NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
477365 | 2kyx | 16989 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -2 1HT GLY -2 -0.708 17.602 12.244 2 H2 GLY -2 2HT GLY -2 0.379 18.829 11.831 3 H3 GLY -2 3HT GLY -2 0.058 17.583 10.735 4 HA2 GLY -2 1HA GLY -2 -2.380 18.401 10.920 5 HA3 GLY -2 2HA GLY -2 -1.618 19.881 11.483 6 H SER -1 H SER -1 -3.117 19.044 8.959 7 HA SER -1 HA SER -1 -3.074 19.531 6.737 8 HB2 SER -1 2HB SER -1 -0.976 21.426 7.784 9 HB3 SER -1 1HB SER -1 -1.419 21.385 6.076 10 HG SER -1 HG SER -1 -3.562 21.857 6.695 11 H THR 3 H THR 3 -2.448 17.499 6.005 12 HA THR 3 HA THR 3 0.398 16.939 5.697 13 HB THR 3 HB THR 3 -1.953 15.199 4.941 14 HG1 THR 3 1HG THR 3 -1.445 14.173 6.981 15 HG21 THR 3 3HG2 THR 3 -0.534 13.481 4.616 16 HG22 THR 3 1HG2 THR 3 0.623 14.067 5.810 17 HG23 THR 3 2HG2 THR 3 0.571 14.791 4.205 18 H THR 4 H THR 4 -2.491 16.933 3.612 19 HA THR 4 HA THR 4 -2.757 17.200 1.370 20 HB THR 4 HB THR 4 -1.323 19.104 0.414 21 HG1 THR 4 1HG THR 4 0.136 19.973 1.651 22 HG21 THR 4 3HG2 THR 4 -2.414 20.436 2.685 23 HG22 THR 4 1HG2 THR 4 -3.521 19.170 2.155 24 HG23 THR 4 2HG2 THR 4 -2.990 20.411 1.019 25 H LYS 5 H LYS 5 -1.809 14.941 1.180 26 HA LYS 5 HA LYS 5 0.383 15.060 -0.758 27 HB2 LYS 5 2HB LYS 5 0.330 12.903 1.350 28 HB3 LYS 5 1HB LYS 5 1.592 13.234 0.179 29 HG2 LYS 5 2HG LYS 5 1.017 15.465 1.988 30 HG3 LYS 5 1HG LYS 5 1.623 14.008 2.775 31 HD2 LYS 5 2HD LYS 5 2.994 15.006 0.321 32 HD3 LYS 5 1HD LYS 5 3.286 15.817 1.863 33 HE2 LYS 5 2HE LYS 5 3.894 13.635 2.852 34 HE3 LYS 5 1HE LYS 5 3.678 12.885 1.272 35 HZ1 LYS 5 3HZ LYS 5 5.735 13.450 0.743 36 HZ2 LYS 5 1HZ LYS 5 5.963 14.112 2.283 37 HZ3 LYS 5 2HZ LYS 5 5.410 15.087 1.016 38 H ARG 6 H ARG 6 0.654 12.450 -1.406 39 HA ARG 6 HA ARG 6 -2.052 11.482 -2.023 40 HB2 ARG 6 2HB ARG 6 -1.250 10.902 -4.321 41 HB3 ARG 6 1HB ARG 6 -1.373 12.625 -4.007 42 HG2 ARG 6 2HG ARG 6 1.261 11.588 -3.383 43 HG3 ARG 6 1HG ARG 6 0.802 11.296 -5.062 44 HD2 ARG 6 2HD ARG 6 1.392 13.395 -5.504 45 HD3 ARG 6 1HD ARG 6 0.015 13.925 -4.542 46 HE ARG 6 HE ARG 6 1.970 13.498 -2.702 47 HH11 ARG 6 1HH1 ARG 6 1.748 15.401 -5.619 48 HH12 ARG 6 2HH1 ARG 6 2.862 16.606 -5.067 49 HH21 ARG 6 1HH2 ARG 6 3.441 15.078 -1.977 50 HH22 ARG 6 2HH2 ARG 6 3.827 16.422 -3.001 51 H VAL 7 H VAL 7 0.936 10.785 -0.733 52 HA VAL 7 HA VAL 7 1.088 8.040 -1.592 53 HB VAL 7 HB VAL 7 2.873 7.966 0.278 54 HG11 VAL 7 1HG1 VAL 7 4.471 8.443 -1.280 55 HG12 VAL 7 2HG1 VAL 7 3.657 9.910 -1.826 56 HG13 VAL 7 3HG1 VAL 7 3.062 8.329 -2.333 57 HG21 VAL 7 3HG2 VAL 7 1.921 10.237 1.158 58 HG22 VAL 7 1HG2 VAL 7 2.988 10.924 -0.066 59 HG23 VAL 7 2HG2 VAL 7 3.653 9.912 1.217 60 H LEU 8 H LEU 8 0.045 6.407 -0.676 61 HA LEU 8 HA LEU 8 -1.150 6.803 1.987 62 HB2 LEU 8 2HB LEU 8 -2.078 4.832 -0.081 63 HB3 LEU 8 1HB LEU 8 -2.932 5.383 1.347 64 HG LEU 8 HG LEU 8 -2.369 6.992 -1.139 65 HD11 LEU 8 1HD1 LEU 8 -4.825 5.731 0.037 66 HD12 LEU 