NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
9825 | 1oq3 | 5769 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H1 MET 1 6.040 7.259 -20.334 2 2H MET 1 H2 MET 1 5.188 8.573 -20.889 3 3H MET 1 H3 MET 1 4.656 7.020 -21.165 4 HA MET 1 HA MET 1 5.520 7.877 -23.151 5 1HB MET 1 2HB MET 1 8.040 8.438 -21.523 6 2HB MET 1 3HB MET 1 7.984 8.370 -23.295 7 1HG MET 1 2HG MET 1 7.769 10.673 -22.670 8 2HG MET 1 3HG MET 1 6.219 10.118 -23.300 9 1HE MET 1 1HE MET 1 4.567 11.810 -22.386 10 2HE MET 1 2HE MET 1 4.766 12.607 -20.810 11 3HE MET 1 3HE MET 1 6.028 12.773 -22.051 12 H LEU 2 H LEU 2 8.381 6.321 -21.639 13 HA LEU 2 HA LEU 2 7.961 3.933 -23.244 14 1HB LEU 2 2HB LEU 2 9.962 4.836 -21.167 15 2HB LEU 2 3HB LEU 2 9.817 3.116 -21.511 16 HG LEU 2 HG LEU 2 11.610 4.190 -22.772 17 1HD1 LEU 2 1HD1 LEU 2 10.456 2.127 -23.592 18 2HD1 LEU 2 2HD1 LEU 2 9.457 3.141 -24.655 19 3HD1 LEU 2 3HD1 LEU 2 11.211 3.096 -24.867 20 1HD2 LEU 2 1HD2 LEU 2 10.584 6.405 -23.188 21 2HD2 LEU 2 2HD2 LEU 2 11.182 5.644 -24.673 22 3HD2 LEU 2 3HD2 LEU 2 9.445 5.659 -24.335 23 H SER 3 H SER 3 8.345 3.978 -19.625 24 HA SER 3 HA SER 3 6.562 1.794 -19.346 25 1HB SER 3 2HB SER 3 7.195 3.819 -17.164 26 2HB SER 3 3HB SER 3 6.781 2.109 -17.008 27 HG SER 3 HG SER 3 8.941 2.254 -16.806 28 H GLU 4 H GLU 4 4.509 1.822 -18.113 29 HA GLU 4 HA GLU 4 2.909 4.272 -18.237 30 1HB GLU 4 2HB GLU 4 2.278 3.075 -20.267 31 2HB GLU 4 3HB GLU 4 2.050 1.558 -19.367 32 1HG GLU 4 2HG GLU 4 0.170 2.448 -18.163 33 2HG GLU 4 3HG GLU 4 0.581 4.100 -18.648 34 H GLN 5 H GLN 5 2.446 4.558 -16.176 35 HA GLN 5 HA GLN 5 2.606 2.328 -14.256 36 1HB GLN 5 2HB GLN 5 2.811 4.045 -12.591 37 2HB GLN 5 3HB GLN 5 3.925 4.368 -13.920 38 1HG GLN 5 2HG GLN 5 2.109 6.012 -14.805 39 2HG GLN 5 3HG GLN 5 1.331 5.812 -13.228 40 1HE2 GLN 5 1HE2 GLN 5 3.704 5.583 -11.611 41 2HE2 GLN 5 2HE2 GLN 5 4.578 7.090 -11.699 42 H LYS 6 H LYS 6 0.985 2.528 -12.318 43 HA LYS 6 HA LYS 6 -1.577 3.667 -13.064 44 1HB LYS 6 2HB LYS 6 -1.077 0.751 -13.438 45 2HB LYS 6 3HB LYS 6 -2.377 1.076 -12.300 46 1HG LYS 6 2HG LYS 6 -3.237 2.776 -14.128 47 2HG LYS 6 3HG LYS 6 -2.219 1.822 -15.221 48 1HD LYS 6 2HD LYS 6 -3.451 -0.239 -14.435 49 2HD LYS 6 3HD LYS 6 -4.396 0.794 -13.330 50 1HE LYS 6 2HE LYS 6 -5.168 2.129 -15.354 51 2HE LYS 6 3HE LYS 6 -4.407 0.902 -16.385 52 1HZ LYS 6 1HZ LYS 6 -6.733 0.479 -16.071 53 2HZ LYS 6 2HZ LYS 6 -5.876 -0.724 -15.340 54 3HZ LYS 6 3HZ LYS 6 -6.573 0.465 -14.433 55 H GLU 7 H GLU 7 -3.182 3.450 -11.485 56 HA GLU 7 HA GLU 7 -2.211 3.445 -8.697 57 1HB GLU 7 2HB GLU 7 -4.449 4.238 -8.187 58 2HB GLU 7 3HB GLU 7 -3.618 5.314 -9.319 59 1HG GLU 7 2HG GLU 7 -5.522 3.174 -10.301 60 2HG GLU 7 3HG GLU 7 -6.095 4.751 -9.739 61 H ILE 8 H ILE 8 -2.970 1.974 -7.184 62 HA ILE 8 HA ILE 8 -5.015 0.038 -8.058 63 HB ILE 8 HB ILE 8 -2.451 -0.818 -7.811 64 1HG1 ILE 8 2HG1 ILE 8 -3.451 -3.056 -6.959 65 2HG1 ILE 8 3HG1 ILE 8 -5.012 -2.220 -7.037 66 1HG2 ILE 8 1HG2 ILE 8 -3.481 -0.946 -4.965 67 2HG2 ILE 8 2HG2 ILE 8 -2.038 -1.755 -5.570 68 3HG2 ILE 8 3HG2 ILE 8 -2.127 0.018 -5.563 69 1HD1 ILE 8 1HD1 ILE 8 -2.977 -2.607 -9.287 70 2HD1 ILE 8 2HD1 ILE 8 -4.580 -3.359 -9.167 71 3HD1 ILE 8 3HD1 ILE 8 -4.430 -1.612 -9.456 72 H ALA 9 H ALA 9 -6.339 -0.635 -6.197 73 HA ALA 9 HA ALA 9 -6.070 0.932 -3.739 74 1HB ALA 9 1HB ALA 9 -8.605 0.910 -5.425 75 2HB ALA 9 2HB ALA 9 -8.439 1.601 -3.796 76 3HB ALA 9 3HB ALA 9 -7.553 2.319 -5.159 77 H MET 10 H MET 10 -6.512 -0.379 -1.981 78 HA MET 10 HA MET 10 -8.319 -2.647 -2.258 79 1HB MET 10 2HB MET 10 -6.651 -4.351 -1.780 80 2HB MET 10 3HB MET 10 -6.342 -3.594 -3.336 81 1HG MET 10 2HG MET 10 -4.913 -2.113 -1.255 82 2HG MET 10 3HG MET 10 -4.580 -3.830 -1.150 83 1HE MET 10 1HE MET 10 -1.466 -2.043 -2.917 84 2HE MET 10 2HE MET 10 -2.539 -1.367 -1.674 85 3HE MET 10 3HE MET 10 -1.920 -3.032 -1.517 86 H GLN 11 H GLN 11 -8.089 -4.080 -0.152 87 HA GLN 11 HA GLN 11 -8.352 -2.131 2.058 88 1HB GLN 11 2HB GLN 11 -9.245 -4.947 2.439 89 2HB GLN 11 3HB GLN 11 -9.829 -3.443 3.114 90 1HG GLN 11 2HG GLN 11 -11.573 -4.028 1.747 91 2HG GLN 11 3HG GLN 11 -10.696 -2.942 0.666 92 1HE2 GLN 11 1HE2 GLN 11 -10.009 -3.888 -1.332 93 2HE2 GLN 11 2HE2 GLN 11 -9.930 -5.610 -1.620 94 H VAL 12 H VAL 12 -7.490 -2.613 4.118 95 HA VAL 12 HA VAL 12 -5.152 -4.465 4.114 96 HB VAL 12 HB VAL 12 -5.094 -2.113 5.949 97 1HG1 VAL 12 1HG1 VAL 12 -3.283 -3.769 5.971 98 2HG1 VAL 12 2HG1 VAL 12 -3.000 -3.486 4.235 99 3HG1 VAL 12 3HG1 VAL 12 -2.710 -2.192 5.406 100 1HG2 VAL 12 1HG2 VAL 12 -5.755 -0.940 3.927 101 2HG2 VAL 12 2HG2 VAL 12 -4.016 -0.726 4.141 102 3HG2 VAL 12 3HG2 VAL 12 -4.620 -1.926 2.959 103 H SER 13 H SER 13 -4.628 -5.440 6.168 104 HA SER 13 HA SER 13 -6.934 -5.571 8.068 105 1HB SER 13 2HB SER 13 -6.357 -7.604 6.539 106 2HB SER 13 3HB SER 13 -4.916 -7.762 7.550 107 HG SER 13 HG SER 13 -6.285 -8.008 9.356 108 H GLY 14 H GLY 14 -6.400 -4.823 10.042 109 1HA GLY 14 2HA GLY 14 -5.047 -5.231 11.994 110 2HA GLY 14 3HA GLY 14 -3.580 -5.054 11.042 111 H MET 15 H MET 15 -5.379 -2.629 9.750 112 HA MET 15 HA MET 15 -4.007 -0.576 11.097 113 1HB MET 15 2HB MET 15 -5.503 0.971 9.986 114 2HB MET 15 3HB MET 15 -4.935 -0.268 8.856 115 1HG MET 15 2HG MET 15 -7.580 -0.696 10.242 116 2HG MET 15 3HG MET 15 -7.508 0.521 8.999 117 1HE MET 15 1HE MET 15 -6.219 -0.186 6.590 118 2HE MET 15 2HE MET 15 -7.342 -1.312 5.774 119 3HE MET 15 3HE MET 15 -7.977 0.079 6.656 120 H THR 16 H THR 16 -4.607 0.959 12.656 121 HA THR 16 HA THR 16 -7.102 0.512 14.236 122 HB THR 16 HB THR 16 -5.470 1.158 16.175 123 HG1 THR 16 1HG THR 16 -3.368 1.074 15.676 124 1HG2 THR 16 1HG2 THR 16 -5.117 -1.540 14.794 125 2HG2 THR 16 2HG2 THR 16 -4.792 -1.171 16.496 126 3HG2 THR 16 3HG2 THR 16 -6.454 -1.111 15.879 127 H CYS 17 H CYS 17 -6.593 2.372 12.042 128 HA CYS 17 HA CYS 17 -6.969 4.509 11.503 129 1HB CYS 17 2HB CYS 17 -8.959 4.028 13.038 130 2HB CYS 17 3HB CYS 17 -8.147 5.061 14.233 131 HG CYS 17 HG CYS 17 -8.900 5.688 11.060 132 H ALA 18 H ALA 18 -6.811 6.768 13.679 133 HA ALA 18 HA ALA 18 -5.198 8.346 14.061 134 1HB ALA 18 1HB ALA 18 -4.094 7.720 16.146 135 2HB ALA 18 2HB ALA 18 -5.755 7.103 16.103 136 3HB ALA 18 3HB ALA 18 -4.393 5.999 15.811 137 H ALA 19 H ALA 19 -4.303 7.648 11.694 138 HA ALA 19 HA ALA 19 -2.505 7.732 10.329 139 1HB ALA 19 1HB ALA 19 -0.955 8.657 12.781 140 2HB ALA 19 2HB ALA 19 -0.553 8.952 11.080 141 3HB ALA 19 3HB ALA 19 -2.004 9.691 11.785 142 H CYS 20 H CYS 20 -2.930 5.185 11.995 143 HA CYS 20 HA CYS 20 -0.290 3.969 12.195 144 1HB CYS 20 2HB CYS 20 -3.103 2.802 12.323 145 2HB CYS 20 3HB CYS 20 -1.629 1.829 12.417 146 HG CYS 20 HG CYS 20 -0.534 3.075 14.391 147 H ALA 21 H ALA 21 -3.101 3.319 10.030 148 HA ALA 21 HA ALA 21 -1.730 1.661 8.285 149 1HB ALA 21 1HB ALA 21 -3.523 2.076 6.676 150 2HB ALA 21 2HB ALA 21 -4.163 1.900 8.323 151 3HB ALA 21 3HB ALA 21 -4.002 3.516 7.603 152 H ALA 22 H ALA 22 -1.916 5.171 8.281 153 HA ALA 22 HA ALA 22 -0.743 5.847 5.838 154 1HB ALA 22 1HB ALA 22 -1.592 7.474 7.489 155 2HB ALA 22 2HB ALA 22 -0.352 6.988 8.652 156 3HB ALA 22 3HB ALA 22 0.121 7.832 7.150 157 H ARG 23 H ARG 23 0.887 4.561 8.790 158 HA ARG 23 HA ARG 23 3.584 4.951 7.804 159 1HB ARG 23 2HB ARG 23 2.451 3.051 9.895 160 2HB ARG 23 3HB ARG 23 4.149 3.242 9.525 161 1HG ARG 23 2HG ARG 23 3.024 5.891 9.877 162 2HG ARG 23 3HG ARG 23 2.470 4.887 11.215 163 1HD ARG 23 2HD ARG 23 4.723 4.475 11.965 164 2HD ARG 23 3HD ARG 23 5.394 4.832 10.377 165 HE ARG 23 HE ARG 23 5.686 6.953 10.897 166 1HH1 ARG 23 2HH2 ARG 23 3.104 5.788 12.976 167 2HH1 ARG 23 1HH2 ARG 23 2.963 7.242 13.915 168 1HH2 ARG 23 2HH1 ARG 23 5.561 8.902 12.106 169 2HH2 ARG 23 1HH1 ARG 23 4.413 9.066 13.392 170 H ILE 24 H ILE 24 1.173 2.362 7.516 171 HA ILE 24 HA ILE 24 2.836 0.303 6.500 172 HB ILE 24 HB ILE 24 -0.072 0.872 5.724 173 1HG1 ILE 24 2HG1 ILE 24 1.001 -0.844 7.979 174 2HG1 ILE 24 3HG1 ILE 24 0.257 0.724 8.231 175 1HG2 ILE 24 1HG2 ILE 24 -0.183 -1.494 5.220 176 2HG2 ILE 24 2HG2 ILE 24 1.038 -0.672 4.267 177 3HG2 ILE 24 3HG2 ILE 24 1.531 -1.674 5.668 178 1HD1 ILE 24 1HD1 ILE 24 -1.094 -1.801 7.232 179 2HD1 ILE 24 2HD1 ILE 24 -1.516 -0.779 8.614 180 3HD1 ILE 24 3HD1 ILE 24 -1.812 -0.205 6.965 181 H GLU 25 H GLU 25 0.759 2.687 4.798 182 HA GLU 25 HA GLU 25 1.878 1.891 2.308 183 1HB GLU 25 2HB GLU 25 -0.397 3.325 3.068 184 2HB GLU 25 3HB GLU 25 0.600 4.548 2.296 185 1HG GLU 25 2HG GLU 25 -0.692 3.513 0.517 186 2HG GLU 25 3HG GLU 25 0.961 2.932 0.339 187 H LYS 26 H LYS 26 2.681 4.604 4.527 188 HA LYS 26 HA LYS 26 4.403 5.976 2.773 189 1HB LYS 26 2HB LYS 26 4.220 5.630 5.764 190 2HB LYS 26 3HB LYS 26 5.622 6.412 5.095 191 1HG LYS 26 2HG LYS 26 2.792 7.328 4.438 192 2HG LYS 26 3HG LYS 26 3.734 7.947 5.803 193 1HD LYS 26 2HD LYS 26 5.592 8.561 4.121 194 2HD LYS 26 3HD LYS 26 4.473 8.114 2.840 195 1HE LYS 26 2HE LYS 26 4.207 10.421 2.944 196 2HE LYS 26 3HE LYS 26 2.818 9.820 3.857 197 1HZ LYS 26 1HZ LYS 26 5.347 10.860 4.979 198 2HZ LYS 26 2HZ LYS 26 3.901 11.634 4.969 199 3HZ LYS 26 3HZ LYS 26 4.096 10.281 5.879 200 H GLY 27 H GLY 27 4.948 3.007 4.693 201 1HA GLY 27 2HA GLY 27 7.694 2.620 4.059 202 2HA GLY 27 3HA GLY 27 6.496 1.342 4.279 203 H LEU 28 H LEU 28 4.690 1.785 2.154 204 HA LEU 28 HA LEU 28 6.210 0.713 -0.043 205 1HB LEU 28 2HB LEU 28 3.367 1.716 0.089 206 2HB LEU 28 3HB LEU 28 4.098 0.912 -1.302 207 HG LEU 28 HG LEU 28 3.879 -0.343 1.451 208 1HD1 LEU 28 1HD1 LEU 28 2.117 -1.703 0.109 209 2HD1 LEU 28 2HD1 LEU 28 1.730 -0.073 0.675 210 3HD1 LEU 28 3HD1 LEU 28 2.130 -0.341 -1.023 211 1HD2 LEU 28 1HD2 LEU 28 5.061 -1.350 -1.146 212 2HD2 LEU 28 2HD2 LEU 28 5.695 -1.436 0.496 213 3HD2 LEU 28 3HD2 LEU 28 4.339 -2.461 0.041 214 H LYS 29 H LYS 29 5.116 4.008 0.720 215 HA LYS 29 HA LYS 29 5.792 5.126 -1.807 216 1HB LYS 29 2HB LYS 29 4.492 6.410 -0.397 217 2HB LYS 29 3HB LYS 29 5.647 6.396 0.924 218 1HG LYS 29 2HG LYS 29 7.216 7.780 -0.257 219 2HG LYS 29 3HG LYS 29 6.332 7.608 -1.775 220 1HD LYS 29 2HD LYS 29 5.361 9.109 0.695 221 2HD LYS 29 3HD LYS 29 6.035 9.806 -0.785 222 1HE LYS 29 2HE LYS 29 4.022 8.224 -1.822 223 2HE LYS 29 3HE LYS 29 3.303 8.673 -0.276 224 1HZ LYS 29 1HZ LYS 29 2.704 10.211 -1.954 225 2HZ LYS 29 2HZ LYS 29 3.685 11.012 -0.924 226 3HZ LYS 29 3HZ LYS 29 4.244 10.498 -2.397 227 H ARG 30 H ARG 30 7.890 3.701 0.571 228 HA ARG 30 HA ARG 30 10.287 4.910 -0.728 229 1HB ARG 30 2HB ARG 30 9.714 3.527 1.865 230 2HB ARG 30 3HB ARG 30 11.308 3.296 1.176 231 1HG ARG 30 2HG ARG 30 11.668 5.727 1.042 232 2HG ARG 30 3HG ARG 30 9.984 6.019 1.500 233 1HD ARG 30 2HD ARG 30 11.323 6.428 3.423 234 2HD ARG 30 3HD ARG 30 10.391 4.935 3.695 235 HE ARG 30 HE ARG 30 12.980 4.341 2.582 236 1HH1 ARG 30 2HH2 ARG 30 11.431 5.352 5.570 237 2HH1 ARG 30 1HH2 ARG 30 12.701 4.815 6.628 238 1HH2 ARG 30 2HH1 ARG 30 14.741 3.643 3.946 239 2HH2 ARG 30 1HH1 ARG 30 14.632 3.817 5.666 240 H MET 31 H MET 31 8.269 2.418 -1.684 241 HA MET 31 HA MET 31 10.431 0.575 -2.354 242 1HB MET 31 2HB MET 31 7.486 0.607 -3.038 243 2HB MET 31 3HB MET 31 8.614 -0.592 -3.670 244 1HG MET 31 2HG MET 31 8.134 -0.126 -0.703 245 2HG MET 31 3HG MET 31 7.406 -1.387 -1.702 246 1HE MET 31 1HE MET 31 10.952 -0.039 -0.349 247 2HE MET 31 2HE MET 31 9.881 -0.742 0.878 248 3HE MET 31 3HE MET 31 11.380 -1.580 0.412 249 HA PRO 32 HA PRO 32 11.741 2.632 -6.013 250 1HB PRO 32 2HB PRO 32 13.039 0.610 -7.325 251 2HB PRO 32 3HB PRO 32 13.650 1.309 -5.799 252 1HG PRO 32 2HG PRO 32 11.985 -1.209 -6.133 253 2HG PRO 32 3HG PRO 32 13.507 -1.024 -5.221 254 1HD PRO 32 2HD PRO 32 11.102 -0.888 -3.994 255 2HD PRO 32 3HD PRO 32 12.423 0.220 -3.509 256 H GLY 33 H GLY 33 9.701 3.135 -7.077 257 1HA GLY 33 2HA GLY 33 9.063 2.552 -9.541 258 2HA GLY 33 3HA GLY 33 8.524 1.042 -8.839 259 H VAL 34 H VAL 34 7.937 2.805 -6.242 260 HA VAL 34 HA VAL 34 5.173 3.297 -6.836 261 HB VAL 34 HB VAL 34 6.301 2.626 -4.643 262 1HG1 VAL 34 1HG1 VAL 34 6.645 5.595 -4.152 263 2HG1 VAL 34 2HG1 VAL 34 7.340 4.190 -3.309 264 3HG1 VAL 34 3HG1 VAL 34 7.963 4.658 -4.874 265 1HG2 VAL 34 1HG2 VAL 34 3.926 3.207 -4.818 266 2HG2 VAL 34 2HG2 VAL 34 4.618 3.712 -3.273 267 3HG2 VAL 34 3HG2 VAL 34 4.304 4.922 -4.535 268 H THR 35 H THR 35 4.116 5.320 -6.923 269 HA THR 35 HA THR 35 5.790 7.735 -7.458 270 HB THR 35 HB THR 35 3.040 8.101 -8.274 271 HG1 THR 35 1HG THR 35 4.328 5.774 -9.243 272 1HG2 THR 35 1HG2 THR 35 4.062 8.614 -10.409 273 2HG2 THR 35 2HG2 THR 35 5.046 9.306 -9.117 274 3HG2 THR 35 3HG2 THR 35 5.588 7.819 -9.925 275 H ASP 36 H ASP 36 2.634 6.666 -6.051 276 HA ASP 36 HA ASP 36 3.076 8.506 -3.813 277 1HB ASP 36 2HB ASP 36 1.906 9.970 -5.391 278 2HB ASP 36 3HB ASP 36 0.648 8.739 -5.634 279 H ALA 37 H ALA 37 1.472 8.186 -2.108 280 HA ALA 37 HA ALA 37 0.059 5.583 -2.056 281 1HB ALA 37 1HB ALA 37 2.101 6.543 0.002 282 2HB ALA 37 2HB ALA 37 0.970 5.209 0.219 283 3HB ALA 37 3HB ALA 37 2.235 5.089 -1.020 284 H ASN 38 H ASN 38 -2.008 5.989 -1.239 285 HA ASN 38 HA ASN 38 -2.436 8.380 0.461 286 1HB ASN 38 2HB ASN 38 -3.122 8.184 -2.378 287 2HB ASN 38 3HB ASN 38 -4.578 8.307 -1.390 288 1HD2 ASN 38 1HD2 ASN 38 -1.795 10.121 -2.622 289 2HD2 ASN 38 2HD2 ASN 38 -2.259 11.600 -1.811 290 H VAL 39 H VAL 39 -3.366 7.628 2.213 291 HA VAL 39 HA VAL 39 -4.818 5.076 2.175 292 HB VAL 39 HB VAL 39 -2.961 5.528 3.725 293 1HG1 VAL 39 1HG1 VAL 39 -3.391 7.918 4.251 294 2HG1 VAL 39 2HG1 VAL 39 -4.869 7.454 5.121 295 3HG1 VAL 39 3HG1 VAL 39 -3.286 6.914 5.701 296 1HG2 VAL 39 1HG2 VAL 39 -4.070 4.614 5.707 297 2HG2 VAL 39 2HG2 VAL 39 -5.657 4.955 4.987 298 3HG2 VAL 39 3HG2 VAL 39 -4.565 3.784 4.225 299 H ASN 40 H ASN 40 -6.930 4.695 2.711 300 HA ASN 40 HA ASN 40 -8.683 7.009 3.204 301 1HB ASN 40 2HB ASN 40 -8.643 6.312 0.763 302 2HB ASN 40 3HB ASN 40 -9.312 4.752 1.249 303 1HD2 ASN 40 1HD2 ASN 40 -11.240 5.314 -0.072 304 2HD2 ASN 40 2HD2 ASN 40 -12.464 6.323 0.674 305 H LEU 41 H LEU 41 -8.200 6.008 5.400 306 HA LEU 41 HA LEU 41 -9.408 3.497 6.062 307 1HB LEU 41 2HB LEU 41 -8.801 5.868 7.870 308 2HB LEU 41 3HB LEU 41 -9.213 4.228 8.389 309 HG LEU 41 HG LEU 41 -6.733 5.143 6.903 310 1HD1 LEU 41 1HD1 LEU 41 -5.582 4.309 8.896 311 2HD1 LEU 41 2HD1 LEU 41 -6.884 5.398 9.389 312 3HD1 LEU 41 3HD1 LEU 41 -7.099 3.624 9.503 313 1HD2 LEU 41 1HD2 LEU 41 -7.263 3.010 5.847 314 2HD2 LEU 41 2HD2 LEU 41 -6.065 2.646 7.075 315 3HD2 LEU 41 3HD2 LEU 41 -7.766 2.315 7.408 316 H ALA 42 H ALA 42 -10.892 6.470 5.357 317 HA ALA 42 HA ALA 42 -13.341 6.237 6.821 318 1HB ALA 42 1HB ALA 42 -12.899 7.236 3.976 319 2HB ALA 42 2HB ALA 42 -14.286 7.586 5.018 320 3HB ALA 42 3HB ALA 42 -12.683 8.223 5.440 321 H THR 43 H THR 43 -11.914 4.404 4.188 322 HA THR 43 HA THR 43 -14.343 2.684 4.001 323 HB THR 43 HB THR 43 -12.346 3.445 1.818 324 HG1 THR 43 1HG THR 43 -14.788 4.577 2.624 325 1HG2 THR 43 1HG2 THR 43 -15.046 2.046 1.753 326 2HG2 THR 43 2HG2 THR 43 -14.256 2.753 0.322 327 3HG2 THR 43 3HG2 THR 43 -13.480 1.417 1.178 328 H GLU 44 H GLU 44 -11.737 2.629 5.710 329 HA GLU 44 HA GLU 44 -9.967 1.274 6.190 330 1HB GLU 44 2HB GLU 44 -12.101 -0.793 5.546 331 2HB GLU 44 3HB GLU 44 -10.632 -1.096 6.484 332 1HG GLU 44 2HG GLU 44 -11.313 0.579 8.163 333 2HG GLU 44 3HG GLU 44 -12.795 0.920 7.250 334 H THR 45 H THR 45 -9.607 2.251 3.605 335 HA THR 45 HA THR 45 -8.438 -0.023 2.102 336 HB THR 45 HB THR 45 -10.478 2.050 1.181 337 HG1 THR 45 1HG THR 45 -11.312 0.112 2.007 338 1HG2 THR 45 1HG2 THR 45 -8.761 1.911 -0.620 339 2HG2 THR 45 2HG2 THR 45 -8.995 0.147 -0.663 340 3HG2 THR 45 3HG2 THR 45 -10.321 1.223 -1.086 341 H VAL 46 H VAL 46 -6.767 0.610 0.708 342 HA VAL 46 HA VAL 46 -5.876 3.445 0.935 343 HB VAL 46 HB VAL 46 -4.667 2.165 2.572 344 1HG1 VAL 46 1HG1 VAL 46 -3.172 0.290 1.983 345 2HG1 VAL 46 2HG1 VAL 46 -4.836 -0.124 1.541 346 3HG1 VAL 46 3HG1 VAL 46 -3.683 0.366 0.291 347 1HG2 VAL 46 1HG2 VAL 46 -2.467 2.778 1.984 348 2HG2 VAL 46 2HG2 VAL 46 -2.768 2.554 0.234 349 3HG2 VAL 46 3HG2 VAL 46 -3.454 3.924 1.089 350 H ASN 47 H ASN 47 -4.681 4.200 -0.869 351 HA ASN 47 HA ASN 47 -4.630 2.359 -3.162 352 1HB ASN 47 2HB ASN 47 -5.396 3.962 -4.694 353 2HB ASN 47 3HB ASN 47 -6.508 4.132 -3.340 354 1HD2 ASN 47 1HD2 ASN 47 -3.620 5.550 -4.964 355 2HD2 ASN 47 2HD2 ASN 47 -3.885 7.165 -4.338 356 H VAL 48 H VAL 48 -2.912 2.640 -4.576 357 HA VAL 48 HA VAL 48 -0.800 4.497 -3.832 358 HB VAL 48 HB VAL 48 -0.409 2.729 -2.202 359 1HG1 VAL 48 1HG1 VAL 48 -1.491 0.826 -3.317 360 2HG1 VAL 48 2HG1 VAL 48 -0.186 0.798 -4.532 361 3HG1 VAL 48 3HG1 VAL 48 0.160 0.443 -2.826 362 1HG2 VAL 48 1HG2 VAL 48 1.593 3.777 -3.066 363 2HG2 VAL 48 2HG2 VAL 48 1.901 2.065 -2.799 364 3HG2 VAL 48 3HG2 VAL 48 1.640 2.659 -4.449 365 H ILE 49 H ILE 49 0.571 4.880 -5.503 366 HA ILE 49 HA ILE 49 -0.291 3.809 -8.136 367 HB ILE 49 HB ILE 49 1.031 6.487 -7.621 368 1HG1 ILE 49 2HG1 ILE 49 -1.942 5.828 -7.634 369 2HG1 ILE 49 3HG1 ILE 49 -1.007 6.601 -6.345 370 1HG2 ILE 49 1HG2 ILE 49 -0.715 5.537 -9.932 371 2HG2 ILE 49 2HG2 ILE 49 0.271 7.013 -9.860 372 3HG2 ILE 49 3HG2 ILE 49 1.056 5.440 -9.944 373 1HD1 ILE 49 1HD1 ILE 49 -1.734 7.812 -9.032 374 2HD1 ILE 49 2HD1 ILE 49 -2.263 8.311 -7.420 375 3HD1 ILE 49 3HD1 ILE 49 -0.568 8.538 -7.897 376 H TYR 50 H TYR 50 1.200 2.829 -9.383 377 HA TYR 50 HA TYR 50 4.043 3.248 -8.834 378 1HB TYR 50 2HB TYR 50 4.424 0.733 -8.489 379 2HB TYR 50 3HB TYR 50 3.793 1.611 -7.130 380 HD1 TYR 50 HD1 TYR 50 1.836 0.729 -6.059 381 HD2 TYR 50 HD2 TYR 50 2.653 -0.413 -10.138 382 HE1 TYR 50 HE1 TYR 50 0.142 -1.062 -5.914 383 HE2 TYR 50 HE2 TYR 50 0.884 -2.116 -10.021 384 HH TYR 50 HH TYR 50 -1.028 -2.711 -7.094 385 H ASP 51 H ASP 51 5.454 1.869 -10.211 386 HA ASP 51 HA ASP 51 4.290 1.736 -12.909 387 1HB ASP 51 2HB ASP 51 6.288 3.155 -12.189 388 2HB ASP 51 3HB ASP 51 7.218 1.687 -12.112 389 HA PRO 52 HA PRO 52 4.662 -2.777 -12.084 390 1HB PRO 52 2HB PRO 52 3.092 -3.747 -14.043 391 2HB PRO 52 3HB PRO 52 2.415 -2.794 -12.695 392 1HG PRO 52 2HG PRO 52 3.202 -1.767 -15.441 393 2HG PRO 52 3HG PRO 52 1.625 -1.563 -14.623 394 1HD PRO 52 2HD PRO 52 3.606 0.315 -14.527 395 2HD PRO 52 3HD PRO 52 2.529 0.032 -13.116 396 H ALA 53 H ALA 53 6.729 -1.224 -13.507 397 HA ALA 53 HA ALA 53 7.802 -3.287 -15.386 398 1HB ALA 53 1HB ALA 53 8.786 -0.469 -14.738 399 2HB ALA 53 2HB ALA 53 9.501 -1.597 -15.906 400 3HB ALA 53 3HB ALA 53 7.878 -0.932 -16.190 401 H GLU 54 H GLU 54 8.502 -1.218 -12.560 402 HA GLU 54 HA GLU 54 10.511 -3.071 -11.455 403 1HB GLU 54 2HB GLU 54 9.340 -0.408 -10.511 404 2HB GLU 54 3HB GLU 54 10.607 -1.298 -9.700 405 1HG GLU 54 2HG GLU 54 11.546 -1.107 -12.355 406 2HG GLU 54 3HG GLU 54 10.742 0.443 -12.081 407 H THR 55 H THR 55 7.285 -1.781 -10.763 408 HA THR 55 HA THR 55 7.113 -3.366 -8.291 409 HB THR 55 HB THR 55 6.822 -0.459 -8.762 410 HG1 THR 55 1HG THR 55 8.839 -0.617 -7.633 411 1HG2 THR 55 1HG2 THR 55 5.394 -1.006 -6.906 412 2HG2 THR 55 2HG2 THR 55 6.593 -2.146 -6.207 413 3HG2 THR 55 3HG2 THR 55 6.903 -0.375 -6.240 414 H GLY 56 H GLY 56 5.311 -4.108 -7.497 415 1HA GLY 56 2HA GLY 56 2.952 -2.707 -7.582 416 2HA GLY 56 3HA GLY 56 2.768 -4.044 -8.751 417 H THR 57 H THR 57 1.199 -4.761 -7.284 418 HA THR 57 HA THR 57 1.109 -5.378 -4.673 419 HB THR 57 HB THR 57 -0.794 -5.635 -5.810 420 HG1 THR 57 1HG THR 57 -0.191 -8.356 -5.492 421 1HG2 THR 57 1HG2 THR 57 0.510 -7.539 -7.783 422 2HG2 THR 57 2HG2 THR 57 -1.240 -7.276 -7.626 423 3HG2 THR 57 3HG2 THR 57 -0.202 -5.937 -8.096 424 H ALA 58 H ALA 58 2.789 -7.440 -7.069 425 HA ALA 58 HA ALA 58 3.585 -9.590 -5.510 426 1HB ALA 58 1HB ALA 58 4.089 -9.372 -7.906 427 2HB ALA 58 2HB ALA 58 5.221 -8.044 -7.572 428 3HB ALA 58 3HB ALA 58 5.575 -9.680 -6.987 429 H ALA 59 H ALA 59 5.198 -6.367 -5.645 430 HA ALA 59 HA ALA 59 7.327 -7.266 -3.774 431 1HB ALA 59 1HB ALA 59 7.974 -5.792 -5.662 432 2HB ALA 59 2HB ALA 59 6.802 -4.571 -5.118 433 3HB ALA 59 3HB ALA 59 8.199 -4.979 -4.101 434 H ILE 60 H ILE 60 4.387 -5.386 -4.040 435 HA ILE 60 HA ILE 60 4.739 -3.918 -1.662 436 HB ILE 60 HB ILE 60 2.690 -4.299 -3.751 437 1HG1 ILE 60 2HG1 ILE 60 3.261 -1.876 -2.139 438 2HG1 ILE 60 3HG1 ILE 60 4.476 -2.440 -3.301 439 1HG2 ILE 60 1HG2 ILE 60 1.101 -4.755 -2.059 440 2HG2 ILE 60 2HG2 ILE 60 1.790 -3.563 -0.954 441 3HG2 ILE 60 3HG2 ILE 60 0.924 -3.044 -2.409 442 1HD1 ILE 60 1HD1 ILE 60 2.886 -2.253 -5.144 443 2HD1 ILE 60 2HD1 ILE 60 1.617 -1.683 -4.038 444 3HD1 ILE 60 3HD1 ILE 60 3.072 -0.706 -4.301 445 H GLN 61 H GLN 61 2.682 -6.879 -2.192 446 HA GLN 61 HA GLN 61 1.815 -7.115 0.488 447 1HB GLN 61 2HB GLN 61 2.314 -9.090 -1.729 448 2HB GLN 61 3HB GLN 61 2.218 -9.693 -0.068 449 1HG GLN 61 2HG GLN 61 0.063 -9.966 -0.678 450 2HG GLN 61 3HG GLN 61 0.002 -8.426 0.148 451 1HE2 GLN 61 1HE2 GLN 61 0.509 -6.518 -1.546 452 2HE2 GLN 61 2HE2 GLN 61 -0.362 -6.678 -3.076 453 H GLU 62 H GLU 62 4.761 -8.419 -1.006 454 HA GLU 62 HA GLU 62 5.921 -9.673 1.154 455 1HB GLU 62 2HB GLU 62 6.657 -8.986 -1.463 456 2HB GLU 62 3HB GLU 62 7.792 -8.011 -0.547 457 1HG GLU 62 2HG GLU 62 7.370 -11.027 -0.233 458 2HG GLU 62 3HG GLU 62 8.581 -10.267 -1.278 459 H LYS 63 H LYS 63 6.235 -6.161 0.368 460 HA LYS 63 HA LYS 63 7.737 -5.770 2.825 461 1HB LYS 63 2HB LYS 63 7.102 -4.199 0.463 462 2HB LYS 63 3HB LYS 63 6.681 -3.309 1.916 463 1HG LYS 63 2HG LYS 63 9.010 -2.887 1.330 464 2HG LYS 63 3HG LYS 63 8.957 -3.755 2.854 465 1HD LYS 63 2HD LYS 63 9.024 -5.665 0.636 466 2HD LYS 63 3HD LYS 63 10.306 -4.485 0.399 467 1HE LYS 63 2HE LYS 63 11.364 -5.029 2.479 468 2HE LYS 63 3HE LYS 63 9.943 -5.894 3.084 469 1HZ LYS 63 1HZ LYS 63 11.547 -6.845 0.808 470 2HZ LYS 63 2HZ LYS 63 11.616 -7.434 2.344 471 3HZ LYS 63 3HZ LYS 63 10.259 -7.583 1.474 472 H ILE 64 H ILE 64 4.280 -5.363 1.910 473 HA ILE 64 HA ILE 64 3.505 -3.972 4.143 474 HB ILE 64 HB ILE 64 1.963 -6.000 2.474 475 1HG1 ILE 64 2HG1 ILE 64 2.570 -4.018 1.186 476 2HG1 ILE 64 3HG1 ILE 64 0.853 -4.062 1.537 477 1HG2 ILE 64 1HG2 ILE 64 1.243 -4.445 4.934 478 2HG2 ILE 64 2HG2 ILE 64 0.077 -4.399 3.635 479 3HG2 ILE 64 3HG2 ILE 64 0.578 -5.972 4.293 480 1HD1 ILE 64 1HD1 ILE 64 2.998 -2.236 2.481 481 2HD1 ILE 64 2HD1 ILE 64 1.269 -1.902 2.128 482 3HD1 ILE 64 3HD1 ILE 64 1.743 -2.645 3.654 483 H GLU 65 H GLU 65 3.838 -7.551 3.680 484 HA GLU 65 HA GLU 65 3.012 -8.489 6.207 485 1HB GLU 65 2HB GLU 65 5.043 -9.328 4.151 486 2HB GLU 65 3HB GLU 65 4.930 -10.207 5.686 487 1HG GLU 65 2HG GLU 65 2.396 -9.703 4.117 488 2HG GLU 65 3HG GLU 65 3.522 -10.954 3.575 489 H LYS 66 H LYS 66 6.139 -6.982 5.273 490 HA LYS 66 HA LYS 66 7.291 -7.490 7.877 491 1HB LYS 66 2HB LYS 66 8.444 -7.413 5.605 492 2HB LYS 66 3HB LYS 66 8.405 -5.651 5.771 493 1HG LYS 66 2HG LYS 66 9.850 -5.681 7.629 494 2HG LYS 66 3HG LYS 66 9.475 -7.336 8.085 495 1HD LYS 66 2HD LYS 66 10.864 -6.719 5.463 496 2HD LYS 66 3HD LYS 66 11.805 -6.787 6.953 497 1HE LYS 66 2HE LYS 66 9.995 -9.080 6.016 498 2HE LYS 66 3HE LYS 66 11.701 -8.956 5.579 499 1HZ LYS 66 1HZ LYS 66 12.277 -9.053 7.887 500 2HZ LYS 66 2HZ LYS 66 10.696 -9.119 8.342 501 3HZ LYS 66 3HZ LYS 66 11.356 -10.352 7.485 502 H LEU 67 H LEU 67 5.699 -4.721 6.251 503 HA LEU 67 HA LEU 67 6.126 -2.814 8.331 504 1HB LEU 67 2HB LEU 67 3.953 -3.319 6.273 505 2HB LEU 67 3HB LEU 67 3.668 -2.161 7.533 506 HG LEU 67 HG LEU 67 4.398 -1.144 5.504 507 1HD1 LEU 67 1HD1 LEU 67 6.609 -0.813 7.561 508 2HD1 LEU 67 2HD1 LEU 67 5.966 0.409 6.449 509 3HD1 LEU 67 3HD1 LEU 67 4.962 -0.176 7.789 510 1HD2 LEU 67 1HD2 LEU 67 6.731 -1.216 4.711 511 2HD2 LEU 67 2HD2 LEU 67 7.029 -2.616 5.758 512 3HD2 LEU 67 3HD2 LEU 67 5.816 -2.697 4.448 513 H GLY 68 H GLY 68 4.284 -5.797 8.243 514 1HA GLY 68 2HA GLY 68 3.839 -6.966 10.226 515 2HA GLY 68 3HA GLY 68 3.703 -5.458 11.139 516 H TYR 69 H TYR 69 2.202 -5.999 7.932 517 HA TYR 69 HA TYR 69 -0.475 -6.386 9.171 518 1HB TYR 69 2HB TYR 69 0.206 -4.207 7.149 519 2HB TYR 69 3HB TYR 69 -1.404 -4.613 7.729 520 HD1 TYR 69 HD1 TYR 69 1.904 -3.244 8.730 521 HD2 TYR 69 HD2 TYR 69 -2.252 -3.617 9.747 522 HE1 TYR 69 HE1 TYR 69 2.248 -1.710 10.627 523 HE2 TYR 69 HE2 TYR 69 -1.935 -2.002 11.610 524 HH TYR 69 HH TYR 69 -0.443 -0.747 12.798 525 H HIS 70 H HIS 70 -2.020 -7.055 7.423 526 HA HIS 70 HA HIS 70 -0.609 -8.194 5.046 527 1HB HIS 70 2HB HIS 70 -1.322 -10.195 5.545 528 2HB HIS 70 3HB HIS 70 -2.087 -9.637 7.020 529 HD1 HIS 70 1HD HIS 70 -3.144 -9.454 3.239 530 HD2 HIS 70 2HD HIS 70 -4.622 -10.080 7.140 531 HE1 HIS 70 1HE HIS 70 -5.619 -9.641 3.051 532 H VAL 71 H VAL 71 -1.322 -7.418 3.225 533 HA VAL 71 HA VAL 71 -3.828 -5.793 3.175 534 HB VAL 71 HB VAL 71 -1.629 -4.773 2.446 535 1HG1 VAL 71 1HG1 VAL 71 -0.871 -5.199 0.167 536 2HG1 VAL 71 2HG1 VAL 71 -0.769 -6.676 1.142 537 3HG1 VAL 71 3HG1 VAL 71 -2.094 -6.464 -0.044 538 1HG2 VAL 71 1HG2 VAL 71 -2.651 -3.605 0.544 539 2HG2 VAL 71 2HG2 VAL 71 -3.956 -4.818 0.576 540 3HG2 VAL 71 3HG2 VAL 71 -3.717 -3.725 1.952 541 H VAL 72 H VAL 72 -5.454 -6.204 1.575 542 HA VAL 72 HA VAL 72 -5.296 -8.903 0.212 543 HB VAL 72 HB VAL 72 -7.805 -8.238 -0.267 544 1HG1 VAL 72 1HG1 VAL 72 -6.780 -10.245 1.168 545 2HG1 VAL 72 2HG1 VAL 72 -7.638 -9.347 2.455 546 3HG1 VAL 72 3HG1 VAL 72 -8.506 -9.895 1.025 547 1HG2 VAL 72 1HG2 VAL 72 -7.857 -6.133 0.897 548 2HG2 VAL 72 2HG2 VAL 72 -8.943 -7.305 1.676 549 3HG2 VAL 72 3HG2 VAL 72 -7.401 -6.918 2.442 550 H ILE 73 H ILE 73 -6.203 -9.023 -1.914 551 HA ILE 73 HA ILE 73 -6.041 -6.474 -3.439 552 HB ILE 73 HB ILE 73 -5.311 -9.287 -4.353 553 1HG1 ILE 73 2HG1 ILE 73 -3.557 -8.281 -2.908 554 2HG1 ILE 73 3HG1 ILE 73 -3.053 -8.537 -4.563 555 1HG2 ILE 73 1HG2 ILE 73 -5.362 -6.633 -5.859 556 2HG2 ILE 73 2HG2 ILE 73 -4.620 -8.134 -6.463 557 3HG2 ILE 73 3HG2 ILE 73 -6.361 -8.059 -6.164 558 1HD1 ILE 73 1HD1 ILE 73 -2.290 -6.354 -3.609 559 2HD1 ILE 73 2HD1 ILE 73 -3.273 -6.135 -5.060 560 3HD1 ILE 73 3HD1 ILE 73 -3.957 -5.831 -3.448 561 H GLU 74 H GLU 74 -8.069 -5.978 -3.442 562 HA GLU 74 HA GLU 74 -10.331 -7.574 -3.357 563 1HB GLU 74 2HB GLU 74 -9.998 -4.873 -3.510 564 2HB GLU 74 3HB GLU 74 -10.534 -5.159 -5.143 565 1HG GLU 74 2HG GLU 74 -12.521 -6.405 -4.279 566 2HG GLU 74 3HG GLU 74 -12.006 -6.056 -2.619 567 H GLY 75 H GLY 75 -10.287 -9.452 -4.584 568 1HA GLY 75 2HA GLY 75 -10.988 -10.707 -6.390 569 2HA GLY 75 3HA GLY 75 -11.286 -9.215 -7.300 570 H ARG 76 H ARG 76 -10.370 -10.872 -8.873 571 HA ARG 76 HA ARG 76 -8.837 -11.293 -10.453 572 1HB ARG 76 2HB ARG 76 -7.764 -8.918 -9.624 573 2HB ARG 76 3HB ARG 76 -6.508 -10.022 -9.058 574 1HG ARG 76 2HG ARG 76 -5.793 -9.535 -11.212 575 2HG ARG 76 3HG ARG 76 -6.667 -11.050 -11.468 576 1HD ARG 76 2HD ARG 76 -8.758 -9.492 -11.872 577 2HD ARG 76 3HD ARG 76 -7.596 -8.196 -12.093 578 HE ARG 76 HE ARG 76 -8.355 -10.282 -13.916 579 1HH1 ARG 76 2HH2 ARG 76 -5.501 -8.500 -12.938 580 2HH1 ARG 76 1HH2 ARG 76 -4.678 -8.608 -14.466 581 1HH2 ARG 76 2HH1 ARG 76 -7.356 -10.417 -15.991 582 2HH2 ARG 76 1HH1 ARG 76 -5.789 -9.728 -16.260 Start of MODEL 2 1 1H MET 1 H1 MET 1 3.651 3.537 -22.948 2 2H MET 1 H2 MET 1 2.844 2.562 -23.992 3 3H MET 1 H3 MET 1 4.249 2.049 -23.307 4 HA MET 1 HA MET 1 4.622 2.605 -25.562 5 1HB MET 1 2HB MET 1 2.874 4.132 -25.961 6 2HB MET 1 3HB MET 1 3.466 5.292 -24.767 7 1HG MET 1 2HG MET 1 5.197 6.031 -26.114 8 2HG MET 1 3HG MET 1 5.272 4.559 -27.088 9 1HE MET 1 1HE MET 1 2.695 3.903 -28.372 10 2HE MET 1 2HE MET 1 2.612 4.994 -29.775 11 3HE MET 1 3HE MET 1 4.156 4.232 -29.338 12 H LEU 2 H LEU 2 5.319 5.086 -22.963 13 HA LEU 2 HA LEU 2 8.219 4.458 -23.298 14 1HB LEU 2 2HB LEU 2 7.489 6.561 -24.562 15 2HB LEU 2 3HB LEU 2 6.997 7.229 -23.010 16 HG LEU 2 HG LEU 2 9.539 6.498 -22.353 17 1HD1 LEU 2 1HD1 LEU 2 9.694 7.140 -25.333 18 2HD1 LEU 2 2HD1 LEU 2 11.061 6.882 -24.231 19 3HD1 LEU 2 3HD1 LEU 2 9.976 5.535 -24.624 20 1HD2 LEU 2 1HD2 LEU 2 8.621 8.748 -22.120 21 2HD2 LEU 2 2HD2 LEU 2 10.229 8.809 -22.862 22 3HD2 LEU 2 3HD2 LEU 2 8.779 9.025 -23.870 23 H SER 3 H SER 3 7.392 3.074 -21.510 24 HA SER 3 HA SER 3 6.766 2.461 -19.471 25 1HB SER 3 2HB SER 3 7.304 3.585 -17.465 26 2HB SER 3 3HB SER 3 8.651 3.870 -18.569 27 HG SER 3 HG SER 3 7.565 5.943 -19.013 28 H GLU 4 H GLU 4 4.994 3.035 -17.710 29 HA GLU 4 HA GLU 4 3.147 5.042 -18.032 30 1HB GLU 4 2HB GLU 4 2.511 3.963 -20.158 31 2HB GLU 4 3HB GLU 4 2.327 2.389 -19.350 32 1HG GLU 4 2HG GLU 4 0.458 3.191 -18.111 33 2HG GLU 4 3HG GLU 4 0.857 4.874 -18.491 34 H GLN 5 H GLN 5 2.505 5.094 -15.925 35 HA GLN 5 HA GLN 5 2.803 2.648 -14.254 36 1HB GLN 5 2HB GLN 5 2.814 4.146 -12.384 37 2HB GLN 5 3HB GLN 5 4.095 4.551 -13.542 38 1HG GLN 5 2HG GLN 5 2.782 6.483 -14.343 39 2HG GLN 5 3HG GLN 5 1.421 6.018 -13.310 40 1HE2 GLN 5 1HE2 GLN 5 4.180 5.311 -11.522 41 2HE2 GLN 5 2HE2 GLN 5 4.160 6.746 -10.548 42 H LYS 6 H LYS 6 1.171 2.655 -12.285 43 HA LYS 6 HA LYS 6 -1.536 3.439 -13.157 44 1HB LYS 6 2HB LYS 6 -0.439 0.710 -13.328 45 2HB LYS 6 3HB LYS 6 -1.847 0.768 -12.298 46 1HG LYS 6 2HG LYS 6 -1.938 2.121 -14.999 47 2HG LYS 6 3HG LYS 6 -2.085 0.370 -14.923 48 1HD LYS 6 2HD LYS 6 -3.819 2.216 -13.234 49 2HD LYS 6 3HD LYS 6 -4.281 1.718 -14.862 50 1HE LYS 6 2HE LYS 6 -4.689 -0.476 -14.286 51 2HE LYS 6 3HE LYS 6 -3.488 -0.517 -13.000 52 1HZ LYS 6 1HZ LYS 6 -6.065 0.879 -12.756 53 2HZ LYS 6 2HZ LYS 6 -5.712 -0.610 -12.145 54 3HZ LYS 6 3HZ LYS 6 -4.915 0.703 -11.582 55 H GLU 7 H GLU 7 -3.058 3.306 -11.619 56 HA GLU 7 HA GLU 7 -2.214 3.356 -8.792 57 1HB GLU 7 2HB GLU 7 -4.546 4.092 -8.396 58 2HB GLU 7 3HB GLU 7 -3.598 5.203 -9.387 59 1HG GLU 7 2HG GLU 7 -4.722 4.470 -11.425 60 2HG GLU 7 3HG GLU 7 -5.623 3.231 -10.515 61 H ILE 8 H ILE 8 -2.686 1.765 -7.423 62 HA ILE 8 HA ILE 8 -4.651 -0.339 -8.182 63 HB ILE 8 HB ILE 8 -2.061 -0.873 -7.696 64 1HG1 ILE 8 2HG1 ILE 8 -2.826 -3.044 -6.491 65 2HG1 ILE 8 3HG1 ILE 8 -4.469 -2.455 -6.796 66 1HG2 ILE 8 1HG2 ILE 8 -1.962 0.327 -5.602 67 2HG2 ILE 8 2HG2 ILE 8 -3.167 -0.737 -4.875 68 3HG2 ILE 8 3HG2 ILE 8 -1.602 -1.392 -5.363 69 1HD1 ILE 8 1HD1 ILE 8 -2.240 -2.838 -8.863 70 2HD1 ILE 8 2HD1 ILE 8 -3.622 -3.924 -8.624 71 3HD1 ILE 8 3HD1 ILE 8 -3.883 -2.273 -9.235 72 H ALA 9 H ALA 9 -6.078 -0.865 -6.345 73 HA ALA 9 HA ALA 9 -5.944 0.849 -3.975 74 1HB ALA 9 1HB ALA 9 -7.422 2.135 -5.498 75 2HB ALA 9 2HB ALA 9 -8.431 0.689 -5.727 76 3HB ALA 9 3HB ALA 9 -8.327 1.458 -4.127 77 H MET 10 H MET 10 -6.391 -0.417 -2.155 78 HA MET 10 HA MET 10 -8.182 -2.699 -2.455 79 1HB MET 10 2HB MET 10 -6.598 -4.408 -1.892 80 2HB MET 10 3HB MET 10 -6.210 -3.701 -3.442 81 1HG MET 10 2HG MET 10 -4.812 -2.384 -1.171 82 2HG MET 10 3HG MET 10 -4.464 -4.099 -1.396 83 1HE MET 10 1HE MET 10 -2.528 -1.359 -1.618 84 2HE MET 10 2HE MET 10 -1.868 -3.014 -1.552 85 3HE MET 10 3HE MET 10 -1.417 -1.925 -2.880 86 H GLN 11 H GLN 11 -7.904 -4.119 -0.243 87 HA GLN 11 HA GLN 11 -8.470 -2.038 1.789 88 1HB GLN 11 2HB GLN 11 -9.498 -4.824 2.121 89 2HB GLN 11 3HB GLN 11 -10.077 -3.295 2.730 90 1HG GLN 11 2HG GLN 11 -11.691 -3.731 1.207 91 2HG GLN 11 3HG GLN 11 -10.620 -2.798 0.166 92 1HE2 GLN 11 1HE2 GLN 11 -9.357 -4.055 -1.442 93 2HE2 GLN 11 2HE2 GLN 11 -9.874 -5.652 -1.920 94 H VAL 12 H VAL 12 -7.741 -2.337 3.933 95 HA VAL 12 HA VAL 12 -5.470 -4.264 4.184 96 HB VAL 12 HB VAL 12 -5.338 -1.619 5.599 97 1HG1 VAL 12 1HG1 VAL 12 -3.328 -3.507 4.273 98 2HG1 VAL 12 2HG1 VAL 12 -2.922 -2.002 5.090 99 3HG1 VAL 12 3HG1 VAL 12 -3.627 -3.338 6.022 100 1HG2 VAL 12 1HG2 VAL 12 -4.639 -1.975 2.664 101 2HG2 VAL 12 2HG2 VAL 12 -5.836 -0.836 3.342 102 3HG2 VAL 12 3HG2 VAL 12 -4.122 -0.622 3.706 103 H SER 13 H SER 13 -5.097 -5.212 6.138 104 HA SER 13 HA SER 13 -7.299 -5.013 8.132 105 1HB SER 13 2HB SER 13 -6.641 -7.227 6.950 106 2HB SER 13 3HB SER 13 -5.178 -7.169 7.952 107 HG SER 13 HG SER 13 -7.894 -7.301 8.777 108 H GLY 14 H GLY 14 -6.731 -4.800 10.323 109 1HA GLY 14 2HA GLY 14 -5.360 -4.539 12.165 110 2HA GLY 14 3HA GLY 14 -3.929 -4.455 11.137 111 H MET 15 H MET 15 -6.792 -2.300 10.564 112 HA MET 15 HA MET 15 -5.276 0.006 10.936 113 1HB MET 15 2HB MET 15 -7.434 -0.567 9.549 114 2HB MET 15 3HB MET 15 -8.312 -0.123 11.010 115 1HG MET 15 2HG MET 15 -6.402 1.510 9.335 116 2HG MET 15 3HG MET 15 -8.121 1.765 9.535 117 1HE MET 15 1HE MET 15 -4.504 2.062 11.001 118 2HE MET 15 2HE MET 15 -5.032 3.326 9.883 119 3HE MET 15 3HE MET 15 -4.653 3.746 11.547 120 H THR 16 H THR 16 -4.356 -0.566 13.140 121 HA THR 16 HA THR 16 -6.039 -0.392 15.471 122 HB THR 16 HB THR 16 -3.681 -0.128 16.538 123 HG1 THR 16 1HG THR 16 -2.542 0.592 14.747 124 1HG2 THR 16 1HG2 THR 16 -3.127 -2.486 16.089 125 2HG2 THR 16 2HG2 THR 16 -4.870 -2.304 16.375 126 3HG2 THR 16 3HG2 THR 16 -4.253 -2.518 14.720 127 H CYS 17 H CYS 17 -5.274 2.012 13.324 128 HA CYS 17 HA CYS 17 -5.732 4.246 13.338 129 1HB CYS 17 2HB CYS 17 -7.471 3.536 14.971 130 2HB CYS 17 3HB CYS 17 -6.417 4.202 16.263 131 HG CYS 17 HG CYS 17 -8.139 5.994 15.827 132 H ALA 18 H ALA 18 -4.875 6.415 14.586 133 HA ALA 18 HA ALA 18 -3.085 7.677 14.958 134 1HB ALA 18 1HB ALA 18 -1.845 5.300 16.393 135 2HB ALA 18 2HB ALA 18 -1.411 7.008 16.547 136 3HB ALA 18 3HB ALA 18 -3.002 6.450 17.097 137 H ALA 19 H ALA 19 -3.057 7.308 12.519 138 HA ALA 19 HA ALA 19 -1.850 7.332 10.602 139 1HB ALA 19 1HB ALA 19 0.547 7.610 12.460 140 2HB ALA 19 2HB ALA 19 0.444 8.121 10.768 141 3HB ALA 19 3HB ALA 19 -0.547 8.930 11.994 142 H CYS 20 H CYS 20 -2.308 4.683 11.805 143 HA CYS 20 HA CYS 20 0.126 3.120 11.500 144 1HB CYS 20 2HB CYS 20 -2.702 2.571 12.284 145 2HB CYS 20 3HB CYS 20 -1.780 1.208 11.673 146 HG CYS 20 HG CYS 20 0.124 1.191 13.211 147 H ALA 21 H ALA 21 -2.951 3.336 9.722 148 HA ALA 21 HA ALA 21 -2.043 1.652 7.637 149 1HB ALA 21 1HB ALA 21 -4.045 2.450 6.397 150 2HB ALA 21 2HB ALA 21 -4.409 1.925 8.049 151 3HB ALA 21 3HB ALA 21 -4.293 3.668 7.674 152 H ALA 22 H ALA 22 -1.708 5.061 8.294 153 HA ALA 22 HA ALA 22 -0.762 5.834 5.669 154 1HB ALA 22 1HB ALA 22 0.230 7.753 6.952 155 2HB ALA 22 2HB ALA 22 -1.496 7.505 7.315 156 3HB ALA 22 3HB ALA 22 -0.270 6.966 8.473 157 H ARG 23 H ARG 23 0.923 4.776 8.720 158 HA ARG 23 HA ARG 23 3.524 4.661 7.697 159 1HB ARG 23 2HB ARG 23 2.062 3.147 9.839 160 2HB ARG 23 3HB ARG 23 3.616 2.530 9.313 161 1HG ARG 23 2HG ARG 23 3.318 5.471 9.974 162 2HG ARG 23 3HG ARG 23 3.389 4.302 11.291 163 1HD ARG 23 2HD ARG 23 5.480 4.464 9.081 164 2HD ARG 23 3HD ARG 23 5.625 5.253 10.670 165 HE ARG 23 HE ARG 23 5.028 2.581 11.208 166 1HH1 ARG 23 2HH2 ARG 23 7.643 4.354 9.661 167 2HH1 ARG 23 1HH2 ARG 23 8.886 3.206 10.054 168 1HH2 ARG 23 2HH1 ARG 23 6.639 1.018 11.756 169 2HH2 ARG 23 1HH1 ARG 23 8.290 1.262 11.296 170 H ILE 24 H ILE 24 1.025 2.089 7.495 171 HA ILE 24 HA ILE 24 2.406 0.075 6.167 172 HB ILE 24 HB ILE 24 -0.400 1.118 5.634 173 1HG1 ILE 24 2HG1 ILE 24 0.501 -1.239 7.249 174 2HG1 ILE 24 3HG1 ILE 24 0.054 0.296 7.971 175 1HG2 ILE 24 1HG2 ILE 24 -1.059 -0.768 4.504 176 2HG2 ILE 24 2HG2 ILE 24 0.495 -0.424 3.776 177 3HG2 ILE 24 3HG2 ILE 24 0.349 -1.694 5.030 178 1HD1 ILE 24 1HD1 ILE 24 -2.002 -0.700 8.197 179 2HD1 ILE 24 2HD1 ILE 24 -2.227 -0.217 6.515 180 3HD1 ILE 24 3HD1 ILE 24 -1.673 -1.859 6.904 181 H GLU 25 H GLU 25 0.579 2.684 4.482 182 HA GLU 25 HA GLU 25 1.740 1.876 2.016 183 1HB GLU 25 2HB GLU 25 -0.497 3.405 2.789 184 2HB GLU 25 3HB GLU 25 0.576 4.567 2.026 185 1HG GLU 25 2HG GLU 25 -0.816 3.585 0.262 186 2HG GLU 25 3HG GLU 25 0.830 2.999 0.043 187 H LYS 26 H LYS 26 2.588 4.459 4.297 188 HA LYS 26 HA LYS 26 4.315 5.965 2.636 189 1HB LYS 26 2HB LYS 26 4.049 5.440 5.602 190 2HB LYS 26 3HB LYS 26 5.386 6.389 5.004 191 1HG LYS 26 2HG LYS 26 2.607 7.091 4.008 192 2HG LYS 26 3HG LYS 26 3.055 7.532 5.660 193 1HD LYS 26 2HD LYS 26 5.035 8.691 4.928 194 2HD LYS 26 3HD LYS 26 4.794 8.206 3.236 195 1HE LYS 26 2HE LYS 26 3.000 9.710 2.921 196 2HE LYS 26 3HE LYS 26 2.520 9.668 4.621 197 1HZ LYS 26 1HZ LYS 26 3.440 11.772 4.030 198 2HZ LYS 26 2HZ LYS 26 4.354 11.050 5.180 199 3HZ LYS 26 3HZ LYS 26 4.882 11.106 3.618 200 H GLY 27 H GLY 27 4.819 2.978 4.520 201 1HA GLY 27 2HA GLY 27 7.582 2.564 3.982 202 2HA GLY 27 3HA GLY 27 6.357 1.294 4.123 203 H LEU 28 H LEU 28 4.643 1.760 1.956 204 HA LEU 28 HA LEU 28 6.229 0.659 -0.173 205 1HB LEU 28 2HB LEU 28 3.438 1.827 -0.260 206 2HB LEU 28 3HB LEU 28 4.201 0.840 -1.504 207 HG LEU 28 HG LEU 28 3.672 -0.184 1.310 208 1HD1 LEU 28 1HD1 LEU 28 2.174 -0.328 -1.311 209 2HD1 LEU 28 2HD1 LEU 28 2.011 -1.580 -0.065 210 3HD1 LEU 28 3HD1 LEU 28 1.628 0.102 0.309 211 1HD2 LEU 28 1HD2 LEU 28 5.556 -1.363 0.590 212 2HD2 LEU 28 2HD2 LEU 28 4.205 -2.406 0.167 213 3HD2 LEU 28 3HD2 LEU 28 5.034 -1.456 -1.088 214 H LYS 29 H LYS 29 5.068 3.988 0.475 215 HA LYS 29 HA LYS 29 5.909 5.063 -2.004 216 1HB LYS 29 2HB LYS 29 4.538 6.328 -0.649 217 2HB LYS 29 3HB LYS 29 5.626 6.302 0.723 218 1HG LYS 29 2HG LYS 29 7.254 7.706 -0.395 219 2HG LYS 29 3HG LYS 29 6.362 7.639 -1.920 220 1HD LYS 29 2HD LYS 29 5.068 8.659 0.633 221 2HD LYS 29 3HD LYS 29 6.091 9.737 -0.323 222 1HE LYS 29 2HE LYS 29 3.805 8.174 -1.594 223 2HE LYS 29 3HE LYS 29 3.513 9.687 -0.747 224 1HZ LYS 29 1HZ LYS 29 5.271 10.679 -2.289 225 2HZ LYS 29 2HZ LYS 29 5.060 9.333 -3.231 226 3HZ LYS 29 3HZ LYS 29 3.825 10.329 -2.925 227 H ARG 30 H ARG 30 7.917 3.748 0.536 228 HA ARG 30 HA ARG 30 10.359 4.937 -0.662 229 1HB ARG 30 2HB ARG 30 9.723 3.417 1.823 230 2HB ARG 30 3HB ARG 30 11.262 3.040 1.077 231 1HG ARG 30 2HG ARG 30 11.564 4.804 2.683 232 2HG ARG 30 3HG ARG 30 11.870 5.437 1.057 233 1HD ARG 30 2HD ARG 30 9.578 6.408 1.017 234 2HD ARG 30 3HD ARG 30 9.281 5.747 2.645 235 HE ARG 30 HE ARG 30 11.656 7.331 2.673 236 1HH1 ARG 30 2HH2 ARG 30 8.187 7.667 2.359 237 2HH1 ARG 30 1HH2 ARG 30 8.119 9.344 2.838 238 1HH2 ARG 30 2HH1 ARG 30 11.638 9.544 3.379 239 2HH2 ARG 30 1HH1 ARG 30 10.152 10.424 3.482 240 H MET 31 H MET 31 8.396 2.233 -1.561 241 HA MET 31 HA MET 31 10.576 0.496 -2.256 242 1HB MET 31 2HB MET 31 7.662 0.630 -3.058 243 2HB MET 31 3HB MET 31 8.740 -0.525 -3.813 244 1HG MET 31 2HG MET 31 8.648 -0.481 -0.792 245 2HG MET 31 3HG MET 31 7.322 -1.165 -1.730 246 1HE MET 31 1HE MET 31 11.396 -1.481 -1.848 247 2HE MET 31 2HE MET 31 10.789 -1.933 -0.244 248 3HE MET 31 3HE MET 31 11.427 -3.172 -1.348 249 HA PRO 32 HA PRO 32 11.851 2.471 -6.056 250 1HB PRO 32 2HB PRO 32 13.042 0.409 -7.396 251 2HB PRO 32 3HB PRO 32 13.751 1.145 -5.931 252 1HG PRO 32 2HG PRO 32 12.109 -1.389 -6.123 253 2HG PRO 32 3HG PRO 32 13.645 -1.142 -5.249 254 1HD PRO 32 2HD PRO 32 11.189 -1.020 -4.044 255 2HD PRO 32 3HD PRO 32 12.557 0.010 -3.496 256 H GLY 33 H GLY 33 9.885 3.035 -7.097 257 1HA GLY 33 2HA GLY 33 9.282 2.603 -9.511 258 2HA GLY 33 3HA GLY 33 8.681 1.043 -8.973 259 H VAL 34 H VAL 34 8.056 2.743 -6.314 260 HA VAL 34 HA VAL 34 5.295 3.400 -6.935 261 HB VAL 34 HB VAL 34 6.297 2.509 -4.768 262 1HG1 VAL 34 1HG1 VAL 34 8.140 4.389 -5.021 263 2HG1 VAL 34 2HG1 VAL 34 6.979 5.393 -4.153 264 3HG1 VAL 34 3HG1 VAL 34 7.603 3.883 -3.434 265 1HG2 VAL 34 1HG2 VAL 34 4.636 5.035 -4.393 266 2HG2 VAL 34 2HG2 VAL 34 3.985 3.481 -4.954 267 3HG2 VAL 34 3HG2 VAL 34 4.720 3.602 -3.354 268 H THR 35 H THR 35 4.346 5.414 -6.711 269 HA THR 35 HA THR 35 6.124 7.828 -6.883 270 HB THR 35 HB THR 35 3.542 8.573 -7.784 271 HG1 THR 35 1HG THR 35 3.315 6.201 -8.155 272 1HG2 THR 35 1HG2 THR 35 5.646 9.515 -8.582 273 2HG2 THR 35 2HG2 THR 35 6.056 7.982 -9.391 274 3HG2 THR 35 3HG2 THR 35 4.658 8.941 -9.937 275 H ASP 36 H ASP 36 2.769 6.809 -6.007 276 HA ASP 36 HA ASP 36 2.921 8.512 -3.603 277 1HB ASP 36 2HB ASP 36 1.314 9.118 -6.086 278 2HB ASP 36 3HB ASP 36 0.696 9.580 -4.493 279 H ALA 37 H ALA 37 1.374 8.279 -2.081 280 HA ALA 37 HA ALA 37 -0.333 5.846 -2.284 281 1HB ALA 37 1HB ALA 37 1.686 5.230 -1.064 282 2HB ALA 37 2HB ALA 37 1.594 6.713 -0.081 283 3HB ALA 37 3HB ALA 37 0.345 5.475 0.077 284 H ASN 38 H ASN 38 -2.359 6.151 -1.415 285 HA ASN 38 HA ASN 38 -2.869 8.489 0.350 286 1HB ASN 38 2HB ASN 38 -4.032 8.008 -2.385 287 2HB ASN 38 3HB ASN 38 -5.112 8.607 -1.121 288 1HD2 ASN 38 1HD2 ASN 38 -3.529 9.791 -3.659 289 2HD2 ASN 38 2HD2 ASN 38 -3.055 11.351 -3.009 290 H VAL 39 H VAL 39 -3.743 7.727 2.117 291 HA VAL 39 HA VAL 39 -5.142 5.144 2.145 292 HB VAL 39 HB VAL 39 -3.364 5.769 3.779 293 1HG1 VAL 39 1HG1 VAL 39 -3.866 7.191 5.663 294 2HG1 VAL 39 2HG1 VAL 39 -4.066 8.149 4.189 295 3HG1 VAL 39 3HG1 VAL 39 -5.492 7.539 5.056 296 1HG2 VAL 39 1HG2 VAL 39 -4.560 4.819 5.709 297 2HG2 VAL 39 2HG2 VAL 39 -6.103 5.036 4.860 298 3HG2 VAL 39 3HG2 VAL 39 -4.876 3.928 4.209 299 H ASN 40 H ASN 40 -7.245 4.781 2.417 300 HA ASN 40 HA ASN 40 -9.071 7.061 2.859 301 1HB ASN 40 2HB ASN 40 -8.876 6.308 0.428 302 2HB ASN 40 3HB ASN 40 -9.591 4.771 0.909 303 1HD2 ASN 40 1HD2 ASN 40 -11.282 5.620 -0.746 304 2HD2 ASN 40 2HD2 ASN 40 -12.585 6.565 -0.047 305 H LEU 41 H LEU 41 -8.713 6.139 5.087 306 HA LEU 41 HA LEU 41 -9.774 3.582 5.768 307 1HB LEU 41 2HB LEU 41 -9.556 6.063 7.510 308 2HB LEU 41 3HB LEU 41 -9.861 4.409 8.059 309 HG LEU 41 HG LEU 41 -7.331 5.509 6.794 310 1HD1 LEU 41 1HD1 LEU 41 -7.734 5.833 9.250 311 2HD1 LEU 41 2HD1 LEU 41 -7.969 4.075 9.393 312 3HD1 LEU 41 3HD1 LEU 41 -6.379 4.729 8.944 313 1HD2 LEU 41 1HD2 LEU 41 -8.110 2.600 7.339 314 2HD2 LEU 41 2HD2 LEU 41 -7.504 3.281 5.812 315 3HD2 LEU 41 3HD2 LEU 41 -6.434 3.143 7.213 316 H ALA 42 H ALA 42 -11.435 6.449 4.858 317 HA ALA 42 HA ALA 42 -13.942 6.049 6.185 318 1HB ALA 42 1HB ALA 42 -14.869 7.384 4.372 319 2HB ALA 42 2HB ALA 42 -13.320 8.097 4.873 320 3HB ALA 42 3HB ALA 42 -13.425 7.127 3.384 321 H THR 43 H THR 43 -12.234 4.234 3.747 322 HA THR 43 HA THR 43 -14.567 2.412 3.417 323 HB THR 43 HB THR 43 -12.522 3.294 1.325 324 HG1 THR 43 1HG THR 43 -15.020 4.299 2.075 325 1HG2 THR 43 1HG2 THR 43 -14.257 2.476 -0.277 326 2HG2 THR 43 2HG2 THR 43 -13.510 1.176 0.658 327 3HG2 THR 43 3HG2 THR 43 -15.139 1.757 1.093 328 H GLU 44 H GLU 44 -12.035 2.509 5.269 329 HA GLU 44 HA GLU 44 -10.127 1.349 5.734 330 1HB GLU 44 2HB GLU 44 -12.072 -0.929 5.217 331 2HB GLU 44 3HB GLU 44 -10.564 -1.033 6.139 332 1HG GLU 44 2HG GLU 44 -11.430 0.766 7.681 333 2HG GLU 44 3HG GLU 44 -12.992 0.672 6.846 334 H THR 45 H THR 45 -9.863 2.274 3.158 335 HA THR 45 HA THR 45 -8.571 0.047 1.679 336 HB THR 45 HB THR 45 -10.591 2.105 0.703 337 HG1 THR 45 1HG THR 45 -11.376 0.101 1.485 338 1HG2 THR 45 1HG2 THR 45 -10.283 1.255 -1.575 339 2HG2 THR 45 2HG2 THR 45 -8.823 2.075 -1.008 340 3HG2 THR 45 3HG2 THR 45 -8.894 0.298 -1.059 341 H VAL 46 H VAL 46 -6.836 0.695 0.408 342 HA VAL 46 HA VAL 46 -5.982 3.534 0.656 343 HB VAL 46 HB VAL 46 -4.875 2.227 2.387 344 1HG1 VAL 46 1HG1 VAL 46 -3.272 0.428 1.831 345 2HG1 VAL 46 2HG1 VAL 46 -4.869 -0.027 1.207 346 3HG1 VAL 46 3HG1 VAL 46 -3.623 0.585 0.109 347 1HG2 VAL 46 1HG2 VAL 46 -3.587 4.086 1.258 348 2HG2 VAL 46 2HG2 VAL 46 -2.578 2.803 1.892 349 3HG2 VAL 46 3HG2 VAL 46 -2.929 2.894 0.143 350 H ASN 47 H ASN 47 -4.855 4.264 -1.144 351 HA ASN 47 HA ASN 47 -4.623 2.339 -3.384 352 1HB ASN 47 2HB ASN 47 -5.465 3.820 -4.975 353 2HB ASN 47 3HB ASN 47 -6.579 4.030 -3.629 354 1HD2 ASN 47 1HD2 ASN 47 -3.884 5.452 -5.475 355 2HD2 ASN 47 2HD2 ASN 47 -4.138 7.086 -4.902 356 H VAL 48 H VAL 48 -2.879 2.543 -4.720 357 HA VAL 48 HA VAL 48 -0.868 4.529 -4.012 358 HB VAL 48 HB VAL 48 -0.394 2.840 -2.366 359 1HG1 VAL 48 1HG1 VAL 48 0.349 0.578 -2.925 360 2HG1 VAL 48 2HG1 VAL 48 -1.326 0.834 -3.416 361 3HG1 VAL 48 3HG1 VAL 48 -0.017 0.859 -4.635 362 1HG2 VAL 48 1HG2 VAL 48 1.956 2.371 -2.875 363 2HG2 VAL 48 2HG2 VAL 48 1.693 2.786 -4.579 364 3HG2 VAL 48 3HG2 VAL 48 1.526 4.026 -3.316 365 H ILE 49 H ILE 49 0.394 5.061 -5.611 366 HA ILE 49 HA ILE 49 -0.245 4.030 -8.311 367 HB ILE 49 HB ILE 49 1.029 6.671 -7.518 368 1HG1 ILE 49 2HG1 ILE 49 -1.899 6.042 -8.065 369 2HG1 ILE 49 3HG1 ILE 49 -1.203 6.622 -6.544 370 1HG2 ILE 49 1HG2 ILE 49 1.411 5.752 -9.866 371 2HG2 ILE 49 2HG2 ILE 49 -0.342 5.818 -10.108 372 3HG2 ILE 49 3HG2 ILE 49 0.594 7.305 -9.820 373 1HD1 ILE 49 1HD1 ILE 49 -2.205 8.500 -7.630 374 2HD1 ILE 49 2HD1 ILE 49 -0.440 8.697 -7.728 375 3HD1 ILE 49 3HD1 ILE 49 -1.361 8.167 -9.152 376 H TYR 50 H TYR 50 1.312 2.805 -9.254 377 HA TYR 50 HA TYR 50 4.119 3.431 -8.817 378 1HB TYR 50 2HB TYR 50 4.707 1.085 -8.283 379 2HB TYR 50 3HB TYR 50 3.883 1.858 -6.978 380 HD1 TYR 50 HD1 TYR 50 2.067 0.753 -5.954 381 HD2 TYR 50 HD2 TYR 50 3.276 -0.456 -9.916 382 HE1 TYR 50 HE1 TYR 50 0.606 -1.226 -5.808 383 HE2 TYR 50 HE2 TYR 50 1.685 -2.336 -9.827 384 HH TYR 50 HH TYR 50 -0.440 -2.899 -7.031 385 H ASP 51 H ASP 51 5.507 2.028 -10.127 386 HA ASP 51 HA ASP 51 4.370 1.864 -12.810 387 1HB ASP 51 2HB ASP 51 6.375 3.178 -12.152 388 2HB ASP 51 3HB ASP 51 7.231 1.694 -11.822 389 HA PRO 52 HA PRO 52 4.312 -2.576 -12.132 390 1HB PRO 52 2HB PRO 52 3.377 -3.488 -14.494 391 2HB PRO 52 3HB PRO 52 2.389 -2.566 -13.333 392 1HG PRO 52 2HG PRO 52 3.896 -1.479 -15.747 393 2HG PRO 52 3HG PRO 52 2.175 -1.210 -15.343 394 1HD PRO 52 2HD PRO 52 4.127 0.574 -14.686 395 2HD PRO 52 3HD PRO 52 2.745 0.276 -13.583 396 H ALA 53 H ALA 53 6.755 -0.956 -13.715 397 HA ALA 53 HA ALA 53 7.936 -3.259 -15.156 398 1HB ALA 53 1HB ALA 53 9.093 -0.494 -14.591 399 2HB ALA 53 2HB ALA 53 9.725 -1.713 -15.704 400 3HB ALA 53 3HB ALA 53 8.160 -0.941 -16.034 401 H GLU 54 H GLU 54 8.722 -1.133 -12.442 402 HA GLU 54 HA GLU 54 10.751 -2.947 -11.281 403 1HB GLU 54 2HB GLU 54 9.589 -0.206 -10.630 404 2HB GLU 54 3HB GLU 54 10.678 -1.043 -9.535 405 1HG GLU 54 2HG GLU 54 11.589 -0.710 -12.387 406 2HG GLU 54 3HG GLU 54 11.554 0.714 -11.334 407 H THR 55 H THR 55 7.622 -1.438 -10.390 408 HA THR 55 HA THR 55 7.370 -3.038 -7.996 409 HB THR 55 HB THR 55 5.904 -0.599 -8.886 410 HG1 THR 55 1HG THR 55 7.236 0.167 -7.137 411 1HG2 THR 55 1HG2 THR 55 5.303 -0.435 -6.572 412 2HG2 THR 55 2HG2 THR 55 4.542 -1.806 -7.386 413 3HG2 THR 55 3HG2 THR 55 5.931 -2.100 -6.272 414 H GLY 56 H GLY 56 5.354 -4.079 -7.430 415 1HA GLY 56 2HA GLY 56 3.194 -4.299 -9.239 416 2HA GLY 56 3HA GLY 56 4.117 -5.827 -9.166 417 H THR 57 H THR 57 1.497 -5.510 -8.043 418 HA THR 57 HA THR 57 1.392 -4.917 -5.350 419 HB THR 57 HB THR 57 -0.604 -5.164 -6.344 420 HG1 THR 57 1HG THR 57 -0.421 -7.508 -4.768 421 1HG2 THR 57 1HG2 THR 57 -1.510 -7.245 -7.325 422 2HG2 THR 57 2HG2 THR 57 -0.207 -6.523 -8.269 423 3HG2 THR 57 3HG2 THR 57 0.114 -7.962 -7.265 424 H ALA 58 H ALA 58 2.684 -7.776 -6.907 425 HA ALA 58 HA ALA 58 3.462 -9.569 -5.021 426 1HB ALA 58 1HB ALA 58 5.132 -8.121 -7.147 427 2HB ALA 58 2HB ALA 58 5.605 -9.656 -6.374 428 3HB ALA 58 3HB ALA 58 4.153 -9.587 -7.393 429 H ALA 59 H ALA 59 5.193 -6.427 -5.550 430 HA ALA 59 HA ALA 59 7.250 -7.107 -3.571 431 1HB ALA 59 1HB ALA 59 8.124 -4.872 -4.164 432 2HB ALA 59 2HB ALA 59 7.818 -5.831 -5.625 433 3HB ALA 59 3HB ALA 59 6.684 -4.548 -5.150 434 H ILE 60 H ILE 60 4.369 -5.138 -4.022 435 HA ILE 60 HA ILE 60 4.489 -3.658 -1.651 436 HB ILE 60 HB ILE 60 2.496 -4.337 -3.725 437 1HG1 ILE 60 2HG1 ILE 60 2.018 -1.819 -3.406 438 2HG1 ILE 60 3HG1 ILE 60 3.403 -1.853 -2.323 439 1HG2 ILE 60 1HG2 ILE 60 1.067 -4.885 -1.918 440 2HG2 ILE 60 2HG2 ILE 60 1.469 -3.396 -1.057 441 3HG2 ILE 60 3HG2 ILE 60 0.588 -3.346 -2.604 442 1HD1 ILE 60 1HD1 ILE 60 3.977 -1.150 -4.629 443 2HD1 ILE 60 2HD1 ILE 60 4.784 -2.691 -4.265 444 3HD1 ILE 60 3HD1 ILE 60 3.308 -2.661 -5.274 445 H GLN 61 H GLN 61 2.582 -6.722 -2.194 446 HA GLN 61 HA GLN 61 1.708 -7.106 0.412 447 1HB GLN 61 2HB GLN 61 2.571 -9.055 -1.733 448 2HB GLN 61 3HB GLN 61 2.212 -9.620 -0.093 449 1HG GLN 61 2HG GLN 61 0.254 -10.005 -1.243 450 2HG GLN 61 3HG GLN 61 -0.065 -8.598 -0.237 451 1HE2 GLN 61 1HE2 GLN 61 -0.161 -6.482 -1.334 452 2HE2 GLN 61 2HE2 GLN 61 -0.531 -6.426 -3.055 453 H GLU 62 H GLU 62 4.779 -8.325 -0.937 454 HA GLU 62 HA GLU 62 5.955 -9.400 1.304 455 1HB GLU 62 2HB GLU 62 6.757 -8.789 -1.272 456 2HB GLU 62 3HB GLU 62 7.724 -7.613 -0.405 457 1HG GLU 62 2HG GLU 62 7.663 -10.628 0.129 458 2HG GLU 62 3HG GLU 62 8.814 -9.793 -0.926 459 H LYS 63 H LYS 63 6.139 -5.893 0.413 460 HA LYS 63 HA LYS 63 7.600 -5.429 2.863 461 1HB LYS 63 2HB LYS 63 6.881 -3.926 0.421 462 2HB LYS 63 3HB LYS 63 6.677 -2.994 1.894 463 1HG LYS 63 2HG LYS 63 8.978 -2.726 1.146 464 2HG LYS 63 3HG LYS 63 8.981 -3.673 2.634 465 1HD LYS 63 2HD LYS 63 8.826 -5.735 0.804 466 2HD LYS 63 3HD LYS 63 9.516 -4.532 -0.227 467 1HE LYS 63 2HE LYS 63 11.408 -5.566 0.558 468 2HE LYS 63 3HE LYS 63 11.296 -4.249 1.741 469 1HZ LYS 63 1HZ LYS 63 10.123 -5.888 3.176 470 2HZ LYS 63 2HZ LYS 63 10.311 -7.019 2.017 471 3HZ LYS 63 3HZ LYS 63 11.636 -6.426 2.765 472 H ILE 64 H ILE 64 4.157 -5.140 1.898 473 HA ILE 64 HA ILE 64 3.280 -3.681 4.054 474 HB ILE 64 HB ILE 64 1.889 -5.872 2.454 475 1HG1 ILE 64 2HG1 ILE 64 2.326 -3.947 1.062 476 2HG1 ILE 64 3HG1 ILE 64 0.625 -4.027 1.472 477 1HG2 ILE 64 1HG2 ILE 64 0.500 -5.889 4.274 478 2HG2 ILE 64 2HG2 ILE 64 1.028 -4.285 4.849 479 3HG2 ILE 64 3HG2 ILE 64 -0.125 -4.396 3.544 480 1HD1 ILE 64 1HD1 ILE 64 1.457 -2.505 3.477 481 2HD1 ILE 64 2HD1 ILE 64 2.758 -2.130 2.342 482 3HD1 ILE 64 3HD1 ILE 64 1.045 -1.817 1.899 483 H GLU 65 H GLU 65 3.744 -7.257 3.696 484 HA GLU 65 HA GLU 65 2.958 -8.112 6.280 485 1HB GLU 65 2HB GLU 65 4.854 -9.048 4.146 486 2HB GLU 65 3HB GLU 65 4.861 -9.869 5.713 487 1HG GLU 65 2HG GLU 65 2.258 -9.432 4.211 488 2HG GLU 65 3HG GLU 65 3.339 -10.772 3.803 489 H LYS 66 H LYS 66 5.989 -6.548 5.202 490 HA LYS 66 HA LYS 66 7.417 -7.179 7.665 491 1HB LYS 66 2HB LYS 66 8.096 -6.367 5.037 492 2HB LYS 66 3HB LYS 66 8.464 -4.976 6.046 493 1HG LYS 66 2HG LYS 66 10.452 -6.261 5.978 494 2HG LYS 66 3HG LYS 66 9.764 -6.563 7.582 495 1HD LYS 66 2HD LYS 66 8.902 -8.762 6.840 496 2HD LYS 66 3HD LYS 66 9.239 -8.372 5.162 497 1HE LYS 66 2HE LYS 66 10.925 -9.899 5.840 498 2HE LYS 66 3HE LYS 66 11.695 -8.322 5.648 499 1HZ LYS 66 1HZ LYS 66 12.434 -9.400 7.630 500 2HZ LYS 66 2HZ LYS 66 11.561 -8.077 8.068 501 3HZ LYS 66 3HZ LYS 66 10.904 -9.582 8.196 502 H LEU 67 H LEU 67 5.686 -4.412 6.233 503 HA LEU 67 HA LEU 67 6.128 -2.527 8.304 504 1HB LEU 67 2HB LEU 67 4.017 -2.975 6.164 505 2HB LEU 67 3HB LEU 67 3.655 -1.863 7.437 506 HG LEU 67 HG LEU 67 4.551 -0.827 5.418 507 1HD1 LEU 67 1HD1 LEU 67 6.366 -0.413 7.818 508 2HD1 LEU 67 2HD1 LEU 67 5.960 0.769 6.558 509 3HD1 LEU 67 3HD1 LEU 67 4.704 0.217 7.685 510 1HD2 LEU 67 1HD2 LEU 67 7.183 -2.193 6.083 511 2HD2 LEU 67 2HD2 LEU 67 6.212 -2.306 4.590 512 3HD2 LEU 67 3HD2 LEU 67 7.009 -0.799 5.010 513 H GLY 68 H GLY 68 4.229 -5.458 8.217 514 1HA GLY 68 2HA GLY 68 3.785 -6.626 10.197 515 2HA GLY 68 3HA GLY 68 3.679 -5.119 11.118 516 H TYR 69 H TYR 69 2.115 -5.635 7.933 517 HA TYR 69 HA TYR 69 -0.580 -5.988 9.198 518 1HB TYR 69 2HB TYR 69 0.070 -3.838 7.160 519 2HB TYR 69 3HB TYR 69 -1.485 -4.163 7.912 520 HD1 TYR 69 HD1 TYR 69 1.961 -2.968 8.532 521 HD2 TYR 69 HD2 TYR 69 -2.090 -3.027 9.955 522 HE1 TYR 69 HE1 TYR 69 2.426 -0.964 9.860 523 HE2 TYR 69 HE2 TYR 69 -1.652 -1.002 11.278 524 HH TYR 69 HH TYR 69 0.767 1.033 10.395 525 H HIS 70 H HIS 70 -2.156 -6.325 7.540 526 HA HIS 70 HA HIS 70 -1.048 -8.117 5.432 527 1HB HIS 70 2HB HIS 70 -1.738 -9.537 7.193 528 2HB HIS 70 3HB HIS 70 -3.070 -8.488 7.666 529 HD1 HIS 70 1HD HIS 70 -2.817 -11.746 6.404 530 HD2 HIS 70 2HD HIS 70 -5.105 -8.319 5.780 531 HE1 HIS 70 1HE HIS 70 -5.117 -12.550 5.623 532 H VAL 71 H VAL 71 -1.647 -7.436 3.553 533 HA VAL 71 HA VAL 71 -4.061 -5.693 3.252 534 HB VAL 71 HB VAL 71 -1.892 -4.805 2.464 535 1HG1 VAL 71 1HG1 VAL 71 -2.081 -6.893 0.250 536 2HG1 VAL 71 2HG1 VAL 71 -0.883 -5.599 0.410 537 3HG1 VAL 71 3HG1 VAL 71 -0.890 -6.937 1.572 538 1HG2 VAL 71 1HG2 VAL 71 -2.743 -3.986 0.332 539 2HG2 VAL 71 2HG2 VAL 71 -4.014 -5.234 0.376 540 3HG2 VAL 71 3HG2 VAL 71 -3.968 -3.949 1.605 541 H VAL 72 H VAL 72 -5.751 -6.287 1.822 542 HA VAL 72 HA VAL 72 -5.638 -9.125 0.847 543 HB VAL 72 HB VAL 72 -8.032 -9.098 0.837 544 1HG1 VAL 72 1HG1 VAL 72 -6.873 -9.803 2.921 545 2HG1 VAL 72 2HG1 VAL 72 -7.018 -8.137 3.541 546 3HG1 VAL 72 3HG1 VAL 72 -8.477 -9.097 3.237 547 1HG2 VAL 72 1HG2 VAL 72 -7.983 -6.409 2.207 548 2HG2 VAL 72 2HG2 VAL 72 -8.433 -6.629 0.496 549 3HG2 VAL 72 3HG2 VAL 72 -9.411 -7.358 1.775 550 H ILE 73 H ILE 73 -6.338 -9.472 -1.325 551 HA ILE 73 HA ILE 73 -6.639 -7.032 -3.033 552 HB ILE 73 HB ILE 73 -5.172 -9.589 -3.801 553 1HG1 ILE 73 2HG1 ILE 73 -3.850 -8.353 -2.072 554 2HG1 ILE 73 3HG1 ILE 73 -3.080 -8.489 -3.639 555 1HG2 ILE 73 1HG2 ILE 73 -6.156 -8.442 -5.715 556 2HG2 ILE 73 2HG2 ILE 73 -5.555 -6.882 -5.154 557 3HG2 ILE 73 3HG2 ILE 73 -4.416 -8.128 -5.722 558 1HD1 ILE 73 1HD1 ILE 73 -4.601 -5.994 -2.796 559 2HD1 ILE 73 2HD1 ILE 73 -2.869 -6.228 -2.530 560 3HD1 ILE 73 3HD1 ILE 73 -3.507 -6.183 -4.180 561 H GLU 74 H GLU 74 -8.841 -7.569 -2.284 562 HA GLU 74 HA GLU 74 -10.132 -9.813 -3.735 563 1HB GLU 74 2HB GLU 74 -10.682 -8.742 -1.261 564 2HB GLU 74 3HB GLU 74 -11.854 -7.885 -2.266 565 1HG GLU 74 2HG GLU 74 -11.471 -10.911 -2.077 566 2HG GLU 74 3HG GLU 74 -12.784 -9.971 -1.356 567 H GLY 75 H GLY 75 -10.080 -9.317 -5.812 568 1HA GLY 75 2HA GLY 75 -10.137 -8.056 -7.809 569 2HA GLY 75 3HA GLY 75 -11.819 -8.260 -7.316 570 H ARG 76 H ARG 76 -9.044 -5.919 -6.845 571 HA ARG 76 HA ARG 76 -10.810 -3.681 -7.436 572 1HB ARG 76 2HB ARG 76 -9.611 -4.292 -4.703 573 2HB ARG 76 3HB ARG 76 -9.720 -2.642 -5.244 574 1HG ARG 76 2HG ARG 76 -12.310 -3.806 -5.739 575 2HG ARG 76 3HG ARG 76 -11.785 -4.331 -4.150 576 1HD ARG 76 2HD ARG 76 -12.616 -2.399 -3.428 577 2HD ARG 76 3HD ARG 76 -11.154 -1.623 -4.000 578 HE ARG 76 HE ARG 76 -13.820 -1.283 -4.903 579 1HH1 ARG 76 2HH2 ARG 76 -10.603 -1.581 -6.494 580 2HH1 ARG 76 1HH2 ARG 76 -11.038 -0.605 -7.818 581 1HH2 ARG 76 2HH1 ARG 76 -14.376 -0.018 -6.690 582 2HH2 ARG 76 1HH1 ARG 76 -13.229 0.302 -7.950 Start of MODEL 3 1 1H MET 1 H1 MET 1 7.675 1.036 -27.187 2 2H MET 1 H2 MET 1 8.974 2.046 -27.436 3 3H MET 1 H3 MET 1 9.086 0.753 -26.401 4 HA MET 1 HA MET 1 8.773 2.635 -25.020 5 1HB MET 1 2HB MET 1 6.484 3.151 -26.972 6 2HB MET 1 3HB MET 1 6.558 3.907 -25.378 7 1HG MET 1 2HG MET 1 8.594 5.062 -25.902 8 2HG MET 1 3HG MET 1 8.775 4.206 -27.444 9 1HE MET 1 1HE MET 1 9.238 6.575 -28.543 10 2HE MET 1 2HE MET 1 8.074 7.920 -28.487 11 3HE MET 1 3HE MET 1 8.912 7.413 -27.003 12 H LEU 2 H LEU 2 7.856 1.877 -23.056 13 HA LEU 2 HA LEU 2 5.299 0.740 -22.900 14 1HB LEU 2 2HB LEU 2 6.825 -1.211 -24.001 15 2HB LEU 2 3HB LEU 2 7.340 -1.426 -22.345 16 HG LEU 2 HG LEU 2 4.796 -1.506 -21.765 17 1HD1 LEU 2 1HD1 LEU 2 3.347 -2.251 -23.649 18 2HD1 LEU 2 2HD1 LEU 2 3.936 -0.613 -23.947 19 3HD1 LEU 2 3HD1 LEU 2 4.679 -1.983 -24.789 20 1HD2 LEU 2 1HD2 LEU 2 6.251 -3.485 -21.730 21 2HD2 LEU 2 2HD2 LEU 2 4.666 -3.896 -22.408 22 3HD2 LEU 2 3HD2 LEU 2 6.062 -3.682 -23.487 23 H SER 3 H SER 3 5.197 2.276 -21.271 24 HA SER 3 HA SER 3 6.159 1.585 -18.628 25 1HB SER 3 2HB SER 3 7.479 3.853 -18.564 26 2HB SER 3 3HB SER 3 8.261 2.381 -19.153 27 HG SER 3 HG SER 3 8.479 4.342 -20.496 28 H GLU 4 H GLU 4 3.860 1.734 -18.291 29 HA GLU 4 HA GLU 4 2.909 4.486 -17.949 30 1HB GLU 4 2HB GLU 4 1.540 3.678 -19.804 31 2HB GLU 4 3HB GLU 4 1.242 2.128 -18.978 32 1HG GLU 4 2HG GLU 4 0.096 3.300 -17.137 33 2HG GLU 4 3HG GLU 4 0.507 4.855 -17.881 34 H GLN 5 H GLN 5 2.302 4.749 -15.910 35 HA GLN 5 HA GLN 5 2.478 2.493 -13.998 36 1HB GLN 5 2HB GLN 5 2.592 4.193 -12.327 37 2HB GLN 5 3HB GLN 5 3.848 4.478 -13.545 38 1HG GLN 5 2HG GLN 5 2.287 6.238 -14.583 39 2HG GLN 5 3HG GLN 5 1.212 6.004 -13.197 40 1HE2 GLN 5 1HE2 GLN 5 3.342 5.607 -11.220 41 2HE2 GLN 5 2HE2 GLN 5 4.094 7.113 -10.965 42 H LYS 6 H LYS 6 0.819 2.512 -12.173 43 HA LYS 6 HA LYS 6 -1.835 3.545 -13.014 44 1HB LYS 6 2HB LYS 6 -0.941 0.674 -13.120 45 2HB LYS 6 3HB LYS 6 -2.525 0.970 -12.420 46 1HG LYS 6 2HG LYS 6 -1.937 2.328 -15.025 47 2HG LYS 6 3HG LYS 6 -2.176 0.587 -15.054 48 1HD LYS 6 2HD LYS 6 -4.367 0.745 -14.072 49 2HD LYS 6 3HD LYS 6 -4.189 2.467 -13.753 50 1HE LYS 6 2HE LYS 6 -4.286 1.166 -16.524 51 2HE LYS 6 3HE LYS 6 -5.606 2.033 -15.723 52 1HZ LYS 6 1HZ LYS 6 -3.096 3.178 -16.795 53 2HZ LYS 6 2HZ LYS 6 -4.607 3.537 -17.179 54 3HZ LYS 6 3HZ LYS 6 -4.033 3.991 -15.703 55 H GLU 7 H GLU 7 -3.352 3.430 -11.432 56 HA GLU 7 HA GLU 7 -2.367 3.449 -8.660 57 1HB GLU 7 2HB GLU 7 -4.626 4.329 -8.178 58 2HB GLU 7 3HB GLU 7 -3.656 5.352 -9.243 59 1HG GLU 7 2HG GLU 7 -5.610 3.398 -10.440 60 2HG GLU 7 3HG GLU 7 -6.155 4.954 -9.788 61 H ILE 8 H ILE 8 -2.647 1.795 -7.289 62 HA ILE 8 HA ILE 8 -4.840 -0.163 -7.864 63 HB ILE 8 HB ILE 8 -2.228 -0.868 -7.617 64 1HG1 ILE 8 2HG1 ILE 8 -3.142 -3.117 -6.756 65 2HG1 ILE 8 3HG1 ILE 8 -4.739 -2.359 -6.816 66 1HG2 ILE 8 1HG2 ILE 8 -3.336 -1.086 -4.800 67 2HG2 ILE 8 2HG2 ILE 8 -1.803 -1.748 -5.382 68 3HG2 ILE 8 3HG2 ILE 8 -2.046 0.010 -5.340 69 1HD1 ILE 8 1HD1 ILE 8 -4.314 -1.852 -9.270 70 2HD1 ILE 8 2HD1 ILE 8 -2.741 -2.658 -9.116 71 3HD1 ILE 8 3HD1 ILE 8 -4.237 -3.586 -8.902 72 H ALA 9 H ALA 9 -6.132 -0.703 -6.027 73 HA ALA 9 HA ALA 9 -5.936 0.992 -3.657 74 1HB ALA 9 1HB ALA 9 -8.303 1.644 -3.784 75 2HB ALA 9 2HB ALA 9 -7.405 2.307 -5.165 76 3HB ALA 9 3HB ALA 9 -8.446 0.882 -5.384 77 H MET 10 H MET 10 -6.460 -0.229 -1.872 78 HA MET 10 HA MET 10 -7.921 -2.774 -2.172 79 1HB MET 10 2HB MET 10 -5.971 -4.090 -1.440 80 2HB MET 10 3HB MET 10 -5.668 -3.300 -2.996 81 1HG MET 10 2HG MET 10 -4.756 -1.387 -1.154 82 2HG MET 10 3HG MET 10 -4.366 -2.907 -0.379 83 1HE MET 10 1HE MET 10 -1.073 -1.278 -2.029 84 2HE MET 10 2HE MET 10 -2.484 -0.396 -1.413 85 3HE MET 10 3HE MET 10 -1.819 -1.767 -0.489 86 H GLN 11 H GLN 11 -7.805 -3.989 0.030 87 HA GLN 11 HA GLN 11 -8.272 -1.927 2.121 88 1HB GLN 11 2HB GLN 11 -9.251 -4.584 2.823 89 2HB GLN 11 3HB GLN 11 -9.932 -2.996 3.029 90 1HG GLN 11 2HG GLN 11 -11.494 -4.047 1.709 91 2HG GLN 11 3HG GLN 11 -10.592 -3.112 0.511 92 1HE2 GLN 11 1HE2 GLN 11 -9.380 -4.314 -1.050 93 2HE2 GLN 11 2HE2 GLN 11 -9.035 -6.014 -0.914 94 H VAL 12 H VAL 12 -7.444 -2.426 4.192 95 HA VAL 12 HA VAL 12 -5.200 -4.384 4.220 96 HB VAL 12 HB VAL 12 -4.990 -2.081 6.094 97 1HG1 VAL 12 1HG1 VAL 12 -3.270 -3.872 5.934 98 2HG1 VAL 12 2HG1 VAL 12 -3.010 -3.429 4.226 99 3HG1 VAL 12 3HG1 VAL 12 -2.625 -2.276 5.512 100 1HG2 VAL 12 1HG2 VAL 12 -4.505 -1.773 3.113 101 2HG2 VAL 12 2HG2 VAL 12 -5.631 -0.802 4.113 102 3HG2 VAL 12 3HG2 VAL 12 -3.891 -0.653 4.364 103 H SER 13 H SER 13 -4.761 -5.276 6.408 104 HA SER 13 HA SER 13 -7.120 -5.068 8.213 105 1HB SER 13 2HB SER 13 -6.687 -7.254 6.663 106 2HB SER 13 3HB SER 13 -5.605 -7.651 7.972 107 HG SER 13 HG SER 13 -8.369 -7.037 8.186 108 H GLY 14 H GLY 14 -6.586 -4.979 10.386 109 1HA GLY 14 2HA GLY 14 -5.154 -5.166 12.233 110 2HA GLY 14 3HA GLY 14 -3.729 -5.099 11.207 111 H MET 15 H MET 15 -5.474 -2.585 9.939 112 HA MET 15 HA MET 15 -4.091 -0.551 11.363 113 1HB MET 15 2HB MET 15 -5.557 1.012 10.200 114 2HB MET 15 3HB MET 15 -4.940 -0.196 9.072 115 1HG MET 15 2HG MET 15 -7.631 -0.681 10.365 116 2HG MET 15 3HG MET 15 -7.527 0.554 9.142 117 1HE MET 15 1HE MET 15 -7.947 0.128 6.777 118 2HE MET 15 2HE MET 15 -6.184 -0.135 6.734 119 3HE MET 15 3HE MET 15 -7.295 -1.252 5.897 120 H THR 16 H THR 16 -4.968 1.077 12.819 121 HA THR 16 HA THR 16 -7.604 0.463 14.068 122 HB THR 16 HB THR 16 -5.862 -0.429 15.536 123 HG1 THR 16 1HG THR 16 -7.702 0.524 16.465 124 1HG2 THR 16 1HG2 THR 16 -3.917 0.833 15.057 125 2HG2 THR 16 2HG2 THR 16 -4.695 2.382 15.473 126 3HG2 THR 16 3HG2 THR 16 -4.340 1.188 16.734 127 H CYS 17 H CYS 17 -6.953 2.159 11.897 128 HA CYS 17 HA CYS 17 -7.508 4.155 11.070 129 1HB CYS 17 2HB CYS 17 -9.473 4.000 12.563 130 2HB CYS 17 3HB CYS 17 -8.590 5.000 13.746 131 HG CYS 17 HG CYS 17 -8.036 6.942 12.026 132 H ALA 18 H ALA 18 -6.106 4.663 14.331 133 HA ALA 18 HA ALA 18 -5.035 7.218 13.941 134 1HB ALA 18 1HB ALA 18 -3.663 6.678 15.922 135 2HB ALA 18 2HB ALA 18 -5.352 6.168 16.121 136 3HB ALA 18 3HB ALA 18 -4.098 4.963 15.758 137 H ALA 19 H ALA 19 -4.166 7.136 11.790 138 HA ALA 19 HA ALA 19 -2.399 7.484 10.417 139 1HB ALA 19 1HB ALA 19 -1.492 8.616 12.433 140 2HB ALA 19 2HB ALA 19 -0.678 7.108 12.902 141 3HB ALA 19 3HB ALA 19 -0.216 7.938 11.404 142 H CYS 20 H CYS 20 -3.235 4.609 11.190 143 HA CYS 20 HA CYS 20 -0.832 3.025 11.187 144 1HB CYS 20 2HB CYS 20 -3.805 2.476 11.060 145 2HB CYS 20 3HB CYS 20 -2.661 1.167 10.655 146 HG CYS 20 HG CYS 20 -2.433 3.106 13.306 147 H ALA 21 H ALA 21 -3.459 3.067 8.721 148 HA ALA 21 HA ALA 21 -1.849 1.704 6.848 149 1HB ALA 21 1HB ALA 21 -3.560 2.255 5.179 150 2HB ALA 21 2HB ALA 21 -4.187 1.538 6.669 151 3HB ALA 21 3HB ALA 21 -4.363 3.286 6.387 152 H ALA 22 H ALA 22 -2.104 5.102 7.590 153 HA ALA 22 HA ALA 22 -0.774 6.225 5.350 154 1HB ALA 22 1HB ALA 22 -1.825 7.565 7.120 155 2HB ALA 22 2HB ALA 22 -0.653 6.970 8.301 156 3HB ALA 22 3HB ALA 22 -0.105 7.987 6.951 157 H ARG 23 H ARG 23 0.592 4.929 8.451 158 HA ARG 23 HA ARG 23 3.347 5.202 7.625 159 1HB ARG 23 2HB ARG 23 1.983 3.496 9.743 160 2HB ARG 23 3HB ARG 23 3.736 3.603 9.559 161 1HG ARG 23 2HG ARG 23 2.054 6.112 9.884 162 2HG ARG 23 3HG ARG 23 2.528 5.153 11.290 163 1HD ARG 23 2HD ARG 23 4.834 5.496 10.921 164 2HD ARG 23 3HD ARG 23 4.590 6.125 9.275 165 HE ARG 23 HE ARG 23 3.136 7.825 10.918 166 1HH1 ARG 23 2HH2 ARG 23 6.512 6.858 10.682 167 2HH1 ARG 23 1HH2 ARG 23 7.166 8.400 11.141 168 1HH2 ARG 23 2HH1 ARG 23 3.954 9.916 11.477 169 2HH2 ARG 23 1HH1 ARG 23 5.660 10.187 11.597 170 H ILE 24 H ILE 24 1.092 2.430 7.610 171 HA ILE 24 HA ILE 24 2.820 0.468 6.619 172 HB ILE 24 HB ILE 24 -0.095 0.943 5.940 173 1HG1 ILE 24 2HG1 ILE 24 1.016 -1.114 7.857 174 2HG1 ILE 24 3HG1 ILE 24 0.666 0.495 8.457 175 1HG2 ILE 24 1HG2 ILE 24 1.647 -1.501 5.550 176 2HG2 ILE 24 2HG2 ILE 24 -0.124 -1.536 5.459 177 3HG2 ILE 24 3HG2 ILE 24 0.785 -0.565 4.300 178 1HD1 ILE 24 1HD1 ILE 24 -1.618 -0.555 6.917 179 2HD1 ILE 24 2HD1 ILE 24 -1.174 -1.613 8.243 180 3HD1 ILE 24 3HD1 ILE 24 -1.553 0.077 8.572 181 H GLU 25 H GLU 25 0.757 2.738 4.655 182 HA GLU 25 HA GLU 25 1.885 1.707 2.260 183 1HB GLU 25 2HB GLU 25 -0.234 3.530 2.868 184 2HB GLU 25 3HB GLU 25 0.898 4.439 1.873 185 1HG GLU 25 2HG GLU 25 -0.491 1.829 1.189 186 2HG GLU 25 3HG GLU 25 -0.668 3.426 0.418 187 H LYS 26 H LYS 26 2.635 4.666 4.278 188 HA LYS 26 HA LYS 26 4.492 5.873 2.599 189 1HB LYS 26 2HB LYS 26 4.105 5.675 5.563 190 2HB LYS 26 3HB LYS 26 5.598 6.345 4.982 191 1HG LYS 26 2HG LYS 26 2.960 7.385 3.874 192 2HG LYS 26 3HG LYS 26 3.574 7.932 5.438 193 1HD LYS 26 2HD LYS 26 5.771 8.522 4.387 194 2HD LYS 26 3HD LYS 26 5.104 8.120 2.796 195 1HE LYS 26 2HE LYS 26 3.443 9.924 3.001 196 2HE LYS 26 3HE LYS 26 3.914 10.221 4.680 197 1HZ LYS 26 1HZ LYS 26 5.682 10.662 2.362 198 2HZ LYS 26 2HZ LYS 26 4.888 11.826 3.207 199 3HZ LYS 26 3HZ LYS 26 6.058 10.941 3.936 200 H GLY 27 H GLY 27 4.910 3.022 4.675 201 1HA GLY 27 2HA GLY 27 7.660 2.476 4.298 202 2HA GLY 27 3HA GLY 27 6.356 1.292 4.472 203 H LEU 28 H LEU 28 4.848 1.621 2.168 204 HA LEU 28 HA LEU 28 6.514 0.419 0.106 205 1HB LEU 28 2HB LEU 28 3.644 1.358 0.104 206 2HB LEU 28 3HB LEU 28 4.417 0.464 -1.200 207 HG LEU 28 HG LEU 28 4.080 -0.590 1.631 208 1HD1 LEU 28 1HD1 LEU 28 2.394 -2.038 0.293 209 2HD1 LEU 28 2HD1 LEU 28 1.950 -0.398 0.805 210 3HD1 LEU 28 3HD1 LEU 28 2.394 -0.705 -0.868 211 1HD2 LEU 28 1HD2 LEU 28 4.615 -2.791 0.413 212 2HD2 LEU 28 2HD2 LEU 28 5.328 -1.789 -0.872 213 3HD2 LEU 28 3HD2 LEU 28 5.947 -1.685 0.766 214 H LYS 29 H LYS 29 5.247 3.704 0.719 215 HA LYS 29 HA LYS 29 5.877 4.671 -1.872 216 1HB LYS 29 2HB LYS 29 4.396 5.869 -0.640 217 2HB LYS 29 3HB LYS 29 5.486 6.190 0.690 218 1HG LYS 29 2HG LYS 29 6.946 7.579 -0.784 219 2HG LYS 29 3HG LYS 29 5.838 7.260 -2.116 220 1HD LYS 29 2HD LYS 29 5.452 9.016 0.310 221 2HD LYS 29 3HD LYS 29 5.236 9.389 -1.410 222 1HE LYS 29 2HE LYS 29 3.313 7.691 -1.357 223 2HE LYS 29 3HE LYS 29 3.419 7.748 0.414 224 1HZ LYS 29 1HZ LYS 29 1.693 9.213 -0.382 225 2HZ LYS 29 2HZ LYS 29 2.902 10.175 0.203 226 3HZ LYS 29 3HZ LYS 29 2.667 9.957 -1.407 227 H ARG 30 H ARG 30 8.015 3.545 0.564 228 HA ARG 30 HA ARG 30 10.373 4.897 -0.514 229 1HB ARG 30 2HB ARG 30 9.778 3.224 1.759 230 2HB ARG 30 3HB ARG 30 11.009 2.418 0.815 231 1HG ARG 30 2HG ARG 30 12.104 3.768 2.389 232 2HG ARG 30 3HG ARG 30 12.312 4.624 0.862 233 1HD ARG 30 2HD ARG 30 10.764 6.309 1.425 234 2HD ARG 30 3HD ARG 30 9.901 5.331 2.595 235 HE ARG 30 HE ARG 30 12.205 7.012 3.059 236 1HH1 ARG 30 2HH2 ARG 30 10.628 4.065 4.135 237 2HH1 ARG 30 1HH2 ARG 30 11.276 4.079 5.749 238 1HH2 ARG 30 2HH1 ARG 30 13.131 7.081 5.194 239 2HH2 ARG 30 1HH1 ARG 30 12.753 5.850 6.352 240 H MET 31 H MET 31 8.476 2.064 -1.532 241 HA MET 31 HA MET 31 10.684 0.580 -2.479 242 1HB MET 31 2HB MET 31 7.709 0.411 -2.878 243 2HB MET 31 3HB MET 31 8.739 -0.512 -3.950 244 1HG MET 31 2HG MET 31 7.868 -1.669 -1.855 245 2HG MET 31 3HG MET 31 9.542 -1.901 -2.322 246 1HE MET 31 1HE MET 31 11.617 -0.968 -1.031 247 2HE MET 31 2HE MET 31 11.476 -1.265 0.715 248 3HE MET 31 3HE MET 31 10.945 -2.507 -0.447 249 HA PRO 32 HA PRO 32 11.777 2.796 -6.133 250 1HB PRO 32 2HB PRO 32 13.157 0.883 -7.531 251 2HB PRO 32 3HB PRO 32 13.773 1.601 -6.015 252 1HG PRO 32 2HG PRO 32 12.283 -1.021 -6.339 253 2HG PRO 32 3HG PRO 32 13.813 -0.739 -5.466 254 1HD PRO 32 2HD PRO 32 11.431 -0.797 -4.179 255 2HD PRO 32 3HD PRO 32 12.690 0.385 -3.696 256 H GLY 33 H GLY 33 9.702 3.213 -7.147 257 1HA GLY 33 2HA GLY 33 9.048 2.598 -9.610 258 2HA GLY 33 3HA GLY 33 8.543 1.099 -8.878 259 H VAL 34 H VAL 34 7.966 2.804 -6.275 260 HA VAL 34 HA VAL 34 5.213 3.490 -6.909 261 HB VAL 34 HB VAL 34 6.160 2.574 -4.736 262 1HG1 VAL 34 1HG1 VAL 34 6.811 5.413 -3.956 263 2HG1 VAL 34 2HG1 VAL 34 7.427 3.856 -3.331 264 3HG1 VAL 34 3HG1 VAL 34 8.035 4.506 -4.838 265 1HG2 VAL 34 1HG2 VAL 34 4.532 3.674 -3.379 266 2HG2 VAL 34 2HG2 VAL 34 4.511 5.113 -4.421 267 3HG2 VAL 34 3HG2 VAL 34 3.880 3.566 -5.016 268 H THR 35 H THR 35 4.310 5.574 -6.895 269 HA THR 35 HA THR 35 6.260 7.863 -7.128 270 HB THR 35 HB THR 35 3.692 8.603 -8.165 271 HG1 THR 35 1HG THR 35 3.450 6.293 -8.453 272 1HG2 THR 35 1HG2 THR 35 4.966 8.949 -10.236 273 2HG2 THR 35 2HG2 THR 35 5.881 9.542 -8.838 274 3HG2 THR 35 3HG2 THR 35 6.316 7.987 -9.589 275 H ASP 36 H ASP 36 2.895 7.043 -6.086 276 HA ASP 36 HA ASP 36 3.293 8.677 -3.710 277 1HB ASP 36 2HB ASP 36 2.571 10.379 -5.389 278 2HB ASP 36 3HB ASP 36 1.125 9.414 -5.732 279 H ALA 37 H ALA 37 1.473 8.511 -2.297 280 HA ALA 37 HA ALA 37 -0.228 6.107 -2.504 281 1HB ALA 37 1HB ALA 37 0.493 5.218 -0.427 282 2HB ALA 37 2HB ALA 37 1.970 5.434 -1.403 283 3HB ALA 37 3HB ALA 37 1.569 6.564 -0.089 284 H ASN 38 H ASN 38 -2.158 6.405 -1.431 285 HA ASN 38 HA ASN 38 -2.531 8.811 0.252 286 1HB ASN 38 2HB ASN 38 -4.013 8.209 -2.334 287 2HB ASN 38 3HB ASN 38 -4.638 9.274 -1.068 288 1HD2 ASN 38 1HD2 ASN 38 -2.240 8.934 -3.620 289 2HD2 ASN 38 2HD2 ASN 38 -1.479 10.499 -3.454 290 H VAL 39 H VAL 39 -3.381 8.086 2.028 291 HA VAL 39 HA VAL 39 -4.618 5.460 2.201 292 HB VAL 39 HB VAL 39 -2.885 6.445 3.750 293 1HG1 VAL 39 1HG1 VAL 39 -3.911 8.729 4.001 294 2HG1 VAL 39 2HG1 VAL 39 -5.226 7.993 4.944 295 3HG1 VAL 39 3HG1 VAL 39 -3.561 7.923 5.536 296 1HG2 VAL 39 1HG2 VAL 39 -4.040 4.465 4.341 297 2HG2 VAL 39 2HG2 VAL 39 -3.996 5.507 5.787 298 3HG2 VAL 39 3HG2 VAL 39 -5.485 5.369 4.826 299 H ASN 40 H ASN 40 -6.780 4.958 2.766 300 HA ASN 40 HA ASN 40 -8.637 7.170 3.222 301 1HB ASN 40 2HB ASN 40 -8.676 6.589 0.780 302 2HB ASN 40 3HB ASN 40 -9.190 4.948 1.212 303 1HD2 ASN 40 1HD2 ASN 40 -11.193 5.447 -0.028 304 2HD2 ASN 40 2HD2 ASN 40 -12.487 6.125 0.945 305 H LEU 41 H LEU 41 -7.985 6.134 5.373 306 HA LEU 41 HA LEU 41 -9.188 3.622 6.055 307 1HB LEU 41 2HB LEU 41 -8.302 5.957 7.792 308 2HB LEU 41 3HB LEU 41 -8.882 4.414 8.436 309 HG LEU 41 HG LEU 41 -6.533 4.771 6.564 310 1HD1 LEU 41 1HD1 LEU 41 -6.270 3.753 9.381 311 2HD1 LEU 41 2HD1 LEU 41 -5.044 4.454 8.327 312 3HD1 LEU 41 3HD1 LEU 41 -6.273 5.510 9.035 313 1HD2 LEU 41 1HD2 LEU 41 -6.161 2.273 7.478 314 2HD2 LEU 41 2HD2 LEU 41 -7.906 2.348 7.709 315 3HD2 LEU 41 3HD2 LEU 41 -7.211 2.574 6.085 316 H ALA 42 H ALA 42 -10.641 6.640 5.455 317 HA ALA 42 HA ALA 42 -13.032 6.351 7.036 318 1HB ALA 42 1HB ALA 42 -12.417 8.435 5.793 319 2HB ALA 42 2HB ALA 42 -12.726 7.578 4.265 320 3HB ALA 42 3HB ALA 42 -14.047 7.844 5.409 321 H THR 43 H THR 43 -11.748 4.720 4.201 322 HA THR 43 HA THR 43 -14.213 3.052 3.979 323 HB THR 43 HB THR 43 -12.120 3.665 1.856 324 HG1 THR 43 1HG THR 43 -14.502 5.002 2.546 325 1HG2 THR 43 1HG2 THR 43 -13.428 1.719 1.241 326 2HG2 THR 43 2HG2 THR 43 -14.940 2.533 1.708 327 3HG2 THR 43 3HG2 THR 43 -14.007 3.098 0.303 328 H GLU 44 H GLU 44 -11.607 2.902 5.742 329 HA GLU 44 HA GLU 44 -9.938 1.456 6.281 330 1HB GLU 44 2HB GLU 44 -12.140 -0.492 5.513 331 2HB GLU 44 3HB GLU 44 -10.722 -0.899 6.487 332 1HG GLU 44 2HG GLU 44 -11.363 0.679 8.225 333 2HG GLU 44 3HG GLU 44 -12.728 1.272 7.262 334 H THR 45 H THR 45 -9.523 2.464 3.664 335 HA THR 45 HA THR 45 -8.318 0.175 2.213 336 HB THR 45 HB THR 45 -10.363 2.209 1.221 337 HG1 THR 45 1HG THR 45 -11.223 0.320 2.122 338 1HG2 THR 45 1HG2 THR 45 -10.233 1.343 -1.002 339 2HG2 THR 45 2HG2 THR 45 -8.618 1.919 -0.580 340 3HG2 THR 45 3HG2 THR 45 -8.995 0.177 -0.568 341 H VAL 46 H VAL 46 -6.642 0.796 0.799 342 HA VAL 46 HA VAL 46 -5.841 3.672 0.910 343 HB VAL 46 HB VAL 46 -4.588 2.662 2.648 344 1HG1 VAL 46 1HG1 VAL 46 -4.771 0.256 2.009 345 2HG1 VAL 46 2HG1 VAL 46 -3.668 0.526 0.653 346 3HG1 VAL 46 3HG1 VAL 46 -3.088 0.712 2.319 347 1HG2 VAL 46 1HG2 VAL 46 -2.717 2.708 0.269 348 2HG2 VAL 46 2HG2 VAL 46 -3.356 4.185 1.000 349 3HG2 VAL 46 3HG2 VAL 46 -2.366 3.098 1.979 350 H ASN 47 H ASN 47 -4.617 4.387 -0.899 351 HA ASN 47 HA ASN 47 -4.460 2.443 -3.104 352 1HB ASN 47 2HB ASN 47 -5.452 3.847 -4.681 353 2HB ASN 47 3HB ASN 47 -6.494 4.076 -3.282 354 1HD2 ASN 47 1HD2 ASN 47 -3.811 5.490 -5.216 355 2HD2 ASN 47 2HD2 ASN 47 -4.153 7.144 -4.749 356 H VAL 48 H VAL 48 -2.880 2.851 -4.660 357 HA VAL 48 HA VAL 48 -0.847 4.849 -4.056 358 HB VAL 48 HB VAL 48 -0.302 3.111 -2.444 359 1HG1 VAL 48 1HG1 VAL 48 -1.342 1.156 -3.437 360 2HG1 VAL 48 2HG1 VAL 48 -0.208 1.212 -4.813 361 3HG1 VAL 48 3HG1 VAL 48 0.375 0.827 -3.189 362 1HG2 VAL 48 1HG2 VAL 48 1.607 4.243 -3.441 363 2HG2 VAL 48 2HG2 VAL 48 2.004 2.554 -3.134 364 3HG2 VAL 48 3HG2 VAL 48 1.636 3.081 -4.788 365 H ILE 49 H ILE 49 0.371 5.381 -5.745 366 HA ILE 49 HA ILE 49 -0.386 4.205 -8.367 367 HB ILE 49 HB ILE 49 0.799 6.946 -7.833 368 1HG1 ILE 49 2HG1 ILE 49 -1.788 7.364 -8.740 369 2HG1 ILE 49 3HG1 ILE 49 -2.025 5.985 -7.666 370 1HG2 ILE 49 1HG2 ILE 49 0.100 7.366 -10.145 371 2HG2 ILE 49 2HG2 ILE 49 1.185 5.972 -10.091 372 3HG2 ILE 49 3HG2 ILE 49 -0.565 5.724 -10.270 373 1HD1 ILE 49 1HD1 ILE 49 -0.863 7.285 -5.845 374 2HD1 ILE 49 2HD1 ILE 49 -0.700 8.642 -6.985 375 3HD1 ILE 49 3HD1 ILE 49 -2.309 8.107 -6.464 376 H TYR 50 H TYR 50 1.071 2.889 -9.144 377 HA TYR 50 HA TYR 50 3.962 3.446 -8.764 378 1HB TYR 50 2HB TYR 50 4.374 0.991 -8.289 379 2HB TYR 50 3HB TYR 50 3.730 1.905 -6.966 380 HD1 TYR 50 HD1 TYR 50 2.541 -0.203 -9.914 381 HD2 TYR 50 HD2 TYR 50 2.024 0.782 -5.746 382 HE1 TYR 50 HE1 TYR 50 0.880 -1.976 -9.717 383 HE2 TYR 50 HE2 TYR 50 0.439 -1.110 -5.526 384 HH TYR 50 HH TYR 50 -0.554 -3.118 -8.270 385 H ASP 51 H ASP 51 5.349 2.016 -10.084 386 HA ASP 51 HA ASP 51 4.154 1.777 -12.758 387 1HB ASP 51 2HB ASP 51 6.042 3.287 -12.329 388 2HB ASP 51 3HB ASP 51 7.046 1.919 -11.895 389 HA PRO 52 HA PRO 52 4.574 -2.691 -11.842 390 1HB PRO 52 2HB PRO 52 3.061 -3.708 -13.821 391 2HB PRO 52 3HB PRO 52 2.353 -2.772 -12.475 392 1HG PRO 52 2HG PRO 52 3.105 -1.741 -15.228 393 2HG PRO 52 3HG PRO 52 1.535 -1.555 -14.389 394 1HD PRO 52 2HD PRO 52 3.492 0.351 -14.335 395 2HD PRO 52 3HD PRO 52 2.429 0.071 -12.917 396 H ALA 53 H ALA 53 6.538 -0.976 -13.719 397 HA ALA 53 HA ALA 53 7.573 -3.282 -15.310 398 1HB ALA 53 1HB ALA 53 8.811 -0.538 -14.841 399 2HB ALA 53 2HB ALA 53 9.319 -1.775 -16.003 400 3HB ALA 53 3HB ALA 53 7.755 -0.961 -16.207 401 H GLU 54 H GLU 54 8.476 -1.151 -12.613 402 HA GLU 54 HA GLU 54 10.459 -3.024 -11.500 403 1HB GLU 54 2HB GLU 54 9.301 -0.331 -10.617 404 2HB GLU 54 3HB GLU 54 10.471 -1.246 -9.690 405 1HG GLU 54 2HG GLU 54 11.968 -1.202 -11.799 406 2HG GLU 54 3HG GLU 54 10.845 0.016 -12.429 407 H THR 55 H THR 55 7.254 -1.755 -10.788 408 HA THR 55 HA THR 55 7.147 -3.232 -8.261 409 HB THR 55 HB THR 55 6.824 -0.369 -8.906 410 HG1 THR 55 1HG THR 55 8.876 -0.490 -7.707 411 1HG2 THR 55 1HG2 THR 55 6.979 -0.107 -6.418 412 2HG2 THR 55 2HG2 THR 55 5.469 -0.824 -6.994 413 3HG2 THR 55 3HG2 THR 55 6.716 -1.882 -6.247 414 H GLY 56 H GLY 56 5.416 -4.102 -7.515 415 1HA GLY 56 2HA GLY 56 3.083 -2.643 -7.352 416 2HA GLY 56 3HA GLY 56 2.781 -3.916 -8.566 417 H THR 57 H THR 57 1.283 -4.590 -7.029 418 HA THR 57 HA THR 57 1.128 -5.498 -4.582 419 HB THR 57 HB THR 57 -0.686 -5.768 -5.921 420 HG1 THR 57 1HG THR 57 0.081 -8.468 -5.666 421 1HG2 THR 57 1HG2 THR 57 -0.885 -7.298 -7.854 422 2HG2 THR 57 2HG2 THR 57 0.193 -5.941 -8.159 423 3HG2 THR 57 3HG2 THR 57 0.869 -7.554 -7.831 424 H ALA 58 H ALA 58 2.901 -7.431 -7.040 425 HA ALA 58 HA ALA 58 3.638 -9.637 -5.527 426 1HB ALA 58 1HB ALA 58 5.619 -9.745 -7.016 427 2HB ALA 58 2HB ALA 58 4.137 -9.376 -7.918 428 3HB ALA 58 3HB ALA 58 5.304 -8.085 -7.560 429 H ALA 59 H ALA 59 5.286 -6.447 -5.591 430 HA ALA 59 HA ALA 59 7.387 -7.364 -3.693 431 1HB ALA 59 1HB ALA 59 8.054 -5.852 -5.549 432 2HB ALA 59 2HB ALA 59 6.864 -4.650 -5.003 433 3HB ALA 59 3HB ALA 59 8.247 -5.065 -3.970 434 H ILE 60 H ILE 60 4.452 -5.480 -3.995 435 HA ILE 60 HA ILE 60 4.805 -4.041 -1.603 436 HB ILE 60 HB ILE 60 2.803 -4.298 -3.752 437 1HG1 ILE 60 2HG1 ILE 60 3.599 -1.986 -2.032 438 2HG1 ILE 60 3HG1 ILE 60 4.662 -2.588 -3.314 439 1HG2 ILE 60 1HG2 ILE 60 1.810 -3.635 -0.974 440 2HG2 ILE 60 2HG2 ILE 60 1.039 -3.010 -2.441 441 3HG2 ILE 60 3HG2 ILE 60 1.135 -4.741 -2.168 442 1HD1 ILE 60 1HD1 ILE 60 1.887 -1.424 -3.732 443 2HD1 ILE 60 2HD1 ILE 60 3.446 -0.701 -4.159 444 3HD1 ILE 60 3HD1 ILE 60 2.903 -2.169 -4.993 445 H GLN 61 H GLN 61 2.723 -6.945 -2.177 446 HA GLN 61 HA GLN 61 1.745 -7.222 0.469 447 1HB GLN 61 2HB GLN 61 2.378 -9.121 -1.779 448 2HB GLN 61 3HB GLN 61 2.250 -9.781 -0.142 449 1HG GLN 61 2HG GLN 61 0.173 -10.136 -0.969 450 2HG GLN 61 3HG GLN 61 -0.014 -8.734 0.087 451 1HE2 GLN 61 1HE2 GLN 61 0.645 -6.599 -1.462 452 2HE2 GLN 61 2HE2 GLN 61 -0.320 -6.571 -2.933 453 H GLU 62 H GLU 62 4.715 -8.567 -0.952 454 HA GLU 62 HA GLU 62 5.876 -9.764 1.221 455 1HB GLU 62 2HB GLU 62 6.656 -9.058 -1.383 456 2HB GLU 62 3HB GLU 62 7.738 -8.046 -0.437 457 1HG GLU 62 2HG GLU 62 7.420 -11.069 -0.216 458 2HG GLU 62 3HG GLU 62 8.718 -10.197 -1.058 459 H LYS 63 H LYS 63 6.157 -6.261 0.411 460 HA LYS 63 HA LYS 63 7.688 -5.851 2.828 461 1HB LYS 63 2HB LYS 63 6.996 -4.308 0.426 462 2HB LYS 63 3HB LYS 63 6.791 -3.397 1.917 463 1HG LYS 63 2HG LYS 63 9.089 -3.137 1.177 464 2HG LYS 63 3HG LYS 63 9.060 -4.079 2.668 465 1HD LYS 63 2HD LYS 63 8.873 -6.078 0.707 466 2HD LYS 63 3HD LYS 63 9.843 -4.895 -0.129 467 1HE LYS 63 2HE LYS 63 10.409 -6.123 2.629 468 2HE LYS 63 3HE LYS 63 11.119 -6.673 1.110 469 1HZ LYS 63 1HZ LYS 63 12.187 -4.552 0.874 470 2HZ LYS 63 2HZ LYS 63 11.506 -3.990 2.268 471 3HZ LYS 63 3HZ LYS 63 12.595 -5.224 2.316 472 H ILE 64 H ILE 64 4.203 -5.448 1.969 473 HA ILE 64 HA ILE 64 3.448 -4.032 4.222 474 HB ILE 64 HB ILE 64 1.923 -6.146 2.648 475 1HG1 ILE 64 2HG1 ILE 64 2.433 -4.146 1.301 476 2HG1 ILE 64 3HG1 ILE 64 0.723 -4.336 1.648 477 1HG2 ILE 64 1HG2 ILE 64 1.239 -4.463 5.043 478 2HG2 ILE 64 2HG2 ILE 64 0.000 -4.666 3.826 479 3HG2 ILE 64 3HG2 ILE 64 0.697 -6.106 4.591 480 1HD1 ILE 64 1HD1 ILE 64 2.689 -2.344 2.733 481 2HD1 ILE 64 2HD1 ILE 64 1.056 -2.096 2.030 482 3HD1 ILE 64 3HD1 ILE 64 1.221 -2.732 3.651 483 H GLU 65 H GLU 65 3.783 -7.613 3.706 484 HA GLU 65 HA GLU 65 3.053 -8.554 6.275 485 1HB GLU 65 2HB GLU 65 4.961 -9.446 4.116 486 2HB GLU 65 3HB GLU 65 4.850 -10.341 5.640 487 1HG GLU 65 2HG GLU 65 2.348 -9.694 4.040 488 2HG GLU 65 3HG GLU 65 3.373 -11.073 3.620 489 H LYS 66 H LYS 66 6.065 -7.037 5.134 490 HA LYS 66 HA LYS 66 7.526 -7.631 7.577 491 1HB LYS 66 2HB LYS 66 8.186 -6.870 4.929 492 2HB LYS 66 3HB LYS 66 8.567 -5.467 5.910 493 1HG LYS 66 2HG LYS 66 10.567 -6.785 5.931 494 2HG LYS 66 3HG LYS 66 9.807 -7.013 7.497 495 1HD LYS 66 2HD LYS 66 10.498 -9.147 6.888 496 2HD LYS 66 3HD LYS 66 8.776 -9.216 6.546 497 1HE LYS 66 2HE LYS 66 10.859 -8.534 4.407 498 2HE LYS 66 3HE LYS 66 10.497 -10.202 4.834 499 1HZ LYS 66 1HZ LYS 66 8.103 -8.715 4.094 500 2HZ LYS 66 2HZ LYS 66 9.256 -8.846 2.955 501 3HZ LYS 66 3HZ LYS 66 8.703 -10.163 3.548 502 H LEU 67 H LEU 67 5.743 -4.812 6.235 503 HA LEU 67 HA LEU 67 6.262 -3.013 8.370 504 1HB LEU 67 2HB LEU 67 4.026 -3.415 6.351 505 2HB LEU 67 3HB LEU 67 3.779 -2.315 7.664 506 HG LEU 67 HG LEU 67 4.441 -1.190 5.700 507 1HD1 LEU 67 1HD1 LEU 67 6.767 -0.998 7.645 508 2HD1 LEU 67 2HD1 LEU 67 6.092 0.284 6.628 509 3HD1 LEU 67 3HD1 LEU 67 5.142 -0.350 7.985 510 1HD2 LEU 67 1HD2 LEU 67 5.756 -2.678 4.457 511 2HD2 LEU 67 2HD2 LEU 67 6.738 -1.254 4.777 512 3HD2 LEU 67 3HD2 LEU 67 7.038 -2.737 5.702 513 H GLY 68 H GLY 68 4.519 -6.036 8.325 514 1HA GLY 68 2HA GLY 68 4.004 -7.204 10.252 515 2HA GLY 68 3HA GLY 68 3.991 -5.718 11.212 516 H TYR 69 H TYR 69 2.314 -5.996 8.076 517 HA TYR 69 HA TYR 69 -0.298 -6.449 9.446 518 1HB TYR 69 2HB TYR 69 0.256 -4.232 7.434 519 2HB TYR 69 3HB TYR 69 -1.320 -4.663 8.090 520 HD1 TYR 69 HD1 TYR 69 -2.069 -3.740 10.183 521 HD2 TYR 69 HD2 TYR 69 2.028 -3.306 8.960 522 HE1 TYR 69 HE1 TYR 69 -1.743 -1.978 11.895 523 HE2 TYR 69 HE2 TYR 69 2.407 -1.667 10.741 524 HH TYR 69 HH TYR 69 -0.297 -0.398 12.758 525 H HIS 70 H HIS 70 -1.984 -6.865 7.689 526 HA HIS 70 HA HIS 70 -0.799 -8.269 5.366 527 1HB HIS 70 2HB HIS 70 -3.122 -9.612 5.803 528 2HB HIS 70 3HB HIS 70 -1.485 -10.152 6.181 529 HD1 HIS 70 1HD HIS 70 -2.045 -11.665 8.177 530 HD2 HIS 70 2HD HIS 70 -3.571 -7.768 8.464 531 HE1 HIS 70 1HE HIS 70 -3.097 -11.454 10.501 532 H VAL 71 H VAL 71 -1.458 -7.500 3.600 533 HA VAL 71 HA VAL 71 -3.788 -5.683 3.401 534 HB VAL 71 HB VAL 71 -1.592 -4.953 2.503 535 1HG1 VAL 71 1HG1 VAL 71 -0.780 -5.820 0.377 536 2HG1 VAL 71 2HG1 VAL 71 -0.816 -7.132 1.571 537 3HG1 VAL 71 3HG1 VAL 71 -2.082 -7.016 0.319 538 1HG2 VAL 71 1HG2 VAL 71 -3.646 -3.926 1.731 539 2HG2 VAL 71 2HG2 VAL 71 -2.405 -3.991 0.471 540 3HG2 VAL 71 3HG2 VAL 71 -3.767 -5.123 0.414 541 H VAL 72 H VAL 72 -5.432 -6.026 1.769 542 HA VAL 72 HA VAL 72 -5.583 -8.850 0.739 543 HB VAL 72 HB VAL 72 -8.113 -8.481 1.050 544 1HG1 VAL 72 1HG1 VAL 72 -6.302 -9.061 3.417 545 2HG1 VAL 72 2HG1 VAL 72 -8.019 -9.511 3.270 546 3HG1 VAL 72 3HG1 VAL 72 -6.823 -10.223 2.169 547 1HG2 VAL 72 1HG2 VAL 72 -7.113 -6.716 3.350 548 2HG2 VAL 72 2HG2 VAL 72 -7.944 -6.130 1.886 549 3HG2 VAL 72 3HG2 VAL 72 -8.782 -7.206 3.015 550 H ILE 73 H ILE 73 -5.132 -8.613 -1.344 551 HA ILE 73 HA ILE 73 -6.565 -6.507 -2.908 552 HB ILE 73 HB ILE 73 -4.106 -8.079 -3.736 553 1HG1 ILE 73 2HG1 ILE 73 -4.385 -5.396 -2.336 554 2HG1 ILE 73 3HG1 ILE 73 -3.422 -6.797 -1.847 555 1HG2 ILE 73 1HG2 ILE 73 -4.008 -6.427 -5.530 556 2HG2 ILE 73 2HG2 ILE 73 -5.620 -7.128 -5.532 557 3HG2 ILE 73 3HG2 ILE 73 -5.369 -5.520 -4.828 558 1HD1 ILE 73 1HD1 ILE 73 -2.065 -6.487 -3.933 559 2HD1 ILE 73 2HD1 ILE 73 -2.893 -4.928 -4.178 560 3HD1 ILE 73 3HD1 ILE 73 -1.916 -5.187 -2.722 561 H GLU 74 H GLU 74 -8.534 -7.614 -3.049 562 HA GLU 74 HA GLU 74 -8.600 -9.588 -5.194 563 1HB GLU 74 2HB GLU 74 -8.521 -10.936 -3.044 564 2HB GLU 74 3HB GLU 74 -9.972 -10.076 -2.498 565 1HG GLU 74 2HG GLU 74 -10.644 -12.214 -3.352 566 2HG GLU 74 3HG GLU 74 -11.169 -11.020 -4.546 567 H GLY 75 H GLY 75 -10.021 -8.517 -6.595 568 1HA GLY 75 2HA GLY 75 -12.579 -7.677 -6.003 569 2HA GLY 75 3HA GLY 75 -11.592 -6.270 -5.587 570 H ARG 76 H ARG 76 -10.266 -5.286 -7.303 571 HA ARG 76 HA ARG 76 -11.602 -5.519 -9.958 572 1HB ARG 76 2HB ARG 76 -11.205 -3.255 -10.337 573 2HB ARG 76 3HB ARG 76 -11.876 -3.368 -8.718 574 1HG ARG 76 2HG ARG 76 -10.216 -1.763 -8.514 575 2HG ARG 76 3HG ARG 76 -9.441 -3.196 -7.846 576 1HD ARG 76 2HD ARG 76 -7.998 -3.453 -9.684 577 2HD ARG 76 3HD ARG 76 -9.034 -2.597 -10.802 578 HE ARG 76 HE ARG 76 -6.890 -1.562 -9.200 579 1HH1 ARG 76 2HH2 ARG 76 -10.048 -0.675 -10.386 580 2HH1 ARG 76 1HH2 ARG 76 -9.710 1.017 -10.628 581 1HH2 ARG 76 2HH1 ARG 76 -6.274 0.731 -9.685 582 2HH2 ARG 76 1HH1 ARG 76 -7.541 1.810 -10.104 Start of MODEL 4 1 1H MET 1 H1 MET 1 4.979 -3.204 -24.229 2 2H MET 1 H2 MET 1 5.791 -4.439 -24.981 3 3H MET 1 H3 MET 1 6.448 -3.658 -23.676 4 HA MET 1 HA MET 1 7.539 -2.928 -25.632 5 1HB MET 1 2HB MET 1 4.702 -2.207 -26.474 6 2HB MET 1 3HB MET 1 6.127 -1.389 -27.138 7 1HG MET 1 2HG MET 1 7.042 -3.496 -27.944 8 2HG MET 1 3HG MET 1 5.647 -4.383 -27.302 9 1HE MET 1 1HE MET 1 5.419 -5.501 -29.713 10 2HE MET 1 2HE MET 1 5.223 -4.556 -31.208 11 3HE MET 1 3HE MET 1 6.770 -4.515 -30.333 12 H LEU 2 H LEU 2 5.035 -0.443 -25.266 13 HA LEU 2 HA LEU 2 6.704 1.254 -23.658 14 1HB LEU 2 2HB LEU 2 4.731 2.647 -23.466 15 2HB LEU 2 3HB LEU 2 4.926 2.071 -25.115 16 HG LEU 2 HG LEU 2 3.235 0.123 -24.079 17 1HD1 LEU 2 1HD1 LEU 2 2.425 2.789 -22.827 18 2HD1 LEU 2 2HD1 LEU 2 1.448 1.311 -22.861 19 3HD1 LEU 2 3HD1 LEU 2 2.952 1.348 -21.934 20 1HD2 LEU 2 1HD2 LEU 2 2.968 1.276 -26.230 21 2HD2 LEU 2 2HD2 LEU 2 1.453 1.295 -25.313 22 3HD2 LEU 2 3HD2 LEU 2 2.457 2.757 -25.390 23 H SER 3 H SER 3 5.893 2.000 -21.441 24 HA SER 3 HA SER 3 4.669 -0.106 -19.784 25 1HB SER 3 2HB SER 3 7.181 -0.075 -19.312 26 2HB SER 3 3HB SER 3 7.000 1.636 -18.856 27 HG SER 3 HG SER 3 6.652 0.591 -16.953 28 H GLU 4 H GLU 4 3.581 1.010 -17.891 29 HA GLU 4 HA GLU 4 3.382 3.825 -17.877 30 1HB GLU 4 2HB GLU 4 1.631 2.624 -19.720 31 2HB GLU 4 3HB GLU 4 0.655 2.640 -18.237 32 1HG GLU 4 2HG GLU 4 1.304 5.021 -17.937 33 2HG GLU 4 3HG GLU 4 2.125 4.976 -19.512 34 H GLN 5 H GLN 5 2.492 4.463 -15.909 35 HA GLN 5 HA GLN 5 2.563 2.391 -13.841 36 1HB GLN 5 2HB GLN 5 2.629 4.257 -12.302 37 2HB GLN 5 3HB GLN 5 3.821 4.479 -13.588 38 1HG GLN 5 2HG GLN 5 2.098 6.034 -14.720 39 2HG GLN 5 3HG GLN 5 1.141 5.908 -13.237 40 1HE2 GLN 5 1HE2 GLN 5 3.306 5.854 -11.320 41 2HE2 GLN 5 2HE2 GLN 5 4.147 7.350 -11.397 42 H LYS 6 H LYS 6 0.935 2.493 -11.991 43 HA LYS 6 HA LYS 6 -1.619 3.669 -12.675 44 1HB LYS 6 2HB LYS 6 -1.183 0.699 -13.017 45 2HB LYS 6 3HB LYS 6 -2.621 1.184 -12.126 46 1HG LYS 6 2HG LYS 6 -2.936 2.891 -14.162 47 2HG LYS 6 3HG LYS 6 -1.959 1.687 -15.007 48 1HD LYS 6 2HD LYS 6 -3.622 -0.068 -14.314 49 2HD LYS 6 3HD LYS 6 -4.525 1.182 -13.429 50 1HE LYS 6 2HE LYS 6 -4.507 2.444 -15.787 51 2HE LYS 6 3HE LYS 6 -4.193 0.828 -16.433 52 1HZ LYS 6 1HZ LYS 6 -6.477 1.656 -14.760 53 2HZ LYS 6 2HZ LYS 6 -6.520 1.357 -16.377 54 3HZ LYS 6 3HZ LYS 6 -6.233 0.122 -15.319 55 H GLU 7 H GLU 7 -3.197 3.464 -11.135 56 HA GLU 7 HA GLU 7 -2.332 3.418 -8.329 57 1HB GLU 7 2HB GLU 7 -4.790 4.171 -8.106 58 2HB GLU 7 3HB GLU 7 -3.626 5.313 -8.771 59 1HG GLU 7 2HG GLU 7 -4.426 4.959 -11.041 60 2HG GLU 7 3HG GLU 7 -5.499 3.647 -10.489 61 H ILE 8 H ILE 8 -2.582 1.573 -7.180 62 HA ILE 8 HA ILE 8 -4.850 -0.229 -7.870 63 HB ILE 8 HB ILE 8 -2.386 -1.132 -7.683 64 1HG1 ILE 8 2HG1 ILE 8 -3.259 -3.190 -6.365 65 2HG1 ILE 8 3HG1 ILE 8 -4.822 -2.357 -6.366 66 1HG2 ILE 8 1HG2 ILE 8 -1.675 -1.751 -5.443 67 2HG2 ILE 8 2HG2 ILE 8 -1.808 0.008 -5.620 68 3HG2 ILE 8 3HG2 ILE 8 -3.042 -0.899 -4.720 69 1HD1 ILE 8 1HD1 ILE 8 -3.088 -3.052 -8.785 70 2HD1 ILE 8 2HD1 ILE 8 -4.600 -3.863 -8.315 71 3HD1 ILE 8 3HD1 ILE 8 -4.627 -2.175 -8.884 72 H ALA 9 H ALA 9 -6.298 -0.638 -6.152 73 HA ALA 9 HA ALA 9 -5.971 0.868 -3.632 74 1HB ALA 9 1HB ALA 9 -7.455 2.267 -5.046 75 2HB ALA 9 2HB ALA 9 -8.501 0.860 -5.334 76 3HB ALA 9 3HB ALA 9 -8.343 1.532 -3.696 77 H MET 10 H MET 10 -6.327 -0.511 -1.922 78 HA MET 10 HA MET 10 -8.166 -2.790 -2.229 79 1HB MET 10 2HB MET 10 -6.491 -4.456 -1.782 80 2HB MET 10 3HB MET 10 -6.138 -3.634 -3.292 81 1HG MET 10 2HG MET 10 -4.478 -2.190 -2.119 82 2HG MET 10 3HG MET 10 -4.810 -3.098 -0.630 83 1HE MET 10 1HE MET 10 -1.268 -3.860 -2.863 84 2HE MET 10 2HE MET 10 -2.436 -2.655 -3.433 85 3HE MET 10 3HE MET 10 -1.888 -2.617 -1.738 86 H GLN 11 H GLN 11 -8.003 -4.118 -0.123 87 HA GLN 11 HA GLN 11 -8.279 -2.150 2.085 88 1HB GLN 11 2HB GLN 11 -9.381 -4.971 2.031 89 2HB GLN 11 3HB GLN 11 -9.703 -3.690 3.176 90 1HG GLN 11 2HG GLN 11 -11.603 -3.919 1.723 91 2HG GLN 11 3HG GLN 11 -10.832 -2.357 1.445 92 1HE2 GLN 11 1HE2 GLN 11 -9.794 -5.585 0.168 93 2HE2 GLN 11 2HE2 GLN 11 -10.008 -5.122 -1.516 94 H VAL 12 H VAL 12 -7.427 -2.604 4.124 95 HA VAL 12 HA VAL 12 -5.300 -4.670 4.229 96 HB VAL 12 HB VAL 12 -4.840 -2.242 5.878 97 1HG1 VAL 12 1HG1 VAL 12 -3.245 -4.144 5.712 98 2HG1 VAL 12 2HG1 VAL 12 -3.085 -3.774 3.973 99 3HG1 VAL 12 3HG1 VAL 12 -2.555 -2.599 5.174 100 1HG2 VAL 12 1HG2 VAL 12 -3.795 -0.986 4.016 101 2HG2 VAL 12 2HG2 VAL 12 -4.515 -2.128 2.850 102 3HG2 VAL 12 3HG2 VAL 12 -5.549 -1.055 3.826 103 H SER 13 H SER 13 -4.779 -5.460 6.402 104 HA SER 13 HA SER 13 -7.077 -5.177 8.292 105 1HB SER 13 2HB SER 13 -5.987 -7.392 7.580 106 2HB SER 13 3HB SER 13 -4.613 -6.880 8.599 107 HG SER 13 HG SER 13 -6.206 -8.165 9.718 108 H GLY 14 H GLY 14 -6.675 -4.358 10.400 109 1HA GLY 14 2HA GLY 14 -5.623 -3.229 12.106 110 2HA GLY 14 3HA GLY 14 -4.080 -3.698 11.384 111 H MET 15 H MET 15 -6.701 -1.209 11.311 112 HA MET 15 HA MET 15 -4.778 0.819 10.523 113 1HB MET 15 2HB MET 15 -6.332 1.652 8.849 114 2HB MET 15 3HB MET 15 -5.640 0.071 8.448 115 1HG MET 15 2HG MET 15 -7.793 -0.972 9.284 116 2HG MET 15 3HG MET 15 -8.436 0.662 9.510 117 1HE MET 15 1HE MET 15 -6.757 -1.612 6.958 118 2HE MET 15 2HE MET 15 -7.408 -1.032 5.398 119 3HE MET 15 3HE MET 15 -6.194 -0.070 6.265 120 H THR 16 H THR 16 -6.280 2.976 10.530 121 HA THR 16 HA THR 16 -7.186 4.490 11.951 122 HB THR 16 HB THR 16 -9.202 2.356 12.732 123 HG1 THR 16 1HG THR 16 -10.136 2.655 10.696 124 1HG2 THR 16 1HG2 THR 16 -9.487 5.286 11.888 125 2HG2 THR 16 2HG2 THR 16 -10.802 4.214 12.405 126 3HG2 THR 16 3HG2 THR 16 -9.554 4.698 13.562 127 H CYS 17 H CYS 17 -5.024 3.002 13.038 128 HA CYS 17 HA CYS 17 -5.594 3.163 15.958 129 1HB CYS 17 2HB CYS 17 -5.274 0.741 14.490 130 2HB CYS 17 3HB CYS 17 -3.720 0.986 15.297 131 HG CYS 17 HG CYS 17 -6.742 1.076 16.561 132 H ALA 18 H ALA 18 -4.758 5.300 15.070 133 HA ALA 18 HA ALA 18 -3.172 6.898 15.009 134 1HB ALA 18 1HB ALA 18 -1.361 4.952 16.488 135 2HB ALA 18 2HB ALA 18 -1.171 6.706 16.341 136 3HB ALA 18 3HB ALA 18 -2.558 6.041 17.224 137 H ALA 19 H ALA 19 -3.193 6.760 12.733 138 HA ALA 19 HA ALA 19 -2.207 6.805 10.694 139 1HB ALA 19 1HB ALA 19 0.118 7.533 10.690 140 2HB ALA 19 2HB ALA 19 -0.737 8.291 12.043 141 3HB ALA 19 3HB ALA 19 0.356 6.921 12.336 142 H CYS 20 H CYS 20 -2.705 4.121 11.645 143 HA CYS 20 HA CYS 20 -0.431 2.408 11.184 144 1HB CYS 20 2HB CYS 20 -3.381 2.034 11.532 145 2HB CYS 20 3HB CYS 20 -2.438 0.679 10.866 146 HG CYS 20 HG CYS 20 -1.613 2.334 13.588 147 H ALA 21 H ALA 21 -3.422 2.739 9.174 148 HA ALA 21 HA ALA 21 -2.404 1.407 6.929 149 1HB ALA 21 1HB ALA 21 -4.756 1.842 7.161 150 2HB ALA 21 2HB ALA 21 -4.467 3.594 7.083 151 3HB ALA 21 3HB ALA 21 -4.179 2.568 5.655 152 H ALA 22 H ALA 22 -2.143 4.772 7.920 153 HA ALA 22 HA ALA 22 -0.898 5.794 5.564 154 1HB ALA 22 1HB ALA 22 -1.823 7.254 7.294 155 2HB ALA 22 2HB ALA 22 -0.696 6.610 8.501 156 3HB ALA 22 3HB ALA 22 -0.080 7.574 7.133 157 H ARG 23 H ARG 23 0.546 4.357 8.586 158 HA ARG 23 HA ARG 23 3.244 4.584 7.662 159 1HB ARG 23 2HB ARG 23 1.895 2.877 9.766 160 2HB ARG 23 3HB ARG 23 3.623 2.737 9.430 161 1HG ARG 23 2HG ARG 23 2.368 5.444 9.971 162 2HG ARG 23 3HG ARG 23 2.837 4.383 11.306 163 1HD ARG 23 2HD ARG 23 5.125 4.469 10.763 164 2HD ARG 23 3HD ARG 23 4.821 5.021 9.104 165 HE ARG 23 HE ARG 23 3.829 6.910 11.042 166 1HH1 ARG 23 2HH2 ARG 23 6.823 5.763 9.599 167 2HH1 ARG 23 1HH2 ARG 23 7.633 7.299 9.610 168 1HH2 ARG 23 2HH1 ARG 23 4.855 8.994 11.081 169 2HH2 ARG 23 1HH1 ARG 23 6.476 9.183 10.500 170 H ILE 24 H ILE 24 0.944 1.871 7.520 171 HA ILE 24 HA ILE 24 2.400 -0.090 6.191 172 HB ILE 24 HB ILE 24 -0.433 0.923 5.978 173 1HG1 ILE 24 2HG1 ILE 24 0.451 -1.738 7.014 174 2HG1 ILE 24 3HG1 ILE 24 0.404 -0.310 8.052 175 1HG2 ILE 24 1HG2 ILE 24 -1.189 -0.430 4.396 176 2HG2 ILE 24 2HG2 ILE 24 0.468 -0.521 3.834 177 3HG2 ILE 24 3HG2 ILE 24 -0.168 -1.790 4.876 178 1HD1 ILE 24 1HD1 ILE 24 -1.883 -0.345 8.238 179 2HD1 ILE 24 2HD1 ILE 24 -2.136 -0.832 6.555 180 3HD1 ILE 24 3HD1 ILE 24 -1.711 -2.030 7.769 181 H GLU 25 H GLU 25 0.444 2.487 4.525 182 HA GLU 25 HA GLU 25 1.734 1.742 2.095 183 1HB GLU 25 2HB GLU 25 -0.532 3.292 2.798 184 2HB GLU 25 3HB GLU 25 0.524 4.371 1.903 185 1HG GLU 25 2HG GLU 25 -0.875 3.244 0.251 186 2HG GLU 25 3HG GLU 25 0.791 2.674 0.081 187 H LYS 26 H LYS 26 2.501 4.299 4.460 188 HA LYS 26 HA LYS 26 4.130 5.909 2.829 189 1HB LYS 26 2HB LYS 26 3.976 5.279 5.762 190 2HB LYS 26 3HB LYS 26 5.332 6.195 5.182 191 1HG LYS 26 2HG LYS 26 2.538 7.058 4.375 192 2HG LYS 26 3HG LYS 26 3.163 7.433 5.993 193 1HD LYS 26 2HD LYS 26 5.167 8.527 5.006 194 2HD LYS 26 3HD LYS 26 4.625 8.096 3.389 195 1HE LYS 26 2HE LYS 26 4.143 10.438 3.795 196 2HE LYS 26 3HE LYS 26 2.630 9.535 3.610 197 1HZ LYS 26 1HZ LYS 26 3.824 10.363 6.180 198 2HZ LYS 26 2HZ LYS 26 2.561 11.099 5.431 199 3HZ LYS 26 3HZ LYS 26 2.391 9.567 5.994 200 H GLY 27 H GLY 27 4.818 2.840 4.559 201 1HA GLY 27 2HA GLY 27 7.597 2.656 3.934 202 2HA GLY 27 3HA GLY 27 6.474 1.298 4.075 203 H LEU 28 H LEU 28 4.668 1.700 1.993 204 HA LEU 28 HA LEU 28 6.202 0.821 -0.265 205 1HB LEU 28 2HB LEU 28 3.329 1.748 -0.133 206 2HB LEU 28 3HB LEU 28 4.099 0.927 -1.488 207 HG LEU 28 HG LEU 28 3.794 -0.259 1.290 208 1HD1 LEU 28 1HD1 LEU 28 2.106 -1.688 -0.027 209 2HD1 LEU 28 2HD1 LEU 28 1.683 -0.027 0.390 210 3HD1 LEU 28 3HD1 LEU 28 2.161 -0.412 -1.258 211 1HD2 LEU 28 1HD2 LEU 28 5.102 -1.300 -1.248 212 2HD2 LEU 28 2HD2 LEU 28 5.670 -1.351 0.418 213 3HD2 LEU 28 3HD2 LEU 28 4.354 -2.410 -0.090 214 H LYS 29 H LYS 29 4.967 4.012 0.688 215 HA LYS 29 HA LYS 29 5.526 5.306 -1.790 216 1HB LYS 29 2HB LYS 29 4.080 6.273 -0.247 217 2HB LYS 29 3HB LYS 29 5.303 6.422 1.004 218 1HG LYS 29 2HG LYS 29 6.565 8.081 -0.230 219 2HG LYS 29 3HG LYS 29 5.527 7.863 -1.638 220 1HD LYS 29 2HD LYS 29 4.814 9.199 1.004 221 2HD LYS 29 3HD LYS 29 4.864 9.897 -0.628 222 1HE LYS 29 2HE LYS 29 3.078 8.066 -1.167 223 2HE LYS 29 3HE LYS 29 2.819 8.004 0.588 224 1HZ LYS 29 1HZ LYS 29 1.251 9.421 -0.313 225 2HZ LYS 29 2HZ LYS 29 2.340 10.494 0.328 226 3HZ LYS 29 3HZ LYS 29 2.239 10.171 -1.303 227 H ARG 30 H ARG 30 7.745 3.917 0.474 228 HA ARG 30 HA ARG 30 10.008 5.389 -0.791 229 1HB ARG 30 2HB ARG 30 9.613 3.976 1.824 230 2HB ARG 30 3HB ARG 30 11.125 3.663 1.023 231 1HG ARG 30 2HG ARG 30 11.665 5.478 2.300 232 2HG ARG 30 3HG ARG 30 11.371 6.222 0.731 233 1HD ARG 30 2HD ARG 30 8.859 6.131 2.176 234 2HD ARG 30 3HD ARG 30 10.072 6.694 3.313 235 HE ARG 30 HE ARG 30 8.850 8.146 1.196 236 1HH1 ARG 30 2HH2 ARG 30 12.080 7.696 2.486 237 2HH1 ARG 30 1HH2 ARG 30 12.615 9.329 2.221 238 1HH2 ARG 30 2HH1 ARG 30 9.469 10.363 0.891 239 2HH2 ARG 30 1HH1 ARG 30 11.073 10.881 1.288 240 H MET 31 H MET 31 8.177 2.665 -1.609 241 HA MET 31 HA MET 31 10.398 0.887 -2.070 242 1HB MET 31 2HB MET 31 7.472 0.806 -2.834 243 2HB MET 31 3HB MET 31 8.607 -0.357 -3.499 244 1HG MET 31 2HG MET 31 8.397 0.155 -0.519 245 2HG MET 31 3HG MET 31 7.438 -1.077 -1.349 246 1HE MET 31 1HE MET 31 9.973 -3.793 -2.317 247 2HE MET 31 2HE MET 31 8.260 -3.371 -2.101 248 3HE MET 31 3HE MET 31 9.227 -2.569 -3.365 249 HA PRO 32 HA PRO 32 11.908 2.677 -5.755 250 1HB PRO 32 2HB PRO 32 13.284 0.631 -6.895 251 2HB PRO 32 3HB PRO 32 13.784 1.367 -5.346 252 1HG PRO 32 2HG PRO 32 12.125 -1.150 -5.726 253 2HG PRO 32 3HG PRO 32 13.586 -0.954 -4.715 254 1HD PRO 32 2HD PRO 32 11.109 -0.748 -3.651 255 2HD PRO 32 3HD PRO 32 12.403 0.374 -3.129 256 H GLY 33 H GLY 33 9.814 3.064 -6.744 257 1HA GLY 33 2HA GLY 33 9.322 2.709 -9.289 258 2HA GLY 33 3HA GLY 33 8.865 1.120 -8.793 259 H VAL 34 H VAL 34 8.027 2.731 -6.051 260 HA VAL 34 HA VAL 34 5.293 3.250 -6.745 261 HB VAL 34 HB VAL 34 6.353 2.711 -4.484 262 1HG1 VAL 34 1HG1 VAL 34 6.749 5.707 -4.209 263 2HG1 VAL 34 2HG1 VAL 34 7.443 4.377 -3.260 264 3HG1 VAL 34 3HG1 VAL 34 8.049 4.706 -4.868 265 1HG2 VAL 34 1HG2 VAL 34 3.981 3.399 -4.836 266 2HG2 VAL 34 2HG2 VAL 34 4.617 3.850 -3.261 267 3HG2 VAL 34 3HG2 VAL 34 4.439 5.084 -4.514 268 H THR 35 H THR 35 4.294 5.378 -6.741 269 HA THR 35 HA THR 35 6.112 7.696 -7.219 270 HB THR 35 HB THR 35 3.459 8.186 -8.287 271 HG1 THR 35 1HG THR 35 4.838 5.883 -9.196 272 1HG2 THR 35 1HG2 THR 35 5.643 9.342 -8.844 273 2HG2 THR 35 2HG2 THR 35 6.139 7.880 -9.727 274 3HG2 THR 35 3HG2 THR 35 4.721 8.825 -10.252 275 H ASP 36 H ASP 36 2.844 6.716 -6.009 276 HA ASP 36 HA ASP 36 3.220 8.485 -3.719 277 1HB ASP 36 2HB ASP 36 2.268 10.098 -5.282 278 2HB ASP 36 3HB ASP 36 0.993 8.963 -5.747 279 H ALA 37 H ALA 37 1.330 8.252 -2.244 280 HA ALA 37 HA ALA 37 -0.240 5.839 -2.423 281 1HB ALA 37 1HB ALA 37 0.553 4.829 -0.407 282 2HB ALA 37 2HB ALA 37 1.965 4.996 -1.466 283 3HB ALA 37 3HB ALA 37 1.721 6.109 -0.099 284 H ASN 38 H ASN 38 -2.065 5.963 -1.078 285 HA ASN 38 HA ASN 38 -2.479 8.435 0.479 286 1HB ASN 38 2HB ASN 38 -3.149 8.138 -2.384 287 2HB ASN 38 3HB ASN 38 -4.585 8.409 -1.400 288 1HD2 ASN 38 1HD2 ASN 38 -1.714 10.027 -2.784 289 2HD2 ASN 38 2HD2 ASN 38 -2.110 11.544 -2.027 290 H VAL 39 H VAL 39 -3.635 7.863 2.167 291 HA VAL 39 HA VAL 39 -4.966 5.267 2.246 292 HB VAL 39 HB VAL 39 -3.443 5.884 4.021 293 1HG1 VAL 39 1HG1 VAL 39 -3.976 7.667 5.657 294 2HG1 VAL 39 2HG1 VAL 39 -3.606 8.328 4.067 295 3HG1 VAL 39 3HG1 VAL 39 -5.293 8.232 4.616 296 1HG2 VAL 39 1HG2 VAL 39 -5.358 4.439 4.601 297 2HG2 VAL 39 2HG2 VAL 39 -4.841 5.460 5.965 298 3HG2 VAL 39 3HG2 VAL 39 -6.297 5.877 5.058 299 H ASN 40 H ASN 40 -7.080 4.769 2.726 300 HA ASN 40 HA ASN 40 -9.030 6.965 2.784 301 1HB ASN 40 2HB ASN 40 -8.791 6.013 0.453 302 2HB ASN 40 3HB ASN 40 -9.371 4.466 1.073 303 1HD2 ASN 40 1HD2 ASN 40 -11.158 4.976 -0.611 304 2HD2 ASN 40 2HD2 ASN 40 -12.538 5.841 0.040 305 H LEU 41 H LEU 41 -8.710 6.326 5.115 306 HA LEU 41 HA LEU 41 -9.777 3.858 6.086 307 1HB LEU 41 2HB LEU 41 -9.703 6.569 7.473 308 2HB LEU 41 3HB LEU 41 -10.026 5.009 8.237 309 HG LEU 41 HG LEU 41 -7.435 5.946 6.978 310 1HD1 LEU 41 1HD1 LEU 41 -8.098 4.966 9.780 311 2HD1 LEU 41 2HD1 LEU 41 -6.526 5.566 9.233 312 3HD1 LEU 41 3HD1 LEU 41 -7.913 6.675 9.315 313 1HD2 LEU 41 1HD2 LEU 41 -6.555 3.688 7.791 314 2HD2 LEU 41 2HD2 LEU 41 -8.236 3.160 7.939 315 3HD2 LEU 41 3HD2 LEU 41 -7.565 3.600 6.347 316 H ALA 42 H ALA 42 -11.415 6.575 4.700 317 HA ALA 42 HA ALA 42 -13.960 6.282 6.004 318 1HB ALA 42 1HB ALA 42 -13.276 8.249 4.571 319 2HB ALA 42 2HB ALA 42 -13.426 7.190 3.148 320 3HB ALA 42 3HB ALA 42 -14.844 7.534 4.141 321 H THR 43 H THR 43 -12.192 4.281 3.776 322 HA THR 43 HA THR 43 -14.563 2.500 3.497 323 HB THR 43 HB THR 43 -12.474 3.143 1.363 324 HG1 THR 43 1HG THR 43 -14.954 4.283 1.987 325 1HG2 THR 43 1HG2 THR 43 -15.123 1.652 1.274 326 2HG2 THR 43 2HG2 THR 43 -14.250 2.232 -0.165 327 3HG2 THR 43 3HG2 THR 43 -13.508 1.013 0.874 328 H GLU 44 H GLU 44 -12.070 2.702 5.388 329 HA GLU 44 HA GLU 44 -10.272 1.524 5.997 330 1HB GLU 44 2HB GLU 44 -12.461 -0.533 5.587 331 2HB GLU 44 3HB GLU 44 -10.957 -0.960 6.395 332 1HG GLU 44 2HG GLU 44 -11.393 0.307 8.264 333 2HG GLU 44 3HG GLU 44 -12.302 1.542 7.388 334 H THR 45 H THR 45 -9.749 2.286 3.518 335 HA THR 45 HA THR 45 -8.433 -0.017 2.149 336 HB THR 45 HB THR 45 -10.341 2.135 1.081 337 HG1 THR 45 1HG THR 45 -11.268 0.181 1.847 338 1HG2 THR 45 1HG2 THR 45 -10.073 1.290 -1.180 339 2HG2 THR 45 2HG2 THR 45 -8.555 1.988 -0.613 340 3HG2 THR 45 3HG2 THR 45 -8.771 0.221 -0.673 341 H VAL 46 H VAL 46 -6.702 0.637 0.754 342 HA VAL 46 HA VAL 46 -5.860 3.472 1.000 343 HB VAL 46 HB VAL 46 -4.795 2.156 2.799 344 1HG1 VAL 46 1HG1 VAL 46 -3.141 0.433 2.299 345 2HG1 VAL 46 2HG1 VAL 46 -4.675 -0.040 1.563 346 3HG1 VAL 46 3HG1 VAL 46 -3.386 0.636 0.556 347 1HG2 VAL 46 1HG2 VAL 46 -2.372 2.596 2.058 348 2HG2 VAL 46 2HG2 VAL 46 -3.124 3.563 0.777 349 3HG2 VAL 46 3HG2 VAL 46 -3.420 3.896 2.503 350 H ASN 47 H ASN 47 -4.579 4.172 -0.727 351 HA ASN 47 HA ASN 47 -4.628 2.426 -3.127 352 1HB ASN 47 2HB ASN 47 -6.291 4.237 -3.235 353 2HB ASN 47 3HB ASN 47 -5.039 5.435 -2.880 354 1HD2 ASN 47 1HD2 ASN 47 -3.310 5.790 -4.543 355 2HD2 ASN 47 2HD2 ASN 47 -3.735 5.434 -6.210 356 H VAL 48 H VAL 48 -2.754 2.339 -4.348 357 HA VAL 48 HA VAL 48 -0.605 4.236 -3.731 358 HB VAL 48 HB VAL 48 -0.105 2.455 -2.208 359 1HG1 VAL 48 1HG1 VAL 48 -1.218 0.552 -3.339 360 2HG1 VAL 48 2HG1 VAL 48 0.066 0.572 -4.580 361 3HG1 VAL 48 3HG1 VAL 48 0.454 0.194 -2.895 362 1HG2 VAL 48 1HG2 VAL 48 2.182 1.950 -2.910 363 2HG2 VAL 48 2HG2 VAL 48 1.800 2.399 -4.583 364 3HG2 VAL 48 3HG2 VAL 48 1.771 3.625 -3.304 365 H ILE 49 H ILE 49 0.484 4.901 -5.400 366 HA ILE 49 HA ILE 49 -0.238 3.837 -8.076 367 HB ILE 49 HB ILE 49 0.911 6.520 -7.270 368 1HG1 ILE 49 2HG1 ILE 49 -1.709 6.554 -8.600 369 2HG1 ILE 49 3HG1 ILE 49 -1.792 5.652 -7.088 370 1HG2 ILE 49 1HG2 ILE 49 -0.079 5.511 -9.976 371 2HG2 ILE 49 2HG2 ILE 49 0.456 7.167 -9.615 372 3HG2 ILE 49 3HG2 ILE 49 1.609 5.830 -9.550 373 1HD1 ILE 49 1HD1 ILE 49 -0.837 7.550 -5.866 374 2HD1 ILE 49 2HD1 ILE 49 -0.665 8.459 -7.395 375 3HD1 ILE 49 3HD1 ILE 49 -2.278 8.050 -6.771 376 H TYR 50 H TYR 50 1.312 2.721 -9.159 377 HA TYR 50 HA TYR 50 4.160 3.273 -8.646 378 1HB TYR 50 2HB TYR 50 4.578 0.776 -8.415 379 2HB TYR 50 3HB TYR 50 3.906 1.541 -7.010 380 HD1 TYR 50 HD1 TYR 50 2.015 0.466 -6.018 381 HD2 TYR 50 HD2 TYR 50 2.843 -0.303 -10.180 382 HE1 TYR 50 HE1 TYR 50 0.402 -1.415 -6.029 383 HE2 TYR 50 HE2 TYR 50 1.047 -1.956 -10.245 384 HH TYR 50 HH TYR 50 -0.528 -3.141 -8.982 385 H ASP 51 H ASP 51 5.565 1.937 -10.073 386 HA ASP 51 HA ASP 51 4.359 1.833 -12.764 387 1HB ASP 51 2HB ASP 51 6.118 3.448 -12.260 388 2HB ASP 51 3HB ASP 51 7.242 2.159 -11.910 389 HA PRO 52 HA PRO 52 4.966 -2.653 -12.256 390 1HB PRO 52 2HB PRO 52 3.917 -3.536 -14.560 391 2HB PRO 52 3HB PRO 52 2.909 -2.734 -13.322 392 1HG PRO 52 2HG PRO 52 4.172 -1.450 -15.770 393 2HG PRO 52 3HG PRO 52 2.451 -1.391 -15.280 394 1HD PRO 52 2HD PRO 52 4.230 0.576 -14.649 395 2HD PRO 52 3HD PRO 52 2.921 0.107 -13.514 396 H ALA 53 H ALA 53 7.073 -0.664 -13.761 397 HA ALA 53 HA ALA 53 8.432 -2.698 -15.444 398 1HB ALA 53 1HB ALA 53 8.614 -0.303 -16.019 399 2HB ALA 53 2HB ALA 53 9.367 0.032 -14.446 400 3HB ALA 53 3HB ALA 53 10.196 -1.003 -15.623 401 H GLU 54 H GLU 54 8.847 -0.965 -12.417 402 HA GLU 54 HA GLU 54 10.859 -2.852 -11.322 403 1HB GLU 54 2HB GLU 54 9.674 -0.168 -10.484 404 2HB GLU 54 3HB GLU 54 10.815 -1.068 -9.509 405 1HG GLU 54 2HG GLU 54 11.380 -0.083 -12.349 406 2HG GLU 54 3HG GLU 54 11.847 0.763 -10.868 407 H THR 55 H THR 55 7.595 -1.584 -10.786 408 HA THR 55 HA THR 55 7.301 -3.117 -8.293 409 HB THR 55 HB THR 55 6.721 -0.270 -8.887 410 HG1 THR 55 1HG THR 55 8.844 -1.777 -7.919 411 1HG2 THR 55 1HG2 THR 55 6.533 -0.113 -6.450 412 2HG2 THR 55 2HG2 THR 55 5.238 -1.065 -7.193 413 3HG2 THR 55 3HG2 THR 55 6.563 -1.913 -6.323 414 H GLY 56 H GLY 56 5.548 -4.160 -7.774 415 1HA GLY 56 2HA GLY 56 3.098 -2.878 -8.088 416 2HA GLY 56 3HA GLY 56 3.090 -4.327 -9.127 417 H THR 57 H THR 57 1.388 -4.773 -7.569 418 HA THR 57 HA THR 57 1.288 -5.232 -4.939 419 HB THR 57 HB THR 57 -0.574 -5.471 -6.281 420 HG1 THR 57 1HG THR 57 -0.203 -8.044 -5.196 421 1HG2 THR 57 1HG2 THR 57 0.203 -6.364 -8.358 422 2HG2 THR 57 2HG2 THR 57 0.699 -7.897 -7.606 423 3HG2 THR 57 3HG2 THR 57 -1.019 -7.460 -7.712 424 H ALA 58 H ALA 58 2.961 -7.433 -7.216 425 HA ALA 58 HA ALA 58 3.679 -9.535 -5.546 426 1HB ALA 58 1HB ALA 58 5.698 -9.721 -6.975 427 2HB ALA 58 2HB ALA 58 4.231 -9.446 -7.935 428 3HB ALA 58 3HB ALA 58 5.372 -8.112 -7.649 429 H ALA 59 H ALA 59 5.344 -6.327 -5.764 430 HA ALA 59 HA ALA 59 7.453 -7.224 -3.883 431 1HB ALA 59 1HB ALA 59 8.040 -5.722 -5.780 432 2HB ALA 59 2HB ALA 59 6.900 -4.502 -5.161 433 3HB ALA 59 3HB ALA 59 8.332 -4.951 -4.209 434 H ILE 60 H ILE 60 4.498 -5.435 -4.125 435 HA ILE 60 HA ILE 60 4.791 -3.935 -1.737 436 HB ILE 60 HB ILE 60 2.912 -4.237 -3.983 437 1HG1 ILE 60 2HG1 ILE 60 3.382 -1.782 -2.398 438 2HG1 ILE 60 3HG1 ILE 60 4.748 -2.449 -3.307 439 1HG2 ILE 60 1HG2 