8 2HD1 LEU 8 -4.154 5.540 -1.581 67 HD13 LEU 8 3HD1 LEU 8 -4.917 7.060 -1.118 68 HD21 LEU 8 3HD2 LEU 8 -3.899 7.857 1.308 69 HD22 LEU 8 1HD2 LEU 8 -3.498 8.823 -0.112 70 HD23 LEU 8 2HD2 LEU 8 -2.224 8.306 0.991 71 H TYR 9 H TYR 9 -1.439 4.877 3.314 72 HA TYR 9 HA TYR 9 0.778 2.958 2.957 73 HB2 TYR 9 2HB TYR 9 0.941 4.523 4.935 74 HB3 TYR 9 1HB TYR 9 -0.500 3.746 5.580 75 HD1 TYR 9 2HD TYR 9 -0.297 1.050 5.629 76 HD2 TYR 9 1HD TYR 9 2.966 3.776 5.711 77 HE1 TYR 9 2HE TYR 9 1.119 -0.685 6.640 78 HE2 TYR 9 1HE TYR 9 4.391 2.049 6.725 79 HH TYR 9 HH TYR 9 4.008 -0.060 8.134 80 H VAL 10 H VAL 10 0.336 0.799 3.052 81 HA VAL 10 HA VAL 10 -2.497 0.060 3.409 82 HB VAL 10 HB VAL 10 -0.376 -1.584 2.027 83 HG11 VAL 10 1HG1 VAL 10 -2.621 -2.440 0.952 84 HG12 VAL 10 2HG1 VAL 10 -3.312 -1.821 2.452 85 HG13 VAL 10 3HG1 VAL 10 -2.058 -3.059 2.504 86 HG21 VAL 10 3HG2 VAL 10 -2.183 0.546 0.955 87 HG22 VAL 10 1HG2 VAL 10 -1.682 -0.801 -0.066 88 HG23 VAL 10 2HG2 VAL 10 -0.470 0.271 0.637 89 H GLY 11 H GLY 11 -3.007 -1.068 5.183 90 HA2 GLY 11 2HA GLY 11 -0.866 -2.631 6.486 91 HA3 GLY 11 1HA GLY 11 -1.978 -1.633 7.405 92 H GLY 12 H GLY 12 -1.318 -4.725 6.460 93 HA2 GLY 12 2HA GLY 12 -2.772 -6.421 7.536 94 HA3 GLY 12 1HA GLY 12 -4.132 -5.555 6.831 95 H LEU 13 H LEU 13 -1.034 -6.325 5.374 96 HA LEU 13 HA LEU 13 -2.411 -7.525 3.128 97 HB2 LEU 13 2HB LEU 13 0.410 -6.655 3.600 98 HB3 LEU 13 1HB LEU 13 -0.088 -7.450 2.140 99 HG LEU 13 HG LEU 13 -1.088 -4.775 3.115 100 HD11 LEU 13 1HD1 LEU 13 0.423 -3.761 1.791 101 HD12 LEU 13 2HD1 LEU 13 0.389 -5.041 0.579 102 HD13 LEU 13 3HD1 LEU 13 1.331 -5.250 2.056 103 HD21 LEU 13 3HD2 LEU 13 -2.491 -4.651 1.297 104 HD22 LEU 13 1HD2 LEU 13 -2.600 -6.372 1.657 105 HD23 LEU 13 2HD2 LEU 13 -1.554 -5.811 0.357 106 H ALA 14 H ALA 14 -0.824 -9.206 2.015 107 HA ALA 14 HA ALA 14 -0.006 -11.253 3.956 108 HB1 ALA 14 1HB ALA 14 -0.955 -12.896 2.147 109 HB2 ALA 14 2HB ALA 14 -1.960 -11.514 1.709 110 HB3 ALA 14 3HB ALA 14 -2.035 -12.176 3.342 111 H GLU 15 H GLU 15 0.939 -13.168 2.275 112 HA GLU 15 HA GLU 15 3.247 -11.857 1.124 113 HB2 GLU 15 2HB GLU 15 2.483 -14.756 1.450 114 HB3 GLU 15 1HB GLU 15 3.946 -14.244 0.621 115 HG2 GLU 15 2HG GLU 15 4.914 -13.424 2.563 116 HG3 GLU 15 1HG GLU 15 3.369 -13.340 3.412 117 H GLU 16 H GLU 16 0.248 -12.259 -0.042 118 HA GLU 16 HA GLU 16 1.033 -13.152 -2.709 119 HB2 GLU 16 2HB GLU 16 -1.783 -12.450 -2.284 120 HB3 GLU 16 1HB GLU 16 -1.072 -13.906 -2.966 121 HG2 GLU 16 2HG GLU 16 -0.479 -14.548 -0.588 122 HG3 GLU 16 1HG GLU 16 -1.552 -13.242 -0.080 123 H VAL 17 H VAL 17 0.251 -10.254 -1.002 124 HA VAL 17 HA VAL 17 -0.401 -8.783 -3.411 125 HB VAL 17 HB VAL 17 -1.675 -8.281 -1.407 126 HG11 VAL 17 1HG1 VAL 17 0.475 -8.767 0.034 127 HG12 VAL 17 2HG1 VAL 17 -0.819 -7.723 0.611 128 HG13 VAL 17 3HG1 VAL 17 0.646 -7.015 -0.067 129 HG21 VAL 17 3HG2 VAL 17 -0.056 -6.219 -2.749 130 HG22 VAL 17 1HG2 VAL 17 -0.787 -5.728 -1.231 131 HG23 VAL 17 2HG2 VAL 17 -1.797 -6.334 -2.537 132 H ASP 18 H ASP 18 0.741 -7.132 -4.226 133 HA ASP 18 HA ASP 18 3.330 -6.379 -3.184 134 HB2 ASP 18 2HB ASP 18 3.100 -8.410 -5.175 135 HB3 ASP 18 1HB ASP 18 3.768 -6.979 -5.951 136 H ASP 19 H ASP 19 4.362 -4.953 -5.187 137 HA ASP 19 HA ASP 19 2.691 -2.680 -5.333 138 HB2 ASP 19 2HB ASP 19 4.428 -1.769 -6.870 139 HB3 ASP 19 1HB ASP 19 5.100 -2.412 -5.374 140 H LYS 20 H LYS 20 3.243 -5.390 -7.398 141 HA LYS 20 HA LYS 20 2.172 -4.413 -9.809 142 HB2 LYS 20 2HB LYS 20 2.218 -7.218 -8.696 143 HB3 LYS 20 1HB LYS 20 1.999 -6.794 -10.390 144 HG2 LYS 20 2HG LYS 20 4.453 -6.561 -8.688 145 HG3 LYS 20 1HG LYS 20 4.237 -7.453 -10.194 146 HD2 LYS 20 2HD LYS 20 4.037 -5.366 -11.426 147 HD3 LYS 20 1HD LYS 20 4.175 -4.451 -9.926 148 HE2 LYS 20 2HE LYS 20 6.371 -4.381 -10.297 149 HE3 LYS 20 1HE LYS 20 6.404 -6.103 -9.922 150 HZ1 LYS 20 3HZ LYS 20 5.966 -4.985 -12.636 151 HZ2 LYS 20 1HZ LYS 20 6.155 -6.618 -12.235 152 HZ3 LYS 20 2HZ LYS 20 7.453 -5.548 -12.061 153 H VAL 21 H VAL 21 0.736 -6.300 -7.186 154 HA VAL 21 HA VAL 21 -1.880 -6.288 -8.332 155 HB VAL 21 HB VAL 21 -0.792 -7.859 -6.468 156 HG11 VAL 21 1HG1 VAL 21 -1.655 -7.419 -4.265 157 HG12 VAL 21 2HG1 VAL 21 -2.440 -5.944 -4.830 158 HG13 VAL 21 3HG1 VAL 21 -0.681 -6.051 -4.797 159 HG21 VAL 21 3HG2 VAL 21 -3.569 -7.219 -7.225 160 HG22 VAL 21 1HG2 VAL 21 -3.372 -8.170 -5.753 161 HG23 VAL 21 2HG2 VAL 21 -2.701 -8.755 -7.275 162 H LEU 22 H LEU 22 -0.224 -4.413 -5.854 163 HA LEU 22 HA LEU 22 -2.409 -2.862 -5.007 164 HB2 LEU 22 2HB LEU 22 0.552 -2.297 -5.089 165 HB3 LEU 22 1HB LEU 22 -0.603 -1.161 -4.414 166 HG LEU 22 HG LEU 22 -0.850 -3.872 -3.336 167 HD11 LEU 22 1HD1 LEU 22 1.778 -2.862 -3.618 168 HD12 LEU 22 2HD1 LEU 22 1.244 -4.276 -2.714 169 HD13 LEU 22 3HD1 LEU 22 1.337 -2.705 -1.920 170 HD21 LEU 22 3HD2 LEU 22 -1.701 -1.410 -2.621 171 HD22 LEU 22 1HD2 LEU 22 -0.295 -1.596 -1.575 172 HD23 LEU 22 2HD2 LEU 22 -1.591 -2.791 -1.529 173 H HIS 23 H HIS 23 -0.195 -2.616 -7.701 174 HA HIS 23 HA HIS 23 -0.842 -0.045 -8.603 175 HB2 HIS 23 2HB HIS 23 0.497 -2.437 -9.617 176 HB3 HIS 23 1HB HIS 23 -0.341 -1.553 -10.885 177 HD1 HIS 23 1HD HIS 23 2.643 -1.680 -11.061 178 HD2 HIS 23 2HD HIS 23 0.658 1.309 -8.979 179 HE1 HIS 23 1HE HIS 23 4.249 0.253 -10.970 180 HE2 HIS 23 2HE HIS 23 3.046 2.036 -9.655 181 H ALA 24 H ALA 24 -2.049 -3.199 -9.674 182 HA ALA 24 HA ALA 24 -4.112 -2.177 -11.310 183 HB1 ALA 24 1HB ALA 24 -3.956 -4.936 -10.121 184 HB2 ALA 24 2HB ALA 24 -3.058 -4.419 -11.548 185 HB3 ALA 24 3HB ALA 24 -4.821 -4.438 -11.575 186 H ALA 25 H ALA 25 -4.070 -3.361 -7.976 187 HA ALA 25 HA ALA 25 -6.881 -3.293 -7.615 188 HB1 ALA 25 1HB ALA 25 -5.993 -4.636 -6.029 189 HB2 ALA 25 2HB ALA 25 -6.041 -3.138 -5.099 190 HB3 ALA 25 3HB ALA 25 -4.536 -3.657 -5.859 191 H PHE 26 H PHE 26 -4.319 -0.941 -6.983 192 HA PHE 26 HA PHE 26 -6.303 0.863 -5.855 193 HB2 PHE 26 2HB PHE 26 -3.302 1.017 -5.995 194 HB3 PHE 26 1HB PHE 26 -4.311 2.291 -5.326 195 HD1 PHE 26 2HD PHE 26 -4.023 -1.446 -4.996 196 HD2 PHE 26 1HD PHE 26 -4.459 2.329 -3.057 197 HE1 PHE 26 2HE PHE 26 -4.037 -2.564 -2.810 198 HE2 PHE 26 1HE PHE 26 -4.460 1.210 -0.873 199 HZ PHE 26 HZ PHE 26 -4.257 -1.242 -0.746 200 H ILE 27 H ILE 27 -5.059 0.246 -8.915 201 HA ILE 27 HA ILE 27 -4.763 2.874 -9.914 202 HB ILE 27 HB ILE 27 -4.077 0.648 -11.043 203 HG12 ILE 27 2HG1 ILE 27 -4.570 1.847 -13.355 204 HG13 ILE 27 1HG1 ILE 27 -5.012 3.175 -12.284 205 HG21 ILE 27 1HG2 ILE 27 -6.013 -0.560 -11.357 206 HG22 ILE 27 2HG2 ILE 27 -5.712 0.135 -12.943 207 HG23 ILE 27 3HG2 ILE 27 -6.930 0.845 -11.893 208 HD11 ILE 27 3HD1 ILE 27 -2.723 2.664 -11.169 209 HD12 ILE 27 1HD1 ILE 27 -2.794 3.595 -12.664 210 HD13 ILE 27 2HD1 ILE 27 -2.366 1.884 -12.711 211 HA PRO 28 HA PRO 28 -9.485 2.424 -11.161 212 HB2 PRO 28 2HB PRO 28 -10.968 1.268 -9.158 213 HB3 PRO 28 1HB PRO 28 -10.430 0.411 -10.608 214 HG2 PRO 28 2HG PRO 28 -9.225 0.440 -7.868 215 HG3 PRO 28 1HG PRO 28 -9.471 -0.929 -8.968 216 HD2 PRO 28 2HD PRO 28 -7.079 0.213 -8.699 217 HD3 PRO 28 1HD PRO 28 -7.645 -0.372 -10.271 218 H PHE 29 H PHE 29 -8.521 2.510 -7.762 219 HA PHE 29 HA PHE 29 -10.306 4.644 -7.086 220 HB2 PHE 29 2HB PHE 29 -7.876 4.099 -5.439 221 HB3 PHE 29 1HB PHE 29 -9.527 4.430 -4.925 222 HD1 PHE 29 1HD PHE 29 -10.987 2.344 -6.457 223 HD2 PHE 29 2HD PHE 29 -7.322 2.155 -4.292 224 HE1 PHE 29 1HE PHE 29 -11.346 -0.057 -6.059 225 HE2 PHE 29 2HE PHE 29 -7.681 -0.240 -3.894 226 HZ PHE 29 HZ PHE 29 -9.691 -1.353 -4.776 227 H GLY 30 H GLY 30 -7.164 4.370 -8.463 228 HA2 GLY 30 2HA GLY 30 -6.952 6.981 -9.319 229 HA3 GLY 30 1HA GLY 30 -6.169 6.935 -7.746 230 H ASP 31 H ASP 31 -5.404 6.982 -10.825 231 HA ASP 31 HA ASP 31 -3.809 4.739 -11.278 232 HB2 ASP 31 2HB ASP 31 -3.124 7.453 -12.368 233 HB3 ASP 31 1HB ASP 31 -2.890 5.874 -13.110 234 H ILE 32 H ILE 32 -2.406 4.068 -9.876 235 HA ILE 32 HA ILE 32 -0.900 5.601 -8.090 236 HB ILE 32 HB ILE 32 -0.335 2.870 -9.240 237 HG12 ILE 32 2HG1 ILE 32 -1.223 2.533 -6.661 238 HG13 ILE 32 1HG1 ILE 32 -2.196 3.889 -7.227 239 HG21 ILE 32 1HG2 ILE 32 0.737 3.969 -6.650 240 HG22 ILE 32 2HG2 ILE 32 1.655 3.954 -8.154 241 HG23 ILE 32 3HG2 ILE 32 1.138 2.439 -7.423 242 HD11 ILE 32 3HD1 ILE 32 -2.124 1.899 -9.258 243 HD12 ILE 32 1HD1 ILE 32 -3.491 2.521 -8.344 244 HD13 ILE 32 2HD1 ILE 32 -2.571 1.152 -7.726 245 H THR 33 H THR 33 1.307 6.114 -8.049 246 HA THR 33 HA THR 33 2.588 6.355 -10.688 247 HB THR 33 HB THR 33 3.433 8.201 -8.593 248 HG1 THR 33 1HG THR 33 1.092 9.009 -9.836 249 HG21 THR 33 3HG2 THR 33 3.599 9.783 -10.321 250 HG22 THR 33 1HG2 THR 33 2.523 8.861 -11.372 251 HG23 THR 33 2HG2 THR 33 4.141 8.255 -11.017 252 H ASP 34 H ASP 34 2.972 5.635 -7.292 253 HA ASP 34 HA ASP 34 5.391 4.226 -7.930 254 HB2 ASP 34 2HB ASP 34 5.697 6.812 -7.133 255 HB3 ASP 34 1HB ASP 34 5.809 5.959 -5.597 256 H ILE 35 H ILE 35 5.960 2.644 -6.440 257 HA ILE 35 HA ILE 35 4.381 2.408 -3.995 258 HB ILE 35 HB ILE 35 4.632 0.097 -5.923 259 HG12 ILE 35 2HG1 ILE 35 2.262 1.889 -5.341 260 HG13 ILE 35 1HG1 ILE 35 3.138 1.788 -6.864 261 HG21 ILE 35 1HG2 ILE 35 3.132 0.452 -3.334 262 HG22 ILE 35 2HG2 ILE 35 4.505 -0.613 -3.630 263 HG23 ILE 35 3HG2 ILE 35 2.956 -0.934 -4.408 264 HD11 ILE 35 3HD1 ILE 35 0.887 0.566 -6.632 265 HD12 ILE 35 1HD1 ILE 35 1.805 -0.628 -5.716 266 HD13 ILE 35 2HD1 ILE 35 2.238 -0.279 -7.387 267 H GLN 36 H GLN 36 5.785 2.116 -2.396 268 HA GLN 36 HA GLN 36 8.260 0.618 -2.973 269 HB2 GLN 36 2HB GLN 36 7.990 3.285 -2.142 270 HB3 GLN 36 1HB GLN 36 8.529 2.406 -0.718 271 HG2 GLN 36 2HG GLN 36 9.930 1.923 -3.291 272 HG3 GLN 36 1HG GLN 36 10.232 3.433 -2.434 273 HE21 GLN 36 1HE2 GLN 36 10.851 3.222 -0.141 274 HE22 GLN 36 2HE2 GLN 36 11.859 1.895 0.312 275 H ILE 37 H ILE 37 8.732 -1.057 -1.742 276 HA ILE 37 HA ILE 37 7.266 -1.423 0.791 277 HB ILE 37 HB ILE 37 8.168 -3.619 -1.082 278 HG12 ILE 37 2HG1 ILE 37 5.302 -3.436 -0.702 279 HG13 ILE 37 1HG1 ILE 37 5.933 -1.924 -1.347 280 HG21 ILE 37 1HG2 ILE 37 7.893 -4.961 0.664 281 HG22 ILE 37 2HG2 ILE 37 6.188 -4.518 0.705 282 HG23 ILE 37 3HG2 ILE 37 7.356 -3.613 1.666 283 HD11 ILE 37 3HD1 ILE 37 7.034 -3.244 -3.148 284 HD12 ILE 37 1HD1 ILE 37 5.271 -3.303 -3.169 285 HD13 ILE 37 2HD1 ILE 37 6.192 -4.670 -2.540 286 HA PRO 38 HA PRO 38 11.626 -1.409 2.051 287 HB2 PRO 38 2HB PRO 38 11.214 -0.923 4.663 288 HB3 PRO 38 1HB PRO 38 11.063 0.343 3.439 289 HG2 PRO 38 2HG PRO 38 8.919 -1.264 4.775 290 HG3 PRO 38 1HG PRO 38 8.962 0.476 4.434 291 HD2 PRO 38 2HD PRO 38 7.616 -1.320 2.884 292 HD3 PRO 38 1HD PRO 38 8.302 0.190 2.254 293 H LEU 39 H LEU 39 12.978 -2.776 3.233 294 HA LEU 39 HA LEU 39 11.747 -5.076 4.573 295 HB2 LEU 39 2HB LEU 39 13.869 -5.244 2.434 296 HB3 LEU 39 1HB LEU 39 13.324 -6.589 3.420 297 HG LEU 39 HG LEU 39 11.081 -5.313 2.130 298 HD11 LEU 39 1HD1 LEU 39 13.448 -5.958 0.443 299 HD12 LEU 39 2HD1 LEU 39 12.259 -4.666 0.275 300 HD13 LEU 39 3HD1 LEU 39 11.834 -6.318 -0.169 301 HD21 LEU 39 3HD2 LEU 39 11.417 -7.665 3.131 302 HD22 LEU 39 1HD2 LEU 39 12.106 -8.062 1.558 303 HD23 LEU 39 2HD2 LEU 39 10.441 -7.489 1.673 304 H ASP 40 H ASP 40 13.460 -6.407 5.710 305 HA ASP 40 HA ASP 40 15.096 -4.595 7.264 306 HB2 ASP 40 2HB ASP 40 14.868 -7.595 7.546 307 HB3 ASP 40 1HB ASP 40 15.439 -6.450 8.757 308 H TYR 41 H TYR 41 17.318 -5.764 7.982 309 HA TYR 41 HA TYR 41 18.775 -6.188 5.463 310 HB2 TYR 41 2HB TYR 41 20.792 -5.503 6.825 311 HB3 TYR 41 1HB TYR 41 19.597 -4.240 6.553 312 HD1 TYR 41 1HD TYR 41 18.129 -3.505 8.405 313 HD2 TYR 41 2HD TYR 41 21.270 -6.308 9.027 314 HE1 TYR 41 1HE TYR 41 18.003 -3.099 10.827 315 HE2 TYR 41 2HE TYR 41 21.150 -5.912 11.452 316 HH TYR 41 HH TYR 41 19.184 -5.053 13.080 317 H GLU 42 H GLU 42 18.132 -7.490 8.633 318 HA GLU 42 HA GLU 42 20.084 -9.626 8.348 319 HB2 GLU 42 2HB GLU 42 18.196 -8.732 10.490 320 HB3 GLU 42 1HB GLU 42 18.777 -10.390 10.519 321 HG2 GLU 42 2HG GLU 42 21.114 -9.134 10.222 322 HG3 GLU 42 1HG GLU 42 20.210 -7.868 11.051 323 H THR 43 H THR 43 16.638 -9.114 8.061 324 HA THR 43 HA THR 43 16.284 -11.943 7.318 325 HB THR 43 HB THR 43 13.925 -11.663 7.945 326 HG1 THR 43 1HG THR 43 13.743 -9.427 7.548 327 HG21 THR 43 3HG2 THR 43 14.125 -11.569 10.293 328 HG22 THR 43 1HG2 THR 43 15.615 -10.628 10.197 329 HG23 THR 43 2HG2 THR 43 15.602 -12.316 9.682 330 H GLU 44 H GLU 44 15.987 -8.667 6.269 331 HA GLU 44 HA GLU 44 15.177 -7.676 4.384 332 HB2 GLU 44 2HB GLU 44 15.983 -8.636 2.331 333 HB3 GLU 44 1HB GLU 44 17.194 -8.872 3.583 334 HG2 GLU 44 2HG GLU 44 16.668 -11.167 3.787 335 HG3 GLU 44 1HG GLU 44 15.208 -10.990 2.817 336 H LYS 45 H LYS 45 13.148 -9.095 5.792 337 HA LYS 45 HA LYS 45 11.330 -9.594 3.553 338 HB2 LYS 45 2HB LYS 45 10.282 -11.446 4.951 339 HB3 LYS 45 1HB LYS 45 11.814 -11.812 4.173 340 HG2 LYS 45 2HG LYS 45 12.801 -11.025 6.473 341 HG3 LYS 45 1HG LYS 45 11.189 -11.440 7.055 342 HD2 LYS 45 2HD LYS 45 11.571 -13.661 5.764 343 HD3 LYS 45 1HD LYS 45 13.274 -13.206 5.829 344 HE2 LYS 45 2HE LYS 45 13.441 -13.768 7.982 345 HE3 LYS 45 1HE LYS 45 11.960 -12.911 8.403 346 HZ1 LYS 45 3HZ LYS 45 11.290 -15.236 6.975 347 HZ2 LYS 45 1HZ LYS 45 10.927 -14.842 8.581 348 HZ3 LYS 45 2HZ LYS 45 12.359 -15.662 8.214 349 H HIS 46 H HIS 46 9.630 -8.297 3.724 350 HA HIS 46 HA HIS 46 9.126 -6.743 6.044 351 HB2 HIS 46 2HB HIS 46 8.470 -6.512 3.403 352 HB3 HIS 46 1HB HIS 46 6.925 -6.982 4.104 353 HD1 HIS 46 1HD HIS 46 5.929 -4.636 3.669 354 HD2 HIS 46 2HD HIS 46 9.248 -4.642 6.168 355 HE1 HIS 46 1HE HIS 46 5.989 -2.347 4.711 356 HE2 HIS 46 2HE HIS 46 7.984 -2.385 6.251 357 H ARG 47 H ARG 47 6.416 -6.691 6.353 358 HA ARG 47 HA ARG 47 5.846 -9.348 7.498 359 HB2 ARG 47 2HB ARG 47 5.413 -6.579 8.462 360 HB3 ARG 47 1HB ARG 47 4.093 -7.701 8.754 361 HG2 ARG 47 2HG ARG 47 5.210 -8.175 10.632 362 HG3 ARG 47 1HG ARG 47 6.208 -9.180 9.579 363 HD2 ARG 47 2HD ARG 47 7.891 -7.564 9.442 364 HD3 ARG 47 1HD ARG 47 6.839 -6.284 10.041 365 HE ARG 47 HE ARG 47 6.896 -7.746 12.185 366 HH11 ARG 47 1HH1 ARG 47 9.569 -7.149 10.008 367 HH12 ARG 47 2HH1 ARG 47 10.770 -7.383 11.231 368 HH21 ARG 47 1HH2 ARG 47 8.482 -8.045 13.785 369 HH22 ARG 47 2HH2 ARG 47 10.157 -7.888 13.370 370 H GLY 48 H GLY 48 4.406 -6.503 5.984 371 HA2 GLY 48 2HA GLY 48 2.988 -7.625 3.981 372 HA3 GLY 48 1HA GLY 48 1.942 -7.875 5.373 373 H PHE 49 H PHE 49 4.052 -5.139 4.538 374 HA PHE 49 HA PHE 49 1.666 -3.465 4.232 375 HB2 PHE 49 2HB PHE 49 4.006 -2.598 5.922 376 HB3 PHE 49 1HB PHE 49 2.427 -1.836 5.778 377 HD1 PHE 49 1HD PHE 49 0.538 -3.909 6.131 378 HD2 PHE 49 2HD PHE 49 4.283 -3.396 8.069 379 HE1 PHE 49 1HE PHE 49 -0.269 -5.247 8.018 380 HE2 PHE 49 2HE PHE 49 3.480 -4.724 9.977 381 HZ PHE 49 HZ PHE 49 1.197 -5.652 9.956 382 H ALA 50 H ALA 50 1.974 -1.548 3.038 383 HA ALA 50 HA