ILE 60 1.791 -3.401 -1.302 440 2HG2 ILE 60 2HG2 ILE 60 1.079 -2.948 -2.862 441 3HG2 ILE 60 3HG2 ILE 60 1.187 -4.648 -2.402 442 1HD1 ILE 60 1HD1 ILE 60 3.585 -0.755 -4.623 443 2HD1 ILE 60 2HD1 ILE 60 3.493 -2.347 -5.397 444 3HD1 ILE 60 3HD1 ILE 60 2.081 -1.700 -4.524 445 H GLN 61 H GLN 61 2.784 -6.892 -2.368 446 HA GLN 61 HA GLN 61 1.772 -7.098 0.301 447 1HB GLN 61 2HB GLN 61 2.362 -9.064 -1.898 448 2HB GLN 61 3HB GLN 61 2.211 -9.650 -0.233 449 1HG GLN 61 2HG GLN 61 0.119 -9.990 -0.974 450 2HG GLN 61 3HG GLN 61 -0.041 -8.468 -0.104 451 1HE2 GLN 61 1HE2 GLN 61 0.524 -6.488 -1.789 452 2HE2 GLN 61 2HE2 GLN 61 -0.331 -6.663 -3.329 453 H GLU 62 H GLU 62 4.736 -8.428 -1.177 454 HA GLU 62 HA GLU 62 5.873 -9.641 0.985 455 1HB GLU 62 2HB GLU 62 6.647 -8.805 -1.663 456 2HB GLU 62 3HB GLU 62 7.882 -8.129 -0.622 457 1HG GLU 62 2HG GLU 62 8.457 -10.325 -1.537 458 2HG GLU 62 3HG GLU 62 8.370 -10.396 0.240 459 H LYS 63 H LYS 63 6.437 -6.168 0.123 460 HA LYS 63 HA LYS 63 7.839 -5.767 2.589 461 1HB LYS 63 2HB LYS 63 7.426 -4.264 0.239 462 2HB LYS 63 3HB LYS 63 6.539 -3.362 1.466 463 1HG LYS 63 2HG LYS 63 8.790 -2.545 1.340 464 2HG LYS 63 3HG LYS 63 8.585 -3.342 2.902 465 1HD LYS 63 2HD LYS 63 9.880 -5.239 2.246 466 2HD LYS 63 3HD LYS 63 9.711 -4.883 0.517 467 1HE LYS 63 2HE LYS 63 11.332 -3.205 0.554 468 2HE LYS 63 3HE LYS 63 11.045 -2.843 2.261 469 1HZ LYS 63 1HZ LYS 63 13.165 -3.927 1.835 470 2HZ LYS 63 2HZ LYS 63 12.223 -4.813 2.847 471 3HZ LYS 63 3HZ LYS 63 12.399 -5.268 1.271 472 H ILE 64 H ILE 64 4.406 -5.411 1.730 473 HA ILE 64 HA ILE 64 3.593 -3.906 3.924 474 HB ILE 64 HB ILE 64 2.181 -5.899 2.128 475 1HG1 ILE 64 2HG1 ILE 64 3.035 -3.479 1.510 476 2HG1 ILE 64 3HG1 ILE 64 1.434 -4.043 0.995 477 1HG2 ILE 64 1HG2 ILE 64 0.866 -6.169 4.023 478 2HG2 ILE 64 2HG2 ILE 64 1.100 -4.486 4.574 479 3HG2 ILE 64 3HG2 ILE 64 0.099 -4.827 3.164 480 1HD1 ILE 64 1HD1 ILE 64 1.762 -1.680 2.120 481 2HD1 ILE 64 2HD1 ILE 64 0.344 -2.681 2.483 482 3HD1 ILE 64 3HD1 ILE 64 1.732 -2.593 3.616 483 H GLU 65 H GLU 65 3.869 -7.495 3.536 484 HA GLU 65 HA GLU 65 3.068 -8.324 6.115 485 1HB GLU 65 2HB GLU 65 5.000 -9.263 4.014 486 2HB GLU 65 3HB GLU 65 5.032 -10.059 5.594 487 1HG GLU 65 2HG GLU 65 2.408 -9.665 4.113 488 2HG GLU 65 3HG GLU 65 3.479 -11.008 3.721 489 H LYS 66 H LYS 66 6.176 -6.885 5.072 490 HA LYS 66 HA LYS 66 7.420 -7.331 7.646 491 1HB LYS 66 2HB LYS 66 8.454 -7.201 5.270 492 2HB LYS 66 3HB LYS 66 8.423 -5.456 5.522 493 1HG LYS 66 2HG LYS 66 10.206 -5.528 6.934 494 2HG LYS 66 3HG LYS 66 9.564 -6.857 7.881 495 1HD LYS 66 2HD LYS 66 10.868 -7.200 5.153 496 2HD LYS 66 3HD LYS 66 11.770 -7.321 6.662 497 1HE LYS 66 2HE LYS 66 9.276 -9.014 6.479 498 2HE LYS 66 3HE LYS 66 10.573 -9.449 5.366 499 1HZ LYS 66 1HZ LYS 66 10.705 -10.625 7.439 500 2HZ LYS 66 2HZ LYS 66 12.044 -9.704 7.214 501 3HZ LYS 66 3HZ LYS 66 10.884 -9.228 8.286 502 H LEU 67 H LEU 67 5.737 -4.606 6.015 503 HA LEU 67 HA LEU 67 6.225 -2.637 8.004 504 1HB LEU 67 2HB LEU 67 3.954 -3.205 6.060 505 2HB LEU 67 3HB LEU 67 3.725 -2.030 7.301 506 HG LEU 67 HG LEU 67 4.361 -1.060 5.230 507 1HD1 LEU 67 1HD1 LEU 67 6.656 -0.652 7.176 508 2HD1 LEU 67 2HD1 LEU 67 5.909 0.544 6.104 509 3HD1 LEU 67 3HD1 LEU 67 5.003 -0.067 7.492 510 1HD2 LEU 67 1HD2 LEU 67 7.012 -2.504 5.399 511 2HD2 LEU 67 2HD2 LEU 67 5.744 -2.620 4.146 512 3HD2 LEU 67 3HD2 LEU 67 6.659 -1.129 4.337 513 H GLY 68 H GLY 68 4.407 -5.635 8.111 514 1HA GLY 68 2HA GLY 68 4.136 -6.731 10.162 515 2HA GLY 68 3HA GLY 68 4.002 -5.193 11.023 516 H TYR 69 H TYR 69 2.300 -5.939 7.942 517 HA TYR 69 HA TYR 69 -0.250 -6.401 9.377 518 1HB TYR 69 2HB TYR 69 0.053 -4.205 7.295 519 2HB TYR 69 3HB TYR 69 -1.392 -4.617 8.207 520 HD1 TYR 69 HD1 TYR 69 2.025 -3.179 8.443 521 HD2 TYR 69 HD2 TYR 69 -1.844 -3.479 10.288 522 HE1 TYR 69 HE1 TYR 69 2.600 -1.296 9.923 523 HE2 TYR 69 HE2 TYR 69 -1.322 -1.532 11.703 524 HH TYR 69 HH TYR 69 0.296 0.046 12.304 525 H HIS 70 H HIS 70 -1.907 -7.167 7.718 526 HA HIS 70 HA HIS 70 -0.597 -8.089 5.230 527 1HB HIS 70 2HB HIS 70 -2.211 -9.967 5.239 528 2HB HIS 70 3HB HIS 70 -0.792 -10.023 6.289 529 HD1 HIS 70 1HD HIS 70 -1.673 -11.738 8.016 530 HD2 HIS 70 2HD HIS 70 -4.261 -8.574 7.184 531 HE1 HIS 70 1HE HIS 70 -3.607 -11.928 9.682 532 H VAL 71 H VAL 71 -1.484 -7.617 3.506 533 HA VAL 71 HA VAL 71 -3.968 -5.994 3.421 534 HB VAL 71 HB VAL 71 -1.859 -5.010 2.546 535 1HG1 VAL 71 1HG1 VAL 71 -2.192 -6.966 0.238 536 2HG1 VAL 71 2HG1 VAL 71 -0.995 -5.666 0.369 537 3HG1 VAL 71 3HG1 VAL 71 -0.908 -7.050 1.475 538 1HG2 VAL 71 1HG2 VAL 71 -3.995 -4.117 1.880 539 2HG2 VAL 71 2HG2 VAL 71 -2.792 -3.991 0.603 540 3HG2 VAL 71 3HG2 VAL 71 -4.061 -5.241 0.507 541 H VAL 72 H VAL 72 -5.582 -6.422 1.762 542 HA VAL 72 HA VAL 72 -5.522 -9.257 0.765 543 HB VAL 72 HB VAL 72 -7.994 -9.134 0.842 544 1HG1 VAL 72 1HG1 VAL 72 -6.623 -8.862 3.543 545 2HG1 VAL 72 2HG1 VAL 72 -8.210 -9.602 3.233 546 3HG1 VAL 72 3HG1 VAL 72 -6.739 -10.350 2.570 547 1HG2 VAL 72 1HG2 VAL 72 -9.174 -7.548 2.188 548 2HG2 VAL 72 2HG2 VAL 72 -7.675 -6.789 2.741 549 3HG2 VAL 72 3HG2 VAL 72 -8.183 -6.629 1.040 550 H ILE 73 H ILE 73 -6.459 -9.579 -1.294 551 HA ILE 73 HA ILE 73 -6.696 -7.133 -3.010 552 HB ILE 73 HB ILE 73 -5.855 -9.985 -3.692 553 1HG1 ILE 73 2HG1 ILE 73 -4.074 -8.601 -2.596 554 2HG1 ILE 73 3HG1 ILE 73 -3.693 -9.132 -4.229 555 1HG2 ILE 73 1HG2 ILE 73 -7.155 -9.153 -5.554 556 2HG2 ILE 73 2HG2 ILE 73 -6.335 -7.586 -5.505 557 3HG2 ILE 73 3HG2 ILE 73 -5.449 -9.047 -5.995 558 1HD1 ILE 73 1HD1 ILE 73 -4.129 -6.920 -5.144 559 2HD1 ILE 73 2HD1 ILE 73 -4.752 -6.341 -3.590 560 3HD1 ILE 73 3HD1 ILE 73 -3.040 -6.773 -3.762 561 H GLU 74 H GLU 74 -8.757 -6.729 -2.596 562 HA GLU 74 HA GLU 74 -10.706 -8.467 -3.924 563 1HB GLU 74 2HB GLU 74 -10.828 -7.516 -1.052 564 2HB GLU 74 3HB GLU 74 -12.301 -7.338 -2.007 565 1HG GLU 74 2HG GLU 74 -10.865 -10.005 -1.935 566 2HG GLU 74 3HG GLU 74 -11.980 -9.511 -0.649 567 H GLY 75 H GLY 75 -11.956 -7.192 -5.233 568 1HA GLY 75 2HA GLY 75 -12.893 -5.286 -6.146 569 2HA GLY 75 3HA GLY 75 -12.203 -4.311 -4.844 570 H ARG 76 H ARG 76 -10.724 -6.402 -7.344 571 HA ARG 76 HA ARG 76 -9.644 -5.961 -9.264 572 1HB ARG 76 2HB ARG 76 -10.934 -3.695 -9.267 573 2HB ARG 76 3HB ARG 76 -9.397 -2.992 -8.725 574 1HG ARG 76 2HG ARG 76 -8.279 -3.849 -10.748 575 2HG ARG 76 3HG ARG 76 -9.763 -4.704 -11.220 576 1HD ARG 76 2HD ARG 76 -10.944 -2.481 -11.258 577 2HD ARG 76 3HD ARG 76 -9.360 -1.693 -11.033 578 HE ARG 76 HE ARG 76 -8.974 -3.395 -13.168 579 1HH1 ARG 76 2HH2 ARG 76 -11.150 -0.715 -12.502 580 2HH1 ARG 76 1HH2 ARG 76 -11.579 -0.406 -14.156 581 1HH2 ARG 76 2HH1 ARG 76 -9.518 -3.050 -15.396 582 2HH2 ARG 76 1HH1 ARG 76 -10.585 -1.761 -15.853 Start of MODEL 5 1 1H MET 1 H1 MET 1 3.577 0.529 -26.963 2 2H MET 1 H2 MET 1 3.557 -1.119 -27.045 3 3H MET 1 H3 MET 1 3.622 -0.355 -25.582 4 HA MET 1 HA MET 1 5.789 -1.217 -26.148 5 1HB MET 1 2HB MET 1 5.269 0.435 -28.646 6 2HB MET 1 3HB MET 1 6.914 0.101 -28.099 7 1HG MET 1 2HG MET 1 6.602 -2.271 -28.225 8 2HG MET 1 3HG MET 1 4.924 -2.083 -28.769 9 1HE MET 1 1HE MET 1 7.621 -3.612 -30.144 10 2HE MET 1 2HE MET 1 5.938 -3.857 -30.681 11 3HE MET 1 3HE MET 1 7.188 -3.359 -31.848 12 H LEU 2 H LEU 2 5.320 0.053 -24.020 13 HA LEU 2 HA LEU 2 7.185 2.069 -23.604 14 1HB LEU 2 2HB LEU 2 4.485 2.980 -24.515 15 2HB LEU 2 3HB LEU 2 4.911 3.621 -22.947 16 HG LEU 2 HG LEU 2 7.149 3.848 -24.885 17 1HD1 LEU 2 1HD1 LEU 2 5.283 4.151 -26.473 18 2HD1 LEU 2 2HD1 LEU 2 4.602 5.416 -25.429 19 3HD1 LEU 2 3HD1 LEU 2 6.187 5.646 -26.201 20 1HD2 LEU 2 1HD2 LEU 2 7.056 4.944 -22.643 21 2HD2 LEU 2 2HD2 LEU 2 7.236 6.109 -23.968 22 3HD2 LEU 2 3HD2 LEU 2 5.657 5.894 -23.189 23 H SER 3 H SER 3 6.712 2.954 -21.296 24 HA SER 3 HA SER 3 5.478 0.803 -19.635 25 1HB SER 3 2HB SER 3 7.406 3.010 -18.803 26 2HB SER 3 3HB SER 3 6.834 1.652 -17.817 27 HG SER 3 HG SER 3 8.878 1.187 -18.697 28 H GLU 4 H GLU 4 3.934 1.500 -18.037 29 HA GLU 4 HA GLU 4 3.127 4.282 -17.908 30 1HB GLU 4 2HB GLU 4 0.798 3.799 -18.636 31 2HB GLU 4 3HB GLU 4 1.984 3.597 -19.926 32 1HG GLU 4 2HG GLU 4 1.926 1.034 -19.236 33 2HG GLU 4 3HG GLU 4 0.396 1.480 -18.475 34 H GLN 5 H GLN 5 2.057 4.655 -15.992 35 HA GLN 5 HA GLN 5 2.401 2.468 -14.018 36 1HB GLN 5 2HB GLN 5 2.699 4.165 -12.426 37 2HB GLN 5 3HB GLN 5 3.762 4.499 -13.787 38 1HG GLN 5 2HG GLN 5 2.184 6.255 -14.610 39 2HG GLN 5 3HG GLN 5 1.110 5.933 -13.236 40 1HE2 GLN 5 1HE2 GLN 5 2.708 5.639 -11.109 41 2HE2 GLN 5 2HE2 GLN 5 3.745 6.984 -10.818 42 H LYS 6 H LYS 6 0.879 2.499 -12.068 43 HA LYS 6 HA LYS 6 -1.782 3.524 -12.721 44 1HB LYS 6 2HB LYS 6 -1.024 0.724 -13.143 45 2HB LYS 6 3HB LYS 6 -2.363 0.853 -12.013 46 1HG LYS 6 2HG LYS 6 -2.361 2.327 -14.660 47 2HG LYS 6 3HG LYS 6 -2.878 0.661 -14.512 48 1HD LYS 6 2HD LYS 6 -4.890 1.205 -13.655 49 2HD LYS 6 3HD LYS 6 -4.187 2.272 -12.453 50 1HE LYS 6 2HE LYS 6 -3.988 4.083 -14.221 51 2HE LYS 6 3HE LYS 6 -4.791 2.990 -15.359 52 1HZ LYS 6 1HZ LYS 6 -6.727 3.040 -13.851 53 2HZ LYS 6 2HZ LYS 6 -6.021 4.176 -12.912 54 3HZ LYS 6 3HZ LYS 6 -6.349 4.520 -14.438 55 H GLU 7 H GLU 7 -3.178 3.511 -11.240 56 HA GLU 7 HA GLU 7 -2.536 3.711 -8.390 57 1HB GLU 7 2HB GLU 7 -5.090 4.448 -8.564 58 2HB GLU 7 3HB GLU 7 -3.829 5.565 -9.095 59 1HG GLU 7 2HG GLU 7 -4.206 5.137 -11.407 60 2HG GLU 7 3HG GLU 7 -5.176 3.670 -11.028 61 H ILE 8 H ILE 8 -2.544 1.682 -7.407 62 HA ILE 8 HA ILE 8 -4.844 -0.121 -8.021 63 HB ILE 8 HB ILE 8 -2.342 -0.886 -7.689 64 1HG1 ILE 8 2HG1 ILE 8 -3.620 -2.922 -6.242 65 2HG1 ILE 8 3HG1 ILE 8 -4.933 -2.181 -7.160 66 1HG2 ILE 8 1HG2 ILE 8 -2.066 0.185 -5.503 67 2HG2 ILE 8 2HG2 ILE 8 -3.270 -0.918 -4.795 68 3HG2 ILE 8 3HG2 ILE 8 -1.758 -1.560 -5.451 69 1HD1 ILE 8 1HD1 ILE 8 -3.503 -2.351 -9.229 70 2HD1 ILE 8 2HD1 ILE 8 -2.273 -3.192 -8.259 71 3HD1 ILE 8 3HD1 ILE 8 -3.869 -3.935 -8.498 72 H ALA 9 H ALA 9 -6.330 -0.555 -6.308 73 HA ALA 9 HA ALA 9 -6.140 1.026 -3.829 74 1HB ALA 9 1HB ALA 9 -7.587 2.371 -5.307 75 2HB ALA 9 2HB ALA 9 -8.612 0.947 -5.602 76 3HB ALA 9 3HB ALA 9 -8.510 1.651 -3.973 77 H MET 10 H MET 10 -6.501 -0.314 -2.100 78 HA MET 10 HA MET 10 -8.060 -2.782 -2.420 79 1HB MET 10 2HB MET 10 -6.121 -4.259 -2.022 80 2HB MET 10 3HB MET 10 -5.919 -3.336 -3.510 81 1HG MET 10 2HG MET 10 -4.603 -1.623 -2.031 82 2HG MET 10 3HG MET 10 -4.592 -2.942 -0.850 83 1HE MET 10 1HE MET 10 -2.190 -1.173 -2.368 84 2HE MET 10 2HE MET 10 -1.902 -2.243 -0.985 85 3HE MET 10 3HE MET 10 -0.953 -2.441 -2.476 86 H GLN 11 H GLN 11 -7.716 -4.127 -0.214 87 HA GLN 11 HA GLN 11 -8.152 -2.045 1.862 88 1HB GLN 11 2HB GLN 11 -9.204 -4.697 2.528 89 2HB GLN 11 3HB GLN 11 -9.800 -3.095 2.820 90 1HG GLN 11 2HG GLN 11 -11.423 -4.013 1.482 91 2HG GLN 11 3HG GLN 11 -10.510 -3.042 0.327 92 1HE2 GLN 11 1HE2 GLN 11 -9.263 -4.210 -1.275 93 2HE2 GLN 11 2HE2 GLN 11 -9.384 -5.925 -1.513 94 H VAL 12 H VAL 12 -7.428 -2.551 4.007 95 HA VAL 12 HA VAL 12 -5.175 -4.488 4.084 96 HB VAL 12 HB VAL 12 -4.886 -2.107 5.837 97 1HG1 VAL 12 1HG1 VAL 12 -2.539 -2.356 5.204 98 2HG1 VAL 12 2HG1 VAL 12 -3.191 -3.924 5.710 99 3HG1 VAL 12 3HG1 VAL 12 -2.971 -3.557 3.978 100 1HG2 VAL 12 1HG2 VAL 12 -3.815 -0.755 4.050 101 2HG2 VAL 12 2HG2 VAL 12 -4.425 -1.921 2.839 102 3HG2 VAL 12 3HG2 VAL 12 -5.552 -0.908 3.790 103 H SER 13 H SER 13 -4.705 -5.276 6.265 104 HA SER 13 HA SER 13 -7.038 -5.037 8.098 105 1HB SER 13 2HB SER 13 -6.606 -7.240 6.534 106 2HB SER 13 3HB SER 13 -5.571 -7.637 7.855 107 HG SER 13 HG SER 13 -7.731 -8.341 8.219 108 H GLY 14 H GLY 14 -6.451 -4.726 10.204 109 1HA GLY 14 2HA GLY 14 -4.946 -4.965 12.045 110 2HA GLY 14 3HA GLY 14 -3.558 -4.839 10.975 111 H MET 15 H MET 15 -5.418 -2.434 9.704 112 HA MET 15 HA MET 15 -4.002 -0.330 10.938 113 1HB MET 15 2HB MET 15 -5.651 1.141 9.852 114 2HB MET 15 3HB MET 15 -4.962 -0.059 8.742 115 1HG MET 15 2HG MET 15 -7.506 -0.852 10.081 116 2HG MET 15 3HG MET 15 -7.647 0.510 8.988 117 1HE MET 15 1HE MET 15 -6.995 -1.010 5.559 118 2HE MET 15 2HE MET 15 -7.640 0.352 6.471 119 3HE MET 15 3HE MET 15 -5.896 -0.004 6.541 120 H THR 16 H THR 16 -4.688 1.333 12.375 121 HA THR 16 HA THR 16 -7.160 0.911 13.972 122 HB THR 16 HB THR 16 -5.654 1.515 16.008 123 HG1 THR 16 1HG THR 16 -3.695 0.265 14.398 124 1HG2 THR 16 1HG2 THR 16 -5.302 -1.239 14.740 125 2HG2 THR 16 2HG2 THR 16 -5.132 -0.814 16.453 126 3HG2 THR 16 3HG2 THR 16 -6.719 -0.713 15.668 127 H CYS 17 H CYS 17 -6.564 2.676 11.796 128 HA CYS 17 HA CYS 17 -6.570 4.818 11.178 129 1HB CYS 17 2HB CYS 17 -8.801 4.496 12.386 130 2HB CYS 17 3HB CYS 17 -8.120 5.504 13.682 131 HG CYS 17 HG CYS 17 -9.676 6.909 12.075 132 H ALA 18 H ALA 18 -6.587 7.194 13.230 133 HA ALA 18 HA ALA 18 -4.923 8.700 13.651 134 1HB ALA 18 1HB ALA 18 -4.279 6.406 15.534 135 2HB ALA 18 2HB ALA 18 -3.850 8.115 15.780 136 3HB ALA 18 3HB ALA 18 -5.554 7.627 15.751 137 H ALA 19 H ALA 19 -4.052 7.784 11.335 138 HA ALA 19 HA ALA 19 -2.262 7.756 9.976 139 1HB ALA 19 1HB ALA 19 -0.217 8.822 10.661 140 2HB ALA 19 2HB ALA 19 -1.573 9.681 11.411 141 3HB ALA 19 3HB ALA 19 -0.577 8.569 12.373 142 H CYS 20 H CYS 20 -2.823 5.290 11.833 143 HA CYS 20 HA CYS 20 -0.263 3.937 12.022 144 1HB CYS 20 2HB CYS 20 -3.127 2.943 12.303 145 2HB CYS 20 3HB CYS 20 -1.704 1.901 12.450 146 HG CYS 20 HG CYS 20 -2.691 2.605 14.821 147 H ALA 21 H ALA 21 -3.159 3.307 9.969 148 HA ALA 21 HA ALA 21 -2.015 1.511 8.205 149 1HB ALA 21 1HB ALA 21 -4.409 2.150 8.271 150 2HB ALA 21 2HB ALA 21 -3.995 3.679 7.475 151 3HB ALA 21 3HB ALA 21 -3.747 2.138 6.624 152 H ALA 22 H ALA 22 -1.981 5.020 8.093 153 HA ALA 22 HA ALA 22 -0.791 5.548 5.632 154 1HB ALA 22 1HB ALA 22 -1.723 7.257 7.142 155 2HB ALA 22 2HB ALA 22 -0.428 6.968 8.310 156 3HB ALA 22 3HB ALA 22 -0.043 7.663 6.717 157 H ARG 23 H ARG 23 0.839 4.585 8.715 158 HA ARG 23 HA ARG 23 3.529 4.929 7.754 159 1HB ARG 23 2HB ARG 23 2.314 3.160 9.905 160 2HB ARG 23 3HB ARG 23 4.019 3.141 9.523 161 1HG ARG 23 2HG ARG 23 2.782 5.849 9.993 162 2HG ARG 23 3HG ARG 23 2.937 4.794 11.396 163 1HD ARG 23 2HD ARG 23 5.229 5.419 9.494 164 2HD ARG 23 3HD ARG 23 4.928 6.294 11.014 165 HE ARG 23 HE ARG 23 4.942 3.672 11.807 166 1HH1 ARG 23 2HH2 ARG 23 7.273 5.700 10.120 167 2HH1 ARG 23 1HH2 ARG 23 8.677 4.842 10.679 168 1HH2 ARG 23 2HH1 ARG 23 6.773 2.516 12.593 169 2HH2 ARG 23 1HH1 ARG 23 8.375 2.987 12.139 170 H ILE 24 H ILE 24 1.166 2.293 7.469 171 HA ILE 24 HA ILE 24 2.945 0.240 6.612 172 HB ILE 24 HB ILE 24 0.066 0.598 5.658 173 1HG1 ILE 24 2HG1 ILE 24 0.937 -0.791 8.201 174 2HG1 ILE 24 3HG1 ILE 24 0.118 0.758 8.166 175 1HG2 ILE 24 1HG2 ILE 24 1.703 -1.920 6.155 176 2HG2 ILE 24 2HG2 ILE 24 0.119 -1.795 5.356 177 3HG2 ILE 24 3HG2 ILE 24 1.544 -1.114 4.586 178 1HD1 ILE 24 1HD1 ILE 24 -1.767 -0.333 6.835 179 2HD1 ILE 24 2HD1 ILE 24 -1.041 -1.894 7.247 180 3HD1 ILE 24 3HD1 ILE 24 -1.612 -0.819 8.530 181 H GLU 25 H GLU 25 0.785 2.427 4.767 182 HA GLU 25 HA GLU 25 1.840 1.531 2.316 183 1HB GLU 25 2HB GLU 25 -0.405 2.924 3.015 184 2HB GLU 25 3HB GLU 25 0.565 4.244 2.376 185 1HG GLU 25 2HG GLU 25 -0.617 3.400 0.471 186 2HG GLU 25 3HG GLU 25 1.009 2.748 0.304 187 H LYS 26 H LYS 26 2.640 4.383 4.362 188 HA LYS 26 HA LYS 26 4.394 5.690 2.586 189 1HB LYS 26 2HB LYS 26 4.192 5.429 5.591 190 2HB LYS 26 3HB LYS 26 5.513 6.309 4.868 191 1HG LYS 26 2HG LYS 26 2.614 6.947 4.162 192 2HG LYS 26 3HG LYS 26 3.443 7.653 5.555 193 1HD LYS 26 2HD LYS 26 5.271 8.459 4.001 194 2HD LYS 26 3HD LYS 26 4.288 7.913 2.628 195 1HE LYS 26 2HE LYS 26 2.432 9.431 3.387 196 2HE LYS 26 3HE LYS 26 3.412 9.924 4.779 197 1HZ LYS 26 1HZ LYS 26 3.543 11.546 3.091 198 2HZ LYS 26 2HZ LYS 26 5.020 10.843 3.232 199 3HZ LYS 26 3HZ LYS 26 4.034 10.463 1.963 200 H GLY 27 H GLY 27 4.872 2.838 4.682 201 1HA GLY 27 2HA GLY 27 7.609 2.316 4.211 202 2HA GLY 27 3HA GLY 27 6.332 1.102 4.390 203 H LEU 28 H LEU 28 4.709 1.591 2.140 204 HA LEU 28 HA LEU 28 6.342 0.405 0.055 205 1HB LEU 28 2HB LEU 28 3.533 1.489 -0.147 206 2HB LEU 28 3HB LEU 28 4.350 0.454 -1.315 207 HG LEU 28 HG LEU 28 3.789 -0.402 1.542 208 1HD1 LEU 28 1HD1 LEU 28 2.184 -0.586 -1.028 209 2HD1 LEU 28 2HD1 LEU 28 1.979 -1.744 0.286 210 3HD1 LEU 28 3HD1 LEU 28 1.700 -0.030 0.576 211 1HD2 LEU 28 1HD2 LEU 28 4.018 -2.498 -0.461 212 2HD2 LEU 28 2HD2 LEU 28 5.535 -1.620 -0.296 213 3HD2 LEU 28 3HD2 LEU 28 4.760 -2.361 1.119 214 H LYS 29 H LYS 29 5.205 3.723 0.744 215 HA LYS 29 HA LYS 29 6.027 4.785 -1.765 216 1HB LYS 29 2HB LYS 29 4.653 6.143 -0.516 217 2HB LYS 29 3HB LYS 29 5.716 6.175 0.884 218 1HG LYS 29 2HG LYS 29 7.402 7.457 -0.264 219 2HG LYS 29 3HG LYS 29 6.604 7.238 -1.823 220 1HD LYS 29 2HD LYS 29 5.556 8.889 0.507 221 2HD LYS 29 3HD LYS 29 6.360 9.488 -0.956 222 1HE LYS 29 2HE LYS 29 4.346 7.921 -2.025 223 2HE LYS 29 3HE LYS 29 3.547 8.538 -0.584 224 1HZ LYS 29 1HZ LYS 29 4.631 10.058 -2.865 225 2HZ LYS 29 2HZ LYS 29 3.109 10.040 -2.273 226 3HZ LYS 29 3HZ LYS 29 4.262 10.815 -1.433 227 H ARG 30 H ARG 30 8.011 3.512 0.819 228 HA ARG 30 HA ARG 30 10.454 4.766 -0.202 229 1HB ARG 30 2HB ARG 30 9.796 2.889 1.958 230 2HB ARG 30 3HB ARG 30 11.173 2.344 1.028 231 1HG ARG 30 2HG ARG 30 12.050 3.630 2.742 232 2HG ARG 30 3HG ARG 30 12.177 4.671 1.330 233 1HD ARG 30 2HD ARG 30 10.275 5.991 1.993 234 2HD ARG 30 3HD ARG 30 9.769 4.850 3.225 235 HE ARG 30 HE ARG 30 11.731 6.959 3.465 236 1HH1 ARG 30 2HH2 ARG 30 10.948 3.741 4.632 237 2HH1 ARG 30 1HH2 ARG 30 11.828 3.862 6.126 238 1HH2 ARG 30 2HH1 ARG 30 12.931 7.189 5.446 239 2HH2 ARG 30 1HH1 ARG 30 12.983 5.892 6.592 240 H MET 31 H MET 31 8.480 2.067 -1.374 241 HA MET 31 HA MET 31 10.717 0.562 -2.270 242 1HB MET 31 2HB MET 31 7.749 0.354 -2.858 243 2HB MET 31 3HB MET 31 8.927 -0.772 -3.523 244 1HG MET 31 2HG MET 31 8.677 -0.198 -0.546 245 2HG MET 31 3HG MET 31 7.844 -1.525 -1.351 246 1HE MET 31 1HE MET 31 9.798 -2.887 -3.302 247 2HE MET 31 2HE MET 31 10.633 -4.024 -2.226 248 3HE MET 31 3HE MET 31 8.886 -3.748 -2.034 249 HA PRO 32 HA PRO 32 11.833 2.768 -5.893 250 1HB PRO 32 2HB PRO 32 13.188 0.845 -7.324 251 2HB PRO 32 3HB PRO 32 13.808 1.544 -5.802 252 1HG PRO 32 2HG PRO 32 12.258 -1.044 -6.139 253 2HG PRO 32 3HG PRO 32 13.806 -0.808 -5.282 254 1HD PRO 32 2HD PRO 32 11.479 -0.819 -3.935 255 2HD PRO 32 3HD PRO 32 12.728 0.394 -3.517 256 H GLY 33 H GLY 33 9.807 3.268 -6.979 257 1HA GLY 33 2HA GLY 33 9.186 2.714 -9.467 258 2HA GLY 33 3HA GLY 33 8.646 1.204 -8.780 259 H VAL 34 H VAL 34 8.046 2.891 -6.163 260 HA VAL 34 HA VAL 34 5.308 3.515 -6.796 261 HB VAL 34 HB VAL 34 6.259 2.638 -4.635 262 1HG1 VAL 34 1HG1 VAL 34 8.138 4.549 -4.752 263 2HG1 VAL 34 2HG1 VAL 34 6.931 5.486 -3.875 264 3HG1 VAL 34 3HG1 VAL 34 7.529 3.930 -3.232 265 1HG2 VAL 34 1HG2 VAL 34 4.607 5.173 -4.285 266 2HG2 VAL 34 2HG2 VAL 34 3.964 3.626 -4.868 267 3HG2 VAL 34 3HG2 VAL 34 4.651 3.735 -3.246 268 H THR 35 H THR 35 4.298 5.559 -6.746 269 HA THR 35 HA THR 35 6.079 7.950 -6.928 270 HB THR 35 HB THR 35 3.490 8.350 -8.206 271 HG1 THR 35 1HG THR 35 5.121 6.199 -9.079 272 1HG2 THR 35 1HG2 THR 35 6.331 8.271 -9.351 273 2HG2 THR 35 2HG2 THR 35 4.894 8.994 -10.109 274 3HG2 THR 35 3HG2 THR 35 5.557 9.700 -8.624 275 H ASP 36 H ASP 36 2.731 6.830 -6.013 276 HA ASP 36 HA ASP 36 3.063 8.462 -3.641 277 1HB ASP 36 2HB ASP 36 2.082 10.125 -5.139 278 2HB ASP 36 3HB ASP 36 0.734 9.029 -5.471 279 H ALA 37 H ALA 37 1.520 8.190 -1.977 280 HA ALA 37 HA ALA 37 0.018 5.628 -1.999 281 1HB ALA 37 1HB ALA 37 0.863 5.218 0.301 282 2HB ALA 37 2HB ALA 37 2.155 5.105 -0.912 283 3HB ALA 37 3HB ALA 37 2.013 6.548 0.120 284 H ASN 38 H ASN 38 -2.041 6.065 -1.289 285 HA ASN 38 HA ASN 38 -2.595 8.555 0.232 286 1HB ASN 38 2HB ASN 38 -2.937 8.209 -2.592 287 2HB ASN 38 3HB ASN 38 -4.545 8.082 -1.886 288 1HD2 ASN 38 1HD2 ASN 38 -1.883 10.281 -2.657 289 2HD2 ASN 38 2HD2 ASN 38 -2.706 11.700 -2.040 290 H VAL 39 H VAL 39 -3.556 7.819 2.029 291 HA VAL 39 HA VAL 39 -4.912 5.239 2.067 292 HB VAL 39 HB VAL 39 -3.209 5.978 3.713 293 1HG1 VAL 39 1HG1 VAL 39 -3.955 8.338 4.020 294 2HG1 VAL 39 2HG1 VAL 39 -5.415 7.753 4.844 295 3HG1 VAL 39 3HG1 VAL 39 -3.815 7.452 5.544 296 1HG2 VAL 39 1HG2 VAL 39 -4.398 5.064 5.674 297 2HG2 VAL 39 2HG2 VAL 39 -5.926 5.169 4.777 298 3HG2 VAL 39 3HG2 VAL 39 -4.637 4.097 4.208 299 H ASN 40 H ASN 40 -7.036 4.748 2.640 300 HA ASN 40 HA ASN 40 -8.945 6.957 2.913 301 1HB ASN 40 2HB ASN 40 -8.839 6.129 0.500 302 2HB ASN 40 3HB ASN 40 -9.420 4.568 1.073 303 1HD2 ASN 40 1HD2 ASN 40 -11.383 4.941 -0.277 304 2HD2 ASN 40 2HD2 ASN 40 -12.658 5.925 0.413 305 H LEU 41 H LEU 41 -8.463 6.106 5.171 306 HA LEU 41 HA LEU 41 -9.557 3.543 5.904 307 1HB LEU 41 2HB LEU 41 -9.034 5.978 7.647 308 2HB LEU 41 3HB LEU 41 -9.396 4.339 8.197 309 HG LEU 41 HG LEU 41 -6.944 5.310 6.696 310 1HD1 LEU 41 1HD1 LEU 41 -7.291 3.835 9.326 311 2HD1 LEU 41 2HD1 LEU 41 -5.762 4.461 8.682 312 3HD1 LEU 41 3HD1 LEU 41 -7.039 5.601 9.144 313 1HD2 LEU 41 1HD2 LEU 41 -7.797 2.447 7.317 314 2HD2 LEU 41 2HD2 LEU 41 -7.424 3.103 5.698 315 3HD2 LEU 41 3HD2 LEU 41 -6.144 2.896 6.881 316 H ALA 42 H ALA 42 -11.133 6.409 5.055 317 HA ALA 42 HA ALA 42 -13.619 6.087 6.467 318 1HB ALA 42 1HB ALA 42 -13.144 7.086 3.629 319 2HB ALA 42 2HB ALA 42 -14.570 7.382 4.633 320 3HB ALA 42 3HB ALA 42 -13.009 8.099 5.087 321 H THR 43 H THR 43 -11.972 4.123 4.118 322 HA THR 43 HA THR 43 -14.344 2.345 3.926 323 HB THR 43 HB THR 43 -12.421 3.129 1.681 324 HG1 THR 43 1HG THR 43 -14.800 4.250 2.583 325 1HG2 THR 43 1HG2 THR 43 -15.064 1.628 1.667 326 2HG2 THR 43 2HG2 THR 43 -14.262 2.283 0.217 327 3HG2 THR 43 3HG2 THR 43 -13.472 1.011 1.152 328 H GLU 44 H GLU 44 -11.780 2.493 5.626 329 HA GLU 44 HA GLU 44 -9.911 1.269 6.155 330 1HB GLU 44 2HB GLU 44 -11.898 -0.946 5.498 331 2HB GLU 44 3HB GLU 44 -10.413 -1.129 6.434 332 1HG GLU 44 2HG GLU 44 -12.111 -0.945 8.041 333 2HG GLU 44 3HG GLU 44 -11.286 0.616 8.061 334 H THR 45 H THR 45 -9.634 2.223 3.526 335 HA THR 45 HA THR 45 -8.351 -0.013 2.047 336 HB THR 45 HB THR 45 -10.467 1.977 1.153 337 HG1 THR 45 1HG THR 45 -11.170 -0.039 1.923 338 1HG2 THR 45 1HG2 THR 45 -8.762 2.007 -0.651 339 2HG2 THR 45 2HG2 THR 45 -8.861 0.232 -0.740 340 3HG2 THR 45 3HG2 THR 45 -10.265 1.215 -1.137 341 H VAL 46 H VAL 46 -6.713 0.645 0.605 342 HA VAL 46 HA VAL 46 -5.871 3.484 0.846 343 HB VAL 46 HB VAL 46 -4.685 2.256 2.531 344 1HG1 VAL 46 1HG1 VAL 46 -3.153 0.398 2.017 345 2HG1 VAL 46 2HG1 VAL 46 -4.786 -0.046 1.500 346 3HG1 VAL 46 3HG1 VAL 46 -3.585 0.457 0.302 347 1HG2 VAL 46 1HG2 VAL 46 -2.438 2.845 1.951 348 2HG2 VAL 46 2HG2 VAL 46 -2.775 2.719 0.203 349 3HG2 VAL 46 3HG2 VAL 46 -3.456 4.037 1.148 350 H ASN 47 H ASN 47 -4.696 4.265 -0.902 351 HA ASN 47 HA ASN 47 -4.802 2.591 -3.338 352 1HB ASN 47 2HB ASN 47 -6.504 4.347 -3.442 353 2HB ASN 47 3HB ASN 47 -5.311 5.574 -2.995 354 1HD2 ASN 47 1HD2 ASN 47 -3.552 6.074 -4.567 355 2HD2 ASN 47 2HD2 ASN 47 -3.878 5.772 -6.265 356 H VAL 48 H VAL 48 -2.892 2.566 -4.538 357 HA VAL 48 HA VAL 48 -0.817 4.516 -3.816 358 HB VAL 48 HB VAL 48 -0.337 2.723 -2.272 359 1HG1 VAL 48 1HG1 VAL 48 -0.122 0.910 -4.684 360 2HG1 VAL 48 2HG1 VAL 48 0.333 0.478 -3.024 361 3HG1 VAL 48 3HG1 VAL 48 -1.358 0.824 -3.402 362 1HG2 VAL 48 1HG2 VAL 48 1.603 3.875 -3.096 363 2HG2 VAL 48 2HG2 VAL 48 1.992 2.164 -2.973 364 3HG2 VAL 48 3HG2 VAL 48 1.658 2.873 -4.565 365 H ILE 49 H ILE 49 0.260 5.213 -5.482 366 HA ILE 49 HA ILE 49 -0.388 4.127 -8.157 367 HB ILE 49 HB ILE 49 0.696 6.878 -7.461 368 1HG1 ILE 49 2HG1 ILE 49 -1.868 7.222 -8.476 369 2HG1 ILE 49 3HG1 ILE 49 -2.083 5.808 -7.443 370 1HG2 ILE 49 1HG2 ILE 49 1.190 6.012 -9.737 371 2HG2 ILE 49 2HG2 ILE 49 -0.541 5.729 -10.004 372 3HG2 ILE 49 3HG2 ILE 49 0.074 7.382 -9.782 373 1HD1 ILE 49 1HD1 ILE 49 -2.544 7.818 -6.166 374 2HD1 ILE 49 2HD1 ILE 49 -1.007 7.163 -5.563 375 3HD1 ILE 49 3HD1 ILE 49 -1.024 8.550 -6.688 376 H TYR 50 H TYR 50 1.142 2.880 -8.986 377 HA TYR 50 HA TYR 50 3.987 3.531 -8.607 378 1HB TYR 50 2HB TYR 50 4.468 1.061 -8.168 379 2HB TYR 50 3HB TYR 50 3.837 1.971 -6.835 380 HD1 TYR 50 HD1 TYR 50 2.465 -0.084 -9.747 381 HD2 TYR 50 HD2 TYR 50 2.373 0.711 -5.507 382 HE1 TYR 50 HE1 TYR 50 0.895 -1.934 -9.439 383 HE2 TYR 50 HE2 TYR 50 0.881 -1.226 -5.195 384 HH TYR 50 HH TYR 50 -0.256 -2.954 -6.233 385 H ASP 51 H ASP 51 5.357 2.091 -9.952 386 HA ASP 51 HA ASP 51 4.128 1.863 -12.624 387 1HB ASP 51 2HB ASP 51 6.040 3.363 -12.099 388 2HB ASP 51 3HB ASP 51 7.027 1.976 -11.749 389 HA PRO 52 HA PRO 52 4.582 -2.638 -11.658 390 1HB PRO 52 2HB PRO 52 3.117 -3.682 -13.654 391 2HB PRO 52 3HB PRO 52 2.371 -2.798 -12.293 392 1HG PRO 52 2HG PRO 52 3.089 -1.697 -15.027 393 2HG PRO 52 3HG PRO 52 1.512 -1.582 -14.191 394 1HD PRO 52 2HD PRO 52 3.382 0.396 -14.112 395 2HD PRO 52 3HD PRO 52 2.355 0.052 -12.679 396 H ALA 53 H ALA 53 6.427 -0.847 -13.645 397 HA ALA 53 HA ALA 53 7.438 -3.081 -15.337 398 1HB ALA 53 1HB ALA 53 9.048 -1.465 -16.143 399 2HB ALA 53 2HB ALA 53 7.427 -0.741 -16.207 400 3HB ALA 53 3HB ALA 53 8.564 -0.280 -14.919 401 H GLU 54 H GLU 54 8.356 -0.984 -12.645 402 HA GLU 54 HA GLU 54 10.528 -2.737 -11.675 403 1HB GLU 54 2HB GLU 54 9.238 -0.157 -10.672 404 2HB GLU 54 3HB GLU 54 10.589 -0.952 -9.891 405 1HG GLU 54 2HG GLU 54 11.203 -0.600 -12.731 406 2HG GLU 54 3HG GLU 54 10.637 0.929 -12.052 407 H THR 55 H THR 55 7.333 -1.580 -10.774 408 HA THR 55 HA THR 55 7.278 -3.215 -8.342 409 HB THR 55 HB THR 55 6.840 -0.320 -8.757 410 HG1 THR 55 1HG THR 55 8.924 -0.484 -7.527 411 1HG2 THR 55 1HG2 THR 55 7.114 -0.279 -6.268 412 2HG2 THR 55 2HG2 THR 55 5.600 -0.950 -6.899 413 3HG2 THR 55 3HG2 THR 55 6.875 -2.070 -6.280 414 H GLY 56 H GLY 56 5.523 -4.203 -7.727 415 1HA GLY 56 2HA GLY 56 3.268 -2.647 -7.347 416 2HA GLY 56 3HA GLY 56 2.854 -3.816 -8.623 417 H THR 57 H THR 57 1.419 -4.736 -7.246 418 HA THR 57 HA THR 57 1.238 -5.693 -4.828 419 HB THR 57 HB THR 57 -0.604 -6.171 -6.065 420 HG1 THR 57 1HG THR 57 -0.277 -8.106 -4.982 421 1HG2 THR 57 1HG2 THR 57 1.137 -7.445 -8.228 422 2HG2 THR 57 2HG2 THR 57 -0.636 -7.450 -8.198 423 3HG2 THR 57 3HG2 THR 57 0.216 -5.920 -8.345 424 H ALA 58 H ALA 58 3.230 -7.544 -7.195 425 HA ALA 58 HA ALA 58 3.959 -9.648 -5.527 426 1HB ALA 58 1HB ALA 58 6.033 -9.768 -6.905 427 2HB ALA 58 2HB ALA 58 4.598 -9.502 -7.917 428 3HB ALA 58 3HB ALA 58 5.699 -8.153 -7.555 429 H ALA 59 H ALA 59 5.441 -6.381 -5.623 430 HA ALA 59 HA ALA 59 7.625 -7.222 -3.782 431 1HB ALA 59 1HB ALA 59 8.448 -4.945 -4.113 432 2HB ALA 59 2HB ALA 59 8.173 -5.710 -5.686 433 3HB ALA 59 3HB ALA 59 7.011 -4.517 -5.065 434 H ILE 60 H ILE 60 4.682 -5.328 -4.101 435 HA ILE 60 HA ILE 60 5.010 -4.048 -1.615 436 HB ILE 60 HB ILE 60 3.015 -4.118 -3.823 437 1HG1 ILE 60 2HG1 ILE 60 3.288 -1.541 -2.720 438 2HG1 ILE 60 3HG1 ILE 60 4.892 -2.211 -2.559 439 1HG2 ILE 60 1HG2 ILE 60 2.051 -3.407 -1.075 440 2HG2 ILE 60 2HG2 ILE 60 1.364 -2.732 -2.569 441 3HG2 ILE 60 3HG2 ILE 60 1.351 -4.468 -2.294 442 1HD1 ILE 60 1HD1 ILE 60 3.302 -2.163 -5.126 443 2HD1 ILE 60 2HD1 ILE 60 4.618 -1.058 -4.678 444 3HD1 ILE 60 3HD1 ILE 60 4.960 -2.784 -4.918 445 H GLN 61 H GLN 61 2.929 -6.906 -2.398 446 HA GLN 61 HA GLN 61 1.836 -7.178 0.219 447 1HB GLN 61 2HB GLN 61 2.521 -9.106 -2.005 448 2HB GLN 61 3HB GLN 61 2.222 -9.724 -0.377 449 1HG GLN 61 2HG GLN 61 0.204 -9.943 -1.466 450 2HG GLN 61 3HG GLN 61 0.017 -8.630 -0.310 451 1HE2 GLN 61 1HE2 GLN 61 0.781 -6.376 -1.583 452 2HE2 GLN 61 2HE2 GLN 61 -0.202 -6.140 -3.020 453 H GLU 62 H GLU 62 4.878 -8.467 -1.120 454 HA GLU 62 HA GLU 62 5.935 -9.704 1.108 455 1HB GLU 62 2HB GLU 62 6.813 -9.026 -1.453 456 2HB GLU 62 3HB GLU 62 7.880 -8.029 -0.483 457 1HG GLU 62 2HG GLU 62 7.479 -11.042 -0.138 458 2HG GLU 62 3HG GLU 62 8.714 -10.290 -1.159 459 H LYS 63 H LYS 63 6.310 -6.187 0.304 460 HA LYS 63 HA LYS 63 7.707 -5.799 2.797 461 1HB LYS 63 2HB LYS 63 7.091 -4.211 0.421 462 2HB LYS 63 3HB LYS 63 6.722 -3.328 1.888 463 1HG LYS 63 2HG LYS 63 9.040 -2.924 1.296 464 2HG LYS 63 3HG LYS 63 8.993 -3.848 2.791 465 1HD LYS 63 2HD LYS 63 9.006 -5.702 0.535 466 2HD LYS 63 3HD LYS 63 10.281 -4.513 0.287 467 1HE LYS 63 2HE LYS 63 11.310 -5.043 2.433 468 2HE LYS 63 3HE LYS 63 9.957 -6.104 2.873 469 1HZ LYS 63 1HZ LYS 63 10.507 -7.553 1.104 470 2HZ LYS 63 2HZ LYS 63 11.767 -6.625 0.607 471 3HZ LYS 63 3HZ LYS 63 11.789 -7.389 2.069 472 H ILE 64 H ILE 64 4.265 -5.368 1.833 473 HA ILE 64 HA ILE 64 3.386 -3.970 4.024 474 HB ILE 64 HB ILE 64 2.067 -6.142 2.397 475 1HG1 ILE 64 2HG1 ILE 64 2.518 -3.889 1.297 476 2HG1 ILE 64 3HG1 ILE 64 0.886 -4.554 1.246 477 1HG2 ILE 64 1HG2 ILE 64 0.997 -4.547 4.721 478 2HG2 ILE 64 2HG2 ILE 64 -0.076 -5.199 3.470 479 3HG2 ILE 64 3HG2 ILE 64 0.904 -6.306 4.416 480 1HD1 ILE 64 1HD1 ILE 64 1.953 -2.223 2.780 481 2HD1 ILE 64 2HD1 ILE 64 0.539 -2.317 1.696 482 3HD1 ILE 64 3HD1 ILE 64 0.419 -2.985 3.293 483 H GLU 65 H GLU 65 3.809 -7.561 3.543 484 HA GLU 65 HA GLU 65 3.011 -8.527 6.080 485 1HB GLU 65 2HB GLU 65 4.919 -9.418 3.944 486 2HB GLU 65 3HB GLU 65 4.864 -10.291 5.482 487 1HG GLU 65 2HG GLU 65 2.294 -9.718 3.973 488 2HG GLU 65 3HG GLU 65 3.339 -11.061 3.496 489 H LYS 66 H LYS 66 6.176 -7.174 5.063 490 HA LYS 66 HA LYS 66 7.419 -7.764 7.603 491 1HB LYS 66 2HB LYS 66 8.447 -7.400 5.200 492 2HB LYS 66 3HB LYS 66 8.400 -5.699 5.667 493 1HG LYS 66 2HG LYS 66 10.575 -6.393 6.333 494 2HG LYS 66 3HG LYS 66 9.645 -6.421 7.821 495 1HD LYS 66 2HD LYS 66 11.004 -8.354 7.813 496 2HD LYS 66 3HD LYS 66 9.356 -8.928 7.540 497 1HE LYS 66 2HE LYS 66 9.794 -9.223 5.138 498 2HE LYS 66 3HE LYS 66 11.362 -8.411 5.286 499 1HZ LYS 66 1HZ LYS 66 12.121 -10.240 6.629 500 2HZ LYS 66 2HZ LYS 66 10.657 -10.991 6.511 501 3HZ LYS 66 3HZ LYS 66 11.577 -10.776 5.171 502 H LEU 67 H LEU 67 5.786 -4.889 6.187 503 HA LEU 67 HA LEU 67 6.299 -3.082 8.306 504 1HB LEU 67 2HB LEU 67 4.131 -3.480 6.224 505 2HB LEU 67 3HB LEU 67 3.820 -2.378 7.524 506 HG LEU 67 HG LEU 67 4.548 -1.234 5.629 507 1HD1 LEU 67 1HD1 LEU 67 5.298 -0.473 7.942 508 2HD1 LEU 67 2HD1 LEU 67 6.906 -1.129 7.537 509 3HD1 LEU 67 3HD1 LEU 67 6.220 0.193 6.580 510 1HD2 LEU 67 1HD2 LEU 67 5.800 -2.701 4.339 511 2HD2 LEU 67 2HD2 LEU 67 6.849 -1.338 4.704 512 3HD2 LEU 67 3HD2 LEU 67 7.083 -2.866 5.575 513 H GLY 68 H GLY 68 4.459 -6.059 8.254 514 1HA GLY 68 2HA GLY 68 3.906 -7.198 10.188 515 2HA GLY 68 3HA GLY 68 3.885 -5.702 11.131 516 H TYR 69 H TYR 69 2.283 -6.101 7.944 517 HA TYR 69 HA TYR 69 -0.379 -6.365 9.254 518 1HB TYR 69 2HB TYR 69 0.359 -4.258 7.179 519 2HB TYR 69 3HB TYR 69 -1.264 -4.593 7.773 520 HD1 TYR 69 HD1 TYR 69 -2.084 -3.480 9.728 521 HD2 TYR 69 HD2 TYR 69 2.104 -3.375 8.781 522 HE1 TYR 69 HE1 TYR 69 -1.718 -1.798 11.514 523 HE2 TYR 69 HE2 TYR 69 2.506 -1.827 10.651 524 HH TYR 69 HH TYR 69 -0.175 -0.546 12.667 525 H HIS 70 H HIS 70 -2.013 -6.803 7.413 526 HA HIS 70 HA HIS 70 -0.747 -8.109 5.105 527 1HB HIS 70 2HB HIS 70 -2.844 -9.686 5.315 528 2HB HIS 70 3HB HIS 70 -1.246 -10.017 5.975 529 HD1 HIS 70 1HD HIS 70 -2.190 -11.751 7.687 530 HD2 HIS 70 2HD HIS 70 -3.572 -7.817 8.041 531 HE1 HIS 70 1HE HIS 70 -3.448 -11.621 9.913 532 H VAL 71 H VAL 71 -1.464 -7.452 3.372 533 HA VAL 71 HA VAL 71 -3.830 -5.697 3.097 534 HB VAL 71 HB VAL 71 -1.702 -4.917 2.150 535 1HG1 VAL 71 1HG1 VAL 71 -0.754 -7.116 1.424 536 2HG1 VAL 71 2HG1 VAL 71 -1.993 -7.193 0.145 537 3HG1 VAL 71 3HG1 VAL 71 -0.776 -5.908 0.131 538 1HG2 VAL 71 1HG2 VAL 71 -2.497 -4.234 -0.009 539 2HG2 VAL 71 2HG2 VAL 71 -3.843 -5.379 0.065 540 3HG2 VAL 71 3HG2 VAL 71 -3.726 -4.038 1.239 541 H VAL 72 H VAL 72 -5.507 -6.161 1.587 542 HA VAL 72 HA VAL 72 -5.671 -9.030 0.711 543 HB VAL 72 HB VAL 72 -8.214 -8.581 0.877 544 1HG1 VAL 72 1HG1 VAL 72 -7.027 -10.235 2.232 545 2HG1 VAL 72 2HG1 VAL 72 -6.572 -8.959 3.395 546 3HG1 VAL 72 3HG1 VAL 72 -8.286 -9.389 3.159 547 1HG2 VAL 72 1HG2 VAL 72 -8.944 -7.096 2.628 548 2HG2 VAL 72 2HG2 VAL 72 -7.280 -6.651 3.055 549 3HG2 VAL 72 3HG2 VAL 72 -7.964 -6.169 1.472 550 H ILE 73 H ILE 73 -6.135 -9.388 -1.339 551 HA ILE 73 HA ILE 73 -6.544 -7.060 -3.162 552 HB ILE 73 HB ILE 73 -5.376 -9.802 -3.752 553 1HG1 ILE 73 2HG1 ILE 73 -3.846 -8.673 -2.232 554 2HG1 ILE 73 3HG1 ILE 73 -3.194 -8.777 -3.859 555 1HG2 ILE 73 1HG2 ILE 73 -5.520 -7.233 -5.389 556 2HG2 ILE 73 2HG2 ILE 73 -4.587 -8.676 -5.836 557 3HG2 ILE 73 3HG2 ILE 73 -6.349 -8.761 -5.724 558 1HD1 ILE 73 1HD1 ILE 73 -4.461 -6.265 -2.665 559 2HD1 ILE 73 2HD1 ILE 73 -2.731 -6.599 -2.783 560 3HD1 ILE 73 3HD1 ILE 73 -3.683 -6.399 -4.261 561 H GLU 74 H GLU 74 -8.745 -6.942 -3.051 562 HA GLU 74 HA GLU 74 -10.247 -8.979 -4.490 563 1HB GLU 74 2HB GLU 74 -10.613 -9.354 -1.922 564 2HB GLU 74 3HB GLU 74 -11.368 -7.756 -1.930 565 1HG GLU 74 2HG GLU 74 -12.781 -8.887 -3.963 566 2HG GLU 74 3HG GLU 74 -12.318 -10.359 -3.107 567 H GLY 75 H GLY 75 -11.945 -7.860 -5.642 568 1HA GLY 75 2HA GLY 75 -13.200 -5.590 -5.536 569 2HA GLY 75 3HA GLY 75 -11.596 -4.905 -5.861 570 H ARG 76 H ARG 76 -10.356 -6.205 -7.737 571 HA ARG 76 HA ARG 76 -11.737 -7.480 -9.782 572 1HB ARG 76 2HB ARG 76 -11.465 -5.712 -11.511 573 2HB ARG 76 3HB ARG 76 -12.763 -5.330 -10.377 574 1HG ARG 76 2HG ARG 76 -11.507 -3.645 -9.287 575 2HG ARG 76 3HG ARG 76 -9.959 -4.261 -9.893 576 1HD ARG 76 2HD ARG 76 -10.594 -3.652 -12.195 577 2HD ARG 76 3HD ARG 76 -12.105 -2.926 -11.576 578 HE ARG 76 HE ARG 76 -9.899 -1.855 -10.138 579 1HH1 ARG 76 2HH2 ARG 76 -11.207 -1.795 -13.392 580 2HH1 ARG 76 1HH2 ARG 76 -10.591 -0.227 -13.817 581 1HH2 ARG 76 2HH1 ARG 76 -9.026 0.233 -10.632 582 2HH2 ARG 76 1HH1 ARG 76 -9.343 0.978 -12.163 Start of MODEL 6 1 1H MET 1 H1 MET 1 9.788 1.126 -27.326 2 2H MET 1 H2 MET 1 10.336 -0.448 -27.291 3 3H MET 1 H3 MET 1 8.732 -0.101 -27.076 4 HA MET 1 HA MET 1 9.640 -0.536 -24.939 5 1HB MET 1 2HB MET 1 11.538 1.753 -25.643 6 2HB MET 1 3HB MET 1 11.406 0.971 -24.065 7 1HG MET 1 2HG MET 1 12.244 -1.137 -24.998 8 2HG MET 1 3HG MET 1 12.314 -0.419 -26.620 9 1HE MET 1 1HE MET 1 14.780 -1.133 -26.995 10 2HE MET 1 2HE MET 1 16.083 -0.798 -25.833 11 3HE MET 1 3HE MET 1 14.776 -1.923 -25.396 12 H LEU 2 H LEU 2 8.208 0.425 -23.444 13 HA LEU 2 HA LEU 2 7.735 3.255 -23.385 14 1HB LEU 2 2HB LEU 2 5.438 1.329 -24.056 15 2HB LEU 2 3HB LEU 2 5.223 2.898 -23.301 16 HG LEU 2 HG LEU 2 6.685 3.687 -25.455 17 1HD1 LEU 2 1HD1 LEU 2 4.849 1.468 -26.482 18 2HD1 LEU 2 2HD1 LEU 2 5.855 2.562 -27.454 19 3HD1 LEU 2 3HD1 LEU 2 6.611 1.328 -26.432 20 1HD2 LEU 2 1HD2 LEU 2 4.561 4.432 -26.421 21 2HD2 LEU 2 2HD2 LEU 2 3.669 3.336 -25.342 22 3HD2 LEU 2 3HD2 LEU 2 4.599 4.694 -24.672 23 H SER 3 H SER 3 6.184 3.559 -21.364 24 HA SER 3 HA SER 3 6.001 1.343 -19.544 25 1HB SER 3 2HB SER 3 7.167 2.701 -17.687 26 2HB SER 3 3HB SER 3 8.222 1.902 -18.865 27 HG SER 3 HG SER 3 8.269 3.935 -20.013 28 H GLU 4 H GLU 4 4.471 1.940 -17.838 29 HA GLU 4 HA GLU 4 3.173 4.500 -17.867 30 1HB GLU 4 2HB GLU 4 0.991 3.639 -18.727 31 2HB GLU 4 3HB GLU 4 2.257 3.664 -19.955 32 1HG GLU 4 2HG GLU 4 2.621 1.148 -19.409 33 2HG GLU 4 3HG GLU 4 1.083 1.254 -18.542 34 H GLN 5 H GLN 5 1.930 4.665 -16.006 35 HA GLN 5 HA GLN 5 2.334 2.429 -14.071 36 1HB GLN 5 2HB GLN 5 2.309 4.131 -12.380 37 2HB GLN 5 3HB GLN 5 3.637 4.365 -13.536 38 1HG GLN 5 2HG GLN 5 2.262 6.192 -14.619 39 2HG GLN 5 3HG GLN 5 1.031 5.958 -13.366 40 1HE2 GLN 5 1HE2 GLN 5 3.461 5.369 -11.414 41 2HE2 GLN 5 2HE2 GLN 5 3.930 6.953 -10.942 42 H LYS 6 H LYS 6 0.742 2.581 -12.134 43 HA LYS 6 HA LYS 6 -1.895 3.572 -12.900 44 1HB LYS 6 2HB LYS 6 -1.211 0.651 -12.978 45 2HB LYS 6 3HB LYS 6 -2.600 1.048 -11.972 46 1HG LYS 6 2HG LYS 6 -3.504 2.417 -13.916 47 2HG LYS 6 3HG LYS 6 -2.267 1.628 -14.923 48 1HD LYS 6 2HD LYS 6 -3.155 -0.606 -14.155 49 2HD LYS 6 3HD LYS 6 -4.413 0.216 -13.229 50 1HE LYS 6 2HE LYS 6 -4.047 0.265 -16.267 51 2HE LYS 6 3HE LYS 6 -5.291 -0.619 -15.371 52 1HZ LYS 6 1HZ LYS 6 -6.150 1.511 -14.611 53 2HZ LYS 6 2HZ LYS 6 -5.020 2.311 -15.503 54 3HZ LYS 6 3HZ LYS 6 -6.163 1.405 -16.253 55 H GLU 7 H GLU 7 -3.427 3.378 -11.248 56 HA GLU 7 HA GLU 7 -2.443 3.562 -8.485 57 1HB GLU 7 2HB GLU 7 -4.965 3.955 -8.148 58 2HB GLU 7 3HB GLU 7 -4.039 5.246 -8.921 59 1HG GLU 7 2HG GLU 7 -4.906 4.688 -11.110 60 2HG GLU 7 3HG GLU 7 -5.637 3.183 -10.498 61 H ILE 8 H ILE 8 -2.925 1.939 -7.020 62 HA ILE 8 HA ILE 8 -4.881 -0.129 -7.807 63 HB ILE 8 HB ILE 8 -2.177 -0.731 -7.517 64 1HG1 ILE 8 2HG1 ILE 8 -2.998 -3.128 -7.164 65 2HG1 ILE 8 3HG1 ILE 8 -4.636 -2.463 -7.195 66 1HG2 ILE 8 1HG2 ILE 8 -2.196 -0.284 -5.103 67 2HG2 ILE 8 2HG2 ILE 8 -3.470 -1.513 -4.883 68 3HG2 ILE 8 3HG2 ILE 8 -1.870 -1.983 -5.463 69 1HD1 ILE 8 1HD1 ILE 8 -3.874 -3.283 -9.424 70 2HD1 ILE 8 2HD1 ILE 8 -4.169 -1.536 -9.479 71 3HD1 ILE 8 3HD1 ILE 8 -2.506 -2.153 -9.376 72 H ALA 9 H ALA 9 -6.174 -0.725 -6.038 73 HA ALA 9 HA ALA 9 -5.967 0.876 -3.564 74 1HB ALA 9 1HB ALA 9 -8.337 1.505 -3.704 75 2HB ALA 9 2HB ALA 9 -7.427 2.188 -5.066 76 3HB ALA 9 3HB ALA 9 -8.454 0.760 -5.314 77 H MET 10 H MET 10 -6.217 -0.466 -1.838 78 HA MET 10 HA MET 10 -7.877 -2.873 -2.085 79 1HB MET 10 2HB MET 10 -6.005 -4.385 -1.720 80 2HB MET 10 3HB MET 10 -5.899 -3.536 -3.262 81 1HG MET 10 2HG MET 10 -4.368 -1.845 -2.125 82 2HG MET 10 3HG MET 10 -4.430 -2.925 -0.723 83 1HE MET 10 1HE MET 10 -1.985 -1.640 -2.663 84 2HE MET 10 2HE MET 10 -1.584 -2.502 -1.159 85 3HE MET 10 3HE MET 10 -0.856 -3.006 -2.707 86 H GLN 11 H GLN 11 -7.750 -4.207 -0.001 87 HA GLN 11 HA GLN 11 -8.117 -2.253 2.195 88 1HB GLN 11 2HB GLN 11 -9.143 -5.086 2.305 89 2HB GLN 11 3HB GLN 11 -9.647 -3.651 3.168 90 1HG GLN 11 2HG GLN 11 -11.389 -3.996 1.711 91 2HG GLN 11 3HG GLN 11 -10.464 -2.746 0.878 92 1HE2 GLN 11 1HE2 GLN 11 -9.464 -3.316 -1.078 93 2HE2 GLN 11 2HE2 GLN 11 -9.694 -4.831 -1.937 94 H VAL 12 H VAL 12 -7.290 -2.640 4.301 95 HA VAL 12 HA VAL 12 -5.041 -4.600 4.397 96 HB VAL 12 HB VAL 12 -4.968 -2.065 6.003 97 1HG1 VAL 12 1HG1 VAL 12 -2.877 -3.732 4.573 98 2HG1 VAL 12 2HG1 VAL 12 -2.572 -2.350 5.641 99 3HG1 VAL 12 3HG1 VAL 12 -3.269 -3.843 6.314 100 1HG2 VAL 12 1HG2 VAL 12 -4.178 -2.298 3.068 101 2HG2 VAL 12 2HG2 VAL 12 -5.387 -1.177 3.745 102 3HG2 VAL 12 3HG2 VAL 12 -3.679 -0.981 4.167 103 H SER 13 H SER 13 -4.783 -5.823 6.233 104 HA SER 13 HA SER 13 -7.012 -5.774 8.188 105 1HB SER 13 2HB SER 13 -5.847 -7.878 7.180 106 2HB SER 13 3HB SER 13 -4.534 -7.483 8.312 107 HG SER 13 HG SER 13 -7.259 -8.015 8.937 108 H GLY 14 H GLY 14 -6.816 -4.315 9.834 109 1HA GLY 14 2HA GLY 14 -5.859 -3.435 11.780 110 2HA GLY 14 3HA GLY 14 -4.281 -4.074 11.325 111 H MET 15 H MET 15 -6.693 -1.512 10.557 112 HA MET 15 HA MET 15 -4.537 0.404 10.061 113 1HB MET 15 2HB MET 15 -5.884 1.282 8.191 114 2HB MET 15 3HB MET 15 -5.253 -0.346 7.889 115 1HG MET 15 2HG MET 15 -7.647 -1.122 8.735 116 2HG MET 15 3HG MET 15 -8.068 0.554 8.481 117 1HE MET 15 1HE MET 15 -5.879 0.738 5.750 118 2HE MET 15 2HE MET 15 -7.025 0.416 4.447 119 3HE MET 15 3HE MET 15 -7.476 1.543 5.740 120 H THR 16 H THR 16 -6.136 2.592 9.775 121 HA THR 16 HA THR 16 -6.926 4.186 11.147 122 HB THR 16 HB THR 16 -8.967 3.206 10.053 123 HG1 THR 16 1HG THR 16 -9.250 4.247 12.665 124 1HG2 THR 16 1HG2 THR 16 -9.356 1.706 12.667 125 2HG2 THR 16 2HG2 THR 16 -10.614 2.025 11.458 126 3HG2 THR 16 3HG2 THR 16 -9.226 1.033 11.028 127 H CYS 17 H CYS 17 -5.098 2.497 12.563 128 HA CYS 17 HA CYS 17 -6.173 2.759 15.342 129 1HB CYS 17 2HB CYS 17 -5.908 0.438 14.188 130 2HB CYS 17 3HB CYS 17 -4.168 0.680 14.436 131 HG CYS 17 HG CYS 17 -6.651 0.738 16.597 132 H ALA 18 H ALA 18 -5.092 4.917 14.338 133 HA ALA 18 HA ALA 18 -3.716 6.598 14.939 134 1HB ALA 18 1HB ALA 18 -3.250 5.482 17.099 135 2HB ALA 18 2HB ALA 18 -1.833 4.695 16.365 136 3HB ALA 18 3HB ALA 18 -1.910 6.455 16.466 137 H ALA 19 H ALA 19 -3.524 6.714 12.667 138 HA ALA 19 HA ALA 19 -2.401 7.014 10.727 139 1HB ALA 19 1HB ALA 19 -0.149 7.893 10.932 140 2HB ALA 19 2HB ALA 19 -1.125 8.467 12.296 141 3HB ALA 19 3HB ALA 19 0.047 7.152 12.531 142 H CYS 20 H CYS 20 -2.766 4.243 11.502 143 HA CYS 20 HA CYS 20 -0.347 2.764 11.092 144 1HB CYS 20 2HB CYS 20 -3.263 1.916 11.147 145 2HB CYS 20 3HB CYS 20 -1.937 0.778 10.792 146 HG CYS 20 HG CYS 20 -0.495 1.603 12.923 147 H ALA 21 H ALA 21 -3.250 2.894 8.941 148 HA ALA 21 HA ALA 21 -2.071 1.689 6.687 149 1HB ALA 21 1HB ALA 21 -4.189 3.799 6.877 150 2HB ALA 21 2HB ALA 21 -3.783 2.891 5.389 151 3HB ALA 21 3HB ALA 21 -4.399 2.038 6.812 152 H ALA 22 H ALA 22 -2.018 5.075 7.717 153 HA ALA 22 HA ALA 22 -0.670 6.207 5.509 154 1HB ALA 22 1HB ALA 22 0.074 7.897 7.251 155 2HB ALA 22 2HB ALA 22 -1.677 7.572 7.230 156 3HB ALA 22 3HB ALA 22 -0.672 6.851 8.491 157 H ARG 23 H ARG 23 0.786 4.951 8.596 158 HA ARG 23 HA ARG 23 3.505 5.172 7.721 159 1HB ARG 23 2HB ARG 23 2.089 3.479 9.812 160 2HB ARG 23 3HB ARG 23 3.839 3.413 9.592 161 1HG ARG 23 2HG ARG 23 2.412 6.064 9.980 162 2HG ARG 23 3HG ARG 23 2.843 5.063 11.366 163 1HD ARG 23 2HD ARG 23 5.078 5.378 11.153 164 2HD ARG 23 3HD ARG 23 5.048 5.507 9.384 165 HE ARG 23 HE ARG 23 3.718 7.770 10.248 166 1HH1 ARG 23 2HH2 ARG 23 6.919 6.406 10.795 167 2HH1 ARG 23 1HH2 ARG 23 7.744 7.929 10.890 168 1HH2 ARG 23 2HH1 ARG 23 4.780 9.828 10.303 169 2HH2 ARG 23 1HH1 ARG 23 6.486 9.926 10.582 170 H ILE 24 H ILE 24 1.283 2.408 7.656 171 HA ILE 24 HA ILE 24 2.905 0.429 6.605 172 HB ILE 24 HB ILE 24 -0.031 1.044 6.177 173 1HG1 ILE 24 2HG1 ILE 24 1.245 -1.189 7.757 174 2HG1 ILE 24 3HG1 ILE 24 0.957 0.369 8.510 175 1HG2 ILE 24 1HG2 ILE 24 0.654 -0.321 4.277 176 2HG2 ILE 24 2HG2 ILE 24 1.524 -1.432 5.364 177 3HG2 ILE 24 3HG2 ILE 24 -0.247 -1.330 5.393 178 1HD1 ILE 24 1HD1 ILE 24 -0.896 -1.115 9.058 179 2HD1 ILE 24 2HD1 ILE 24 -1.490 0.158 8.036 180 3HD1 ILE 24 3HD1 ILE 24 -1.212 -1.452 7.360 181 H GLU 25 H GLU 25 0.834 2.745 4.725 182 HA GLU 25 HA GLU 25 1.875 1.723 2.306 183 1HB GLU 25 2HB GLU 25 -0.208 3.520 2.966 184 2HB GLU 25 3HB GLU 25 0.941 4.530 2.097 185 1HG GLU 25 2HG GLU 25 -0.372 1.976 1.109 186 2HG GLU 25 3HG GLU 25 -0.597 3.635 0.499 187 H LYS 26 H LYS 26 2.684 4.652 4.309 188 HA LYS 26 HA LYS 26 4.490 5.913 2.626 189 1HB LYS 26 2HB LYS 26 4.179 5.653 5.609 190 2HB LYS 26 3HB LYS 26 5.546 6.518 4.963 191 1HG LYS 26 2HG LYS 26 2.835 7.201 3.794 192 2HG LYS 26 3HG LYS 26 3.171 7.722 5.445 193 1HD LYS 26 2HD LYS 26 5.233 8.804 4.793 194 2HD LYS 26 3HD LYS 26 5.086 8.238 3.116 195 1HE LYS 26 2HE LYS 26 3.231 9.688 2.672 196 2HE LYS 26 3HE LYS 26 2.862 9.907 4.387 197 1HZ LYS 26 1HZ LYS 26 4.791 11.245 4.637 198 2HZ LYS 26 2HZ LYS 26 5.242 11.029 3.069 199 3HZ LYS 26 3HZ LYS 26 3.865 11.850 3.429 200 H GLY 27 H GLY 27 5.064 3.079 4.721 201 1HA GLY 27 2HA GLY 27 7.849 2.746 4.185 202 2HA GLY 27 3HA GLY 27 6.699 1.456 4.521 203 H LEU 28 H LEU 28 4.951 1.689 2.255 204 HA LEU 28 HA LEU 28 6.558 0.439 0.183 205 1HB LEU 28 2HB LEU 28 3.740 1.491 0.009 206 2HB LEU 28 3HB LEU 28 4.523 0.391 -1.121 207 HG LEU 28 HG LEU 28 4.033 -0.290 1.790 208 1HD1 LEU 28 1HD1 LEU 28 1.877 -0.089 0.932 209 2HD1 LEU 28 2HD1 LEU 28 2.359 -0.554 -0.713 210 3HD1 LEU 28 3HD1 LEU 28 2.241 -1.769 0.536 211 1HD2 LEU 28 1HD2 LEU 28 4.774 -2.406 1.435 212 2HD2 LEU 28 2HD2 LEU 28 4.312 -2.447 -0.243 213 3HD2 LEU 28 3HD2 LEU 28 5.807 -1.641 0.211 214 H LYS 29 H LYS 29 5.304 3.751 0.753 215 HA LYS 29 HA LYS 29 6.060 4.727 -1.790 216 1HB LYS 29 2HB LYS 29 4.689 6.108 -0.659 217 2HB LYS 29 3HB LYS 29 5.663 6.230 0.780 218 1HG LYS 29 2HG LYS 29 7.417 7.455 -0.386 219 2HG LYS 29 3HG LYS 29 6.582 7.255 -1.931 220 1HD LYS 29 2HD LYS 29 5.549 8.829 0.476 221 2HD LYS 29 3HD LYS 29 6.352 9.493 -0.963 222 1HE LYS 29 2HE LYS 29 4.403 8.040 -2.174 223 2HE LYS 29 3HE LYS 29 3.573 8.374 -0.660 224 1HZ LYS 29 1HZ LYS 29 4.148 10.800 -1.130 225 2HZ LYS 29 2HZ LYS 29 4.579 10.313 -2.653 226 3HZ LYS 29 3HZ LYS 29 3.061 10.124 -2.117 227 H ARG 30 H ARG 30 8.142 3.575 0.753 228 HA ARG 30 HA ARG 30 10.521 4.820 -0.446 229 1HB ARG 30 2HB ARG 30 10.033 3.042 1.895 230 2HB ARG 30 3HB ARG 30 11.487 2.698 1.011 231 1HG ARG 30 2HG ARG 30 12.127 4.263 2.624 232 2HG ARG 30 3HG ARG 30 12.018 5.208 1.147 233 1HD ARG 30 2HD ARG 30 9.398 5.323 2.255 234 2HD ARG 30 3HD ARG 30 10.471 5.310 3.655 235 HE ARG 30 HE ARG 30 10.996 7.177 1.385 236 1HH1 ARG 30 2HH2 ARG 30 9.774 6.843 4.685 237 2HH1 ARG 30 1HH2 ARG 30 9.909 8.529 5.072 238 1HH2 ARG 30 2HH1 ARG 30 11.086 9.424 1.832 239 2HH2 ARG 30 1HH1 ARG 30 10.617 10.038 3.381 240 H MET 31 H MET 31 8.554 2.114 -1.447 241 HA MET 31 HA MET 31 10.763 0.550 -2.365 242 1HB MET 31 2HB MET 31 7.779 0.368 -2.871 243 2HB MET 31 3HB MET 31 8.928 -0.763 -3.569 244 1HG MET 31 2HG MET 31 8.758 -0.195 -0.586 245 2HG MET 31 3HG MET 31 7.909 -1.525 -1.373 246 1HE MET 31 1HE MET 31 8.933 -3.726 -2.104 247 2HE MET 31 2HE MET 31 9.815 -2.865 -3.389 248 3HE MET 31 3HE MET 31 10.673 -4.013 -2.348 249 HA PRO 32 HA PRO 32 11.754 2.729 -6.015 250 1HB PRO 32 2HB PRO 32 13.247 0.908 -7.390 251 2HB PRO 32 3HB PRO 32 13.768 1.590 -5.824 252 1HG PRO 32 2HG PRO 32 12.318 -1.043 -6.277 253 2HG PRO 32 3HG PRO 32 13.839 -0.784 -5.376 254 1HD PRO 32 2HD PRO 32 11.472 -0.877 -4.085 255 2HD PRO 32 3HD PRO 32 12.693 0.349 -3.617 256 H GLY 33 H GLY 33 9.659 3.073 -6.977 257 1HA GLY 33 2HA GLY 33 9.110 2.562 -9.542 258 2HA GLY 33 3HA GLY 33 8.580 1.060 -8.860 259 H VAL 34 H VAL 34 7.903 2.621 -6.231 260 HA VAL 34 HA VAL 34 5.194 3.396 -6.825 261 HB VAL 34 HB VAL 34 6.277 2.495 -4.676 262 1HG1 VAL 34 1HG1 VAL 34 7.472 3.872 -3.285 263 2HG1 VAL 34 2HG1 VAL 34 8.060 4.472 -4.820 264 3HG1 VAL 34 3HG1 VAL 34 6.813 5.385 -3.968 265 1HG2 VAL 34 1HG2 VAL 34 3.944 3.327 -4.869 266 2HG2 VAL 34 2HG2 VAL 34 4.653 3.514 -3.262 267 3HG2 VAL 34 3HG2 VAL 34 4.488 4.927 -4.327 268 H THR 35 H THR 35 4.281 5.474 -6.760 269 HA THR 35 HA THR 35 6.178 7.780 -6.921 270 HB THR 35 HB THR 35 3.606 8.411 -8.121 271 HG1 THR 35 1HG THR 35 5.018 6.159 -9.091 272 1HG2 THR 35 1HG2 THR 35 5.004 9.032 -10.023 273 2HG2 THR 35 2HG2 THR 35 5.729 9.631 -8.518 274 3HG2 THR 35 3HG2 THR 35 6.408 8.190 -9.319 275 H ASP 36 H ASP 36 2.738 6.905 -6.100 276 HA ASP 36 HA ASP 36 3.073 8.604 -3.764 277 1HB ASP 36 2HB ASP 36 2.313 9.993 -5.939 278 2HB ASP 36 3HB ASP 36 0.717 9.473 -5.377 279 H ALA 37 H ALA 37 1.583 8.522 -2.157 280 HA ALA 37 HA ALA 37 -0.056 6.011 -2.129 281 1HB ALA 37 1HB ALA 37 2.077 5.997 -0.789 282 2HB ALA 37 2HB ALA 37 1.439 7.346 0.166 283 3HB ALA 37 3HB ALA 37 0.590 5.789 0.176 284 H ASN 38 H ASN 38 -2.182 6.241 -1.298 285 HA ASN 38 HA ASN 38 -2.888 8.699 0.173 286 1HB ASN 38 2HB ASN 38 -4.042 7.950 -2.530 287 2HB ASN 38 3HB ASN 38 -5.035 8.746 -1.305 288 1HD2 ASN 38 1HD2 ASN 38 -2.817 9.383 -3.839 289 2HD2 ASN 38 2HD2 ASN 38 -2.503 11.051 -3.399 290 H VAL 39 H VAL 39 -3.598 7.856 1.980 291 HA VAL 39 HA VAL 39 -4.909 5.253 2.105 292 HB VAL 39 HB VAL 39 -3.364 5.868 3.822 293 1HG1 VAL 39 1HG1 VAL 39 -5.181 8.213 4.541 294 2HG1 VAL 39 2HG1 VAL 39 -3.756 7.664 5.439 295 3HG1 VAL 39 3HG1 VAL 39 -3.557 8.355 3.836 296 1HG2 VAL 39 1HG2 VAL 39 -6.220 5.904 4.863 297 2HG2 VAL 39 2HG2 VAL 39 -5.266 4.459 4.482 298 3HG2 VAL 39 3HG2 VAL 39 -4.782 5.549 5.813 299 H ASN 40 H ASN 40 -7.056 4.762 2.521 300 HA ASN 40 HA ASN 40 -8.986 6.984 2.618 301 1HB ASN 40 2HB ASN 40 -8.752 5.963 0.300 302 2HB ASN 40 3HB ASN 40 -9.365 4.449 0.966 303 1HD2 ASN 40 1HD2 ASN 40 -11.217 4.768 -0.582 304 2HD2 ASN 40 2HD2 ASN 40 -12.551 5.740 0.005 305 H LEU 41 H LEU 41 -8.593 6.368 4.950 306 HA LEU 41 HA LEU 41 -9.619 3.894 5.956 307 1HB LEU 41 2HB LEU 41 -9.451 6.598 7.358 308 2HB LEU 41 3HB LEU 41 -9.758 5.033 8.121 309 HG LEU 41 HG LEU 41 -7.217 5.982 6.773 310 1HD1 LEU 41 1HD1 LEU 41 -6.286 5.182 9.049 311 2HD1 LEU 41 2HD1 LEU 41 -7.296 6.653 9.059 312 3HD1 LEU 41 3HD1 LEU 41 -7.980 5.096 9.545 313 1HD2 LEU 41 1HD2 LEU 41 -6.333 3.642 7.418 314 2HD2 LEU 41 2HD2 LEU 41 -8.022 3.151 7.579 315 3HD2 LEU 41 3HD2 LEU 41 -7.384 3.724 6.009 316 H ALA 42 H ALA 42 -11.296 6.600 4.657 317 HA ALA 42 HA ALA 42 -13.814 6.339 5.984 318 1HB ALA 42 1HB ALA 42 -13.259 7.092 3.085 319 2HB ALA 42 2HB ALA 42 -14.720 7.449 4.014 320 3HB ALA 42 3HB ALA 42 -13.184 8.226 4.455 321 H THR 43 H THR 43 -12.086 4.280 3.745 322 HA THR 43 HA THR 43 -14.447 2.470 3.544 323 HB THR 43 HB THR 43 -12.348 3.022 1.400 324 HG1 THR 43 1HG THR 43 -14.816 4.268 1.935 325 1HG2 THR 43 1HG2 THR 43 -15.088 1.699 1.353 326 2HG2 THR 43 2HG2 THR 43 -14.191 2.195 -0.102 327 3HG2 THR 43 3HG2 THR 43 -13.521 0.949 0.958 328 H GLU 44 H GLU 44 -11.940 2.690 5.392 329 HA GLU 44 HA GLU 44 -9.988 1.580 5.871 330 1HB GLU 44 2HB GLU 44 -12.066 -0.644 5.882 331 2HB GLU 44 3HB GLU 44 -10.447 -0.772 6.561 332 1HG GLU 44 2HG GLU 44 -11.069 1.459 7.851 333 2HG GLU 44 3HG GLU 44 -12.730 0.935 7.534 334 H THR 45 H THR 45 -9.482 2.227 3.492 335 HA THR 45 HA THR 45 -8.242 -0.116 2.190 336 HB THR 45 HB THR 45 -10.238 1.888 0.985 337 HG1 THR 45 1HG THR 45 -11.137 0.000 1.925 338 1HG2 THR 45 1HG2 THR 45 -8.417 1.583 -0.684 339 2HG2 THR 45 2HG2 THR 45 -8.679 -0.175 -0.595 340 3HG2 THR 45 3HG2 THR 45 -9.954 0.878 -1.198 341 H VAL 46 H VAL 46 -6.457 0.518 0.885 342 HA VAL 46 HA VAL 46 -5.785 3.425 0.994 343 HB VAL 46 HB VAL 46 -4.516 2.410 2.715 344 1HG1 VAL 46 1HG1 VAL 46 -4.525 0.021 1.927 345 2HG1 VAL 46 2HG1 VAL 46 -3.405 0.452 0.628 346 3HG1 VAL 46 3HG1 VAL 46 -2.890 0.577 2.320 347 1HG2 VAL 46 1HG2 VAL 46 -3.369 4.095 1.170 348 2HG2 VAL 46 2HG2 VAL 46 -2.305 3.016 2.075 349 3HG2 VAL 46 3HG2 VAL 46 -2.637 2.715 0.349 350 H ASN 47 H ASN 47 -4.666 4.234 -0.758 351 HA ASN 47 HA ASN 47 -4.712 2.532 -3.168 352 1HB ASN 47 2HB ASN 47 -6.489 4.211 -3.270 353 2HB ASN 47 3HB ASN 47 -5.346 5.496 -2.852 354 1HD2 ASN 47 1HD2 ASN 47 -3.658 6.094 -4.467 355 2HD2 ASN 47 2HD2 ASN 47 -3.973 5.715 -6.152 356 H VAL 48 H VAL 48 -2.888 2.697 -4.504 357 HA VAL 48 HA VAL 48 -0.921 4.763 -3.908 358 HB VAL 48 HB VAL 48 -0.256 3.069 -2.346 359 1HG1 VAL 48 1HG1 VAL 48 0.546 0.822 -3.124 360 2HG1 VAL 48 2HG1 VAL 48 -1.199 1.047 -3.269 361 3HG1 VAL 48 3HG1 VAL 48 -0.169 1.156 -4.713 362 1HG2 VAL 48 1HG2 VAL 48 2.067 2.703 -3.064 363 2HG2 VAL 48 2HG2 VAL 48 1.632 3.096 -4.735 364 3HG2 VAL 48 3HG2 VAL 48 1.533 4.338 -3.465 365 H ILE 49 H ILE 49 0.303 5.303 -5.595 366 HA ILE 49 HA ILE 49 -0.381 4.187 -8.244 367 HB ILE 49 HB ILE 49 0.751 6.863 -7.387 368 1HG1 ILE 49 2HG1 ILE 49 -1.770 6.682 -8.970 369 2HG1 ILE 49 3HG1 ILE 49 -1.906 6.063 -7.323 370 1HG2 ILE 49 1HG2 ILE 49 1.699 6.247 -9.558 371 2HG2 ILE 49 2HG2 ILE 49 0.098 5.795 -10.171 372 3HG2 ILE 49 3HG2 ILE 49 0.467 7.492 -9.797 373 1HD1 ILE 49 1HD1 ILE 49 -1.045 8.156 -6.405 374 2HD1 ILE 49 2HD1 ILE 49 -0.841 8.814 -8.048 375 3HD1 ILE 49 3HD1 ILE 49 -2.468 8.450 -7.424 376 H TYR 50 H TYR 50 1.141 2.949 -9.189 377 HA TYR 50 HA TYR 50 3.987 3.441 -8.708 378 1HB TYR 50 2HB TYR 50 4.384 0.985 -8.253 379 2HB TYR 50 3HB TYR 50 3.681 1.867 -6.931 380 HD1 TYR 50 HD1 TYR 50 1.942 0.762 -5.786 381 HD2 TYR 50 HD2 TYR 50 2.592 -0.206 -9.939 382 HE1 TYR 50 HE1 TYR 50 0.371 -1.148 -5.616 383 HE2 TYR 50 HE2 TYR 50 0.910 -1.964 -9.808 384 HH TYR 50 HH TYR 50 -0.597 -3.094 -8.403 385 H ASP 51 H ASP 51 5.341 2.051 -10.066 386 HA ASP 51 HA ASP 51 4.122 1.755 -12.724 387 1HB ASP 51 2HB ASP 51 6.056 3.215 -12.301 388 2HB ASP 51 3HB ASP 51 7.020 1.828 -11.852 389 HA PRO 52 HA PRO 52 4.337 -2.744 -11.684 390 1HB PRO 52 2HB PRO 52 2.956 -3.739 -13.755 391 2HB PRO 52 3HB PRO 52 2.176 -2.804 -12.450 392 1HG PRO 52 2HG PRO 52 3.109 -1.768 -15.142 393 2HG PRO 52 3HG PRO 52 1.490 -1.570 -14.407 394 1HD PRO 52 2HD PRO 52 3.431 0.320 -14.226 395 2HD PRO 52 3HD PRO 52 2.319 0.028 -12.847 396 H ALA 53 H ALA 53 6.377 -1.076 -13.613 397 HA ALA 53 HA ALA 53 7.416 -3.418 -15.134 398 1HB ALA 53 1HB ALA 53 7.532 -1.117 -16.109 399 2HB ALA 53 2HB ALA 53 8.605 -0.633 -14.779 400 3HB ALA 53 3HB ALA 53 9.121 -1.888 -15.913 401 H GLU 54 H GLU 54 8.278 -1.182 -12.546 402 HA GLU 54 HA GLU 54 10.446 -2.878 -11.476 403 1HB GLU 54 2HB GLU 54 9.307 -0.122 -10.817 404 2HB GLU 54 3HB GLU 54 10.652 -0.860 -9.957 405 1HG GLU 54 2HG GLU 54 10.692 -0.317 -12.962 406 2HG GLU 54 3HG GLU 54 11.314 0.788 -11.731 407 H THR 55 H THR 55 7.202 -1.757 -10.692 408 HA THR 55 HA THR 55 7.169 -3.087 -8.059 409 HB THR 55 HB THR 55 6.640 -0.257 -8.730 410 HG1 THR 55 1HG THR 55 8.862 -1.470 -8.170 411 1HG2 THR 55 1HG2 THR 55 5.165 -0.867 -6.963 412 2HG2 THR 55 2HG2 THR 55 6.434 -1.816 -6.107 413 3HG2 THR 55 3HG2 THR 55 6.534 -0.019 -6.233 414 H GLY 56 H GLY 56 5.391 -4.084 -7.444 415 1HA GLY 56 2HA GLY 56 3.098 -2.574 -7.362 416 2HA GLY 56 3HA GLY 56 2.780 -3.846 -8.573 417 H THR 57 H THR 57 1.236 -4.554 -7.115 418 HA THR 57 HA THR 57 1.025 -5.440 -4.662 419 HB THR 57 HB THR 57 -0.776 -5.790 -5.986 420 HG1 THR 57 1HG THR 57 0.154 -8.451 -5.868 421 1HG2 THR 57 1HG2 THR 57 0.880 -7.358 -8.005 422 2HG2 THR 57 2HG2 THR 57 -0.890 -7.237 -8.006 423 3HG2 THR 57 3HG2 THR 57 0.075 -5.786 -8.233 424 H ALA 58 H ALA 58 2.874 -7.434 -7.032 425 HA ALA 58 HA ALA 58 3.659 -9.523 -5.389 426 1HB ALA 58 1HB ALA 58 4.177 -9.363 -7.802 427 2HB ALA 58 2HB ALA 58 5.354 -8.072 -7.472 428 3HB ALA 58 3HB ALA 58 5.631 -9.709 -6.847 429 H ALA 59 H ALA 59 5.215 -6.267 -5.525 430 HA ALA 59 HA ALA 59 7.405 -7.154 -3.726 431 1HB ALA 59 1HB ALA 59 6.832 -4.438 -5.012 432 2HB ALA 59 2HB ALA 59 8.288 -4.909 -4.113 433 3HB ALA 59 3HB ALA 59 7.935 -5.662 -5.677 434 H ILE 60 H ILE 60 4.462 -5.241 -3.996 435 HA ILE 60 HA ILE 60 4.884 -3.872 -1.619 436 HB ILE 60 HB ILE 60 2.765 -4.067 -3.680 437 1HG1 ILE 60 2HG1 ILE 60 3.743 -1.696 -2.078 438 2HG1 ILE 60 3HG1 ILE 60 4.732 -2.403 -3.362 439 1HG2 ILE 60 1HG2 ILE 60 1.174 -4.360 -2.034 440 2HG2 ILE 60 2HG2 ILE 60 2.039 -3.384 -0.840 441 3HG2 ILE 60 3HG2 ILE 60 1.241 -2.598 -2.201 442 1HD1 ILE 60 1HD1 ILE 60 3.500 -0.498 -4.218 443 2HD1 ILE 60 2HD1 ILE 60 2.951 -1.989 -5.008 444 3HD1 ILE 60 3HD1 ILE 60 1.952 -1.220 -3.755 445 H GLN 61 H GLN 61 2.757 -6.763 -2.169 446 HA GLN 61 HA GLN 61 1.805 -7.014 0.495 447 1HB GLN 61 2HB GLN 61 2.478 -9.004 -1.679 448 2HB GLN 61 3HB GLN 61 2.205 -9.552 -0.019 449 1HG GLN 61 2HG GLN 61 0.190 -9.879 -1.026 450 2HG GLN 61 3HG GLN 61 -0.034 -8.469 -0.001 451 1HE2 GLN 61 1HE2 GLN 61 0.530 -6.292 -1.419 452 2HE2 GLN 61 2HE2 GLN 61 -0.321 -6.294 -2.964 453 H GLU 62 H GLU 62 4.748 -8.377 -0.961 454 HA GLU 62 HA GLU 62 5.878 -9.591 1.186 455 1HB GLU 62 2HB GLU 62 6.638 -8.771 -1.462 456 2HB GLU 62 3HB GLU 62 7.884 -8.075 -0.449 457 1HG GLU 62 2HG GLU 62 8.429 -10.283 -1.379 458 2HG GLU 62 3HG GLU 62 8.423 -10.327 0.402 459 H LYS 63 H LYS 63 6.272 -6.100 0.422 460 HA LYS 63 HA LYS 63 7.764 -5.694 2.899 461 1HB LYS 63 2HB LYS 63 7.143 -4.154 0.482 462 2HB LYS 63 3HB LYS 63 6.853 -3.244 1.955 463 1HG LYS 63 2HG LYS 63 9.153 -2.922 1.275 464 2HG LYS 63 3HG LYS 63 9.116 -3.830 2.791 465 1HD LYS 63 2HD LYS 63 9.333 -5.986 1.404 466 2HD LYS 63 3HD LYS 63 9.553 -4.995 -0.020 467 1HE LYS 63 2HE LYS 63 11.313 -4.898 2.495 468 2HE LYS 63 3HE LYS 63 11.668 -5.898 1.080 469 1HZ LYS 63 1HZ LYS 63 11.901 -3.966 -0.236 470 2HZ LYS 63 2HZ LYS 63 11.417 -2.970 0.971 471 3HZ LYS 63 3HZ LYS 63 12.848 -3.781 1.094 472 H ILE 64 H ILE 64 4.315 -5.286 1.963 473 HA ILE 64 HA ILE 64 3.475 -3.848 4.167 474 HB ILE 64 HB ILE 64 2.101 -5.953 2.504 475 1HG1 ILE 64 2HG1 ILE 64 2.659 -3.681 1.511 476 2HG1 ILE 64 3HG1 ILE 64 0.989 -4.240 1.419 477 1HG2 ILE 64 1HG2 ILE 64 -0.010 -4.897 3.565 478 2HG2 ILE 64 2HG2 ILE 64 0.859 -6.160 4.415 479 3HG2 ILE 64 3HG2 ILE 64 1.072 -4.438 4.888 480 1HD1 ILE 64 1HD1 ILE 64 0.561 -2.787 3.532 481 2HD1 ILE 64 2HD1 ILE 64 2.153 -2.077 3.156 482 3HD1 ILE 64 3HD1 ILE 64 0.782 -1.997 2.014 483 H GLU 65 H GLU 65 3.867 -7.439 3.728 484 HA GLU 65 HA GLU 65 3.097 -8.406 6.257 485 1HB GLU 65 2HB GLU 65 5.082 -9.202 4.145 486 2HB GLU 65 3HB GLU 65 5.103 -10.053 5.700 487 1HG GLU 65 2HG GLU 65 2.490 -9.680 4.202 488 2HG GLU 65 3HG GLU 65 3.611 -10.969 3.756 489 H LYS 66 H LYS 66 6.114 -6.788 5.307 490 HA LYS 66 HA LYS 66 7.433 -7.293 7.848 491 1HB LYS 66 2HB LYS 66 8.288 -6.675 5.305 492 2HB LYS 66 3HB LYS 66 8.314 -5.090 6.043 493 1HG LYS 66 2HG LYS 66 10.515 -5.957 6.431 494 2HG LYS 66 3HG LYS 66 9.646 -6.041 7.957 495 1HD LYS 66 2HD LYS 66 10.781 -8.055 7.867 496 2HD LYS 66 3HD LYS 66 9.161 -8.537 7.415 497 1HE LYS 66 2HE LYS 66 11.498 -8.040 5.494 498 2HE LYS 66 3HE LYS 66 10.973 -9.613 6.093 499 1HZ LYS 66 1HZ LYS 66 9.406 -7.855 4.327 500 2HZ LYS 66 2HZ LYS 66 10.079 -9.296 3.953 501 3HZ LYS 66 3HZ LYS 66 8.822 -9.226 5.000 502 H LEU 67 H LEU 67 5.654 -4.576 6.324 503 HA LEU 67 HA LEU 67 5.968 -2.706 8.446 504 1HB LEU 67 2HB LEU 67 3.852 -3.213 6.335 505 2HB LEU 67 3HB LEU 67 3.532 -2.075 7.599 506 HG LEU 67 HG LEU 67 4.293 -1.030 5.605 507 1HD1 LEU 67 1HD1 LEU 67 6.508 -0.678 7.659 508 2HD1 LEU 67 2HD1 LEU 67 5.817 0.537 6.571 509 3HD1 LEU 67 3HD1 LEU 67 4.853 -0.086 7.920 510 1HD2 LEU 67 1HD2 LEU 67 5.697 -2.576 4.547 511 2HD2 LEU 67 2HD2 LEU 67 6.607 -1.092 4.804 512 3HD2 LEU 67 3HD2 LEU 67 6.922 -2.492 5.846 513 H GLY 68 H GLY 68 4.156 -5.707 8.280 514 1HA GLY 68 2HA GLY 68 3.883 -6.903 10.308 515 2HA GLY 68 3HA GLY 68 3.573 -5.408 11.195 516 H TYR 69 H TYR 69 2.118 -6.064 8.024 517 HA TYR 69 HA TYR 69 -0.600 -6.773 9.094 518 1HB TYR 69 2HB TYR 69 -0.014 -4.350 7.351 519 2HB TYR 69 3HB TYR 69 -1.560 -4.838 8.030 520 HD1 TYR 69 HD1 TYR 69 -2.062 -4.384 10.452 521 HD2 TYR 69 HD2 TYR 69 1.702 -3.267 8.715 522 HE1 TYR 69 HE1 TYR 69 -1.818 -2.615 12.140 523 HE2 TYR 69 HE2 TYR 69 2.036 -1.595 10.483 524 HH TYR 69 HH TYR 69 -0.554 -0.867 12.882 525 H HIS 70 H HIS 70 -2.033 -7.150 7.378 526 HA HIS 70 HA HIS 70 -0.581 -8.325 5.083 527 1HB HIS 70 2HB HIS 70 -1.413 -10.318 5.433 528 2HB HIS 70 3HB HIS 70 -1.473 -9.829 7.101 529 HD1 HIS 70 1HD HIS 70 -3.407 -11.546 7.676 530 HD2 HIS 70 2HD HIS 70 -4.124 -9.032 4.437 531 HE1 HIS 70 1HE HIS 70 -5.751 -12.120 6.832 532 H VAL 71 H VAL 71 -1.302 -7.535 3.255 533 HA VAL 71 HA VAL 71 -3.813 -5.910 3.206 534 HB VAL 71 HB VAL 71 -1.797 -4.766 2.455 535 1HG1 VAL 71 1HG1 VAL 71 -1.748 -6.778 0.164 536 2HG1 VAL 71 2HG1 VAL 71 -0.730 -5.343 0.314 537 3HG1 VAL 71 3HG1 VAL 71 -0.533 -6.676 1.467 538 1HG2 VAL 71 1HG2 VAL 71 -3.741 -5.215 0.194 539 2HG2 VAL 71 2HG2 VAL 71 -3.951 -4.099 1.566 540 3HG2 VAL 71 3HG2 VAL 71 -2.628 -3.850 0.429 541 H VAL 72 H VAL 72 -5.536 -6.480 1.867 542 HA VAL 72 HA VAL 72 -5.415 -9.257 0.765 543 HB VAL 72 HB VAL 72 -7.715 -9.347 0.843 544 1HG1 VAL 72 1HG1 VAL 72 -6.582 -9.341 3.083 545 2HG1 VAL 72 2HG1 VAL 72 -7.128 -7.648 3.280 546 3HG1 VAL 72 3HG1 VAL 72 -8.317 -8.956 3.103 547 1HG2 VAL 72 1HG2 VAL 72 -8.482 -7.336 -0.177 548 2HG2 VAL 72 2HG2 VAL 72 -9.176 -7.367 1.446 549 3HG2 VAL 72 3HG2 VAL 72 -7.766 -6.337 1.096 550 H ILE 73 H ILE 73 -6.470 -9.550 -1.372 551 HA ILE 73 HA ILE 73 -6.415 -7.135 -3.137 552 HB ILE 73 HB ILE 73 -5.360 -9.906 -3.829 553 1HG1 ILE 73 2HG1 ILE 73 -3.825 -8.707 -2.259 554 2HG1 ILE 73 3HG1 ILE 73 -3.163 -9.045 -3.835 555 1HG2 ILE 73 1HG2 ILE 73 -4.514 -8.716 -5.886 556 2HG2 ILE 73 2HG2 ILE 73 -6.274 -8.826 -5.808 557 3HG2 ILE 73 3HG2 ILE 73 -5.477 -7.299 -5.410 558 1HD1 ILE 73 1HD1 ILE 73 -4.332 -6.315 -3.099 559 2HD1 ILE 73 2HD1 ILE 73 -2.632 -6.753 -2.922 560 3HD1 ILE 73 3HD1 ILE 73 -3.367 -6.725 -4.529 561 H GLU 74 H GLU 74 -8.644 -7.101 -2.529 562 HA GLU 74 HA GLU 74 -10.266 -8.798 -4.337 563 1HB GLU 74 2HB GLU 74 -10.708 -8.242 -1.392 564 2HB GLU 74 3HB GLU 74 -12.098 -8.452 -2.463 565 1HG GLU 74 2HG GLU 74 -11.476 -10.655 -3.084 566 2HG GLU 74 3HG GLU 74 -9.835 -10.483 -2.440 567 H GLY 75 H GLY 75 -11.903 -7.744 -5.282 568 1HA GLY 75 2HA GLY 75 -12.829 -5.105 -4.934 569 2HA GLY 75 3HA GLY 75 -11.498 -5.071 -6.115 570 H ARG 76 H ARG 76 -11.593 -6.748 -7.840 571 HA ARG 76 HA ARG 76 -12.497 -7.907 -9.520 572 1HB ARG 76 2HB ARG 76 -13.578 -9.221 -7.631 573 2HB ARG 76 3HB ARG 76 -15.042 -8.276 -7.898 574 1HG ARG 76 2HG ARG 76 -15.662 -9.524 -9.637 575 2HG ARG 76 3HG ARG 76 -14.113 -9.347 -10.451 576 1HD ARG 76 2HD ARG 76 -14.681 -11.302 -8.190 577 2HD ARG 76 3HD ARG 76 -14.699 -11.725 -9.918 578 HE ARG 76 HE ARG 76 -12.252 -10.566 -9.643 579 1HH1 ARG 76 2HH2 ARG 76 -13.819 -13.209 -7.917 580 2HH1 ARG 76 1HH2 ARG 76 -12.349 -14.031 -7.493 581 1HH2 ARG 76 2HH1 ARG 76 -10.276 -11.653 -9.156 582 2HH2 ARG 76 1HH1 ARG 76 -10.282 -13.124 -8.240 Start of MODEL 7 1 1H MET 1 H1 MET 1 3.088 4.524 -23.081 2 2H MET 1 H2 MET 1 2.014 5.502 -23.882 3 3H MET 1 H3 MET 1 1.778 3.884 -23.646 4 HA MET 1 HA MET 1 2.402 4.109 -25.903 5 1HB MET 1 2HB MET 1 4.382 6.069 -24.756 6 2HB MET 1 3HB MET 1 4.842 5.171 -26.205 7 1HG MET 1 2HG MET 1 2.875 5.905 -27.405 8 2HG MET 1 3HG MET 1 2.303 6.821 -25.997 9 1HE MET 1 1HE MET 1 3.363 9.516 -28.692 10 2HE MET 1 2HE MET 1 2.750 7.890 -29.066 11 3HE MET 1 3HE MET 1 2.010 8.842 -27.752 12 H LEU 2 H LEU 2 4.304 3.085 -23.033 13 HA LEU 2 HA LEU 2 5.433 0.889 -24.485 14 1HB LEU 2 2HB LEU 2 6.703 3.034 -25.320 15 2HB LEU 2 3HB LEU 2 7.520 3.000 -23.770 16 HG LEU 2 HG LEU 2 7.424 0.467 -25.440 17 1HD1 LEU 2 1HD1 LEU 2 9.369 1.204 -26.755 18 2HD1 LEU 2 2HD1 LEU 2 7.944 2.197 -27.093 19 3HD1 LEU 2 3HD1 LEU 2 9.238 2.832 -26.054 20 1HD2 LEU 2 1HD2 LEU 2 9.688 0.157 -24.539 21 2HD2 LEU 2 2HD2 LEU 2 9.639 1.759 -23.779 22 3HD2 LEU 2 3HD2 LEU 2 8.561 0.468 -23.208 23 H SER 3 H SER 3 5.971 3.177 -21.769 24 HA SER 3 HA SER 3 5.613 0.975 -19.852 25 1HB SER 3 2HB SER 3 7.469 1.989 -18.459 26 2HB SER 3 3HB SER 3 8.052 1.160 -19.918 27 HG SER 3 HG SER 3 7.477 3.940 -19.840 28 H GLU 4 H GLU 4 4.091 1.724 -18.364 29 HA GLU 4 HA GLU 4 3.829 4.546 -17.788 30 1HB GLU 4 2HB GLU 4 1.306 4.356 -18.443 31 2HB GLU 4 3HB GLU 4 2.515 4.832 -19.627 32 1HG GLU 4 2HG GLU 4 2.065 1.894 -19.654 33 2HG GLU 4 3HG GLU 4 0.607 2.829 -19.920 34 H GLN 5 H GLN 5 2.767 4.875 -15.913 35 HA GLN 5 HA GLN 5 2.776 2.544 -14.162 36 1HB GLN 5 2HB GLN 5 2.940 4.148 -12.384 37 2HB GLN 5 3HB GLN 5 4.055 4.576 -13.686 38 1HG GLN 5 2HG GLN 5 2.200 6.236 -14.464 39 2HG GLN 5 3HG GLN 5 1.428 5.913 -12.905 40 1HE2 GLN 5 1HE2 GLN 5 4.194 5.582 -11.602 41 2HE2 GLN 5 2HE2 GLN 5 4.793 7.219 -11.469 42 H LYS 6 H LYS 6 1.126 2.597 -12.231 43 HA LYS 6 HA LYS 6 -1.474 3.657 -12.992 44 1HB LYS 6 2HB LYS 6 -0.861 0.730 -13.234 45 2HB LYS 6 3HB LYS 6 -2.283 1.101 -12.300 46 1HG LYS 6 2HG LYS 6 -2.635 2.736 -14.574 47 2HG LYS 6 3HG LYS 6 -1.818 1.319 -15.190 48 1HD LYS 6 2HD LYS 6 -4.157 0.849 -15.390 49 2HD LYS 6 3HD LYS 6 -3.537 -0.127 -14.068 50 1HE LYS 6 2HE LYS 6 -5.664 0.698 -13.355 51 2HE LYS 6 3HE LYS 6 -4.435 1.537 -12.429 52 1HZ LYS 6 1HZ LYS 6 -6.023 2.613 -14.671 53 2HZ LYS 6 2HZ LYS 6 -6.079 3.118 -13.114 54 3HZ LYS 6 3HZ LYS 6 -4.756 3.426 -14.009 55 H GLU 7 H GLU 7 -3.039 3.238 -11.519 56 HA GLU 7 HA GLU 7 -2.387 3.652 -8.672 57 1HB GLU 7 2HB GLU 7 -4.984 4.061 -8.737 58 2HB GLU 7 3HB GLU 7 -3.946 5.299 -9.465 59 1HG GLU 7 2HG GLU 7 -4.358 4.534 -11.695 60 2HG GLU 7 3HG GLU 7 -5.118 3.019 -11.049 61 H ILE 8 H ILE 8 -2.997 2.059 -7.166 62 HA ILE 8 HA ILE 8 -4.927 0.020 -8.055 63 HB ILE 8 HB ILE 8 -2.343 -0.720 -7.762 64 1HG1 ILE 8 2HG1 ILE 8 -3.209 -2.978 -6.880 65 2HG1 ILE 8 3HG1 ILE 8 -4.818 -2.237 -6.926 66 1HG2 ILE 8 1HG2 ILE 8 -2.042 0.165 -5.537 67 2HG2 ILE 8 2HG2 ILE 8 -3.365 -0.828 -4.908 68 3HG2 ILE 8 3HG2 ILE 8 -1.904 -1.605 -5.504 69 1HD1 ILE 8 1HD1 ILE 8 -4.392 -1.668 -9.361 70 2HD1 ILE 8 2HD1 ILE 8 -2.818 -2.466 -9.232 71 3HD1 ILE 8 3HD1 ILE 8 -4.308 -3.416 -9.045 72 H ALA 9 H ALA 9 -6.322 -0.605 -6.313 73 HA ALA 9 HA ALA 9 -6.156 0.935 -3.818 74 1HB ALA 9 1HB ALA 9 -7.593 2.318 -5.291 75 2HB ALA 9 2HB ALA 9 -8.630 0.910 -5.595 76 3HB ALA 9 3HB ALA 9 -8.518 1.600 -3.960 77 H MET 10 H MET 10 -6.578 -0.392 -2.113 78 HA MET 10 HA MET 10 -8.377 -2.711 -2.437 79 1HB MET 10 2HB MET 10 -6.621 -4.320 -1.869 80 2HB MET 10 3HB MET 10 -6.269 -3.523 -3.403 81 1HG MET 10 2HG MET 10 -5.096 -1.921 -1.284 82 2HG MET 10 3HG MET 10 -4.707 -3.600 -1.007 83 1HE MET 10 1HE MET 10 -3.001 -0.720 -1.855 84 2HE MET 10 2HE MET 10 -2.271 -2.152 -1.096 85 3HE MET 10 3HE MET 10 -1.624 -1.529 -2.628 86 H GLN 11 H GLN 11 -8.014 -4.175 -0.216 87 HA GLN 11 HA GLN 11 -8.595 -2.125 1.855 88 1HB GLN 11 2HB GLN 11 -9.288 -4.973 2.345 89 2HB GLN 11 3HB GLN 11 -9.959 -3.486 2.976 90 1HG GLN 11 2HG GLN 11 -11.668 -4.143 1.637 91 2HG GLN 11 3HG GLN 11 -10.795 -3.181 0.440 92 1HE2 GLN 11 1HE2 GLN 11 -9.667 -4.374 -1.252 93 2HE2 GLN 11 2HE2 GLN 11 -9.741 -6.105 -1.397 94 H VAL 12 H VAL 12 -7.726 -2.516 4.011 95 HA VAL 12 HA VAL 12 -5.269 -4.218 4.030 96 HB VAL 12 HB VAL 12 -5.514 -1.788 5.802 97 1HG1 VAL 12 1HG1 VAL 12 -3.718 -3.447 6.279 98 2HG1 VAL 12 2HG1 VAL 12 -3.165 -3.305 4.589 99 3HG1 VAL 12 3HG1 VAL 12 -3.044 -1.922 5.689 100 1HG2 VAL 12 1HG2 VAL 12 -5.739 -0.817 3.580 101 2HG2 VAL 12 2HG2 VAL 12 -4.083 -0.568 4.154 102 3HG2 VAL 12 3HG2 VAL 12 -4.423 -1.865 2.971 103 H SER 13 H SER 13 -4.870 -5.299 6.049 104 HA SER 13 HA SER 13 -7.163 -5.324 7.950 105 1HB SER 13 2HB SER 13 -6.897 -7.305 6.278 106 2HB SER 13 3HB SER 13 -5.476 -7.729 7.194 107 HG SER 13 HG SER 13 -8.150 -7.514 8.134 108 H GLY 14 H GLY 14 -6.544 -4.797 9.946 109 1HA GLY 14 2HA GLY 14 -5.195 -5.379 11.856 110 2HA GLY 14 3HA GLY 14 -3.734 -5.266 10.883 111 H MET 15 H MET 15 -5.186 -2.729 9.643 112 HA MET 15 HA MET 15 -3.760 -0.750 10.972 113 1HB MET 15 2HB MET 15 -5.149 0.861 9.806 114 2HB MET 15 3HB MET 15 -4.654 -0.446 8.723 115 1HG MET 15 2HG MET 15 -7.374 -0.412 10.096 116 2HG MET 15 3HG MET 15 -7.088 0.411 8.581 117 1HE MET 15 1HE MET 15 -9.149 -2.146 9.557 118 2HE MET 15 2HE MET 15 -9.361 -1.033 8.189 119 3HE MET 15 3HE MET 15 -9.341 -2.794 7.912 120 H THR 16 H THR 16 -4.180 0.781 12.563 121 HA THR 16 HA THR 16 -6.696 0.533 14.164 122 HB THR 16 HB THR 16 -5.103 1.203 16.062 123 HG1 THR 16 1HG THR 16 -3.327 1.887 14.882 124 1HG2 THR 16 1HG2 THR 16 -4.266 -1.065 16.381 125 2HG2 THR 16 2HG2 THR 16 -5.921 -1.125 15.743 126 3HG2 THR 16 3HG2 THR 16 -4.541 -1.454 14.675 127 H CYS 17 H CYS 17 -6.152 2.286 11.854 128 HA CYS 17 HA CYS 17 -6.173 4.425 11.205 129 1HB CYS 17 2HB CYS 17 -8.470 4.082 12.203 130 2HB CYS 17 3HB CYS 17 -7.920 5.011 13.614 131 HG CYS 17 HG CYS 17 -9.347 6.512 11.977 132 H ALA 18 H ALA 18 -6.438 6.700 13.502 133 HA ALA 18 HA ALA 18 -4.886 8.303 14.009 134 1HB ALA 18 1HB ALA 18 -3.623 7.617 15.996 135 2HB ALA 18 2HB ALA 18 -5.269 6.956 16.023 136 3HB ALA 18 3HB ALA 18 -3.901 5.905 15.600 137 H ALA 19 H ALA 19 -4.120 7.815 11.589 138 HA ALA 19 HA ALA 19 -2.447 7.881 10.072 139 1HB ALA 19 1HB ALA 19 -0.461 9.139 10.701 140 2HB ALA 19 2HB ALA 19 -1.885 9.844 11.486 141 3HB ALA 19 3HB ALA 19 -0.761 8.833 12.421 142 H CYS 20 H CYS 20 -2.679 5.295 11.677 143 HA CYS 20 HA CYS 20 0.022 4.229 11.882 144 1HB CYS 20 2HB CYS 20 -2.700 2.867 12.045 145 2HB CYS 20 3HB CYS 20 -1.153 2.041 12.240 146 HG CYS 20 HG CYS 20 -2.186 4.691 13.908 147 H ALA 21 H ALA 21 -2.756 3.412 9.765 148 HA ALA 21 HA ALA 21 -1.305 1.819 7.973 149 1HB ALA 21 1HB ALA 21 -3.223 2.180 6.429 150 2HB ALA 21 2HB ALA 21 -3.727 1.773 8.082 151 3HB ALA 21 3HB ALA 21 -3.790 3.458 7.531 152 H ALA 22 H ALA 22 -1.654 5.307 8.103 153 HA ALA 22 HA ALA 22 -0.553 6.014 5.599 154 1HB ALA 22 1HB ALA 22 0.158 8.081 6.793 155 2HB ALA 22 2HB ALA 22 -1.518 7.625 7.189 156 3HB ALA 22 3HB ALA 22 -0.223 7.296 8.346 157 H ARG 23 H ARG 23 1.078 4.900 8.629 158 HA ARG 23 HA ARG 23 3.763 5.305 7.635 159 1HB ARG 23 2HB ARG 23 2.854 3.302 9.732 160 2HB ARG 23 3HB ARG 23 4.491 3.873 9.387 161 1HG ARG 23 2HG ARG 23 3.778 6.203 10.028 162 2HG ARG 23 3HG ARG 23 2.188 5.553 10.439 163 1HD ARG 23 2HD ARG 23 3.405 5.778 12.460 164 2HD ARG 23 3HD ARG 23 3.214 4.067 12.160 165 HE ARG 23 HE ARG 23 5.661 5.752 12.048 166 1HH1 ARG 23 2HH2 ARG 23 4.355 2.513 11.500 167 2HH1 ARG 23 1HH2 ARG 23 5.888 1.706 11.593 168 1HH2 ARG 23 2HH1 ARG 23 7.707 4.721 12.146 169 2HH2 ARG 23 1HH1 ARG 23 7.842 3.006 11.938 170 H ILE 24 H ILE 24 1.469 2.553 7.652 171 HA ILE 24 HA ILE 24 3.148 0.560 6.601 172 HB ILE 24 HB ILE 24 0.203 0.974 5.909 173 1HG1 ILE 24 2HG1 ILE 24 1.425 -0.735 8.094 174 2HG1 ILE 24 3HG1 ILE 24 0.637 0.811 8.383 175 1HG2 ILE 24 1HG2 ILE 24 1.341 -0.562 4.371 176 2HG2 ILE 24 2HG2 ILE 24 1.884 -1.542 5.751 177 3HG2 ILE 24 3HG2 ILE 24 0.159 -1.386 5.363 178 1HD1 ILE 24 1HD1 ILE 24 -1.439 -0.199 7.149 179 2HD1 ILE 24 2HD1 ILE 24 -0.652 -1.753 7.399 180 3HD1 ILE 24 3HD1 ILE 24 -1.083 -0.745 8.794 181 H GLU 25 H GLU 25 0.943 2.770 4.818 182 HA GLU 25 HA GLU 25 1.946 1.826 2.351 183 1HB GLU 25 2HB GLU 25 -0.288 3.246 3.116 184 2HB GLU 25 3HB GLU 25 0.659 4.511 2.350 185 1HG GLU 25 2HG GLU 25 -0.675 3.495 0.595 186 2HG GLU 25 3HG GLU 25 0.977 2.930 0.343 187 H LYS 26 H LYS 26 2.811 4.714 4.341 188 HA LYS 26 HA LYS 26 4.551 5.938 2.490 189 1HB LYS 26 2HB LYS 26 4.407 5.767 5.503 190 2HB LYS 26 3HB LYS 26 5.765 6.546 4.747 191 1HG LYS 26 2HG LYS 26 2.922 7.343 4.020 192 2HG LYS 26 3HG LYS 26 3.768 8.011 5.426 193 1HD LYS 26 2HD LYS 26 5.663 8.734 3.901 194 2HD LYS 26 3HD LYS 26 4.752 8.122 2.524 195 1HE LYS 26 2HE LYS 26 4.436 10.496 2.594 196 2HE LYS 26 3HE LYS 26 2.900 9.731 3.022 197 1HZ LYS 26 1HZ LYS 26 4.843 10.876 4.932 198 2HZ LYS 26 2HZ LYS 26 3.444 11.586 4.448 199 3HZ LYS 26 3HZ LYS 26 3.393 10.203 5.331 200 H GLY 27 H GLY 27 5.025 3.108 4.617 201 1HA GLY 27 2HA GLY 27 7.755 2.572 4.084 202 2HA GLY 27 3HA GLY 27 6.493 1.360 4.341 203 H LEU 28 H LEU 28 4.779 1.801 2.117 204 HA LEU 28 HA LEU 28 6.344 0.598 -0.006 205 1HB LEU 28 2HB LEU 28 3.519 1.673 -0.014 206 2HB LEU 28 3HB LEU 28 4.279 0.751 -1.309 207 HG LEU 28 HG LEU 28 3.932 -0.336 1.509 208 1HD1 LEU 28 1HD1 LEU 28 1.809 -0.136 0.732 209 2HD1 LEU 28 2HD1 LEU 28 2.219 -0.351 -0.968 210 3HD1 LEU 28 3HD1 LEU 28 2.235 -1.749 0.122 211 1HD2 LEU 28 1HD2 LEU 28 4.418 -2.521 0.266 212 2HD2 LEU 28 2HD2 LEU 28 5.167 -1.506 -0.992 213 3HD2 LEU 28 3HD2 LEU 28 5.767 -1.460 0.659 214 H LYS 29 H LYS 29 5.319 3.937 0.684 215 HA LYS 29 HA LYS 29 6.131 4.948 -1.851 216 1HB LYS 29 2HB LYS 29 4.869 6.363 -0.574 217 2HB LYS 29 3HB LYS 29 5.960 6.373 0.788 218 1HG LYS 29 2HG LYS 29 7.670 7.580 -0.367 219 2HG LYS 29 3HG LYS 29 6.912 7.314 -1.940 220 1HD LYS 29 2HD LYS 29 5.780 9.075 0.257 221 2HD LYS 29 3HD LYS 29 6.676 9.616 -1.172 222 1HE LYS 29 2HE LYS 29 4.602 7.880 -2.131 223 2HE LYS 29 3HE LYS 29 3.849 8.895 -0.904 224 1HZ LYS 29 1HZ LYS 29 4.899 9.615 -3.511 225 2HZ LYS 29 2HZ LYS 29 3.583 10.124 -2.678 226 3HZ LYS 29 3HZ LYS 29 5.040 10.768 -2.301 227 H ARG 30 H ARG 30 8.081 3.477 0.620 228 HA ARG 30 HA ARG 30 10.570 4.523 -0.643 229 1HB ARG 30 2HB ARG 30 9.871 3.184 1.940 230 2HB ARG 30 3HB ARG 30 11.469 2.876 1.278 231 1HG ARG 30 2HG ARG 30 12.002 5.210 1.183 232 2HG ARG 30 3HG ARG 30 10.314 5.681 1.473 233 1HD ARG 30 2HD ARG 30 10.378 4.791 3.719 234 2HD ARG 30 3HD ARG 30 12.061 4.235 3.501 235 HE ARG 30 HE ARG 30 12.227 6.881 2.863 236 1HH1 ARG 30 2HH2 ARG 30 11.033 5.182 5.704 237 2HH1 ARG 30 1HH2 ARG 30 11.303 6.493 6.813 238 1HH2 ARG 30 2HH1 ARG 30 12.628 8.643 4.295 239 2HH2 ARG 30 1HH1 ARG 30 12.259 8.509 5.980 240 H MET 31 H MET 31 8.431 2.194 -1.684 241 HA MET 31 HA MET 31 10.533 0.308 -2.478 242 1HB MET 31 2HB MET 31 7.577 0.417 -3.050 243 2HB MET 31 3HB MET 31 8.667 -0.772 -3.763 244 1HG MET 31 2HG MET 31 8.315 -0.418 -0.755 245 2HG MET 31 3HG MET 31 7.485 -1.591 -1.777 246 1HE MET 31 1HE MET 31 11.613 -2.139 0.014 247 2HE MET 31 2HE MET 31 11.360 -0.581 -0.765 248 3HE MET 31 3HE MET 31 10.309 -1.069 0.577 249 HA PRO 32 HA PRO 32 11.789 2.660 -5.883 250 1HB PRO 32 2HB PRO 32 13.290 0.909 -7.294 251 2HB PRO 32 3HB PRO 32 13.732 1.421 -5.641 252 1HG PRO 32 2HG PRO 32 12.215 -1.094 -6.425 253 2HG PRO 32 3HG PRO 32 13.674 -0.983 -5.397 254 1HD PRO 32 2HD PRO 32 11.204 -1.072 -4.293 255 2HD PRO 32 3HD PRO 32 12.453 0.027 -3.630 256 H GLY 33 H GLY 33 9.641 3.005 -6.718 257 1HA GLY 33 2HA GLY 33 9.169 2.843 -9.393 258 2HA GLY 33 3HA GLY 33 8.602 1.286 -8.907 259 H VAL 34 H VAL 34 7.821 2.649 -6.140 260 HA VAL 34 HA VAL 34 5.124 3.362 -6.673 261 HB VAL 34 HB VAL 34 6.228 2.605 -4.542 262 1HG1 VAL 34 1HG1 VAL 34 7.585 3.977 -3.311 263 2HG1 VAL 34 2HG1 VAL 34 8.070 4.523 -4.895 264 3HG1 VAL 34 3HG1 VAL 34 6.918 5.493 -3.979 265 1HG2 VAL 34 1HG2 VAL 34 4.699 3.766 -3.106 266 2HG2 VAL 34 2HG2 VAL 34 4.554 5.129 -4.233 267 3HG2 VAL 34 3HG2 VAL 34 3.914 3.530 -4.663 268 H THR 35 H THR 35 4.109 5.385 -6.682 269 HA THR 35 HA THR 35 5.826 7.802 -7.101 270 HB THR 35 HB THR 35 3.131 8.245 -8.026 271 HG1 THR 35 1HG THR 35 4.384 5.923 -9.053 272 1HG2 THR 35 1HG2 THR 35 5.736 7.933 -9.574 273 2HG2 THR 35 2HG2 THR 35 4.247 8.748 -10.125 274 3HG2 THR 35 3HG2 THR 35 5.177 9.420 -8.779 275 H ASP 36 H ASP 36 2.545 6.773 -5.936 276 HA ASP 36 HA ASP 36 3.026 8.263 -3.549 277 1HB ASP 36 2HB ASP 36 2.303 10.108 -5.173 278 2HB ASP 36 3HB ASP 36 0.723 9.307 -5.241 279 H ALA 37 H ALA 37 1.548 8.200 -1.896 280 HA ALA 37 HA ALA 37 -0.095 5.680 -1.933 281 1HB ALA 37 1HB ALA 37 2.129 5.214 -1.019 282 2HB ALA 37 2HB ALA 37 2.017 6.627 0.057 283 3HB ALA 37 3HB ALA 37 0.928 5.255 0.285 284 H ASN 38 H ASN 38 -2.171 6.097 -1.198 285 HA ASN 38 HA ASN 38 -2.637 8.427 0.612 286 1HB ASN 38 2HB ASN 38 -3.923 7.894 -2.090 287 2HB ASN 38 3HB ASN 38 -4.705 8.843 -0.821 288 1HD2 ASN 38 1HD2 ASN 38 -1.659 8.656 -2.701 289 2HD2 ASN 38 2HD2 ASN 38 -1.290 10.359 -2.686 290 H VAL 39 H VAL 39 -3.446 7.499 2.369 291 HA VAL 39 HA VAL 39 -4.921 4.983 2.208 292 HB VAL 39 HB VAL 39 -3.131 5.531 3.894 293 1HG1 VAL 39 1HG1 VAL 39 -3.713 6.735 5.898 294 2HG1 VAL 39 2HG1 VAL 39 -3.944 7.823 4.519 295 3HG1 VAL 39 3HG1 VAL 39 -5.349 7.070 5.308 296 1HG2 VAL 39 1HG2 VAL 39 -4.417 3.578 4.183 297 2HG2 VAL 39 2HG2 VAL 39 -4.443 4.420 5.738 298 3HG2 VAL 39 3HG2 VAL 39 -5.860 4.484 4.676 299 H ASN 40 H ASN 40 -7.042 4.621 2.586 300 HA ASN 40 HA ASN 40 -8.838 6.905 3.087 301 1HB ASN 40 2HB ASN 40 -8.781 6.163 0.657 302 2HB ASN 40 3HB ASN 40 -9.424 4.601 1.171 303 1HD2 ASN 40 1HD2 ASN 40 -11.325 5.182 -0.232 304 2HD2 ASN 40 2HD2 ASN 40 -12.582 6.146 0.521 305 H LEU 41 H LEU 41 -8.229 5.880 5.278 306 HA LEU 41 HA LEU 41 -9.395 3.358 5.970 307 1HB LEU 41 2HB LEU 41 -8.735 5.723 7.762 308 2HB LEU 41 3HB LEU 41 -9.127 4.083 8.291 309 HG LEU 41 HG LEU 41 -6.695 4.999 6.722 310 1HD1 LEU 41 1HD1 LEU 41 -7.086 3.579 9.380 311 2HD1 LEU 41 2HD1 LEU 41 -5.521 4.076 8.717 312 3HD1 LEU 41 3HD1 LEU 41 -6.706 5.315 9.160 313 1HD2 LEU 41 1HD2 LEU 41 -7.677 2.166 7.303 314 2HD2 LEU 41 2HD2 LEU 41 -7.229 2.833 5.720 315 3HD2 LEU 41 3HD2 LEU 41 -5.981 2.529 6.932 316 H ALA 42 H ALA 42 -10.904 6.356 5.353 317 HA ALA 42 HA ALA 42 -13.302 6.104 6.896 318 1HB ALA 42 1HB ALA 42 -12.688 8.119 5.549 319 2HB ALA 42 2HB ALA 42 -12.932 7.170 4.064 320 3HB ALA 42 3HB ALA 42 -14.299 7.490 5.142 321 H THR 43 H THR 43 -11.961 4.298 4.207 322 HA THR 43 HA THR 43 -14.397 2.588 4.074 323 HB THR 43 HB THR 43 -12.453 3.309 1.833 324 HG1 THR 43 1HG THR 43 -14.822 4.540 2.712 325 1HG2 THR 43 1HG2 THR 43 -14.401 2.678 0.389 326 2HG2 THR 43 2HG2 THR 43 -13.719 1.309 1.275 327 3HG2 THR 43 3HG2 THR 43 -15.231 2.063 1.839 328 H GLU 44 H GLU 44 -11.717 2.488 5.718 329 HA GLU 44 HA GLU 44 -9.955 1.095 6.116 330 1HB GLU 44 2HB GLU 44 -12.101 -0.948 5.398 331 2HB GLU 44 3HB GLU 44 -10.632 -1.272 6.307 332 1HG GLU 44 2HG GLU 44 -11.385 0.544 7.965 333 2HG GLU 44 3HG GLU 44 -12.948 0.530 7.132 334 H THR 45 H THR 45 -9.696 2.173 3.513 335 HA THR 45 HA THR 45 -8.560 -0.062 1.929 336 HB THR 45 HB THR 45 -10.517 2.106 1.067 337 HG1 THR 45 1HG THR 45 -11.408 0.172 1.946 338 1HG2 THR 45 1HG2 THR 45 -8.794 1.768 -0.759 339 2HG2 THR 45 2HG2 THR 45 -9.281 0.052 -0.798 340 3HG2 THR 45 3HG2 THR 45 -10.447 1.307 -1.191 341 H VAL 46 H VAL 46 -6.825 0.574 0.579 342 HA VAL 46 HA VAL 46 -5.929 3.400 0.884 343 HB VAL 46 HB VAL 46 -4.745 2.079 2.488 344 1HG1 VAL 46 1HG1 VAL 46 -3.705 0.361 0.173 345 2HG1 VAL 46 2HG1 VAL 46 -3.235 0.223 1.871 346 3HG1 VAL 46 3HG1 VAL 46 -4.887 -0.184 1.369 347 1HG2 VAL 46 1HG2 VAL 46 -2.801 2.548 0.194 348 2HG2 VAL 46 2HG2 VAL 46 -3.511 3.885 1.088 349 3HG2 VAL 46 3HG2 VAL 46 -2.524 2.708 1.951 350 H ASN 47 H ASN 47 -4.810 4.247 -0.872 351 HA ASN 47 HA ASN 47 -4.917 2.603 -3.329 352 1HB ASN 47 2HB ASN 47 -6.605 4.417 -3.379 353 2HB ASN 47 3HB ASN 47 -5.342 5.610 -3.049 354 1HD2 ASN 47 1HD2 ASN 47 -3.560 5.846 -4.793 355 2HD2 ASN 47 2HD2 ASN 47 -4.055 5.494 -6.433 356 H VAL 48 H VAL 48 -2.985 2.593 -4.506 357 HA VAL 48 HA VAL 48 -0.959 4.580 -3.830 358 HB VAL 48 HB VAL 48 -0.458 2.881 -2.185 359 1HG1 VAL 48 1HG1 VAL 48 0.242 0.616 -2.777 360 2HG1 VAL 48 2HG1 VAL 48 -1.434 0.898 -3.268 361 3HG1 VAL 48 3HG1 VAL 48 -0.132 0.924 -4.484 362 1HG2 VAL 48 1HG2 VAL 48 1.880 2.426 -2.727 363 2HG2 VAL 48 2HG2 VAL 48 1.593 2.809 -4.435 364 3HG2 VAL 48 3HG2 VAL 48 1.448 4.073 -3.196 365 H ILE 49 H ILE 49 0.393 5.031 -5.477 366 HA ILE 49 HA ILE 49 -0.324 3.898 -8.122 367 HB ILE 49 HB ILE 49 0.971 6.571 -7.484 368 1HG1 ILE 49 2HG1 ILE 49 -1.968 5.989 -8.068 369 2HG1 ILE 49 3HG1 ILE 49 -1.307 6.533 -6.517 370 1HG2 ILE 49 1HG2 ILE 49 1.311 5.542 -9.802 371 2HG2 ILE 49 2HG2 ILE 49 -0.442 5.644 -10.023 372 3HG2 ILE 49 3HG2 ILE 49 0.530 7.114 -9.802 373 1HD1 ILE 49 1HD1 ILE 49 -2.255 8.429 -7.607 374 2HD1 ILE 49 2HD1 ILE 49 -0.492 8.620 -7.610 375 3HD1 ILE 49 3HD1 ILE 49 -1.347 8.136 -9.094 376 H TYR 50 H TYR 50 1.292 2.891 -9.277 377 HA TYR 50 HA TYR 50 4.083 3.328 -8.614 378 1HB TYR 50 2HB TYR 50 4.425 0.798 -8.307 379 2HB TYR 50 3HB TYR 50 3.746 1.660 -6.949 380 HD1 TYR 50 HD1 TYR 50 2.638 -0.329 -9.994 381 HD2 TYR 50 HD2 TYR 50 1.838 0.785 -5.906 382 HE1 TYR 50 HE1 TYR 50 0.996 -2.155 -9.819 383 HE2 TYR 50 HE2 TYR 50 0.278 -1.110 -5.707 384 HH TYR 50 HH TYR 50 -0.736 -2.892 -6.809 385 H ASP 51 H ASP 51 5.537 2.107 -10.039 386 HA ASP 51 HA ASP 51 4.437 1.931 -12.754 387 1HB ASP 51 2HB ASP 51 6.460 3.253 -12.181 388 2HB ASP 51 3HB ASP 51 7.298 1.764 -11.756 389 HA PRO 52 HA PRO 52 4.438 -2.599 -11.830 390 1HB PRO 52 2HB PRO 52 2.940 -3.486 -13.876 391 2HB PRO 52 3HB PRO 52 2.242 -2.532 -12.536 392 1HG PRO 52 2HG PRO 52 3.135 -1.513 -15.248 393 2HG PRO 52 3HG PRO 52 1.565 -1.229 -14.441 394 1HD PRO 52 2HD PRO 52 3.669 0.518 -14.331 395 2HD PRO 52 3HD PRO 52 2.526 0.334 -12.953 396 H ALA 53 H ALA 53 6.520 -0.962 -13.649 397 HA ALA 53 HA ALA 53 7.472 -3.261 -15.300 398 1HB ALA 53 1HB ALA 53 8.743 -0.533 -14.802 399 2HB ALA 53 2HB ALA 53 9.258 -1.760 -15.969 400 3HB ALA 53 3HB ALA 53 7.696 -0.941 -16.176 401 H GLU 54 H GLU 54 8.457 -1.177 -12.623 402 HA GLU 54 HA GLU 54 10.494 -3.054 -11.587 403 1HB GLU 54 2HB GLU 54 9.489 -0.254 -10.850 404 2HB GLU 54 3HB GLU 54 10.692 -1.107 -9.912 405 1HG GLU 54 2HG GLU 54 10.970 -0.405 -12.880 406 2HG GLU 54 3HG GLU 54 11.685 0.497 -11.536 407 H THR 55 H THR 55 7.444 -1.534 -10.658 408 HA THR 55 HA THR 55 7.321 -3.049 -8.133 409 HB THR 55 HB THR 55 6.678 -0.229 -8.762 410 HG1 THR 55 1HG THR 55 8.919 -1.665 -7.933 411 1HG2 THR 55 1HG2 THR 55 6.764 -0.009 -6.286 412 2HG2 THR 55 2HG2 THR 55 5.405 -0.974 -6.889 413 3HG2 THR 55 3HG2 THR 55 6.819 -1.804 -6.152 414 H GLY 56 H GLY 56 5.554 -4.111 -7.563 415 1HA GLY 56 2HA GLY 56 3.170 -2.674 -7.590 416 2HA GLY 56 3HA GLY 56 2.989 -4.021 -8.749 417 H THR 57 H THR 57 1.401 -4.629 -7.256 418 HA THR 57 HA THR 57 1.246 -5.302 -4.689 419 HB THR 57 HB THR 57 -0.546 -5.488 -6.153 420 HG1 THR 57 1HG THR 57 -0.117 -8.063 -5.074 421 1HG2 THR 57 1HG2 THR 57 0.814 -7.846 -7.509 422 2HG2 THR 57 2HG2 THR 57 -0.890 -7.395 -7.693 423 3HG2 THR 57 3HG2 THR 57 0.368 -6.278 -8.222 424 H ALA 58 H ALA 58 3.035 -7.329 -7.052 425 HA ALA 58 HA ALA 58 3.703 -9.511 -5.446 426 1HB ALA 58 1HB ALA 58 5.427 -8.030 -7.483 427 2HB ALA 58 2HB ALA 58 5.727 -9.669 -6.872 428 3HB ALA 58 3HB ALA 58 4.271 -9.334 -7.828 429 H ALA 59 H ALA 59 5.357 -6.323 -5.566 430 HA ALA 59 HA ALA 59 7.426 -7.181 -3.616 431 1HB ALA 59 1HB ALA 59 8.279 -4.886 -3.937 432 2HB ALA 59 2HB ALA 59 8.114 -5.720 -5.494 433 3HB ALA 59 3HB ALA 59 6.912 -4.506 -5.003 434 H ILE 60 H ILE 60 4.520 -5.272 -4.040 435 HA ILE 60 HA ILE 60 4.745 -3.807 -1.656 436 HB ILE 60 HB ILE 60 2.852 -4.127 -3.876 437 1HG1 ILE 60 2HG1 ILE 60 3.393 -1.802 -2.096 438 2HG1 ILE 60 3HG1 ILE 60 4.573 -2.325 -3.312 439 1HG2 ILE 60 1HG2 ILE 60 1.165 -4.710 -2.271 440 2HG2 ILE 60 2HG2 ILE 60 1.668 -3.419 -1.170 441 3HG2 ILE 60 3HG2 ILE 60 0.921 -3.034 -2.731 442 1HD1 ILE 60 1HD1 ILE 60 1.765 -1.319 -3.884 443 2HD1 ILE 60 2HD1 ILE 60 3.301 -0.510 -4.232 444 3HD1 ILE 60 3HD1 ILE 60 2.883 -2.004 -5.094 445 H GLN 61 H GLN 61 2.723 -6.745 -2.266 446 HA GLN 61 HA GLN 61 1.726 -7.114 0.342 447 1HB GLN 61 2HB GLN 61 2.520 -8.940 -1.911 448 2HB GLN 61 3HB GLN 61 2.409 -9.634 -0.288 449 1HG GLN 61 2HG GLN 61 0.369 -10.113 -1.087 450 2HG GLN 61 3HG GLN 61 0.070 -8.677 -0.111 451 1HE2 GLN 61 1HE2 GLN 61 0.459 -6.539 -1.636 452 2HE2 GLN 61 2HE2 GLN 61 -0.378 -6.669 -3.187 453 H GLU 62 H GLU 62 4.819 -8.300 -1.015 454 HA GLU 62 HA GLU 62 5.870 -9.514 1.210 455 1HB GLU 62 2HB GLU 62 6.811 -8.772 -1.338 456 2HB GLU 62 3HB GLU 62 7.845 -7.800 -0.299 457 1HG GLU 62 2HG GLU 62 7.466 -10.818 -0.247 458 2HG GLU 62 3HG GLU 62 8.871 -9.925 -0.853 459 H LYS 63 H LYS 63 6.125 -6.008 0.433 460 HA LYS 63 HA LYS 63 7.535 -5.549 2.919 461 1HB LYS 63 2HB LYS 63 6.860 -4.025 0.503 462 2HB LYS 63 3HB LYS 63 6.558 -3.133 1.984 463 1HG LYS 63 2HG LYS 63 8.855 -2.785 1.264 464 2HG LYS 63 3HG LYS 63 8.842 -3.646 2.803 465 1HD LYS 63 2HD LYS 63 8.760 -5.561 0.576 466 2HD LYS 63 3HD LYS 63 10.066 -4.449 0.286 467 1HE LYS 63 2HE LYS 63 9.717 -6.035 2.882 468 2HE LYS 63 3HE LYS 63 10.684 -6.559 1.509 469 1HZ LYS 63 1HZ LYS 63 12.054 -4.627 1.762 470 2HZ LYS 63 2HZ LYS 63 11.153 -4.079 3.027 471 3HZ LYS 63 3HZ LYS 63 12.016 -5.473 3.166 472 H ILE 64 H ILE 64 4.083 -5.170 1.902 473 HA ILE 64 HA ILE 64 3.177 -3.849 4.148 474 HB ILE 64 HB ILE 64 1.807 -5.956 2.434 475 1HG1 ILE 64 2HG1 ILE 64 2.375 -3.840 1.246 476 2HG1 ILE 64 3HG1 ILE 64 0.680 -4.311 1.306 477 1HG2 ILE 64 1HG2 ILE 64 0.612 -5.972 4.486 478 2HG2 ILE 64 2HG2 ILE 64 0.881 -4.224 4.748 479 3HG2 ILE 64 3HG2 ILE 64 -0.265 -4.779 3.532 480 1HD1 ILE 64 1HD1 ILE 64 0.718 -2.017 1.634 481 2HD1 ILE 64 2HD1 ILE 64 0.435 -2.638 3.238 482 3HD1 ILE 64 3HD1 ILE 64 2.082 -2.104 2.788 483 H GLU 65 H GLU 65 3.622 -7.411 3.586 484 HA GLU 65 HA GLU 65 2.807 -8.460 6.083 485 1HB GLU 65 2HB GLU 65 4.869 -9.230 4.017 486 2HB GLU 65 3HB GLU 65 4.634 -10.189 5.486 487 1HG GLU 65 2HG GLU 65 2.199 -9.516 3.840 488 2HG GLU 65 3HG GLU 65 3.338 -10.723 3.226 489 H LYS 66 H LYS 66 5.885 -6.954 5.081 490 HA LYS 66 HA LYS 66 7.236 -7.667 7.529 491 1HB LYS 66 2HB LYS 66 8.032 -6.876 4.974 492 2HB LYS 66 3HB LYS 66 8.281 -5.416 5.900 493 1HG LYS 66 2HG LYS 66 10.263 -6.279 6.543 494 2HG LYS 66 3HG LYS 66 9.386 -7.378 7.580 495 1HD LYS 66 2HD LYS 66 10.520 -7.891 4.800 496 2HD LYS 66 3HD LYS 66 10.916 -8.658 6.328 497 1HE LYS 66 2HE LYS 66 9.703 -10.343 5.453 498 2HE LYS 66 3HE LYS 66 8.353 -9.497 6.214 499 1HZ LYS 66 1HZ LYS 66 9.145 -9.046 3.367 500 2HZ LYS 66 2HZ LYS 66 8.202 -10.231 3.722 501 3HZ LYS 66 3HZ LYS 66 7.703 -8.701 4.032 502 H LEU 67 H LEU 67 5.577 -4.757 6.266 503 HA LEU 67 HA LEU 67 6.074 -2.993 8.427 504 1HB LEU 67 2HB LEU 67 3.927 -3.345 6.316 505 2HB LEU 67 3HB LEU 67 3.625 -2.247 7.625 506 HG LEU 67 HG LEU 67 4.389 -1.109 5.711 507 1HD1 LEU 67 1HD1 LEU 67 5.048 -0.317 8.038 508 2HD1 LEU 67 2HD1 LEU 67 6.671 -0.976 7.710 509 3HD1 LEU 67 3HD1 LEU 67 6.021 0.330 6.701 510 1HD2 LEU 67 1HD2 LEU 67 6.925 -2.734 5.742 511 2HD2 LEU 67 2HD2 LEU 67 5.693 -2.544 4.459 512 3HD2 LEU 67 3HD2 LEU 67 6.728 -1.192 4.887 513 H GLY 68 H GLY 68 4.188 -5.942 8.262 514 1HA GLY 68 2HA GLY 68 3.679 -7.128 10.195 515 2HA GLY 68 3HA GLY 68 3.571 -5.641 11.144 516 H TYR 69 H TYR 69 2.037 -6.082 7.940 517 HA TYR 69 HA TYR 69 -0.650 -6.521 9.174 518 1HB TYR 69 2HB TYR 69 0.037 -4.272 7.211 519 2HB TYR 69 3HB TYR 69 -1.564 -4.639 7.840 520 HD1 TYR 69 HD1 TYR 69 1.790 -3.321 8.711 521 HD2 TYR 69 HD2 TYR 69 -2.311 -3.710 9.904 522 HE1 TYR 69 HE1 TYR 69 2.197 -1.748 10.562 523 HE2 TYR 69 HE2 TYR 69 -1.948 -2.058 11.712 524 HH TYR 69 HH TYR 69 -0.388 -0.797 12.861 525 H HIS 70 H HIS 70 -2.271 -6.644 7.270 526 HA HIS 70 HA HIS 70 -1.036 -8.236 5.113 527 1HB HIS 70 2HB HIS 70 -2.933 -9.839 5.469 528 2HB HIS 70 3HB HIS 70 -1.502 -9.916 6.498 529 HD1 HIS 70 1HD HIS 70 -3.226 -7.487 8.484 530 HD2 HIS 70 2HD HIS 70 -3.708 -11.522 7.485 531 HE1 HIS 70 1HE HIS 70 -4.508 -8.540 10.387 532 H VAL 71 H VAL 71 -1.606 -7.422 3.332 533 HA VAL 71 HA VAL 71 -3.928 -5.632 3.083 534 HB VAL 71 HB VAL 71 -1.739 -5.031 2.081 535 1HG1 VAL 71 1HG1 VAL 71 -0.945 -6.070 0.067 536 2HG1 VAL 71 2HG1 VAL 71 -1.078 -7.333 1.305 537 3HG1 VAL 71 3HG1 VAL 71 -2.312 -7.197 0.025 538 1HG2 VAL 71 1HG2 VAL 71 -3.751 -3.996 1.268 539 2HG2 VAL 71 2HG2 VAL 71 -2.599 -4.269 -0.051 540 3HG2 VAL 71 3HG2 VAL 71 -4.004 -5.343 0.124 541 H VAL 72 H VAL 72 -5.715 -6.071 1.772 542 HA VAL 72 HA VAL 72 -5.972 -8.843 0.735 543 HB VAL 72 HB VAL 72 -8.567 -8.059 1.295 544 1HG1 VAL 72 1HG1 VAL 72 -6.566 -9.660 2.927 545 2HG1 VAL 72 2HG1 VAL 72 -8.344 -9.760 3.096 546 3HG1 VAL 72 3HG1 VAL 72 -7.571 -10.266 1.580 547 1HG2 VAL 72 1HG2 VAL 72 -7.629 -6.206 2.825 548 2HG2 VAL 72 2HG2 VAL 72 -8.639 -7.408 3.637 549 3HG2 VAL 72 3HG2 VAL 72 -6.875 -7.479 3.790 550 H ILE 73 H ILE 73 -5.896 -8.844 -1.311 551 HA ILE 73 HA ILE 73 -7.264 -6.760 -2.947 552 HB ILE 73 HB ILE 73 -4.794 -8.411 -3.656 553 1HG1 ILE 73 2HG1 ILE 73 -4.999 -5.546 -2.688 554 2HG1 ILE 73 3HG1 ILE 73 -4.175 -6.883 -1.879 555 1HG2 ILE 73 1HG2 ILE 73 -6.288 -7.683 -5.553 556 2HG2 ILE 73 2HG2 ILE 73 -6.062 -6.000 -5.035 557 3HG2 ILE 73 3HG2 ILE 73 -4.686 -6.963 -5.620 558 1HD1 ILE 73 1HD1 ILE 73 -2.515 -5.551 -2.904 559 2HD1 ILE 73 2HD1 ILE 73 -2.659 -7.059 -3.839 560 3HD1 ILE 73 3HD1 ILE 73 -3.356 -5.532 -4.461 561 H GLU 74 H GLU 74 -9.224 -7.878 -3.200 562 HA GLU 74 HA GLU 74 -9.099 -10.648 -4.315 563 1HB GLU 74 2HB GLU 74 -10.209 -10.315 -2.037 564 2HB GLU 74 3HB GLU 74 -11.453 -9.372 -2.872 565 1HG GLU 74 2HG GLU 74 -11.968 -11.349 -4.292 566 2HG GLU 74 3HG GLU 74 -10.675 -12.263 -3.489 567 H GLY 75 H GLY 75 -9.384 -10.532 -6.490 568 1HA GLY 75 2HA GLY 75 -11.147 -10.142 -8.188 569 2HA GLY 75 3HA GLY 75 -11.224 -8.462 -7.648 570 H ARG 76 H ARG 76 -10.467 -7.376 -9.438 571 HA ARG 76 HA ARG 76 -7.701 -7.821 -10.344 572 1HB ARG 76 2HB ARG 76 -10.214 -7.241 -11.981 573 2HB ARG 76 3HB ARG 76 -8.611 -6.805 -12.554 574 1HG ARG 76 2HG ARG 76 -8.924 -9.671 -11.721 575 2HG ARG 76 3HG ARG 76 -9.878 -9.161 -13.118 576 1HD ARG 76 2HD ARG 76 -7.756 -10.017 -13.898 577 2HD ARG 76 3HD ARG 76 -7.890 -8.276 -14.238 578 HE ARG 76 HE ARG 76 -6.603 -8.710 -11.710 579 1HH1 ARG 76 2HH2 ARG 76 -5.998 -8.911 -15.167 580 2HH1 ARG 76 1HH2 ARG 76 -4.273 -8.747 -15.058 581 1HH2 ARG 76 2HH1 ARG 76 -4.318 -8.492 -11.498 582 2HH2 ARG 76 1HH1 ARG 76 -3.290 -8.522 -12.894 Start of MODEL 8 1 1H MET 1 H1 MET 1 4.760 -1.694 -22.597 2 2H MET 1 H2 MET 1 4.416 -3.083 -23.419 3 3H MET 1 H3 MET 1 5.930 -2.831 -22.805 4 HA MET 1 HA MET 1 5.958 -2.542 -25.126 5 1HB MET 1 2HB MET 1 3.504 -1.038 -24.587 6 2HB MET 1 3HB MET 1 4.636 -0.069 -25.537 7 1HG MET 1 2HG MET 1 4.860 -1.796 -27.203 8 2HG MET 1 3HG MET 1 3.855 -2.910 -26.261 9 1HE MET 1 1HE MET 1 1.671 -2.161 -29.406 10 2HE MET 1 2HE MET 1 3.448 -2.230 -29.373 11 3HE MET 1 3HE MET 1 2.489 -3.413 -28.444 12 H LEU 2 H LEU 2 5.483 0.669 -23.528 13 HA LEU 2 HA LEU 2 8.452 1.007 -23.634 14 1HB LEU 2 2HB LEU 2 6.895 2.533 -24.997 15 2HB LEU 2 3HB LEU 2 6.387 3.233 -23.477 16 HG LEU 2 HG LEU 2 9.142 3.285 -23.177 17 1HD1 LEU 2 1HD1 LEU 2 9.433 2.373 -25.496 18 2HD1 LEU 2 2HD1 LEU 2 8.562 3.782 -26.137 19 3HD1 LEU 2 3HD1 LEU 2 10.121 3.999 -25.317 20 1HD2 LEU 2 1HD2 LEU 2 7.399 5.389 -24.522 21 2HD2 LEU 2 2HD2 LEU 2 7.659 5.181 -22.775 22 3HD2 LEU 2 3HD2 LEU 2 9.007 5.668 -23.817 23 H SER 3 H SER 3 5.925 2.692 -21.689 24 HA SER 3 HA SER 3 6.267 1.196 -19.321 25 1HB SER 3 2HB SER 3 7.141 3.194 -17.968 26 2HB SER 3 3HB SER 3 8.347 2.336 -18.937 27 HG SER 3 HG SER 3 8.025 3.947 -20.574 28 H GLU 4 H GLU 4 4.619 1.965 -17.803 29 HA GLU 4 HA GLU 4 3.082 4.282 -18.165 30 1HB GLU 4 2HB GLU 4 0.937 3.242 -18.853 31 2HB GLU 4 3HB GLU 4 2.134 3.239 -20.128 32 1HG GLU 4 2HG GLU 4 1.586 1.091 -20.436 33 2HG GLU 4 3HG GLU 4 2.597 0.733 -19.036 34 H GLN 5 H GLN 5 1.818 4.499 -16.260 35 HA GLN 5 HA GLN 5 2.394 2.404 -14.210 36 1HB GLN 5 2HB GLN 5 2.873 4.070 -12.663 37 2HB GLN 5 3HB GLN 5 3.874 4.412 -14.064 38 1HG GLN 5 2HG GLN 5 2.343 6.228 -14.760 39 2HG GLN 5 3HG GLN 5 1.260 5.873 -13.404 40 1HE2 GLN 5 1HE2 GLN 5 2.938 5.470 -11.277 41 2HE2 GLN 5 2HE2 GLN 5 3.781 6.923 -10.892 42 H LYS 6 H LYS 6 0.907 2.496 -12.298 43 HA LYS 6 HA LYS 6 -1.773 3.525 -12.972 44 1HB LYS 6 2HB LYS 6 -0.915 0.699 -13.289 45 2HB LYS 6 3HB LYS 6 -2.332 0.868 -12.263 46 1HG LYS 6 2HG LYS 6 -2.172 2.213 -14.969 47 2HG LYS 6 3HG LYS 6 -2.727 0.550 -14.769 48 1HD LYS 6 2HD LYS 6 -4.502 1.225 -13.236 49 2HD LYS 6 3HD LYS 6 -3.949 2.909 -13.260 50 1HE LYS 6 2HE LYS 6 -4.454 3.097 -15.658 51 2HE LYS 6 3HE LYS 6 -5.012 1.415 -15.689 52 1HZ LYS 6 1HZ LYS 6 -6.209 3.570 -14.056 53 2HZ LYS 6 2HZ LYS 6 -6.824 2.988 -15.466 54 3HZ LYS 6 3HZ LYS 6 -6.741 2.017 -14.140 55 H GLU 7 H GLU 7 -3.294 3.295 -11.358 56 HA GLU 7 HA GLU 7 -2.314 3.389 -8.593 57 1HB GLU 7 2HB GLU 7 -4.714 3.963 -8.157 58 2HB GLU 7 3HB GLU 7 -3.831 5.159 -9.110 59 1HG GLU 7 2HG GLU 7 -4.894 4.517 -11.152 60 2HG GLU 7 3HG GLU 7 -5.585 3.046 -10.421 61 H ILE 8 H ILE 8 -2.856 1.836 -7.118 62 HA ILE 8 HA ILE 8 -4.870 -0.186 -7.890 63 HB ILE 8 HB ILE 8 -2.256 -0.899 -7.569 64 1HG1 ILE 8 2HG1 ILE 8 -3.090 -3.166 -6.778 65 2HG1 ILE 8 3HG1 ILE 8 -4.718 -2.468 -6.748 66 1HG2 ILE 8 1HG2 ILE 8 -3.382 -1.170 -4.761 67 2HG2 ILE 8 2HG2 ILE 8 -1.822 -1.758 -5.334 68 3HG2 ILE 8 3HG2 ILE 8 -2.134 -0.013 -5.278 69 1HD1 ILE 8 1HD1 ILE 8 -2.824 -2.536 -9.158 70 2HD1 ILE 8 2HD1 ILE 8 -4.185 -3.646 -8.891 71 3HD1 ILE 8 3HD1 ILE 8 -4.487 -1.924 -9.185 72 H ALA 9 H ALA 9 -6.210 -0.759 -6.080 73 HA ALA 9 HA ALA 9 -6.051 0.919 -3.663 74 1HB ALA 9 1HB ALA 9 -8.510 0.735 -5.451 75 2HB ALA 9 2HB ALA 9 -8.436 1.502 -3.849 76 3HB ALA 9 3HB ALA 9 -7.512 2.184 -5.203 77 H MET 10 H MET 10 -6.323 -0.436 -1.915 78 HA MET 10 HA MET 10 -8.038 -2.782 -2.139 79 1HB MET 10 2HB MET 10 -5.991 -4.162 -1.277 80 2HB MET 10 3HB MET 10 -6.355 -3.939 -2.999 81 1HG MET 10 2HG MET 10 -3.959 -3.709 -2.424 82 2HG MET 10 3HG MET 10 -4.711 -2.359 -3.283 83 1HE MET 10 1HE MET 10 -2.384 -0.963 -2.623 84 2HE MET 10 2HE MET 10 -1.801 -0.881 -0.948 85 3HE MET 10 3HE MET 10 -1.828 -2.441 -1.795 86 H GLN 11 H GLN 11 -7.878 -4.105 -0.048 87 HA GLN 11 HA GLN 11 -8.289 -2.160 2.150 88 1HB GLN 11 2HB GLN 11 -9.310 -4.997 2.209 89 2HB GLN 11 3HB GLN 11 -9.816 -3.583 3.106 90 1HG GLN 11 2HG GLN 11 -11.551 -3.905 1.618 91 2HG GLN 11 3HG GLN 11 -10.631 -2.610 0.852 92 1HE2 GLN 11 1HE2 GLN 11 -9.689 -3.057 -1.141 93 2HE2 GLN 11 2HE2 GLN 11 -9.859 -4.527 -2.086 94 H VAL 12 H VAL 12 -7.442 -2.580 4.222 95 HA VAL 12 HA VAL 12 -5.162 -4.517 4.276 96 HB VAL 12 HB VAL 12 -5.149 -2.063 6.000 97 1HG1 VAL 12 1HG1 VAL 12 -3.000 -3.594 4.484 98 2HG1 VAL 12 2HG1 VAL 12 -2.731 -2.223 5.572 99 3HG1 VAL 12 3HG1 VAL 12 -3.342 -3.747 6.230 100 1HG2 VAL 12 1HG2 VAL 12 -4.449 -2.135 3.036 101 2HG2 VAL 12 2HG2 VAL 12 -5.634 -1.053 3.823 102 3HG2 VAL 12 3HG2 VAL 12 -3.912 -0.860 4.165 103 H SER 13 H SER 13 -4.606 -5.370 6.438 104 HA SER 13 HA SER 13 -6.949 -5.412 8.302 105 1HB SER 13 2HB SER 13 -6.321 -7.525 6.784 106 2HB SER 13 3HB SER 13 -5.052 -7.729 7.998 107 HG SER 13 HG SER 13 -7.865 -7.600 8.418 108 H GLY 14 H GLY 14 -6.458 -4.870 10.360 109 1HA GLY 14 2HA GLY 14 -5.134 -5.210 12.304 110 2HA GLY 14 3HA GLY 14 -3.650 -5.102 11.367 111 H MET 15 H MET 15 -5.158 -2.668 9.967 112 HA MET 15 HA MET 15 -3.917 -0.588 11.401 113 1HB MET 15 2HB MET 15 -5.192 0.959 10.066 114 2HB MET 15 3HB MET 15 -4.583 -0.360 9.058 115 1HG MET 15 2HG MET 15 -7.461 -0.279 10.074 116 2HG MET 15 3HG MET 15 -6.922 0.512 8.605 117 1HE MET 15 1HE MET 15 -8.507 -1.985 6.492 118 2HE MET 15 2HE MET 15 -8.951 -0.704 7.650 119 3HE MET 15 3HE MET 15 -7.624 -0.445 6.484 120 H THR 16 H THR 16 -4.744 1.097 12.753 121 HA THR 16 HA THR 16 -7.358 0.567 14.101 122 HB THR 16 HB THR 16 -6.374 1.045 16.252 123 HG1 THR 16 1HG THR 16 -3.913 1.250 14.840 124 1HG2 THR 16 1HG2 THR 16 -5.092 -0.976 16.604 125 2HG2 THR 16 2HG2 THR 16 -6.358 -1.330 15.409 126 3HG2 THR 16 3HG2 THR 16 -4.676 -1.095 14.889 127 H CYS 17 H CYS 17 -6.718 2.323 11.931 128 HA CYS 17 HA CYS 17 -6.898 4.426 11.235 129 1HB CYS 17 2HB CYS 17 -9.074 4.242 12.500 130 2HB CYS 17 3HB CYS 17 -8.337 5.241 13.763 131 HG CYS 17 HG CYS 17 -7.640 7.199 12.071 132 H ALA 18 H ALA 18 -6.802 6.562 13.758 133 HA ALA 18 HA ALA 18 -5.128 8.162 14.040 134 1HB ALA 18 1HB ALA 18 -5.627 6.877 16.062 135 2HB ALA 18 2HB ALA 18 -4.344 5.717 15.661 136 3HB ALA 18 3HB ALA 18 -3.935 7.406 16.042 137 H ALA 19 H ALA 19 -4.332 7.720 11.658 138 HA ALA 19 HA ALA 19 -2.628 7.661 10.174 139 1HB ALA 19 1HB ALA 19 -0.613 8.844 10.869 140 2HB ALA 19 2HB ALA 19 -2.042 9.605 11.592 141 3HB ALA 19 3HB ALA 19 -0.996 8.560 12.578 142 H CYS 20 H CYS 20 -3.036 5.083 11.674 143 HA CYS 20 HA CYS 20 -0.410 3.873 11.984 144 1HB CYS 20 2HB CYS 20 -3.220 2.691 11.900 145 2HB CYS 20 3HB CYS 20 -1.746 1.724 12.079 146 HG CYS 20 HG CYS 20 -2.731 4.250 13.946 147 H ALA 21 H ALA 21 -3.072 3.244 9.647 148 HA ALA 21 HA ALA 21 -1.484 1.622 8.000 149 1HB ALA 21 1HB ALA 21 -3.980 1.668 8.020 150 2HB ALA 21 2HB ALA 21 -3.898 3.191 7.106 151 3HB ALA 21 3HB ALA 21 -3.272 1.697 6.392 152 H ALA 22 H ALA 22 -1.863 5.082 8.077 153 HA ALA 22 HA ALA 22 -0.712 5.870 5.646 154 1HB ALA 22 1HB ALA 22 -1.641 7.392 7.401 155 2HB ALA 22 2HB ALA 22 -0.286 6.992 8.463 156 3HB ALA 22 3HB ALA 22 0.013 7.870 6.942 157 H ARG 23 H ARG 23 0.900 4.615 8.631 158 HA ARG 23 HA ARG 23 3.590 5.027 7.620 159 1HB ARG 23 2HB ARG 23 2.525 3.253 9.840 160 2HB ARG 23 3HB ARG 23 4.232 3.448 9.410 161 1HG ARG 23 2HG ARG 23 4.019 5.910 9.715 162 2HG ARG 23 3HG ARG 23 2.376 5.697 10.327 163 1HD ARG 23 2HD ARG 23 4.729 4.224 11.620 164 2HD ARG 23 3HD ARG 23 4.446 5.921 11.934 165 HE ARG 23 HE ARG 23 2.564 5.553 13.125 166 1HH1 ARG 23 2HH2 ARG 23 3.492 2.500 11.641 167 2HH1 ARG 23 1HH2 ARG 23 2.517 1.509 12.684 168 1HH2 ARG 23 2HH1 ARG 23 1.260 4.288 14.526 169 2HH2 ARG 23 1HH1 ARG 23 1.191 2.570 14.354 170 H ILE 24 H ILE 24 1.243 2.349 7.502 171 HA ILE 24 HA ILE 24 2.947 0.344 6.462 172 HB ILE 24 HB ILE 24 0.008 0.799 5.779 173 1HG1 ILE 24 2HG1 ILE 24 1.233 -0.948 7.925 174 2HG1 ILE 24 3HG1 ILE 24 0.462 0.596 8.256 175 1HG2 ILE 24 1HG2 ILE 24 1.095 -0.676 4.214 176 2HG2 ILE 24 2HG2 ILE 24 1.713 -1.689 5.542 177 3HG2 ILE 24 3HG2 ILE 24 -0.032 -1.567 5.219 178 1HD1 ILE 24 1HD1 ILE 24 -0.865 -1.938 7.257 179 2HD1 ILE 24 2HD1 ILE 24 -1.268 -0.936 8.663 180 3HD1 ILE 24 3HD1 ILE 24 -1.634 -0.367 7.029 181 H GLU 25 H GLU 25 0.789 2.650 4.740 182 HA GLU 25 HA GLU 25 1.825 1.789 2.256 183 1HB GLU 25 2HB GLU 25 -0.397 3.232 3.001 184 2HB GLU 25 3HB GLU 25 0.608 4.523 2.345 185 1HG GLU 25 2HG GLU 25 -0.675 3.637 0.481 186 2HG GLU 25 3HG GLU 25 1.000 3.127 0.265 187 H LYS 26 H LYS 26 2.679 4.592 4.340 188 HA LYS 26 HA LYS 26 4.448 5.982 2.655 189 1HB LYS 26 2HB LYS 26 4.276 5.401 5.602 190 2HB LYS 26 3HB LYS 26 5.686 6.209 4.992 191 1HG LYS 26 2HG LYS 26 3.014 7.304 4.098 192 2HG LYS 26 3HG LYS 26 3.475 7.538 5.786 193 1HD LYS 26 2HD LYS 26 5.629 8.500 5.157 194 2HD LYS 26 3HD LYS 26 5.283 8.261 3.429 195 1HE LYS 26 2HE LYS 26 3.490 9.913 3.506 196 2HE LYS 26 3HE LYS 26 3.482 9.923 5.276 197 1HZ LYS 26 1HZ LYS 26 4.560 11.856 4.388 198 2HZ LYS 26 2HZ LYS 26 5.610 10.964 5.274 199 3HZ LYS 26 3HZ LYS 26 5.699 10.945 3.629 200 H GLY 27 H GLY 27 4.939 2.968 4.541 201 1HA GLY 27 2HA GLY 27 7.657 2.471 3.941 202 2HA GLY 27 3HA GLY 27 6.398 1.250 4.176 203 H LEU 28 H LEU 28 4.664 1.727 1.972 204 HA LEU 28 HA LEU 28 6.219 0.550 -0.172 205 1HB LEU 28 2HB LEU 28 3.411 1.675 -0.135 206 2HB LEU 28 3HB LEU 28 4.136 0.739 -1.449 207 HG LEU 28 HG LEU 28 3.760 -0.325 1.370 208 1HD1 LEU 28 1HD1 LEU 28 1.671 -0.150 0.515 209 2HD1 LEU 28 2HD1 LEU 28 2.133 -0.403 -1.170 210 3HD1 LEU 28 3HD1 LEU 28 2.107 -1.773 -0.048 211 1HD2 LEU 28 1HD2 LEU 28 5.601 -1.513 0.622 212 2HD2 LEU 28 2HD2 LEU 28 4.270 -2.547 0.115 213 3HD2 LEU 28 3HD2 LEU 28 5.106 -1.522 -1.064 214 H LYS 29 H LYS 29 5.085 3.855 0.522 215 HA LYS 29 HA LYS 29 5.857 4.915 -2.013 216 1HB LYS 29 2HB LYS 29 4.432 6.188 -0.757 217 2HB LYS 29 3HB LYS 29 5.497 6.254 0.648 218 1HG LYS 29 2HG LYS 29 6.803 7.951 -0.225 219 2HG LYS 29 3HG LYS 29 6.672 7.333 -1.874 220 1HD LYS 29 2HD LYS 29 5.686 9.487 -1.769 221 2HD LYS 29 3HD LYS 29 4.636 8.192 -2.315 222 1HE LYS 29 2HE LYS 29 3.396 8.178 -0.235 223 2HE LYS 29 3HE LYS 29 4.516 9.325 0.508 224 1HZ LYS 29 1HZ LYS 29 3.756 11.032 -0.950 225 2HZ LYS 29 2HZ LYS 29 2.957 10.061 -1.919 226 3HZ LYS 29 3HZ LYS 29 2.381 10.303 -0.412 227 H ARG 30 H ARG 30 7.833 3.606 0.537 228 HA ARG 30 HA ARG 30 10.281 4.823 -0.660 229 1HB ARG 30 2HB ARG 30 9.616 3.285 1.843 230 2HB ARG 30 3HB ARG 30 11.267 3.259 1.238 231 1HG ARG 30 2HG ARG 30 11.429 5.670 1.249 232 2HG ARG 30 3HG ARG 30 9.686 5.821 1.537 233 1HD ARG 30 2HD ARG 30 10.054 4.534 3.721 234 2HD ARG 30 3HD ARG 30 11.775 4.867 3.540 235 HE ARG 30 HE ARG 30 9.618 6.634 4.339 236 1HH1 ARG 30 2HH2 ARG 30 12.735 6.662 2.714 237 2HH1 ARG 30 1HH2 ARG 30 13.049 8.354 2.953 238 1HH2 ARG 30 2HH1 ARG 30 9.969 8.891 4.677 239 2HH2 ARG 30 1HH1 ARG 30 11.409 9.655 4.089 240 H MET 31 H MET 31 8.329 2.232 -1.660 241 HA MET 31 HA MET 31 10.553 0.474 -2.304 242 1HB MET 31 2HB MET 31 7.638 0.496 -3.102 243 2HB MET 31 3HB MET 31 8.771 -0.666 -3.771 244 1HG MET 31 2HG MET 31 8.512 -0.434 -0.761 245 2HG MET 31 3HG MET 31 7.331 -1.295 -1.743 246 1HE MET 31 1HE MET 31 11.464 -1.392 -1.846 247 2HE MET 31 2HE MET 31 10.853 -1.436 -0.173 248 3HE MET 31 3HE MET 31 11.564 -2.882 -0.926 249 HA PRO 32 HA PRO 32 11.754 2.567 -6.016 250 1HB PRO 32 2HB PRO 32 13.083 0.623 -7.387 251 2HB PRO 32 3HB PRO 32 13.695 1.321 -5.862 252 1HG PRO 32 2HG PRO 32 12.151 -1.259 -6.216 253 2HG PRO 32 3HG PRO 32 13.660 -1.007 -5.296 254 1HD PRO 32 2HD PRO 32 11.200 -1.008 -4.114 255 2HD PRO 32 3HD PRO 32 12.507 0.084 -3.543 256 H GLY 33 H GLY 33 9.791 3.097 -7.037 257 1HA GLY 33 2HA GLY 33 9.221 2.862 -9.453 258 2HA GLY 33 3HA GLY 33 8.728 1.216 -9.109 259 H VAL 34 H VAL 34 7.988 2.792 -6.289 260 HA VAL 34 HA VAL 34 5.239 3.422 -6.941 261 HB VAL 34 HB VAL 34 6.217 2.596 -4.746 262 1HG1 VAL 34 1HG1 VAL 34 8.068 4.524 -4.941 263 2HG1 VAL 34 2HG1 VAL 34 6.852 5.482 -4.100 264 3HG1 VAL 34 3HG1 VAL 34 7.474 3.964 -3.397 265 1HG2 VAL 34 1HG2 VAL 34 4.577 3.686 -3.413 266 2HG2 VAL 34 2HG2 VAL 34 4.537 5.118 -4.462 267 3HG2 VAL 34 3HG2 VAL 34 3.909 3.563 -5.041 268 H THR 35 H THR 35 4.302 5.477 -6.851 269 HA THR 35 HA THR 35 6.135 7.841 -7.106 270 HB THR 35 HB THR 35 3.513 8.560 -7.987 271 HG1 THR 35 1HG THR 35 3.351 6.219 -8.396 272 1HG2 THR 35 1HG2 THR 35 5.611 9.585 -8.737 273 2HG2 THR 35 2HG2 THR 35 6.059 8.082 -9.581 274 3HG2 THR 35 3HG2 THR 35 4.644 9.019 -10.112 275 H ASP 36 H ASP 36 2.778 6.887 -6.131 276 HA ASP 36 HA ASP 36 3.115 8.466 -3.676 277 1HB ASP 36 2HB ASP 36 1.471 9.352 -6.003 278 2HB ASP 36 3HB ASP 36 0.695 9.447 -4.417 279 H ALA 37 H ALA 37 1.388 8.346 -2.205 280 HA ALA 37 HA ALA 37 -0.186 5.846 -2.270 281 1HB ALA 37 1HB ALA 37 0.582 5.421 0.060 282 2HB ALA 37 2HB ALA 37 1.887 5.208 -1.130 283 3HB ALA 37 3HB ALA 37 1.808 6.664 -0.112 284 H ASN 38 H ASN 38 -2.152 6.170 -1.314 285 HA ASN 38 HA ASN 38 -2.628 8.562 0.375 286 1HB ASN 38 2HB ASN 38 -3.851 7.990 -2.321 287 2HB ASN 38 3HB ASN 38 -4.883 8.648 -1.047 288 1HD2 ASN 38 1HD2 ASN 38 -2.850 9.589 -3.571 289 2HD2 ASN 38 2HD2 ASN 38 -2.539 11.217 -2.999 290 H VAL 39 H VAL 39 -3.347 7.749 2.187 291 HA VAL 39 HA VAL 39 -4.683 5.154 2.324 292 HB VAL 39 HB VAL 39 -2.862 6.001 3.850 293 1HG1 VAL 39 1HG1 VAL 39 -5.091 7.607 5.165 294 2HG1 VAL 39 2HG1 VAL 39 -3.416 7.431 5.708 295 3HG1 VAL 39 3HG1 VAL 39 -3.764 8.309 4.214 296 1HG2 VAL 39 1HG2 VAL 39 -3.987 4.040 4.471 297 2HG2 VAL 39 2HG2 VAL 39 -4.019 5.084 5.909 298 3HG2 VAL 39 3HG2 VAL 39 -5.469 4.911 4.889 299 H ASN 40 H ASN 40 -6.840 4.730 2.752 300 HA ASN 40 HA ASN 40 -8.654 7.005 3.191 301 1HB ASN 40 2HB ASN 40 -8.578 6.362 0.752 302 2HB ASN 40 3HB ASN 40 -9.193 4.763 1.197 303 1HD2 ASN 40 1HD2 ASN 40 -11.088 5.363 -0.200 304 2HD2 ASN 40 2HD2 ASN 40 -12.370 6.278 0.573 305 H LEU 41 H LEU 41 -8.091 5.951 5.365 306 HA LEU 41 HA LEU 41 -9.326 3.439 5.989 307 1HB LEU 41 2HB LEU 41 -8.550 5.726 7.840 308 2HB LEU 41 3HB LEU 41 -8.996 4.088 8.332 309 HG LEU 41 HG LEU 41 -6.584 4.946 6.710 310 1HD1 LEU 41 1HD1 LEU 41 -6.775 3.429 9.315 311 2HD1 LEU 41 2HD1 LEU 41 -5.300 4.079 8.577 312 3HD1 LEU 41 3HD1 LEU 41 -6.525 5.200 9.178 313 1HD2 LEU 41 1HD2 LEU 41 -7.201 2.860 5.659 314 2HD2 LEU 41 2HD2 LEU 41 -6.000 2.399 6.858 315 3HD2 LEU 41 3HD2 LEU 41 -7.713 2.159 7.213 316 H ALA 42 H ALA 42 -10.757 6.460 5.432 317 HA ALA 42 HA ALA 42 -13.174 6.226 6.950 318 1HB ALA 42 1HB ALA 42 -12.537 8.235 5.605 319 2HB ALA 42 2HB ALA 42 -12.771 7.285 4.120 320 3HB ALA 42 3HB ALA 42 -14.147 7.613 5.185 321 H THR 43 H THR 43 -11.832 4.477 4.207 322 HA THR 43 HA THR 43 -14.269 2.769 4.028 323 HB THR 43 HB THR 43 -12.233 3.468 1.864 324 HG1 THR 43 1HG THR 43 -14.662 4.681 2.606 325 1HG2 THR 43 1HG2 THR 43 -14.990 2.182 1.778 326 2HG2 THR 43 2HG2 THR 43 -14.156 2.842 0.353 327 3HG2 THR 43 3HG2 THR 43 -13.450 1.480 1.225 328 H GLU 44 H GLU 44 -11.607 2.623 5.770 329 HA GLU 44 HA GLU 44 -9.923 1.183 6.212 330 1HB GLU 44 2HB GLU 44 -12.191 -0.737 5.529 331 2HB GLU 44 3HB GLU 44 -10.731 -1.182 6.399 332 1HG GLU 44 2HG GLU 44 -11.257 0.639 8.096 333 2HG GLU 44 3HG GLU 44 -12.828 0.833 7.300 334 H THR 45 H THR 45 -9.539 2.223 3.649 335 HA THR 45 HA THR 45 -8.350 -0.039 2.146 336 HB THR 45 HB THR 45 -10.328 2.081 1.157 337 HG1 THR 45 1HG THR 45 -11.263 0.199 2.042 338 1HG2 THR 45 1HG2 THR 45 -8.928 0.022 -0.585 339 2HG2 THR 45 2HG2 THR 45 -10.168 1.170 -1.078 340 3HG2 THR 45 3HG2 THR 45 -8.575 1.765 -0.603 341 H VAL 46 H VAL 46 -6.624 0.613 0.812 342 HA VAL 46 HA VAL 46 -5.852 3.487 0.973 343 HB VAL 46 HB VAL 46 -4.593 2.388 2.685 344 1HG1 VAL 46 1HG1 VAL 46 -4.716 0.009 1.808 345 2HG1 VAL 46 2HG1 VAL 46 -3.510 0.456 0.590 346 3HG1 VAL 46 3HG1 VAL 46 -3.092 0.504 2.306 347 1HG2 VAL 46 1HG2 VAL 46 -2.740 2.640 0.284 348 2HG2 VAL 46 2HG2 VAL 46 -3.384 4.041 1.116 349 3HG2 VAL 46 3HG2 VAL 46 -2.375 2.912 2.009 350 H ASN 47 H ASN 47 -4.629 4.203 -0.835 351 HA ASN 47 HA ASN 47 -4.497 2.285 -3.061 352 1HB ASN 47 2HB ASN 47 -5.484 3.720 -4.626 353 2HB ASN 47 3HB ASN 47 -6.512 3.947 -3.216 354 1HD2 ASN 47 1HD2 ASN 47 -3.927 5.354 -5.236 355 2HD2 ASN 47 2HD2 ASN 47 -4.196 7.002 -4.708 356 H VAL 48 H VAL 48 -2.862 2.652 -4.573 357 HA VAL 48 HA VAL 48 -0.841 4.657 -3.950 358 HB VAL 48 HB VAL 48 -0.287 2.932 -2.320 359 1HG1 VAL 48 1HG1 VAL 48 -1.315 0.979 -3.341 360 2HG1 VAL 48 2HG1 VAL 48 -0.127 1.010 -4.668 361 3HG1 VAL 48 3HG1 VAL 48 0.388 0.654 -3.008 362 1HG2 VAL 48 1HG2 VAL 48 2.023 2.346 -3.001 363 2HG2 VAL 48 2HG2 VAL 48 1.677 2.925 -4.642 364 3HG2 VAL 48 3HG2 VAL 48 1.645 4.042 -3.258 365 H ILE 49 H ILE 49 0.402 5.154 -5.642 366 HA ILE 49 HA ILE 49 -0.334 3.965 -8.257 367 HB ILE 49 HB ILE 49 0.671 6.778 -7.711 368 1HG1 ILE 49 2HG1 ILE 49 -1.937 7.039 -8.611 369 2HG1 ILE 49 3HG1 ILE 49 -2.083 5.635 -7.556 370 1HG2 ILE 49 1HG2 ILE 49 -0.614 5.519 -10.172 371 2HG2 ILE 49 2HG2 ILE 49 -0.048 7.194 -10.015 372 3HG2 ILE 49 3HG2 ILE 49 1.115 5.867 -9.983 373 1HD1 ILE 49 1HD1 ILE 49 -0.942 8.366 -6.815 374 2HD1 ILE 49 2HD1 ILE 49 -2.521 7.717 -6.339 375 3HD1 ILE 49 3HD1 ILE 49 -1.036 6.980 -5.705 376 H TYR 50 H TYR 50 1.212 2.862 -9.264 377 HA TYR 50 HA TYR 50 4.060 3.484 -8.849 378 1HB TYR 50 2HB TYR 50 4.478 1.040 -8.394 379 2HB TYR 50 3HB TYR 50 3.780 1.888 -7.055 380 HD1 TYR 50 HD1 TYR 50 2.844 -0.272 -10.040 381 HD2 TYR 50 HD2 TYR 50 1.887 0.897 -6.000 382 HE1 TYR 50 HE1 TYR 50 1.135 -2.031 -9.941 383 HE2 TYR 50 HE2 TYR 50 0.278 -0.970 -5.862 384 HH TYR 50 HH TYR 50 -0.755 -2.707 -7.006 385 H ASP 51 H ASP 51 5.422 1.932 -10.193 386 HA ASP 51 HA ASP 51 4.121 1.675 -12.831 387 1HB ASP 51 2HB ASP 51 5.913 3.318 -12.471 388 2HB ASP 51 3HB ASP 51 7.040 2.013 -12.128 389 HA PRO 52 HA PRO 52 4.801 -2.827 -12.101 390 1HB PRO 52 2HB PRO 52 3.668 -3.787 -14.342 391 2HB PRO 52 3HB PRO 52 2.712 -3.053 -13.024 392 1HG PRO 52 2HG PRO 52 3.678 -1.702 -15.561 393 2HG PRO 52 3HG PRO 52 2.011 -1.733 -14.915 394 1HD PRO 52 2HD PRO 52 3.732 0.315 -14.464 395 2HD PRO 52 3HD PRO 52 2.576 -0.193 -13.191 396 H ALA 53 H ALA 53 6.737 -0.821 -13.792 397 HA ALA 53 HA ALA 53 8.144 -2.877 -15.401 398 1HB ALA 53 1HB ALA 53 8.980 -0.059 -14.589 399 2HB ALA 53 2HB ALA 53 9.800 -1.111 -15.758 400 3HB ALA 53 3HB ALA 53 8.169 -0.505 -16.107 401 H GLU 54 H GLU 54 8.335 -1.181 -12.337 402 HA GLU 54 HA GLU 54 10.583 -2.900 -11.332 403 1HB GLU 54 2HB GLU 54 9.559 -0.110 -10.636 404 2HB GLU 54 3HB GLU 54 10.724 -1.001 -9.670 405 1HG GLU 54 2HG GLU 54 12.234 -1.079 -11.696 406 2HG GLU 54 3HG GLU 54 11.082 -0.002 -12.515 407 H THR 55 H THR 55 7.503 -1.352 -10.526 408 HA THR 55 HA THR 55 7.223 -2.806 -7.994 409 HB THR 55 HB THR 55 6.269 -0.169 -8.913 410 HG1 THR 55 1HG THR 55 8.587 -0.595 -8.128 411 1HG2 THR 55 1HG2 THR 55 5.732 0.120 -6.478 412 2HG2 THR 55 2HG2 THR 55 4.706 -1.047 -7.321 413 3HG2 THR 55 3HG2 THR 55 6.009 -1.644 -6.239 414 H GLY 56 H GLY 56 5.613 -4.188 -7.674 415 1HA GLY 56 2HA GLY 56 3.013 -3.168 -8.208 416 2HA GLY 56 3HA GLY 56 3.258 -4.705 -9.059 417 H THR 57 H THR 57 1.426 -4.908 -7.481 418 HA THR 57 HA THR 57 1.255 -5.504 -4.877 419 HB THR 57 HB THR 57 -0.662 -6.004 -5.985 420 HG1 THR 57 1HG THR 57 -0.379 -7.873 -4.749 421 1HG2 THR 57 1HG2 THR 57 0.951 -7.545 -8.077 422 2HG2 THR 57 2HG2 THR 57 -0.819 -7.503 -7.982 423 3HG2 THR 57 3HG2 THR 57 0.056 -6.016 -8.314 424 H ALA 58 H ALA 58 3.083 -7.591 -7.153 425 HA ALA 58 HA ALA 58 3.826 -9.620 -5.429 426 1HB ALA 58 1HB ALA 58 5.871 -9.802 -6.857 427 2HB ALA 58 2HB ALA 58 4.408 -9.552 -7.829 428 3HB ALA 58 3HB ALA 58 5.524 -8.196 -7.540 429 H ALA 59 H ALA 59 5.393 -6.381 -5.665 430 HA ALA 59 HA ALA 59 7.517 -7.181 -3.751 431 1HB ALA 59 1HB ALA 59 8.330 -4.876 -4.113 432 2HB ALA 59 2HB ALA 59 8.139 -5.724 -5.661 433 3HB ALA 59 3HB ALA 59 6.932 -4.524 -5.148 434 H ILE 60 H ILE 60 4.588 -5.311 -4.145 435 HA ILE 60 HA ILE 60 4.813 -3.845 -1.755 436 HB ILE 60 HB ILE 60 2.903 -4.183 -3.982 437 1HG1 ILE 60 2HG1 ILE 60 3.427 -1.786 -2.295 438 2HG1 ILE 60 3HG1 ILE 60 4.700 -2.373 -3.376 439 1HG2 ILE 60 1HG2 ILE 60 1.179 -4.602 -2.496 440 2HG2 ILE 60 2HG2 ILE 60 1.802 -3.525 -1.244 441 3HG2 ILE 60 3HG2 ILE 60 1.091 -2.867 -2.731 442 1HD1 ILE 60 1HD1 ILE 60 3.168 -2.155 -5.315 443 2HD1 ILE 60 2HD1 ILE 60 1.943 -1.437 -4.238 444 3HD1 ILE 60 3HD1 ILE 60 3.492 -0.615 -4.495 445 H GLN 61 H GLN 61 2.806 -6.785 -2.370 446 HA GLN 61 HA GLN 61 1.778 -7.063 0.258 447 1HB GLN 61 2HB GLN 61 2.437 -8.961 -1.989 448 2HB GLN 61 3HB GLN 61 2.252 -9.618 -0.361 449 1HG GLN 61 2HG GLN 61 0.190 -9.913 -1.300 450 2HG GLN 61 3HG GLN 61 0.008 -8.572 -0.168 451 1HE2 GLN 61 1HE2 GLN 61 0.627 -6.345 -1.511 452 2HE2 GLN 61 2HE2 GLN 61 -0.401 -6.166 -2.924 453 H GLU 62 H GLU 62 4.822 -8.312 -1.117 454 HA GLU 62 HA GLU 62 5.825 -9.608 1.110 455 1HB GLU 62 2HB GLU 62 6.729 -8.941 -1.467 456 2HB GLU 62 3HB GLU 62 7.855 -8.040 -0.468 457 1HG GLU 62 2HG GLU 62 7.243 -11.031 -0.246 458 2HG GLU 62 3HG GLU 62 8.584 -10.330 -1.161 459 H LYS 63 H LYS 63 6.231 -6.101 0.322 460 HA LYS 63 HA LYS 63 7.650 -5.684 2.815 461 1HB LYS 63 2HB LYS 63 6.919 -4.114 0.426 462 2HB LYS 63 3HB LYS 63 6.646 -3.245 1.917 463 1HG LYS 63 2HG LYS 63 8.917 -2.847 1.148 464 2HG LYS 63 3HG LYS 63 8.982 -3.735 2.666 465 1HD LYS 63 2HD LYS 63 8.829 -5.539 0.322 466 2HD LYS 63 3HD LYS 63 10.190 -4.441 0.183 467 1HE LYS 63 2HE LYS 63 11.224 -5.196 2.176 468 2HE LYS 63 3HE LYS 63 9.782 -6.070 2.717 469 1HZ LYS 63 1HZ LYS 63 11.398 -7.571 1.776 470 2HZ LYS 63 2HZ LYS 63 10.014 -7.620 0.993 471 3HZ LYS 63 3HZ LYS 63 11.286 -6.837 0.302 472 H ILE 64 H ILE 64 4.220 -5.235 1.801 473 HA ILE 64 HA ILE 64 3.310 -3.866 3.997 474 HB ILE 64 HB ILE 64 1.966 -6.005 2.337 475 1HG1 ILE 64 2HG1 ILE 64 2.539 -3.803 1.195 476 2HG1 ILE 64 3HG1 ILE 64 0.853 -4.313 1.178 477 1HG2 ILE 64 1HG2 ILE 64 0.930 -4.315 4.614 478 2HG2 ILE 64 2HG2 ILE 64 -0.147 -4.914 3.343 479 3HG2 ILE 64 3HG2 ILE 64 0.745 -6.068 4.326 480 1HD1 ILE 64 1HD1 ILE 64 0.501 -2.735 3.166 481 2HD1 ILE 64 2HD1 ILE 64 2.151 -2.140 2.806 482 3HD1 ILE 64 3HD1 ILE 64 0.821 -2.017 1.623 483 H GLU 65 H GLU 65 3.688 -7.462 3.537 484 HA GLU 65 HA GLU 65 2.792 -8.416 6.029 485 1HB GLU 65 2HB GLU 65 4.878 -9.270 4.039 486 2HB GLU 65 3HB GLU 65 4.720 -10.140 5.572 487 1HG GLU 65 2HG GLU 65 2.252 -9.610 3.888 488 2HG GLU 65 3HG GLU 65 3.345 -10.931 3.477 489 H LYS 66 H LYS 66 5.985 -7.022 5.178 490 HA LYS 66 HA LYS 66 7.056 -7.622 7.794 491 1HB LYS 66 2HB LYS 66 8.226 -7.317 5.441 492 2HB LYS 66 3HB LYS 66 8.250 -5.611 5.913 493 1HG LYS 66 2HG LYS 66 10.123 -6.058 7.173 494 2HG LYS 66 3HG LYS 66 9.115 -7.001 8.240 495 1HD LYS 66 2HD LYS 66 10.669 -8.635 7.682 496 2HD LYS 66 3HD LYS 66 9.410 -8.947 6.500 497 1HE LYS 66 2HE LYS 66 11.413 -8.958 5.228 498 2HE LYS 66 3HE LYS 66 10.696 -7.374 4.902 499 1HZ LYS 66 1HZ LYS 66 12.196 -6.474 6.612 500 2HZ LYS 66 2HZ LYS 66 12.868 -7.959 6.815 501 3HZ LYS 66 3HZ LYS 66 13.034 -7.179 5.383 502 H LEU 67 H LEU 67 5.577 -4.754 6.208 503 HA LEU 67 HA LEU 67 6.039 -2.862 8.267 504 1HB LEU 67 2HB LEU 67 3.885 -3.316 6.185 505 2HB LEU 67 3HB LEU 67 3.583 -2.166 7.444 506 HG LEU 67 HG LEU 67 4.355 -1.143 5.453 507 1HD1 LEU 67 1HD1 LEU 67 5.950 0.370 6.397 508 2HD1 LEU 67 2HD1 LEU 67 4.979 -0.226 7.756 509 3HD1 LEU 67 3HD1 LEU 67 6.611 -0.878 7.470 510 1HD2 LEU 67 1HD2 LEU 67 6.917 -2.725 5.639 511 2HD2 LEU 67 2HD2 LEU 67 5.696 -2.668 4.333 512 3HD2 LEU 67 3HD2 LEU 67 6.698 -1.262 4.662 513 H GLY 68 H GLY 68 4.091 -5.788 8.241 514 1HA GLY 68 2HA GLY 68 3.744 -6.900 10.268 515 2HA GLY 68 3HA GLY 68 3.583 -5.372 11.140 516 H TYR 69 H TYR 69 2.004 -6.141 8.004 517 HA TYR 69 HA TYR 69 -0.655 -6.529 9.256 518 1HB TYR 69 2HB TYR 69 -0.022 -4.294 7.274 519 2HB TYR 69 3HB TYR 69 -1.604 -4.680 7.930 520 HD1 TYR 69 HD1 TYR 69 1.746 -3.304 8.700 521 HD2 TYR 69 HD2 TYR 69 -2.321 -3.680 10.025 522 HE1 TYR 69 HE1 TYR 69 2.235 -1.793 10.576 523 HE2 TYR 69 HE2 TYR 69 -1.872 -2.053 11.850 524 HH TYR 69 HH TYR 69 1.424 -1.105 12.668 525 H HIS 70 H HIS 70 -2.203 -7.154 7.342 526 HA HIS 70 HA HIS 70 -0.642 -7.850 4.931 527 1HB HIS 70 2HB HIS 70 -2.066 -9.740 4.572 528 2HB HIS 70 3HB HIS 70 -0.918 -9.912 5.904 529 HD1 HIS 70 1HD HIS 70 -1.967 -11.300 7.743 530 HD2 HIS 70 2HD HIS 70 -4.719 -9.009 5.548 531 HE1 HIS 70 1HE HIS 70 -4.295 -11.935 8.599 532 H VAL 71 H VAL 71 -1.476 -7.339 3.171 533 HA VAL 71 HA VAL 71 -3.946 -5.688 3.027 534 HB VAL 71 HB VAL 71 -1.891 -4.672 2.164 535 1HG1 VAL 71 1HG1 VAL 71 -1.941 -6.853 0.032 536 2HG1 VAL 71 2HG1 VAL 71 -0.853 -5.464 0.093 537 3HG1 VAL 71 3HG1 VAL 71 -0.722 -6.730 1.325 538 1HG2 VAL 71 1HG2 VAL 71 -4.003 -3.970 1.218 539 2HG2 VAL 71 2HG2 VAL 71 -2.679 -3.942 0.038 540 3HG2 VAL 71 3HG2 VAL 71 -3.882 -5.236 -0.030 541 H VAL 72 H VAL 72 -5.674 -6.313 1.701 542 HA VAL 72 HA VAL 72 -5.590 -9.139 0.715 543 HB VAL 72 HB VAL 72 -7.880 -9.224 0.861 544 1HG1 VAL 72 1HG1 VAL 72 -6.751 -9.096 3.081 545 2HG1 VAL 72 2HG1 VAL 72 -7.238 -7.375 3.171 546 3HG1 VAL 72 3HG1 VAL 72 -8.472 -8.645 3.098 547 1HG2 VAL 72 1HG2 VAL 72 -7.944 -6.205 0.932 548 2HG2 VAL 72 2HG2 VAL 72 -8.667 -7.282 -0.272 549 3HG2 VAL 72 3HG2 VAL 72 -9.343 -7.221 1.355 550 H ILE 73 H ILE 73 -6.700 -9.460 -1.408 551 HA ILE 73 HA ILE 73 -6.613 -7.063 -3.198 552 HB ILE 73 HB ILE 73 -5.604 -9.847 -3.864 553 1HG1 ILE 73 2HG1 ILE 73 -4.040 -8.617 -2.328 554 2HG1 ILE 73 3HG1 ILE 73 -3.403 -9.025 -3.895 555 1HG2 ILE 73 1HG2 ILE 73 -4.756 -8.703 -5.943 556 2HG2 ILE 73 2HG2 ILE 73 -6.513 -8.806 -5.858 557 3HG2 ILE 73 3HG2 ILE 73 -5.710 -7.272 -5.492 558 1HD1 ILE 73 1HD1 ILE 73 -4.493 -6.239 -3.231 559 2HD1 ILE 73 2HD1 ILE 73 -2.797 -6.716 -3.083 560 3HD1 ILE 73 3HD1 ILE 73 -3.573 -6.725 -4.673 561 H GLU 74 H GLU 74 -8.833 -6.986 -2.527 562 HA GLU 74 HA GLU 74 -10.385 -8.431 -4.608 563 1HB GLU 74 2HB GLU 74 -11.525 -7.132 -2.094 564 2HB GLU 74 3HB GLU 74 -12.424 -7.849 -3.434 565 1HG GLU 74 2HG GLU 74 -11.166 -10.038 -2.933 566 2HG GLU 74 3HG GLU 74 -10.647 -9.273 -1.420 567 H GLY 75 H GLY 75 -10.931 -7.060 -6.234 568 1HA GLY 75 2HA GLY 75 -11.271 -4.274 -6.189 569 2HA GLY 75 3HA GLY 75 -9.542 -4.597 -6.443 570 H ARG 76 H ARG 76 -9.006 -4.672 -8.627 571 HA ARG 76 HA ARG 76 -10.487 -6.221 -10.537 572 1HB ARG 76 2HB ARG 76 -10.115 -3.194 -10.739 573 2HB ARG 76 3HB ARG 76 -10.286 -4.232 -12.161 574 1HG ARG 76 2HG ARG 76 -12.502 -4.913 -11.543 575 2HG ARG 76 3HG ARG 76 -12.401 -4.102 -9.971 576 1HD ARG 76 2HD ARG 76 -12.302 -1.932 -10.927 577 2HD ARG 76 3HD ARG 76 -12.082 -2.529 -12.561 578 HE ARG 76 HE ARG 76 -14.563 -2.301 -11.007 579 1HH1 ARG 76 2HH2 ARG 76 -13.053 -3.964 -13.711 580 2HH1 ARG 76 1HH2 ARG 76 -14.507 -4.165 -14.641 581 1HH2 ARG 76 2HH1 ARG 76 -16.551 -2.599 -12.166 582 2HH2 ARG 76 1HH1 ARG 76 -16.560 -3.403 -13.701 Start of MODEL 9 1 1H MET 1 H1 MET 1 3.744 2.732 -28.335 2 2H MET 1 H2 MET 1 3.748 4.401 -28.481 3 3H MET 1 H3 MET 1 5.126 3.564 -28.057 4 HA MET 1 HA MET 1 4.344 4.426 -26.065 5 1HB MET 1 2HB MET 1 1.645 3.353 -27.024 6 2HB MET 1 3HB MET 1 1.976 3.817 -25.349 7 1HG MET 1 2HG MET 1 0.982 5.713 -26.249 8 2HG MET 1 3HG MET 1 2.702 6.101 -26.235 9 1HE MET 1 1HE MET 1 2.550 8.117 -27.890 10 2HE MET 1 2HE MET 1 1.446 8.110 -29.287 11 3HE MET 1 3HE MET 1 0.801 7.906 -27.645 12 H LEU 2 H LEU 2 4.432 3.197 -24.140 13 HA LEU 2 HA LEU 2 3.716 0.676 -23.501 14 1HB LEU 2 2HB LEU 2 6.164 0.680 -25.216 15 2HB LEU 2 3HB LEU 2 6.432 -0.065 -23.654 16 HG LEU 2 HG LEU 2 4.043 -0.880 -25.340 17 1HD1 LEU 2 1HD1 LEU 2 6.858 -2.051 -25.392 18 2HD1 LEU 2 2HD1 LEU 2 5.422 -2.758 -26.165 19 3HD1 LEU 2 3HD1 LEU 2 6.047 -1.197 -26.725 20 1HD2 LEU 2 1HD2 LEU 2 4.226 -2.944 -24.005 21 2HD2 LEU 2 2HD2 LEU 2 5.645 -2.300 -23.159 22 3HD2 LEU 2 3HD2 LEU 2 4.053 -1.547 -22.933 23 H SER 3 H SER 3 4.918 0.100 -21.420 24 HA SER 3 HA SER 3 5.701 0.650 -19.384 25 1HB SER 3 2HB SER 3 7.318 2.878 -20.676 26 2HB SER 3 3HB SER 3 7.585 2.096 -19.114 27 HG SER 3 HG SER 3 7.679 0.832 -21.663 28 H GLU 4 H GLU 4 3.749 1.277 -18.407 29 HA GLU 4 HA GLU 4 3.390 4.128 -17.948 30 1HB GLU 4 2HB GLU 4 0.895 3.835 -18.336 31 2HB GLU 4 3HB GLU 4 1.888 3.919 -19.799 32 1HG GLU 4 2HG GLU 4 1.759 1.497 -20.103 33 2HG GLU 4 3HG GLU 4 0.909 1.312 -18.556 34 H GLN 5 H GLN 5 2.245 4.467 -16.057 35 HA GLN 5 HA GLN 5 2.487 2.253 -14.103 36 1HB GLN 5 2HB GLN 5 2.484 4.014 -12.441 37 2HB GLN 5 3HB GLN 5 3.753 4.270 -13.652 38 1HG GLN 5 2HG GLN 5 2.433 6.073 -14.685 39 2HG GLN 5 3HG GLN 5 1.051 5.704 -13.640 40 1HE2 GLN 5 1HE2 GLN 5 3.919 5.314 -11.860 41 2HE2 GLN 5 2HE2 GLN 5 3.779 6.796 -10.964 42 H LYS 6 H LYS 6 0.829 2.512 -12.161 43 HA LYS 6 HA LYS 6 -1.760 3.540 -13.009 44 1HB LYS 6 2HB LYS 6 -1.188 0.589 -13.007 45 2HB LYS 6 3HB LYS 6 -2.587 1.072 -12.072 46 1HG LYS 6 2HG LYS 6 -3.189 2.472 -14.292 47 2HG LYS 6 3HG LYS 6 -2.177 1.223 -15.034 48 1HD LYS 6 2HD LYS 6 -3.594 -0.505 -13.802 49 2HD LYS 6 3HD LYS 6 -4.585 0.830 -13.177 50 1HE LYS 6 2HE LYS 6 -5.078 1.472 -15.604 51 2HE LYS 6 3HE LYS 6 -4.279 -0.031 -16.090 52 1HZ LYS 6 1HZ LYS 6 -5.923 -1.213 -14.724 53 2HZ LYS 6 2HZ LYS 6 -6.669 0.205 -14.367 54 3HZ LYS 6 3HZ LYS 6 -6.635 -0.334 -15.919 55 H GLU 7 H GLU 7 -3.365 3.366 -11.380 56 HA GLU 7 HA GLU 7 -2.414 3.560 -8.599 57 1HB GLU 7 2HB GLU 7 -4.868 4.080 -8.243 58 2HB GLU 7 3HB GLU 7 -3.953 5.288 -9.148 59 1HG GLU 7 2HG GLU 7 -4.928 4.599 -11.250 60 2HG GLU 7 3HG GLU 7 -5.678 3.172 -10.494 61 H ILE 8 H ILE 8 -2.984 2.015 -7.097 62 HA ILE 8 HA ILE 8 -4.907 -0.094 -7.891 63 HB ILE 8 HB ILE 8 -2.197 -0.610 -7.385 64 1HG1 ILE 8 2HG1 ILE 8 -2.961 -3.014 -7.042 65 2HG1 ILE 8 3HG1 ILE 8 -4.620 -2.420 -7.200 66 1HG2 ILE 8 1HG2 ILE 8 -2.023 -1.778 -5.282 67 2HG2 ILE 8 2HG2 ILE 8 -2.456 -0.088 -5.008 68 3HG2 ILE 8 3HG2 ILE 8 -3.694 -1.361 -4.863 69 1HD1 ILE 8 1HD1 ILE 8 -2.372 -2.035 -9.247 70 2HD1 ILE 8 2HD1 ILE 8 -3.638 -3.276 -9.344 71 3HD1 ILE 8 3HD1 ILE 8 -4.069 -1.560 -9.473 72 H ALA 9 H ALA 9 -6.284 -0.602 -6.149 73 HA ALA 9 HA ALA 9 -6.231 1.119 -3.735 74 1HB ALA 9 1HB ALA 9 -8.603 0.891 -5.626 75 2HB ALA 9 2HB ALA 9 -8.593 1.701 -4.044 76 3HB ALA 9 3HB ALA 9 -7.612 2.343 -5.378 77 H MET 10 H MET 10 -6.468 -0.237 -1.988 78 HA MET 10 HA MET 10 -8.135 -2.646 -2.259 79 1HB MET 10 2HB MET 10 -6.290 -4.179 -1.916 80 2HB MET 10 3HB MET 10 -6.069 -3.262 -3.402 81 1HG MET 10 2HG MET 10 -4.664 -1.606 -1.927 82 2HG MET 10 3HG MET 10 -4.683 -2.949 -0.776 83 1HE MET 10 1HE MET 10 -2.326 -1.170 -2.436 84 2HE MET 10 2HE MET 10 -1.874 -2.243 -1.093 85 3HE MET 10 3HE MET 10 -1.088 -2.421 -2.679 86 H GLN 11 H GLN 11 -7.859 -4.028 -0.150 87 HA GLN 11 HA GLN 11 -8.247 -2.065 2.042 88 1HB GLN 11 2HB GLN 11 -9.268 -4.878 2.260 89 2HB GLN 11 3HB GLN 11 -9.791 -3.395 3.015 90 1HG GLN 11 2HG GLN 11 -11.517 -3.821 1.585 91 2HG GLN 11 3HG GLN 11 -10.578 -2.693 0.612 92 1HE2 GLN 11 1HE2 GLN 11 -9.462 -3.573 -1.214 93 2HE2 GLN 11 2HE2 GLN 11 -9.844 -5.109 -1.943 94 H VAL 12 H VAL 12 -7.442 -2.581 4.141 95 HA VAL 12 HA VAL 12 -5.138 -4.480 4.143 96 HB VAL 12 HB VAL 12 -5.149 -2.089 5.959 97 1HG1 VAL 12 1HG1 VAL 12 -2.980 -3.537 4.389 98 2HG1 VAL 12 2HG1 VAL 12 -2.723 -2.235 5.562 99 3HG1 VAL 12 3HG1 VAL 12 -3.331 -3.801 6.116 100 1HG2 VAL 12 1HG2 VAL 12 -3.905 -0.810 4.203 101 2HG2 VAL 12 2HG2 VAL 12 -4.447 -2.023 3.009 102 3HG2 VAL 12 3HG2 VAL 12 -5.629 -0.989 3.860 103 H SER 13 H SER 13 -4.607 -5.382 6.290 104 HA SER 13 HA SER 13 -6.973 -5.597 8.105 105 1HB SER 13 2HB SER 13 -6.367 -7.602 6.636 106 2HB SER 13 3HB SER 13 -4.889 -7.744 7.615 107 HG SER 13 HG SER 13 -6.697 -8.998 8.393 108 H GLY 14 H GLY 14 -6.549 -4.803 10.072 109 1HA GLY 14 2HA GLY 14 -5.356 -5.173 12.105 110 2HA GLY 14 3HA GLY 14 -3.814 -5.060 11.269 111 H MET 15 H MET 15 -5.265 -2.625 9.787 112 HA MET 15 HA MET 15 -4.045 -0.557 11.218 113 1HB MET 15 2HB MET 15 -5.374 0.978 9.857 114 2HB MET 15 3HB MET 15 -4.683 -0.310 8.868 115 1HG MET 15 2HG MET 15 -7.572 -0.397 9.863 116 2HG MET 15 3HG MET 15 -7.068 0.432 8.409 117 1HE MET 15 1HE MET 15 -8.988 -2.422 6.829 118 2HE MET 15 2HE MET 15 -9.378 -1.577 8.341 119 3HE MET 15 3HE MET 15 -8.724 -0.673 6.950 120 H THR 16 H THR 16 -4.687 0.918 12.808 121 HA THR 16 HA THR 16 -7.316 0.433 14.143 122 HB THR 16 HB THR 16 -6.193 1.276 16.127 123 HG1 THR 16 1HG THR 16 -3.927 1.734 15.961 124 1HG2 THR 16 1HG2 THR 16 -4.598 -0.521 16.503 125 2HG2 THR 16 2HG2 THR 16 -5.927 -1.159 15.515 126 3HG2 THR 16 3HG2 THR 16 -4.367 -0.766 14.764 127 H CYS 17 H CYS 17 -6.696 2.259 11.757 128 HA CYS 17 HA CYS 17 -7.372 4.269 10.983 129 1HB CYS 17 2HB CYS 17 -9.389 4.033 12.329 130 2HB CYS 17 3HB CYS 17 -8.573 4.895 13.663 131 HG CYS 17 HG CYS 17 -10.208 6.486 12.333 132 H ALA 18 H ALA 18 -6.089 4.635 14.299 133 HA ALA 18 HA ALA 18 -4.948 7.177 14.098 134 1HB ALA 18 1HB ALA 18 -4.082 4.776 15.755 135 2HB ALA 18 2HB ALA 18 -3.610 6.464 16.051 136 3HB ALA 18 3HB ALA 18 -5.312 5.979 16.195 137 H ALA 19 H ALA 19 -4.108 7.102 11.887 138 HA ALA 19 HA ALA 19 -2.359 7.501 10.515 139 1HB ALA 19 1HB ALA 19 -0.165 7.965 11.472 140 2HB ALA 19 2HB ALA 19 -1.432 8.627 12.521 141 3HB ALA 19 3HB ALA 19 -0.599 7.123 12.971 142 H CYS 20 H CYS 20 -3.125 4.588 11.301 143 HA CYS 20 HA CYS 20 -0.674 3.094 11.325 144 1HB CYS 20 2HB CYS 20 -3.622 2.402 11.202 145 2HB CYS 20 3HB CYS 20 -2.418 1.153 10.777 146 HG CYS 20 HG CYS 20 -2.550 2.974 13.516 147 H ALA 21 H ALA 21 -3.283 2.971 8.860 148 HA ALA 21 HA ALA 21 -1.698 1.604 6.967 149 1HB ALA 21 1HB ALA 21 -4.054 1.521 6.815 150 2HB ALA 21 2HB ALA 21 -4.152 3.275 6.492 151 3HB ALA 21 3HB ALA 21 -3.389 2.182 5.316 152 H ALA 22 H ALA 22 -1.933 5.012 7.721 153 HA ALA 22 HA ALA 22 -0.634 6.024 5.411 154 1HB ALA 22 1HB ALA 22 -0.090 7.956 6.936 155 2HB ALA 22 2HB ALA 22 -1.789 7.447 7.092 156 3HB ALA 22 3HB ALA 22 -0.623 6.984 8.327 157 H ARG 23 H ARG 23 0.819 4.965 8.603 158 HA ARG 23 HA ARG 23 3.530 5.379 7.618 159 1HB ARG 23 2HB ARG 23 2.793 3.396 9.783 160 2HB ARG 23 3HB ARG 23 4.306 4.266 9.524 161 1HG ARG 23 2HG ARG 23 2.393 6.329 9.905 162 2HG ARG 23 3HG ARG 23 1.880 5.020 10.978 163 1HD ARG 23 2HD ARG 23 3.248 6.310 12.307 164 2HD ARG 23 3HD ARG 23 4.274 4.930 11.855 165 HE ARG 23 HE ARG 23 4.671 6.988 9.946 166 1HH1 ARG 23 2HH2 ARG 23 5.288 6.392 13.358 167 2HH1 ARG 23 1HH2 ARG 23 6.508 7.615 13.538 168 1HH2 ARG 23 2HH1 ARG 23 6.268 8.673 10.141 169 2HH2 ARG 23 1HH1 ARG 23 7.085 8.932 11.646 170 H ILE 24 H ILE 24 1.411 2.513 7.779 171 HA ILE 24 HA ILE 24 3.181 0.581 6.794 172 HB ILE 24 HB ILE 24 0.230 0.980 6.197 173 1HG1 ILE 24 2HG1 ILE 24 1.415 -1.064 8.058 174 2HG1 ILE 24 3HG1 ILE 24 1.119 0.553 8.676 175 1HG2 ILE 24 1HG2 ILE 24 1.997 -1.450 5.726 176 2HG2 ILE 24 2HG2 ILE 24 0.230 -1.495 5.689 177 3HG2 ILE 24 3HG2 ILE 24 1.095 -0.513 4.512 178 1HD1 ILE 24 1HD1 ILE 24 -1.173 0.332 8.633 179 2HD1 ILE 24 2HD1 ILE 24 -1.187 -0.751 7.227 180 3HD1 ILE 24 3HD1 ILE 24 -0.764 -1.335 8.827 181 H GLU 25 H GLU 25 0.968 2.678 4.859 182 HA GLU 25 HA GLU 25 2.005 1.649 2.469 183 1HB GLU 25 2HB GLU 25 -0.268 3.075 3.072 184 2HB GLU 25 3HB GLU 25 0.697 4.361 2.395 185 1HG GLU 25 2HG GLU 25 1.050 2.127 0.626 186 2HG GLU 25 3HG GLU 25 -0.656 2.183 0.989 187 H LYS 26 H LYS 26 2.751 4.657 4.357 188 HA LYS 26 HA LYS 26 4.416 5.877 2.453 189 1HB LYS 26 2HB LYS 26 4.266 5.875 5.474 190 2HB LYS 26 3HB LYS 26 5.621 6.641 4.693 191 1HG LYS 26 2HG LYS 26 2.725 7.337 4.057 192 2HG LYS 26 3HG LYS 26 3.738 8.189 5.230 193 1HD LYS 26 2HD LYS 26 5.439 8.509 3.255 194 2HD LYS 26 3HD LYS 26 4.133 7.968 2.209 195 1HE LYS 26 2HE LYS 26 3.942 10.303 2.122 196 2HE LYS 26 3HE LYS 26 2.680 9.827 3.262 197 1HZ LYS 26 1HZ LYS 26 5.358 10.879 3.944 198 2HZ LYS 26 2HZ LYS 26 3.937 11.692 4.063 199 3HZ LYS 26 3HZ LYS 26 4.232 10.411 5.048 200 H GLY 27 H GLY 27 5.057 3.162 4.633 201 1HA GLY 27 2HA GLY 27 7.810 2.762 4.083 202 2HA GLY 27 3HA GLY 27 6.593 1.519 4.385 203 H LEU 28 H LEU 28 4.880 1.807 2.140 204 HA LEU 28 HA LEU 28 6.405 0.612 0.016 205 1HB LEU 28 2HB LEU 28 3.583 1.701 -0.019 206 2HB LEU 28 3HB LEU 28 4.332 0.731 -1.273 207 HG LEU 28 HG LEU 28 3.989 -0.251 1.572 208 1HD1 LEU 28 1HD1 LEU 28 1.832 -0.009 0.765 209 2HD1 LEU 28 2HD1 LEU 28 2.254 -0.391 -0.906 210 3HD1 LEU 28 3HD1 LEU 28 2.214 -1.672 0.314 211 1HD2 LEU 28 1HD2 LEU 28 4.364 -2.502 0.235 212 2HD2 LEU 28 2HD2 LEU 28 5.212 -1.457 -0.912 213 3HD2 LEU 28 3HD2 LEU 28 5.736 -1.529 0.762 214 H LYS 29 H LYS 29 5.221 3.922 0.607 215 HA LYS 29 HA LYS 29 5.972 4.952 -1.928 216 1HB LYS 29 2HB LYS 29 4.649 6.325 -0.693 217 2HB LYS 29 3HB LYS 29 5.698 6.376 0.706 218 1HG LYS 29 2HG LYS 29 7.416 7.611 -0.494 219 2HG LYS 29 3HG LYS 29 6.537 7.445 -2.019 220 1HD LYS 29 2HD LYS 29 5.624 9.023 0.426 221 2HD LYS 29 3HD LYS 29 6.369 9.673 -1.042 222 1HE LYS 29 2HE LYS 29 4.271 8.153 -2.073 223 2HE LYS 29 3HE LYS 29 3.571 8.748 -0.576 224 1HZ LYS 29 1HZ LYS 29 4.228 11.022 -1.355 225 2HZ LYS 29 2HZ LYS 29 4.672 10.349 -2.805 226 3HZ LYS 29 3HZ LYS 29 3.129 10.287 -2.296 227 H ARG 30 H ARG 30 8.018 3.645 0.526 228 HA ARG 30 HA ARG 30 10.439 4.723 -0.867 229 1HB ARG 30 2HB ARG 30 9.810 3.636 1.841 230 2HB ARG 30 3HB ARG 30 11.428 3.343 1.232 231 1HG ARG 30 2HG ARG 30 11.999 5.614 1.211 232 2HG ARG 30 3HG ARG 30 10.353 6.110 0.840 233 1HD ARG 30 2HD ARG 30 10.307 6.907 2.871 234 2HD ARG 30 3HD ARG 30 9.845 5.292 3.355 235 HE ARG 30 HE ARG 30 12.244 6.804 3.959 236 1HH1 ARG 30 2HH2 ARG 30 11.211 3.506 3.426 237 2HH1 ARG 30 1HH2 ARG 30 12.353 2.770 4.515 238 1HH2 ARG 30 2HH1 ARG 30 13.770 5.920 5.442 239 2HH2 ARG 30 1HH1 ARG 30 13.863 4.208 5.690 240 H MET 31 H MET 31 8.457 2.213 -1.690 241 HA MET 31 HA MET 31 10.718 0.423 -2.356 242 1HB MET 31 2HB MET 31 7.763 0.259 -3.056 243 2HB MET 31 3HB MET 31 8.998 -0.837 -3.661 244 1HG MET 31 2HG MET 31 9.480 -0.891 -0.925 245 2HG MET 31 3HG MET 31 7.740 -0.737 -1.023 246 1HE MET 31 1HE MET 31 10.177 -4.362 -2.506 247 2HE MET 31 2HE MET 31 10.298 -2.809 -3.353 248 3HE MET 31 3HE MET 31 10.856 -2.948 -1.667 249 HA PRO 32 HA PRO 32 11.643 2.641 -6.116 250 1HB PRO 32 2HB PRO 32 12.869 0.680 -7.602 251 2HB PRO 32 3HB PRO 32 13.620 1.417 -6.161 252 1HG PRO 32 2HG PRO 32 12.049 -1.180 -6.311 253 2HG PRO 32 3HG PRO 32 13.659 -0.922 -5.582 254 1HD PRO 32 2HD PRO 32 11.428 -0.911 -4.072 255 2HD PRO 32 3HD PRO 32 12.712 0.294 -3.753 256 H GLY 33 H GLY 33 9.640 3.160 -7.181 257 1HA GLY 33 2HA GLY 33 8.930 2.491 -9.607 258 2HA GLY 33 3HA GLY 33 8.351 1.045 -8.814 259 H VAL 34 H VAL 34 7.858 2.798 -6.306 260 HA VAL 34 HA VAL 34 5.106 3.443 -6.820 261 HB VAL 34 HB VAL 34 6.191 2.627 -4.694 262 1HG1 VAL 34 1HG1 VAL 34 6.880 5.511 -4.088 263 2HG1 VAL 34 2HG1 VAL 34 7.492 3.990 -3.382 264 3HG1 VAL 34 3HG1 VAL 34 8.050 4.513 -4.953 265 1HG2 VAL 34 1HG2 VAL 34 4.510 5.143 -4.352 266 2HG2 VAL 34 2HG2 VAL 34 3.881 3.553 -4.828 267 3HG2 VAL 34 3HG2 VAL 34 4.642 3.751 -3.253 268 H THR 35 H THR 35 4.121 5.485 -6.835 269 HA THR 35 HA THR 35 5.892 7.858 -7.272 270 HB THR 35 HB THR 35 3.208 8.316 -8.250 271 HG1 THR 35 1HG THR 35 4.495 5.957 -9.123 272 1HG2 THR 35 1HG2 THR 35 4.390 8.798 -10.338 273 2HG2 THR 35 2HG2 THR 35 5.265 9.503 -8.971 274 3HG2 THR 35 3HG2 THR 35 5.863 8.008 -9.728 275 H ASP 36 H ASP 36 2.607 6.878 -6.056 276 HA ASP 36 HA ASP 36 3.057 8.703 -3.832 277 1HB ASP 36 2HB ASP 36 2.097 10.166 -5.626 278 2HB ASP 36 3HB ASP 36 0.645 9.147 -5.618 279 H ALA 37 H ALA 37 1.584 8.625 -2.173 280 HA ALA 37 HA ALA 37 0.261 5.991 -1.802 281 1HB ALA 37 1HB ALA 37 1.447 8.017 0.191 282 2HB ALA 37 2HB ALA 37 0.636 6.526 0.667 283 3HB ALA 37 3HB ALA 37 2.172 6.446 -0.222 284 H ASN 38 H ASN 38 -1.892 6.026 -0.908 285 HA ASN 38 HA ASN 38 -3.049 8.649 -0.222 286 1HB ASN 38 2HB ASN 38 -3.239 7.753 -2.934 287 2HB ASN 38 3HB ASN 38 -4.834 7.540 -2.223 288 1HD2 ASN 38 1HD2 ASN 38 -2.147 9.984 -2.209 289 2HD2 ASN 38 2HD2 ASN 38 -3.225 11.350 -2.423 290 H VAL 39 H VAL 39 -3.379 7.857 1.758 291 HA VAL 39 HA VAL 39 -4.708 5.314 2.191 292 HB VAL 39 HB VAL 39 -2.786 6.285 3.502 293 1HG1 VAL 39 1HG1 VAL 39 -4.919 7.948 4.907 294 2HG1 VAL 39 2HG1 VAL 39 -3.190 7.860 5.269 295 3HG1 VAL 39 3HG1 VAL 39 -3.730 8.615 3.765 296 1HG2 VAL 39 1HG2 VAL 39 -3.715 5.471 5.689 297 2HG2 VAL 39 2HG2 VAL 39 -5.294 5.342 4.881 298 3HG2 VAL 39 3HG2 VAL 39 -3.927 4.369 4.307 299 H ASN 40 H ASN 40 -6.844 4.900 2.714 300 HA ASN 40 HA ASN 40 -8.609 7.171 3.318 301 1HB ASN 40 2HB ASN 40 -8.675 6.633 0.854 302 2HB ASN 40 3HB ASN 40 -9.285 5.022 1.265 303 1HD2 ASN 40 1HD2 ASN 40 -11.190 5.831 -0.083 304 2HD2 ASN 40 2HD2 ASN 40 -12.452 6.615 0.851 305 H LEU 41 H LEU 41 -7.978 6.085 5.418 306 HA LEU 41 HA LEU 41 -9.142 3.554 6.064 307 1HB LEU 41 2HB LEU 41 -8.294 5.881 7.843 308 2HB LEU 41 3HB LEU 41 -8.792 4.295 8.452 309 HG LEU 41 HG LEU 41 -6.482 4.829 6.562 310 1HD1 LEU 41 1HD1 LEU 41 -4.967 4.450 8.296 311 2HD1 LEU 41 2HD1 LEU 41 -6.212 5.450 9.054 312 3HD1 LEU 41 3HD1 LEU 41 -6.175 3.680 9.324 313 1HD2 LEU 41 1HD2 LEU 41 -6.054 2.284 7.355 314 2HD2 LEU 41 2HD2 LEU 41 -7.807 2.314 7.539 315 3HD2 LEU 41 3HD2 LEU 41 -7.070 2.647 5.954 316 H ALA 42 H ALA 42 -10.654 6.585 5.593 317 HA ALA 42 HA ALA 42 -13.018 6.204 7.179 318 1HB ALA 42 1HB ALA 42 -12.730 7.508 4.440 319 2HB ALA 42 2HB ALA 42 -14.069 7.717 5.577 320 3HB ALA 42 3HB ALA 42 -12.455 8.329 5.993 321 H THR 43 H THR 43 -11.766 4.734 4.233 322 HA THR 43 HA THR 43 -14.208 3.047 3.951 323 HB THR 43 HB THR 43 -12.121 3.817 1.863 324 HG1 THR 43 1HG THR 43 -14.554 5.018 2.621 325 1HG2 THR 43 1HG2 THR 43 -13.332 1.880 1.098 326 2HG2 THR 43 2HG2 THR 43 -14.877 2.540 1.682 327 3HG2 THR 43 3HG2 THR 43 -14.042 3.283 0.297 328 H GLU 44 H GLU 44 -11.634 2.808 5.721 329 HA GLU 44 HA GLU 44 -10.033 1.291 6.251 330 1HB GLU 44 2HB GLU 44 -12.303 -0.522 5.325 331 2HB GLU 44 3HB GLU 44 -10.930 -1.062 6.276 332 1HG GLU 44 2HG GLU 44 -11.501 0.540 8.078 333 2HG GLU 44 3HG GLU 44 -12.908 1.087 7.150 334 H THR 45 H THR 45 -9.523 2.374 3.660 335 HA THR 45 HA THR 45 -8.314 0.095 2.190 336 HB THR 45 HB THR 45 -10.466 2.052 1.268 337 HG1 THR 45 1HG THR 45 -11.250 0.149 2.048 338 1HG2 THR 45 1HG2 THR 45 -10.260 1.114 -1.008 339 2HG2 THR 45 2HG2 THR 45 -8.886 2.133 -0.560 340 3HG2 THR 45 3HG2 THR 45 -8.732 0.364 -0.560 341 H VAL 46 H VAL 46 -6.624 0.699 0.817 342 HA VAL 46 HA VAL 46 -5.870 3.585 0.874 343 HB VAL 46 HB VAL 46 -4.603 2.594 2.626 344 1HG1 VAL 46 1HG1 VAL 46 -4.703 0.206 1.986 345 2HG1 VAL 46 2HG1 VAL 46 -3.615 0.506 0.622 346 3HG1 VAL 46 3HG1 VAL 46 -3.036 0.719 2.287 347 1HG2 VAL 46 1HG2 VAL 46 -2.709 2.719 0.251 348 2HG2 VAL 46 2HG2 VAL 46 -3.444 4.169 0.916 349 3HG2 VAL 46 3HG2 VAL 46 -2.407 3.190 1.947 350 H ASN 47 H ASN 47 -4.666 4.306 -0.892 351 HA ASN 47 HA ASN 47 -4.766 2.545 -3.246 352 1HB ASN 47 2HB ASN 47 -6.624 4.091 -3.459 353 2HB ASN 47 3HB ASN 47 -5.618 5.453 -2.963 354 1HD2 ASN 47 1HD2 ASN 47 -3.690 5.989 -4.446 355 2HD2 ASN 47 2HD2 ASN 47 -4.008 5.809 -6.169 356 H VAL 48 H VAL 48 -2.865 2.457 -4.320 357 HA VAL 48 HA VAL 48 -0.830 4.545 -3.745 358 HB VAL 48 HB VAL 48 -0.306 2.734 -2.264 359 1HG1 VAL 48 1HG1 VAL 48 -0.264 0.922 -4.688 360 2HG1 VAL 48 2HG1 VAL 48 0.398 0.516 -3.085 361 3HG1 VAL 48 3HG1 VAL 48 -1.329 0.835 -3.259 362 1HG2 VAL 48 1HG2 VAL 48 1.548 3.984 -3.340 363 2HG2 VAL 48 2HG2 VAL 48 2.003 2.321 -2.956 364 3HG2 VAL 48 3HG2 VAL 48 1.615 2.764 -4.630 365 H ILE 49 H ILE 49 0.323 5.168 -5.454 366 HA ILE 49 HA ILE 49 -0.397 4.022 -8.108 367 HB ILE 49 HB ILE 49 0.947 6.681 -7.552 368 1HG1 ILE 49 2HG1 ILE 49 -2.011 6.030 -7.912 369 2HG1 ILE 49 3HG1 ILE 49 -1.241 6.779 -6.505 370 1HG2 ILE 49 1HG2 ILE 49 -0.538 5.660 -10.015 371 2HG2 ILE 49 2HG2 ILE 49 0.415 7.154 -9.878 372 3HG2 ILE 49 3HG2 ILE 49 1.223 5.595 -9.838 373 1HD1 ILE 49 1HD1 ILE 49 -2.316 8.522 -7.725 374 2HD1 ILE 49 2HD1 ILE 49 -0.565 8.712 -7.976 375 3HD1 ILE 49 3HD1 ILE 49 -1.587 8.014 -9.257 376 H TYR 50 H TYR 50 1.125 2.869 -9.206 377 HA TYR 50 HA TYR 50 3.948 3.331 -8.697 378 1HB TYR 50 2HB TYR 50 4.359 0.849 -8.264 379 2HB TYR 50 3HB TYR 50 3.709 1.748 -6.932 380 HD1 TYR 50 HD1 TYR 50 2.471 -0.276 -9.930 381 HD2 TYR 50 HD2 TYR 50 2.017 0.596 -5.728 382 HE1 TYR 50 HE1 TYR 50 0.752 -1.992 -9.775 383 HE2 TYR 50 HE2 TYR 50 0.402 -1.279 -5.547 384 HH TYR 50 HH TYR 50 -0.649 -3.187 -8.322 385 H ASP 51 H ASP 51 5.327 1.873 -10.033 386 HA ASP 51 HA ASP 51 4.087 1.582 -12.685 387 1HB ASP 51 2HB ASP 51 5.953 3.154 -12.203 388 2HB ASP 51 3HB ASP 51 7.010 1.787 -11.938 389 HA PRO 52 HA PRO 52 4.624 -2.900 -11.828 390 1HB PRO 52 2HB PRO 52 3.477 -3.912 -14.043 391 2HB PRO 52 3HB PRO 52 2.533 -3.118 -12.751 392 1HG PRO 52 2HG PRO 52 3.527 -1.872 -15.331 393 2HG PRO 52 3HG PRO 52 1.861 -1.840 -14.680 394 1HD PRO 52 2HD PRO 52 3.631 0.185 -14.314 395 2HD PRO 52 3HD PRO 52 2.469 -0.250 -13.015 396 H ALA 53 H ALA 53 6.555 -0.976 -13.713 397 HA ALA 53 HA ALA 53 7.871 -3.133 -15.257 398 1HB ALA 53 1HB ALA 53 8.790 -0.291 -14.628 399 2HB ALA 53 2HB ALA 53 9.523 -1.413 -15.787 400 3HB ALA 53 3HB ALA 53 7.886 -0.789 -16.075 401 H GLU 54 H GLU 54 8.384 -1.131 -12.392 402 HA GLU 54 HA GLU 54 10.606 -2.816 -11.367 403 1HB GLU 54 2HB GLU 54 9.322 -0.194 -10.469 404 2HB GLU 54 3HB GLU 54 10.661 -0.994 -9.661 405 1HG GLU 54 2HG GLU 54 12.032 -0.767 -11.736 406 2HG GLU 54 3HG GLU 54 10.697 0.128 -12.490 407 H THR 55 H THR 55 7.265 -1.920 -10.769 408 HA THR 55 HA THR 55 7.056 -3.465 -8.302 409 HB THR 55 HB THR 55 6.963 -0.536 -8.599 410 HG1 THR 55 1HG THR 55 8.854 -2.200 -7.965 411 1HG2 THR 55 1HG2 THR 55 6.587 -0.606 -6.093 412 2HG2 THR 55 2HG2 THR 55 5.218 -1.014 -7.134 413 3HG2 THR 55 3HG2 THR 55 6.108 -2.335 -6.283 414 H GLY 56 H GLY 56 5.284 -4.310 -7.732 415 1HA GLY 56 2HA GLY 56 3.031 -2.708 -7.633 416 2HA GLY 56 3HA GLY 56 2.676 -4.063 -8.744 417 H THR 57 H THR 57 1.196 -4.523 -7.042 418 HA THR 57 HA THR 57 1.251 -5.187 -4.500 419 HB THR 57 HB THR 57 -0.701 -5.309 -5.646 420 HG1 THR 57 1HG THR 57 -0.230 -7.999 -4.921 421 1HG2 THR 57 1HG2 THR 57 0.399 -7.530 -7.399 422 2HG2 THR 57 2HG2 THR 57 -1.315 -7.082 -7.275 423 3HG2 THR 57 3HG2 THR 57 -0.151 -5.909 -7.886 424 H ALA 58 H ALA 58 2.799 -7.335 -6.931 425 HA ALA 58 HA ALA 58 3.507 -9.502 -5.319 426 1HB ALA 58 1HB ALA 58 3.991 -9.390 -7.718 427 2HB ALA 58 2HB ALA 58 5.160 -8.078 -7.451 428 3HB ALA 58 3HB ALA 58 5.484 -9.700 -6.812 429 H ALA 59 H ALA 59 5.218 -6.342 -5.540 430 HA ALA 59 HA ALA 59 7.401 -7.280 -3.733 431 1HB ALA 59 1HB ALA 59 7.951 -5.794 -5.668 432 2HB ALA 59 2HB ALA 59 6.852 -4.557 -5.018 433 3HB ALA 59 3HB ALA 59 8.306 -5.020 -4.112 434 H ILE 60 H ILE 60 4.498 -5.422 -3.896 435 HA ILE 60 HA ILE 60 4.900 -3.987 -1.478 436 HB ILE 60 HB ILE 60 2.965 -4.174 -3.695 437 1HG1 ILE 60 2HG1 ILE 60 3.467 -1.696 -2.186 438 2HG1 ILE 60 3HG1 ILE 60 4.904 -2.444 -2.910 439 1HG2 ILE 60 1HG2 ILE 60 1.923 -3.354 -0.988 440 2HG2 ILE 60 2HG2 ILE 60 1.220 -2.844 -2.541 441 3HG2 ILE 60 3HG2 ILE 60 1.265 -4.560 -2.104 442 1HD1 ILE 60 1HD1 ILE 60 2.437 -1.798 -4.508 443 2HD1 ILE 60 2HD1 ILE 60 3.930 -0.817 -4.429 444 3HD1 ILE 60 3HD1 ILE 60 3.982 -2.454 -5.096 445 H GLN 61 H GLN 61 2.783 -6.882 -2.106 446 HA GLN 61 HA GLN 61 1.865 -7.114 0.572 447 1HB GLN 61 2HB GLN 61 2.426 -9.104 -1.606 448 2HB GLN 61 3HB GLN 61 2.274 -9.659 0.072 449 1HG GLN 61 2HG GLN 61 0.170 -9.988 -0.633 450 2HG GLN 61 3HG GLN 61 0.032 -8.432 0.178 451 1HE2 GLN 61 1HE2 GLN 61 0.433 -6.474 -1.451 452 2HE2 GLN 61 2HE2 GLN 61 -0.334 -6.705 -3.031 453 H GLU 62 H GLU 62 4.857 -8.365 -0.937 454 HA GLU 62 HA GLU 62 6.043 -9.604 1.210 455 1HB GLU 62 2HB GLU 62 6.807 -8.855 -1.361 456 2HB GLU 62 3HB GLU 62 7.872 -7.821 -0.421 457 1HG GLU 62 2HG GLU 62 7.619 -10.845 -0.091 458 2HG GLU 62 3HG GLU 62 8.788 -10.031 -1.140 459 H LYS 63 H LYS 63 6.478 -6.103 0.443 460 HA LYS 63 HA LYS 63 7.834 -5.736 2.964 461 1HB LYS 63 2HB LYS 63 7.167 -4.167 0.553 462 2HB LYS 63 3HB LYS 63 6.943 -3.253 2.030 463 1HG LYS 63 2HG LYS 63 9.246 -3.004 1.243 464 2HG LYS 63 3HG LYS 63 9.217 -3.878 2.790 465 1HD LYS 63 2HD LYS 63 9.228 -6.071 1.297 466 2HD LYS 63 3HD LYS 63 9.678 -5.021 -0.020 467 1HE LYS 63 2HE LYS 63 11.147 -5.401 2.646 468 2HE LYS 63 3HE LYS 63 11.569 -6.193 1.125 469 1HZ LYS 63 1HZ LYS 63 12.061 -4.059 0.186 470 2HZ LYS 63 2HZ LYS 63 11.620 -3.279 1.571 471 3HZ LYS 63 3HZ LYS 63 12.938 -4.267 1.560 472 H ILE 64 H ILE 64 4.434 -5.305 1.988 473 HA ILE 64 HA ILE 64 3.512 -3.904 4.193 474 HB ILE 64 HB ILE 64 2.219 -5.946 2.384 475 1HG1 ILE 64 2HG1 ILE 64 2.773 -3.639 1.487 476 2HG1 ILE 64 3HG1 ILE 64 1.092 -4.168 1.380 477 1HG2 ILE 64 1HG2 ILE 64 0.063 -4.977 3.414 478 2HG2 ILE 64 2HG2 ILE 64 0.909 -6.270 4.251 479 3HG2 ILE 64 3HG2 ILE 64 1.072 -4.571 4.806 480 1HD1 ILE 64 1HD1 ILE 64 0.721 -2.807 3.545 481 2HD1 ILE 64 2HD1 ILE 64 2.346 -2.141 3.218 482 3HD1 ILE 64 3HD1 ILE 64 1.004 -1.938 2.061 483 H GLU 65 H GLU 65 3.945 -7.482 3.706 484 HA GLU 65 HA GLU 65 3.040 -8.443 6.213 485 1HB GLU 65 2HB GLU 65 5.022 -9.322 4.141 486 2HB GLU 65 3HB GLU 65 4.951 -10.181 5.685 487 1HG GLU 65 2HG GLU 65 2.401 -9.678 4.125 488 2HG GLU 65 3HG GLU 65 3.496 -10.981 3.648 489 H LYS 66 H LYS 66 6.271 -7.089 5.283 490 HA LYS 66 HA LYS 66 7.349 -7.576 7.876 491 1HB LYS 66 2HB LYS 66 8.380 -7.073 5.389 492 2HB LYS 66 3HB LYS 66 8.557 -5.470 6.138 493 1HG LYS 66 2HG LYS 66 9.607 -6.672 8.149 494 2HG LYS 66 3HG LYS 66 9.447 -8.176 7.217 495 1HD LYS 66 2HD LYS 66 10.866 -6.848 5.396 496 2HD LYS 66 3HD LYS 66 11.311 -5.842 6.802 497 1HE LYS 66 2HE LYS 66 11.624 -8.246 7.946 498 2HE LYS 66 3HE LYS 66 11.768 -8.816 6.281 499 1HZ LYS 66 1HZ LYS 66 13.605 -7.249 6.000 500 2HZ LYS 66 2HZ LYS 66 13.490 -6.805 7.586 501 3HZ LYS 66 3HZ LYS 66 13.906 -8.343 7.188 502 H LEU 67 H LEU 67 5.759 -4.732 6.352 503 HA LEU 67 HA LEU 67 6.138 -2.920 8.508 504 1HB LEU 67 2HB LEU 67 4.025 -3.340 6.366 505 2HB LEU 67 3HB LEU 67 3.715 -2.215 7.651 506 HG LEU 67 HG LEU 67 4.489 -1.099 5.745 507 1HD1 LEU 67 1HD1 LEU 67 5.218 -0.332 8.070 508 2HD1 LEU 67 2HD1 LEU 67 6.822 -1.008 7.680 509 3HD1 LEU 67 3HD1 LEU 67 6.156 0.316 6.707 510 1HD2 LEU 67 1HD2 LEU 67 5.757 -2.601 4.499 511 2HD2 LEU 67 2HD2 LEU 67 6.787 -1.220 4.857 512 3HD2 LEU 67 3HD2 LEU 67 7.024 -2.730 5.758 513 H GLY 68 H GLY 68 4.354 -5.924 8.355 514 1HA GLY 68 2HA GLY 68 3.867 -7.081 10.317 515 2HA GLY 68 3HA GLY 68 3.634 -5.574 11.210 516 H TYR 69 H TYR 69 2.229 -6.039 7.956 517 HA TYR 69 HA TYR 69 -0.494 -6.575 9.094 518 1HB TYR 69 2HB TYR 69 0.216 -4.217 7.307 519 2HB TYR 69 3HB TYR 69 -1.396 -4.679 7.847 520 HD1 TYR 69 HD1 TYR 69 1.883 -3.355 8.936 521 HD2 TYR 69 HD2 TYR 69 -2.241 -3.944 9.986 522 HE1 TYR 69 HE1 TYR 69 2.181 -1.861 10.847 523 HE2 TYR 69 HE2 TYR 69 -2.001 -2.299 11.826 524 HH TYR 69 HH TYR 69 1.102 -0.671 12.528 525 H HIS 70 H HIS 70 -2.012 -6.811 7.369 526 HA HIS 70 HA HIS 70 -0.832 -8.423 5.136 527 1HB HIS 70 2HB HIS 70 -1.564 -9.960 6.713 528 2HB HIS 70 3HB HIS 70 -2.889 -8.955 7.277 529 HD1 HIS 70 1HD HIS 70 -2.724 -12.091 5.881 530 HD2 HIS 70 2HD HIS 70 -4.865 -8.565 5.293 531 HE1 HIS 70 1HE HIS 70 -5.041 -12.786 5.052 532 H VAL 71 H VAL 71 -1.362 -7.463 3.281 533 HA VAL 71 HA VAL 71 -3.849 -5.796 3.137 534 HB VAL 71 HB VAL 71 -1.769 -4.653 2.473 535 1HG1 VAL 71 1HG1 VAL 71 -0.593 -6.526 1.323 536 2HG1 VAL 71 2HG1 VAL 71 -1.850 -6.515 0.054 537 3HG1 VAL 71 3HG1 VAL 71 -0.789 -5.117 0.262 538 1HG2 VAL 71 1HG2 VAL 71 -2.655 -3.609 0.505 539 2HG2 VAL 71 2HG2 VAL 71 -3.839 -4.914 0.302 540 3HG2 VAL 71 3HG2 VAL 71 -3.893 -3.849 1.730 541 H VAL 72 H VAL 72 -5.489 -6.253 1.653 542 HA VAL 72 HA VAL 72 -5.345 -9.015 0.475 543 HB VAL 72 HB VAL 72 -7.753 -8.916 0.314 544 1HG1 VAL 72 1HG1 VAL 72 -6.745 -9.867 2.366 545 2HG1 VAL 72 2HG1 VAL 72 -6.825 -8.260 3.136 546 3HG1 VAL 72 3HG1 VAL 72 -8.319 -9.095 2.680 547 1HG2 VAL 72 1HG2 VAL 72 -9.131 -7.239 1.273 548 2HG2 VAL 72 2HG2 VAL 72 -7.743 -6.420 1.992 549 3HG2 VAL 72 3HG2 VAL 72 -7.995 -6.366 0.227 550 H ILE 73 H ILE 73 -6.278 -9.235 -1.712 551 HA ILE 73 HA ILE 73 -6.264 -6.734 -3.347 552 HB ILE 73 HB ILE 73 -5.113 -9.442 -4.154 553 1HG1 ILE 73 2HG1 ILE 73 -3.654 -8.391 -2.439 554 2HG1 ILE 73 3HG1 ILE 73 -2.916 -8.565 -4.015 555 1HG2 ILE 73 1HG2 ILE 73 -5.156 -6.724 -5.542 556 2HG2 ILE 73 2HG2 ILE 73 -4.185 -8.110 -6.078 557 3HG2 ILE 73 3HG2 ILE 73 -5.947 -8.209 -6.083 558 1HD1 ILE 73 1HD1 ILE 73 -4.201 -5.952 -3.120 559 2HD1 ILE 73 2HD1 ILE 73 -2.506 -6.348 -2.830 560 3HD1 ILE 73 3HD1 ILE 73 -3.111 -6.209 -4.491 561 H GLU 74 H GLU 74 -8.524 -6.814 -2.854 562 HA GLU 74 HA GLU 74 -9.992 -8.693 -4.639 563 1HB GLU 74 2HB GLU 74 -10.291 -8.600 -1.869 564 2HB GLU 74 3HB GLU 74 -11.560 -7.502 -2.419 565 1HG GLU 74 2HG GLU 74 -12.424 -9.287 -3.921 566 2HG GLU 74 3HG GLU 74 -11.096 -10.354 -3.421 567 H GLY 75 H GLY 75 -10.688 -7.592 -6.324 568 1HA GLY 75 2HA GLY 75 -11.614 -5.927 -7.617 569 2HA GLY 75 3HA GLY 75 -11.713 -4.838 -6.224 570 H ARG 76 H ARG 76 -10.549 -4.491 -9.099 571 HA ARG 76 HA ARG 76 -8.454 -2.771 -8.593 572 1HB ARG 76 2HB ARG 76 -6.572 -3.978 -9.581 573 2HB ARG 76 3HB ARG 76 -7.111 -4.858 -8.154 574 1HG ARG 76 2HG ARG 76 -8.617 -6.181 -9.896 575 2HG ARG 76 3HG ARG 76 -7.518 -5.487 -11.089 576 1HD ARG 76 2HD ARG 76 -6.125 -6.757 -8.783 577 2HD ARG 76 3HD ARG 76 -7.202 -7.879 -9.591 578 HE ARG 76 HE ARG 76 -4.660 -7.003 -10.494 579 1HH1 ARG 76 2HH2 ARG 76 -7.878 -7.503 -11.791 580 2HH1 ARG 76 1HH2 ARG 76 -7.375 -8.142 -13.326 581 1HH2 ARG 76 2HH1 ARG 76 -3.903 -7.883 -12.508 582 2HH2 ARG 76 1HH1 ARG 76 -5.033 -8.342 -13.741 Start of MODEL 10 1 1H MET 1 H1 MET 1 4.454 -0.438 -26.335 2 2H MET 1 H2 MET 1 3.280 -0.083 -27.469 3 3H MET 1 H3 MET 1 4.862 0.397 -27.670 4 HA MET 1 HA MET 1 3.839 2.327 -26.904 5 1HB MET 1 2HB MET 1 2.559 0.435 -24.873 6 2HB MET 1 3HB MET 1 2.557 2.193 -24.696 7 1HG MET 1 2HG MET 1 1.359 2.459 -26.815 8 2HG MET 1 3HG MET 1 1.324 0.703 -27.048 9 1HE MET 1 1HE MET 1 -1.281 0.926 -27.491 10 2HE MET 1 2HE MET 1 -2.403 1.665 -26.323 11 3HE MET 1 3HE MET 1 -1.207 2.678 -27.162 12 H LEU 2 H LEU 2 4.669 3.572 -24.877 13 HA LEU 2 HA LEU 2 7.212 2.371 -23.984 14 1HB LEU 2 2HB LEU 2 7.799 4.451 -23.166 15 2HB LEU 2 3HB LEU 2 7.035 4.771 -24.709 16 HG LEU 2 HG LEU 2 5.008 4.940 -22.604 17 1HD1 LEU 2 1HD1 LEU 2 7.447 6.726 -22.192 18 2HD1 LEU 2 2HD1 LEU 2 5.925 6.761 -21.276 19 3HD1 LEU 2 3HD1 LEU 2 7.011 5.369 -21.139 20 1HD2 LEU 2 1HD2 LEU 2 4.859 6.072 -24.788 21 2HD2 LEU 2 2HD2 LEU 2 4.753 7.222 -23.442 22 3HD2 LEU 2 3HD2 LEU 2 6.262 7.081 -24.366 23 H SER 3 H SER 3 7.619 2.661 -21.449 24 HA SER 3 HA SER 3 5.868 1.082 -19.991 25 1HB SER 3 2HB SER 3 7.576 3.308 -18.819 26 2HB SER 3 3HB SER 3 7.229 1.711 -18.131 27 HG SER 3 HG SER 3 9.297 1.727 -19.083 28 H GLU 4 H GLU 4 4.243 1.599 -18.354 29 HA GLU 4 HA GLU 4 3.482 4.370 -17.975 30 1HB GLU 4 2HB GLU 4 1.052 3.794 -18.205 31 2HB GLU 4 3HB GLU 4 1.910 3.878 -19.744 32 1HG GLU 4 2HG GLU 4 1.885 1.520 -20.028 33 2HG GLU 4 3HG GLU 4 1.484 1.221 -18.327 34 H GLN 5 H GLN 5 2.064 4.450 -16.102 35 HA GLN 5 HA GLN 5 2.641 2.284 -14.136 36 1HB GLN 5 2HB GLN 5 2.746 3.977 -12.441 37 2HB GLN 5 3HB GLN 5 3.973 4.288 -13.683 38 1HG GLN 5 2HG GLN 5 2.376 6.014 -14.683 39 2HG GLN 5 3HG GLN 5 1.320 5.759 -13.284 40 1HE2 GLN 5 1HE2 GLN 5 3.751 5.357 -11.462 41 2HE2 GLN 5 2HE2 GLN 5 4.325 6.946 -11.186 42 H LYS 6 H LYS 6 0.978 2.385 -12.230 43 HA LYS 6 HA LYS 6 -1.622 3.367 -13.154 44 1HB LYS 6 2HB LYS 6 -1.060 0.852 -13.928 45 2HB LYS 6 3HB LYS 6 -1.530 0.490 -12.257 46 1HG LYS 6 2HG LYS 6 -3.625 1.846 -12.712 47 2HG LYS 6 3HG LYS 6 -3.105 1.955 -14.413 48 1HD LYS 6 2HD LYS 6 -3.398 -0.462 -14.656 49 2HD LYS 6 3HD LYS 6 -3.547 -0.667 -12.902 50 1HE LYS 6 2HE LYS 6 -5.769 -0.768 -14.019 51 2HE LYS 6 3HE LYS 6 -5.643 0.507 -12.801 52 1HZ LYS 6 1HZ LYS 6 -5.304 2.099 -14.551 53 2HZ LYS 6 2HZ LYS 6 -5.390 0.931 -15.708 54 3HZ LYS 6 3HZ LYS 6 -6.710 1.298 -14.791 55 H GLU 7 H GLU 7 -3.171 3.416 -11.621 56 HA GLU 7 HA GLU 7 -2.483 3.563 -8.787 57 1HB GLU 7 2HB GLU 7 -4.928 4.095 -8.635 58 2HB GLU 7 3HB GLU 7 -4.021 5.227 -9.644 59 1HG GLU 7 2HG GLU 7 -4.889 4.227 -11.694 60 2HG GLU 7 3HG GLU 7 -5.655 2.910 -10.779 61 H ILE 8 H ILE 8 -3.137 2.061 -7.277 62 HA ILE 8 HA ILE 8 -4.966 -0.118 -8.101 63 HB ILE 8 HB ILE 8 -2.319 -0.612 -7.636 64 1HG1 ILE 8 2HG1 ILE 8 -3.081 -2.929 -6.784 65 2HG1 ILE 8 3HG1 ILE 8 -4.728 -2.324 -7.016 66 1HG2 ILE 8 1HG2 ILE 8 -3.555 -0.823 -4.873 67 2HG2 ILE 8 2HG2 ILE 8 -1.965 -1.414 -5.360 68 3HG2 ILE 8 3HG2 ILE 8 -2.311 0.322 -5.394 69 1HD1 ILE 8 1HD1 ILE 8 -4.121 -1.796 -9.413 70 2HD1 ILE 8 2HD1 ILE 8 -2.491 -2.429 -9.107 71 3HD1 ILE 8 3HD1 ILE 8 -3.894 -3.513 -9.026 72 H ALA 9 H ALA 9 -6.303 -0.798 -6.226 73 HA ALA 9 HA ALA 9 -6.275 0.939 -3.861 74 1HB ALA 9 1HB ALA 9 -8.656 1.533 -4.107 75 2HB ALA 9 2HB ALA 9 -7.685 2.218 -5.427 76 3HB ALA 9 3HB ALA 9 -8.684 0.775 -5.715 77 H MET 10 H MET 10 -6.525 -0.408 -2.120 78 HA MET 10 HA MET 10 -8.317 -2.728 -2.323 79 1HB MET 10 2HB MET 10 -6.623 -4.395 -1.990 80 2HB MET 10 3HB MET 10 -6.390 -3.556 -3.517 81 1HG MET 10 2HG MET 10 -4.869 -2.072 -1.597 82 2HG MET 10 3HG MET 10 -4.632 -3.787 -1.289 83 1HE MET 10 1HE MET 10 -2.415 -1.567 -2.011 84 2HE MET 10 2HE MET 10 -1.954 -3.259 -1.688 85 3HE MET 10 3HE MET 10 -1.376 -2.450 -3.153 86 H GLN 11 H GLN 11 -8.106 -4.091 -0.201 87 HA GLN 11 HA GLN 11 -8.313 -2.096 1.961 88 1HB GLN 11 2HB GLN 11 -9.268 -4.907 2.335 89 2HB GLN 11 3HB GLN 11 -9.785 -3.407 3.061 90 1HG GLN 11 2HG GLN 11 -11.557 -3.933 1.698 91 2HG GLN 11 3HG GLN 11 -10.686 -2.763 0.707 92 1HE2 GLN 11 1HE2 GLN 11 -9.849 -3.512 -1.273 93 2HE2 GLN 11 2HE2 GLN 11 -10.128 -5.106 -1.922 94 H VAL 12 H VAL 12 -7.563 -2.570 4.118 95 HA VAL 12 HA VAL 12 -5.126 -4.301 4.147 96 HB VAL 12 HB VAL 12 -5.335 -1.904 5.936 97 1HG1 VAL 12 1HG1 VAL 12 -3.031 -3.234 4.466 98 2HG1 VAL 12 2HG1 VAL 12 -2.913 -1.953 5.688 99 3HG1 VAL 12 3HG1 VAL 12 -3.491 -3.566 6.156 100 1HG2 VAL 12 1HG2 VAL 12 -5.815 -0.854 3.793 101 2HG2 VAL 12 2HG2 VAL 12 -4.096 -0.603 4.138 102 3HG2 VAL 12 3HG2 VAL 12 -4.598 -1.873 2.988 103 H SER 13 H SER 13 -4.941 -5.777 5.736 104 HA SER 13 HA SER 13 -7.108 -6.021 7.714 105 1HB SER 13 2HB SER 13 -6.081 -7.943 6.372 106 2HB SER 13 3HB SER 13 -4.648 -7.772 7.411 107 HG SER 13 HG SER 13 -6.278 -9.292 8.170 108 H GLY 14 H GLY 14 -6.907 -5.096 9.681 109 1HA GLY 14 2HA GLY 14 -5.528 -5.212 11.738 110 2HA GLY 14 3HA GLY 14 -4.213 -4.446 10.847 111 H MET 15 H MET 15 -4.791 -2.295 9.770 112 HA MET 15 HA MET 15 -5.164 -0.127 10.216 113 1HB MET 15 2HB MET 15 -6.789 -1.215 8.649 114 2HB MET 15 3HB MET 15 -8.019 -1.116 9.909 115 1HG MET 15 2HG MET 15 -6.405 1.243 8.826 116 2HG MET 15 3HG MET 15 -7.896 0.687 8.101 117 1HE MET 15 1HE MET 15 -10.564 1.684 10.826 118 2HE MET 15 2HE MET 15 -10.282 0.865 9.274 119 3HE MET 15 3HE MET 15 -9.737 0.113 10.797 120 H THR 16 H THR 16 -4.358 -0.337 12.499 121 HA THR 16 HA THR 16 -6.302 0.006 14.630 122 HB THR 16 HB THR 16 -4.030 0.453 15.828 123 HG1 THR 16 1HG THR 16 -2.636 0.882 14.256 124 1HG2 THR 16 1HG2 THR 16 -4.417 -2.174 14.309 125 2HG2 THR 16 2HG2 THR 16 -3.386 -1.923 15.731 126 3HG2 THR 16 3HG2 THR 16 -5.148 -1.763 15.878 127 H CYS 17 H CYS 17 -6.102 1.953 12.209 128 HA CYS 17 HA CYS 17 -6.236 4.126 11.761 129 1HB CYS 17 2HB CYS 17 -8.207 3.500 13.276 130 2HB CYS 17 3HB CYS 17 -7.402 4.432 14.551 131 HG CYS 17 HG CYS 17 -8.231 5.327 11.465 132 H ALA 18 H ALA 18 -6.142 6.181 14.191 133 HA ALA 18 HA ALA 18 -4.741 7.749 14.861 134 1HB ALA 18 1HB ALA 18 -4.053 6.053 16.439 135 2HB ALA 18 2HB ALA 18 -2.835 5.416 15.324 136 3HB ALA 18 3HB ALA 18 -2.666 7.058 15.984 137 H ALA 19 H ALA 19 -2.182 5.804 13.396 138 HA ALA 19 HA ALA 19 -1.963 7.529 11.033 139 1HB ALA 19 1HB ALA 19 -0.710 8.832 12.748 140 2HB ALA 19 2HB ALA 19 0.305 7.412 13.073 141 3HB ALA 19 3HB ALA 19 0.372 8.210 11.488 142 H CYS 20 H CYS 20 -2.358 4.585 11.856 143 HA CYS 20 HA CYS 20 0.267 3.339 11.493 144 1HB CYS 20 2HB CYS 20 -2.502 2.318 12.126 145 2HB CYS 20 3HB CYS 20 -1.288 1.195 11.505 146 HG CYS 20 HG CYS 20 -0.890 3.344 13.980 147 H ALA 21 H ALA 21 -2.831 3.051 9.702 148 HA ALA 21 HA ALA 21 -1.769 1.715 7.496 149 1HB ALA 21 1HB ALA 21 -3.728 2.543 6.275 150 2HB ALA 21 2HB ALA 21 -4.156 1.973 7.905 151 3HB ALA 21 3HB ALA 21 -4.006 3.720 7.589 152 H ALA 22 H ALA 22 -1.912 5.178 8.148 153 HA ALA 22 HA ALA 22 -0.818 6.123 5.708 154 1HB ALA 22 1HB ALA 22 -0.150 8.095 7.149 155 2HB ALA 22 2HB ALA 22 -1.843 7.600 7.379 156 3HB ALA 22 3HB ALA 22 -0.631 7.155 8.587 157 H ARG 23 H ARG 23 0.880 5.220 8.800 158 HA ARG 23 HA ARG 23 3.510 5.560 7.770 159 1HB ARG 23 2HB ARG 23 2.399 3.780 9.967 160 2HB ARG 23 3HB ARG 23 4.114 3.880 9.609 161 1HG ARG 23 2HG ARG 23 2.762 6.527 10.003 162 2HG ARG 23 3HG ARG 23 2.775 5.461 11.407 163 1HD ARG 23 2HD ARG 23 4.724 6.909 11.454 164 2HD ARG 23 3HD ARG 23 5.182 5.198 11.305 165 HE ARG 23 HE ARG 23 4.964 6.470 8.722 166 1HH1 ARG 23 2HH2 ARG 23 7.083 6.291 11.524 167 2HH1 ARG 23 1HH2 ARG 23 8.552 6.604 10.655 168 1HH2 ARG 23 2HH1 ARG 23 6.890 6.836 7.503 169 2HH2 ARG 23 1HH1 ARG 23 8.421 6.974 8.306 170 H ILE 24 H ILE 24 1.453 2.627 7.828 171 HA ILE 24 HA ILE 24 3.216 0.778 6.704 172 HB ILE 24 HB ILE 24 0.242 1.131 6.229 173 1HG1 ILE 24 2HG1 ILE 24 1.521 -0.915 8.043 174 2HG1 ILE 24 3HG1 ILE 24 1.058 0.660 8.648 175 1HG2 ILE 24 1HG2 ILE 24 1.153 -0.287 4.459 176 2HG2 ILE 24 2HG2 ILE 24 1.886 -1.348 5.691 177 3HG2 ILE 24 3HG2 ILE 24 0.130 -1.209 5.553 178 1HD1 ILE 24 1HD1 ILE 24 -1.053 -0.119 8.953 179 2HD1 ILE 24 2HD1 ILE 24 -1.239 -0.288 7.196 180 3HD1 ILE 24 3HD1 ILE 24 -0.654 -1.628 8.119 181 H GLU 25 H GLU 25 0.843 2.887 4.932 182 HA GLU 25 HA GLU 25 1.867 1.973 2.477 183 1HB GLU 25 2HB GLU 25 -0.402 3.352 3.201 184 2HB GLU 25 3HB GLU 25 0.541 4.661 2.500 185 1HG GLU 25 2HG GLU 25 -0.756 3.690 0.701 186 2HG GLU 25 3HG GLU 25 0.928 3.233 0.440 187 H LYS 26 H LYS 26 2.640 4.880 4.464 188 HA LYS 26 HA LYS 26 4.346 6.125 2.574 189 1HB LYS 26 2HB LYS 26 4.009 6.222 5.566 190 2HB LYS 26 3HB LYS 26 5.432 6.937 4.865 191 1HG LYS 26 2HG LYS 26 2.638 7.638 3.878 192 2HG LYS 26 3HG LYS 26 3.442 8.483 5.212 193 1HD LYS 26 2HD LYS 26 5.412 8.947 3.661 194 2HD LYS 26 3HD LYS 26 4.495 8.239 2.342 195 1HE LYS 26 2HE LYS 26 4.281 10.593 2.129 196 2HE LYS 26 3HE LYS 26 2.707 9.950 2.614 197 1HZ LYS 26 1HZ LYS 26 3.310 11.947 3.802 198 2HZ LYS 26 2HZ LYS 26 3.177 10.695 4.854 199 3HZ LYS 26 3HZ LYS 26 4.666 11.247 4.409 200 H GLY 27 H GLY 27 4.820 3.349 4.696 201 1HA GLY 27 2HA GLY 27 7.605 2.917 4.246 202 2HA GLY 27 3HA GLY 27 6.352 1.687 4.472 203 H LEU 28 H LEU 28 4.673 1.964 2.276 204 HA LEU 28 HA LEU 28 6.246 0.779 0.218 205 1HB LEU 28 2HB LEU 28 3.433 1.865 0.119 206 2HB LEU 28 3HB LEU 28 4.200 0.945 -1.169 207 HG LEU 28 HG LEU 28 3.864 -0.194 1.621 208 1HD1 LEU 28 1HD1 LEU 28 1.743 0.054 0.796 209 2HD1 LEU 28 2HD1 LEU 28 2.177 -0.231 -0.892 210 3HD1 LEU 28 3HD1 LEU 28 2.141 -1.580 0.251 211 1HD2 LEU 28 1HD2 LEU 28 5.653 -1.386 0.807 212 2HD2 LEU 28 2HD2 LEU 28 4.320 -2.359 0.189 213 3HD2 LEU 28 3HD2 LEU 28 5.183 -1.238 -0.881 214 H LYS 29 H LYS 29 5.123 4.081 0.659 215 HA LYS 29 HA LYS 29 5.837 5.223 -1.820 216 1HB LYS 29 2HB LYS 29 4.723 6.599 -0.289 217 2HB LYS 29 3HB LYS 29 5.845 6.228 0.988 218 1HG LYS 29 2HG LYS 29 6.264 8.446 0.480 219 2HG LYS 29 3HG LYS 29 7.645 7.530 -0.062 220 1HD LYS 29 2HD LYS 29 7.157 9.154 -1.721 221 2HD LYS 29 3HD LYS 29 6.689 7.596 -2.417 222 1HE LYS 29 2HE LYS 29 4.385 7.993 -2.126 223 2HE LYS 29 3HE LYS 29 4.629 9.279 -0.941 224 1HZ LYS 29 1HZ LYS 29 4.023 10.278 -3.016 225 2HZ LYS 29 2HZ LYS 29 5.581 10.669 -2.731 226 3HZ LYS 29 3HZ LYS 29 5.182 9.504 -3.823 227 H ARG 30 H ARG 30 7.962 3.679 0.502 228 HA ARG 30 HA ARG 30 10.337 4.944 -0.684 229 1HB ARG 30 2HB ARG 30 9.717 4.235 1.835 230 2HB ARG 30 3HB ARG 30 10.527 2.746 1.346 231 1HG ARG 30 2HG ARG 30 12.585 3.924 0.938 232 2HG ARG 30 3HG ARG 30 11.768 5.500 0.890 233 1HD ARG 30 2HD ARG 30 11.141 5.313 3.244 234 2HD ARG 30 3HD ARG 30 12.012 3.762 3.371 235 HE ARG 30 HE ARG 30 13.877 5.548 2.353 236 1HH1 ARG 30 2HH2 ARG 30 11.894 5.382 5.253 237 2HH1 ARG 30 1HH2 ARG 30 12.955 6.334 6.249 238 1HH2 ARG 30 2HH1 ARG 30 15.345 6.802 3.648 239 2HH2 ARG 30 1HH1 ARG 30 14.979 7.144 5.305 240 H MET 31 H MET 31 8.369 2.276 -1.601 241 HA MET 31 HA MET 31 10.567 0.530 -2.314 242 1HB MET 31 2HB MET 31 7.629 0.479 -3.113 243 2HB MET 31 3HB MET 31 8.826 -0.707 -3.629 244 1HG MET 31 2HG MET 31 9.367 -0.839 -1.019 245 2HG MET 31 3HG MET 31 7.744 -0.210 -0.890 246 1HE MET 31 1HE MET 31 10.115 -3.044 -1.739 247 2HE MET 31 2HE MET 31 9.073 -4.354 -2.322 248 3HE MET 31 3HE MET 31 9.397 -2.948 -3.365 249 HA PRO 32 HA PRO 32 11.840 2.523 -6.017 250 1HB PRO 32 2HB PRO 32 13.218 0.569 -7.293 251 2HB PRO 32 3HB PRO 32 13.763 1.245 -5.732 252 1HG PRO 32 2HG PRO 32 12.141 -1.289 -6.159 253 2HG PRO 32 3HG PRO 32 13.644 -1.110 -5.211 254 1HD PRO 32 2HD PRO 32 11.216 -1.006 -4.019 255 2HD PRO 32 3HD PRO 32 12.518 0.112 -3.507 256 H GLY 33 H GLY 33 9.701 2.888 -6.883 257 1HA GLY 33 2HA GLY 33 9.115 2.448 -9.454 258 2HA GLY 33 3HA GLY 33 8.571 0.939 -8.810 259 H VAL 34 H VAL 34 7.925 2.586 -6.135 260 HA VAL 34 HA VAL 34 5.186 3.228 -6.743 261 HB VAL 34 HB VAL 34 6.242 2.516 -4.546 262 1HG1 VAL 34 1HG1 VAL 34 6.823 5.436 -4.035 263 2HG1 VAL 34 2HG1 VAL 34 7.489 3.963 -3.283 264 3HG1 VAL 34 3HG1 VAL 34 8.047 4.472 -4.859 265 1HG2 VAL 34 1HG2 VAL 34 4.656 3.708 -3.191 266 2HG2 VAL 34 2HG2 VAL 34 4.502 5.011 -4.384 267 3HG2 VAL 34 3HG2 VAL 34 3.912 3.378 -4.759 268 H THR 35 H THR 35 4.201 5.230 -6.775 269 HA THR 35 HA THR 35 5.933 7.625 -7.221 270 HB THR 35 HB THR 35 3.246 8.127 -8.128 271 HG1 THR 35 1HG THR 35 3.282 5.788 -8.434 272 1HG2 THR 35 1HG2 THR 35 5.338 9.275 -8.839 273 2HG2 THR 35 2HG2 THR 35 5.833 7.801 -9.703 274 3HG2 THR 35 3HG2 THR 35 4.373 8.698 -10.202 275 H ASP 36 H ASP 36 2.613 6.669 -6.093 276 HA ASP 36 HA ASP 36 2.951 8.417 -3.753 277 1HB ASP 36 2HB ASP 36 1.317 9.189 -6.162 278 2HB ASP 36 3HB ASP 36 0.681 9.560 -4.555 279 H ALA 37 H ALA 37 1.720 8.017 -2.083 280 HA ALA 37 HA ALA 37 -0.180 5.723 -2.202 281 1HB ALA 37 1HB ALA 37 0.268 5.670 0.255 282 2HB ALA 37 2HB ALA 37 1.723 5.361 -0.721 283 3HB ALA 37 3HB ALA 37 1.474 6.948 0.048 284 H ASN 38 H ASN 38 -2.239 5.996 -1.233 285 HA ASN 38 HA ASN 38 -2.978 8.578 -0.006 286 1HB ASN 38 2HB ASN 38 -3.622 7.844 -2.767 287 2HB ASN 38 3HB ASN 38 -5.096 7.959 -1.810 288 1HD2 ASN 38 1HD2 ASN 38 -1.974 9.830 -1.892 289 2HD2 ASN 38 2HD2 ASN 38 -2.784 11.378 -2.104 290 H VAL 39 H VAL 39 -3.630 7.814 1.917 291 HA VAL 39 HA VAL 39 -4.898 5.187 2.139 292 HB VAL 39 HB VAL 39 -3.072 6.010 3.623 293 1HG1 VAL 39 1HG1 VAL 39 -3.563 7.491 5.474 294 2HG1 VAL 39 2HG1 VAL 39 -3.885 8.357 3.965 295 3HG1 VAL 39 3HG1 VAL 39 -5.233 7.719 4.932 296 1HG2 VAL 39 1HG2 VAL 39 -4.435 4.103 4.240 297 2HG2 VAL 39 2HG2 VAL 39 -4.068 5.085 5.673 298 3HG2 VAL 39 3HG2 VAL 39 -5.674 5.179 4.918 299 H ASN 40 H ASN 40 -7.030 4.715 2.644 300 HA ASN 40 HA ASN 40 -8.906 6.968 2.931 301 1HB ASN 40 2HB ASN 40 -8.754 6.119 0.552 302 2HB ASN 40 3HB ASN 40 -9.363 4.560 1.116 303 1HD2 ASN 40 1HD2 ASN 40 -11.174 5.158 -0.478 304 2HD2 ASN 40 2HD2 ASN 40 -12.517 6.027 0.246 305 H LEU 41 H LEU 41 -8.407 6.156 5.191 306 HA LEU 41 HA LEU 41 -9.479 3.622 6.008 307 1HB LEU 41 2HB LEU 41 -9.015 6.092 7.723 308 2HB LEU 41 3HB LEU 41 -9.234 4.425 8.262 309 HG LEU 41 HG LEU 41 -6.902 5.645 6.757 310 1HD1 LEU 41 1HD1 LEU 41 -7.086 5.519 9.372 311 2HD1 LEU 41 2HD1 LEU 41 -6.644 3.807 9.137 312 3HD1 LEU 41 3HD1 LEU 41 -5.570 5.079 8.573 313 1HD2 LEU 41 1HD2 LEU 41 -7.260 3.539 5.558 314 2HD2 LEU 41 2HD2 LEU 41 -5.948 3.283 6.691 315 3HD2 LEU 41 3HD2 LEU 41 -7.557 2.687 7.086 316 H ALA 42 H ALA 42 -11.054 6.529 5.178 317 HA ALA 42 HA ALA 42 -13.528 6.194 6.614 318 1HB ALA 42 1HB ALA 42 -14.432 7.676 4.884 319 2HB ALA 42 2HB ALA 42 -12.862 8.297 5.438 320 3HB ALA 42 3HB ALA 42 -12.988 7.438 3.886 321 H THR 43 H THR 43 -11.976 4.330 4.146 322 HA THR 43 HA THR 43 -14.446 2.708 3.827 323 HB THR 43 HB THR 43 -12.421 3.394 1.645 324 HG1 THR 43 1HG THR 43 -14.735 4.695 2.508 325 1HG2 THR 43 1HG2 THR 43 -14.301 2.752 0.128 326 2HG2 THR 43 2HG2 THR 43 -13.684 1.390 1.071 327 3HG2 THR 43 3HG2 THR 43 -15.208 2.178 1.547 328 H GLU 44 H GLU 44 -11.898 2.640 5.571 329 HA GLU 44 HA GLU 44 -10.075 1.342 6.051 330 1HB GLU 44 2HB GLU 44 -12.067 -0.860 5.393 331 2HB GLU 44 3HB GLU 44 -10.674 -0.958 6.473 332 1HG GLU 44 2HG GLU 44 -12.181 -0.489 8.100 333 2HG GLU 44 3HG GLU 44 -12.004 1.194 7.586 334 H THR 45 H THR 45 -9.703 2.273 3.460 335 HA THR 45 HA THR 45 -8.517 -0.027 2.007 336 HB THR 45 HB THR 45 -10.500 2.060 0.997 337 HG1 THR 45 1HG THR 45 -11.386 0.152 1.853 338 1HG2 THR 45 1HG2 THR 45 -8.746 1.839 -0.756 339 2HG2 THR 45 2HG2 THR 45 -8.983 0.075 -0.732 340 3HG2 THR 45 3HG2 THR 45 -10.292 1.137 -1.245 341 H VAL 46 H VAL 46 -6.810 0.553 0.636 342 HA VAL 46 HA VAL 46 -5.905 3.377 0.854 343 HB VAL 46 HB VAL 46 -4.746 2.065 2.499 344 1HG1 VAL 46 1HG1 VAL 46 -4.824 -0.193 1.392 345 2HG1 VAL 46 2HG1 VAL 46 -3.651 0.366 0.189 346 3HG1 VAL 46 3HG1 VAL 46 -3.182 0.251 1.890 347 1HG2 VAL 46 1HG2 VAL 46 -3.574 3.911 1.104 348 2HG2 VAL 46 2HG2 VAL 46 -2.552 2.774 1.979 349 3HG2 VAL 46 3HG2 VAL 46 -2.806 2.602 0.217 350 H ASN 47 H ASN 47 -4.901 4.194 -0.907 351 HA ASN 47 HA ASN 47 -4.990 2.603 -3.401 352 1HB ASN 47 2HB ASN 47 -6.580 4.296 -3.785 353 2HB ASN 47 3HB ASN 47 -5.742 5.450 -2.745 354 1HD2 ASN 47 1HD2 ASN 47 -4.888 3.608 -5.800 355 2HD2 ASN 47 2HD2 ASN 47 -4.277 5.057 -6.583 356 H VAL 48 H VAL 48 -3.094 2.668 -4.629 357 HA VAL 48 HA VAL 48 -1.096 4.622 -3.965 358 HB VAL 48 HB VAL 48 -0.507 3.005 -2.257 359 1HG1 VAL 48 1HG1 VAL 48 0.277 0.735 -2.808 360 2HG1 VAL 48 2HG1 VAL 48 -1.438 0.949 -3.176 361 3HG1 VAL 48 3HG1 VAL 48 -0.237 0.970 -4.493 362 1HG2 VAL 48 1HG2 VAL 48 1.343 4.206 -3.373 363 2HG2 VAL 48 2HG2 VAL 48 1.826 2.606 -2.802 364 3HG2 VAL 48 3HG2 VAL 48 1.513 2.868 -4.528 365 H ILE 49 H ILE 49 0.290 4.998 -5.588 366 HA ILE 49 HA ILE 49 -0.446 3.837 -8.223 367 HB ILE 49 HB ILE 49 0.682 6.573 -7.528 368 1HG1 ILE 49 2HG1 ILE 49 -2.140 6.089 -8.527 369 2HG1 ILE 49 3HG1 ILE 49 -1.804 6.071 -6.795 370 1HG2 ILE 49 1HG2 ILE 49 -0.475 5.464 -10.130 371 2HG2 ILE 49 2HG2 ILE 49 0.122 7.114 -9.895 372 3HG2 ILE 49 3HG2 ILE 49 1.245 5.758 -9.828 373 1HD1 ILE 49 1HD1 ILE 49 -2.540 8.280 -7.503 374 2HD1 ILE 49 2HD1 ILE 49 -0.889 8.313 -6.858 375 3HD1 ILE 49 3HD1 ILE 49 -1.161 8.418 -8.611 376 H TYR 50 H TYR 50 1.133 2.674 -9.219 377 HA TYR 50 HA TYR 50 3.973 3.248 -8.679 378 1HB TYR 50 2HB TYR 50 4.322 0.727 -8.308 379 2HB TYR 50 3HB TYR 50 3.734 1.650 -6.958 380 HD1 TYR 50 HD1 TYR 50 2.416 -0.387 -9.890 381 HD2 TYR 50 HD2 TYR 50 1.912 0.741 -5.758 382 HE1 TYR 50 HE1 TYR 50 0.780 -2.198 -9.598 383 HE2 TYR 50 HE2 TYR 50 0.318 -1.122 -5.460 384 HH TYR 50 HH TYR 50 -0.757 -2.921 -6.491 385 H ASP 51 H ASP 51 5.413 1.913 -10.034 386 HA ASP 51 HA ASP 51 4.320 1.701 -12.752 387 1HB ASP 51 2HB ASP 51 6.294 3.084 -12.215 388 2HB ASP 51 3HB ASP 51 7.172 1.651 -11.720 389 HA PRO 52 HA PRO 52 4.379 -2.793 -11.679 390 1HB PRO 52 2HB PRO 52 2.901 -3.764 -13.702 391 2HB PRO 52 3HB PRO 52 2.187 -2.782 -12.391 392 1HG PRO 52 2HG PRO 52 3.074 -1.823 -15.127 393 2HG PRO 52 3HG PRO 52 1.493 -1.546 -14.335 394 1HD PRO 52 2HD PRO 52 3.556 0.244 -14.259 395 2HD PRO 52 3HD PRO 52 2.428 0.064 -12.871 396 H ALA 53 H ALA 53 6.437 -1.190 -13.610 397 HA ALA 53 HA ALA 53 7.370 -3.554 -15.172 398 1HB ALA 53 1HB ALA 53 7.538 -1.247 -16.134 399 2HB ALA 53 2HB ALA 53 8.676 -0.823 -14.836 400 3HB ALA 53 3HB ALA 53 9.093 -2.092 -15.995 401 H GLU 54 H GLU 54 8.307 -1.387 -12.528 402 HA GLU 54 HA GLU 54 10.367 -3.235 -11.466 403 1HB GLU 54 2HB GLU 54 9.363 -0.442 -10.691 404 2HB GLU 54 3HB GLU 54 10.556 -1.341 -9.790 405 1HG GLU 54 2HG GLU 54 11.794 -1.528 -12.143 406 2HG GLU 54 3HG GLU 54 10.776 -0.138 -12.555 407 H THR 55 H THR 55 7.230 -1.873 -10.683 408 HA THR 55 HA THR 55 7.087 -3.304 -8.113 409 HB THR 55 HB THR 55 6.666 -0.449 -8.755 410 HG1 THR 55 1HG THR 55 8.771 -2.080 -7.920 411 1HG2 THR 55 1HG2 THR 55 5.335 -1.021 -6.877 412 2HG2 THR 55 2HG2 THR 55 6.642 -2.007 -6.131 413 3HG2 THR 55 3HG2 THR 55 6.795 -0.218 -6.275 414 H GLY 56 H GLY 56 5.315 -4.263 -7.555 415 1HA GLY 56 2HA GLY 56 3.065 -2.647 -7.405 416 2HA GLY 56 3HA GLY 56 2.688 -3.978 -8.538 417 H THR 57 H THR 57 1.210 -4.545 -6.942 418 HA THR 57 HA THR 57 1.206 -5.254 -4.391 419 HB THR 57 HB THR 57 -0.707 -5.463 -5.641 420 HG1 THR 57 1HG THR 57 -0.151 -8.149 -5.009 421 1HG2 THR 57 1HG2 THR 57 0.597 -7.622 -7.344 422 2HG2 THR 57 2HG2 THR 57 -1.137 -7.240 -7.318 423 3HG2 THR 57 3HG2 THR 57 0.016 -6.023 -7.865 424 H ALA 58 H ALA 58 2.836 -7.322 -6.851 425 HA ALA 58 HA ALA 58 3.554 -9.495 -5.257 426 1HB ALA 58 1HB ALA 58 5.208 -8.044 -7.373 427 2HB ALA 58 2HB ALA 58 5.517 -9.683 -6.767 428 3HB ALA 58 3HB ALA 58 4.025 -9.337 -7.663 429 H ALA 59 H ALA 59 5.214 -6.318 -5.432 430 HA ALA 59 HA ALA 59 7.412 -7.197 -3.627 431 1HB ALA 59 1HB ALA 59 6.908 -4.510 -5.002 432 2HB ALA 59 2HB ALA 59 8.418 -5.089 -4.265 433 3HB ALA 59 3HB ALA 59 7.833 -5.830 -5.752 434 H ILE 60 H ILE 60 4.507 -5.282 -3.895 435 HA ILE 60 HA ILE 60 4.903 -3.842 -1.491 436 HB ILE 60 HB ILE 60 2.914 -4.083 -3.653 437 1HG1 ILE 60 2HG1 ILE 60 3.431 -1.708 -1.975 438 2HG1 ILE 60 3HG1 ILE 60 4.779 -2.310 -2.957 439 1HG2 ILE 60 1HG2 ILE 60 1.916 -3.402 -0.880 440 2HG2 ILE 60 2HG2 ILE 60 1.136 -2.842 -2.375 441 3HG2 ILE 60 3HG2 ILE 60 1.258 -4.569 -2.033 442 1HD1 ILE 60 1HD1 ILE 60 3.465 -2.087 -4.993 443 2HD1 ILE 60 2HD1 ILE 60 2.106 -1.427 -4.041 444 3HD1 ILE 60 3HD1 ILE 60 3.657 -0.552 -4.127 445 H GLN 61 H GLN 61 2.816 -6.770 -2.057 446 HA GLN 61 HA GLN 61 1.987 -6.995 0.619 447 1HB GLN 61 2HB GLN 61 2.391 -8.977 -1.596 448 2HB GLN 61 3HB GLN 61 2.337 -9.576 0.072 449 1HG GLN 61 2HG GLN 61 0.134 -9.777 -0.384 450 2HG GLN 61 3HG GLN 61 0.179 -8.206 0.339 451 1HE2 GLN 61 1HE2 GLN 61 0.624 -6.393 -1.511 452 2HE2 GLN 61 2HE2 GLN 61 -0.263 -6.689 -3.018 453 H GLU 62 H GLU 62 4.969 -8.339 -0.865 454 HA GLU 62 HA GLU 62 6.181 -9.474 1.320 455 1HB GLU 62 2HB GLU 62 6.971 -8.719 -1.219 456 2HB GLU 62 3HB GLU 62 7.910 -7.558 -0.295 457 1HG GLU 62 2HG GLU 62 7.966 -10.574 0.169 458 2HG GLU 62 3HG GLU 62 9.006 -9.706 -0.979 459 H LYS 63 H LYS 63 6.344 -5.969 0.553 460 HA LYS 63 HA LYS 63 7.754 -5.487 3.049 461 1HB LYS 63 2HB LYS 63 6.899 -3.996 0.617 462 2HB LYS 63 3HB LYS 63 6.789 -3.083 2.106 463 1HG LYS 63 2HG LYS 63 9.042 -2.822 1.128 464 2HG LYS 63 3HG LYS 63 9.148 -3.660 2.688 465 1HD LYS 63 2HD LYS 63 9.184 -5.872 1.455 466 2HD LYS 63 3HD LYS 63 9.069 -5.002 -0.067 467 1HE LYS 63 2HE LYS 63 11.326 -4.006 0.394 468 2HE LYS 63 3HE LYS 63 11.345 -4.832 1.966 469 1HZ LYS 63 1HZ LYS 63 12.546 -6.156 0.413 470 2HZ LYS 63 2HZ LYS 63 11.136 -6.943 0.742 471 3HZ LYS 63 3HZ LYS 63 11.299 -6.161 -0.666 472 H ILE 64 H ILE 64 4.304 -5.225 2.051 473 HA ILE 64 HA ILE 64 3.422 -3.878 4.305 474 HB ILE 64 HB ILE 64 2.009 -5.892 2.540 475 1HG1 ILE 64 2HG1 ILE 64 2.653 -3.789 1.393 476 2HG1 ILE 64 3HG1 ILE 64 0.921 -4.053 1.539 477 1HG2 ILE 64 1HG2 ILE 64 -0.008 -4.552 3.639 478 2HG2 ILE 64 2HG2 ILE 64 0.702 -5.959 4.459 479 3HG2 ILE 64 3HG2 ILE 64 1.135 -4.300 4.949 480 1HD1 ILE 64 1HD1 ILE 64 2.692 -2.048 2.878 481 2HD1 ILE 64 2HD1 ILE 64 1.091 -1.842 2.101 482 3HD1 ILE 64 3HD1 ILE 64 1.192 -2.540 3.696 483 H GLU 65 H GLU 65 3.907 -7.405 3.723 484 HA GLU 65 HA GLU 65 3.108 -8.522 6.211 485 1HB GLU 65 2HB GLU 65 5.037 -9.208 4.011 486 2HB GLU 65 3HB GLU 65 5.025 -10.169 5.494 487 1HG GLU 65 2HG GLU 65 2.387 -9.638 4.130 488 2HG GLU 65 3HG GLU 65 3.517 -10.760 3.364 489 H LYS 66 H LYS 66 6.311 -7.317 5.138 490 HA LYS 66 HA LYS 66 7.590 -7.749 7.616 491 1HB LYS 66 2HB LYS 66 8.324 -6.754 5.088 492 2HB LYS 66 3HB LYS 66 8.547 -5.375 6.145 493 1HG LYS 66 2HG LYS 66 10.588 -6.276 6.537 494 2HG LYS 66 3HG LYS 66 9.767 -7.338 7.670 495 1HD LYS 66 2HD LYS 66 10.404 -7.884 4.728 496 2HD LYS 66 3HD LYS 66 11.253 -8.579 6.117 497 1HE LYS 66 2HE LYS 66 9.352 -9.929 6.737 498 2HE LYS 66 3HE LYS 66 8.272 -9.068 5.628 499 1HZ LYS 66 1HZ LYS 66 10.506 -10.739 4.716 500 2HZ LYS 66 2HZ LYS 66 8.915 -11.160 4.719 501 3HZ LYS 66 3HZ LYS 66 9.432 -9.952 3.766 502 H LEU 67 H LEU 67 6.006 -4.752 6.409 503 HA LEU 67 HA LEU 67 6.322 -3.089 8.649 504 1HB LEU 67 2HB LEU 67 4.286 -3.357 6.406 505 2HB LEU 67 3HB LEU 67 4.063 -2.185 7.671 506 HG LEU 67 HG LEU 67 5.829 -0.917 7.102 507 1HD1 LEU 67 1HD1 LEU 67 7.696 -2.567 6.930 508 2HD1 LEU 67 2HD1 LEU 67 7.180 -2.907 5.267 509 3HD1 LEU 67 3HD1 LEU 67 7.711 -1.297 5.710 510 1HD2 LEU 67 1HD2 LEU 67 4.977 -2.089 4.416 511 2HD2 LEU 67 2HD2 LEU 67 4.051 -0.909 5.356 512 3HD2 LEU 67 3HD2 LEU 67 5.624 -0.464 4.680 513 H GLY 68 H GLY 68 4.427 -6.012 8.356 514 1HA GLY 68 2HA GLY 68 3.858 -7.165 10.281 515 2HA GLY 68 3HA GLY 68 3.652 -5.665 11.190 516 H TYR 69 H TYR 69 2.252 -6.048 7.931 517 HA TYR 69 HA TYR 69 -0.436 -6.624 9.096 518 1HB TYR 69 2HB TYR 69 0.224 -4.305 7.239 519 2HB TYR 69 3HB TYR 69 -1.387 -4.778 7.767 520 HD1 TYR 69 HD1 TYR 69 -2.270 -4.019 9.851 521 HD2 TYR 69 HD2 TYR 69 1.871 -3.383 8.899 522 HE1 TYR 69 HE1 TYR 69 -2.119 -2.345 11.663 523 HE2 TYR 69 HE2 TYR 69 2.091 -1.863 10.809 524 HH TYR 69 HH TYR 69 -0.719 -0.968 12.888 525 H HIS 70 H HIS 70 -2.016 -6.821 7.085 526 HA HIS 70 HA HIS 70 -0.587 -8.065 4.793 527 1HB HIS 70 2HB HIS 70 -1.176 -10.078 5.443 528 2HB HIS 70 3HB HIS 70 -2.117 -9.492 6.797 529 HD1 HIS 70 1HD HIS 70 -2.900 -9.539 2.927 530 HD2 HIS 70 2HD HIS 70 -4.548 -10.248 6.745 531 HE1 HIS 70 1HE HIS 70 -5.274 -10.293 2.566 532 H VAL 71 H VAL 71 -1.192 -7.043 3.067 533 HA VAL 71 HA VAL 71 -3.785 -5.597 3.021 534 HB VAL 71 HB VAL 71 -1.564 -4.615 2.177 535 1HG1 VAL 71 1HG1 VAL 71 -0.928 -6.527 0.753 536 2HG1 VAL 71 2HG1 VAL 71 -2.294 -6.179 -0.335 537 3HG1 VAL 71 3HG1 VAL 71 -0.984 -4.999 -0.133 538 1HG2 VAL 71 1HG2 VAL 71 -4.060 -4.585 0.544 539 2HG2 VAL 71 2HG2 VAL 71 -3.667 -3.535 1.922 540 3HG2 VAL 71 3HG2 VAL 71 -2.744 -3.380 0.419 541 H VAL 72 H VAL 72 -5.461 -6.115 1.530 542 HA VAL 72 HA VAL 72 -5.336 -8.906 0.375 543 HB VAL 72 HB VAL 72 -7.830 -8.177 -0.247 544 1HG1 VAL 72 1HG1 VAL 72 -8.721 -9.412 1.504 545 2HG1 VAL 72 2HG1 VAL 72 -7.191 -10.186 1.058 546 3HG1 VAL 72 3HG1 VAL 72 -7.298 -9.179 2.537 547 1HG2 VAL 72 1HG2 VAL 72 -7.759 -5.976 0.780 548 2HG2 VAL 72 2HG2 VAL 72 -8.959 -7.037 1.545 549 3HG2 VAL 72 3HG2 VAL 72 -7.436 -6.717 2.383 550 H ILE 73 H ILE 73 -6.200 -9.101 -1.868 551 HA ILE 73 HA ILE 73 -6.053 -6.614 -3.501 552 HB ILE 73 HB ILE 73 -5.068 -9.409 -4.264 553 1HG1 ILE 73 2HG1 ILE 73 -3.508 -8.318 -2.674 554 2HG1 ILE 73 3HG1 ILE 73 -2.844 -8.593 -4.266 555 1HG2 ILE 73 1HG2 ILE 73 -5.953 -8.282 -6.222 556 2HG2 ILE 73 2HG2 ILE 73 -5.100 -6.784 -5.819 557 3HG2 ILE 73 3HG2 ILE 73 -4.190 -8.232 -6.306 558 1HD1 ILE 73 1HD1 ILE 73 -2.306 -6.329 -3.241 559 2HD1 ILE 73 2HD1 ILE 73 -3.047 -6.235 -4.850 560 3HD1 ILE 73 3HD1 ILE 73 -4.002 -5.911 -3.393 561 H GLU 74 H GLU 74 -8.235 -6.387 -3.259 562 HA GLU 74 HA GLU 74 -9.830 -8.020 -5.099 563 1HB GLU 74 2HB GLU 74 -10.044 -8.349 -2.208 564 2HB GLU 74 3HB GLU 74 -11.522 -7.595 -2.798 565 1HG GLU 74 2HG GLU 74 -11.838 -9.376 -4.439 566 2HG GLU 74 3HG GLU 74 -10.299 -10.126 -3.965 567 H GLY 75 H GLY 75 -9.624 -6.118 -6.392 568 1HA GLY 75 2HA GLY 75 -11.700 -4.228 -6.157 569 2HA GLY 75 3HA GLY 75 -10.258 -3.501 -5.422 570 H ARG 76 H ARG 76 -10.734 -5.650 -8.239 571 HA ARG 76 HA ARG 76 -9.979 -5.634 -10.326 572 1HB ARG 76 2HB ARG 76 -11.326 -3.495 -10.459 573 2HB ARG 76 3HB ARG 76 -9.818 -2.589 -10.251 574 1HG ARG 76 2HG ARG 76 -8.976 -3.267 -12.352 575 2HG ARG 76 3HG ARG 76 -9.986 -4.711 -12.398 576 1HD ARG 76 2HD ARG 76 -10.829 -3.179 -14.019 577 2HD ARG 76 3HD ARG 76 -12.006 -3.335 -12.695 578 HE ARG 76 HE ARG 76 -10.257 -1.131 -12.180 579 1HH1 ARG 76 2HH2 ARG 76 -12.950 -2.092 -14.224 580 2HH1 ARG 76 1HH2 ARG 76 -13.482 -0.486 -14.611 581 1HH2 ARG 76 2HH1 ARG 76 -10.902 1.067 -12.695 582 2HH2 ARG 76 1HH1 ARG 76 -12.264 1.356 -13.725 Start of MODEL 11 1 1H MET 1 H1 MET 1 8.899 -1.513 -23.562 2 2H MET 1 H2 MET 1 9.833 -1.287 -24.916 3 3H MET 1 H3 MET 1 8.881 -0.060 -24.315 4 HA MET 1 HA MET 1 7.891 -0.967 -26.257 5 1HB MET 1 2HB MET 1 7.836 -3.475 -24.528 6 2HB MET 1 3HB MET 1 6.739 -3.230 -25.901 7 1HG MET 1 2HG MET 1 8.492 -3.025 -27.471 8 2HG MET 1 3HG MET 1 9.752 -3.080 -26.236 9 1HE MET 1 1HE MET 1 9.908 -6.781 -25.226 10 2HE MET 1 2HE MET 1 10.717 -5.200 -25.190 11 3HE MET 1 3HE MET 1 9.163 -5.431 -24.344 12 H LEU 2 H LEU 2 5.524 -2.538 -24.468 13 HA LEU 2 HA LEU 2 4.339 0.073 -23.653 14 1HB LEU 2 2HB LEU 2 3.104 -2.668 -24.115 15 2HB LEU 2 3HB LEU 2 2.283 -1.273 -23.417 16 HG LEU 2 HG LEU 2 3.324 -0.112 -25.684 17 1HD1 LEU 2 1HD1 LEU 2 2.522 -2.945 -26.485 18 2HD1 LEU 2 2HD1 LEU 2 2.904 -1.604 -27.582 19 3HD1 LEU 2 3HD1 LEU 2 4.172 -2.292 -26.555 20 1HD2 LEU 2 1HD2 LEU 2 0.655 -1.553 -25.437 21 2HD2 LEU 2 2HD2 LEU 2 1.022 0.093 -24.869 22 3HD2 LEU 2 3HD2 LEU 2 1.054 -0.270 -26.602 23 H SER 3 H SER 3 4.619 0.632 -21.598 24 HA SER 3 HA SER 3 3.763 -1.189 -19.555 25 1HB SER 3 2HB SER 3 6.320 -1.396 -19.465 26 2HB SER 3 3HB SER 3 6.373 0.344 -19.100 27 HG SER 3 HG SER 3 5.889 -0.213 -17.085 28 H GLU 4 H GLU 4 2.862 0.227 -17.782 29 HA GLU 4 HA GLU 4 3.134 3.035 -17.988 30 1HB GLU 4 2HB GLU 4 1.177 2.063 -19.702 31 2HB GLU 4 3HB GLU 4 0.247 2.178 -18.196 32 1HG GLU 4 2HG GLU 4 1.137 4.489 -17.920 33 2HG GLU 4 3HG GLU 4 1.940 4.335 -19.495 34 H GLN 5 H GLN 5 2.370 3.970 -16.049 35 HA GLN 5 HA GLN 5 2.179 2.048 -13.843 36 1HB GLN 5 2HB GLN 5 2.509 3.922 -12.430 37 2HB GLN 5 3HB GLN 5 3.711 3.982 -13.718 38 1HG GLN 5 2HG GLN 5 2.348 5.743 -14.868 39 2HG GLN 5 3HG GLN 5 1.176 5.690 -13.540 40 1HE2 GLN 5 1HE2 GLN 5 2.786 5.499 -11.287 41 2HE2 GLN 5 2HE2 GLN 5 3.795 6.887 -11.125 42 H LYS 6 H LYS 6 0.571 2.384 -12.067 43 HA LYS 6 HA LYS 6 -1.921 3.692 -12.875 44 1HB LYS 6 2HB LYS 6 -1.510 0.787 -13.148 45 2HB LYS 6 3HB LYS 6 -2.833 1.136 -12.050 46 1HG LYS 6 2HG LYS 6 -2.710 2.539 -14.727 47 2HG LYS 6 3HG LYS 6 -3.263 0.870 -14.601 48 1HD LYS 6 2HD LYS 6 -4.983 1.511 -12.946 49 2HD LYS 6 3HD LYS 6 -4.447 3.200 -13.012 50 1HE LYS 6 2HE LYS 6 -5.081 3.365 -15.378 51 2HE LYS 6 3HE LYS 6 -5.531 1.652 -15.410 52 1HZ LYS 6 1HZ LYS 6 -7.435 3.086 -15.146 53 2HZ LYS 6 2HZ LYS 6 -7.260 2.127 -13.823 54 3HZ LYS 6 3HZ LYS 6 -6.840 3.715 -13.746 55 H GLU 7 H GLU 7 -3.422 3.794 -11.283 56 HA GLU 7 HA GLU 7 -2.496 3.843 -8.498 57 1HB GLU 7 2HB GLU 7 -4.950 4.764 -8.312 58 2HB GLU 7 3HB GLU 7 -3.688 5.807 -8.967 59 1HG GLU 7 2HG GLU 7 -4.419 5.483 -11.237 60 2HG GLU 7 3HG GLU 7 -5.575 4.217 -10.732 61 H ILE 8 H ILE 8 -2.687 1.974 -7.424 62 HA ILE 8 HA ILE 8 -4.968 0.142 -8.044 63 HB ILE 8 HB ILE 8 -2.366 -0.561 -7.797 64 1HG1 ILE 8 2HG1 ILE 8 -3.319 -2.812 -6.797 65 2HG1 ILE 8 3HG1 ILE 8 -4.886 -2.041 -7.074 66 1HG2 ILE 8 1HG2 ILE 8 -2.083 0.327 -5.570 67 2HG2 ILE 8 2HG2 ILE 8 -3.382 -0.695 -4.948 68 3HG2 ILE 8 3HG2 ILE 8 -1.905 -1.439 -5.549 69 1HD1 ILE 8 1HD1 ILE 8 -4.195 -3.346 -9.048 70 2HD1 ILE 8 2HD1 ILE 8 -4.145 -1.619 -9.472 71 3HD1 ILE 8 3HD1 ILE 8 -2.640 -2.492 -9.100 72 H ALA 9 H ALA 9 -6.263 -0.468 -6.148 73 HA ALA 9 HA ALA 9 -5.797 0.987 -3.667 74 1HB ALA 9 1HB ALA 9 -8.151 1.706 -3.473 75 2HB ALA 9 2HB ALA 9 -7.394 2.471 -4.884 76 3HB ALA 9 3HB ALA 9 -8.488 1.087 -5.104 77 H MET 10 H MET 10 -6.272 -0.238 -1.886 78 HA MET 10 HA MET 10 -8.136 -2.442 -2.106 79 1HB MET 10 2HB MET 10 -6.611 -4.205 -1.539 80 2HB MET 10 3HB MET 10 -6.298 -3.594 -3.153 81 1HG MET 10 2HG MET 10 -4.684 -2.410 -0.894 82 2HG MET 10 3HG MET 10 -4.329 -4.055 -1.441 83 1HE MET 10 1HE MET 10 -1.411 -1.859 -2.870 84 2HE MET 10 2HE MET 10 -2.343 -1.448 -1.415 85 3HE MET 10 3HE MET 10 -1.823 -3.132 -1.700 86 H GLN 11 H GLN 11 -8.100 -3.777 -0.004 87 HA GLN 11 HA GLN 11 -8.247 -1.803 2.168 88 1HB GLN 11 2HB GLN 11 -9.330 -4.528 2.598 89 2HB GLN 11 3HB GLN 11 -9.886 -2.960 3.141 90 1HG GLN 11 2HG GLN 11 -11.553 -3.490 1.671 91 2HG GLN 11 3HG GLN 11 -10.509 -2.599 0.561 92 1HE2 GLN 11 1HE2 GLN 11 -9.888 -3.836 -1.332 93 2HE2 GLN 11 2HE2 GLN 11 -9.745 -5.573 -1.332 94 H VAL 12 H VAL 12 -7.467 -2.257 4.308 95 HA VAL 12 HA VAL 12 -5.169 -4.180 4.334 96 HB VAL 12 HB VAL 12 -5.144 -1.749 6.091 97 1HG1 VAL 12 1HG1 VAL 12 -2.992 -3.301 4.589 98 2HG1 VAL 12 2HG1 VAL 12 -2.726 -2.018 5.783 99 3HG1 VAL 12 3HG1 VAL 12 -3.425 -3.566 6.296 100 1HG2 VAL 12 1HG2 VAL 12 -5.582 -0.704 3.962 101 2HG2 VAL 12 2HG2 VAL 12 -3.841 -0.586 4.277 102 3HG2 VAL 12 3HG2 VAL 12 -4.458 -1.817 3.137 103 H SER 13 H SER 13 -4.952 -5.587 5.973 104 HA SER 13 HA SER 13 -7.077 -5.686 8.027 105 1HB SER 13 2HB SER 13 -6.335 -7.662 6.543 106 2HB SER 13 3HB SER 13 -4.858 -7.690 7.526 107 HG SER 13 HG SER 13 -6.637 -9.050 8.284 108 H GLY 14 H GLY 14 -6.637 -5.102 10.107 109 1HA GLY 14 2HA GLY 14 -5.281 -5.344 12.041 110 2HA GLY 14 3HA GLY 14 -3.819 -5.035 11.117 111 H MET 15 H MET 15 -5.707 -2.697 9.823 112 HA MET 15 HA MET 15 -4.776 -0.503 11.150 113 1HB MET 15 2HB MET 15 -5.993 -0.771 8.927 114 2HB MET 15 3HB MET 15 -7.517 -0.828 9.821 115 1HG MET 15 2HG MET 15 -5.435 1.359 9.868 116 2HG MET 15 3HG MET 15 -6.899 1.414 8.927 117 1HE MET 15 1HE MET 15 -9.223 0.450 10.812 118 2HE MET 15 2HE MET 15 -9.727 2.015 11.487 119 3HE MET 15 3HE MET 15 -9.307 1.893 9.766 120 H THR 16 H THR 16 -4.974 -0.015 13.286 121 HA THR 16 HA THR 16 -7.627 -0.227 14.633 122 HB THR 16 HB THR 16 -6.081 -1.038 16.636 123 HG1 THR 16 1HG THR 16 -4.665 -2.077 14.396 124 1HG2 THR 16 1HG2 THR 16 -6.819 -2.930 14.364 125 2HG2 THR 16 2HG2 THR 16 -6.487 -3.368 16.049 126 3HG2 THR 16 3HG2 THR 16 -7.905 -2.379 15.654 127 H CYS 17 H CYS 17 -6.080 2.013 13.443 128 HA CYS 17 HA CYS 17 -6.034 3.818 15.809 129 1HB CYS 17 2HB CYS 17 -3.860 3.627 13.687 130 2HB CYS 17 3HB CYS 17 -3.926 4.859 14.975 131 HG CYS 17 HG CYS 17 -2.074 3.349 15.709 132 H ALA 18 H ALA 18 -5.185 6.083 14.200 133 HA ALA 18 HA ALA 18 -7.318 6.266 12.106 134 1HB ALA 18 1HB ALA 18 -5.961 8.459 13.713 135 2HB ALA 18 2HB ALA 18 -7.250 8.663 12.506 136 3HB ALA 18 3HB ALA 18 -7.584 7.797 14.017 137 H ALA 19 H ALA 19 -3.984 5.756 12.383 138 HA ALA 19 HA ALA 19 -3.508 6.696 9.631 139 1HB ALA 19 1HB ALA 19 -1.637 8.153 10.267 140 2HB ALA 19 2HB ALA 19 -3.140 8.726 11.006 141 3HB ALA 19 3HB ALA 19 -1.953 7.841 11.988 142 H CYS 20 H CYS 20 -3.599 4.123 10.660 143 HA CYS 20 HA CYS 20 -0.863 3.063 11.050 144 1HB CYS 20 2HB CYS 20 -3.618 1.913 10.836 145 2HB CYS 20 3HB CYS 20 -2.281 0.862 10.361 146 HG CYS 20 HG CYS 20 -2.346 2.573 13.153 147 H ALA 21 H ALA 21 -3.365 2.654 8.509 148 HA ALA 21 HA ALA 21 -1.778 1.586 6.508 149 1HB ALA 21 1HB ALA 21 -4.123 1.587 6.293 150 2HB ALA 21 2HB ALA 21 -4.166 3.375 6.198 151 3HB ALA 21 3HB ALA 21 -3.417 2.420 4.902 152 H ALA 22 H ALA 22 -2.160 4.994 7.364 153 HA ALA 22 HA ALA 22 -0.781 6.229 5.270 154 1HB ALA 22 1HB ALA 22 -0.282 7.968 6.955 155 2HB ALA 22 2HB ALA 22 -1.944 7.360 7.177 156 3HB ALA 22 3HB ALA 22 -0.661 6.818 8.262 157 H ARG 23 H ARG 23 0.605 4.758 8.263 158 HA ARG 23 HA ARG 23 3.366 5.399 7.507 159 1HB ARG 23 2HB ARG 23 2.177 3.616 9.671 160 2HB ARG 23 3HB ARG 23 3.892 4.005 9.522 161 1HG ARG 23 2HG ARG 23 1.726 6.131 9.863 162 2HG ARG 23 3HG ARG 23 2.549 5.360 11.221 163 1HD ARG 23 2HD ARG 23 4.693 6.195 10.556 164 2HD ARG 23 3HD ARG 23 4.062 6.809 9.010 165 HE ARG 23 HE ARG 23 2.571 8.006 11.083 166 1HH1 ARG 23 2HH2 ARG 23 5.870 8.008 9.862 167 2HH1 ARG 23 1HH2 ARG 23 6.186 9.681 10.202 168 1HH2 ARG 23 2HH1 ARG 23 2.927 10.259 11.532 169 2HH2 ARG 23 1HH1 ARG 23 4.457 10.990 11.184 170 H ILE 24 H ILE 24 1.303 2.518 7.548 171 HA ILE 24 HA ILE 24 3.170 0.616 6.654 172 HB ILE 24 HB ILE 24 0.213 0.930 6.072 173 1HG1 ILE 24 2HG1 ILE 24 1.599 -0.925 8.041 174 2HG1 ILE 24 3HG1 ILE 24 1.046 0.672 8.517 175 1HG2 ILE 24 1HG2 ILE 24 0.204 -1.501 5.550 176 2HG2 ILE 24 2HG2 ILE 24 1.133 -0.550 4.400 177 3HG2 ILE 24 3HG2 ILE 24 1.978 -1.506 5.643 178 1HD1 ILE 24 1HD1 ILE 24 -1.295 0.065 7.852 179 2HD1 ILE 24 2HD1 ILE 24 -0.745 -1.591 7.562 180 3HD1 ILE 24 3HD1 ILE 24 -0.639 -0.857 9.172 181 H GLU 25 H GLU 25 1.023 2.745 4.667 182 HA GLU 25 HA GLU 25 2.140 1.768 2.253 183 1HB GLU 25 2HB GLU 25 -0.062 3.444 2.905 184 2HB GLU 25 3HB GLU 25 1.022 4.487 1.995 185 1HG GLU 25 2HG GLU 25 -0.169 1.837 1.097 186 2HG GLU 25 3HG GLU 25 -0.503 3.468 0.469 187 H LYS 26 H LYS 26 2.774 4.767 4.281 188 HA LYS 26 HA LYS 26 4.554 6.062 2.579 189 1HB LYS 26 2HB LYS 26 4.250 5.818 5.562 190 2HB LYS 26 3HB LYS 26 5.610 6.697 4.918 191 1HG LYS 26 2HG LYS 26 2.855 7.329 3.831 192 2HG LYS 26 3HG LYS 26 3.308 7.924 5.434 193 1HD LYS 26 2HD LYS 26 5.302 9.000 4.561 194 2HD LYS 26 3HD LYS 26 5.007 8.365 2.929 195 1HE LYS 26 2HE LYS 26 3.026 9.733 2.655 196 2HE LYS 26 3HE LYS 26 2.921 10.075 4.387 197 1HZ LYS 26 1HZ LYS 26 3.727 11.951 3.170 198 2HZ LYS 26 2HZ LYS 26 4.858 11.429 4.234 199 3HZ LYS 26 3HZ LYS 26 5.034 11.118 2.626 200 H GLY 27 H GLY 27 5.167 3.284 4.735 201 1HA GLY 27 2HA GLY 27 7.941 2.926 4.256 202 2HA GLY 27 3HA GLY 27 6.746 1.650 4.520 203 H LEU 28 H LEU 28 5.109 1.779 2.280 204 HA LEU 28 HA LEU 28 6.730 0.639 0.190 205 1HB LEU 28 2HB LEU 28 3.882 1.630 0.124 206 2HB LEU 28 3HB LEU 28 4.662 0.686 -1.130 207 HG LEU 28 HG LEU 28 4.349 -0.416 1.687 208 1HD1 LEU 28 1HD1 LEU 28 2.192 -0.182 0.894 209 2HD1 LEU 28 2HD1 LEU 28 2.618 -0.532 -0.781 210 3HD1 LEU 28 3HD1 LEU 28 2.647 -1.828 0.417 211 1HD2 LEU 28 1HD2 LEU 28 5.442 -1.595 -0.910 212 2HD2 LEU 28 2HD2 LEU 28 6.196 -1.514 0.680 213 3HD2 LEU 28 3HD2 LEU 28 4.824 -2.588 0.417 214 H LYS 29 H LYS 29 5.482 3.948 0.748 215 HA LYS 29 HA LYS 29 6.134 4.911 -1.831 216 1HB LYS 29 2HB LYS 29 4.802 6.263 -0.555 217 2HB LYS 29 3HB LYS 29 5.929 6.376 0.783 218 1HG LYS 29 2HG LYS 29 7.505 7.679 -0.463 219 2HG LYS 29 3HG LYS 29 6.627 7.443 -1.984 220 1HD LYS 29 2HD LYS 29 5.408 8.795 0.455 221 2HD LYS 29 3HD LYS 29 6.347 9.685 -0.752 222 1HE LYS 29 2HE LYS 29 4.322 7.942 -2.012 223 2HE LYS 29 3HE LYS 29 3.584 9.030 -0.850 224 1HZ LYS 29 1HZ LYS 29 3.660 10.229 -2.895 225 2HZ LYS 29 2HZ LYS 29 4.833 10.884 -2.030 226 3HZ LYS 29 3HZ LYS 29 5.171 9.795 -3.238 227 H ARG 30 H ARG 30 8.303 3.816 0.670 228 HA ARG 30 HA ARG 30 10.651 5.062 -0.607 229 1HB ARG 30 2HB ARG 30 10.122 3.563 1.855 230 2HB ARG 30 3HB ARG 30 11.494 2.913 1.001 231 1HG ARG 30 2HG ARG 30 12.249 4.545 2.528 232 2HG ARG 30 3HG ARG 30 12.486 5.241 0.929 233 1HD ARG 30 2HD ARG 30 9.879 5.818 2.377 234 2HD ARG 30 3HD ARG 30 11.377 6.530 3.016 235 HE ARG 30 HE ARG 30 11.089 6.954 0.161 236 1HH1 ARG 30 2HH2 ARG 30 9.950 8.101 3.273 237 2HH1 ARG 30 1HH2 ARG 30 9.941 9.790 2.861 238 1HH2 ARG 30 2HH1 ARG 30 11.055 9.195 -0.477 239 2HH2 ARG 30 1HH1 ARG 30 10.532 10.414 0.637 240 H MET 31 H MET 31 8.690 2.323 -1.454 241 HA MET 31 HA MET 31 10.843 0.641 -2.297 242 1HB MET 31 2HB MET 31 7.865 0.595 -2.901 243 2HB MET 31 3HB MET 31 8.985 -0.609 -3.515 244 1HG MET 31 2HG MET 31 8.799 0.032 -0.559 245 2HG MET 31 3HG MET 31 7.783 -1.186 -1.323 246 1HE MET 31 1HE MET 31 10.132 -4.064 -2.198 247 2HE MET 31 2HE MET 31 8.456 -3.557 -1.882 248 3HE MET 31 3HE MET 31 9.363 -2.856 -3.246 249 HA PRO 32 HA PRO 32 11.833 2.736 -6.061 250 1HB PRO 32 2HB PRO 32 13.183 0.783 -7.437 251 2HB PRO 32 3HB PRO 32 13.824 1.538 -5.950 252 1HG PRO 32 2HG PRO 32 12.315 -1.087 -6.174 253 2HG PRO 32 3HG PRO 32 13.869 -0.790 -5.347 254 1HD PRO 32 2HD PRO 32 11.526 -0.797 -3.991 255 2HD PRO 32 3HD PRO 32 12.796 0.401 -3.589 256 H GLY 33 H GLY 33 9.724 3.142 -7.076 257 1HA GLY 33 2HA GLY 33 9.123 2.529 -9.549 258 2HA GLY 33 3HA GLY 33 8.630 1.019 -8.850 259 H VAL 34 H VAL 34 7.976 2.713 -6.256 260 HA VAL 34 HA VAL 34 5.234 3.376 -6.880 261 HB VAL 34 HB VAL 34 6.262 2.590 -4.674 262 1HG1 VAL 34 1HG1 VAL 34 7.496 4.002 -3.347 263 2HG1 VAL 34 2HG1 VAL 34 8.103 4.510 -4.906 264 3HG1 VAL 34 3HG1 VAL 34 6.877 5.493 -4.103 265 1HG2 VAL 34 1HG2 VAL 34 4.678 3.804 -3.315 266 2HG2 VAL 34 2HG2 VAL 34 4.530 5.090 -4.531 267 3HG2 VAL 34 3HG2 VAL 34 3.958 3.449 -4.890 268 H THR 35 H THR 35 4.335 5.478 -7.000 269 HA THR 35 HA THR 35 6.262 7.770 -7.137 270 HB THR 35 HB THR 35 3.665 8.483 -8.191 271 HG1 THR 35 1HG THR 35 4.890 6.173 -9.282 272 1HG2 THR 35 1HG2 THR 35 6.381 8.161 -9.550 273 2HG2 THR 35 2HG2 THR 35 4.980 9.048 -10.190 274 3HG2 THR 35 3HG2 THR 35 5.790 9.623 -8.721 275 H ASP 36 H ASP 36 2.851 6.909 -6.263 276 HA ASP 36 HA ASP 36 3.166 8.574 -3.858 277 1HB ASP 36 2HB ASP 36 1.463 9.248 -6.235 278 2HB ASP 36 3HB ASP 36 0.851 9.632 -4.619 279 H ALA 37 H ALA 37 1.812 8.371 -2.212 280 HA ALA 37 HA ALA 37 0.124 5.916 -2.160 281 1HB ALA 37 1HB ALA 37 2.137 6.067 -0.625 282 2HB ALA 37 2HB ALA 37 1.388 7.478 0.136 283 3HB ALA 37 3HB ALA 37 0.571 5.901 0.205 284 H ASN 38 H ASN 38 -2.014 6.196 -1.260 285 HA ASN 38 HA ASN 38 -2.810 8.820 -0.214 286 1HB ASN 38 2HB ASN 38 -3.350 8.084 -2.974 287 2HB ASN 38 3HB ASN 38 -4.871 8.092 -2.083 288 1HD2 ASN 38 1HD2 ASN 38 -1.858 10.130 -2.034 289 2HD2 ASN 38 2HD2 ASN 38 -2.745 11.642 -2.200 290 H VAL 39 H VAL 39 -3.385 8.085 1.711 291 HA VAL 39 HA VAL 39 -4.681 5.486 2.050 292 HB VAL 39 HB VAL 39 -2.897 6.075 3.521 293 1HG1 VAL 39 1HG1 VAL 39 -4.532 8.513 4.366 294 2HG1 VAL 39 2HG1 VAL 39 -3.088 7.909 5.189 295 3HG1 VAL 39 3HG1 VAL 39 -2.953 8.534 3.551 296 1HG2 VAL 39 1HG2 VAL 39 -3.955 5.673 5.658 297 2HG2 VAL 39 2HG2 VAL 39 -5.500 6.292 5.052 298 3HG2 VAL 39 3HG2 VAL 39 -4.838 4.768 4.405 299 H ASN 40 H ASN 40 -6.788 5.047 2.700 300 HA ASN 40 HA ASN 40 -8.581 7.307 3.233 301 1HB ASN 40 2HB ASN 40 -8.652 6.650 0.772 302 2HB ASN 40 3HB ASN 40 -9.280 5.077 1.271 303 1HD2 ASN 40 1HD2 ASN 40 -11.261 5.698 0.010 304 2HD2 ASN 40 2HD2 ASN 40 -12.452 6.689 0.830 305 H LEU 41 H LEU 41 -7.929 6.262 5.375 306 HA LEU 41 HA LEU 41 -9.087 3.715 6.007 307 1HB LEU 41 2HB LEU 41 -8.191 5.995 7.828 308 2HB LEU 41 3HB LEU 41 -8.704 4.398 8.391 309 HG LEU 41 HG LEU 41 -6.369 5.016 6.576 310 1HD1 LEU 41 1HD1 LEU 41 -5.932 5.493 8.941 311 2HD1 LEU 41 2HD1 LEU 41 -6.477 3.865 9.388 312 3HD1 LEU 41 3HD1 LEU 41 -5.003 4.069 8.435 313 1HD2 LEU 41 1HD2 LEU 41 -5.988 2.406 7.091 314 2HD2 LEU 41 2HD2 LEU 41 -7.737 2.426 7.230 315 3HD2 LEU 41 3HD2 LEU 41 -6.962 2.940 5.716 316 H ALA 42 H ALA 42 -10.602 6.652 5.507 317 HA ALA 42 HA ALA 42 -12.968 6.386 7.100 318 1HB ALA 42 1HB ALA 42 -12.734 7.321 4.210 319 2HB ALA 42 2HB ALA 42 -14.050 7.676 5.338 320 3HB ALA 42 3HB ALA 42 -12.433 8.354 5.628 321 H THR 43 H THR 43 -11.661 4.571 4.387 322 HA THR 43 HA THR 43 -14.044 2.779 4.343 323 HB THR 43 HB THR 43 -12.160 3.595 2.080 324 HG1 THR 43 1HG THR 43 -14.622 4.623 2.968 325 1HG2 THR 43 1HG2 THR 43 -14.807 2.097 2.105 326 2HG2 THR 43 2HG2 THR 43 -14.091 2.836 0.652 327 3HG2 THR 43 3HG2 THR 43 -13.241 1.526 1.474 328 H GLU 44 H GLU 44 -11.349 2.780 5.932 329 HA GLU 44 HA GLU 44 -9.559 1.438 6.358 330 1HB GLU 44 2HB GLU 44 -11.657 -0.669 5.730 331 2HB GLU 44 3HB GLU 44 -10.141 -0.960 6.589 332 1HG GLU 44 2HG GLU 44 -10.775 0.666 8.335 333 2HG GLU 44 3HG GLU 44 -12.313 0.978 7.513 334 H THR 45 H THR 45 -9.434 2.469 3.705 335 HA THR 45 HA THR 45 -8.207 0.253 2.152 336 HB THR 45 HB THR 45 -10.329 2.260 1.307 337 HG1 THR 45 1HG THR 45 -11.064 0.302 2.205 338 1HG2 THR 45 1HG2 THR 45 -8.693 2.160 -0.544 339 2HG2 THR 45 2HG2 THR 45 -8.783 0.382 -0.521 340 3HG2 THR 45 3HG2 THR 45 -10.202 1.333 -0.956 341 H VAL 46 H VAL 46 -6.529 0.825 0.833 342 HA VAL 46 HA VAL 46 -5.727 3.694 0.881 343 HB VAL 46 HB VAL 46 -4.513 2.681 2.632 344 1HG1 VAL 46 1HG1 VAL 46 -2.984 0.754 2.319 345 2HG1 VAL 46 2HG1 VAL 46 -4.654 0.282 1.966 346 3HG1 VAL 46 3HG1 VAL 46 -3.523 0.573 0.638 347 1HG2 VAL 46 1HG2 VAL 46 -2.254 3.138 1.967 348 2HG2 VAL 46 2HG2 VAL 46 -2.609 2.776 0.258 349 3HG2 VAL 46 3HG2 VAL 46 -3.259 4.236 1.011 350 H ASN 47 H ASN 47 -4.677 4.427 -0.882 351 HA ASN 47 HA ASN 47 -4.747 2.721 -3.291 352 1HB ASN 47 2HB ASN 47 -6.441 4.497 -3.349 353 2HB ASN 47 3HB ASN 47 -5.222 5.712 -2.949 354 1HD2 ASN 47 1HD2 ASN 47 -3.471 6.141 -4.589 355 2HD2 ASN 47 2HD2 ASN 47 -3.905 5.886 -6.272 356 H VAL 48 H VAL 48 -2.918 2.850 -4.657 357 HA VAL 48 HA VAL 48 -0.834 4.757 -3.990 358 HB VAL 48 HB VAL 48 -0.283 3.022 -2.403 359 1HG1 VAL 48 1HG1 VAL 48 -0.157 1.124 -4.759 360 2HG1 VAL 48 2HG1 VAL 48 0.391 0.751 -3.117 361 3HG1 VAL 48 3HG1 VAL 48 -1.323 1.064 -3.413 362 1HG2 VAL 48 1HG2 VAL 48 2.036 2.465 -3.166 363 2HG2 VAL 48 2HG2 VAL 48 1.633 3.088 -4.771 364 3HG2 VAL 48 3HG2 VAL 48 1.620 4.164 -3.354 365 H ILE 49 H ILE 49 0.341 5.306 -5.705 366 HA ILE 49 HA ILE 49 -0.358 4.113 -8.313 367 HB ILE 49 HB ILE 49 0.891 6.828 -7.809 368 1HG1 ILE 49 2HG1 ILE 49 -1.728 7.254 -8.715 369 2HG1 ILE 49 3HG1 ILE 49 -1.938 5.979 -7.515 370 1HG2 ILE 49 1HG2 ILE 49 1.168 5.759 -10.061 371 2HG2 ILE 49 2HG2 ILE 49 -0.595 5.674 -10.210 372 3HG2 ILE 49 3HG2 ILE 49 0.217 7.250 -10.113 373 1HD1 ILE 49 1HD1 ILE 49 -0.604 8.681 -7.104 374 2HD1 ILE 49 2HD1 ILE 49 -2.192 8.179 -6.501 375 3HD1 ILE 49 3HD1 ILE 49 -0.730 7.419 -5.854 376 H TYR 50 H TYR 50 1.133 2.817 -9.183 377 HA TYR 50 HA TYR 50 4.009 3.356 -8.807 378 1HB TYR 50 2HB TYR 50 4.414 0.914 -8.303 379 2HB TYR 50 3HB TYR 50 3.752 1.827 -6.985 380 HD1 TYR 50 HD1 TYR 50 1.946 0.824 -5.816 381 HD2 TYR 50 HD2 TYR 50 2.655 -0.370 -9.898 382 HE1 TYR 50 HE1 TYR 50 0.359 -1.050 -5.565 383 HE2 TYR 50 HE2 TYR 50 0.978 -2.142 -9.680 384 HH TYR 50 HH TYR 50 -0.745 -2.803 -6.651 385 H ASP 51 H ASP 51 5.364 1.859 -10.173 386 HA ASP 51 HA ASP 51 3.973 1.491 -12.756 387 1HB ASP 51 2HB ASP 51 5.805 3.144 -12.509 388 2HB ASP 51 3HB ASP 51 6.929 1.833 -12.228 389 HA PRO 52 HA PRO 52 4.648 -2.924 -11.907 390 1HB PRO 52 2HB PRO 52 3.577 -4.002 -14.118 391 2HB PRO 52 3HB PRO 52 2.576 -3.145 -12.910 392 1HG PRO 52 2HG PRO 52 3.728 -2.004 -15.477 393 2HG PRO 52 3HG PRO 52 2.022 -1.952 -14.938 394 1HD PRO 52 2HD PRO 52 3.754 0.095 -14.515 395 2HD PRO 52 3HD PRO 52 2.511 -0.314 -13.298 396 H ALA 53 H ALA 53 6.599 -0.996 -13.796 397 HA ALA 53 HA ALA 53 7.950 -3.119 -15.318 398 1HB ALA 53 1HB ALA 53 8.048 -0.817 -16.120 399 2HB ALA 53 2HB ALA 53 8.770 -0.269 -14.600 400 3HB ALA 53 3HB ALA 53 9.677 -1.360 -15.663 401 H GLU 54 H GLU 54 8.759 -1.057 -12.519 402 HA GLU 54 HA GLU 54 10.641 -2.980 -11.373 403 1HB GLU 54 2HB GLU 54 9.407 -0.342 -10.468 404 2HB GLU 54 3HB GLU 54 10.576 -1.245 -9.534 405 1HG GLU 54 2HG GLU 54 11.808 0.442 -10.711 406 2HG GLU 54 3HG GLU 54 12.171 -1.078 -11.544 407 H THR 55 H THR 55 7.363 -1.821 -10.799 408 HA THR 55 HA THR 55 7.192 -3.267 -8.260 409 HB THR 55 HB THR 55 6.897 -0.410 -8.934 410 HG1 THR 55 1HG THR 55 8.913 -0.502 -7.760 411 1HG2 THR 55 1HG2 THR 55 6.838 -0.137 -6.433 412 2HG2 THR 55 2HG2 THR 55 5.387 -0.846 -7.150 413 3HG2 THR 55 3HG2 THR 55 6.546 -1.912 -6.284 414 H GLY 56 H GLY 56 5.451 -4.112 -7.501 415 1HA GLY 56 2HA GLY 56 3.131 -2.654 -7.448 416 2HA GLY 56 3HA GLY 56 2.833 -3.962 -8.628 417 H THR 57 H THR 57 1.302 -4.610 -7.126 418 HA THR 57 HA THR 57 1.143 -5.430 -4.620 419 HB THR 57 HB THR 57 -0.702 -5.750 -5.902 420 HG1 THR 57 1HG THR 57 0.108 -8.438 -5.713 421 1HG2 THR 57 1HG2 THR 57 0.094 -5.861 -8.161 422 2HG2 THR 57 2HG2 THR 57 0.868 -7.442 -7.883 423 3HG2 THR 57 3HG2 THR 57 -0.899 -7.281 -7.855 424 H ALA 58 H ALA 58 2.936 -7.408 -7.035 425 HA ALA 58 HA ALA 58 3.683 -9.565 -5.444 426 1HB ALA 58 1HB ALA 58 5.684 -9.695 -6.904 427 2HB ALA 58 2HB ALA 58 4.207 -9.388 -7.837 428 3HB ALA 58 3HB ALA 58 5.348 -8.065 -7.517 429 H ALA 59 H ALA 59 5.295 -6.348 -5.580 430 HA ALA 59 HA ALA 59 7.427 -7.232 -3.724 431 1HB ALA 59 1HB ALA 59 6.891 -4.522 -5.029 432 2HB ALA 59 2HB ALA 59 8.322 -4.986 -4.086 433 3HB ALA 59 3HB ALA 59 8.008 -5.758 -5.648 434 H ILE 60 H ILE 60 4.492 -5.323 -3.994 435 HA ILE 60 HA ILE 60 4.845 -3.899 -1.580 436 HB ILE 60 HB ILE 60 2.822 -4.145 -3.735 437 1HG1 ILE 60 2HG1 ILE 60 3.689 -1.810 -2.068 438 2HG1 ILE 60 3HG1 ILE 60 4.764 -2.475 -3.301 439 1HG2 ILE 60 1HG2 ILE 60 1.202 -4.477 -2.064 440 2HG2 ILE 60 2HG2 ILE 60 1.958 -3.335 -0.950 441 3HG2 ILE 60 3HG2 ILE 60 1.154 -2.756 -2.420 442 1HD1 ILE 60 1HD1 ILE 60 3.069 -2.053 -5.052 443 2HD1 ILE 60 2HD1 ILE 60 2.025 -1.269 -3.844 444 3HD1 ILE 60 3HD1 ILE 60 3.609 -0.577 -4.229 445 H GLN 61 H GLN 61 2.764 -6.801 -2.211 446 HA GLN 61 HA GLN 61 1.807 -7.013 0.457 447 1HB GLN 61 2HB GLN 61 2.240 -8.966 -1.793 448 2HB GLN 61 3HB GLN 61 2.099 -9.594 -0.146 449 1HG GLN 61 2HG GLN 61 -0.050 -9.748 -0.835 450 2HG GLN 61 3HG GLN 61 -0.054 -8.270 0.103 451 1HE2 GLN 61 1HE2 GLN 61 0.593 -6.272 -1.516 452 2HE2 GLN 61 2HE2 GLN 61 -0.385 -6.274 -2.985 453 H GLU 62 H GLU 62 4.747 -8.398 -1.018 454 HA GLU 62 HA GLU 62 5.856 -9.682 1.149 455 1HB GLU 62 2HB GLU 62 6.682 -8.978 -1.418 456 2HB GLU 62 3HB GLU 62 7.781 -7.996 -0.461 457 1HG GLU 62 2HG GLU 62 7.364 -11.010 -0.172 458 2HG GLU 62 3HG GLU 62 8.627 -10.236 -1.141 459 H LYS 63 H LYS 63 6.324 -6.163 0.401 460 HA LYS 63 HA LYS 63 7.775 -5.875 2.881 461 1HB LYS 63 2HB LYS 63 7.126 -4.218 0.529 462 2HB LYS 63 3HB LYS 63 6.931 -3.362 2.043 463 1HG LYS 63 2HG LYS 63 9.214 -3.091 1.323 464 2HG LYS 63 3HG LYS 63 9.220 -4.106 2.762 465 1HD LYS 63 2HD LYS 63 8.932 -5.737 0.317 466 2HD LYS 63 3HD LYS 63 10.320 -4.683 0.153 467 1HE LYS 63 2HE LYS 63 9.865 -6.625 2.480 468 2HE LYS 63 3HE LYS 63 10.816 -6.961 1.038 469 1HZ LYS 63 1HZ LYS 63 11.439 -4.799 2.915 470 2HZ LYS 63 2HZ LYS 63 12.180 -6.271 2.839 471 3HZ LYS 63 3HZ LYS 63 12.302 -5.229 1.577 472 H ILE 64 H ILE 64 4.338 -5.337 1.947 473 HA ILE 64 HA ILE 64 3.531 -3.934 4.182 474 HB ILE 64 HB ILE 64 2.076 -5.975 2.503 475 1HG1 ILE 64 2HG1 ILE 64 2.729 -3.766 1.449 476 2HG1 ILE 64 3HG1 ILE 64 1.030 -4.249 1.391 477 1HG2 ILE 64 1HG2 ILE 64 0.896 -6.033 4.537 478 2HG2 ILE 64 2HG2 ILE 64 1.149 -4.285 4.831 479 3HG2 ILE 64 3HG2 ILE 64 0.026 -4.843 3.579 480 1HD1 ILE 64 1HD1 ILE 64 1.057 -1.951 1.874 481 2HD1 ILE 64 2HD1 ILE 64 0.646 -2.698 3.385 482 3HD1 ILE 64 3HD1 ILE 64 2.324 -2.140 3.118 483 H GLU 65 H GLU 65 3.830 -7.527 3.664 484 HA GLU 65 HA GLU 65 2.989 -8.487 6.192 485 1HB GLU 65 2HB GLU 65 4.912 -9.398 4.080 486 2HB GLU 65 3HB GLU 65 4.801 -10.280 5.609 487 1HG GLU 65 2HG GLU 65 2.266 -9.621 4.085 488 2HG GLU 65 3HG GLU 65 3.291 -10.953 3.545 489 H LYS 66 H LYS 66 6.150 -7.140 5.201 490 HA LYS 66 HA LYS 66 7.344 -7.660 7.775 491 1HB LYS 66 2HB LYS 66 8.421 -7.551 5.480 492 2HB LYS 66 3HB LYS 66 8.398 -5.791 5.664 493 1HG LYS 66 2HG LYS 66 10.079 -5.823 7.221 494 2HG LYS 66 3HG LYS 66 9.508 -7.267 8.031 495 1HD LYS 66 2HD LYS 66 10.746 -7.472 5.266 496 2HD LYS 66 3HD LYS 66 11.805 -7.289 6.664 497 1HE LYS 66 2HE LYS 66 9.671 -9.477 6.465 498 2HE LYS 66 3HE LYS 66 11.326 -9.689 5.880 499 1HZ LYS 66 1HZ LYS 66 12.134 -9.281 8.089 500 2HZ LYS 66 2HZ LYS 66 10.609 -9.058 8.667 501 3HZ LYS 66 3HZ LYS 66 11.066 -10.527 8.095 502 H LEU 67 H LEU 67 5.737 -4.816 6.267 503 HA LEU 67 HA LEU 67 6.240 -2.984 8.391 504 1HB LEU 67 2HB LEU 67 4.034 -3.369 6.337 505 2HB LEU 67 3HB LEU 67 3.820 -2.222 7.619 506 HG LEU 67 HG LEU 67 4.531 -1.164 5.647 507 1HD1 LEU 67 1HD1 LEU 67 6.905 -1.061 7.536 508 2HD1 LEU 67 2HD1 LEU 67 6.261 0.242 6.523 509 3HD1 LEU 67 3HD1 LEU 67 5.323 -0.333 7.916 510 1HD2 LEU 67 1HD2 LEU 67 6.801 -1.337 4.693 511 2HD2 LEU 67 2HD2 LEU 67 7.052 -2.824 5.626 512 3HD2 LEU 67 3HD2 LEU 67 5.749 -2.716 4.403 513 H GLY 68 H GLY 68 4.396 -5.958 8.297 514 1HA GLY 68 2HA GLY 68 3.912 -7.107 10.262 515 2HA GLY 68 3HA GLY 68 3.805 -5.601 11.180 516 H TYR 69 H TYR 69 2.255 -6.042 8.005 517 HA TYR 69 HA TYR 69 -0.422 -6.508 9.253 518 1HB TYR 69 2HB TYR 69 0.214 -4.225 7.330 519 2HB TYR 69 3HB TYR 69 -1.384 -4.663 7.923 520 HD1 TYR 69 HD1 TYR 69 1.926 -3.303 8.913 521 HD2 TYR 69 HD2 TYR 69 -2.198 -3.810 10.018 522 HE1 TYR 69 HE1 TYR 69 2.284 -1.849 10.857 523 HE2 TYR 69 HE2 TYR 69 -1.900 -2.216 11.878 524 HH TYR 69 HH TYR 69 -0.416 -0.808 12.984 525 H HIS 70 H HIS 70 -2.037 -6.744 7.345 526 HA HIS 70 HA HIS 70 -0.695 -8.062 5.025 527 1HB HIS 70 2HB HIS 70 -1.291 -10.039 5.842 528 2HB HIS 70 3HB HIS 70 -2.315 -9.346 7.089 529 HD1 HIS 70 1HD HIS 70 -2.844 -9.609 3.191 530 HD2 HIS 70 2HD HIS 70 -4.702 -10.095 6.940 531 HE1 HIS 70 1HE HIS 70 -5.181 -10.417 2.726 532 H VAL 71 H VAL 71 -1.324 -7.100 3.273 533 HA VAL 71 HA VAL 71 -3.864 -5.549 3.238 534 HB VAL 71 HB VAL 71 -1.711 -4.547 2.400 535 1HG1 VAL 71 1HG1 VAL 71 -0.973 -5.069 0.139 536 2HG1 VAL 71 2HG1 VAL 71 -0.848 -6.513 1.160 537 3HG1 VAL 71 3HG1 VAL 71 -2.187 -6.351 -0.012 538 1HG2 VAL 71 1HG2 VAL 71 -4.108 -4.664 0.610 539 2HG2 VAL 71 2HG2 VAL 71 -3.782 -3.528 1.925 540 3HG2 VAL 71 3HG2 VAL 71 -2.783 -3.481 0.467 541 H VAL 72 H VAL 72 -5.539 -6.031 1.760 542 HA VAL 72 HA VAL 72 -5.502 -8.825 0.579 543 HB VAL 72 HB VAL 72 -7.990 -8.256 0.183 544 1HG1 VAL 72 1HG1 VAL 72 -7.082 -8.870 3.007 545 2HG1 VAL 72 2HG1 VAL 72 -8.666 -9.223 2.291 546 3HG1 VAL 72 3HG1 VAL 72 -7.231 -10.051 1.674 547 1HG2 VAL 72 1HG2 VAL 72 -7.889 -5.892 0.937 548 2HG2 VAL 72 2HG2 VAL 72 -9.055 -6.882 1.850 549 3HG2 VAL 72 3HG2 VAL 72 -7.518 -6.461 2.594 550 H ILE 73 H ILE 73 -6.358 -9.067 -1.590 551 HA ILE 73 HA ILE 73 -6.344 -6.563 -3.202 552 HB ILE 73 HB ILE 73 -5.410 -9.334 -4.054 553 1HG1 ILE 73 2HG1 ILE 73 -3.737 -8.165 -2.617 554 2HG1 ILE 73 3HG1 ILE 73 -3.221 -8.505 -4.253 555 1HG2 ILE 73 1HG2 ILE 73 -4.781 -8.161 -6.178 556 2HG2 ILE 73 2HG2 ILE 73 -6.524 -8.224 -5.899 557 3HG2 ILE 73 3HG2 ILE 73 -5.645 -6.715 -5.602 558 1HD1 ILE 73 1HD1 ILE 73 -3.497 -6.157 -4.904 559 2HD1 ILE 73 2HD1 ILE 73 -4.214 -5.768 -3.324 560 3HD1 ILE 73 3HD1 ILE 73 -2.520 -6.254 -3.435 561 H GLU 74 H GLU 74 -8.431 -6.250 -3.165 562 HA GLU 74 HA GLU 74 -10.548 -8.136 -3.322 563 1HB GLU 74 2HB GLU 74 -11.892 -6.126 -4.162 564 2HB GLU 74 3HB GLU 74 -11.197 -6.049 -2.570 565 1HG GLU 74 2HG GLU 74 -9.269 -4.627 -3.610 566 2HG GLU 74 3HG GLU 74 -10.214 -4.656 -5.099 567 H GLY 75 H GLY 75 -9.382 -9.582 -4.988 568 1HA GLY 75 2HA GLY 75 -11.202 -9.779 -7.076 569 2HA GLY 75 3HA GLY 75 -9.836 -8.910 -7.790 570 H ARG 76 H ARG 76 -7.543 -10.166 -6.797 571 HA ARG 76 HA ARG 76 -7.772 -12.987 -7.466 572 1HB ARG 76 2HB ARG 76 -7.759 -11.335 -9.644 573 2HB ARG 76 3HB ARG 76 -6.038 -11.285 -9.247 574 1HG ARG 76 2HG ARG 76 -6.358 -13.949 -9.134 575 2HG ARG 76 3HG ARG 76 -7.783 -13.589 -10.118 576 1HD ARG 76 2HD ARG 76 -6.099 -13.944 -11.762 577 2HD ARG 76 3HD ARG 76 -6.164 -12.197 -11.613 578 HE ARG 76 HE ARG 76 -4.050 -12.156 -10.686 579 1HH1 ARG 76 2HH2 ARG 76 -5.308 -15.418 -10.459 580 2HH1 ARG 76 1HH2 ARG 76 -3.797 -16.182 -10.070 581 1HH2 ARG 76 2HH1 ARG 76 -2.003 -13.100 -10.115 582 2HH2 ARG 76 1HH1 ARG 76 -1.872 -14.808 -9.849 Start of MODEL 12 1 1H MET 1 H1 MET 1 8.899 -1.513 -23.562 2 2H MET 1 H2 MET 1 9.833 -1.287 -24.916 3 3H MET 1 H3 MET 1 8.881 -0.060 -24.315 4 HA MET 1 HA MET 1 7.891 -0.967 -26.257 5 1HB MET 1 2HB MET 1 7.836 -3.475 -24.528 6 2HB MET 1 3HB MET 1 6.739 -3.230 -25.901 7 1HG MET 1 2HG MET 1 8.492 -3.025 -27.471 8 2HG MET 1 3HG MET 1 9.752 -3.080 -26.236 9 1HE MET 1 1HE MET 1 9.908 -6.781 -25.226 10 2HE MET 1 2HE MET 1 10.717 -5.200 -25.190 11 3HE MET 1 3HE MET 1 9.163 -5.431 -24.344 12 H LEU 2 H LEU 2 5.524 -2.538 -24.468 13 HA LEU 2 HA LEU 2 4.339 0.073 -23.653 14 1HB LEU 2 2HB LEU 2 3.104 -2.668 -24.115 15 2HB LEU 2 3HB LEU 2 2.283 -1.273 -23.417 16 HG LEU 2 HG LEU 2 3.324 -0.112 -25.684 17 1HD1 LEU 2 1HD1 LEU 2 2.522 -2.945 -26.485 18 2HD1 LEU 2 2HD1 LEU 2 2.904 -1.604 -27.582 19 3HD1 LEU 2 3HD1 LEU 2 4.172 -2.292 -26.555 20 1HD2 LEU 2 1HD2 LEU 2 0.655 -1.553 -25.437 21 2HD2 LEU 2 2HD2 LEU 2 1.022 0.093 -24.869 22 3HD2 LEU 2 3HD2 LEU 2 1.054 -0.270 -26.602 23 H SER 3 H SER 3 4.619 0.632 -21.598 24 HA SER 3 HA SER 3 3.763 -1.189 -19.555 25 1HB SER 3 2HB SER 3 6.320 -1.396 -19.465 26 2HB SER 3 3HB SER 3 6.373 0.344 -19.100 27 HG SER 3 HG SER 3 5.889 -0.213 -17.085 28 H GLU 4 H GLU 4 2.862 0.227 -17.782 29 HA GLU 4 HA GLU 4 3.134 3.035 -17.988 30 1HB GLU 4 2HB GLU 4 1.177 2.063 -19.702 31 2HB GLU 4 3HB GLU 4 0.247 2.178 -18.196 32 1HG GLU 4 2HG GLU 4 1.137 4.489 -17.920 33 2HG GLU 4 3HG GLU 4 1.940 4.335 -19.495 34 H GLN 5 H GLN 5 2.370 3.970 -16.049 35 HA GLN 5 HA GLN 5 2.179 2.048 -13.843 36 1HB GLN 5 2HB GLN 5 2.509 3.922 -12.430 37 2HB GLN 5 3HB GLN 5 3.711 3.982 -13.718 38 1HG GLN 5 2HG GLN 5 2.348 5.743 -14.868 39 2HG GLN 5 3HG GLN 5 1.176 5.690 -13.540 40 1HE2 GLN 5 1HE2 GLN 5 2.786 5.499 -11.287 41 2HE2 GLN 5 2HE2 GLN 5 3.795 6.887 -11.125 42 H LYS 6 H LYS 6 0.571 2.384 -12.067 43 HA LYS 6 HA LYS 6 -1.921 3.692 -12.875 44 1HB LYS 6 2HB LYS 6 -1.510 0.787 -13.148 45 2HB LYS 6 3HB LYS 6 -2.833 1.136 -12.050 46 1HG LYS 6 2HG LYS 6 -2.710 2.539 -14.727 47 2HG LYS 6 3HG LYS 6 -3.263 0.870 -14.601 48 1HD LYS 6 2HD LYS 6 -4.983 1.511 -12.946 49 2HD LYS 6 3HD LYS 6 -4.447 3.200 -13.012 50 1HE LYS 6 2HE LYS 6 -5.081 3.365 -15.378 51 2HE LYS 6 3HE LYS 6 -5.531 1.652 -15.410 52 1HZ LYS 6 1HZ LYS 6 -7.435 3.086 -15.146 53 2HZ LYS 6 2HZ LYS 6 -7.260 2.127 -13.823 54 3HZ LYS 6 3HZ LYS 6 -6.840 3.715 -13.746 55 H GLU 7 H GLU 7 -3.422 3.794 -11.283 56 HA GLU 7 HA GLU 7 -2.496 3.843 -8.498 57 1HB GLU 7 2HB GLU 7 -4.950 4.764 -8.312 58 2HB GLU 7 3HB GLU 7 -3.688 5.807 -8.967 59 1HG GLU 7 2HG GLU 7 -4.419 5.483 -11.237 60 2HG GLU 7 3HG GLU 7 -5.575 4.217 -10.732 61 H ILE 8 H ILE 8 -2.687 1.974 -7.424 62 HA ILE 8 HA ILE 8 -4.968 0.142 -8.044 63 HB ILE 8 HB ILE 8 -2.366 -0.561 -7.797 64 1HG1 ILE 8 2HG1 ILE 8 -3.319 -2.812 -6.797 65 2HG1 ILE 8 3HG1 ILE 8 -4.886 -2.041 -7.074 66 1HG2 ILE 8 1HG2 ILE 8 -2.083 0.327 -5.570 67 2HG2 ILE 8 2HG2 ILE 8 -3.382 -0.695 -4.948 68 3HG2 ILE 8 3HG2 ILE 8 -1.905 -1.439 -5.549 69 1HD1 ILE 8 1HD1 ILE 8 -4.195 -3.346 -9.048 70 2HD1 ILE 8 2HD1 ILE 8 -4.145 -1.619 -9.472 71 3HD1 ILE 8 3HD1 ILE 8 -2.640 -2.492 -9.100 72 H ALA 9 H ALA 9 -6.263 -0.468 -6.148 73 HA ALA 9 HA ALA 9 -5.797 0.987 -3.667 74 1HB ALA 9 1HB ALA 9 -8.151 1.706 -3.473 75 2HB ALA 9 2HB ALA 9 -7.394 2.471 -4.884 76 3HB ALA 9 3HB ALA 9 -8.488 1.087 -5.104 77 H MET 10 H MET 10 -6.272 -0.238 -1.886 78 HA MET 10 HA MET 10 -8.136 -2.442 -2.106 79 1HB MET 10 2HB MET 10 -6.611 -4.205 -1.539 80 2HB MET 10 3HB MET 10 -6.298 -3.594 -3.153 81 1HG MET 10 2HG MET 10 -4.684 -2.410 -0.894 82 2HG MET 10 3HG MET 10 -4.329 -4.055 -1.441 83 1HE MET 10 1HE MET 10 -1.411 -1.859 -2.870 84 2HE MET 10 2HE MET 10 -2.343 -1.448 -1.415 85 3HE MET 10 3HE MET 10 -1.823 -3.132 -1.700 86 H GLN 11 H GLN 11 -8.100 -3.777 -0.004 87 HA GLN 11 HA GLN 11 -8.247 -1.803 2.168 88 1HB GLN 11 2HB GLN 11 -9.330 -4.528 2.598 89 2HB GLN 11 3HB GLN 11 -9.886 -2.960 3.141 90 1HG GLN 11 2HG GLN 11 -11.553 -3.490 1.671 91 2HG GLN 11 3HG GLN 11 -10.509 -2.599 0.561 92 1HE2 GLN 11 1HE2 GLN 11 -9.888 -3.836 -1.332 93 2HE2 GLN 11 2HE2 GLN 11 -9.745 -5.573 -1.332 94 H VAL 12 H VAL 12 -7.467 -2.257 4.308 95 HA VAL 12 HA VAL 12 -5.169 -4.180 4.334 96 HB VAL 12 HB VAL 12 -5.144 -1.749 6.091 97 1HG1 VAL 12 1HG1 VAL 12 -2.992 -3.301 4.589 98 2HG1 VAL 12 2HG1 VAL 12 -2.726 -2.018 5.783 99 3HG1 VAL 12 3HG1 VAL 12 -3.425 -3.566 6.296 100 1HG2 VAL 12 1HG2 VAL 12 -5.582 -0.704 3.962 101 2HG2 VAL 12 2HG2 VAL 12 -3.841 -0.586 4.277 102 3HG2 VAL 12 3HG2 VAL 12 -4.458 -1.817 3.137 103 H SER 13 H SER 13 -4.952 -5.587 5.973 104 HA SER 13 HA SER 13 -7.077 -5.686 8.027 105 1HB SER 13 2HB SER 13 -6.335 -7.662 6.543 106 2HB SER 13 3HB SER 13 -4.858 -7.690 7.526 107 HG SER 13 HG SER 13 -6.637 -9.050 8.284 108 H GLY 14 H GLY 14 -6.637 -5.102 10.107 109 1HA GLY 14 2HA GLY 14 -5.281 -5.344 12.041 110 2HA GLY 14 3HA GLY 14 -3.819 -5.035 11.117 111 H MET 15 H MET 15 -5.707 -2.697 9.823 112 HA MET 15 HA MET 15 -4.776 -0.503 11.150 113 1HB MET 15 2HB MET 15 -5.993 -0.771 8.927 114 2HB MET 15 3HB MET 15 -7.517 -0.828 9.821 115 1HG MET 15 2HG MET 15 -5.435 1.359 9.868 116 2HG MET 15 3HG MET 15 -6.899 1.414 8.927 117 1HE MET 15 1HE MET 15 -9.223 0.450 10.812 118 2HE MET 15 2HE MET 15 -9.727 2.015 11.487 119 3HE MET 15 3HE MET 15 -9.307 1.893 9.766 120 H THR 16 H THR 16 -4.974 -0.015 13.286 121 HA THR 16 HA THR 16 -7.627 -0.227 14.633 122 HB THR 16 HB THR 16 -6.081 -1.038 16.636 123 HG1 THR 16 1HG THR 16 -4.665 -2.077 14.396 124 1HG2 THR 16 1HG2 THR 16 -6.819 -2.930 14.364 125 2HG2 THR 16 2HG2 THR 16 -6.487 -3.368 16.049 126 3HG2 THR 16 3HG2 THR 16 -7.905 -2.379 15.654 127 H CYS 17 H CYS 17 -6.080 2.013 13.443 128 HA CYS 17 HA CYS 17 -6.034 3.818 15.809 129 1HB CYS 17 2HB CYS 17 -3.860 3.627 13.687 130 2HB CYS 17 3HB CYS 17 -3.926 4.859 14.975 131 HG CYS 17 HG CYS 17 -2.074 3.349 15.709 132 H ALA 18 H ALA 18 -5.185 6.083 14.200 133 HA ALA 18 HA ALA 18 -7.318 6.266 12.106 134 1HB ALA 18 1HB ALA 18 -5.961 8.459 13.713 135 2HB ALA 18 2HB ALA 18 -7.250 8.663 12.506 136 3HB ALA 18 3HB ALA 18 -7.584 7.797 14.017 137 H ALA 19 H ALA 19 -3.984 5.756 12.383 138 HA ALA 19 HA ALA 19 -3.508 6.696 9.631 139 1HB ALA 19 1HB ALA 19 -1.637 8.153 10.267 140 2HB ALA 19 2HB ALA 19 -3.140 8.726 11.006 141 3HB ALA 19 3HB ALA 19 -1.953 7.841 11.988 142 H CYS 20 H CYS 20 -3.599 4.123 10.660 143 HA CYS 20 HA CYS 20 -0.863 3.063 11.050 144 1HB CYS 20 2HB CYS 20 -3.618 1.913 10.836 145 2HB CYS 20 3HB CYS 20 -2.281 0.862 10.361 146 HG CYS 20 HG CYS 20 -2.346 2.573 13.153 147 H ALA 21 H ALA 21 -3.365 2.654 8.509 148 HA ALA 21 HA ALA 21 -1.778 1.586 6.508 149 1HB ALA 21 1HB ALA 21 -4.123 1.587 6.293 150 2HB ALA 21 2HB ALA 21 -4.166 3.375 6.198 151 3HB ALA 21 3HB ALA 21 -3.417 2.420 4.902 152 H ALA 22 H ALA 22 -2.160 4.994 7.364 153 HA ALA 22 HA ALA 22 -0.781 6.229 5.270 154 1HB ALA 22 1HB ALA 22 -0.282 7.968 6.955 155 2HB ALA 22 2HB ALA 22 -1.944 7.360 7.177 156 3HB ALA 22 3HB ALA 22 -0.661 6.818 8.262 157 H ARG 23 H ARG 23 0.605 4.758 8.263 158 HA ARG 23 HA ARG 23 3.366 5.399 7.507 159 1HB ARG 23 2HB ARG 23 2.177 3.616 9.671 160 2HB ARG 23 3HB ARG 23 3.892 4.005 9.522 161 1HG ARG 23 2HG ARG 23 1.726 6.131 9.863 162 2HG ARG 23 3HG ARG 23 2.549 5.360 11.221 163 1HD ARG 23 2HD ARG 23 4.693 6.195 10.556 164 2HD ARG 23 3HD ARG 23 4.062 6.809 9.010 165 HE ARG 23 HE ARG 23 2.571 8.006 11.083 166 1HH1 ARG 23 2HH2 ARG 23 5.870 8.008 9.862 167 2HH1 ARG 23 1HH2 ARG 23 6.186 9.681 10.202 168 1HH2 ARG 23 2HH1 ARG 23 2.927 10.259 11.532 169 2HH2 ARG 23 1HH1 ARG 23 4.457 10.990 11.184 170 H ILE 24 H ILE 24 1.303 2.518 7.548 171 HA ILE 24 HA ILE 24 3.170 0.616 6.654 172 HB ILE 24 HB ILE 24 0.213 0.930 6.072 173 1HG1 ILE 24 2HG1 ILE 24 1.599 -0.925 8.041 174 2HG1 ILE 24 3HG1 ILE 24 1.046 0.672 8.517 175 1HG2 ILE 24 1HG2 ILE 24 0.204 -1.501 5.550 176 2HG2 ILE 24 2HG2 ILE 24 1.133 -0.550 4.400 177 3HG2 ILE 24 3HG2 ILE 24 1.978 -1.506 5.643 178 1HD1 ILE 24 1HD1 ILE 24 -1.295 0.065 7.852 179 2HD1 ILE 24 2HD1 ILE 24 -0.745 -1.591 7.562 180 3HD1 ILE 24 3HD1 ILE 24 -0.639 -0.857 9.172 181 H GLU 25 H GLU 25 1.023 2.745 4.667 182 HA GLU 25 HA GLU 25 2.140 1.768 2.253 183 1HB GLU 25 2HB GLU 25 -0.062 3.444 2.905 184 2HB GLU 25 3HB GLU 25 1.022 4.487 1.995 185 1HG GLU 25 2HG GLU 25 -0.169 1.837 1.097 186 2HG GLU 25 3HG GLU 25 -0.503 3.468 0.469 187 H LYS 26 H LYS 26 2.774 4.767 4.281 188 HA LYS 26 HA LYS 26 4.554 6.062 2.579 189 1HB LYS 26 2HB LYS 26 4.250 5.818 5.562 190 2HB LYS 26 3HB LYS 26 5.610 6.697 4.918 191 1HG LYS 26 2HG LYS 26 2.855 7.329 3.831 192 2HG LYS 26 3HG LYS 26 3.308 7.924 5.434 193 1HD LYS 26 2HD LYS 26 5.302 9.000 4.561 194 2HD LYS 26 3HD LYS 26 5.007 8.365 2.929 195 1HE LYS 26 2HE LYS 26 3.026 9.733 2.655 196 2HE LYS 26 3HE LYS 26 2.921 10.075 4.387 197 1HZ LYS 26 1HZ LYS 26 3.727 11.951 3.170 198 2HZ LYS 26 2HZ LYS 26 4.858 11.429 4.234 199 3HZ LYS 26 3HZ LYS 26 5.034 11.118 2.626 200 H GLY 27 H GLY 27 5.167 3.284 4.735 201 1HA GLY 27 2HA GLY 27 7.941 2.926 4.256 202 2HA GLY 27 3HA GLY 27 6.746 1.650 4.520 203 H LEU 28 H LEU 28 5.109 1.779 2.280 204 HA LEU 28 HA LEU 28 6.730 0.639 0.190 205 1HB LEU 28 2HB LEU 28 3.882 1.630 0.124 206 2HB LEU 28 3HB LEU 28 4.662 0.686 -1.130 207 HG LEU 28 HG LEU 28 4.349 -0.416 1.687 208 1HD1 LEU 28 1HD1 LEU 28 2.192 -0.182 0.894 209 2HD1 LEU 28 2HD1 LEU 28 2.618 -0.532 -0.781 210 3HD1 LEU 28 3HD1 LEU 28 2.647 -1.828 0.417 211 1HD2 LEU 28 1HD2 LEU 28 5.442 -1.595 -0.910 212 2HD2 LEU 28 2HD2 LEU 28 6.196 -1.514 0.680 213 3HD2 LEU 28 3HD2 LEU 28 4.824 -2.588 0.417 214 H LYS 29 H LYS 29 5.482 3.948 0.748 215 HA LYS 29 HA LYS 29 6.134 4.911 -1.831 216 1HB LYS 29 2HB LYS 29 4.802 6.263 -0.555 217 2HB LYS 29 3HB LYS 29 5.929 6.376 0.783 218 1HG LYS 29 2HG LYS 29 7.505 7.679 -0.463 219 2HG LYS 29 3HG LYS 29 6.627 7.443 -1.984 220 1HD LYS 29 2HD LYS 29 5.408 8.795 0.455 221 2HD LYS 29 3HD LYS 29 6.347 9.685 -0.752 222 1HE LYS 29 2HE LYS 29 4.322 7.942 -2.012 223 2HE LYS 29 3HE LYS 29 3.584 9.030 -0.850 224 1HZ LYS 29 1HZ LYS 29 3.660 10.229 -2.895 225 2HZ LYS 29 2HZ LYS 29 4.833 10.884 -2.030 226 3HZ LYS 29 3HZ LYS 29 5.171 9.795 -3.238 227 H ARG 30 H ARG 30 8.303 3.816 0.670 228 HA ARG 30 HA ARG 30 10.651 5.062 -0.607 229 1HB ARG 30 2HB ARG 30 10.122 3.563 1.855 230 2HB ARG 30 3HB ARG 30 11.494 2.913 1.001 231 1HG ARG 30 2HG ARG 30 12.249 4.545 2.528 232 2HG ARG 30 3HG ARG 30 12.486 5.241 0.929 233 1HD ARG 30 2HD ARG 30 9.879 5.818 2.377 234 2HD ARG 30 3HD ARG 30 11.377 6.530 3.016 235 HE ARG 30 HE ARG 30 11.089 6.954 0.161 236 1HH1 ARG 30 2HH2 ARG 30 9.950 8.101 3.273 237 2HH1 ARG 30 1HH2 ARG 30 9.941 9.790 2.861 238 1HH2 ARG 30 2HH1 ARG 30 11.055 9.195 -0.477 239 2HH2 ARG 30 1HH1 ARG 30 10.532 10.414 0.637 240 H MET 31 H MET 31 8.690 2.323 -1.454 241 HA MET 31 HA MET 31 10.843 0.641 -2.297 242 1HB MET 31 2HB MET 31 7.865 0.595 -2.901 243 2HB MET 31 3HB MET 31 8.985 -0.609 -3.515 244 1HG MET 31 2HG MET 31 8.799 0.032 -0.559 245 2HG MET 31 3HG MET 31 7.783 -1.186 -1.323 246 1HE MET 31 1HE MET 31 10.132 -4.064 -2.198 247 2HE MET 31 2HE MET 31 8.456 -3.557 -1.882 248 3HE MET 31 3HE MET 31 9.363 -2.856 -3.246 249 HA PRO 32 HA PRO 32 11.833 2.736 -6.061 250 1HB PRO 32 2HB PRO 32 13.183 0.783 -7.437 251 2HB PRO 32 3HB PRO 32 13.824 1.538 -5.950 252 1HG PRO 32 2HG PRO 32 12.315 -1.087 -6.174 253 2HG PRO 32 3HG PRO 32 13.869 -0.790 -5.347 254 1HD PRO 32 2HD PRO 32 11.526 -0.797 -3.991 255 2HD PRO 32 3HD PRO 32 12.796 0.401 -3.589 256 H GLY 33 H GLY 33 9.724 3.142 -7.076 257 1HA GLY 33 2HA GLY 33 9.123 2.529 -9.549 258 2HA GLY 33 3HA GLY 33 8.630 1.019 -8.850 259 H VAL 34 H VAL 34 7.976 2.713 -6.256 260 HA VAL 34 HA VAL 34 5.234 3.376 -6.880 261 HB VAL 34 HB VAL 34 6.262 2.590 -4.674 262 1HG1 VAL 34 1HG1 VAL 34 7.496 4.002 -3.347 263 2HG1 VAL 34 2HG1 VAL 34 8.103 4.510 -4.906 264 3HG1 VAL 34 3HG1 VAL 34 6.877 5.493 -4.103 265 1HG2 VAL 34 1HG2 VAL 34 4.678 3.804 -3.315 266 2HG2 VAL 34 2HG2 VAL 34 4.530 5.090 -4.531 267 3HG2 VAL 34 3HG2 VAL 34 3.958 3.449 -4.890 268 H THR 35 H THR 35 4.335 5.478 -7.000 269 HA THR 35 HA THR 35 6.262 7.770 -7.137 270 HB THR 35 HB THR 35 3.665 8.483 -8.191 271 HG1 THR 35 1HG THR 35 4.890 6.173 -9.282 272 1HG2 THR 35 1HG2 THR 35 6.381 8.161 -9.550 273 2HG2 THR 35 2HG2 THR 35 4.980 9.048 -10.190 274 3HG2 THR 35 3HG2 THR 35 5.790 9.623 -8.721 275 H ASP 36 H ASP 36 2.851 6.909 -6.263 276 HA ASP 36 HA ASP 36 3.166 8.574 -3.858 277 1HB ASP 36 2HB ASP 36 1.463 9.248 -6.235 278 2HB ASP 36 3HB ASP 36 0.851 9.632 -4.619 279 H ALA 37 H ALA 37 1.812 8.371 -2.212 280 HA ALA 37 HA ALA 37 0.124 5.916 -2.160 281 1HB ALA 37 1HB ALA 37 2.137 6.067 -0.625 282 2HB ALA 37 2HB ALA 37 1.388 7.478 0.136 283 3HB ALA 37 3HB ALA 37 0.571 5.901 0.205 284 H ASN 38 H ASN 38 -2.014 6.196 -1.260 285 HA ASN 38 HA ASN 38 -2.810 8.820 -0.214 286 1HB ASN 38 2HB ASN 38 -3.350 8.084 -2.974 287 2HB ASN 38 3HB ASN 38 -4.871 8.092 -2.083 288 1HD2 ASN 38 1HD2 ASN 38 -1.858 10.130 -2.034 289 2HD2 ASN 38 2HD2 ASN 38 -2.745 11.642 -2.200 290 H VAL 39 H VAL 39 -3.385 8.085 1.711 291 HA VAL 39 HA VAL 39 -4.681 5.486 2.050 292 HB VAL 39 HB VAL 39 -2.897 6.075 3.521 293 1HG1 VAL 39 1HG1 VAL 39 -4.532 8.513 4.366 294 2HG1 VAL 39 2HG1 VAL 39 -3.088 7.909 5.189 295 3HG1 VAL 39 3HG1 VAL 39 -2.953 8.534 3.551 296 1HG2 VAL 39 1HG2 VAL 39 -3.955 5.673 5.658 297 2HG2 VAL 39 2HG2 VAL 39 -5.500 6.292 5.052 298 3HG2 VAL 39 3HG2 VAL 39 -4.838 4.768 4.405 299 H ASN 40 H ASN 40 -6.788 5.047 2.700 300 HA ASN 40 HA ASN 40 -8.581 7.307 3.233 301 1HB ASN 40 2HB ASN 40 -8.652 6.650 0.772 302 2HB ASN 40 3HB ASN 40 -9.280 5.077 1.271 303 1HD2 ASN 40 1HD2 ASN 40 -11.261 5.698 0.010 304 2HD2 ASN 40 2HD2 ASN 40 -12.452 6.689 0.830 305 H LEU 41 H LEU 41 -7.929 6.262 5.375 306 HA LEU 41 HA LEU 41 -9.087 3.715 6.007 307 1HB LEU 41 2HB LEU 41 -8.191 5.995 7.828 308 2HB LEU 41 3HB LEU 41 -8.704 4.398 8.391 309 HG LEU 41 HG LEU 41 -6.369 5.016 6.576 310 1HD1 LEU 41 1HD1 LEU 41 -5.932 5.493 8.941 311 2HD1 LEU 41 2HD1 LEU 41 -6.477 3.865 9.388 312 3HD1 LEU 41 3HD1 LEU 41 -5.003 4.069 8.435 313 1HD2 LEU 41 1HD2 LEU 41 -5.988 2.406 7.091 314 2HD2 LEU 41 2HD2 LEU 41 -7.737 2.426 7.230 315 3HD2 LEU 41 3HD2 LEU 41 -6.962 2.940 5.716 316 H ALA 42 H ALA 42 -10.602 6.652 5.507 317 HA ALA 42 HA ALA 42 -12.968 6.386 7.100 318 1HB ALA 42 1HB ALA 42 -12.734 7.321 4.210 319 2HB ALA 42 2HB ALA 42 -14.050 7.676 5.338 320 3HB ALA 42 3HB ALA 42 -12.433 8.354 5.628 321 H THR 43 H THR 43 -11.661 4.571 4.387 322 HA THR 43 HA THR 43 -14.044 2.779 4.343 323 HB THR 43 HB THR 43 -12.160 3.595 2.080 324 HG1 THR 43 1HG THR 43 -14.622 4.623 2.968 325 1HG2 THR 43 1HG2 THR 43 -14.807 2.097 2.105 326 2HG2 THR 43 2HG2 THR 43 -14.091 2.836 0.652 327 3HG2 THR 43 3HG2 THR 43 -13.241 1.526 1.474 328 H GLU 44 H GLU 44 -11.349 2.780 5.932 329 HA GLU 44 HA GLU 44 -9.559 1.438 6.358 330 1HB GLU 44 2HB GLU 44 -11.657 -0.669 5.730 331 2HB GLU 44 3HB GLU 44 -10.141 -0.960 6.589 332 1HG GLU 44 2HG GLU 44 -10.775 0.666 8.335 333 2HG GLU 44 3HG GLU 44 -12.313 0.978 7.513 334 H THR 45 H THR 45 -9.434 2.469 3.705 335 HA THR 45 HA THR 45 -8.207 0.253 2.152 336 HB THR 45 HB THR 45 -10.329 2.260 1.307 337 HG1 THR 45 1HG THR 45 -11.064 0.302 2.205 338 1HG2 THR 45 1HG2 THR 45 -8.693 2.160 -0.544 339 2HG2 THR 45 2HG2 THR 45 -8.783 0.382 -0.521 340 3HG2 THR 45 3HG2 THR 45 -10.202 1.333 -0.956 341 H VAL 46 H VAL 46 -6.529 0.825 0.833 342 HA VAL 46 HA VAL 46 -5.727 3.694 0.881 343 HB VAL 46 HB VAL 46 -4.513 2.681 2.632 344 1HG1 VAL 46 1HG1 VAL 46 -2.984 0.754 2.319 345 2HG1 VAL 46 2HG1 VAL 46 -4.654 0.282 1.966 346 3HG1 VAL 46 3HG1 VAL 46 -3.523 0.573 0.638 347 1HG2 VAL 46 1HG2 VAL 46 -2.254 3.138 1.967 348 2HG2 VAL 46 2HG2 VAL 46 -2.609 2.776 0.258 349 3HG2 VAL 46 3HG2 VAL 46 -3.259 4.236 1.011 350 H ASN 47 H ASN 47 -4.677 4.427 -0.882 351 HA ASN 47 HA ASN 47 -4.747 2.721 -3.291 352 1HB ASN 47 2HB ASN 47 -6.441 4.497 -3.349 353 2HB ASN 47 3HB ASN 47 -5.222 5.712 -2.949 354 1HD2 ASN 47 1HD2 ASN 47 -3.471 6.141 -4.589 355 2HD2 ASN 47 2HD2 ASN 47 -3.905 5.886 -6.272 356 H VAL 48 H VAL 48 -2.918 2.850 -4.657 357 HA VAL 48 HA VAL 48 -0.834 4.757 -3.990 358 HB VAL 48 HB VAL 48 -0.283 3.022 -2.403 359 1HG1 VAL 48 1HG1 VAL 48 -0.157 1.124 -4.759 360 2HG1 VAL 48 2HG1 VAL 48 0.391 0.751 -3.117 361 3HG1 VAL 48 3HG1 VAL 48 -1.323 1.064 -3.413 362 1HG2 VAL 48 1HG2 VAL 48 2.036 2.465 -3.166 363 2HG2 VAL 48 2HG2 VAL 48 1.633 3.088 -4.771 364 3HG2 VAL 48 3HG2 VAL 48 1.620 4.164 -3.354 365 H ILE 49 H ILE 49 0.341 5.306 -5.705 366 HA ILE 49 HA ILE 49 -0.358 4.113 -8.313 367 HB ILE 49 HB ILE 49 0.891 6.828 -7.809 368 1HG1 ILE 49 2HG1 ILE 49 -1.728 7.254 -8.715 369 2HG1 ILE 49 3HG1 ILE 49 -1.938 5.979 -7.515 370 1HG2 ILE 49 1HG2 ILE 49 1.168 5.759 -10.061 371 2HG2 ILE 49 2HG2 ILE 49 -0.595 5.674 -10.210 372 3HG2 ILE 49 3HG2 ILE 49 0.217 7.250 -10.113 373 1HD1 ILE 49 1HD1 ILE 49 -0.604 8.681 -7.104 374 2HD1 ILE 49 2HD1 ILE 49 -2.192 8.179 -6.501 375 3HD1 ILE 49 3HD1 ILE 49 -0.730 7.419 -5.854 376 H TYR 50 H TYR 50 1.133 2.817 -9.183 377 HA TYR 50 HA TYR 50 4.009 3.356 -8.807 378 1HB TYR 50 2HB TYR 50 4.414 0.914 -8.303 379 2HB TYR 50 3HB TYR 50 3.752 1.827 -6.985 380 HD1 TYR 50 HD1 TYR 50 1.946 0.824 -5.816 381 HD2 TYR 50 HD2 TYR 50 2.655 -0.370 -9.898 382 HE1 TYR 50 HE1 TYR 50 0.359 -1.050 -5.565 383 HE2 TYR 50 HE2 TYR 50 0.978 -2.142 -9.680 384 HH TYR 50 HH TYR 50 -0.745 -2.803 -6.651 385 H ASP 51 H ASP 51 5.364 1.859 -10.173 386 HA ASP 51 HA ASP 51 3.973 1.491 -12.756 387 1HB ASP 51 2HB ASP 51 5.805 3.144 -12.509 388 2HB ASP 51 3HB ASP 51 6.929 1.833 -12.228 389 HA PRO 52 HA PRO 52 4.648 -2.924 -11.907 390 1HB PRO 52 2HB PRO 52 3.577 -4.002 -14.118 391 2HB PRO 52 3HB PRO 52 2.576 -3.145 -12.910 392 1HG PRO 52 2HG PRO 52 3.728 -2.004 -15.477 393 2HG PRO 52 3HG PRO 52 2.022 -1.952 -14.938 394 1HD PRO 52 2HD PRO 52 3.754 0.095 -14.515 395 2HD PRO 52 3HD PRO 52 2.511 -0.314 -13.298 396 H ALA 53 H ALA 53 6.599 -0.996 -13.796 397 HA ALA 53 HA ALA 53 7.950 -3.119 -15.318 398 1HB ALA 53 1HB ALA 53 8.048 -0.817 -16.120 399 2HB ALA 53 2HB ALA 53 8.770 -0.269 -14.600 400 3HB ALA 53 3HB ALA 53 9.677 -1.360 -15.663 401 H GLU 54 H GLU 54 8.759 -1.057 -12.519 402 HA GLU 54 HA GLU 54 10.641 -2.980 -11.373 403 1HB GLU 54 2HB GLU 54 9.407 -0.342 -10.468 404 2HB GLU 54 3HB GLU 54 10.576 -1.245 -9.534 405 1HG GLU 54 2HG GLU 54 11.808 0.442 -10.711 406 2HG GLU 54 3HG GLU 54 12.171 -1.078 -11.544 407 H THR 55 H THR 55 7.363 -1.821 -10.799 408 HA THR 55 HA THR 55 7.192 -3.267 -8.260 409 HB THR 55 HB THR 55 6.897 -0.410 -8.934 410 HG1 THR 55 1HG THR 55 8.913 -0.502 -7.760 411 1HG2 THR 55 1HG2 THR 55 6.838 -0.137 -6.433 412 2HG2 THR 55 2HG2 THR 55 5.387 -0.846 -7.150 413 3HG2 THR 55 3HG2 THR 55 6.546 -1.912 -6.284 414 H GLY 56 H GLY 56 5.451 -4.112 -7.501 415 1HA GLY 56 2HA GLY 56 3.131 -2.654 -7.448 416 2HA GLY 56 3HA GLY 56 2.833 -3.962 -8.628 417 H THR 57 H THR 57 1.302 -4.610 -7.126 418 HA THR 57 HA THR 57 1.143 -5.430 -4.620 419 HB THR 57 HB THR 57 -0.702 -5.750 -5.902 420 HG1 THR 57 1HG THR 57 0.108 -8.438 -5.713 421 1HG2 THR 57 1HG2 THR 57 0.094 -5.861 -8.161 422 2HG2 THR 57 2HG2 THR 57 0.868 -7.442 -7.883 423 3HG2 THR 57 3HG2 THR 57 -0.899 -7.281 -7.855 424 H ALA 58 H ALA 58 2.936 -7.408 -7.035 425 HA ALA 58 HA ALA 58 3.683 -9.565 -5.444 426 1HB ALA 58 1HB ALA 58 5.684 -9.695 -6.904 427 2HB ALA 58 2HB ALA 58 4.207 -9.388 -7.837 428 3HB ALA 58 3HB ALA 58 5.348 -8.065 -7.517 429 H ALA 59 H ALA 59 5.295 -6.348 -5.580 430 HA ALA 59 HA ALA 59 7.427 -7.232 -3.724 431 1HB ALA 59 1HB ALA 59 6.891 -4.522 -5.029 432 2HB ALA 59 2HB ALA 59 8.322 -4.986 -4.086 433 3HB ALA 59 3HB ALA 59 8.008 -5.758 -5.648 434 H ILE 60 H ILE 60 4.492 -5.323 -3.994 435 HA ILE 60 HA ILE 60 4.845 -3.899 -1.580 436 HB ILE 60 HB ILE 60 2.822 -4.145 -3.735 437 1HG1 ILE 60 2HG1 ILE 60 3.689 -1.810 -2.068 438 2HG1 ILE 60 3HG1 ILE 60 4.764 -2.475 -3.301 439 1HG2 ILE 60 1HG2 ILE 60 1.202 -4.477 -2.064 440 2HG2 ILE 60 2HG2 ILE 60 1.958 -3.335 -0.950 441 3HG2 ILE 60 3HG2 ILE 60 1.154 -2.756 -2.420 442 1HD1 ILE 60 1HD1 ILE 60 3.069 -2.053 -5.052 443 2HD1 ILE 60 2HD1 ILE 60 2.025 -1.269 -3.844 444 3HD1 ILE 60 3HD1 ILE 60 3.609 -0.577 -4.229 445 H GLN 61 H GLN 61 2.764 -6.801 -2.211 446 HA GLN 61 HA GLN 61 1.807 -7.013 0.457 447 1HB GLN 61 2HB GLN 61 2.240 -8.966 -1.793 448 2HB GLN 61 3HB GLN 61 2.099 -9.594 -0.146 449 1HG GLN 61 2HG GLN 61 -0.050 -9.748 -0.835 450 2HG GLN 61 3HG GLN 61 -0.054 -8.270 0.103 451 1HE2 GLN 61 1HE2 GLN 61 0.593 -6.272 -1.516 452 2HE2 GLN 61 2HE2 GLN 61 -0.385 -6.274 -2.985 453 H GLU 62 H GLU 62 4.747 -8.398 -1.018 454 HA GLU 62 HA GLU 62 5.856 -9.682 1.149 455 1HB GLU 62 2HB GLU 62 6.682 -8.978 -1.418 456 2HB GLU 62 3HB GLU 62 7.781 -7.996 -0.461 457 1HG GLU 62 2HG GLU 62 7.364 -11.010 -0.172 458 2HG GLU 62 3HG GLU 62 8.627 -10.236 -1.141 459 H LYS 63 H LYS 63 6.324 -6.163 0.401 460 HA LYS 63 HA LYS 63 7.775 -5.875 2.881 461 1HB LYS 63 2HB LYS 63 7.126 -4.218 0.529 462 2HB LYS 63 3HB LYS 63 6.931 -3.362 2.043 463 1HG LYS 63 2HG LYS 63 9.214 -3.091 1.323 464 2HG LYS 63 3HG LYS 63 9.220 -4.106 2.762 465 1HD LYS 63 2HD LYS 63 8.932 -5.737 0.317 466 2HD LYS 63 3HD LYS 63 10.320 -4.683 0.153 467 1HE LYS 63 2HE LYS 63 9.865 -6.625 2.480 468 2HE LYS 63 3HE LYS 63 10.816 -6.961 1.038 469 1HZ LYS 63 1HZ LYS 63 11.439 -4.799 2.915 470 2HZ LYS 63 2HZ LYS 63 12.180 -6.271 2.839 471 3HZ LYS 63 3HZ LYS 63 12.302 -5.229 1.577 472 H ILE 64 H ILE 64 4.338 -5.337 1.947 473 HA ILE 64 HA ILE 64 3.531 -3.934 4.182 474 HB ILE 64 HB ILE 64 2.076 -5.975 2.503 475 1HG1 ILE 64 2HG1 ILE 64 2.729 -3.766 1.449 476 2HG1 ILE 64 3HG1 ILE 64 1.030 -4.249 1.391 477 1HG2 ILE 64 1HG2 ILE 64 0.896 -6.033 4.537 478 2HG2 ILE 64 2HG2 ILE 64 1.149 -4.285 4.831 479 3HG2 ILE 64 3HG2 ILE 64 0.026 -4.843 3.579 480 1HD1 ILE 64 1HD1 ILE 64 1.057 -1.951 1.874 481 2HD1 ILE 64 2HD1 ILE 64 0.646 -2.698 3.385 482 3HD1 ILE 64 3HD1 ILE 64 2.324 -2.140 3.118 483 H GLU 65 H GLU 65 3.830 -7.527 3.664 484 HA GLU 65 HA GLU 65 2.989 -8.487 6.192 485 1HB GLU 65 2HB GLU 65 4.912 -9.398 4.080 486 2HB GLU 65 3HB GLU 65 4.801 -10.280 5.609 487 1HG GLU 65 2HG GLU 65 2.266 -9.621 4.085 488 2HG GLU 65 3HG GLU 65 3.291 -10.953 3.545 489 H LYS 66 H LYS 66 6.150 -7.140 5.201 490 HA LYS 66 HA LYS 66 7.344 -7.660 7.775 491 1HB LYS 66 2HB LYS 66 8.421 -7.551 5.480 492 2HB LYS 66 3HB LYS 66 8.398 -5.791 5.664 493 1HG LYS 66 2HG LYS 66 10.079 -5.823 7.221 494 2HG LYS 66 3HG LYS 66 9.508 -7.267 8.031 495 1HD LYS 66 2HD LYS 66 10.746 -7.472 5.266 496 2HD LYS 66 3HD LYS 66 11.805 -7.289 6.664 497 1HE LYS 66 2HE LYS 66 9.671 -9.477 6.465 498 2HE LYS 66 3HE LYS 66 11.326 -9.689 5.880 499 1HZ LYS 66 1HZ LYS 66 12.134 -9.281 8.089 500 2HZ LYS 66 2HZ LYS 66 10.609 -9.058 8.667 501 3HZ LYS 66 3HZ LYS 66 11.066 -10.527 8.095 502 H LEU 67 H LEU 67 5.737 -4.816 6.267 503 HA LEU 67 HA LEU 67 6.240 -2.984 8.391 504 1HB LEU 67 2HB LEU 67 4.034 -3.369 6.337 505 2HB LEU 67 3HB LEU 67 3.820 -2.222 7.619 506 HG LEU 67 HG LEU 67 4.531 -1.164 5.647 507 1HD1 LEU 67 1HD1 LEU 67 6.905 -1.061 7.536 508 2HD1 LEU 67 2HD1 LEU 67 6.261 0.242 6.523 509 3HD1 LEU 67 3HD1 LEU 67 5.323 -0.333 7.916 510 1HD2 LEU 67 1HD2 LEU 67 6.801 -1.337 4.693 511 2HD2 LEU 67 2HD2 LEU 67 7.052 -2.824 5.626 512 3HD2 LEU 67 3HD2 LEU 67 5.749 -2.716 4.403 513 H GLY 68 H GLY 68 4.396 -5.958 8.297 514 1HA GLY 68 2HA GLY 68 3.912 -7.107 10.262 515 2HA GLY 68 3HA GLY 68 3.805 -5.601 11.180 516 H TYR 69 H TYR 69 2.255 -6.042 8.005 517 HA TYR 69 HA TYR 69 -0.422 -6.508 9.253 518 1HB TYR 69 2HB TYR 69 0.214 -4.225 7.330 519 2HB TYR 69 3HB TYR 69 -1.384 -4.663 7.923 520 HD1 TYR 69 HD1 TYR 69 1.926 -3.303 8.913 521 HD2 TYR 69 HD2 TYR 69 -2.198 -3.810 10.018 522 HE1 TYR 69 HE1 TYR 69 2.284 -1.849 10.857 523 HE2 TYR 69 HE2 TYR 69 -1.900 -2.216 11.878 524 HH TYR 69 HH TYR 69 -0.416 -0.808 12.984 525 H HIS 70 H HIS 70 -2.037 -6.744 7.345 526 HA HIS 70 HA HIS 70 -0.695 -8.062 5.025 527 1HB HIS 70 2HB HIS 70 -1.291 -10.039 5.842 528 2HB HIS 70 3HB HIS 70 -2.315 -9.346 7.089 529 HD1 HIS 70 1HD HIS 70 -2.844 -9.609 3.191 530 HD2 HIS 70 2HD HIS 70 -4.702 -10.095 6.940 531 HE1 HIS 70 1HE HIS 70 -5.181 -10.417 2.726 532 H VAL 71 H VAL 71 -1.324 -7.100 3.273 533 HA VAL 71 HA VAL 71 -3.864 -5.549 3.238 534 HB VAL 71 HB VAL 71 -1.711 -4.547 2.400 535 1HG1 VAL 71 1HG1 VAL 71 -0.973 -5.069 0.139 536 2HG1 VAL 71 2HG1 VAL 71 -0.848 -6.513 1.160 537 3HG1 VAL 71 3HG1 VAL 71 -2.187 -6.351 -0.012 538 1HG2 VAL 71 1HG2 VAL 71 -4.108 -4.664 0.610 539 2HG2 VAL 71 2HG2 VAL 71 -3.782 -3.528 1.925 540 3HG2 VAL 71 3HG2 VAL 71 -2.783 -3.481 0.467 541 H VAL 72 H VAL 72 -5.539 -6.031 1.760 542 HA VAL 72 HA VAL 72 -5.502 -8.825 0.579 543 HB VAL 72 HB VAL 72 -7.990 -8.256 0.183 544 1HG1 VAL 72 1HG1 VAL 72 -7.082 -8.870 3.007 545 2HG1 VAL 72 2HG1 VAL 72 -8.666 -9.223 2.291 546 3HG1 VAL 72 3HG1 VAL 72 -7.231 -10.051 1.674 547 1HG2 VAL 72 1HG2 VAL 72 -7.889 -5.892 0.937 548 2HG2 VAL 72 2HG2 VAL 72 -9.055 -6.882 1.850 549 3HG2 VAL 72 3HG2 VAL 72 -7.518 -6.461 2.594 550 H ILE 73 H ILE 73 -6.358 -9.067 -1.590 551 HA ILE 73 HA ILE 73 -6.344 -6.563 -3.202 552 HB ILE 73 HB ILE 73 -5.410 -9.334 -4.054 553 1HG1 ILE 73 2HG1 ILE 73 -3.737 -8.165 -2.617 554 2HG1 ILE 73 3HG1 ILE 73 -3.221 -8.505 -4.253 555 1HG2 ILE 73 1HG2 ILE 73 -4.781 -8.161 -6.178 556 2HG2 ILE 73 2HG2 ILE 73 -6.524 -8.224 -5.899 557 3HG2 ILE 73 3HG2 ILE 73 -5.645 -6.715 -5.602 558 1HD1 ILE 73 1HD1 ILE 73 -3.497 -6.157 -4.904 559 2HD1 ILE 73 2HD1 ILE 73 -4.214 -5.768 -3.324 560 3HD1 ILE 73 3HD1 ILE 73 -2.520 -6.254 -3.435 561 H GLU 74 H GLU 74 -8.431 -6.250 -3.165 562 HA GLU 74 HA GLU 74 -10.548 -8.136 -3.322 563 1HB GLU 74 2HB GLU 74 -11.892 -6.126 -4.162 564 2HB GLU 74 3HB GLU 74 -11.197 -6.049 -2.570 565 1HG GLU 74 2HG GLU 74 -9.269 -4.627 -3.610 566 2HG GLU 74 3HG GLU 74 -10.214 -4.656 -5.099 567 H GLY 75 H GLY 75 -9.382 -9.582 -4.988 568 1HA GLY 75 2HA GLY 75 -11.202 -9.779 -7.076 569 2HA GLY 75 3HA GLY 75 -9.836 -8.910 -7.790 570 H ARG 76 H ARG 76 -7.543 -10.166 -6.797 571 HA ARG 76 HA ARG 76 -7.772 -12.987 -7.466 572 1HB ARG 76 2HB ARG 76 -7.759 -11.335 -9.644 573 2HB ARG 76 3HB ARG 76 -6.038 -11.285 -9.247 574 1HG ARG 76 2HG ARG 76 -6.358 -13.949 -9.134 575 2HG ARG 76 3HG ARG 76 -7.783 -13.589 -10.118 576 1HD ARG 76 2HD ARG 76 -6.099 -13.944 -11.762 577 2HD ARG 76 3HD ARG 76 -6.164 -12.197 -11.613 578 HE ARG 76 HE ARG 76 -4.050 -12.156 -10.686 579 1HH1 ARG 76 2HH2 ARG 76 -5.308 -15.418 -10.459 580 2HH1 ARG 76 1HH2 ARG 76 -3.797 -16.182 -10.070 581 1HH2 ARG 76 2HH1 ARG 76 -2.003 -13.100 -10.115 582 2HH2 ARG 76 1HH1 ARG 76 -1.872 -14.808 -9.849 Start of MODEL 13 1 1H MET 1 H1 MET 1 4.938 -1.256 -25.740 2 2H MET 1 H2 MET 1 5.639 -2.560 -26.483 3 3H MET 1 H3 MET 1 6.040 -2.144 -24.930 4 HA MET 1 HA MET 1 7.790 -1.503 -26.388 5 1HB MET 1 2HB MET 1 5.519 -0.044 -27.783 6 2HB MET 1 3HB MET 1 7.158 0.618 -27.802 7 1HG MET 1 2HG MET 1 8.047 -1.444 -28.762 8 2HG MET 1 3HG MET 1 6.414 -2.134 -28.838 9 1HE MET 1 1HE MET 1 8.572 -1.807 -31.269 10 2HE MET 1 2HE MET 1 7.001 -2.637 -31.428 11 3HE MET 1 3HE MET 1 7.458 -1.359 -32.580 12 H LEU 2 H LEU 2 5.490 1.217 -25.909 13 HA LEU 2 HA LEU 2 7.188 2.458 -23.934 14 1HB LEU 2 2HB LEU 2 5.107 3.302 -25.555 15 2HB LEU 2 3HB LEU 2 4.265 3.091 -24.023 16 HG LEU 2 HG LEU 2 5.950 4.661 -22.967 17 1HD1 LEU 2 1HD1 LEU 2 6.918 4.926 -25.858 18 2HD1 LEU 2 2HD1 LEU 2 7.300 6.079 -24.566 19 3HD1 LEU 2 3HD1 LEU 2 7.896 4.427 -24.464 20 1HD2 LEU 2 1HD2 LEU 2 5.029 6.682 -24.029 21 2HD2 LEU 2 2HD2 LEU 2 4.500 5.726 -25.430 22 3HD2 LEU 2 3HD2 LEU 2 3.768 5.453 -23.833 23 H SER 3 H SER 3 5.899 3.034 -21.728 24 HA SER 3 HA SER 3 4.647 0.680 -20.540 25 1HB SER 3 2HB SER 3 7.288 0.695 -20.225 26 2HB SER 3 3HB SER 3 6.966 2.014 -19.087 27 HG SER 3 HG SER 3 5.997 0.594 -17.758 28 H GLU 4 H GLU 4 3.686 1.446 -18.367 29 HA GLU 4 HA GLU 4 3.569 4.278 -17.870 30 1HB GLU 4 2HB GLU 4 1.057 4.354 -18.163 31 2HB GLU 4 3HB GLU 4 1.992 4.394 -19.659 32 1HG GLU 4 2HG GLU 4 0.879 1.760 -18.625 33 2HG GLU 4 3HG GLU 4 -0.129 2.900 -19.523 34 H GLN 5 H GLN 5 2.464 4.688 -15.946 35 HA GLN 5 HA GLN 5 2.573 2.416 -14.080 36 1HB GLN 5 2HB GLN 5 2.508 4.119 -12.360 37 2HB GLN 5 3HB GLN 5 3.818 4.404 -13.524 38 1HG GLN 5 2HG GLN 5 2.436 6.211 -14.574 39 2HG GLN 5 3HG GLN 5 1.133 5.868 -13.424 40 1HE2 GLN 5 1HE2 GLN 5 3.865 5.360 -11.617 41 2HE2 GLN 5 2HE2 GLN 5 3.967 6.928 -10.887 42 H LYS 6 H LYS 6 0.889 2.584 -12.162 43 HA LYS 6 HA LYS 6 -1.703 3.556 -13.067 44 1HB LYS 6 2HB LYS 6 -1.073 0.740 -13.321 45 2HB LYS 6 3HB LYS 6 -2.099 0.908 -11.905 46 1HG LYS 6 2HG LYS 6 -3.509 2.471 -13.620 47 2HG LYS 6 3HG LYS 6 -2.685 1.437 -14.790 48 1HD LYS 6 2HD LYS 6 -3.555 -0.501 -13.086 49 2HD LYS 6 3HD LYS 6 -4.640 0.778 -12.549 50 1HE LYS 6 2HE LYS 6 -5.895 -0.387 -14.179 51 2HE LYS 6 3HE LYS 6 -5.328 1.057 -15.029 52 1HZ LYS 6 1HZ LYS 6 -4.139 -1.644 -15.167 53 2HZ LYS 6 2HZ LYS 6 -5.010 -0.909 -16.352 54 3HZ LYS 6 3HZ LYS 6 -3.530 -0.323 -15.936 55 H GLU 7 H GLU 7 -3.278 3.492 -11.387 56 HA GLU 7 HA GLU 7 -2.226 3.597 -8.629 57 1HB GLU 7 2HB GLU 7 -4.360 4.522 -8.037 58 2HB GLU 7 3HB GLU 7 -3.599 5.464 -9.312 59 1HG GLU 7 2HG GLU 7 -5.498 5.370 -10.468 60 2HG GLU 7 3HG GLU 7 -5.240 3.643 -10.738 61 H ILE 8 H ILE 8 -2.608 1.959 -7.254 62 HA ILE 8 HA ILE 8 -4.583 -0.144 -7.997 63 HB ILE 8 HB ILE 8 -2.011 -0.677 -7.531 64 1HG1 ILE 8 2HG1 ILE 8 -2.749 -2.803 -6.219 65 2HG1 ILE 8 3HG1 ILE 8 -4.396 -2.217 -6.501 66 1HG2 ILE 8 1HG2 ILE 8 -1.513 -1.147 -5.171 67 2HG2 ILE 8 2HG2 ILE 8 -1.819 0.566 -5.491 68 3HG2 ILE 8 3HG2 ILE 8 -3.041 -0.400 -4.693 69 1HD1 ILE 8 1HD1 ILE 8 -3.868 -2.121 -8.959 70 2HD1 ILE 8 2HD1 ILE 8 -2.219 -2.681 -8.606 71 3HD1 ILE 8 3HD1 ILE 8 -3.599 -3.756 -8.298 72 H ALA 9 H ALA 9 -6.038 -0.663 -6.235 73 HA ALA 9 HA ALA 9 -5.981 0.976 -3.808 74 1HB ALA 9 1HB ALA 9 -8.347 1.616 -4.041 75 2HB ALA 9 2HB ALA 9 -7.371 2.319 -5.348 76 3HB ALA 9 3HB ALA 9 -8.390 0.899 -5.668 77 H MET 10 H MET 10 -6.427 -0.367 -2.074 78 HA MET 10 HA MET 10 -8.258 -2.625 -2.408 79 1HB MET 10 2HB MET 10 -6.579 -4.317 -1.820 80 2HB MET 10 3HB MET 10 -6.239 -3.569 -3.380 81 1HG MET 10 2HG MET 10 -4.941 -2.347 -0.934 82 2HG MET 10 3HG MET 10 -4.382 -3.916 -1.491 83 1HE MET 10 1HE MET 10 -2.428 -1.834 -1.044 84 2HE MET 10 2HE MET 10 -1.860 -0.940 -2.457 85 3HE MET 10 3HE MET 10 -3.325 -0.408 -1.612 86 H GLN 11 H GLN 11 -7.980 -4.084 -0.216 87 HA GLN 11 HA GLN 11 -8.494 -2.021 1.856 88 1HB GLN 11 2HB GLN 11 -9.343 -4.722 2.580 89 2HB GLN 11 3HB GLN 11 -10.088 -3.160 2.797 90 1HG GLN 11 2HG GLN 11 -11.604 -4.219 1.450 91 2HG GLN 11 3HG GLN 11 -10.693 -3.305 0.247 92 1HE2 GLN 11 1HE2 GLN 11 -9.570 -4.552 -1.350 93 2HE2 GLN 11 2HE2 GLN 11 -9.355 -6.273 -1.250 94 H VAL 12 H VAL 12 -7.742 -2.443 4.017 95 HA VAL 12 HA VAL 12 -5.332 -4.196 4.088 96 HB VAL 12 HB VAL 12 -5.480 -1.679 5.740 97 1HG1 VAL 12 1HG1 VAL 12 -3.279 -3.470 4.603 98 2HG1 VAL 12 2HG1 VAL 12 -3.003 -1.939 5.419 99 3HG1 VAL 12 3HG1 VAL 12 -3.748 -3.282 6.314 100 1HG2 VAL 12 1HG2 VAL 12 -4.414 -1.855 2.898 101 2HG2 VAL 12 2HG2 VAL 12 -5.774 -0.835 3.446 102 3HG2 VAL 12 3HG2 VAL 12 -4.141 -0.515 4.039 103 H SER 13 H SER 13 -5.170 -5.565 5.704 104 HA SER 13 HA SER 13 -7.283 -5.684 7.757 105 1HB SER 13 2HB SER 13 -6.571 -7.632 6.307 106 2HB SER 13 3HB SER 13 -5.045 -7.640 7.149 107 HG SER 13 HG SER 13 -6.069 -8.348 8.950 108 H GLY 14 H GLY 14 -6.870 -4.622 9.576 109 1HA GLY 14 2HA GLY 14 -5.189 -4.941 11.523 110 2HA GLY 14 3HA GLY 14 -4.118 -3.974 10.515 111 H MET 15 H MET 15 -4.876 -1.733 9.896 112 HA MET 15 HA MET 15 -5.551 0.274 10.483 113 1HB MET 15 2HB MET 15 -7.468 -1.160 9.378 114 2HB MET 15 3HB MET 15 -8.341 -0.810 10.864 115 1HG MET 15 2HG MET 15 -7.014 1.393 9.188 116 2HG MET 15 3HG MET 15 -8.507 0.642 8.714 117 1HE MET 15 1HE MET 15 -7.433 2.212 12.267 118 2HE MET 15 2HE MET 15 -6.855 3.156 10.886 119 3HE MET 15 3HE MET 15 -8.195 3.769 11.899 120 H THR 16 H THR 16 -4.227 -0.506 12.523 121 HA THR 16 HA THR 16 -5.516 -0.454 15.020 122 HB THR 16 HB THR 16 -2.730 0.543 14.436 123 HG1 THR 16 1HG THR 16 -3.604 -2.147 14.306 124 1HG2 THR 16 1HG2 THR 16 -3.384 0.375 16.803 125 2HG2 THR 16 2HG2 THR 16 -3.839 -1.329 16.561 126 3HG2 THR 16 3HG2 THR 16 -2.141 -0.826 16.394 127 H CYS 17 H CYS 17 -4.953 2.069 12.737 128 HA CYS 17 HA CYS 17 -5.555 4.240 12.678 129 1HB CYS 17 2HB CYS 17 -7.491 3.403 14.096 130 2HB CYS 17 3HB CYS 17 -6.631 4.056 15.518 131 HG CYS 17 HG CYS 17 -7.657 5.588 12.779 132 H ALA 18 H ALA 18 -5.093 6.476 14.158 133 HA ALA 18 HA ALA 18 -3.423 7.847 14.728 134 1HB ALA 18 1HB ALA 18 -2.305 5.527 16.351 135 2HB ALA 18 2HB ALA 18 -1.946 7.251 16.543 136 3HB ALA 18 3HB ALA 18 -3.579 6.647 16.878 137 H ALA 19 H ALA 19 -3.132 7.302 12.311 138 HA ALA 19 HA ALA 19 -1.745 7.377 10.544 139 1HB ALA 19 1HB ALA 19 0.540 7.633 12.540 140 2HB ALA 19 2HB ALA 19 0.522 8.150 10.849 141 3HB ALA 19 3HB ALA 19 -0.519 8.965 12.031 142 H CYS 20 H CYS 20 -2.219 4.696 11.939 143 HA CYS 20 HA CYS 20 0.259 3.172 11.630 144 1HB CYS 20 2HB CYS 20 -2.571 2.576 12.444 145 2HB CYS 20 3HB CYS 20 -1.616 1.220 11.864 146 HG CYS 20 HG CYS 20 0.297 1.317 13.436 147 H ALA 21 H ALA 21 -2.914 3.064 10.053 148 HA ALA 21 HA ALA 21 -2.179 1.525 7.852 149 1HB ALA 21 1HB ALA 21 -4.210 2.412 6.800 150 2HB ALA 21 2HB ALA 21 -4.500 1.996 8.505 151 3HB ALA 21 3HB ALA 21 -4.266 3.700 8.037 152 H ALA 22 H ALA 22 -1.643 4.932 8.496 153 HA ALA 22 HA ALA 22 -0.898 5.630 5.777 154 1HB ALA 22 1HB ALA 22 -0.278 6.927 8.477 155 2HB ALA 22 2HB ALA 22 0.072 7.643 6.885 156 3HB ALA 22 3HB ALA 22 -1.609 7.342 7.391 157 H ARG 23 H ARG 23 0.985 4.613 8.739 158 HA ARG 23 HA ARG 23 3.534 4.738 7.518 159 1HB ARG 23 2HB ARG 23 2.584 2.729 9.591 160 2HB ARG 23 3HB ARG 23 4.238 2.931 9.015 161 1HG ARG 23 2HG ARG 23 3.964 5.449 9.733 162 2HG ARG 23 3HG ARG 23 2.602 4.834 10.675 163 1HD ARG 23 2HD ARG 23 4.387 4.723 12.182 164 2HD ARG 23 3HD ARG 23 4.191 3.059 11.595 165 HE ARG 23 HE ARG 23 6.096 4.739 10.100 166 1HH1 ARG 23 2HH2 ARG 23 5.778 2.436 12.759 167 2HH1 ARG 23 1HH2 ARG 23 7.477 2.126 12.907 168 1HH2 ARG 23 2HH1 ARG 23 8.370 4.426 10.338 169 2HH2 ARG 23 1HH1 ARG 23 8.980 3.299 11.501 170 H ILE 24 H ILE 24 1.118 2.112 7.433 171 HA ILE 24 HA ILE 24 2.490 0.080 6.131 172 HB ILE 24 HB ILE 24 -0.339 1.040 5.555 173 1HG1 ILE 24 2HG1 ILE 24 0.696 -1.064 7.460 174 2HG1 ILE 24 3HG1 ILE 24 0.056 0.497 7.950 175 1HG2 ILE 24 1HG2 ILE 24 0.532 -0.557 3.811 176 2HG2 ILE 24 2HG2 ILE 24 0.658 -1.757 5.132 177 3HG2 ILE 24 3HG2 ILE 24 -0.903 -1.067 4.669 178 1HD1 ILE 24 1HD1 ILE 24 -1.823 -0.808 8.271 179 2HD1 ILE 24 2HD1 ILE 24 -2.108 -0.265 6.617 180 3HD1 ILE 24 3HD1 ILE 24 -1.426 -1.881 6.920 181 H GLU 25 H GLU 25 0.600 2.631 4.446 182 HA GLU 25 HA GLU 25 1.752 1.885 1.950 183 1HB GLU 25 2HB GLU 25 -0.499 3.381 2.771 184 2HB GLU 25 3HB GLU 25 0.550 4.560 2.003 185 1HG GLU 25 2HG GLU 25 -0.806 3.609 0.228 186 2HG GLU 25 3HG GLU 25 0.834 3.007 0.020 187 H LYS 26 H LYS 26 2.516 4.506 4.260 188 HA LYS 26 HA LYS 26 4.205 5.991 2.556 189 1HB LYS 26 2HB LYS 26 3.884 5.628 5.521 190 2HB LYS 26 3HB LYS 26 5.303 6.457 4.950 191 1HG LYS 26 2HG LYS 26 2.548 7.284 3.951 192 2HG LYS 26 3HG LYS 26 3.167 7.841 5.515 193 1HD LYS 26 2HD LYS 26 5.231 8.724 4.410 194 2HD LYS 26 3HD LYS 26 4.641 8.164 2.854 195 1HE LYS 26 2HE LYS 26 4.276 10.531 2.983 196 2HE LYS 26 3HE LYS 26 2.705 9.719 2.987 197 1HZ LYS 26 1HZ LYS 26 2.860 11.505 4.597 198 2HZ LYS 26 2HZ LYS 26 2.599 10.074 5.355 199 3HZ LYS 26 3HZ LYS 26 4.097 10.760 5.377 200 H GLY 27 H GLY 27 4.796 3.026 4.449 201 1HA GLY 27 2HA GLY 27 7.574 2.720 3.907 202 2HA GLY 27 3HA GLY 27 6.407 1.404 4.088 203 H LEU 28 H LEU 28 4.647 1.800 1.897 204 HA LEU 28 HA LEU 28 6.271 0.736 -0.225 205 1HB LEU 28 2HB LEU 28 3.451 1.816 -0.323 206 2HB LEU 28 3HB LEU 28 4.248 0.840 -1.558 207 HG LEU 28 HG LEU 28 3.722 -0.158 1.261 208 1HD1 LEU 28 1HD1 LEU 28 2.281 -0.401 -1.382 209 2HD1 LEU 28 2HD1 LEU 28 2.111 -1.640 -0.126 210 3HD1 LEU 28 3HD1 LEU 28 1.684 0.046 0.216 211 1HD2 LEU 28 1HD2 LEU 28 5.238 -1.396 -1.053 212 2HD2 LEU 28 2HD2 LEU 28 5.603 -1.368 0.667 213 3HD2 LEU 28 3HD2 LEU 28 4.314 -2.409 0.069 214 H LYS 29 H LYS 29 5.020 4.016 0.454 215 HA LYS 29 HA LYS 29 5.833 5.158 -2.009 216 1HB LYS 29 2HB LYS 29 4.391 6.367 -0.701 217 2HB LYS 29 3HB LYS 29 5.444 6.387 0.699 218 1HG LYS 29 2HG LYS 29 7.041 7.841 -0.345 219 2HG LYS 29 3HG LYS 29 6.237 7.725 -1.919 220 1HD LYS 29 2HD LYS 29 4.768 8.726 0.537 221 2HD LYS 29 3HD LYS 29 5.809 9.828 -0.367 222 1HE LYS 29 2HE LYS 29 3.715 8.168 -1.812 223 2HE LYS 29 3HE LYS 29 3.227 9.601 -0.916 224 1HZ LYS 29 1HZ LYS 29 5.021 10.808 -2.281 225 2HZ LYS 29 2HZ LYS 29 4.906 9.526 -3.331 226 3HZ LYS 29 3HZ LYS 29 3.615 10.437 -2.991 227 H ARG 30 H ARG 30 7.861 3.751 0.427 228 HA ARG 30 HA ARG 30 10.271 5.116 -0.713 229 1HB ARG 30 2HB ARG 30 9.597 3.676 1.854 230 2HB ARG 30 3HB ARG 30 11.256 3.650 1.286 231 1HG ARG 30 2HG ARG 30 11.586 5.898 1.593 232 2HG ARG 30 3HG ARG 30 9.929 6.318 1.138 233 1HD ARG 30 2HD ARG 30 9.062 5.446 3.265 234 2HD ARG 30 3HD ARG 30 10.699 5.171 3.853 235 HE ARG 30 HE ARG 30 9.211 7.668 3.585 236 1HH1 ARG 30 2HH2 ARG 30 12.468 6.350 3.682 237 2HH1 ARG 30 1HH2 ARG 30 13.258 7.844 4.080 238 1HH2 ARG 30 2HH1 ARG 30 10.214 9.710 4.031 239 2HH2 ARG 30 1HH1 ARG 30 11.925 9.809 4.275 240 H MET 31 H MET 31 8.382 2.459 -1.560 241 HA MET 31 HA MET 31 10.618 0.675 -2.136 242 1HB MET 31 2HB MET 31 7.669 0.634 -2.847 243 2HB MET 31 3HB MET 31 8.810 -0.544 -3.473 244 1HG MET 31 2HG MET 31 8.699 -0.025 -0.494 245 2HG MET 31 3HG MET 31 7.503 -1.070 -1.257 246 1HE MET 31 1HE MET 31 9.364 -4.174 -2.367 247 2HE MET 31 2HE MET 31 7.809 -3.341 -2.161 248 3HE MET 31 3HE MET 31 8.944 -2.812 -3.427 249 HA PRO 32 HA PRO 32 11.646 2.785 -5.965 250 1HB PRO 32 2HB PRO 32 12.945 0.767 -7.320 251 2HB PRO 32 3HB PRO 32 13.663 1.646 -5.940 252 1HG PRO 32 2HG PRO 32 12.250 -1.030 -5.908 253 2HG PRO 32 3HG PRO 32 13.812 -0.610 -5.152 254 1HD PRO 32 2HD PRO 32 11.498 -0.652 -3.739 255 2HD PRO 32 3HD PRO 32 12.731 0.605 -3.410 256 H GLY 33 H GLY 33 9.837 3.214 -7.265 257 1HA GLY 33 2HA GLY 33 9.079 2.414 -9.534 258 2HA GLY 33 3HA GLY 33 8.490 0.978 -8.706 259 H VAL 34 H VAL 34 8.028 2.934 -6.267 260 HA VAL 34 HA VAL 34 5.267 3.559 -6.887 261 HB VAL 34 HB VAL 34 6.325 2.751 -4.699 262 1HG1 VAL 34 1HG1 VAL 34 6.865 5.679 -4.136 263 2HG1 VAL 34 2HG1 VAL 34 7.515 4.212 -3.361 264 3HG1 VAL 34 3HG1 VAL 34 8.110 4.700 -4.924 265 1HG2 VAL 34 1HG2 VAL 34 4.522 5.190 -4.446 266 2HG2 VAL 34 2HG2 VAL 34 3.983 3.582 -4.965 267 3HG2 VAL 34 3HG2 VAL 34 4.656 3.797 -3.354 268 H THR 35 H THR 35 4.310 5.615 -6.800 269 HA THR 35 HA THR 35 6.133 7.992 -6.966 270 HB THR 35 HB THR 35 3.532 8.603 -8.062 271 HG1 THR 35 1HG THR 35 4.768 6.265 -9.056 272 1HG2 THR 35 1HG2 THR 35 4.812 9.153 -10.069 273 2HG2 THR 35 2HG2 THR 35 5.627 9.771 -8.621 274 3HG2 THR 35 3HG2 THR 35 6.239 8.306 -9.429 275 H ASP 36 H ASP 36 2.743 7.003 -6.203 276 HA ASP 36 HA ASP 36 2.863 8.706 -3.801 277 1HB ASP 36 2HB ASP 36 1.163 9.219 -6.216 278 2HB ASP 36 3HB ASP 36 0.458 9.508 -4.619 279 H ALA 37 H ALA 37 1.307 8.459 -2.216 280 HA ALA 37 HA ALA 37 -0.205 5.914 -2.297 281 1HB ALA 37 1HB ALA 37 1.953 5.369 -1.239 282 2HB ALA 37 2HB ALA 37 1.798 6.779 -0.163 283 3HB ALA 37 3HB ALA 37 0.653 5.435 -0.035 284 H ASN 38 H ASN 38 -2.173 6.110 -1.175 285 HA ASN 38 HA ASN 38 -2.581 8.441 0.568 286 1HB ASN 38 2HB ASN 38 -3.673 8.248 -2.206 287 2HB ASN 38 3HB ASN 38 -4.881 8.579 -0.964 288 1HD2 ASN 38 1HD2 ASN 38 -3.130 10.223 -3.149 289 2HD2 ASN 38 2HD2 ASN 38 -2.875 11.702 -2.242 290 H VAL 39 H VAL 39 -3.819 7.931 2.214 291 HA VAL 39 HA VAL 39 -5.048 5.244 2.276 292 HB VAL 39 HB VAL 39 -3.339 5.911 3.944 293 1HG1 VAL 39 1HG1 VAL 39 -5.485 7.768 5.064 294 2HG1 VAL 39 2HG1 VAL 39 -3.913 7.389 5.785 295 3HG1 VAL 39 3HG1 VAL 39 -3.985 8.297 4.270 296 1HG2 VAL 39 1HG2 VAL 39 -4.853 4.088 4.394 297 2HG2 VAL 39 2HG2 VAL 39 -4.617 5.026 5.882 298 3HG2 VAL 39 3HG2 VAL 39 -6.110 5.214 4.934 299 H ASN 40 H ASN 40 -7.152 4.825 2.461 300 HA ASN 40 HA ASN 40 -9.044 7.083 2.720 301 1HB ASN 40 2HB ASN 40 -8.748 6.186 0.359 302 2HB ASN 40 3HB ASN 40 -9.424 4.652 0.914 303 1HD2 ASN 40 1HD2 ASN 40 -11.074 5.300 -0.846 304 2HD2 ASN 40 2HD2 ASN 40 -12.438 6.243 -0.270 305 H LEU 41 H LEU 41 -8.588 6.243 5.011 306 HA LEU 41 HA LEU 41 -9.682 3.747 5.847 307 1HB LEU 41 2HB LEU 41 -9.416 6.314 7.466 308 2HB LEU 41 3HB LEU 41 -9.723 4.689 8.093 309 HG LEU 41 HG LEU 41 -7.203 5.736 6.775 310 1HD1 LEU 41 1HD1 LEU 41 -6.209 4.786 8.947 311 2HD1 LEU 41 2HD1 LEU 41 -7.311 6.173 9.159 312 3HD1 LEU 41 3HD1 LEU 41 -7.871 4.519 9.466 313 1HD2 LEU 41 1HD2 LEU 41 -6.285 3.410 7.154 314 2HD2 LEU 41 2HD2 LEU 41 -7.930 2.844 7.455 315 3HD2 LEU 41 3HD2 LEU 41 -7.467 3.467 5.851 316 H ALA 42 H ALA 42 -11.308 6.591 4.810 317 HA ALA 42 HA ALA 42 -13.813 6.330 6.161 318 1HB ALA 42 1HB ALA 42 -13.160 8.269 4.710 319 2HB ALA 42 2HB ALA 42 -13.267 7.200 3.291 320 3HB ALA 42 3HB ALA 42 -14.716 7.547 4.245 321 H THR 43 H THR 43 -12.203 4.437 3.685 322 HA THR 43 HA THR 43 -14.567 2.631 3.452 323 HB THR 43 HB THR 43 -12.481 3.379 1.346 324 HG1 THR 43 1HG THR 43 -15.026 4.406 1.956 325 1HG2 THR 43 1HG2 THR 43 -14.285 2.525 -0.213 326 2HG2 THR 43 2HG2 THR 43 -13.460 1.275 0.723 327 3HG2 THR 43 3HG2 THR 43 -15.085 1.815 1.211 328 H GLU 44 H GLU 44 -12.025 2.739 5.284 329 HA GLU 44 HA GLU 44 -10.205 1.458 5.867 330 1HB GLU 44 2HB GLU 44 -12.351 -0.610 5.275 331 2HB GLU 44 3HB GLU 44 -10.876 -0.959 6.181 332 1HG GLU 44 2HG GLU 44 -11.447 0.563 7.942 333 2HG GLU 44 3HG GLU 44 -12.776 1.276 7.017 334 H THR 45 H THR 45 -9.834 2.343 3.254 335 HA THR 45 HA THR 45 -8.546 0.055 1.876 336 HB THR 45 HB THR 45 -10.475 2.116 0.730 337 HG1 THR 45 1HG THR 45 -11.383 0.217 1.701 338 1HG2 THR 45 1HG2 THR 45 -10.227 1.203 -1.452 339 2HG2 THR 45 2HG2 THR 45 -8.587 1.608 -0.932 340 3HG2 THR 45 3HG2 THR 45 -9.166 -0.078 -0.902 341 H VAL 46 H VAL 46 -6.777 0.671 0.585 342 HA VAL 46 HA VAL 46 -5.894 3.505 0.839 343 HB VAL 46 HB VAL 46 -4.832 2.200 2.603 344 1HG1 VAL 46 1HG1 VAL 46 -4.816 -0.056 1.375 345 2HG1 VAL 46 2HG1 VAL 46 -3.509 0.578 0.370 346 3HG1 VAL 46 3HG1 VAL 46 -3.252 0.380 2.098 347 1HG2 VAL 46 1HG2 VAL 46 -2.885 2.913 0.390 348 2HG2 VAL 46 2HG2 VAL 46 -3.502 4.039 1.600 349 3HG2 VAL 46 3HG2 VAL 46 -2.506 2.697 2.122 350 H ASN 47 H ASN 47 -4.582 4.190 -0.888 351 HA ASN 47 HA ASN 47 -4.483 2.356 -3.190 352 1HB ASN 47 2HB ASN 47 -5.344 3.959 -4.698 353 2HB ASN 47 3HB ASN 47 -6.411 4.101 -3.307 354 1HD2 ASN 47 1HD2 ASN 47 -3.779 5.603 -5.165 355 2HD2 ASN 47 2HD2 ASN 47 -3.953 7.196 -4.451 356 H VAL 48 H VAL 48 -2.779 2.656 -4.614 357 HA VAL 48 HA VAL 48 -0.757 4.621 -3.934 358 HB VAL 48 HB VAL 48 -0.202 2.958 -2.288 359 1HG1 VAL 48 1HG1 VAL 48 0.482 0.694 -2.807 360 2HG1 VAL 48 2HG1 VAL 48 -1.184 0.978 -3.321 361 3HG1 VAL 48 3HG1 VAL 48 0.135 0.950 -4.527 362 1HG2 VAL 48 1HG2 VAL 48 1.711 4.099 -3.274 363 2HG2 VAL 48 2HG2 VAL 48 2.122 2.437 -2.872 364 3HG2 VAL 48 3HG2 VAL 48 1.806 2.878 -4.562 365 H ILE 49 H ILE 49 0.330 5.269 -5.577 366 HA ILE 49 HA ILE 49 -0.259 4.166 -8.234 367 HB ILE 49 HB ILE 49 1.001 6.837 -7.559 368 1HG1 ILE 49 2HG1 ILE 49 -1.937 6.076 -7.809 369 2HG1 ILE 49 3HG1 ILE 49 -1.131 6.838 -6.432 370 1HG2 ILE 49 1HG2 ILE 49 0.369 7.402 -9.844 371 2HG2 ILE 49 2HG2 ILE 49 1.254 5.881 -9.889 372 3HG2 ILE 49 3HG2 ILE 49 -0.516 5.871 -10.024 373 1HD1 ILE 49 1HD1 ILE 49 -2.380 8.526 -7.558 374 2HD1 ILE 49 2HD1 ILE 49 -0.657 8.840 -7.866 375 3HD1 ILE 49 3HD1 ILE 49 -1.678 8.113 -9.130 376 H TYR 50 H TYR 50 1.244 2.966 -9.219 377 HA TYR 50 HA TYR 50 4.075 3.482 -8.805 378 1HB TYR 50 2HB TYR 50 4.556 1.074 -8.258 379 2HB TYR 50 3HB TYR 50 3.851 1.963 -6.954 380 HD1 TYR 50 HD1 TYR 50 2.209 0.773 -5.740 381 HD2 TYR 50 HD2 TYR 50 2.807 -0.241 -9.890 382 HE1 TYR 50 HE1 TYR 50 0.764 -1.212 -5.490 383 HE2 TYR 50 HE2 TYR 50 1.204 -2.068 -9.687 384 HH TYR 50 HH TYR 50 -0.369 -2.897 -6.603 385 H ASP 51 H ASP 51 5.386 1.988 -10.094 386 HA ASP 51 HA ASP 51 4.140 1.723 -12.731 387 1HB ASP 51 2HB ASP 51 6.046 3.197 -12.265 388 2HB ASP 51 3HB ASP 51 7.050 1.811 -11.925 389 HA PRO 52 HA PRO 52 4.332 -2.805 -12.065 390 1HB PRO 52 2HB PRO 52 3.371 -3.642 -14.428 391 2HB PRO 52 3HB PRO 52 2.359 -2.856 -13.184 392 1HG PRO 52 2HG PRO 52 3.642 -1.557 -15.602 393 2HG PRO 52 3HG PRO 52 1.935 -1.439 -15.078 394 1HD PRO 52 2HD PRO 52 3.795 0.440 -14.476 395 2HD PRO 52 3HD PRO 52 2.507 0.022 -13.296 396 H ALA 53 H ALA 53 6.566 -0.970 -13.737 397 HA ALA 53 HA ALA 53 7.859 -3.216 -15.164 398 1HB ALA 53 1HB ALA 53 8.066 -0.896 -15.992 399 2HB ALA 53 2HB ALA 53 8.914 -0.435 -14.500 400 3HB ALA 53 3HB ALA 53 9.642 -1.616 -15.605 401 H GLU 54 H GLU 54 8.443 -1.210 -12.318 402 HA GLU 54 HA GLU 54 10.494 -3.024 -11.171 403 1HB GLU 54 2HB GLU 54 9.298 -0.324 -10.415 404 2HB GLU 54 3HB GLU 54 10.495 -1.146 -9.423 405 1HG GLU 54 2HG GLU 54 11.010 -0.455 -12.358 406 2HG GLU 54 3HG GLU 54 11.349 0.659 -11.027 407 H THR 55 H THR 55 7.264 -1.720 -10.594 408 HA THR 55 HA THR 55 6.973 -3.203 -8.092 409 HB THR 55 HB THR 55 6.305 -0.385 -8.690 410 HG1 THR 55 1HG THR 55 8.111 -0.332 -7.090 411 1HG2 THR 55 1HG2 THR 55 5.959 -0.299 -6.255 412 2HG2 THR 55 2HG2 THR 55 4.741 -1.157 -7.216 413 3HG2 THR 55 3HG2 THR 55 5.930 -2.113 -6.257 414 H GLY 56 H GLY 56 5.338 -4.393 -7.685 415 1HA GLY 56 2HA GLY 56 2.700 -3.784 -8.665 416 2HA GLY 56 3HA GLY 56 3.350 -5.349 -9.207 417 H THR 57 H THR 57 1.270 -5.266 -7.566 418 HA THR 57 HA THR 57 1.362 -5.264 -4.891 419 HB THR 57 HB THR 57 -0.661 -5.551 -5.571 420 HG1 THR 57 1HG THR 57 -0.202 -8.299 -5.158 421 1HG2 THR 57 1HG2 THR 57 -0.468 -6.157 -7.884 422 2HG2 THR 57 2HG2 THR 57 0.144 -7.784 -7.480 423 3HG2 THR 57 3HG2 THR 57 -1.529 -7.312 -7.092 424 H ALA 58 H ALA 58 2.761 -7.886 -6.839 425 HA ALA 58 HA ALA 58 3.608 -9.761 -5.032 426 1HB ALA 58 1HB ALA 58 4.192 -9.791 -7.415 427 2HB ALA 58 2HB ALA 58 5.237 -8.368 -7.209 428 3HB ALA 58 3HB ALA 58 5.669 -9.908 -6.438 429 H ALA 59 H ALA 59 5.204 -6.546 -5.488 430 HA ALA 59 HA ALA 59 7.371 -7.296 -3.600 431 1HB ALA 59 1HB ALA 59 6.869 -4.696 -5.125 432 2HB ALA 59 2HB ALA 59 8.350 -5.179 -4.270 433 3HB ALA 59 3HB ALA 59 7.857 -6.044 -5.730 434 H ILE 60 H ILE 60 4.441 -5.460 -3.929 435 HA ILE 60 HA ILE 60 4.766 -3.773 -1.683 436 HB ILE 60 HB ILE 60 2.787 -4.356 -3.752 437 1HG1 ILE 60 2HG1 ILE 60 2.264 -1.855 -3.296 438 2HG1 ILE 60 3HG1 ILE 60 3.676 -1.947 -2.259 439 1HG2 ILE 60 1HG2 ILE 60 1.619 -3.597 -1.075 440 2HG2 ILE 60 2HG2 ILE 60 0.817 -3.406 -2.655 441 3HG2 ILE 60 3HG2 ILE 60 1.243 -5.003 -2.093 442 1HD1 ILE 60 1HD1 ILE 60 4.974 -2.723 -4.259 443 2HD1 ILE 60 2HD1 ILE 60 3.469 -2.634 -5.228 444 3HD1 ILE 60 3HD1 ILE 60 4.166 -1.155 -4.540 445 H GLN 61 H GLN 61 2.843 -6.815 -2.079 446 HA GLN 61 HA GLN 61 1.924 -7.039 0.565 447 1HB GLN 61 2HB GLN 61 2.388 -8.937 -1.684 448 2HB GLN 61 3HB GLN 61 2.533 -9.644 -0.078 449 1HG GLN 61 2HG GLN 61 0.359 -10.063 -0.382 450 2HG GLN 61 3HG GLN 61 0.238 -8.517 0.437 451 1HE2 GLN 61 1HE2 GLN 61 0.827 -6.780 -1.658 452 2HE2 GLN 61 2HE2 GLN 61 -0.270 -7.021 -3.019 453 H GLU 62 H GLU 62 4.909 -8.355 -0.854 454 HA GLU 62 HA GLU 62 6.002 -9.565 1.356 455 1HB GLU 62 2HB GLU 62 6.808 -8.944 -1.253 456 2HB GLU 62 3HB GLU 62 7.929 -7.947 -0.345 457 1HG GLU 62 2HG GLU 62 7.491 -10.953 0.071 458 2HG GLU 62 3HG GLU 62 8.687 -10.253 -1.031 459 H LYS 63 H LYS 63 6.358 -6.069 0.537 460 HA LYS 63 HA LYS 63 7.771 -5.638 3.045 461 1HB LYS 63 2HB LYS 63 7.109 -4.086 0.644 462 2HB LYS 63 3HB LYS 63 6.736 -3.206 2.110 463 1HG LYS 63 2HG LYS 63 9.036 -2.766 1.451 464 2HG LYS 63 3HG LYS 63 9.041 -3.640 2.976 465 1HD LYS 63 2HD LYS 63 9.073 -5.501 0.690 466 2HD LYS 63 3HD LYS 63 10.379 -4.330 0.543 467 1HE LYS 63 2HE LYS 63 11.323 -4.949 2.684 468 2HE LYS 63 3HE LYS 63 9.924 -5.958 3.089 469 1HZ LYS 63 1HZ LYS 63 11.776 -6.551 0.878 470 2HZ LYS 63 2HZ LYS 63 11.696 -7.333 2.327 471 3HZ LYS 63 3HZ LYS 63 10.457 -7.419 1.311 472 H ILE 64 H ILE 64 4.344 -5.244 1.980 473 HA ILE 64 HA ILE 64 3.516 -3.825 4.145 474 HB ILE 64 HB ILE 64 1.988 -5.831 2.446 475 1HG1 ILE 64 2HG1 ILE 64 2.459 -3.943 1.097 476 2HG1 ILE 64 3HG1 ILE 64 0.828 -3.709 1.677 477 1HG2 ILE 64 1HG2 ILE 64 1.073 -4.070 4.735 478 2HG2 ILE 64 2HG2 ILE 64 -0.035 -4.634 3.486 479 3HG2 ILE 64 3HG2 ILE 64 0.800 -5.813 4.485 480 1HD1 ILE 64 1HD1 ILE 64 3.371 -2.311 2.428 481 2HD1 ILE 64 2HD1 ILE 64 1.772 -1.621 2.029 482 3HD1 ILE 64 3HD1 ILE 64 2.039 -2.361 3.600 483 H GLU 65 H GLU 65 3.818 -7.408 3.794 484 HA GLU 65 HA GLU 65 2.798 -8.291 6.277 485 1HB GLU 65 2HB GLU 65 4.995 -9.154 4.410 486 2HB GLU 65 3HB GLU 65 4.716 -10.019 5.936 487 1HG GLU 65 2HG GLU 65 2.289 -9.528 4.247 488 2HG GLU 65 3HG GLU 65 3.490 -10.648 3.599 489 H LYS 66 H LYS 66 6.012 -6.892 5.493 490 HA LYS 66 HA LYS 66 6.969 -7.404 8.185 491 1HB LYS 66 2HB LYS 66 8.182 -7.395 5.828 492 2HB LYS 66 3HB LYS 66 8.476 -5.698 6.241 493 1HG LYS 66 2HG LYS 66 9.630 -6.406 8.336 494 2HG LYS 66 3HG LYS 66 9.053 -8.058 8.111 495 1HD LYS 66 2HD LYS 66 11.193 -8.349 7.405 496 2HD LYS 66 3HD LYS 66 10.345 -8.099 5.893 497 1HE LYS 66 2HE LYS 66 11.929 -6.541 5.434 498 2HE LYS 66 3HE LYS 66 11.052 -5.484 6.546 499 1HZ LYS 66 1HZ LYS 66 12.516 -6.314 8.308 500 2HZ LYS 66 2HZ LYS 66 13.328 -7.244 7.220 501 3HZ LYS 66 3HZ LYS 66 13.376 -5.608 7.097 502 H LEU 67 H LEU 67 5.604 -4.642 6.396 503 HA LEU 67 HA LEU 67 6.061 -2.663 8.392 504 1HB LEU 67 2HB LEU 67 3.907 -3.166 6.310 505 2HB LEU 67 3HB LEU 67 3.627 -1.971 7.527 506 HG LEU 67 HG LEU 67 4.440 -1.057 5.467 507 1HD1 LEU 67 1HD1 LEU 67 6.003 0.514 6.411 508 2HD1 LEU 67 2HD1 LEU 67 4.880 0.036 7.699 509 3HD1 LEU 67 3HD1 LEU 67 6.523 -0.653 7.641 510 1HD2 LEU 67 1HD2 LEU 67 6.823 -1.170 4.812 511 2HD2 LEU 67 2HD2 LEU 67 7.037 -2.545 5.912 512 3HD2 LEU 67 3HD2 LEU 67 5.897 -2.640 4.539 513 H GLY 68 H GLY 68 4.123 -5.593 8.434 514 1HA GLY 68 2HA GLY 68 3.612 -6.627 10.466 515 2HA GLY 68 3HA GLY 68 3.461 -5.066 11.281 516 H TYR 69 H TYR 69 2.050 -5.825 8.084 517 HA TYR 69 HA TYR 69 -0.694 -6.040 9.238 518 1HB TYR 69 2HB TYR 69 0.116 -3.951 7.179 519 2HB TYR 69 3HB TYR 69 -1.513 -4.260 7.773 520 HD1 TYR 69 HD1 TYR 69 -2.304 -3.156 9.746 521 HD2 TYR 69 HD2 TYR 69 1.850 -2.997 8.717 522 HE1 TYR 69 HE1 TYR 69 -1.929 -1.488 11.551 523 HE2 TYR 69 HE2 TYR 69 2.265 -1.411 10.548 524 HH TYR 69 HH TYR 69 1.369 -0.411 12.400 525 H HIS 70 H HIS 70 -2.271 -6.520 7.325 526 HA HIS 70 HA HIS 70 -0.835 -7.946 5.151 527 1HB HIS 70 2HB HIS 70 -3.367 -9.208 5.691 528 2HB HIS 70 3HB HIS 70 -1.740 -9.861 5.631 529 HD1 HIS 70 1HD HIS 70 -1.843 -11.546 7.550 530 HD2 HIS 70 2HD HIS 70 -3.428 -7.782 8.503 531 HE1 HIS 70 1HE HIS 70 -2.673 -11.680 9.962 532 H VAL 71 H VAL 71 -1.360 -7.112 3.292 533 HA VAL 71 HA VAL 71 -3.854 -5.503 3.028 534 HB VAL 71 HB VAL 71 -1.698 -4.593 2.190 535 1HG1 VAL 71 1HG1 VAL 71 -2.026 -6.648 -0.036 536 2HG1 VAL 71 2HG1 VAL 71 -0.799 -5.372 0.066 537 3HG1 VAL 71 3HG1 VAL 71 -0.766 -6.710 1.230 538 1HG2 VAL 71 1HG2 VAL 71 -2.613 -3.803 0.064 539 2HG2 VAL 71 2HG2 VAL 71 -3.922 -4.997 0.227 540 3HG2 VAL 71 3HG2 VAL 71 -3.759 -3.676 1.413 541 H VAL 72 H VAL 72 -5.492 -6.009 1.470 542 HA VAL 72 HA VAL 72 -5.501 -8.851 0.493 543 HB VAL 72 HB VAL 72 -8.104 -8.438 0.914 544 1HG1 VAL 72 1HG1 VAL 72 -7.805 -9.579 3.113 545 2HG1 VAL 72 2HG1 VAL 72 -6.954 -10.327 1.748 546 3HG1 VAL 72 3HG1 VAL 72 -6.047 -9.351 2.935 547 1HG2 VAL 72 1HG2 VAL 72 -7.805 -6.183 1.890 548 2HG2 VAL 72 2HG2 VAL 72 -8.566 -7.315 3.014 549 3HG2 VAL 72 3HG2 VAL 72 -6.863 -6.882 3.245 550 H ILE 73 H ILE 73 -5.315 -8.758 -1.652 551 HA ILE 73 HA ILE 73 -6.807 -6.658 -3.189 552 HB ILE 73 HB ILE 73 -4.259 -8.159 -3.853 553 1HG1 ILE 73 2HG1 ILE 73 -4.773 -5.215 -3.308 554 2HG1 ILE 73 3HG1 ILE 73 -4.105 -6.312 -2.089 555 1HG2 ILE 73 1HG2 ILE 73 -5.969 -7.356 -5.808 556 2HG2 ILE 73 2HG2 ILE 73 -5.254 -5.788 -5.454 557 3HG2 ILE 73 3HG2 ILE 73 -4.224 -7.146 -5.944 558 1HD1 ILE 73 1HD1 ILE 73 -2.797 -5.617 -4.727 559 2HD1 ILE 73 2HD1 ILE 73 -2.334 -5.029 -3.112 560 3HD1 ILE 73 3HD1 ILE 73 -2.225 -6.764 -3.475 561 H GLU 74 H GLU 74 -8.691 -7.962 -2.958 562 HA GLU 74 HA GLU 74 -8.917 -10.094 -5.014 563 1HB GLU 74 2HB GLU 74 -10.193 -9.952 -2.235 564 2HB GLU 74 3HB GLU 74 -10.715 -11.061 -3.507 565 1HG GLU 74 2HG GLU 74 -7.871 -11.032 -2.370 566 2HG GLU 74 3HG GLU 74 -9.170 -12.068 -1.773 567 H GLY 75 H GLY 75 -10.989 -9.821 -6.177 568 1HA GLY 75 2HA GLY 75 -13.027 -8.063 -5.369 569 2HA GLY 75 3HA GLY 75 -11.891 -7.073 -6.301 570 H ARG 76 H ARG 76 -11.083 -8.944 -8.201 571 HA ARG 76 HA ARG 76 -13.520 -9.687 -9.693 572 1HB ARG 76 2HB ARG 76 -12.400 -9.558 -11.723 573 2HB ARG 76 3HB ARG 76 -12.204 -7.969 -10.991 574 1HG ARG 76 2HG ARG 76 -10.048 -10.155 -10.937 575 2HG ARG 76 3HG ARG 76 -10.241 -9.004 -12.253 576 1HD ARG 76 2HD ARG 76 -9.922 -7.123 -10.666 577 2HD ARG 76 3HD ARG 76 -9.575 -8.307 -9.375 578 HE ARG 76 HE ARG 76 -7.910 -9.017 -11.467 579 1HH1 ARG 76 2HH2 ARG 76 -8.327 -6.246 -9.349 580 2HH1 ARG 76 1HH2 ARG 76 -6.695 -5.668 -9.478 581 1HH2 ARG 76 2HH1 ARG 76 -5.726 -8.296 -11.696 582 2HH2 ARG 76 1HH1 ARG 76 -5.168 -6.891 -10.848 Start of MODEL 14 1 1H MET 1 H1 MET 1 8.753 0.198 -26.835 2 2H MET 1 H2 MET 1 9.672 -1.059 -26.284 3 3H MET 1 H3 MET 1 8.331 -0.575 -25.448 4 HA MET 1 HA MET 1 10.321 0.221 -24.358 5 1HB MET 1 2HB MET 1 10.740 1.524 -27.078 6 2HB MET 1 3HB MET 1 11.537 2.084 -25.603 7 1HG MET 1 2HG MET 1 12.650 -0.041 -25.296 8 2HG MET 1 3HG MET 1 11.840 -0.728 -26.717 9 1HE MET 1 1HE MET 1 15.036 -0.696 -26.150 10 2HE MET 1 2HE MET 1 14.259 -1.508 -27.535 11 3HE MET 1 3HE MET 1 15.604 -0.374 -27.803 12 H LEU 2 H LEU 2 8.287 0.796 -23.222 13 HA LEU 2 HA LEU 2 7.948 3.608 -23.077 14 1HB LEU 2 2HB LEU 2 6.491 3.111 -25.112 15 2HB LEU 2 3HB LEU 2 5.580 1.976 -24.117 16 HG LEU 2 HG LEU 2 4.941 3.904 -22.610 17 1HD1 LEU 2 1HD1 LEU 2 6.313 5.540 -24.800 18 2HD1 LEU 2 2HD1 LEU 2 5.221 6.207 -23.570 19 3HD1 LEU 2 3HD1 LEU 2 6.758 5.496 -23.079 20 1HD2 LEU 2 1HD2 LEU 2 3.315 4.854 -24.204 21 2HD2 LEU 2 2HD2 LEU 2 4.237 4.176 -25.563 22 3HD2 LEU 2 3HD2 LEU 2 3.448 3.097 -24.391 23 H SER 3 H SER 3 7.741 3.800 -20.817 24 HA SER 3 HA SER 3 6.572 1.596 -19.247 25 1HB SER 3 2HB SER 3 7.186 3.388 -17.421 26 2HB SER 3 3HB SER 3 8.469 2.445 -18.190 27 HG SER 3 HG SER 3 8.833 4.771 -18.143 28 H GLU 4 H GLU 4 4.644 1.954 -18.011 29 HA GLU 4 HA GLU 4 3.318 4.500 -18.097 30 1HB GLU 4 2HB GLU 4 2.303 3.410 -20.061 31 2HB GLU 4 3HB GLU 4 1.984 1.929 -19.127 32 1HG GLU 4 2HG GLU 4 0.418 3.107 -17.682 33 2HG GLU 4 3HG GLU 4 0.946 4.659 -18.352 34 H GLN 5 H GLN 5 2.185 4.669 -16.147 35 HA GLN 5 HA GLN 5 2.629 2.459 -14.189 36 1HB GLN 5 2HB GLN 5 2.826 4.093 -12.512 37 2HB GLN 5 3HB GLN 5 4.046 4.420 -13.744 38 1HG GLN 5 2HG GLN 5 2.587 6.244 -14.664 39 2HG GLN 5 3HG GLN 5 1.404 5.934 -13.383 40 1HE2 GLN 5 1HE2 GLN 5 3.334 5.454 -11.222 41 2HE2 GLN 5 2HE2 GLN 5 3.991 6.997 -10.835 42 H LYS 6 H LYS 6 1.009 2.630 -12.281 43 HA LYS 6 HA LYS 6 -1.536 3.828 -13.067 44 1HB LYS 6 2HB LYS 6 -1.058 0.867 -13.240 45 2HB LYS 6 3HB LYS 6 -2.474 1.339 -12.331 46 1HG LYS 6 2HG LYS 6 -3.002 2.894 -14.436 47 2HG LYS 6 3HG LYS 6 -1.862 1.816 -15.225 48 1HD LYS 6 2HD LYS 6 -3.868 0.803 -15.661 49 2HD LYS 6 3HD LYS 6 -3.357 -0.133 -14.265 50 1HE LYS 6 2HE LYS 6 -5.284 2.278 -14.184 51 2HE LYS 6 3HE LYS 6 -5.819 0.615 -14.392 52 1HZ LYS 6 1HZ LYS 6 -5.980 1.471 -12.077 53 2HZ LYS 6 2HZ LYS 6 -5.121 0.079 -12.206 54 3HZ LYS 6 3HZ LYS 6 -4.409 1.505 -11.925 55 H GLU 7 H GLU 7 -3.094 3.758 -11.545 56 HA GLU 7 HA GLU 7 -2.316 3.689 -8.719 57 1HB GLU 7 2HB GLU 7 -4.662 4.418 -8.393 58 2HB GLU 7 3HB GLU 7 -3.713 5.477 -9.429 59 1HG GLU 7 2HG GLU 7 -5.702 5.428 -10.563 60 2HG GLU 7 3HG GLU 7 -4.875 4.171 -11.449 61 H ILE 8 H ILE 8 -3.031 2.138 -7.289 62 HA ILE 8 HA ILE 8 -4.939 0.098 -8.224 63 HB ILE 8 HB ILE 8 -2.252 -0.543 -7.935 64 1HG1 ILE 8 2HG1 ILE 8 -3.106 -2.931 -7.419 65 2HG1 ILE 8 3HG1 ILE 8 -4.730 -2.237 -7.530 66 1HG2 ILE 8 1HG2 ILE 8 -2.255 0.009 -5.532 67 2HG2 ILE 8 2HG2 ILE 8 -3.535 -1.205 -5.289 68 3HG2 ILE 8 3HG2 ILE 8 -1.938 -1.714 -5.809 69 1HD1 ILE 8 1HD1 ILE 8 -3.970 -3.179 -9.693 70 2HD1 ILE 8 2HD1 ILE 8 -4.139 -1.414 -9.843 71 3HD1 ILE 8 3HD1 ILE 8 -2.529 -2.143 -9.655 72 H ALA 9 H ALA 9 -6.148 -0.741 -6.306 73 HA ALA 9 HA ALA 9 -5.821 0.711 -3.806 74 1HB ALA 9 1HB ALA 9 -8.459 0.727 -5.341 75 2HB ALA 9 2HB ALA 9 -8.210 1.338 -3.690 76 3HB ALA 9 3HB ALA 9 -7.426 2.147 -5.062 77 H MET 10 H MET 10 -6.533 -0.490 -2.025 78 HA MET 10 HA MET 10 -8.116 -2.906 -2.417 79 1HB MET 10 2HB MET 10 -6.333 -4.404 -1.485 80 2HB MET 10 3HB MET 10 -6.010 -3.843 -3.129 81 1HG MET 10 2HG MET 10 -4.901 -2.179 -0.862 82 2HG MET 10 3HG MET 10 -4.198 -3.761 -1.177 83 1HE MET 10 1HE MET 10 -3.034 -0.413 -1.627 84 2HE MET 10 2HE MET 10 -2.214 -1.880 -1.034 85 3HE MET 10 3HE MET 10 -1.658 -1.080 -2.518 86 H GLN 11 H GLN 11 -8.076 -4.177 -0.169 87 HA GLN 11 HA GLN 11 -8.547 -2.087 1.879 88 1HB GLN 11 2HB GLN 11 -9.436 -4.747 2.664 89 2HB GLN 11 3HB GLN 11 -10.163 -3.174 2.831 90 1HG GLN 11 2HG GLN 11 -11.688 -4.307 1.530 91 2HG GLN 11 3HG GLN 11 -10.814 -3.362 0.318 92 1HE2 GLN 11 1HE2 GLN 11 -9.667 -4.567 -1.292 93 2HE2 GLN 11 2HE2 GLN 11 -9.238 -6.243 -1.114 94 H VAL 12 H VAL 12 -7.737 -2.503 4.024 95 HA VAL 12 HA VAL 12 -5.349 -4.292 4.060 96 HB VAL 12 HB VAL 12 -5.436 -1.875 5.838 97 1HG1 VAL 12 1HG1 VAL 12 -2.982 -2.021 5.495 98 2HG1 VAL 12 2HG1 VAL 12 -3.635 -3.522 6.159 99 3HG1 VAL 12 3HG1 VAL 12 -3.215 -3.414 4.430 100 1HG2 VAL 12 1HG2 VAL 12 -4.562 -1.881 2.924 101 2HG2 VAL 12 2HG2 VAL 12 -5.837 -0.850 3.631 102 3HG2 VAL 12 3HG2 VAL 12 -4.153 -0.602 4.101 103 H SER 13 H SER 13 -4.880 -5.210 6.163 104 HA SER 13 HA SER 13 -7.187 -5.258 8.040 105 1HB SER 13 2HB SER 13 -6.863 -7.266 6.482 106 2HB SER 13 3HB SER 13 -5.385 -7.609 7.310 107 HG SER 13 HG SER 13 -6.539 -7.990 9.190 108 H GLY 14 H GLY 14 -6.607 -4.810 10.113 109 1HA GLY 14 2HA GLY 14 -5.164 -5.141 11.975 110 2HA GLY 14 3HA GLY 14 -3.741 -4.974 10.959 111 H MET 15 H MET 15 -5.084 -2.522 9.607 112 HA MET 15 HA MET 15 -3.896 -0.466 10.952 113 1HB MET 15 2HB MET 15 -5.318 1.026 9.692 114 2HB MET 15 3HB MET 15 -4.738 -0.290 8.658 115 1HG MET 15 2HG MET 15 -7.532 -0.126 9.893 116 2HG MET 15 3HG MET 15 -7.097 0.416 8.288 117 1HE MET 15 1HE MET 15 -9.333 -2.560 7.452 118 2HE MET 15 2HE MET 15 -9.511 -1.329 8.724 119 3HE MET 15 3HE MET 15 -8.916 -0.861 7.108 120 H THR 16 H THR 16 -4.376 1.000 12.544 121 HA THR 16 HA THR 16 -7.084 0.991 13.808 122 HB THR 16 HB THR 16 -5.809 1.289 15.991 123 HG1 THR 16 1HG THR 16 -3.754 1.768 15.050 124 1HG2 THR 16 1HG2 THR 16 -5.315 -1.363 14.584 125 2HG2 THR 16 2HG2 THR 16 -5.417 -1.072 16.326 126 3HG2 THR 16 3HG2 THR 16 -6.859 -0.877 15.310 127 H CYS 17 H CYS 17 -6.213 2.739 11.760 128 HA CYS 17 HA CYS 17 -5.917 4.940 11.264 129 1HB CYS 17 2HB CYS 17 -8.211 4.770 12.316 130 2HB CYS 17 3HB CYS 17 -7.516 5.497 13.786 131 HG CYS 17 HG CYS 17 -7.502 6.634 10.664 132 H ALA 18 H ALA 18 -5.747 7.094 13.615 133 HA ALA 18 HA ALA 18 -3.935 8.353 14.199 134 1HB ALA 18 1HB ALA 18 -2.814 7.372 16.149 135 2HB ALA 18 2HB ALA 18 -4.557 7.041 16.169 136 3HB ALA 18 3HB ALA 18 -3.417 5.759 15.700 137 H ALA 19 H ALA 19 -3.275 7.855 11.775 138 HA ALA 19 HA ALA 19 -1.616 7.785 10.269 139 1HB ALA 19 1HB ALA 19 0.613 8.436 10.958 140 2HB ALA 19 2HB ALA 19 -0.575 9.341 11.913 141 3HB ALA 19 3HB ALA 19 0.290 7.967 12.634 142 H CYS 20 H CYS 20 -2.368 5.082 11.752 143 HA CYS 20 HA CYS 20 0.106 3.541 11.709 144 1HB CYS 20 2HB CYS 20 -2.813 2.667 11.947 145 2HB CYS 20 3HB CYS 20 -1.416 1.586 12.030 146 HG CYS 20 HG CYS 20 -1.951 4.241 13.906 147 H ALA 21 H ALA 21 -2.926 3.406 9.844 148 HA ALA 21 HA ALA 21 -2.015 1.773 7.764 149 1HB ALA 21 1HB ALA 21 -4.359 2.494 8.407 150 2HB ALA 21 2HB ALA 21 -4.090 3.958 7.448 151 3HB ALA 21 3HB ALA 21 -4.022 2.332 6.688 152 H ALA 22 H ALA 22 -1.811 5.277 8.188 153 HA ALA 22 HA ALA 22 -0.702 5.909 5.633 154 1HB ALA 22 1HB ALA 22 0.105 7.964 6.785 155 2HB ALA 22 2HB ALA 22 -1.593 7.618 7.185 156 3HB ALA 22 3HB ALA 22 -0.314 7.244 8.357 157 H ARG 23 H ARG 23 0.925 4.999 8.781 158 HA ARG 23 HA ARG 23 3.584 5.063 7.800 159 1HB ARG 23 2HB ARG 23 2.382 3.113 9.808 160 2HB ARG 23 3HB ARG 23 4.064 3.236 9.387 161 1HG ARG 23 2HG ARG 23 3.040 5.874 10.149 162 2HG ARG 23 3HG ARG 23 2.633 4.659 11.365 163 1HD ARG 23 2HD ARG 23 5.137 3.890 11.134 164 2HD ARG 23 3HD ARG 23 5.418 5.473 10.425 165 HE ARG 23 HE ARG 23 4.980 4.688 13.178 166 1HH1 ARG 23 2HH2 ARG 23 4.403 7.379 11.012 167 2HH1 ARG 23 1HH2 ARG 23 4.477 8.617 12.236 168 1HH2 ARG 23 2HH1 ARG 23 5.065 6.260 14.853 169 2HH2 ARG 23 1HH1 ARG 23 4.847 7.940 14.498 170 H ILE 24 H ILE 24 1.143 2.414 7.685 171 HA ILE 24 HA ILE 24 2.722 0.418 6.549 172 HB ILE 24 HB ILE 24 -0.176 0.980 5.749 173 1HG1 ILE 24 2HG1 ILE 24 0.902 -0.779 7.964 174 2HG1 ILE 24 3HG1 ILE 24 0.077 0.749 8.213 175 1HG2 ILE 24 1HG2 ILE 24 1.465 -1.564 5.618 176 2HG2 ILE 24 2HG2 ILE 24 -0.251 -1.397 5.182 177 3HG2 ILE 24 3HG2 ILE 24 0.960 -0.558 4.236 178 1HD1 ILE 24 1HD1 ILE 24 -1.136 -1.817 7.194 179 2HD1 ILE 24 2HD1 ILE 24 -1.651 -0.777 8.533 180 3HD1 ILE 24 3HD1 ILE 24 -1.900 -0.257 6.860 181 H GLU 25 H GLU 25 0.658 2.725 4.712 182 HA GLU 25 HA GLU 25 1.752 1.782 2.281 183 1HB GLU 25 2HB GLU 25 -0.479 3.267 2.963 184 2HB GLU 25 3HB GLU 25 0.547 4.497 2.247 185 1HG GLU 25 2HG GLU 25 -0.762 3.550 0.435 186 2HG GLU 25 3HG GLU 25 0.891 2.960 0.232 187 H LYS 26 H LYS 26 2.608 4.583 4.343 188 HA LYS 26 HA LYS 26 4.439 5.869 2.611 189 1HB LYS 26 2HB LYS 26 4.159 5.537 5.604 190 2HB LYS 26 3HB LYS 26 5.571 6.313 4.955 191 1HG LYS 26 2HG LYS 26 2.791 7.239 4.109 192 2HG LYS 26 3HG LYS 26 3.533 7.768 5.624 193 1HD LYS 26 2HD LYS 26 5.602 8.495 4.296 194 2HD LYS 26 3HD LYS 26 4.735 8.084 2.823 195 1HE LYS 26 2HE LYS 26 4.578 10.468 3.149 196 2HE LYS 26 3HE LYS 26 2.968 9.789 3.438 197 1HZ LYS 26 1HZ LYS 26 4.922 10.544 5.524 198 2HZ LYS 26 2HZ LYS 26 3.607 11.423 5.087 199 3HZ LYS 26 3HZ LYS 26 3.408 9.958 5.799 200 H GLY 27 H GLY 27 4.758 2.972 4.671 201 1HA GLY 27 2HA GLY 27 7.471 2.317 4.254 202 2HA GLY 27 3HA GLY 27 6.125 1.169 4.400 203 H LEU 28 H LEU 28 4.556 1.598 2.167 204 HA LEU 28 HA LEU 28 6.167 0.352 0.123 205 1HB LEU 28 2HB LEU 28 3.420 1.610 -0.040 206 2HB LEU 28 3HB LEU 28 4.181 0.649 -1.309 207 HG LEU 28 HG LEU 28 3.608 -0.416 1.469 208 1HD1 LEU 28 1HD1 LEU 28 2.084 -0.405 -1.150 209 2HD1 LEU 28 2HD1 LEU 28 1.872 -1.716 0.019 210 3HD1 LEU 28 3HD1 LEU 28 1.568 -0.046 0.498 211 1HD2 LEU 28 1HD2 LEU 28 4.976 -1.656 -0.928 212 2HD2 LEU 28 2HD2 LEU 28 5.387 -1.694 0.776 213 3HD2 LEU 28 3HD2 LEU 28 4.022 -2.645 0.193 214 H LYS 29 H LYS 29 5.216 3.722 0.739 215 HA LYS 29 HA LYS 29 6.009 4.651 -1.822 216 1HB LYS 29 2HB LYS 29 4.627 5.978 -0.504 217 2HB LYS 29 3HB LYS 29 5.799 6.135 0.779 218 1HG LYS 29 2HG LYS 29 6.774 7.944 -0.204 219 2HG LYS 29 3HG LYS 29 7.037 7.053 -1.702 220 1HD LYS 29 2HD LYS 29 5.696 8.760 -2.409 221 2HD LYS 29 3HD LYS 29 4.680 7.331 -2.342 222 1HE LYS 29 2HE LYS 29 3.236 8.429 -0.988 223 2HE LYS 29 3HE LYS 29 4.467 8.530 0.251 224 1HZ LYS 29 1HZ LYS 29 3.645 10.725 -0.385 225 2HZ LYS 29 2HZ LYS 29 5.223 10.612 -0.879 226 3HZ LYS 29 3HZ LYS 29 3.975 10.464 -1.939 227 H ARG 30 H ARG 30 7.969 3.405 0.797 228 HA ARG 30 HA ARG 30 10.451 4.536 -0.221 229 1HB ARG 30 2HB ARG 30 9.711 2.983 2.047 230 2HB ARG 30 3HB ARG 30 10.815 1.984 1.109 231 1HG ARG 30 2HG ARG 30 12.169 3.208 2.586 232 2HG ARG 30 3HG ARG 30 12.366 4.045 1.036 233 1HD ARG 30 2HD ARG 30 10.623 5.714 1.790 234 2HD ARG 30 3HD ARG 30 10.480 4.808 3.314 235 HE ARG 30 HE ARG 30 13.205 5.626 2.730 236 1HH1 ARG 30 2HH2 ARG 30 10.147 6.779 4.029 237 2HH1 ARG 30 1HH2 ARG 30 10.843 7.971 5.087 238 1HH2 ARG 30 2HH1 ARG 30 14.184 7.222 4.097 239 2HH2 ARG 30 1HH1 ARG 30 13.206 8.240 5.098 240 H MET 31 H MET 31 8.398 1.921 -1.432 241 HA MET 31 HA MET 31 10.496 0.262 -2.419 242 1HB MET 31 2HB MET 31 7.595 0.577 -3.295 243 2HB MET 31 3HB MET 31 8.658 -0.701 -3.859 244 1HG MET 31 2HG MET 31 8.544 -0.522 -0.898 245 2HG MET 31 3HG MET 31 7.009 -0.835 -1.695 246 1HE MET 31 1HE MET 31 10.594 -2.213 -2.762 247 2HE MET 31 2HE MET 31 10.582 -2.234 -0.983 248 3HE MET 31 3HE MET 31 10.552 -3.761 -1.906 249 HA PRO 32 HA PRO 32 11.683 2.869 -5.891 250 1HB PRO 32 2HB PRO 32 13.183 1.137 -7.382 251 2HB PRO 32 3HB PRO 32 13.718 1.738 -5.786 252 1HG PRO 32 2HG PRO 32 12.347 -0.893 -6.405 253 2HG PRO 32 3HG PRO 32 13.825 -0.635 -5.442 254 1HD PRO 32 2HD PRO 32 11.362 -0.888 -4.319 255 2HD PRO 32 3HD PRO 32 12.578 0.225 -3.611 256 H GLY 33 H GLY 33 9.615 3.284 -6.939 257 1HA GLY 33 2HA GLY 33 9.056 2.688 -9.496 258 2HA GLY 33 3HA GLY 33 8.507 1.219 -8.745 259 H VAL 34 H VAL 34 7.843 2.798 -6.187 260 HA VAL 34 HA VAL 34 5.123 3.517 -6.800 261 HB VAL 34 HB VAL 34 6.075 2.599 -4.662 262 1HG1 VAL 34 1HG1 VAL 34 6.835 5.401 -3.851 263 2HG1 VAL 34 2HG1 VAL 34 7.430 3.807 -3.296 264 3HG1 VAL 34 3HG1 VAL 34 7.998 4.490 -4.804 265 1HG2 VAL 34 1HG2 VAL 34 4.504 5.179 -4.279 266 2HG2 VAL 34 2HG2 VAL 34 3.817 3.648 -4.858 267 3HG2 VAL 34 3HG2 VAL 34 4.521 3.733 -3.243 268 H THR 35 H THR 35 4.191 5.597 -6.762 269 HA THR 35 HA THR 35 6.065 7.932 -6.949 270 HB THR 35 HB THR 35 3.418 8.604 -7.891 271 HG1 THR 35 1HG THR 35 4.589 6.265 -8.959 272 1HG2 THR 35 1HG2 THR 35 6.068 8.301 -9.375 273 2HG2 THR 35 2HG2 THR 35 4.631 9.183 -9.942 274 3HG2 THR 35 3HG2 THR 35 5.511 9.756 -8.514 275 H ASP 36 H ASP 36 2.718 7.004 -5.943 276 HA ASP 36 HA ASP 36 3.119 8.472 -3.434 277 1HB ASP 36 2HB ASP 36 1.462 9.590 -5.668 278 2HB ASP 36 3HB ASP 36 0.774 9.658 -4.042 279 H ALA 37 H ALA 37 1.508 8.219 -1.904 280 HA ALA 37 HA ALA 37 -0.120 5.733 -2.129 281 1HB ALA 37 1HB ALA 37 0.771 5.263 0.163 282 2HB ALA 37 2HB ALA 37 2.022 5.150 -1.092 283 3HB ALA 37 3HB ALA 37 1.933 6.571 -0.026 284 H ASN 38 H ASN 38 -2.141 5.984 -1.123 285 HA ASN 38 HA ASN 38 -2.573 8.287 0.702 286 1HB ASN 38 2HB ASN 38 -3.631 8.061 -2.098 287 2HB ASN 38 3HB ASN 38 -4.794 8.504 -0.848 288 1HD2 ASN 38 1HD2 ASN 38 -1.974 9.626 -2.641 289 2HD2 ASN 38 2HD2 ASN 38 -2.018 11.250 -1.980 290 H VAL 39 H VAL 39 -3.608 7.547 2.409 291 HA VAL 39 HA VAL 39 -5.104 5.023 2.173 292 HB VAL 39 HB VAL 39 -3.185 5.270 3.707 293 1HG1 VAL 39 1HG1 VAL 39 -5.070 6.971 5.401 294 2HG1 VAL 39 2HG1 VAL 39 -3.486 6.342 5.884 295 3HG1 VAL 39 3HG1 VAL 39 -3.599 7.551 4.592 296 1HG2 VAL 39 1HG2 VAL 39 -4.005 3.723 5.068 297 2HG2 VAL 39 2HG2 VAL 39 -5.519 4.590 5.433 298 3HG2 VAL 39 3HG2 VAL 39 -5.343 3.694 3.925 299 H ASN 40 H ASN 40 -7.129 4.633 2.677 300 HA ASN 40 HA ASN 40 -8.917 6.904 3.258 301 1HB ASN 40 2HB ASN 40 -8.829 6.207 0.821 302 2HB ASN 40 3HB ASN 40 -9.468 4.631 1.293 303 1HD2 ASN 40 1HD2 ASN 40 -11.361 5.190 -0.099 304 2HD2 ASN 40 2HD2 ASN 40 -12.645 6.107 0.665 305 H LEU 41 H LEU 41 -8.487 5.951 5.463 306 HA LEU 41 HA LEU 41 -9.653 3.410 6.137 307 1HB LEU 41 2HB LEU 41 -9.131 5.844 7.894 308 2HB LEU 41 3HB LEU 41 -9.586 4.229 8.457 309 HG LEU 41 HG LEU 41 -7.046 5.006 6.979 310 1HD1 LEU 41 1HD1 LEU 41 -6.681 5.530 9.198 311 2HD1 LEU 41 2HD1 LEU 41 -7.737 4.227 9.815 312 3HD1 LEU 41 3HD1 LEU 41 -6.132 3.839 9.197 313 1HD2 LEU 41 1HD2 LEU 41 -7.547 2.801 6.140 314 2HD2 LEU 41 2HD2 LEU 41 -6.396 2.563 7.446 315 3HD2 LEU 41 3HD2 LEU 41 -8.123 2.277 7.747 316 H ALA 42 H ALA 42 -11.160 6.359 5.310 317 HA ALA 42 HA ALA 42 -13.672 5.984 6.691 318 1HB ALA 42 1HB ALA 42 -13.124 7.273 3.992 319 2HB ALA 42 2HB ALA 42 -14.558 7.504 5.005 320 3HB ALA 42 3HB ALA 42 -12.982 8.116 5.555 321 H THR 43 H THR 43 -12.046 4.171 4.251 322 HA THR 43 HA THR 43 -14.482 2.513 3.891 323 HB THR 43 HB THR 43 -12.488 3.281 1.707 324 HG1 THR 43 1HG THR 43 -14.805 4.527 2.628 325 1HG2 THR 43 1HG2 THR 43 -15.251 2.011 1.603 326 2HG2 THR 43 2HG2 THR 43 -14.355 2.619 0.189 327 3HG2 THR 43 3HG2 THR 43 -13.714 1.256 1.112 328 H GLU 44 H GLU 44 -11.889 2.439 5.634 329 HA GLU 44 HA GLU 44 -10.131 1.054 6.096 330 1HB GLU 44 2HB GLU 44 -12.298 -0.907 5.205 331 2HB GLU 44 3HB GLU 44 -10.843 -1.362 6.063 332 1HG GLU 44 2HG GLU 44 -12.471 -1.196 7.737 333 2HG GLU 44 3HG GLU 44 -11.505 0.272 7.916 334 H THR 45 H THR 45 -9.828 2.170 3.442 335 HA THR 45 HA THR 45 -8.579 -0.053 1.917 336 HB THR 45 HB THR 45 -10.523 2.072 0.937 337 HG1 THR 45 1HG THR 45 -11.418 0.138 1.827 338 1HG2 THR 45 1HG2 THR 45 -9.210 -0.036 -0.817 339 2HG2 THR 45 2HG2 THR 45 -10.350 1.210 -1.294 340 3HG2 THR 45 3HG2 THR 45 -8.716 1.679 -0.812 341 H VAL 46 H VAL 46 -6.864 0.577 0.571 342 HA VAL 46 HA VAL 46 -5.943 3.380 0.879 343 HB VAL 46 HB VAL 46 -4.843 2.034 2.574 344 1HG1 VAL 46 1HG1 VAL 46 -4.900 -0.201 1.362 345 2HG1 VAL 46 2HG1 VAL 46 -3.617 0.404 0.309 346 3HG1 VAL 46 3HG1 VAL 46 -3.303 0.207 2.030 347 1HG2 VAL 46 1HG2 VAL 46 -3.532 3.882 1.438 348 2HG2 VAL 46 2HG2 VAL 46 -2.552 2.590 2.096 349 3HG2 VAL 46 3HG2 VAL 46 -2.881 2.674 0.340 350 H ASN 47 H ASN 47 -4.746 4.134 -0.870 351 HA ASN 47 HA ASN 47 -4.642 2.342 -3.212 352 1HB ASN 47 2HB ASN 47 -5.543 3.895 -4.671 353 2HB ASN 47 3HB ASN 47 -6.556 4.150 -3.255 354 1HD2 ASN 47 1HD2 ASN 47 -3.853 5.423 -5.213 355 2HD2 ASN 47 2HD2 ASN 47 -3.955 7.060 -4.593 356 H VAL 48 H VAL 48 -2.957 2.734 -4.656 357 HA VAL 48 HA VAL 48 -0.947 4.701 -3.927 358 HB VAL 48 HB VAL 48 -0.376 2.934 -2.350 359 1HG1 VAL 48 1HG1 VAL 48 0.307 0.688 -3.099 360 2HG1 VAL 48 2HG1 VAL 48 -1.400 1.012 -3.438 361 3HG1 VAL 48 3HG1 VAL 48 -0.210 1.084 -4.755 362 1HG2 VAL 48 1HG2 VAL 48 1.939 2.448 -3.023 363 2HG2 VAL 48 2HG2 VAL 48 1.582 2.975 -4.678 364 3HG2 VAL 48 3HG2 VAL 48 1.515 4.132 -3.332 365 H ILE 49 H ILE 49 0.320 5.237 -5.576 366 HA ILE 49 HA ILE 49 -0.339 4.110 -8.246 367 HB ILE 49 HB ILE 49 0.815 6.820 -7.538 368 1HG1 ILE 49 2HG1 ILE 49 -1.789 7.014 -8.774 369 2HG1 ILE 49 3HG1 ILE 49 -1.955 5.922 -7.406 370 1HG2 ILE 49 1HG2 ILE 49 -0.268 5.724 -10.168 371 2HG2 ILE 49 2HG2 ILE 49 0.320 7.377 -9.885 372 3HG2 ILE 49 3HG2 ILE 49 1.441 6.014 -9.790 373 1HD1 ILE 49 1HD1 ILE 49 -2.350 8.250 -6.738 374 2HD1 ILE 49 2HD1 ILE 49 -0.894 7.629 -5.931 375 3HD1 ILE 49 3HD1 ILE 49 -0.742 8.718 -7.331 376 H TYR 50 H TYR 50 1.201 2.978 -9.270 377 HA TYR 50 HA TYR 50 4.012 3.485 -8.695 378 1HB TYR 50 2HB TYR 50 4.400 0.983 -8.299 379 2HB TYR 50 3HB TYR 50 3.700 1.858 -6.969 380 HD1 TYR 50 HD1 TYR 50 2.642 -0.191 -10.005 381 HD2 TYR 50 HD2 TYR 50 1.854 0.850 -5.896 382 HE1 TYR 50 HE1 TYR 50 1.038 -2.038 -9.851 383 HE2 TYR 50 HE2 TYR 50 0.261 -1.031 -5.743 384 HH TYR 50 HH TYR 50 -0.601 -2.895 -6.810 385 H ASP 51 H ASP 51 5.432 2.153 -10.075 386 HA ASP 51 HA ASP 51 4.286 1.854 -12.766 387 1HB ASP 51 2HB ASP 51 6.213 3.312 -12.300 388 2HB ASP 51 3HB ASP 51 7.156 1.928 -11.813 389 HA PRO 52 HA PRO 52 4.504 -2.624 -11.678 390 1HB PRO 52 2HB PRO 52 3.007 -3.641 -13.662 391 2HB PRO 52 3HB PRO 52 2.295 -2.660 -12.350 392 1HG PRO 52 2HG PRO 52 3.132 -1.712 -15.107 393 2HG PRO 52 3HG PRO 52 1.550 -1.465 -14.307 394 1HD PRO 52 2HD PRO 52 3.554 0.382 -14.260 395 2HD PRO 52 3HD PRO 52 2.460 0.171 -12.850 396 H ALA 53 H ALA 53 6.502 -1.000 -13.656 397 HA ALA 53 HA ALA 53 7.418 -3.346 -15.252 398 1HB ALA 53 1HB ALA 53 9.142 -1.860 -16.061 399 2HB ALA 53 2HB ALA 53 7.574 -1.037 -16.193 400 3HB ALA 53 3HB ALA 53 8.705 -0.606 -14.892 401 H GLU 54 H GLU 54 8.458 -1.175 -12.665 402 HA GLU 54 HA GLU 54 10.503 -2.979 -11.567 403 1HB GLU 54 2HB GLU 54 9.263 -0.311 -10.724 404 2HB GLU 54 3HB GLU 54 10.542 -1.105 -9.827 405 1HG GLU 54 2HG GLU 54 10.777 -0.234 -12.753 406 2HG GLU 54 3HG GLU 54 11.352 0.693 -11.363 407 H THR 55 H THR 55 7.336 -1.685 -10.750 408 HA THR 55 HA THR 55 7.244 -3.179 -8.224 409 HB THR 55 HB THR 55 6.891 -0.321 -8.865 410 HG1 THR 55 1HG THR 55 8.977 -0.417 -7.654 411 1HG2 THR 55 1HG2 THR 55 7.112 -0.045 -6.388 412 2HG2 THR 55 2HG2 THR 55 5.605 -0.800 -6.919 413 3HG2 THR 55 3HG2 THR 55 6.898 -1.826 -6.204 414 H GLY 56 H GLY 56 5.460 -4.105 -7.597 415 1HA GLY 56 2HA GLY 56 3.096 -2.625 -7.507 416 2HA GLY 56 3HA GLY 56 2.880 -3.905 -8.729 417 H THR 57 H THR 57 1.324 -4.634 -7.293 418 HA THR 57 HA THR 57 1.071 -5.509 -4.824 419 HB THR 57 HB THR 57 -0.676 -5.868 -6.246 420 HG1 THR 57 1HG THR 57 0.222 -8.524 -5.928 421 1HG2 THR 57 1HG2 THR 57 1.042 -7.564 -8.096 422 2HG2 THR 57 2HG2 THR 57 -0.717 -7.390 -8.195 423 3HG2 THR 57 3HG2 THR 57 0.306 -5.981 -8.442 424 H ALA 58 H ALA 58 2.982 -7.427 -7.184 425 HA ALA 58 HA ALA 58 3.746 -9.581 -5.619 426 1HB ALA 58 1HB ALA 58 5.769 -9.647 -7.055 427 2HB ALA 58 2HB ALA 58 4.298 -9.338 -8.000 428 3HB ALA 58 3HB ALA 58 5.415 -8.006 -7.632 429 H ALA 59 H ALA 59 5.309 -6.340 -5.673 430 HA ALA 59 HA ALA 59 7.403 -7.210 -3.744 431 1HB ALA 59 1HB ALA 59 6.859 -4.505 -5.066 432 2HB ALA 59 2HB ALA 59 8.249 -4.917 -4.042 433 3HB ALA 59 3HB ALA 59 8.052 -5.700 -5.620 434 H ILE 60 H ILE 60 4.457 -5.358 -4.105 435 HA ILE 60 HA ILE 60 4.723 -3.924 -1.698 436 HB ILE 60 HB ILE 60 2.756 -4.231 -3.884 437 1HG1 ILE 60 2HG1 ILE 60 3.365 -1.822 -2.234 438 2HG1 ILE 60 3HG1 ILE 60 4.630 -2.434 -3.324 439 1HG2 ILE 60 1HG2 ILE 60 1.091 -4.635 -2.291 440 2HG2 ILE 60 2HG2 ILE 60 1.788 -3.514 -1.119 441 3HG2 ILE 60 3HG2 ILE 60 1.006 -2.903 -2.589 442 1HD1 ILE 60 1HD1 ILE 60 1.853 -1.618 -4.228 443 2HD1 ILE 60 2HD1 ILE 60 3.326 -0.634 -4.362 444 3HD1 ILE 60 3HD1 ILE 60 3.204 -2.162 -5.251 445 H GLN 61 H GLN 61 2.707 -6.874 -2.318 446 HA GLN 61 HA GLN 61 1.692 -7.139 0.317 447 1HB GLN 61 2HB GLN 61 2.400 -9.075 -1.886 448 2HB GLN 61 3HB GLN 61 2.194 -9.694 -0.242 449 1HG GLN 61 2HG GLN 61 0.150 -10.048 -1.169 450 2HG GLN 61 3HG GLN 61 -0.070 -8.636 -0.133 451 1HE2 GLN 61 1HE2 GLN 61 0.570 -6.494 -1.604 452 2HE2 GLN 61 2HE2 GLN 61 -0.322 -6.468 -3.122 453 H GLU 62 H GLU 62 4.701 -8.432 -1.041 454 HA GLU 62 HA GLU 62 5.823 -9.636 1.162 455 1HB GLU 62 2HB GLU 62 6.591 -8.993 -1.439 456 2HB GLU 62 3HB GLU 62 7.693 -7.966 -0.546 457 1HG GLU 62 2HG GLU 62 7.411 -10.948 0.068 458 2HG GLU 62 3HG GLU 62 8.356 -10.352 -1.307 459 H LYS 63 H LYS 63 6.087 -6.128 0.346 460 HA LYS 63 HA LYS 63 7.533 -5.630 2.845 461 1HB LYS 63 2HB LYS 63 6.808 -4.147 0.403 462 2HB LYS 63 3HB LYS 63 6.539 -3.257 1.887 463 1HG LYS 63 2HG LYS 63 8.765 -2.833 1.096 464 2HG LYS 63 3HG LYS 63 8.876 -3.686 2.631 465 1HD LYS 63 2HD LYS 63 8.938 -5.265 0.028 466 2HD LYS 63 3HD LYS 63 10.354 -4.310 0.490 467 1HE LYS 63 2HE LYS 63 10.507 -5.539 2.654 468 2HE LYS 63 3HE LYS 63 9.198 -6.618 2.126 469 1HZ LYS 63 1HZ LYS 63 11.273 -7.597 1.702 470 2HZ LYS 63 2HZ LYS 63 10.447 -7.413 0.374 471 3HZ LYS 63 3HZ LYS 63 11.721 -6.390 0.658 472 H ILE 64 H ILE 64 4.071 -5.346 1.852 473 HA ILE 64 HA ILE 64 3.254 -3.931 4.060 474 HB ILE 64 HB ILE 64 1.775 -6.084 2.507 475 1HG1 ILE 64 2HG1 ILE 64 2.235 -4.092 1.131 476 2HG1 ILE 64 3HG1 ILE 64 0.533 -4.281 1.509 477 1HG2 ILE 64 1HG2 ILE 64 1.063 -4.394 4.888 478 2HG2 ILE 64 2HG2 ILE 64 -0.175 -4.643 3.686 479 3HG2 ILE 64 3HG2 ILE 64 0.566 -6.057 4.464 480 1HD1 ILE 64 1HD1 ILE 64 1.058 -2.668 3.490 481 2HD1 ILE 64 2HD1 ILE 64 2.513 -2.276 2.548 482 3HD1 ILE 64 3HD1 ILE 64 0.871 -2.024 1.876 483 H GLU 65 H GLU 65 3.689 -7.510 3.620 484 HA GLU 65 HA GLU 65 2.875 -8.439 6.157 485 1HB GLU 65 2HB GLU 65 4.905 -9.298 4.111 486 2HB GLU 65 3HB GLU 65 4.778 -10.166 5.651 487 1HG GLU 65 2HG GLU 65 2.231 -9.681 4.118 488 2HG GLU 65 3HG GLU 65 3.377 -10.872 3.490 489 H LYS 66 H LYS 66 6.056 -7.006 5.189 490 HA LYS 66 HA LYS 66 7.144 -7.443 7.821 491 1HB LYS 66 2HB LYS 66 8.363 -7.393 5.589 492 2HB LYS 66 3HB LYS 66 8.279 -5.619 5.718 493 1HG LYS 66 2HG LYS 66 9.523 -5.663 7.794 494 2HG LYS 66 3HG LYS 66 9.348 -7.401 7.996 495 1HD LYS 66 2HD LYS 66 10.767 -6.393 5.539 496 2HD LYS 66 3HD LYS 66 11.592 -6.254 7.109 497 1HE LYS 66 2HE LYS 66 11.143 -8.719 7.514 498 2HE LYS 66 3HE LYS 66 10.526 -8.837 5.858 499 1HZ LYS 66 1HZ LYS 66 13.259 -8.049 6.659 500 2HZ LYS 66 2HZ LYS 66 12.814 -9.507 6.049 501 3HZ LYS 66 3HZ LYS 66 12.725 -8.167 5.104 502 H LEU 67 H LEU 67 5.512 -4.696 6.193 503 HA LEU 67 HA LEU 67 5.974 -2.791 8.256 504 1HB LEU 67 2HB LEU 67 3.802 -3.307 6.203 505 2HB LEU 67 3HB LEU 67 3.490 -2.164 7.473 506 HG LEU 67 HG LEU 67 4.211 -1.086 5.511 507 1HD1 LEU 67 1HD1 LEU 67 6.538 -0.845 7.444 508 2HD1 LEU 67 2HD1 LEU 67 5.770 0.435 6.494 509 3HD1 LEU 67 3HD1 LEU 67 4.902 -0.279 7.860 510 1HD2 LEU 67 1HD2 LEU 67 6.531 -1.168 4.643 511 2HD2 LEU 67 2HD2 LEU 67 6.802 -2.635 5.598 512 3HD2 LEU 67 3HD2 LEU 67 5.546 -2.591 4.327 513 H GLY 68 H GLY 68 4.257 -5.833 8.306 514 1HA GLY 68 2HA GLY 68 3.751 -6.929 10.277 515 2HA GLY 68 3HA GLY 68 3.671 -5.402 11.169 516 H TYR 69 H TYR 69 2.110 -5.919 8.006 517 HA TYR 69 HA TYR 69 -0.563 -6.235 9.317 518 1HB TYR 69 2HB TYR 69 0.122 -4.139 7.221 519 2HB TYR 69 3HB TYR 69 -1.495 -4.509 7.809 520 HD1 TYR 69 HD1 TYR 69 1.815 -3.159 8.776 521 HD2 TYR 69 HD2 TYR 69 -2.327 -3.506 9.835 522 HE1 TYR 69 HE1 TYR 69 2.175 -1.557 10.594 523 HE2 TYR 69 HE2 TYR 69 -2.008 -1.808 11.626 524 HH TYR 69 HH TYR 69 1.164 -0.291 12.252 525 H HIS 70 H HIS 70 -2.243 -6.719 7.535 526 HA HIS 70 HA HIS 70 -0.990 -8.279 5.342 527 1HB HIS 70 2HB HIS 70 -3.483 -9.433 5.886 528 2HB HIS 70 3HB HIS 70 -1.870 -10.123 6.030 529 HD1 HIS 70 1HD HIS 70 -2.145 -11.619 8.084 530 HD2 HIS 70 2HD HIS 70 -3.716 -7.762 8.547 531 HE1 HIS 70 1HE HIS 70 -3.097 -11.491 10.454 532 H VAL 71 H VAL 71 -1.577 -7.490 3.500 533 HA VAL 71 HA VAL 71 -3.947 -5.708 3.283 534 HB VAL 71 HB VAL 71 -1.732 -4.971 2.384 535 1HG1 VAL 71 1HG1 VAL 71 -0.973 -5.808 0.227 536 2HG1 VAL 71 2HG1 VAL 71 -0.995 -7.143 1.396 537 3HG1 VAL 71 3HG1 VAL 71 -2.285 -6.994 0.175 538 1HG2 VAL 71 1HG2 VAL 71 -3.787 -3.913 1.720 539 2HG2 VAL 71 2HG2 VAL 71 -2.623 -3.992 0.388 540 3HG2 VAL 71 3HG2 VAL 71 -4.002 -5.127 0.435 541 H VAL 72 H VAL 72 -5.589 -6.120 1.669 542 HA VAL 72 HA VAL 72 -5.672 -8.966 0.691 543 HB VAL 72 HB VAL 72 -8.214 -8.546 0.905 544 1HG1 VAL 72 1HG1 VAL 72 -7.027 -10.380 1.944 545 2HG1 VAL 72 2HG1 VAL 72 -6.486 -9.316 3.272 546 3HG1 VAL 72 3HG1 VAL 72 -8.218 -9.688 3.063 547 1HG2 VAL 72 1HG2 VAL 72 -8.010 -6.250 1.875 548 2HG2 VAL 72 2HG2 VAL 72 -8.872 -7.352 2.961 549 3HG2 VAL 72 3HG2 VAL 72 -7.192 -6.921 3.315 550 H ILE 73 H ILE 73 -5.024 -8.616 -1.313 551 HA ILE 73 HA ILE 73 -6.548 -6.711 -3.032 552 HB ILE 73 HB ILE 73 -4.075 -8.319 -3.760 553 1HG1 ILE 73 2HG1 ILE 73 -4.449 -5.529 -2.641 554 2HG1 ILE 73 3HG1 ILE 73 -3.397 -6.816 -2.045 555 1HG2 ILE 73 1HG2 ILE 73 -5.654 -7.632 -5.622 556 2HG2 ILE 73 2HG2 ILE 73 -5.462 -5.949 -5.103 557 3HG2 ILE 73 3HG2 ILE 73 -4.072 -6.866 -5.730 558 1HD1 ILE 73 1HD1 ILE 73 -3.026 -5.150 -4.558 559 2HD1 ILE 73 2HD1 ILE 73 -2.021 -5.184 -3.102 560 3HD1 ILE 73 3HD1 ILE 73 -2.080 -6.610 -4.174 561 H GLU 74 H GLU 74 -8.519 -7.791 -3.169 562 HA GLU 74 HA GLU 74 -8.506 -9.809 -5.212 563 1HB GLU 74 2HB GLU 74 -10.126 -11.283 -4.028 564 2HB GLU 74 3HB GLU 74 -8.501 -11.369 -3.354 565 1HG GLU 74 2HG GLU 74 -9.115 -10.455 -1.339 566 2HG GLU 74 3HG GLU 74 -10.320 -9.370 -2.045 567 H GLY 75 H GLY 75 -10.773 -10.053 -6.000 568 1HA GLY 75 2HA GLY 75 -12.948 -9.323 -6.336 569 2HA GLY 75 3HA GLY 75 -12.731 -8.017 -5.167 570 H ARG 76 H ARG 76 -11.471 -6.038 -5.906 571 HA ARG 76 HA ARG 76 -11.071 -5.557 -8.698 572 1HB ARG 76 2HB ARG 76 -13.692 -4.929 -7.351 573 2HB ARG 76 3HB ARG 76 -12.955 -3.580 -8.192 574 1HG ARG 76 2HG ARG 76 -13.416 -6.270 -9.545 575 2HG ARG 76 3HG ARG 76 -14.626 -4.991 -9.525 576 1HD ARG 76 2HD ARG 76 -11.798 -4.643 -10.608 577 2HD ARG 76 3HD ARG 76 -13.226 -5.036 -11.594 578 HE ARG 76 HE ARG 76 -13.797 -2.742 -10.018 579 1HH1 ARG 76 2HH2 ARG 76 -11.667 -3.654 -12.650 580 2HH1 ARG 76 1HH2 ARG 76 -11.655 -2.101 -13.430 581 1HH2 ARG 76 2HH1 ARG 76 -13.825 -0.644 -10.996 582 2HH2 ARG 76 1HH1 ARG 76 -12.918 -0.332 -12.440 Start of MODEL 15 1 1H MET 1 H1 MET 1 5.548 2.054 -28.530 2 2H MET 1 H2 MET 1 4.976 0.521 -28.860 3 3H MET 1 H3 MET 1 4.138 1.552 -27.864 4 HA MET 1 HA MET 1 5.194 0.095 -26.430 5 1HB MET 1 2HB MET 1 7.555 -0.431 -26.566 6 2HB MET 1 3HB MET 1 6.780 -0.783 -28.110 7 1HG MET 1 2HG MET 1 7.650 1.598 -28.827 8 2HG MET 1 3HG MET 1 8.704 1.447 -27.414 9 1HE MET 1 1HE MET 1 11.097 0.883 -30.452 10 2HE MET 1 2HE MET 1 9.748 2.031 -30.293 11 3HE MET 1 3HE MET 1 10.856 1.761 -28.923 12 H LEU 2 H LEU 2 5.616 1.079 -24.406 13 HA LEU 2 HA LEU 2 7.177 3.373 -23.953 14 1HB LEU 2 2HB LEU 2 4.480 3.876 -25.001 15 2HB LEU 2 3HB LEU 2 4.545 4.395 -23.327 16 HG LEU 2 HG LEU 2 6.694 5.231 -25.314 17 1HD1 LEU 2 1HD1 LEU 2 4.059 6.640 -24.722 18 2HD1 LEU 2 2HD1 LEU 2 5.417 7.320 -25.644 19 3HD1 LEU 2 3HD1 LEU 2 4.544 5.911 -26.269 20 1HD2 LEU 2 1HD2 LEU 2 7.164 5.556 -22.883 21 2HD2 LEU 2 2HD2 LEU 2 6.969 7.102 -23.725 22 3HD2 LEU 2 3HD2 LEU 2 5.650 6.468 -22.720 23 H SER 3 H SER 3 7.231 3.698 -21.615 24 HA SER 3 HA SER 3 6.057 1.559 -19.984 25 1HB SER 3 2HB SER 3 7.347 2.986 -18.224 26 2HB SER 3 3HB SER 3 8.304 2.141 -19.455 27 HG SER 3 HG SER 3 7.472 4.859 -19.583 28 H GLU 4 H GLU 4 4.438 2.003 -18.360 29 HA GLU 4 HA GLU 4 3.458 4.690 -17.987 30 1HB GLU 4 2HB GLU 4 1.080 3.982 -18.447 31 2HB GLU 4 3HB GLU 4 2.079 4.172 -19.890 32 1HG GLU 4 2HG GLU 4 2.343 1.754 -20.109 33 2HG GLU 4 3HG GLU 4 1.505 1.486 -18.567 34 H GLN 5 H GLN 5 2.043 4.698 -16.149 35 HA GLN 5 HA GLN 5 2.645 2.507 -14.210 36 1HB GLN 5 2HB GLN 5 2.828 4.206 -12.511 37 2HB GLN 5 3HB GLN 5 3.922 4.577 -13.851 38 1HG GLN 5 2HG GLN 5 2.073 6.192 -14.688 39 2HG GLN 5 3HG GLN 5 1.280 5.927 -13.128 40 1HE2 GLN 5 1HE2 GLN 5 4.074 5.667 -11.823 41 2HE2 GLN 5 2HE2 GLN 5 4.645 7.317 -11.745 42 H LYS 6 H LYS 6 0.973 2.597 -12.267 43 HA LYS 6 HA LYS 6 -1.600 3.673 -13.051 44 1HB LYS 6 2HB LYS 6 -1.109 1.121 -14.005 45 2HB LYS 6 3HB LYS 6 -1.826 0.766 -12.418 46 1HG LYS 6 2HG LYS 6 -3.600 2.534 -13.156 47 2HG LYS 6 3HG LYS 6 -2.985 2.305 -14.780 48 1HD LYS 6 2HD LYS 6 -4.304 0.248 -12.921 49 2HD LYS 6 3HD LYS 6 -5.011 1.027 -14.330 50 1HE LYS 6 2HE LYS 6 -4.439 -1.089 -15.151 51 2HE LYS 6 3HE LYS 6 -3.151 -0.035 -15.751 52 1HZ LYS 6 1HZ LYS 6 -1.799 -0.807 -13.897 53 2HZ LYS 6 2HZ LYS 6 -3.008 -1.797 -13.386 54 3HZ LYS 6 3HZ LYS 6 -2.279 -2.064 -14.840 55 H GLU 7 H GLU 7 -3.175 3.481 -11.444 56 HA GLU 7 HA GLU 7 -2.290 3.307 -8.665 57 1HB GLU 7 2HB GLU 7 -4.644 3.868 -8.221 58 2HB GLU 7 3HB GLU 7 -3.818 5.062 -9.224 59 1HG GLU 7 2HG GLU 7 -5.368 2.901 -10.639 60 2HG GLU 7 3HG GLU 7 -6.262 4.167 -9.790 61 H ILE 8 H ILE 8 -3.113 1.811 -7.108 62 HA ILE 8 HA ILE 8 -4.970 -0.225 -8.059 63 HB ILE 8 HB ILE 8 -2.605 -1.118 -8.005 64 1HG1 ILE 8 2HG1 ILE 8 -4.803 -2.452 -7.584 65 2HG1 ILE 8 3HG1 ILE 8 -3.229 -3.207 -7.312 66 1HG2 ILE 8 1HG2 ILE 8 -2.745 -0.552 -5.020 67 2HG2 ILE 8 2HG2 ILE 8 -1.637 -1.690 -5.774 68 3HG2 ILE 8 3HG2 ILE 8 -1.576 0.023 -6.222 69 1HD1 ILE 8 1HD1 ILE 8 -4.720 -1.864 -5.046 70 2HD1 ILE 8 2HD1 ILE 8 -4.957 -3.577 -5.484 71 3HD1 ILE 8 3HD1 ILE 8 -3.360 -2.990 -4.981 72 H ALA 9 H ALA 9 -6.499 -0.616 -6.416 73 HA ALA 9 HA ALA 9 -6.275 0.916 -3.884 74 1HB ALA 9 1HB ALA 9 -8.669 1.456 -4.029 75 2HB ALA 9 2HB ALA 9 -7.767 2.199 -5.366 76 3HB ALA 9 3HB ALA 9 -8.745 0.741 -5.655 77 H MET 10 H MET 10 -6.666 -0.382 -2.135 78 HA MET 10 HA MET 10 -8.200 -2.881 -2.433 79 1HB MET 10 2HB MET 10 -6.301 -4.319 -1.837 80 2HB MET 10 3HB MET 10 -6.054 -3.512 -3.378 81 1HG MET 10 2HG MET 10 -4.679 -1.767 -2.157 82 2HG MET 10 3HG MET 10 -4.887 -2.773 -0.703 83 1HE MET 10 1HE MET 10 -1.088 -2.946 -2.080 84 2HE MET 10 2HE MET 10 -2.179 -1.638 -2.585 85 3HE MET 10 3HE MET 10 -2.132 -2.146 -0.883 86 H GLN 11 H GLN 11 -7.741 -4.192 -0.141 87 HA GLN 11 HA GLN 11 -8.349 -2.137 1.934 88 1HB GLN 11 2HB GLN 11 -9.319 -4.887 2.435 89 2HB GLN 11 3HB GLN 11 -9.906 -3.336 2.921 90 1HG GLN 11 2HG GLN 11 -11.590 -4.157 1.612 91 2HG GLN 11 3HG GLN 11 -10.790 -3.024 0.532 92 1HE2 GLN 11 1HE2 GLN 11 -9.362 -3.973 -1.077 93 2HE2 GLN 11 2HE2 GLN 11 -9.795 -5.452 -1.852 94 H VAL 12 H VAL 12 -7.526 -2.562 4.034 95 HA VAL 12 HA VAL 12 -5.250 -4.477 4.082 96 HB VAL 12 HB VAL 12 -5.110 -2.068 5.841 97 1HG1 VAL 12 1HG1 VAL 12 -3.052 -3.561 4.174 98 2HG1 VAL 12 2HG1 VAL 12 -2.719 -2.325 5.396 99 3HG1 VAL 12 3HG1 VAL 12 -3.389 -3.889 5.894 100 1HG2 VAL 12 1HG2 VAL 12 -4.485 -2.031 2.863 101 2HG2 VAL 12 2HG2 VAL 12 -5.613 -0.946 3.722 102 3HG2 VAL 12 3HG2 VAL 12 -3.876 -0.827 4.031 103 H SER 13 H SER 13 -4.850 -5.388 6.261 104 HA SER 13 HA SER 13 -7.258 -5.208 8.018 105 1HB SER 13 2HB SER 13 -6.743 -7.360 6.401 106 2HB SER 13 3HB SER 13 -5.791 -7.801 7.761 107 HG SER 13 HG SER 13 -7.552 -7.790 9.079 108 H GLY 14 H GLY 14 -6.758 -4.756 10.093 109 1HA GLY 14 2HA GLY 14 -5.456 -5.205 12.052 110 2HA GLY 14 3HA GLY 14 -3.972 -5.196 11.109 111 H MET 15 H MET 15 -5.364 -2.648 9.733 112 HA MET 15 HA MET 15 -3.865 -0.675 11.043 113 1HB MET 15 2HB MET 15 -5.229 0.962 9.820 114 2HB MET 15 3HB MET 15 -4.670 -0.345 8.770 115 1HG MET 15 2HG MET 15 -7.441 -0.447 9.994 116 2HG MET 15 3HG MET 15 -7.118 0.529 8.572 117 1HE MET 15 1HE MET 15 -9.121 -0.742 7.588 118 2HE MET 15 2HE MET 15 -9.169 -2.500 7.290 119 3HE MET 15 3HE MET 15 -9.244 -1.880 8.953 120 H THR 16 H THR 16 -4.288 0.889 12.627 121 HA THR 16 HA THR 16 -6.913 0.747 14.069 122 HB THR 16 HB THR 16 -5.665 1.173 16.118 123 HG1 THR 16 1HG THR 16 -3.931 2.298 15.275 124 1HG2 THR 16 1HG2 THR 16 -5.974 -1.213 15.375 125 2HG2 THR 16 2HG2 THR 16 -4.351 -1.159 14.652 126 3HG2 THR 16 3HG2 THR 16 -4.545 -0.954 16.399 127 H CYS 17 H CYS 17 -6.313 2.442 11.829 128 HA CYS 17 HA CYS 17 -6.230 4.597 11.169 129 1HB CYS 17 2HB CYS 17 -8.493 4.273 12.325 130 2HB CYS 17 3HB CYS 17 -7.838 5.237 13.660 131 HG CYS 17 HG CYS 17 -8.103 5.947 10.428 132 H ALA 18 H ALA 18 -6.386 6.849 13.416 133 HA ALA 18 HA ALA 18 -4.988 8.396 14.134 134 1HB ALA 18 1HB ALA 18 -4.674 6.809 15.936 135 2HB ALA 18 2HB ALA 18 -3.342 6.013 15.080 136 3HB ALA 18 3HB ALA 18 -3.170 7.698 15.626 137 H ALA 19 H ALA 19 -2.438 6.121 13.189 138 HA ALA 19 HA ALA 19 -1.721 7.683 10.809 139 1HB ALA 19 1HB ALA 19 0.579 8.180 11.561 140 2HB ALA 19 2HB ALA 19 -0.604 8.960 12.624 141 3HB ALA 19 3HB ALA 19 0.219 7.479 13.155 142 H CYS 20 H CYS 20 -2.433 4.758 11.777 143 HA CYS 20 HA CYS 20 0.130 3.361 11.669 144 1HB CYS 20 2HB CYS 20 -2.752 2.512 12.001 145 2HB CYS 20 3HB CYS 20 -1.564 1.322 11.430 146 HG CYS 20 HG CYS 20 0.206 1.752 13.288 147 H ALA 21 H ALA 21 -2.793 3.184 9.601 148 HA ALA 21 HA ALA 21 -1.511 1.759 7.541 149 1HB ALA 21 1HB ALA 21 -3.458 2.390 6.163 150 2HB ALA 21 2HB ALA 21 -3.933 1.855 7.790 151 3HB ALA 21 3HB ALA 21 -3.903 3.591 7.402 152 H ALA 22 H ALA 22 -1.695 5.217 8.155 153 HA ALA 22 HA ALA 22 -0.565 6.121 5.701 154 1HB ALA 22 1HB ALA 22 -1.536 7.659 7.361 155 2HB ALA 22 2HB ALA 22 -0.348 7.166 8.576 156 3HB ALA 22 3HB ALA 22 0.180 8.071 7.134 157 H ARG 23 H ARG 23 1.067 5.149 8.824 158 HA ARG 23 HA ARG 23 3.705 5.322 7.712 159 1HB ARG 23 2HB ARG 23 2.634 3.721 10.061 160 2HB ARG 23 3HB ARG 23 4.324 3.765 9.563 161 1HG ARG 23 2HG ARG 23 3.548 6.492 9.636 162 2HG ARG 23 3HG ARG 23 2.784 5.770 11.056 163 1HD ARG 23 2HD ARG 23 4.925 4.911 11.839 164 2HD ARG 23 3HD ARG 23 5.727 5.445 10.336 165 HE ARG 23 HE ARG 23 4.478 7.691 11.527 166 1HH1 ARG 23 2HH2 ARG 23 7.129 5.476 12.194 167 2HH1 ARG 23 1HH2 ARG 23 8.148 6.648 12.969 168 1HH2 ARG 23 2HH1 ARG 23 5.811 9.307 12.531 169 2HH2 ARG 23 1HH1 ARG 23 7.364 8.885 13.168 170 H ILE 24 H ILE 24 1.420 2.543 7.841 171 HA ILE 24 HA ILE 24 3.083 0.586 6.719 172 HB ILE 24 HB ILE 24 0.138 1.053 6.079 173 1HG1 ILE 24 2HG1 ILE 24 1.415 -0.817 8.106 174 2HG1 ILE 24 3HG1 ILE 24 0.586 0.677 8.507 175 1HG2 ILE 24 1HG2 ILE 24 0.076 -1.299 5.394 176 2HG2 ILE 24 2HG2 ILE 24 1.183 -0.391 4.391 177 3HG2 ILE 24 3HG2 ILE 24 1.825 -1.440 5.678 178 1HD1 ILE 24 1HD1 ILE 24 -0.623 -1.867 7.438 179 2HD1 ILE 24 2HD1 ILE 24 -1.104 -0.884 8.836 180 3HD1 ILE 24 3HD1 ILE 24 -1.465 -0.346 7.193 181 H GLU 25 H GLU 25 0.894 2.818 4.920 182 HA GLU 25 HA GLU 25 1.869 1.843 2.467 183 1HB GLU 25 2HB GLU 25 -0.346 3.292 3.214 184 2HB GLU 25 3HB GLU 25 0.616 4.566 2.505 185 1HG GLU 25 2HG GLU 25 -0.683 3.630 0.691 186 2HG GLU 25 3HG GLU 25 0.951 3.007 0.458 187 H LYS 26 H LYS 26 2.785 4.695 4.455 188 HA LYS 26 HA LYS 26 4.536 5.884 2.576 189 1HB LYS 26 2HB LYS 26 4.378 5.829 5.595 190 2HB LYS 26 3HB LYS 26 5.669 6.668 4.774 191 1HG LYS 26 2HG LYS 26 2.731 7.220 4.167 192 2HG LYS 26 3HG LYS 26 3.656 8.076 5.408 193 1HD LYS 26 2HD LYS 26 5.340 8.703 3.629 194 2HD LYS 26 3HD LYS 26 4.248 8.024 2.408 195 1HE LYS 26 2HE LYS 26 2.416 9.570 3.287 196 2HE LYS 26 3HE LYS 26 3.619 10.307 4.360 197 1HZ LYS 26 1HZ LYS 26 3.334 11.598 2.411 198 2HZ LYS 26 2HZ LYS 26 4.846 10.961 2.370 199 3HZ LYS 26 3HZ LYS 26 3.646 10.336 1.418 200 H GLY 27 H GLY 27 4.910 3.090 4.727 201 1HA GLY 27 2HA GLY 27 7.618 2.421 4.237 202 2HA GLY 27 3HA GLY 27 6.272 1.281 4.402 203 H LEU 28 H LEU 28 4.659 1.774 2.190 204 HA LEU 28 HA LEU 28 6.210 0.614 0.065 205 1HB LEU 28 2HB LEU 28 3.434 1.805 -0.013 206 2HB LEU 28 3HB LEU 28 4.195 0.865 -1.289 207 HG LEU 28 HG LEU 28 3.681 -0.229 1.499 208 1HD1 LEU 28 1HD1 LEU 28 1.935 -1.529 0.107 209 2HD1 LEU 28 2HD1 LEU 28 1.635 0.146 0.569 210 3HD1 LEU 28 3HD1 LEU 28 2.111 -0.233 -1.088 211 1HD2 LEU 28 1HD2 LEU 28 5.104 -1.345 -0.905 212 2HD2 LEU 28 2HD2 LEU 28 5.396 -1.568 0.812 213 3HD2 LEU 28 3HD2 LEU 28 4.061 -2.425 0.040 214 H LYS 29 H LYS 29 5.192 3.965 0.728 215 HA LYS 29 HA LYS 29 6.019 5.112 -1.723 216 1HB LYS 29 2HB LYS 29 4.816 6.450 -0.185 217 2HB LYS 29 3HB LYS 29 6.023 6.228 1.053 218 1HG LYS 29 2HG LYS 29 6.351 8.397 0.411 219 2HG LYS 29 3HG LYS 29 7.695 7.518 -0.263 220 1HD LYS 29 2HD LYS 29 7.022 9.016 -1.935 221 2HD LYS 29 3HD LYS 29 6.403 7.448 -2.479 222 1HE LYS 29 2HE LYS 29 4.161 7.994 -1.799 223 2HE LYS 29 3HE LYS 29 4.681 9.371 -0.835 224 1HZ LYS 29 1HZ LYS 29 5.252 10.568 -2.829 225 2HZ LYS 29 2HZ LYS 29 4.779 9.305 -3.781 226 3HZ LYS 29 3HZ LYS 29 3.680 10.069 -2.838 227 H ARG 30 H ARG 30 8.031 3.605 0.746 228 HA ARG 30 HA ARG 30 10.490 4.765 -0.344 229 1HB ARG 30 2HB ARG 30 9.822 3.074 1.938 230 2HB ARG 30 3HB ARG 30 11.109 2.347 0.996 231 1HG ARG 30 2HG ARG 30 12.254 3.667 2.500 232 2HG ARG 30 3HG ARG 30 12.237 4.691 1.061 233 1HD ARG 30 2HD ARG 30 10.206 5.871 2.030 234 2HD ARG 30 3HD ARG 30 10.355 4.815 3.456 235 HE ARG 30 HE ARG 30 12.798 6.270 2.798 236 1HH1 ARG 30 2HH2 ARG 30 9.734 6.512 4.517 237 2HH1 ARG 30 1HH2 ARG 30 10.286 7.676 5.684 238 1HH2 ARG 30 2HH1 ARG 30 13.568 7.847 4.301 239 2HH2 ARG 30 1HH1 ARG 30 12.522 8.476 5.529 240 H MET 31 H MET 31 8.428 2.091 -1.413 241 HA MET 31 HA MET 31 10.617 0.518 -2.373 242 1HB MET 31 2HB MET 31 7.640 0.373 -2.946 243 2HB MET 31 3HB MET 31 8.815 -0.701 -3.685 244 1HG MET 31 2HG MET 31 9.519 -0.783 -0.980 245 2HG MET 31 3HG MET 31 7.776 -0.690 -0.931 246 1HE MET 31 1HE MET 31 10.837 -2.579 -2.505 247 2HE MET 31 2HE MET 31 10.127 -4.151 -2.939 248 3HE MET 31 3HE MET 31 9.724 -2.715 -3.889 249 HA PRO 32 HA PRO 32 11.708 2.840 -5.920 250 1HB PRO 32 2HB PRO 32 13.181 1.023 -7.339 251 2HB PRO 32 3HB PRO 32 13.721 1.675 -5.766 252 1HG PRO 32 2HG PRO 32 12.265 -0.944 -6.269 253 2HG PRO 32 3HG PRO 32 13.773 -0.699 -5.346 254 1HD PRO 32 2HD PRO 32 11.379 -0.820 -4.107 255 2HD PRO 32 3HD PRO 32 12.603 0.371 -3.568 256 H GLY 33 H GLY 33 9.605 3.199 -6.883 257 1HA GLY 33 2HA GLY 33 9.032 2.656 -9.457 258 2HA GLY 33 3HA GLY 33 8.510 1.171 -8.732 259 H VAL 34 H VAL 34 7.838 2.723 -6.125 260 HA VAL 34 HA VAL 34 5.101 3.304 -6.667 261 HB VAL 34 HB VAL 34 6.185 2.621 -4.507 262 1HG1 VAL 34 1HG1 VAL 34 8.004 4.549 -4.817 263 2HG1 VAL 34 2HG1 VAL 34 6.800 5.537 -3.991 264 3HG1 VAL 34 3HG1 VAL 34 7.446 4.059 -3.233 265 1HG2 VAL 34 1HG2 VAL 34 4.446 5.115 -4.314 266 2HG2 VAL 34 2HG2 VAL 34 3.860 3.470 -4.639 267 3HG2 VAL 34 3HG2 VAL 34 4.641 3.837 -3.097 268 H THR 35 H THR 35 4.030 5.225 -6.997 269 HA THR 35 HA THR 35 5.630 7.706 -7.389 270 HB THR 35 HB THR 35 2.875 8.012 -8.218 271 HG1 THR 35 1HG THR 35 4.285 5.799 -9.291 272 1HG2 THR 35 1HG2 THR 35 4.855 9.320 -8.977 273 2HG2 THR 35 2HG2 THR 35 5.466 7.884 -9.826 274 3HG2 THR 35 3HG2 THR 35 3.922 8.642 -10.314 275 H ASP 36 H ASP 36 2.410 6.624 -6.044 276 HA ASP 36 HA ASP 36 3.040 8.100 -3.675 277 1HB ASP 36 2HB ASP 36 2.146 9.958 -5.157 278 2HB ASP 36 3HB ASP 36 0.608 9.075 -5.221 279 H ALA 37 H ALA 37 1.749 7.898 -1.912 280 HA ALA 37 HA ALA 37 0.053 5.435 -1.874 281 1HB ALA 37 1HB ALA 37 0.987 5.310 0.478 282 2HB ALA 37 2HB ALA 37 2.185 4.994 -0.799 283 3HB ALA 37 3HB ALA 37 2.147 6.561 0.046 284 H ASN 38 H ASN 38 -2.056 5.964 -1.285 285 HA ASN 38 HA ASN 38 -2.534 8.422 0.317 286 1HB ASN 38 2HB ASN 38 -2.853 8.212 -2.513 287 2HB ASN 38 3HB ASN 38 -4.474 8.107 -1.833 288 1HD2 ASN 38 1HD2 ASN 38 -1.594 10.226 -2.269 289 2HD2 ASN 38 2HD2 ASN 38 -2.431 11.643 -1.670 290 H VAL 39 H VAL 39 -3.474 7.650 2.088 291 HA VAL 39 HA VAL 39 -4.922 5.120 2.042 292 HB VAL 39 HB VAL 39 -3.143 5.765 3.686 293 1HG1 VAL 39 1HG1 VAL 39 -3.953 8.087 4.177 294 2HG1 VAL 39 2HG1 VAL 39 -5.352 7.387 5.018 295 3HG1 VAL 39 3HG1 VAL 39 -3.713 7.090 5.620 296 1HG2 VAL 39 1HG2 VAL 39 -5.848 4.790 4.649 297 2HG2 VAL 39 2HG2 VAL 39 -4.464 3.830 4.095 298 3HG2 VAL 39 3HG2 VAL 39 -4.357 4.745 5.606 299 H ASN 40 H ASN 40 -7.032 4.689 2.586 300 HA ASN 40 HA ASN 40 -8.857 6.947 3.032 301 1HB ASN 40 2HB ASN 40 -8.819 6.231 0.591 302 2HB ASN 40 3HB ASN 40 -9.439 4.660 1.100 303 1HD2 ASN 40 1HD2 ASN 40 -11.423 5.112 -0.160 304 2HD2 ASN 40 2HD2 ASN 40 -12.661 6.087 0.605 305 H LEU 41 H LEU 41 -8.266 5.935 5.217 306 HA LEU 41 HA LEU 41 -9.425 3.405 5.903 307 1HB LEU 41 2HB LEU 41 -8.803 5.787 7.689 308 2HB LEU 41 3HB LEU 41 -9.204 4.151 8.225 309 HG LEU 41 HG LEU 41 -6.749 5.045 6.679 310 1HD1 LEU 41 1HD1 LEU 41 -5.604 4.086 8.707 311 2HD1 LEU 41 2HD1 LEU 41 -6.703 5.421 9.078 312 3HD1 LEU 41 3HD1 LEU 41 -7.202 3.724 9.378 313 1HD2 LEU 41 1HD2 LEU 41 -6.052 2.568 6.976 314 2HD2 LEU 41 2HD2 LEU 41 -7.766 2.234 7.267 315 3HD2 LEU 41 3HD2 LEU 41 -7.232 2.884 5.700 316 H ALA 42 H ALA 42 -10.949 6.372 5.224 317 HA ALA 42 HA ALA 42 -13.371 6.090 6.746 318 1HB ALA 42 1HB ALA 42 -12.753 8.135 5.445 319 2HB ALA 42 2HB ALA 42 -12.976 7.213 3.941 320 3HB ALA 42 3HB ALA 42 -14.354 7.502 5.011 321 H THR 43 H THR 43 -11.955 4.280 4.115 322 HA THR 43 HA THR 43 -14.378 2.561 3.947 323 HB THR 43 HB THR 43 -12.426 3.288 1.713 324 HG1 THR 43 1HG THR 43 -14.813 4.486 2.577 325 1HG2 THR 43 1HG2 THR 43 -14.349 2.594 0.257 326 2HG2 THR 43 2HG2 THR 43 -13.632 1.256 1.161 327 3HG2 THR 43 3HG2 THR 43 -15.169 1.969 1.709 328 H GLU 44 H GLU 44 -11.757 2.530 5.638 329 HA GLU 44 HA GLU 44 -10.045 1.128 6.171 330 1HB GLU 44 2HB GLU 44 -12.267 -0.769 5.351 331 2HB GLU 44 3HB GLU 44 -10.855 -1.282 6.256 332 1HG GLU 44 2HG GLU 44 -11.570 -0.324 8.213 333 2HG GLU 44 3HG GLU 44 -12.225 1.111 7.423 334 H THR 45 H THR 45 -9.671 2.165 3.533 335 HA THR 45 HA THR 45 -8.291 -0.059 2.189 336 HB THR 45 HB THR 45 -10.790 1.302 1.308 337 HG1 THR 45 1HG THR 45 -9.343 -0.969 0.475 338 1HG2 THR 45 1HG2 THR 45 -10.360 1.254 -1.062 339 2HG2 THR 45 2HG2 THR 45 -9.335 2.480 -0.295 340 3HG2 THR 45 3HG2 THR 45 -8.650 0.922 -0.825 341 H VAL 46 H VAL 46 -6.778 0.584 0.616 342 HA VAL 46 HA VAL 46 -5.956 3.436 0.826 343 HB VAL 46 HB VAL 46 -4.736 2.200 2.468 344 1HG1 VAL 46 1HG1 VAL 46 -4.831 -0.099 1.465 345 2HG1 VAL 46 2HG1 VAL 46 -3.690 0.409 0.211 346 3HG1 VAL 46 3HG1 VAL 46 -3.181 0.364 1.905 347 1HG2 VAL 46 1HG2 VAL 46 -2.558 2.910 1.913 348 2HG2 VAL 46 2HG2 VAL 46 -2.798 2.622 0.162 349 3HG2 VAL 46 3HG2 VAL 46 -3.565 3.984 0.949 350 H ASN 47 H ASN 47 -4.794 4.233 -0.944 351 HA ASN 47 HA ASN 47 -4.973 2.566 -3.390 352 1HB ASN 47 2HB ASN 47 -6.621 4.346 -3.529 353 2HB ASN 47 3HB ASN 47 -5.437 5.552 -3.001 354 1HD2 ASN 47 1HD2 ASN 47 -3.600 6.059 -4.467 355 2HD2 ASN 47 2HD2 ASN 47 -3.818 5.789 -6.188 356 H VAL 48 H VAL 48 -3.022 2.416 -4.474 357 HA VAL 48 HA VAL 48 -0.972 4.412 -3.876 358 HB VAL 48 HB VAL 48 -0.409 2.780 -2.242 359 1HG1 VAL 48 1HG1 VAL 48 0.163 0.483 -2.717 360 2HG1 VAL 48 2HG1 VAL 48 -1.508 0.773 -3.197 361 3HG1 VAL 48 3HG1 VAL 48 -0.231 0.681 -4.442 362 1HG2 VAL 48 1HG2 VAL 48 1.479 3.826 -3.468 363 2HG2 VAL 48 2HG2 VAL 48 1.871 2.188 -2.931 364 3HG2 VAL 48 3HG2 VAL 48 1.461 2.477 -4.631 365 H ILE 49 H ILE 49 0.341 4.880 -5.525 366 HA ILE 49 HA ILE 49 -0.376 3.781 -8.188 367 HB ILE 49 HB ILE 49 0.935 6.448 -7.601 368 1HG1 ILE 49 2HG1 ILE 49 -2.047 5.882 -7.848 369 2HG1 ILE 49 3HG1 ILE 49 -1.200 6.531 -6.435 370 1HG2 ILE 49 1HG2 ILE 49 1.068 5.404 -9.925 371 2HG2 ILE 49 2HG2 ILE 49 -0.698 5.525 -10.004 372 3HG2 ILE 49 3HG2 ILE 49 0.305 6.987 -9.876 373 1HD1 ILE 49 1HD1 ILE 49 -1.606 7.939 -9.092 374 2HD1 ILE 49 2HD1 ILE 49 -2.263 8.368 -7.506 375 3HD1 ILE 49 3HD1 ILE 49 -0.518 8.523 -7.808 376 H TYR 50 H TYR 50 1.200 2.814 -9.374 377 HA TYR 50 HA TYR 50 4.006 3.311 -8.716 378 1HB TYR 50 2HB TYR 50 4.456 0.815 -8.452 379 2HB TYR 50 3HB TYR 50 3.746 1.622 -7.082 380 HD1 TYR 50 HD1 TYR 50 2.636 -0.263 -10.209 381 HD2 TYR 50 HD2 TYR 50 2.039 0.448 -5.996 382 HE1 TYR 50 HE1 TYR 50 0.943 -2.038 -10.155 383 HE2 TYR 50 HE2 TYR 50 0.543 -1.500 -5.903 384 HH TYR 50 HH TYR 50 -0.786 -2.971 -7.226 385 H ASP 51 H ASP 51 5.494 2.075 -10.088 386 HA ASP 51 HA ASP 51 4.461 1.933 -12.831 387 1HB ASP 51 2HB ASP 51 6.379 3.367 -12.184 388 2HB ASP 51 3HB ASP 51 7.306 1.926 -11.783 389 HA PRO 52 HA PRO 52 4.665 -2.615 -12.058 390 1HB PRO 52 2HB PRO 52 3.489 -3.498 -14.308 391 2HB PRO 52 3HB PRO 52 2.581 -2.662 -13.017 392 1HG PRO 52 2HG PRO 52 3.714 -1.442 -15.553 393 2HG PRO 52 3HG PRO 52 2.041 -1.305 -14.938 394 1HD PRO 52 2HD PRO 52 3.955 0.579 -14.482 395 2HD PRO 52 3HD PRO 52 2.718 0.207 -13.230 396 H ALA 53 H ALA 53 6.824 -0.804 -13.724 397 HA ALA 53 HA ALA 53 8.042 -3.039 -15.274 398 1HB ALA 53 1HB ALA 53 8.235 -0.692 -16.095 399 2HB ALA 53 2HB ALA 53 9.133 -0.264 -14.625 400 3HB ALA 53 3HB ALA 53 9.810 -1.443 -15.758 401 H GLU 54 H GLU 54 8.645 -0.960 -12.491 402 HA GLU 54 HA GLU 54 10.735 -2.707 -11.350 403 1HB GLU 54 2HB GLU 54 9.539 0.007 -10.615 404 2HB GLU 54 3HB GLU 54 10.845 -0.785 -9.751 405 1HG GLU 54 2HG GLU 54 11.034 -0.040 -12.703 406 2HG GLU 54 3HG GLU 54 11.588 0.981 -11.370 407 H THR 55 H THR 55 7.399 -1.725 -10.809 408 HA THR 55 HA THR 55 7.242 -3.125 -8.218 409 HB THR 55 HB THR 55 6.691 -0.282 -8.818 410 HG1 THR 55 1HG THR 55 8.829 -1.764 -7.933 411 1HG2 THR 55 1HG2 THR 55 6.515 -0.129 -6.331 412 2HG2 THR 55 2HG2 THR 55 5.192 -1.003 -7.117 413 3HG2 THR 55 3HG2 THR 55 6.469 -1.929 -6.253 414 H GLY 56 H GLY 56 5.493 -4.160 -7.689 415 1HA GLY 56 2HA GLY 56 3.123 -2.730 -7.829 416 2HA GLY 56 3HA GLY 56 2.949 -4.138 -8.909 417 H THR 57 H THR 57 1.336 -4.613 -7.377 418 HA THR 57 HA THR 57 1.234 -5.062 -4.738 419 HB THR 57 HB THR 57 -0.607 -5.204 -6.216 420 HG1 THR 57 1HG THR 57 -0.444 -7.634 -4.797 421 1HG2 THR 57 1HG2 THR 57 0.217 -6.368 -8.150 422 2HG2 THR 57 2HG2 THR 57 0.476 -7.861 -7.220 423 3HG2 THR 57 3HG2 THR 57 -1.165 -7.245 -7.488 424 H ALA 58 H ALA 58 2.836 -7.282 -7.032 425 HA ALA 58 HA ALA 58 3.431 -9.455 -5.403 426 1HB ALA 58 1HB ALA 58 5.190 -8.062 -7.472 427 2HB ALA 58 2HB ALA 58 5.435 -9.708 -6.853 428 3HB ALA 58 3HB ALA 58 3.978 -9.321 -7.791 429 H ALA 59 H ALA 59 5.216 -6.339 -5.528 430 HA ALA 59 HA ALA 59 7.336 -7.283 -3.670 431 1HB ALA 59 1HB ALA 59 7.956 -5.858 -5.637 432 2HB ALA 59 2HB ALA 59 6.839 -4.599 -5.065 433 3HB ALA 59 3HB ALA 59 8.260 -5.033 -4.096 434 H ILE 60 H ILE 60 4.529 -5.247 -4.016 435 HA ILE 60 HA ILE 60 4.840 -3.893 -1.566 436 HB ILE 60 HB ILE 60 2.950 -4.045 -3.827 437 1HG1 ILE 60 2HG1 ILE 60 3.401 -1.623 -2.224 438 2HG1 ILE 60 3HG1 ILE 60 4.862 -2.323 -2.932 439 1HG2 ILE 60 1HG2 ILE 60 1.175 -2.737 -2.678 440 2HG2 ILE 60 2HG2 ILE 60 1.209 -4.465 -2.288 441 3HG2 ILE 60 3HG2 ILE 60 1.841 -3.292 -1.124 442 1HD1 ILE 60 1HD1 ILE 60 2.438 -1.567 -4.542 443 2HD1 ILE 60 2HD1 ILE 60 3.958 -0.641 -4.406 444 3HD1 ILE 60 3HD1 ILE 60 3.971 -2.248 -5.154 445 H GLN 61 H GLN 61 2.678 -6.737 -2.234 446 HA GLN 61 HA GLN 61 1.734 -7.060 0.392 447 1HB GLN 61 2HB GLN 61 2.488 -9.011 -1.775 448 2HB GLN 61 3HB GLN 61 2.170 -9.572 -0.121 449 1HG GLN 61 2HG GLN 61 0.172 -9.919 -1.161 450 2HG GLN 61 3HG GLN 61 -0.077 -8.473 -0.191 451 1HE2 GLN 61 1HE2 GLN 61 0.162 -6.321 -1.467 452 2HE2 GLN 61 2HE2 GLN 61 -0.433 -6.378 -3.132 453 H GLU 62 H GLU 62 4.809 -8.349 -0.972 454 HA GLU 62 HA GLU 62 5.947 -9.477 1.255 455 1HB GLU 62 2HB GLU 62 6.833 -8.801 -1.257 456 2HB GLU 62 3HB GLU 62 7.771 -7.638 -0.323 457 1HG GLU 62 2HG GLU 62 7.706 -10.644 0.160 458 2HG GLU 62 3HG GLU 62 8.866 -9.768 -0.857 459 H LYS 63 H LYS 63 6.231 -5.976 0.435 460 HA LYS 63 HA LYS 63 7.582 -5.533 2.958 461 1HB LYS 63 2HB LYS 63 6.889 -4.004 0.519 462 2HB LYS 63 3HB LYS 63 6.651 -3.095 1.997 463 1HG LYS 63 2HG LYS 63 8.926 -2.796 1.189 464 2HG LYS 63 3HG LYS 63 8.955 -3.636 2.749 465 1HD LYS 63 2HD LYS 63 9.227 -5.841 1.593 466 2HD LYS 63 3HD LYS 63 9.110 -5.062 0.031 467 1HE LYS 63 2HE LYS 63 11.304 -4.666 2.135 468 2HE LYS 63 3HE LYS 63 11.415 -5.651 0.670 469 1HZ LYS 63 1HZ LYS 63 11.100 -2.729 0.783 470 2HZ LYS 63 2HZ LYS 63 12.421 -3.563 0.263 471 3HZ LYS 63 3HZ LYS 63 11.013 -3.617 -0.598 472 H ILE 64 H ILE 64 4.161 -5.228 1.926 473 HA ILE 64 HA ILE 64 3.261 -3.839 4.146 474 HB ILE 64 HB ILE 64 1.894 -5.926 2.416 475 1HG1 ILE 64 2HG1 ILE 64 2.441 -3.775 1.267 476 2HG1 ILE 64 3HG1 ILE 64 0.725 -4.140 1.402 477 1HG2 ILE 64 1HG2 ILE 64 0.603 -6.059 4.324 478 2HG2 ILE 64 2HG2 ILE 64 0.972 -4.382 4.833 479 3HG2 ILE 64 3HG2 ILE 64 -0.163 -4.675 3.526 480 1HD1 ILE 64 1HD1 ILE 64 0.794 -2.610 3.500 481 2HD1 ILE 64 2HD1 ILE 64 2.374 -2.091 2.855 482 3HD1 ILE 64 3HD1 ILE 64 0.869 -1.887 1.913 483 H GLU 65 H GLU 65 3.702 -7.402 3.618 484 HA GLU 65 HA GLU 65 2.924 -8.400 6.158 485 1HB GLU 65 2HB GLU 65 4.895 -9.248 4.039 486 2HB GLU 65 3HB GLU 65 4.722 -10.167 5.539 487 1HG GLU 65 2HG GLU 65 2.313 -9.515 3.800 488 2HG GLU 65 3HG GLU 65 3.358 -10.903 3.472 489 H LYS 66 H LYS 66 6.013 -6.947 5.059 490 HA LYS 66 HA LYS 66 7.415 -7.610 7.476 491 1HB LYS 66 2HB LYS 66 8.163 -6.837 4.966 492 2HB LYS 66 3HB LYS 66 8.245 -5.287 5.781 493 1HG LYS 66 2HG LYS 66 10.317 -5.886 6.464 494 2HG LYS 66 3HG LYS 66 9.572 -7.016 7.586 495 1HD LYS 66 2HD LYS 66 10.422 -7.575 4.702 496 2HD LYS 66 3HD LYS 66 11.297 -8.092 6.153 497 1HE LYS 66 2HE LYS 66 9.623 -9.680 6.753 498 2HE LYS 66 3HE LYS 66 8.420 -9.001 5.652 499 1HZ LYS 66 1HZ LYS 66 9.582 -9.822 3.779 500 2HZ LYS 66 2HZ LYS 66 10.866 -10.309 4.686 501 3HZ LYS 66 3HZ LYS 66 9.398 -11.034 4.824 502 H LEU 67 H LEU 67 5.668 -4.721 6.286 503 HA LEU 67 HA LEU 67 6.099 -2.995 8.488 504 1HB LEU 67 2HB LEU 67 4.013 -3.341 6.313 505 2HB LEU 67 3HB LEU 67 3.644 -2.285 7.643 506 HG LEU 67 HG LEU 67 4.433 -1.074 5.788 507 1HD1 LEU 67 1HD1 LEU 67 5.044 -0.370 8.159 508 2HD1 LEU 67 2HD1 LEU 67 6.681 -0.989 7.822 509 3HD1 LEU 67 3HD1 LEU 67 6.023 0.351 6.863 510 1HD2 LEU 67 1HD2 LEU 67 6.990 -2.674 5.823 511 2HD2 LEU 67 2HD2 LEU 67 5.802 -2.431 4.507 512 3HD2 LEU 67 3HD2 LEU 67 6.815 -1.097 5.034 513 H GLY 68 H GLY 68 4.337 -6.002 8.289 514 1HA GLY 68 2HA GLY 68 3.765 -7.198 10.172 515 2HA GLY 68 3HA GLY 68 3.674 -5.728 11.147 516 H TYR 69 H TYR 69 2.100 -6.035 7.930 517 HA TYR 69 HA TYR 69 -0.531 -6.547 9.230 518 1HB TYR 69 2HB TYR 69 0.047 -4.288 7.275 519 2HB TYR 69 3HB TYR 69 -1.540 -4.748 7.884 520 HD1 TYR 69 HD1 TYR 69 1.770 -3.350 8.855 521 HD2 TYR 69 HD2 TYR 69 -2.357 -3.841 9.948 522 HE1 TYR 69 HE1 TYR 69 2.094 -1.783 10.710 523 HE2 TYR 69 HE2 TYR 69 -2.080 -2.150 11.736 524 HH TYR 69 HH TYR 69 -0.615 -0.765 12.857 525 H HIS 70 H HIS 70 -2.144 -7.054 7.479 526 HA HIS 70 HA HIS 70 -0.872 -8.228 5.085 527 1HB HIS 70 2HB HIS 70 -2.882 -9.861 5.191 528 2HB HIS 70 3HB HIS 70 -1.338 -10.151 5.978 529 HD1 HIS 70 1HD HIS 70 -2.461 -11.955 7.547 530 HD2 HIS 70 2HD HIS 70 -3.803 -8.009 7.885 531 HE1 HIS 70 1HE HIS 70 -3.871 -11.854 9.681 532 H VAL 71 H VAL 71 -1.597 -7.539 3.359 533 HA VAL 71 HA VAL 71 -4.042 -5.874 3.189 534 HB VAL 71 HB VAL 71 -1.888 -4.939 2.419 535 1HG1 VAL 71 1HG1 VAL 71 -0.886 -6.964 1.401 536 2HG1 VAL 71 2HG1 VAL 71 -2.113 -6.914 0.111 537 3HG1 VAL 71 3HG1 VAL 71 -0.937 -5.599 0.275 538 1HG2 VAL 71 1HG2 VAL 71 -3.944 -3.988 1.677 539 2HG2 VAL 71 2HG2 VAL 71 -2.693 -3.909 0.450 540 3HG2 VAL 71 3HG2 VAL 71 -4.005 -5.106 0.286 541 H VAL 72 H VAL 72 -5.646 -6.256 1.594 542 HA VAL 72 HA VAL 72 -5.737 -9.115 0.649 543 HB VAL 72 HB VAL 72 -8.266 -8.749 0.784 544 1HG1 VAL 72 1HG1 VAL 72 -7.061 -10.264 2.278 545 2HG1 VAL 72 2HG1 VAL 72 -6.668 -8.889 3.352 546 3HG1 VAL 72 3HG1 VAL 72 -8.363 -9.386 3.121 547 1HG2 VAL 72 1HG2 VAL 72 -8.130 -6.288 1.270 548 2HG2 VAL 72 2HG2 VAL 72 -9.105 -7.216 2.427 549 3HG2 VAL 72 3HG2 VAL 72 -7.476 -6.692 2.892 550 H ILE 73 H ILE 73 -6.104 -9.470 -1.428 551 HA ILE 73 HA ILE 73 -6.621 -7.151 -3.241 552 HB ILE 73 HB ILE 73 -5.439 -9.893 -3.842 553 1HG1 ILE 73 2HG1 ILE 73 -3.872 -8.691 -2.420 554 2HG1 ILE 73 3HG1 ILE 73 -3.275 -8.806 -4.069 555 1HG2 ILE 73 1HG2 ILE 73 -5.739 -7.374 -5.535 556 2HG2 ILE 73 2HG2 ILE 73 -4.747 -8.780 -5.983 557 3HG2 ILE 73 3HG2 ILE 73 -6.497 -8.948 -5.814 558 1HD1 ILE 73 1HD1 ILE 73 -4.575 -6.321 -2.854 559 2HD1 ILE 73 2HD1 ILE 73 -2.846 -6.598 -3.086 560 3HD1 ILE 73 3HD1 ILE 73 -3.901 -6.450 -4.496 561 H GLU 74 H GLU 74 -8.841 -7.158 -2.710 562 HA GLU 74 HA GLU 74 -10.271 -8.926 -4.538 563 1HB GLU 74 2HB GLU 74 -10.560 -9.508 -1.877 564 2HB GLU 74 3HB GLU 74 -11.784 -8.240 -2.028 565 1HG GLU 74 2HG GLU 74 -12.847 -9.531 -3.881 566 2HG GLU 74 3HG GLU 74 -11.547 -10.739 -3.783 567 H GLY 75 H GLY 75 -12.122 -7.775 -5.416 568 1HA GLY 75 2HA GLY 75 -13.152 -5.351 -5.298 569 2HA GLY 75 3HA GLY 75 -11.475 -4.900 -5.668 570 H ARG 76 H ARG 76 -10.994 -4.816 -7.795 571 HA ARG 76 HA ARG 76 -11.008 -5.056 -10.020 572 1HB ARG 76 2HB ARG 76 -10.732 -7.434 -9.712 573 2HB ARG 76 3HB ARG 76 -12.475 -7.690 -9.566 574 1HG ARG 76 2HG ARG 76 -12.904 -7.324 -11.790 575 2HG ARG 76 3HG ARG 76 -11.412 -6.431 -12.089 576 1HD ARG 76 2HD ARG 76 -11.321 -9.330 -11.202 577 2HD ARG 76 3HD ARG 76 -11.715 -8.939 -12.891 578 HE ARG 76 HE ARG 76 -9.466 -7.435 -12.387 579 1HH1 ARG 76 2HH2 ARG 76 -10.195 -10.870 -12.173 580 2HH1 ARG 76 1HH2 ARG 76 -8.661 -11.416 -12.776 581 1HH2 ARG 76 2HH1 ARG 76 -7.440 -8.102 -13.286 582 2HH2 ARG 76 1HH1 ARG 76 -7.051 -9.786 -13.425 Start of MODEL 16 1 1H MET 1 H1 MET 1 11.090 3.844 -20.595 2 2H MET 1 H2 MET 1 11.092 5.456 -20.998 3 3H MET 1 H3 MET 1 9.680 4.645 -20.593 4 HA MET 1 HA MET 1 9.926 4.965 -23.033 5 1HB MET 1 2HB MET 1 12.270 3.078 -22.498 6 2HB MET 1 3HB MET 1 11.470 3.208 -24.064 7 1HG MET 1 2HG MET 1 12.176 5.498 -24.347 8 2HG MET 1 3HG MET 1 12.805 5.556 -22.694 9 1HE MET 1 1HE MET 1 14.872 3.185 -26.099 10 2HE MET 1 2HE MET 1 13.317 2.647 -25.438 11 3HE MET 1 3HE MET 1 13.419 4.174 -26.356 12 H LEU 2 H LEU 2 8.121 3.827 -23.655 13 HA LEU 2 HA LEU 2 6.443 2.343 -23.546 14 1HB LEU 2 2HB LEU 2 8.650 1.245 -24.702 15 2HB LEU 2 3HB LEU 2 8.334 -0.004 -23.510 16 HG LEU 2 HG LEU 2 6.181 1.122 -25.377 17 1HD1 LEU 2 1HD1 LEU 2 6.637 -0.755 -26.891 18 2HD1 LEU 2 2HD1 LEU 2 8.025 0.338 -26.767 19 3HD1 LEU 2 3HD1 LEU 2 8.047 -1.217 -25.908 20 1HD2 LEU 2 1HD2 LEU 2 5.068 -1.028 -24.959 21 2HD2 LEU 2 2HD2 LEU 2 6.424 -1.565 -23.945 22 3HD2 LEU 2 3HD2 LEU 2 5.393 -0.218 -23.417 23 H SER 3 H SER 3 6.436 3.369 -21.296 24 HA SER 3 HA SER 3 6.328 1.370 -19.103 25 1HB SER 3 2HB SER 3 7.656 3.162 -17.812 26 2HB SER 3 3HB SER 3 8.575 2.188 -18.971 27 HG SER 3 HG SER 3 7.447 4.738 -19.504 28 H GLU 4 H GLU 4 4.321 1.737 -18.109 29 HA GLU 4 HA GLU 4 3.326 4.464 -17.815 30 1HB GLU 4 2HB GLU 4 1.011 3.640 -18.344 31 2HB GLU 4 3HB GLU 4 2.051 3.813 -19.761 32 1HG GLU 4 2HG GLU 4 2.329 1.440 -19.973 33 2HG GLU 4 3HG GLU 4 1.640 1.131 -18.370 34 H GLN 5 H GLN 5 2.047 4.614 -15.978 35 HA GLN 5 HA GLN 5 2.426 2.409 -14.003 36 1HB GLN 5 2HB GLN 5 2.508 4.117 -12.341 37 2HB GLN 5 3HB GLN 5 3.764 4.410 -13.552 38 1HG GLN 5 2HG GLN 5 2.223 6.157 -14.595 39 2HG GLN 5 3HG GLN 5 1.112 5.913 -13.236 40 1HE2 GLN 5 1HE2 GLN 5 3.209 5.534 -11.202 41 2HE2 GLN 5 2HE2 GLN 5 3.947 7.057 -10.940 42 H LYS 6 H LYS 6 0.806 2.474 -12.133 43 HA LYS 6 HA LYS 6 -1.763 3.656 -12.871 44 1HB LYS 6 2HB LYS 6 -1.214 0.719 -12.960 45 2HB LYS 6 3HB LYS 6 -2.637 1.152 -12.022 46 1HG LYS 6 2HG LYS 6 -2.195 2.116 -14.854 47 2HG LYS 6 3HG LYS 6 -3.042 0.630 -14.426 48 1HD LYS 6 2HD LYS 6 -4.682 1.985 -13.040 49 2HD LYS 6 3HD LYS 6 -3.824 3.447 -13.505 50 1HE LYS 6 2HE LYS 6 -5.572 3.507 -14.978 51 2HE LYS 6 3HE LYS 6 -4.281 2.806 -15.962 52 1HZ LYS 6 1HZ LYS 6 -6.333 1.633 -16.234 53 2HZ LYS 6 2HZ LYS 6 -5.265 0.628 -15.490 54 3HZ LYS 6 3HZ LYS 6 -6.470 1.347 -14.622 55 H GLU 7 H GLU 7 -3.272 3.697 -11.263 56 HA GLU 7 HA GLU 7 -2.366 3.673 -8.463 57 1HB GLU 7 2HB GLU 7 -4.797 4.506 -8.218 58 2HB GLU 7 3HB GLU 7 -3.593 5.610 -8.878 59 1HG GLU 7 2HG GLU 7 -4.412 5.305 -11.146 60 2HG GLU 7 3HG GLU 7 -5.537 4.033 -10.601 61 H ILE 8 H ILE 8 -2.713 1.871 -7.293 62 HA ILE 8 HA ILE 8 -4.938 0.048 -8.097 63 HB ILE 8 HB ILE 8 -2.428 -0.813 -7.767 64 1HG1 ILE 8 2HG1 ILE 8 -3.491 -2.966 -6.699 65 2HG1 ILE 8 3HG1 ILE 8 -5.021 -2.111 -6.936 66 1HG2 ILE 8 1HG2 ILE 8 -2.153 0.154 -5.527 67 2HG2 ILE 8 2HG2 ILE 8 -3.450 -0.890 -4.899 68 3HG2 ILE 8 3HG2 ILE 8 -1.964 -1.608 -5.516 69 1HD1 ILE 8 1HD1 ILE 8 -4.328 -1.783 -9.373 70 2HD1 ILE 8 2HD1 ILE 8 -2.896 -2.776 -9.029 71 3HD1 ILE 8 3HD1 ILE 8 -4.521 -3.484 -8.898 72 H ALA 9 H ALA 9 -6.425 -0.404 -6.420 73 HA ALA 9 HA ALA 9 -6.165 1.076 -3.885 74 1HB ALA 9 1HB ALA 9 -8.542 1.691 -3.950 75 2HB ALA 9 2HB ALA 9 -7.651 2.457 -5.282 76 3HB ALA 9 3HB ALA 9 -8.678 1.039 -5.600 77 H MET 10 H MET 10 -6.497 -0.299 -2.196 78 HA MET 10 HA MET 10 -8.095 -2.762 -2.549 79 1HB MET 10 2HB MET 10 -6.183 -4.205 -2.041 80 2HB MET 10 3HB MET 10 -5.884 -3.297 -3.533 81 1HG MET 10 2HG MET 10 -4.760 -1.544 -1.807 82 2HG MET 10 3HG MET 10 -4.637 -3.004 -0.833 83 1HE MET 10 1HE MET 10 -2.442 -0.815 -2.047 84 2HE MET 10 2HE MET 10 -1.973 -2.062 -0.877 85 3HE MET 10 3HE MET 10 -1.077 -1.893 -2.403 86 H GLN 11 H GLN 11 -7.827 -4.138 -0.445 87 HA GLN 11 HA GLN 11 -8.475 -2.234 1.732 88 1HB GLN 11 2HB GLN 11 -9.031 -5.215 1.561 89 2HB GLN 11 3HB GLN 11 -9.566 -4.086 2.795 90 1HG GLN 11 2HG GLN 11 -11.415 -4.475 1.345 91 2HG GLN 11 3HG GLN 11 -10.862 -2.817 1.097 92 1HE2 GLN 11 1HE2 GLN 11 -9.239 -5.739 -0.320 93 2HE2 GLN 11 2HE2 GLN 11 -9.677 -5.353 -1.952 94 H VAL 12 H VAL 12 -7.595 -2.557 3.845 95 HA VAL 12 HA VAL 12 -5.120 -4.225 3.955 96 HB VAL 12 HB VAL 12 -5.349 -1.782 5.687 97 1HG1 VAL 12 1HG1 VAL 12 -3.018 -3.201 4.338 98 2HG1 VAL 12 2HG1 VAL 12 -2.900 -1.828 5.451 99 3HG1 VAL 12 3HG1 VAL 12 -3.483 -3.384 6.047 100 1HG2 VAL 12 1HG2 VAL 12 -4.098 -0.490 3.981 101 2HG2 VAL 12 2HG2 VAL 12 -4.462 -1.789 2.801 102 3HG2 VAL 12 3HG2 VAL 12 -5.774 -0.802 3.522 103 H SER 13 H SER 13 -4.659 -5.145 6.059 104 HA SER 13 HA SER 13 -6.925 -5.091 7.986 105 1HB SER 13 2HB SER 13 -6.698 -7.164 6.411 106 2HB SER 13 3HB SER 13 -5.265 -7.544 7.325 107 HG SER 13 HG SER 13 -7.911 -7.240 8.323 108 H GLY 14 H GLY 14 -6.242 -4.455 9.936 109 1HA GLY 14 2HA GLY 14 -4.743 -4.999 11.790 110 2HA GLY 14 3HA GLY 14 -3.361 -4.723 10.740 111 H MET 15 H MET 15 -5.022 -2.304 9.565 112 HA MET 15 HA MET 15 -3.788 -0.236 10.933 113 1HB MET 15 2HB MET 15 -5.429 1.219 9.843 114 2HB MET 15 3HB MET 15 -4.704 0.075 8.698 115 1HG MET 15 2HG MET 15 -7.340 -0.517 10.044 116 2HG MET 15 3HG MET 15 -7.318 0.587 8.706 117 1HE MET 15 1HE MET 15 -8.593 -0.292 6.938 118 2HE MET 15 2HE MET 15 -6.974 -0.017 6.248 119 3HE MET 15 3HE MET 15 -7.902 -1.473 5.809 120 H THR 16 H THR 16 -4.525 1.417 12.371 121 HA THR 16 HA THR 16 -7.109 1.016 13.778 122 HB THR 16 HB THR 16 -6.078 1.275 15.950 123 HG1 THR 16 1HG THR 16 -4.355 2.541 15.369 124 1HG2 THR 16 1HG2 THR 16 -4.894 -0.803 16.235 125 2HG2 THR 16 2HG2 THR 16 -6.192 -1.062 15.053 126 3HG2 THR 16 3HG2 THR 16 -4.503 -0.902 14.513 127 H CYS 17 H CYS 17 -6.429 2.907 11.738 128 HA CYS 17 HA CYS 17 -6.403 5.148 11.303 129 1HB CYS 17 2HB CYS 17 -8.567 4.792 12.609 130 2HB CYS 17 3HB CYS 17 -7.756 5.581 13.981 131 HG CYS 17 HG CYS 17 -8.166 6.687 10.875 132 H ALA 18 H ALA 18 -6.093 7.323 13.491 133 HA ALA 18 HA ALA 18 -4.317 8.590 14.114 134 1HB ALA 18 1HB ALA 18 -3.801 6.015 15.645 135 2HB ALA 18 2HB ALA 18 -3.293 7.652 16.123 136 3HB ALA 18 3HB ALA 18 -5.018 7.246 16.053 137 H ALA 19 H ALA 19 -3.586 7.805 11.649 138 HA ALA 19 HA ALA 19 -1.837 7.672 10.231 139 1HB ALA 19 1HB ALA 19 -1.009 9.532 11.678 140 2HB ALA 19 2HB ALA 19 -0.072 8.349 12.616 141 3HB ALA 19 3HB ALA 19 0.288 8.604 10.903 142 H CYS 20 H CYS 20 -2.543 5.187 11.939 143 HA CYS 20 HA CYS 20 -0.038 3.656 12.057 144 1HB CYS 20 2HB CYS 20 -2.959 2.845 12.435 145 2HB CYS 20 3HB CYS 20 -1.605 1.712 12.428 146 HG CYS 20 HG CYS 20 -2.197 2.069 14.863 147 H ALA 21 H ALA 21 -3.087 3.439 10.249 148 HA ALA 21 HA ALA 21 -2.492 1.748 8.166 149 1HB ALA 21 1HB ALA 21 -4.235 2.804 6.984 150 2HB ALA 21 2HB ALA 21 -4.613 2.831 8.720 151 3HB ALA 21 3HB ALA 21 -4.060 4.317 7.933 152 H ALA 22 H ALA 22 -1.713 5.189 8.476 153 HA ALA 22 HA ALA 22 -0.694 5.641 5.857 154 1HB ALA 22 1HB ALA 22 -0.077 6.986 8.528 155 2HB ALA 22 2HB ALA 22 0.331 7.646 6.922 156 3HB ALA 22 3HB ALA 22 -1.371 7.436 7.403 157 H ARG 23 H ARG 23 0.894 4.323 8.816 158 HA ARG 23 HA ARG 23 3.594 4.622 7.910 159 1HB ARG 23 2HB ARG 23 2.281 2.690 9.851 160 2HB ARG 23 3HB ARG 23 3.984 2.616 9.486 161 1HG ARG 23 2HG ARG 23 2.809 5.296 10.239 162 2HG ARG 23 3HG ARG 23 3.059 4.080 11.500 163 1HD ARG 23 2HD ARG 23 5.358 4.215 11.414 164 2HD ARG 23 3HD ARG 23 5.381 4.366 9.665 165 HE ARG 23 HE ARG 23 5.730 6.539 9.858 166 1HH1 ARG 23 2HH2 ARG 23 3.819 5.626 12.659 167 2HH1 ARG 23 1HH2 ARG 23 3.941 7.158 13.468 168 1HH2 ARG 23 2HH1 ARG 23 5.979 8.577 10.897 169 2HH2 ARG 23 1HH1 ARG 23 5.191 8.891 12.407 170 H ILE 24 H ILE 24 1.216 1.999 7.542 171 HA ILE 24 HA ILE 24 2.787 0.048 6.279 172 HB ILE 24 HB ILE 24 -0.136 0.789 5.740 173 1HG1 ILE 24 2HG1 ILE 24 -0.542 -1.351 7.065 174 2HG1 ILE 24 3HG1 ILE 24 1.153 -1.269 7.571 175 1HG2 ILE 24 1HG2 ILE 24 0.886 -0.617 3.918 176 2HG2 ILE 24 2HG2 ILE 24 1.231 -1.817 5.206 177 3HG2 ILE 24 3HG2 ILE 24 -0.438 -1.381 4.789 178 1HD1 ILE 24 1HD1 ILE 24 -0.474 1.163 7.984 179 2HD1 ILE 24 2HD1 ILE 24 -1.007 -0.206 8.933 180 3HD1 ILE 24 3HD1 ILE 24 0.668 0.405 9.100 181 H GLU 25 H GLU 25 0.728 2.529 4.658 182 HA GLU 25 HA GLU 25 1.889 1.837 2.166 183 1HB GLU 25 2HB GLU 25 -0.397 3.278 2.969 184 2HB GLU 25 3HB GLU 25 0.614 4.470 2.151 185 1HG GLU 25 2HG GLU 25 -0.725 3.435 0.429 186 2HG GLU 25 3HG GLU 25 0.921 2.850 0.223 187 H LYS 26 H LYS 26 2.678 4.423 4.500 188 HA LYS 26 HA LYS 26 4.375 5.967 2.844 189 1HB LYS 26 2HB LYS 26 4.211 5.357 5.802 190 2HB LYS 26 3HB LYS 26 5.558 6.270 5.182 191 1HG LYS 26 2HG LYS 26 2.711 7.103 4.497 192 2HG LYS 26 3HG LYS 26 3.471 7.554 6.032 193 1HD LYS 26 2HD LYS 26 5.423 8.545 4.742 194 2HD LYS 26 3HD LYS 26 4.596 8.143 3.244 195 1HE LYS 26 2HE LYS 26 4.205 10.468 3.662 196 2HE LYS 26 3HE LYS 26 2.672 9.629 3.947 197 1HZ LYS 26 1HZ LYS 26 3.168 11.253 5.644 198 2HZ LYS 26 2HZ LYS 26 3.142 9.752 6.310 199 3HZ LYS 26 3HZ LYS 26 4.580 10.509 6.025 200 H GLY 27 H GLY 27 4.905 2.957 4.665 201 1HA GLY 27 2HA GLY 27 7.620 2.436 4.099 202 2HA GLY 27 3HA GLY 27 6.327 1.221 4.193 203 H LEU 28 H LEU 28 4.675 1.651 2.099 204 HA LEU 28 HA LEU 28 6.207 0.719 -0.126 205 1HB LEU 28 2HB LEU 28 3.371 1.730 0.012 206 2HB LEU 28 3HB LEU 28 4.109 0.908 -1.364 207 HG LEU 28 HG LEU 28 3.760 -0.360 1.381 208 1HD1 LEU 28 1HD1 LEU 28 2.129 -1.721 -0.007 209 2HD1 LEU 28 2HD1 LEU 28 1.704 -0.062 0.417 210 3HD1 LEU 28 3HD1 LEU 28 2.234 -0.443 -1.229 211 1HD2 LEU 28 1HD2 LEU 28 5.239 -1.316 -1.085 212 2HD2 LEU 28 2HD2 LEU 28 5.623 -1.483 0.627 213 3HD2 LEU 28 3HD2 LEU 28 4.348 -2.469 -0.075 214 H LYS 29 H LYS 29 5.099 3.998 0.701 215 HA LYS 29 HA LYS 29 5.797 5.110 -1.841 216 1HB LYS 29 2HB LYS 29 4.355 6.318 -0.599 217 2HB LYS 29 3HB LYS 29 5.353 6.370 0.845 218 1HG LYS 29 2HG LYS 29 6.663 8.120 0.048 219 2HG LYS 29 3HG LYS 29 6.545 7.585 -1.631 220 1HD LYS 29 2HD LYS 29 5.454 9.691 -1.398 221 2HD LYS 29 3HD LYS 29 4.410 8.390 -1.962 222 1HE LYS 29 2HE LYS 29 3.298 8.209 0.184 223 2HE LYS 29 3HE LYS 29 4.421 9.367 0.920 224 1HZ LYS 29 1HZ LYS 29 2.243 10.341 0.237 225 2HZ LYS 29 2HZ LYS 29 3.510 11.080 -0.524 226 3HZ LYS 29 3HZ LYS 29 2.575 10.014 -1.303 227 H ARG 30 H ARG 30 7.851 3.790 0.633 228 HA ARG 30 HA ARG 30 10.217 5.096 -0.560 229 1HB ARG 30 2HB ARG 30 9.668 3.872 1.951 230 2HB ARG 30 3HB ARG 30 10.799 2.814 1.131 231 1HG ARG 30 2HG ARG 30 12.339 4.160 2.031 232 2HG ARG 30 3HG ARG 30 12.057 5.171 0.627 233 1HD ARG 30 2HD ARG 30 10.450 6.553 1.871 234 2HD ARG 30 3HD ARG 30 10.554 5.519 3.289 235 HE ARG 30 HE ARG 30 12.331 7.649 2.539 236 1HH1 ARG 30 2HH2 ARG 30 12.317 4.499 4.092 237 2HH1 ARG 30 1HH2 ARG 30 13.715 4.775 5.086 238 1HH2 ARG 30 2HH1 ARG 30 14.186 8.095 3.870 239 2HH2 ARG 30 1HH1 ARG 30 14.792 6.888 4.952 240 H MET 31 H MET 31 8.249 2.390 -1.515 241 HA MET 31 HA MET 31 10.425 0.627 -2.184 242 1HB MET 31 2HB MET 31 7.464 0.577 -2.605 243 2HB MET 31 3HB MET 31 8.441 -0.292 -3.764 244 1HG MET 31 2HG MET 31 7.717 -1.770 -2.100 245 2HG MET 31 3HG MET 31 9.464 -1.658 -2.039 246 1HE MET 31 1HE MET 31 10.780 -1.036 0.090 247 2HE MET 31 2HE MET 31 10.228 0.657 0.065 248 3HE MET 31 3HE MET 31 10.067 -0.289 1.544 249 HA PRO 32 HA PRO 32 11.773 2.610 -5.864 250 1HB PRO 32 2HB PRO 32 13.170 0.628 -7.097 251 2HB PRO 32 3HB PRO 32 13.699 1.353 -5.552 252 1HG PRO 32 2HG PRO 32 12.121 -1.214 -5.925 253 2HG PRO 32 3HG PRO 32 13.606 -0.979 -4.960 254 1HD PRO 32 2HD PRO 32 11.142 -0.889 -3.829 255 2HD PRO 32 3HD PRO 32 12.427 0.243 -3.298 256 H GLY 33 H GLY 33 9.705 3.017 -6.829 257 1HA GLY 33 2HA GLY 33 9.157 2.583 -9.355 258 2HA GLY 33 3HA GLY 33 8.612 1.035 -8.757 259 H VAL 34 H VAL 34 7.920 2.699 -6.088 260 HA VAL 34 HA VAL 34 5.199 3.368 -6.751 261 HB VAL 34 HB VAL 34 6.241 2.655 -4.527 262 1HG1 VAL 34 1HG1 VAL 34 8.025 4.627 -4.827 263 2HG1 VAL 34 2HG1 VAL 34 6.776 5.594 -4.040 264 3HG1 VAL 34 3HG1 VAL 34 7.455 4.149 -3.253 265 1HG2 VAL 34 1HG2 VAL 34 4.579 3.791 -3.230 266 2HG2 VAL 34 2HG2 VAL 34 4.454 5.117 -4.399 267 3HG2 VAL 34 3HG2 VAL 34 3.902 3.486 -4.826 268 H THR 35 H THR 35 4.286 5.500 -6.715 269 HA THR 35 HA THR 35 6.203 7.778 -6.932 270 HB THR 35 HB THR 35 3.638 8.428 -8.141 271 HG1 THR 35 1HG THR 35 5.050 6.167 -9.093 272 1HG2 THR 35 1HG2 THR 35 5.777 9.630 -8.540 273 2HG2 THR 35 2HG2 THR 35 6.458 8.174 -9.305 274 3HG2 THR 35 3HG2 THR 35 5.080 9.017 -10.052 275 H ASP 36 H ASP 36 2.800 6.879 -6.006 276 HA ASP 36 HA ASP 36 3.192 8.538 -3.647 277 1HB ASP 36 2HB ASP 36 2.146 9.918 -5.712 278 2HB ASP 36 3HB ASP 36 0.657 9.233 -5.045 279 H ALA 37 H ALA 37 1.300 8.455 -2.168 280 HA ALA 37 HA ALA 37 -0.233 5.937 -2.251 281 1HB ALA 37 1HB ALA 37 0.565 5.243 -0.057 282 2HB ALA 37 2HB ALA 37 1.924 5.287 -1.196 283 3HB ALA 37 3HB ALA 37 1.711 6.582 0.005 284 H ASN 38 H ASN 38 -2.186 6.157 -1.214 285 HA ASN 38 HA ASN 38 -2.756 8.558 0.442 286 1HB ASN 38 2HB ASN 38 -4.049 7.815 -2.216 287 2HB ASN 38 3HB ASN 38 -4.844 8.828 -1.008 288 1HD2 ASN 38 1HD2 ASN 38 -2.988 9.044 -3.795 289 2HD2 ASN 38 2HD2 ASN 38 -2.298 10.626 -3.493 290 H VAL 39 H VAL 39 -3.467 7.587 2.247 291 HA VAL 39 HA VAL 39 -4.915 5.051 2.168 292 HB VAL 39 HB VAL 39 -3.130 5.543 3.777 293 1HG1 VAL 39 1HG1 VAL 39 -3.522 6.954 5.723 294 2HG1 VAL 39 2HG1 VAL 39 -3.615 7.942 4.260 295 3HG1 VAL 39 3HG1 VAL 39 -5.103 7.458 5.100 296 1HG2 VAL 39 1HG2 VAL 39 -5.842 4.994 5.031 297 2HG2 VAL 39 2HG2 VAL 39 -4.793 3.802 4.229 298 3HG2 VAL 39 3HG2 VAL 39 -4.244 4.618 5.701 299 H ASN 40 H ASN 40 -7.023 4.617 2.641 300 HA ASN 40 HA ASN 40 -8.844 6.875 3.149 301 1HB ASN 40 2HB ASN 40 -8.765 6.235 0.696 302 2HB ASN 40 3HB ASN 40 -9.409 4.652 1.140 303 1HD2 ASN 40 1HD2 ASN 40 -11.316 5.263 -0.226 304 2HD2 ASN 40 2HD2 ASN 40 -12.577 6.189 0.559 305 H LEU 41 H LEU 41 -8.438 5.889 5.342 306 HA LEU 41 HA LEU 41 -9.583 3.358 5.992 307 1HB LEU 41 2HB LEU 41 -9.227 5.823 7.741 308 2HB LEU 41 3HB LEU 41 -9.636 4.199 8.318 309 HG LEU 41 HG LEU 41 -7.065 5.061 6.954 310 1HD1 LEU 41 1HD1 LEU 41 -7.436 5.568 9.365 311 2HD1 LEU 41 2HD1 LEU 41 -7.644 3.819 9.679 312 3HD1 LEU 41 3HD1 LEU 41 -6.089 4.450 9.107 313 1HD2 LEU 41 1HD2 LEU 41 -6.438 2.585 7.597 314 2HD2 LEU 41 2HD2 LEU 41 -8.180 2.306 7.589 315 3HD2 LEU 41 3HD2 LEU 41 -7.350 2.839 6.104 316 H ALA 42 H ALA 42 -11.161 6.291 5.150 317 HA ALA 42 HA ALA 42 -13.634 5.975 6.546 318 1HB ALA 42 1HB ALA 42 -13.199 7.012 3.717 319 2HB ALA 42 2HB ALA 42 -14.580 7.337 4.773 320 3HB ALA 42 3HB ALA 42 -12.980 7.989 5.189 321 H THR 43 H THR 43 -12.097 4.155 3.980 322 HA THR 43 HA THR 43 -14.522 2.443 3.666 323 HB THR 43 HB THR 43 -12.370 3.145 1.624 324 HG1 THR 43 1HG THR 43 -14.835 4.348 2.240 325 1HG2 THR 43 1HG2 THR 43 -14.128 2.471 -0.010 326 2HG2 THR 43 2HG2 THR 43 -13.565 1.119 0.980 327 3HG2 THR 43 3HG2 THR 43 -15.128 1.887 1.341 328 H GLU 44 H GLU 44 -11.838 2.403 5.457 329 HA GLU 44 HA GLU 44 -10.006 1.138 5.798 330 1HB GLU 44 2HB GLU 44 -12.107 -1.033 5.418 331 2HB GLU 44 3HB GLU 44 -10.539 -1.254 6.193 332 1HG GLU 44 2HG GLU 44 -11.218 0.754 7.728 333 2HG GLU 44 3HG GLU 44 -12.865 0.443 7.152 334 H THR 45 H THR 45 -9.716 2.120 3.336 335 HA THR 45 HA THR 45 -8.519 -0.090 1.766 336 HB THR 45 HB THR 45 -10.432 2.086 0.818 337 HG1 THR 45 1HG THR 45 -11.623 0.211 0.154 338 1HG2 THR 45 1HG2 THR 45 -9.080 0.028 -0.965 339 2HG2 THR 45 2HG2 THR 45 -10.254 1.251 -1.443 340 3HG2 THR 45 3HG2 THR 45 -8.644 1.754 -0.925 341 H VAL 46 H VAL 46 -6.784 0.619 0.449 342 HA VAL 46 HA VAL 46 -5.913 3.432 0.827 343 HB VAL 46 HB VAL 46 -4.737 2.110 2.452 344 1HG1 VAL 46 1HG1 VAL 46 -3.207 0.269 1.827 345 2HG1 VAL 46 2HG1 VAL 46 -4.841 -0.139 1.266 346 3HG1 VAL 46 3HG1 VAL 46 -3.629 0.439 0.120 347 1HG2 VAL 46 1HG2 VAL 46 -2.802 2.636 0.167 348 2HG2 VAL 46 2HG2 VAL 46 -3.508 3.947 1.096 349 3HG2 VAL 46 3HG2 VAL 46 -2.511 2.758 1.927 350 H ASN 47 H ASN 47 -4.777 4.281 -0.886 351 HA ASN 47 HA ASN 47 -4.869 2.703 -3.390 352 1HB ASN 47 2HB ASN 47 -6.529 4.489 -3.422 353 2HB ASN 47 3HB ASN 47 -5.318 5.676 -2.914 354 1HD2 ASN 47 1HD2 ASN 47 -3.507 6.164 -4.449 355 2HD2 ASN 47 2HD2 ASN 47 -3.848 5.975 -6.165 356 H VAL 48 H VAL 48 -2.929 2.609 -4.518 357 HA VAL 48 HA VAL 48 -0.819 4.529 -3.809 358 HB VAL 48 HB VAL 48 -0.393 2.739 -2.241 359 1HG1 VAL 48 1HG1 VAL 48 0.225 0.474 -2.967 360 2HG1 VAL 48 2HG1 VAL 48 -1.451 0.853 -3.387 361 3HG1 VAL 48 3HG1 VAL 48 -0.189 0.898 -4.640 362 1HG2 VAL 48 1HG2 VAL 48 1.628 2.741 -4.519 363 2HG2 VAL 48 2HG2 VAL 48 1.553 3.889 -3.165 364 3HG2 VAL 48 3HG2 VAL 48 1.927 2.190 -2.860 365 H ILE 49 H ILE 49 0.426 5.106 -5.435 366 HA ILE 49 HA ILE 49 -0.306 4.124 -8.136 367 HB ILE 49 HB ILE 49 0.907 6.760 -7.252 368 1HG1 ILE 49 2HG1 ILE 49 -1.659 7.061 -8.540 369 2HG1 ILE 49 3HG1 ILE 49 -1.861 5.885 -7.242 370 1HG2 ILE 49 1HG2 ILE 49 -0.088 5.830 -9.978 371 2HG2 ILE 49 2HG2 ILE 49 0.462 7.472 -9.576 372 3HG2 ILE 49 3HG2 ILE 49 1.602 6.124 -9.520 373 1HD1 ILE 49 1HD1 ILE 49 -0.855 7.474 -5.638 374 2HD1 ILE 49 2HD1 ILE 49 -0.628 8.651 -6.962 375 3HD1 ILE 49 3HD1 ILE 49 -2.265 8.181 -6.458 376 H TYR 50 H TYR 50 1.192 2.897 -9.135 377 HA TYR 50 HA TYR 50 4.048 3.359 -8.654 378 1HB TYR 50 2HB TYR 50 4.406 0.890 -8.269 379 2HB TYR 50 3HB TYR 50 3.737 1.750 -6.916 380 HD1 TYR 50 HD1 TYR 50 2.632 -0.290 -9.940 381 HD2 TYR 50 HD2 TYR 50 1.914 0.716 -5.809 382 HE1 TYR 50 HE1 TYR 50 0.936 -2.056 -9.812 383 HE2 TYR 50 HE2 TYR 50 0.297 -1.144 -5.658 384 HH TYR 50 HH TYR 50 -0.780 -2.834 -6.788 385 H ASP 51 H ASP 51 5.413 1.947 -10.061 386 HA ASP 51 HA ASP 51 4.075 1.713 -12.682 387 1HB ASP 51 2HB ASP 51 5.929 3.289 -12.324 388 2HB ASP 51 3HB ASP 51 7.014 1.951 -12.026 389 HA PRO 52 HA PRO 52 4.586 -2.786 -11.884 390 1HB PRO 52 2HB PRO 52 3.413 -3.753 -14.098 391 2HB PRO 52 3HB PRO 52 2.485 -2.950 -12.800 392 1HG PRO 52 2HG PRO 52 3.509 -1.700 -15.367 393 2HG PRO 52 3HG PRO 52 1.838 -1.650 -14.726 394 1HD PRO 52 2HD PRO 52 3.644 0.339 -14.320 395 2HD PRO 52 3HD PRO 52 2.462 -0.088 -13.039 396 H ALA 53 H ALA 53 6.564 -0.861 -13.688 397 HA ALA 53 HA ALA 53 7.889 -3.028 -15.209 398 1HB ALA 53 1HB ALA 53 8.706 -0.161 -14.593 399 2HB ALA 53 2HB ALA 53 9.625 -1.295 -15.596 400 3HB ALA 53 3HB ALA 53 8.002 -0.765 -16.093 401 H GLU 54 H GLU 54 8.748 -0.873 -12.466 402 HA GLU 54 HA GLU 54 10.600 -2.813 -11.318 403 1HB GLU 54 2HB GLU 54 9.508 -0.107 -10.438 404 2HB GLU 54 3HB GLU 54 10.731 -1.023 -9.588 405 1HG GLU 54 2HG GLU 54 11.895 0.603 -10.882 406 2HG GLU 54 3HG GLU 54 12.162 -0.947 -11.702 407 H THR 55 H THR 55 7.328 -1.678 -10.682 408 HA THR 55 HA THR 55 7.163 -3.077 -8.097 409 HB THR 55 HB THR 55 6.595 -0.256 -8.752 410 HG1 THR 55 1HG THR 55 8.818 -1.013 -8.172 411 1HG2 THR 55 1HG2 THR 55 6.235 -0.050 -6.299 412 2HG2 THR 55 2HG2 THR 55 4.977 -0.971 -7.127 413 3HG2 THR 55 3HG2 THR 55 6.213 -1.851 -6.163 414 H GLY 56 H GLY 56 5.460 -4.174 -7.582 415 1HA GLY 56 2HA GLY 56 3.026 -2.837 -7.634 416 2HA GLY 56 3HA GLY 56 2.878 -4.207 -8.763 417 H THR 57 H THR 57 1.297 -4.801 -7.202 418 HA THR 57 HA THR 57 1.197 -5.631 -4.680 419 HB THR 57 HB THR 57 -0.707 -6.100 -5.835 420 HG1 THR 57 1HG THR 57 -0.427 -8.001 -4.688 421 1HG2 THR 57 1HG2 THR 57 0.967 -7.473 -7.987 422 2HG2 THR 57 2HG2 THR 57 -0.799 -7.535 -7.898 423 3HG2 THR 57 3HG2 THR 57 0.001 -5.980 -8.148 424 H ALA 58 H ALA 58 2.990 -7.551 -7.138 425 HA ALA 58 HA ALA 58 3.792 -9.673 -5.558 426 1HB ALA 58 1HB ALA 58 5.417 -8.168 -7.660 427 2HB ALA 58 2HB ALA 58 5.763 -9.804 -7.066 428 3HB ALA 58 3HB ALA 58 4.267 -9.487 -7.964 429 H ALA 59 H ALA 59 5.330 -6.420 -5.657 430 HA ALA 59 HA ALA 59 7.510 -7.292 -3.839 431 1HB ALA 59 1HB ALA 59 8.319 -4.974 -4.152 432 2HB ALA 59 2HB ALA 59 8.107 -5.776 -5.721 433 3HB ALA 59 3HB ALA 59 6.905 -4.595 -5.155 434 H ILE 60 H ILE 60 4.585 -5.370 -4.113 435 HA ILE 60 HA ILE 60 4.923 -3.972 -1.699 436 HB ILE 60 HB ILE 60 2.855 -4.312 -3.816 437 1HG1 ILE 60 2HG1 ILE 60 3.584 -1.897 -2.232 438 2HG1 ILE 60 3HG1 ILE 60 4.754 -2.528 -3.413 439 1HG2 ILE 60 1HG2 ILE 60 1.255 -4.643 -2.167 440 2HG2 ILE 60 2HG2 ILE 60 2.037 -3.570 -1.015 441 3HG2 ILE 60 3HG2 ILE 60 1.201 -2.910 -2.432 442 1HD1 ILE 60 1HD1 ILE 60 3.081 -2.279 -5.212 443 2HD1 ILE 60 2HD1 ILE 60 1.942 -1.559 -4.050 444 3HD1 ILE 60 3HD1 ILE 60 3.475 -0.744 -4.416 445 H GLN 61 H GLN 61 2.826 -6.848 -2.334 446 HA GLN 61 HA GLN 61 1.776 -7.189 0.264 447 1HB GLN 61 2HB GLN 61 2.432 -9.014 -2.039 448 2HB GLN 61 3HB GLN 61 2.266 -9.744 -0.448 449 1HG GLN 61 2HG GLN 61 0.207 -10.018 -1.405 450 2HG GLN 61 3HG GLN 61 0.013 -8.761 -0.185 451 1HE2 GLN 61 1HE2 GLN 61 0.735 -6.460 -1.515 452 2HE2 GLN 61 2HE2 GLN 61 -0.333 -6.207 -2.886 453 H GLU 62 H GLU 62 4.754 -8.548 -1.097 454 HA GLU 62 HA GLU 62 5.810 -9.849 1.087 455 1HB GLU 62 2HB GLU 62 6.652 -9.121 -1.504 456 2HB GLU 62 3HB GLU 62 7.789 -8.223 -0.510 457 1HG GLU 62 2HG GLU 62 7.228 -11.217 -0.325 458 2HG GLU 62 3HG GLU 62 8.546 -10.466 -1.240 459 H LYS 63 H LYS 63 6.270 -6.361 0.298 460 HA LYS 63 HA LYS 63 7.735 -6.015 2.773 461 1HB LYS 63 2HB LYS 63 7.264 -4.443 0.387 462 2HB LYS 63 3HB LYS 63 6.737 -3.511 1.785 463 1HG LYS 63 2HG LYS 63 9.067 -3.056 1.514 464 2HG LYS 63 3HG LYS 63 8.928 -4.126 2.912 465 1HD LYS 63 2HD LYS 63 9.285 -6.065 1.093 466 2HD LYS 63 3HD LYS 63 9.880 -4.768 0.074 467 1HE LYS 63 2HE LYS 63 10.947 -5.664 2.802 468 2HE LYS 63 3HE LYS 63 11.707 -5.948 1.233 469 1HZ LYS 63 1HZ LYS 63 11.306 -3.311 2.484 470 2HZ LYS 63 2HZ LYS 63 12.730 -4.126 2.382 471 3HZ LYS 63 3HZ LYS 63 12.005 -3.572 1.013 472 H ILE 64 H ILE 64 4.300 -5.550 1.834 473 HA ILE 64 HA ILE 64 3.560 -4.069 4.040 474 HB ILE 64 HB ILE 64 1.985 -6.088 2.412 475 1HG1 ILE 64 2HG1 ILE 64 2.629 -4.177 1.071 476 2HG1 ILE 64 3HG1 ILE 64 0.909 -4.163 1.399 477 1HG2 ILE 64 1HG2 ILE 64 0.675 -6.005 4.299 478 2HG2 ILE 64 2HG2 ILE 64 1.231 -4.376 4.763 479 3HG2 ILE 64 3HG2 ILE 64 0.061 -4.559 3.466 480 1HD1 ILE 64 1HD1 ILE 64 1.939 -2.692 3.480 481 2HD1 ILE 64 2HD1 ILE 64 3.073 -2.325 2.195 482 3HD1 ILE 64 3HD1 ILE 64 1.314 -2.006 1.983 483 H GLU 65 H GLU 65 3.793 -7.655 3.581 484 HA GLU 65 HA GLU 65 2.975 -8.534 6.154 485 1HB GLU 65 2HB GLU 65 4.838 -9.518 4.006 486 2HB GLU 65 3HB GLU 65 4.823 -10.343 5.567 487 1HG GLU 65 2HG GLU 65 2.209 -9.795 4.128 488 2HG GLU 65 3HG GLU 65 3.230 -11.154 3.644 489 H LYS 66 H LYS 66 6.068 -7.070 5.097 490 HA LYS 66 HA LYS 66 7.451 -7.789 7.545 491 1HB LYS 66 2HB LYS 66 8.336 -7.280 5.065 492 2HB LYS 66 3HB LYS 66 8.332 -5.625 5.671 493 1HG LYS 66 2HG LYS 66 10.437 -6.141 6.341 494 2HG LYS 66 3HG LYS 66 9.651 -6.830 7.749 495 1HD LYS 66 2HD LYS 66 10.492 -8.279 5.176 496 2HD LYS 66 3HD LYS 66 11.390 -8.331 6.687 497 1HE LYS 66 2HE LYS 66 8.565 -9.453 6.256 498 2HE LYS 66 3HE LYS 66 10.056 -10.389 6.199 499 1HZ LYS 66 1HZ LYS 66 9.072 -8.958 8.576 500 2HZ LYS 66 2HZ LYS 66 9.007 -10.577 8.317 501 3HZ LYS 66 3HZ LYS 66 10.463 -9.839 8.489 502 H LEU 67 H LEU 67 5.783 -4.940 6.185 503 HA LEU 67 HA LEU 67 6.254 -3.129 8.321 504 1HB LEU 67 2HB LEU 67 4.116 -3.473 6.191 505 2HB LEU 67 3HB LEU 67 3.795 -2.395 7.502 506 HG LEU 67 HG LEU 67 4.654 -1.317 5.500 507 1HD1 LEU 67 1HD1 LEU 67 6.567 -1.014 7.840 508 2HD1 LEU 67 2HD1 LEU 67 6.141 0.216 6.633 509 3HD1 LEU 67 3HD1 LEU 67 4.917 -0.344 7.792 510 1HD2 LEU 67 1HD2 LEU 67 7.073 -1.322 4.978 511 2HD2 LEU 67 2HD2 LEU 67 7.291 -2.727 6.036 512 3HD2 LEU 67 3HD2 LEU 67 6.252 -2.826 4.587 513 H GLY 68 H GLY 68 4.423 -6.104 8.251 514 1HA GLY 68 2HA GLY 68 3.751 -7.227 10.154 515 2HA GLY 68 3HA GLY 68 3.781 -5.736 11.107 516 H TYR 69 H TYR 69 2.229 -5.945 7.917 517 HA TYR 69 HA TYR 69 -0.485 -6.244 9.136 518 1HB TYR 69 2HB TYR 69 0.347 -4.054 7.164 519 2HB TYR 69 3HB TYR 69 -1.298 -4.383 7.691 520 HD1 TYR 69 HD1 TYR 69 -2.183 -3.164 9.517 521 HD2 TYR 69 HD2 TYR 69 2.058 -3.307 8.905 522 HE1 TYR 69 HE1 TYR 69 -1.851 -1.556 11.385 523 HE2 TYR 69 HE2 TYR 69 2.412 -1.771 10.773 524 HH TYR 69 HH TYR 69 1.383 -0.384 12.326 525 H HIS 70 H HIS 70 -2.094 -6.483 7.300 526 HA HIS 70 HA HIS 70 -0.897 -8.168 5.184 527 1HB HIS 70 2HB HIS 70 -2.820 -9.733 5.645 528 2HB HIS 70 3HB HIS 70 -1.356 -9.786 6.628 529 HD1 HIS 70 1HD HIS 70 -3.010 -7.253 8.562 530 HD2 HIS 70 2HD HIS 70 -3.527 -11.333 7.770 531 HE1 HIS 70 1HE HIS 70 -4.235 -8.211 10.547 532 H VAL 71 H VAL 71 -1.450 -7.385 3.377 533 HA VAL 71 HA VAL 71 -3.795 -5.625 3.087 534 HB VAL 71 HB VAL 71 -1.592 -4.974 2.154 535 1HG1 VAL 71 1HG1 VAL 71 -0.897 -7.243 1.322 536 2HG1 VAL 71 2HG1 VAL 71 -2.114 -7.081 0.025 537 3HG1 VAL 71 3HG1 VAL 71 -0.758 -5.939 0.130 538 1HG2 VAL 71 1HG2 VAL 71 -3.586 -3.911 1.332 539 2HG2 VAL 71 2HG2 VAL 71 -2.435 -4.166 0.014 540 3HG2 VAL 71 3HG2 VAL 71 -3.853 -5.219 0.149 541 H VAL 72 H VAL 72 -5.540 -6.100 1.757 542 HA VAL 72 HA VAL 72 -5.745 -8.884 0.716 543 HB VAL 72 HB VAL 72 -8.314 -8.297 1.426 544 1HG1 VAL 72 1HG1 VAL 72 -6.144 -9.680 3.025 545 2HG1 VAL 72 2HG1 VAL 72 -7.900 -9.912 3.265 546 3HG1 VAL 72 3HG1 VAL 72 -7.149 -10.392 1.731 547 1HG2 VAL 72 1HG2 VAL 72 -8.367 -7.566 3.755 548 2HG2 VAL 72 2HG2 VAL 72 -6.608 -7.410 3.820 549 3HG2 VAL 72 3HG2 VAL 72 -7.565 -6.290 2.833 550 H ILE 73 H ILE 73 -5.707 -8.712 -1.352 551 HA ILE 73 HA ILE 73 -7.173 -6.525 -2.754 552 HB ILE 73 HB ILE 73 -5.033 -8.349 -3.914 553 1HG1 ILE 73 2HG1 ILE 73 -4.703 -5.733 -2.433 554 2HG1 ILE 73 3HG1 ILE 73 -3.866 -7.266 -2.183 555 1HG2 ILE 73 1HG2 ILE 73 -4.983 -6.700 -5.698 556 2HG2 ILE 73 2HG2 ILE 73 -6.661 -7.154 -5.458 557 3HG2 ILE 73 3HG2 ILE 73 -6.076 -5.620 -4.797 558 1HD1 ILE 73 1HD1 ILE 73 -2.362 -5.757 -3.256 559 2HD1 ILE 73 2HD1 ILE 73 -2.816 -6.989 -4.455 560 3HD1 ILE 73 3HD1 ILE 73 -3.532 -5.350 -4.515 561 H GLU 74 H GLU 74 -9.152 -7.841 -2.145 562 HA GLU 74 HA GLU 74 -9.603 -10.030 -4.121 563 1HB GLU 74 2HB GLU 74 -10.502 -10.142 -1.655 564 2HB GLU 74 3HB GLU 74 -11.714 -8.986 -2.242 565 1HG GLU 74 2HG GLU 74 -12.084 -10.672 -4.193 566 2HG GLU 74 3HG GLU 74 -11.122 -11.809 -3.231 567 H GLY 75 H GLY 75 -10.172 -9.284 -6.097 568 1HA GLY 75 2HA GLY 75 -11.630 -8.207 -7.579 569 2HA GLY 75 3HA GLY 75 -12.036 -6.991 -6.366 570 H ARG 76 H ARG 76 -11.501 -6.264 -8.974 571 HA ARG 76 HA ARG 76 -9.655 -4.185 -8.611 572 1HB ARG 76 2HB ARG 76 -9.132 -6.256 -10.816 573 2HB ARG 76 3HB ARG 76 -8.594 -4.575 -10.868 574 1HG ARG 76 2HG ARG 76 -7.382 -5.039 -8.637 575 2HG ARG 76 3HG ARG 76 -7.648 -6.760 -8.998 576 1HD ARG 76 2HD ARG 76 -6.577 -6.377 -11.255 577 2HD ARG 76 3HD ARG 76 -6.254 -4.694 -10.754 578 HE ARG 76 HE ARG 76 -5.213 -6.590 -8.847 579 1HH1 ARG 76 2HH2 ARG 76 -4.568 -5.142 -11.991 580 2HH1 ARG 76 1HH2 ARG 76 -2.848 -5.378 -11.954 581 1HH2 ARG 76 2HH1 ARG 76 -2.928 -7.001 -8.776 582 2HH2 ARG 76 1HH1 ARG 76 -1.898 -6.483 -10.074 Start of MODEL 17 1 1H MET 1 H1 MET 1 9.718 1.681 -22.504 2 2H MET 1 H2 MET 1 10.687 2.446 -23.602 3 3H MET 1 H3 MET 1 9.217 3.084 -23.195 4 HA MET 1 HA MET 1 9.035 1.993 -25.337 5 1HB MET 1 2HB MET 1 10.012 -0.367 -23.673 6 2HB MET 1 3HB MET 1 9.249 -0.549 -25.254 7 1HG MET 1 2HG MET 1 11.071 0.393 -26.395 8 2HG MET 1 3HG MET 1 11.679 1.232 -24.968 9 1HE MET 1 1HE MET 1 11.474 -2.249 -26.799 10 2HE MET 1 2HE MET 1 12.271 -3.296 -25.603 11 3HE MET 1 3HE MET 1 10.669 -2.614 -25.248 12 H LEU 2 H LEU 2 6.866 2.639 -25.027 13 HA LEU 2 HA LEU 2 4.836 2.830 -23.919 14 1HB LEU 2 2HB LEU 2 5.121 0.290 -25.465 15 2HB LEU 2 3HB LEU 2 3.629 0.492 -24.547 16 HG LEU 2 HG LEU 2 4.542 2.834 -26.209 17 1HD1 LEU 2 1HD1 LEU 2 3.174 0.367 -27.344 18 2HD1 LEU 2 2HD1 LEU 2 3.333 1.936 -28.165 19 3HD1 LEU 2 3HD1 LEU 2 4.782 0.992 -27.778 20 1HD2 LEU 2 1HD2 LEU 2 2.544 2.940 -24.670 21 2HD2 LEU 2 2HD2 LEU 2 2.116 3.189 -26.373 22 3HD2 LEU 2 3HD2 LEU 2 1.801 1.624 -25.597 23 H SER 3 H SER 3 5.426 3.120 -21.771 24 HA SER 3 HA SER 3 4.646 0.917 -20.008 25 1HB SER 3 2HB SER 3 7.302 1.256 -20.283 26 2HB SER 3 3HB SER 3 7.003 2.646 -19.215 27 HG SER 3 HG SER 3 6.288 -0.071 -18.732 28 H GLU 4 H GLU 4 3.553 1.761 -18.192 29 HA GLU 4 HA GLU 4 3.359 4.592 -17.692 30 1HB GLU 4 2HB GLU 4 0.796 4.465 -18.025 31 2HB GLU 4 3HB GLU 4 1.805 4.774 -19.436 32 1HG GLU 4 2HG GLU 4 1.121 1.890 -18.918 33 2HG GLU 4 3HG GLU 4 -0.187 2.963 -19.411 34 H GLN 5 H GLN 5 2.413 4.929 -15.698 35 HA GLN 5 HA GLN 5 2.545 2.588 -13.949 36 1HB GLN 5 2HB GLN 5 2.517 4.173 -12.185 37 2HB GLN 5 3HB GLN 5 3.709 4.679 -13.397 38 1HG GLN 5 2HG GLN 5 1.969 6.345 -14.252 39 2HG GLN 5 3HG GLN 5 0.918 5.855 -12.915 40 1HE2 GLN 5 1HE2 GLN 5 3.576 5.508 -11.247 41 2HE2 GLN 5 2HE2 GLN 5 3.866 7.098 -10.687 42 H LYS 6 H LYS 6 0.857 2.657 -11.978 43 HA LYS 6 HA LYS 6 -1.676 3.767 -12.789 44 1HB LYS 6 2HB LYS 6 -1.320 1.237 -13.720 45 2HB LYS 6 3HB LYS 6 -1.810 0.832 -12.084 46 1HG LYS 6 2HG LYS 6 -3.625 2.855 -12.994 47 2HG LYS 6 3HG LYS 6 -3.301 1.871 -14.401 48 1HD LYS 6 2HD LYS 6 -4.276 -0.068 -13.412 49 2HD LYS 6 3HD LYS 6 -3.948 0.509 -11.781 50 1HE LYS 6 2HE LYS 6 -5.704 2.465 -12.567 51 2HE LYS 6 3HE LYS 6 -6.294 1.126 -13.552 52 1HZ LYS 6 1HZ LYS 6 -7.313 1.329 -11.341 53 2HZ LYS 6 2HZ LYS 6 -6.526 -0.119 -11.479 54 3HZ LYS 6 3HZ LYS 6 -5.845 1.122 -10.632 55 H GLU 7 H GLU 7 -3.300 3.635 -11.169 56 HA GLU 7 HA GLU 7 -2.366 3.584 -8.384 57 1HB GLU 7 2HB GLU 7 -4.787 4.233 -7.999 58 2HB GLU 7 3HB GLU 7 -3.784 5.426 -8.821 59 1HG GLU 7 2HG GLU 7 -4.799 5.008 -10.952 60 2HG GLU 7 3HG GLU 7 -5.604 3.536 -10.366 61 H ILE 8 H ILE 8 -2.602 1.774 -7.166 62 HA ILE 8 HA ILE 8 -4.795 -0.131 -7.883 63 HB ILE 8 HB ILE 8 -2.135 -0.842 -7.691 64 1HG1 ILE 8 2HG1 ILE 8 -3.061 -3.185 -7.165 65 2HG1 ILE 8 3HG1 ILE 8 -4.661 -2.430 -7.165 66 1HG2 ILE 8 1HG2 ILE 8 -2.052 -0.269 -5.292 67 2HG2 ILE 8 2HG2 ILE 8 -3.357 -1.437 -4.988 68 3HG2 ILE 8 3HG2 ILE 8 -1.798 -2.004 -5.558 69 1HD1 ILE 8 1HD1 ILE 8 -4.183 -1.608 -9.519 70 2HD1 ILE 8 2HD1 ILE 8 -2.613 -2.433 -9.441 71 3HD1 ILE 8 3HD1 ILE 8 -4.112 -3.376 -9.377 72 H ALA 9 H ALA 9 -6.004 -0.855 -5.980 73 HA ALA 9 HA ALA 9 -5.538 0.540 -3.505 74 1HB ALA 9 1HB ALA 9 -7.774 1.568 -3.359 75 2HB ALA 9 2HB ALA 9 -6.950 2.201 -4.800 76 3HB ALA 9 3HB ALA 9 -8.193 0.948 -4.970 77 H MET 10 H MET 10 -6.340 -0.540 -1.751 78 HA MET 10 HA MET 10 -8.236 -2.729 -2.092 79 1HB MET 10 2HB MET 10 -6.692 -4.509 -1.385 80 2HB MET 10 3HB MET 10 -6.291 -3.855 -2.973 81 1HG MET 10 2HG MET 10 -4.934 -2.851 -0.442 82 2HG MET 10 3HG MET 10 -4.401 -4.300 -1.298 83 1HE MET 10 1HE MET 10 -2.480 -1.866 -0.592 84 2HE MET 10 2HE MET 10 -2.342 -0.638 -1.865 85 3HE MET 10 3HE MET 10 -3.783 -0.678 -0.836 86 H GLN 11 H GLN 11 -8.278 -4.072 0.053 87 HA GLN 11 HA GLN 11 -8.586 -2.062 2.183 88 1HB GLN 11 2HB GLN 11 -9.441 -4.771 2.883 89 2HB GLN 11 3HB GLN 11 -10.200 -3.213 3.105 90 1HG GLN 11 2HG GLN 11 -11.713 -4.292 1.760 91 2HG GLN 11 3HG GLN 11 -10.819 -3.361 0.555 92 1HE2 GLN 11 1HE2 GLN 11 -9.730 -4.611 -1.083 93 2HE2 GLN 11 2HE2 GLN 11 -9.342 -6.299 -0.895 94 H VAL 12 H VAL 12 -7.649 -2.428 4.257 95 HA VAL 12 HA VAL 12 -5.442 -4.436 4.302 96 HB VAL 12 HB VAL 12 -5.080 -1.715 5.562 97 1HG1 VAL 12 1HG1 VAL 12 -3.182 -3.838 4.464 98 2HG1 VAL 12 2HG1 VAL 12 -2.706 -2.289 5.158 99 3HG1 VAL 12 3HG1 VAL 12 -3.498 -3.502 6.186 100 1HG2 VAL 12 1HG2 VAL 12 -3.786 -1.076 3.535 101 2HG2 VAL 12 2HG2 VAL 12 -4.470 -2.474 2.680 102 3HG2 VAL 12 3HG2 VAL 12 -5.544 -1.194 3.246 103 H SER 13 H SER 13 -5.059 -5.458 6.158 104 HA SER 13 HA SER 13 -7.130 -5.161 8.262 105 1HB SER 13 2HB SER 13 -6.729 -7.284 6.815 106 2HB SER 13 3HB SER 13 -5.288 -7.503 7.735 107 HG SER 13 HG SER 13 -6.982 -8.568 8.793 108 H GLY 14 H GLY 14 -6.493 -4.777 10.365 109 1HA GLY 14 2HA GLY 14 -4.926 -4.547 12.146 110 2HA GLY 14 3HA GLY 14 -3.604 -4.317 11.009 111 H MET 15 H MET 15 -6.244 -2.534 9.840 112 HA MET 15 HA MET 15 -5.415 -0.009 10.179 113 1HB MET 15 2HB MET 15 -7.252 -1.041 8.788 114 2HB MET 15 3HB MET 15 -8.312 -0.984 10.201 115 1HG MET 15 2HG MET 15 -6.860 1.352 8.931 116 2HG MET 15 3HG MET 15 -8.515 0.888 8.536 117 1HE MET 15 1HE MET 15 -10.639 1.458 10.037 118 2HE MET 15 2HE MET 15 -9.968 0.325 11.239 119 3HE MET 15 3HE MET 15 -10.505 1.947 11.736 120 H THR 16 H THR 16 -4.675 0.722 12.108 121 HA THR 16 HA THR 16 -6.448 0.766 14.498 122 HB THR 16 HB THR 16 -3.894 1.398 15.326 123 HG1 THR 16 1HG THR 16 -3.623 -0.606 13.310 124 1HG2 THR 16 1HG2 THR 16 -5.337 -0.309 16.339 125 2HG2 THR 16 2HG2 THR 16 -5.065 -1.391 14.954 126 3HG2 THR 16 3HG2 THR 16 -3.717 -0.961 16.032 127 H CYS 17 H CYS 17 -6.164 2.617 11.989 128 HA CYS 17 HA CYS 17 -6.323 4.784 11.490 129 1HB CYS 17 2HB CYS 17 -8.317 4.270 13.029 130 2HB CYS 17 3HB CYS 17 -7.484 5.252 14.251 131 HG CYS 17 HG CYS 17 -9.336 6.654 13.027 132 H ALA 18 H ALA 18 -6.164 7.013 13.684 133 HA ALA 18 HA ALA 18 -4.691 8.580 14.171 134 1HB ALA 18 1HB ALA 18 -2.716 7.943 15.479 135 2HB ALA 18 2HB ALA 18 -4.174 7.083 16.001 136 3HB ALA 18 3HB ALA 18 -2.950 6.237 15.040 137 H ALA 19 H ALA 19 -2.258 6.255 13.058 138 HA ALA 19 HA ALA 19 -1.877 7.608 10.502 139 1HB ALA 19 1HB ALA 19 0.485 8.235 10.882 140 2HB ALA 19 2HB ALA 19 -0.578 9.100 12.005 141 3HB ALA 19 3HB ALA 19 0.362 7.705 12.573 142 H CYS 20 H CYS 20 -2.443 4.835 11.705 143 HA CYS 20 HA CYS 20 0.081 3.365 11.543 144 1HB CYS 20 2HB CYS 20 -2.788 2.665 12.163 145 2HB CYS 20 3HB CYS 20 -1.704 1.375 11.638 146 HG CYS 20 HG CYS 20 -1.829 1.456 14.275 147 H ALA 21 H ALA 21 -2.977 3.192 9.725 148 HA ALA 21 HA ALA 21 -2.016 1.635 7.611 149 1HB ALA 21 1HB ALA 21 -3.971 2.463 6.375 150 2HB ALA 21 2HB ALA 21 -4.371 2.002 8.044 151 3HB ALA 21 3HB ALA 21 -4.194 3.723 7.621 152 H ALA 22 H ALA 22 -1.807 5.113 8.175 153 HA ALA 22 HA ALA 22 -0.782 5.844 5.605 154 1HB ALA 22 1HB ALA 22 -1.624 7.472 7.261 155 2HB ALA 22 2HB ALA 22 -0.294 7.080 8.356 156 3HB ALA 22 3HB ALA 22 0.051 7.844 6.787 157 H ARG 23 H ARG 23 0.899 4.755 8.656 158 HA ARG 23 HA ARG 23 3.515 4.850 7.521 159 1HB ARG 23 2HB ARG 23 2.502 2.981 9.691 160 2HB ARG 23 3HB ARG 23 4.173 3.181 9.160 161 1HG ARG 23 2HG ARG 23 3.711 5.764 9.625 162 2HG ARG 23 3HG ARG 23 2.462 5.120 10.695 163 1HD ARG 23 2HD ARG 23 5.431 4.473 10.769 164 2HD ARG 23 3HD ARG 23 4.529 5.514 11.896 165 HE ARG 23 HE ARG 23 3.336 2.906 11.792 166 1HH1 ARG 23 2HH2 ARG 23 6.180 4.567 13.028 167 2HH1 ARG 23 1HH2 ARG 23 6.432 3.512 14.384 168 1HH2 ARG 23 2HH1 ARG 23 3.638 1.440 13.567 169 2HH2 ARG 23 1HH1 ARG 23 4.942 1.676 14.685 170 H ILE 24 H ILE 24 1.057 2.232 7.494 171 HA ILE 24 HA ILE 24 2.532 0.188 6.283 172 HB ILE 24 HB ILE 24 -0.327 0.948 5.520 173 1HG1 ILE 24 2HG1 ILE 24 0.649 -0.975 7.624 174 2HG1 ILE 24 3HG1 ILE 24 -0.055 0.588 7.986 175 1HG2 ILE 24 1HG2 ILE 24 0.706 -0.606 3.944 176 2HG2 ILE 24 2HG2 ILE 24 1.071 -1.713 5.301 177 3HG2 ILE 24 3HG2 ILE 24 -0.602 -1.345 4.835 178 1HD1 ILE 24 1HD1 ILE 24 -2.107 -0.310 6.528 179 2HD1 ILE 24 2HD1 ILE 24 -1.417 -1.884 6.966 180 3HD1 ILE 24 3HD1 ILE 24 -1.939 -0.755 8.227 181 H GLU 25 H GLU 25 0.593 2.668 4.527 182 HA GLU 25 HA GLU 25 1.729 1.796 2.069 183 1HB GLU 25 2HB GLU 25 -0.488 3.369 2.812 184 2HB GLU 25 3HB GLU 25 0.558 4.478 1.925 185 1HG GLU 25 2HG GLU 25 -0.816 3.411 0.261 186 2HG GLU 25 3HG GLU 25 0.792 2.704 0.108 187 H LYS 26 H LYS 26 2.608 4.498 4.264 188 HA LYS 26 HA LYS 26 4.386 5.802 2.509 189 1HB LYS 26 2HB LYS 26 4.165 5.487 5.501 190 2HB LYS 26 3HB LYS 26 5.523 6.336 4.813 191 1HG LYS 26 2HG LYS 26 2.673 7.086 4.045 192 2HG LYS 26 3HG LYS 26 3.451 7.708 5.511 193 1HD LYS 26 2HD LYS 26 5.359 8.576 4.131 194 2HD LYS 26 3HD LYS 26 4.579 7.973 2.675 195 1HE LYS 26 2HE LYS 26 4.182 10.345 2.824 196 2HE LYS 26 3HE LYS 26 2.649 9.483 3.018 197 1HZ LYS 26 1HZ LYS 26 2.919 11.286 4.587 198 2HZ LYS 26 2HZ LYS 26 2.810 9.854 5.380 199 3HZ LYS 26 3HZ LYS 26 4.271 10.599 5.221 200 H GLY 27 H GLY 27 4.756 2.901 4.527 201 1HA GLY 27 2HA GLY 27 7.445 2.212 4.086 202 2HA GLY 27 3HA GLY 27 6.078 1.078 4.119 203 H LEU 28 H LEU 28 4.574 1.623 1.909 204 HA LEU 28 HA LEU 28 6.214 0.522 -0.188 205 1HB LEU 28 2HB LEU 28 3.434 1.699 -0.323 206 2HB LEU 28 3HB LEU 28 4.237 0.768 -1.588 207 HG LEU 28 HG LEU 28 3.583 -0.271 1.185 208 1HD1 LEU 28 1HD1 LEU 28 2.224 -0.445 -1.524 209 2HD1 LEU 28 2HD1 LEU 28 1.877 -1.582 -0.213 210 3HD1 LEU 28 3HD1 LEU 28 1.614 0.145 0.021 211 1HD2 LEU 28 1HD2 LEU 28 4.110 -2.515 -0.186 212 2HD2 LEU 28 2HD2 LEU 28 5.191 -1.448 -1.087 213 3HD2 LEU 28 3HD2 LEU 28 5.373 -1.614 0.656 214 H LYS 29 H LYS 29 5.168 3.847 0.589 215 HA LYS 29 HA LYS 29 6.117 4.966 -1.848 216 1HB LYS 29 2HB LYS 29 4.732 6.292 -0.652 217 2HB LYS 29 3HB LYS 29 5.680 6.283 0.813 218 1HG LYS 29 2HG LYS 29 7.494 7.541 -0.223 219 2HG LYS 29 3HG LYS 29 6.705 7.446 -1.800 220 1HD LYS 29 2HD LYS 29 5.727 8.995 0.640 221 2HD LYS 29 3HD LYS 29 6.464 9.639 -0.837 222 1HE LYS 29 2HE LYS 29 4.433 8.185 -1.922 223 2HE LYS 29 3HE LYS 29 3.673 8.597 -0.383 224 1HZ LYS 29 1HZ LYS 29 4.195 10.963 -0.962 225 2HZ LYS 29 2HZ LYS 29 4.671 10.438 -2.463 226 3HZ LYS 29 3HZ LYS 29 3.134 10.232 -1.960 227 H ARG 30 H ARG 30 7.994 3.454 0.656 228 HA ARG 30 HA ARG 30 10.479 4.705 -0.329 229 1HB ARG 30 2HB ARG 30 9.777 3.053 1.973 230 2HB ARG 30 3HB ARG 30 11.092 2.319 1.065 231 1HG ARG 30 2HG ARG 30 12.149 3.713 2.594 232 2HG ARG 30 3HG ARG 30 12.243 4.587 1.061 233 1HD ARG 30 2HD ARG 30 9.786 5.406 2.252 234 2HD ARG 30 3HD ARG 30 10.893 5.313 3.612 235 HE ARG 30 HE ARG 30 10.705 7.350 1.664 236 1HH1 ARG 30 2HH2 ARG 30 13.272 5.465 3.136 237 2HH1 ARG 30 1HH2 ARG 30 14.464 6.730 3.111 238 1HH2 ARG 30 2HH1 ARG 30 12.217 9.098 1.666 239 2HH2 ARG 30 1HH1 ARG 30 13.830 8.857 2.250 240 H MET 31 H MET 31 8.437 2.104 -1.478 241 HA MET 31 HA MET 31 10.613 0.416 -2.259 242 1HB MET 31 2HB MET 31 7.648 0.362 -2.897 243 2HB MET 31 3HB MET 31 8.775 -0.842 -3.511 244 1HG MET 31 2HG MET 31 8.463 -0.192 -0.558 245 2HG MET 31 3HG MET 31 7.614 -1.508 -1.366 246 1HE MET 31 1HE MET 31 10.351 -4.127 -2.060 247 2HE MET 31 2HE MET 31 8.609 -3.790 -1.969 248 3HE MET 31 3HE MET 31 9.613 -2.986 -3.203 249 HA PRO 32 HA PRO 32 11.878 2.481 -5.858 250 1HB PRO 32 2HB PRO 32 13.236 0.557 -7.222 251 2HB PRO 32 3HB PRO 32 13.780 1.167 -5.635 252 1HG PRO 32 2HG PRO 32 12.124 -1.326 -6.162 253 2HG PRO 32 3HG PRO 32 13.631 -1.206 -5.209 254 1HD PRO 32 2HD PRO 32 11.220 -1.113 -3.998 255 2HD PRO 32 3HD PRO 32 12.525 -0.006 -3.471 256 H GLY 33 H GLY 33 9.784 2.956 -6.772 257 1HA GLY 33 2HA GLY 33 9.256 2.664 -9.368 258 2HA GLY 33 3HA GLY 33 8.648 1.135 -8.826 259 H VAL 34 H VAL 34 7.982 2.685 -6.099 260 HA VAL 34 HA VAL 34 5.298 3.462 -6.698 261 HB VAL 34 HB VAL 34 6.337 2.643 -4.537 262 1HG1 VAL 34 1HG1 VAL 34 8.222 4.524 -4.818 263 2HG1 VAL 34 2HG1 VAL 34 7.059 5.527 -3.951 264 3HG1 VAL 34 3HG1 VAL 34 7.679 4.012 -3.245 265 1HG2 VAL 34 1HG2 VAL 34 4.037 3.645 -4.765 266 2HG2 VAL 34 2HG2 VAL 34 4.752 3.767 -3.162 267 3HG2 VAL 34 3HG2 VAL 34 4.706 5.194 -4.216 268 H THR 35 H THR 35 4.383 5.572 -6.592 269 HA THR 35 HA THR 35 6.252 7.889 -6.794 270 HB THR 35 HB THR 35 3.634 8.403 -8.012 271 HG1 THR 35 1HG THR 35 5.255 6.281 -8.964 272 1HG2 THR 35 1HG2 THR 35 6.467 8.349 -9.176 273 2HG2 THR 35 2HG2 THR 35 5.020 9.081 -9.916 274 3HG2 THR 35 3HG2 THR 35 5.686 9.761 -8.419 275 H ASP 36 H ASP 36 2.865 6.943 -5.881 276 HA ASP 36 HA ASP 36 3.173 8.643 -3.536 277 1HB ASP 36 2HB ASP 36 2.338 10.232 -5.243 278 2HB ASP 36 3HB ASP 36 0.914 9.205 -5.468 279 H ALA 37 H ALA 37 1.439 8.417 -1.966 280 HA ALA 37 HA ALA 37 -0.166 5.937 -2.208 281 1HB ALA 37 1HB ALA 37 0.957 4.784 -0.656 282 2HB ALA 37 2HB ALA 37 2.294 5.911 -0.865 283 3HB ALA 37 3HB ALA 37 1.113 6.182 0.429 284 H ASN 38 H ASN 38 -2.213 6.216 -1.328 285 HA ASN 38 HA ASN 38 -2.663 8.519 0.500 286 1HB ASN 38 2HB ASN 38 -3.771 8.194 -2.278 287 2HB ASN 38 3HB ASN 38 -4.836 8.816 -1.014 288 1HD2 ASN 38 1HD2 ASN 38 -2.529 9.766 -3.323 289 2HD2 ASN 38 2HD2 ASN 38 -2.049 11.266 -2.631 290 H VAL 39 H VAL 39 -3.619 7.791 2.204 291 HA VAL 39 HA VAL 39 -4.946 5.206 2.223 292 HB VAL 39 HB VAL 39 -3.250 5.981 3.896 293 1HG1 VAL 39 1HG1 VAL 39 -5.492 7.691 5.045 294 2HG1 VAL 39 2HG1 VAL 39 -3.862 7.458 5.697 295 3HG1 VAL 39 3HG1 VAL 39 -4.081 8.332 4.175 296 1HG2 VAL 39 1HG2 VAL 39 -5.959 5.028 4.833 297 2HG2 VAL 39 2HG2 VAL 39 -4.486 4.086 4.526 298 3HG2 VAL 39 3HG2 VAL 39 -4.555 5.178 5.911 299 H ASN 40 H ASN 40 -7.145 4.767 2.623 300 HA ASN 40 HA ASN 40 -8.972 7.062 2.906 301 1HB ASN 40 2HB ASN 40 -8.847 6.209 0.495 302 2HB ASN 40 3HB ASN 40 -9.513 4.682 1.072 303 1HD2 ASN 40 1HD2 ASN 40 -11.331 5.250 -0.454 304 2HD2 ASN 40 2HD2 ASN 40 -12.588 6.305 0.163 305 H LEU 41 H LEU 41 -8.470 6.153 5.171 306 HA LEU 41 HA LEU 41 -9.628 3.647 5.913 307 1HB LEU 41 2HB LEU 41 -9.113 6.091 7.662 308 2HB LEU 41 3HB LEU 41 -9.506 4.456 8.209 309 HG LEU 41 HG LEU 41 -7.010 5.406 6.788 310 1HD1 LEU 41 1HD1 LEU 41 -7.715 4.478 9.545 311 2HD1 LEU 41 2HD1 LEU 41 -6.156 3.930 8.944 312 3HD1 LEU 41 3HD1 LEU 41 -6.524 5.670 9.024 313 1HD2 LEU 41 1HD2 LEU 41 -6.279 2.939 6.959 314 2HD2 LEU 41 2HD2 LEU 41 -7.988 2.563 7.191 315 3HD2 LEU 41 3HD2 LEU 41 -7.427 3.314 5.685 316 H ALA 42 H ALA 42 -11.185 6.505 5.051 317 HA ALA 42 HA ALA 42 -13.678 6.293 6.431 318 1HB ALA 42 1HB ALA 42 -13.008 8.178 4.895 319 2HB ALA 42 2HB ALA 42 -13.183 7.057 3.525 320 3HB ALA 42 3HB ALA 42 -14.593 7.476 4.504 321 H THR 43 H THR 43 -12.102 4.249 4.083 322 HA THR 43 HA THR 43 -14.468 2.451 3.945 323 HB THR 43 HB THR 43 -12.533 3.279 1.717 324 HG1 THR 43 1HG THR 43 -14.999 4.259 2.582 325 1HG2 THR 43 1HG2 THR 43 -14.375 2.396 0.239 326 2HG2 THR 43 2HG2 THR 43 -13.454 1.160 1.101 327 3HG2 THR 43 3HG2 THR 43 -15.078 1.619 1.684 328 H GLU 44 H GLU 44 -11.891 2.581 5.642 329 HA GLU 44 HA GLU 44 -10.021 1.340 6.156 330 1HB GLU 44 2HB GLU 44 -12.071 -0.846 5.582 331 2HB GLU 44 3HB GLU 44 -10.568 -1.042 6.483 332 1HG GLU 44 2HG GLU 44 -11.986 -0.710 8.231 333 2HG GLU 44 3HG GLU 44 -11.459 0.953 7.959 334 H THR 45 H THR 45 -9.823 2.225 3.497 335 HA THR 45 HA THR 45 -8.437 -0.001 2.114 336 HB THR 45 HB THR 45 -10.583 1.894 1.059 337 HG1 THR 45 1HG THR 45 -11.325 -0.035 1.991 338 1HG2 THR 45 1HG2 THR 45 -9.026 -0.070 -0.657 339 2HG2 THR 45 2HG2 THR 45 -10.346 0.978 -1.152 340 3HG2 THR 45 3HG2 THR 45 -8.794 1.696 -0.698 341 H VAL 46 H VAL 46 -6.732 0.690 0.789 342 HA VAL 46 HA VAL 46 -6.190 3.622 0.783 343 HB VAL 46 HB VAL 46 -4.939 3.060 2.639 344 1HG1 VAL 46 1HG1 VAL 46 -3.380 1.103 2.775 345 2HG1 VAL 46 2HG1 VAL 46 -5.117 0.810 2.848 346 3HG1 VAL 46 3HG1 VAL 46 -4.212 0.443 1.345 347 1HG2 VAL 46 1HG2 VAL 46 -2.588 3.158 2.021 348 2HG2 VAL 46 2HG2 VAL 46 -2.957 2.575 0.380 349 3HG2 VAL 46 3HG2 VAL 46 -3.468 4.184 0.899 350 H ASN 47 H ASN 47 -4.773 4.301 -0.887 351 HA ASN 47 HA ASN 47 -4.546 2.329 -3.068 352 1HB ASN 47 2HB ASN 47 -5.213 3.863 -4.698 353 2HB ASN 47 3HB ASN 47 -6.372 4.138 -3.397 354 1HD2 ASN 47 1HD2 ASN 47 -3.410 5.389 -5.008 355 2HD2 ASN 47 2HD2 ASN 47 -3.652 7.044 -4.482 356 H VAL 48 H VAL 48 -2.770 2.555 -4.436 357 HA VAL 48 HA VAL 48 -0.717 4.502 -3.705 358 HB VAL 48 HB VAL 48 -0.199 2.671 -2.206 359 1HG1 VAL 48 1HG1 VAL 48 -0.103 0.924 -4.682 360 2HG1 VAL 48 2HG1 VAL 48 0.475 0.444 -3.072 361 3HG1 VAL 48 3HG1 VAL 48 -1.238 0.797 -3.326 362 1HG2 VAL 48 1HG2 VAL 48 2.118 2.219 -2.886 363 2HG2 VAL 48 2HG2 VAL 48 1.768 2.795 -4.527 364 3HG2 VAL 48 3HG2 VAL 48 1.687 3.911 -3.147 365 H ILE 49 H ILE 49 0.476 5.133 -5.336 366 HA ILE 49 HA ILE 49 -0.251 4.245 -8.073 367 HB ILE 49 HB ILE 49 0.808 6.849 -6.921 368 1HG1 ILE 49 2HG1 ILE 49 -1.662 6.534 -8.623 369 2HG1 ILE 49 3HG1 ILE 49 -1.765 6.102 -6.909 370 1HG2 ILE 49 1HG2 ILE 49 0.361 6.047 -9.836 371 2HG2 ILE 49 2HG2 ILE 49 0.655 7.708 -9.283 372 3HG2 ILE 49 3HG2 ILE 49 1.902 6.482 -9.079 373 1HD1 ILE 49 1HD1 ILE 49 -0.822 8.810 -7.914 374 2HD1 ILE 49 2HD1 ILE 49 -2.452 8.433 -7.317 375 3HD1 ILE 49 3HD1 ILE 49 -1.065 8.312 -6.224 376 H TYR 50 H TYR 50 1.249 2.955 -8.973 377 HA TYR 50 HA TYR 50 4.103 3.459 -8.536 378 1HB TYR 50 2HB TYR 50 4.512 1.006 -8.146 379 2HB TYR 50 3HB TYR 50 3.790 1.817 -6.792 380 HD1 TYR 50 HD1 TYR 50 2.846 -0.199 -9.891 381 HD2 TYR 50 HD2 TYR 50 1.917 0.741 -5.791 382 HE1 TYR 50 HE1 TYR 50 1.183 -1.992 -9.871 383 HE2 TYR 50 HE2 TYR 50 0.326 -1.148 -5.741 384 HH TYR 50 HH TYR 50 -0.615 -2.896 -6.933 385 H ASP 51 H ASP 51 5.435 2.111 -9.945 386 HA ASP 51 HA ASP 51 4.153 1.909 -12.581 387 1HB ASP 51 2HB ASP 51 6.022 3.426 -12.132 388 2HB ASP 51 3HB ASP 51 7.063 2.068 -11.780 389 HA PRO 52 HA PRO 52 4.522 -2.618 -11.852 390 1HB PRO 52 2HB PRO 52 3.196 -3.527 -13.990 391 2HB PRO 52 3HB PRO 52 2.373 -2.686 -12.646 392 1HG PRO 52 2HG PRO 52 3.301 -1.484 -15.270 393 2HG PRO 52 3HG PRO 52 1.677 -1.357 -14.530 394 1HD PRO 52 2HD PRO 52 3.595 0.553 -14.248 395 2HD PRO 52 3HD PRO 52 2.459 0.187 -12.905 396 H ALA 53 H ALA 53 6.504 -0.767 -13.697 397 HA ALA 53 HA ALA 53 7.654 -2.991 -15.305 398 1HB ALA 53 1HB ALA 53 7.774 -0.640 -16.118 399 2HB ALA 53 2HB ALA 53 8.764 -0.215 -14.707 400 3HB ALA 53 3HB ALA 53 9.373 -1.380 -15.894 401 H GLU 54 H GLU 54 8.364 -0.982 -12.504 402 HA GLU 54 HA GLU 54 10.582 -2.691 -11.537 403 1HB GLU 54 2HB GLU 54 9.372 -0.018 -10.698 404 2HB GLU 54 3HB GLU 54 10.764 -0.770 -9.930 405 1HG GLU 54 2HG GLU 54 10.775 -0.095 -12.899 406 2HG GLU 54 3HG GLU 54 11.223 1.065 -11.643 407 H THR 55 H THR 55 7.341 -1.598 -10.706 408 HA THR 55 HA THR 55 7.271 -3.086 -8.159 409 HB THR 55 HB THR 55 6.621 -0.261 -8.754 410 HG1 THR 55 1HG THR 55 8.836 -1.624 -7.990 411 1HG2 THR 55 1HG2 THR 55 6.499 -0.110 -6.253 412 2HG2 THR 55 2HG2 THR 55 5.169 -0.974 -7.041 413 3HG2 THR 55 3HG2 THR 55 6.449 -1.914 -6.193 414 H GLY 56 H GLY 56 5.540 -4.213 -7.674 415 1HA GLY 56 2HA GLY 56 3.127 -2.834 -7.675 416 2HA GLY 56 3HA GLY 56 2.966 -4.143 -8.873 417 H THR 57 H THR 57 1.388 -4.884 -7.446 418 HA THR 57 HA THR 57 1.245 -5.644 -4.885 419 HB THR 57 HB THR 57 -0.685 -6.022 -5.973 420 HG1 THR 57 1HG THR 57 -0.368 -7.970 -4.821 421 1HG2 THR 57 1HG2 THR 57 -0.984 -7.367 -8.029 422 2HG2 THR 57 2HG2 THR 57 -0.025 -5.924 -8.315 423 3HG2 THR 57 3HG2 THR 57 0.776 -7.517 -8.193 424 H ALA 58 H ALA 58 3.108 -7.531 -7.277 425 HA ALA 58 HA ALA 58 3.841 -9.695 -5.691 426 1HB ALA 58 1HB ALA 58 5.904 -9.768 -7.085 427 2HB ALA 58 2HB ALA 58 4.467 -9.462 -8.078 428 3HB ALA 58 3HB ALA 58 5.570 -8.130 -7.676 429 H ALA 59 H ALA 59 5.380 -6.437 -5.738 430 HA ALA 59 HA ALA 59 7.485 -7.323 -3.839 431 1HB ALA 59 1HB ALA 59 6.949 -4.605 -5.125 432 2HB ALA 59 2HB ALA 59 8.350 -5.057 -4.131 433 3HB ALA 59 3HB ALA 59 8.111 -5.819 -5.711 434 H ILE 60 H ILE 60 4.551 -5.411 -4.195 435 HA ILE 60 HA ILE 60 4.815 -3.995 -1.785 436 HB ILE 60 HB ILE 60 2.828 -4.299 -3.977 437 1HG1 ILE 60 2HG1 ILE 60 3.601 -1.908 -2.360 438 2HG1 ILE 60 3HG1 ILE 60 4.751 -2.581 -3.525 439 1HG2 ILE 60 1HG2 ILE 60 1.130 -2.899 -2.692 440 2HG2 ILE 60 2HG2 ILE 60 1.198 -4.613 -2.312 441 3HG2 ILE 60 3HG2 ILE 60 1.947 -3.456 -1.214 442 1HD1 ILE 60 1HD1 ILE 60 3.589 -0.741 -4.544 443 2HD1 ILE 60 2HD1 ILE 60 3.056 -2.242 -5.326 444 3HD1 ILE 60 3HD1 ILE 60 2.009 -1.428 -4.133 445 H GLN 61 H GLN 61 2.799 -6.945 -2.444 446 HA GLN 61 HA GLN 61 1.754 -7.132 0.208 447 1HB GLN 61 2HB GLN 61 2.378 -9.109 -1.983 448 2HB GLN 61 3HB GLN 61 2.122 -9.685 -0.324 449 1HG GLN 61 2HG GLN 61 0.073 -9.960 -1.288 450 2HG GLN 61 3HG GLN 61 -0.063 -8.547 -0.246 451 1HE2 GLN 61 1HE2 GLN 61 0.684 -6.442 -1.715 452 2HE2 GLN 61 2HE2 GLN 61 -0.330 -6.287 -3.140 453 H GLU 62 H GLU 62 4.719 -8.508 -1.193 454 HA GLU 62 HA GLU 62 5.750 -9.817 1.001 455 1HB GLU 62 2HB GLU 62 6.593 -9.175 -1.595 456 2HB GLU 62 3HB GLU 62 7.763 -8.276 -0.649 457 1HG GLU 62 2HG GLU 62 7.143 -11.250 -0.299 458 2HG GLU 62 3HG GLU 62 8.381 -10.609 -1.386 459 H LYS 63 H LYS 63 6.370 -6.387 0.145 460 HA LYS 63 HA LYS 63 7.813 -6.034 2.608 461 1HB LYS 63 2HB LYS 63 7.582 -4.524 0.276 462 2HB LYS 63 3HB LYS 63 6.626 -3.575 1.420 463 1HG LYS 63 2HG LYS 63 8.886 -2.801 1.598 464 2HG LYS 63 3HG LYS 63 8.548 -3.770 3.044 465 1HD LYS 63 2HD LYS 63 9.508 -5.683 1.183 466 2HD LYS 63 3HD LYS 63 10.463 -4.273 0.782 467 1HE LYS 63 2HE LYS 63 10.182 -5.555 3.549 468 2HE LYS 63 3HE LYS 63 11.548 -5.768 2.449 469 1HZ LYS 63 1HZ LYS 63 12.009 -4.109 4.117 470 2HZ LYS 63 2HZ LYS 63 12.000 -3.421 2.624 471 3HZ LYS 63 3HZ LYS 63 10.724 -3.201 3.639 472 H ILE 64 H ILE 64 4.408 -5.442 1.726 473 HA ILE 64 HA ILE 64 3.643 -3.962 3.930 474 HB ILE 64 HB ILE 64 2.151 -5.964 2.217 475 1HG1 ILE 64 2HG1 ILE 64 3.056 -3.604 1.436 476 2HG1 ILE 64 3HG1 ILE 64 1.415 -4.129 0.994 477 1HG2 ILE 64 1HG2 ILE 64 0.908 -6.058 4.194 478 2HG2 ILE 64 2HG2 ILE 64 1.176 -4.331 4.568 479 3HG2 ILE 64 3HG2 ILE 64 0.103 -4.807 3.257 480 1HD1 ILE 64 1HD1 ILE 64 0.467 -2.746 2.681 481 2HD1 ILE 64 2HD1 ILE 64 2.076 -2.469 3.429 482 3HD1 ILE 64 3HD1 ILE 64 1.674 -1.753 1.875 483 H GLU 65 H GLU 65 3.803 -7.563 3.506 484 HA GLU 65 HA GLU 65 2.843 -8.380 6.033 485 1HB GLU 65 2HB GLU 65 4.825 -9.403 4.032 486 2HB GLU 65 3HB GLU 65 4.716 -10.211 5.604 487 1HG GLU 65 2HG GLU 65 2.184 -9.664 4.028 488 2HG GLU 65 3HG GLU 65 3.222 -11.023 3.588 489 H LYS 66 H LYS 66 6.143 -7.143 5.159 490 HA LYS 66 HA LYS 66 7.111 -7.571 7.816 491 1HB LYS 66 2HB LYS 66 8.241 -7.352 5.328 492 2HB LYS 66 3HB LYS 66 8.537 -5.720 5.975 493 1HG LYS 66 2HG LYS 66 9.464 -6.809 8.069 494 2HG LYS 66 3HG LYS 66 9.100 -8.388 7.346 495 1HD LYS 66 2HD LYS 66 10.715 -7.646 5.420 496 2HD LYS 66 3HD LYS 66 11.276 -6.435 6.613 497 1HE LYS 66 2HE LYS 66 11.237 -8.514 8.249 498 2HE LYS 66 3HE LYS 66 11.260 -9.490 6.780 499 1HZ LYS 66 1HZ LYS 66 13.329 -8.404 6.163 500 2HZ LYS 66 2HZ LYS 66 13.327 -7.538 7.571 501 3HZ LYS 66 3HZ LYS 66 13.460 -9.173 7.607 502 H LEU 67 H LEU 67 5.639 -4.801 6.082 503 HA LEU 67 HA LEU 67 6.151 -2.872 8.113 504 1HB LEU 67 2HB LEU 67 3.913 -3.299 6.091 505 2HB LEU 67 3HB LEU 67 3.711 -2.129 7.338 506 HG LEU 67 HG LEU 67 4.467 -1.170 5.298 507 1HD1 LEU 67 1HD1 LEU 67 6.698 -0.938 7.349 508 2HD1 LEU 67 2HD1 LEU 67 6.116 0.315 6.247 509 3HD1 LEU 67 3HD1 LEU 67 5.080 -0.225 7.579 510 1HD2 LEU 67 1HD2 LEU 67 7.046 -2.735 5.563 511 2HD2 LEU 67 2HD2 LEU 67 5.823 -2.811 4.263 512 3HD2 LEU 67 3HD2 LEU 67 6.785 -1.352 4.484 513 H GLY 68 H GLY 68 4.279 -5.823 8.195 514 1HA GLY 68 2HA GLY 68 3.778 -6.879 10.201 515 2HA GLY 68 3HA GLY 68 3.736 -5.335 11.066 516 H TYR 69 H TYR 69 2.164 -5.881 7.914 517 HA TYR 69 HA TYR 69 -0.515 -6.109 9.205 518 1HB TYR 69 2HB TYR 69 0.190 -4.029 7.101 519 2HB TYR 69 3HB TYR 69 -1.408 -4.338 7.766 520 HD1 TYR 69 HD1 TYR 69 2.008 -3.154 8.608 521 HD2 TYR 69 HD2 TYR 69 -2.145 -3.101 9.677 522 HE1 TYR 69 HE1 TYR 69 2.480 -1.401 10.259 523 HE2 TYR 69 HE2 TYR 69 -1.726 -1.233 11.226 524 HH TYR 69 HH TYR 69 -0.072 0.065 12.309 525 H HIS 70 H HIS 70 -2.178 -6.633 7.459 526 HA HIS 70 HA HIS 70 -0.958 -8.167 5.248 527 1HB HIS 70 2HB HIS 70 -3.366 -9.430 5.890 528 2HB HIS 70 3HB HIS 70 -1.715 -10.037 5.980 529 HD1 HIS 70 1HD HIS 70 -1.986 -11.576 8.008 530 HD2 HIS 70 2HD HIS 70 -3.450 -7.689 8.569 531 HE1 HIS 70 1HE HIS 70 -2.838 -11.454 10.420 532 H VAL 71 H VAL 71 -1.614 -7.446 3.476 533 HA VAL 71 HA VAL 71 -3.950 -5.646 3.173 534 HB VAL 71 HB VAL 71 -1.533 -5.375 2.171 535 1HG1 VAL 71 1HG1 VAL 71 -1.529 -7.615 1.119 536 2HG1 VAL 71 2HG1 VAL 71 -2.733 -7.027 -0.058 537 3HG1 VAL 71 3HG1 VAL 71 -1.130 -6.267 0.029 538 1HG2 VAL 71 1HG2 VAL 71 -4.108 -4.731 0.824 539 2HG2 VAL 71 2HG2 VAL 71 -2.987 -3.695 1.731 540 3HG2 VAL 71 3HG2 VAL 71 -2.531 -4.254 0.123 541 H VAL 72 H VAL 72 -5.617 -6.149 1.506 542 HA VAL 72 HA VAL 72 -5.679 -9.026 0.662 543 HB VAL 72 HB VAL 72 -8.239 -8.638 0.986 544 1HG1 VAL 72 1HG1 VAL 72 -8.101 -9.825 3.117 545 2HG1 VAL 72 2HG1 VAL 72 -6.965 -10.478 1.921 546 3HG1 VAL 72 3HG1 VAL 72 -6.367 -9.429 3.237 547 1HG2 VAL 72 1HG2 VAL 72 -7.995 -6.350 2.015 548 2HG2 VAL 72 2HG2 VAL 72 -8.776 -7.497 3.114 549 3HG2 VAL 72 3HG2 VAL 72 -7.081 -7.065 3.378 550 H ILE 73 H ILE 73 -5.124 -8.739 -1.355 551 HA ILE 73 HA ILE 73 -6.720 -6.936 -3.124 552 HB ILE 73 HB ILE 73 -4.141 -8.450 -3.686 553 1HG1 ILE 73 2HG1 ILE 73 -4.791 -5.516 -3.215 554 2HG1 ILE 73 3HG1 ILE 73 -3.803 -6.558 -2.176 555 1HG2 ILE 73 1HG2 ILE 73 -5.610 -8.226 -5.711 556 2HG2 ILE 73 2HG2 ILE 73 -5.714 -6.480 -5.417 557 3HG2 ILE 73 3HG2 ILE 73 -4.166 -7.242 -5.839 558 1HD1 ILE 73 1HD1 ILE 73 -2.282 -5.212 -3.367 559 2HD1 ILE 73 2HD1 ILE 73 -2.235 -6.798 -4.176 560 3HD1 ILE 73 3HD1 ILE 73 -3.122 -5.441 -4.909 561 H GLU 74 H GLU 74 -8.647 -8.039 -3.275 562 HA GLU 74 HA GLU 74 -8.573 -10.322 -5.100 563 1HB GLU 74 2HB GLU 74 -8.842 -11.269 -2.747 564 2HB GLU 74 3HB GLU 74 -10.325 -10.317 -2.590 565 1HG GLU 74 2HG GLU 74 -11.241 -11.539 -4.606 566 2HG GLU 74 3HG GLU 74 -9.770 -12.532 -4.615 567 H GLY 75 H GLY 75 -10.074 -9.803 -6.728 568 1HA GLY 75 2HA GLY 75 -12.554 -8.950 -6.708 569 2HA GLY 75 3HA GLY 75 -11.800 -7.403 -6.308 570 H ARG 76 H ARG 76 -9.420 -7.611 -8.013 571 HA ARG 76 HA ARG 76 -10.379 -7.636 -10.723 572 1HB ARG 76 2HB ARG 76 -11.004 -5.375 -9.287 573 2HB ARG 76 3HB ARG 76 -9.367 -4.956 -9.746 574 1HG ARG 76 2HG ARG 76 -11.222 -5.903 -11.942 575 2HG ARG 76 3HG ARG 76 -11.654 -4.395 -11.140 576 1HD ARG 76 2HD ARG 76 -10.340 -3.847 -13.080 577 2HD ARG 76 3HD ARG 76 -9.438 -3.441 -11.624 578 HE ARG 76 HE ARG 76 -8.207 -5.561 -11.813 579 1HH1 ARG 76 2HH2 ARG 76 -9.791 -4.645 -14.853 580 2HH1 ARG 76 1HH2 ARG 76 -8.996 -5.907 -15.744 581 1HH2 ARG 76 2HH1 ARG 76 -7.387 -7.125 -12.813 582 2HH2 ARG 76 1HH1 ARG 76 -7.396 -7.335 -14.568 Start of MODEL 18 1 1H MET 1 H1 MET 1 6.473 6.147 -24.466 2 2H MET 1 H2 MET 1 6.342 7.053 -25.843 3 3H MET 1 H3 MET 1 5.069 6.140 -25.319 4 HA MET 1 HA MET 1 6.056 5.089 -27.160 5 1HB MET 1 2HB MET 1 8.562 5.567 -25.578 6 2HB MET 1 3HB MET 1 8.451 4.053 -26.489 7 1HG MET 1 2HG MET 1 8.026 5.152 -28.547 8 2HG MET 1 3HG MET 1 7.905 6.745 -27.796 9 1HE MET 1 1HE MET 1 9.878 8.312 -27.385 10 2HE MET 1 2HE MET 1 10.281 7.254 -26.005 11 3HE MET 1 3HE MET 1 11.546 7.749 -27.153 12 H LEU 2 H LEU 2 7.550 3.700 -24.147 13 HA LEU 2 HA LEU 2 5.205 1.958 -23.825 14 1HB LEU 2 2HB LEU 2 8.015 1.025 -24.542 15 2HB LEU 2 3HB LEU 2 7.062 0.105 -23.396 16 HG LEU 2 HG LEU 2 5.192 0.394 -25.389 17 1HD1 LEU 2 1HD1 LEU 2 6.292 -0.159 -27.509 18 2HD1 LEU 2 2HD1 LEU 2 6.846 1.426 -26.947 19 3HD1 LEU 2 3HD1 LEU 2 7.891 0.003 -26.758 20 1HD2 LEU 2 1HD2 LEU 2 7.269 -1.804 -25.062 21 2HD2 LEU 2 2HD2 LEU 2 5.743 -1.652 -24.162 22 3HD2 LEU 2 3HD2 LEU 2 5.711 -1.953 -25.906 23 H SER 3 H SER 3 5.359 0.757 -21.838 24 HA SER 3 HA SER 3 5.533 0.568 -19.639 25 1HB SER 3 2HB SER 3 8.062 1.196 -19.994 26 2HB SER 3 3HB SER 3 7.592 2.748 -19.271 27 HG SER 3 HG SER 3 7.014 1.616 -17.405 28 H GLU 4 H GLU 4 4.071 1.386 -18.178 29 HA GLU 4 HA GLU 4 3.646 4.219 -17.892 30 1HB GLU 4 2HB GLU 4 1.152 3.981 -18.232 31 2HB GLU 4 3HB GLU 4 2.106 4.012 -19.717 32 1HG GLU 4 2HG GLU 4 1.869 1.629 -20.033 33 2HG GLU 4 3HG GLU 4 1.164 1.421 -18.419 34 H GLN 5 H GLN 5 2.552 4.626 -15.978 35 HA GLN 5 HA GLN 5 2.716 2.432 -14.001 36 1HB GLN 5 2HB GLN 5 2.687 4.212 -12.355 37 2HB GLN 5 3HB GLN 5 3.944 4.470 -13.575 38 1HG GLN 5 2HG GLN 5 2.257 6.116 -14.686 39 2HG GLN 5 3HG GLN 5 1.289 5.938 -13.217 40 1HE2 GLN 5 1HE2 GLN 5 3.929 5.603 -11.633 41 2HE2 GLN 5 2HE2 GLN 5 4.582 7.206 -11.528 42 H LYS 6 H LYS 6 0.961 2.495 -12.222 43 HA LYS 6 HA LYS 6 -1.565 3.578 -13.122 44 1HB LYS 6 2HB LYS 6 -0.979 0.741 -13.618 45 2HB LYS 6 3HB LYS 6 -2.253 0.888 -12.406 46 1HG LYS 6 2HG LYS 6 -3.338 2.615 -13.975 47 2HG LYS 6 3HG LYS 6 -2.213 2.035 -15.219 48 1HD LYS 6 2HD LYS 6 -3.120 -0.265 -14.933 49 2HD LYS 6 3HD LYS 6 -4.185 0.314 -13.628 50 1HE LYS 6 2HE LYS 6 -5.278 1.895 -15.245 51 2HE LYS 6 3HE LYS 6 -4.266 1.242 -16.547 52 1HZ LYS 6 1HZ LYS 6 -6.438 0.254 -16.510 53 2HZ LYS 6 2HZ LYS 6 -5.306 -0.894 -16.182 54 3HZ LYS 6 3HZ LYS 6 -6.236 -0.278 -14.966 55 H GLU 7 H GLU 7 -3.272 3.258 -11.644 56 HA GLU 7 HA GLU 7 -2.497 3.530 -8.827 57 1HB GLU 7 2HB GLU 7 -4.972 4.067 -8.639 58 2HB GLU 7 3HB GLU 7 -4.007 5.215 -9.567 59 1HG GLU 7 2HG GLU 7 -4.851 4.361 -11.684 60 2HG GLU 7 3HG GLU 7 -5.707 3.043 -10.846 61 H ILE 8 H ILE 8 -2.970 1.987 -7.332 62 HA ILE 8 HA ILE 8 -4.832 -0.207 -8.075 63 HB ILE 8 HB ILE 8 -2.175 -0.638 -7.520 64 1HG1 ILE 8 2HG1 ILE 8 -2.814 -2.948 -6.795 65 2HG1 ILE 8 3HG1 ILE 8 -4.511 -2.447 -6.825 66 1HG2 ILE 8 1HG2 ILE 8 -3.535 -0.972 -4.819 67 2HG2 ILE 8 2HG2 ILE 8 -1.882 -1.413 -5.243 68 3HG2 ILE 8 3HG2 ILE 8 -2.355 0.293 -5.238 69 1HD1 ILE 8 1HD1 ILE 8 -4.348 -2.006 -9.253 70 2HD1 ILE 8 2HD1 ILE 8 -2.590 -2.249 -9.205 71 3HD1 ILE 8 3HD1 ILE 8 -3.688 -3.612 -8.918 72 H ALA 9 H ALA 9 -6.242 -0.766 -6.346 73 HA ALA 9 HA ALA 9 -6.373 0.993 -3.989 74 1HB ALA 9 1HB ALA 9 -7.746 2.177 -5.650 75 2HB ALA 9 2HB ALA 9 -8.657 0.687 -5.978 76 3HB ALA 9 3HB ALA 9 -8.761 1.463 -4.382 77 H MET 10 H MET 10 -6.605 -0.404 -2.266 78 HA MET 10 HA MET 10 -8.262 -2.819 -2.531 79 1HB MET 10 2HB MET 10 -6.405 -4.342 -2.131 80 2HB MET 10 3HB MET 10 -6.147 -3.438 -3.617 81 1HG MET 10 2HG MET 10 -4.807 -1.760 -2.041 82 2HG MET 10 3HG MET 10 -4.776 -3.178 -0.991 83 1HE MET 10 1HE MET 10 -2.415 -1.494 -1.849 84 2HE MET 10 2HE MET 10 -1.669 -3.031 -1.338 85 3HE MET 10 3HE MET 10 -1.258 -2.329 -2.905 86 H GLN 11 H GLN 11 -7.987 -4.130 -0.307 87 HA GLN 11 HA GLN 11 -8.326 -2.046 1.781 88 1HB GLN 11 2HB GLN 11 -9.369 -4.795 2.258 89 2HB GLN 11 3HB GLN 11 -9.856 -3.250 2.891 90 1HG GLN 11 2HG GLN 11 -11.635 -3.843 1.568 91 2HG GLN 11 3HG GLN 11 -10.757 -2.731 0.514 92 1HE2 GLN 11 1HE2 GLN 11 -9.688 -3.628 -1.300 93 2HE2 GLN 11 2HE2 GLN 11 -10.010 -5.222 -1.925 94 H VAL 12 H VAL 12 -7.654 -2.529 3.954 95 HA VAL 12 HA VAL 12 -5.254 -4.309 4.019 96 HB VAL 12 HB VAL 12 -5.459 -1.964 5.873 97 1HG1 VAL 12 1HG1 VAL 12 -3.150 -3.192 4.312 98 2HG1 VAL 12 2HG1 VAL 12 -3.038 -1.996 5.615 99 3HG1 VAL 12 3HG1 VAL 12 -3.560 -3.648 5.986 100 1HG2 VAL 12 1HG2 VAL 12 -4.662 -1.860 2.946 101 2HG2 VAL 12 2HG2 VAL 12 -5.907 -0.855 3.743 102 3HG2 VAL 12 3HG2 VAL 12 -4.200 -0.615 4.143 103 H SER 13 H SER 13 -4.769 -5.330 6.073 104 HA SER 13 HA SER 13 -7.092 -5.579 7.928 105 1HB SER 13 2HB SER 13 -6.525 -7.558 6.340 106 2HB SER 13 3HB SER 13 -5.063 -7.748 7.315 107 HG SER 13 HG SER 13 -6.389 -8.081 9.130 108 H GLY 14 H GLY 14 -6.553 -4.802 9.891 109 1HA GLY 14 2HA GLY 14 -5.286 -5.327 11.873 110 2HA GLY 14 3HA GLY 14 -3.781 -5.204 10.971 111 H MET 15 H MET 15 -5.156 -2.728 9.613 112 HA MET 15 HA MET 15 -3.954 -0.630 10.918 113 1HB MET 15 2HB MET 15 -5.528 0.837 9.740 114 2HB MET 15 3HB MET 15 -4.880 -0.417 8.678 115 1HG MET 15 2HG MET 15 -7.594 -0.687 10.037 116 2HG MET 15 3HG MET 15 -7.392 0.143 8.514 117 1HE MET 15 1HE MET 15 -8.996 -2.758 9.656 118 2HE MET 15 2HE MET 15 -9.518 -1.718 8.312 119 3HE MET 15 3HE MET 15 -9.189 -3.444 8.025 120 H THR 16 H THR 16 -4.399 0.776 12.607 121 HA THR 16 HA THR 16 -6.989 0.514 14.088 122 HB THR 16 HB THR 16 -5.569 1.032 16.091 123 HG1 THR 16 1HG THR 16 -3.227 0.620 15.573 124 1HG2 THR 16 1HG2 THR 16 -4.535 -1.414 14.586 125 2HG2 THR 16 2HG2 THR 16 -4.585 -1.170 16.339 126 3HG2 THR 16 3HG2 THR 16 -6.096 -1.353 15.427 127 H CYS 17 H CYS 17 -6.068 2.380 11.853 128 HA CYS 17 HA CYS 17 -6.031 4.555 11.323 129 1HB CYS 17 2HB CYS 17 -8.350 4.307 12.437 130 2HB CYS 17 3HB CYS 17 -7.671 5.226 13.786 131 HG CYS 17 HG CYS 17 -6.756 7.190 12.088 132 H ALA 18 H ALA 18 -6.163 6.584 13.864 133 HA ALA 18 HA ALA 18 -4.678 8.105 14.513 134 1HB ALA 18 1HB ALA 18 -2.821 7.291 15.895 135 2HB ALA 18 2HB ALA 18 -4.340 6.442 16.239 136 3HB ALA 18 3HB ALA 18 -3.074 5.636 15.297 137 H ALA 19 H ALA 19 -2.227 5.802 13.390 138 HA ALA 19 HA ALA 19 -1.553 7.445 11.046 139 1HB ALA 19 1HB ALA 19 0.800 7.778 11.712 140 2HB ALA 19 2HB ALA 19 -0.285 8.557 12.879 141 3HB ALA 19 3HB ALA 19 0.480 7.004 13.278 142 H CYS 20 H CYS 20 -2.375 4.511 11.908 143 HA CYS 20 HA CYS 20 0.107 3.005 11.604 144 1HB CYS 20 2HB CYS 20 -2.803 2.210 11.972 145 2HB CYS 20 3HB CYS 20 -1.567 1.035 11.471 146 HG CYS 20 HG CYS 20 -1.727 2.910 14.142 147 H ALA 21 H ALA 21 -2.918 3.067 9.652 148 HA ALA 21 HA ALA 21 -1.766 1.722 7.476 149 1HB ALA 21 1HB ALA 21 -3.740 2.330 6.263 150 2HB ALA 21 2HB ALA 21 -4.163 2.027 7.956 151 3HB ALA 21 3HB ALA 21 -4.044 3.705 7.365 152 H ALA 22 H ALA 22 -1.749 5.139 8.282 153 HA ALA 22 HA ALA 22 -0.577 6.169 5.897 154 1HB ALA 22 1HB ALA 22 -0.296 7.013 8.811 155 2HB ALA 22 2HB ALA 22 0.265 7.959 7.412 156 3HB ALA 22 3HB ALA 22 -1.467 7.622 7.630 157 H ARG 23 H ARG 23 1.009 4.885 8.919 158 HA ARG 23 HA ARG 23 3.685 5.019 7.930 159 1HB ARG 23 2HB ARG 23 2.365 3.174 9.960 160 2HB ARG 23 3HB ARG 23 4.081 3.127 9.602 161 1HG ARG 23 2HG ARG 23 2.800 5.764 10.341 162 2HG ARG 23 3HG ARG 23 3.140 4.576 11.601 163 1HD ARG 23 2HD ARG 23 5.467 4.524 11.144 164 2HD ARG 23 3HD ARG 23 5.324 5.414 9.638 165 HE ARG 23 HE ARG 23 5.461 6.462 12.346 166 1HH1 ARG 23 2HH2 ARG 23 4.144 7.115 9.165 167 2HH1 ARG 23 1HH2 ARG 23 4.167 8.851 9.303 168 1HH2 ARG 23 2HH1 ARG 23 5.481 8.772 12.620 169 2HH2 ARG 23 1HH1 ARG 23 4.938 9.810 11.344 170 H ILE 24 H ILE 24 1.288 2.352 7.773 171 HA ILE 24 HA ILE 24 2.849 0.417 6.521 172 HB ILE 24 HB ILE 24 -0.080 1.057 6.003 173 1HG1 ILE 24 2HG1 ILE 24 1.189 -1.009 7.819 174 2HG1 ILE 24 3HG1 ILE 24 0.458 0.480 8.385 175 1HG2 ILE 24 1HG2 ILE 24 -0.353 -1.184 5.144 176 2HG2 ILE 24 2HG2 ILE 24 0.856 -0.348 4.196 177 3HG2 ILE 24 3HG2 ILE 24 1.361 -1.529 5.442 178 1HD1 ILE 24 1HD1 ILE 24 -1.319 -0.967 8.673 179 2HD1 ILE 24 2HD1 ILE 24 -1.693 -0.369 7.057 180 3HD1 ILE 24 3HD1 ILE 24 -0.916 -1.937 7.238 181 H GLU 25 H GLU 25 0.751 2.864 4.817 182 HA GLU 25 HA GLU 25 1.816 1.954 2.339 183 1HB GLU 25 2HB GLU 25 -0.277 3.743 3.114 184 2HB GLU 25 3HB GLU 25 0.813 4.687 2.096 185 1HG GLU 25 2HG GLU 25 -0.578 2.055 1.479 186 2HG GLU 25 3HG GLU 25 -0.929 3.665 0.777 187 H LYS 26 H LYS 26 2.714 4.721 4.537 188 HA LYS 26 HA LYS 26 4.467 5.959 2.738 189 1HB LYS 26 2HB LYS 26 4.199 5.898 5.744 190 2HB LYS 26 3HB LYS 26 5.579 6.670 5.021 191 1HG LYS 26 2HG LYS 26 2.727 7.382 4.212 192 2HG LYS 26 3HG LYS 26 3.614 8.201 5.507 193 1HD LYS 26 2HD LYS 26 5.487 8.658 3.777 194 2HD LYS 26 3HD LYS 26 4.378 8.067 2.551 195 1HE LYS 26 2HE LYS 26 3.919 10.283 2.347 196 2HE LYS 26 3HE LYS 26 2.694 9.854 3.545 197 1HZ LYS 26 1HZ LYS 26 5.329 11.088 4.073 198 2HZ LYS 26 2HZ LYS 26 3.874 11.840 4.141 199 3HZ LYS 26 3HZ LYS 26 4.242 10.678 5.243 200 H GLY 27 H GLY 27 4.935 3.047 4.685 201 1HA GLY 27 2HA GLY 27 7.735 2.696 4.206 202 2HA GLY 27 3HA GLY 27 6.525 1.416 4.350 203 H LEU 28 H LEU 28 4.838 1.865 2.165 204 HA LEU 28 HA LEU 28 6.410 0.802 0.000 205 1HB LEU 28 2HB LEU 28 3.583 1.854 0.018 206 2HB LEU 28 3HB LEU 28 4.334 0.919 -1.266 207 HG LEU 28 HG LEU 28 3.931 -0.175 1.547 208 1HD1 LEU 28 1HD1 LEU 28 2.314 -0.219 -0.992 209 2HD1 LEU 28 2HD1 LEU 28 2.279 -1.590 0.127 210 3HD1 LEU 28 3HD1 LEU 28 1.839 0.031 0.691 211 1HD2 LEU 28 1HD2 LEU 28 4.452 -2.366 0.277 212 2HD2 LEU 28 2HD2 LEU 28 5.234 -1.340 -0.937 213 3HD2 LEU 28 3HD2 LEU 28 5.797 -1.321 0.731 214 H LYS 29 H LYS 29 5.207 4.074 0.753 215 HA LYS 29 HA LYS 29 5.925 5.298 -1.693 216 1HB LYS 29 2HB LYS 29 4.700 6.578 -0.167 217 2HB LYS 29 3HB LYS 29 5.868 6.328 1.109 218 1HG LYS 29 2HG LYS 29 6.079 8.568 0.479 219 2HG LYS 29 3HG LYS 29 7.532 7.726 -0.005 220 1HD LYS 29 2HD LYS 29 7.017 9.176 -1.764 221 2HD LYS 29 3HD LYS 29 6.556 7.582 -2.366 222 1HE LYS 29 2HE LYS 29 4.256 8.010 -2.170 223 2HE LYS 29 3HE LYS 29 4.468 9.326 -1.009 224 1HZ LYS 29 1HZ LYS 29 3.932 10.273 -3.166 225 2HZ LYS 29 2HZ LYS 29 5.466 10.676 -2.800 226 3HZ LYS 29 3HZ LYS 29 5.131 9.476 -3.874 227 H ARG 30 H ARG 30 8.103 3.755 0.586 228 HA ARG 30 HA ARG 30 10.440 5.070 -0.670 229 1HB ARG 30 2HB ARG 30 9.981 3.628 1.817 230 2HB ARG 30 3HB ARG 30 11.232 2.824 0.889 231 1HG ARG 30 2HG ARG 30 12.463 4.345 2.106 232 2HG ARG 30 3HG ARG 30 12.262 5.213 0.581 233 1HD ARG 30 2HD ARG 30 10.220 6.349 1.649 234 2HD ARG 30 3HD ARG 30 10.671 5.521 3.160 235 HE ARG 30 HE ARG 30 12.846 7.051 1.957 236 1HH1 ARG 30 2HH2 ARG 30 10.044 7.292 4.073 237 2HH1 ARG 30 1HH2 ARG 30 10.600 8.698 4.933 238 1HH2 ARG 30 2HH1 ARG 30 13.599 8.959 3.026 239 2HH2 ARG 30 1HH1 ARG 30 12.665 9.686 4.288 240 H MET 31 H MET 31 8.412 2.404 -1.537 241 HA MET 31 HA MET 31 10.523 0.626 -2.273 242 1HB MET 31 2HB MET 31 7.540 0.638 -2.806 243 2HB MET 31 3HB MET 31 8.591 -0.606 -3.467 244 1HG MET 31 2HG MET 31 8.568 0.085 -0.508 245 2HG MET 31 3HG MET 31 7.517 -1.147 -1.209 246 1HE MET 31 1HE MET 31 9.050 -2.829 -3.190 247 2HE MET 31 2HE MET 31 9.853 -4.024 -2.152 248 3HE MET 31 3HE MET 31 8.184 -3.528 -1.798 249 HA PRO 32 HA PRO 32 11.803 2.390 -6.033 250 1HB PRO 32 2HB PRO 32 12.949 0.288 -7.342 251 2HB PRO 32 3HB PRO 32 13.628 0.981 -5.842 252 1HG PRO 32 2HG PRO 32 11.814 -1.442 -6.084 253 2HG PRO 32 3HG PRO 32 13.369 -1.331 -5.208 254 1HD PRO 32 2HD PRO 32 11.023 -1.024 -3.908 255 2HD PRO 32 3HD PRO 32 12.402 0.048 -3.518 256 H GLY 33 H GLY 33 9.705 2.962 -6.885 257 1HA GLY 33 2HA GLY 33 9.100 2.732 -9.383 258 2HA GLY 33 3HA GLY 33 8.530 1.130 -8.926 259 H VAL 34 H VAL 34 7.928 2.686 -6.112 260 HA VAL 34 HA VAL 34 5.187 3.325 -6.632 261 HB VAL 34 HB VAL 34 6.310 2.693 -4.447 262 1HG1 VAL 34 1HG1 VAL 34 8.134 4.591 -4.850 263 2HG1 VAL 34 2HG1 VAL 34 6.932 5.639 -4.091 264 3HG1 VAL 34 3HG1 VAL 34 7.571 4.218 -3.238 265 1HG2 VAL 34 1HG2 VAL 34 4.742 3.942 -3.109 266 2HG2 VAL 34 2HG2 VAL 34 4.593 5.209 -4.343 267 3HG2 VAL 34 3HG2 VAL 34 3.978 3.574 -4.656 268 H THR 35 H THR 35 4.178 5.258 -6.981 269 HA THR 35 HA THR 35 5.869 7.693 -7.301 270 HB THR 35 HB THR 35 3.157 8.099 -8.235 271 HG1 THR 35 1HG THR 35 4.591 5.881 -9.265 272 1HG2 THR 35 1HG2 THR 35 5.185 9.401 -8.852 273 2HG2 THR 35 2HG2 THR 35 5.816 7.991 -9.736 274 3HG2 THR 35 3HG2 THR 35 4.308 8.794 -10.258 275 H ASP 36 H ASP 36 2.529 6.726 -6.242 276 HA ASP 36 HA ASP 36 2.854 8.514 -3.913 277 1HB ASP 36 2HB ASP 36 1.231 9.225 -6.350 278 2HB ASP 36 3HB ASP 36 0.713 9.762 -4.746 279 H ALA 37 H ALA 37 1.863 7.960 -2.221 280 HA ALA 37 HA ALA 37 -0.054 5.734 -2.196 281 1HB ALA 37 1HB ALA 37 1.993 5.862 -0.732 282 2HB ALA 37 2HB ALA 37 1.326 7.318 0.022 283 3HB ALA 37 3HB ALA 37 0.460 5.778 0.178 284 H ASN 38 H ASN 38 -2.178 5.961 -1.253 285 HA ASN 38 HA ASN 38 -2.921 8.478 0.028 286 1HB ASN 38 2HB ASN 38 -3.493 8.086 -2.777 287 2HB ASN 38 3HB ASN 38 -5.014 7.939 -1.904 288 1HD2 ASN 38 1HD2 ASN 38 -2.046 10.009 -1.691 289 2HD2 ASN 38 2HD2 ASN 38 -2.944 11.520 -1.606 290 H VAL 39 H VAL 39 -3.419 7.502 1.894 291 HA VAL 39 HA VAL 39 -4.899 4.986 1.928 292 HB VAL 39 HB VAL 39 -2.908 5.452 3.310 293 1HG1 VAL 39 1HG1 VAL 39 -4.742 7.237 4.971 294 2HG1 VAL 39 2HG1 VAL 39 -3.086 6.748 5.363 295 3HG1 VAL 39 3HG1 VAL 39 -3.383 7.809 3.978 296 1HG2 VAL 39 1HG2 VAL 39 -3.683 4.353 5.244 297 2HG2 VAL 39 2HG2 VAL 39 -5.382 4.791 4.937 298 3HG2 VAL 39 3HG2 VAL 39 -4.531 3.665 3.854 299 H ASN 40 H ASN 40 -6.982 4.601 2.668 300 HA ASN 40 HA ASN 40 -8.671 6.926 3.296 301 1HB ASN 40 2HB ASN 40 -8.714 6.292 0.808 302 2HB ASN 40 3HB ASN 40 -9.448 4.768 1.281 303 1HD2 ASN 40 1HD2 ASN 40 -11.350 5.527 -0.025 304 2HD2 ASN 40 2HD2 ASN 40 -12.493 6.594 0.768 305 H LEU 41 H LEU 41 -8.210 5.864 5.441 306 HA LEU 41 HA LEU 41 -9.419 3.339 6.039 307 1HB LEU 41 2HB LEU 41 -8.772 5.681 7.872 308 2HB LEU 41 3HB LEU 41 -9.247 4.060 8.401 309 HG LEU 41 HG LEU 41 -6.750 4.802 6.837 310 1HD1 LEU 41 1HD1 LEU 41 -7.213 3.602 9.601 311 2HD1 LEU 41 2HD1 LEU 41 -5.628 3.994 8.911 312 3HD1 LEU 41 3HD1 LEU 41 -6.774 5.299 9.260 313 1HD2 LEU 41 1HD2 LEU 41 -7.970 2.105 7.533 314 2HD2 LEU 41 2HD2 LEU 41 -7.285 2.632 5.974 315 3HD2 LEU 41 3HD2 LEU 41 -6.225 2.278 7.338 316 H ALA 42 H ALA 42 -10.897 6.324 5.391 317 HA ALA 42 HA ALA 42 -13.350 6.057 6.857 318 1HB ALA 42 1HB ALA 42 -12.924 7.143 4.044 319 2HB ALA 42 2HB ALA 42 -14.284 7.487 5.120 320 3HB ALA 42 3HB ALA 42 -12.662 8.086 5.531 321 H THR 43 H THR 43 -11.902 4.177 4.311 322 HA THR 43 HA THR 43 -14.338 2.491 4.104 323 HB THR 43 HB THR 43 -12.491 3.449 1.856 324 HG1 THR 43 1HG THR 43 -14.863 4.426 2.941 325 1HG2 THR 43 1HG2 THR 43 -14.415 2.730 0.401 326 2HG2 THR 43 2HG2 THR 43 -13.502 1.404 1.125 327 3HG2 THR 43 3HG2 THR 43 -15.083 1.865 1.811 328 H GLU 44 H GLU 44 -11.723 2.406 5.694 329 HA GLU 44 HA GLU 44 -9.852 1.105 6.044 330 1HB GLU 44 2HB GLU 44 -11.901 -1.019 5.305 331 2HB GLU 44 3HB GLU 44 -10.437 -1.251 6.257 332 1HG GLU 44 2HG GLU 44 -11.763 -0.864 8.056 333 2HG GLU 44 3HG GLU 44 -11.637 0.846 7.642 334 H THR 45 H THR 45 -9.749 2.185 3.405 335 HA THR 45 HA THR 45 -8.565 -0.020 1.799 336 HB THR 45 HB THR 45 -10.617 2.085 1.014 337 HG1 THR 45 1HG THR 45 -11.399 0.097 1.782 338 1HG2 THR 45 1HG2 THR 45 -9.063 0.291 -0.892 339 2HG2 THR 45 2HG2 THR 45 -10.468 1.281 -1.298 340 3HG2 THR 45 3HG2 THR 45 -8.960 2.067 -0.817 341 H VAL 46 H VAL 46 -6.892 0.561 0.459 342 HA VAL 46 HA VAL 46 -5.897 3.344 0.737 343 HB VAL 46 HB VAL 46 -4.823 1.945 2.358 344 1HG1 VAL 46 1HG1 VAL 46 -3.346 0.050 1.735 345 2HG1 VAL 46 2HG1 VAL 46 -5.023 -0.297 1.280 346 3HG1 VAL 46 3HG1 VAL 46 -3.851 0.185 0.044 347 1HG2 VAL 46 1HG2 VAL 46 -2.648 2.586 1.956 348 2HG2 VAL 46 2HG2 VAL 46 -2.740 2.293 0.193 349 3HG2 VAL 46 3HG2 VAL 46 -3.519 3.707 0.903 350 H ASN 47 H ASN 47 -4.868 4.176 -1.026 351 HA ASN 47 HA ASN 47 -4.953 2.545 -3.483 352 1HB ASN 47 2HB ASN 47 -6.706 4.286 -3.489 353 2HB ASN 47 3HB ASN 47 -5.500 5.526 -3.125 354 1HD2 ASN 47 1HD2 ASN 47 -3.734 5.883 -4.838 355 2HD2 ASN 47 2HD2 ASN 47 -4.226 5.605 -6.500 356 H VAL 48 H VAL 48 -3.076 2.711 -4.777 357 HA VAL 48 HA VAL 48 -1.165 4.771 -4.144 358 HB VAL 48 HB VAL 48 -0.457 3.265 -2.442 359 1HG1 VAL 48 1HG1 VAL 48 -0.259 1.136 -4.610 360 2HG1 VAL 48 2HG1 VAL 48 0.473 1.000 -3.001 361 3HG1 VAL 48 3HG1 VAL 48 -1.280 1.130 -3.140 362 1HG2 VAL 48 1HG2 VAL 48 1.320 4.471 -3.709 363 2HG2 VAL 48 2HG2 VAL 48 1.875 2.944 -3.022 364 3HG2 VAL 48 3HG2 VAL 48 1.515 3.050 -4.754 365 H ILE 49 H ILE 49 0.122 5.289 -5.773 366 HA ILE 49 HA ILE 49 -0.423 4.013 -8.389 367 HB ILE 49 HB ILE 49 0.677 6.756 -7.698 368 1HG1 ILE 49 2HG1 ILE 49 -2.037 6.156 -8.926 369 2HG1 ILE 49 3HG1 ILE 49 -1.852 6.243 -7.174 370 1HG2 ILE 49 1HG2 ILE 49 0.345 7.240 -10.113 371 2HG2 ILE 49 2HG2 ILE 49 1.443 5.877 -9.923 372 3HG2 ILE 49 3HG2 ILE 49 -0.239 5.585 -10.376 373 1HD1 ILE 49 1HD1 ILE 49 -2.619 8.367 -8.024 374 2HD1 ILE 49 2HD1 ILE 49 -1.004 8.528 -7.309 375 3HD1 ILE 49 3HD1 ILE 49 -1.202 8.516 -9.078 376 H TYR 50 H TYR 50 1.211 2.890 -9.368 377 HA TYR 50 HA TYR 50 4.013 3.418 -8.706 378 1HB TYR 50 2HB TYR 50 4.409 0.942 -8.247 379 2HB TYR 50 3HB TYR 50 3.690 1.838 -6.952 380 HD1 TYR 50 HD1 TYR 50 1.895 0.737 -5.855 381 HD2 TYR 50 HD2 TYR 50 2.641 -0.205 -10.002 382 HE1 TYR 50 HE1 TYR 50 0.334 -1.182 -5.736 383 HE2 TYR 50 HE2 TYR 50 0.937 -1.939 -9.930 384 HH TYR 50 HH TYR 50 -0.540 -3.124 -8.564 385 H ASP 51 H ASP 51 5.461 1.886 -9.971 386 HA ASP 51 HA ASP 51 4.435 1.761 -12.723 387 1HB ASP 51 2HB ASP 51 6.332 3.184 -12.044 388 2HB ASP 51 3HB ASP 51 7.261 1.779 -11.620 389 HA PRO 52 HA PRO 52 4.699 -2.785 -11.818 390 1HB PRO 52 2HB PRO 52 3.172 -3.724 -13.829 391 2HB PRO 52 3HB PRO 52 2.466 -2.825 -12.456 392 1HG PRO 52 2HG PRO 52 3.251 -1.710 -15.167 393 2HG PRO 52 3HG PRO 52 1.671 -1.545 -14.345 394 1HD PRO 52 2HD PRO 52 3.633 0.341 -14.209 395 2HD PRO 52 3HD PRO 52 2.561 0.031 -12.802 396 H ALA 53 H ALA 53 6.667 -1.069 -13.470 397 HA ALA 53 HA ALA 53 7.754 -3.157 -15.302 398 1HB ALA 53 1HB ALA 53 7.804 -0.803 -16.059 399 2HB ALA 53 2HB ALA 53 8.733 -0.348 -14.617 400 3HB ALA 53 3HB ALA 53 9.440 -1.450 -15.818 401 H GLU 54 H GLU 54 8.279 -1.358 -12.305 402 HA GLU 54 HA GLU 54 10.431 -3.221 -11.375 403 1HB GLU 54 2HB GLU 54 9.500 -0.419 -10.536 404 2HB GLU 54 3HB GLU 54 10.585 -1.419 -9.599 405 1HG GLU 54 2HG GLU 54 12.044 -1.530 -11.769 406 2HG GLU 54 3HG GLU 54 11.062 -0.153 -12.304 407 H THR 55 H THR 55 7.417 -1.631 -10.485 408 HA THR 55 HA THR 55 7.102 -3.254 -8.071 409 HB THR 55 HB THR 55 6.891 -0.326 -8.423 410 HG1 THR 55 1HG THR 55 8.958 -0.972 -7.837 411 1HG2 THR 55 1HG2 THR 55 6.548 -0.412 -5.915 412 2HG2 THR 55 2HG2 THR 55 5.176 -0.903 -6.919 413 3HG2 THR 55 3HG2 THR 55 6.156 -2.163 -6.086 414 H GLY 56 H GLY 56 5.314 -4.131 -7.533 415 1HA GLY 56 2HA GLY 56 3.046 -2.571 -7.499 416 2HA GLY 56 3HA GLY 56 2.731 -3.905 -8.647 417 H THR 57 H THR 57 1.200 -4.450 -7.050 418 HA THR 57 HA THR 57 1.123 -5.222 -4.532 419 HB THR 57 HB THR 57 -0.788 -5.439 -5.668 420 HG1 THR 57 1HG THR 57 -0.138 -8.169 -5.507 421 1HG2 THR 57 1HG2 THR 57 0.547 -7.191 -7.761 422 2HG2 THR 57 2HG2 THR 57 -1.210 -6.982 -7.591 423 3HG2 THR 57 3HG2 THR 57 -0.205 -5.590 -7.966 424 H ALA 58 H ALA 58 2.809 -7.293 -6.955 425 HA ALA 58 HA ALA 58 3.522 -9.448 -5.342 426 1HB ALA 58 1HB ALA 58 4.071 -9.311 -7.730 427 2HB ALA 58 2HB ALA 58 5.224 -7.994 -7.417 428 3HB ALA 58 3HB ALA 58 5.537 -9.618 -6.779 429 H ALA 59 H ALA 59 5.190 -6.260 -5.505 430 HA ALA 59 HA ALA 59 7.314 -7.187 -3.635 431 1HB ALA 59 1HB ALA 59 8.299 -5.008 -4.031 432 2HB ALA 59 2HB ALA 59 7.907 -5.739 -5.593 433 3HB ALA 59 3HB ALA 59 6.867 -4.459 -4.929 434 H ILE 60 H ILE 60 4.428 -5.253 -3.925 435 HA ILE 60 HA ILE 60 4.751 -3.809 -1.524 436 HB ILE 60 HB ILE 60 2.788 -4.085 -3.706 437 1HG1 ILE 60 2HG1 ILE 60 3.497 -1.725 -2.037 438 2HG1 ILE 60 3HG1 ILE 60 4.668 -2.355 -3.220 439 1HG2 ILE 60 1HG2 ILE 60 1.048 -2.743 -2.405 440 2HG2 ILE 60 2HG2 ILE 60 1.098 -4.482 -2.127 441 3HG2 ILE 60 3HG2 ILE 60 1.799 -3.383 -0.936 442 1HD1 ILE 60 1HD1 ILE 60 1.895 -1.316 -3.907 443 2HD1 ILE 60 2HD1 ILE 60 3.448 -0.514 -4.198 444 3HD1 ILE 60 3HD1 ILE 60 3.071 -2.026 -5.042 445 H GLN 61 H GLN 61 2.673 -6.739 -2.109 446 HA GLN 61 HA GLN 61 1.762 -6.991 0.558 447 1HB GLN 61 2HB GLN 61 2.340 -8.967 -1.642 448 2HB GLN 61 3HB GLN 61 2.163 -9.547 0.022 449 1HG GLN 61 2HG GLN 61 0.067 -9.831 -0.735 450 2HG GLN 61 3HG GLN 61 -0.065 -8.305 0.135 451 1HE2 GLN 61 1HE2 GLN 61 0.416 -6.308 -1.464 452 2HE2 GLN 61 2HE2 GLN 61 -0.382 -6.470 -3.032 453 H GLU 62 H GLU 62 4.743 -8.276 -0.914 454 HA GLU 62 HA GLU 62 5.902 -9.509 1.241 455 1HB GLU 62 2HB GLU 62 6.662 -8.834 -1.330 456 2HB GLU 62 3HB GLU 62 7.741 -7.781 -0.439 457 1HG GLU 62 2HG GLU 62 7.470 -10.798 0.031 458 2HG GLU 62 3HG GLU 62 8.588 -10.066 -1.133 459 H LYS 63 H LYS 63 6.315 -5.987 0.502 460 HA LYS 63 HA LYS 63 7.721 -5.649 3.009 461 1HB LYS 63 2HB LYS 63 7.074 -4.027 0.657 462 2HB LYS 63 3HB LYS 63 6.717 -3.162 2.138 463 1HG LYS 63 2HG LYS 63 9.043 -2.756 1.514 464 2HG LYS 63 3HG LYS 63 9.002 -3.695 3.001 465 1HD LYS 63 2HD LYS 63 8.993 -5.593 0.827 466 2HD LYS 63 3HD LYS 63 10.181 -4.367 0.405 467 1HE LYS 63 2HE LYS 63 11.396 -4.737 2.502 468 2HE LYS 63 3HE LYS 63 10.120 -5.825 3.091 469 1HZ LYS 63 1HZ LYS 63 11.785 -6.397 0.730 470 2HZ LYS 63 2HZ LYS 63 11.959 -7.077 2.224 471 3HZ LYS 63 3HZ LYS 63 10.611 -7.342 1.357 472 H ILE 64 H ILE 64 4.299 -5.224 2.029 473 HA ILE 64 HA ILE 64 3.411 -3.840 4.240 474 HB ILE 64 HB ILE 64 2.034 -5.853 2.471 475 1HG1 ILE 64 2HG1 ILE 64 2.825 -3.526 1.609 476 2HG1 ILE 64 3HG1 ILE 64 1.180 -4.093 1.276 477 1HG2 ILE 64 1HG2 ILE 64 -0.062 -4.845 3.452 478 2HG2 ILE 64 2HG2 ILE 64 0.810 -5.909 4.543 479 3HG2 ILE 64 3HG2 ILE 64 0.944 -4.137 4.729 480 1HD1 ILE 64 1HD1 ILE 64 1.202 -1.746 1.946 481 2HD1 ILE 64 2HD1 ILE 64 0.353 -2.679 3.139 482 3HD1 ILE 64 3HD1 ILE 64 2.055 -2.180 3.433 483 H GLU 65 H GLU 65 3.808 -7.413 3.756 484 HA GLU 65 HA GLU 65 2.888 -8.408 6.237 485 1HB GLU 65 2HB GLU 65 4.956 -9.237 4.226 486 2HB GLU 65 3HB GLU 65 4.759 -10.148 5.731 487 1HG GLU 65 2HG GLU 65 2.338 -9.506 4.016 488 2HG GLU 65 3HG GLU 65 3.406 -10.842 3.583 489 H LYS 66 H LYS 66 6.176 -7.256 5.382 490 HA LYS 66 HA LYS 66 7.237 -7.676 7.978 491 1HB LYS 66 2HB LYS 66 8.204 -7.111 5.475 492 2HB LYS 66 3HB LYS 66 8.477 -5.574 6.277 493 1HG LYS 66 2HG LYS 66 9.362 -8.355 7.234 494 2HG LYS 66 3HG LYS 66 10.416 -7.235 6.382 495 1HD LYS 66 2HD LYS 66 9.153 -6.705 9.110 496 2HD LYS 66 3HD LYS 66 10.773 -7.346 8.854 497 1HE LYS 66 2HE LYS 66 11.411 -5.303 7.579 498 2HE LYS 66 3HE LYS 66 9.805 -4.612 7.868 499 1HZ LYS 66 1HZ LYS 66 10.248 -4.615 10.195 500 2HZ LYS 66 2HZ LYS 66 11.726 -5.318 9.983 501 3HZ LYS 66 3HZ LYS 66 11.446 -3.804 9.411 502 H LEU 67 H LEU 67 5.798 -4.715 6.464 503 HA LEU 67 HA LEU 67 6.118 -2.938 8.641 504 1HB LEU 67 2HB LEU 67 4.072 -3.316 6.425 505 2HB LEU 67 3HB LEU 67 3.844 -2.097 7.635 506 HG LEU 67 HG LEU 67 5.542 -0.824 6.969 507 1HD1 LEU 67 1HD1 LEU 67 7.501 -2.278 7.055 508 2HD1 LEU 67 2HD1 LEU 67 7.049 -2.996 5.498 509 3HD1 LEU 67 3HD1 LEU 67 7.476 -1.292 5.596 510 1HD2 LEU 67 1HD2 LEU 67 4.997 -2.216 4.318 511 2HD2 LEU 67 2HD2 LEU 67 3.801 -1.197 5.137 512 3HD2 LEU 67 3HD2 LEU 67 5.336 -0.503 4.578 513 H GLY 68 H GLY 68 4.236 -5.891 8.480 514 1HA GLY 68 2HA GLY 68 3.669 -6.976 10.448 515 2HA GLY 68 3HA GLY 68 3.510 -5.444 11.316 516 H TYR 69 H TYR 69 2.085 -6.041 8.078 517 HA TYR 69 HA TYR 69 -0.629 -6.439 9.257 518 1HB TYR 69 2HB TYR 69 0.097 -4.245 7.267 519 2HB TYR 69 3HB TYR 69 -1.522 -4.627 7.841 520 HD1 TYR 69 HD1 TYR 69 1.778 -3.246 8.804 521 HD2 TYR 69 HD2 TYR 69 -2.347 -3.711 9.902 522 HE1 TYR 69 HE1 TYR 69 2.115 -1.669 10.648 523 HE2 TYR 69 HE2 TYR 69 -2.058 -2.012 11.692 524 HH TYR 69 HH TYR 69 1.126 -0.547 12.416 525 H HIS 70 H HIS 70 -2.181 -6.794 7.339 526 HA HIS 70 HA HIS 70 -0.739 -8.044 5.039 527 1HB HIS 70 2HB HIS 70 -1.360 -10.042 5.736 528 2HB HIS 70 3HB HIS 70 -2.362 -9.408 7.028 529 HD1 HIS 70 1HD HIS 70 -2.900 -9.582 3.128 530 HD2 HIS 70 2HD HIS 70 -4.800 -10.080 6.858 531 HE1 HIS 70 1HE HIS 70 -5.252 -10.333 2.642 532 H VAL 71 H VAL 71 -1.373 -7.197 3.244 533 HA VAL 71 HA VAL 71 -3.924 -5.655 3.134 534 HB VAL 71 HB VAL 71 -1.867 -4.526 2.411 535 1HG1 VAL 71 1HG1 VAL 71 -1.938 -6.438 0.037 536 2HG1 VAL 71 2HG1 VAL 71 -0.873 -5.035 0.230 537 3HG1 VAL 71 3HG1 VAL 71 -0.693 -6.423 1.316 538 1HG2 VAL 71 1HG2 VAL 71 -3.991 -3.737 1.686 539 2HG2 VAL 71 2HG2 VAL 71 -2.781 -3.511 0.444 540 3HG2 VAL 71 3HG2 VAL 71 -3.957 -4.836 0.278 541 H VAL 72 H VAL 72 -5.583 -6.159 1.664 542 HA VAL 72 HA VAL 72 -5.516 -8.983 0.600 543 HB VAL 72 HB VAL 72 -8.005 -8.442 0.107 544 1HG1 VAL 72 1HG1 VAL 72 -8.799 -9.248 2.192 545 2HG1 VAL 72 2HG1 VAL 72 -7.352 -10.151 1.715 546 3HG1 VAL 72 3HG1 VAL 72 -7.253 -8.894 2.992 547 1HG2 VAL 72 1HG2 VAL 72 -7.634 -6.538 2.431 548 2HG2 VAL 72 2HG2 VAL 72 -7.922 -6.048 0.727 549 3HG2 VAL 72 3HG2 VAL 72 -9.140 -6.985 1.617 550 H ILE 73 H ILE 73 -6.354 -9.302 -1.575 551 HA ILE 73 HA ILE 73 -6.297 -6.906 -3.351 552 HB ILE 73 HB ILE 73 -5.240 -9.697 -3.960 553 1HG1 ILE 73 2HG1 ILE 73 -3.712 -8.466 -2.435 554 2HG1 ILE 73 3HG1 ILE 73 -3.046 -8.804 -4.018 555 1HG2 ILE 73 1HG2 ILE 73 -6.172 -8.687 -5.967 556 2HG2 ILE 73 2HG2 ILE 73 -5.351 -7.152 -5.643 557 3HG2 ILE 73 3HG2 ILE 73 -4.410 -8.600 -6.062 558 1HD1 ILE 73 1HD1 ILE 73 -4.257 -6.097 -3.282 559 2HD1 ILE 73 2HD1 ILE 73 -2.548 -6.496 -3.123 560 3HD1 ILE 73 3HD1 ILE 73 -3.300 -6.494 -4.724 561 H GLU 74 H GLU 74 -8.503 -6.703 -3.139 562 HA GLU 74 HA GLU 74 -9.962 -8.409 -5.020 563 1HB GLU 74 2HB GLU 74 -10.465 -9.263 -2.619 564 2HB GLU 74 3HB GLU 74 -11.201 -7.685 -2.316 565 1HG GLU 74 2HG GLU 74 -12.685 -8.136 -4.367 566 2HG GLU 74 3HG GLU 74 -12.031 -9.786 -4.358 567 H GLY 75 H GLY 75 -10.572 -6.769 -6.505 568 1HA GLY 75 2HA GLY 75 -12.263 -4.719 -6.048 569 2HA GLY 75 3HA GLY 75 -10.745 -3.976 -5.523 570 H ARG 76 H ARG 76 -8.913 -5.056 -7.408 571 HA ARG 76 HA ARG 76 -9.784 -4.140 -10.035 572 1HB ARG 76 2HB ARG 76 -8.684 -2.160 -8.601 573 2HB ARG 76 3HB ARG 76 -7.249 -3.159 -8.676 574 1HG ARG 76 2HG ARG 76 -6.799 -1.842 -10.435 575 2HG ARG 76 3HG ARG 76 -7.666 -3.097 -11.308 576 1HD ARG 76 2HD ARG 76 -8.870 -0.433 -10.341 577 2HD ARG 76 3HD ARG 76 -8.209 -0.722 -11.929 578 HE ARG 76 HE ARG 76 -9.981 -2.004 -12.597 579 1HH1 ARG 76 2HH2 ARG 76 -10.386 -1.146 -9.207 580 2HH1 ARG 76 1HH2 ARG 76 -11.692 -2.264 -8.992 581 1HH2 ARG 76 2HH1 ARG 76 -12.103 -2.930 -12.425 582 2HH2 ARG 76 1HH1 ARG 76 -12.926 -2.892 -10.895 Start of MODEL 19 1 1H MET 1 H1 MET 1 9.993 -0.095 -23.116 2 2H MET 1 H2 MET 1 10.977 0.742 -24.163 3 3H MET 1 H3 MET 1 9.762 1.508 -23.329 4 HA MET 1 HA MET 1 9.004 1.167 -25.558 5 1HB MET 1 2HB MET 1 10.020 -1.619 -24.955 6 2HB MET 1 3HB MET 1 8.589 -1.441 -25.974 7 1HG MET 1 2HG MET 1 9.775 -0.086 -27.580 8 2HG MET 1 3HG MET 1 11.220 -0.048 -26.561 9 1HE MET 1 1HE MET 1 8.843 -2.353 -28.710 10 2HE MET 1 2HE MET 1 9.762 -3.874 -28.731 11 3HE MET 1 3HE MET 1 8.997 -3.335 -27.226 12 H LEU 2 H LEU 2 6.901 1.680 -25.179 13 HA LEU 2 HA LEU 2 4.877 1.797 -24.209 14 1HB LEU 2 2HB LEU 2 4.855 -0.027 -25.925 15 2HB LEU 2 3HB LEU 2 4.965 -1.213 -24.630 16 HG LEU 2 HG LEU 2 2.819 0.707 -24.055 17 1HD1 LEU 2 1HD1 LEU 2 2.774 1.051 -26.500 18 2HD1 LEU 2 2HD1 LEU 2 2.635 -0.705 -26.750 19 3HD1 LEU 2 3HD1 LEU 2 1.329 0.189 -25.942 20 1HD2 LEU 2 1HD2 LEU 2 2.748 -2.266 -24.732 21 2HD2 LEU 2 2HD2 LEU 2 2.937 -1.575 -23.107 22 3HD2 LEU 2 3HD2 LEU 2 1.431 -1.326 -24.000 23 H SER 3 H SER 3 5.748 2.492 -22.118 24 HA SER 3 HA SER 3 5.223 0.550 -19.919 25 1HB SER 3 2HB SER 3 7.458 2.616 -19.933 26 2HB SER 3 3HB SER 3 7.177 1.315 -18.766 27 HG SER 3 HG SER 3 7.462 -0.109 -20.716 28 H GLU 4 H GLU 4 3.913 1.467 -18.299 29 HA GLU 4 HA GLU 4 3.761 4.298 -17.923 30 1HB GLU 4 2HB GLU 4 1.309 4.458 -18.314 31 2HB GLU 4 3HB GLU 4 2.214 4.195 -19.808 32 1HG GLU 4 2HG GLU 4 1.588 1.791 -19.770 33 2HG GLU 4 3HG GLU 4 0.688 2.052 -18.264 34 H GLN 5 H GLN 5 2.539 4.730 -16.005 35 HA GLN 5 HA GLN 5 2.678 2.467 -14.096 36 1HB GLN 5 2HB GLN 5 2.779 4.153 -12.396 37 2HB GLN 5 3HB GLN 5 4.030 4.442 -13.621 38 1HG GLN 5 2HG GLN 5 2.548 6.253 -14.588 39 2HG GLN 5 3HG GLN 5 1.380 5.939 -13.296 40 1HE2 GLN 5 1HE2 GLN 5 4.124 5.396 -11.637 41 2HE2 GLN 5 2HE2 GLN 5 4.359 6.995 -11.008 42 H LYS 6 H LYS 6 0.995 2.575 -12.232 43 HA LYS 6 HA LYS 6 -1.538 3.747 -13.017 44 1HB LYS 6 2HB LYS 6 -0.995 0.891 -13.534 45 2HB LYS 6 3HB LYS 6 -2.286 1.084 -12.344 46 1HG LYS 6 2HG LYS 6 -3.375 2.738 -13.842 47 2HG LYS 6 3HG LYS 6 -2.180 2.377 -15.099 48 1HD LYS 6 2HD LYS 6 -2.874 0.090 -15.269 49 2HD LYS 6 3HD LYS 6 -3.899 0.180 -13.833 50 1HE LYS 6 2HE LYS 6 -4.380 1.858 -16.347 51 2HE LYS 6 3HE LYS 6 -5.091 0.257 -16.110 52 1HZ LYS 6 1HZ LYS 6 -6.578 2.021 -15.444 53 2HZ LYS 6 2HZ LYS 6 -6.210 1.053 -14.169 54 3HZ LYS 6 3HZ LYS 6 -5.525 2.541 -14.296 55 H GLU 7 H GLU 7 -3.172 3.527 -11.450 56 HA GLU 7 HA GLU 7 -2.241 3.512 -8.666 57 1HB GLU 7 2HB GLU 7 -4.528 4.309 -8.207 58 2HB GLU 7 3HB GLU 7 -3.619 5.377 -9.282 59 1HG GLU 7 2HG GLU 7 -4.850 4.567 -11.238 60 2HG GLU 7 3HG GLU 7 -5.710 3.378 -10.230 61 H ILE 8 H ILE 8 -2.915 2.014 -7.193 62 HA ILE 8 HA ILE 8 -4.885 -0.042 -8.025 63 HB ILE 8 HB ILE 8 -2.209 -0.624 -7.553 64 1HG1 ILE 8 2HG1 ILE 8 -3.016 -2.988 -7.133 65 2HG1 ILE 8 3HG1 ILE 8 -4.667 -2.363 -7.166 66 1HG2 ILE 8 1HG2 ILE 8 -1.981 -1.723 -5.411 67 2HG2 ILE 8 2HG2 ILE 8 -2.348 -0.011 -5.176 68 3HG2 ILE 8 3HG2 ILE 8 -3.609 -1.250 -4.931 69 1HD1 ILE 8 1HD1 ILE 8 -4.627 -2.254 -9.454 70 2HD1 ILE 8 2HD1 ILE 8 -3.053 -1.433 -9.478 71 3HD1 ILE 8 3HD1 ILE 8 -3.123 -3.196 -9.357 72 H ALA 9 H ALA 9 -6.225 -0.674 -6.202 73 HA ALA 9 HA ALA 9 -5.999 0.869 -3.722 74 1HB ALA 9 1HB ALA 9 -8.541 0.873 -5.397 75 2HB ALA 9 2HB ALA 9 -8.348 1.560 -3.769 76 3HB ALA 9 3HB ALA 9 -7.475 2.272 -5.142 77 H MET 10 H MET 10 -6.389 -0.460 -1.998 78 HA MET 10 HA MET 10 -8.222 -2.723 -2.225 79 1HB MET 10 2HB MET 10 -6.517 -4.400 -1.738 80 2HB MET 10 3HB MET 10 -6.182 -3.627 -3.287 81 1HG MET 10 2HG MET 10 -4.575 -2.072 -2.121 82 2HG MET 10 3HG MET 10 -4.864 -3.007 -0.640 83 1HE MET 10 1HE MET 10 -1.957 -2.496 -1.305 84 2HE MET 10 2HE MET 10 -1.184 -3.535 -2.530 85 3HE MET 10 3HE MET 10 -2.288 -2.240 -3.034 86 H GLN 11 H GLN 11 -7.982 -4.056 -0.093 87 HA GLN 11 HA GLN 11 -8.171 -2.090 2.120 88 1HB GLN 11 2HB GLN 11 -9.335 -4.891 2.001 89 2HB GLN 11 3HB GLN 11 -9.555 -3.690 3.257 90 1HG GLN 11 2HG GLN 11 -11.530 -3.759 1.867 91 2HG GLN 11 3HG GLN 11 -10.731 -2.191 1.719 92 1HE2 GLN 11 1HE2 GLN 11 -9.929 -5.352 0.124 93 2HE2 GLN 11 2HE2 GLN 11 -10.201 -4.715 -1.499 94 H VAL 12 H VAL 12 -7.322 -2.523 4.124 95 HA VAL 12 HA VAL 12 -5.075 -4.471 4.179 96 HB VAL 12 HB VAL 12 -4.899 -1.976 5.810 97 1HG1 VAL 12 1HG1 VAL 12 -2.903 -3.478 4.109 98 2HG1 VAL 12 2HG1 VAL 12 -2.554 -2.144 5.220 99 3HG1 VAL 12 3HG1 VAL 12 -3.118 -3.697 5.866 100 1HG2 VAL 12 1HG2 VAL 12 -4.520 -2.039 2.801 101 2HG2 VAL 12 2HG2 VAL 12 -5.606 -0.960 3.717 102 3HG2 VAL 12 3HG2 VAL 12 -3.856 -0.777 3.878 103 H SER 13 H SER 13 -4.473 -5.241 6.339 104 HA SER 13 HA SER 13 -6.766 -5.254 8.257 105 1HB SER 13 2HB SER 13 -6.314 -7.330 6.799 106 2HB SER 13 3HB SER 13 -4.823 -7.509 7.748 107 HG SER 13 HG SER 13 -6.746 -8.642 8.549 108 H GLY 14 H GLY 14 -6.221 -4.611 10.248 109 1HA GLY 14 2HA GLY 14 -4.852 -4.908 12.180 110 2HA GLY 14 3HA GLY 14 -3.390 -4.790 11.211 111 H MET 15 H MET 15 -5.229 -2.374 9.887 112 HA MET 15 HA MET 15 -3.868 -0.278 11.235 113 1HB MET 15 2HB MET 15 -5.422 1.246 10.112 114 2HB MET 15 3HB MET 15 -4.606 0.127 9.021 115 1HG MET 15 2HG MET 15 -7.390 -0.638 9.918 116 2HG MET 15 3HG MET 15 -7.193 0.720 8.845 117 1HE MET 15 1HE MET 15 -8.020 0.077 6.561 118 2HE MET 15 2HE MET 15 -8.241 -1.627 6.121 119 3HE MET 15 3HE MET 15 -8.927 -1.011 7.649 120 H THR 16 H THR 16 -4.149 0.232 13.299 121 HA THR 16 HA THR 16 -6.325 -0.477 14.894 122 HB THR 16 HB THR 16 -4.120 0.157 15.708 123 HG1 THR 16 1HG THR 16 -4.855 1.215 17.526 124 1HG2 THR 16 1HG2 THR 16 -3.327 2.397 15.810 125 2HG2 THR 16 2HG2 THR 16 -3.919 2.191 14.146 126 3HG2 THR 16 3HG2 THR 16 -4.900 3.068 15.339 127 H CYS 17 H CYS 17 -5.852 2.472 12.969 128 HA CYS 17 HA CYS 17 -8.194 3.161 12.006 129 1HB CYS 17 2HB CYS 17 -9.520 2.945 13.962 130 2HB CYS 17 3HB CYS 17 -8.270 3.839 14.924 131 HG CYS 17 HG CYS 17 -10.531 5.199 14.671 132 H ALA 18 H ALA 18 -5.868 4.566 14.305 133 HA ALA 18 HA ALA 18 -5.965 7.235 13.287 134 1HB ALA 18 1HB ALA 18 -3.719 5.832 14.802 135 2HB ALA 18 2HB ALA 18 -4.003 7.586 14.712 136 3HB ALA 18 3HB ALA 18 -5.161 6.551 15.551 137 H ALA 19 H ALA 19 -3.192 7.860 12.866 138 HA ALA 19 HA ALA 19 -2.980 7.314 10.053 139 1HB ALA 19 1HB ALA 19 -1.022 8.775 10.181 140 2HB ALA 19 2HB ALA 19 -2.364 9.460 11.112 141 3HB ALA 19 3HB ALA 19 -1.020 8.656 11.954 142 H CYS 20 H CYS 20 -2.905 4.854 11.296 143 HA CYS 20 HA CYS 20 -0.199 3.743 11.446 144 1HB CYS 20 2HB CYS 20 -3.033 2.737 11.893 145 2HB CYS 20 3HB CYS 20 -1.775 1.571 11.384 146 HG CYS 20 HG CYS 20 -1.515 3.769 13.812 147 H ALA 21 H ALA 21 -3.090 3.255 9.328 148 HA ALA 21 HA ALA 21 -1.664 1.777 7.450 149 1HB ALA 21 1HB ALA 21 -4.047 1.717 7.464 150 2HB ALA 21 2HB ALA 21 -4.153 3.445 7.062 151 3HB ALA 21 3HB ALA 21 -3.526 2.280 5.870 152 H ALA 22 H ALA 22 -1.980 5.258 7.748 153 HA ALA 22 HA ALA 22 -0.741 6.105 5.357 154 1HB ALA 22 1HB ALA 22 -1.743 7.647 6.999 155 2HB ALA 22 2HB ALA 22 -0.542 7.179 8.210 156 3HB ALA 22 3HB ALA 22 -0.034 8.069 6.753 157 H ARG 23 H ARG 23 0.750 4.903 8.419 158 HA ARG 23 HA ARG 23 3.486 5.379 7.557 159 1HB ARG 23 2HB ARG 23 2.328 3.574 9.728 160 2HB ARG 23 3HB ARG 23 4.043 3.835 9.466 161 1HG ARG 23 2HG ARG 23 2.151 6.160 9.914 162 2HG ARG 23 3HG ARG 23 2.814 5.257 11.272 163 1HD ARG 23 2HD ARG 23 4.904 6.063 11.034 164 2HD ARG 23 3HD ARG 23 4.849 6.110 9.262 165 HE ARG 23 HE ARG 23 3.073 8.070 10.004 166 1HH1 ARG 23 2HH2 ARG 23 6.472 7.455 10.697 167 2HH1 ARG 23 1HH2 ARG 23 6.931 9.125 10.799 168 1HH2 ARG 23 2HH1 ARG 23 3.642 10.306 10.080 169 2HH2 ARG 23 1HH1 ARG 23 5.272 10.788 10.412 170 H ILE 24 H ILE 24 1.290 2.559 7.613 171 HA ILE 24 HA ILE 24 3.027 0.618 6.567 172 HB ILE 24 HB ILE 24 0.116 0.993 5.777 173 1HG1 ILE 24 2HG1 ILE 24 1.235 -0.639 8.064 174 2HG1 ILE 24 3HG1 ILE 24 0.341 0.863 8.250 175 1HG2 ILE 24 1HG2 ILE 24 1.699 -1.564 5.791 176 2HG2 ILE 24 2HG2 ILE 24 0.047 -1.303 5.198 177 3HG2 ILE 24 3HG2 ILE 24 1.386 -0.558 4.349 178 1HD1 ILE 24 1HD1 ILE 24 -1.565 -0.307 6.879 179 2HD1 ILE 24 2HD1 ILE 24 -0.722 -1.797 7.287 180 3HD1 ILE 24 3HD1 ILE 24 -1.330 -0.737 8.577 181 H GLU 25 H GLU 25 0.818 2.783 4.686 182 HA GLU 25 HA GLU 25 1.915 1.844 2.276 183 1HB GLU 25 2HB GLU 25 -0.339 3.276 2.949 184 2HB GLU 25 3HB GLU 25 0.645 4.547 2.241 185 1HG GLU 25 2HG GLU 25 -0.627 3.582 0.417 186 2HG GLU 25 3HG GLU 25 1.033 3.021 0.217 187 H LYS 26 H LYS 26 2.705 4.756 4.271 188 HA LYS 26 HA LYS 26 4.465 5.965 2.414 189 1HB LYS 26 2HB LYS 26 4.170 5.965 5.422 190 2HB LYS 26 3HB LYS 26 5.596 6.666 4.720 191 1HG LYS 26 2HG LYS 26 2.791 7.501 3.864 192 2HG LYS 26 3HG LYS 26 3.702 8.272 5.171 193 1HD LYS 26 2HD LYS 26 5.621 8.632 3.460 194 2HD LYS 26 3HD LYS 26 4.493 8.090 2.225 195 1HE LYS 26 2HE LYS 26 4.446 10.454 2.142 196 2HE LYS 26 3HE LYS 26 2.920 9.958 2.885 197 1HZ LYS 26 1HZ LYS 26 3.888 10.514 5.026 198 2HZ LYS 26 2HZ LYS 26 5.315 10.937 4.317 199 3HZ LYS 26 3HZ LYS 26 3.956 11.807 4.016 200 H GLY 27 H GLY 27 4.923 3.175 4.582 201 1HA GLY 27 2HA GLY 27 7.713 2.787 4.099 202 2HA GLY 27 3HA GLY 27 6.525 1.521 4.406 203 H LEU 28 H LEU 28 4.771 1.833 2.157 204 HA LEU 28 HA LEU 28 6.364 0.609 0.071 205 1HB LEU 28 2HB LEU 28 3.571 1.761 -0.060 206 2HB LEU 28 3HB LEU 28 4.343 0.781 -1.295 207 HG LEU 28 HG LEU 28 3.882 -0.281 1.516 208 1HD1 LEU 28 1HD1 LEU 28 1.797 0.072 0.631 209 2HD1 LEU 28 2HD1 LEU 28 2.235 -0.343 -1.023 210 3HD1 LEU 28 3HD1 LEU 28 2.115 -1.607 0.215 211 1HD2 LEU 28 1HD2 LEU 28 5.659 -1.524 0.756 212 2HD2 LEU 28 2HD2 LEU 28 4.298 -2.482 0.178 213 3HD2 LEU 28 3HD2 LEU 28 5.205 -1.444 -0.941 214 H LYS 29 H LYS 29 5.330 3.970 0.680 215 HA LYS 29 HA LYS 29 6.105 4.942 -1.875 216 1HB LYS 29 2HB LYS 29 4.826 6.349 -0.530 217 2HB LYS 29 3HB LYS 29 6.031 6.387 0.758 218 1HG LYS 29 2HG LYS 29 7.598 7.634 -0.526 219 2HG LYS 29 3HG LYS 29 6.709 7.386 -2.035 220 1HD LYS 29 2HD LYS 29 5.576 8.907 0.332 221 2HD LYS 29 3HD LYS 29 6.543 9.685 -0.916 222 1HE LYS 29 2HE LYS 29 4.305 8.012 -1.980 223 2HE LYS 29 3HE LYS 29 3.777 9.354 -0.967 224 1HZ LYS 29 1HZ LYS 29 5.211 9.509 -3.513 225 2HZ LYS 29 2HZ LYS 29 3.889 10.301 -3.061 226 3HZ LYS 29 3HZ LYS 29 5.310 10.778 -2.450 227 H ARG 30 H ARG 30 8.144 3.577 0.601 228 HA ARG 30 HA ARG 30 10.576 4.757 -0.573 229 1HB ARG 30 2HB ARG 30 9.956 3.068 1.790 230 2HB ARG 30 3HB ARG 30 11.370 2.563 0.924 231 1HG ARG 30 2HG ARG 30 12.311 4.031 2.346 232 2HG ARG 30 3HG ARG 30 12.030 5.144 1.021 233 1HD ARG 30 2HD ARG 30 9.966 5.962 2.065 234 2HD ARG 30 3HD ARG 30 10.064 4.778 3.357 235 HE ARG 30 HE ARG 30 11.433 7.308 3.185 236 1HH1 ARG 30 2HH2 ARG 30 11.811 4.036 4.411 237 2HH1 ARG 30 1HH2 ARG 30 12.980 4.431 5.635 238 1HH2 ARG 30 2HH1 ARG 30 12.992 7.902 4.808 239 2HH2 ARG 30 1HH1 ARG 30 13.652 6.696 5.862 240 H MET 31 H MET 31 8.492 2.126 -1.563 241 HA MET 31 HA MET 31 10.664 0.454 -2.417 242 1HB MET 31 2HB MET 31 7.677 0.352 -2.672 243 2HB MET 31 3HB MET 31 8.638 -0.679 -3.715 244 1HG MET 31 2HG MET 31 7.802 -1.565 -1.416 245 2HG MET 31 3HG MET 31 9.375 -2.022 -2.040 246 1HE MET 31 1HE MET 31 11.038 -2.545 -0.352 247 2HE MET 31 2HE MET 31 11.685 -1.098 -1.150 248 3HE MET 31 3HE MET 31 11.781 -1.251 0.616 249 HA PRO 32 HA PRO 32 11.823 2.408 -6.138 250 1HB PRO 32 2HB PRO 32 12.923 0.317 -7.561 251 2HB PRO 32 3HB PRO 32 13.686 1.028 -6.113 252 1HG PRO 32 2HG PRO 32 11.922 -1.440 -6.251 253 2HG PRO 32 3HG PRO 32 13.518 -1.282 -5.463 254 1HD PRO 32 2HD PRO 32 11.244 -1.064 -4.040 255 2HD PRO 32 3HD PRO 32 12.601 0.060 -3.714 256 H GLY 33 H GLY 33 9.780 3.043 -7.108 257 1HA GLY 33 2HA GLY 33 9.090 2.607 -9.568 258 2HA GLY 33 3HA GLY 33 8.485 1.083 -8.944 259 H VAL 34 H VAL 34 8.004 2.729 -6.264 260 HA VAL 34 HA VAL 34 5.249 3.402 -6.763 261 HB VAL 34 HB VAL 34 6.339 2.566 -4.642 262 1HG1 VAL 34 1HG1 VAL 34 7.035 5.442 -4.011 263 2HG1 VAL 34 2HG1 VAL 34 7.654 3.914 -3.328 264 3HG1 VAL 34 3HG1 VAL 34 8.203 4.464 -4.894 265 1HG2 VAL 34 1HG2 VAL 34 4.691 5.097 -4.269 266 2HG2 VAL 34 2HG2 VAL 34 4.030 3.533 -4.788 267 3HG2 VAL 34 3HG2 VAL 34 4.790 3.679 -3.204 268 H THR 35 H THR 35 4.262 5.408 -6.804 269 HA THR 35 HA THR 35 6.025 7.818 -7.027 270 HB THR 35 HB THR 35 3.373 8.398 -7.975 271 HG1 THR 35 1HG THR 35 4.559 6.058 -9.036 272 1HG2 THR 35 1HG2 THR 35 6.031 8.147 -9.440 273 2HG2 THR 35 2HG2 THR 35 4.570 8.970 -10.040 274 3HG2 THR 35 3HG2 THR 35 5.407 9.592 -8.609 275 H ASP 36 H ASP 36 2.674 6.828 -6.080 276 HA ASP 36 HA ASP 36 2.903 8.574 -3.700 277 1HB ASP 36 2HB ASP 36 1.236 9.165 -6.148 278 2HB ASP 36 3HB ASP 36 0.715 9.708 -4.546 279 H ALA 37 H ALA 37 1.721 8.122 -2.034 280 HA ALA 37 HA ALA 37 -0.135 5.790 -2.171 281 1HB ALA 37 1HB ALA 37 1.782 6.760 -0.008 282 2HB ALA 37 2HB ALA 37 0.559 5.502 0.200 283 3HB ALA 37 3HB ALA 37 1.896 5.249 -0.943 284 H ASN 38 H ASN 38 -2.173 6.127 -1.308 285 HA ASN 38 HA ASN 38 -2.746 8.608 0.222 286 1HB ASN 38 2HB ASN 38 -3.913 7.821 -2.450 287 2HB ASN 38 3HB ASN 38 -4.890 8.695 -1.264 288 1HD2 ASN 38 1HD2 ASN 38 -2.362 9.017 -3.654 289 2HD2 ASN 38 2HD2 ASN 38 -2.103 10.732 -3.388 290 H VAL 39 H VAL 39 -3.516 7.861 2.042 291 HA VAL 39 HA VAL 39 -4.774 5.230 2.253 292 HB VAL 39 HB VAL 39 -2.994 6.173 3.773 293 1HG1 VAL 39 1HG1 VAL 39 -5.286 7.777 4.987 294 2HG1 VAL 39 2HG1 VAL 39 -3.626 7.651 5.580 295 3HG1 VAL 39 3HG1 VAL 39 -3.948 8.474 4.048 296 1HG2 VAL 39 1HG2 VAL 39 -4.165 4.206 4.404 297 2HG2 VAL 39 2HG2 VAL 39 -4.082 5.275 5.824 298 3HG2 VAL 39 3HG2 VAL 39 -5.595 5.130 4.896 299 H ASN 40 H ASN 40 -6.947 4.772 2.757 300 HA ASN 40 HA ASN 40 -8.806 7.050 3.155 301 1HB ASN 40 2HB ASN 40 -8.675 5.107 0.840 302 2HB ASN 40 3HB ASN 40 -10.271 5.433 1.514 303 1HD2 ASN 40 1HD2 ASN 40 -9.163 6.177 -1.149 304 2HD2 ASN 40 2HD2 ASN 40 -9.448 7.904 -1.231 305 H LEU 41 H LEU 41 -8.114 6.040 5.293 306 HA LEU 41 HA LEU 41 -9.322 3.553 6.065 307 1HB LEU 41 2HB LEU 41 -8.608 6.012 7.732 308 2HB LEU 41 3HB LEU 41 -9.126 4.456 8.397 309 HG LEU 41 HG LEU 41 -6.627 4.997 6.783 310 1HD1 LEU 41 1HD1 LEU 41 -6.573 5.665 9.170 311 2HD1 LEU 41 2HD1 LEU 41 -7.018 4.002 9.629 312 3HD1 LEU 41 3HD1 LEU 41 -5.461 4.326 8.845 313 1HD2 LEU 41 1HD2 LEU 41 -6.210 2.471 7.489 314 2HD2 LEU 41 2HD2 LEU 41 -7.970 2.416 7.631 315 3HD2 LEU 41 3HD2 LEU 41 -7.207 2.800 6.070 316 H ALA 42 H ALA 42 -10.746 6.535 5.286 317 HA ALA 42 HA ALA 42 -13.200 6.390 6.759 318 1HB ALA 42 1HB ALA 42 -12.620 7.420 3.941 319 2HB ALA 42 2HB ALA 42 -14.063 7.785 4.913 320 3HB ALA 42 3HB ALA 42 -12.471 8.372 5.438 321 H THR 43 H THR 43 -11.814 4.371 4.286 322 HA THR 43 HA THR 43 -14.339 2.825 4.086 323 HB THR 43 HB THR 43 -12.413 3.543 1.817 324 HG1 THR 43 1HG THR 43 -14.728 4.760 2.802 325 1HG2 THR 43 1HG2 THR 43 -15.124 2.177 1.852 326 2HG2 THR 43 2HG2 THR 43 -14.405 2.907 0.395 327 3HG2 THR 43 3HG2 THR 43 -13.592 1.553 1.187 328 H GLU 44 H GLU 44 -11.752 2.629 5.742 329 HA GLU 44 HA GLU 44 -9.983 1.247 6.126 330 1HB GLU 44 2HB GLU 44 -12.180 -0.745 5.408 331 2HB GLU 44 3HB GLU 44 -10.730 -1.101 6.335 332 1HG GLU 44 2HG GLU 44 -12.193 -0.737 8.055 333 2HG GLU 44 3HG GLU 44 -11.564 0.905 7.888 334 H THR 45 H THR 45 -9.554 2.292 3.592 335 HA THR 45 HA THR 45 -8.414 0.024 2.056 336 HB THR 45 HB THR 45 -10.296 2.241 1.067 337 HG1 THR 45 1HG THR 45 -11.325 0.392 1.958 338 1HG2 THR 45 1HG2 THR 45 -10.187 1.293 -1.163 339 2HG2 THR 45 2HG2 THR 45 -8.564 1.809 -0.695 340 3HG2 THR 45 3HG2 THR 45 -9.015 0.085 -0.652 341 H VAL 46 H VAL 46 -6.723 0.668 0.682 342 HA VAL 46 HA VAL 46 -5.835 3.492 0.924 343 HB VAL 46 HB VAL 46 -4.598 2.229 2.588 344 1HG1 VAL 46 1HG1 VAL 46 -4.726 -0.055 1.514 345 2HG1 VAL 46 2HG1 VAL 46 -3.565 0.476 0.290 346 3HG1 VAL 46 3HG1 VAL 46 -3.076 0.391 1.985 347 1HG2 VAL 46 1HG2 VAL 46 -3.441 4.032 1.151 348 2HG2 VAL 46 2HG2 VAL 46 -2.396 2.867 1.958 349 3HG2 VAL 46 3HG2 VAL 46 -2.755 2.713 0.215 350 H ASN 47 H ASN 47 -4.729 4.225 -0.907 351 HA ASN 47 HA ASN 47 -4.561 2.307 -3.135 352 1HB ASN 47 2HB ASN 47 -5.504 3.769 -4.717 353 2HB ASN 47 3HB ASN 47 -6.567 3.961 -3.330 354 1HD2 ASN 47 1HD2 ASN 47 -3.873 5.404 -5.201 355 2HD2 ASN 47 2HD2 ASN 47 -4.206 7.048 -4.696 356 H VAL 48 H VAL 48 -2.884 2.650 -4.601 357 HA VAL 48 HA VAL 48 -0.956 4.718 -3.970 358 HB VAL 48 HB VAL 48 -0.285 3.071 -2.318 359 1HG1 VAL 48 1HG1 VAL 48 -1.184 1.014 -3.230 360 2HG1 VAL 48 2HG1 VAL 48 -0.102 1.112 -4.634 361 3HG1 VAL 48 3HG1 VAL 48 0.559 0.827 -3.012 362 1HG2 VAL 48 1HG2 VAL 48 1.514 4.337 -3.463 363 2HG2 VAL 48 2HG2 VAL 48 2.043 2.736 -2.936 364 3HG2 VAL 48 3HG2 VAL 48 1.676 3.021 -4.646 365 H ILE 49 H ILE 49 0.396 5.172 -5.615 366 HA ILE 49 HA ILE 49 -0.277 4.033 -8.258 367 HB ILE 49 HB ILE 49 1.058 6.683 -7.675 368 1HG1 ILE 49 2HG1 ILE 49 -1.930 6.138 -7.910 369 2HG1 ILE 49 3HG1 ILE 49 -1.074 6.804 -6.516 370 1HG2 ILE 49 1HG2 ILE 49 -0.668 6.207 -10.081 371 2HG2 ILE 49 2HG2 ILE 49 0.857 7.107 -9.918 372 3HG2 ILE 49 3HG2 ILE 49 0.871 5.346 -10.044 373 1HD1 ILE 49 1HD1 ILE 49 -0.371 8.759 -7.958 374 2HD1 ILE 49 2HD1 ILE 49 -1.523 8.174 -9.180 375 3HD1 ILE 49 3HD1 ILE 49 -2.103 8.642 -7.573 376 H TYR 50 H TYR 50 1.294 2.932 -9.323 377 HA TYR 50 HA TYR 50 4.108 3.400 -8.729 378 1HB TYR 50 2HB TYR 50 4.457 0.896 -8.313 379 2HB TYR 50 3HB TYR 50 3.808 1.801 -6.980 380 HD1 TYR 50 HD1 TYR 50 1.937 0.856 -5.873 381 HD2 TYR 50 HD2 TYR 50 2.623 -0.214 -9.996 382 HE1 TYR 50 HE1 TYR 50 0.242 -0.938 -5.712 383 HE2 TYR 50 HE2 TYR 50 0.864 -1.911 -9.858 384 HH TYR 50 HH TYR 50 -0.845 -2.649 -6.834 385 H ASP 51 H ASP 51 5.493 1.915 -10.050 386 HA ASP 51 HA ASP 51 4.315 1.721 -12.738 387 1HB ASP 51 2HB ASP 51 6.260 3.154 -12.177 388 2HB ASP 51 3HB ASP 51 7.212 1.728 -11.865 389 HA PRO 52 HA PRO 52 4.522 -2.789 -11.812 390 1HB PRO 52 2HB PRO 52 3.197 -3.737 -13.955 391 2HB PRO 52 3HB PRO 52 2.376 -2.845 -12.643 392 1HG PRO 52 2HG PRO 52 3.365 -1.728 -15.283 393 2HG PRO 52 3HG PRO 52 1.731 -1.556 -14.575 394 1HD PRO 52 2HD PRO 52 3.668 0.331 -14.306 395 2HD PRO 52 3HD PRO 52 2.518 0.009 -12.964 396 H ALA 53 H ALA 53 6.572 -1.042 -13.642 397 HA ALA 53 HA ALA 53 7.677 -3.278 -15.259 398 1HB ALA 53 1HB ALA 53 7.816 -0.936 -16.084 399 2HB ALA 53 2HB ALA 53 8.813 -0.512 -14.674 400 3HB ALA 53 3HB ALA 53 9.412 -1.684 -15.860 401 H GLU 54 H GLU 54 8.287 -1.376 -12.357 402 HA GLU 54 HA GLU 54 10.434 -3.205 -11.381 403 1HB GLU 54 2HB GLU 54 9.408 -0.446 -10.532 404 2HB GLU 54 3HB GLU 54 10.610 -1.370 -9.656 405 1HG GLU 54 2HG GLU 54 12.002 -1.420 -11.794 406 2HG GLU 54 3HG GLU 54 10.837 -0.279 -12.491 407 H THR 55 H THR 55 7.324 -1.778 -10.595 408 HA THR 55 HA THR 55 7.006 -3.388 -8.179 409 HB THR 55 HB THR 55 6.924 -0.458 -8.547 410 HG1 THR 55 1HG THR 55 8.922 -0.976 -7.838 411 1HG2 THR 55 1HG2 THR 55 5.210 -0.898 -7.045 412 2HG2 THR 55 2HG2 THR 55 6.079 -2.239 -6.210 413 3HG2 THR 55 3HG2 THR 55 6.608 -0.522 -6.021 414 H GLY 56 H GLY 56 5.220 -4.203 -7.608 415 1HA GLY 56 2HA GLY 56 2.974 -2.605 -7.522 416 2HA GLY 56 3HA GLY 56 2.625 -3.928 -8.673 417 H THR 57 H THR 57 1.154 -4.615 -7.157 418 HA THR 57 HA THR 57 1.128 -5.359 -4.591 419 HB THR 57 HB THR 57 -0.840 -5.649 -5.573 420 HG1 THR 57 1HG THR 57 -0.078 -8.339 -5.824 421 1HG2 THR 57 1HG2 THR 57 -0.381 -5.582 -7.928 422 2HG2 THR 57 2HG2 THR 57 0.444 -7.163 -7.891 423 3HG2 THR 57 3HG2 THR 57 -1.307 -7.036 -7.603 424 H ALA 58 H ALA 58 2.793 -7.380 -7.058 425 HA ALA 58 HA ALA 58 3.603 -9.511 -5.475 426 1HB ALA 58 1HB ALA 58 5.598 -9.614 -6.942 427 2HB ALA 58 2HB ALA 58 4.114 -9.334 -7.870 428 3HB ALA 58 3HB ALA 58 5.236 -7.992 -7.558 429 H ALA 59 H ALA 59 5.195 -6.282 -5.616 430 HA ALA 59 HA ALA 59 7.363 -7.198 -3.789 431 1HB ALA 59 1HB ALA 59 7.988 -5.741 -5.704 432 2HB ALA 59 2HB ALA 59 6.854 -4.497 -5.131 433 3HB ALA 59 3HB ALA 59 8.268 -4.934 -4.149 434 H ILE 60 H ILE 60 4.460 -5.260 -4.026 435 HA ILE 60 HA ILE 60 4.854 -3.847 -1.615 436 HB ILE 60 HB ILE 60 2.776 -4.145 -3.719 437 1HG1 ILE 60 2HG1 ILE 60 3.471 -1.742 -2.104 438 2HG1 ILE 60 3HG1 ILE 60 4.668 -2.366 -3.248 439 1HG2 ILE 60 1HG2 ILE 60 1.962 -3.412 -0.907 440 2HG2 ILE 60 2HG2 ILE 60 1.120 -2.777 -2.333 441 3HG2 ILE 60 3HG2 ILE 60 1.183 -4.515 -2.045 442 1HD1 ILE 60 1HD1 ILE 60 3.074 -2.126 -5.110 443 2HD1 ILE 60 2HD1 ILE 60 1.864 -1.447 -4.001 444 3HD1 ILE 60 3HD1 ILE 60 3.385 -0.584 -4.296 445 H GLN 61 H GLN 61 2.719 -6.716 -2.233 446 HA GLN 61 HA GLN 61 1.775 -7.040 0.401 447 1HB GLN 61 2HB GLN 61 2.298 -8.883 -1.911 448 2HB GLN 61 3HB GLN 61 2.210 -9.596 -0.298 449 1HG GLN 61 2HG GLN 61 0.103 -9.871 -1.034 450 2HG GLN 61 3HG GLN 61 -0.015 -8.492 0.055 451 1HE2 GLN 61 1HE2 GLN 61 0.578 -6.322 -1.510 452 2HE2 GLN 61 2HE2 GLN 61 -0.513 -6.271 -2.898 453 H GLU 62 H GLU 62 4.742 -8.386 -1.047 454 HA GLU 62 HA GLU 62 5.872 -9.664 1.110 455 1HB GLU 62 2HB GLU 62 6.655 -8.951 -1.458 456 2HB GLU 62 3HB GLU 62 7.743 -7.937 -0.532 457 1HG GLU 62 2HG GLU 62 7.401 -10.961 -0.201 458 2HG GLU 62 3HG GLU 62 8.595 -10.177 -1.246 459 H LYS 63 H LYS 63 6.261 -6.142 0.372 460 HA LYS 63 HA LYS 63 7.736 -5.799 2.835 461 1HB LYS 63 2HB LYS 63 7.033 -4.187 0.470 462 2HB LYS 63 3HB LYS 63 6.804 -3.309 1.971 463 1HG LYS 63 2HG LYS 63 9.120 -3.015 1.271 464 2HG LYS 63 3HG LYS 63 9.087 -4.002 2.720 465 1HD LYS 63 2HD LYS 63 8.904 -5.955 0.760 466 2HD LYS 63 3HD LYS 63 9.795 -4.739 -0.127 467 1HE LYS 63 2HE LYS 63 11.665 -4.905 1.367 468 2HE LYS 63 3HE LYS 63 10.677 -5.611 2.662 469 1HZ LYS 63 1HZ LYS 63 11.307 -7.033 0.168 470 2HZ LYS 63 2HZ LYS 63 12.011 -7.302 1.635 471 3HZ LYS 63 3HZ LYS 63 10.420 -7.593 1.400 472 H ILE 64 H ILE 64 4.292 -5.382 1.922 473 HA ILE 64 HA ILE 64 3.482 -3.975 4.155 474 HB ILE 64 HB ILE 64 2.019 -5.992 2.463 475 1HG1 ILE 64 2HG1 ILE 64 2.676 -3.912 1.283 476 2HG1 ILE 64 3HG1 ILE 64 0.939 -4.138 1.443 477 1HG2 ILE 64 1HG2 ILE 64 0.042 -4.549 3.567 478 2HG2 ILE 64 2HG2 ILE 64 0.653 -6.043 4.319 479 3HG2 ILE 64 3HG2 ILE 64 1.184 -4.440 4.893 480 1HD1 ILE 64 1HD1 ILE 64 1.052 -1.967 2.088 481 2HD1 ILE 64 2HD1 ILE 64 1.443 -2.663 3.655 482 3HD1 ILE 64 3HD1 ILE 64 2.760 -2.109 2.613 483 H GLU 65 H GLU 65 3.805 -7.562 3.629 484 HA GLU 65 HA GLU 65 3.011 -8.545 6.164 485 1HB GLU 65 2HB GLU 65 5.059 -9.410 4.115 486 2HB GLU 65 3HB GLU 65 4.842 -10.288 5.631 487 1HG GLU 65 2HG GLU 65 2.294 -9.764 4.213 488 2HG GLU 65 3HG GLU 65 3.450 -10.740 3.293 489 H LYS 66 H LYS 66 6.219 -7.362 5.091 490 HA LYS 66 HA LYS 66 7.484 -7.825 7.594 491 1HB LYS 66 2HB LYS 66 8.320 -7.097 5.062 492 2HB LYS 66 3HB LYS 66 8.501 -5.587 5.941 493 1HG LYS 66 2HG LYS 66 10.537 -6.424 6.496 494 2HG LYS 66 3HG LYS 66 9.684 -7.301 7.752 495 1HD LYS 66 2HD LYS 66 10.398 -8.267 4.934 496 2HD LYS 66 3HD LYS 66 11.243 -8.747 6.397 497 1HE LYS 66 2HE LYS 66 8.295 -9.389 5.814 498 2HE LYS 66 3HE LYS 66 9.637 -10.443 5.388 499 1HZ LYS 66 1HZ LYS 66 8.646 -11.075 7.450 500 2HZ LYS 66 2HZ LYS 66 10.208 -10.631 7.690 501 3HZ LYS 66 3HZ LYS 66 8.983 -9.621 8.136 502 H LEU 67 H LEU 67 5.967 -4.817 6.274 503 HA LEU 67 HA LEU 67 6.344 -3.094 8.457 504 1HB LEU 67 2HB LEU 67 4.219 -3.437 6.299 505 2HB LEU 67 3HB LEU 67 4.003 -2.271 7.560 506 HG LEU 67 HG LEU 67 5.702 -0.959 6.929 507 1HD1 LEU 67 1HD1 LEU 67 7.629 -2.511 6.733 508 2HD1 LEU 67 2HD1 LEU 67 7.045 -2.992 5.127 509 3HD1 LEU 67 3HD1 LEU 67 7.544 -1.332 5.426 510 1HD2 LEU 67 1HD2 LEU 67 5.391 -0.500 4.549 511 2HD2 LEU 67 2HD2 LEU 67 4.883 -2.167 4.254 512 3HD2 LEU 67 3HD2 LEU 67 3.862 -1.090 5.222 513 H GLY 68 H GLY 68 4.486 -6.061 8.358 514 1HA GLY 68 2HA GLY 68 3.865 -7.158 10.289 515 2HA GLY 68 3HA GLY 68 3.845 -5.647 11.208 516 H TYR 69 H TYR 69 2.278 -6.040 8.002 517 HA TYR 69 HA TYR 69 -0.395 -6.317 9.285 518 1HB TYR 69 2HB TYR 69 0.368 -4.229 7.202 519 2HB TYR 69 3HB TYR 69 -1.260 -4.552 7.785 520 HD1 TYR 69 HD1 TYR 69 2.091 -3.275 8.738 521 HD2 TYR 69 HD2 TYR 69 -2.071 -3.476 9.779 522 HE1 TYR 69 HE1 TYR 69 2.483 -1.645 10.523 523 HE2 TYR 69 HE2 TYR 69 -1.723 -1.697 11.477 524 HH TYR 69 HH TYR 69 1.480 -0.252 12.090 525 H HIS 70 H HIS 70 -1.989 -6.952 7.554 526 HA HIS 70 HA HIS 70 -0.644 -8.229 5.215 527 1HB HIS 70 2HB HIS 70 -1.396 -10.197 5.776 528 2HB HIS 70 3HB HIS 70 -2.051 -9.582 7.278 529 HD1 HIS 70 1HD HIS 70 -3.364 -9.422 3.589 530 HD2 HIS 70 2HD HIS 70 -4.566 -9.878 7.598 531 HE1 HIS 70 1HE HIS 70 -5.845 -9.146 3.662 532 H VAL 71 H VAL 71 -1.373 -7.505 3.374 533 HA VAL 71 HA VAL 71 -3.903 -5.923 3.290 534 HB VAL 71 HB VAL 71 -1.771 -4.860 2.523 535 1HG1 VAL 71 1HG1 VAL 71 -0.765 -6.764 1.329 536 2HG1 VAL 71 2HG1 VAL 71 -2.070 -6.688 0.112 537 3HG1 VAL 71 3HG1 VAL 71 -0.934 -5.340 0.287 538 1HG2 VAL 71 1HG2 VAL 71 -4.007 -4.995 0.515 539 2HG2 VAL 71 2HG2 VAL 71 -3.915 -3.959 1.950 540 3HG2 VAL 71 3HG2 VAL 71 -2.755 -3.732 0.645 541 H VAL 72 H VAL 72 -5.517 -6.371 1.682 542 HA VAL 72 HA VAL 72 -5.360 -9.147 0.500 543 HB VAL 72 HB VAL 72 -7.941 -8.648 0.183 544 1HG1 VAL 72 1HG1 VAL 72 -6.582 -10.324 1.934 545 2HG1 VAL 72 2HG1 VAL 72 -7.814 -9.485 2.923 546 3HG1 VAL 72 3HG1 VAL 72 -8.285 -10.361 1.475 547 1HG2 VAL 72 1HG2 VAL 72 -7.903 -6.409 1.126 548 2HG2 VAL 72 2HG2 VAL 72 -9.019 -7.492 1.982 549 3HG2 VAL 72 3HG2 VAL 72 -7.464 -7.074 2.730 550 H ILE 73 H ILE 73 -6.569 -9.310 -1.600 551 HA ILE 73 HA ILE 73 -6.409 -6.833 -3.252 552 HB ILE 73 HB ILE 73 -5.666 -9.699 -3.974 553 1HG1 ILE 73 2HG1 ILE 73 -3.931 -8.403 -2.675 554 2HG1 ILE 73 3HG1 ILE 73 -3.434 -8.960 -4.260 555 1HG2 ILE 73 1HG2 ILE 73 -6.700 -8.789 -5.953 556 2HG2 ILE 73 2HG2 ILE 73 -5.893 -7.227 -5.740 557 3HG2 ILE 73 3HG2 ILE 73 -4.960 -8.674 -6.187 558 1HD1 ILE 73 1HD1 ILE 73 -3.632 -6.740 -5.211 559 2HD1 ILE 73 2HD1 ILE 73 -4.453 -6.127 -3.766 560 3HD1 ILE 73 3HD1 ILE 73 -2.745 -6.599 -3.688 561 H GLU 74 H GLU 74 -8.542 -6.475 -2.598 562 HA GLU 74 HA GLU 74 -10.538 -7.942 -4.267 563 1HB GLU 74 2HB GLU 74 -10.779 -7.170 -1.326 564 2HB GLU 74 3HB GLU 74 -12.164 -7.557 -2.351 565 1HG GLU 74 2HG GLU 74 -11.398 -9.813 -2.700 566 2HG GLU 74 3HG GLU 74 -9.838 -9.485 -1.929 567 H GLY 75 H GLY 75 -10.231 -6.203 -5.792 568 1HA GLY 75 2HA GLY 75 -11.818 -3.863 -5.344 569 2HA GLY 75 3HA GLY 75 -10.088 -3.469 -5.209 570 H ARG 76 H ARG 76 -9.335 -2.753 -7.104 571 HA ARG 76 HA ARG 76 -8.892 -2.443 -9.269 572 1HB ARG 76 2HB ARG 76 -8.176 -4.349 -10.517 573 2HB ARG 76 3HB ARG 76 -7.599 -4.469 -8.856 574 1HG ARG 76 2HG ARG 76 -9.084 -6.235 -8.314 575 2HG ARG 76 3HG ARG 76 -10.161 -5.887 -9.661 576 1HD ARG 76 2HD ARG 76 -7.676 -6.476 -10.897 577 2HD ARG 76 3HD ARG 76 -7.829 -7.622 -9.569 578 HE ARG 76 HE ARG 76 -9.435 -8.722 -10.739 579 1HH1 ARG 76 2HH2 ARG 76 -9.943 -5.328 -11.757 580 2HH1 ARG 76 1HH2 ARG 76 -10.406 -5.735 -13.346 581 1HH2 ARG 76 2HH1 ARG 76 -10.467 -9.238 -12.742 582 2HH2 ARG 76 1HH1 ARG 76 -10.971 -7.967 -13.811 Start of MODEL 20 1 1H MET 1 H1 MET 1 10.501 -0.877 -22.828 2 2H MET 1 H2 MET 1 10.653 -1.582 -24.338 3 3H MET 1 H3 MET 1 11.328 -0.099 -23.994 4 HA MET 1 HA MET 1 9.440 0.488 -25.130 5 1HB MET 1 2HB MET 1 7.263 -0.514 -24.737 6 2HB MET 1 3HB MET 1 8.446 -1.773 -25.084 7 1HG MET 1 2HG MET 1 8.559 -1.728 -22.324 8 2HG MET 1 3HG MET 1 6.889 -1.240 -22.603 9 1HE MET 1 1HE MET 1 6.124 -3.367 -21.194 10 2HE MET 1 2HE MET 1 6.695 -5.018 -21.536 11 3HE MET 1 3HE MET 1 7.838 -3.789 -20.947 12 H LEU 2 H LEU 2 7.616 1.972 -24.194 13 HA LEU 2 HA LEU 2 8.606 3.358 -21.897 14 1HB LEU 2 2HB LEU 2 6.750 4.769 -22.081 15 2HB LEU 2 3HB LEU 2 7.275 4.414 -23.724 16 HG LEU 2 HG LEU 2 4.850 3.206 -22.289 17 1HD1 LEU 2 1HD1 LEU 2 3.544 4.602 -23.813 18 2HD1 LEU 2 2HD1 LEU 2 4.620 5.597 -22.822 19 3HD1 LEU 2 3HD1 LEU 2 5.034 5.267 -24.520 20 1HD2 LEU 2 1HD2 LEU 2 5.594 1.576 -23.943 21 2HD2 LEU 2 2HD2 LEU 2 4.198 2.431 -24.588 22 3HD2 LEU 2 3HD2 LEU 2 5.820 2.859 -25.165 23 H SER 3 H SER 3 7.813 3.410 -19.728 24 HA SER 3 HA SER 3 6.373 1.030 -18.789 25 1HB SER 3 2HB SER 3 6.977 2.401 -16.612 26 2HB SER 3 3HB SER 3 8.222 1.462 -17.440 27 HG SER 3 HG SER 3 8.709 3.719 -16.872 28 H GLU 4 H GLU 4 4.314 1.201 -17.830 29 HA GLU 4 HA GLU 4 2.914 3.825 -18.008 30 1HB GLU 4 2HB GLU 4 1.847 1.080 -18.785 31 2HB GLU 4 3HB GLU 4 0.962 2.605 -18.750 32 1HG GLU 4 2HG GLU 4 2.761 3.521 -20.330 33 2HG GLU 4 3HG GLU 4 3.264 1.842 -20.589 34 H GLN 5 H GLN 5 2.730 4.366 -15.955 35 HA GLN 5 HA GLN 5 2.448 2.364 -13.867 36 1HB GLN 5 2HB GLN 5 2.594 4.194 -12.355 37 2HB GLN 5 3HB GLN 5 3.879 4.323 -13.564 38 1HG GLN 5 2HG GLN 5 2.445 6.057 -14.765 39 2HG GLN 5 3HG GLN 5 1.305 5.974 -13.411 40 1HE2 GLN 5 1HE2 GLN 5 3.195 5.693 -11.245 41 2HE2 GLN 5 2HE2 GLN 5 4.104 7.124 -11.113 42 H LYS 6 H LYS 6 0.799 2.515 -12.147 43 HA LYS 6 HA LYS 6 -1.795 3.642 -12.936 44 1HB LYS 6 2HB LYS 6 -1.110 0.740 -13.170 45 2HB LYS 6 3HB LYS 6 -2.587 1.062 -12.277 46 1HG LYS 6 2HG LYS 6 -2.137 2.321 -14.989 47 2HG LYS 6 3HG LYS 6 -2.748 0.673 -14.813 48 1HD LYS 6 2HD LYS 6 -4.618 1.462 -13.413 49 2HD LYS 6 3HD LYS 6 -4.047 3.137 -13.551 50 1HE LYS 6 2HE LYS 6 -4.395 3.106 -15.985 51 2HE LYS 6 3HE LYS 6 -4.846 1.393 -15.934 52 1HZ LYS 6 1HZ LYS 6 -6.762 2.817 -16.038 53 2HZ LYS 6 2HZ LYS 6 -6.760 1.983 -14.623 54 3HZ LYS 6 3HZ LYS 6 -6.348 3.576 -14.640 55 H GLU 7 H GLU 7 -3.346 3.469 -11.259 56 HA GLU 7 HA GLU 7 -2.212 3.288 -8.546 57 1HB GLU 7 2HB GLU 7 -4.282 4.313 -7.838 58 2HB GLU 7 3HB GLU 7 -3.329 5.339 -8.923 59 1HG GLU 7 2HG GLU 7 -4.845 4.877 -10.789 60 2HG GLU 7 3HG GLU 7 -5.835 3.844 -9.732 61 H ILE 8 H ILE 8 -2.903 1.763 -7.089 62 HA ILE 8 HA ILE 8 -5.010 -0.113 -7.975 63 HB ILE 8 HB ILE 8 -2.640 -0.986 -8.017 64 1HG1 ILE 8 2HG1 ILE 8 -4.802 -2.364 -7.666 65 2HG1 ILE 8 3HG1 ILE 8 -3.228 -3.114 -7.380 66 1HG2 ILE 8 1HG2 ILE 8 -2.729 -0.620 -5.005 67 2HG2 ILE 8 2HG2 ILE 8 -1.613 -1.666 -5.870 68 3HG2 ILE 8 3HG2 ILE 8 -1.607 0.078 -6.191 69 1HD1 ILE 8 1HD1 ILE 8 -4.970 -3.573 -5.601 70 2HD1 ILE 8 2HD1 ILE 8 -3.412 -2.939 -5.038 71 3HD1 ILE 8 3HD1 ILE 8 -4.812 -1.864 -5.124 72 H ALA 9 H ALA 9 -6.536 -0.410 -6.414 73 HA ALA 9 HA ALA 9 -6.327 1.082 -3.838 74 1HB ALA 9 1HB ALA 9 -7.868 2.266 -5.365 75 2HB ALA 9 2HB ALA 9 -8.777 0.764 -5.615 76 3HB ALA 9 3HB ALA 9 -8.735 1.523 -4.008 77 H MET 10 H MET 10 -6.500 -0.340 -2.112 78 HA MET 10 HA MET 10 -8.160 -2.759 -2.398 79 1HB MET 10 2HB MET 10 -6.309 -4.265 -1.913 80 2HB MET 10 3HB MET 10 -6.069 -3.435 -3.449 81 1HG MET 10 2HG MET 10 -4.609 -1.753 -2.244 82 2HG MET 10 3HG MET 10 -4.859 -2.751 -0.791 83 1HE MET 10 1HE MET 10 -2.092 -1.667 -2.672 84 2HE MET 10 2HE MET 10 -2.098 -2.117 -0.955 85 3HE MET 10 3HE MET 10 -1.037 -2.975 -2.094 86 H GLN 11 H GLN 11 -8.006 -4.083 -0.249 87 HA GLN 11 HA GLN 11 -8.388 -2.085 1.901 88 1HB GLN 11 2HB GLN 11 -9.465 -4.862 2.173 89 2HB GLN 11 3HB GLN 11 -9.964 -3.354 2.889 90 1HG GLN 11 2HG GLN 11 -11.688 -3.810 1.450 91 2HG GLN 11 3HG GLN 11 -10.735 -2.676 0.491 92 1HE2 GLN 11 1HE2 GLN 11 -9.572 -3.540 -1.294 93 2HE2 GLN 11 2HE2 GLN 11 -9.977 -5.065 -2.042 94 H VAL 12 H VAL 12 -7.647 -2.555 4.031 95 HA VAL 12 HA VAL 12 -5.308 -4.422 4.083 96 HB VAL 12 HB VAL 12 -5.427 -1.996 5.853 97 1HG1 VAL 12 1HG1 VAL 12 -2.971 -2.135 5.572 98 2HG1 VAL 12 2HG1 VAL 12 -3.608 -3.659 6.200 99 3HG1 VAL 12 3HG1 VAL 12 -3.166 -3.516 4.480 100 1HG2 VAL 12 1HG2 VAL 12 -4.596 -2.063 2.935 101 2HG2 VAL 12 2HG2 VAL 12 -5.808 -0.986 3.684 102 3HG2 VAL 12 3HG2 VAL 12 -4.099 -0.786 4.082 103 H SER 13 H SER 13 -4.802 -5.393 6.152 104 HA SER 13 HA SER 13 -7.086 -5.527 8.071 105 1HB SER 13 2HB SER 13 -6.611 -7.543 6.496 106 2HB SER 13 3HB SER 13 -5.138 -7.764 7.450 107 HG SER 13 HG SER 13 -6.464 -7.999 9.300 108 H GLY 14 H GLY 14 -6.477 -4.731 10.006 109 1HA GLY 14 2HA GLY 14 -5.171 -5.326 11.966 110 2HA GLY 14 3HA GLY 14 -3.688 -5.185 11.031 111 H MET 15 H MET 15 -5.058 -2.720 9.717 112 HA MET 15 HA MET 15 -3.863 -0.618 11.054 113 1HB MET 15 2HB MET 15 -5.368 0.851 9.816 114 2HB MET 15 3HB MET 15 -4.748 -0.443 8.781 115 1HG MET 15 2HG MET 15 -7.479 -0.620 10.113 116 2HG MET 15 3HG MET 15 -7.244 0.203 8.593 117 1HE MET 15 1HE MET 15 -9.395 -1.543 8.268 118 2HE MET 15 2HE MET 15 -9.167 -3.295 8.079 119 3HE MET 15 3HE MET 15 -9.019 -2.547 9.683 120 H THR 16 H THR 16 -4.509 0.988 12.549 121 HA THR 16 HA THR 16 -7.106 0.614 13.977 122 HB THR 16 HB THR 16 -5.996 0.936 16.098 123 HG1 THR 16 1HG THR 16 -4.318 2.213 15.470 124 1HG2 THR 16 1HG2 THR 16 -4.810 -1.141 16.352 125 2HG2 THR 16 2HG2 THR 16 -6.119 -1.411 15.185 126 3HG2 THR 16 3HG2 THR 16 -4.443 -1.230 14.623 127 H CYS 17 H CYS 17 -6.532 2.435 11.869 128 HA CYS 17 HA CYS 17 -6.777 4.607 11.339 129 1HB CYS 17 2HB CYS 17 -8.802 4.208 12.804 130 2HB CYS 17 3HB CYS 17 -7.970 5.158 14.057 131 HG CYS 17 HG CYS 17 -8.605 5.924 10.888 132 H ALA 18 H ALA 18 -6.517 6.813 13.600 133 HA ALA 18 HA ALA 18 -4.845 8.300 14.039 134 1HB ALA 18 1HB ALA 18 -3.931 5.803 15.508 135 2HB ALA 18 2HB ALA 18 -3.582 7.486 15.963 136 3HB ALA 18 3HB ALA 18 -5.248 6.884 16.012 137 H ALA 19 H ALA 19 -4.188 7.604 11.514 138 HA ALA 19 HA ALA 19 -2.521 7.617 9.989 139 1HB ALA 19 1HB ALA 19 -1.945 9.662 11.270 140 2HB ALA 19 2HB ALA 19 -0.804 8.716 12.249 141 3HB ALA 19 3HB ALA 19 -0.533 8.909 10.508 142 H CYS 20 H CYS 20 -2.800 5.147 11.692 143 HA CYS 20 HA CYS 20 -0.173 3.922 11.846 144 1HB CYS 20 2HB CYS 20 -3.000 2.789 11.980 145 2HB CYS 20 3HB CYS 20 -1.553 1.780 12.012 146 HG CYS 20 HG CYS 20 -2.375 2.012 14.432 147 H ALA 21 H ALA 21 -2.988 3.322 9.657 148 HA ALA 21 HA ALA 21 -1.437 1.765 7.875 149 1HB ALA 21 1HB ALA 21 -3.850 1.575 7.980 150 2HB ALA 21 2HB ALA 21 -4.010 3.221 7.343 151 3HB ALA 21 3HB ALA 21 -3.329 1.938 6.321 152 H ALA 22 H ALA 22 -1.741 5.203 8.153 153 HA ALA 22 HA ALA 22 -0.639 5.937 5.625 154 1HB ALA 22 1HB ALA 22 -0.346 7.174 8.404 155 2HB ALA 22 2HB ALA 22 0.122 7.971 6.883 156 3HB ALA 22 3HB ALA 22 -1.583 7.576 7.210 157 H ARG 23 H ARG 23 0.946 4.798 8.696 158 HA ARG 23 HA ARG 23 3.652 5.098 7.709 159 1HB ARG 23 2HB ARG 23 2.463 3.287 9.842 160 2HB ARG 23 3HB ARG 23 4.151 3.280 9.410 161 1HG ARG 23 2HG ARG 23 2.696 5.788 10.356 162 2HG ARG 23 3HG ARG 23 3.522 4.639 11.413 163 1HD ARG 23 2HD ARG 23 5.359 5.940 11.132 164 2HD ARG 23 3HD ARG 23 5.549 5.028 9.658 165 HE ARG 23 HE ARG 23 5.108 6.896 8.418 166 1HH1 ARG 23 2HH2 ARG 23 3.824 7.393 11.643 167 2HH1 ARG 23 1HH2 ARG 23 3.738 9.125 11.557 168 1HH2 ARG 23 2HH1 ARG 23 5.030 9.223 8.227 169 2HH2 ARG 23 1HH1 ARG 23 4.390 10.179 9.523 170 H ILE 24 H ILE 24 1.289 2.416 7.714 171 HA ILE 24 HA ILE 24 2.840 0.404 6.571 172 HB ILE 24 HB ILE 24 -0.089 0.987 5.939 173 1HG1 ILE 24 2HG1 ILE 24 1.136 -0.855 8.008 174 2HG1 ILE 24 3HG1 ILE 24 0.402 0.691 8.395 175 1HG2 ILE 24 1HG2 ILE 24 0.901 -0.525 4.317 176 2HG2 ILE 24 2HG2 ILE 24 1.486 -1.571 5.646 177 3HG2 ILE 24 3HG2 ILE 24 -0.252 -1.366 5.327 178 1HD1 ILE 24 1HD1 ILE 24 -0.973 -1.816 7.394 179 2HD1 ILE 24 2HD1 ILE 24 -1.374 -0.790 8.785 180 3HD1 ILE 24 3HD1 ILE 24 -1.733 -0.252 7.139 181 H GLU 25 H GLU 25 0.745 2.711 4.747 182 HA GLU 25 HA GLU 25 1.873 1.782 2.318 183 1HB GLU 25 2HB GLU 25 -0.381 3.267 2.983 184 2HB GLU 25 3HB GLU 25 0.631 4.477 2.214 185 1HG GLU 25 2HG GLU 25 -0.637 3.455 0.428 186 2HG GLU 25 3HG GLU 25 1.013 2.855 0.274 187 H LYS 26 H LYS 26 2.700 4.579 4.412 188 HA LYS 26 HA LYS 26 4.381 5.982 2.637 189 1HB LYS 26 2HB LYS 26 4.289 5.586 5.629 190 2HB LYS 26 3HB LYS 26 5.592 6.489 4.912 191 1HG LYS 26 2HG LYS 26 2.745 7.161 4.160 192 2HG LYS 26 3HG LYS 26 3.413 7.745 5.692 193 1HD LYS 26 2HD LYS 26 5.301 8.793 4.537 194 2HD LYS 26 3HD LYS 26 4.737 8.226 2.966 195 1HE LYS 26 2HE LYS 26 3.204 10.109 4.857 196 2HE LYS 26 3HE LYS 26 4.184 10.652 3.493 197 1HZ LYS 26 1HZ LYS 26 1.859 10.551 2.937 198 2HZ LYS 26 2HZ LYS 26 2.685 9.474 2.019 199 3HZ LYS 26 3HZ LYS 26 1.776 8.950 3.279 200 H GLY 27 H GLY 27 4.960 3.088 4.612 201 1HA GLY 27 2HA GLY 27 7.678 2.564 4.067 202 2HA GLY 27 3HA GLY 27 6.386 1.352 4.192 203 H LEU 28 H LEU 28 4.755 1.776 2.050 204 HA LEU 28 HA LEU 28 6.297 0.742 -0.138 205 1HB LEU 28 2HB LEU 28 3.461 1.772 -0.109 206 2HB LEU 28 3HB LEU 28 4.230 0.832 -1.388 207 HG LEU 28 HG LEU 28 3.828 -0.171 1.452 208 1HD1 LEU 28 1HD1 LEU 28 1.758 -0.023 0.533 209 2HD1 LEU 28 2HD1 LEU 28 2.249 -0.403 -1.110 210 3HD1 LEU 28 3HD1 LEU 28 2.209 -1.679 0.122 211 1HD2 LEU 28 1HD2 LEU 28 5.301 -1.350 -0.917 212 2HD2 LEU 28 2HD2 LEU 28 5.694 -1.359 0.799 213 3HD2 LEU 28 3HD2 LEU 28 4.417 -2.410 0.193 214 H LYS 29 H LYS 29 5.121 4.018 0.610 215 HA LYS 29 HA LYS 29 5.843 5.131 -1.906 216 1HB LYS 29 2HB LYS 29 4.492 6.423 -0.578 217 2HB LYS 29 3HB LYS 29 5.584 6.442 0.791 218 1HG LYS 29 2HG LYS 29 7.231 7.776 -0.444 219 2HG LYS 29 3HG LYS 29 6.267 7.662 -1.917 220 1HD LYS 29 2HD LYS 29 5.504 9.127 0.650 221 2HD LYS 29 3HD LYS 29 6.112 9.842 -0.853 222 1HE LYS 29 2HE LYS 29 3.954 8.328 -1.742 223 2HE LYS 29 3HE LYS 29 3.378 8.856 -0.183 224 1HZ LYS 29 1HZ LYS 29 4.047 11.209 -1.020 225 2HZ LYS 29 2HZ LYS 29 4.028 10.536 -2.529 226 3HZ LYS 29 3HZ LYS 29 2.724 10.472 -1.669 227 H ARG 30 H ARG 30 7.964 3.764 0.490 228 HA ARG 30 HA ARG 30 10.311 5.058 -0.785 229 1HB ARG 30 2HB ARG 30 9.782 3.711 1.765 230 2HB ARG 30 3HB ARG 30 11.150 2.999 0.944 231 1HG ARG 30 2HG ARG 30 12.428 4.578 1.749 232 2HG ARG 30 3HG ARG 30 11.674 5.769 0.710 233 1HD ARG 30 2HD ARG 30 10.572 4.997 3.456 234 2HD ARG 30 3HD ARG 30 11.807 6.248 3.204 235 HE ARG 30 HE ARG 30 9.594 6.765 1.484 236 1HH1 ARG 30 2HH2 ARG 30 10.319 6.717 4.912 237 2HH1 ARG 30 1HH2 ARG 30 9.571 8.234 5.303 238 1HH2 ARG 30 2HH1 ARG 30 8.659 8.881 1.913 239 2HH2 ARG 30 1HH1 ARG 30 8.572 9.481 3.539 240 H MET 31 H MET 31 8.372 2.308 -1.613 241 HA MET 31 HA MET 31 10.569 0.595 -2.343 242 1HB MET 31 2HB MET 31 7.607 0.549 -2.808 243 2HB MET 31 3HB MET 31 8.630 -0.398 -3.870 244 1HG MET 31 2HG MET 31 7.796 -1.731 -2.078 245 2HG MET 31 3HG MET 31 9.552 -1.688 -2.055 246 1HE MET 31 1HE MET 31 10.362 -0.329 1.411 247 2HE MET 31 2HE MET 31 10.868 -1.341 0.039 248 3HE MET 31 3HE MET 31 10.691 0.423 -0.155 249 HA PRO 32 HA PRO 32 11.925 2.630 -5.971 250 1HB PRO 32 2HB PRO 32 13.287 0.664 -7.263 251 2HB PRO 32 3HB PRO 32 13.831 1.317 -5.692 252 1HG PRO 32 2HG PRO 32 12.177 -1.190 -6.157 253 2HG PRO 32 3HG PRO 32 13.673 -1.040 -5.195 254 1HD PRO 32 2HD PRO 32 11.239 -0.916 -4.022 255 2HD PRO 32 3HD PRO 32 12.546 0.188 -3.493 256 H GLY 33 H GLY 33 9.803 3.043 -6.906 257 1HA GLY 33 2HA GLY 33 9.253 2.755 -9.428 258 2HA GLY 33 3HA GLY 33 8.801 1.132 -8.970 259 H VAL 34 H VAL 34 8.037 2.722 -6.181 260 HA VAL 34 HA VAL 34 5.289 3.292 -6.820 261 HB VAL 34 HB VAL 34 6.363 2.609 -4.609 262 1HG1 VAL 34 1HG1 VAL 34 8.105 4.614 -4.926 263 2HG1 VAL 34 2HG1 VAL 34 6.849 5.555 -4.119 264 3HG1 VAL 34 3HG1 VAL 34 7.560 4.116 -3.346 265 1HG2 VAL 34 1HG2 VAL 34 3.998 3.402 -4.877 266 2HG2 VAL 34 2HG2 VAL 34 4.699 3.700 -3.287 267 3HG2 VAL 34 3HG2 VAL 34 4.535 5.037 -4.438 268 H THR 35 H THR 35 4.308 5.355 -6.708 269 HA THR 35 HA THR 35 6.062 7.732 -7.183 270 HB THR 35 HB THR 35 3.395 8.265 -8.116 271 HG1 THR 35 1HG THR 35 3.414 5.907 -8.388 272 1HG2 THR 35 1HG2 THR 35 4.530 8.829 -10.178 273 2HG2 THR 35 2HG2 THR 35 5.529 9.356 -8.822 274 3HG2 THR 35 3HG2 THR 35 5.960 7.873 -9.705 275 H ASP 36 H ASP 36 2.760 6.711 -6.033 276 HA ASP 36 HA ASP 36 3.229 8.345 -3.698 277 1HB ASP 36 2HB ASP 36 2.113 9.782 -5.694 278 2HB ASP 36 3HB ASP 36 0.639 9.111 -4.968 279 H ALA 37 H ALA 37 1.354 8.310 -2.156 280 HA ALA 37 HA ALA 37 -0.066 5.709 -2.091 281 1HB ALA 37 1HB ALA 37 2.077 6.550 -0.090 282 2HB ALA 37 2HB ALA 37 0.976 5.179 0.084 283 3HB ALA 37 3HB ALA 37 2.175 5.178 -1.222 284 H ASN 38 H ASN 38 -2.074 6.094 -1.233 285 HA ASN 38 HA ASN 38 -2.519 8.410 0.583 286 1HB ASN 38 2HB ASN 38 -3.558 7.973 -2.200 287 2HB ASN 38 3HB ASN 38 -4.760 8.417 -0.991 288 1HD2 ASN 38 1HD2 ASN 38 -2.603 9.780 -3.185 289 2HD2 ASN 38 2HD2 ASN 38 -2.521 11.365 -2.441 290 H VAL 39 H VAL 39 -3.550 7.722 2.323 291 HA VAL 39 HA VAL 39 -4.808 5.055 2.335 292 HB VAL 39 HB VAL 39 -2.980 5.790 3.922 293 1HG1 VAL 39 1HG1 VAL 39 -5.213 7.316 5.324 294 2HG1 VAL 39 2HG1 VAL 39 -3.543 7.094 5.865 295 3HG1 VAL 39 3HG1 VAL 39 -3.875 8.078 4.433 296 1HG2 VAL 39 1HG2 VAL 39 -4.121 3.802 4.418 297 2HG2 VAL 39 2HG2 VAL 39 -4.167 4.779 5.900 298 3HG2 VAL 39 3HG2 VAL 39 -5.611 4.649 4.872 299 H ASN 40 H ASN 40 -6.950 4.663 2.747 300 HA ASN 40 HA ASN 40 -8.731 6.947 3.306 301 1HB ASN 40 2HB ASN 40 -8.703 6.277 0.837 302 2HB ASN 40 3HB ASN 40 -9.395 4.730 1.317 303 1HD2 ASN 40 1HD2 ASN 40 -11.260 5.492 -0.098 304 2HD2 ASN 40 2HD2 ASN 40 -12.467 6.499 0.680 305 H LEU 41 H LEU 41 -8.202 5.898 5.462 306 HA LEU 41 HA LEU 41 -9.360 3.348 6.070 307 1HB LEU 41 2HB LEU 41 -8.673 5.671 7.910 308 2HB LEU 41 3HB LEU 41 -9.092 4.031 8.426 309 HG LEU 41 HG LEU 41 -6.680 4.879 6.785 310 1HD1 LEU 41 1HD1 LEU 41 -6.647 5.280 9.231 311 2HD1 LEU 41 2HD1 LEU 41 -6.924 3.525 9.481 312 3HD1 LEU 41 3HD1 LEU 41 -5.420 4.108 8.747 313 1HD2 LEU 41 1HD2 LEU 41 -7.786 2.114 7.438 314 2HD2 LEU 41 2HD2 LEU 41 -7.239 2.723 5.858 315 3HD2 LEU 41 3HD2 LEU 41 -6.066 2.343 7.114 316 H ALA 42 H ALA 42 -10.890 6.324 5.509 317 HA ALA 42 HA ALA 42 -13.305 6.035 7.015 318 1HB ALA 42 1HB ALA 42 -14.307 7.370 5.223 319 2HB ALA 42 2HB ALA 42 -12.714 8.041 5.631 320 3HB ALA 42 3HB ALA 42 -12.925 7.052 4.166 321 H THR 43 H THR 43 -11.904 4.271 4.318 322 HA THR 43 HA THR 43 -14.281 2.479 4.180 323 HB THR 43 HB THR 43 -12.439 3.439 1.934 324 HG1 THR 43 1HG THR 43 -14.903 4.356 2.921 325 1HG2 THR 43 1HG2 THR 43 -14.398 2.681 0.510 326 2HG2 THR 43 2HG2 THR 43 -13.429 1.385 1.218 327 3HG2 THR 43 3HG2 THR 43 -15.003 1.807 1.941 328 H GLU 44 H GLU 44 -11.639 2.433 5.785 329 HA GLU 44 HA GLU 44 -9.834 1.066 6.180 330 1HB GLU 44 2HB GLU 44 -12.012 -0.922 5.429 331 2HB GLU 44 3HB GLU 44 -10.534 -1.335 6.296 332 1HG GLU 44 2HG GLU 44 -11.130 0.237 8.119 333 2HG GLU 44 3HG GLU 44 -12.606 0.700 7.262 334 H THR 45 H THR 45 -9.600 2.177 3.579 335 HA THR 45 HA THR 45 -8.427 -0.021 1.958 336 HB THR 45 HB THR 45 -10.489 2.074 1.181 337 HG1 THR 45 1HG THR 45 -11.264 0.081 1.931 338 1HG2 THR 45 1HG2 THR 45 -10.329 1.292 -1.136 339 2HG2 THR 45 2HG2 THR 45 -8.826 2.082 -0.644 340 3HG2 THR 45 3HG2 THR 45 -8.920 0.308 -0.737 341 H VAL 46 H VAL 46 -6.726 0.601 0.630 342 HA VAL 46 HA VAL 46 -5.816 3.427 0.878 343 HB VAL 46 HB VAL 46 -4.666 2.131 2.521 344 1HG1 VAL 46 1HG1 VAL 46 -3.634 0.347 0.245 345 2HG1 VAL 46 2HG1 VAL 46 -3.163 0.243 1.948 346 3HG1 VAL 46 3HG1 VAL 46 -4.816 -0.159 1.462 347 1HG2 VAL 46 1HG2 VAL 46 -2.749 2.611 0.223 348 2HG2 VAL 46 2HG2 VAL 46 -3.405 3.903 1.229 349 3HG2 VAL 46 3HG2 VAL 46 -2.423 2.660 1.983 350 H ASN 47 H ASN 47 -4.652 4.215 -0.864 351 HA ASN 47 HA ASN 47 -4.843 2.627 -3.356 352 1HB ASN 47 2HB ASN 47 -6.577 4.386 -3.242 353 2HB ASN 47 3HB ASN 47 -5.327 5.614 -3.018 354 1HD2 ASN 47 1HD2 ASN 47 -4.313 6.453 -4.965 355 2HD2 ASN 47 2HD2 ASN 47 -4.944 5.958 -6.544 356 H VAL 48 H VAL 48 -2.909 2.497 -4.449 357 HA VAL 48 HA VAL 48 -0.791 4.477 -3.839 358 HB VAL 48 HB VAL 48 -0.364 2.696 -2.275 359 1HG1 VAL 48 1HG1 VAL 48 0.111 0.410 -2.910 360 2HG1 VAL 48 2HG1 VAL 48 -1.524 0.817 -3.438 361 3HG1 VAL 48 3HG1 VAL 48 -0.187 0.773 -4.620 362 1HG2 VAL 48 1HG2 VAL 48 1.549 2.556 -4.644 363 2HG2 VAL 48 2HG2 VAL 48 1.619 3.715 -3.290 364 3HG2 VAL 48 3HG2 VAL 48 1.902 1.996 -3.000 365 H ILE 49 H ILE 49 0.476 5.006 -5.515 366 HA ILE 49 HA ILE 49 -0.286 3.897 -8.171 367 HB ILE 49 HB ILE 49 0.875 6.640 -7.639 368 1HG1 ILE 49 2HG1 ILE 49 -1.772 7.036 -8.442 369 2HG1 ILE 49 3HG1 ILE 49 -1.920 5.726 -7.262 370 1HG2 ILE 49 1HG2 ILE 49 1.149 5.684 -9.927 371 2HG2 ILE 49 2HG2 ILE 49 -0.611 5.482 -10.031 372 3HG2 ILE 49 3HG2 ILE 49 0.095 7.104 -9.907 373 1HD1 ILE 49 1HD1 ILE 49 -0.537 8.400 -6.851 374 2HD1 ILE 49 2HD1 ILE 49 -2.123 7.926 -6.201 375 3HD1 ILE 49 3HD1 ILE 49 -0.655 7.108 -5.625 376 H TYR 50 H TYR 50 1.235 2.757 -9.183 377 HA TYR 50 HA TYR 50 4.088 3.331 -8.738 378 1HB TYR 50 2HB TYR 50 4.485 0.840 -8.368 379 2HB TYR 50 3HB TYR 50 3.840 1.710 -7.014 380 HD1 TYR 50 HD1 TYR 50 2.172 0.531 -5.832 381 HD2 TYR 50 HD2 TYR 50 2.555 -0.210 -10.067 382 HE1 TYR 50 HE1 TYR 50 0.616 -1.392 -5.678 383 HE2 TYR 50 HE2 TYR 50 0.802 -1.893 -9.946 384 HH TYR 50 HH TYR 50 -0.602 -3.113 -8.514 385 H ASP 51 H ASP 51 5.447 1.878 -10.089 386 HA ASP 51 HA ASP 51 4.273 1.793 -12.786 387 1HB ASP 51 2HB ASP 51 6.138 3.307 -12.148 388 2HB ASP 51 3HB ASP 51 7.157 1.940 -11.824 389 HA PRO 52 HA PRO 52 4.750 -2.688 -12.019 390 1HB PRO 52 2HB PRO 52 3.235 -3.709 -13.981 391 2HB PRO 52 3HB PRO 52 2.512 -2.690 -12.707 392 1HG PRO 52 2HG PRO 52 3.431 -1.792 -15.458 393 2HG PRO 52 3HG PRO 52 1.820 -1.539 -14.725 394 1HD PRO 52 2HD PRO 52 3.833 0.316 -14.617 395 2HD PRO 52 3HD PRO 52 2.650 0.141 -13.297 396 H ALA 53 H ALA 53 6.843 -1.162 -13.406 397 HA ALA 53 HA ALA 53 7.932 -3.172 -15.336 398 1HB ALA 53 1HB ALA 53 9.627 -1.437 -15.793 399 2HB ALA 53 2HB ALA 53 7.989 -0.819 -16.099 400 3HB ALA 53 3HB ALA 53 8.852 -0.342 -14.626 401 H GLU 54 H GLU 54 8.610 -1.164 -12.496 402 HA GLU 54 HA GLU 54 10.639 -3.011 -11.375 403 1HB GLU 54 2HB GLU 54 9.569 -0.229 -10.719 404 2HB GLU 54 3HB GLU 54 10.720 -1.088 -9.717 405 1HG GLU 54 2HG GLU 54 11.433 -0.792 -12.631 406 2HG GLU 54 3HG GLU 54 11.463 0.659 -11.617 407 H THR 55 H THR 55 7.457 -1.541 -10.691 408 HA THR 55 HA THR 55 7.211 -3.057 -8.168 409 HB THR 55 HB THR 55 6.652 -0.199 -8.675 410 HG1 THR 55 1HG THR 55 8.802 -1.714 -7.737 411 1HG2 THR 55 1HG2 THR 55 5.241 -0.921 -6.899 412 2HG2 THR 55 2HG2 THR 55 6.512 -1.952 -6.168 413 3HG2 THR 55 3HG2 THR 55 6.644 -0.162 -6.138 414 H GLY 56 H GLY 56 5.470 -4.136 -7.786 415 1HA GLY 56 2HA GLY 56 3.129 -2.633 -7.776 416 2HA GLY 56 3HA GLY 56 2.890 -4.022 -8.873 417 H THR 57 H THR 57 1.363 -4.514 -7.208 418 HA THR 57 HA THR 57 1.396 -5.181 -4.645 419 HB THR 57 HB THR 57 -0.535 -5.354 -5.826 420 HG1 THR 57 1HG THR 57 -0.011 -8.048 -5.196 421 1HG2 THR 57 1HG2 THR 57 -1.043 -7.137 -7.500 422 2HG2 THR 57 2HG2 THR 57 0.059 -5.885 -8.067 423 3HG2 THR 57 3HG2 THR 57 0.697 -7.482 -7.610 424 H ALA 58 H ALA 58 3.018 -7.221 -7.104 425 HA ALA 58 HA ALA 58 3.822 -9.408 -5.602 426 1HB ALA 58 1HB ALA 58 5.443 -7.805 -7.630 427 2HB ALA 58 2HB ALA 58 5.813 -9.451 -7.081 428 3HB ALA 58 3HB ALA 58 4.321 -9.137 -7.989 429 H ALA 59 H ALA 59 5.399 -6.160 -5.594 430 HA ALA 59 HA ALA 59 7.527 -7.118 -3.737 431 1HB ALA 59 1HB ALA 59 8.329 -4.786 -3.895 432 2HB ALA 59 2HB ALA 59 8.143 -5.492 -5.513 433 3HB ALA 59 3HB ALA 59 6.928 -4.352 -4.895 434 H ILE 60 H ILE 60 4.549 -5.385 -3.944 435 HA ILE 60 HA ILE 60 4.889 -3.912 -1.545 436 HB ILE 60 HB ILE 60 3.054 -4.082 -3.838 437 1HG1 ILE 60 2HG1 ILE 60 3.600 -1.728 -2.121 438 2HG1 ILE 60 3HG1 ILE 60 4.916 -2.401 -3.097 439 1HG2 ILE 60 1HG2 ILE 60 1.265 -4.531 -2.337 440 2HG2 ILE 60 2HG2 ILE 60 1.843 -3.340 -1.169 441 3HG2 ILE 60 3HG2 ILE 60 1.209 -2.812 -2.739 442 1HD1 ILE 60 1HD1 ILE 60 2.283 -1.382 -4.169 443 2HD1 ILE 60 2HD1 ILE 60 3.865 -0.592 -4.305 444 3HD1 ILE 60 3HD1 ILE 60 3.579 -2.129 -5.143 445 H GLN 61 H GLN 61 2.846 -6.826 -2.231 446 HA GLN 61 HA GLN 61 1.763 -7.031 0.423 447 1HB GLN 61 2HB GLN 61 2.342 -8.977 -1.796 448 2HB GLN 61 3HB GLN 61 2.238 -9.600 -0.145 449 1HG GLN 61 2HG GLN 61 0.126 -9.928 -0.806 450 2HG GLN 61 3HG GLN 61 -0.020 -8.403 0.060 451 1HE2 GLN 61 1HE2 GLN 61 0.607 -6.452 -1.709 452 2HE2 GLN 61 2HE2 GLN 61 -0.286 -6.657 -3.225 453 H GLU 62 H GLU 62 4.678 -8.479 -1.035 454 HA GLU 62 HA GLU 62 5.790 -9.641 1.102 455 1HB GLU 62 2HB GLU 62 6.577 -8.747 -1.565 456 2HB GLU 62 3HB GLU 62 7.868 -8.271 -0.513 457 1HG GLU 62 2HG GLU 62 8.227 -10.479 -1.501 458 2HG GLU 62 3HG GLU 62 8.024 -10.680 0.255 459 H LYS 63 H LYS 63 6.230 -6.132 0.368 460 HA LYS 63 HA LYS 63 7.723 -5.804 2.871 461 1HB LYS 63 2HB LYS 63 7.186 -4.219 0.504 462 2HB LYS 63 3HB LYS 63 6.831 -3.331 1.972 463 1HG LYS 63 2HG LYS 63 9.170 -3.082 1.282 464 2HG LYS 63 3HG LYS 63 9.089 -3.821 2.869 465 1HD LYS 63 2HD LYS 63 9.244 -5.621 0.412 466 2HD LYS 63 3HD LYS 63 10.646 -4.665 0.827 467 1HE LYS 63 2HE LYS 63 11.344 -6.282 2.138 468 2HE LYS 63 3HE LYS 63 10.116 -5.805 3.304 469 1HZ LYS 63 1HZ LYS 63 10.159 -8.179 2.742 470 2HZ LYS 63 2HZ LYS 63 8.694 -7.540 2.431 471 3HZ LYS 63 3HZ LYS 63 9.732 -7.851 1.197 472 H ILE 64 H ILE 64 4.330 -5.295 1.906 473 HA ILE 64 HA ILE 64 3.458 -3.915 4.134 474 HB ILE 64 HB ILE 64 2.108 -5.878 2.269 475 1HG1 ILE 64 2HG1 ILE 64 2.907 -3.446 1.639 476 2HG1 ILE 64 3HG1 ILE 64 1.323 -4.054 1.113 477 1HG2 ILE 64 1HG2 ILE 64 0.817 -6.108 4.253 478 2HG2 ILE 64 2HG2 ILE 64 0.865 -4.349 4.572 479 3HG2 ILE 64 3HG2 ILE 64 -0.034 -5.004 3.190 480 1HD1 ILE 64 1HD1 ILE 64 0.222 -2.824 2.888 481 2HD1 ILE 64 2HD1 ILE 64 1.823 -2.430 3.593 482 3HD1 ILE 64 3HD1 ILE 64 1.301 -1.716 2.067 483 H GLU 65 H GLU 65 3.751 -7.487 3.636 484 HA GLU 65 HA GLU 65 2.844 -8.444 6.128 485 1HB GLU 65 2HB GLU 65 4.889 -9.265 4.080 486 2HB GLU 65 3HB GLU 65 4.779 -10.167 5.608 487 1HG GLU 65 2HG GLU 65 2.237 -9.654 4.070 488 2HG GLU 65 3HG GLU 65 3.374 -10.861 3.461 489 H LYS 66 H LYS 66 5.995 -6.972 5.281 490 HA LYS 66 HA LYS 66 7.157 -7.595 7.852 491 1HB LYS 66 2HB LYS 66 8.107 -7.038 5.304 492 2HB LYS 66 3HB LYS 66 8.473 -5.553 6.167 493 1HG LYS 66 2HG LYS 66 9.246 -8.418 6.934 494 2HG LYS 66 3HG LYS 66 10.350 -7.226 6.251 495 1HD LYS 66 2HD LYS 66 8.998 -7.031 8.988 496 2HD LYS 66 3HD LYS 66 10.644 -7.579 8.685 497 1HE LYS 66 2HE LYS 66 11.241 -5.367 7.734 498 2HE LYS 66 3HE LYS 66 9.591 -4.783 8.012 499 1HZ LYS 66 1HZ LYS 66 11.077 -4.106 9.748 500 2HZ LYS 66 2HZ LYS 66 9.890 -5.079 10.335 501 3HZ LYS 66 3HZ LYS 66 11.420 -5.666 10.136 502 H LEU 67 H LEU 67 5.577 -4.780 6.295 503 HA LEU 67 HA LEU 67 5.999 -2.901 8.402 504 1HB LEU 67 2HB LEU 67 3.855 -3.346 6.308 505 2HB LEU 67 3HB LEU 67 3.557 -2.214 7.586 506 HG LEU 67 HG LEU 67 4.323 -1.184 5.569 507 1HD1 LEU 67 1HD1 LEU 67 6.471 -0.846 7.693 508 2HD1 LEU 67 2HD1 LEU 67 5.864 0.372 6.555 509 3HD1 LEU 67 3HD1 LEU 67 4.818 -0.212 7.864 510 1HD2 LEU 67 1HD2 LEU 67 6.668 -1.245 4.827 511 2HD2 LEU 67 2HD2 LEU 67 6.960 -2.633 5.893 512 3HD2 LEU 67 3HD2 LEU 67 5.779 -2.742 4.558 513 H GLY 68 H GLY 68 4.106 -5.864 8.250 514 1HA GLY 68 2HA GLY 68 3.649 -7.043 10.225 515 2HA GLY 68 3HA GLY 68 3.477 -5.541 11.139 516 H TYR 69 H TYR 69 2.022 -6.085 7.914 517 HA TYR 69 HA TYR 69 -0.701 -6.507 9.096 518 1HB TYR 69 2HB TYR 69 0.025 -4.264 7.158 519 2HB TYR 69 3HB TYR 69 -1.584 -4.648 7.757 520 HD1 TYR 69 HD1 TYR 69 1.749 -3.321 8.693 521 HD2 TYR 69 HD2 TYR 69 -2.366 -3.730 9.831 522 HE1 TYR 69 HE1 TYR 69 2.128 -1.759 10.559 523 HE2 TYR 69 HE2 TYR 69 -2.019 -2.102 11.673 524 HH TYR 69 HH TYR 69 -0.499 -0.790 12.801 525 H HIS 70 H HIS 70 -2.260 -6.899 7.338 526 HA HIS 70 HA HIS 70 -0.945 -8.290 5.028 527 1HB HIS 70 2HB HIS 70 -1.605 -10.169 6.078 528 2HB HIS 70 3HB HIS 70 -2.773 -9.339 7.100 529 HD1 HIS 70 1HD HIS 70 -2.760 -10.078 3.234 530 HD2 HIS 70 2HD HIS 70 -5.143 -9.916 6.691 531 HE1 HIS 70 1HE HIS 70 -5.086 -10.785 2.524 532 H VAL 71 H VAL 71 -1.547 -7.418 3.231 533 HA VAL 71 HA VAL 71 -4.071 -5.829 3.101 534 HB VAL 71 HB VAL 71 -1.976 -4.750 2.417 535 1HG1 VAL 71 1HG1 VAL 71 -0.840 -6.673 1.314 536 2HG1 VAL 71 2HG1 VAL 71 -2.058 -6.634 0.014 537 3HG1 VAL 71 3HG1 VAL 71 -0.957 -5.266 0.245 538 1HG2 VAL 71 1HG2 VAL 71 -4.079 -3.908 1.682 539 2HG2 VAL 71 2HG2 VAL 71 -2.830 -3.692 0.471 540 3HG2 VAL 71 3HG2 VAL 71 -4.053 -4.971 0.252 541 H VAL 72 H VAL 72 -5.717 -6.295 1.609 542 HA VAL 72 HA VAL 72 -5.666 -9.117 0.551 543 HB VAL 72 HB VAL 72 -8.109 -8.823 0.270 544 1HG1 VAL 72 1HG1 VAL 72 -7.350 -10.005 2.250 545 2HG1 VAL 72 2HG1 VAL 72 -7.107 -8.458 3.113 546 3HG1 VAL 72 3HG1 VAL 72 -8.740 -8.973 2.647 547 1HG2 VAL 72 1HG2 VAL 72 -7.918 -6.457 2.111 548 2HG2 VAL 72 2HG2 VAL 72 -8.091 -6.252 0.342 549 3HG2 VAL 72 3HG2 VAL 72 -9.341 -7.092 1.281 550 H ILE 73 H ILE 73 -6.564 -9.415 -1.643 551 HA ILE 73 HA ILE 73 -6.533 -6.975 -3.366 552 HB ILE 73 HB ILE 73 -5.467 -9.729 -4.092 553 1HG1 ILE 73 2HG1 ILE 73 -3.941 -8.540 -2.507 554 2HG1 ILE 73 3HG1 ILE 73 -3.270 -8.856 -4.088 555 1HG2 ILE 73 1HG2 ILE 73 -5.611 -7.100 -5.640 556 2HG2 ILE 73 2HG2 ILE 73 -4.629 -8.499 -6.136 557 3HG2 ILE 73 3HG2 ILE 73 -6.388 -8.624 -6.067 558 1HD1 ILE 73 1HD1 ILE 73 -3.505 -6.528 -4.756 559 2HD1 ILE 73 2HD1 ILE 73 -4.448 -6.144 -3.304 560 3HD1 ILE 73 3HD1 ILE 73 -2.739 -6.582 -3.164 561 H GLU 74 H GLU 74 -8.757 -7.048 -2.650 562 HA GLU 74 HA GLU 74 -10.320 -8.540 -4.687 563 1HB GLU 74 2HB GLU 74 -10.626 -8.897 -1.870 564 2HB GLU 74 3HB GLU 74 -11.988 -7.900 -2.381 565 1HG GLU 74 2HG GLU 74 -12.594 -9.546 -4.095 566 2HG GLU 74 3HG GLU 74 -11.118 -10.480 -3.769 567 H GLY 75 H GLY 75 -9.988 -6.860 -6.051 568 1HA GLY 75 2HA GLY 75 -11.720 -4.660 -6.138 569 2HA GLY 75 3HA GLY 75 -10.219 -4.101 -5.370 570 H ARG 76 H ARG 76 -11.680 -5.284 -8.309 571 HA ARG 76 HA ARG 76 -9.230 -4.697 -9.891 572 1HB ARG 76 2HB ARG 76 -11.630 -6.375 -10.740 573 2HB ARG 76 3HB ARG 76 -10.191 -5.979 -11.676 574 1HG ARG 76 2HG ARG 76 -9.463 -8.000 -11.046 575 2HG ARG 76 3HG ARG 76 -8.982 -7.188 -9.556 576 1HD ARG 76 2HD ARG 76 -11.070 -7.867 -8.456 577 2HD ARG 76 3HD ARG 76 -11.710 -8.557 -9.936 578 HE ARG 76 HE ARG 76 -9.872 -9.762 -8.056 579 1HH1 ARG 76 2HH2 ARG 76 -10.743 -9.714 -11.462 580 2HH1 ARG 76 1HH2 ARG 76 -10.225 -11.336 -11.807 581 1HH2 ARG 76 2HH1 ARG 76 -9.161 -11.928 -8.450 582 2HH2 ARG 76 1HH1 ARG 76 -9.285 -12.620 -10.034 Start of MODEL 21 1 1H MET 1 H1 MET 1 9.689 -1.678 -24.399 2 2H MET 1 H2 MET 1 10.834 -0.689 -25.121 3 3H MET 1 H3 MET 1 10.582 -0.675 -23.472 4 HA MET 1 HA MET 1 9.321 1.120 -23.997 5 1HB MET 1 2HB MET 1 8.557 -0.369 -26.566 6 2HB MET 1 3HB MET 1 7.925 1.204 -26.065 7 1HG MET 1 2HG MET 1 9.640 1.669 -27.635 8 2HG MET 1 3HG MET 1 10.264 2.099 -26.045 9 1HE MET 1 1HE MET 1 12.666 1.666 -25.554 10 2HE MET 1 2HE MET 1 13.700 0.902 -26.783 11 3HE MET 1 3HE MET 1 12.657 2.274 -27.230 12 H LEU 2 H LEU 2 6.759 1.277 -24.063 13 HA LEU 2 HA LEU 2 4.714 0.595 -23.560 14 1HB LEU 2 2HB LEU 2 5.360 -1.278 -25.238 15 2HB LEU 2 3HB LEU 2 5.527 -2.314 -23.822 16 HG LEU 2 HG LEU 2 3.106 -1.544 -23.220 17 1HD1 LEU 2 1HD1 LEU 2 3.205 -0.831 -26.195 18 2HD1 LEU 2 2HD1 LEU 2 1.736 -0.934 -25.207 19 3HD1 LEU 2 3HD1 LEU 2 2.934 0.321 -24.873 20 1HD2 LEU 2 1HD2 LEU 2 2.163 -3.295 -24.699 21 2HD2 LEU 2 2HD2 LEU 2 3.661 -3.291 -25.656 22 3HD2 LEU 2 3HD2 LEU 2 3.686 -3.812 -23.955 23 H SER 3 H SER 3 5.360 1.525 -21.465 24 HA SER 3 HA SER 3 4.599 -0.331 -19.327 25 1HB SER 3 2HB SER 3 6.879 1.688 -19.039 26 2HB SER 3 3HB SER 3 6.225 0.640 -17.771 27 HG SER 3 HG SER 3 8.055 -0.336 -18.579 28 H GLU 4 H GLU 4 3.292 0.885 -17.727 29 HA GLU 4 HA GLU 4 3.357 3.690 -17.734 30 1HB GLU 4 2HB GLU 4 1.478 2.674 -19.578 31 2HB GLU 4 3HB GLU 4 0.519 2.831 -18.092 32 1HG GLU 4 2HG GLU 4 1.489 5.120 -17.822 33 2HG GLU 4 3HG GLU 4 2.252 4.946 -19.413 34 H GLN 5 H GLN 5 2.371 4.459 -15.830 35 HA GLN 5 HA GLN 5 2.322 2.447 -13.700 36 1HB GLN 5 2HB GLN 5 2.497 4.351 -12.204 37 2HB GLN 5 3HB GLN 5 3.690 4.462 -13.503 38 1HG GLN 5 2HG GLN 5 1.969 6.052 -14.668 39 2HG GLN 5 3HG GLN 5 1.134 6.080 -13.108 40 1HE2 GLN 5 1HE2 GLN 5 3.367 6.031 -11.297 41 2HE2 GLN 5 2HE2 GLN 5 4.391 7.379 -11.639 42 H LYS 6 H LYS 6 0.715 2.585 -11.936 43 HA LYS 6 HA LYS 6 -1.846 3.775 -12.570 44 1HB LYS 6 2HB LYS 6 -1.303 0.969 -13.226 45 2HB LYS 6 3HB LYS 6 -2.582 1.071 -12.027 46 1HG LYS 6 2HG LYS 6 -2.643 2.745 -14.555 47 2HG LYS 6 3HG LYS 6 -3.213 1.083 -14.470 48 1HD LYS 6 2HD LYS 6 -4.793 1.708 -12.622 49 2HD LYS 6 3HD LYS 6 -4.180 3.377 -12.712 50 1HE LYS 6 2HE LYS 6 -5.075 3.688 -14.936 51 2HE LYS 6 3HE LYS 6 -5.713 2.033 -14.939 52 1HZ LYS 6 1HZ LYS 6 -7.153 2.620 -13.120 53 2HZ LYS 6 2HZ LYS 6 -6.554 4.118 -12.967 54 3HZ LYS 6 3HZ LYS 6 -7.370 3.717 -14.321 55 H GLU 7 H GLU 7 -3.314 3.506 -11.034 56 HA GLU 7 HA GLU 7 -2.570 3.643 -8.212 57 1HB GLU 7 2HB GLU 7 -5.225 4.195 -8.300 58 2HB GLU 7 3HB GLU 7 -4.047 5.432 -8.715 59 1HG GLU 7 2HG GLU 7 -4.345 5.127 -11.075 60 2HG GLU 7 3HG GLU 7 -5.261 3.587 -10.789 61 H ILE 8 H ILE 8 -2.610 1.674 -7.102 62 HA ILE 8 HA ILE 8 -4.707 -0.271 -7.761 63 HB ILE 8 HB ILE 8 -2.048 -0.629 -7.239 64 1HG1 ILE 8 2HG1 ILE 8 -3.294 -2.376 -8.158 65 2HG1 ILE 8 3HG1 ILE 8 -2.524 -2.985 -6.685 66 1HG2 ILE 8 1HG2 ILE 8 -3.329 -1.032 -4.509 67 2HG2 ILE 8 2HG2 ILE 8 -1.708 -1.523 -4.992 68 3HG2 ILE 8 3HG2 ILE 8 -2.137 0.194 -4.972 69 1HD1 ILE 8 1HD1 ILE 8 -4.705 -2.486 -5.474 70 2HD1 ILE 8 2HD1 ILE 8 -5.416 -2.190 -7.077 71 3HD1 ILE 8 3HD1 ILE 8 -4.775 -3.796 -6.680 72 H ALA 9 H ALA 9 -6.142 -0.749 -5.991 73 HA ALA 9 HA ALA 9 -6.133 0.959 -3.582 74 1HB ALA 9 1HB ALA 9 -7.566 2.197 -5.129 75 2HB ALA 9 2HB ALA 9 -8.486 0.721 -5.494 76 3HB ALA 9 3HB ALA 9 -8.548 1.429 -3.866 77 H MET 10 H MET 10 -6.382 -0.381 -1.837 78 HA MET 10 HA MET 10 -7.983 -2.842 -2.053 79 1HB MET 10 2HB MET 10 -6.073 -4.283 -1.620 80 2HB MET 10 3HB MET 10 -5.927 -3.468 -3.175 81 1HG MET 10 2HG MET 10 -4.480 -1.712 -1.984 82 2HG MET 10 3HG MET 10 -4.531 -2.804 -0.590 83 1HE MET 10 1HE MET 10 -0.911 -2.841 -2.326 84 2HE MET 10 2HE MET 10 -2.032 -1.469 -2.375 85 3HE MET 10 3HE MET 10 -1.768 -2.346 -0.853 86 H GLN 11 H GLN 11 -7.757 -4.122 -0.009 87 HA GLN 11 HA GLN 11 -8.208 -2.263 2.261 88 1HB GLN 11 2HB GLN 11 -9.127 -5.141 1.900 89 2HB GLN 11 3HB GLN 11 -9.571 -4.041 3.183 90 1HG GLN 11 2HG GLN 11 -11.364 -4.386 1.555 91 2HG GLN 11 3HG GLN 11 -10.902 -2.702 1.699 92 1HE2 GLN 11 1HE2 GLN 11 -9.509 -5.470 -0.216 93 2HE2 GLN 11 2HE2 GLN 11 -9.709 -4.686 -1.775 94 H VAL 12 H VAL 12 -7.193 -2.591 4.269 95 HA VAL 12 HA VAL 12 -5.033 -4.639 4.323 96 HB VAL 12 HB VAL 12 -4.769 -2.096 5.890 97 1HG1 VAL 12 1HG1 VAL 12 -2.402 -2.498 5.421 98 2HG1 VAL 12 2HG1 VAL 12 -3.143 -3.937 6.153 99 3HG1 VAL 12 3HG1 VAL 12 -2.822 -3.877 4.397 100 1HG2 VAL 12 1HG2 VAL 12 -4.170 -2.376 2.918 101 2HG2 VAL 12 2HG2 VAL 12 -5.246 -1.169 3.680 102 3HG2 VAL 12 3HG2 VAL 12 -3.501 -1.099 3.980 103 H SER 13 H SER 13 -4.727 -5.784 6.203 104 HA SER 13 HA SER 13 -6.921 -5.641 8.188 105 1HB SER 13 2HB SER 13 -5.943 -7.752 7.129 106 2HB SER 13 3HB SER 13 -4.539 -7.496 8.188 107 HG SER 13 HG SER 13 -6.292 -8.847 9.058 108 H GLY 14 H GLY 14 -6.639 -4.211 9.819 109 1HA GLY 14 2HA GLY 14 -5.610 -3.413 11.781 110 2HA GLY 14 3HA GLY 14 -4.042 -4.001 11.240 111 H MET 15 H MET 15 -6.559 -1.540 10.589 112 HA MET 15 HA MET 15 -4.531 0.486 9.973 113 1HB MET 15 2HB MET 15 -6.058 1.373 8.255 114 2HB MET 15 3HB MET 15 -5.435 -0.239 7.858 115 1HG MET 15 2HG MET 15 -7.625 -1.144 8.874 116 2HG MET 15 3HG MET 15 -8.191 0.529 8.812 117 1HE MET 15 1HE MET 15 -9.796 -2.055 6.130 118 2HE MET 15 2HE MET 15 -8.978 -2.514 7.623 119 3HE MET 15 3HE MET 15 -10.124 -1.172 7.655 120 H THR 16 H THR 16 -6.154 2.653 9.987 121 HA THR 16 HA THR 16 -6.931 4.133 11.509 122 HB THR 16 HB THR 16 -8.907 3.163 10.326 123 HG1 THR 16 1HG THR 16 -10.355 4.176 11.817 124 1HG2 THR 16 1HG2 THR 16 -9.473 1.645 12.896 125 2HG2 THR 16 2HG2 THR 16 -10.610 1.947 11.578 126 3HG2 THR 16 3HG2 THR 16 -9.182 0.962 11.285 127 H CYS 17 H CYS 17 -4.933 2.770 12.734 128 HA CYS 17 HA CYS 17 -5.866 2.761 15.565 129 1HB CYS 17 2HB CYS 17 -5.366 0.426 14.148 130 2HB CYS 17 3HB CYS 17 -3.798 0.718 14.918 131 HG CYS 17 HG CYS 17 -6.810 0.656 16.221 132 H ALA 18 H ALA 18 -5.005 4.947 14.654 133 HA ALA 18 HA ALA 18 -3.605 6.663 15.050 134 1HB ALA 18 1HB ALA 18 -1.686 6.572 16.449 135 2HB ALA 18 2HB ALA 18 -2.970 5.602 17.192 136 3HB ALA 18 3HB ALA 18 -1.598 4.811 16.381 137 H ALA 19 H ALA 19 -3.684 6.536 12.730 138 HA ALA 19 HA ALA 19 -2.740 6.879 10.709 139 1HB ALA 19 1HB ALA 19 -0.148 7.212 12.275 140 2HB ALA 19 2HB ALA 19 -0.531 7.884 10.681 141 3HB ALA 19 3HB ALA 19 -1.410 8.452 12.110 142 H CYS 20 H CYS 20 -2.971 4.138 11.433 143 HA CYS 20 HA CYS 20 -0.494 2.741 11.066 144 1HB CYS 20 2HB CYS 20 -3.375 1.845 11.151 145 2HB CYS 20 3HB CYS 20 -2.074 0.715 10.671 146 HG CYS 20 HG CYS 20 -2.263 0.106 13.004 147 H ALA 21 H ALA 21 -3.354 2.682 8.828 148 HA ALA 21 HA ALA 21 -1.977 1.493 6.672 149 1HB ALA 21 1HB ALA 21 -4.308 3.352 6.615 150 2HB ALA 21 2HB ALA 21 -3.731 2.393 5.235 151 3HB ALA 21 3HB ALA 21 -4.345 1.571 6.677 152 H ALA 22 H ALA 22 -2.170 4.877 7.645 153 HA ALA 22 HA ALA 22 -0.883 6.030 5.395 154 1HB ALA 22 1HB ALA 22 -0.954 6.763 8.367 155 2HB ALA 22 2HB ALA 22 -0.297 7.833 7.097 156 3HB ALA 22 3HB ALA 22 -2.016 7.370 7.098 157 H ARG 23 H ARG 23 0.584 4.882 8.521 158 HA ARG 23 HA ARG 23 3.321 5.263 7.694 159 1HB ARG 23 2HB ARG 23 2.074 3.322 9.669 160 2HB ARG 23 3HB ARG 23 3.802 3.632 9.536 161 1HG ARG 23 2HG ARG 23 1.933 5.971 10.037 162 2HG ARG 23 3HG ARG 23 2.268 4.819 11.337 163 1HD ARG 23 2HD ARG 23 4.731 5.264 10.965 164 2HD ARG 23 3HD ARG 23 4.250 6.567 9.841 165 HE ARG 23 HE ARG 23 2.822 6.843 12.293 166 1HH1 ARG 23 2HH2 ARG 23 6.099 7.220 11.074 167 2HH1 ARG 23 1HH2 ARG 23 6.624 8.303 12.329 168 1HH2 ARG 23 2HH1 ARG 23 3.478 8.233 14.009 169 2HH2 ARG 23 1HH1 ARG 23 5.076 8.897 14.042 170 H ILE 24 H ILE 24 1.204 2.393 7.597 171 HA ILE 24 HA ILE 24 2.917 0.485 6.545 172 HB ILE 24 HB ILE 24 -0.022 1.008 5.998 173 1HG1 ILE 24 2HG1 ILE 24 1.180 -1.205 7.631 174 2HG1 ILE 24 3HG1 ILE 24 0.880 0.339 8.403 175 1HG2 ILE 24 1HG2 ILE 24 0.796 -0.340 4.156 176 2HG2 ILE 24 2HG2 ILE 24 1.635 -1.430 5.288 177 3HG2 ILE 24 3HG2 ILE 24 -0.136 -1.369 5.229 178 1HD1 ILE 24 1HD1 ILE 24 -1.381 -1.211 7.036 179 2HD1 ILE 24 2HD1 ILE 24 -0.949 -1.418 8.726 180 3HD1 ILE 24 3HD1 ILE 24 -1.524 0.114 8.186 181 H GLU 25 H GLU 25 0.774 2.694 4.649 182 HA GLU 25 HA GLU 25 1.930 1.811 2.235 183 1HB GLU 25 2HB GLU 25 -0.346 3.256 2.913 184 2HB GLU 25 3HB GLU 25 0.659 4.511 2.231 185 1HG GLU 25 2HG GLU 25 -0.596 3.584 0.386 186 2HG GLU 25 3HG GLU 25 1.053 2.989 0.201 187 H LYS 26 H LYS 26 2.637 4.646 4.365 188 HA LYS 26 HA LYS 26 4.379 5.964 2.585 189 1HB LYS 26 2HB LYS 26 3.990 5.888 5.567 190 2HB LYS 26 3HB LYS 26 5.428 6.647 4.938 191 1HG LYS 26 2HG LYS 26 2.663 7.389 3.892 192 2HG LYS 26 3HG LYS 26 3.380 8.137 5.326 193 1HD LYS 26 2HD LYS 26 5.418 8.759 3.939 194 2HD LYS 26 3HD LYS 26 4.615 8.108 2.518 195 1HE LYS 26 2HE LYS 26 4.361 10.483 2.464 196 2HE LYS 26 3HE LYS 26 2.772 9.765 2.760 197 1HZ LYS 26 1HZ LYS 26 3.221 11.673 4.155 198 2HZ LYS 26 2HZ LYS 26 3.021 10.332 5.079 199 3HZ LYS 26 3HZ LYS 26 4.531 10.942 4.822 200 H GLY 27 H GLY 27 4.823 3.120 4.650 201 1HA GLY 27 2HA GLY 27 7.608 2.685 4.238 202 2HA GLY 27 3HA GLY 27 6.350 1.454 4.415 203 H LEU 28 H LEU 28 4.742 1.751 2.167 204 HA LEU 28 HA LEU 28 6.384 0.654 0.078 205 1HB LEU 28 2HB LEU 28 3.560 1.729 -0.034 206 2HB LEU 28 3HB LEU 28 4.366 0.822 -1.310 207 HG LEU 28 HG LEU 28 3.880 -0.302 1.468 208 1HD1 LEU 28 1HD1 LEU 28 2.316 -0.304 -1.115 209 2HD1 LEU 28 2HD1 LEU 28 2.222 -1.677 0.000 210 3HD1 LEU 28 3HD1 LEU 28 1.803 -0.045 0.549 211 1HD2 LEU 28 1HD2 LEU 28 5.734 -1.474 0.703 212 2HD2 LEU 28 2HD2 LEU 28 4.403 -2.484 0.145 213 3HD2 LEU 28 3HD2 LEU 28 5.264 -1.429 -0.991 214 H LYS 29 H LYS 29 5.251 3.964 0.698 215 HA LYS 29 HA LYS 29 6.051 5.120 -1.758 216 1HB LYS 29 2HB LYS 29 4.811 6.468 -0.350 217 2HB LYS 29 3HB LYS 29 5.823 6.179 1.013 218 1HG LYS 29 2HG LYS 29 6.281 8.361 0.527 219 2HG LYS 29 3HG LYS 29 7.693 7.488 -0.006 220 1HD LYS 29 2HD LYS 29 7.174 9.123 -1.663 221 2HD LYS 29 3HD LYS 29 6.751 7.550 -2.370 222 1HE LYS 29 2HE LYS 29 4.412 7.890 -1.992 223 2HE LYS 29 3HE LYS 29 4.675 9.226 -0.877 224 1HZ LYS 29 1HZ LYS 29 5.061 9.350 -3.793 225 2HZ LYS 29 2HZ LYS 29 3.916 10.057 -2.860 226 3HZ LYS 29 3HZ LYS 29 5.475 10.566 -2.739 227 H ARG 30 H ARG 30 8.117 3.588 0.629 228 HA ARG 30 HA ARG 30 10.510 4.851 -0.545 229 1HB ARG 30 2HB ARG 30 9.931 3.382 1.920 230 2HB ARG 30 3HB ARG 30 11.241 2.619 1.058 231 1HG ARG 30 2HG ARG 30 12.428 4.173 2.277 232 2HG ARG 30 3HG ARG 30 12.154 5.121 0.823 233 1HD ARG 30 2HD ARG 30 9.874 5.750 2.186 234 2HD ARG 30 3HD ARG 30 10.890 5.274 3.548 235 HE ARG 30 HE ARG 30 11.769 7.286 1.496 236 1HH1 ARG 30 2HH2 ARG 30 11.124 6.652 4.930 237 2HH1 ARG 30 1HH2 ARG 30 11.536 8.253 5.445 238 1HH2 ARG 30 2HH1 ARG 30 12.253 9.416 2.165 239 2HH2 ARG 30 1HH1 ARG 30 12.186 9.854 3.839 240 H MET 31 H MET 31 8.493 2.205 -1.500 241 HA MET 31 HA MET 31 10.669 0.496 -2.292 242 1HB MET 31 2HB MET 31 7.676 0.389 -2.786 243 2HB MET 31 3HB MET 31 8.785 -0.812 -3.437 244 1HG MET 31 2HG MET 31 8.605 -0.113 -0.487 245 2HG MET 31 3HG MET 31 7.753 -1.466 -1.227 246 1HE MET 31 1HE MET 31 8.764 -3.750 -1.787 247 2HE MET 31 2HE MET 31 9.626 -2.953 -3.127 248 3HE MET 31 3HE MET 31 10.503 -4.033 -2.025 249 HA PRO 32 HA PRO 32 11.720 2.390 -6.090 250 1HB PRO 32 2HB PRO 32 12.905 0.338 -7.467 251 2HB PRO 32 3HB PRO 32 13.625 1.081 -6.013 252 1HG PRO 32 2HG PRO 32 11.943 -1.440 -6.150 253 2HG PRO 32 3HG PRO 32 13.532 -1.234 -5.361 254 1HD PRO 32 2HD PRO 32 11.244 -1.062 -3.939 255 2HD PRO 32 3HD PRO 32 12.578 0.085 -3.614 256 H GLY 33 H GLY 33 9.685 2.942 -7.017 257 1HA GLY 33 2HA GLY 33 9.014 2.599 -9.451 258 2HA GLY 33 3HA GLY 33 8.439 1.020 -8.931 259 H VAL 34 H VAL 34 7.928 2.592 -6.154 260 HA VAL 34 HA VAL 34 5.183 3.257 -6.613 261 HB VAL 34 HB VAL 34 6.347 2.549 -4.473 262 1HG1 VAL 34 1HG1 VAL 34 8.150 4.471 -4.842 263 2HG1 VAL 34 2HG1 VAL 34 6.958 5.484 -4.023 264 3HG1 VAL 34 3HG1 VAL 34 7.620 4.031 -3.237 265 1HG2 VAL 34 1HG2 VAL 34 4.789 3.731 -3.070 266 2HG2 VAL 34 2HG2 VAL 34 4.602 5.038 -4.259 267 3HG2 VAL 34 3HG2 VAL 34 4.014 3.403 -4.618 268 H THR 35 H THR 35 4.177 5.216 -6.825 269 HA THR 35 HA THR 35 5.871 7.613 -7.253 270 HB THR 35 HB THR 35 3.174 7.921 -8.312 271 HG1 THR 35 1HG THR 35 4.794 5.773 -9.223 272 1HG2 THR 35 1HG2 THR 35 5.286 9.268 -8.799 273 2HG2 THR 35 2HG2 THR 35 5.895 7.875 -9.720 274 3HG2 THR 35 3HG2 THR 35 4.410 8.730 -10.223 275 H ASP 36 H ASP 36 2.559 6.652 -6.010 276 HA ASP 36 HA ASP 36 3.169 8.178 -3.705 277 1HB ASP 36 2HB ASP 36 2.528 10.045 -5.375 278 2HB ASP 36 3HB ASP 36 0.889 9.380 -5.319 279 H ALA 37 H ALA 37 1.727 8.255 -1.997 280 HA ALA 37 HA ALA 37 -0.061 5.839 -1.986 281 1HB ALA 37 1HB ALA 37 0.511 5.725 0.404 282 2HB ALA 37 2HB ALA 37 1.945 5.537 -0.631 283 3HB ALA 37 3HB ALA 37 1.640 7.078 0.212 284 H ASN 38 H ASN 38 -2.110 6.025 -1.055 285 HA ASN 38 HA ASN 38 -3.040 8.695 -0.088 286 1HB ASN 38 2HB ASN 38 -4.093 7.104 -2.465 287 2HB ASN 38 3HB ASN 38 -4.953 8.450 -1.711 288 1HD2 ASN 38 1HD2 ASN 38 -3.667 10.621 -1.635 289 2HD2 ASN 38 2HD2 ASN 38 -2.615 10.920 -3.008 290 H VAL 39 H VAL 39 -3.620 7.962 1.938 291 HA VAL 39 HA VAL 39 -4.952 5.382 2.289 292 HB VAL 39 HB VAL 39 -3.212 6.225 3.814 293 1HG1 VAL 39 1HG1 VAL 39 -3.670 7.949 5.459 294 2HG1 VAL 39 2HG1 VAL 39 -3.833 8.659 3.851 295 3HG1 VAL 39 3HG1 VAL 39 -5.279 8.246 4.793 296 1HG2 VAL 39 1HG2 VAL 39 -4.343 5.589 5.883 297 2HG2 VAL 39 2HG2 VAL 39 -5.922 5.822 5.107 298 3HG2 VAL 39 3HG2 VAL 39 -4.841 4.536 4.536 299 H ASN 40 H ASN 40 -7.122 4.958 2.585 300 HA ASN 40 HA ASN 40 -8.996 7.284 2.782 301 1HB ASN 40 2HB ASN 40 -8.752 5.109 0.686 302 2HB ASN 40 3HB ASN 40 -10.376 5.542 1.222 303 1HD2 ASN 40 1HD2 ASN 40 -9.568 5.893 -1.430 304 2HD2 ASN 40 2HD2 ASN 40 -9.622 7.619 -1.737 305 H LEU 41 H LEU 41 -8.611 6.571 5.073 306 HA LEU 41 HA LEU 41 -9.667 4.058 5.951 307 1HB LEU 41 2HB LEU 41 -9.525 6.645 7.552 308 2HB LEU 41 3HB LEU 41 -9.697 4.998 8.174 309 HG LEU 41 HG LEU 41 -7.276 6.257 6.857 310 1HD1 LEU 41 1HD1 LEU 41 -7.566 4.692 9.432 311 2HD1 LEU 41 2HD1 LEU 41 -6.153 5.614 8.907 312 3HD1 LEU 41 3HD1 LEU 41 -7.647 6.469 9.353 313 1HD2 LEU 41 1HD2 LEU 41 -7.823 3.289 7.386 314 2HD2 LEU 41 2HD2 LEU 41 -7.384 4.028 5.827 315 3HD2 LEU 41 3HD2 LEU 41 -6.217 3.982 7.151 316 H ALA 42 H ALA 42 -11.287 6.964 4.950 317 HA ALA 42 HA ALA 42 -13.837 6.583 6.168 318 1HB ALA 42 1HB ALA 42 -14.653 7.899 4.244 319 2HB ALA 42 2HB ALA 42 -13.181 8.624 4.922 320 3HB ALA 42 3HB ALA 42 -13.097 7.680 3.415 321 H THR 43 H THR 43 -12.098 4.832 3.674 322 HA THR 43 HA THR 43 -14.481 3.152 3.065 323 HB THR 43 HB THR 43 -12.038 3.759 1.344 324 HG1 THR 43 1HG THR 43 -14.564 5.012 1.503 325 1HG2 THR 43 1HG2 THR 43 -14.742 2.504 0.743 326 2HG2 THR 43 2HG2 THR 43 -13.649 3.145 -0.509 327 3HG2 THR 43 3HG2 THR 43 -13.129 1.793 0.502 328 H GLU 44 H GLU 44 -12.060 3.062 5.217 329 HA GLU 44 HA GLU 44 -10.487 1.583 5.922 330 1HB GLU 44 2HB GLU 44 -12.973 -0.046 5.254 331 2HB GLU 44 3HB GLU 44 -11.609 -0.760 6.079 332 1HG GLU 44 2HG GLU 44 -11.726 1.107 7.800 333 2HG GLU 44 3HG GLU 44 -13.242 1.620 7.040 334 H THR 45 H THR 45 -9.566 2.356 3.515 335 HA THR 45 HA THR 45 -8.213 -0.002 2.513 336 HB THR 45 HB THR 45 -10.623 1.102 1.175 337 HG1 THR 45 1HG THR 45 -10.346 -0.932 0.080 338 1HG2 THR 45 1HG2 THR 45 -9.884 1.018 -1.118 339 2HG2 THR 45 2HG2 THR 45 -9.036 2.324 -0.283 340 3HG2 THR 45 3HG2 THR 45 -8.203 0.788 -0.637 341 H VAL 46 H VAL 46 -6.542 0.559 1.019 342 HA VAL 46 HA VAL 46 -5.742 3.428 1.127 343 HB VAL 46 HB VAL 46 -4.567 2.100 2.810 344 1HG1 VAL 46 1HG1 VAL 46 -3.361 0.532 0.468 345 2HG1 VAL 46 2HG1 VAL 46 -2.956 0.360 2.180 346 3HG1 VAL 46 3HG1 VAL 46 -4.556 -0.124 1.597 347 1HG2 VAL 46 1HG2 VAL 46 -2.757 2.931 0.514 348 2HG2 VAL 46 2HG2 VAL 46 -3.427 4.033 1.723 349 3HG2 VAL 46 3HG2 VAL 46 -2.329 2.761 2.236 350 H ASN 47 H ASN 47 -4.685 4.174 -0.684 351 HA ASN 47 HA ASN 47 -4.697 2.409 -3.057 352 1HB ASN 47 2HB ASN 47 -6.492 4.021 -3.279 353 2HB ASN 47 3HB ASN 47 -5.454 5.345 -2.764 354 1HD2 ASN 47 1HD2 ASN 47 -3.555 5.939 -4.275 355 2HD2 ASN 47 2HD2 ASN 47 -3.873 5.709 -5.981 356 H VAL 48 H VAL 48 -2.865 2.500 -4.356 357 HA VAL 48 HA VAL 48 -0.893 4.556 -3.776 358 HB VAL 48 HB VAL 48 -0.213 2.933 -2.150 359 1HG1 VAL 48 1HG1 VAL 48 0.028 0.919 -4.422 360 2HG1 VAL 48 2HG1 VAL 48 0.620 0.694 -2.767 361 3HG1 VAL 48 3HG1 VAL 48 -1.112 0.862 -3.052 362 1HG2 VAL 48 1HG2 VAL 48 2.110 2.599 -2.815 363 2HG2 VAL 48 2HG2 VAL 48 1.699 2.905 -4.514 364 3HG2 VAL 48 3HG2 VAL 48 1.552 4.202 -3.305 365 H ILE 49 H ILE 49 0.114 5.219 -5.488 366 HA ILE 49 HA ILE 49 -0.457 4.022 -8.114 367 HB ILE 49 HB ILE 49 0.720 6.696 -7.297 368 1HG1 ILE 49 2HG1 ILE 49 -1.946 6.306 -8.673 369 2HG1 ILE 49 3HG1 ILE 49 -1.860 6.161 -6.915 370 1HG2 ILE 49 1HG2 ILE 49 0.455 7.311 -9.689 371 2HG2 ILE 49 2HG2 ILE 49 1.529 5.924 -9.539 372 3HG2 ILE 49 3HG2 ILE 49 -0.141 5.679 -10.054 373 1HD1 ILE 49 1HD1 ILE 49 -0.965 8.619 -8.465 374 2HD1 ILE 49 2HD1 ILE 49 -2.487 8.425 -7.574 375 3HD1 ILE 49 3HD1 ILE 49 -0.944 8.404 -6.699 376 H TYR 50 H TYR 50 1.097 2.840 -9.098 377 HA TYR 50 HA TYR 50 3.947 3.406 -8.592 378 1HB TYR 50 2HB TYR 50 4.417 0.964 -8.239 379 2HB TYR 50 3HB TYR 50 3.681 1.739 -6.882 380 HD1 TYR 50 HD1 TYR 50 2.781 -0.248 -10.013 381 HD2 TYR 50 HD2 TYR 50 1.862 0.574 -5.879 382 HE1 TYR 50 HE1 TYR 50 1.069 -1.978 -10.067 383 HE2 TYR 50 HE2 TYR 50 0.354 -1.395 -5.863 384 HH TYR 50 HH TYR 50 -0.461 -3.194 -8.817 385 H ASP 51 H ASP 51 5.361 1.887 -9.974 386 HA ASP 51 HA ASP 51 4.132 1.770 -12.652 387 1HB ASP 51 2HB ASP 51 5.972 3.334 -12.137 388 2HB ASP 51 3HB ASP 51 7.044 1.969 -11.864 389 HA PRO 52 HA PRO 52 4.605 -2.749 -12.078 390 1HB PRO 52 2HB PRO 52 3.546 -3.608 -14.376 391 2HB PRO 52 3HB PRO 52 2.551 -2.793 -13.136 392 1HG PRO 52 2HG PRO 52 3.815 -1.535 -15.590 393 2HG PRO 52 3HG PRO 52 2.103 -1.436 -15.080 394 1HD PRO 52 2HD PRO 52 3.953 0.481 -14.485 395 2HD PRO 52 3HD PRO 52 2.625 0.086 -13.352 396 H ALA 53 H ALA 53 6.684 -0.765 -13.658 397 HA ALA 53 HA ALA 53 8.021 -2.817 -15.339 398 1HB ALA 53 1HB ALA 53 8.075 -0.427 -16.000 399 2HB ALA 53 2HB ALA 53 8.941 -0.036 -14.495 400 3HB ALA 53 3HB ALA 53 9.700 -1.083 -15.709 401 H GLU 54 H GLU 54 8.218 -1.249 -12.220 402 HA GLU 54 HA GLU 54 10.451 -3.030 -11.288 403 1HB GLU 54 2HB GLU 54 9.556 -0.200 -10.515 404 2HB GLU 54 3HB GLU 54 10.639 -1.202 -9.578 405 1HG GLU 54 2HG GLU 54 12.004 -1.347 -11.862 406 2HG GLU 54 3HG GLU 54 11.112 0.144 -12.219 407 H THR 55 H THR 55 7.493 -1.318 -10.354 408 HA THR 55 HA THR 55 7.144 -2.937 -7.946 409 HB THR 55 HB THR 55 6.297 -0.195 -8.635 410 HG1 THR 55 1HG THR 55 8.543 -0.735 -7.838 411 1HG2 THR 55 1HG2 THR 55 5.816 -1.973 -6.185 412 2HG2 THR 55 2HG2 THR 55 5.686 -0.169 -6.170 413 3HG2 THR 55 3HG2 THR 55 4.634 -1.121 -7.231 414 H GLY 56 H GLY 56 5.517 -4.236 -7.642 415 1HA GLY 56 2HA GLY 56 2.997 -3.078 -8.054 416 2HA GLY 56 3HA GLY 56 3.084 -4.598 -8.978 417 H THR 57 H THR 57 1.363 -4.818 -7.339 418 HA THR 57 HA THR 57 1.290 -5.283 -4.716 419 HB THR 57 HB THR 57 -0.625 -5.537 -5.896 420 HG1 THR 57 1HG THR 57 -0.093 -8.216 -5.231 421 1HG2 THR 57 1HG2 THR 57 0.675 -7.637 -7.660 422 2HG2 THR 57 2HG2 THR 57 -1.076 -7.350 -7.569 423 3HG2 THR 57 3HG2 THR 57 -0.012 -6.063 -8.121 424 H ALA 58 H ALA 58 2.945 -7.520 -6.988 425 HA ALA 58 HA ALA 58 3.659 -9.584 -5.261 426 1HB ALA 58 1HB ALA 58 5.667 -9.820 -6.701 427 2HB ALA 58 2HB ALA 58 4.196 -9.562 -7.655 428 3HB ALA 58 3HB ALA 58 5.343 -8.226 -7.415 429 H ALA 59 H ALA 59 5.327 -6.393 -5.573 430 HA ALA 59 HA ALA 59 7.484 -7.245 -3.706 431 1HB ALA 59 1HB ALA 59 8.381 -4.992 -4.181 432 2HB ALA 59 2HB ALA 59 8.103 -5.883 -5.689 433 3HB ALA 59 3HB ALA 59 6.965 -4.615 -5.182 434 H ILE 60 H ILE 60 4.599 -5.308 -4.051 435 HA ILE 60 HA ILE 60 4.926 -3.812 -1.685 436 HB ILE 60 HB ILE 60 2.955 -4.152 -3.848 437 1HG1 ILE 60 2HG1 ILE 60 3.533 -1.795 -2.126 438 2HG1 ILE 60 3HG1 ILE 60 4.729 -2.340 -3.311 439 1HG2 ILE 60 1HG2 ILE 60 1.259 -4.621 -2.300 440 2HG2 ILE 60 2HG2 ILE 60 1.932 -3.546 -1.062 441 3HG2 ILE 60 3HG2 ILE 60 1.201 -2.870 -2.522 442 1HD1 ILE 60 1HD1 ILE 60 1.924 -1.352 -3.952 443 2HD1 ILE 60 2HD1 ILE 60 3.470 -0.556 -4.290 444 3HD1 ILE 60 3HD1 ILE 60 3.057 -2.068 -5.126 445 H GLN 61 H GLN 61 2.835 -6.727 -2.212 446 HA GLN 61 HA GLN 61 1.967 -7.039 0.438 447 1HB GLN 61 2HB GLN 61 2.530 -8.928 -1.830 448 2HB GLN 61 3HB GLN 61 2.479 -9.596 -0.195 449 1HG GLN 61 2HG GLN 61 0.359 -9.943 -0.797 450 2HG GLN 61 3HG GLN 61 0.207 -8.432 0.093 451 1HE2 GLN 61 1HE2 GLN 61 0.565 -6.412 -1.573 452 2HE2 GLN 61 2HE2 GLN 61 -0.323 -6.620 -3.089 453 H GLU 62 H GLU 62 4.988 -8.268 -1.043 454 HA GLU 62 HA GLU 62 6.101 -9.504 1.146 455 1HB GLU 62 2HB GLU 62 6.950 -8.795 -1.433 456 2HB GLU 62 3HB GLU 62 8.026 -7.809 -0.449 457 1HG GLU 62 2HG GLU 62 7.638 -10.830 -0.269 458 2HG GLU 62 3HG GLU 62 8.992 -9.987 -1.045 459 H LYS 63 H LYS 63 6.375 -5.990 0.399 460 HA LYS 63 HA LYS 63 7.784 -5.585 2.903 461 1HB LYS 63 2HB LYS 63 7.224 -4.007 0.534 462 2HB LYS 63 3HB LYS 63 6.758 -3.138 1.985 463 1HG LYS 63 2HG LYS 63 9.109 -2.696 1.490 464 2HG LYS 63 3HG LYS 63 8.994 -3.598 2.993 465 1HD LYS 63 2HD LYS 63 9.136 -5.476 0.752 466 2HD LYS 63 3HD LYS 63 10.424 -4.315 0.553 467 1HE LYS 63 2HE LYS 63 9.988 -5.749 3.214 468 2HE LYS 63 3HE LYS 63 10.842 -6.522 1.879 469 1HZ LYS 63 1HZ LYS 63 12.429 -4.771 1.887 470 2HZ LYS 63 2HZ LYS 63 11.629 -3.946 3.069 471 3HZ LYS 63 3HZ LYS 63 12.325 -5.402 3.396 472 H ILE 64 H ILE 64 4.342 -5.226 1.904 473 HA ILE 64 HA ILE 64 3.444 -3.883 4.135 474 HB ILE 64 HB ILE 64 2.070 -5.979 2.427 475 1HG1 ILE 64 2HG1 ILE 64 2.687 -3.810 1.291 476 2HG1 ILE 64 3HG1 ILE 64 0.976 -4.229 1.328 477 1HG2 ILE 64 1HG2 ILE 64 1.099 -4.297 4.743 478 2HG2 ILE 64 2HG2 ILE 64 -0.002 -4.813 3.459 479 3HG2 ILE 64 3HG2 ILE 64 0.836 -6.035 4.422 480 1HD1 ILE 64 1HD1 ILE 64 2.431 -2.129 2.937 481 2HD1 ILE 64 2HD1 ILE 64 1.086 -1.936 1.785 482 3HD1 ILE 64 3HD1 ILE 64 0.769 -2.658 3.329 483 H GLU 65 H GLU 65 3.900 -7.448 3.618 484 HA GLU 65 HA GLU 65 3.103 -8.495 6.116 485 1HB GLU 65 2HB GLU 65 5.148 -9.199 4.031 486 2HB GLU 65 3HB GLU 65 5.075 -10.119 5.542 487 1HG GLU 65 2HG GLU 65 2.539 -9.649 3.949 488 2HG GLU 65 3HG GLU 65 3.691 -10.883 3.428 489 H LYS 66 H LYS 66 6.135 -6.867 5.186 490 HA LYS 66 HA LYS 66 7.421 -7.427 7.729 491 1HB LYS 66 2HB LYS 66 8.252 -6.634 5.127 492 2HB LYS 66 3HB LYS 66 8.585 -5.256 6.169 493 1HG LYS 66 2HG LYS 66 10.564 -6.551 6.362 494 2HG LYS 66 3HG LYS 66 9.656 -6.946 7.810 495 1HD LYS 66 2HD LYS 66 10.465 -9.003 6.964 496 2HD LYS 66 3HD LYS 66 8.746 -9.021 6.584 497 1HE LYS 66 2HE LYS 66 10.508 -7.846 4.450 498 2HE LYS 66 3HE LYS 66 10.854 -9.529 4.821 499 1HZ LYS 66 1HZ LYS 66 9.322 -9.264 3.053 500 2HZ LYS 66 2HZ LYS 66 8.637 -10.130 4.200 501 3HZ LYS 66 3HZ LYS 66 8.181 -8.557 3.934 502 H LEU 67 H LEU 67 5.688 -4.646 6.253 503 HA LEU 67 HA LEU 67 6.078 -2.793 8.369 504 1HB LEU 67 2HB LEU 67 3.914 -3.291 6.300 505 2HB LEU 67 3HB LEU 67 3.614 -2.157 7.577 506 HG LEU 67 HG LEU 67 4.313 -1.083 5.591 507 1HD1 LEU 67 1HD1 LEU 67 6.579 -0.774 7.592 508 2HD1 LEU 67 2HD1 LEU 67 5.882 0.463 6.533 509 3HD1 LEU 67 3HD1 LEU 67 4.931 -0.170 7.887 510 1HD2 LEU 67 1HD2 LEU 67 6.934 -2.572 5.716 511 2HD2 LEU 67 2HD2 LEU 67 5.687 -2.566 4.435 512 3HD2 LEU 67 3HD2 LEU 67 6.634 -1.118 4.747 513 H GLY 68 H GLY 68 4.320 -5.816 8.267 514 1HA GLY 68 2HA GLY 68 4.012 -6.991 10.269 515 2HA GLY 68 3HA GLY 68 3.758 -5.490 11.167 516 H TYR 69 H TYR 69 2.236 -6.169 7.984 517 HA TYR 69 HA TYR 69 -0.366 -6.770 9.282 518 1HB TYR 69 2HB TYR 69 0.068 -4.512 7.284 519 2HB TYR 69 3HB TYR 69 -1.454 -4.977 8.026 520 HD1 TYR 69 HD1 TYR 69 -1.905 -4.412 10.426 521 HD2 TYR 69 HD2 TYR 69 1.787 -3.326 8.525 522 HE1 TYR 69 HE1 TYR 69 -1.595 -2.596 12.073 523 HE2 TYR 69 HE2 TYR 69 2.170 -1.592 10.214 524 HH TYR 69 HH TYR 69 1.298 -0.492 12.074 525 H HIS 70 H HIS 70 -1.974 -7.235 7.416 526 HA HIS 70 HA HIS 70 -0.542 -8.304 5.044 527 1HB HIS 70 2HB HIS 70 -1.281 -10.324 5.363 528 2HB HIS 70 3HB HIS 70 -1.808 -9.902 6.974 529 HD1 HIS 70 1HD HIS 70 -3.326 -9.627 3.384 530 HD2 HIS 70 2HD HIS 70 -4.368 -9.984 7.446 531 HE1 HIS 70 1HE HIS 70 -5.815 -9.412 3.532 532 H VAL 71 H VAL 71 -1.312 -7.550 3.259 533 HA VAL 71 HA VAL 71 -3.877 -6.009 3.201 534 HB VAL 71 HB VAL 71 -1.868 -4.844 2.426 535 1HG1 VAL 71 1HG1 VAL 71 -0.575 -6.693 1.437 536 2HG1 VAL 71 2HG1 VAL 71 -1.808 -6.881 0.161 537 3HG1 VAL 71 3HG1 VAL 71 -0.843 -5.400 0.257 538 1HG2 VAL 71 1HG2 VAL 71 -2.742 -3.889 0.477 539 2HG2 VAL 71 2HG2 VAL 71 -3.808 -5.275 0.164 540 3HG2 VAL 71 3HG2 VAL 71 -4.069 -4.225 1.577 541 H VAL 72 H VAL 72 -5.531 -6.557 1.686 542 HA VAL 72 HA VAL 72 -5.284 -9.308 0.455 543 HB VAL 72 HB VAL 72 -7.854 -8.781 0.038 544 1HG1 VAL 72 1HG1 VAL 72 -6.641 -10.584 1.694 545 2HG1 VAL 72 2HG1 VAL 72 -7.757 -9.705 2.778 546 3HG1 VAL 72 3HG1 VAL 72 -8.366 -10.460 1.313 547 1HG2 VAL 72 1HG2 VAL 72 -7.783 -6.582 1.058 548 2HG2 VAL 72 2HG2 VAL 72 -8.988 -7.649 1.816 549 3HG2 VAL 72 3HG2 VAL 72 -7.461 -7.312 2.660 550 H ILE 73 H ILE 73 -6.166 -9.523 -1.704 551 HA ILE 73 HA ILE 73 -6.304 -6.992 -3.295 552 HB ILE 73 HB ILE 73 -5.165 -9.705 -4.120 553 1HG1 ILE 73 2HG1 ILE 73 -3.620 -8.522 -2.585 554 2HG1 ILE 73 3HG1 ILE 73 -2.994 -8.722 -4.208 555 1HG2 ILE 73 1HG2 ILE 73 -4.414 -8.442 -6.169 556 2HG2 ILE 73 2HG2 ILE 73 -6.161 -8.653 -6.059 557 3HG2 ILE 73 3HG2 ILE 73 -5.442 -7.087 -5.655 558 1HD1 ILE 73 1HD1 ILE 73 -3.410 -6.376 -4.744 559 2HD1 ILE 73 2HD1 ILE 73 -4.258 -6.127 -3.202 560 3HD1 ILE 73 3HD1 ILE 73 -2.527 -6.481 -3.217 561 H GLU 74 H GLU 74 -8.523 -7.041 -2.706 562 HA GLU 74 HA GLU 74 -10.167 -9.001 -4.254 563 1HB GLU 74 2HB GLU 74 -10.619 -8.559 -1.719 564 2HB GLU 74 3HB GLU 74 -11.183 -6.961 -2.234 565 1HG GLU 74 2HG GLU 74 -12.823 -8.115 -3.765 566 2HG GLU 74 3HG GLU 74 -12.262 -9.672 -3.124 567 H GLY 75 H GLY 75 -10.695 -8.123 -6.294 568 1HA GLY 75 2HA GLY 75 -11.638 -5.532 -6.742 569 2HA GLY 75 3HA GLY 75 -9.878 -5.423 -6.927 570 H ARG 76 H ARG 76 -9.277 -7.869 -8.089 571 HA ARG 76 HA ARG 76 -10.711 -7.814 -10.697 572 1HB ARG 76 2HB ARG 76 -8.000 -7.519 -10.452 573 2HB ARG 76 3HB ARG 76 -8.124 -9.279 -10.353 574 1HG ARG 76 2HG ARG 76 -7.920 -8.962 -12.660 575 2HG ARG 76 3HG ARG 76 -9.670 -9.049 -12.465 576 1HD ARG 76 2HD ARG 76 -9.464 -7.103 -13.789 577 2HD ARG 76 3HD ARG 76 -9.538 -6.434 -12.176 578 HE ARG 76 HE ARG 76 -7.333 -5.783 -12.259 579 1HH1 ARG 76 2HH2 ARG 76 -8.000 -7.933 -14.960 580 2HH1 ARG 76 1HH2 ARG 76 -6.558 -7.563 -15.853 581 1HH2 ARG 76 2HH1 ARG 76 -5.336 -5.321 -13.359 582 2HH2 ARG 76 1HH1 ARG 76 -4.985 -6.068 -14.883 Start of MODEL 22 1 1H MET 1 H1 MET 1 5.900 -0.333 -25.565 2 2H MET 1 H2 MET 1 6.642 -1.511 -26.471 3 3H MET 1 H3 MET 1 6.892 -1.405 -24.831 4 HA MET 1 HA MET 1 8.792 -0.612 -25.971 5 1HB MET 1 2HB MET 1 6.773 1.259 -27.289 6 2HB MET 1 3HB MET 1 8.498 1.644 -27.161 7 1HG MET 1 2HG MET 1 8.148 0.682 -29.300 8 2HG MET 1 3HG MET 1 9.056 -0.473 -28.324 9 1HE MET 1 1HE MET 1 7.905 -1.312 -31.022 10 2HE MET 1 2HE MET 1 8.676 -2.462 -29.904 11 3HE MET 1 3HE MET 1 7.105 -2.853 -30.644 12 H LEU 2 H LEU 2 6.589 2.148 -25.335 13 HA LEU 2 HA LEU 2 8.218 3.144 -23.176 14 1HB LEU 2 2HB LEU 2 5.319 3.766 -23.921 15 2HB LEU 2 3HB LEU 2 6.350 4.683 -22.828 16 HG LEU 2 HG LEU 2 7.931 4.613 -25.107 17 1HD1 LEU 2 1HD1 LEU 2 5.040 4.990 -26.027 18 2HD1 LEU 2 2HD1 LEU 2 6.496 5.266 -27.000 19 3HD1 LEU 2 3HD1 LEU 2 6.077 3.629 -26.490 20 1HD2 LEU 2 1HD2 LEU 2 7.501 6.574 -23.695 21 2HD2 LEU 2 2HD2 LEU 2 7.268 6.961 -25.409 22 3HD2 LEU 2 3HD2 LEU 2 5.856 6.710 -24.360 23 H SER 3 H SER 3 7.210 3.465 -20.974 24 HA SER 3 HA SER 3 5.704 1.079 -20.002 25 1HB SER 3 2HB SER 3 7.531 2.949 -18.423 26 2HB SER 3 3HB SER 3 6.740 1.484 -17.831 27 HG SER 3 HG SER 3 8.894 1.054 -18.384 28 H GLU 4 H GLU 4 4.065 1.634 -18.359 29 HA GLU 4 HA GLU 4 3.453 4.444 -17.902 30 1HB GLU 4 2HB GLU 4 1.017 3.959 -18.400 31 2HB GLU 4 3HB GLU 4 2.060 4.166 -19.812 32 1HG GLU 4 2HG GLU 4 1.431 1.386 -18.747 33 2HG GLU 4 3HG GLU 4 0.329 2.243 -19.830 34 H GLN 5 H GLN 5 2.225 4.679 -16.058 35 HA GLN 5 HA GLN 5 2.535 2.421 -14.146 36 1HB GLN 5 2HB GLN 5 2.909 4.042 -12.508 37 2HB GLN 5 3HB GLN 5 3.941 4.460 -13.864 38 1HG GLN 5 2HG GLN 5 2.309 6.227 -14.566 39 2HG GLN 5 3HG GLN 5 1.279 5.821 -13.180 40 1HE2 GLN 5 1HE2 GLN 5 3.036 5.435 -11.122 41 2HE2 GLN 5 2HE2 GLN 5 3.914 6.884 -10.783 42 H LYS 6 H LYS 6 0.959 2.643 -12.137 43 HA LYS 6 HA LYS 6 -1.625 3.772 -12.853 44 1HB LYS 6 2HB LYS 6 -1.004 0.975 -13.459 45 2HB LYS 6 3HB LYS 6 -2.292 1.038 -12.275 46 1HG LYS 6 2HG LYS 6 -2.497 2.866 -14.664 47 2HG LYS 6 3HG LYS 6 -2.698 1.150 -14.920 48 1HD LYS 6 2HD LYS 6 -4.637 0.967 -13.729 49 2HD LYS 6 3HD LYS 6 -4.275 2.264 -12.609 50 1HE LYS 6 2HE LYS 6 -4.937 2.763 -15.550 51 2HE LYS 6 3HE LYS 6 -6.170 2.684 -14.281 52 1HZ LYS 6 1HZ LYS 6 -5.214 4.537 -13.194 53 2HZ LYS 6 2HZ LYS 6 -3.939 4.611 -14.216 54 3HZ LYS 6 3HZ LYS 6 -5.465 4.948 -14.729 55 H GLU 7 H GLU 7 -3.223 3.539 -11.311 56 HA GLU 7 HA GLU 7 -2.303 3.508 -8.535 57 1HB GLU 7 2HB GLU 7 -4.543 4.344 -8.066 58 2HB GLU 7 3HB GLU 7 -3.716 5.324 -9.270 59 1HG GLU 7 2HG GLU 7 -5.190 3.441 -10.808 60 2HG GLU 7 3HG GLU 7 -6.237 3.847 -9.462 61 H ILE 8 H ILE 8 -2.711 1.830 -7.184 62 HA ILE 8 HA ILE 8 -4.709 -0.228 -7.996 63 HB ILE 8 HB ILE 8 -2.125 -0.825 -7.510 64 1HG1 ILE 8 2HG1 ILE 8 -2.928 -3.059 -6.534 65 2HG1 ILE 8 3HG1 ILE 8 -4.568 -2.413 -6.700 66 1HG2 ILE 8 1HG2 ILE 8 -3.326 -0.984 -4.723 67 2HG2 ILE 8 2HG2 ILE 8 -1.706 -1.482 -5.216 68 3HG2 ILE 8 3HG2 ILE 8 -2.145 0.232 -5.269 69 1HD1 ILE 8 1HD1 ILE 8 -4.104 -2.047 -9.157 70 2HD1 ILE 8 2HD1 ILE 8 -2.470 -2.696 -8.915 71 3HD1 ILE 8 3HD1 ILE 8 -3.884 -3.743 -8.682 72 H ALA 9 H ALA 9 -6.190 -0.736 -6.303 73 HA ALA 9 HA ALA 9 -6.199 0.925 -3.871 74 1HB ALA 9 1HB ALA 9 -8.542 0.789 -5.808 75 2HB ALA 9 2HB ALA 9 -8.556 1.531 -4.192 76 3HB ALA 9 3HB ALA 9 -7.546 2.225 -5.478 77 H MET 10 H MET 10 -6.562 -0.443 -2.170 78 HA MET 10 HA MET 10 -8.202 -2.862 -2.502 79 1HB MET 10 2HB MET 10 -6.304 -4.346 -2.066 80 2HB MET 10 3HB MET 10 -6.037 -3.450 -3.554 81 1HG MET 10 2HG MET 10 -4.722 -1.738 -2.151 82 2HG MET 10 3HG MET 10 -4.827 -2.921 -0.839 83 1HE MET 10 1HE MET 10 -1.119 -2.569 -2.310 84 2HE MET 10 2HE MET 10 -2.344 -1.324 -2.612 85 3HE MET 10 3HE MET 10 -2.196 -2.042 -1.003 86 H GLN 11 H GLN 11 -7.895 -4.218 -0.378 87 HA GLN 11 HA GLN 11 -8.378 -2.278 1.821 88 1HB GLN 11 2HB GLN 11 -9.356 -5.140 1.626 89 2HB GLN 11 3HB GLN 11 -9.771 -3.927 2.821 90 1HG GLN 11 2HG GLN 11 -11.590 -4.129 1.260 91 2HG GLN 11 3HG GLN 11 -10.848 -2.535 1.092 92 1HE2 GLN 11 1HE2 GLN 11 -9.708 -5.695 -0.287 93 2HE2 GLN 11 2HE2 GLN 11 -9.873 -5.165 -1.960 94 H VAL 12 H VAL 12 -7.643 -2.705 3.941 95 HA VAL 12 HA VAL 12 -5.271 -4.519 4.091 96 HB VAL 12 HB VAL 12 -5.415 -2.020 5.741 97 1HG1 VAL 12 1HG1 VAL 12 -2.963 -2.101 5.454 98 2HG1 VAL 12 2HG1 VAL 12 -3.555 -3.600 6.165 99 3HG1 VAL 12 3HG1 VAL 12 -3.127 -3.541 4.435 100 1HG2 VAL 12 1HG2 VAL 12 -5.814 -1.091 3.535 101 2HG2 VAL 12 2HG2 VAL 12 -4.130 -0.811 3.990 102 3HG2 VAL 12 3HG2 VAL 12 -4.531 -2.132 2.854 103 H SER 13 H SER 13 -4.740 -5.196 6.348 104 HA SER 13 HA SER 13 -7.100 -5.241 8.169 105 1HB SER 13 2HB SER 13 -6.550 -7.365 6.671 106 2HB SER 13 3HB SER 13 -5.256 -7.615 7.847 107 HG SER 13 HG SER 13 -8.047 -7.406 8.359 108 H GLY 14 H GLY 14 -6.569 -4.660 10.200 109 1HA GLY 14 2HA GLY 14 -5.271 -5.044 12.141 110 2HA GLY 14 3HA GLY 14 -3.779 -4.998 11.216 111 H MET 15 H MET 15 -5.165 -2.468 9.817 112 HA MET 15 HA MET 15 -3.752 -0.461 11.151 113 1HB MET 15 2HB MET 15 -5.114 1.120 9.859 114 2HB MET 15 3HB MET 15 -4.562 -0.259 8.896 115 1HG MET 15 2HG MET 15 -7.041 -1.113 9.850 116 2HG MET 15 3HG MET 15 -7.344 0.583 9.509 117 1HE MET 15 1HE MET 15 -8.022 -2.656 8.302 118 2HE MET 15 2HE MET 15 -9.129 -1.271 8.159 119 3HE MET 15 3HE MET 15 -8.555 -2.125 6.699 120 H THR 16 H THR 16 -3.994 0.460 13.167 121 HA THR 16 HA THR 16 -6.653 0.445 14.470 122 HB THR 16 HB THR 16 -5.226 1.204 16.421 123 HG1 THR 16 1HG THR 16 -3.462 1.988 15.175 124 1HG2 THR 16 1HG2 THR 16 -4.360 -1.396 15.072 125 2HG2 THR 16 2HG2 THR 16 -4.240 -1.002 16.794 126 3HG2 THR 16 3HG2 THR 16 -5.837 -1.200 16.040 127 H CYS 17 H CYS 17 -6.059 2.174 12.107 128 HA CYS 17 HA CYS 17 -6.781 4.140 11.406 129 1HB CYS 17 2HB CYS 17 -8.572 3.647 13.190 130 2HB CYS 17 3HB CYS 17 -7.824 4.987 14.091 131 HG CYS 17 HG CYS 17 -9.915 5.857 12.802 132 H ALA 18 H ALA 18 -6.748 6.778 12.731 133 HA ALA 18 HA ALA 18 -5.324 8.499 12.607 134 1HB ALA 18 1HB ALA 18 -3.663 6.794 14.515 135 2HB ALA 18 2HB ALA 18 -3.630 8.571 14.359 136 3HB ALA 18 3HB ALA 18 -5.081 7.762 14.963 137 H ALA 19 H ALA 19 -2.233 7.857 13.031 138 HA ALA 19 HA ALA 19 -1.700 8.014 10.202 139 1HB ALA 19 1HB ALA 19 0.197 7.869 12.571 140 2HB ALA 19 2HB ALA 19 0.612 8.370 10.918 141 3HB ALA 19 3HB ALA 19 -0.501 9.353 11.885 142 H CYS 20 H CYS 20 -2.560 5.199 11.695 143 HA CYS 20 HA CYS 20 -0.094 3.740 11.641 144 1HB CYS 20 2HB CYS 20 -2.968 2.743 11.807 145 2HB CYS 20 3HB CYS 20 -1.512 1.743 12.010 146 HG CYS 20 HG CYS 20 -2.410 4.430 13.682 147 H ALA 21 H ALA 21 -2.987 3.334 9.504 148 HA ALA 21 HA ALA 21 -1.549 1.791 7.603 149 1HB ALA 21 1HB ALA 21 -4.061 3.408 7.270 150 2HB ALA 21 2HB ALA 21 -3.460 2.195 6.111 151 3HB ALA 21 3HB ALA 21 -3.938 1.697 7.743 152 H ALA 22 H ALA 22 -1.766 5.264 8.048 153 HA ALA 22 HA ALA 22 -0.634 6.064 5.540 154 1HB ALA 22 1HB ALA 22 -1.064 7.288 8.169 155 2HB ALA 22 2HB ALA 22 0.475 7.778 7.438 156 3HB ALA 22 3HB ALA 22 -1.045 8.012 6.556 157 H ARG 23 H ARG 23 0.940 5.070 8.668 158 HA ARG 23 HA ARG 23 3.576 5.086 7.560 159 1HB ARG 23 2HB ARG 23 2.456 3.650 9.981 160 2HB ARG 23 3HB ARG 23 4.111 3.462 9.393 161 1HG ARG 23 2HG ARG 23 4.220 6.061 9.386 162 2HG ARG 23 3HG ARG 23 2.792 5.994 10.430 163 1HD ARG 23 2HD ARG 23 4.040 4.799 12.131 164 2HD ARG 23 3HD ARG 23 5.355 4.443 10.983 165 HE ARG 23 HE ARG 23 4.958 7.278 11.279 166 1HH1 ARG 23 2HH2 ARG 23 6.374 4.518 12.940 167 2HH1 ARG 23 1HH2 ARG 23 7.754 5.373 13.554 168 1HH2 ARG 23 2HH1 ARG 23 6.797 8.462 12.046 169 2HH2 ARG 23 1HH1 ARG 23 7.975 7.687 13.052 170 H ILE 24 H ILE 24 1.159 2.436 7.748 171 HA ILE 24 HA ILE 24 2.692 0.372 6.661 172 HB ILE 24 HB ILE 24 -0.207 0.989 5.948 173 1HG1 ILE 24 2HG1 ILE 24 0.985 -0.919 7.982 174 2HG1 ILE 24 3HG1 ILE 24 0.241 0.616 8.399 175 1HG2 ILE 24 1HG2 ILE 24 1.385 -1.569 5.573 176 2HG2 ILE 24 2HG2 ILE 24 -0.362 -1.388 5.311 177 3HG2 ILE 24 3HG2 ILE 24 0.755 -0.517 4.285 178 1HD1 ILE 24 1HD1 ILE 24 -1.105 -1.890 7.388 179 2HD1 ILE 24 2HD1 ILE 24 -1.532 -0.847 8.755 180 3HD1 ILE 24 3HD1 ILE 24 -1.875 -0.326 7.104 181 H GLU 25 H GLU 25 0.751 2.754 4.742 182 HA GLU 25 HA GLU 25 1.837 1.670 2.340 183 1HB GLU 25 2HB GLU 25 -0.253 3.479 2.962 184 2HB GLU 25 3HB GLU 25 0.901 4.437 2.027 185 1HG GLU 25 2HG GLU 25 -0.377 1.800 1.201 186 2HG GLU 25 3HG GLU 25 -0.715 3.417 0.530 187 H LYS 26 H LYS 26 2.702 4.574 4.346 188 HA LYS 26 HA LYS 26 4.506 5.804 2.623 189 1HB LYS 26 2HB LYS 26 4.206 5.579 5.594 190 2HB LYS 26 3HB LYS 26 5.634 6.339 4.971 191 1HG LYS 26 2HG LYS 26 2.963 7.245 3.847 192 2HG LYS 26 3HG LYS 26 3.416 7.746 5.478 193 1HD LYS 26 2HD LYS 26 5.591 8.594 4.693 194 2HD LYS 26 3HD LYS 26 5.204 8.124 3.027 195 1HE LYS 26 2HE LYS 26 3.401 9.764 2.924 196 2HE LYS 26 3HE LYS 26 3.515 10.083 4.661 197 1HZ LYS 26 1HZ LYS 26 5.643 10.719 2.724 198 2HZ LYS 26 2HZ LYS 26 4.582 11.795 3.372 199 3HZ LYS 26 3HZ LYS 26 5.667 11.033 4.335 200 H GLY 27 H GLY 27 5.026 2.929 4.698 201 1HA GLY 27 2HA GLY 27 7.799 2.522 4.263 202 2HA GLY 27 3HA GLY 27 6.569 1.249 4.392 203 H LEU 28 H LEU 28 4.979 1.674 2.180 204 HA LEU 28 HA LEU 28 6.596 0.533 0.067 205 1HB LEU 28 2HB LEU 28 3.709 1.415 0.097 206 2HB LEU 28 3HB LEU 28 4.495 0.510 -1.190 207 HG LEU 28 HG LEU 28 4.258 -0.535 1.657 208 1HD1 LEU 28 1HD1 LEU 28 2.072 -0.374 0.921 209 2HD1 LEU 28 2HD1 LEU 28 2.478 -0.655 -0.769 210 3HD1 LEU 28 3HD1 LEU 28 2.538 -1.998 0.369 211 1HD2 LEU 28 1HD2 LEU 28 5.208 -1.788 -0.939 212 2HD2 LEU 28 2HD2 LEU 28 6.106 -1.598 0.561 213 3HD2 LEU 28 3HD2 LEU 28 4.746 -2.726 0.488 214 H LYS 29 H LYS 29 5.300 3.776 0.782 215 HA LYS 29 HA LYS 29 5.910 4.879 -1.761 216 1HB LYS 29 2HB LYS 29 4.591 6.153 -0.300 217 2HB LYS 29 3HB LYS 29 5.867 6.261 0.919 218 1HG LYS 29 2HG LYS 29 7.283 7.612 -0.486 219 2HG LYS 29 3HG LYS 29 6.230 7.358 -1.881 220 1HD LYS 29 2HD LYS 29 5.639 9.016 0.599 221 2HD LYS 29 3HD LYS 29 5.996 9.575 -1.048 222 1HE LYS 29 2HE LYS 29 3.882 8.034 -1.632 223 2HE LYS 29 3HE LYS 29 3.466 8.349 0.051 224 1HZ LYS 29 1HZ LYS 29 2.464 10.064 -1.254 225 2HZ LYS 29 2HZ LYS 29 3.760 10.805 -0.588 226 3HZ LYS 29 3HZ LYS 29 3.731 10.331 -2.155 227 H ARG 30 H ARG 30 8.133 3.558 0.582 228 HA ARG 30 HA ARG 30 10.417 4.946 -0.692 229 1HB ARG 30 2HB ARG 30 9.981 3.666 1.858 230 2HB ARG 30 3HB ARG 30 11.234 2.776 0.996 231 1HG ARG 30 2HG ARG 30 12.358 4.466 2.199 232 2HG ARG 30 3HG ARG 30 12.359 5.004 0.516 233 1HD ARG 30 2HD ARG 30 10.169 6.301 1.145 234 2HD ARG 30 3HD ARG 30 10.605 6.019 2.819 235 HE ARG 30 HE ARG 30 11.700 7.918 0.934 236 1HH1 ARG 30 2HH2 ARG 30 12.654 5.950 3.681 237 2HH1 ARG 30 1HH2 ARG 30 13.976 6.962 4.180 238 1HH2 ARG 30 2HH1 ARG 30 13.429 9.320 1.554 239 2HH2 ARG 30 1HH1 ARG 30 14.414 8.944 2.929 240 H MET 31 H MET 31 8.487 2.270 -1.623 241 HA MET 31 HA MET 31 10.641 0.560 -2.387 242 1HB MET 31 2HB MET 31 7.733 0.654 -3.219 243 2HB MET 31 3HB MET 31 8.838 -0.587 -3.793 244 1HG MET 31 2HG MET 31 8.522 -0.159 -0.813 245 2HG MET 31 3HG MET 31 7.331 -1.043 -1.767 246 1HE MET 31 1HE MET 31 11.442 -1.221 -1.527 247 2HE MET 31 2HE MET 31 10.655 -1.184 0.075 248 3HE MET 31 3HE MET 31 11.414 -2.674 -0.529 249 HA PRO 32 HA PRO 32 11.981 2.654 -6.023 250 1HB PRO 32 2HB PRO 32 13.315 0.696 -7.351 251 2HB PRO 32 3HB PRO 32 13.888 1.337 -5.785 252 1HG PRO 32 2HG PRO 32 12.230 -1.171 -6.237 253 2HG PRO 32 3HG PRO 32 13.740 -1.021 -5.295 254 1HD PRO 32 2HD PRO 32 11.314 -0.911 -4.101 255 2HD PRO 32 3HD PRO 32 12.631 0.181 -3.568 256 H GLY 33 H GLY 33 9.836 3.075 -6.912 257 1HA GLY 33 2HA GLY 33 9.233 2.610 -9.494 258 2HA GLY 33 3HA GLY 33 8.660 1.128 -8.808 259 H VAL 34 H VAL 34 8.056 2.795 -6.173 260 HA VAL 34 HA VAL 34 5.337 3.517 -6.816 261 HB VAL 34 HB VAL 34 6.331 2.617 -4.648 262 1HG1 VAL 34 1HG1 VAL 34 8.157 4.578 -4.780 263 2HG1 VAL 34 2HG1 VAL 34 6.921 5.485 -3.910 264 3HG1 VAL 34 3HG1 VAL 34 7.563 3.952 -3.259 265 1HG2 VAL 34 1HG2 VAL 34 4.014 3.532 -4.885 266 2HG2 VAL 34 2HG2 VAL 34 4.700 3.688 -3.268 267 3HG2 VAL 34 3HG2 VAL 34 4.611 5.108 -4.330 268 H THR 35 H THR 35 4.378 5.565 -6.737 269 HA THR 35 HA THR 35 6.218 7.916 -6.866 270 HB THR 35 HB THR 35 3.570 8.480 -7.955 271 HG1 THR 35 1HG THR 35 5.065 6.324 -9.019 272 1HG2 THR 35 1HG2 THR 35 5.601 9.818 -8.416 273 2HG2 THR 35 2HG2 THR 35 6.352 8.424 -9.233 274 3HG2 THR 35 3HG2 THR 35 4.890 9.180 -9.909 275 H ASP 36 H ASP 36 2.823 6.968 -5.997 276 HA ASP 36 HA ASP 36 3.110 8.585 -3.559 277 1HB ASP 36 2HB ASP 36 1.550 9.503 -5.950 278 2HB ASP 36 3HB ASP 36 0.825 9.749 -4.360 279 H ALA 37 H ALA 37 1.706 8.219 -1.972 280 HA ALA 37 HA ALA 37 -0.007 5.798 -2.156 281 1HB ALA 37 1HB ALA 37 1.123 7.247 0.277 282 2HB ALA 37 2HB ALA 37 0.346 5.652 0.211 283 3HB ALA 37 3HB ALA 37 1.944 5.906 -0.539 284 H ASN 38 H ASN 38 -2.140 5.937 -1.100 285 HA ASN 38 HA ASN 38 -3.079 8.516 -0.067 286 1HB ASN 38 2HB ASN 38 -3.619 7.689 -2.836 287 2HB ASN 38 3HB ASN 38 -5.112 7.763 -1.905 288 1HD2 ASN 38 1HD2 ASN 38 -2.100 9.776 -2.204 289 2HD2 ASN 38 2HD2 ASN 38 -3.001 11.277 -2.379 290 H VAL 39 H VAL 39 -3.410 7.488 1.885 291 HA VAL 39 HA VAL 39 -4.860 4.962 1.984 292 HB VAL 39 HB VAL 39 -2.907 5.515 3.389 293 1HG1 VAL 39 1HG1 VAL 39 -3.422 7.884 3.946 294 2HG1 VAL 39 2HG1 VAL 39 -4.802 7.346 4.926 295 3HG1 VAL 39 3HG1 VAL 39 -3.153 6.891 5.384 296 1HG2 VAL 39 1HG2 VAL 39 -3.785 4.540 5.416 297 2HG2 VAL 39 2HG2 VAL 39 -5.454 4.835 4.882 298 3HG2 VAL 39 3HG2 VAL 39 -4.420 3.702 3.989 299 H ASN 40 H ASN 40 -6.949 4.543 2.700 300 HA ASN 40 HA ASN 40 -8.747 6.838 3.270 301 1HB ASN 40 2HB ASN 40 -8.737 4.988 0.887 302 2HB ASN 40 3HB ASN 40 -10.306 5.305 1.629 303 1HD2 ASN 40 1HD2 ASN 40 -9.099 6.192 -1.017 304 2HD2 ASN 40 2HD2 ASN 40 -9.435 7.914 -1.011 305 H LEU 41 H LEU 41 -8.188 5.852 5.380 306 HA LEU 41 HA LEU 41 -9.294 3.303 6.099 307 1HB LEU 41 2HB LEU 41 -8.670 5.753 7.806 308 2HB LEU 41 3HB LEU 41 -9.056 4.143 8.431 309 HG LEU 41 HG LEU 41 -6.665 4.899 6.706 310 1HD1 LEU 41 1HD1 LEU 41 -6.796 5.380 9.293 311 2HD1 LEU 41 2HD1 LEU 41 -6.521 3.614 9.397 312 3HD1 LEU 41 3HD1 LEU 41 -5.337 4.665 8.602 313 1HD2 LEU 41 1HD2 LEU 41 -7.187 2.664 5.995 314 2HD2 LEU 41 2HD2 LEU 41 -6.050 2.395 7.309 315 3HD2 LEU 41 3HD2 LEU 41 -7.769 2.211 7.617 316 H ALA 42 H ALA 42 -10.876 6.204 5.360 317 HA ALA 42 HA ALA 42 -13.278 6.006 6.891 318 1HB ALA 42 1HB ALA 42 -12.695 7.954 5.467 319 2HB ALA 42 2HB ALA 42 -12.801 6.928 4.015 320 3HB ALA 42 3HB ALA 42 -14.254 7.250 4.987 321 H THR 43 H THR 43 -11.875 4.060 4.316 322 HA THR 43 HA THR 43 -14.283 2.308 4.337 323 HB THR 43 HB THR 43 -12.580 3.072 1.917 324 HG1 THR 43 1HG THR 43 -14.925 4.188 3.004 325 1HG2 THR 43 1HG2 THR 43 -13.772 1.013 1.488 326 2HG2 THR 43 2HG2 THR 43 -15.261 1.667 2.219 327 3HG2 THR 43 3HG2 THR 43 -14.640 2.325 0.685 328 H GLU 44 H GLU 44 -11.559 2.291 5.836 329 HA GLU 44 HA GLU 44 -9.785 0.890 6.178 330 1HB GLU 44 2HB GLU 44 -12.032 -1.057 5.453 331 2HB GLU 44 3HB GLU 44 -10.547 -1.519 6.244 332 1HG GLU 44 2HG GLU 44 -11.082 0.252 8.043 333 2HG GLU 44 3HG GLU 44 -12.695 0.340 7.317 334 H THR 45 H THR 45 -9.583 2.046 3.595 335 HA THR 45 HA THR 45 -8.526 -0.151 1.890 336 HB THR 45 HB THR 45 -10.370 2.170 1.171 337 HG1 THR 45 1HG THR 45 -11.316 0.194 1.959 338 1HG2 THR 45 1HG2 THR 45 -8.715 1.917 -0.678 339 2HG2 THR 45 2HG2 THR 45 -9.112 0.181 -0.760 340 3HG2 THR 45 3HG2 THR 45 -10.336 1.389 -1.142 341 H VAL 46 H VAL 46 -6.805 0.471 0.557 342 HA VAL 46 HA VAL 46 -5.757 3.213 0.914 343 HB VAL 46 HB VAL 46 -4.640 1.783 2.517 344 1HG1 VAL 46 1HG1 VAL 46 -3.633 0.130 0.135 345 2HG1 VAL 46 2HG1 VAL 46 -3.189 -0.092 1.833 346 3HG1 VAL 46 3HG1 VAL 46 -4.848 -0.421 1.293 347 1HG2 VAL 46 1HG2 VAL 46 -3.361 3.613 1.256 348 2HG2 VAL 46 2HG2 VAL 46 -2.400 2.340 2.010 349 3HG2 VAL 46 3HG2 VAL 46 -2.696 2.321 0.250 350 H ASN 47 H ASN 47 -4.736 4.046 -0.850 351 HA ASN 47 HA ASN 47 -4.755 2.414 -3.310 352 1HB ASN 47 2HB ASN 47 -6.568 4.035 -3.417 353 2HB ASN 47 3HB ASN 47 -5.505 5.339 -2.874 354 1HD2 ASN 47 1HD2 ASN 47 -3.688 6.005 -4.367 355 2HD2 ASN 47 2HD2 ASN 47 -4.002 5.840 -6.087 356 H VAL 48 H VAL 48 -2.929 2.698 -4.655 357 HA VAL 48 HA VAL 48 -0.997 4.742 -3.944 358 HB VAL 48 HB VAL 48 -0.328 3.066 -2.341 359 1HG1 VAL 48 1HG1 VAL 48 -1.192 1.024 -3.274 360 2HG1 VAL 48 2HG1 VAL 48 -0.151 1.186 -4.708 361 3HG1 VAL 48 3HG1 VAL 48 0.560 0.837 -3.124 362 1HG2 VAL 48 1HG2 VAL 48 2.020 2.706 -3.014 363 2HG2 VAL 48 2HG2 VAL 48 1.629 3.155 -4.679 364 3HG2 VAL 48 3HG2 VAL 48 1.492 4.348 -3.370 365 H ILE 49 H ILE 49 0.245 5.332 -5.580 366 HA ILE 49 HA ILE 49 -0.324 4.224 -8.259 367 HB ILE 49 HB ILE 49 0.782 6.936 -7.485 368 1HG1 ILE 49 2HG1 ILE 49 -1.870 7.045 -8.679 369 2HG1 ILE 49 3HG1 ILE 49 -1.951 6.050 -7.233 370 1HG2 ILE 49 1HG2 ILE 49 -0.338 5.857 -10.111 371 2HG2 ILE 49 2HG2 ILE 49 0.215 7.522 -9.821 372 3HG2 ILE 49 3HG2 ILE 49 1.369 6.183 -9.755 373 1HD1 ILE 49 1HD1 ILE 49 -0.810 8.871 -7.397 374 2HD1 ILE 49 2HD1 ILE 49 -2.379 8.404 -6.706 375 3HD1 ILE 49 3HD1 ILE 49 -0.878 7.876 -5.924 376 H TYR 50 H TYR 50 1.240 3.019 -9.139 377 HA TYR 50 HA TYR 50 4.073 3.584 -8.634 378 1HB TYR 50 2HB TYR 50 4.432 1.084 -8.192 379 2HB TYR 50 3HB TYR 50 3.826 2.025 -6.865 380 HD1 TYR 50 HD1 TYR 50 2.221 0.925 -5.569 381 HD2 TYR 50 HD2 TYR 50 2.421 -0.001 -9.778 382 HE1 TYR 50 HE1 TYR 50 0.663 -0.951 -5.249 383 HE2 TYR 50 HE2 TYR 50 0.805 -1.811 -9.462 384 HH TYR 50 HH TYR 50 -0.387 -2.745 -6.241 385 H ASP 51 H ASP 51 5.471 2.101 -10.022 386 HA ASP 51 HA ASP 51 4.118 1.818 -12.631 387 1HB ASP 51 2HB ASP 51 6.102 3.266 -12.300 388 2HB ASP 51 3HB ASP 51 7.066 1.849 -11.971 389 HA PRO 52 HA PRO 52 4.343 -2.631 -11.507 390 1HB PRO 52 2HB PRO 52 2.982 -3.687 -13.567 391 2HB PRO 52 3HB PRO 52 2.188 -2.728 -12.286 392 1HG PRO 52 2HG PRO 52 3.110 -1.757 -15.006 393 2HG PRO 52 3HG PRO 52 1.499 -1.533 -14.258 394 1HD PRO 52 2HD PRO 52 3.475 0.341 -14.161 395 2HD PRO 52 3HD PRO 52 2.342 0.127 -12.781 396 H ALA 53 H ALA 53 6.331 -0.982 -13.554 397 HA ALA 53 HA ALA 53 7.418 -3.348 -14.975 398 1HB ALA 53 1HB ALA 53 9.181 -1.775 -15.684 399 2HB ALA 53 2HB ALA 53 7.554 -1.162 -16.062 400 3HB ALA 53 3HB ALA 53 8.454 -0.498 -14.694 401 H GLU 54 H GLU 54 8.538 -1.007 -12.494 402 HA GLU 54 HA GLU 54 10.412 -2.911 -11.309 403 1HB GLU 54 2HB GLU 54 9.474 -0.099 -10.585 404 2HB GLU 54 3HB GLU 54 10.717 -1.003 -9.754 405 1HG GLU 54 2HG GLU 54 11.828 0.494 -11.250 406 2HG GLU 54 3HG GLU 54 12.024 -1.136 -11.925 407 H THR 55 H THR 55 7.209 -1.668 -10.618 408 HA THR 55 HA THR 55 7.070 -2.992 -7.983 409 HB THR 55 HB THR 55 6.625 -0.152 -8.636 410 HG1 THR 55 1HG THR 55 8.708 -1.744 -7.701 411 1HG2 THR 55 1HG2 THR 55 5.192 -0.712 -6.881 412 2HG2 THR 55 2HG2 THR 55 6.431 -1.706 -6.030 413 3HG2 THR 55 3HG2 THR 55 6.595 0.089 -6.160 414 H GLY 56 H GLY 56 5.347 -4.072 -7.565 415 1HA GLY 56 2HA GLY 56 2.990 -2.635 -7.440 416 2HA GLY 56 3HA GLY 56 2.751 -3.876 -8.700 417 H THR 57 H THR 57 1.176 -4.463 -7.120 418 HA THR 57 HA THR 57 1.001 -5.331 -4.667 419 HB THR 57 HB THR 57 -0.851 -5.514 -5.921 420 HG1 THR 57 1HG THR 57 -0.230 -8.244 -5.626 421 1HG2 THR 57 1HG2 THR 57 -1.206 -7.027 -7.853 422 2HG2 THR 57 2HG2 THR 57 -0.099 -5.702 -8.174 423 3HG2 THR 57 3HG2 THR 57 0.541 -7.339 -7.906 424 H ALA 58 H ALA 58 2.692 -7.374 -7.083 425 HA ALA 58 HA ALA 58 3.413 -9.573 -5.557 426 1HB ALA 58 1HB ALA 58 3.935 -9.313 -7.943 427 2HB ALA 58 2HB ALA 58 5.099 -8.023 -7.576 428 3HB ALA 58 3HB ALA 58 5.409 -9.682 -7.027 429 H ALA 59 H ALA 59 5.137 -6.415 -5.629 430 HA ALA 59 HA ALA 59 7.234 -7.374 -3.732 431 1HB ALA 59 1HB ALA 59 6.757 -4.660 -5.062 432 2HB ALA 59 2HB ALA 59 8.151 -5.104 -4.054 433 3HB ALA 59 3HB ALA 59 7.905 -5.897 -5.624 434 H ILE 60 H ILE 60 4.325 -5.487 -3.997 435 HA ILE 60 HA ILE 60 4.686 -4.082 -1.558 436 HB ILE 60 HB ILE 60 2.692 -4.364 -3.723 437 1HG1 ILE 60 2HG1 ILE 60 2.966 -1.770 -2.478 438 2HG1 ILE 60 3HG1 ILE 60 4.557 -2.438 -2.805 439 1HG2 ILE 60 1HG2 ILE 60 1.710 -3.434 -1.027 440 2HG2 ILE 60 2HG2 ILE 60 0.963 -3.070 -2.599 441 3HG2 ILE 60 3HG2 ILE 60 1.076 -4.743 -2.042 442 1HD1 ILE 60 1HD1 ILE 60 4.243 -2.697 -5.068 443 2HD1 ILE 60 2HD1 ILE 60 2.489 -2.409 -4.962 444 3HD1 ILE 60 3HD1 ILE 60 3.647 -1.081 -4.675 445 H GLN 61 H GLN 61 2.606 -7.014 -2.183 446 HA GLN 61 HA GLN 61 1.737 -7.257 0.502 447 1HB GLN 61 2HB GLN 61 2.342 -9.276 -1.650 448 2HB GLN 61 3HB GLN 61 2.130 -9.797 0.033 449 1HG GLN 61 2HG GLN 61 0.051 -10.124 -0.798 450 2HG GLN 61 3HG GLN 61 -0.105 -8.598 0.064 451 1HE2 GLN 61 1HE2 GLN 61 0.344 -6.596 -1.481 452 2HE2 GLN 61 2HE2 GLN 61 -0.398 -6.739 -3.075 453 H GLU 62 H GLU 62 4.750 -8.502 -0.961 454 HA GLU 62 HA GLU 62 6.009 -9.609 1.207 455 1HB GLU 62 2HB GLU 62 6.734 -8.880 -1.365 456 2HB GLU 62 3HB GLU 62 7.705 -7.723 -0.475 457 1HG GLU 62 2HG GLU 62 7.787 -10.724 0.062 458 2HG GLU 62 3HG GLU 62 8.729 -9.925 -1.209 459 H LYS 63 H LYS 63 6.247 -6.080 0.412 460 HA LYS 63 HA LYS 63 7.625 -5.702 2.929 461 1HB LYS 63 2HB LYS 63 6.982 -4.103 0.544 462 2HB LYS 63 3HB LYS 63 6.701 -3.236 2.046 463 1HG LYS 63 2HG LYS 63 9.032 -2.901 1.380 464 2HG LYS 63 3HG LYS 63 8.987 -3.894 2.841 465 1HD LYS 63 2HD LYS 63 8.990 -5.943 1.149 466 2HD LYS 63 3HD LYS 63 9.493 -4.760 -0.043 467 1HE LYS 63 2HE LYS 63 11.509 -4.262 1.395 468 2HE LYS 63 3HE LYS 63 10.898 -5.419 2.594 469 1HZ LYS 63 1HZ LYS 63 11.006 -7.135 0.902 470 2HZ LYS 63 2HZ LYS 63 11.679 -6.110 -0.160 471 3HZ LYS 63 3HZ LYS 63 12.494 -6.514 1.218 472 H ILE 64 H ILE 64 4.199 -5.356 1.938 473 HA ILE 64 HA ILE 64 3.293 -3.938 4.115 474 HB ILE 64 HB ILE 64 1.961 -6.079 2.449 475 1HG1 ILE 64 2HG1 ILE 64 2.552 -3.874 1.393 476 2HG1 ILE 64 3HG1 ILE 64 0.869 -4.389 1.316 477 1HG2 ILE 64 1HG2 ILE 64 0.925 -4.422 4.763 478 2HG2 ILE 64 2HG2 ILE 64 -0.155 -5.018 3.494 479 3HG2 ILE 64 3HG2 ILE 64 0.746 -6.179 4.459 480 1HD1 ILE 64 1HD1 ILE 64 2.088 -2.229 3.030 481 2HD1 ILE 64 2HD1 ILE 64 0.830 -2.102 1.768 482 3HD1 ILE 64 3HD1 ILE 64 0.428 -2.837 3.296 483 H GLU 65 H GLU 65 3.817 -7.522 3.686 484 HA GLU 65 HA GLU 65 2.934 -8.439 6.232 485 1HB GLU 65 2HB GLU 65 4.891 -9.332 4.137 486 2HB GLU 65 3HB GLU 65 4.851 -10.175 5.697 487 1HG GLU 65 2HG GLU 65 2.220 -9.752 4.312 488 2HG GLU 65 3HG GLU 65 3.356 -10.899 3.589 489 H LYS 66 H LYS 66 6.044 -7.002 5.203 490 HA LYS 66 HA LYS 66 7.389 -7.501 7.700 491 1HB LYS 66 2HB LYS 66 8.167 -6.745 5.154 492 2HB LYS 66 3HB LYS 66 8.244 -5.211 6.006 493 1HG LYS 66 2HG LYS 66 10.389 -6.166 6.204 494 2HG LYS 66 3HG LYS 66 9.649 -6.391 7.800 495 1HD LYS 66 2HD LYS 66 9.566 -8.718 7.574 496 2HD LYS 66 3HD LYS 66 9.141 -8.623 5.872 497 1HE LYS 66 2HE LYS 66 11.271 -9.652 5.929 498 2HE LYS 66 3HE LYS 66 11.486 -8.028 5.279 499 1HZ LYS 66 1HZ LYS 66 13.178 -8.499 6.860 500 2HZ LYS 66 2HZ LYS 66 12.199 -7.360 7.532 501 3HZ LYS 66 3HZ LYS 66 12.098 -8.929 8.021 502 H LEU 67 H LEU 67 5.596 -4.716 6.303 503 HA LEU 67 HA LEU 67 5.950 -2.881 8.422 504 1HB LEU 67 2HB LEU 67 3.825 -3.384 6.317 505 2HB LEU 67 3HB LEU 67 3.486 -2.253 7.585 506 HG LEU 67 HG LEU 67 4.206 -1.154 5.644 507 1HD1 LEU 67 1HD1 LEU 67 6.502 -0.903 7.610 508 2HD1 LEU 67 2HD1 LEU 67 5.812 0.355 6.569 509 3HD1 LEU 67 3HD1 LEU 67 4.866 -0.272 7.933 510 1HD2 LEU 67 1HD2 LEU 67 6.798 -2.696 5.708 511 2HD2 LEU 67 2HD2 LEU 67 5.544 -2.609 4.432 512 3HD2 LEU 67 3HD2 LEU 67 6.535 -1.203 4.788 513 H GLY 68 H GLY 68 4.188 -5.911 8.348 514 1HA GLY 68 2HA GLY 68 3.721 -7.044 10.328 515 2HA GLY 68 3HA GLY 68 3.511 -5.528 11.211 516 H TYR 69 H TYR 69 2.063 -6.077 8.008 517 HA TYR 69 HA TYR 69 -0.646 -6.629 9.158 518 1HB TYR 69 2HB TYR 69 0.002 -4.284 7.297 519 2HB TYR 69 3HB TYR 69 -1.578 -4.680 7.949 520 HD1 TYR 69 HD1 TYR 69 1.769 -3.372 8.769 521 HD2 TYR 69 HD2 TYR 69 -2.324 -3.717 9.992 522 HE1 TYR 69 HE1 TYR 69 2.151 -1.630 10.443 523 HE2 TYR 69 HE2 TYR 69 -1.987 -1.888 11.629 524 HH TYR 69 HH TYR 69 1.157 -0.233 11.999 525 H HIS 70 H HIS 70 -2.203 -6.558 7.348 526 HA HIS 70 HA HIS 70 -1.175 -8.363 5.193 527 1HB HIS 70 2HB HIS 70 -2.110 -9.801 6.667 528 2HB HIS 70 3HB HIS 70 -3.160 -8.611 7.411 529 HD1 HIS 70 1HD HIS 70 -4.954 -7.942 4.768 530 HD2 HIS 70 2HD HIS 70 -4.108 -11.268 7.059 531 HE1 HIS 70 1HE HIS 70 -7.070 -9.365 4.717 532 H VAL 71 H VAL 71 -1.492 -7.374 3.328 533 HA VAL 71 HA VAL 71 -3.960 -5.726 2.947 534 HB VAL 71 HB VAL 71 -1.819 -4.664 2.264 535 1HG1 VAL 71 1HG1 VAL 71 -0.666 -6.633 1.266 536 2HG1 VAL 71 2HG1 VAL 71 -1.912 -6.706 -0.008 537 3HG1 VAL 71 3HG1 VAL 71 -0.840 -5.308 0.096 538 1HG2 VAL 71 1HG2 VAL 71 -2.690 -3.741 0.269 539 2HG2 VAL 71 2HG2 VAL 71 -3.881 -5.051 0.099 540 3HG2 VAL 71 3HG2 VAL 71 -3.962 -3.912 1.469 541 H VAL 72 H VAL 72 -5.496 -6.356 1.456 542 HA VAL 72 HA VAL 72 -5.198 -9.130 0.323 543 HB VAL 72 HB VAL 72 -7.881 -8.743 0.250 544 1HG1 VAL 72 1HG1 VAL 72 -7.988 -10.186 2.271 545 2HG1 VAL 72 2HG1 VAL 72 -6.864 -10.743 1.014 546 3HG1 VAL 72 3HG1 VAL 72 -6.226 -9.944 2.468 547 1HG2 VAL 72 1HG2 VAL 72 -7.782 -6.634 1.506 548 2HG2 VAL 72 2HG2 VAL 72 -8.726 -7.875 2.342 549 3HG2 VAL 72 3HG2 VAL 72 -7.093 -7.487 2.917 550 H ILE 73 H ILE 73 -6.234 -9.433 -1.744 551 HA ILE 73 HA ILE 73 -6.275 -6.943 -3.411 552 HB ILE 73 HB ILE 73 -5.250 -9.698 -4.184 553 1HG1 ILE 73 2HG1 ILE 73 -3.712 -8.679 -2.546 554 2HG1 ILE 73 3HG1 ILE 73 -3.009 -8.801 -4.150 555 1HG2 ILE 73 1HG2 ILE 73 -5.184 -7.020 -5.650 556 2HG2 ILE 73 2HG2 ILE 73 -4.342 -8.495 -6.170 557 3HG2 ILE 73 3HG2 ILE 73 -6.107 -8.454 -6.120 558 1HD1 ILE 73 1HD1 ILE 73 -3.198 -6.441 -4.541 559 2HD1 ILE 73 2HD1 ILE 73 -4.258 -6.200 -3.139 560 3HD1 ILE 73 3HD1 ILE 73 -2.573 -6.633 -2.900 561 H GLU 74 H GLU 74 -8.476 -6.915 -2.766 562 HA GLU 74 HA GLU 74 -10.147 -8.516 -4.634 563 1HB GLU 74 2HB GLU 74 -10.631 -9.010 -2.191 564 2HB GLU 74 3HB GLU 74 -11.084 -7.308 -1.989 565 1HG GLU 74 2HG GLU 74 -12.871 -7.583 -3.677 566 2HG GLU 74 3HG GLU 74 -12.367 -9.264 -3.948 567 H GLY 75 H GLY 75 -11.100 -7.179 -6.115 568 1HA GLY 75 2HA GLY 75 -11.983 -4.741 -6.397 569 2HA GLY 75 3HA GLY 75 -10.286 -4.326 -6.094 570 H ARG 76 H ARG 76 -8.856 -4.529 -7.741 571 HA ARG 76 HA ARG 76 -8.047 -4.637 -9.827 572 1HB ARG 76 2HB ARG 76 -9.944 -6.973 -10.348 573 2HB ARG 76 3HB ARG 76 -8.676 -6.378 -11.417 574 1HG ARG 76 2HG ARG 76 -6.990 -6.802 -9.597 575 2HG ARG 76 3HG ARG 76 -8.268 -7.617 -8.667 576 1HD ARG 76 2HD ARG 76 -8.588 -9.245 -10.474 577 2HD ARG 76 3HD ARG 76 -7.461 -8.339 -11.515 578 HE ARG 76 HE ARG 76 -6.217 -9.131 -9.037 579 1HH1 ARG 76 2HH2 ARG 76 -7.223 -10.406 -12.157 580 2HH1 ARG 76 1HH2 ARG 76 -5.932 -11.558 -12.308 581 1HH2 ARG 76 2HH1 ARG 76 -4.467 -10.650 -9.183 582 2HH2 ARG 76 1HH1 ARG 76 -4.335 -11.708 -10.550 Start of MODEL 23 1 1H MET 1 H1 MET 1 7.685 -3.685 -20.764 2 2H MET 1 H2 MET 1 8.935 -4.486 -21.468 3 3H MET 1 H3 MET 1 8.979 -2.844 -21.314 4 HA MET 1 HA MET 1 8.576 -3.519 -23.546 5 1HB MET 1 2HB MET 1 6.512 -4.586 -24.206 6 2HB MET 1 3HB MET 1 7.456 -5.590 -23.111 7 1HG MET 1 2HG MET 1 5.793 -4.468 -21.283 8 2HG MET 1 3HG MET 1 4.766 -4.346 -22.717 9 1HE MET 1 1HE MET 1 2.945 -5.904 -21.440 10 2HE MET 1 2HE MET 1 3.402 -7.425 -20.640 11 3HE MET 1 3HE MET 1 4.048 -5.882 -20.039 12 H LEU 2 H LEU 2 6.184 -2.248 -21.152 13 HA LEU 2 HA LEU 2 6.193 0.296 -22.671 14 1HB LEU 2 2HB LEU 2 3.913 -1.131 -21.239 15 2HB LEU 2 3HB LEU 2 3.866 0.595 -21.605 16 HG LEU 2 HG LEU 2 4.368 -1.428 -23.817 17 1HD1 LEU 2 1HD1 LEU 2 2.289 -2.115 -22.718 18 2HD1 LEU 2 2HD1 LEU 2 1.667 -0.454 -22.807 19 3HD1 LEU 2 3HD1 LEU 2 1.953 -1.380 -24.295 20 1HD2 LEU 2 1HD2 LEU 2 4.815 0.976 -24.314 21 2HD2 LEU 2 2HD2 LEU 2 3.413 0.383 -25.212 22 3HD2 LEU 2 3HD2 LEU 2 3.176 1.386 -23.771 23 H SER 3 H SER 3 5.543 2.048 -20.997 24 HA SER 3 HA SER 3 6.652 1.581 -18.290 25 1HB SER 3 2HB SER 3 7.936 3.818 -18.690 26 2HB SER 3 3HB SER 3 8.650 2.297 -19.238 27 HG SER 3 HG SER 3 7.818 2.745 -21.333 28 H GLU 4 H GLU 4 4.272 1.623 -18.086 29 HA GLU 4 HA GLU 4 3.221 4.382 -17.882 30 1HB GLU 4 2HB GLU 4 1.071 3.602 -18.819 31 2HB GLU 4 3HB GLU 4 2.403 3.589 -19.978 32 1HG GLU 4 2HG GLU 4 2.636 1.073 -19.537 33 2HG GLU 4 3HG GLU 4 1.131 1.186 -18.612 34 H GLN 5 H GLN 5 2.587 4.709 -15.889 35 HA GLN 5 HA GLN 5 2.574 2.475 -14.028 36 1HB GLN 5 2HB GLN 5 2.530 4.184 -12.322 37 2HB GLN 5 3HB GLN 5 3.792 4.485 -13.533 38 1HG GLN 5 2HG GLN 5 2.318 6.251 -14.554 39 2HG GLN 5 3HG GLN 5 1.092 5.905 -13.322 40 1HE2 GLN 5 1HE2 GLN 5 3.974 5.456 -11.737 41 2HE2 GLN 5 2HE2 GLN 5 4.056 7.007 -10.968 42 H LYS 6 H LYS 6 0.934 2.463 -12.202 43 HA LYS 6 HA LYS 6 -1.801 3.147 -13.118 44 1HB LYS 6 2HB LYS 6 -0.659 0.412 -12.894 45 2HB LYS 6 3HB LYS 6 -2.169 0.620 -12.029 46 1HG LYS 6 2HG LYS 6 -1.970 1.568 -14.893 47 2HG LYS 6 3HG LYS 6 -2.178 -0.148 -14.524 48 1HD LYS 6 2HD LYS 6 -4.168 0.396 -13.106 49 2HD LYS 6 3HD LYS 6 -4.043 2.094 -13.609 50 1HE LYS 6 2HE LYS 6 -4.440 1.477 -15.952 51 2HE LYS 6 3HE LYS 6 -4.363 -0.247 -15.556 52 1HZ LYS 6 1HZ LYS 6 -6.427 1.616 -14.582 53 2HZ LYS 6 2HZ LYS 6 -6.615 0.493 -15.771 54 3HZ LYS 6 3HZ LYS 6 -6.334 0.012 -14.225 55 H GLU 7 H GLU 7 -3.284 3.171 -11.557 56 HA GLU 7 HA GLU 7 -2.454 3.587 -8.749 57 1HB GLU 7 2HB GLU 7 -4.924 4.369 -8.666 58 2HB GLU 7 3HB GLU 7 -3.743 5.427 -9.443 59 1HG GLU 7 2HG GLU 7 -4.460 4.754 -11.673 60 2HG GLU 7 3HG GLU 7 -5.587 3.560 -10.978 61 H ILE 8 H ILE 8 -2.789 1.902 -7.382 62 HA ILE 8 HA ILE 8 -4.896 -0.089 -8.057 63 HB ILE 8 HB ILE 8 -2.347 -0.785 -7.772 64 1HG1 ILE 8 2HG1 ILE 8 -3.094 -2.922 -6.575 65 2HG1 ILE 8 3HG1 ILE 8 -4.717 -2.222 -6.543 66 1HG2 ILE 8 1HG2 ILE 8 -1.835 0.308 -5.724 67 2HG2 ILE 8 2HG2 ILE 8 -3.163 -0.457 -4.859 68 3HG2 ILE 8 3HG2 ILE 8 -1.817 -1.434 -5.417 69 1HD1 ILE 8 1HD1 ILE 8 -4.647 -2.034 -9.033 70 2HD1 ILE 8 2HD1 ILE 8 -2.966 -2.599 -9.027 71 3HD1 ILE 8 3HD1 ILE 8 -4.273 -3.695 -8.531 72 H ALA 9 H ALA 9 -6.298 -0.618 -6.306 73 HA ALA 9 HA ALA 9 -6.055 0.897 -3.815 74 1HB ALA 9 1HB ALA 9 -8.465 1.437 -3.826 75 2HB ALA 9 2HB ALA 9 -7.635 2.246 -5.173 76 3HB ALA 9 3HB ALA 9 -8.610 0.789 -5.474 77 H MET 10 H MET 10 -6.447 -0.449 -2.088 78 HA MET 10 HA MET 10 -8.254 -2.702 -2.393 79 1HB MET 10 2HB MET 10 -6.694 -4.436 -1.814 80 2HB MET 10 3HB MET 10 -6.365 -3.782 -3.411 81 1HG MET 10 2HG MET 10 -4.861 -2.717 -1.004 82 2HG MET 10 3HG MET 10 -4.392 -4.229 -1.798 83 1HE MET 10 1HE MET 10 -2.693 -1.371 -1.346 84 2HE MET 10 2HE MET 10 -1.979 -2.942 -1.804 85 3HE MET 10 3HE MET 10 -1.691 -1.502 -2.804 86 H GLN 11 H GLN 11 -8.158 -4.080 -0.270 87 HA GLN 11 HA GLN 11 -8.407 -2.097 1.900 88 1HB GLN 11 2HB GLN 11 -9.408 -4.845 2.356 89 2HB GLN 11 3HB GLN 11 -10.016 -3.288 2.873 90 1HG GLN 11 2HG GLN 11 -11.666 -3.896 1.416 91 2HG GLN 11 3HG GLN 11 -10.652 -2.993 0.287 92 1HE2 GLN 11 1HE2 GLN 11 -9.931 -4.240 -1.553 93 2HE2 GLN 11 2HE2 GLN 11 -9.749 -5.977 -1.533 94 H VAL 12 H VAL 12 -7.632 -2.537 4.010 95 HA VAL 12 HA VAL 12 -5.275 -4.374 4.076 96 HB VAL 12 HB VAL 12 -5.362 -1.947 5.833 97 1HG1 VAL 12 1HG1 VAL 12 -3.476 -3.520 6.094 98 2HG1 VAL 12 2HG1 VAL 12 -3.149 -3.430 4.347 99 3HG1 VAL 12 3HG1 VAL 12 -2.917 -2.013 5.377 100 1HG2 VAL 12 1HG2 VAL 12 -5.899 -0.923 3.694 101 2HG2 VAL 12 2HG2 VAL 12 -4.188 -0.657 4.028 102 3HG2 VAL 12 3HG2 VAL 12 -4.677 -1.932 2.883 103 H SER 13 H SER 13 -4.664 -5.062 6.367 104 HA SER 13 HA SER 13 -7.099 -5.387 8.075 105 1HB SER 13 2HB SER 13 -6.330 -7.369 6.672 106 2HB SER 13 3HB SER 13 -4.888 -7.426 7.700 107 HG SER 13 HG SER 13 -6.208 -7.892 9.443 108 H GLY 14 H GLY 14 -6.859 -4.791 10.130 109 1HA GLY 14 2HA GLY 14 -5.920 -4.775 12.235 110 2HA GLY 14 3HA GLY 14 -4.334 -5.156 11.559 111 H MET 15 H MET 15 -6.416 -2.389 10.634 112 HA MET 15 HA MET 15 -4.088 -0.607 11.175 113 1HB MET 15 2HB MET 15 -5.218 0.939 9.650 114 2HB MET 15 3HB MET 15 -4.625 -0.544 8.890 115 1HG MET 15 2HG MET 15 -7.559 -0.232 9.660 116 2HG MET 15 3HG MET 15 -6.897 0.409 8.180 117 1HE MET 15 1HE MET 15 -8.180 -0.768 6.457 118 2HE MET 15 2HE MET 15 -8.838 -2.400 6.690 119 3HE MET 15 3HE MET 15 -9.215 -1.123 7.868 120 H THR 16 H THR 16 -4.444 -0.215 13.400 121 HA THR 16 HA THR 16 -7.053 0.697 14.274 122 HB THR 16 HB THR 16 -4.530 0.921 15.929 123 HG1 THR 16 1HG THR 16 -4.473 -1.171 15.095 124 1HG2 THR 16 1HG2 THR 16 -7.422 0.127 16.517 125 2HG2 THR 16 2HG2 THR 16 -6.118 0.268 17.713 126 3HG2 THR 16 3HG2 THR 16 -6.717 1.719 16.885 127 H CYS 17 H CYS 17 -6.326 2.341 12.206 128 HA CYS 17 HA CYS 17 -5.994 4.443 11.513 129 1HB CYS 17 2HB CYS 17 -8.229 4.489 12.439 130 2HB CYS 17 3HB CYS 17 -7.613 5.110 13.994 131 HG CYS 17 HG CYS 17 -7.222 6.439 10.972 132 H ALA 18 H ALA 18 -5.767 6.607 14.056 133 HA ALA 18 HA ALA 18 -3.962 7.915 14.562 134 1HB ALA 18 1HB ALA 18 -2.609 6.828 16.288 135 2HB ALA 18 2HB ALA 18 -4.311 6.348 16.425 136 3HB ALA 18 3HB ALA 18 -3.130 5.228 15.714 137 H ALA 19 H ALA 19 -3.589 7.401 11.944 138 HA ALA 19 HA ALA 19 -2.092 7.491 10.267 139 1HB ALA 19 1HB ALA 19 0.078 8.474 10.683 140 2HB ALA 19 2HB ALA 19 -1.117 9.253 11.735 141 3HB ALA 19 3HB ALA 19 0.006 8.047 12.399 142 H CYS 20 H CYS 20 -2.426 4.813 11.768 143 HA CYS 20 HA CYS 20 0.134 3.462 11.581 144 1HB CYS 20 2HB CYS 20 -2.726 2.487 12.010 145 2HB CYS 20 3HB CYS 20 -1.393 1.378 11.751 146 HG CYS 20 HG CYS 20 -1.722 1.424 14.256 147 H ALA 21 H ALA 21 -2.910 3.113 9.738 148 HA ALA 21 HA ALA 21 -1.991 1.610 7.594 149 1HB ALA 21 1HB ALA 21 -4.301 2.150 8.087 150 2HB ALA 21 2HB ALA 21 -4.052 3.820 7.544 151 3HB ALA 21 3HB ALA 21 -3.905 2.458 6.390 152 H ALA 22 H ALA 22 -1.947 5.101 8.021 153 HA ALA 22 HA ALA 22 -0.813 5.904 5.556 154 1HB ALA 22 1HB ALA 22 -1.814 7.475 7.188 155 2HB ALA 22 2HB ALA 22 -0.542 7.108 8.356 156 3HB ALA 22 3HB ALA 22 -0.135 7.940 6.838 157 H ARG 23 H ARG 23 0.820 5.054 8.693 158 HA ARG 23 HA ARG 23 3.479 5.260 7.715 159 1HB ARG 23 2HB ARG 23 2.222 3.665 9.971 160 2HB ARG 23 3HB ARG 23 3.918 3.478 9.571 161 1HG ARG 23 2HG ARG 23 2.731 6.234 9.956 162 2HG ARG 23 3HG ARG 23 3.173 5.257 11.360 163 1HD ARG 23 2HD ARG 23 5.415 5.330 10.958 164 2HD ARG 23 3HD ARG 23 5.242 5.426 9.193 165 HE ARG 23 HE ARG 23 4.214 7.822 10.215 166 1HH1 ARG 23 2HH2 ARG 23 7.303 6.144 10.176 167 2HH1 ARG 23 1HH2 ARG 23 8.285 7.570 10.045 168 1HH2 ARG 23 2HH1 ARG 23 5.467 9.763 9.992 169 2HH2 ARG 23 1HH1 ARG 23 7.197 9.687 9.920 170 H ILE 24 H ILE 24 1.203 2.474 7.621 171 HA ILE 24 HA ILE 24 3.002 0.612 6.553 172 HB ILE 24 HB ILE 24 0.179 0.782 5.497 173 1HG1 ILE 24 2HG1 ILE 24 1.008 -0.583 8.064 174 2HG1 ILE 24 3HG1 ILE 24 0.056 0.880 7.985 175 1HG2 ILE 24 1HG2 ILE 24 0.319 -1.560 5.186 176 2HG2 ILE 24 2HG2 ILE 24 1.713 -0.785 4.452 177 3HG2 ILE 24 3HG2 ILE 24 1.892 -1.639 6.008 178 1HD1 ILE 24 1HD1 ILE 24 -1.562 -0.793 8.270 179 2HD1 ILE 24 2HD1 ILE 24 -1.652 -0.344 6.559 180 3HD1 ILE 24 3HD1 ILE 24 -0.843 -1.841 7.037 181 H GLU 25 H GLU 25 0.730 2.735 4.703 182 HA GLU 25 HA GLU 25 1.853 1.864 2.278 183 1HB GLU 25 2HB GLU 25 -0.428 3.237 2.966 184 2HB GLU 25 3HB GLU 25 0.524 4.535 2.264 185 1HG GLU 25 2HG GLU 25 -0.727 3.542 0.436 186 2HG GLU 25 3HG GLU 25 0.945 3.020 0.233 187 H LYS 26 H LYS 26 2.610 4.703 4.310 188 HA LYS 26 HA LYS 26 4.368 6.036 2.541 189 1HB LYS 26 2HB LYS 26 4.079 5.792 5.542 190 2HB LYS 26 3HB LYS 26 5.474 6.604 4.888 191 1HG LYS 26 2HG LYS 26 2.683 7.369 3.959 192 2HG LYS 26 3HG LYS 26 3.379 8.021 5.454 193 1HD LYS 26 2HD LYS 26 5.364 8.855 4.211 194 2HD LYS 26 3HD LYS 26 4.756 8.168 2.716 195 1HE LYS 26 2HE LYS 26 4.325 10.534 2.680 196 2HE LYS 26 3HE LYS 26 2.784 9.668 2.759 197 1HZ LYS 26 1HZ LYS 26 2.863 11.559 4.234 198 2HZ LYS 26 2HZ LYS 26 2.695 10.177 5.103 199 3HZ LYS 26 3HZ LYS 26 4.153 10.945 5.043 200 H GLY 27 H GLY 27 4.855 3.164 4.623 201 1HA GLY 27 2HA GLY 27 7.638 2.808 4.089 202 2HA GLY 27 3HA GLY 27 6.481 1.526 4.418 203 H LEU 28 H LEU 28 4.681 1.874 2.121 204 HA LEU 28 HA LEU 28 6.322 0.661 0.061 205 1HB LEU 28 2HB LEU 28 3.522 1.785 -0.086 206 2HB LEU 28 3HB LEU 28 4.330 0.871 -1.355 207 HG LEU 28 HG LEU 28 3.858 -0.270 1.417 208 1HD1 LEU 28 1HD1 LEU 28 1.774 -0.005 0.537 209 2HD1 LEU 28 2HD1 LEU 28 2.260 -0.234 -1.145 210 3HD1 LEU 28 3HD1 LEU 28 2.181 -1.628 -0.053 211 1HD2 LEU 28 1HD2 LEU 28 5.694 -1.454 0.604 212 2HD2 LEU 28 2HD2 LEU 28 4.342 -2.445 0.077 213 3HD2 LEU 28 3HD2 LEU 28 5.179 -1.389 -1.078 214 H LYS 29 H LYS 29 5.239 4.005 0.654 215 HA LYS 29 HA LYS 29 6.146 5.016 -1.835 216 1HB LYS 29 2HB LYS 29 4.843 6.427 -0.614 217 2HB LYS 29 3HB LYS 29 5.867 6.400 0.813 218 1HG LYS 29 2HG LYS 29 7.569 7.691 -0.169 219 2HG LYS 29 3HG LYS 29 6.991 7.411 -1.812 220 1HD LYS 29 2HD LYS 29 5.454 9.060 0.233 221 2HD LYS 29 3HD LYS 29 6.600 9.694 -0.964 222 1HE LYS 29 2HE LYS 29 5.113 8.259 -2.666 223 2HE LYS 29 3HE LYS 29 3.883 8.430 -1.424 224 1HZ LYS 29 1HZ LYS 29 4.141 10.864 -1.666 225 2HZ LYS 29 2HZ LYS 29 5.337 10.646 -2.786 226 3HZ LYS 29 3HZ LYS 29 3.820 10.227 -3.109 227 H ARG 30 H ARG 30 8.073 3.570 0.687 228 HA ARG 30 HA ARG 30 10.570 4.778 -0.398 229 1HB ARG 30 2HB ARG 30 9.840 3.055 1.965 230 2HB ARG 30 3HB ARG 30 11.485 3.026 1.370 231 1HG ARG 30 2HG ARG 30 11.701 5.449 1.595 232 2HG ARG 30 3HG ARG 30 9.976 5.576 1.981 233 1HD ARG 30 2HD ARG 30 10.580 5.521 4.157 234 2HD ARG 30 3HD ARG 30 10.740 3.798 3.917 235 HE ARG 30 HE ARG 30 13.020 3.944 4.106 236 1HH1 ARG 30 2HH2 ARG 30 11.779 7.135 3.355 237 2HH1 ARG 30 1HH2 ARG 30 13.173 8.018 3.901 238 1HH2 ARG 30 2HH1 ARG 30 14.930 5.058 4.851 239 2HH2 ARG 30 1HH1 ARG 30 15.030 6.782 4.739 240 H MET 31 H MET 31 8.525 2.250 -1.480 241 HA MET 31 HA MET 31 10.717 0.481 -2.228 242 1HB MET 31 2HB MET 31 7.734 0.412 -2.770 243 2HB MET 31 3HB MET 31 8.855 -0.757 -3.453 244 1HG MET 31 2HG MET 31 8.574 -0.204 -0.479 245 2HG MET 31 3HG MET 31 7.773 -1.529 -1.319 246 1HE MET 31 1HE MET 31 9.852 -2.811 -3.258 247 2HE MET 31 2HE MET 31 10.643 -3.978 -2.184 248 3HE MET 31 3HE MET 31 8.885 -3.730 -2.080 249 HA PRO 32 HA PRO 32 11.726 2.660 -5.912 250 1HB PRO 32 2HB PRO 32 13.092 0.758 -7.335 251 2HB PRO 32 3HB PRO 32 13.712 1.449 -5.809 252 1HG PRO 32 2HG PRO 32 12.171 -1.147 -6.157 253 2HG PRO 32 3HG PRO 32 13.725 -0.911 -5.313 254 1HD PRO 32 2HD PRO 32 11.390 -0.931 -3.954 255 2HD PRO 32 3HD PRO 32 12.661 0.254 -3.523 256 H GLY 33 H GLY 33 9.687 3.119 -6.931 257 1HA GLY 33 2HA GLY 33 9.103 2.649 -9.425 258 2HA GLY 33 3HA GLY 33 8.556 1.112 -8.824 259 H VAL 34 H VAL 34 7.901 2.755 -6.173 260 HA VAL 34 HA VAL 34 5.158 3.386 -6.722 261 HB VAL 34 HB VAL 34 6.256 2.632 -4.571 262 1HG1 VAL 34 1HG1 VAL 34 6.936 5.535 -4.044 263 2HG1 VAL 34 2HG1 VAL 34 7.563 4.041 -3.298 264 3HG1 VAL 34 3HG1 VAL 34 8.105 4.517 -4.890 265 1HG2 VAL 34 1HG2 VAL 34 3.942 3.541 -4.705 266 2HG2 VAL 34 2HG2 VAL 34 4.723 3.800 -3.144 267 3HG2 VAL 34 3HG2 VAL 34 4.569 5.150 -4.288 268 H THR 35 H THR 35 4.158 5.410 -6.810 269 HA THR 35 HA THR 35 5.907 7.826 -7.093 270 HB THR 35 HB THR 35 3.233 8.338 -8.051 271 HG1 THR 35 1HG THR 35 4.501 6.018 -9.060 272 1HG2 THR 35 1HG2 THR 35 5.871 8.090 -9.560 273 2HG2 THR 35 2HG2 THR 35 4.398 8.928 -10.107 274 3HG2 THR 35 3HG2 THR 35 5.292 9.543 -8.711 275 H ASP 36 H ASP 36 2.604 6.799 -6.013 276 HA ASP 36 HA ASP 36 2.876 8.553 -3.660 277 1HB ASP 36 2HB ASP 36 1.084 9.149 -6.027 278 2HB ASP 36 3HB ASP 36 0.566 9.591 -4.395 279 H ALA 37 H ALA 37 1.563 8.184 -1.995 280 HA ALA 37 HA ALA 37 -0.189 5.771 -2.117 281 1HB ALA 37 1HB ALA 37 1.691 6.781 0.061 282 2HB ALA 37 2HB ALA 37 0.502 5.485 0.248 283 3HB ALA 37 3HB ALA 37 1.858 5.281 -0.882 284 H ASN 38 H ASN 38 -2.234 6.069 -1.251 285 HA ASN 38 HA ASN 38 -2.886 8.565 0.233 286 1HB ASN 38 2HB ASN 38 -4.060 7.706 -2.440 287 2HB ASN 38 3HB ASN 38 -4.953 8.698 -1.285 288 1HD2 ASN 38 1HD2 ASN 38 -2.320 8.730 -3.630 289 2HD2 ASN 38 2HD2 ASN 38 -2.008 10.450 -3.477 290 H VAL 39 H VAL 39 -3.630 7.712 2.070 291 HA VAL 39 HA VAL 39 -5.012 5.121 2.066 292 HB VAL 39 HB VAL 39 -3.099 5.659 3.554 293 1HG1 VAL 39 1HG1 VAL 39 -5.086 7.417 5.062 294 2HG1 VAL 39 2HG1 VAL 39 -3.456 6.966 5.580 295 3HG1 VAL 39 3HG1 VAL 39 -3.671 8.005 4.162 296 1HG2 VAL 39 1HG2 VAL 39 -3.969 4.558 5.458 297 2HG2 VAL 39 2HG2 VAL 39 -5.652 4.946 5.030 298 3HG2 VAL 39 3HG2 VAL 39 -4.703 3.832 4.023 299 H ASN 40 H ASN 40 -7.076 4.675 2.758 300 HA ASN 40 HA ASN 40 -8.868 6.952 3.271 301 1HB ASN 40 2HB ASN 40 -8.778 6.286 0.803 302 2HB ASN 40 3HB ASN 40 -9.476 4.735 1.263 303 1HD2 ASN 40 1HD2 ASN 40 -11.314 5.464 -0.187 304 2HD2 ASN 40 2HD2 ASN 40 -12.546 6.467 0.554 305 H LEU 41 H LEU 41 -8.403 5.936 5.440 306 HA LEU 41 HA LEU 41 -9.581 3.388 6.065 307 1HB LEU 41 2HB LEU 41 -9.023 5.763 7.891 308 2HB LEU 41 3HB LEU 41 -9.437 4.122 8.402 309 HG LEU 41 HG LEU 41 -6.931 5.029 6.951 310 1HD1 LEU 41 1HD1 LEU 41 -7.390 3.606 9.615 311 2HD1 LEU 41 2HD1 LEU 41 -5.825 4.166 8.985 312 3HD1 LEU 41 3HD1 LEU 41 -7.076 5.346 9.405 313 1HD2 LEU 41 1HD2 LEU 41 -7.393 2.902 5.919 314 2HD2 LEU 41 2HD2 LEU 41 -6.279 2.541 7.231 315 3HD2 LEU 41 3HD2 LEU 41 -8.005 2.226 7.451 316 H ALA 42 H ALA 42 -11.074 6.352 5.342 317 HA ALA 42 HA ALA 42 -13.559 6.022 6.759 318 1HB ALA 42 1HB ALA 42 -12.880 8.098 5.500 319 2HB ALA 42 2HB ALA 42 -13.082 7.186 3.985 320 3HB ALA 42 3HB ALA 42 -14.477 7.474 5.034 321 H THR 43 H THR 43 -11.985 4.149 4.299 322 HA THR 43 HA THR 43 -14.414 2.477 3.989 323 HB THR 43 HB THR 43 -12.490 3.384 1.787 324 HG1 THR 43 1HG THR 43 -14.852 4.449 2.795 325 1HG2 THR 43 1HG2 THR 43 -13.537 1.331 1.078 326 2HG2 THR 43 2HG2 THR 43 -15.124 1.872 1.683 327 3HG2 THR 43 3HG2 THR 43 -14.368 2.667 0.279 328 H GLU 44 H GLU 44 -11.823 2.369 5.690 329 HA GLU 44 HA GLU 44 -10.041 1.003 6.101 330 1HB GLU 44 2HB GLU 44 -12.136 -1.001 5.135 331 2HB GLU 44 3HB GLU 44 -10.739 -1.379 6.115 332 1HG GLU 44 2HG GLU 44 -12.311 -1.165 7.766 333 2HG GLU 44 3HG GLU 44 -11.716 0.499 7.746 334 H THR 45 H THR 45 -9.748 2.173 3.467 335 HA THR 45 HA THR 45 -8.519 -0.027 1.886 336 HB THR 45 HB THR 45 -10.490 2.118 1.003 337 HG1 THR 45 1HG THR 45 -11.357 0.155 1.808 338 1HG2 THR 45 1HG2 THR 45 -8.750 1.941 -0.773 339 2HG2 THR 45 2HG2 THR 45 -8.986 0.175 -0.796 340 3HG2 THR 45 3HG2 THR 45 -10.298 1.248 -1.276 341 H VAL 46 H VAL 46 -6.817 0.603 0.559 342 HA VAL 46 HA VAL 46 -5.901 3.410 0.847 343 HB VAL 46 HB VAL 46 -4.774 2.115 2.525 344 1HG1 VAL 46 1HG1 VAL 46 -4.849 -0.154 1.409 345 2HG1 VAL 46 2HG1 VAL 46 -3.618 0.393 0.265 346 3HG1 VAL 46 3HG1 VAL 46 -3.225 0.270 1.984 347 1HG2 VAL 46 1HG2 VAL 46 -3.502 3.932 1.237 348 2HG2 VAL 46 2HG2 VAL 46 -2.504 2.701 2.006 349 3HG2 VAL 46 3HG2 VAL 46 -2.822 2.646 0.249 350 H ASN 47 H ASN 47 -4.830 4.215 -0.891 351 HA ASN 47 HA ASN 47 -4.868 2.558 -3.345 352 1HB ASN 47 2HB ASN 47 -6.523 4.408 -3.365 353 2HB ASN 47 3HB ASN 47 -5.234 5.568 -3.026 354 1HD2 ASN 47 1HD2 ASN 47 -3.413 5.710 -4.741 355 2HD2 ASN 47 2HD2 ASN 47 -3.932 5.447 -6.398 356 H VAL 48 H VAL 48 -2.952 2.558 -4.559 357 HA VAL 48 HA VAL 48 -0.936 4.538 -3.896 358 HB VAL 48 HB VAL 48 -0.349 2.867 -2.267 359 1HG1 VAL 48 1HG1 VAL 48 -1.291 0.848 -3.315 360 2HG1 VAL 48 2HG1 VAL 48 -0.010 0.902 -4.553 361 3HG1 VAL 48 3HG1 VAL 48 0.401 0.619 -2.854 362 1HG2 VAL 48 1HG2 VAL 48 1.986 2.490 -2.855 363 2HG2 VAL 48 2HG2 VAL 48 1.648 2.826 -4.562 364 3HG2 VAL 48 3HG2 VAL 48 1.488 4.113 -3.345 365 H ILE 49 H ILE 49 0.384 5.024 -5.525 366 HA ILE 49 HA ILE 49 -0.345 3.950 -8.189 367 HB ILE 49 HB ILE 49 0.934 6.614 -7.470 368 1HG1 ILE 49 2HG1 ILE 49 -1.983 5.929 -8.033 369 2HG1 ILE 49 3HG1 ILE 49 -1.320 6.546 -6.514 370 1HG2 ILE 49 1HG2 ILE 49 -0.405 5.683 -10.051 371 2HG2 ILE 49 2HG2 ILE 49 0.474 7.206 -9.787 372 3HG2 ILE 49 3HG2 ILE 49 1.348 5.683 -9.795 373 1HD1 ILE 49 1HD1 ILE 49 -0.631 8.640 -7.691 374 2HD1 ILE 49 2HD1 ILE 49 -1.499 8.064 -9.135 375 3HD1 ILE 49 3HD1 ILE 49 -2.386 8.362 -7.633 376 H TYR 50 H TYR 50 1.238 2.849 -9.286 377 HA TYR 50 HA TYR 50 4.050 3.346 -8.718 378 1HB TYR 50 2HB TYR 50 4.478 0.876 -8.291 379 2HB TYR 50 3HB TYR 50 3.758 1.731 -6.964 380 HD1 TYR 50 HD1 TYR 50 2.741 -0.330 -10.018 381 HD2 TYR 50 HD2 TYR 50 1.945 0.671 -5.897 382 HE1 TYR 50 HE1 TYR 50 0.938 -1.990 -9.969 383 HE2 TYR 50 HE2 TYR 50 0.323 -1.180 -5.790 384 HH TYR 50 HH TYR 50 -0.911 -2.735 -7.030 385 H ASP 51 H ASP 51 5.446 1.834 -10.092 386 HA ASP 51 HA ASP 51 4.130 1.637 -12.735 387 1HB ASP 51 2HB ASP 51 5.976 3.238 -12.237 388 2HB ASP 51 3HB ASP 51 7.072 1.883 -12.106 389 HA PRO 52 HA PRO 52 4.814 -2.846 -12.142 390 1HB PRO 52 2HB PRO 52 3.568 -3.797 -14.327 391 2HB PRO 52 3HB PRO 52 2.667 -3.003 -13.005 392 1HG PRO 52 2HG PRO 52 3.653 -1.719 -15.574 393 2HG PRO 52 3HG PRO 52 1.983 -1.703 -14.930 394 1HD PRO 52 2HD PRO 52 3.739 0.326 -14.496 395 2HD PRO 52 3HD PRO 52 2.586 -0.169 -13.213 396 H ALA 53 H ALA 53 6.814 -0.913 -13.613 397 HA ALA 53 HA ALA 53 8.179 -2.908 -15.350 398 1HB ALA 53 1HB ALA 53 8.909 -0.083 -14.471 399 2HB ALA 53 2HB ALA 53 9.877 -1.108 -15.551 400 3HB ALA 53 3HB ALA 53 8.255 -0.570 -16.042 401 H GLU 54 H GLU 54 8.672 -1.031 -12.360 402 HA GLU 54 HA GLU 54 10.602 -2.985 -11.261 403 1HB GLU 54 2HB GLU 54 9.505 -0.293 -10.329 404 2HB GLU 54 3HB GLU 54 10.668 -1.260 -9.459 405 1HG GLU 54 2HG GLU 54 11.941 0.373 -10.624 406 2HG GLU 54 3HG GLU 54 12.183 -1.123 -11.544 407 H THR 55 H THR 55 7.368 -1.688 -10.686 408 HA THR 55 HA THR 55 7.092 -3.195 -8.171 409 HB THR 55 HB THR 55 6.366 -0.400 -8.823 410 HG1 THR 55 1HG THR 55 8.509 -1.745 -7.593 411 1HG2 THR 55 1HG2 THR 55 4.906 -1.149 -7.126 412 2HG2 THR 55 2HG2 THR 55 6.183 -2.075 -6.272 413 3HG2 THR 55 3HG2 THR 55 6.207 -0.274 -6.306 414 H GLY 56 H GLY 56 5.390 -4.341 -7.710 415 1HA GLY 56 2HA GLY 56 2.882 -3.097 -8.065 416 2HA GLY 56 3HA GLY 56 2.932 -4.632 -8.966 417 H THR 57 H THR 57 1.244 -4.854 -7.326 418 HA THR 57 HA THR 57 1.185 -5.410 -4.711 419 HB THR 57 HB THR 57 -0.823 -5.812 -5.602 420 HG1 THR 57 1HG THR 57 -0.480 -7.778 -4.499 421 1HG2 THR 57 1HG2 THR 57 -1.273 -7.181 -7.632 422 2HG2 THR 57 2HG2 THR 57 -0.324 -5.754 -7.999 423 3HG2 THR 57 3HG2 THR 57 0.473 -7.353 -7.909 424 H ALA 58 H ALA 58 2.886 -7.574 -7.014 425 HA ALA 58 HA ALA 58 3.582 -9.607 -5.246 426 1HB ALA 58 1HB ALA 58 5.597 -9.901 -6.677 427 2HB ALA 58 2HB ALA 58 4.135 -9.636 -7.649 428 3HB ALA 58 3HB ALA 58 5.303 -8.316 -7.418 429 H ALA 59 H ALA 59 5.236 -6.418 -5.581 430 HA ALA 59 HA ALA 59 7.386 -7.269 -3.709 431 1HB ALA 59 1HB ALA 59 6.883 -4.561 -5.033 432 2HB ALA 59 2HB ALA 59 8.340 -5.081 -4.162 433 3HB ALA 59 3HB ALA 59 7.923 -5.833 -5.711 434 H ILE 60 H ILE 60 4.472 -5.397 -4.016 435 HA ILE 60 HA ILE 60 4.781 -3.909 -1.633 436 HB ILE 60 HB ILE 60 2.869 -4.209 -3.855 437 1HG1 ILE 60 2HG1 ILE 60 3.396 -1.817 -2.173 438 2HG1 ILE 60 3HG1 ILE 60 4.688 -2.424 -3.219 439 1HG2 ILE 60 1HG2 ILE 60 1.045 -2.926 -2.668 440 2HG2 ILE 60 2HG2 ILE 60 1.168 -4.640 -2.321 441 3HG2 ILE 60 3HG2 ILE 60 1.760 -3.472 -1.134 442 1HD1 ILE 60 1HD1 ILE 60 1.957 -1.514 -4.179 443 2HD1 ILE 60 2HD1 ILE 60 3.503 -0.667 -4.377 444 3HD1 ILE 60 3HD1 ILE 60 3.235 -2.215 -5.201 445 H GLN 61 H GLN 61 2.715 -6.838 -2.218 446 HA GLN 61 HA GLN 61 1.763 -7.041 0.444 447 1HB GLN 61 2HB GLN 61 2.256 -9.035 -1.765 448 2HB GLN 61 3HB GLN 61 2.082 -9.625 -0.108 449 1HG GLN 61 2HG GLN 61 -0.051 -9.804 -0.907 450 2HG GLN 61 3HG GLN 61 -0.089 -8.354 0.087 451 1HE2 GLN 61 1HE2 GLN 61 0.455 -6.276 -1.323 452 2HE2 GLN 61 2HE2 GLN 61 -0.487 -6.171 -2.800 453 H GLU 62 H GLU 62 4.749 -8.387 -0.982 454 HA GLU 62 HA GLU 62 5.882 -9.587 1.220 455 1HB GLU 62 2HB GLU 62 6.702 -8.894 -1.349 456 2HB GLU 62 3HB GLU 62 7.745 -7.838 -0.411 457 1HG GLU 62 2HG GLU 62 7.479 -10.858 -0.026 458 2HG GLU 62 3HG GLU 62 8.684 -10.063 -1.052 459 H LYS 63 H LYS 63 6.291 -6.088 0.401 460 HA LYS 63 HA LYS 63 7.665 -5.725 2.909 461 1HB LYS 63 2HB LYS 63 7.177 -4.166 0.497 462 2HB LYS 63 3HB LYS 63 6.760 -3.223 1.922 463 1HG LYS 63 2HG LYS 63 9.124 -2.912 1.474 464 2HG LYS 63 3HG LYS 63 8.958 -3.879 2.946 465 1HD LYS 63 2HD LYS 63 9.120 -5.964 1.246 466 2HD LYS 63 3HD LYS 63 9.803 -4.788 0.151 467 1HE LYS 63 2HE LYS 63 10.798 -5.543 2.948 468 2HE LYS 63 3HE LYS 63 11.497 -6.083 1.420 469 1HZ LYS 63 1HZ LYS 63 12.056 -3.801 0.927 470 2HZ LYS 63 2HZ LYS 63 11.397 -3.285 2.344 471 3HZ LYS 63 3HZ LYS 63 12.727 -4.256 2.359 472 H ILE 64 H ILE 64 4.270 -5.204 1.924 473 HA ILE 64 HA ILE 64 3.365 -3.812 4.163 474 HB ILE 64 HB ILE 64 2.038 -5.931 2.458 475 1HG1 ILE 64 2HG1 ILE 64 2.656 -3.739 1.302 476 2HG1 ILE 64 3HG1 ILE 64 0.974 -4.266 1.242 477 1HG2 ILE 64 1HG2 ILE 64 -0.085 -4.831 3.390 478 2HG2 ILE 64 2HG2 ILE 64 0.779 -5.967 4.415 479 3HG2 ILE 64 3HG2 ILE 64 0.957 -4.211 4.687 480 1HD1 ILE 64 1HD1 ILE 64 0.916 -1.961 1.628 481 2HD1 ILE 64 2HD1 ILE 64 0.584 -2.627 3.196 482 3HD1 ILE 64 3HD1 ILE 64 2.241 -2.054 2.815 483 H GLU 65 H GLU 65 3.753 -7.416 3.643 484 HA GLU 65 HA GLU 65 2.870 -8.367 6.162 485 1HB GLU 65 2HB GLU 65 4.820 -9.286 4.075 486 2HB GLU 65 3HB GLU 65 4.767 -10.124 5.632 487 1HG GLU 65 2HG GLU 65 2.162 -9.636 4.193 488 2HG GLU 65 3HG GLU 65 3.259 -10.883 3.588 489 H LYS 66 H LYS 66 6.142 -7.320 5.179 490 HA LYS 66 HA LYS 66 7.268 -7.694 7.770 491 1HB LYS 66 2HB LYS 66 8.165 -7.137 5.202 492 2HB LYS 66 3HB LYS 66 8.528 -5.644 6.046 493 1HG LYS 66 2HG LYS 66 9.333 -8.491 6.853 494 2HG LYS 66 3HG LYS 66 10.409 -7.346 6.064 495 1HD LYS 66 2HD LYS 66 9.193 -6.992 8.851 496 2HD LYS 66 3HD LYS 66 10.809 -7.606 8.508 497 1HE LYS 66 2HE LYS 66 11.409 -5.461 7.388 498 2HE LYS 66 3HE LYS 66 9.801 -4.811 7.762 499 1HZ LYS 66 1HZ LYS 66 11.451 -4.114 9.345 500 2HZ LYS 66 2HZ LYS 66 10.278 -5.011 10.070 501 3HZ LYS 66 3HZ LYS 66 11.763 -5.668 9.778 502 H LEU 67 H LEU 67 5.572 -4.974 6.296 503 HA LEU 67 HA LEU 67 6.248 -2.992 8.282 504 1HB LEU 67 2HB LEU 67 3.759 -3.204 6.535 505 2HB LEU 67 3HB LEU 67 4.233 -1.818 7.434 506 HG LEU 67 HG LEU 67 5.163 -2.755 4.840 507 1HD1 LEU 67 1HD1 LEU 67 5.153 -0.037 6.040 508 2HD1 LEU 67 2HD1 LEU 67 5.435 -0.499 4.337 509 3HD1 LEU 67 3HD1 LEU 67 3.884 -0.860 5.080 510 1HD2 LEU 67 1HD2 LEU 67 7.189 -1.440 6.741 511 2HD2 LEU 67 2HD2 LEU 67 7.390 -3.056 6.022 512 3HD2 LEU 67 3HD2 LEU 67 7.406 -1.630 4.991 513 H GLY 68 H GLY 68 4.252 -5.839 8.331 514 1HA GLY 68 2HA GLY 68 3.719 -6.861 10.349 515 2HA GLY 68 3HA GLY 68 3.600 -5.298 11.173 516 H TYR 69 H TYR 69 2.124 -5.988 7.950 517 HA TYR 69 HA TYR 69 -0.557 -6.288 9.195 518 1HB TYR 69 2HB TYR 69 0.101 -4.154 7.124 519 2HB TYR 69 3HB TYR 69 -1.487 -4.506 7.794 520 HD1 TYR 69 HD1 TYR 69 1.896 -3.176 8.577 521 HD2 TYR 69 HD2 TYR 69 -2.219 -3.417 9.828 522 HE1 TYR 69 HE1 TYR 69 2.361 -1.567 10.377 523 HE2 TYR 69 HE2 TYR 69 -1.796 -1.623 11.492 524 HH TYR 69 HH TYR 69 1.447 -0.259 12.049 525 H HIS 70 H HIS 70 -2.137 -6.802 7.335 526 HA HIS 70 HA HIS 70 -0.712 -7.925 4.979 527 1HB HIS 70 2HB HIS 70 -1.422 -9.942 5.405 528 2HB HIS 70 3HB HIS 70 -2.134 -9.439 6.923 529 HD1 HIS 70 1HD HIS 70 -3.308 -9.130 3.210 530 HD2 HIS 70 2HD HIS 70 -4.661 -9.758 7.148 531 HE1 HIS 70 1HE HIS 70 -5.779 -8.852 3.192 532 H VAL 71 H VAL 71 -1.433 -7.163 3.166 533 HA VAL 71 HA VAL 71 -3.984 -5.621 3.058 534 HB VAL 71 HB VAL 71 -1.898 -4.448 2.329 535 1HG1 VAL 71 1HG1 VAL 71 -2.076 -6.299 -0.087 536 2HG1 VAL 71 2HG1 VAL 71 -0.994 -4.913 0.107 537 3HG1 VAL 71 3HG1 VAL 71 -0.778 -6.340 1.140 538 1HG2 VAL 71 1HG2 VAL 71 -4.093 -4.774 0.307 539 2HG2 VAL 71 2HG2 VAL 71 -4.041 -3.641 1.669 540 3HG2 VAL 71 3HG2 VAL 71 -2.893 -3.456 0.342 541 H VAL 72 H VAL 72 -5.613 -6.193 1.546 542 HA VAL 72 HA VAL 72 -5.400 -8.999 0.424 543 HB VAL 72 HB VAL 72 -7.929 -8.496 -0.048 544 1HG1 VAL 72 1HG1 VAL 72 -7.820 -9.174 2.801 545 2HG1 VAL 72 2HG1 VAL 72 -8.579 -9.969 1.440 546 3HG1 VAL 72 3HG1 VAL 72 -6.852 -10.217 1.714 547 1HG2 VAL 72 1HG2 VAL 72 -7.945 -6.204 0.771 548 2HG2 VAL 72 2HG2 VAL 72 -9.086 -7.253 1.647 549 3HG2 VAL 72 3HG2 VAL 72 -7.574 -6.779 2.425 550 H ILE 73 H ILE 73 -6.445 -9.267 -1.730 551 HA ILE 73 HA ILE 73 -6.361 -6.811 -3.414 552 HB ILE 73 HB ILE 73 -5.379 -9.603 -4.154 553 1HG1 ILE 73 2HG1 ILE 73 -3.781 -8.431 -2.632 554 2HG1 ILE 73 3HG1 ILE 73 -3.168 -8.789 -4.227 555 1HG2 ILE 73 1HG2 ILE 73 -6.360 -8.508 -6.086 556 2HG2 ILE 73 2HG2 ILE 73 -5.474 -7.010 -5.754 557 3HG2 ILE 73 3HG2 ILE 73 -4.598 -8.476 -6.250 558 1HD1 ILE 73 1HD1 ILE 73 -2.558 -6.506 -3.335 559 2HD1 ILE 73 2HD1 ILE 73 -3.335 -6.473 -4.923 560 3HD1 ILE 73 3HD1 ILE 73 -4.251 -6.035 -3.467 561 H GLU 74 H GLU 74 -8.487 -6.555 -3.229 562 HA GLU 74 HA GLU 74 -10.603 -8.350 -3.393 563 1HB GLU 74 2HB GLU 74 -11.841 -6.369 -4.511 564 2HB GLU 74 3HB GLU 74 -11.278 -6.236 -2.867 565 1HG GLU 74 2HG GLU 74 -9.213 -4.936 -3.827 566 2HG GLU 74 3HG GLU 74 -10.084 -4.966 -5.358 567 H GLY 75 H GLY 75 -10.533 -10.049 -4.771 568 1HA GLY 75 2HA GLY 75 -11.100 -11.145 -6.706 569 2HA GLY 75 3HA GLY 75 -11.402 -9.595 -7.503 570 H ARG 76 H ARG 76 -9.750 -8.685 -8.810 571 HA ARG 76 HA ARG 76 -7.029 -9.325 -8.559 572 1HB ARG 76 2HB ARG 76 -8.367 -10.017 -11.233 573 2HB ARG 76 3HB ARG 76 -6.657 -9.821 -10.928 574 1HG ARG 76 2HG ARG 76 -6.669 -12.062 -10.855 575 2HG ARG 76 3HG ARG 76 -6.973 -11.744 -9.153 576 1HD ARG 76 2HD ARG 76 -8.423 -13.503 -9.915 577 2HD ARG 76 3HD ARG 76 -9.447 -12.128 -9.589 578 HE ARG 76 HE ARG 76 -8.654 -13.297 -12.214 579 1HH1 ARG 76 2HH2 ARG 76 -10.410 -10.671 -10.643 580 2HH1 ARG 76 1HH2 ARG 76 -11.575 -10.465 -11.911 581 1HH2 ARG 76 2HH1 ARG 76 -10.072 -12.953 -13.986 582 2HH2 ARG 76 1HH1 ARG 76 -11.311 -11.745 -13.901 Start of MODEL 24 1 1H MET 1 H1 MET 1 7.216 -3.083 -25.338 2 2H MET 1 H2 MET 1 6.908 -3.660 -26.859 3 3H MET 1 H3 MET 1 7.752 -2.249 -26.650 4 HA MET 1 HA MET 1 5.558 -1.771 -27.363 5 1HB MET 1 2HB MET 1 4.827 -3.270 -24.812 6 2HB MET 1 3HB MET 1 3.747 -2.087 -25.576 7 1HG MET 1 2HG MET 1 3.732 -3.326 -27.658 8 2HG MET 1 3HG MET 1 4.789 -4.572 -26.969 9 1HE MET 1 1HE MET 1 1.874 -4.942 -28.414 10 2HE MET 1 2HE MET 1 2.934 -6.285 -27.912 11 3HE MET 1 3HE MET 1 1.233 -6.249 -27.392 12 H LEU 2 H LEU 2 4.916 -1.195 -23.985 13 HA LEU 2 HA LEU 2 6.628 1.159 -23.828 14 1HB LEU 2 2HB LEU 2 3.875 1.339 -24.741 15 2HB LEU 2 3HB LEU 2 3.879 1.823 -23.062 16 HG LEU 2 HG LEU 2 6.020 3.294 -23.941 17 1HD1 LEU 2 1HD1 LEU 2 4.063 3.152 -26.287 18 2HD1 LEU 2 2HD1 LEU 2 5.457 4.239 -26.144 19 3HD1 LEU 2 3HD1 LEU 2 5.712 2.490 -26.299 20 1HD2 LEU 2 1HD2 LEU 2 4.447 5.187 -24.081 21 2HD2 LEU 2 2HD2 LEU 2 3.079 4.052 -24.110 22 3HD2 LEU 2 3HD2 LEU 2 4.124 4.158 -22.677 23 H SER 3 H SER 3 6.100 2.161 -21.533 24 HA SER 3 HA SER 3 5.112 0.143 -19.592 25 1HB SER 3 2HB SER 3 6.686 1.401 -17.986 26 2HB SER 3 3HB SER 3 7.451 0.272 -19.122 27 HG SER 3 HG SER 3 8.384 2.479 -18.933 28 H GLU 4 H GLU 4 3.722 1.151 -17.956 29 HA GLU 4 HA GLU 4 3.482 3.959 -17.855 30 1HB GLU 4 2HB GLU 4 1.898 3.010 -19.837 31 2HB GLU 4 3HB GLU 4 0.873 2.519 -18.472 32 1HG GLU 4 2HG GLU 4 1.067 4.860 -17.600 33 2HG GLU 4 3HG GLU 4 2.018 5.264 -19.044 34 H GLN 5 H GLN 5 2.461 4.503 -15.921 35 HA GLN 5 HA GLN 5 2.472 2.381 -13.889 36 1HB GLN 5 2HB GLN 5 2.359 4.224 -12.308 37 2HB GLN 5 3HB GLN 5 3.701 4.406 -13.456 38 1HG GLN 5 2HG GLN 5 2.157 6.062 -14.724 39 2HG GLN 5 3HG GLN 5 1.065 5.946 -13.338 40 1HE2 GLN 5 1HE2 GLN 5 3.442 5.632 -11.435 41 2HE2 GLN 5 2HE2 GLN 5 4.130 7.202 -11.317 42 H LYS 6 H LYS 6 0.769 2.529 -12.109 43 HA LYS 6 HA LYS 6 -1.851 3.516 -12.974 44 1HB LYS 6 2HB LYS 6 -1.154 0.580 -12.880 45 2HB LYS 6 3HB LYS 6 -2.665 1.065 -12.110 46 1HG LYS 6 2HG LYS 6 -3.335 2.264 -14.196 47 2HG LYS 6 3HG LYS 6 -1.918 1.549 -14.999 48 1HD LYS 6 2HD LYS 6 -2.746 -0.730 -14.301 49 2HD LYS 6 3HD LYS 6 -4.220 0.013 -13.670 50 1HE LYS 6 2HE LYS 6 -3.238 0.087 -16.575 51 2HE LYS 6 3HE LYS 6 -4.519 -0.960 -15.951 52 1HZ LYS 6 1HZ LYS 6 -5.415 0.965 -17.032 53 2HZ LYS 6 2HZ LYS 6 -5.796 1.019 -15.433 54 3HZ LYS 6 3HZ LYS 6 -4.605 1.985 -16.035 55 H GLU 7 H GLU 7 -3.387 3.424 -11.241 56 HA GLU 7 HA GLU 7 -2.288 3.417 -8.504 57 1HB GLU 7 2HB GLU 7 -4.713 3.927 -7.974 58 2HB GLU 7 3HB GLU 7 -3.816 5.201 -8.798 59 1HG GLU 7 2HG GLU 7 -4.916 4.824 -10.874 60 2HG GLU 7 3HG GLU 7 -5.582 3.263 -10.337 61 H ILE 8 H ILE 8 -2.610 1.708 -7.175 62 HA ILE 8 HA ILE 8 -4.662 -0.307 -7.928 63 HB ILE 8 HB ILE 8 -2.107 -0.977 -7.512 64 1HG1 ILE 8 2HG1 ILE 8 -2.772 -3.135 -6.519 65 2HG1 ILE 8 3HG1 ILE 8 -4.422 -2.525 -6.298 66 1HG2 ILE 8 1HG2 ILE 8 -3.126 -0.794 -4.651 67 2HG2 ILE 8 2HG2 ILE 8 -1.625 -1.552 -5.174 68 3HG2 ILE 8 3HG2 ILE 8 -1.871 0.189 -5.411 69 1HD1 ILE 8 1HD1 ILE 8 -3.921 -3.906 -8.423 70 2HD1 ILE 8 2HD1 ILE 8 -4.730 -2.356 -8.700 71 3HD1 ILE 8 3HD1 ILE 8 -2.987 -2.508 -8.996 72 H ALA 9 H ALA 9 -6.101 -0.797 -6.145 73 HA ALA 9 HA ALA 9 -5.911 0.817 -3.733 74 1HB ALA 9 1HB ALA 9 -7.255 2.276 -5.228 75 2HB ALA 9 2HB ALA 9 -8.376 0.928 -5.523 76 3HB ALA 9 3HB ALA 9 -8.231 1.627 -3.895 77 H MET 10 H MET 10 -6.461 -0.481 -2.000 78 HA MET 10 HA MET 10 -8.411 -2.624 -2.334 79 1HB MET 10 2HB MET 10 -6.994 -4.455 -1.896 80 2HB MET 10 3HB MET 10 -6.526 -3.720 -3.404 81 1HG MET 10 2HG MET 10 -5.019 -2.720 -1.017 82 2HG MET 10 3HG MET 10 -4.793 -4.406 -1.460 83 1HE MET 10 1HE MET 10 -2.537 -2.063 -1.329 84 2HE MET 10 2HE MET 10 -2.168 -3.781 -1.653 85 3HE MET 10 3HE MET 10 -1.563 -2.514 -2.744 86 H GLN 11 H GLN 11 -8.190 -4.096 -0.207 87 HA GLN 11 HA GLN 11 -8.508 -2.123 1.982 88 1HB GLN 11 2HB GLN 11 -9.499 -4.985 1.968 89 2HB GLN 11 3HB GLN 11 -9.838 -3.718 3.124 90 1HG GLN 11 2HG GLN 11 -11.754 -4.030 1.701 91 2HG GLN 11 3HG GLN 11 -11.062 -2.429 1.428 92 1HE2 GLN 11 1HE2 GLN 11 -10.045 -5.675 0.163 93 2HE2 GLN 11 2HE2 GLN 11 -10.275 -5.256 -1.517 94 H VAL 12 H VAL 12 -7.642 -2.526 4.032 95 HA VAL 12 HA VAL 12 -5.343 -4.422 4.081 96 HB VAL 12 HB VAL 12 -5.328 -1.992 5.833 97 1HG1 VAL 12 1HG1 VAL 12 -2.902 -2.163 5.374 98 2HG1 VAL 12 2HG1 VAL 12 -3.531 -3.657 6.081 99 3HG1 VAL 12 3HG1 VAL 12 -3.193 -3.559 4.334 100 1HG2 VAL 12 1HG2 VAL 12 -4.639 -2.012 2.876 101 2HG2 VAL 12 2HG2 VAL 12 -5.822 -0.951 3.684 102 3HG2 VAL 12 3HG2 VAL 12 -4.100 -0.757 4.024 103 H SER 13 H SER 13 -4.820 -5.259 6.305 104 HA SER 13 HA SER 13 -7.109 -5.050 8.183 105 1HB SER 13 2HB SER 13 -6.778 -7.277 6.647 106 2HB SER 13 3HB SER 13 -5.685 -7.680 7.926 107 HG SER 13 HG SER 13 -7.785 -8.356 8.453 108 H GLY 14 H GLY 14 -6.463 -5.048 10.351 109 1HA GLY 14 2HA GLY 14 -4.873 -5.267 12.098 110 2HA GLY 14 3HA GLY 14 -3.540 -5.025 10.977 111 H MET 15 H MET 15 -5.241 -2.654 9.803 112 HA MET 15 HA MET 15 -3.912 -0.599 11.196 113 1HB MET 15 2HB MET 15 -5.250 0.974 9.945 114 2HB MET 15 3HB MET 15 -4.644 -0.314 8.892 115 1HG MET 15 2HG MET 15 -7.490 -0.334 9.979 116 2HG MET 15 3HG MET 15 -7.013 0.547 8.539 117 1HE MET 15 1HE MET 15 -9.214 -0.969 7.923 118 2HE MET 15 2HE MET 15 -8.155 -0.340 6.629 119 3HE MET 15 3HE MET 15 -8.746 -2.008 6.551 120 H THR 16 H THR 16 -4.491 0.913 12.729 121 HA THR 16 HA THR 16 -7.167 0.712 14.046 122 HB THR 16 HB THR 16 -5.871 1.105 16.193 123 HG1 THR 16 1HG THR 16 -3.896 1.772 15.188 124 1HG2 THR 16 1HG2 THR 16 -5.156 -1.482 14.748 125 2HG2 THR 16 2HG2 THR 16 -5.233 -1.214 16.495 126 3HG2 THR 16 3HG2 THR 16 -6.720 -1.156 15.525 127 H CYS 17 H CYS 17 -6.548 2.480 11.976 128 HA CYS 17 HA CYS 17 -6.396 4.636 11.385 129 1HB CYS 17 2HB CYS 17 -8.637 4.454 12.570 130 2HB CYS 17 3HB CYS 17 -7.893 5.335 13.924 131 HG CYS 17 HG CYS 17 -9.314 6.950 12.397 132 H ALA 18 H ALA 18 -6.275 6.900 13.645 133 HA ALA 18 HA ALA 18 -4.526 8.307 14.095 134 1HB ALA 18 1HB ALA 18 -3.877 5.848 15.760 135 2HB ALA 18 2HB ALA 18 -3.381 7.520 16.112 136 3HB ALA 18 3HB ALA 18 -5.099 7.082 16.137 137 H ALA 19 H ALA 19 -3.789 7.741 11.717 138 HA ALA 19 HA ALA 19 -2.096 7.658 10.238 139 1HB ALA 19 1HB ALA 19 0.055 8.538 10.939 140 2HB ALA 19 2HB ALA 19 -1.243 9.415 11.768 141 3HB ALA 19 3HB ALA 19 -0.302 8.185 12.639 142 H CYS 20 H CYS 20 -2.723 5.046 11.807 143 HA CYS 20 HA CYS 20 -0.218 3.582 11.857 144 1HB CYS 20 2HB CYS 20 -3.106 2.621 12.003 145 2HB CYS 20 3HB CYS 20 -1.682 1.579 12.144 146 HG CYS 20 HG CYS 20 -2.331 4.260 13.950 147 H ALA 21 H ALA 21 -3.134 3.250 9.754 148 HA ALA 21 HA ALA 21 -1.873 1.609 7.849 149 1HB ALA 21 1HB ALA 21 -3.724 2.221 6.345 150 2HB ALA 21 2HB ALA 21 -4.264 1.807 7.982 151 3HB ALA 21 3HB ALA 21 -4.181 3.511 7.487 152 H ALA 22 H ALA 22 -1.901 5.108 8.180 153 HA ALA 22 HA ALA 22 -0.748 5.806 5.688 154 1HB ALA 22 1HB ALA 22 0.093 7.794 6.919 155 2HB ALA 22 2HB ALA 22 -1.605 7.449 7.331 156 3HB ALA 22 3HB ALA 22 -0.316 7.008 8.463 157 H ARG 23 H ARG 23 0.811 4.503 8.697 158 HA ARG 23 HA ARG 23 3.514 4.797 7.716 159 1HB ARG 23 2HB ARG 23 2.308 2.924 9.785 160 2HB ARG 23 3HB ARG 23 4.011 2.969 9.390 161 1HG ARG 23 2HG ARG 23 2.616 5.550 10.138 162 2HG ARG 23 3HG ARG 23 3.057 4.387 11.390 163 1HD ARG 23 2HD ARG 23 5.442 4.427 10.600 164 2HD ARG 23 3HD ARG 23 4.990 5.529 9.309 165 HE ARG 23 HE ARG 23 5.073 7.288 10.721 166 1HH1 ARG 23 2HH2 ARG 23 4.746 4.379 12.672 167 2HH1 ARG 23 1HH2 ARG 23 5.027 5.157 14.199 168 1HH2 ARG 23 2HH1 ARG 23 5.479 8.375 12.719 169 2HH2 ARG 23 1HH1 ARG 23 5.452 7.499 14.213 170 H ILE 24 H ILE 24 1.086 2.198 7.546 171 HA ILE 24 HA ILE 24 2.626 0.162 6.394 172 HB ILE 24 HB ILE 24 -0.265 0.840 5.644 173 1HG1 ILE 24 2HG1 ILE 24 0.781 -0.980 7.814 174 2HG1 ILE 24 3HG1 ILE 24 0.059 0.587 8.133 175 1HG2 ILE 24 1HG2 ILE 24 -0.439 -1.529 5.081 176 2HG2 ILE 24 2HG2 ILE 24 0.769 -0.704 4.117 177 3HG2 ILE 24 3HG2 ILE 24 1.281 -1.745 5.480 178 1HD1 ILE 24 1HD1 ILE 24 -1.771 -0.828 8.451 179 2HD1 ILE 24 2HD1 ILE 24 -2.007 -0.333 6.768 180 3HD1 ILE 24 3HD1 ILE 24 -1.304 -1.917 7.134 181 H GLU 25 H GLU 25 0.619 2.601 4.665 182 HA GLU 25 HA GLU 25 1.775 1.777 2.196 183 1HB GLU 25 2HB GLU 25 -0.483 3.276 2.930 184 2HB GLU 25 3HB GLU 25 0.548 4.448 2.119 185 1HG GLU 25 2HG GLU 25 -0.773 3.398 0.378 186 2HG GLU 25 3HG GLU 25 0.874 2.800 0.211 187 H LYS 26 H LYS 26 2.594 4.447 4.443 188 HA LYS 26 HA LYS 26 4.270 5.910 2.740 189 1HB LYS 26 2HB LYS 26 4.156 5.414 5.707 190 2HB LYS 26 3HB LYS 26 5.502 6.291 5.046 191 1HG LYS 26 2HG LYS 26 2.674 7.127 4.321 192 2HG LYS 26 3HG LYS 26 3.417 7.618 5.855 193 1HD LYS 26 2HD LYS 26 5.358 8.602 4.615 194 2HD LYS 26 3HD LYS 26 4.653 8.073 3.093 195 1HE LYS 26 2HE LYS 26 4.196 10.425 3.342 196 2HE LYS 26 3HE LYS 26 2.668 9.540 3.480 197 1HZ LYS 26 1HZ LYS 26 2.889 11.259 5.141 198 2HZ LYS 26 2HZ LYS 26 2.826 9.789 5.868 199 3HZ LYS 26 3HZ LYS 26 4.263 10.585 5.737 200 H GLY 27 H GLY 27 4.878 2.915 4.603 201 1HA GLY 27 2HA GLY 27 7.604 2.503 3.985 202 2HA GLY 27 3HA GLY 27 6.375 1.237 4.105 203 H LEU 28 H LEU 28 4.662 1.725 1.979 204 HA LEU 28 HA LEU 28 6.232 0.763 -0.238 205 1HB LEU 28 2HB LEU 28 3.366 1.711 -0.148 206 2HB LEU 28 3HB LEU 28 4.141 0.859 -1.483 207 HG LEU 28 HG LEU 28 3.801 -0.280 1.316 208 1HD1 LEU 28 1HD1 LEU 28 2.140 -1.726 -0.015 209 2HD1 LEU 28 2HD1 LEU 28 1.698 -0.077 0.435 210 3HD1 LEU 28 3HD1 LEU 28 2.173 -0.430 -1.223 211 1HD2 LEU 28 1HD2 LEU 28 4.362 -2.456 -0.039 212 2HD2 LEU 28 2HD2 LEU 28 5.196 -1.355 -1.151 213 3HD2 LEU 28 3HD2 LEU 28 5.664 -1.419 0.543 214 H LYS 29 H LYS 29 5.026 3.990 0.639 215 HA LYS 29 HA LYS 29 5.767 5.267 -1.805 216 1HB LYS 29 2HB LYS 29 4.311 6.387 -0.404 217 2HB LYS 29 3HB LYS 29 5.420 6.397 0.958 218 1HG LYS 29 2HG LYS 29 6.915 7.942 -0.086 219 2HG LYS 29 3HG LYS 29 6.065 7.815 -1.632 220 1HD LYS 29 2HD LYS 29 5.014 9.101 0.932 221 2HD LYS 29 3HD LYS 29 5.587 9.914 -0.533 222 1HE LYS 29 2HE LYS 29 3.719 8.432 -1.707 223 2HE LYS 29 3HE LYS 29 3.011 8.374 -0.090 224 1HZ LYS 29 1HZ LYS 29 2.915 10.798 -0.133 225 2HZ LYS 29 2HZ LYS 29 3.577 10.812 -1.652 226 3HZ LYS 29 3HZ LYS 29 2.127 10.154 -1.416 227 H ARG 30 H ARG 30 7.822 3.697 0.454 228 HA ARG 30 HA ARG 30 10.232 5.059 -0.691 229 1HB ARG 30 2HB ARG 30 9.627 3.602 1.856 230 2HB ARG 30 3HB ARG 30 11.203 3.334 1.152 231 1HG ARG 30 2HG ARG 30 11.193 5.125 2.802 232 2HG ARG 30 3HG ARG 30 11.737 5.695 1.222 233 1HD ARG 30 2HD ARG 30 8.809 5.966 1.954 234 2HD ARG 30 3HD ARG 30 9.929 7.050 2.736 235 HE ARG 30 HE ARG 30 9.184 6.981 -0.130 236 1HH1 ARG 30 2HH2 ARG 30 11.652 8.048 2.129 237 2HH1 ARG 30 1HH2 ARG 30 12.083 9.494 1.267 238 1HH2 ARG 30 2HH1 ARG 30 9.713 8.875 -1.334 239 2HH2 ARG 30 1HH1 ARG 30 10.949 9.962 -0.782 240 H MET 31 H MET 31 8.264 2.465 -1.629 241 HA MET 31 HA MET 31 10.462 0.662 -2.220 242 1HB MET 31 2HB MET 31 7.507 0.607 -2.660 243 2HB MET 31 3HB MET 31 8.510 -0.361 -3.724 244 1HG MET 31 2HG MET 31 7.655 -1.565 -1.747 245 2HG MET 31 3HG MET 31 9.391 -1.675 -1.971 246 1HE MET 31 1HE MET 31 11.157 -0.075 -0.325 247 2HE MET 31 2HE MET 31 10.818 -0.635 1.316 248 3HE MET 31 3HE MET 31 10.831 -1.799 -0.027 249 HA PRO 32 HA PRO 32 11.876 2.595 -5.870 250 1HB PRO 32 2HB PRO 32 13.143 0.546 -7.146 251 2HB PRO 32 3HB PRO 32 13.740 1.221 -5.604 252 1HG PRO 32 2HG PRO 32 12.001 -1.244 -5.979 253 2HG PRO 32 3HG PRO 32 13.511 -1.110 -5.035 254 1HD PRO 32 2HD PRO 32 11.095 -0.889 -3.846 255 2HD PRO 32 3HD PRO 32 12.439 0.189 -3.354 256 H GLY 33 H GLY 33 9.783 3.087 -6.812 257 1HA GLY 33 2HA GLY 33 9.225 2.754 -9.334 258 2HA GLY 33 3HA GLY 33 8.690 1.174 -8.832 259 H VAL 34 H VAL 34 7.980 2.823 -6.098 260 HA VAL 34 HA VAL 34 5.241 3.406 -6.728 261 HB VAL 34 HB VAL 34 6.312 2.766 -4.511 262 1HG1 VAL 34 1HG1 VAL 34 8.094 4.683 -4.858 263 2HG1 VAL 34 2HG1 VAL 34 6.859 5.729 -4.142 264 3HG1 VAL 34 3HG1 VAL 34 7.502 4.333 -3.250 265 1HG2 VAL 34 1HG2 VAL 34 4.517 5.226 -4.394 266 2HG2 VAL 34 2HG2 VAL 34 3.966 3.589 -4.801 267 3HG2 VAL 34 3HG2 VAL 34 4.650 3.912 -3.213 268 H THR 35 H THR 35 4.238 5.473 -6.767 269 HA THR 35 HA THR 35 6.006 7.841 -7.208 270 HB THR 35 HB THR 35 3.343 8.261 -8.279 271 HG1 THR 35 1HG THR 35 4.752 5.963 -9.148 272 1HG2 THR 35 1HG2 THR 35 6.038 7.991 -9.696 273 2HG2 THR 35 2HG2 THR 35 4.589 8.846 -10.283 274 3HG2 THR 35 3HG2 THR 35 5.465 9.466 -8.883 275 H ASP 36 H ASP 36 2.722 6.844 -6.051 276 HA ASP 36 HA ASP 36 3.072 8.649 -3.768 277 1HB ASP 36 2HB ASP 36 2.014 10.193 -5.284 278 2HB ASP 36 3HB ASP 36 0.800 8.992 -5.750 279 H ALA 37 H ALA 37 1.367 8.291 -2.154 280 HA ALA 37 HA ALA 37 -0.104 5.760 -2.269 281 1HB ALA 37 1HB ALA 37 1.875 6.397 -0.034 282 2HB ALA 37 2HB ALA 37 0.685 5.099 -0.054 283 3HB ALA 37 3HB ALA 37 2.029 5.069 -1.210 284 H ASN 38 H ASN 38 -2.084 6.031 -1.259 285 HA ASN 38 HA ASN 38 -2.543 8.430 0.416 286 1HB ASN 38 2HB ASN 38 -3.336 8.139 -2.415 287 2HB ASN 38 3HB ASN 38 -4.721 8.354 -1.345 288 1HD2 ASN 38 1HD2 ASN 38 -1.893 10.037 -2.763 289 2HD2 ASN 38 2HD2 ASN 38 -2.323 11.554 -2.016 290 H VAL 39 H VAL 39 -3.521 7.728 2.161 291 HA VAL 39 HA VAL 39 -4.884 5.119 2.187 292 HB VAL 39 HB VAL 39 -3.042 5.668 3.736 293 1HG1 VAL 39 1HG1 VAL 39 -3.545 8.070 4.177 294 2HG1 VAL 39 2HG1 VAL 39 -5.004 7.586 5.068 295 3HG1 VAL 39 3HG1 VAL 39 -3.403 7.114 5.657 296 1HG2 VAL 39 1HG2 VAL 39 -4.155 4.825 5.753 297 2HG2 VAL 39 2HG2 VAL 39 -5.737 5.070 4.988 298 3HG2 VAL 39 3HG2 VAL 39 -4.589 3.902 4.302 299 H ASN 40 H ASN 40 -7.003 4.720 2.661 300 HA ASN 40 HA ASN 40 -8.766 7.015 3.226 301 1HB ASN 40 2HB ASN 40 -8.751 6.372 0.765 302 2HB ASN 40 3HB ASN 40 -9.428 4.810 1.227 303 1HD2 ASN 40 1HD2 ASN 40 -11.317 5.528 -0.146 304 2HD2 ASN 40 2HD2 ASN 40 -12.533 6.513 0.642 305 H LEU 41 H LEU 41 -8.277 5.977 5.401 306 HA LEU 41 HA LEU 41 -9.516 3.466 6.026 307 1HB LEU 41 2HB LEU 41 -8.872 5.818 7.853 308 2HB LEU 41 3HB LEU 41 -9.347 4.195 8.375 309 HG LEU 41 HG LEU 41 -6.832 4.996 6.894 310 1HD1 LEU 41 1HD1 LEU 41 -7.357 3.641 9.570 311 2HD1 LEU 41 2HD1 LEU 41 -5.755 4.067 8.943 312 3HD1 LEU 41 3HD1 LEU 41 -6.912 5.355 9.322 313 1HD2 LEU 41 1HD2 LEU 41 -8.020 2.238 7.410 314 2HD2 LEU 41 2HD2 LEU 41 -7.371 2.876 5.878 315 3HD2 LEU 41 3HD2 LEU 41 -6.281 2.461 7.193 316 H ALA 42 H ALA 42 -10.964 6.461 5.346 317 HA ALA 42 HA ALA 42 -13.413 6.215 6.820 318 1HB ALA 42 1HB ALA 42 -14.362 7.619 5.075 319 2HB ALA 42 2HB ALA 42 -12.741 8.229 5.472 320 3HB ALA 42 3HB ALA 42 -13.006 7.274 3.994 321 H THR 43 H THR 43 -11.980 4.350 4.235 322 HA THR 43 HA THR 43 -14.432 2.671 4.031 323 HB THR 43 HB THR 43 -12.446 3.462 1.845 324 HG1 THR 43 1HG THR 43 -14.882 4.555 2.697 325 1HG2 THR 43 1HG2 THR 43 -14.340 2.751 0.335 326 2HG2 THR 43 2HG2 THR 43 -13.527 1.425 1.173 327 3HG2 THR 43 3HG2 THR 43 -15.108 1.999 1.757 328 H GLU 44 H GLU 44 -11.728 2.580 5.695 329 HA GLU 44 HA GLU 44 -10.017 1.159 6.122 330 1HB GLU 44 2HB GLU 44 -12.244 -0.763 5.374 331 2HB GLU 44 3HB GLU 44 -10.813 -1.224 6.270 332 1HG GLU 44 2HG GLU 44 -11.621 -0.410 8.218 333 2HG GLU 44 3HG GLU 44 -12.070 1.140 7.506 334 H THR 45 H THR 45 -9.742 2.226 3.505 335 HA THR 45 HA THR 45 -8.518 -0.008 1.979 336 HB THR 45 HB THR 45 -10.541 2.073 1.062 337 HG1 THR 45 1HG THR 45 -11.673 0.192 0.486 338 1HG2 THR 45 1HG2 THR 45 -8.783 1.895 -0.727 339 2HG2 THR 45 2HG2 THR 45 -9.061 0.139 -0.763 340 3HG2 THR 45 3HG2 THR 45 -10.351 1.247 -1.216 341 H VAL 46 H VAL 46 -6.818 0.629 0.623 342 HA VAL 46 HA VAL 46 -5.932 3.463 0.854 343 HB VAL 46 HB VAL 46 -4.779 2.222 2.566 344 1HG1 VAL 46 1HG1 VAL 46 -3.279 0.321 2.062 345 2HG1 VAL 46 2HG1 VAL 46 -4.925 -0.093 1.548 346 3HG1 VAL 46 3HG1 VAL 46 -3.715 0.380 0.350 347 1HG2 VAL 46 1HG2 VAL 46 -3.483 3.943 1.172 348 2HG2 VAL 46 2HG2 VAL 46 -2.522 2.731 2.007 349 3HG2 VAL 46 3HG2 VAL 46 -2.844 2.586 0.255 350 H ASN 47 H ASN 47 -4.663 4.163 -0.906 351 HA ASN 47 HA ASN 47 -4.505 2.281 -3.164 352 1HB ASN 47 2HB ASN 47 -5.247 3.850 -4.746 353 2HB ASN 47 3HB ASN 47 -6.378 4.066 -3.414 354 1HD2 ASN 47 1HD2 ASN 47 -3.518 5.421 -5.099 355 2HD2 ASN 47 2HD2 ASN 47 -3.746 7.050 -4.500 356 H VAL 48 H VAL 48 -2.764 2.535 -4.549 357 HA VAL 48 HA VAL 48 -0.720 4.480 -3.862 358 HB VAL 48 HB VAL 48 -0.187 2.776 -2.228 359 1HG1 VAL 48 1HG1 VAL 48 0.083 0.796 -4.518 360 2HG1 VAL 48 2HG1 VAL 48 0.489 0.507 -2.820 361 3HG1 VAL 48 3HG1 VAL 48 -1.194 0.786 -3.265 362 1HG2 VAL 48 1HG2 VAL 48 2.132 2.252 -2.857 363 2HG2 VAL 48 2HG2 VAL 48 1.790 2.685 -4.543 364 3HG2 VAL 48 3HG2 VAL 48 1.719 3.916 -3.263 365 H ILE 49 H ILE 49 0.477 5.053 -5.547 366 HA ILE 49 HA ILE 49 -0.251 3.874 -8.169 367 HB ILE 49 HB ILE 49 0.827 6.620 -7.479 368 1HG1 ILE 49 2HG1 ILE 49 -1.800 6.592 -8.766 369 2HG1 ILE 49 3HG1 ILE 49 -1.871 5.647 -7.283 370 1HG2 ILE 49 1HG2 ILE 49 0.335 7.172 -9.835 371 2HG2 ILE 49 2HG2 ILE 49 1.518 5.863 -9.739 372 3HG2 ILE 49 3HG2 ILE 49 -0.168 5.496 -10.136 373 1HD1 ILE 49 1HD1 ILE 49 -0.952 7.520 -5.999 374 2HD1 ILE 49 2HD1 ILE 49 -0.795 8.484 -7.496 375 3HD1 ILE 49 3HD1 ILE 49 -2.401 8.022 -6.891 376 H TYR 50 H TYR 50 1.311 2.844 -9.293 377 HA TYR 50 HA TYR 50 4.135 3.376 -8.737 378 1HB TYR 50 2HB TYR 50 4.570 0.912 -8.368 379 2HB TYR 50 3HB TYR 50 3.841 1.722 -7.018 380 HD1 TYR 50 HD1 TYR 50 2.875 -0.260 -10.140 381 HD2 TYR 50 HD2 TYR 50 2.000 0.599 -6.003 382 HE1 TYR 50 HE1 TYR 50 1.094 -1.921 -10.188 383 HE2 TYR 50 HE2 TYR 50 0.416 -1.306 -5.984 384 HH TYR 50 HH TYR 50 -0.472 -3.083 -8.930 385 H ASP 51 H ASP 51 5.534 1.969 -10.104 386 HA ASP 51 HA ASP 51 4.330 1.763 -12.790 387 1HB ASP 51 2HB ASP 51 6.130 3.357 -12.291 388 2HB ASP 51 3HB ASP 51 7.220 2.036 -11.944 389 HA PRO 52 HA PRO 52 4.885 -2.744 -12.147 390 1HB PRO 52 2HB PRO 52 3.836 -3.662 -14.432 391 2HB PRO 52 3HB PRO 52 2.833 -2.860 -13.190 392 1HG PRO 52 2HG PRO 52 4.044 -1.594 -15.667 393 2HG PRO 52 3HG PRO 52 2.333 -1.535 -15.148 394 1HD PRO 52 2HD PRO 52 4.116 0.445 -14.581 395 2HD PRO 52 3HD PRO 52 2.833 -0.003 -13.409 396 H ALA 53 H ALA 53 6.960 -0.774 -13.751 397 HA ALA 53 HA ALA 53 8.315 -2.848 -15.381 398 1HB ALA 53 1HB ALA 53 8.423 -0.462 -16.034 399 2HB ALA 53 2HB ALA 53 9.239 -0.078 -14.502 400 3HB ALA 53 3HB ALA 53 10.032 -1.130 -15.688 401 H GLU 54 H GLU 54 8.640 -1.118 -12.350 402 HA GLU 54 HA GLU 54 10.783 -2.906 -11.282 403 1HB GLU 54 2HB GLU 54 9.602 -0.199 -10.512 404 2HB GLU 54 3HB GLU 54 10.749 -1.087 -9.529 405 1HG GLU 54 2HG GLU 54 11.601 -0.652 -12.367 406 2HG GLU 54 3HG GLU 54 11.450 0.796 -11.362 407 H THR 55 H THR 55 7.559 -1.575 -10.683 408 HA THR 55 HA THR 55 7.240 -3.092 -8.193 409 HB THR 55 HB THR 55 6.553 -0.279 -8.831 410 HG1 THR 55 1HG THR 55 8.632 -1.672 -7.558 411 1HG2 THR 55 1HG2 THR 55 5.013 -1.063 -7.256 412 2HG2 THR 55 2HG2 THR 55 6.240 -1.990 -6.328 413 3HG2 THR 55 3HG2 THR 55 6.256 -0.184 -6.352 414 H GLY 56 H GLY 56 5.545 -4.256 -7.817 415 1HA GLY 56 2HA GLY 56 3.037 -3.042 -8.235 416 2HA GLY 56 3HA GLY 56 3.126 -4.565 -9.153 417 H THR 57 H THR 57 1.390 -4.800 -7.541 418 HA THR 57 HA THR 57 1.365 -5.145 -4.872 419 HB THR 57 HB THR 57 -0.562 -5.219 -6.074 420 HG1 THR 57 1HG THR 57 -0.322 -7.829 -5.023 421 1HG2 THR 57 1HG2 THR 57 0.423 -7.666 -7.569 422 2HG2 THR 57 2HG2 THR 57 -1.271 -7.133 -7.515 423 3HG2 THR 57 3HG2 THR 57 -0.050 -6.077 -8.219 424 H ALA 58 H ALA 58 2.944 -7.399 -7.139 425 HA ALA 58 HA ALA 58 3.569 -9.534 -5.440 426 1HB ALA 58 1HB ALA 58 5.586 -9.791 -6.865 427 2HB ALA 58 2HB ALA 58 4.127 -9.496 -7.829 428 3HB ALA 58 3HB ALA 58 5.298 -8.186 -7.565 429 H ALA 59 H ALA 59 5.322 -6.379 -5.704 430 HA ALA 59 HA ALA 59 7.433 -7.316 -3.825 431 1HB ALA 59 1HB ALA 59 8.229 -5.939 -5.661 432 2HB ALA 59 2HB ALA 59 6.976 -4.715 -5.363 433 3HB ALA 59 3HB ALA 59 8.279 -4.957 -4.186 434 H ILE 60 H ILE 60 4.580 -5.364 -4.147 435 HA ILE 60 HA ILE 60 4.905 -3.889 -1.756 436 HB ILE 60 HB ILE 60 3.000 -4.170 -3.974 437 1HG1 ILE 60 2HG1 ILE 60 3.466 -1.784 -2.292 438 2HG1 ILE 60 3HG1 ILE 60 4.777 -2.380 -3.322 439 1HG2 ILE 60 1HG2 ILE 60 1.287 -4.685 -2.429 440 2HG2 ILE 60 2HG2 ILE 60 1.849 -3.477 -1.263 441 3HG2 ILE 60 3HG2 ILE 60 1.128 -2.972 -2.806 442 1HD1 ILE 60 1HD1 ILE 60 3.591 -0.649 -4.503 443 2HD1 ILE 60 2HD1 ILE 60 3.320 -2.205 -5.311 444 3HD1 ILE 60 3HD1 ILE 60 2.045 -1.492 -4.288 445 H GLN 61 H GLN 61 2.766 -6.784 -2.360 446 HA GLN 61 HA GLN 61 1.847 -7.050 0.282 447 1HB GLN 61 2HB GLN 61 2.359 -8.992 -1.951 448 2HB GLN 61 3HB GLN 61 2.237 -9.628 -0.306 449 1HG GLN 61 2HG GLN 61 0.096 -9.862 -0.936 450 2HG GLN 61 3HG GLN 61 0.025 -8.313 -0.101 451 1HE2 GLN 61 1HE2 GLN 61 0.384 -6.344 -1.670 452 2HE2 GLN 61 2HE2 GLN 61 -0.402 -6.516 -3.249 453 H GLU 62 H GLU 62 4.827 -8.398 -1.146 454 HA GLU 62 HA GLU 62 5.963 -9.605 1.042 455 1HB GLU 62 2HB GLU 62 6.773 -8.939 -1.518 456 2HB GLU 62 3HB GLU 62 7.803 -7.841 -0.617 457 1HG GLU 62 2HG GLU 62 7.632 -10.854 -0.093 458 2HG GLU 62 3HG GLU 62 8.722 -10.108 -1.276 459 H LYS 63 H LYS 63 6.375 -6.091 0.278 460 HA LYS 63 HA LYS 63 7.715 -5.779 2.823 461 1HB LYS 63 2HB LYS 63 7.288 -4.147 0.462 462 2HB LYS 63 3HB LYS 63 6.752 -3.271 1.880 463 1HG LYS 63 2HG LYS 63 9.082 -2.804 1.586 464 2HG LYS 63 3HG LYS 63 8.956 -3.821 3.010 465 1HD LYS 63 2HD LYS 63 9.259 -5.421 0.535 466 2HD LYS 63 3HD LYS 63 10.553 -4.228 0.690 467 1HE LYS 63 2HE LYS 63 11.154 -5.103 2.921 468 2HE LYS 63 3HE LYS 63 9.821 -6.268 2.852 469 1HZ LYS 63 1HZ LYS 63 10.797 -7.319 1.014 470 2HZ LYS 63 2HZ LYS 63 12.073 -6.281 0.967 471 3HZ LYS 63 3HZ LYS 63 11.846 -7.311 2.239 472 H ILE 64 H ILE 64 4.330 -5.326 1.779 473 HA ILE 64 HA ILE 64 3.416 -3.922 3.982 474 HB ILE 64 HB ILE 64 2.075 -5.990 2.215 475 1HG1 ILE 64 2HG1 ILE 64 2.697 -3.857 1.086 476 2HG1 ILE 64 3HG1 ILE 64 0.963 -4.134 1.187 477 1HG2 ILE 64 1HG2 ILE 64 0.653 -6.149 4.002 478 2HG2 ILE 64 2HG2 ILE 64 1.040 -4.522 4.620 479 3HG2 ILE 64 3HG2 ILE 64 -0.002 -4.696 3.217 480 1HD1 ILE 64 1HD1 ILE 64 2.699 -2.094 2.485 481 2HD1 ILE 64 2HD1 ILE 64 1.017 -1.966 1.883 482 3HD1 ILE 64 3HD1 ILE 64 1.347 -2.714 3.441 483 H GLU 65 H GLU 65 3.780 -7.515 3.518 484 HA GLU 65 HA GLU 65 2.858 -8.395 6.055 485 1HB GLU 65 2HB GLU 65 4.869 -9.343 4.027 486 2HB GLU 65 3HB GLU 65 4.732 -10.183 5.582 487 1HG GLU 65 2HG GLU 65 2.212 -9.651 3.998 488 2HG GLU 65 3HG GLU 65 3.292 -10.963 3.513 489 H LYS 66 H LYS 66 6.055 -7.027 5.087 490 HA LYS 66 HA LYS 66 7.182 -7.626 7.621 491 1HB LYS 66 2HB LYS 66 8.097 -6.804 5.043 492 2HB LYS 66 3HB LYS 66 8.700 -5.629 6.206 493 1HG LYS 66 2HG LYS 66 9.067 -8.670 6.317 494 2HG LYS 66 3HG LYS 66 10.272 -7.472 5.862 495 1HD LYS 66 2HD LYS 66 10.953 -7.636 7.976 496 2HD LYS 66 3HD LYS 66 9.672 -6.450 8.274 497 1HE LYS 66 2HE LYS 66 8.274 -8.045 9.339 498 2HE LYS 66 3HE LYS 66 9.021 -9.412 8.488 499 1HZ LYS 66 1HZ LYS 66 10.935 -9.116 9.897 500 2HZ LYS 66 2HZ LYS 66 10.224 -7.832 10.656 501 3HZ LYS 66 3HZ LYS 66 9.572 -9.334 10.788 502 H LEU 67 H LEU 67 5.689 -4.743 6.151 503 HA LEU 67 HA LEU 67 6.182 -2.866 8.207 504 1HB LEU 67 2HB LEU 67 3.995 -3.354 6.165 505 2HB LEU 67 3HB LEU 67 3.692 -2.206 7.425 506 HG LEU 67 HG LEU 67 4.391 -1.148 5.445 507 1HD1 LEU 67 1HD1 LEU 67 6.018 0.364 6.341 508 2HD1 LEU 67 2HD1 LEU 67 5.071 -0.239 7.714 509 3HD1 LEU 67 3HD1 LEU 67 6.702 -0.886 7.394 510 1HD2 LEU 67 1HD2 LEU 67 6.971 -2.713 5.520 511 2HD2 LEU 67 2HD2 LEU 67 5.713 -2.638 4.251 512 3HD2 LEU 67 3HD2 LEU 67 6.719 -1.234 4.574 513 H GLY 68 H GLY 68 4.333 -5.843 8.246 514 1HA GLY 68 2HA GLY 68 3.837 -6.925 10.239 515 2HA GLY 68 3HA GLY 68 3.749 -5.391 11.114 516 H TYR 69 H TYR 69 2.196 -5.871 7.931 517 HA TYR 69 HA TYR 69 -0.468 -6.212 9.221 518 1HB TYR 69 2HB TYR 69 0.228 -4.055 7.190 519 2HB TYR 69 3HB TYR 69 -1.384 -4.429 7.793 520 HD1 TYR 69 HD1 TYR 69 -2.191 -3.402 9.811 521 HD2 TYR 69 HD2 TYR 69 1.972 -3.173 8.774 522 HE1 TYR 69 HE1 TYR 69 -1.850 -1.648 11.536 523 HE2 TYR 69 HE2 TYR 69 2.345 -1.511 10.524 524 HH TYR 69 HH TYR 69 1.328 -0.101 12.065 525 H HIS 70 H HIS 70 -2.090 -6.784 7.545 526 HA HIS 70 HA HIS 70 -0.879 -8.211 5.243 527 1HB HIS 70 2HB HIS 70 -3.112 -9.651 5.740 528 2HB HIS 70 3HB HIS 70 -1.460 -10.094 6.158 529 HD1 HIS 70 1HD HIS 70 -1.958 -11.531 8.249 530 HD2 HIS 70 2HD HIS 70 -3.688 -7.720 8.241 531 HE1 HIS 70 1HE HIS 70 -3.083 -11.240 10.532 532 H VAL 71 H VAL 71 -1.596 -7.467 3.494 533 HA VAL 71 HA VAL 71 -4.110 -5.894 3.351 534 HB VAL 71 HB VAL 71 -1.981 -4.832 2.593 535 1HG1 VAL 71 1HG1 VAL 71 -2.266 -6.676 0.177 536 2HG1 VAL 71 2HG1 VAL 71 -1.066 -5.393 0.400 537 3HG1 VAL 71 3HG1 VAL 71 -1.000 -6.840 1.425 538 1HG2 VAL 71 1HG2 VAL 71 -4.090 -3.938 1.925 539 2HG2 VAL 71 2HG2 VAL 71 -2.912 -3.778 0.625 540 3HG2 VAL 71 3HG2 VAL 71 -4.162 -5.040 0.534 541 H VAL 72 H VAL 72 -5.633 -6.301 1.652 542 HA VAL 72 HA VAL 72 -5.516 -9.108 0.559 543 HB VAL 72 HB VAL 72 -8.111 -8.860 0.722 544 1HG1 VAL 72 1HG1 VAL 72 -6.824 -10.577 1.887 545 2HG1 VAL 72 2HG1 VAL 72 -6.465 -9.429 3.205 546 3HG1 VAL 72 3HG1 VAL 72 -8.144 -9.940 2.889 547 1HG2 VAL 72 1HG2 VAL 72 -7.327 -7.101 3.101 548 2HG2 VAL 72 2HG2 VAL 72 -8.047 -6.521 1.570 549 3HG2 VAL 72 3HG2 VAL 72 -8.955 -7.620 2.620 550 H ILE 73 H ILE 73 -6.128 -9.344 -1.555 551 HA ILE 73 HA ILE 73 -6.547 -6.817 -3.108 552 HB ILE 73 HB ILE 73 -5.528 -9.541 -4.038 553 1HG1 ILE 73 2HG1 ILE 73 -3.801 -8.703 -2.628 554 2HG1 ILE 73 3HG1 ILE 73 -3.320 -8.471 -4.305 555 1HG2 ILE 73 1HG2 ILE 73 -4.857 -8.268 -6.077 556 2HG2 ILE 73 2HG2 ILE 73 -6.604 -8.325 -5.840 557 3HG2 ILE 73 3HG2 ILE 73 -5.715 -6.845 -5.449 558 1HD1 ILE 73 1HD1 ILE 73 -4.076 -6.038 -4.093 559 2HD1 ILE 73 2HD1 ILE 73 -4.306 -6.366 -2.359 560 3HD1 ILE 73 3HD1 ILE 73 -2.703 -6.502 -3.080 561 H GLU 74 H GLU 74 -8.775 -6.663 -2.853 562 HA GLU 74 HA GLU 74 -10.317 -8.341 -4.659 563 1HB GLU 74 2HB GLU 74 -12.102 -8.763 -2.960 564 2HB GLU 74 3HB GLU 74 -10.593 -9.589 -2.566 565 1HG GLU 74 2HG GLU 74 -10.038 -7.693 -0.972 566 2HG GLU 74 3HG GLU 74 -11.662 -7.035 -1.311 567 H GLY 75 H GLY 75 -12.139 -7.057 -5.454 568 1HA GLY 75 2HA GLY 75 -13.379 -4.898 -4.412 569 2HA GLY 75 3HA GLY 75 -11.864 -4.159 -4.961 570 H ARG 76 H ARG 76 -11.275 -5.461 -7.215 571 HA ARG 76 HA ARG 76 -13.569 -5.153 -9.088 572 1HB ARG 76 2HB ARG 76 -11.945 -4.994 -10.869 573 2HB ARG 76 3HB ARG 76 -11.738 -3.645 -9.742 574 1HG ARG 76 2HG ARG 76 -9.759 -4.653 -8.770 575 2HG ARG 76 3HG ARG 76 -10.045 -6.184 -9.623 576 1HD ARG 76 2HD ARG 76 -9.753 -5.065 -11.787 577 2HD ARG 76 3HD ARG 76 -9.383 -3.532 -10.947 578 HE ARG 76 HE ARG 76 -7.681 -5.520 -9.896 579 1HH1 ARG 76 2HH2 ARG 76 -8.230 -3.944 -12.983 580 2HH1 ARG 76 1HH2 ARG 76 -6.615 -4.156 -13.592 581 1HH2 ARG 76 2HH1 ARG 76 -5.502 -5.810 -10.629 582 2HH2 ARG 76 1HH1 ARG 76 -5.012 -5.234 -12.189 Start of MODEL 25 1 1H MET 1 H1 MET 1 6.813 -0.659 -28.141 2 2H MET 1 H2 MET 1 8.402 -1.160 -28.115 3 3H MET 1 H3 MET 1 7.236 -1.968 -27.252 4 HA MET 1 HA MET 1 8.377 -0.645 -25.692 5 1HB MET 1 2HB MET 1 8.214 1.325 -27.946 6 2HB MET 1 3HB MET 1 7.857 1.986 -26.353 7 1HG MET 1 2HG MET 1 10.005 1.164 -25.478 8 2HG MET 1 3HG MET 1 10.387 0.473 -27.062 9 1HE MET 1 1HE MET 1 10.224 5.014 -26.161 10 2HE MET 1 2HE MET 1 8.732 4.062 -26.238 11 3HE MET 1 3HE MET 1 9.924 3.751 -24.948 12 H LEU 2 H LEU 2 7.050 -0.179 -23.925 13 HA LEU 2 HA LEU 2 4.936 1.605 -24.031 14 1HB LEU 2 2HB LEU 2 3.055 0.206 -23.368 15 2HB LEU 2 3HB LEU 2 3.544 -0.162 -25.004 16 HG LEU 2 HG LEU 2 4.988 -1.956 -23.225 17 1HD1 LEU 2 1HD1 LEU 2 3.199 -1.464 -21.582 18 2HD1 LEU 2 2HD1 LEU 2 1.972 -1.910 -22.789 19 3HD1 LEU 2 3HD1 LEU 2 3.107 -3.131 -22.177 20 1HD2 LEU 2 1HD2 LEU 2 3.816 -3.680 -24.510 21 2HD2 LEU 2 2HD2 LEU 2 2.706 -2.463 -25.172 22 3HD2 LEU 2 3HD2 LEU 2 4.435 -2.409 -25.582 23 H SER 3 H SER 3 4.317 2.090 -21.824 24 HA SER 3 HA SER 3 5.161 0.692 -19.497 25 1HB SER 3 2HB SER 3 7.007 2.348 -18.886 26 2HB SER 3 3HB SER 3 7.471 1.168 -20.115 27 HG SER 3 HG SER 3 6.425 3.740 -20.710 28 H GLU 4 H GLU 4 3.558 1.519 -18.133 29 HA GLU 4 HA GLU 4 3.278 4.355 -17.827 30 1HB GLU 4 2HB GLU 4 0.828 4.386 -18.162 31 2HB GLU 4 3HB GLU 4 1.716 4.060 -19.647 32 1HG GLU 4 2HG GLU 4 0.117 2.481 -19.909 33 2HG GLU 4 3HG GLU 4 1.205 1.483 -18.943 34 H GLN 5 H GLN 5 2.043 4.757 -15.895 35 HA GLN 5 HA GLN 5 2.468 2.586 -13.905 36 1HB GLN 5 2HB GLN 5 2.550 4.364 -12.277 37 2HB GLN 5 3HB GLN 5 3.769 4.618 -13.544 38 1HG GLN 5 2HG GLN 5 2.175 6.312 -14.596 39 2HG GLN 5 3HG GLN 5 1.101 6.083 -13.209 40 1HE2 GLN 5 1HE2 GLN 5 3.762 5.728 -11.534 41 2HE2 GLN 5 2HE2 GLN 5 4.176 7.360 -11.188 42 H LYS 6 H LYS 6 0.861 2.517 -12.077 43 HA LYS 6 HA LYS 6 -1.728 3.679 -12.765 44 1HB LYS 6 2HB LYS 6 -1.168 0.835 -13.249 45 2HB LYS 6 3HB LYS 6 -2.406 1.025 -12.003 46 1HG LYS 6 2HG LYS 6 -3.527 2.722 -13.570 47 2HG LYS 6 3HG LYS 6 -2.420 2.144 -14.832 48 1HD LYS 6 2HD LYS 6 -3.303 -0.159 -14.511 49 2HD LYS 6 3HD LYS 6 -4.378 0.433 -13.214 50 1HE LYS 6 2HE LYS 6 -5.490 1.972 -14.838 51 2HE LYS 6 3HE LYS 6 -4.428 1.375 -16.126 52 1HZ LYS 6 1HZ LYS 6 -5.415 -0.799 -15.825 53 2HZ LYS 6 2HZ LYS 6 -6.427 -0.215 -14.655 54 3HZ LYS 6 3HZ LYS 6 -6.553 0.326 -16.198 55 H GLU 7 H GLU 7 -3.237 3.646 -11.262 56 HA GLU 7 HA GLU 7 -2.418 3.710 -8.432 57 1HB GLU 7 2HB GLU 7 -4.829 4.691 -8.355 58 2HB GLU 7 3HB GLU 7 -3.530 5.706 -8.990 59 1HG GLU 7 2HG GLU 7 -4.218 5.345 -11.280 60 2HG GLU 7 3HG GLU 7 -5.452 4.167 -10.771 61 H ILE 8 H ILE 8 -2.558 1.619 -7.544 62 HA ILE 8 HA ILE 8 -5.024 0.103 -8.192 63 HB ILE 8 HB ILE 8 -2.570 -0.826 -8.033 64 1HG1 ILE 8 2HG1 ILE 8 -4.537 -2.602 -6.607 65 2HG1 ILE 8 3HG1 ILE 8 -4.984 -2.020 -8.219 66 1HG2 ILE 8 1HG2 ILE 8 -1.959 -1.776 -5.889 67 2HG2 ILE 8 2HG2 ILE 8 -2.110 -0.015 -5.763 68 3HG2 ILE 8 3HG2 ILE 8 -3.382 -1.071 -5.111 69 1HD1 ILE 8 1HD1 ILE 8 -2.422 -3.452 -7.541 70 2HD1 ILE 8 2HD1 ILE 8 -3.781 -4.078 -8.507 71 3HD1 ILE 8 3HD1 ILE 8 -2.805 -2.714 -9.115 72 H ALA 9 H ALA 9 -6.387 -0.530 -6.396 73 HA ALA 9 HA ALA 9 -6.098 0.959 -3.896 74 1HB ALA 9 1HB ALA 9 -8.837 1.043 -4.306 75 2HB ALA 9 2HB ALA 9 -7.730 2.414 -4.485 76 3HB ALA 9 3HB ALA 9 -8.211 1.472 -5.910 77 H MET 10 H MET 10 -6.505 -0.374 -2.220 78 HA MET 10 HA MET 10 -8.017 -2.888 -2.591 79 1HB MET 10 2HB MET 10 -6.075 -4.263 -1.996 80 2HB MET 10 3HB MET 10 -5.767 -3.378 -3.502 81 1HG MET 10 2HG MET 10 -4.698 -1.565 -1.872 82 2HG MET 10 3HG MET 10 -4.643 -2.933 -0.761 83 1HE MET 10 1HE MET 10 -2.382 -0.870 -2.021 84 2HE MET 10 2HE MET 10 -1.998 -2.012 -0.722 85 3HE MET 10 3HE MET 10 -1.001 -1.965 -2.191 86 H GLN 11 H GLN 11 -7.843 -4.196 -0.421 87 HA GLN 11 HA GLN 11 -8.532 -2.185 1.646 88 1HB GLN 11 2HB GLN 11 -9.289 -5.114 1.606 89 2HB GLN 11 3HB GLN 11 -9.824 -3.852 2.700 90 1HG GLN 11 2HG GLN 11 -11.582 -4.232 1.143 91 2HG GLN 11 3HG GLN 11 -10.884 -2.651 0.785 92 1HE2 GLN 11 1HE2 GLN 11 -9.261 -5.712 -0.229 93 2HE2 GLN 11 2HE2 GLN 11 -9.587 -5.484 -1.914 94 H VAL 12 H VAL 12 -7.840 -2.544 3.855 95 HA VAL 12 HA VAL 12 -5.367 -4.228 4.056 96 HB VAL 12 HB VAL 12 -5.705 -1.766 5.756 97 1HG1 VAL 12 1HG1 VAL 12 -3.351 -3.385 4.678 98 2HG1 VAL 12 2HG1 VAL 12 -3.187 -1.827 5.485 99 3HG1 VAL 12 3HG1 VAL 12 -3.854 -3.193 6.378 100 1HG2 VAL 12 1HG2 VAL 12 -4.541 -1.807 2.953 101 2HG2 VAL 12 2HG2 VAL 12 -5.962 -0.858 3.480 102 3HG2 VAL 12 3HG2 VAL 12 -4.366 -0.473 4.119 103 H SER 13 H SER 13 -4.855 -5.049 6.133 104 HA SER 13 HA SER 13 -7.058 -5.225 8.113 105 1HB SER 13 2HB SER 13 -6.671 -7.276 6.591 106 2HB SER 13 3HB SER 13 -5.123 -7.460 7.384 107 HG SER 13 HG SER 13 -6.173 -7.873 9.303 108 H GLY 14 H GLY 14 -6.322 -4.834 10.195 109 1HA GLY 14 2HA GLY 14 -4.706 -5.123 11.921 110 2HA GLY 14 3HA GLY 14 -3.389 -4.839 10.792 111 H MET 15 H MET 15 -4.888 -2.495 9.594 112 HA MET 15 HA MET 15 -3.863 -0.308 10.856 113 1HB MET 15 2HB MET 15 -5.585 0.990 9.720 114 2HB MET 15 3HB MET 15 -4.869 -0.222 8.640 115 1HG MET 15 2HG MET 15 -7.559 -0.507 10.064 116 2HG MET 15 3HG MET 15 -7.351 0.127 8.445 117 1HE MET 15 1HE MET 15 -9.243 -2.333 9.564 118 2HE MET 15 2HE MET 15 -9.367 -1.528 7.982 119 3HE MET 15 3HE MET 15 -9.222 -3.300 8.072 120 H THR 16 H THR 16 -4.478 1.204 12.421 121 HA THR 16 HA THR 16 -7.056 0.784 13.855 122 HB THR 16 HB THR 16 -6.029 1.089 15.989 123 HG1 THR 16 1HG THR 16 -3.494 1.145 14.702 124 1HG2 THR 16 1HG2 THR 16 -4.778 -0.959 16.252 125 2HG2 THR 16 2HG2 THR 16 -6.044 -1.252 15.042 126 3HG2 THR 16 3HG2 THR 16 -4.358 -1.010 14.535 127 H CYS 17 H CYS 17 -6.055 2.700 11.749 128 HA CYS 17 HA CYS 17 -6.165 4.884 11.249 129 1HB CYS 17 2HB CYS 17 -8.470 4.502 12.362 130 2HB CYS 17 3HB CYS 17 -7.823 5.450 13.718 131 HG CYS 17 HG CYS 17 -9.302 6.960 12.187 132 H ALA 18 H ALA 18 -6.238 7.165 13.339 133 HA ALA 18 HA ALA 18 -4.573 8.610 13.891 134 1HB ALA 18 1HB ALA 18 -5.243 7.444 15.943 135 2HB ALA 18 2HB ALA 18 -3.951 6.247 15.699 136 3HB ALA 18 3HB ALA 18 -3.544 7.951 16.010 137 H ALA 19 H ALA 19 -3.709 7.781 11.556 138 HA ALA 19 HA ALA 19 -1.915 7.752 10.200 139 1HB ALA 19 1HB ALA 19 0.175 8.688 10.940 140 2HB ALA 19 2HB ALA 19 -1.140 9.573 11.732 141 3HB ALA 19 3HB ALA 19 -0.200 8.367 12.637 142 H CYS 20 H CYS 20 -2.612 5.200 11.889 143 HA CYS 20 HA CYS 20 -0.080 3.734 12.006 144 1HB CYS 20 2HB CYS 20 -2.989 2.858 12.274 145 2HB CYS 20 3HB CYS 20 -1.636 1.724 12.231 146 HG CYS 20 HG CYS 20 -0.298 2.621 14.181 147 H ALA 21 H ALA 21 -3.055 3.457 10.043 148 HA ALA 21 HA ALA 21 -2.074 1.628 8.201 149 1HB ALA 21 1HB ALA 21 -4.415 2.371 8.543 150 2HB ALA 21 2HB ALA 21 -4.073 3.816 7.570 151 3HB ALA 21 3HB ALA 21 -3.948 2.182 6.847 152 H ALA 22 H ALA 22 -1.875 5.157 8.184 153 HA ALA 22 HA ALA 22 -0.711 5.622 5.675 154 1HB ALA 22 1HB ALA 22 -0.184 6.908 8.403 155 2HB ALA 22 2HB ALA 22 0.268 7.628 6.829 156 3HB ALA 22 3HB ALA 22 -1.445 7.382 7.255 157 H ARG 23 H ARG 23 0.865 4.284 8.632 158 HA ARG 23 HA ARG 23 3.567 4.558 7.708 159 1HB ARG 23 2HB ARG 23 2.325 2.510 9.589 160 2HB ARG 23 3HB ARG 23 4.037 2.671 9.295 161 1HG ARG 23 2HG ARG 23 2.479 5.118 10.141 162 2HG ARG 23 3HG ARG 23 2.944 3.917 11.353 163 1HD ARG 23 2HD ARG 23 5.230 4.206 11.014 164 2HD ARG 23 3HD ARG 23 5.026 4.928 9.402 165 HE ARG 23 HE ARG 23 3.755 6.635 11.244 166 1HH1 ARG 23 2HH2 ARG 23 6.999 5.470 10.553 167 2HH1 ARG 23 1HH2 ARG 23 7.816 6.954 10.930 168 1HH2 ARG 23 2HH1 ARG 23 4.785 8.667 11.729 169 2HH2 ARG 23 1HH1 ARG 23 6.508 8.826 11.618 170 H ILE 24 H ILE 24 1.005 2.198 7.152 171 HA ILE 24 HA ILE 24 2.542 0.013 6.186 172 HB ILE 24 HB ILE 24 -0.299 0.830 5.370 173 1HG1 ILE 24 2HG1 ILE 24 0.640 -0.920 7.653 174 2HG1 ILE 24 3HG1 ILE 24 -0.031 0.682 7.892 175 1HG2 ILE 24 1HG2 ILE 24 1.056 -1.851 5.343 176 2HG2 ILE 24 2HG2 ILE 24 -0.636 -1.515 4.900 177 3HG2 ILE 24 3HG2 ILE 24 0.647 -0.805 3.942 178 1HD1 ILE 24 1HD1 ILE 24 -1.485 -1.783 6.961 179 2HD1 ILE 24 2HD1 ILE 24 -1.860 -0.707 8.310 180 3HD1 ILE 24 3HD1 ILE 24 -2.129 -0.148 6.653 181 H GLU 25 H GLU 25 0.678 2.527 4.459 182 HA GLU 25 HA GLU 25 1.888 1.782 1.985 183 1HB GLU 25 2HB GLU 25 -0.403 3.244 2.765 184 2HB GLU 25 3HB GLU 25 0.613 4.406 1.937 185 1HG GLU 25 2HG GLU 25 -0.726 3.312 0.223 186 2HG GLU 25 3HG GLU 25 0.910 2.694 0.046 187 H LYS 26 H LYS 26 2.663 4.342 4.357 188 HA LYS 26 HA LYS 26 4.490 5.796 2.782 189 1HB LYS 26 2HB LYS 26 4.198 5.177 5.707 190 2HB LYS 26 3HB LYS 26 5.655 5.945 5.165 191 1HG LYS 26 2HG LYS 26 2.930 7.082 4.412 192 2HG LYS 26 3HG LYS 26 3.715 7.446 5.956 193 1HD LYS 26 2HD LYS 26 5.795 8.189 4.647 194 2HD LYS 26 3HD LYS 26 4.868 7.964 3.168 195 1HE LYS 26 2HE LYS 26 4.830 10.289 3.656 196 2HE LYS 26 3HE LYS 26 3.203 9.666 3.967 197 1HZ LYS 26 1HZ LYS 26 3.973 11.162 5.682 198 2HZ LYS 26 2HZ LYS 26 3.740 9.666 6.316 199 3HZ LYS 26 3HZ LYS 26 5.267 10.208 6.013 200 H GLY 27 H GLY 27 4.849 2.686 4.541 201 1HA GLY 27 2HA GLY 27 7.561 2.131 3.994 202 2HA GLY 27 3HA GLY 27 6.252 0.940 4.052 203 H LEU 28 H LEU 28 4.618 1.524 1.887 204 HA LEU 28 HA LEU 28 6.194 0.507 -0.270 205 1HB LEU 28 2HB LEU 28 3.480 1.811 -0.351 206 2HB LEU 28 3HB LEU 28 4.200 0.805 -1.610 207 HG LEU 28 HG LEU 28 3.447 -0.191 1.166 208 1HD1 LEU 28 1HD1 LEU 28 1.699 0.490 -0.473 209 2HD1 LEU 28 2HD1 LEU 28 2.244 -0.784 -1.547 210 3HD1 LEU 28 3HD1 LEU 28 1.602 -1.188 0.050 211 1HD2 LEU 28 1HD2 LEU 28 3.902 -2.455 -0.165 212 2HD2 LEU 28 2HD2 LEU 28 5.104 -1.464 -1.009 213 3HD2 LEU 28 3HD2 LEU 28 5.172 -1.624 0.740 214 H LYS 29 H LYS 29 5.178 3.822 0.577 215 HA LYS 29 HA LYS 29 6.132 5.046 -1.813 216 1HB LYS 29 2HB LYS 29 4.639 6.224 -0.549 217 2HB LYS 29 3HB LYS 29 5.581 6.158 0.902 218 1HG LYS 29 2HG LYS 29 6.466 8.148 0.458 219 2HG LYS 29 3HG LYS 29 7.240 7.528 -0.982 220 1HD LYS 29 2HD LYS 29 6.043 9.325 -1.743 221 2HD LYS 29 3HD LYS 29 5.106 7.926 -2.273 222 1HE LYS 29 2HE LYS 29 3.448 8.285 -0.520 223 2HE LYS 29 3HE LYS 29 4.507 9.420 0.332 224 1HZ LYS 29 1HZ LYS 29 4.254 10.913 -1.646 225 2HZ LYS 29 2HZ LYS 29 3.058 9.910 -2.181 226 3HZ LYS 29 3HZ LYS 29 2.855 10.639 -0.807 227 H ARG 30 H ARG 30 7.962 3.456 0.713 228 HA ARG 30 HA ARG 30 10.479 4.681 -0.296 229 1HB ARG 30 2HB ARG 30 9.779 2.975 2.087 230 2HB ARG 30 3HB ARG 30 11.336 2.733 1.339 231 1HG ARG 30 2HG ARG 30 12.035 4.364 2.690 232 2HG ARG 30 3HG ARG 30 11.399 5.448 1.467 233 1HD ARG 30 2HD ARG 30 9.147 5.307 2.846 234 2HD ARG 30 3HD ARG 30 10.130 4.524 4.072 235 HE ARG 30 HE ARG 30 11.163 6.502 4.614 236 1HH1 ARG 30 2HH2 ARG 30 9.491 6.878 1.547 237 2HH1 ARG 30 1HH2 ARG 30 9.700 8.599 1.430 238 1HH2 ARG 30 2HH1 ARG 30 11.530 8.793 4.493 239 2HH2 ARG 30 1HH1 ARG 30 10.901 9.712 3.168 240 H MET 31 H MET 31 8.449 2.053 -1.316 241 HA MET 31 HA MET 31 10.714 0.420 -2.113 242 1HB MET 31 2HB MET 31 7.755 0.222 -2.768 243 2HB MET 31 3HB MET 31 8.981 -0.799 -3.500 244 1HG MET 31 2HG MET 31 9.644 -1.059 -0.828 245 2HG MET 31 3HG MET 31 7.901 -0.863 -0.754 246 1HE MET 31 1HE MET 31 10.161 -4.357 -2.763 247 2HE MET 31 2HE MET 31 10.175 -2.755 -3.524 248 3HE MET 31 3HE MET 31 10.917 -2.988 -1.920 249 HA PRO 32 HA PRO 32 11.695 2.743 -5.792 250 1HB PRO 32 2HB PRO 32 13.000 0.806 -7.256 251 2HB PRO 32 3HB PRO 32 13.716 1.595 -5.825 252 1HG PRO 32 2HG PRO 32 12.277 -1.070 -5.953 253 2HG PRO 32 3HG PRO 32 13.852 -0.717 -5.190 254 1HD PRO 32 2HD PRO 32 11.582 -0.811 -3.746 255 2HD PRO 32 3HD PRO 32 12.801 0.451 -3.392 256 H GLY 33 H GLY 33 9.815 3.227 -7.029 257 1HA GLY 33 2HA GLY 33 9.140 2.603 -9.374 258 2HA GLY 33 3HA GLY 33 8.600 1.073 -8.695 259 H VAL 34 H VAL 34 8.009 2.799 -6.116 260 HA VAL 34 HA VAL 34 5.258 3.413 -6.689 261 HB VAL 34 HB VAL 34 6.377 2.686 -4.507 262 1HG1 VAL 34 1HG1 VAL 34 7.582 4.199 -3.226 263 2HG1 VAL 34 2HG1 VAL 34 8.150 4.612 -4.816 264 3HG1 VAL 34 3HG1 VAL 34 6.922 5.633 -4.050 265 1HG2 VAL 34 1HG2 VAL 34 4.030 3.417 -4.687 266 2HG2 VAL 34 2HG2 VAL 34 4.750 3.837 -3.132 267 3HG2 VAL 34 3HG2 VAL 34 4.517 5.096 -4.365 268 H THR 35 H THR 35 4.296 5.482 -6.766 269 HA THR 35 HA THR 35 6.110 7.835 -7.055 270 HB THR 35 HB THR 35 3.473 8.341 -8.165 271 HG1 THR 35 1HG THR 35 4.903 6.098 -9.132 272 1HG2 THR 35 1HG2 THR 35 5.581 9.591 -8.657 273 2HG2 THR 35 2HG2 THR 35 6.231 8.155 -9.482 274 3HG2 THR 35 3HG2 THR 35 4.797 8.995 -10.123 275 H ASP 36 H ASP 36 2.803 6.767 -5.990 276 HA ASP 36 HA ASP 36 3.146 8.487 -3.655 277 1HB ASP 36 2HB ASP 36 2.158 9.986 -5.432 278 2HB ASP 36 3HB ASP 36 0.779 8.876 -5.545 279 H ALA 37 H ALA 37 1.427 8.193 -2.066 280 HA ALA 37 HA ALA 37 0.012 5.592 -2.158 281 1HB ALA 37 1HB ALA 37 2.308 5.065 -1.370 282 2HB ALA 37 2HB ALA 37 2.155 6.308 -0.104 283 3HB ALA 37 3HB ALA 37 1.102 4.892 -0.092 284 H ASN 38 H ASN 38 -1.980 5.848 -1.127 285 HA ASN 38 HA ASN 38 -2.391 8.204 0.663 286 1HB ASN 38 2HB ASN 38 -3.845 7.642 -1.961 287 2HB ASN 38 3HB ASN 38 -4.390 8.783 -0.725 288 1HD2 ASN 38 1HD2 ASN 38 -2.552 8.504 -3.562 289 2HD2 ASN 38 2HD2 ASN 38 -1.568 9.959 -3.377 290 H VAL 39 H VAL 39 -3.348 7.354 2.423 291 HA VAL 39 HA VAL 39 -4.910 4.883 2.167 292 HB VAL 39 HB VAL 39 -3.024 5.158 3.734 293 1HG1 VAL 39 1HG1 VAL 39 -4.943 6.895 5.351 294 2HG1 VAL 39 2HG1 VAL 39 -3.369 6.283 5.882 295 3HG1 VAL 39 3HG1 VAL 39 -3.457 7.456 4.558 296 1HG2 VAL 39 1HG2 VAL 39 -5.088 3.529 3.944 297 2HG2 VAL 39 2HG2 VAL 39 -3.866 3.681 5.206 298 3HG2 VAL 39 3HG2 VAL 39 -5.436 4.502 5.377 299 H ASN 40 H ASN 40 -6.988 4.506 2.663 300 HA ASN 40 HA ASN 40 -8.739 6.818 3.207 301 1HB ASN 40 2HB ASN 40 -8.658 6.104 0.739 302 2HB ASN 40 3HB ASN 40 -9.376 4.578 1.229 303 1HD2 ASN 40 1HD2 ASN 40 -11.231 5.247 -0.188 304 2HD2 ASN 40 2HD2 ASN 40 -12.431 6.316 0.511 305 H LEU 41 H LEU 41 -8.351 5.802 5.405 306 HA LEU 41 HA LEU 41 -9.537 3.271 6.021 307 1HB LEU 41 2HB LEU 41 -9.052 5.685 7.811 308 2HB LEU 41 3HB LEU 41 -9.503 4.065 8.367 309 HG LEU 41 HG LEU 41 -6.959 4.843 6.900 310 1HD1 LEU 41 1HD1 LEU 41 -7.076 5.431 9.270 311 2HD1 LEU 41 2HD1 LEU 41 -7.495 3.742 9.684 312 3HD1 LEU 41 3HD1 LEU 41 -5.897 4.128 9.020 313 1HD2 LEU 41 1HD2 LEU 41 -8.080 2.127 7.695 314 2HD2 LEU 41 2HD2 LEU 41 -7.405 2.601 6.114 315 3HD2 LEU 41 3HD2 LEU 41 -6.343 2.384 7.505 316 H ALA 42 H ALA 42 -11.053 6.223 5.231 317 HA ALA 42 HA ALA 42 -13.553 5.976 6.584 318 1HB ALA 42 1HB ALA 42 -12.834 7.941 5.178 319 2HB ALA 42 2HB ALA 42 -13.020 6.915 3.736 320 3HB ALA 42 3HB ALA 42 -14.429 7.298 4.732 321 H THR 43 H THR 43 -11.992 4.040 4.129 322 HA THR 43 HA THR 43 -14.399 2.311 3.876 323 HB THR 43 HB THR 43 -12.485 3.268 1.683 324 HG1 THR 43 1HG THR 43 -14.924 4.227 2.652 325 1HG2 THR 43 1HG2 THR 43 -14.374 2.541 0.179 326 2HG2 THR 43 2HG2 THR 43 -13.456 1.229 0.920 327 3HG2 THR 43 3HG2 THR 43 -15.059 1.662 1.575 328 H GLU 44 H GLU 44 -11.789 2.268 5.528 329 HA GLU 44 HA GLU 44 -9.941 0.944 5.928 330 1HB GLU 44 2HB GLU 44 -11.977 -1.147 5.074 331 2HB GLU 44 3HB GLU 44 -10.544 -1.451 6.043 332 1HG GLU 44 2HG GLU 44 -11.739 -0.967 7.900 333 2HG GLU 44 3HG GLU 44 -11.904 0.705 7.363 334 H THR 45 H THR 45 -9.735 2.074 3.318 335 HA THR 45 HA THR 45 -8.562 -0.109 1.674 336 HB THR 45 HB THR 45 -10.417 2.151 0.841 337 HG1 THR 45 1HG THR 45 -11.348 0.169 1.620 338 1HG2 THR 45 1HG2 THR 45 -9.033 0.147 -0.989 339 2HG2 THR 45 2HG2 THR 45 -10.245 1.338 -1.454 340 3HG2 THR 45 3HG2 THR 45 -8.651 1.886 -0.920 341 H VAL 46 H VAL 46 -6.801 0.534 0.417 342 HA VAL 46 HA VAL 46 -5.810 3.292 0.836 343 HB VAL 46 HB VAL 46 -4.746 1.860 2.464 344 1HG1 VAL 46 1HG1 VAL 46 -4.862 -0.337 1.213 345 2HG1 VAL 46 2HG1 VAL 46 -3.611 0.252 0.110 346 3HG1 VAL 46 3HG1 VAL 46 -3.231 0.018 1.819 347 1HG2 VAL 46 1HG2 VAL 46 -3.423 3.724 1.303 348 2HG2 VAL 46 2HG2 VAL 46 -2.466 2.430 2.002 349 3HG2 VAL 46 3HG2 VAL 46 -2.781 2.487 0.238 350 H ASN 47 H ASN 47 -4.670 4.122 -0.842 351 HA ASN 47 HA ASN 47 -4.796 2.629 -3.395 352 1HB ASN 47 2HB ASN 47 -6.175 4.526 -3.719 353 2HB ASN 47 3HB ASN 47 -5.195 5.532 -2.647 354 1HD2 ASN 47 1HD2 ASN 47 -4.547 3.609 -5.686 355 2HD2 ASN 47 2HD2 ASN 47 -3.744 4.964 -6.467 356 H VAL 48 H VAL 48 -2.856 2.499 -4.560 357 HA VAL 48 HA VAL 48 -0.705 4.288 -3.785 358 HB VAL 48 HB VAL 48 -0.204 2.444 -2.319 359 1HG1 VAL 48 1HG1 VAL 48 -0.082 0.671 -4.781 360 2HG1 VAL 48 2HG1 VAL 48 0.370 0.216 -3.121 361 3HG1 VAL 48 3HG1 VAL 48 -1.314 0.603 -3.499 362 1HG2 VAL 48 1HG2 VAL 48 1.680 3.654 -3.303 363 2HG2 VAL 48 2HG2 VAL 48 2.091 1.953 -3.052 364 3HG2 VAL 48 3HG2 VAL 48 1.713 2.538 -4.683 365 H ILE 49 H ILE 49 0.446 4.950 -5.413 366 HA ILE 49 HA ILE 49 -0.311 4.048 -8.122 367 HB ILE 49 HB ILE 49 0.942 6.711 -7.400 368 1HG1 ILE 49 2HG1 ILE 49 -1.993 5.938 -7.363 369 2HG1 ILE 49 3HG1 ILE 49 -1.051 6.716 -6.089 370 1HG2 ILE 49 1HG2 ILE 49 0.995 5.834 -9.771 371 2HG2 ILE 49 2HG2 ILE 49 -0.781 5.831 -9.759 372 3HG2 ILE 49 3HG2 ILE 49 0.121 7.354 -9.597 373 1HD1 ILE 49 1HD1 ILE 49 -1.923 7.972 -8.714 374 2HD1 ILE 49 2HD1 ILE 49 -2.450 8.380 -7.075 375 3HD1 ILE 49 3HD1 ILE 49 -0.780 8.726 -7.573 376 H TYR 50 H TYR 50 1.238 2.870 -9.112 377 HA TYR 50 HA TYR 50 4.077 3.479 -8.651 378 1HB TYR 50 2HB TYR 50 4.596 1.047 -8.271 379 2HB TYR 50 3HB TYR 50 3.845 1.812 -6.916 380 HD1 TYR 50 HD1 TYR 50 2.116 0.495 -5.883 381 HD2 TYR 50 HD2 TYR 50 2.978 -0.173 -10.055 382 HE1 TYR 50 HE1 TYR 50 0.516 -1.401 -5.951 383 HE2 TYR 50 HE2 TYR 50 1.229 -1.848 -10.172 384 HH TYR 50 HH TYR 50 -0.242 -3.123 -8.984 385 H ASP 51 H ASP 51 5.449 2.020 -10.027 386 HA ASP 51 HA ASP 51 4.201 1.830 -12.686 387 1HB ASP 51 2HB ASP 51 5.997 3.446 -12.197 388 2HB ASP 51 3HB ASP 51 7.110 2.126 -11.907 389 HA PRO 52 HA PRO 52 4.822 -2.696 -12.195 390 1HB PRO 52 2HB PRO 52 3.951 -3.514 -14.603 391 2HB PRO 52 3HB PRO 52 2.856 -2.875 -13.344 392 1HG PRO 52 2HG PRO 52 4.053 -1.360 -15.681 393 2HG PRO 52 3HG PRO 52 2.333 -1.424 -15.193 394 1HD PRO 52 2HD PRO 52 3.997 0.590 -14.464 395 2HD PRO 52 3HD PRO 52 2.732 0.001 -13.336 396 H ALA 53 H ALA 53 6.886 -0.589 -13.737 397 HA ALA 53 HA ALA 53 8.379 -2.575 -15.321 398 1HB ALA 53 1HB ALA 53 9.164 0.200 -14.325 399 2HB ALA 53 2HB ALA 53 10.056 -0.786 -15.499 400 3HB ALA 53 3HB ALA 53 8.438 -0.176 -15.902 401 H GLU 54 H GLU 54 8.573 -0.941 -12.216 402 HA GLU 54 HA GLU 54 10.728 -2.731 -11.184 403 1HB GLU 54 2HB GLU 54 9.528 -0.067 -10.333 404 2HB GLU 54 3HB GLU 54 10.675 -0.957 -9.343 405 1HG GLU 54 2HG GLU 54 12.339 -0.832 -11.213 406 2HG GLU 54 3HG GLU 54 11.172 0.096 -12.172 407 H THR 55 H THR 55 7.393 -1.679 -10.723 408 HA THR 55 HA THR 55 7.139 -3.174 -8.224 409 HB THR 55 HB THR 55 6.581 -0.318 -8.793 410 HG1 THR 55 1HG THR 55 8.386 -0.362 -7.213 411 1HG2 THR 55 1HG2 THR 55 6.178 -2.032 -6.326 412 2HG2 THR 55 2HG2 THR 55 6.245 -0.223 -6.342 413 3HG2 THR 55 3HG2 THR 55 4.974 -1.058 -7.250 414 H GLY 56 H GLY 56 5.409 -4.192 -7.618 415 1HA GLY 56 2HA GLY 56 2.903 -3.124 -8.109 416 2HA GLY 56 3HA GLY 56 3.057 -4.596 -9.103 417 H THR 57 H THR 57 1.300 -5.022 -7.560 418 HA THR 57 HA THR 57 1.159 -5.536 -4.946 419 HB THR 57 HB THR 57 -0.718 -5.910 -6.090 420 HG1 THR 57 1HG THR 57 -0.027 -8.605 -5.743 421 1HG2 THR 57 1HG2 THR 57 -0.068 -6.229 -8.360 422 2HG2 THR 57 2HG2 THR 57 0.710 -7.790 -8.005 423 3HG2 THR 57 3HG2 THR 57 -1.053 -7.605 -7.895 424 H ALA 58 H ALA 58 2.977 -7.678 -7.181 425 HA ALA 58 HA ALA 58 3.817 -9.688 -5.466 426 1HB ALA 58 1HB ALA 58 5.866 -9.762 -6.862 427 2HB ALA 58 2HB ALA 58 4.404 -9.590 -7.850 428 3HB ALA 58 3HB ALA 58 5.453 -8.185 -7.560 429 H ALA 59 H ALA 59 5.294 -6.400 -5.714 430 HA ALA 59 HA ALA 59 7.459 -7.133 -3.820 431 1HB ALA 59 1HB ALA 59 6.840 -4.532 -5.304 432 2HB ALA 59 2HB ALA 59 8.264 -4.860 -4.297 433 3HB ALA 59 3HB ALA 59 8.028 -5.754 -5.810 434 H ILE 60 H ILE 60 4.446 -5.333 -4.197 435 HA ILE 60 HA ILE 60 4.728 -3.795 -1.856 436 HB ILE 60 HB ILE 60 2.628 -4.371 -3.897 437 1HG1 ILE 60 2HG1 ILE 60 2.388 -1.812 -3.587 438 2HG1 ILE 60 3HG1 ILE 60 3.782 -1.950 -2.522 439 1HG2 ILE 60 1HG2 ILE 60 1.811 -3.243 -1.210 440 2HG2 ILE 60 2HG2 ILE 60 0.851 -3.244 -2.709 441 3HG2 ILE 60 3HG2 ILE 60 1.249 -4.766 -1.932 442 1HD1 ILE 60 1HD1 ILE 60 5.076 -2.880 -4.452 443 2HD1 ILE 60 2HD1 ILE 60 3.629 -2.618 -5.470 444 3HD1 ILE 60 3HD1 ILE 60 4.440 -1.240 -4.711 445 H GLN 61 H GLN 61 2.825 -6.823 -2.399 446 HA GLN 61 HA GLN 61 1.824 -7.129 0.204 447 1HB GLN 61 2HB GLN 61 2.431 -8.950 -2.087 448 2HB GLN 61 3HB GLN 61 2.479 -9.696 -0.494 449 1HG GLN 61 2HG GLN 61 0.360 -10.124 -1.092 450 2HG GLN 61 3HG GLN 61 0.179 -8.726 -0.037 451 1HE2 GLN 61 1HE2 GLN 61 0.819 -6.670 -1.961 452 2HE2 GLN 61 2HE2 GLN 61 -0.403 -6.730 -3.230 453 H GLU 62 H GLU 62 4.885 -8.367 -1.108 454 HA GLU 62 HA GLU 62 6.014 -9.515 1.120 455 1HB GLU 62 2HB GLU 62 6.812 -8.862 -1.466 456 2HB GLU 62 3HB GLU 62 7.838 -7.764 -0.568 457 1HG GLU 62 2HG GLU 62 7.677 -10.772 -0.016 458 2HG GLU 62 3HG GLU 62 8.721 -10.057 -1.256 459 H LYS 63 H LYS 63 6.256 -6.006 0.292 460 HA LYS 63 HA LYS 63 7.622 -5.524 2.826 461 1HB LYS 63 2HB LYS 63 6.989 -4.027 0.394 462 2HB LYS 63 3HB LYS 63 6.577 -3.130 1.836 463 1HG LYS 63 2HG LYS 63 8.841 -2.635 1.191 464 2HG LYS 63 3HG LYS 63 8.868 -3.456 2.749 465 1HD LYS 63 2HD LYS 63 9.111 -5.214 0.316 466 2HD LYS 63 3HD LYS 63 10.435 -4.074 0.567 467 1HE LYS 63 2HE LYS 63 10.834 -4.987 2.849 468 2HE LYS 63 3HE LYS 63 9.560 -6.192 2.599 469 1HZ LYS 63 1HZ LYS 63 10.713 -7.110 0.807 470 2HZ LYS 63 2HZ LYS 63 11.981 -6.060 0.960 471 3HZ LYS 63 3HZ LYS 63 11.606 -7.172 2.130 472 H ILE 64 H ILE 64 4.210 -5.253 1.735 473 HA ILE 64 HA ILE 64 3.316 -3.812 3.862 474 HB ILE 64 HB ILE 64 1.931 -5.994 2.277 475 1HG1 ILE 64 2HG1 ILE 64 2.458 -4.029 0.939 476 2HG1 ILE 64 3HG1 ILE 64 0.734 -4.235 1.189 477 1HG2 ILE 64 1HG2 ILE 64 0.498 -6.008 4.065 478 2HG2 ILE 64 2HG2 ILE 64 1.066 -4.436 4.681 479 3HG2 ILE 64 3HG2 ILE 64 -0.075 -4.467 3.373 480 1HD1 ILE 64 1HD1 ILE 64 1.538 -2.650 3.321 481 2HD1 ILE 64 2HD1 ILE 64 2.547 -2.086 2.001 482 3HD1 ILE 64 3HD1 ILE 64 0.757 -2.081 1.840 483 H GLU 65 H GLU 65 3.771 -7.408 3.531 484 HA GLU 65 HA GLU 65 2.865 -8.263 6.072 485 1HB GLU 65 2HB GLU 65 4.957 -9.181 4.102 486 2HB GLU 65 3HB GLU 65 4.808 -9.999 5.664 487 1HG GLU 65 2HG GLU 65 2.272 -9.585 4.095 488 2HG GLU 65 3HG GLU 65 3.427 -10.787 3.510 489 H LYS 66 H LYS 66 6.099 -6.911 5.138 490 HA LYS 66 HA LYS 66 7.177 -7.448 7.739 491 1HB LYS 66 2HB LYS 66 8.228 -7.111 5.259 492 2HB LYS 66 3HB LYS 66 8.460 -5.469 5.901 493 1HG LYS 66 2HG LYS 66 9.527 -6.538 7.960 494 2HG LYS 66 3HG LYS 66 9.239 -8.114 7.199 495 1HD LYS 66 2HD LYS 66 10.701 -6.992 5.220 496 2HD LYS 66 3HD LYS 66 11.312 -6.037 6.593 497 1HE LYS 66 2HE LYS 66 11.366 -8.482 7.740 498 2HE LYS 66 3HE LYS 66 11.421 -9.038 6.067 499 1HZ LYS 66 1HZ LYS 66 13.425 -7.674 5.792 500 2HZ LYS 66 2HZ LYS 66 13.364 -7.248 7.385 501 3HZ LYS 66 3HZ LYS 66 13.605 -8.814 6.959 502 H LEU 67 H LEU 67 5.663 -4.650 6.155 503 HA LEU 67 HA LEU 67 6.165 -2.721 8.171 504 1HB LEU 67 2HB LEU 67 4.068 -3.230 6.051 505 2HB LEU 67 3HB LEU 67 3.670 -2.082 7.291 506 HG LEU 67 HG LEU 67 4.522 -1.034 5.331 507 1HD1 LEU 67 1HD1 LEU 67 6.636 -0.729 7.487 508 2HD1 LEU 67 2HD1 LEU 67 6.035 0.506 6.369 509 3HD1 LEU 67 3HD1 LEU 67 4.973 -0.105 7.653 510 1HD2 LEU 67 1HD2 LEU 67 5.983 -2.496 4.273 511 2HD2 LEU 67 2HD2 LEU 67 6.970 -1.120 4.738 512 3HD2 LEU 67 3HD2 LEU 67 7.080 -2.611 5.679 513 H GLY 68 H GLY 68 4.321 -5.687 8.279 514 1HA GLY 68 2HA GLY 68 3.776 -6.709 10.275 515 2HA GLY 68 3HA GLY 68 3.710 -5.157 11.119 516 H TYR 69 H TYR 69 2.162 -5.668 7.958 517 HA TYR 69 HA TYR 69 -0.528 -5.914 9.253 518 1HB TYR 69 2HB TYR 69 0.245 -3.828 7.181 519 2HB TYR 69 3HB TYR 69 -1.383 -4.137 7.773 520 HD1 TYR 69 HD1 TYR 69 1.990 -2.942 8.751 521 HD2 TYR 69 HD2 TYR 69 -2.169 -3.091 9.778 522 HE1 TYR 69 HE1 TYR 69 2.389 -1.256 10.472 523 HE2 TYR 69 HE2 TYR 69 -1.813 -1.312 11.477 524 HH TYR 69 HH TYR 69 1.398 0.174 12.003 525 H HIS 70 H HIS 70 -2.241 -6.377 7.529 526 HA HIS 70 HA HIS 70 -1.038 -8.121 5.422 527 1HB HIS 70 2HB HIS 70 -3.732 -8.894 6.217 528 2HB HIS 70 3HB HIS 70 -2.269 -9.816 5.969 529 HD1 HIS 70 1HD HIS 70 -2.009 -11.320 8.009 530 HD2 HIS 70 2HD HIS 70 -3.485 -7.498 8.890 531 HE1 HIS 70 1HE HIS 70 -2.572 -11.298 10.503 532 H VAL 71 H VAL 71 -1.491 -7.333 3.472 533 HA VAL 71 HA VAL 71 -3.797 -5.501 3.076 534 HB VAL 71 HB VAL 71 -1.594 -4.979 2.074 535 1HG1 VAL 71 1HG1 VAL 71 -0.820 -6.097 0.085 536 2HG1 VAL 71 2HG1 VAL 71 -0.948 -7.296 1.386 537 3HG1 VAL 71 3HG1 VAL 71 -2.190 -7.223 0.111 538 1HG2 VAL 71 1HG2 VAL 71 -3.848 -5.265 0.086 539 2HG2 VAL 71 2HG2 VAL 71 -3.614 -3.944 1.262 540 3HG2 VAL 71 3HG2 VAL 71 -2.424 -4.213 -0.019 541 H VAL 72 H VAL 72 -5.525 -6.019 1.623 542 HA VAL 72 HA VAL 72 -5.746 -8.839 0.719 543 HB VAL 72 HB VAL 72 -8.276 -8.442 1.489 544 1HG1 VAL 72 1HG1 VAL 72 -6.055 -9.367 3.339 545 2HG1 VAL 72 2HG1 VAL 72 -7.786 -9.767 3.478 546 3HG1 VAL 72 3HG1 VAL 72 -6.863 -10.334 2.071 547 1HG2 VAL 72 1HG2 VAL 72 -8.497 -7.394 3.651 548 2HG2 VAL 72 2HG2 VAL 72 -6.759 -7.062 3.761 549 3HG2 VAL 72 3HG2 VAL 72 -7.752 -6.206 2.578 550 H ILE 73 H ILE 73 -6.042 -8.787 -1.385 551 HA ILE 73 HA ILE 73 -7.370 -6.438 -2.648 552 HB ILE 73 HB ILE 73 -5.485 -8.380 -4.015 553 1HG1 ILE 73 2HG1 ILE 73 -4.792 -5.967 -2.322 554 2HG1 ILE 73 3HG1 ILE 73 -4.101 -7.586 -2.290 555 1HG2 ILE 73 1HG2 ILE 73 -7.063 -6.885 -5.328 556 2HG2 ILE 73 2HG2 ILE 73 -6.262 -5.488 -4.601 557 3HG2 ILE 73 3HG2 ILE 73 -5.355 -6.595 -5.661 558 1HD1 ILE 73 1HD1 ILE 73 -3.117 -7.164 -4.556 559 2HD1 ILE 73 2HD1 ILE 73 -3.708 -5.478 -4.443 560 3HD1 ILE 73 3HD1 ILE 73 -2.524 -6.081 -3.278 561 H GLU 74 H GLU 74 -9.332 -7.678 -1.847 562 HA GLU 74 HA GLU 74 -10.178 -9.921 -3.615 563 1HB GLU 74 2HB GLU 74 -11.329 -8.625 -1.119 564 2HB GLU 74 3HB GLU 74 -12.210 -9.816 -2.076 565 1HG GLU 74 2HG GLU 74 -9.416 -10.575 -1.224 566 2HG GLU 74 3HG GLU 74 -10.685 -10.539 0.009 567 H GLY 75 H GLY 75 -11.329 -9.446 -5.411 568 1HA GLY 75 2HA GLY 75 -12.908 -8.432 -6.777 569 2HA GLY 75 3HA GLY 75 -13.242 -7.216 -5.534 570 H ARG 76 H ARG 76 -12.142 -7.376 -8.670 571 HA ARG 76 HA ARG 76 -10.865 -4.910 -8.717 572 1HB ARG 76 2HB ARG 76 -9.134 -7.162 -7.988 573 2HB ARG 76 3HB ARG 76 -8.739 -6.668 -9.620 574 1HG ARG 76 2HG ARG 76 -8.996 -4.697 -7.295 575 2HG ARG 76 3HG ARG 76 -7.480 -5.508 -7.685 576 1HD ARG 76 2HD ARG 76 -9.044 -3.810 -9.683 577 2HD ARG 76 3HD ARG 76 -7.726 -3.212 -8.641 578 HE ARG 76 HE ARG 76 -7.074 -5.598 -10.201 579 1HH1 ARG 76 2HH2 ARG 76 -7.349 -2.122 -10.449 580 2HH1 ARG 76 1HH2 ARG 76 -5.974 -1.885 -11.485 581 1HH2 ARG 76 2HH1 ARG 76 -5.307 -5.400 -11.670 582 2HH2 ARG 76 1HH1 ARG 76 -4.837 -3.852 -12.293 Start of MODEL 26 1 1H MET 1 H1 MET 1 10.026 0.967 -24.763 2 2H MET 1 H2 MET 1 10.657 -0.326 -25.621 3 3H MET 1 H3 MET 1 9.859 0.927 -26.388 4 HA MET 1 HA MET 1 8.237 -0.729 -26.277 5 1HB MET 1 2HB MET 1 9.326 -1.078 -23.453 6 2HB MET 1 3HB MET 1 7.771 -1.742 -23.951 7 1HG MET 1 2HG MET 1 9.648 -3.352 -23.974 8 2HG MET 1 3HG MET 1 8.754 -3.269 -25.484 9 1HE MET 1 1HE MET 1 11.329 -2.526 -28.091 10 2HE MET 1 2HE MET 1 9.997 -3.593 -27.607 11 3HE MET 1 3HE MET 1 9.751 -1.832 -27.663 12 H LEU 2 H LEU 2 6.047 -0.451 -25.154 13 HA LEU 2 HA LEU 2 5.645 2.311 -24.182 14 1HB LEU 2 2HB LEU 2 3.286 1.599 -23.994 15 2HB LEU 2 3HB LEU 2 3.903 1.614 -25.640 16 HG LEU 2 HG LEU 2 4.083 -1.036 -24.235 17 1HD1 LEU 2 1HD1 LEU 2 1.922 -0.250 -23.402 18 2HD1 LEU 2 2HD1 LEU 2 1.408 0.151 -25.055 19 3HD1 LEU 2 3HD1 LEU 2 1.709 -1.541 -24.597 20 1HD2 LEU 2 1HD2 LEU 2 3.373 -1.866 -26.420 21 2HD2 LEU 2 2HD2 LEU 2 3.010 -0.220 -26.972 22 3HD2 LEU 2 3HD2 LEU 2 4.687 -0.704 -26.665 23 H SER 3 H SER 3 5.109 2.721 -22.017 24 HA SER 3 HA SER 3 4.770 0.573 -20.109 25 1HB SER 3 2HB SER 3 7.003 2.635 -19.736 26 2HB SER 3 3HB SER 3 6.522 1.370 -18.592 27 HG SER 3 HG SER 3 8.347 0.711 -19.745 28 H GLU 4 H GLU 4 3.530 1.434 -18.341 29 HA GLU 4 HA GLU 4 3.311 4.282 -17.942 30 1HB GLU 4 2HB GLU 4 0.786 4.196 -18.171 31 2HB GLU 4 3HB GLU 4 1.692 4.262 -19.684 32 1HG GLU 4 2HG GLU 4 0.827 1.559 -18.612 33 2HG GLU 4 3HG GLU 4 -0.337 2.617 -19.414 34 H GLN 5 H GLN 5 2.370 4.712 -15.961 35 HA GLN 5 HA GLN 5 2.523 2.473 -14.052 36 1HB GLN 5 2HB GLN 5 2.440 4.203 -12.378 37 2HB GLN 5 3HB GLN 5 3.776 4.461 -13.521 38 1HG GLN 5 2HG GLN 5 2.350 6.231 -14.647 39 2HG GLN 5 3HG GLN 5 1.118 5.973 -13.403 40 1HE2 GLN 5 1HE2 GLN 5 3.472 5.506 -11.373 41 2HE2 GLN 5 2HE2 GLN 5 3.909 7.106 -10.943 42 H LYS 6 H LYS 6 0.873 2.607 -12.141 43 HA LYS 6 HA LYS 6 -1.755 3.613 -12.941 44 1HB LYS 6 2HB LYS 6 -1.070 0.670 -12.973 45 2HB LYS 6 3HB LYS 6 -2.553 1.127 -12.165 46 1HG LYS 6 2HG LYS 6 -2.964 2.543 -14.438 47 2HG LYS 6 3HG LYS 6 -1.839 1.347 -15.053 48 1HD LYS 6 2HD LYS 6 -3.953 0.343 -15.422 49 2HD LYS 6 3HD LYS 6 -3.327 -0.451 -13.983 50 1HE LYS 6 2HE LYS 6 -5.651 0.027 -13.582 51 2HE LYS 6 3HE LYS 6 -4.730 1.117 -12.550 52 1HZ LYS 6 1HZ LYS 6 -5.982 1.812 -15.126 53 2HZ LYS 6 2HZ LYS 6 -6.503 2.256 -13.631 54 3HZ LYS 6 3HZ LYS 6 -5.088 2.848 -14.210 55 H GLU 7 H GLU 7 -3.319 3.407 -11.264 56 HA GLU 7 HA GLU 7 -2.264 3.451 -8.521 57 1HB GLU 7 2HB GLU 7 -4.640 3.954 -7.989 58 2HB GLU 7 3HB GLU 7 -3.860 5.188 -8.977 59 1HG GLU 7 2HG GLU 7 -5.089 4.663 -10.898 60 2HG GLU 7 3HG GLU 7 -5.442 3.005 -10.372 61 H ILE 8 H ILE 8 -2.964 1.941 -6.991 62 HA ILE 8 HA ILE 8 -4.912 -0.102 -7.790 63 HB ILE 8 HB ILE 8 -2.341 -0.843 -7.631 64 1HG1 ILE 8 2HG1 ILE 8 -3.055 -3.039 -6.511 65 2HG1 ILE 8 3HG1 ILE 8 -4.680 -2.331 -6.417 66 1HG2 ILE 8 1HG2 ILE 8 -1.839 0.236 -5.545 67 2HG2 ILE 8 2HG2 ILE 8 -3.059 -0.717 -4.684 68 3HG2 ILE 8 3HG2 ILE 8 -1.655 -1.520 -5.382 69 1HD1 ILE 8 1HD1 ILE 8 -4.533 -1.904 -8.917 70 2HD1 ILE 8 2HD1 ILE 8 -2.944 -2.681 -8.912 71 3HD1 ILE 8 3HD1 ILE 8 -4.392 -3.632 -8.506 72 H ALA 9 H ALA 9 -6.191 -0.757 -5.903 73 HA ALA 9 HA ALA 9 -5.938 0.872 -3.456 74 1HB ALA 9 1HB ALA 9 -7.543 2.093 -4.900 75 2HB ALA 9 2HB ALA 9 -8.496 0.605 -5.084 76 3HB ALA 9 3HB ALA 9 -8.343 1.371 -3.487 77 H MET 10 H MET 10 -6.275 -0.429 -1.627 78 HA MET 10 HA MET 10 -7.848 -2.876 -1.887 79 1HB MET 10 2HB MET 10 -6.002 -4.421 -1.407 80 2HB MET 10 3HB MET 10 -5.721 -3.568 -2.920 81 1HG MET 10 2HG MET 10 -4.243 -1.923 -1.559 82 2HG MET 10 3HG MET 10 -4.470 -3.065 -0.234 83 1HE MET 10 1HE MET 10 -3.519 -3.033 -4.041 84 2HE MET 10 2HE MET 10 -2.289 -2.091 -3.134 85 3HE MET 10 3HE MET 10 -1.832 -3.619 -3.930 86 H GLN 11 H GLN 11 -7.490 -4.237 0.310 87 HA GLN 11 HA GLN 11 -7.941 -2.198 2.430 88 1HB GLN 11 2HB GLN 11 -9.200 -4.843 2.797 89 2HB GLN 11 3HB GLN 11 -9.743 -3.239 3.212 90 1HG GLN 11 2HG GLN 11 -11.300 -3.782 1.649 91 2HG GLN 11 3HG GLN 11 -10.143 -3.015 0.564 92 1HE2 GLN 11 1HE2 GLN 11 -8.896 -4.487 -0.869 93 2HE2 GLN 11 2HE2 GLN 11 -9.105 -6.213 -0.836 94 H VAL 12 H VAL 12 -7.179 -2.649 4.480 95 HA VAL 12 HA VAL 12 -5.080 -4.750 4.641 96 HB VAL 12 HB VAL 12 -4.661 -2.220 6.148 97 1HG1 VAL 12 1HG1 VAL 12 -2.360 -2.569 5.420 98 2HG1 VAL 12 2HG1 VAL 12 -3.001 -4.028 6.210 99 3HG1 VAL 12 3HG1 VAL 12 -2.890 -3.932 4.432 100 1HG2 VAL 12 1HG2 VAL 12 -3.610 -1.104 4.173 101 2HG2 VAL 12 2HG2 VAL 12 -4.255 -2.378 3.113 102 3HG2 VAL 12 3HG2 VAL 12 -5.353 -1.257 3.947 103 H SER 13 H SER 13 -4.464 -5.452 6.753 104 HA SER 13 HA SER 13 -6.649 -5.287 8.758 105 1HB SER 13 2HB SER 13 -5.456 -7.419 8.149 106 2HB SER 13 3HB SER 13 -4.036 -6.800 9.013 107 HG SER 13 HG SER 13 -6.609 -7.508 9.953 108 H GLY 14 H GLY 14 -5.923 -5.005 11.023 109 1HA GLY 14 2HA GLY 14 -5.364 -3.530 12.684 110 2HA GLY 14 3HA GLY 14 -3.735 -3.794 12.064 111 H MET 15 H MET 15 -6.360 -2.032 10.378 112 HA MET 15 HA MET 15 -4.741 0.448 10.451 113 1HB MET 15 2HB MET 15 -5.602 0.938 8.297 114 2HB MET 15 3HB MET 15 -5.054 -0.738 8.259 115 1HG MET 15 2HG MET 15 -7.476 -1.387 8.810 116 2HG MET 15 3HG MET 15 -7.923 0.268 8.455 117 1HE MET 15 1HE MET 15 -7.401 1.370 5.924 118 2HE MET 15 2HE MET 15 -5.740 0.698 5.907 119 3HE MET 15 3HE MET 15 -6.848 0.367 4.573 120 H THR 16 H THR 16 -6.808 2.057 9.512 121 HA THR 16 HA THR 16 -8.330 3.526 10.269 122 HB THR 16 HB THR 16 -9.730 1.746 9.355 123 HG1 THR 16 1HG THR 16 -10.683 3.304 11.507 124 1HG2 THR 16 1HG2 THR 16 -10.165 0.945 12.273 125 2HG2 THR 16 2HG2 THR 16 -11.213 0.508 10.917 126 3HG2 THR 16 3HG2 THR 16 -9.559 -0.091 10.958 127 H CYS 17 H CYS 17 -6.327 2.619 12.278 128 HA CYS 17 HA CYS 17 -7.794 2.908 14.819 129 1HB CYS 17 2HB CYS 17 -6.291 0.966 14.252 130 2HB CYS 17 3HB CYS 17 -4.906 2.085 14.313 131 HG CYS 17 HG CYS 17 -5.112 0.762 16.588 132 H ALA 18 H ALA 18 -4.928 4.194 13.145 133 HA ALA 18 HA ALA 18 -5.621 6.876 13.780 134 1HB ALA 18 1HB ALA 18 -3.158 5.785 15.218 135 2HB ALA 18 2HB ALA 18 -3.522 7.516 14.987 136 3HB ALA 18 3HB ALA 18 -4.606 6.498 15.944 137 H ALA 19 H ALA 19 -2.212 6.094 13.426 138 HA ALA 19 HA ALA 19 -2.338 7.035 10.589 139 1HB ALA 19 1HB ALA 19 -0.061 7.823 10.995 140 2HB ALA 19 2HB ALA 19 -1.165 8.461 12.226 141 3HB ALA 19 3HB ALA 19 -0.079 7.112 12.624 142 H CYS 20 H CYS 20 -2.825 4.260 11.331 143 HA CYS 20 HA CYS 20 -0.389 2.695 11.159 144 1HB CYS 20 2HB CYS 20 -3.345 2.040 11.033 145 2HB CYS 20 3HB CYS 20 -2.127 0.807 10.628 146 HG CYS 20 HG CYS 20 -2.932 0.361 12.994 147 H ALA 21 H ALA 21 -3.173 2.834 8.867 148 HA ALA 21 HA ALA 21 -1.912 1.708 6.642 149 1HB ALA 21 1HB ALA 21 -4.046 3.792 6.736 150 2HB ALA 21 2HB ALA 21 -3.607 2.810 5.309 151 3HB ALA 21 3HB ALA 21 -4.242 2.025 6.767 152 H ALA 22 H ALA 22 -1.815 5.066 7.792 153 HA ALA 22 HA ALA 22 -0.484 6.162 5.529 154 1HB ALA 22 1HB ALA 22 -0.508 6.898 8.500 155 2HB ALA 22 2HB ALA 22 0.234 7.919 7.239 156 3HB ALA 22 3HB ALA 22 -1.513 7.584 7.217 157 H ARG 23 H ARG 23 0.929 4.898 8.635 158 HA ARG 23 HA ARG 23 3.680 5.092 7.813 159 1HB ARG 23 2HB ARG 23 2.226 3.207 9.712 160 2HB ARG 23 3HB ARG 23 3.974 3.223 9.527 161 1HG ARG 23 2HG ARG 23 2.411 5.723 10.325 162 2HG ARG 23 3HG ARG 23 2.936 4.493 11.483 163 1HD ARG 23 2HD ARG 23 5.296 4.798 10.591 164 2HD ARG 23 3HD ARG 23 4.701 6.244 9.732 165 HE ARG 23 HE ARG 23 3.833 6.529 12.360 166 1HH1 ARG 23 2HH2 ARG 23 6.950 6.268 10.749 167 2HH1 ARG 23 1HH2 ARG 23 7.874 6.957 12.050 168 1HH2 ARG 23 2HH1 ARG 23 5.021 7.423 14.136 169 2HH2 ARG 23 1HH1 ARG 23 6.732 7.655 14.016 170 H ILE 24 H ILE 24 1.395 2.364 7.630 171 HA ILE 24 HA ILE 24 2.956 0.402 6.455 172 HB ILE 24 HB ILE 24 0.065 1.188 6.111 173 1HG1 ILE 24 2HG1 ILE 24 1.269 -1.193 7.540 174 2HG1 ILE 24 3HG1 ILE 24 0.992 0.327 8.373 175 1HG2 ILE 24 1HG2 ILE 24 1.141 -1.493 5.264 176 2HG2 ILE 24 2HG2 ILE 24 -0.503 -0.863 5.057 177 3HG2 ILE 24 3HG2 ILE 24 0.793 -0.187 4.102 178 1HD1 ILE 24 1HD1 ILE 24 -0.848 -1.259 8.800 179 2HD1 ILE 24 2HD1 ILE 24 -1.439 0.152 7.980 180 3HD1 ILE 24 3HD1 ILE 24 -1.209 -1.359 7.082 181 H GLU 25 H GLU 25 0.906 2.783 4.672 182 HA GLU 25 HA GLU 25 1.955 1.886 2.215 183 1HB GLU 25 2HB GLU 25 -0.255 3.391 2.977 184 2HB GLU 25 3HB GLU 25 0.759 4.622 2.264 185 1HG GLU 25 2HG GLU 25 -0.587 3.699 0.462 186 2HG GLU 25 3HG GLU 25 1.051 3.093 0.222 187 H LYS 26 H LYS 26 2.836 4.666 4.331 188 HA LYS 26 HA LYS 26 4.597 5.958 2.538 189 1HB LYS 26 2HB LYS 26 4.352 5.715 5.542 190 2HB LYS 26 3HB LYS 26 5.756 6.488 4.857 191 1HG LYS 26 2HG LYS 26 2.974 7.340 3.948 192 2HG LYS 26 3HG LYS 26 3.672 7.939 5.460 193 1HD LYS 26 2HD LYS 26 5.718 8.721 4.224 194 2HD LYS 26 3HD LYS 26 5.031 8.130 2.719 195 1HE LYS 26 2HE LYS 26 4.739 10.517 2.815 196 2HE LYS 26 3HE LYS 26 3.152 9.738 2.897 197 1HZ LYS 26 1HZ LYS 26 4.662 10.795 5.206 198 2HZ LYS 26 2HZ LYS 26 3.401 11.546 4.468 199 3HZ LYS 26 3HZ LYS 26 3.155 10.131 5.262 200 H GLY 27 H GLY 27 4.998 3.070 4.593 201 1HA GLY 27 2HA GLY 27 7.708 2.461 4.071 202 2HA GLY 27 3HA GLY 27 6.386 1.302 4.260 203 H LEU 28 H LEU 28 4.765 1.782 2.010 204 HA LEU 28 HA LEU 28 6.334 0.592 -0.102 205 1HB LEU 28 2HB LEU 28 3.575 1.821 -0.205 206 2HB LEU 28 3HB LEU 28 4.331 0.862 -1.474 207 HG LEU 28 HG LEU 28 3.796 -0.174 1.321 208 1HD1 LEU 28 1HD1 LEU 28 1.756 0.218 0.304 209 2HD1 LEU 28 2HD1 LEU 28 2.269 -0.305 -1.300 210 3HD1 LEU 28 3HD1 LEU 28 2.037 -1.495 -0.008 211 1HD2 LEU 28 1HD2 LEU 28 4.197 -2.417 -0.069 212 2HD2 LEU 28 2HD2 LEU 28 5.226 -1.373 -1.057 213 3HD2 LEU 28 3HD2 LEU 28 5.532 -1.529 0.668 214 H LYS 29 H LYS 29 5.353 3.947 0.604 215 HA LYS 29 HA LYS 29 6.241 5.003 -1.882 216 1HB LYS 29 2HB LYS 29 4.953 6.403 -0.625 217 2HB LYS 29 3HB LYS 29 5.988 6.332 0.796 218 1HG LYS 29 2HG LYS 29 7.697 7.625 -0.172 219 2HG LYS 29 3HG LYS 29 7.099 7.394 -1.815 220 1HD LYS 29 2HD LYS 29 5.606 9.012 0.289 221 2HD LYS 29 3HD LYS 29 6.752 9.662 -0.899 222 1HE LYS 29 2HE LYS 29 5.183 8.244 -2.593 223 2HE LYS 29 3HE LYS 29 3.985 8.538 -1.339 224 1HZ LYS 29 1HZ LYS 29 4.002 10.285 -3.054 225 2HZ LYS 29 2HZ LYS 29 4.435 10.941 -1.646 226 3HZ LYS 29 3HZ LYS 29 5.559 10.590 -2.808 227 H ARG 30 H ARG 30 8.146 3.462 0.581 228 HA ARG 30 HA ARG 30 10.657 4.582 -0.545 229 1HB ARG 30 2HB ARG 30 9.875 3.112 1.918 230 2HB ARG 30 3HB ARG 30 11.428 2.659 1.235 231 1HG ARG 30 2HG ARG 30 12.190 4.956 1.265 232 2HG ARG 30 3HG ARG 30 10.576 5.544 1.729 233 1HD ARG 30 2HD ARG 30 10.692 4.454 3.866 234 2HD ARG 30 3HD ARG 30 12.198 3.603 3.421 235 HE ARG 30 HE ARG 30 12.729 6.332 3.121 236 1HH1 ARG 30 2HH2 ARG 30 11.845 4.159 5.738 237 2HH1 ARG 30 1HH2 ARG 30 12.736 4.992 6.975 238 1HH2 ARG 30 2HH1 ARG 30 13.964 7.471 4.717 239 2HH2 ARG 30 1HH1 ARG 30 13.972 6.939 6.365 240 H MET 31 H MET 31 8.530 2.166 -1.632 241 HA MET 31 HA MET 31 10.654 0.301 -2.355 242 1HB MET 31 2HB MET 31 7.672 0.349 -2.899 243 2HB MET 31 3HB MET 31 8.748 -0.882 -3.552 244 1HG MET 31 2HG MET 31 8.515 -0.240 -0.587 245 2HG MET 31 3HG MET 31 7.632 -1.539 -1.385 246 1HE MET 31 1HE MET 31 10.320 -4.183 -2.169 247 2HE MET 31 2HE MET 31 8.585 -3.816 -2.037 248 3HE MET 31 3HE MET 31 9.583 -3.006 -3.274 249 HA PRO 32 HA PRO 32 11.829 2.448 -5.993 250 1HB PRO 32 2HB PRO 32 13.070 0.479 -7.447 251 2HB PRO 32 3HB PRO 32 13.734 1.129 -5.924 252 1HG PRO 32 2HG PRO 32 12.057 -1.378 -6.281 253 2HG PRO 32 3HG PRO 32 13.615 -1.225 -5.422 254 1HD PRO 32 2HD PRO 32 11.273 -1.137 -4.082 255 2HD PRO 32 3HD PRO 32 12.596 -0.016 -3.635 256 H GLY 33 H GLY 33 9.840 3.062 -7.014 257 1HA GLY 33 2HA GLY 33 9.214 2.682 -9.496 258 2HA GLY 33 3HA GLY 33 8.609 1.139 -8.926 259 H VAL 34 H VAL 34 8.038 2.777 -6.242 260 HA VAL 34 HA VAL 34 5.302 3.462 -6.782 261 HB VAL 34 HB VAL 34 6.375 2.636 -4.646 262 1HG1 VAL 34 1HG1 VAL 34 8.261 4.499 -4.909 263 2HG1 VAL 34 2HG1 VAL 34 7.102 5.518 -4.053 264 3HG1 VAL 34 3HG1 VAL 34 7.699 4.000 -3.334 265 1HG2 VAL 34 1HG2 VAL 34 4.729 5.176 -4.309 266 2HG2 VAL 34 2HG2 VAL 34 4.073 3.596 -4.785 267 3HG2 VAL 34 3HG2 VAL 34 4.840 3.787 -3.209 268 H THR 35 H THR 35 4.328 5.511 -6.782 269 HA THR 35 HA THR 35 6.126 7.894 -7.031 270 HB THR 35 HB THR 35 3.461 8.441 -8.021 271 HG1 THR 35 1HG THR 35 4.783 6.168 -9.070 272 1HG2 THR 35 1HG2 THR 35 6.140 8.226 -9.472 273 2HG2 THR 35 2HG2 THR 35 4.675 9.042 -10.063 274 3HG2 THR 35 3HG2 THR 35 5.519 9.671 -8.639 275 H ASP 36 H ASP 36 2.792 6.894 -6.016 276 HA ASP 36 HA ASP 36 3.063 8.606 -3.633 277 1HB ASP 36 2HB ASP 36 1.255 9.214 -5.984 278 2HB ASP 36 3HB ASP 36 0.787 9.679 -4.340 279 H ALA 37 H ALA 37 1.726 8.253 -1.995 280 HA ALA 37 HA ALA 37 -0.009 5.826 -2.097 281 1HB ALA 37 1HB ALA 37 1.871 6.879 0.064 282 2HB ALA 37 2HB ALA 37 0.670 5.601 0.287 283 3HB ALA 37 3HB ALA 37 2.023 5.349 -0.837 284 H ASN 38 H ASN 38 -2.075 6.155 -1.270 285 HA ASN 38 HA ASN 38 -2.693 8.682 0.170 286 1HB ASN 38 2HB ASN 38 -3.921 7.705 -2.417 287 2HB ASN 38 3HB ASN 38 -4.806 8.734 -1.284 288 1HD2 ASN 38 1HD2 ASN 38 -2.184 8.645 -3.653 289 2HD2 ASN 38 2HD2 ASN 38 -1.902 10.377 -3.631 290 H VAL 39 H VAL 39 -3.353 7.946 2.032 291 HA VAL 39 HA VAL 39 -4.636 5.363 2.408 292 HB VAL 39 HB VAL 39 -2.988 6.139 3.964 293 1HG1 VAL 39 1HG1 VAL 39 -4.811 8.512 4.582 294 2HG1 VAL 39 2HG1 VAL 39 -3.369 8.042 5.495 295 3HG1 VAL 39 3HG1 VAL 39 -3.202 8.605 3.836 296 1HG2 VAL 39 1HG2 VAL 39 -4.892 4.775 4.797 297 2HG2 VAL 39 2HG2 VAL 39 -4.203 5.856 6.045 298 3HG2 VAL 39 3HG2 VAL 39 -5.730 6.273 5.254 299 H ASN 40 H ASN 40 -6.776 4.861 2.924 300 HA ASN 40 HA ASN 40 -8.683 7.079 3.200 301 1HB ASN 40 2HB ASN 40 -8.592 6.277 0.809 302 2HB ASN 40 3HB ASN 40 -9.155 4.692 1.364 303 1HD2 ASN 40 1HD2 ASN 40 -10.940 5.439 -0.273 304 2HD2 ASN 40 2HD2 ASN 40 -12.308 6.217 0.510 305 H LEU 41 H LEU 41 -8.081 6.237 5.446 306 HA LEU 41 HA LEU 41 -9.122 3.743 6.341 307 1HB LEU 41 2HB LEU 41 -8.783 6.344 7.909 308 2HB LEU 41 3HB LEU 41 -9.111 4.757 8.604 309 HG LEU 41 HG LEU 41 -6.642 5.664 7.125 310 1HD1 LEU 41 1HD1 LEU 41 -5.447 5.556 9.046 311 2HD1 LEU 41 2HD1 LEU 41 -7.021 5.965 9.755 312 3HD1 LEU 41 3HD1 LEU 41 -6.415 4.288 9.772 313 1HD2 LEU 41 1HD2 LEU 41 -5.864 3.227 7.798 314 2HD2 LEU 41 2HD2 LEU 41 -7.588 2.868 7.770 315 3HD2 LEU 41 3HD2 LEU 41 -6.780 3.490 6.302 316 H ALA 42 H ALA 42 -10.827 6.605 5.400 317 HA ALA 42 HA ALA 42 -13.230 6.244 6.912 318 1HB ALA 42 1HB ALA 42 -12.900 7.345 4.090 319 2HB ALA 42 2HB ALA 42 -14.267 7.607 5.180 320 3HB ALA 42 3HB ALA 42 -12.677 8.291 5.579 321 H THR 43 H THR 43 -11.783 4.481 4.252 322 HA THR 43 HA THR 43 -14.222 2.777 3.992 323 HB THR 43 HB THR 43 -12.085 3.395 1.904 324 HG1 THR 43 1HG THR 43 -14.498 4.683 2.550 325 1HG2 THR 43 1HG2 THR 43 -14.867 2.168 1.739 326 2HG2 THR 43 2HG2 THR 43 -13.943 2.746 0.332 327 3HG2 THR 43 3HG2 THR 43 -13.324 1.399 1.292 328 H GLU 44 H GLU 44 -11.633 2.720 5.804 329 HA GLU 44 HA GLU 44 -9.927 1.320 6.356 330 1HB GLU 44 2HB GLU 44 -12.018 -0.801 5.712 331 2HB GLU 44 3HB GLU 44 -10.612 -0.974 6.769 332 1HG GLU 44 2HG GLU 44 -11.556 0.904 8.200 333 2HG GLU 44 3HG GLU 44 -13.031 0.824 7.225 334 H THR 45 H THR 45 -9.408 2.244 3.856 335 HA THR 45 HA THR 45 -8.179 -0.051 2.452 336 HB THR 45 HB THR 45 -10.244 1.934 1.352 337 HG1 THR 45 1HG THR 45 -11.119 0.056 2.285 338 1HG2 THR 45 1HG2 THR 45 -8.445 1.605 -0.390 339 2HG2 THR 45 2HG2 THR 45 -8.832 -0.134 -0.353 340 3HG2 THR 45 3HG2 THR 45 -10.052 1.030 -0.846 341 H VAL 46 H VAL 46 -6.476 0.600 1.093 342 HA VAL 46 HA VAL 46 -5.824 3.515 1.115 343 HB VAL 46 HB VAL 46 -4.497 2.602 2.876 344 1HG1 VAL 46 1HG1 VAL 46 -2.925 0.750 2.597 345 2HG1 VAL 46 2HG1 VAL 46 -4.567 0.186 2.268 346 3HG1 VAL 46 3HG1 VAL 46 -3.454 0.497 0.922 347 1HG2 VAL 46 1HG2 VAL 46 -2.704 2.758 0.427 348 2HG2 VAL 46 2HG2 VAL 46 -3.375 4.181 1.205 349 3HG2 VAL 46 3HG2 VAL 46 -2.296 3.136 2.123 350 H ASN 47 H ASN 47 -4.597 4.208 -0.722 351 HA ASN 47 HA ASN 47 -4.436 2.219 -2.879 352 1HB ASN 47 2HB ASN 47 -5.525 3.575 -4.472 353 2HB ASN 47 3HB ASN 47 -6.523 3.806 -3.047 354 1HD2 ASN 47 1HD2 ASN 47 -3.957 5.221 -5.108 355 2HD2 ASN 47 2HD2 ASN 47 -4.313 6.881 -4.672 356 H VAL 48 H VAL 48 -2.833 2.610 -4.436 357 HA VAL 48 HA VAL 48 -0.861 4.666 -3.823 358 HB VAL 48 HB VAL 48 -0.276 2.969 -2.178 359 1HG1 VAL 48 1HG1 VAL 48 -1.224 0.957 -3.247 360 2HG1 VAL 48 2HG1 VAL 48 0.043 1.033 -4.497 361 3HG1 VAL 48 3HG1 VAL 48 0.470 0.720 -2.805 362 1HG2 VAL 48 1HG2 VAL 48 2.055 2.560 -2.761 363 2HG2 VAL 48 2HG2 VAL 48 1.734 2.935 -4.462 364 3HG2 VAL 48 3HG2 VAL 48 1.586 4.199 -3.220 365 H ILE 49 H ILE 49 0.591 4.998 -5.463 366 HA ILE 49 HA ILE 49 -0.244 3.963 -8.116 367 HB ILE 49 HB ILE 49 0.827 6.675 -7.276 368 1HG1 ILE 49 2HG1 ILE 49 -1.883 6.460 -8.521 369 2HG1 ILE 49 3HG1 ILE 49 -1.788 5.847 -6.874 370 1HG2 ILE 49 1HG2 ILE 49 1.507 6.103 -9.575 371 2HG2 ILE 49 2HG2 ILE 49 -0.167 5.687 -9.988 372 3HG2 ILE 49 3HG2 ILE 49 0.269 7.365 -9.600 373 1HD1 ILE 49 1HD1 ILE 49 -0.842 8.605 -7.723 374 2HD1 ILE 49 2HD1 ILE 49 -2.381 8.230 -6.911 375 3HD1 ILE 49 3HD1 ILE 49 -0.846 7.942 -6.070 376 H TYR 50 H TYR 50 1.319 2.946 -9.259 377 HA TYR 50 HA TYR 50 4.152 3.462 -8.741 378 1HB TYR 50 2HB TYR 50 4.551 0.978 -8.351 379 2HB TYR 50 3HB TYR 50 3.876 1.837 -6.999 380 HD1 TYR 50 HD1 TYR 50 2.757 -0.192 -10.034 381 HD2 TYR 50 HD2 TYR 50 2.023 0.866 -5.916 382 HE1 TYR 50 HE1 TYR 50 0.986 -1.884 -9.922 383 HE2 TYR 50 HE2 TYR 50 0.415 -0.988 -5.752 384 HH TYR 50 HH TYR 50 -0.723 -2.659 -6.900 385 H ASP 51 H ASP 51 5.532 2.004 -10.105 386 HA ASP 51 HA ASP 51 4.277 1.838 -12.766 387 1HB ASP 51 2HB ASP 51 6.077 3.431 -12.255 388 2HB ASP 51 3HB ASP 51 7.179 2.109 -11.964 389 HA PRO 52 HA PRO 52 4.868 -2.673 -12.077 390 1HB PRO 52 2HB PRO 52 3.653 -3.611 -14.283 391 2HB PRO 52 3HB PRO 52 2.746 -2.854 -12.944 392 1HG PRO 52 2HG PRO 52 3.675 -1.532 -15.510 393 2HG PRO 52 3HG PRO 52 2.025 -1.522 -14.819 394 1HD PRO 52 2HD PRO 52 3.803 0.493 -14.431 395 2HD PRO 52 3HD PRO 52 2.669 0.016 -13.124 396 H ALA 53 H ALA 53 6.764 -0.672 -13.844 397 HA ALA 53 HA ALA 53 8.093 -2.733 -15.506 398 1HB ALA 53 1HB ALA 53 9.774 -0.998 -15.882 399 2HB ALA 53 2HB ALA 53 8.148 -0.344 -16.170 400 3HB ALA 53 3HB ALA 53 9.017 0.052 -14.669 401 H GLU 54 H GLU 54 8.498 -0.984 -12.474 402 HA GLU 54 HA GLU 54 10.709 -2.762 -11.542 403 1HB GLU 54 2HB GLU 54 9.615 -0.053 -10.637 404 2HB GLU 54 3HB GLU 54 10.849 -0.969 -9.795 405 1HG GLU 54 2HG GLU 54 12.217 -0.928 -11.955 406 2HG GLU 54 3HG GLU 54 11.040 0.249 -12.571 407 H THR 55 H THR 55 7.469 -1.621 -10.824 408 HA THR 55 HA THR 55 7.228 -3.218 -8.388 409 HB THR 55 HB THR 55 6.993 -0.288 -8.727 410 HG1 THR 55 1HG THR 55 9.053 -0.936 -8.054 411 1HG2 THR 55 1HG2 THR 55 6.213 -2.115 -6.398 412 2HG2 THR 55 2HG2 THR 55 6.574 -0.354 -6.243 413 3HG2 THR 55 3HG2 THR 55 5.243 -0.880 -7.280 414 H GLY 56 H GLY 56 5.421 -4.077 -7.795 415 1HA GLY 56 2HA GLY 56 3.191 -2.529 -7.718 416 2HA GLY 56 3HA GLY 56 2.844 -3.751 -8.974 417 H THR 57 H THR 57 1.370 -4.741 -7.721 418 HA THR 57 HA THR 57 1.266 -5.368 -5.105 419 HB THR 57 HB THR 57 -0.683 -5.608 -6.213 420 HG1 THR 57 1HG THR 57 -0.060 -8.349 -6.125 421 1HG2 THR 57 1HG2 THR 57 0.597 -7.407 -8.301 422 2HG2 THR 57 2HG2 THR 57 -1.147 -7.113 -8.132 423 3HG2 THR 57 3HG2 THR 57 -0.083 -5.776 -8.532 424 H ALA 58 H ALA 58 3.186 -7.211 -7.460 425 HA ALA 58 HA ALA 58 3.772 -9.474 -5.876 426 1HB ALA 58 1HB ALA 58 5.597 -7.943 -7.785 427 2HB ALA 58 2HB ALA 58 5.868 -9.586 -7.174 428 3HB ALA 58 3HB ALA 58 4.478 -9.253 -8.223 429 H ALA 59 H ALA 59 5.290 -6.205 -5.810 430 HA ALA 59 HA ALA 59 7.389 -7.113 -3.934 431 1HB ALA 59 1HB ALA 59 8.249 -4.845 -4.209 432 2HB ALA 59 2HB ALA 59 7.957 -5.553 -5.805 433 3HB ALA 59 3HB ALA 59 6.816 -4.363 -5.141 434 H ILE 60 H ILE 60 4.524 -5.108 -4.243 435 HA ILE 60 HA ILE 60 4.770 -3.823 -1.779 436 HB ILE 60 HB ILE 60 2.798 -4.052 -3.988 437 1HG1 ILE 60 2HG1 ILE 60 3.592 -1.697 -2.323 438 2HG1 ILE 60 3HG1 ILE 60 4.767 -2.376 -3.467 439 1HG2 ILE 60 1HG2 ILE 60 1.884 -3.211 -1.238 440 2HG2 ILE 60 2HG2 ILE 60 1.087 -2.701 -2.745 441 3HG2 ILE 60 3HG2 ILE 60 1.165 -4.409 -2.314 442 1HD1 ILE 60 1HD1 ILE 60 2.056 -1.239 -4.189 443 2HD1 ILE 60 2HD1 ILE 60 3.644 -0.509 -4.492 444 3HD1 ILE 60 3HD1 ILE 60 3.198 -2.012 -5.324 445 H GLN 61 H GLN 61 2.703 -6.714 -2.492 446 HA GLN 61 HA GLN 61 1.666 -6.877 0.164 447 1HB GLN 61 2HB GLN 61 2.114 -8.834 -2.060 448 2HB GLN 61 3HB GLN 61 1.735 -9.428 -0.433 449 1HG GLN 61 2HG GLN 61 -0.246 -9.192 -1.971 450 2HG GLN 61 3HG GLN 61 -0.361 -8.515 -0.353 451 1HE2 GLN 61 1HE2 GLN 61 0.860 -7.323 -3.568 452 2HE2 GLN 61 2HE2 GLN 61 -0.100 -5.849 -3.489 453 H GLU 62 H GLU 62 4.613 -8.309 -1.254 454 HA GLU 62 HA GLU 62 5.714 -9.613 0.914 455 1HB GLU 62 2HB GLU 62 6.561 -8.922 -1.620 456 2HB GLU 62 3HB GLU 62 7.617 -7.877 -0.682 457 1HG GLU 62 2HG GLU 62 7.322 -10.891 -0.302 458 2HG GLU 62 3HG GLU 62 8.532 -10.093 -1.319 459 H LYS 63 H LYS 63 6.284 -6.135 0.160 460 HA LYS 63 HA LYS 63 7.652 -5.864 2.699 461 1HB LYS 63 2HB LYS 63 7.384 -4.267 0.339 462 2HB LYS 63 3HB LYS 63 6.706 -3.321 1.667 463 1HG LYS 63 2HG LYS 63 9.055 -2.844 1.554 464 2HG LYS 63 3HG LYS 63 8.764 -3.813 3.004 465 1HD LYS 63 2HD LYS 63 9.403 -5.903 1.537 466 2HD LYS 63 3HD LYS 63 9.937 -4.773 0.326 467 1HE LYS 63 2HE LYS 63 10.947 -4.717 3.217 468 2HE LYS 63 3HE LYS 63 11.647 -5.789 1.999 469 1HZ LYS 63 1HZ LYS 63 12.852 -3.720 2.210 470 2HZ LYS 63 2HZ LYS 63 12.249 -3.917 0.694 471 3HZ LYS 63 3HZ LYS 63 11.529 -2.861 1.733 472 H ILE 64 H ILE 64 4.275 -5.381 1.723 473 HA ILE 64 HA ILE 64 3.491 -3.908 3.934 474 HB ILE 64 HB ILE 64 2.000 -5.843 2.152 475 1HG1 ILE 64 2HG1 ILE 64 2.865 -3.466 1.441 476 2HG1 ILE 64 3HG1 ILE 64 1.202 -3.952 1.059 477 1HG2 ILE 64 1HG2 ILE 64 -0.029 -4.769 3.213 478 2HG2 ILE 64 2HG2 ILE 64 0.784 -5.992 4.197 479 3HG2 ILE 64 3HG2 ILE 64 1.012 -4.252 4.543 480 1HD1 ILE 64 1HD1 ILE 64 0.355 -2.655 2.924 481 2HD1 ILE 64 2HD1 ILE 64 2.030 -2.335 3.478 482 3HD1 ILE 64 3HD1 ILE 64 1.417 -1.621 1.994 483 H GLU 65 H GLU 65 3.733 -7.521 3.495 484 HA GLU 65 HA GLU 65 2.855 -8.379 6.040 485 1HB GLU 65 2HB GLU 65 4.962 -9.336 4.116 486 2HB GLU 65 3HB GLU 65 4.815 -10.097 5.701 487 1HG GLU 65 2HG GLU 65 2.328 -9.756 4.019 488 2HG GLU 65 3HG GLU 65 3.491 -11.032 3.633 489 H LYS 66 H LYS 66 6.040 -6.987 5.125 490 HA LYS 66 HA LYS 66 7.154 -7.469 7.732 491 1HB LYS 66 2HB LYS 66 8.186 -7.360 5.361 492 2HB LYS 66 3HB LYS 66 8.293 -5.622 5.643 493 1HG LYS 66 2HG LYS 66 9.817 -5.882 7.440 494 2HG LYS 66 3HG LYS 66 9.348 -7.545 7.770 495 1HD LYS 66 2HD LYS 66 10.825 -6.680 5.262 496 2HD LYS 66 3HD LYS 66 11.594 -7.332 6.732 497 1HE LYS 66 2HE LYS 66 10.028 -9.390 6.438 498 2HE LYS 66 3HE LYS 66 9.684 -8.779 4.812 499 1HZ LYS 66 1HZ LYS 66 12.320 -9.567 5.814 500 2HZ LYS 66 2HZ LYS 66 11.370 -10.370 4.735 501 3HZ LYS 66 3HZ LYS 66 12.017 -8.925 4.320 502 H LEU 67 H LEU 67 5.610 -4.679 6.104 503 HA LEU 67 HA LEU 67 6.076 -2.755 8.139 504 1HB LEU 67 2HB LEU 67 3.896 -3.286 6.104 505 2HB LEU 67 3HB LEU 67 3.585 -2.133 7.360 506 HG LEU 67 HG LEU 67 4.315 -1.086 5.371 507 1HD1 LEU 67 1HD1 LEU 67 5.867 0.457 6.327 508 2HD1 LEU 67 2HD1 LEU 67 4.990 -0.224 7.709 509 3HD1 LEU 67 3HD1 LEU 67 6.628 -0.800 7.316 510 1HD2 LEU 67 1HD2 LEU 67 6.913 -2.616 5.512 511 2HD2 LEU 67 2HD2 LEU 67 5.666 -2.610 4.230 512 3HD2 LEU 67 3HD2 LEU 67 6.633 -1.170 4.524 513 H GLY 68 H GLY 68 4.223 -5.734 8.187 514 1HA GLY 68 2HA GLY 68 4.050 -6.829 10.245 515 2HA GLY 68 3HA GLY 68 3.833 -5.299 11.100 516 H TYR 69 H TYR 69 2.119 -6.164 8.048 517 HA TYR 69 HA TYR 69 -0.378 -6.738 9.524 518 1HB TYR 69 2HB TYR 69 -0.207 -4.496 7.475 519 2HB TYR 69 3HB TYR 69 -1.614 -4.985 8.410 520 HD1 TYR 69 HD1 TYR 69 -1.949 -4.119 10.667 521 HD2 TYR 69 HD2 TYR 69 1.716 -3.353 8.561 522 HE1 TYR 69 HE1 TYR 69 -1.470 -2.221 12.192 523 HE2 TYR 69 HE2 TYR 69 2.264 -1.547 10.146 524 HH TYR 69 HH TYR 69 -0.125 -0.355 12.531 525 H HIS 70 H HIS 70 -2.047 -7.429 7.835 526 HA HIS 70 HA HIS 70 -0.701 -8.497 5.418 527 1HB HIS 70 2HB HIS 70 -1.837 -10.366 5.457 528 2HB HIS 70 3HB HIS 70 -1.865 -10.146 7.194 529 HD1 HIS 70 1HD HIS 70 -4.142 -9.481 4.096 530 HD2 HIS 70 2HD HIS 70 -4.273 -9.834 8.291 531 HE1 HIS 70 1HE HIS 70 -6.571 -9.080 4.827 532 H VAL 71 H VAL 71 -1.642 -7.955 3.615 533 HA VAL 71 HA VAL 71 -4.041 -6.176 3.579 534 HB VAL 71 HB VAL 71 -2.041 -5.104 2.876 535 1HG1 VAL 71 1HG1 VAL 71 -0.717 -5.800 0.957 536 2HG1 VAL 71 2HG1 VAL 71 -0.643 -7.033 2.199 537 3HG1 VAL 71 3HG1 VAL 71 -1.730 -7.275 0.817 538 1HG2 VAL 71 1HG2 VAL 71 -2.576 -4.271 0.753 539 2HG2 VAL 71 2HG2 VAL 71 -3.708 -5.616 0.423 540 3HG2 VAL 71 3HG2 VAL 71 -4.036 -4.431 1.718 541 H VAL 72 H VAL 72 -5.597 -6.506 1.852 542 HA VAL 72 HA VAL 72 -5.615 -9.293 0.733 543 HB VAL 72 HB VAL 72 -8.227 -8.907 0.892 544 1HG1 VAL 72 1HG1 VAL 72 -7.481 -10.849 1.768 545 2HG1 VAL 72 2HG1 VAL 72 -6.324 -10.083 2.862 546 3HG1 VAL 72 3HG1 VAL 72 -8.074 -10.041 3.230 547 1HG2 VAL 72 1HG2 VAL 72 -8.986 -7.825 2.896 548 2HG2 VAL 72 2HG2 VAL 72 -7.337 -7.353 3.350 549 3HG2 VAL 72 3HG2 VAL 72 -8.100 -6.675 1.890 550 H ILE 73 H ILE 73 -6.156 -9.564 -1.286 551 HA ILE 73 HA ILE 73 -6.799 -7.201 -2.984 552 HB ILE 73 HB ILE 73 -5.720 -9.949 -3.738 553 1HG1 ILE 73 2HG1 ILE 73 -4.002 -8.907 -2.417 554 2HG1 ILE 73 3HG1 ILE 73 -3.552 -8.882 -4.115 555 1HG2 ILE 73 1HG2 ILE 73 -6.038 -7.371 -5.331 556 2HG2 ILE 73 2HG2 ILE 73 -5.165 -8.815 -5.886 557 3HG2 ILE 73 3HG2 ILE 73 -6.903 -8.895 -5.577 558 1HD1 ILE 73 1HD1 ILE 73 -2.964 -6.782 -3.070 559 2HD1 ILE 73 2HD1 ILE 73 -4.241 -6.473 -4.248 560 3HD1 ILE 73 3HD1 ILE 73 -4.621 -6.520 -2.508 561 H GLU 74 H GLU 74 -9.060 -7.119 -2.683 562 HA GLU 74 HA GLU 74 -10.695 -9.529 -2.864 563 1HB GLU 74 2HB GLU 74 -11.365 -7.394 -1.597 564 2HB GLU 74 3HB GLU 74 -11.599 -6.654 -3.191 565 1HG GLU 74 2HG GLU 74 -13.155 -8.714 -3.672 566 2HG GLU 74 3HG GLU 74 -13.054 -9.021 -1.934 567 H GLY 75 H GLY 75 -11.303 -10.444 -4.772 568 1HA GLY 75 2HA GLY 75 -10.459 -9.383 -7.355 569 2HA GLY 75 3HA GLY 75 -11.401 -10.850 -7.047 570 H ARG 76 H ARG 76 -11.691 -7.308 -6.799 571 HA ARG 76 HA ARG 76 -14.573 -7.261 -7.190 572 1HB ARG 76 2HB ARG 76 -12.486 -5.392 -6.436 573 2HB ARG 76 3HB ARG 76 -13.340 -4.739 -7.834 574 1HG ARG 76 2HG ARG 76 -15.507 -5.075 -6.655 575 2HG ARG 76 3HG ARG 76 -14.636 -5.732 -5.259 576 1HD ARG 76 2HD ARG 76 -15.139 -3.374 -4.813 577 2HD ARG 76 3HD ARG 76 -13.415 -3.638 -4.957 578 HE ARG 76 HE ARG 76 -13.297 -2.332 -6.834 579 1HH1 ARG 76 2HH2 ARG 76 -16.651 -3.197 -6.312 580 2HH1 ARG 76 1HH2 ARG 76 -17.324 -2.063 -7.447 581 1HH2 ARG 76 2HH1 ARG 76 -14.110 -0.821 -8.393 582 2HH2 ARG 76 1HH1 ARG 76 -15.815 -0.688 -8.679 Start of MODEL 27 1 1H MET 1 H1 MET 1 8.102 -1.240 -26.356 2 2H MET 1 H2 MET 1 7.069 -1.371 -27.661 3 3H MET 1 H3 MET 1 7.909 0.032 -27.355 4 HA MET 1 HA MET 1 5.787 0.484 -26.562 5 1HB MET 1 2HB MET 1 5.981 -2.382 -25.672 6 2HB MET 1 3HB MET 1 5.163 -1.286 -24.558 7 1HG MET 1 2HG MET 1 3.618 -0.553 -26.271 8 2HG MET 1 3HG MET 1 4.400 -1.587 -27.482 9 1HE MET 1 1HE MET 1 0.840 -3.172 -26.775 10 2HE MET 1 2HE MET 1 1.235 -1.444 -26.639 11 3HE MET 1 3HE MET 1 1.877 -2.401 -27.999 12 H LEU 2 H LEU 2 5.327 1.285 -24.277 13 HA LEU 2 HA LEU 2 7.779 1.518 -22.597 14 1HB LEU 2 2HB LEU 2 5.720 3.628 -23.403 15 2HB LEU 2 3HB LEU 2 6.663 3.725 -21.919 16 HG LEU 2 HG LEU 2 8.779 3.682 -23.247 17 1HD1 LEU 2 1HD1 LEU 2 8.592 4.414 -25.659 18 2HD1 LEU 2 2HD1 LEU 2 8.121 2.742 -25.394 19 3HD1 LEU 2 3HD1 LEU 2 6.869 3.989 -25.614 20 1HD2 LEU 2 1HD2 LEU 2 7.762 5.759 -22.372 21 2HD2 LEU 2 2HD2 LEU 2 8.582 6.046 -23.915 22 3HD2 LEU 2 3HD2 LEU 2 6.809 5.926 -23.863 23 H SER 3 H SER 3 7.301 1.314 -20.358 24 HA SER 3 HA SER 3 4.871 0.011 -19.562 25 1HB SER 3 2HB SER 3 6.944 1.440 -17.835 26 2HB SER 3 3HB SER 3 5.884 0.115 -17.345 27 HG SER 3 HG SER 3 6.988 -1.215 -18.867 28 H GLU 4 H GLU 4 3.316 0.943 -17.927 29 HA GLU 4 HA GLU 4 3.111 3.867 -17.881 30 1HB GLU 4 2HB GLU 4 1.571 2.466 -19.644 31 2HB GLU 4 3HB GLU 4 0.616 2.197 -18.176 32 1HG GLU 4 2HG GLU 4 0.870 4.775 -17.840 33 2HG GLU 4 3HG GLU 4 1.406 4.769 -19.533 34 H GLN 5 H GLN 5 2.618 4.508 -15.852 35 HA GLN 5 HA GLN 5 2.378 2.494 -13.729 36 1HB GLN 5 2HB GLN 5 2.702 4.343 -12.217 37 2HB GLN 5 3HB GLN 5 3.920 4.411 -13.508 38 1HG GLN 5 2HG GLN 5 2.391 6.142 -14.663 39 2HG GLN 5 3HG GLN 5 1.409 6.139 -13.191 40 1HE2 GLN 5 1HE2 GLN 5 3.992 5.700 -11.542 41 2HE2 GLN 5 2HE2 GLN 5 4.698 7.281 -11.502 42 H LYS 6 H LYS 6 0.756 2.714 -11.976 43 HA LYS 6 HA LYS 6 -1.663 4.182 -12.582 44 1HB LYS 6 2HB LYS 6 -1.516 1.253 -13.299 45 2HB LYS 6 3HB LYS 6 -2.953 1.782 -12.427 46 1HG LYS 6 2HG LYS 6 -3.193 3.687 -14.115 47 2HG LYS 6 3HG LYS 6 -1.962 2.835 -15.069 48 1HD LYS 6 2HD LYS 6 -3.445 0.820 -15.127 49 2HD LYS 6 3HD LYS 6 -4.659 1.737 -14.225 50 1HE LYS 6 2HE LYS 6 -5.212 1.821 -16.590 51 2HE LYS 6 3HE LYS 6 -4.777 3.441 -16.034 52 1HZ LYS 6 1HZ LYS 6 -2.949 1.635 -17.523 53 2HZ LYS 6 2HZ LYS 6 -3.801 2.853 -18.194 54 3HZ LYS 6 3HZ LYS 6 -2.610 3.188 -17.210 55 H GLU 7 H GLU 7 -3.404 3.637 -11.078 56 HA GLU 7 HA GLU 7 -2.449 3.547 -8.311 57 1HB GLU 7 2HB GLU 7 -5.043 4.000 -8.059 58 2HB GLU 7 3HB GLU 7 -3.940 5.300 -8.489 59 1HG GLU 7 2HG GLU 7 -4.566 5.176 -10.839 60 2HG GLU 7 3HG GLU 7 -5.597 3.754 -10.510 61 H ILE 8 H ILE 8 -2.737 1.829 -7.014 62 HA ILE 8 HA ILE 8 -4.824 -0.187 -7.692 63 HB ILE 8 HB ILE 8 -2.028 -0.651 -7.184 64 1HG1 ILE 8 2HG1 ILE 8 -2.756 -3.081 -7.359 65 2HG1 ILE 8 3HG1 ILE 8 -4.421 -2.510 -7.475 66 1HG2 ILE 8 1HG2 ILE 8 -3.727 -1.841 -4.980 67 2HG2 ILE 8 2HG2 ILE 8 -2.031 -2.198 -5.316 68 3HG2 ILE 8 3HG2 ILE 8 -2.475 -0.586 -4.770 69 1HD1 ILE 8 1HD1 ILE 8 -3.299 -2.963 -9.680 70 2HD1 ILE 8 2HD1 ILE 8 -3.869 -1.291 -9.545 71 3HD1 ILE 8 3HD1 ILE 8 -2.140 -1.663 -9.333 72 H ALA 9 H ALA 9 -6.083 -0.773 -5.904 73 HA ALA 9 HA ALA 9 -5.863 0.848 -3.431 74 1HB ALA 9 1HB ALA 9 -8.292 1.223 -3.451 75 2HB ALA 9 2HB ALA 9 -7.539 1.986 -4.866 76 3HB ALA 9 3HB ALA 9 -8.414 0.450 -5.046 77 H MET 10 H MET 10 -6.116 -0.440 -1.610 78 HA MET 10 HA MET 10 -7.613 -2.925 -1.854 79 1HB MET 10 2HB MET 10 -5.520 -4.260 -1.051 80 2HB MET 10 3HB MET 10 -5.758 -3.877 -2.758 81 1HG MET 10 2HG MET 10 -3.439 -3.508 -2.032 82 2HG MET 10 3HG MET 10 -4.256 -2.131 -2.724 83 1HE MET 10 1HE MET 10 -1.647 -0.789 0.071 84 2HE MET 10 2HE MET 10 -1.467 -2.172 -1.025 85 3HE MET 10 3HE MET 10 -2.069 -0.610 -1.648 86 H GLN 11 H GLN 11 -7.128 -4.316 0.265 87 HA GLN 11 HA GLN 11 -8.241 -2.475 2.311 88 1HB GLN 11 2HB GLN 11 -8.875 -5.433 2.153 89 2HB GLN 11 3HB GLN 11 -9.737 -4.114 2.910 90 1HG GLN 11 2HG GLN 11 -11.124 -4.468 1.166 91 2HG GLN 11 3HG GLN 11 -10.063 -3.328 0.345 92 1HE2 GLN 11 1HE2 GLN 11 -8.239 -4.442 -0.923 93 2HE2 GLN 11 2HE2 GLN 11 -8.432 -5.957 -1.659 94 H VAL 12 H VAL 12 -6.355 -2.102 3.491 95 HA VAL 12 HA VAL 12 -4.669 -4.433 4.175 96 HB VAL 12 HB VAL 12 -4.114 -1.663 5.176 97 1HG1 VAL 12 1HG1 VAL 12 -2.434 -4.067 4.520 98 2HG1 VAL 12 2HG1 VAL 12 -1.864 -2.508 5.129 99 3HG1 VAL 12 3HG1 VAL 12 -2.908 -3.508 6.153 100 1HG2 VAL 12 1HG2 VAL 12 -4.274 -1.495 2.657 101 2HG2 VAL 12 2HG2 VAL 12 -2.608 -1.342 3.265 102 3HG2 VAL 12 3HG2 VAL 12 -3.164 -2.869 2.542 103 H SER 13 H SER 13 -4.529 -5.257 6.195 104 HA SER 13 HA SER 13 -6.851 -4.740 7.941 105 1HB SER 13 2HB SER 13 -5.971 -6.961 7.195 106 2HB SER 13 3HB SER 13 -4.592 -6.756 8.282 107 HG SER 13 HG SER 13 -6.500 -7.877 9.195 108 H GLY 14 H GLY 14 -6.553 -4.304 10.241 109 1HA GLY 14 2HA GLY 14 -5.617 -3.269 12.075 110 2HA GLY 14 3HA GLY 14 -4.039 -3.701 11.408 111 H MET 15 H MET 15 -6.737 -1.291 10.904 112 HA MET 15 HA MET 15 -4.802 0.887 10.661 113 1HB MET 15 2HB MET 15 -6.113 1.686 8.686 114 2HB MET 15 3HB MET 15 -5.122 0.246 8.367 115 1HG MET 15 2HG MET 15 -7.067 -1.176 8.545 116 2HG MET 15 3HG MET 15 -8.076 0.162 9.077 117 1HE MET 15 1HE MET 15 -5.693 -0.674 6.208 118 2HE MET 15 2HE MET 15 -6.525 -0.023 4.767 119 3HE MET 15 3HE MET 15 -5.729 1.074 5.912 120 H THR 16 H THR 16 -6.356 2.940 10.338 121 HA THR 16 HA THR 16 -7.574 4.389 11.617 122 HB THR 16 HB THR 16 -9.623 2.165 11.949 123 HG1 THR 16 1HG THR 16 -10.233 2.587 9.804 124 1HG2 THR 16 1HG2 THR 16 -11.212 3.996 11.486 125 2HG2 THR 16 2HG2 THR 16 -10.167 4.443 12.845 126 3HG2 THR 16 3HG2 THR 16 -9.870 5.130 11.231 127 H CYS 17 H CYS 17 -5.560 3.028 12.890 128 HA CYS 17 HA CYS 17 -6.586 2.410 15.626 129 1HB CYS 17 2HB CYS 17 -5.790 0.458 14.274 130 2HB CYS 17 3HB CYS 17 -4.195 1.217 14.168 131 HG CYS 17 HG CYS 17 -4.188 -0.623 16.050 132 H ALA 18 H ALA 18 -3.376 3.200 14.120 133 HA ALA 18 HA ALA 18 -3.362 5.817 15.421 134 1HB ALA 18 1HB ALA 18 -2.642 4.444 17.311 135 2HB ALA 18 2HB ALA 18 -1.388 3.676 16.315 136 3HB ALA 18 3HB ALA 18 -1.289 5.409 16.702 137 H ALA 19 H ALA 19 -3.310 6.332 13.142 138 HA ALA 19 HA ALA 19 -2.339 6.910 11.164 139 1HB ALA 19 1HB ALA 19 -0.090 7.844 11.292 140 2HB ALA 19 2HB ALA 19 -0.999 8.277 12.752 141 3HB ALA 19 3HB ALA 19 0.224 6.989 12.814 142 H CYS 20 H CYS 20 -2.586 4.110 11.656 143 HA CYS 20 HA CYS 20 -0.090 2.745 11.189 144 1HB CYS 20 2HB CYS 20 -2.949 1.744 11.296 145 2HB CYS 20 3HB CYS 20 -1.551 0.691 10.989 146 HG CYS 20 HG CYS 20 -1.995 0.311 13.394 147 H ALA 21 H ALA 21 -3.079 2.741 9.186 148 HA ALA 21 HA ALA 21 -2.082 1.699 6.827 149 1HB ALA 21 1HB ALA 21 -4.076 3.947 7.095 150 2HB ALA 21 2HB ALA 21 -3.894 2.821 5.718 151 3HB ALA 21 3HB ALA 21 -4.415 2.218 7.300 152 H ALA 22 H ALA 22 -1.914 5.044 7.933 153 HA ALA 22 HA ALA 22 -0.707 6.155 5.619 154 1HB ALA 22 1HB ALA 22 -0.654 6.838 8.612 155 2HB ALA 22 2HB ALA 22 0.053 7.907 7.365 156 3HB ALA 22 3HB ALA 22 -1.691 7.546 7.371 157 H ARG 23 H ARG 23 0.882 4.887 8.649 158 HA ARG 23 HA ARG 23 3.546 5.240 7.609 159 1HB ARG 23 2HB ARG 23 2.457 3.421 9.784 160 2HB ARG 23 3HB ARG 23 4.173 3.567 9.361 161 1HG ARG 23 2HG ARG 23 4.053 6.039 9.779 162 2HG ARG 23 3HG ARG 23 2.383 5.832 10.330 163 1HD ARG 23 2HD ARG 23 3.258 4.149 12.030 164 2HD ARG 23 3HD ARG 23 4.902 4.611 11.513 165 HE ARG 23 HE ARG 23 3.218 6.871 12.262 166 1HH1 ARG 23 2HH2 ARG 23 5.284 4.339 13.582 167 2HH1 ARG 23 1HH2 ARG 23 5.666 5.178 15.052 168 1HH2 ARG 23 2HH1 ARG 23 3.657 8.007 14.229 169 2HH2 ARG 23 1HH1 ARG 23 4.693 7.313 15.431 170 H ILE 24 H ILE 24 1.368 2.420 7.643 171 HA ILE 24 HA ILE 24 2.898 0.443 6.453 172 HB ILE 24 HB ILE 24 -0.022 1.189 6.089 173 1HG1 ILE 24 2HG1 ILE 24 1.291 -1.038 7.657 174 2HG1 ILE 24 3HG1 ILE 24 0.692 0.434 8.383 175 1HG2 ILE 24 1HG2 ILE 24 -0.485 -0.886 5.081 176 2HG2 ILE 24 2HG2 ILE 24 0.785 -0.191 4.115 177 3HG2 ILE 24 3HG2 ILE 24 1.185 -1.460 5.305 178 1HD1 ILE 24 1HD1 ILE 24 -1.658 -0.272 7.348 179 2HD1 ILE 24 2HD1 ILE 24 -0.899 -1.855 7.210 180 3HD1 ILE 24 3HD1 ILE 24 -1.072 -1.074 8.785 181 H GLU 25 H GLU 25 0.795 2.820 4.725 182 HA GLU 25 HA GLU 25 1.810 1.938 2.252 183 1HB GLU 25 2HB GLU 25 -0.388 3.411 3.021 184 2HB GLU 25 3HB GLU 25 0.632 4.693 2.405 185 1HG GLU 25 2HG GLU 25 -0.663 3.859 0.506 186 2HG GLU 25 3HG GLU 25 0.998 3.319 0.285 187 H LYS 26 H LYS 26 2.693 4.730 4.350 188 HA LYS 26 HA LYS 26 4.400 6.032 2.520 189 1HB LYS 26 2HB LYS 26 4.172 5.858 5.521 190 2HB LYS 26 3HB LYS 26 5.544 6.667 4.821 191 1HG LYS 26 2HG LYS 26 2.699 7.391 3.951 192 2HG LYS 26 3HG LYS 26 3.449 8.076 5.397 193 1HD LYS 26 2HD LYS 26 5.451 8.779 3.947 194 2HD LYS 26 3HD LYS 26 4.549 8.226 2.542 195 1HE LYS 26 2HE LYS 26 4.262 10.601 2.664 196 2HE LYS 26 3HE LYS 26 2.717 9.884 3.141 197 1HZ LYS 26 1HZ LYS 26 4.781 10.933 4.982 198 2HZ LYS 26 2HZ LYS 26 3.382 11.689 4.580 199 3HZ LYS 26 3HZ LYS 26 3.337 10.293 5.441 200 H GLY 27 H GLY 27 4.887 3.158 4.550 201 1HA GLY 27 2HA GLY 27 7.626 2.652 3.994 202 2HA GLY 27 3HA GLY 27 6.367 1.434 4.227 203 H LEU 28 H LEU 28 4.625 1.815 2.029 204 HA LEU 28 HA LEU 28 6.222 0.725 -0.105 205 1HB LEU 28 2HB LEU 28 3.387 1.770 -0.113 206 2HB LEU 28 3HB LEU 28 4.173 0.926 -1.448 207 HG LEU 28 HG LEU 28 3.751 -0.250 1.318 208 1HD1 LEU 28 1HD1 LEU 28 2.084 -1.634 -0.058 209 2HD1 LEU 28 2HD1 LEU 28 1.688 0.045 0.345 210 3HD1 LEU 28 3HD1 LEU 28 2.222 -0.371 -1.291 211 1HD2 LEU 28 1HD2 LEU 28 5.117 -1.344 -1.177 212 2HD2 LEU 28 2HD2 LEU 28 5.624 -1.407 0.507 213 3HD2 LEU 28 3HD2 LEU 28 4.289 -2.420 -0.035 214 H LYS 29 H LYS 29 5.193 4.049 0.645 215 HA LYS 29 HA LYS 29 6.044 5.101 -1.875 216 1HB LYS 29 2HB LYS 29 4.634 6.419 -0.659 217 2HB LYS 29 3HB LYS 29 5.666 6.493 0.758 218 1HG LYS 29 2HG LYS 29 7.332 7.803 -0.370 219 2HG LYS 29 3HG LYS 29 6.553 7.574 -1.935 220 1HD LYS 29 2HD LYS 29 5.444 9.206 0.398 221 2HD LYS 29 3HD LYS 29 6.206 9.816 -1.083 222 1HE LYS 29 2HE LYS 29 4.350 8.313 -2.255 223 2HE LYS 29 3HE LYS 29 3.487 8.536 -0.728 224 1HZ LYS 29 1HZ LYS 29 3.703 10.958 -1.104 225 2HZ LYS 29 2HZ LYS 29 4.368 10.651 -2.589 226 3HZ LYS 29 3HZ LYS 29 2.838 10.210 -2.256 227 H ARG 30 H ARG 30 7.986 3.659 0.575 228 HA ARG 30 HA ARG 30 10.498 4.775 -0.582 229 1HB ARG 30 2HB ARG 30 9.817 3.051 1.771 230 2HB ARG 30 3HB ARG 30 11.273 2.640 0.916 231 1HG ARG 30 2HG ARG 30 11.881 4.062 2.650 232 2HG ARG 30 3HG ARG 30 12.067 5.020 1.183 233 1HD ARG 30 2HD ARG 30 9.557 5.105 2.942 234 2HD ARG 30 3HD ARG 30 11.006 6.098 3.244 235 HE ARG 30 HE ARG 30 9.972 6.309 0.516 236 1HH1 ARG 30 2HH2 ARG 30 9.403 7.433 3.774 237 2HH1 ARG 30 1HH2 ARG 30 9.126 9.100 3.365 238 1HH2 ARG 30 2HH1 ARG 30 9.650 8.506 -0.126 239 2HH2 ARG 30 1HH1 ARG 30 9.207 9.712 1.043 240 H MET 31 H MET 31 8.309 2.231 -1.506 241 HA MET 31 HA MET 31 10.347 0.360 -2.198 242 1HB MET 31 2HB MET 31 7.517 0.358 -1.995 243 2HB MET 31 3HB MET 31 7.846 -0.098 -3.658 244 1HG MET 31 2HG MET 31 9.284 -1.412 -1.328 245 2HG MET 31 3HG MET 31 7.644 -1.879 -1.766 246 1HE MET 31 1HE MET 31 8.703 -4.316 -1.774 247 2HE MET 31 2HE MET 31 9.922 -4.854 -2.957 248 3HE MET 31 3HE MET 31 10.388 -3.724 -1.675 249 HA PRO 32 HA PRO 32 11.697 2.392 -5.927 250 1HB PRO 32 2HB PRO 32 12.959 0.323 -7.251 251 2HB PRO 32 3HB PRO 32 13.638 1.175 -5.835 252 1HG PRO 32 2HG PRO 32 12.071 -1.419 -5.845 253 2HG PRO 32 3HG PRO 32 13.642 -1.099 -5.053 254 1HD PRO 32 2HD PRO 32 11.385 -0.968 -3.639 255 2HD PRO 32 3HD PRO 32 12.596 0.319 -3.410 256 H GLY 33 H GLY 33 9.784 2.937 -6.964 257 1HA GLY 33 2HA GLY 33 9.209 2.775 -9.360 258 2HA GLY 33 3HA GLY 33 8.739 1.125 -9.095 259 H VAL 34 H VAL 34 7.987 2.623 -6.195 260 HA VAL 34 HA VAL 34 5.241 3.265 -6.745 261 HB VAL 34 HB VAL 34 6.332 2.569 -4.560 262 1HG1 VAL 34 1HG1 VAL 34 7.618 4.078 -3.325 263 2HG1 VAL 34 2HG1 VAL 34 8.172 4.424 -4.948 264 3HG1 VAL 34 3HG1 VAL 34 7.001 5.506 -4.185 265 1HG2 VAL 34 1HG2 VAL 34 4.754 3.761 -3.202 266 2HG2 VAL 34 2HG2 VAL 34 4.638 5.095 -4.360 267 3HG2 VAL 34 3HG2 VAL 34 4.009 3.488 -4.773 268 H THR 35 H THR 35 4.250 5.320 -6.680 269 HA THR 35 HA THR 35 6.006 7.685 -7.121 270 HB THR 35 HB THR 35 3.352 8.102 -8.230 271 HG1 THR 35 1HG THR 35 4.814 5.850 -9.133 272 1HG2 THR 35 1HG2 THR 35 4.618 8.770 -10.178 273 2HG2 THR 35 2HG2 THR 35 5.484 9.344 -8.753 274 3HG2 THR 35 3HG2 THR 35 6.072 7.901 -9.612 275 H ASP 36 H ASP 36 2.690 6.684 -6.020 276 HA ASP 36 HA ASP 36 2.998 8.629 -3.834 277 1HB ASP 36 2HB ASP 36 1.903 9.969 -5.558 278 2HB ASP 36 3HB ASP 36 0.619 8.746 -5.693 279 H ALA 37 H ALA 37 1.439 8.410 -2.134 280 HA ALA 37 HA ALA 37 0.002 5.816 -1.937 281 1HB ALA 37 1HB ALA 37 1.924 7.001 0.118 282 2HB ALA 37 2HB ALA 37 0.765 5.714 0.434 283 3HB ALA 37 3HB ALA 37 2.086 5.438 -0.724 284 H ASN 38 H ASN 38 -2.080 6.221 -1.235 285 HA ASN 38 HA ASN 38 -2.716 8.727 0.213 286 1HB ASN 38 2HB ASN 38 -3.218 8.234 -2.628 287 2HB ASN 38 3HB ASN 38 -4.742 8.335 -1.752 288 1HD2 ASN 38 1HD2 ASN 38 -1.941 10.230 -2.899 289 2HD2 ASN 38 2HD2 ASN 38 -2.593 11.736 -2.299 290 H VAL 39 H VAL 39 -3.635 7.995 2.013 291 HA VAL 39 HA VAL 39 -4.903 5.408 2.192 292 HB VAL 39 HB VAL 39 -3.412 6.532 3.871 293 1HG1 VAL 39 1HG1 VAL 39 -4.296 8.137 5.436 294 2HG1 VAL 39 2HG1 VAL 39 -4.488 8.809 3.811 295 3HG1 VAL 39 3HG1 VAL 39 -5.887 8.123 4.662 296 1HG2 VAL 39 1HG2 VAL 39 -4.633 4.587 4.519 297 2HG2 VAL 39 2HG2 VAL 39 -4.679 5.757 5.852 298 3HG2 VAL 39 3HG2 VAL 39 -6.107 5.520 4.824 299 H ASN 40 H ASN 40 -7.156 4.849 2.753 300 HA ASN 40 HA ASN 40 -9.120 7.043 2.701 301 1HB ASN 40 2HB ASN 40 -8.750 4.934 0.581 302 2HB ASN 40 3HB ASN 40 -10.401 5.214 1.134 303 1HD2 ASN 40 1HD2 ASN 40 -8.627 6.047 -1.371 304 2HD2 ASN 40 2HD2 ASN 40 -9.217 7.680 -1.623 305 H LEU 41 H LEU 41 -8.631 6.339 4.961 306 HA LEU 41 HA LEU 41 -9.688 3.866 5.947 307 1HB LEU 41 2HB LEU 41 -9.485 6.567 7.345 308 2HB LEU 41 3HB LEU 41 -9.775 5.002 8.109 309 HG LEU 41 HG LEU 41 -7.250 5.938 6.695 310 1HD1 LEU 41 1HD1 LEU 41 -7.800 4.957 9.507 311 2HD1 LEU 41 2HD1 LEU 41 -6.220 5.480 8.896 312 3HD1 LEU 41 3HD1 LEU 41 -7.549 6.654 9.041 313 1HD2 LEU 41 1HD2 LEU 41 -6.335 3.660 7.374 314 2HD2 LEU 41 2HD2 LEU 41 -8.001 3.144 7.676 315 3HD2 LEU 41 3HD2 LEU 41 -7.475 3.595 6.034 316 H ALA 42 H ALA 42 -11.308 6.516 4.583 317 HA ALA 42 HA ALA 42 -13.873 6.369 5.851 318 1HB ALA 42 1HB ALA 42 -13.160 8.220 4.351 319 2HB ALA 42 2HB ALA 42 -13.049 7.077 2.992 320 3HB ALA 42 3HB ALA 42 -14.624 7.425 3.738 321 H THR 43 H THR 43 -12.086 4.103 3.911 322 HA THR 43 HA THR 43 -14.470 2.358 3.790 323 HB THR 43 HB THR 43 -12.603 2.901 1.427 324 HG1 THR 43 1HG THR 43 -14.943 4.162 2.283 325 1HG2 THR 43 1HG2 THR 43 -15.310 1.531 1.637 326 2HG2 THR 43 2HG2 THR 43 -14.496 1.961 0.113 327 3HG2 THR 43 3HG2 THR 43 -13.764 0.764 1.191 328 H GLU 44 H GLU 44 -12.060 2.554 5.545 329 HA GLU 44 HA GLU 44 -10.144 1.510 6.105 330 1HB GLU 44 2HB GLU 44 -12.080 -0.826 5.847 331 2HB GLU 44 3HB GLU 44 -10.566 -0.841 6.751 332 1HG GLU 44 2HG GLU 44 -12.010 -0.321 8.457 333 2HG GLU 44 3HG GLU 44 -11.597 1.321 7.947 334 H THR 45 H THR 45 -9.377 2.171 3.800 335 HA THR 45 HA THR 45 -8.011 -0.118 2.574 336 HB THR 45 HB THR 45 -10.388 1.421 1.443 337 HG1 THR 45 1HG THR 45 -10.507 -0.734 2.254 338 1HG2 THR 45 1HG2 THR 45 -9.950 0.779 -0.842 339 2HG2 THR 45 2HG2 THR 45 -8.760 1.955 -0.270 340 3HG2 THR 45 3HG2 THR 45 -8.323 0.243 -0.435 341 H VAL 46 H VAL 46 -6.337 0.615 1.118 342 HA VAL 46 HA VAL 46 -5.971 3.568 1.026 343 HB VAL 46 HB VAL 46 -4.625 3.087 2.852 344 1HG1 VAL 46 1HG1 VAL 46 -3.590 0.610 1.454 345 2HG1 VAL 46 2HG1 VAL 46 -2.951 1.275 2.973 346 3HG1 VAL 46 3HG1 VAL 46 -4.613 0.694 2.918 347 1HG2 VAL 46 1HG2 VAL 46 -3.406 4.361 1.041 348 2HG2 VAL 46 2HG2 VAL 46 -2.374 3.459 2.138 349 3HG2 VAL 46 3HG2 VAL 46 -2.722 2.825 0.509 350 H ASN 47 H ASN 47 -4.619 4.304 -0.684 351 HA ASN 47 HA ASN 47 -4.588 2.455 -2.990 352 1HB ASN 47 2HB ASN 47 -6.436 4.080 -3.156 353 2HB ASN 47 3HB ASN 47 -5.311 5.417 -2.878 354 1HD2 ASN 47 1HD2 ASN 47 -3.646 5.865 -4.586 355 2HD2 ASN 47 2HD2 ASN 47 -4.037 5.387 -6.228 356 H VAL 48 H VAL 48 -2.815 2.644 -4.383 357 HA VAL 48 HA VAL 48 -0.756 4.626 -3.759 358 HB VAL 48 HB VAL 48 -0.217 2.858 -2.228 359 1HG1 VAL 48 1HG1 VAL 48 -1.332 0.953 -3.286 360 2HG1 VAL 48 2HG1 VAL 48 -0.158 0.966 -4.620 361 3HG1 VAL 48 3HG1 VAL 48 0.360 0.571 -2.964 362 1HG2 VAL 48 1HG2 VAL 48 1.733 3.908 -3.099 363 2HG2 VAL 48 2HG2 VAL 48 2.061 2.186 -3.003 364 3HG2 VAL 48 3HG2 VAL 48 1.701 2.916 -4.578 365 H ILE 49 H ILE 49 0.358 5.242 -5.503 366 HA ILE 49 HA ILE 49 -0.347 4.060 -8.130 367 HB ILE 49 HB ILE 49 0.885 6.753 -7.458 368 1HG1 ILE 49 2HG1 ILE 49 -1.866 6.034 -8.553 369 2HG1 ILE 49 3HG1 ILE 49 -1.561 6.519 -6.877 370 1HG2 ILE 49 1HG2 ILE 49 0.707 7.234 -9.851 371 2HG2 ILE 49 2HG2 ILE 49 1.621 5.746 -9.684 372 3HG2 ILE 49 3HG2 ILE 49 -0.081 5.671 -10.153 373 1HD1 ILE 49 1HD1 ILE 49 -0.716 8.726 -7.708 374 2HD1 ILE 49 2HD1 ILE 49 -1.218 8.257 -9.352 375 3HD1 ILE 49 3HD1 ILE 49 -2.423 8.408 -8.071 376 H TYR 50 H TYR 50 1.187 2.879 -9.168 377 HA TYR 50 HA TYR 50 4.023 3.360 -8.666 378 1HB TYR 50 2HB TYR 50 4.428 0.937 -8.216 379 2HB TYR 50 3HB TYR 50 3.755 1.782 -6.878 380 HD1 TYR 50 HD1 TYR 50 1.993 0.661 -5.736 381 HD2 TYR 50 HD2 TYR 50 2.704 -0.314 -9.880 382 HE1 TYR 50 HE1 TYR 50 0.423 -1.242 -5.578 383 HE2 TYR 50 HE2 TYR 50 0.993 -2.064 -9.765 384 HH TYR 50 HH TYR 50 -0.633 -2.960 -6.746 385 H ASP 51 H ASP 51 5.377 1.806 -10.044 386 HA ASP 51 HA ASP 51 4.112 1.754 -12.701 387 1HB ASP 51 2HB ASP 51 6.052 3.204 -12.221 388 2HB ASP 51 3HB ASP 51 7.041 1.766 -11.981 389 HA PRO 52 HA PRO 52 4.406 -2.772 -12.289 390 1HB PRO 52 2HB PRO 52 3.158 -3.529 -14.540 391 2HB PRO 52 3HB PRO 52 2.295 -2.648 -13.251 392 1HG PRO 52 2HG PRO 52 3.560 -1.455 -15.741 393 2HG PRO 52 3HG PRO 52 1.871 -1.256 -15.183 394 1HD PRO 52 2HD PRO 52 3.834 0.545 -14.591 395 2HD PRO 52 3HD PRO 52 2.534 0.159 -13.410 396 H ALA 53 H ALA 53 6.693 -1.053 -13.519 397 HA ALA 53 HA ALA 53 7.895 -3.150 -15.298 398 1HB ALA 53 1HB ALA 53 9.678 -1.531 -15.650 399 2HB ALA 53 2HB ALA 53 8.108 -0.792 -16.019 400 3HB ALA 53 3HB ALA 53 8.939 -0.400 -14.501 401 H GLU 54 H GLU 54 8.391 -1.259 -12.347 402 HA GLU 54 HA GLU 54 10.344 -3.211 -11.233 403 1HB GLU 54 2HB GLU 54 9.502 -0.361 -10.528 404 2HB GLU 54 3HB GLU 54 10.556 -1.340 -9.531 405 1HG GLU 54 2HG GLU 54 12.038 -1.593 -11.659 406 2HG GLU 54 3HG GLU 54 11.064 -0.271 -12.330 407 H THR 55 H THR 55 7.286 -1.509 -10.468 408 HA THR 55 HA THR 55 7.023 -2.988 -7.945 409 HB THR 55 HB THR 55 5.898 -0.393 -8.816 410 HG1 THR 55 1HG THR 55 8.133 -1.052 -7.214 411 1HG2 THR 55 1HG2 THR 55 5.697 -0.017 -6.391 412 2HG2 THR 55 2HG2 THR 55 4.651 -1.319 -6.997 413 3HG2 THR 55 3HG2 THR 55 6.155 -1.730 -6.097 414 H GLY 56 H GLY 56 5.288 -4.268 -7.483 415 1HA GLY 56 2HA GLY 56 2.738 -3.431 -8.415 416 2HA GLY 56 3HA GLY 56 3.164 -5.026 -9.073 417 H THR 57 H THR 57 1.115 -4.983 -7.526 418 HA THR 57 HA THR 57 0.930 -5.267 -4.880 419 HB THR 57 HB THR 57 -0.874 -5.695 -6.262 420 HG1 THR 57 1HG THR 57 -0.304 -8.077 -4.837 421 1HG2 THR 57 1HG2 THR 57 -1.236 -7.750 -7.533 422 2HG2 THR 57 2HG2 THR 57 0.083 -6.792 -8.209 423 3HG2 THR 57 3HG2 THR 57 0.438 -8.257 -7.259 424 H ALA 58 H ALA 58 2.530 -7.729 -6.948 425 HA ALA 58 HA ALA 58 3.366 -9.643 -5.181 426 1HB ALA 58 1HB ALA 58 4.980 -8.271 -7.383 427 2HB ALA 58 2HB ALA 58 5.359 -9.856 -6.668 428 3HB ALA 58 3HB ALA 58 3.860 -9.636 -7.591 429 H ALA 59 H ALA 59 5.018 -6.473 -5.642 430 HA ALA 59 HA ALA 59 7.205 -7.199 -3.783 431 1HB ALA 59 1HB ALA 59 6.634 -4.621 -5.330 432 2HB ALA 59 2HB ALA 59 8.122 -5.054 -4.468 433 3HB ALA 59 3HB ALA 59 7.661 -5.947 -5.922 434 H ILE 60 H ILE 60 4.320 -5.217 -4.160 435 HA ILE 60 HA ILE 60 4.566 -3.726 -1.819 436 HB ILE 60 HB ILE 60 2.484 -4.348 -3.810 437 1HG1 ILE 60 2HG1 ILE 60 2.034 -1.819 -3.309 438 2HG1 ILE 60 3HG1 ILE 60 3.531 -1.922 -2.405 439 1HG2 ILE 60 1HG2 ILE 60 1.538 -3.495 -1.076 440 2HG2 ILE 60 2HG2 ILE 60 0.600 -3.405 -2.584 441 3HG2 ILE 60 3HG2 ILE 60 1.098 -4.968 -1.960 442 1HD1 ILE 60 1HD1 ILE 60 3.926 -1.144 -4.669 443 2HD1 ILE 60 2HD1 ILE 60 4.640 -2.767 -4.518 444 3HD1 ILE 60 3HD1 ILE 60 3.078 -2.542 -5.353 445 H GLN 61 H GLN 61 2.626 -6.791 -2.171 446 HA GLN 61 HA GLN 61 1.900 -7.174 0.475 447 1HB GLN 61 2HB GLN 61 2.833 -9.183 -1.589 448 2HB GLN 61 3HB GLN 61 2.426 -9.628 0.080 449 1HG GLN 61 2HG GLN 61 0.551 -10.185 -1.112 450 2HG GLN 61 3HG GLN 61 0.136 -8.735 -0.209 451 1HE2 GLN 61 1HE2 GLN 61 -0.089 -6.707 -1.451 452 2HE2 GLN 61 2HE2 GLN 61 -0.410 -6.815 -3.181 453 H GLU 62 H GLU 62 4.957 -8.220 -1.048 454 HA GLU 62 HA GLU 62 6.158 -9.385 1.128 455 1HB GLU 62 2HB GLU 62 6.879 -8.750 -1.481 456 2HB GLU 62 3HB GLU 62 7.954 -7.667 -0.619 457 1HG GLU 62 2HG GLU 62 7.722 -10.685 -0.108 458 2HG GLU 62 3HG GLU 62 8.819 -9.960 -1.293 459 H LYS 63 H LYS 63 6.318 -5.868 0.360 460 HA LYS 63 HA LYS 63 7.725 -5.418 2.881 461 1HB LYS 63 2HB LYS 63 7.045 -3.850 0.517 462 2HB LYS 63 3HB LYS 63 6.579 -3.021 1.986 463 1HG LYS 63 2HG LYS 63 8.869 -2.439 1.374 464 2HG LYS 63 3HG LYS 63 8.884 -3.310 2.907 465 1HD LYS 63 2HD LYS 63 9.106 -5.120 0.573 466 2HD LYS 63 3HD LYS 63 10.373 -3.886 0.579 467 1HE LYS 63 2HE LYS 63 11.223 -4.578 2.706 468 2HE LYS 63 3HE LYS 63 9.848 -5.649 3.008 469 1HZ LYS 63 1HZ LYS 63 10.501 -7.005 1.180 470 2HZ LYS 63 2HZ LYS 63 11.803 -6.078 0.848 471 3HZ LYS 63 3HZ LYS 63 11.694 -6.931 2.253 472 H ILE 64 H ILE 64 4.295 -5.094 1.824 473 HA ILE 64 HA ILE 64 3.321 -3.778 3.994 474 HB ILE 64 HB ILE 64 2.006 -5.913 2.294 475 1HG1 ILE 64 2HG1 ILE 64 2.621 -3.787 1.117 476 2HG1 ILE 64 3HG1 ILE 64 0.894 -4.094 1.221 477 1HG2 ILE 64 1HG2 ILE 64 0.661 -5.982 4.186 478 2HG2 ILE 64 2HG2 ILE 64 0.985 -4.286 4.620 479 3HG2 ILE 64 3HG2 ILE 64 -0.086 -4.653 3.272 480 1HD1 ILE 64 1HD1 ILE 64 1.149 -2.547 3.388 481 2HD1 ILE 64 2HD1 ILE 64 2.571 -1.992 2.486 482 3HD1 ILE 64 3HD1 ILE 64 0.930 -1.899 1.778 483 H GLU 65 H GLU 65 3.902 -7.335 3.592 484 HA GLU 65 HA GLU 65 2.899 -8.347 6.025 485 1HB GLU 65 2HB GLU 65 5.085 -9.094 4.103 486 2HB GLU 65 3HB GLU 65 4.871 -10.006 5.609 487 1HG GLU 65 2HG GLU 65 2.498 -9.484 3.786 488 2HG GLU 65 3HG GLU 65 3.621 -10.806 3.457 489 H LYS 66 H LYS 66 6.113 -6.890 5.320 490 HA LYS 66 HA LYS 66 6.958 -7.368 8.043 491 1HB LYS 66 2HB LYS 66 8.389 -7.383 5.953 492 2HB LYS 66 3HB LYS 66 8.387 -5.609 6.069 493 1HG LYS 66 2HG LYS 66 9.808 -5.649 7.929 494 2HG LYS 66 3HG LYS 66 8.968 -6.997 8.657 495 1HD LYS 66 2HD LYS 66 11.093 -7.803 8.321 496 2HD LYS 66 3HD LYS 66 10.111 -8.570 7.061 497 1HE LYS 66 2HE LYS 66 10.977 -6.931 5.398 498 2HE LYS 66 3HE LYS 66 11.880 -6.092 6.675 499 1HZ LYS 66 1HZ LYS 66 12.350 -8.864 5.785 500 2HZ LYS 66 2HZ LYS 66 13.314 -7.566 5.478 501 3HZ LYS 66 3HZ LYS 66 13.149 -8.114 7.013 502 H LEU 67 H LEU 67 5.548 -4.609 6.269 503 HA LEU 67 HA LEU 67 5.879 -2.680 8.338 504 1HB LEU 67 2HB LEU 67 3.808 -3.208 6.194 505 2HB LEU 67 3HB LEU 67 3.464 -2.036 7.426 506 HG LEU 67 HG LEU 67 4.303 -1.022 5.448 507 1HD1 LEU 67 1HD1 LEU 67 6.491 -0.720 7.536 508 2HD1 LEU 67 2HD1 LEU 67 5.840 0.514 6.445 509 3HD1 LEU 67 3HD1 LEU 67 4.844 -0.092 7.782 510 1HD2 LEU 67 1HD2 LEU 67 5.703 -2.559 4.407 511 2HD2 LEU 67 2HD2 LEU 67 6.663 -1.125 4.740 512 3HD2 LEU 67 3HD2 LEU 67 6.879 -2.563 5.753 513 H GLY 68 H GLY 68 4.029 -5.660 8.230 514 1HA GLY 68 2HA GLY 68 3.831 -6.781 10.288 515 2HA GLY 68 3HA GLY 68 3.463 -5.273 11.129 516 H TYR 69 H TYR 69 2.015 -6.195 7.979 517 HA TYR 69 HA TYR 69 -0.606 -6.886 9.244 518 1HB TYR 69 2HB TYR 69 -0.345 -4.550 7.313 519 2HB TYR 69 3HB TYR 69 -1.771 -5.068 8.200 520 HD1 TYR 69 HD1 TYR 69 1.470 -3.328 8.392 521 HD2 TYR 69 HD2 TYR 69 -2.087 -4.393 10.548 522 HE1 TYR 69 HE1 TYR 69 1.933 -1.541 10.001 523 HE2 TYR 69 HE2 TYR 69 -1.685 -2.517 12.128 524 HH TYR 69 HH TYR 69 1.268 -0.509 11.973 525 H HIS 70 H HIS 70 -2.237 -7.070 7.252 526 HA HIS 70 HA HIS 70 -0.730 -8.144 4.958 527 1HB HIS 70 2HB HIS 70 -2.262 -9.809 4.602 528 2HB HIS 70 3HB HIS 70 -1.577 -10.034 6.204 529 HD1 HIS 70 1HD HIS 70 -4.725 -7.847 5.489 530 HD2 HIS 70 2HD HIS 70 -3.555 -11.618 6.806 531 HE1 HIS 70 1HE HIS 70 -6.859 -9.041 6.261 532 H VAL 71 H VAL 71 -1.427 -7.542 3.185 533 HA VAL 71 HA VAL 71 -3.877 -5.870 2.825 534 HB VAL 71 HB VAL 71 -1.874 -4.731 2.050 535 1HG1 VAL 71 1HG1 VAL 71 -0.524 -5.566 0.192 536 2HG1 VAL 71 2HG1 VAL 71 -0.401 -6.693 1.552 537 3HG1 VAL 71 3HG1 VAL 71 -1.445 -7.078 0.162 538 1HG2 VAL 71 1HG2 VAL 71 -3.976 -4.429 0.833 539 2HG2 VAL 71 2HG2 VAL 71 -2.526 -4.288 -0.200 540 3HG2 VAL 71 3HG2 VAL 71 -3.534 -5.745 -0.280 541 H VAL 72 H VAL 72 -5.473 -6.654 1.482 542 HA VAL 72 HA VAL 72 -4.984 -9.307 0.193 543 HB VAL 72 HB VAL 72 -7.489 -9.631 0.523 544 1HG1 VAL 72 1HG1 VAL 72 -5.720 -10.871 1.738 545 2HG1 VAL 72 2HG1 VAL 72 -5.649 -9.557 2.940 546 3HG1 VAL 72 3HG1 VAL 72 -7.126 -10.539 2.783 547 1HG2 VAL 72 1HG2 VAL 72 -7.057 -7.735 2.874 548 2HG2 VAL 72 2HG2 VAL 72 -7.946 -7.275 1.380 549 3HG2 VAL 72 3HG2 VAL 72 -8.535 -8.587 2.430 550 H ILE 73 H ILE 73 -5.642 -9.576 -1.843 551 HA ILE 73 HA ILE 73 -6.094 -7.037 -3.357 552 HB ILE 73 HB ILE 73 -4.402 -9.480 -4.039 553 1HG1 ILE 73 2HG1 ILE 73 -3.417 -8.261 -2.111 554 2HG1 ILE 73 3HG1 ILE 73 -2.445 -8.274 -3.556 555 1HG2 ILE 73 1HG2 ILE 73 -3.455 -7.982 -5.806 556 2HG2 ILE 73 2HG2 ILE 73 -5.160 -8.363 -6.060 557 3HG2 ILE 73 3HG2 ILE 73 -4.705 -6.779 -5.424 558 1HD1 ILE 73 1HD1 ILE 73 -4.202 -5.927 -2.694 559 2HD1 ILE 73 2HD1 ILE 73 -2.464 -6.056 -2.404 560 3HD1 ILE 73 3HD1 ILE 73 -3.063 -5.936 -4.061 561 H GLU 74 H GLU 74 -8.336 -7.386 -3.458 562 HA GLU 74 HA GLU 74 -9.112 -9.367 -5.524 563 1HB GLU 74 2HB GLU 74 -10.781 -8.510 -3.105 564 2HB GLU 74 3HB GLU 74 -11.375 -9.399 -4.515 565 1HG GLU 74 2HG GLU 74 -9.604 -11.180 -3.996 566 2HG GLU 74 3HG GLU 74 -9.370 -10.360 -2.441 567 H GLY 75 H GLY 75 -10.472 -8.470 -7.067 568 1HA GLY 75 2HA GLY 75 -11.603 -6.874 -8.259 569 2HA GLY 75 3HA GLY 75 -11.779 -5.952 -6.761 570 H ARG 76 H ARG 76 -9.082 -6.885 -8.938 571 HA ARG 76 HA ARG 76 -8.067 -5.659 -10.546 572 1HB ARG 76 2HB ARG 76 -9.988 -3.896 -10.133 573 2HB ARG 76 3HB ARG 76 -8.709 -2.986 -9.305 574 1HG ARG 76 2HG ARG 76 -7.383 -3.001 -11.397 575 2HG ARG 76 3HG ARG 76 -8.598 -4.038 -12.162 576 1HD ARG 76 2HD ARG 76 -10.291 -2.074 -11.443 577 2HD ARG 76 3HD ARG 76 -8.817 -1.140 -11.279 578 HE ARG 76 HE ARG 76 -8.698 -0.949 -13.553 579 1HH1 ARG 76 2HH2 ARG 76 -10.688 -3.734 -12.779 580 2HH1 ARG 76 1HH2 ARG 76 -11.316 -3.978 -14.382 581 1HH2 ARG 76 2HH1 ARG 76 -9.506 -1.206 -15.724 582 2HH2 ARG 76 1HH1 ARG 76 -10.593 -2.501 -16.107 Start of MODEL 28 1 1H MET 1 H1 MET 1 8.785 2.205 -24.724 2 2H MET 1 H2 MET 1 7.905 3.149 -25.788 3 3H MET 1 H3 MET 1 7.759 3.326 -24.135 4 HA MET 1 HA MET 1 5.895 2.059 -24.715 5 1HB MET 1 2HB MET 1 7.946 0.657 -26.468 6 2HB MET 1 3HB MET 1 6.616 -0.288 -25.804 7 1HG MET 1 2HG MET 1 4.966 1.196 -26.806 8 2HG MET 1 3HG MET 1 6.252 2.161 -27.556 9 1HE MET 1 1HE MET 1 4.823 1.749 -29.853 10 2HE MET 1 2HE MET 1 4.483 0.120 -30.487 11 3HE MET 1 3HE MET 1 3.692 0.671 -28.993 12 H LEU 2 H LEU 2 5.261 0.404 -23.167 13 HA LEU 2 HA LEU 2 5.443 -1.070 -21.535 14 1HB LEU 2 2HB LEU 2 7.497 -1.925 -23.333 15 2HB LEU 2 3HB LEU 2 8.233 -1.969 -21.744 16 HG LEU 2 HG LEU 2 6.082 -3.230 -20.991 17 1HD1 LEU 2 1HD1 LEU 2 5.901 -3.620 -24.024 18 2HD1 LEU 2 2HD1 LEU 2 4.904 -4.430 -22.800 19 3HD1 LEU 2 3HD1 LEU 2 4.743 -2.685 -23.058 20 1HD2 LEU 2 1HD2 LEU 2 8.036 -4.494 -22.958 21 2HD2 LEU 2 2HD2 LEU 2 8.269 -4.303 -21.205 22 3HD2 LEU 2 3HD2 LEU 2 6.998 -5.377 -21.816 23 H SER 3 H SER 3 5.395 1.276 -20.763 24 HA SER 3 HA SER 3 6.867 1.513 -18.309 25 1HB SER 3 2HB SER 3 8.096 3.594 -18.904 26 2HB SER 3 3HB SER 3 8.754 2.166 -19.712 27 HG SER 3 HG SER 3 6.858 3.959 -20.834 28 H GLU 4 H GLU 4 4.528 1.555 -17.887 29 HA GLU 4 HA GLU 4 3.410 4.243 -17.947 30 1HB GLU 4 2HB GLU 4 1.260 3.347 -18.971 31 2HB GLU 4 3HB GLU 4 2.610 3.673 -20.052 32 1HG GLU 4 2HG GLU 4 2.712 0.865 -19.221 33 2HG GLU 4 3HG GLU 4 1.119 1.280 -19.825 34 H GLN 5 H GLN 5 2.576 4.573 -16.033 35 HA GLN 5 HA GLN 5 2.426 2.343 -14.151 36 1HB GLN 5 2HB GLN 5 2.379 4.087 -12.473 37 2HB GLN 5 3HB GLN 5 3.729 4.314 -13.606 38 1HG GLN 5 2HG GLN 5 2.379 6.123 -14.741 39 2HG GLN 5 3HG GLN 5 1.087 5.858 -13.560 40 1HE2 GLN 5 1HE2 GLN 5 3.708 5.323 -11.685 41 2HE2 GLN 5 2HE2 GLN 5 3.899 6.908 -11.031 42 H LYS 6 H LYS 6 0.728 2.530 -12.324 43 HA LYS 6 HA LYS 6 -1.747 3.804 -13.113 44 1HB LYS 6 2HB LYS 6 -1.474 0.817 -13.320 45 2HB LYS 6 3HB LYS 6 -2.855 1.370 -12.401 46 1HG LYS 6 2HG LYS 6 -3.184 3.007 -14.539 47 2HG LYS 6 3HG LYS 6 -2.255 1.727 -15.295 48 1HD LYS 6 2HD LYS 6 -4.478 1.151 -15.643 49 2HD LYS 6 3HD LYS 6 -4.006 0.067 -14.343 50 1HE LYS 6 2HE LYS 6 -5.373 2.762 -13.762 51 2HE LYS 6 3HE LYS 6 -6.318 1.398 -14.346 52 1HZ LYS 6 1HZ LYS 6 -6.404 1.513 -12.009 53 2HZ LYS 6 2HZ LYS 6 -5.641 0.127 -12.437 54 3HZ LYS 6 3HZ LYS 6 -4.806 1.382 -11.796 55 H GLU 7 H GLU 7 -3.386 3.640 -11.584 56 HA GLU 7 HA GLU 7 -2.597 3.735 -8.760 57 1HB GLU 7 2HB GLU 7 -5.096 4.274 -8.584 58 2HB GLU 7 3HB GLU 7 -4.125 5.464 -9.451 59 1HG GLU 7 2HG GLU 7 -4.937 4.727 -11.608 60 2HG GLU 7 3HG GLU 7 -5.716 3.303 -10.868 61 H ILE 8 H ILE 8 -3.131 2.137 -7.312 62 HA ILE 8 HA ILE 8 -5.076 0.044 -8.109 63 HB ILE 8 HB ILE 8 -2.319 -0.387 -7.447 64 1HG1 ILE 8 2HG1 ILE 8 -2.997 -2.815 -7.498 65 2HG1 ILE 8 3HG1 ILE 8 -4.675 -2.296 -7.671 66 1HG2 ILE 8 1HG2 ILE 8 -2.352 -1.790 -5.486 67 2HG2 ILE 8 2HG2 ILE 8 -2.857 -0.155 -5.063 68 3HG2 ILE 8 3HG2 ILE 8 -4.066 -1.457 -5.209 69 1HD1 ILE 8 1HD1 ILE 8 -3.517 -2.860 -9.838 70 2HD1 ILE 8 2HD1 ILE 8 -4.131 -1.201 -9.813 71 3HD1 ILE 8 3HD1 ILE 8 -2.399 -1.508 -9.564 72 H ALA 9 H ALA 9 -6.421 -0.555 -6.358 73 HA ALA 9 HA ALA 9 -6.340 1.039 -3.892 74 1HB ALA 9 1HB ALA 9 -7.807 2.374 -5.339 75 2HB ALA 9 2HB ALA 9 -8.759 0.928 -5.738 76 3HB ALA 9 3HB ALA 9 -8.755 1.562 -4.079 77 H MET 10 H MET 10 -6.699 -0.320 -2.192 78 HA MET 10 HA MET 10 -8.281 -2.788 -2.543 79 1HB MET 10 2HB MET 10 -6.386 -4.233 -2.031 80 2HB MET 10 3HB MET 10 -6.128 -3.352 -3.534 81 1HG MET 10 2HG MET 10 -4.823 -1.616 -2.147 82 2HG MET 10 3HG MET 10 -4.926 -2.805 -0.836 83 1HE MET 10 1HE MET 10 -2.189 -1.959 -1.079 84 2HE MET 10 2HE MET 10 -1.190 -2.490 -2.452 85 3HE MET 10 3HE MET 10 -2.424 -1.235 -2.680 86 H GLN 11 H GLN 11 -7.921 -4.139 -0.306 87 HA GLN 11 HA GLN 11 -8.452 -2.144 1.841 88 1HB GLN 11 2HB GLN 11 -9.365 -4.965 2.167 89 2HB GLN 11 3HB GLN 11 -9.916 -3.480 2.879 90 1HG GLN 11 2HG GLN 11 -11.670 -4.104 1.550 91 2HG GLN 11 3HG GLN 11 -10.882 -2.888 0.549 92 1HE2 GLN 11 1HE2 GLN 11 -9.649 -3.663 -1.259 93 2HE2 GLN 11 2HE2 GLN 11 -9.966 -5.186 -2.041 94 H VAL 12 H VAL 12 -7.643 -2.590 3.949 95 HA VAL 12 HA VAL 12 -5.255 -4.380 3.966 96 HB VAL 12 HB VAL 12 -5.420 -1.963 5.752 97 1HG1 VAL 12 1HG1 VAL 12 -3.568 -3.570 6.132 98 2HG1 VAL 12 2HG1 VAL 12 -3.142 -3.488 4.403 99 3HG1 VAL 12 3HG1 VAL 12 -2.948 -2.070 5.440 100 1HG2 VAL 12 1HG2 VAL 12 -4.111 -0.718 4.021 101 2HG2 VAL 12 2HG2 VAL 12 -4.558 -1.997 2.852 102 3HG2 VAL 12 3HG2 VAL 12 -5.809 -0.958 3.598 103 H SER 13 H SER 13 -4.702 -5.311 6.059 104 HA SER 13 HA SER 13 -6.983 -5.542 7.963 105 1HB SER 13 2HB SER 13 -6.477 -7.534 6.379 106 2HB SER 13 3HB SER 13 -4.981 -7.721 7.316 107 HG SER 13 HG SER 13 -6.846 -8.947 8.095 108 H GLY 14 H GLY 14 -6.413 -4.881 9.945 109 1HA GLY 14 2HA GLY 14 -5.059 -5.269 11.876 110 2HA GLY 14 3HA GLY 14 -3.591 -5.145 10.913 111 H MET 15 H MET 15 -5.316 -2.700 9.642 112 HA MET 15 HA MET 15 -3.901 -0.616 10.873 113 1HB MET 15 2HB MET 15 -5.513 0.893 9.797 114 2HB MET 15 3HB MET 15 -4.863 -0.319 8.683 115 1HG MET 15 2HG MET 15 -7.533 -0.775 10.039 116 2HG MET 15 3HG MET 15 -7.419 0.284 8.647 117 1HE MET 15 1HE MET 15 -9.243 -2.894 7.365 118 2HE MET 15 2HE MET 15 -9.242 -2.417 9.074 119 3HE MET 15 3HE MET 15 -9.373 -1.178 7.810 120 H THR 16 H THR 16 -4.402 0.936 12.456 121 HA THR 16 HA THR 16 -6.908 0.564 14.040 122 HB THR 16 HB THR 16 -5.635 0.963 16.088 123 HG1 THR 16 1HG THR 16 -3.269 0.601 14.567 124 1HG2 THR 16 1HG2 THR 16 -6.023 -1.392 15.313 125 2HG2 THR 16 2HG2 THR 16 -4.419 -1.381 14.554 126 3HG2 THR 16 3HG2 THR 16 -4.566 -1.201 16.310 127 H CYS 17 H CYS 17 -6.128 2.420 11.850 128 HA CYS 17 HA CYS 17 -6.151 4.608 11.335 129 1HB CYS 17 2HB CYS 17 -8.413 4.254 12.466 130 2HB CYS 17 3HB CYS 17 -7.747 5.110 13.870 131 HG CYS 17 HG CYS 17 -9.241 6.706 12.427 132 H ALA 18 H ALA 18 -6.234 6.735 13.701 133 HA ALA 18 HA ALA 18 -4.764 8.221 14.418 134 1HB ALA 18 1HB ALA 18 -2.880 7.430 15.789 135 2HB ALA 18 2HB ALA 18 -4.395 6.590 16.165 136 3HB ALA 18 3HB ALA 18 -3.144 5.767 15.221 137 H ALA 19 H ALA 19 -2.285 5.938 13.335 138 HA ALA 19 HA ALA 19 -1.706 7.463 10.900 139 1HB ALA 19 1HB ALA 19 -0.479 8.772 12.623 140 2HB ALA 19 2HB ALA 19 0.378 7.299 13.124 141 3HB ALA 19 3HB ALA 19 0.633 7.974 11.499 142 H CYS 20 H CYS 20 -2.405 4.591 11.903 143 HA CYS 20 HA CYS 20 0.112 3.105 11.694 144 1HB CYS 20 2HB CYS 20 -2.793 2.326 12.106 145 2HB CYS 20 3HB CYS 20 -1.590 1.124 11.596 146 HG CYS 20 HG CYS 20 -1.647 3.018 14.267 147 H ALA 21 H ALA 21 -2.919 3.053 9.780 148 HA ALA 21 HA ALA 21 -1.831 1.616 7.621 149 1HB ALA 21 1HB ALA 21 -3.828 2.309 6.414 150 2HB ALA 21 2HB ALA 21 -4.210 1.889 8.092 151 3HB ALA 21 3HB ALA 21 -4.117 3.598 7.622 152 H ALA 22 H ALA 22 -1.807 5.066 8.330 153 HA ALA 22 HA ALA 22 -0.722 5.948 5.829 154 1HB ALA 22 1HB ALA 22 -0.366 7.036 8.677 155 2HB ALA 22 2HB ALA 22 0.011 7.919 7.175 156 3HB ALA 22 3HB ALA 22 -1.668 7.477 7.561 157 H ARG 23 H ARG 23 0.896 4.906 8.920 158 HA ARG 23 HA ARG 23 3.549 5.070 7.955 159 1HB ARG 23 2HB ARG 23 2.237 3.399 10.105 160 2HB ARG 23 3HB ARG 23 3.921 3.145 9.677 161 1HG ARG 23 2HG ARG 23 2.961 5.962 10.180 162 2HG ARG 23 3HG ARG 23 3.218 4.886 11.562 163 1HD ARG 23 2HD ARG 23 5.483 4.533 11.089 164 2HD ARG 23 3HD ARG 23 5.372 5.181 9.438 165 HE ARG 23 HE ARG 23 4.628 7.321 10.955 166 1HH1 ARG 23 2HH2 ARG 23 7.454 5.208 11.059 167 2HH1 ARG 23 1HH2 ARG 23 8.567 6.444 11.548 168 1HH2 ARG 23 2HH1 ARG 23 6.093 9.012 11.531 169 2HH2 ARG 23 1HH1 ARG 23 7.769 8.667 11.802 170 H ILE 24 H ILE 24 1.199 2.356 7.721 171 HA ILE 24 HA ILE 24 2.844 0.445 6.506 172 HB ILE 24 HB ILE 24 -0.050 1.059 5.727 173 1HG1 ILE 24 2HG1 ILE 24 1.053 -0.918 7.723 174 2HG1 ILE 24 3HG1 ILE 24 0.218 0.560 8.161 175 1HG2 ILE 24 1HG2 ILE 24 1.585 -1.455 5.356 176 2HG2 ILE 24 2HG2 ILE 24 -0.128 -1.237 4.922 177 3HG2 ILE 24 3HG2 ILE 24 1.094 -0.328 4.064 178 1HD1 ILE 24 1HD1 ILE 24 -0.963 -1.908 6.910 179 2HD1 ILE 24 2HD1 ILE 24 -1.527 -0.959 8.298 180 3HD1 ILE 24 3HD1 ILE 24 -1.745 -0.346 6.654 181 H GLU 25 H GLU 25 0.775 2.826 4.761 182 HA GLU 25 HA GLU 25 1.964 2.029 2.320 183 1HB GLU 25 2HB GLU 25 -0.346 3.434 3.036 184 2HB GLU 25 3HB GLU 25 0.658 4.665 2.284 185 1HG GLU 25 2HG GLU 25 -0.664 3.607 0.519 186 2HG GLU 25 3HG GLU 25 1.005 3.070 0.309 187 H LYS 26 H LYS 26 2.685 4.719 4.538 188 HA LYS 26 HA LYS 26 4.510 6.200 2.954 189 1HB LYS 26 2HB LYS 26 4.123 5.628 5.885 190 2HB LYS 26 3HB LYS 26 5.597 6.398 5.390 191 1HG LYS 26 2HG LYS 26 2.984 7.521 4.336 192 2HG LYS 26 3HG LYS 26 3.443 7.829 6.016 193 1HD LYS 26 2HD LYS 26 5.636 8.691 5.350 194 2HD LYS 26 3HD LYS 26 5.290 8.377 3.637 195 1HE LYS 26 2HE LYS 26 3.513 10.077 3.652 196 2HE LYS 26 3HE LYS 26 3.568 10.200 5.416 197 1HZ LYS 26 1HZ LYS 26 5.730 11.165 5.277 198 2HZ LYS 26 2HZ LYS 26 5.756 11.045 3.636 199 3HZ LYS 26 3HZ LYS 26 4.674 12.037 4.378 200 H GLY 27 H GLY 27 4.897 3.165 4.817 201 1HA GLY 27 2HA GLY 27 7.653 2.683 4.361 202 2HA GLY 27 3HA GLY 27 6.390 1.445 4.472 203 H LEU 28 H LEU 28 4.742 1.857 2.291 204 HA LEU 28 HA LEU 28 6.362 0.814 0.181 205 1HB LEU 28 2HB LEU 28 3.570 1.960 0.120 206 2HB LEU 28 3HB LEU 28 4.370 1.179 -1.242 207 HG LEU 28 HG LEU 28 3.844 -0.196 1.411 208 1HD1 LEU 28 1HD1 LEU 28 2.386 -0.012 -1.244 209 2HD1 LEU 28 2HD1 LEU 28 2.156 -1.381 -0.148 210 3HD1 LEU 28 3HD1 LEU 28 1.829 0.265 0.412 211 1HD2 LEU 28 1HD2 LEU 28 5.175 -1.146 -1.156 212 2HD2 LEU 28 2HD2 LEU 28 5.714 -1.333 0.514 213 3HD2 LEU 28 3HD2 LEU 28 4.341 -2.269 -0.067 214 H LYS 29 H LYS 29 5.315 4.164 0.872 215 HA LYS 29 HA LYS 29 6.149 5.278 -1.598 216 1HB LYS 29 2HB LYS 29 4.804 6.510 -0.336 217 2HB LYS 29 3HB LYS 29 5.854 6.535 1.074 218 1HG LYS 29 2HG LYS 29 7.221 8.199 0.208 219 2HG LYS 29 3HG LYS 29 7.029 7.643 -1.456 220 1HD LYS 29 2HD LYS 29 6.052 9.826 -1.173 221 2HD LYS 29 3HD LYS 29 4.938 8.603 -1.779 222 1HE LYS 29 2HE LYS 29 3.863 8.398 0.424 223 2HE LYS 29 3HE LYS 29 5.021 9.548 1.123 224 1HZ LYS 29 1HZ LYS 29 3.122 10.129 -1.062 225 2HZ LYS 29 2HZ LYS 29 2.851 10.544 0.473 226 3HZ LYS 29 3HZ LYS 29 4.095 11.235 -0.373 227 H ARG 30 H ARG 30 8.185 3.842 0.856 228 HA ARG 30 HA ARG 30 10.605 5.000 -0.385 229 1HB ARG 30 2HB ARG 30 10.002 3.631 2.117 230 2HB ARG 30 3HB ARG 30 11.304 2.806 1.274 231 1HG ARG 30 2HG ARG 30 12.341 4.480 2.619 232 2HG ARG 30 3HG ARG 30 12.428 5.055 0.949 233 1HD ARG 30 2HD ARG 30 10.190 6.320 1.503 234 2HD ARG 30 3HD ARG 30 10.562 5.907 3.189 235 HE ARG 30 HE ARG 30 12.762 7.179 1.737 236 1HH1 ARG 30 2HH2 ARG 30 9.832 7.815 3.568 237 2HH1 ARG 30 1HH2 ARG 30 10.244 9.452 3.993 238 1HH2 ARG 30 2HH1 ARG 30 13.312 9.383 2.185 239 2HH2 ARG 30 1HH1 ARG 30 12.266 10.375 3.141 240 H MET 31 H MET 31 8.575 2.371 -1.278 241 HA MET 31 HA MET 31 10.667 0.613 -2.129 242 1HB MET 31 2HB MET 31 7.710 0.693 -2.771 243 2HB MET 31 3HB MET 31 8.794 -0.555 -3.374 244 1HG MET 31 2HG MET 31 8.407 -0.046 -0.401 245 2HG MET 31 3HG MET 31 7.457 -1.151 -1.386 246 1HE MET 31 1HE MET 31 11.518 -0.683 -0.719 247 2HE MET 31 2HE MET 31 10.491 -0.706 0.740 248 3HE MET 31 3HE MET 31 11.539 -2.087 0.342 249 HA PRO 32 HA PRO 32 11.675 2.698 -5.897 250 1HB PRO 32 2HB PRO 32 13.144 0.797 -7.172 251 2HB PRO 32 3HB PRO 32 13.712 1.610 -5.686 252 1HG PRO 32 2HG PRO 32 12.333 -1.088 -5.892 253 2HG PRO 32 3HG PRO 32 13.845 -0.700 -5.021 254 1HD PRO 32 2HD PRO 32 11.454 -0.787 -3.748 255 2HD PRO 32 3HD PRO 32 12.661 0.469 -3.327 256 H GLY 33 H GLY 33 9.495 2.902 -6.767 257 1HA GLY 33 2HA GLY 33 9.079 2.497 -9.303 258 2HA GLY 33 3HA GLY 33 8.670 0.894 -8.804 259 H VAL 34 H VAL 34 7.711 2.387 -6.099 260 HA VAL 34 HA VAL 34 5.016 3.079 -6.986 261 HB VAL 34 HB VAL 34 5.948 2.162 -4.645 262 1HG1 VAL 34 1HG1 VAL 34 5.850 5.195 -4.221 263 2HG1 VAL 34 2HG1 VAL 34 5.901 3.905 -3.044 264 3HG1 VAL 34 3HG1 VAL 34 7.306 4.158 -4.098 265 1HG2 VAL 34 1HG2 VAL 34 3.918 2.974 -3.557 266 2HG2 VAL 34 2HG2 VAL 34 3.627 4.106 -4.889 267 3HG2 VAL 34 3HG2 VAL 34 3.580 2.345 -5.162 268 H THR 35 H THR 35 4.166 5.190 -7.012 269 HA THR 35 HA THR 35 6.147 7.412 -7.153 270 HB THR 35 HB THR 35 3.477 8.127 -8.093 271 HG1 THR 35 1HG THR 35 4.782 5.872 -9.198 272 1HG2 THR 35 1HG2 THR 35 5.594 9.319 -8.658 273 2HG2 THR 35 2HG2 THR 35 6.172 7.880 -9.531 274 3HG2 THR 35 3HG2 THR 35 4.736 8.763 -10.104 275 H ASP 36 H ASP 36 2.803 6.647 -5.934 276 HA ASP 36 HA ASP 36 3.425 8.092 -3.512 277 1HB ASP 36 2HB ASP 36 2.871 9.996 -5.046 278 2HB ASP 36 3HB ASP 36 1.279 9.270 -5.341 279 H ALA 37 H ALA 37 1.665 8.147 -2.010 280 HA ALA 37 HA ALA 37 -0.073 5.703 -2.119 281 1HB ALA 37 1HB ALA 37 1.916 6.645 -0.006 282 2HB ALA 37 2HB ALA 37 0.679 5.416 0.252 283 3HB ALA 37 3HB ALA 37 1.972 5.126 -0.936 284 H ASN 38 H ASN 38 -2.137 6.061 -1.306 285 HA ASN 38 HA ASN 38 -2.700 8.480 0.330 286 1HB ASN 38 2HB ASN 38 -3.822 7.801 -2.405 287 2HB ASN 38 3HB ASN 38 -4.797 8.649 -1.203 288 1HD2 ASN 38 1HD2 ASN 38 -1.767 8.895 -3.103 289 2HD2 ASN 38 2HD2 ASN 38 -1.529 10.596 -2.881 290 H VAL 39 H VAL 39 -3.275 7.442 2.142 291 HA VAL 39 HA VAL 39 -4.844 4.979 2.091 292 HB VAL 39 HB VAL 39 -2.970 5.284 3.606 293 1HG1 VAL 39 1HG1 VAL 39 -4.658 7.415 4.995 294 2HG1 VAL 39 2HG1 VAL 39 -3.153 6.707 5.602 295 3HG1 VAL 39 3HG1 VAL 39 -3.126 7.693 4.139 296 1HG2 VAL 39 1HG2 VAL 39 -5.620 5.023 5.063 297 2HG2 VAL 39 2HG2 VAL 39 -4.791 3.724 4.175 298 3HG2 VAL 39 3HG2 VAL 39 -4.028 4.460 5.595 299 H ASN 40 H ASN 40 -6.947 4.630 2.723 300 HA ASN 40 HA ASN 40 -8.639 6.978 3.265 301 1HB ASN 40 2HB ASN 40 -8.565 6.360 0.778 302 2HB ASN 40 3HB ASN 40 -9.334 4.833 1.206 303 1HD2 ASN 40 1HD2 ASN 40 -11.078 5.753 -0.293 304 2HD2 ASN 40 2HD2 ASN 40 -12.279 6.783 0.463 305 H LEU 41 H LEU 41 -8.247 5.856 5.425 306 HA LEU 41 HA LEU 41 -9.491 3.345 5.956 307 1HB LEU 41 2HB LEU 41 -8.977 5.677 7.843 308 2HB LEU 41 3HB LEU 41 -9.437 4.039 8.324 309 HG LEU 41 HG LEU 41 -6.878 4.879 6.925 310 1HD1 LEU 41 1HD1 LEU 41 -7.045 5.313 9.343 311 2HD1 LEU 41 2HD1 LEU 41 -7.457 3.601 9.630 312 3HD1 LEU 41 3HD1 LEU 41 -5.850 4.042 9.021 313 1HD2 LEU 41 1HD2 LEU 41 -8.035 2.122 7.491 314 2HD2 LEU 41 2HD2 LEU 41 -7.309 2.716 5.976 315 3HD2 LEU 41 3HD2 LEU 41 -6.289 2.374 7.377 316 H ALA 42 H ALA 42 -10.966 6.351 5.289 317 HA ALA 42 HA ALA 42 -13.452 6.110 6.671 318 1HB ALA 42 1HB ALA 42 -14.347 7.475 4.859 319 2HB ALA 42 2HB ALA 42 -12.741 8.094 5.300 320 3HB ALA 42 3HB ALA 42 -12.953 7.105 3.835 321 H THR 43 H THR 43 -11.984 4.337 4.019 322 HA THR 43 HA THR 43 -14.400 2.613 3.739 323 HB THR 43 HB THR 43 -12.357 3.492 1.640 324 HG1 THR 43 1HG THR 43 -14.887 4.473 2.393 325 1HG2 THR 43 1HG2 THR 43 -13.359 1.477 0.846 326 2HG2 THR 43 2HG2 THR 43 -14.968 1.948 1.451 327 3HG2 THR 43 3HG2 THR 43 -14.231 2.803 0.071 328 H GLU 44 H GLU 44 -11.828 2.480 5.522 329 HA GLU 44 HA GLU 44 -10.100 1.074 5.996 330 1HB GLU 44 2HB GLU 44 -12.316 -0.872 5.229 331 2HB GLU 44 3HB GLU 44 -10.851 -1.320 6.095 332 1HG GLU 44 2HG GLU 44 -11.423 0.432 7.849 333 2HG GLU 44 3HG GLU 44 -12.987 0.638 7.042 334 H THR 45 H THR 45 -9.614 2.165 3.479 335 HA THR 45 HA THR 45 -8.339 -0.048 2.044 336 HB THR 45 HB THR 45 -10.769 1.440 1.172 337 HG1 THR 45 1HG THR 45 -9.374 -0.857 0.320 338 1HG2 THR 45 1HG2 THR 45 -8.579 1.083 -0.914 339 2HG2 THR 45 2HG2 THR 45 -10.268 1.503 -1.190 340 3HG2 THR 45 3HG2 THR 45 -9.219 2.639 -0.329 341 H VAL 46 H VAL 46 -6.782 0.593 0.559 342 HA VAL 46 HA VAL 46 -5.877 3.409 0.847 343 HB VAL 46 HB VAL 46 -4.659 2.081 2.422 344 1HG1 VAL 46 1HG1 VAL 46 -3.153 0.234 1.757 345 2HG1 VAL 46 2HG1 VAL 46 -4.823 -0.179 1.330 346 3HG1 VAL 46 3HG1 VAL 46 -3.693 0.355 0.076 347 1HG2 VAL 46 1HG2 VAL 46 -2.753 2.534 0.097 348 2HG2 VAL 46 2HG2 VAL 46 -3.486 3.893 0.926 349 3HG2 VAL 46 3HG2 VAL 46 -2.486 2.775 1.851 350 H ASN 47 H ASN 47 -4.826 4.265 -0.936 351 HA ASN 47 HA ASN 47 -5.028 2.656 -3.404 352 1HB ASN 47 2HB ASN 47 -6.748 4.428 -3.376 353 2HB ASN 47 3HB ASN 47 -5.513 5.644 -3.024 354 1HD2 ASN 47 1HD2 ASN 47 -3.756 5.966 -4.749 355 2HD2 ASN 47 2HD2 ASN 47 -4.255 5.689 -6.409 356 H VAL 48 H VAL 48 -3.151 2.736 -4.682 357 HA VAL 48 HA VAL 48 -1.041 4.627 -3.957 358 HB VAL 48 HB VAL 48 -0.650 2.900 -2.314 359 1HG1 VAL 48 1HG1 VAL 48 -0.061 0.597 -2.918 360 2HG1 VAL 48 2HG1 VAL 48 -1.735 0.980 -3.320 361 3HG1 VAL 48 3HG1 VAL 48 -0.509 0.907 -4.615 362 1HG2 VAL 48 1HG2 VAL 48 1.648 2.250 -2.888 363 2HG2 VAL 48 2HG2 VAL 48 1.364 2.724 -4.576 364 3HG2 VAL 48 3HG2 VAL 48 1.334 3.943 -3.280 365 H ILE 49 H ILE 49 0.305 5.080 -5.613 366 HA ILE 49 HA ILE 49 -0.495 3.975 -8.261 367 HB ILE 49 HB ILE 49 0.653 6.679 -7.478 368 1HG1 ILE 49 2HG1 ILE 49 -2.003 6.046 -8.815 369 2HG1 ILE 49 3HG1 ILE 49 -1.857 6.164 -7.056 370 1HG2 ILE 49 1HG2 ILE 49 1.562 5.982 -9.662 371 2HG2 ILE 49 2HG2 ILE 49 -0.051 5.519 -10.222 372 3HG2 ILE 49 3HG2 ILE 49 0.345 7.219 -9.929 373 1HD1 ILE 49 1HD1 ILE 49 -1.288 8.407 -9.027 374 2HD1 ILE 49 2HD1 ILE 49 -2.662 8.256 -7.923 375 3HD1 ILE 49 3HD1 ILE 49 -1.028 8.484 -7.269 376 H TYR 50 H TYR 50 1.008 2.803 -9.344 377 HA TYR 50 HA TYR 50 3.859 3.217 -8.804 378 1HB TYR 50 2HB TYR 50 4.177 0.705 -8.522 379 2HB TYR 50 3HB TYR 50 3.560 1.522 -7.132 380 HD1 TYR 50 HD1 TYR 50 1.633 0.583 -6.065 381 HD2 TYR 50 HD2 TYR 50 2.428 -0.393 -10.194 382 HE1 TYR 50 HE1 TYR 50 0.050 -1.321 -5.943 383 HE2 TYR 50 HE2 TYR 50 0.761 -2.178 -10.105 384 HH TYR 50 HH TYR 50 -0.696 -3.367 -8.754 385 H ASP 51 H ASP 51 5.240 1.901 -10.151 386 HA ASP 51 HA ASP 51 4.059 1.634 -12.841 387 1HB ASP 51 2HB ASP 51 5.935 3.197 -12.353 388 2HB ASP 51 3HB ASP 51 6.968 1.816 -12.047 389 HA PRO 52 HA PRO 52 4.548 -2.840 -11.904 390 1HB PRO 52 2HB PRO 52 3.367 -3.876 -14.087 391 2HB PRO 52 3HB PRO 52 2.444 -3.051 -12.800 392 1HG PRO 52 2HG PRO 52 3.423 -1.861 -15.410 393 2HG PRO 52 3HG PRO 52 1.764 -1.800 -14.743 394 1HD PRO 52 2HD PRO 52 3.555 0.216 -14.431 395 2HD PRO 52 3HD PRO 52 2.402 -0.187 -13.115 396 H ALA 53 H ALA 53 6.502 -0.954 -13.793 397 HA ALA 53 HA ALA 53 7.763 -3.127 -15.348 398 1HB ALA 53 1HB ALA 53 9.462 -1.443 -15.852 399 2HB ALA 53 2HB ALA 53 7.839 -0.782 -16.135 400 3HB ALA 53 3HB ALA 53 8.748 -0.320 -14.677 401 H GLU 54 H GLU 54 8.237 -1.273 -12.410 402 HA GLU 54 HA GLU 54 10.451 -2.996 -11.393 403 1HB GLU 54 2HB GLU 54 9.233 -0.307 -10.637 404 2HB GLU 54 3HB GLU 54 10.469 -1.093 -9.667 405 1HG GLU 54 2HG GLU 54 10.985 -0.553 -12.619 406 2HG GLU 54 3HG GLU 54 11.118 0.742 -11.424 407 H THR 55 H THR 55 7.226 -1.758 -10.714 408 HA THR 55 HA THR 55 7.020 -3.242 -8.193 409 HB THR 55 HB THR 55 6.496 -0.403 -8.829 410 HG1 THR 55 1HG THR 55 8.467 -1.937 -7.458 411 1HG2 THR 55 1HG2 THR 55 6.385 -0.285 -6.285 412 2HG2 THR 55 2HG2 THR 55 5.004 -0.949 -7.170 413 3HG2 THR 55 3HG2 THR 55 6.112 -2.070 -6.310 414 H GLY 56 H GLY 56 5.322 -4.314 -7.711 415 1HA GLY 56 2HA GLY 56 2.885 -2.922 -7.730 416 2HA GLY 56 3HA GLY 56 2.741 -4.352 -8.783 417 H THR 57 H THR 57 1.227 -4.843 -7.147 418 HA THR 57 HA THR 57 1.212 -5.525 -4.596 419 HB THR 57 HB THR 57 -0.781 -5.961 -5.514 420 HG1 THR 57 1HG THR 57 -0.429 -7.918 -4.465 421 1HG2 THR 57 1HG2 THR 57 -1.180 -7.290 -7.582 422 2HG2 THR 57 2HG2 THR 57 -0.280 -5.819 -7.901 423 3HG2 THR 57 3HG2 THR 57 0.571 -7.390 -7.858 424 H ALA 58 H ALA 58 2.969 -7.597 -6.956 425 HA ALA 58 HA ALA 58 3.720 -9.642 -5.219 426 1HB ALA 58 1HB ALA 58 5.405 -8.283 -7.375 427 2HB ALA 58 2HB ALA 58 5.731 -9.871 -6.653 428 3HB ALA 58 3HB ALA 58 4.265 -9.625 -7.620 429 H ALA 59 H ALA 59 5.294 -6.416 -5.524 430 HA ALA 59 HA ALA 59 7.481 -7.235 -3.664 431 1HB ALA 59 1HB ALA 59 8.132 -5.911 -5.646 432 2HB ALA 59 2HB ALA 59 6.979 -4.636 -5.192 433 3HB ALA 59 3HB ALA 59 8.377 -4.988 -4.151 434 H ILE 60 H ILE 60 4.607 -5.268 -4.048 435 HA ILE 60 HA ILE 60 4.940 -3.775 -1.678 436 HB ILE 60 HB ILE 60 2.903 -4.180 -3.809 437 1HG1 ILE 60 2HG1 ILE 60 3.456 -1.705 -2.262 438 2HG1 ILE 60 3HG1 ILE 60 4.747 -2.328 -3.303 439 1HG2 ILE 60 1HG2 ILE 60 1.996 -3.331 -1.052 440 2HG2 ILE 60 2HG2 ILE 60 1.176 -2.826 -2.544 441 3HG2 ILE 60 3HG2 ILE 60 1.292 -4.532 -2.139 442 1HD1 ILE 60 1HD1 ILE 60 3.251 -2.225 -5.263 443 2HD1 ILE 60 2HD1 ILE 60 1.972 -1.515 -4.249 444 3HD1 ILE 60 3HD1 ILE 60 3.496 -0.642 -4.504 445 H GLN 61 H GLN 61 2.823 -6.692 -2.217 446 HA GLN 61 HA GLN 61 1.922 -6.983 0.419 447 1HB GLN 61 2HB GLN 61 2.498 -8.907 -1.817 448 2HB GLN 61 3HB GLN 61 2.377 -9.546 -0.177 449 1HG GLN 61 2HG GLN 61 0.267 -9.828 -0.992 450 2HG GLN 61 3HG GLN 61 0.153 -8.451 0.102 451 1HE2 GLN 61 1HE2 GLN 61 0.675 -6.260 -1.296 452 2HE2 GLN 61 2HE2 GLN 61 -0.378 -6.127 -2.695 453 H GLU 62 H GLU 62 4.949 -8.281 -0.981 454 HA GLU 62 HA GLU 62 6.054 -9.452 1.246 455 1HB GLU 62 2HB GLU 62 6.911 -8.824 -1.315 456 2HB GLU 62 3HB GLU 62 7.926 -7.720 -0.401 457 1HG GLU 62 2HG GLU 62 7.705 -10.735 0.075 458 2HG GLU 62 3HG GLU 62 8.899 -9.946 -0.971 459 H LYS 63 H LYS 63 6.392 -5.948 0.439 460 HA LYS 63 HA LYS 63 7.732 -5.575 2.985 461 1HB LYS 63 2HB LYS 63 7.382 -3.993 0.627 462 2HB LYS 63 3HB LYS 63 6.695 -3.097 1.977 463 1HG LYS 63 2HG LYS 63 9.074 -2.586 1.797 464 2HG LYS 63 3HG LYS 63 8.814 -3.492 3.283 465 1HD LYS 63 2HD LYS 63 9.282 -5.346 1.063 466 2HD LYS 63 3HD LYS 63 10.553 -4.135 1.062 467 1HE LYS 63 2HE LYS 63 11.280 -4.713 3.272 468 2HE LYS 63 3HE LYS 63 9.821 -5.655 3.604 469 1HZ LYS 63 1HZ LYS 63 10.460 -7.238 1.966 470 2HZ LYS 63 2HZ LYS 63 11.810 -6.421 1.575 471 3HZ LYS 63 3HZ LYS 63 11.650 -7.102 3.066 472 H ILE 64 H ILE 64 4.350 -5.124 1.896 473 HA ILE 64 HA ILE 64 3.397 -3.751 4.065 474 HB ILE 64 HB ILE 64 2.052 -5.866 2.367 475 1HG1 ILE 64 2HG1 ILE 64 2.712 -3.796 1.119 476 2HG1 ILE 64 3HG1 ILE 64 0.971 -4.016 1.248 477 1HG2 ILE 64 1HG2 ILE 64 1.049 -4.203 4.657 478 2HG2 ILE 64 2HG2 ILE 64 -0.017 -4.487 3.285 479 3HG2 ILE 64 3HG2 ILE 64 0.643 -5.873 4.172 480 1HD1 ILE 64 1HD1 ILE 64 1.215 -2.474 3.324 481 2HD1 ILE 64 2HD1 ILE 64 2.788 -2.043 2.612 482 3HD1 ILE 64 3HD1 ILE 64 1.256 -1.767 1.733 483 H GLU 65 H GLU 65 3.808 -7.338 3.639 484 HA GLU 65 HA GLU 65 2.831 -8.277 6.122 485 1HB GLU 65 2HB GLU 65 4.946 -9.140 4.164 486 2HB GLU 65 3HB GLU 65 4.769 -10.001 5.699 487 1HG GLU 65 2HG GLU 65 2.308 -9.497 4.009 488 2HG GLU 65 3HG GLU 65 3.439 -10.770 3.547 489 H LYS 66 H LYS 66 6.039 -6.863 5.313 490 HA LYS 66 HA LYS 66 7.060 -7.492 7.944 491 1HB LYS 66 2HB LYS 66 8.228 -7.424 5.642 492 2HB LYS 66 3HB LYS 66 8.379 -5.689 5.928 493 1HG LYS 66 2HG LYS 66 9.780 -5.999 7.804 494 2HG LYS 66 3HG LYS 66 9.246 -7.642 8.115 495 1HD LYS 66 2HD LYS 66 10.789 -6.850 5.627 496 2HD LYS 66 3HD LYS 66 11.608 -7.347 7.106 497 1HE LYS 66 2HE LYS 66 9.625 -9.105 5.539 498 2HE LYS 66 3HE LYS 66 11.378 -9.187 5.403 499 1HZ LYS 66 1HZ LYS 66 9.855 -9.712 7.865 500 2HZ LYS 66 2HZ LYS 66 10.523 -10.836 6.877 501 3HZ LYS 66 3HZ LYS 66 11.494 -9.804 7.709 502 H LEU 67 H LEU 67 5.660 -4.640 6.326 503 HA LEU 67 HA LEU 67 6.104 -2.752 8.402 504 1HB LEU 67 2HB LEU 67 4.033 -3.206 6.241 505 2HB LEU 67 3HB LEU 67 3.648 -2.077 7.509 506 HG LEU 67 HG LEU 67 4.500 -1.018 5.548 507 1HD1 LEU 67 1HD1 LEU 67 6.567 -0.716 7.751 508 2HD1 LEU 67 2HD1 LEU 67 5.986 0.527 6.630 509 3HD1 LEU 67 3HD1 LEU 67 4.902 -0.099 7.886 510 1HD2 LEU 67 1HD2 LEU 67 7.108 -2.500 5.946 511 2HD2 LEU 67 2HD2 LEU 67 6.007 -2.509 4.540 512 3HD2 LEU 67 3HD2 LEU 67 6.907 -1.053 4.941 513 H GLY 68 H GLY 68 4.160 -5.679 8.300 514 1HA GLY 68 2HA GLY 68 3.681 -6.789 10.305 515 2HA GLY 68 3HA GLY 68 3.482 -5.258 11.164 516 H TYR 69 H TYR 69 2.073 -5.915 7.927 517 HA TYR 69 HA TYR 69 -0.656 -6.296 9.078 518 1HB TYR 69 2HB TYR 69 0.114 -4.081 7.127 519 2HB TYR 69 3HB TYR 69 -1.506 -4.431 7.718 520 HD1 TYR 69 HD1 TYR 69 -2.278 -3.491 9.795 521 HD2 TYR 69 HD2 TYR 69 1.838 -3.131 8.643 522 HE1 TYR 69 HE1 TYR 69 -1.920 -1.817 11.591 523 HE2 TYR 69 HE2 TYR 69 2.231 -1.534 10.477 524 HH TYR 69 HH TYR 69 -0.318 -0.667 12.826 525 H HIS 70 H HIS 70 -2.182 -6.775 7.305 526 HA HIS 70 HA HIS 70 -0.780 -8.061 4.976 527 1HB HIS 70 2HB HIS 70 -1.357 -9.995 5.921 528 2HB HIS 70 3HB HIS 70 -2.509 -9.258 7.027 529 HD1 HIS 70 1HD HIS 70 -2.643 -9.817 3.132 530 HD2 HIS 70 2HD HIS 70 -4.875 -9.954 6.694 531 HE1 HIS 70 1HE HIS 70 -4.952 -10.616 2.492 532 H VAL 71 H VAL 71 -1.406 -7.228 3.162 533 HA VAL 71 HA VAL 71 -3.962 -5.709 3.011 534 HB VAL 71 HB VAL 71 -1.887 -4.618 2.285 535 1HG1 VAL 71 1HG1 VAL 71 -0.876 -5.167 0.133 536 2HG1 VAL 71 2HG1 VAL 71 -0.723 -6.550 1.231 537 3HG1 VAL 71 3HG1 VAL 71 -1.952 -6.562 -0.060 538 1HG2 VAL 71 1HG2 VAL 71 -3.965 -4.939 0.122 539 2HG2 VAL 71 2HG2 VAL 71 -4.007 -3.821 1.511 540 3HG2 VAL 71 3HG2 VAL 71 -2.762 -3.641 0.283 541 H VAL 72 H VAL 72 -5.625 -6.257 1.577 542 HA VAL 72 HA VAL 72 -5.505 -9.070 0.498 543 HB VAL 72 HB VAL 72 -7.973 -8.801 0.207 544 1HG1 VAL 72 1HG1 VAL 72 -7.193 -10.103 2.097 545 2HG1 VAL 72 2HG1 VAL 72 -6.982 -8.614 3.066 546 3HG1 VAL 72 3HG1 VAL 72 -8.602 -9.127 2.553 547 1HG2 VAL 72 1HG2 VAL 72 -8.016 -6.263 0.420 548 2HG2 VAL 72 2HG2 VAL 72 -9.213 -7.158 1.376 549 3HG2 VAL 72 3HG2 VAL 72 -7.765 -6.528 2.173 550 H ILE 73 H ILE 73 -6.318 -9.373 -1.683 551 HA ILE 73 HA ILE 73 -6.404 -6.925 -3.394 552 HB ILE 73 HB ILE 73 -5.197 -9.620 -4.131 553 1HG1 ILE 73 2HG1 ILE 73 -3.740 -8.502 -2.476 554 2HG1 ILE 73 3HG1 ILE 73 -3.028 -8.660 -4.068 555 1HG2 ILE 73 1HG2 ILE 73 -4.351 -8.358 -6.116 556 2HG2 ILE 73 2HG2 ILE 73 -6.115 -8.447 -6.069 557 3HG2 ILE 73 3HG2 ILE 73 -5.300 -6.947 -5.602 558 1HD1 ILE 73 1HD1 ILE 73 -4.346 -6.068 -3.138 559 2HD1 ILE 73 2HD1 ILE 73 -2.636 -6.439 -2.909 560 3HD1 ILE 73 3HD1 ILE 73 -3.298 -6.311 -4.545 561 H GLU 74 H GLU 74 -8.635 -6.962 -2.990 562 HA GLU 74 HA GLU 74 -10.099 -8.781 -4.798 563 1HB GLU 74 2HB GLU 74 -10.452 -9.466 -2.356 564 2HB GLU 74 3HB GLU 74 -11.081 -7.838 -2.048 565 1HG GLU 74 2HG GLU 74 -12.930 -9.358 -2.356 566 2HG GLU 74 3HG GLU 74 -12.883 -8.301 -3.774 567 H GLY 75 H GLY 75 -11.346 -7.434 -6.187 568 1HA GLY 75 2HA GLY 75 -12.513 -5.000 -5.632 569 2HA GLY 75 3HA GLY 75 -10.836 -4.555 -5.973 570 H ARG 76 H ARG 76 -9.931 -5.793 -8.128 571 HA ARG 76 HA ARG 76 -11.735 -6.152 -10.264 572 1HB ARG 76 2HB ARG 76 -11.171 -3.393 -9.674 573 2HB ARG 76 3HB ARG 76 -10.019 -3.845 -10.917 574 1HG ARG 76 2HG ARG 76 -11.853 -3.010 -12.081 575 2HG ARG 76 3HG ARG 76 -11.969 -4.767 -12.285 576 1HD ARG 76 2HD ARG 76 -13.766 -4.897 -10.650 577 2HD ARG 76 3HD ARG 76 -13.405 -3.260 -10.076 578 HE ARG 76 HE ARG 76 -14.213 -3.532 -12.903 579 1HH1 ARG 76 2HH2 ARG 76 -15.369 -2.942 -9.633 580 2HH1 ARG 76 1HH2 ARG 76 -16.607 -1.807 -10.082 581 1HH2 ARG 76 2HH1 ARG 76 -15.861 -2.043 -13.565 582 2HH2 ARG 76 1HH1 ARG 76 -16.927 -1.338 -12.395 Start of MODEL 29 1 1H MET 1 H1 MET 1 -0.121 -3.361 -24.106 2 2H MET 1 H2 MET 1 0.010 -3.098 -25.728 3 3H MET 1 H3 MET 1 1.076 -4.097 -24.960 4 HA MET 1 HA MET 1 2.099 -2.022 -25.465 5 1HB MET 1 2HB MET 1 -0.197 -0.929 -23.796 6 2HB MET 1 3HB MET 1 1.319 -0.047 -24.035 7 1HG MET 1 2HG MET 1 1.049 -0.095 -26.457 8 2HG MET 1 3HG MET 1 -0.454 -1.024 -26.310 9 1HE MET 1 1HE MET 1 -1.642 2.427 -27.664 10 2HE MET 1 2HE MET 1 -0.099 1.628 -28.039 11 3HE MET 1 3HE MET 1 -1.600 0.671 -27.944 12 H LEU 2 H LEU 2 0.727 -2.352 -22.131 13 HA LEU 2 HA LEU 2 1.669 -2.829 -20.174 14 1HB LEU 2 2HB LEU 2 3.509 -4.388 -21.916 15 2HB LEU 2 3HB LEU 2 4.319 -3.711 -20.527 16 HG LEU 2 HG LEU 2 2.347 -4.680 -19.122 17 1HD1 LEU 2 1HD1 LEU 2 0.879 -5.195 -21.089 18 2HD1 LEU 2 2HD1 LEU 2 2.100 -6.345 -21.676 19 3HD1 LEU 2 3HD1 LEU 2 1.262 -6.645 -20.141 20 1HD2 LEU 2 1HD2 LEU 2 4.379 -6.474 -20.505 21 2HD2 LEU 2 2HD2 LEU 2 4.626 -5.526 -19.022 22 3HD2 LEU 2 3HD2 LEU 2 3.478 -6.874 -19.024 23 H SER 3 H SER 3 4.033 -2.275 -19.014 24 HA SER 3 HA SER 3 5.149 -0.531 -18.121 25 1HB SER 3 2HB SER 3 4.828 1.035 -20.718 26 2HB SER 3 3HB SER 3 6.048 1.240 -19.457 27 HG SER 3 HG SER 3 6.711 -0.966 -19.970 28 H GLU 4 H GLU 4 4.638 2.270 -18.275 29 HA GLU 4 HA GLU 4 3.420 3.855 -17.588 30 1HB GLU 4 2HB GLU 4 0.891 2.441 -18.468 31 2HB GLU 4 3HB GLU 4 1.291 4.165 -18.305 32 1HG GLU 4 2HG GLU 4 3.014 3.893 -20.116 33 2HG GLU 4 3HG GLU 4 2.382 2.256 -20.395 34 H GLN 5 H GLN 5 2.696 4.606 -15.684 35 HA GLN 5 HA GLN 5 2.384 2.592 -13.599 36 1HB GLN 5 2HB GLN 5 2.490 4.468 -12.072 37 2HB GLN 5 3HB GLN 5 3.866 4.448 -13.203 38 1HG GLN 5 2HG GLN 5 2.836 6.296 -14.495 39 2HG GLN 5 3HG GLN 5 1.396 6.242 -13.464 40 1HE2 GLN 5 1HE2 GLN 5 4.008 5.602 -11.464 41 2HE2 GLN 5 2HE2 GLN 5 4.199 7.166 -10.792 42 H LYS 6 H LYS 6 0.718 2.568 -11.986 43 HA LYS 6 HA LYS 6 -1.750 3.960 -12.686 44 1HB LYS 6 2HB LYS 6 -1.314 1.470 -13.756 45 2HB LYS 6 3HB LYS 6 -2.089 0.996 -12.256 46 1HG LYS 6 2HG LYS 6 -3.351 3.177 -13.924 47 2HG LYS 6 3HG LYS 6 -3.322 1.545 -14.561 48 1HD LYS 6 2HD LYS 6 -4.632 0.650 -12.785 49 2HD LYS 6 3HD LYS 6 -4.330 2.036 -11.755 50 1HE LYS 6 2HE LYS 6 -5.653 3.456 -13.480 51 2HE LYS 6 3HE LYS 6 -6.132 1.913 -14.202 52 1HZ LYS 6 1HZ LYS 6 -7.003 1.397 -11.872 53 2HZ LYS 6 2HZ LYS 6 -6.810 2.997 -11.533 54 3HZ LYS 6 3HZ LYS 6 -7.803 2.577 -12.706 55 H GLU 7 H GLU 7 -3.282 3.878 -11.190 56 HA GLU 7 HA GLU 7 -2.534 3.801 -8.376 57 1HB GLU 7 2HB GLU 7 -5.110 4.401 -8.279 58 2HB GLU 7 3HB GLU 7 -3.958 5.621 -8.797 59 1HG GLU 7 2HG GLU 7 -4.689 5.635 -10.983 60 2HG GLU 7 3HG GLU 7 -5.129 3.922 -10.966 61 H ILE 8 H ILE 8 -2.524 1.843 -7.393 62 HA ILE 8 HA ILE 8 -4.776 -0.066 -7.881 63 HB ILE 8 HB ILE 8 -1.998 -0.443 -7.169 64 1HG1 ILE 8 2HG1 ILE 8 -2.659 -2.869 -7.396 65 2HG1 ILE 8 3HG1 ILE 8 -4.336 -2.350 -7.582 66 1HG2 ILE 8 1HG2 ILE 8 -2.144 -1.937 -5.275 67 2HG2 ILE 8 2HG2 ILE 8 -2.676 -0.325 -4.806 68 3HG2 ILE 8 3HG2 ILE 8 -3.872 -1.616 -5.086 69 1HD1 ILE 8 1HD1 ILE 8 -1.990 -1.550 -9.378 70 2HD1 ILE 8 2HD1 ILE 8 -3.227 -2.764 -9.760 71 3HD1 ILE 8 3HD1 ILE 8 -3.678 -1.056 -9.628 72 H ALA 9 H ALA 9 -6.089 -0.611 -6.092 73 HA ALA 9 HA ALA 9 -5.966 1.035 -3.679 74 1HB ALA 9 1HB ALA 9 -8.342 1.651 -3.831 75 2HB ALA 9 2HB ALA 9 -7.422 2.363 -5.172 76 3HB ALA 9 3HB ALA 9 -8.437 0.931 -5.453 77 H MET 10 H MET 10 -6.377 -0.293 -1.929 78 HA MET 10 HA MET 10 -7.945 -2.748 -2.271 79 1HB MET 10 2HB MET 10 -6.060 -4.244 -1.811 80 2HB MET 10 3HB MET 10 -5.856 -3.379 -3.331 81 1HG MET 10 2HG MET 10 -4.434 -1.682 -2.037 82 2HG MET 10 3HG MET 10 -4.534 -2.826 -0.685 83 1HE MET 10 1HE MET 10 -1.849 -2.336 -0.811 84 2HE MET 10 2HE MET 10 -0.857 -2.858 -2.187 85 3HE MET 10 3HE MET 10 -1.951 -1.472 -2.362 86 H GLN 11 H GLN 11 -7.748 -4.107 -0.123 87 HA GLN 11 HA GLN 11 -8.203 -2.112 2.029 88 1HB GLN 11 2HB GLN 11 -9.359 -4.827 2.334 89 2HB GLN 11 3HB GLN 11 -9.916 -3.261 2.860 90 1HG GLN 11 2HG GLN 11 -11.510 -3.824 1.317 91 2HG GLN 11 3HG GLN 11 -10.449 -2.832 0.314 92 1HE2 GLN 11 1HE2 GLN 11 -9.224 -3.950 -1.345 93 2HE2 GLN 11 2HE2 GLN 11 -9.361 -5.656 -1.672 94 H VAL 12 H VAL 12 -7.417 -2.551 4.111 95 HA VAL 12 HA VAL 12 -5.219 -4.571 4.185 96 HB VAL 12 HB VAL 12 -4.964 -2.086 5.822 97 1HG1 VAL 12 1HG1 VAL 12 -2.601 -2.387 5.245 98 2HG1 VAL 12 2HG1 VAL 12 -3.257 -3.869 5.957 99 3HG1 VAL 12 3HG1 VAL 12 -3.012 -3.750 4.195 100 1HG2 VAL 12 1HG2 VAL 12 -4.469 -2.197 2.824 101 2HG2 VAL 12 2HG2 VAL 12 -5.569 -1.081 3.678 102 3HG2 VAL 12 3HG2 VAL 12 -3.830 -0.939 3.921 103 H SER 13 H SER 13 -4.659 -5.410 6.270 104 HA SER 13 HA SER 13 -6.903 -5.373 8.240 105 1HB SER 13 2HB SER 13 -6.439 -7.489 6.815 106 2HB SER 13 3HB SER 13 -4.944 -7.629 7.760 107 HG SER 13 HG SER 13 -6.873 -8.745 8.609 108 H GLY 14 H GLY 14 -6.297 -4.550 10.157 109 1HA GLY 14 2HA GLY 14 -4.885 -4.859 12.074 110 2HA GLY 14 3HA GLY 14 -3.446 -4.743 11.071 111 H MET 15 H MET 15 -5.260 -2.326 9.724 112 HA MET 15 HA MET 15 -3.864 -0.235 10.988 113 1HB MET 15 2HB MET 15 -5.533 1.250 9.948 114 2HB MET 15 3HB MET 15 -4.795 0.108 8.808 115 1HG MET 15 2HG MET 15 -7.375 -0.767 10.025 116 2HG MET 15 3HG MET 15 -7.490 0.636 8.984 117 1HE MET 15 1HE MET 15 -6.873 -0.748 5.512 118 2HE MET 15 2HE MET 15 -7.570 0.540 6.489 119 3HE MET 15 3HE MET 15 -5.804 0.276 6.512 120 H THR 16 H THR 16 -4.210 0.978 12.838 121 HA THR 16 HA THR 16 -6.727 0.521 14.381 122 HB THR 16 HB THR 16 -5.289 1.302 16.289 123 HG1 THR 16 1HG THR 16 -3.008 1.125 15.831 124 1HG2 THR 16 1HG2 THR 16 -4.206 -1.138 14.805 125 2HG2 THR 16 2HG2 THR 16 -4.129 -0.827 16.548 126 3HG2 THR 16 3HG2 THR 16 -5.694 -1.131 15.772 127 H CYS 17 H CYS 17 -6.234 2.413 12.061 128 HA CYS 17 HA CYS 17 -7.328 4.275 11.472 129 1HB CYS 17 2HB CYS 17 -8.824 3.782 13.545 130 2HB CYS 17 3HB CYS 17 -7.947 5.135 14.296 131 HG CYS 17 HG CYS 17 -9.578 5.019 11.419 132 H ALA 18 H ALA 18 -7.122 6.911 12.144 133 HA ALA 18 HA ALA 18 -5.698 8.641 12.063 134 1HB ALA 18 1HB ALA 18 -5.649 8.071 14.501 135 2HB ALA 18 2HB ALA 18 -4.160 7.146 14.233 136 3HB ALA 18 3HB ALA 18 -4.194 8.903 13.947 137 H ALA 19 H ALA 19 -2.701 8.334 12.698 138 HA ALA 19 HA ALA 19 -1.938 7.931 9.921 139 1HB ALA 19 1HB ALA 19 0.233 8.765 10.679 140 2HB ALA 19 2HB ALA 19 -1.070 9.783 11.318 141 3HB ALA 19 3HB ALA 19 -0.269 8.600 12.376 142 H CYS 20 H CYS 20 -2.729 5.462 11.792 143 HA CYS 20 HA CYS 20 -0.181 4.055 12.064 144 1HB CYS 20 2HB CYS 20 -3.060 3.160 12.433 145 2HB CYS 20 3HB CYS 20 -1.644 2.117 12.675 146 HG CYS 20 HG CYS 20 -2.676 3.151 14.948 147 H ALA 21 H ALA 21 -3.122 3.485 10.083 148 HA ALA 21 HA ALA 21 -2.100 1.651 8.263 149 1HB ALA 21 1HB ALA 21 -3.986 3.957 7.714 150 2HB ALA 21 2HB ALA 21 -3.807 2.493 6.713 151 3HB ALA 21 3HB ALA 21 -4.456 2.377 8.361 152 H ALA 22 H ALA 22 -1.877 5.184 8.214 153 HA ALA 22 HA ALA 22 -0.712 5.634 5.723 154 1HB ALA 22 1HB ALA 22 -0.105 7.063 8.340 155 2HB ALA 22 2HB ALA 22 0.177 7.694 6.702 156 3HB ALA 22 3HB ALA 22 -1.483 7.396 7.277 157 H ARG 23 H ARG 23 0.903 4.475 8.728 158 HA ARG 23 HA ARG 23 3.623 4.709 7.820 159 1HB ARG 23 2HB ARG 23 2.363 2.686 9.709 160 2HB ARG 23 3HB ARG 23 4.080 2.969 9.517 161 1HG ARG 23 2HG ARG 23 2.467 5.415 10.142 162 2HG ARG 23 3HG ARG 23 2.509 4.181 11.408 163 1HD ARG 23 2HD ARG 23 4.928 4.201 11.444 164 2HD ARG 23 3HD ARG 23 4.986 5.302 10.039 165 HE ARG 23 HE ARG 23 3.416 6.537 12.030 166 1HH1 ARG 23 2HH2 ARG 23 6.754 5.510 11.606 167 2HH1 ARG 23 1HH2 ARG 23 7.456 6.773 12.568 168 1HH2 ARG 23 2HH1 ARG 23 4.297 8.258 13.316 169 2HH2 ARG 23 1HH1 ARG 23 6.007 8.380 13.566 170 H ILE 24 H ILE 24 1.113 2.235 7.414 171 HA ILE 24 HA ILE 24 2.732 0.090 6.523 172 HB ILE 24 HB ILE 24 -0.130 0.719 5.646 173 1HG1 ILE 24 2HG1 ILE 24 0.780 -0.864 8.062 174 2HG1 ILE 24 3HG1 ILE 24 0.039 0.726 8.140 175 1HG2 ILE 24 1HG2 ILE 24 1.415 -1.895 5.789 176 2HG2 ILE 24 2HG2 ILE 24 -0.276 -1.704 5.276 177 3HG2 ILE 24 3HG2 ILE 24 1.002 -0.973 4.326 178 1HD1 ILE 24 1HD1 ILE 24 -1.292 -1.843 7.246 179 2HD1 ILE 24 2HD1 ILE 24 -1.748 -0.746 8.556 180 3HD1 ILE 24 3HD1 ILE 24 -1.967 -0.245 6.872 181 H GLU 25 H GLU 25 0.798 2.492 4.671 182 HA GLU 25 HA GLU 25 1.925 1.550 2.219 183 1HB GLU 25 2HB GLU 25 -0.214 3.315 2.931 184 2HB GLU 25 3HB GLU 25 0.892 4.268 1.952 185 1HG GLU 25 2HG GLU 25 -0.537 1.681 1.227 186 2HG GLU 25 3HG GLU 25 -0.678 3.289 0.472 187 H LYS 26 H LYS 26 2.659 4.373 4.396 188 HA LYS 26 HA LYS 26 4.417 5.783 2.785 189 1HB LYS 26 2HB LYS 26 4.160 5.301 5.738 190 2HB LYS 26 3HB LYS 26 5.556 6.150 5.153 191 1HG LYS 26 2HG LYS 26 2.881 7.084 4.088 192 2HG LYS 26 3HG LYS 26 3.262 7.427 5.776 193 1HD LYS 26 2HD LYS 26 5.398 8.450 5.192 194 2HD LYS 26 3HD LYS 26 5.156 8.089 3.472 195 1HE LYS 26 2HE LYS 26 3.301 9.646 3.332 196 2HE LYS 26 3HE LYS 26 3.235 9.833 5.091 197 1HZ LYS 26 1HZ LYS 26 5.498 10.717 3.419 198 2HZ LYS 26 2HZ LYS 26 4.318 11.691 4.023 199 3HZ LYS 26 3HZ LYS 26 5.343 10.920 5.043 200 H GLY 27 H GLY 27 5.082 2.802 4.668 201 1HA GLY 27 2HA GLY 27 7.851 2.531 4.133 202 2HA GLY 27 3HA GLY 27 6.678 1.213 4.276 203 H LEU 28 H LEU 28 5.018 1.608 2.087 204 HA LEU 28 HA LEU 28 6.632 0.598 -0.103 205 1HB LEU 28 2HB LEU 28 3.725 1.380 0.040 206 2HB LEU 28 3HB LEU 28 4.495 0.557 -1.310 207 HG LEU 28 HG LEU 28 4.319 -0.580 1.506 208 1HD1 LEU 28 1HD1 LEU 28 2.622 -2.043 0.237 209 2HD1 LEU 28 2HD1 LEU 28 2.144 -0.427 0.779 210 3HD1 LEU 28 3HD1 LEU 28 2.524 -0.709 -0.916 211 1HD2 LEU 28 1HD2 LEU 28 5.450 -1.691 -1.096 212 2HD2 LEU 28 2HD2 LEU 28 6.174 -1.604 0.502 213 3HD2 LEU 28 3HD2 LEU 28 4.847 -2.734 0.205 214 H LYS 29 H LYS 29 5.237 3.772 0.744 215 HA LYS 29 HA LYS 29 5.760 4.979 -1.789 216 1HB LYS 29 2HB LYS 29 4.318 6.031 -0.310 217 2HB LYS 29 3HB LYS 29 5.534 6.254 0.934 218 1HG LYS 29 2HG LYS 29 6.833 7.802 -0.449 219 2HG LYS 29 3HG LYS 29 5.726 7.535 -1.794 220 1HD LYS 29 2HD LYS 29 5.254 9.094 0.762 221 2HD LYS 29 3HD LYS 29 5.118 9.618 -0.928 222 1HE LYS 29 2HE LYS 29 3.252 7.814 -1.080 223 2HE LYS 29 3HE LYS 29 3.236 7.866 0.694 224 1HZ LYS 29 1HZ LYS 29 2.680 10.295 0.420 225 2HZ LYS 29 2HZ LYS 29 2.498 10.022 -1.196 226 3HZ LYS 29 3HZ LYS 29 1.529 9.269 -0.178 227 H ARG 30 H ARG 30 7.975 3.709 0.533 228 HA ARG 30 HA ARG 30 10.259 5.100 -0.783 229 1HB ARG 30 2HB ARG 30 9.742 3.886 1.882 230 2HB ARG 30 3HB ARG 30 11.322 3.513 1.205 231 1HG ARG 30 2HG ARG 30 11.868 5.828 0.935 232 2HG ARG 30 3HG ARG 30 10.198 6.341 1.247 233 1HD ARG 30 2HD ARG 30 10.289 5.704 3.538 234 2HD ARG 30 3HD ARG 30 11.829 4.880 3.371 235 HE ARG 30 HE ARG 30 11.304 7.765 3.606 236 1HH1 ARG 30 2HH2 ARG 30 13.675 5.363 2.596 237 2HH1 ARG 30 1HH2 ARG 30 15.062 6.383 2.817 238 1HH2 ARG 30 2HH1 ARG 30 13.112 9.198 3.819 239 2HH2 ARG 30 1HH1 ARG 30 14.718 8.635 3.492 240 H MET 31 H MET 31 8.426 2.484 -1.674 241 HA MET 31 HA MET 31 10.692 0.722 -2.229 242 1HB MET 31 2HB MET 31 7.723 0.542 -2.785 243 2HB MET 31 3HB MET 31 8.861 -0.554 -3.549 244 1HG MET 31 2HG MET 31 8.780 -0.116 -0.547 245 2HG MET 31 3HG MET 31 7.872 -1.393 -1.365 246 1HE MET 31 1HE MET 31 8.863 -3.566 -2.327 247 2HE MET 31 2HE MET 31 9.759 -2.622 -3.540 248 3HE MET 31 3HE MET 31 10.602 -3.847 -2.576 249 HA PRO 32 HA PRO 32 11.837 2.747 -5.925 250 1HB PRO 32 2HB PRO 32 13.228 0.808 -7.253 251 2HB PRO 32 3HB PRO 32 13.799 1.520 -5.717 252 1HG PRO 32 2HG PRO 32 12.246 -1.066 -6.076 253 2HG PRO 32 3HG PRO 32 13.766 -0.828 -5.168 254 1HD PRO 32 2HD PRO 32 11.372 -0.795 -3.916 255 2HD PRO 32 3HD PRO 32 12.640 0.378 -3.449 256 H GLY 33 H GLY 33 9.732 3.140 -6.867 257 1HA GLY 33 2HA GLY 33 9.162 2.672 -9.416 258 2HA GLY 33 3HA GLY 33 8.636 1.153 -8.787 259 H VAL 34 H VAL 34 7.955 2.801 -6.126 260 HA VAL 34 HA VAL 34 5.230 3.481 -6.771 261 HB VAL 34 HB VAL 34 6.266 2.681 -4.579 262 1HG1 VAL 34 1HG1 VAL 34 8.074 4.629 -4.821 263 2HG1 VAL 34 2HG1 VAL 34 6.847 5.595 -3.997 264 3HG1 VAL 34 3HG1 VAL 34 7.505 4.116 -3.255 265 1HG2 VAL 34 1HG2 VAL 34 3.932 3.591 -4.862 266 2HG2 VAL 34 2HG2 VAL 34 4.612 3.730 -3.243 267 3HG2 VAL 34 3HG2 VAL 34 4.529 5.162 -4.290 268 H THR 35 H THR 35 4.303 5.585 -6.645 269 HA THR 35 HA THR 35 6.194 7.902 -6.929 270 HB THR 35 HB THR 35 3.593 8.554 -8.008 271 HG1 THR 35 1HG THR 35 3.562 6.229 -8.374 272 1HG2 THR 35 1HG2 THR 35 6.291 8.155 -9.376 273 2HG2 THR 35 2HG2 THR 35 4.904 9.064 -10.018 274 3HG2 THR 35 3HG2 THR 35 5.751 9.651 -8.576 275 H ASP 36 H ASP 36 2.840 6.983 -5.924 276 HA ASP 36 HA ASP 36 3.192 8.632 -3.532 277 1HB ASP 36 2HB ASP 36 2.273 10.305 -5.099 278 2HB ASP 36 3HB ASP 36 0.947 9.199 -5.521 279 H ALA 37 H ALA 37 1.457 8.348 -2.064 280 HA ALA 37 HA ALA 37 -0.172 5.904 -2.237 281 1HB ALA 37 1HB ALA 37 2.038 5.336 -1.098 282 2HB ALA 37 2HB ALA 37 1.575 6.479 0.185 283 3HB ALA 37 3HB ALA 37 0.550 5.090 -0.145 284 H ASN 38 H ASN 38 -2.125 6.250 -1.249 285 HA ASN 38 HA ASN 38 -2.576 8.649 0.426 286 1HB ASN 38 2HB ASN 38 -3.334 8.343 -2.416 287 2HB ASN 38 3HB ASN 38 -4.738 8.547 -1.369 288 1HD2 ASN 38 1HD2 ASN 38 -1.746 10.234 -2.578 289 2HD2 ASN 38 2HD2 ASN 38 -2.281 11.752 -1.912 290 H VAL 39 H VAL 39 -3.491 7.841 2.194 291 HA VAL 39 HA VAL 39 -4.858 5.266 2.174 292 HB VAL 39 HB VAL 39 -3.162 5.941 3.836 293 1HG1 VAL 39 1HG1 VAL 39 -3.852 8.320 4.180 294 2HG1 VAL 39 2HG1 VAL 39 -5.324 7.753 4.996 295 3HG1 VAL 39 3HG1 VAL 39 -3.732 7.405 5.690 296 1HG2 VAL 39 1HG2 VAL 39 -5.895 5.237 4.938 297 2HG2 VAL 39 2HG2 VAL 39 -4.689 4.102 4.298 298 3HG2 VAL 39 3HG2 VAL 39 -4.344 5.024 5.772 299 H ASN 40 H ASN 40 -6.992 4.779 2.679 300 HA ASN 40 HA ASN 40 -8.906 6.999 2.931 301 1HB ASN 40 2HB ASN 40 -8.736 6.186 0.540 302 2HB ASN 40 3HB ASN 40 -9.312 4.605 1.084 303 1HD2 ASN 40 1HD2 ASN 40 -11.147 5.137 -0.478 304 2HD2 ASN 40 2HD2 ASN 40 -12.489 6.037 0.201 305 H LEU 41 H LEU 41 -8.485 6.176 5.209 306 HA LEU 41 HA LEU 41 -9.540 3.611 5.953 307 1HB LEU 41 2HB LEU 41 -9.166 6.076 7.698 308 2HB LEU 41 3HB LEU 41 -9.437 4.414 8.232 309 HG LEU 41 HG LEU 41 -7.005 5.591 6.867 310 1HD1 LEU 41 1HD1 LEU 41 -7.262 3.808 9.316 311 2HD1 LEU 41 2HD1 LEU 41 -5.834 4.730 8.820 312 3HD1 LEU 41 3HD1 LEU 41 -7.269 5.595 9.396 313 1HD2 LEU 41 1HD2 LEU 41 -7.695 2.639 7.221 314 2HD2 LEU 41 2HD2 LEU 41 -7.362 3.449 5.668 315 3HD2 LEU 41 3HD2 LEU 41 -6.075 3.231 6.834 316 H ALA 42 H ALA 42 -11.183 6.443 5.073 317 HA ALA 42 HA ALA 42 -13.662 6.099 6.470 318 1HB ALA 42 1HB ALA 42 -13.192 7.054 3.615 319 2HB ALA 42 2HB ALA 42 -14.637 7.329 4.599 320 3HB ALA 42 3HB ALA 42 -13.098 8.088 5.059 321 H THR 43 H THR 43 -12.021 4.250 3.982 322 HA THR 43 HA THR 43 -14.345 2.392 3.784 323 HB THR 43 HB THR 43 -12.331 3.185 1.630 324 HG1 THR 43 1HG THR 43 -14.855 4.199 2.325 325 1HG2 THR 43 1HG2 THR 43 -14.952 1.641 1.527 326 2HG2 THR 43 2HG2 THR 43 -14.123 2.313 0.102 327 3HG2 THR 43 3HG2 THR 43 -13.335 1.056 1.059 328 H GLU 44 H GLU 44 -11.786 2.555 5.575 329 HA GLU 44 HA GLU 44 -9.937 1.337 6.131 330 1HB GLU 44 2HB GLU 44 -11.912 -0.903 5.563 331 2HB GLU 44 3HB GLU 44 -10.455 -1.030 6.556 332 1HG GLU 44 2HG GLU 44 -11.331 0.737 8.078 333 2HG GLU 44 3HG GLU 44 -12.824 0.816 7.125 334 H THR 45 H THR 45 -9.566 2.240 3.558 335 HA THR 45 HA THR 45 -8.298 -0.013 2.102 336 HB THR 45 HB THR 45 -10.375 1.999 1.144 337 HG1 THR 45 1HG THR 45 -11.135 0.007 1.943 338 1HG2 THR 45 1HG2 THR 45 -8.773 0.177 -0.682 339 2HG2 THR 45 2HG2 THR 45 -10.139 1.194 -1.128 340 3HG2 THR 45 3HG2 THR 45 -8.626 1.950 -0.621 341 H VAL 46 H VAL 46 -6.608 0.664 0.730 342 HA VAL 46 HA VAL 46 -5.834 3.536 0.943 343 HB VAL 46 HB VAL 46 -4.600 2.362 2.634 344 1HG1 VAL 46 1HG1 VAL 46 -3.026 0.522 2.122 345 2HG1 VAL 46 2HG1 VAL 46 -4.676 0.031 1.702 346 3HG1 VAL 46 3HG1 VAL 46 -3.545 0.508 0.430 347 1HG2 VAL 46 1HG2 VAL 46 -3.411 4.107 1.164 348 2HG2 VAL 46 2HG2 VAL 46 -2.380 2.960 2.015 349 3HG2 VAL 46 3HG2 VAL 46 -2.736 2.745 0.274 350 H ASN 47 H ASN 47 -4.678 4.337 -0.851 351 HA ASN 47 HA ASN 47 -4.530 2.490 -3.140 352 1HB ASN 47 2HB ASN 47 -5.469 3.981 -4.640 353 2HB ASN 47 3HB ASN 47 -6.464 4.280 -3.222 354 1HD2 ASN 47 1HD2 ASN 47 -3.678 5.480 -5.161 355 2HD2 ASN 47 2HD2 ASN 47 -3.847 7.148 -4.656 356 H VAL 48 H VAL 48 -2.904 2.895 -4.651 357 HA VAL 48 HA VAL 48 -0.799 4.773 -3.943 358 HB VAL 48 HB VAL 48 -0.337 2.974 -2.391 359 1HG1 VAL 48 1HG1 VAL 48 -1.429 1.088 -3.360 360 2HG1 VAL 48 2HG1 VAL 48 -0.396 1.131 -4.806 361 3HG1 VAL 48 3HG1 VAL 48 0.284 0.687 -3.229 362 1HG2 VAL 48 1HG2 VAL 48 1.626 4.043 -3.257 363 2HG2 VAL 48 2HG2 VAL 48 1.958 2.322 -3.111 364 3HG2 VAL 48 3HG2 VAL 48 1.629 3.016 -4.710 365 H ILE 49 H ILE 49 0.373 5.375 -5.613 366 HA ILE 49 HA ILE 49 -0.331 4.317 -8.300 367 HB ILE 49 HB ILE 49 0.821 6.982 -7.420 368 1HG1 ILE 49 2HG1 ILE 49 -1.839 6.490 -8.799 369 2HG1 ILE 49 3HG1 ILE 49 -1.727 6.459 -7.034 370 1HG2 ILE 49 1HG2 ILE 49 1.678 6.254 -9.662 371 2HG2 ILE 49 2HG2 ILE 49 0.018 5.968 -10.196 372 3HG2 ILE 49 3HG2 ILE 49 0.575 7.610 -9.826 373 1HD1 ILE 49 1HD1 ILE 49 -0.854 8.729 -6.982 374 2HD1 ILE 49 2HD1 ILE 49 -0.888 8.824 -8.755 375 3HD1 ILE 49 3HD1 ILE 49 -2.404 8.672 -7.843 376 H TYR 50 H TYR 50 1.141 2.886 -8.979 377 HA TYR 50 HA TYR 50 4.027 3.451 -8.632 378 1HB TYR 50 2HB TYR 50 4.405 0.982 -8.215 379 2HB TYR 50 3HB TYR 50 3.764 1.868 -6.867 380 HD1 TYR 50 HD1 TYR 50 1.929 0.868 -5.720 381 HD2 TYR 50 HD2 TYR 50 2.611 -0.211 -9.840 382 HE1 TYR 50 HE1 TYR 50 0.355 -1.023 -5.501 383 HE2 TYR 50 HE2 TYR 50 1.033 -2.074 -9.617 384 HH TYR 50 HH TYR 50 -0.484 -2.909 -6.505 385 H ASP 51 H ASP 51 5.386 2.053 -10.007 386 HA ASP 51 HA ASP 51 4.166 1.856 -12.676 387 1HB ASP 51 2HB ASP 51 6.070 3.354 -12.233 388 2HB ASP 51 3HB ASP 51 7.070 1.963 -11.851 389 HA PRO 52 HA PRO 52 4.455 -2.617 -11.931 390 1HB PRO 52 2HB PRO 52 3.264 -3.561 -14.137 391 2HB PRO 52 3HB PRO 52 2.365 -2.618 -12.914 392 1HG PRO 52 2HG PRO 52 3.593 -1.581 -15.489 393 2HG PRO 52 3HG PRO 52 1.911 -1.358 -14.924 394 1HD PRO 52 2HD PRO 52 3.870 0.499 -14.513 395 2HD PRO 52 3HD PRO 52 2.578 0.218 -13.301 396 H ALA 53 H ALA 53 6.629 -0.869 -13.679 397 HA ALA 53 HA ALA 53 7.749 -3.130 -15.252 398 1HB ALA 53 1HB ALA 53 9.531 -1.567 -15.801 399 2HB ALA 53 2HB ALA 53 7.956 -0.797 -16.078 400 3HB ALA 53 3HB ALA 53 8.914 -0.376 -14.645 401 H GLU 54 H GLU 54 8.588 -1.068 -12.512 402 HA GLU 54 HA GLU 54 10.569 -2.931 -11.371 403 1HB GLU 54 2HB GLU 54 9.383 -0.228 -10.575 404 2HB GLU 54 3HB GLU 54 10.564 -1.089 -9.613 405 1HG GLU 54 2HG GLU 54 11.034 -0.207 -12.503 406 2HG GLU 54 3HG GLU 54 11.539 0.699 -11.071 407 H THR 55 H THR 55 7.331 -1.645 -10.728 408 HA THR 55 HA THR 55 7.152 -3.130 -8.192 409 HB THR 55 HB THR 55 6.558 -0.307 -8.834 410 HG1 THR 55 1HG THR 55 8.720 -1.805 -7.855 411 1HG2 THR 55 1HG2 THR 55 5.200 -0.969 -7.015 412 2HG2 THR 55 2HG2 THR 55 6.536 -1.872 -6.219 413 3HG2 THR 55 3HG2 THR 55 6.583 -0.076 -6.367 414 H GLY 56 H GLY 56 5.463 -4.242 -7.711 415 1HA GLY 56 2HA GLY 56 3.102 -2.797 -7.598 416 2HA GLY 56 3HA GLY 56 2.834 -4.118 -8.766 417 H THR 57 H THR 57 1.312 -4.619 -7.154 418 HA THR 57 HA THR 57 1.222 -5.423 -4.644 419 HB THR 57 HB THR 57 -0.664 -5.548 -5.920 420 HG1 THR 57 1HG THR 57 -0.141 -8.263 -5.400 421 1HG2 THR 57 1HG2 THR 57 0.055 -5.939 -8.155 422 2HG2 THR 57 2HG2 THR 57 0.661 -7.565 -7.765 423 3HG2 THR 57 3HG2 THR 57 -1.079 -7.215 -7.726 424 H ALA 58 H ALA 58 2.874 -7.448 -7.118 425 HA ALA 58 HA ALA 58 3.539 -9.667 -5.561 426 1HB ALA 58 1HB ALA 58 5.508 -9.862 -7.058 427 2HB ALA 58 2HB ALA 58 4.028 -9.478 -7.958 428 3HB ALA 58 3HB ALA 58 5.230 -8.208 -7.641 429 H ALA 59 H ALA 59 5.290 -6.534 -5.696 430 HA ALA 59 HA ALA 59 7.408 -7.475 -3.835 431 1HB ALA 59 1HB ALA 59 8.056 -6.039 -5.761 432 2HB ALA 59 2HB ALA 59 6.936 -4.778 -5.200 433 3HB ALA 59 3HB ALA 59 8.341 -5.226 -4.211 434 H ILE 60 H ILE 60 4.532 -5.503 -4.132 435 HA ILE 60 HA ILE 60 4.918 -4.069 -1.727 436 HB ILE 60 HB ILE 60 2.931 -4.266 -3.892 437 1HG1 ILE 60 2HG1 ILE 60 3.680 -1.931 -2.199 438 2HG1 ILE 60 3HG1 ILE 60 4.853 -2.589 -3.347 439 1HG2 ILE 60 1HG2 ILE 60 1.266 -2.881 -2.571 440 2HG2 ILE 60 2HG2 ILE 60 1.228 -4.629 -2.310 441 3HG2 ILE 60 3HG2 ILE 60 1.974 -3.571 -1.107 442 1HD1 ILE 60 1HD1 ILE 60 3.705 -0.719 -4.359 443 2HD1 ILE 60 2HD1 ILE 60 3.289 -2.219 -5.209 444 3HD1 ILE 60 3HD1 ILE 60 2.130 -1.478 -4.076 445 H GLN 61 H GLN 61 2.772 -6.929 -2.322 446 HA GLN 61 HA GLN 61 1.858 -7.215 0.329 447 1HB GLN 61 2HB GLN 61 2.346 -9.097 -1.964 448 2HB GLN 61 3HB GLN 61 2.288 -9.785 -0.340 449 1HG GLN 61 2HG GLN 61 0.149 -10.038 -0.955 450 2HG GLN 61 3HG GLN 61 0.069 -8.565 0.005 451 1HE2 GLN 61 1HE2 GLN 61 0.569 -6.500 -1.662 452 2HE2 GLN 61 2HE2 GLN 61 -0.429 -6.607 -3.119 453 H GLU 62 H GLU 62 4.854 -8.526 -1.132 454 HA GLU 62 HA GLU 62 5.994 -9.715 1.077 455 1HB GLU 62 2HB GLU 62 6.814 -9.104 -1.495 456 2HB GLU 62 3HB GLU 62 7.850 -8.000 -0.605 457 1HG GLU 62 2HG GLU 62 7.626 -11.013 -0.138 458 2HG GLU 62 3HG GLU 62 8.816 -10.205 -1.174 459 H LYS 63 H LYS 63 6.302 -6.204 0.260 460 HA LYS 63 HA LYS 63 7.762 -5.798 2.719 461 1HB LYS 63 2HB LYS 63 6.988 -4.208 0.362 462 2HB LYS 63 3HB LYS 63 6.742 -3.356 1.875 463 1HG LYS 63 2HG LYS 63 9.001 -2.915 1.156 464 2HG LYS 63 3HG LYS 63 9.091 -3.948 2.571 465 1HD LYS 63 2HD LYS 63 8.939 -5.729 0.294 466 2HD LYS 63 3HD LYS 63 9.975 -4.414 -0.199 467 1HE LYS 63 2HE LYS 63 11.425 -6.027 0.667 468 2HE LYS 63 3HE LYS 63 11.351 -4.777 1.922 469 1HZ LYS 63 1HZ LYS 63 11.149 -7.048 2.760 470 2HZ LYS 63 2HZ LYS 63 9.737 -6.236 3.068 471 3HZ LYS 63 3HZ LYS 63 9.847 -7.319 1.836 472 H ILE 64 H ILE 64 4.320 -5.353 1.814 473 HA ILE 64 HA ILE 64 3.419 -4.023 4.048 474 HB ILE 64 HB ILE 64 2.122 -6.146 2.322 475 1HG1 ILE 64 2HG1 ILE 64 2.701 -3.936 1.276 476 2HG1 ILE 64 3HG1 ILE 64 1.018 -4.460 1.179 477 1HG2 ILE 64 1HG2 ILE 64 0.836 -6.308 4.257 478 2HG2 ILE 64 2HG2 ILE 64 0.996 -4.563 4.630 479 3HG2 ILE 64 3HG2 ILE 64 -0.029 -5.114 3.294 480 1HD1 ILE 64 1HD1 ILE 64 0.569 -2.930 3.185 481 2HD1 ILE 64 2HD1 ILE 64 2.224 -2.306 2.916 482 3HD1 ILE 64 3HD1 ILE 64 0.954 -2.166 1.669 483 H GLU 65 H GLU 65 3.828 -7.590 3.523 484 HA GLU 65 HA GLU 65 2.980 -8.573 6.034 485 1HB GLU 65 2HB GLU 65 4.954 -9.387 3.914 486 2HB GLU 65 3HB GLU 65 4.882 -10.308 5.426 487 1HG GLU 65 2HG GLU 65 2.336 -9.741 3.878 488 2HG GLU 65 3HG GLU 65 3.423 -11.039 3.376 489 H LYS 66 H LYS 66 6.104 -7.125 5.064 490 HA LYS 66 HA LYS 66 7.345 -7.777 7.615 491 1HB LYS 66 2HB LYS 66 8.267 -7.333 5.042 492 2HB LYS 66 3HB LYS 66 8.602 -5.791 5.824 493 1HG LYS 66 2HG LYS 66 10.591 -7.132 6.174 494 2HG LYS 66 3HG LYS 66 9.720 -7.109 7.703 495 1HD LYS 66 2HD LYS 66 10.318 -9.384 7.477 496 2HD LYS 66 3HD LYS 66 8.642 -9.349 6.984 497 1HE LYS 66 2HE LYS 66 9.481 -10.672 5.329 498 2HE LYS 66 3HE LYS 66 9.570 -9.116 4.520 499 1HZ LYS 66 1HZ LYS 66 11.564 -10.335 4.248 500 2HZ LYS 66 2HZ LYS 66 11.932 -9.059 5.232 501 3HZ LYS 66 3HZ LYS 66 11.759 -10.567 5.863 502 H LEU 67 H LEU 67 5.787 -4.927 6.147 503 HA LEU 67 HA LEU 67 6.305 -3.105 8.272 504 1HB LEU 67 2HB LEU 67 4.125 -3.487 6.195 505 2HB LEU 67 3HB LEU 67 3.838 -2.382 7.502 506 HG LEU 67 HG LEU 67 4.586 -1.293 5.522 507 1HD1 LEU 67 1HD1 LEU 67 5.116 -0.397 7.822 508 2HD1 LEU 67 2HD1 LEU 67 6.760 -1.056 7.628 509 3HD1 LEU 67 3HD1 LEU 67 6.173 0.206 6.531 510 1HD2 LEU 67 1HD2 LEU 67 6.012 -2.784 4.402 511 2HD2 LEU 67 2HD2 LEU 67 6.952 -1.344 4.772 512 3HD2 LEU 67 3HD2 LEU 67 7.197 -2.809 5.740 513 H GLY 68 H GLY 68 4.442 -6.071 8.167 514 1HA GLY 68 2HA GLY 68 3.877 -7.241 10.083 515 2HA GLY 68 3HA GLY 68 3.855 -5.759 11.045 516 H TYR 69 H TYR 69 2.259 -6.138 7.837 517 HA TYR 69 HA TYR 69 -0.405 -6.368 9.166 518 1HB TYR 69 2HB TYR 69 0.340 -4.281 7.075 519 2HB TYR 69 3HB TYR 69 -1.282 -4.604 7.678 520 HD1 TYR 69 HD1 TYR 69 -2.082 -3.482 9.643 521 HD2 TYR 69 HD2 TYR 69 2.100 -3.409 8.666 522 HE1 TYR 69 HE1 TYR 69 -1.682 -1.800 11.437 523 HE2 TYR 69 HE2 TYR 69 2.527 -1.853 10.517 524 HH TYR 69 HH TYR 69 1.569 -0.530 12.155 525 H HIS 70 H HIS 70 -2.051 -6.946 7.508 526 HA HIS 70 HA HIS 70 -0.830 -8.366 5.168 527 1HB HIS 70 2HB HIS 70 -1.541 -10.277 6.010 528 2HB HIS 70 3HB HIS 70 -2.383 -9.494 7.341 529 HD1 HIS 70 1HD HIS 70 -3.244 -9.789 3.512 530 HD2 HIS 70 2HD HIS 70 -4.895 -9.953 7.389 531 HE1 HIS 70 1HE HIS 70 -5.692 -10.146 3.227 532 H VAL 71 H VAL 71 -1.533 -7.641 3.342 533 HA VAL 71 HA VAL 71 -4.025 -5.993 3.211 534 HB VAL 71 HB VAL 71 -1.967 -4.990 2.396 535 1HG1 VAL 71 1HG1 VAL 71 -2.016 -7.096 0.197 536 2HG1 VAL 71 2HG1 VAL 71 -0.946 -5.687 0.279 537 3HG1 VAL 71 3HG1 VAL 71 -0.797 -6.967 1.489 538 1HG2 VAL 71 1HG2 VAL 71 -4.064 -4.205 1.531 539 2HG2 VAL 71 2HG2 VAL 71 -2.772 -4.106 0.346 540 3HG2 VAL 71 3HG2 VAL 71 -3.994 -5.385 0.194 541 H VAL 72 H VAL 72 -5.722 -6.437 1.730 542 HA VAL 72 HA VAL 72 -5.789 -9.245 0.611 543 HB VAL 72 HB VAL 72 -8.280 -8.635 0.274 544 1HG1 VAL 72 1HG1 VAL 72 -7.709 -9.262 3.139 545 2HG1 VAL 72 2HG1 VAL 72 -9.046 -9.751 2.094 546 3HG1 VAL 72 3HG1 VAL 72 -7.444 -10.446 1.813 547 1HG2 VAL 72 1HG2 VAL 72 -7.778 -6.883 2.699 548 2HG2 VAL 72 2HG2 VAL 72 -8.128 -6.307 1.043 549 3HG2 VAL 72 3HG2 VAL 72 -9.332 -7.261 1.937 550 H ILE 73 H ILE 73 -6.409 -9.533 -1.489 551 HA ILE 73 HA ILE 73 -6.760 -7.121 -3.213 552 HB ILE 73 HB ILE 73 -5.539 -9.805 -3.989 553 1HG1 ILE 73 2HG1 ILE 73 -3.954 -8.680 -2.512 554 2HG1 ILE 73 3HG1 ILE 73 -3.388 -8.775 -4.170 555 1HG2 ILE 73 1HG2 ILE 73 -5.854 -7.181 -5.506 556 2HG2 ILE 73 2HG2 ILE 73 -4.942 -8.595 -6.079 557 3HG2 ILE 73 3HG2 ILE 73 -6.692 -8.706 -5.833 558 1HD1 ILE 73 1HD1 ILE 73 -3.872 -6.407 -4.543 559 2HD1 ILE 73 2HD1 ILE 73 -4.606 -6.268 -2.929 560 3HD1 ILE 73 3HD1 ILE 73 -2.878 -6.610 -3.094 561 H GLU 74 H GLU 74 -8.959 -7.115 -3.148 562 HA GLU 74 HA GLU 74 -10.450 -9.536 -4.059 563 1HB GLU 74 2HB GLU 74 -10.761 -8.200 -1.609 564 2HB GLU 74 3HB GLU 74 -12.021 -7.478 -2.608 565 1HG GLU 74 2HG GLU 74 -11.628 -10.491 -2.258 566 2HG GLU 74 3HG GLU 74 -12.672 -9.499 -1.235 567 H GLY 75 H GLY 75 -12.329 -8.997 -5.406 568 1HA GLY 75 2HA GLY 75 -13.123 -6.576 -6.420 569 2HA GLY 75 3HA GLY 75 -11.713 -6.961 -7.422 570 H ARG 76 H ARG 76 -11.941 -9.797 -7.670 571 HA ARG 76 HA ARG 76 -14.487 -10.519 -8.715 572 1HB ARG 76 2HB ARG 76 -13.148 -8.939 -10.536 573 2HB ARG 76 3HB ARG 76 -12.223 -10.420 -10.728 574 1HG ARG 76 2HG ARG 76 -13.834 -10.871 -12.293 575 2HG ARG 76 3HG ARG 76 -14.683 -11.513 -10.889 576 1HD ARG 76 2HD ARG 76 -15.075 -8.879 -12.342 577 2HD ARG 76 3HD ARG 76 -16.258 -10.162 -11.997 578 HE ARG 76 HE ARG 76 -15.081 -8.798 -9.638 579 1HH1 ARG 76 2HH2 ARG 76 -17.727 -8.641 -11.959 580 2HH1 ARG 76 1HH2 ARG 76 -18.755 -7.686 -10.935 581 1HH2 ARG 76 2HH1 ARG 76 -16.253 -7.587 -8.348 582 2HH2 ARG 76 1HH1 ARG 76 -17.895 -7.072 -8.720 Start of MODEL 30 1 1H MET 1 H1 MET 1 4.984 1.770 -26.467 2 2H MET 1 H2 MET 1 4.178 0.334 -26.293 3 3H MET 1 H3 MET 1 4.419 1.320 -24.990 4 HA MET 1 HA MET 1 5.969 -0.486 -24.885 5 1HB MET 1 2HB MET 1 6.732 0.540 -27.655 6 2HB MET 1 3HB MET 1 7.765 -0.501 -26.671 7 1HG MET 1 2HG MET 1 5.996 -2.233 -26.625 8 2HG MET 1 3HG MET 1 5.005 -1.239 -27.712 9 1HE MET 1 1HE MET 1 6.254 -4.247 -29.936 10 2HE MET 1 2HE MET 1 5.872 -4.302 -28.200 11 3HE MET 1 3HE MET 1 4.824 -3.386 -29.316 12 H LEU 2 H LEU 2 6.856 0.523 -23.146 13 HA LEU 2 HA LEU 2 9.234 1.809 -23.190 14 1HB LEU 2 2HB LEU 2 8.223 3.877 -24.107 15 2HB LEU 2 3HB LEU 2 6.986 3.861 -22.862 16 HG LEU 2 HG LEU 2 8.933 4.145 -21.169 17 1HD1 LEU 2 1HD1 LEU 2 10.464 4.741 -23.740 18 2HD1 LEU 2 2HD1 LEU 2 11.033 5.046 -22.087 19 3HD1 LEU 2 3HD1 LEU 2 10.785 3.385 -22.637 20 1HD2 LEU 2 1HD2 LEU 2 8.472 6.294 -23.272 21 2HD2 LEU 2 2HD2 LEU 2 7.467 5.991 -21.837 22 3HD2 LEU 2 3HD2 LEU 2 9.137 6.548 -21.644 23 H SER 3 H SER 3 6.576 3.026 -21.143 24 HA SER 3 HA SER 3 6.430 0.866 -19.284 25 1HB SER 3 2HB SER 3 7.301 2.362 -17.359 26 2HB SER 3 3HB SER 3 8.540 1.665 -18.412 27 HG SER 3 HG SER 3 7.461 4.283 -18.678 28 H GLU 4 H GLU 4 4.533 1.360 -17.919 29 HA GLU 4 HA GLU 4 3.497 4.059 -17.977 30 1HB GLU 4 2HB GLU 4 1.174 3.319 -18.258 31 2HB GLU 4 3HB GLU 4 2.094 3.119 -19.751 32 1HG GLU 4 2HG GLU 4 2.114 0.745 -19.545 33 2HG GLU 4 3HG GLU 4 1.660 0.788 -17.835 34 H GLN 5 H GLN 5 2.156 4.336 -16.083 35 HA GLN 5 HA GLN 5 2.656 2.306 -13.955 36 1HB GLN 5 2HB GLN 5 2.836 4.041 -12.394 37 2HB GLN 5 3HB GLN 5 4.094 4.273 -13.618 38 1HG GLN 5 2HG GLN 5 2.668 6.065 -14.663 39 2HG GLN 5 3HG GLN 5 1.473 5.844 -13.376 40 1HE2 GLN 5 1HE2 GLN 5 3.593 5.399 -11.251 41 2HE2 GLN 5 2HE2 GLN 5 4.176 6.976 -10.912 42 H LYS 6 H LYS 6 1.027 2.519 -12.109 43 HA LYS 6 HA LYS 6 -1.520 3.705 -12.933 44 1HB LYS 6 2HB LYS 6 -1.005 0.732 -13.077 45 2HB LYS 6 3HB LYS 6 -2.509 1.247 -12.310 46 1HG LYS 6 2HG LYS 6 -2.978 2.723 -14.315 47 2HG LYS 6 3HG LYS 6 -1.608 1.924 -15.114 48 1HD LYS 6 2HD LYS 6 -2.775 -0.288 -14.786 49 2HD LYS 6 3HD LYS 6 -4.112 0.577 -14.016 50 1HE LYS 6 2HE LYS 6 -4.760 0.196 -16.294 51 2HE LYS 6 3HE LYS 6 -4.445 1.924 -16.110 52 1HZ LYS 6 1HZ LYS 6 -2.198 1.456 -17.229 53 2HZ LYS 6 2HZ LYS 6 -2.631 -0.062 -17.374 54 3HZ LYS 6 3HZ LYS 6 -3.479 1.097 -18.142 55 H GLU 7 H GLU 7 -3.147 3.484 -11.365 56 HA GLU 7 HA GLU 7 -2.241 3.534 -8.568 57 1HB GLU 7 2HB GLU 7 -4.529 4.334 -8.145 58 2HB GLU 7 3HB GLU 7 -3.668 5.353 -9.299 59 1HG GLU 7 2HG GLU 7 -4.916 4.195 -11.182 60 2HG GLU 7 3HG GLU 7 -5.861 3.357 -9.940 61 H ILE 8 H ILE 8 -2.595 1.820 -7.250 62 HA ILE 8 HA ILE 8 -4.624 -0.210 -8.067 63 HB ILE 8 HB ILE 8 -2.032 -0.817 -7.508 64 1HG1 ILE 8 2HG1 ILE 8 -2.800 -3.068 -6.715 65 2HG1 ILE 8 3HG1 ILE 8 -4.463 -2.465 -6.721 66 1HG2 ILE 8 1HG2 ILE 8 -1.738 -1.541 -5.215 67 2HG2 ILE 8 2HG2 ILE 8 -2.175 0.178 -5.243 68 3HG2 ILE 8 3HG2 ILE 8 -3.376 -1.051 -4.783 69 1HD1 ILE 8 1HD1 ILE 8 -4.324 -2.092 -9.162 70 2HD1 ILE 8 2HD1 ILE 8 -2.584 -2.454 -9.141 71 3HD1 ILE 8 3HD1 ILE 8 -3.765 -3.731 -8.795 72 H ALA 9 H ALA 9 -6.084 -0.781 -6.335 73 HA ALA 9 HA ALA 9 -6.075 0.888 -3.927 74 1HB ALA 9 1HB ALA 9 -8.484 1.347 -4.141 75 2HB ALA 9 2HB ALA 9 -7.569 2.114 -5.456 76 3HB ALA 9 3HB ALA 9 -8.488 0.622 -5.764 77 H MET 10 H MET 10 -6.499 -0.446 -2.179 78 HA MET 10 HA MET 10 -7.948 -2.968 -2.523 79 1HB MET 10 2HB MET 10 -5.966 -4.284 -1.727 80 2HB MET 10 3HB MET 10 -5.810 -3.660 -3.381 81 1HG MET 10 2HG MET 10 -4.465 -1.726 -2.447 82 2HG MET 10 3HG MET 10 -4.579 -2.521 -0.867 83 1HE MET 10 1HE MET 10 -1.938 -2.024 -0.884 84 2HE MET 10 2HE MET 10 -0.821 -2.769 -2.041 85 3HE MET 10 3HE MET 10 -1.916 -1.473 -2.568 86 H GLN 11 H GLN 11 -7.812 -4.228 -0.369 87 HA GLN 11 HA GLN 11 -8.717 -2.265 1.667 88 1HB GLN 11 2HB GLN 11 -9.204 -5.269 1.491 89 2HB GLN 11 3HB GLN 11 -9.916 -4.128 2.619 90 1HG GLN 11 2HG GLN 11 -11.560 -4.623 0.961 91 2HG GLN 11 3HG GLN 11 -11.050 -2.948 0.758 92 1HE2 GLN 11 1HE2 GLN 11 -9.134 -5.772 -0.428 93 2HE2 GLN 11 2HE2 GLN 11 -9.320 -5.351 -2.101 94 H VAL 12 H VAL 12 -7.929 -2.497 3.890 95 HA VAL 12 HA VAL 12 -5.443 -4.164 4.082 96 HB VAL 12 HB VAL 12 -5.822 -1.703 5.764 97 1HG1 VAL 12 1HG1 VAL 12 -3.345 -1.832 5.668 98 2HG1 VAL 12 2HG1 VAL 12 -4.051 -3.284 6.394 99 3HG1 VAL 12 3HG1 VAL 12 -3.443 -3.311 4.718 100 1HG2 VAL 12 1HG2 VAL 12 -4.586 -1.827 2.990 101 2HG2 VAL 12 2HG2 VAL 12 -5.982 -0.823 3.471 102 3HG2 VAL 12 3HG2 VAL 12 -4.382 -0.482 4.146 103 H SER 13 H SER 13 -5.130 -5.449 5.874 104 HA SER 13 HA SER 13 -7.394 -5.572 7.806 105 1HB SER 13 2HB SER 13 -6.792 -7.585 6.279 106 2HB SER 13 3HB SER 13 -5.348 -7.736 7.254 107 HG SER 13 HG SER 13 -8.053 -7.857 8.114 108 H GLY 14 H GLY 14 -6.880 -4.805 9.781 109 1HA GLY 14 2HA GLY 14 -5.027 -5.148 11.553 110 2HA GLY 14 3HA GLY 14 -4.052 -4.150 10.467 111 H MET 15 H MET 15 -5.112 -2.028 9.770 112 HA MET 15 HA MET 15 -5.316 0.029 10.642 113 1HB MET 15 2HB MET 15 -7.172 -0.713 9.188 114 2HB MET 15 3HB MET 15 -8.193 -0.919 10.622 115 1HG MET 15 2HG MET 15 -6.742 1.660 9.893 116 2HG MET 15 3HG MET 15 -8.349 1.258 9.309 117 1HE MET 15 1HE MET 15 -7.700 4.067 11.082 118 2HE MET 15 2HE MET 15 -9.201 3.623 10.215 119 3HE MET 15 3HE MET 15 -9.246 4.065 11.937 120 H THR 16 H THR 16 -4.188 -0.085 12.637 121 HA THR 16 HA THR 16 -5.736 -0.069 15.121 122 HB THR 16 HB THR 16 -3.215 0.362 15.836 123 HG1 THR 16 1HG THR 16 -1.800 0.078 14.235 124 1HG2 THR 16 1HG2 THR 16 -4.093 -2.238 14.479 125 2HG2 THR 16 2HG2 THR 16 -2.734 -2.069 15.606 126 3HG2 THR 16 3HG2 THR 16 -4.393 -1.799 16.174 127 H CYS 17 H CYS 17 -5.677 2.122 12.774 128 HA CYS 17 HA CYS 17 -5.863 4.334 12.580 129 1HB CYS 17 2HB CYS 17 -7.506 3.746 14.509 130 2HB CYS 17 3HB CYS 17 -6.358 4.607 15.555 131 HG CYS 17 HG CYS 17 -8.295 6.210 14.940 132 H ALA 18 H ALA 18 -5.073 6.468 14.619 133 HA ALA 18 HA ALA 18 -3.256 7.823 14.753 134 1HB ALA 18 1HB ALA 18 -3.294 6.497 16.825 135 2HB ALA 18 2HB ALA 18 -2.179 5.319 16.100 136 3HB ALA 18 3HB ALA 18 -1.649 6.992 16.385 137 H ALA 19 H ALA 19 -3.134 7.407 12.257 138 HA ALA 19 HA ALA 19 -1.851 7.405 10.398 139 1HB ALA 19 1HB ALA 19 0.492 7.743 12.314 140 2HB ALA 19 2HB ALA 19 0.433 8.208 10.607 141 3HB ALA 19 3HB ALA 19 -0.590 9.048 11.786 142 H CYS 20 H CYS 20 -2.246 4.705 11.813 143 HA CYS 20 HA CYS 20 0.262 3.268 11.434 144 1HB CYS 20 2HB CYS 20 -2.557 2.389 12.156 145 2HB CYS 20 3HB CYS 20 -1.333 1.232 11.710 146 HG CYS 20 HG CYS 20 -1.223 3.554 14.047 147 H ALA 21 H ALA 21 -2.907 3.118 9.793 148 HA ALA 21 HA ALA 21 -1.962 1.600 7.611 149 1HB ALA 21 1HB ALA 21 -4.267 3.534 7.745 150 2HB ALA 21 2HB ALA 21 -4.048 2.252 6.515 151 3HB ALA 21 3HB ALA 21 -4.327 1.816 8.213 152 H ALA 22 H ALA 22 -1.675 4.997 8.286 153 HA ALA 22 HA ALA 22 -0.816 5.735 5.609 154 1HB ALA 22 1HB ALA 22 -0.352 6.984 8.365 155 2HB ALA 22 2HB ALA 22 0.102 7.737 6.813 156 3HB ALA 22 3HB ALA 22 -1.608 7.425 7.204 157 H ARG 23 H ARG 23 0.936 4.706 8.651 158 HA ARG 23 HA ARG 23 3.534 4.725 7.538 159 1HB ARG 23 2HB ARG 23 2.441 2.734 9.569 160 2HB ARG 23 3HB ARG 23 4.101 2.904 9.043 161 1HG ARG 23 2HG ARG 23 3.622 5.494 9.764 162 2HG ARG 23 3HG ARG 23 2.523 4.639 10.868 163 1HD ARG 23 2HD ARG 23 4.416 3.138 11.530 164 2HD ARG 23 3HD ARG 23 5.492 4.089 10.469 165 HE ARG 23 HE ARG 23 4.142 5.800 12.331 166 1HH1 ARG 23 2HH2 ARG 23 6.692 3.375 12.175 167 2HH1 ARG 23 1HH2 ARG 23 7.620 4.003 13.501 168 1HH2 ARG 23 2HH1 ARG 23 5.336 6.673 14.127 169 2HH2 ARG 23 1HH1 ARG 23 6.814 5.928 14.642 170 H ILE 24 H ILE 24 1.068 2.133 7.496 171 HA ILE 24 HA ILE 24 2.410 0.068 6.237 172 HB ILE 24 HB ILE 24 -0.435 1.012 5.650 173 1HG1 ILE 24 2HG1 ILE 24 0.591 -1.145 7.475 174 2HG1 ILE 24 3HG1 ILE 24 0.033 0.412 8.058 175 1HG2 ILE 24 1HG2 ILE 24 0.341 -0.495 3.885 176 2HG2 ILE 24 2HG2 ILE 24 0.782 -1.700 5.132 177 3HG2 ILE 24 3HG2 ILE 24 -0.909 -1.238 4.856 178 1HD1 ILE 24 1HD1 ILE 24 -1.565 -1.898 7.038 179 2HD1 ILE 24 2HD1 ILE 24 -1.934 -0.773 8.358 180 3HD1 ILE 24 3HD1 ILE 24 -2.195 -0.280 6.688 181 H GLU 25 H GLU 25 0.550 2.599 4.483 182 HA GLU 25 HA GLU 25 1.686 1.726 2.027 183 1HB GLU 25 2HB GLU 25 -0.553 3.238 2.779 184 2HB GLU 25 3HB GLU 25 0.478 4.417 2.003 185 1HG GLU 25 2HG GLU 25 -0.837 3.411 0.222 186 2HG GLU 25 3HG GLU 25 0.800 2.783 0.048 187 H LYS 26 H LYS 26 2.548 4.391 4.233 188 HA LYS 26 HA LYS 26 4.272 5.848 2.547 189 1HB LYS 26 2HB LYS 26 4.099 5.305 5.505 190 2HB LYS 26 3HB LYS 26 5.442 6.216 4.876 191 1HG LYS 26 2HG LYS 26 2.653 7.024 4.017 192 2HG LYS 26 3HG LYS 26 3.185 7.412 5.658 193 1HD LYS 26 2HD LYS 26 5.207 8.509 4.841 194 2HD LYS 26 3HD LYS 26 4.800 8.156 3.162 195 1HE LYS 26 2HE LYS 26 3.092 9.835 5.102 196 2HE LYS 26 3HE LYS 26 4.301 10.533 4.021 197 1HZ LYS 26 1HZ LYS 26 1.928 9.026 3.115 198 2HZ LYS 26 2HZ LYS 26 2.084 10.660 3.115 199 3HZ LYS 26 3HZ LYS 26 3.045 9.749 2.151 200 H GLY 27 H GLY 27 4.821 2.833 4.404 201 1HA GLY 27 2HA GLY 27 7.581 2.468 3.820 202 2HA GLY 27 3HA GLY 27 6.398 1.170 3.992 203 H LEU 28 H LEU 28 4.629 1.766 1.790 204 HA LEU 28 HA LEU 28 6.233 0.663 -0.360 205 1HB LEU 28 2HB LEU 28 3.425 1.770 -0.443 206 2HB LEU 28 3HB LEU 28 4.221 0.789 -1.673 207 HG LEU 28 HG LEU 28 3.642 -0.146 1.159 208 1HD1 LEU 28 1HD1 LEU 28 1.645 0.159 0.057 209 2HD1 LEU 28 2HD1 LEU 28 2.207 -0.461 -1.488 210 3HD1 LEU 28 3HD1 LEU 28 1.977 -1.563 -0.116 211 1HD2 LEU 28 1HD2 LEU 28 5.234 -1.411 -1.070 212 2HD2 LEU 28 2HD2 LEU 28 5.462 -1.427 0.667 213 3HD2 LEU 28 3HD2 LEU 28 4.204 -2.435 -0.058 214 H LYS 29 H LYS 29 5.095 3.933 0.509 215 HA LYS 29 HA LYS 29 5.939 5.145 -1.933 216 1HB LYS 29 2HB LYS 29 4.522 6.367 -0.568 217 2HB LYS 29 3HB LYS 29 5.632 6.372 0.792 218 1HG LYS 29 2HG LYS 29 7.239 7.762 -0.349 219 2HG LYS 29 3HG LYS 29 6.370 7.632 -1.883 220 1HD LYS 29 2HD LYS 29 5.297 8.957 0.630 221 2HD LYS 29 3HD LYS 29 6.126 9.826 -0.661 222 1HE LYS 29 2HE LYS 29 3.863 8.144 -1.627 223 2HE LYS 29 3HE LYS 29 3.367 9.374 -0.481 224 1HZ LYS 29 1HZ LYS 29 3.163 10.301 -2.494 225 2HZ LYS 29 2HZ LYS 29 4.529 11.015 -1.950 226 3HZ LYS 29 3HZ LYS 29 4.606 9.820 -3.118 227 H ARG 30 H ARG 30 7.891 3.669 0.550 228 HA ARG 30 HA ARG 30 10.355 4.980 -0.446 229 1HB ARG 30 2HB ARG 30 9.753 2.951 1.706 230 2HB ARG 30 3HB ARG 30 11.330 2.971 0.978 231 1HG ARG 30 2HG ARG 30 11.436 4.329 2.895 232 2HG ARG 30 3HG ARG 30 11.543 5.408 1.501 233 1HD ARG 30 2HD ARG 30 9.085 5.966 1.809 234 2HD ARG 30 3HD ARG 30 9.016 4.796 3.113 235 HE ARG 30 HE ARG 30 9.982 6.243 4.570 236 1HH1 ARG 30 2HH2 ARG 30 10.488 7.465 1.310 237 2HH1 ARG 30 1HH2 ARG 30 11.096 9.019 1.793 238 1HH2 ARG 30 2HH1 ARG 30 10.837 8.272 5.276 239 2HH2 ARG 30 1HH1 ARG 30 11.307 9.476 4.124 240 H MET 31 H MET 31 8.372 2.347 -1.643 241 HA MET 31 HA MET 31 10.600 0.744 -2.457 242 1HB MET 31 2HB MET 31 7.679 0.682 -3.213 243 2HB MET 31 3HB MET 31 8.843 -0.472 -3.851 244 1HG MET 31 2HG MET 31 8.480 -0.135 -0.849 245 2HG MET 31 3HG MET 31 7.455 -1.151 -1.856 246 1HE MET 31 1HE MET 31 11.659 -2.319 -0.510 247 2HE MET 31 2HE MET 31 11.560 -0.832 -1.444 248 3HE MET 31 3HE MET 31 10.703 -0.957 0.117 249 HA PRO 32 HA PRO 32 11.885 2.959 -5.999 250 1HB PRO 32 2HB PRO 32 13.359 1.120 -7.340 251 2HB PRO 32 3HB PRO 32 13.835 1.714 -5.724 252 1HG PRO 32 2HG PRO 32 12.288 -0.828 -6.350 253 2HG PRO 32 3HG PRO 32 13.763 -0.674 -5.354 254 1HD PRO 32 2HD PRO 32 11.310 -0.694 -4.216 255 2HD PRO 32 3HD PRO 32 12.569 0.434 -3.619 256 H GLY 33 H GLY 33 9.758 3.308 -6.916 257 1HA GLY 33 2HA GLY 33 9.167 2.712 -9.545 258 2HA GLY 33 3HA GLY 33 8.568 1.316 -8.702 259 H VAL 34 H VAL 34 7.980 2.983 -6.194 260 HA VAL 34 HA VAL 34 5.282 3.672 -6.799 261 HB VAL 34 HB VAL 34 6.349 2.857 -4.650 262 1HG1 VAL 34 1HG1 VAL 34 7.609 4.256 -3.326 263 2HG1 VAL 34 2HG1 VAL 34 8.126 4.850 -4.879 264 3HG1 VAL 34 3HG1 VAL 34 6.906 5.757 -3.988 265 1HG2 VAL 34 1HG2 VAL 34 4.569 5.301 -4.299 266 2HG2 VAL 34 2HG2 VAL 34 3.999 3.721 -4.872 267 3HG2 VAL 34 3HG2 VAL 34 4.692 3.865 -3.264 268 H THR 35 H THR 35 4.271 5.732 -6.646 269 HA THR 35 HA THR 35 6.040 8.142 -6.816 270 HB THR 35 HB THR 35 3.456 8.603 -8.070 271 HG1 THR 35 1HG THR 35 4.980 6.390 -8.963 272 1HG2 THR 35 1HG2 THR 35 5.532 9.911 -8.507 273 2HG2 THR 35 2HG2 THR 35 6.270 8.472 -9.254 274 3HG2 THR 35 3HG2 THR 35 4.837 9.226 -9.989 275 H ASP 36 H ASP 36 2.677 7.029 -6.018 276 HA ASP 36 HA ASP 36 2.944 8.525 -3.566 277 1HB ASP 36 2HB ASP 36 1.989 10.266 -5.077 278 2HB ASP 36 3HB ASP 36 0.606 9.200 -5.372 279 H ALA 37 H ALA 37 1.332 8.260 -1.963 280 HA ALA 37 HA ALA 37 -0.028 5.624 -2.052 281 1HB ALA 37 1HB ALA 37 2.057 6.486 0.010 282 2HB ALA 37 2HB ALA 37 1.085 5.009 0.032 283 3HB ALA 37 3HB ALA 37 2.299 5.233 -1.232 284 H ASN 38 H ASN 38 -2.067 5.902 -1.121 285 HA ASN 38 HA ASN 38 -2.530 8.252 0.628 286 1HB ASN 38 2HB ASN 38 -3.045 8.173 -2.235 287 2HB ASN 38 3HB ASN 38 -4.583 8.157 -1.376 288 1HD2 ASN 38 1HD2 ASN 38 -1.848 10.215 -2.307 289 2HD2 ASN 38 2HD2 ASN 38 -2.486 11.608 -1.466 290 H VAL 39 H VAL 39 -3.732 7.600 2.290 291 HA VAL 39 HA VAL 39 -5.132 5.010 2.098 292 HB VAL 39 HB VAL 39 -3.322 5.488 3.774 293 1HG1 VAL 39 1HG1 VAL 39 -3.833 6.642 5.809 294 2HG1 VAL 39 2HG1 VAL 39 -4.101 7.774 4.473 295 3HG1 VAL 39 3HG1 VAL 39 -5.484 7.005 5.284 296 1HG2 VAL 39 1HG2 VAL 39 -4.627 4.339 5.606 297 2HG2 VAL 39 2HG2 VAL 39 -6.053 4.448 4.548 298 3HG2 VAL 39 3HG2 VAL 39 -4.620 3.548 4.024 299 H ASN 40 H ASN 40 -7.263 4.723 2.129 300 HA ASN 40 HA ASN 40 -9.055 7.028 2.782 301 1HB ASN 40 2HB ASN 40 -9.032 5.043 0.501 302 2HB ASN 40 3HB ASN 40 -10.596 5.440 1.212 303 1HD2 ASN 40 1HD2 ASN 40 -9.165 6.187 -1.441 304 2HD2 ASN 40 2HD2 ASN 40 -9.535 7.897 -1.550 305 H LEU 41 H LEU 41 -8.458 6.105 4.942 306 HA LEU 41 HA LEU 41 -9.544 3.584 5.762 307 1HB LEU 41 2HB LEU 41 -9.046 6.123 7.373 308 2HB LEU 41 3HB LEU 41 -9.438 4.540 8.058 309 HG LEU 41 HG LEU 41 -6.969 5.242 6.430 310 1HD1 LEU 41 1HD1 LEU 41 -5.749 5.299 8.336 311 2HD1 LEU 41 2HD1 LEU 41 -7.295 5.774 9.060 312 3HD1 LEU 41 3HD1 LEU 41 -6.731 4.083 9.150 313 1HD2 LEU 41 1HD2 LEU 41 -6.300 2.841 7.227 314 2HD2 LEU 41 2HD2 LEU 41 -8.019 2.592 7.495 315 3HD2 LEU 41 3HD2 LEU 41 -7.412 2.942 5.861 316 H ALA 42 H ALA 42 -11.120 6.531 4.922 317 HA ALA 42 HA ALA 42 -13.600 6.290 6.288 318 1HB ALA 42 1HB ALA 42 -12.939 7.273 3.469 319 2HB ALA 42 2HB ALA 42 -14.450 7.584 4.351 320 3HB ALA 42 3HB ALA 42 -12.922 8.262 4.949 321 H THR 43 H THR 43 -12.102 4.428 3.711 322 HA THR 43 HA THR 43 -14.562 2.780 3.384 323 HB THR 43 HB THR 43 -12.413 3.325 1.296 324 HG1 THR 43 1HG THR 43 -14.715 4.818 1.935 325 1HG2 THR 43 1HG2 THR 43 -13.894 1.461 0.727 326 2HG2 THR 43 2HG2 THR 43 -15.325 2.445 1.125 327 3HG2 THR 43 3HG2 THR 43 -14.302 2.867 -0.269 328 H GLU 44 H GLU 44 -11.994 2.663 5.205 329 HA GLU 44 HA GLU 44 -10.280 1.247 5.740 330 1HB GLU 44 2HB GLU 44 -12.502 -0.699 5.014 331 2HB GLU 44 3HB GLU 44 -11.084 -1.117 5.978 332 1HG GLU 44 2HG GLU 44 -11.698 0.396 7.743 333 2HG GLU 44 3HG GLU 44 -12.974 1.149 6.773 334 H THR 45 H THR 45 -9.855 2.223 3.145 335 HA THR 45 HA THR 45 -8.683 -0.076 1.675 336 HB THR 45 HB THR 45 -10.521 2.116 0.611 337 HG1 THR 45 1HG THR 45 -11.539 0.242 1.499 338 1HG2 THR 45 1HG2 THR 45 -8.713 1.712 -1.063 339 2HG2 THR 45 2HG2 THR 45 -9.115 -0.023 -1.027 340 3HG2 THR 45 3HG2 THR 45 -10.297 1.147 -1.607 341 H VAL 46 H VAL 46 -6.864 0.534 0.451 342 HA VAL 46 HA VAL 46 -5.915 3.332 0.788 343 HB VAL 46 HB VAL 46 -4.855 1.888 2.449 344 1HG1 VAL 46 1HG1 VAL 46 -3.314 0.079 1.808 345 2HG1 VAL 46 2HG1 VAL 46 -4.930 -0.302 1.191 346 3HG1 VAL 46 3HG1 VAL 46 -3.683 0.311 0.095 347 1HG2 VAL 46 1HG2 VAL 46 -2.911 2.615 0.241 348 2HG2 VAL 46 2HG2 VAL 46 -3.586 3.789 1.368 349 3HG2 VAL 46 3HG2 VAL 46 -2.585 2.493 1.999 350 H ASN 47 H ASN 47 -4.724 4.110 -0.967 351 HA ASN 47 HA ASN 47 -4.586 2.310 -3.291 352 1HB ASN 47 2HB ASN 47 -5.433 3.880 -4.800 353 2HB ASN 47 3HB ASN 47 -6.512 4.066 -3.424 354 1HD2 ASN 47 1HD2 ASN 47 -3.758 5.479 -5.219 355 2HD2 ASN 47 2HD2 ASN 47 -3.968 7.097 -4.584 356 H VAL 48 H VAL 48 -2.846 2.645 -4.671 357 HA VAL 48 HA VAL 48 -0.832 4.591 -3.889 358 HB VAL 48 HB VAL 48 -0.367 2.873 -2.252 359 1HG1 VAL 48 1HG1 VAL 48 -0.126 0.950 -4.578 360 2HG1 VAL 48 2HG1 VAL 48 0.369 0.597 -2.910 361 3HG1 VAL 48 3HG1 VAL 48 -1.332 0.908 -3.263 362 1HG2 VAL 48 1HG2 VAL 48 1.713 2.872 -4.473 363 2HG2 VAL 48 2HG2 VAL 48 1.595 3.998 -3.108 364 3HG2 VAL 48 3HG2 VAL 48 1.979 2.308 -2.812 365 H ILE 49 H ILE 49 0.409 5.168 -5.504 366 HA ILE 49 HA ILE 49 -0.224 4.160 -8.212 367 HB ILE 49 HB ILE 49 0.774 6.840 -7.187 368 1HG1 ILE 49 2HG1 ILE 49 -1.765 6.392 -8.745 369 2HG1 ILE 49 3HG1 ILE 49 -1.786 6.058 -7.010 370 1HG2 ILE 49 1HG2 ILE 49 0.157 5.908 -10.035 371 2HG2 ILE 49 2HG2 ILE 49 0.511 7.583 -9.568 372 3HG2 ILE 49 3HG2 ILE 49 1.753 6.342 -9.410 373 1HD1 ILE 49 1HD1 ILE 49 -2.558 8.335 -7.535 374 2HD1 ILE 49 2HD1 ILE 49 -1.138 8.318 -6.480 375 3HD1 ILE 49 3HD1 ILE 49 -0.961 8.730 -8.203 376 H TYR 50 H TYR 50 1.336 2.996 -9.165 377 HA TYR 50 HA TYR 50 4.153 3.551 -8.657 378 1HB TYR 50 2HB TYR 50 4.598 1.107 -8.132 379 2HB TYR 50 3HB TYR 50 3.829 1.989 -6.844 380 HD1 TYR 50 HD1 TYR 50 1.992 0.934 -5.790 381 HD2 TYR 50 HD2 TYR 50 2.940 -0.187 -9.845 382 HE1 TYR 50 HE1 TYR 50 0.431 -0.973 -5.653 383 HE2 TYR 50 HE2 TYR 50 1.318 -2.017 -9.726 384 HH TYR 50 HH TYR 50 -0.539 -2.746 -6.793 385 H ASP 51 H ASP 51 5.559 2.234 -9.975 386 HA ASP 51 HA ASP 51 4.467 1.807 -12.654 387 1HB ASP 51 2HB ASP 51 6.422 3.226 -12.148 388 2HB ASP 51 3HB ASP 51 7.309 1.831 -11.604 389 HA PRO 52 HA PRO 52 4.583 -2.667 -11.393 390 1HB PRO 52 2HB PRO 52 3.062 -3.708 -13.342 391 2HB PRO 52 3HB PRO 52 2.378 -2.716 -12.025 392 1HG PRO 52 2HG PRO 52 3.154 -1.791 -14.806 393 2HG PRO 52 3HG PRO 52 1.591 -1.535 -13.971 394 1HD PRO 52 2HD PRO 52 3.598 0.302 -13.986 395 2HD PRO 52 3HD PRO 52 2.543 0.108 -12.546 396 H ALA 53 H ALA 53 6.588 -1.115 -13.420 397 HA ALA 53 HA ALA 53 7.506 -3.577 -14.861 398 1HB ALA 53 1HB ALA 53 7.516 -1.347 -16.042 399 2HB ALA 53 2HB ALA 53 8.750 -0.800 -14.887 400 3HB ALA 53 3HB ALA 53 9.089 -2.167 -15.952 401 H GLU 54 H GLU 54 8.489 -1.079 -12.550 402 HA GLU 54 HA GLU 54 10.743 -2.606 -11.456 403 1HB GLU 54 2HB GLU 54 9.399 0.028 -10.711 404 2HB GLU 54 3HB GLU 54 10.893 -0.585 -10.012 405 1HG GLU 54 2HG GLU 54 10.762 -0.212 -13.018 406 2HG GLU 54 3HG GLU 54 10.955 1.182 -11.954 407 H THR 55 H THR 55 7.450 -1.725 -10.597 408 HA THR 55 HA THR 55 7.508 -3.080 -7.969 409 HB THR 55 HB THR 55 6.894 -0.262 -8.596 410 HG1 THR 55 1HG THR 55 9.172 -1.627 -7.958 411 1HG2 THR 55 1HG2 THR 55 7.012 0.002 -6.114 412 2HG2 THR 55 2HG2 THR 55 5.605 -0.872 -6.731 413 3HG2 THR 55 3HG2 THR 55 6.949 -1.796 -5.965 414 H GLY 56 H GLY 56 5.727 -4.237 -7.558 415 1HA GLY 56 2HA GLY 56 3.244 -2.828 -7.609 416 2HA GLY 56 3HA GLY 56 3.199 -4.193 -8.747 417 H THR 57 H THR 57 1.468 -4.598 -7.162 418 HA THR 57 HA THR 57 1.288 -5.356 -4.622 419 HB THR 57 HB THR 57 -0.658 -5.623 -5.759 420 HG1 THR 57 1HG THR 57 -0.680 -7.463 -4.490 421 1HG2 THR 57 1HG2 THR 57 0.730 -7.418 -7.792 422 2HG2 THR 57 2HG2 THR 57 -1.006 -7.073 -7.722 423 3HG2 THR 57 3HG2 THR 57 0.118 -5.765 -8.084 424 H ALA 58 H ALA 58 2.904 -7.448 -7.034 425 HA ALA 58 HA ALA 58 3.505 -9.634 -5.462 426 1HB ALA 58 1HB ALA 58 5.276 -8.214 -7.516 427 2HB ALA 58 2HB ALA 58 5.493 -9.891 -6.962 428 3HB ALA 58 3HB ALA 58 4.035 -9.437 -7.867 429 H ALA 59 H ALA 59 5.342 -6.553 -5.526 430 HA ALA 59 HA ALA 59 7.395 -7.541 -3.634 431 1HB ALA 59 1HB ALA 59 8.127 -6.105 -5.514 432 2HB ALA 59 2HB ALA 59 6.993 -4.837 -5.001 433 3HB ALA 59 3HB ALA 59 8.353 -5.289 -3.954 434 H ILE 60 H ILE 60 4.583 -5.475 -4.038 435 HA ILE 60 HA ILE 60 4.936 -4.008 -1.661 436 HB ILE 60 HB ILE 60 3.011 -4.220 -3.890 437 1HG1 ILE 60 2HG1 ILE 60 3.637 -1.791 -2.338 438 2HG1 ILE 60 3HG1 ILE 60 4.963 -2.522 -3.257 439 1HG2 ILE 60 1HG2 ILE 60 1.259 -4.461 -2.366 440 2HG2 ILE 60 2HG2 ILE 60 1.995 -3.390 -1.176 441 3HG2 ILE 60 3HG2 ILE 60 1.335 -2.731 -2.688 442 1HD1 ILE 60 1HD1 ILE 60 2.309 -1.669 -4.451 443 2HD1 ILE 60 2HD1 ILE 60 3.803 -0.711 -4.490 444 3HD1 ILE 60 3HD1 ILE 60 3.736 -2.270 -5.330 445 H GLN 61 H GLN 61 2.822 -6.884 -2.239 446 HA GLN 61 HA GLN 61 1.755 -7.032 0.389 447 1HB GLN 61 2HB GLN 61 2.266 -8.980 -1.838 448 2HB GLN 61 3HB GLN 61 2.090 -9.621 -0.202 449 1HG GLN 61 2HG GLN 61 -0.019 -9.784 -1.125 450 2HG GLN 61 3HG GLN 61 -0.095 -8.464 0.039 451 1HE2 GLN 61 1HE2 GLN 61 0.695 -6.248 -1.354 452 2HE2 GLN 61 2HE2 GLN 61 -0.401 -5.986 -2.698 453 H GLU 62 H GLU 62 4.796 -8.425 -0.906 454 HA GLU 62 HA GLU 62 5.892 -9.510 1.390 455 1HB GLU 62 2HB GLU 62 6.765 -9.005 -1.169 456 2HB GLU 62 3HB GLU 62 7.774 -7.852 -0.307 457 1HG GLU 62 2HG GLU 62 7.600 -10.810 0.416 458 2HG GLU 62 3HG GLU 62 8.669 -10.124 -0.821 459 H LYS 63 H LYS 63 6.307 -6.082 0.356 460 HA LYS 63 HA LYS 63 7.633 -5.480 2.862 461 1HB LYS 63 2HB LYS 63 7.179 -4.141 0.338 462 2HB LYS 63 3HB LYS 63 6.640 -3.122 1.660 463 1HG LYS 63 2HG LYS 63 8.914 -2.624 1.239 464 2HG LYS 63 3HG LYS 63 8.879 -3.447 2.791 465 1HD LYS 63 2HD LYS 63 9.441 -4.965 0.195 466 2HD LYS 63 3HD LYS 63 10.698 -3.999 0.977 467 1HE LYS 63 2HE LYS 63 10.464 -5.338 3.068 468 2HE LYS 63 3HE LYS 63 9.328 -6.425 2.233 469 1HZ LYS 63 1HZ LYS 63 11.570 -7.221 2.274 470 2HZ LYS 63 2HZ LYS 63 10.836 -7.221 0.865 471 3HZ LYS 63 3HZ LYS 63 12.011 -6.067 1.168 472 H ILE 64 H ILE 64 4.241 -5.138 1.862 473 HA ILE 64 HA ILE 64 3.333 -3.663 4.033 474 HB ILE 64 HB ILE 64 2.091 -5.850 2.359 475 1HG1 ILE 64 2HG1 ILE 64 2.672 -3.502 1.401 476 2HG1 ILE 64 3HG1 ILE 64 1.087 -4.222 1.082 477 1HG2 ILE 64 1HG2 ILE 64 0.802 -4.232 4.566 478 2HG2 ILE 64 2HG2 ILE 64 -0.097 -5.059 3.275 479 3HG2 ILE 64 3HG2 ILE 64 0.869 -6.008 4.380 480 1HD1 ILE 64 1HD1 ILE 64 1.767 -2.144 3.161 481 2HD1 ILE 64 2HD1 ILE 64 0.878 -1.855 1.659 482 3HD1 ILE 64 3HD1 ILE 64 0.126 -2.826 2.896 483 H GLU 65 H GLU 65 3.733 -7.257 3.664 484 HA GLU 65 HA GLU 65 2.999 -8.106 6.266 485 1HB GLU 65 2HB GLU 65 4.831 -9.079 4.098 486 2HB GLU 65 3HB GLU 65 4.895 -9.862 5.682 487 1HG GLU 65 2HG GLU 65 2.208 -9.444 4.350 488 2HG GLU 65 3HG GLU 65 3.269 -10.738 3.786 489 H LYS 66 H LYS 66 6.092 -6.754 5.075 490 HA LYS 66 HA LYS 66 7.477 -7.197 7.567 491 1HB LYS 66 2HB LYS 66 8.257 -6.673 4.990 492 2HB LYS 66 3HB LYS 66 8.344 -5.057 5.681 493 1HG LYS 66 2HG LYS 66 10.461 -5.740 6.244 494 2HG LYS 66 3HG LYS 66 9.655 -6.413 7.654 495 1HD LYS 66 2HD LYS 66 10.405 -7.831 5.051 496 2HD LYS 66 3HD LYS 66 11.176 -8.056 6.630 497 1HE LYS 66 2HE LYS 66 9.203 -9.167 7.517 498 2HE LYS 66 3HE LYS 66 8.242 -8.762 6.084 499 1HZ LYS 66 1HZ LYS 66 9.551 -10.163 4.739 500 2HZ LYS 66 2HZ LYS 66 10.549 -10.551 6.008 501 3HZ LYS 66 3HZ LYS 66 8.971 -11.000 6.027 502 H LEU 67 H LEU 67 5.708 -4.417 6.145 503 HA LEU 67 HA LEU 67 6.220 -2.545 8.210 504 1HB LEU 67 2HB LEU 67 4.024 -2.992 6.153 505 2HB LEU 67 3HB LEU 67 3.777 -1.822 7.403 506 HG LEU 67 HG LEU 67 4.519 -0.789 5.431 507 1HD1 LEU 67 1HD1 LEU 67 6.226 0.639 6.297 508 2HD1 LEU 67 2HD1 LEU 67 5.280 0.081 7.688 509 3HD1 LEU 67 3HD1 LEU 67 6.873 -0.641 7.336 510 1HD2 LEU 67 1HD2 LEU 67 7.003 -2.500 5.453 511 2HD2 LEU 67 2HD2 LEU 67 5.738 -2.318 4.196 512 3HD2 LEU 67 3HD2 LEU 67 6.844 -0.999 4.536 513 H GLY 68 H GLY 68 4.381 -5.518 8.226 514 1HA GLY 68 2HA GLY 68 3.882 -6.606 10.215 515 2HA GLY 68 3HA GLY 68 3.794 -5.075 11.094 516 H TYR 69 H TYR 69 2.209 -5.629 7.942 517 HA TYR 69 HA TYR 69 -0.476 -6.003 9.214 518 1HB TYR 69 2HB TYR 69 0.153 -3.807 7.207 519 2HB TYR 69 3HB TYR 69 -1.416 -4.180 7.918 520 HD1 TYR 69 HD1 TYR 69 -2.102 -3.089 9.934 521 HD2 TYR 69 HD2 TYR 69 1.998 -2.915 8.666 522 HE1 TYR 69 HE1 TYR 69 -1.691 -1.237 11.510 523 HE2 TYR 69 HE2 TYR 69 2.462 -1.181 10.331 524 HH TYR 69 HH TYR 69 1.600 0.134 12.005 525 H HIS 70 H HIS 70 -2.108 -6.209 7.262 526 HA HIS 70 HA HIS 70 -0.850 -7.890 5.200 527 1HB HIS 70 2HB HIS 70 -2.546 -9.613 5.750 528 2HB HIS 70 3HB HIS 70 -1.131 -9.459 6.795 529 HD1 HIS 70 1HD HIS 70 -3.090 -7.021 8.518 530 HD2 HIS 70 2HD HIS 70 -3.326 -11.162 7.868 531 HE1 HIS 70 1HE HIS 70 -4.317 -7.984 10.498 532 H VAL 71 H VAL 71 -1.495 -7.088 3.420 533 HA VAL 71 HA VAL 71 -4.043 -5.601 3.243 534 HB VAL 71 HB VAL 71 -1.964 -4.558 2.460 535 1HG1 VAL 71 1HG1 VAL 71 -0.967 -5.210 0.314 536 2HG1 VAL 71 2HG1 VAL 71 -0.845 -6.569 1.445 537 3HG1 VAL 71 3HG1 VAL 71 -2.081 -6.578 0.166 538 1HG2 VAL 71 1HG2 VAL 71 -4.044 -4.889 0.303 539 2HG2 VAL 71 2HG2 VAL 71 -4.068 -3.753 1.681 540 3HG2 VAL 71 3HG2 VAL 71 -2.815 -3.612 0.465 541 H VAL 72 H VAL 72 -5.649 -6.076 1.721 542 HA VAL 72 HA VAL 72 -5.642 -8.808 0.569 543 HB VAL 72 HB VAL 72 -8.246 -8.484 1.397 544 1HG1 VAL 72 1HG1 VAL 72 -5.913 -9.734 2.862 545 2HG1 VAL 72 2HG1 VAL 72 -7.636 -10.129 3.134 546 3HG1 VAL 72 3HG1 VAL 72 -6.893 -10.462 1.555 547 1HG2 VAL 72 1HG2 VAL 72 -6.558 -7.475 3.746 548 2HG2 VAL 72 2HG2 VAL 72 -7.716 -6.482 2.828 549 3HG2 VAL 72 3HG2 VAL 72 -8.278 -7.875 3.756 550 H ILE 73 H ILE 73 -6.363 -8.950 -1.418 551 HA ILE 73 HA ILE 73 -7.699 -6.608 -2.685 552 HB ILE 73 HB ILE 73 -5.876 -8.623 -4.046 553 1HG1 ILE 73 2HG1 ILE 73 -5.146 -6.125 -2.514 554 2HG1 ILE 73 3HG1 ILE 73 -4.427 -7.735 -2.438 555 1HG2 ILE 73 1HG2 ILE 73 -5.811 -6.898 -5.785 556 2HG2 ILE 73 2HG2 ILE 73 -7.487 -7.293 -5.416 557 3HG2 ILE 73 3HG2 ILE 73 -6.779 -5.799 -4.773 558 1HD1 ILE 73 1HD1 ILE 73 -4.136 -5.679 -4.642 559 2HD1 ILE 73 2HD1 ILE 73 -2.896 -6.315 -3.549 560 3HD1 ILE 73 3HD1 ILE 73 -3.590 -7.382 -4.789 561 H GLU 74 H GLU 74 -9.847 -7.386 -2.343 562 HA GLU 74 HA GLU 74 -10.552 -10.120 -2.870 563 1HB GLU 74 2HB GLU 74 -12.843 -9.381 -2.412 564 2HB GLU 74 3HB GLU 74 -11.667 -8.957 -1.167 565 1HG GLU 74 2HG GLU 74 -11.631 -6.583 -2.249 566 2HG GLU 74 3HG GLU 74 -13.074 -7.110 -3.110 567 H GLY 75 H GLY 75 -9.449 -10.066 -5.021 568 1HA GLY 75 2HA GLY 75 -9.996 -10.921 -7.107 569 2HA GLY 75 3HA GLY 75 -11.662 -10.363 -6.924 570 H ARG 76 H ARG 76 -11.207 -7.585 -6.497 571 HA ARG 76 HA ARG 76 -9.540 -6.648 -8.715 572 1HB ARG 76 2HB ARG 76 -11.910 -6.817 -9.564 573 2HB ARG 76 3HB ARG 76 -12.402 -5.652 -8.326 574 1HG ARG 76 2HG ARG 76 -11.382 -3.874 -9.372 575 2HG ARG 76 3HG ARG 76 -10.045 -4.849 -9.959 576 1HD ARG 76 2HD ARG 76 -10.916 -4.552 -11.997 577 2HD ARG 76 3HD ARG 76 -11.932 -5.905 -11.566 578 HE ARG 76 HE ARG 76 -13.762 -4.526 -11.619 579 1HH1 ARG 76 2HH2 ARG 76 -10.949 -2.536 -11.001 580 2HH1 ARG 76 1HH2 ARG 76 -11.651 -1.029 -11.509 581 1HH2 ARG 76 2HH1 ARG 76 -14.774 -2.553 -12.357 582 2HH2 ARG 76 1HH1 ARG 76 -13.914 -1.052 -12.271
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