ALA 50 4.584 -1.034 1.875 384 HB1 ALA 50 1HB ALA 50 2.309 -1.751 0.042 385 HB2 ALA 50 2HB ALA 50 3.605 -2.858 0.497 386 HB3 ALA 50 3HB ALA 50 3.978 -1.388 -0.403 387 H PHE 51 H PHE 51 4.318 0.715 0.070 388 HA PHE 51 HA PHE 51 2.434 2.765 1.053 389 HB2 PHE 51 2HB PHE 51 5.311 2.930 0.229 390 HB3 PHE 51 1HB PHE 51 4.272 4.330 0.001 391 HD1 PHE 51 1HD PHE 51 3.199 5.392 1.983 392 HD2 PHE 51 2HD PHE 51 6.145 2.343 2.351 393 HE1 PHE 51 1HE PHE 51 3.590 6.053 4.322 394 HE2 PHE 51 2HE PHE 51 6.537 2.999 4.689 395 HZ PHE 51 HZ PHE 51 5.259 4.858 5.677 396 H VAL 52 H VAL 52 1.049 3.602 -0.424 397 HA VAL 52 HA VAL 52 1.547 2.993 -3.268 398 HB VAL 52 HB VAL 52 -1.131 3.570 -1.981 399 HG11 VAL 52 1HG1 VAL 52 -2.085 3.352 -4.015 400 HG12 VAL 52 2HG1 VAL 52 -0.945 2.115 -4.538 401 HG13 VAL 52 3HG1 VAL 52 -0.485 3.816 -4.595 402 HG21 VAL 52 3HG2 VAL 52 0.352 1.294 -1.594 403 HG22 VAL 52 1HG2 VAL 52 -0.657 0.862 -2.973 404 HG23 VAL 52 2HG2 VAL 52 -1.403 1.407 -1.472 405 H GLU 53 H GLU 53 1.798 4.646 -4.661 406 HA GLU 53 HA GLU 53 1.165 7.365 -3.710 407 HB2 GLU 53 2HB GLU 53 3.530 7.185 -3.952 408 HB3 GLU 53 1HB GLU 53 3.383 6.332 -5.476 409 HG2 GLU 53 2HG GLU 53 3.684 8.246 -6.519 410 HG3 GLU 53 1HG GLU 53 2.128 8.790 -5.895 411 H PHE 54 H PHE 54 -0.060 8.666 -5.008 412 HA PHE 54 HA PHE 54 -1.052 7.446 -7.486 413 HB2 PHE 54 2HB PHE 54 -2.445 9.299 -5.551 414 HB3 PHE 54 1HB PHE 54 -3.124 8.754 -7.085 415 HD1 PHE 54 2HD PHE 54 -1.681 7.418 -3.925 416 HD2 PHE 54 1HD PHE 54 -4.389 6.851 -7.147 417 HE1 PHE 54 2HE PHE 54 -2.540 5.387 -2.836 418 HE2 PHE 54 1HE PHE 54 -5.258 4.818 -6.071 419 HZ PHE 54 HZ PHE 54 -4.333 4.085 -3.913 420 H GLU 55 H GLU 55 -1.705 8.874 -9.170 421 HA GLU 55 HA GLU 55 0.245 10.928 -9.632 422 HB2 GLU 55 2HB GLU 55 -0.687 9.337 -11.386 423 HB3 GLU 55 1HB GLU 55 -2.168 10.280 -11.331 424 HG2 GLU 55 2HG GLU 55 -1.286 11.547 -12.917 425 HG3 GLU 55 1HG GLU 55 -0.202 12.182 -11.683 426 H LEU 56 H LEU 56 -3.117 10.683 -8.774 427 HA LEU 56 HA LEU 56 -3.316 13.624 -8.664 428 HB2 LEU 56 2HB LEU 56 -5.459 11.521 -8.928 429 HB3 LEU 56 1HB LEU 56 -5.776 13.236 -8.742 430 HG LEU 56 HG LEU 56 -4.308 11.963 -11.054 431 HD11 LEU 56 1HD1 LEU 56 -6.531 11.347 -11.354 432 HD12 LEU 56 2HD1 LEU 56 -6.405 12.852 -12.266 433 HD13 LEU 56 3HD1 LEU 56 -7.144 12.851 -10.665 434 HD21 LEU 56 3HD2 LEU 56 -3.490 14.183 -10.719 435 HD22 LEU 56 1HD2 LEU 56 -5.121 14.810 -10.486 436 HD23 LEU 56 2HD2 LEU 56 -4.618 14.230 -12.074 437 H ALA 57 H ALA 57 -3.403 14.525 -6.715 438 HA ALA 57 HA ALA 57 -3.163 13.121 -4.335 439 HB1 ALA 57 1HB ALA 57 -4.409 15.823 -4.301 440 HB2 ALA 57 2HB ALA 57 -2.770 15.642 -4.927 441 HB3 ALA 57 3HB ALA 57 -3.142 15.150 -3.275 442 H GLU 58 H GLU 58 -6.074 14.490 -5.821 443 HA GLU 58 HA GLU 58 -7.811 13.831 -3.690 444 HB2 GLU 58 2HB GLU 58 -8.236 14.494 -6.589 445 HB3 GLU 58 1HB GLU 58 -9.585 14.020 -5.562 446 HG2 GLU 58 2HG GLU 58 -8.717 15.879 -3.985 447 HG3 GLU 58 1HG GLU 58 -7.864 16.456 -5.415 448 H ASP 59 H ASP 59 -6.600 12.039 -6.426 449 HA ASP 59 HA ASP 59 -8.480 9.959 -6.482 450 HB2 ASP 59 2HB ASP 59 -5.825 10.469 -7.573 451 HB3 ASP 59 1HB ASP 59 -6.074 8.774 -7.192 452 H ALA 60 H ALA 60 -5.591 10.446 -4.530 453 HA ALA 60 HA ALA 60 -5.390 7.889 -3.417 454 HB1 ALA 60 1HB ALA 60 -4.155 10.404 -3.050 455 HB2 ALA 60 2HB ALA 60 -3.620 8.831 -2.464 456 HB3 ALA 60 3HB ALA 60 -4.663 9.837 -1.459 457 H ALA 61 H ALA 61 -7.291 10.701 -2.412 458 HA ALA 61 HA ALA 61 -8.248 9.809 0.031 459 HB1 ALA 61 1HB ALA 61 -10.210 11.195 -1.684 460 HB2 ALA 61 2HB ALA 61 -8.668 12.018 -1.450 461 HB3 ALA 61 3HB ALA 61 -9.654 11.579 -0.055 462 H ALA 62 H ALA 62 -9.225 8.952 -3.211 463 HA ALA 62 HA ALA 62 -11.603 7.568 -2.503 464 HB1 ALA 62 1HB ALA 62 -10.997 6.409 -4.821 465 HB2 ALA 62 2HB ALA 62 -9.912 7.794 -4.931 466 HB3 ALA 62 3HB ALA 62 -11.644 8.046 -4.732 467 H ALA 63 H ALA 63 -8.254 6.550 -3.120 468 HA ALA 63 HA ALA 63 -8.653 3.784 -2.678 469 HB1 ALA 63 1HB ALA 63 -6.574 3.921 -3.515 470 HB2 ALA 63 2HB ALA 63 -6.059 4.295 -1.872 471 HB3 ALA 63 3HB ALA 63 -6.397 5.599 -3.008 472 H ILE 64 H ILE 64 -7.956 6.523 -0.647 473 HA ILE 64 HA ILE 64 -7.465 5.230 1.797 474 HB ILE 64 HB ILE 64 -8.594 7.939 1.123 475 HG12 ILE 64 2HG1 ILE 64 -5.857 7.231 2.195 476 HG13 ILE 64 1HG1 ILE 64 -6.212 7.375 0.478 477 HG21 ILE 64 1HG2 ILE 64 -8.129 6.653 3.761 478 HG22 ILE 64 2HG2 ILE 64 -9.332 7.850 3.281 479 HG23 ILE 64 3HG2 ILE 64 -7.668 8.348 3.595 480 HD11 ILE 64 3HD1 ILE 64 -7.075 9.678 2.040 481 HD12 ILE 64 1HD1 ILE 64 -6.148 9.601 0.542 482 HD13 ILE 64 2HD1 ILE 64 -5.336 9.387 2.093 483 H ASP 65 H ASP 65 -10.438 6.675 0.469 484 HA ASP 65 HA ASP 65 -12.040 5.729 2.658 485 HB2 ASP 65 2HB ASP 65 -12.535 7.308 0.174 486 HB3 ASP 65 1HB ASP 65 -13.909 6.546 0.970 487 H ASN 66 H ASN 66 -10.894 4.269 -0.157 488 HA ASN 66 HA ASN 66 -13.216 2.458 -0.266 489 HB2 ASN 66 2HB ASN 66 -11.712 3.626 -2.316 490 HB3 ASN 66 1HB ASN 66 -11.236 1.935 -2.318 491 HD21 ASN 66 1HD2 ASN 66 -12.300 2.269 -4.490 492 HD22 ASN 66 2HD2 ASN 66 -13.989 1.919 -4.585 493 H MET 67 H MET 67 -9.659 2.369 -0.056 494 HA MET 67 HA MET 67 -9.704 -0.483 0.370 495 HB2 MET 67 2HB MET 67 -7.487 1.550 0.319 496 HB3 MET 67 1HB MET 67 -7.208 -0.136 0.727 497 HG2 MET 67 2HG MET 67 -8.665 0.482 -1.784 498 HG3 MET 67 1HG MET 67 -6.925 0.758 -1.729 499 HE1 MET 67 3HE MET 67 -9.125 -3.194 -2.045 500 HE2 MET 67 1HE MET 67 -9.552 -1.621 -2.719 501 HE3 MET 67 2HE MET 67 -9.733 -1.919 -0.991 502 H ASN 68 H ASN 68 -9.816 2.303 2.410 503 HA ASN 68 HA ASN 68 -8.596 1.253 4.713 504 HB2 ASN 68 2HB ASN 68 -9.188 3.639 4.455 505 HB3 ASN 68 1HB ASN 68 -10.894 3.219 4.591 506 HD21 ASN 68 1HD2 ASN 68 -7.813 3.214 6.272 507 HD22 ASN 68 2HD2 ASN 68 -8.470 3.256 7.869 508 H GLU 69 H GLU 69 -9.105 -0.534 5.729 509 HA GLU 69 HA GLU 69 -10.264 -2.170 6.787 510 HB2 GLU 69 2HB GLU 69 -11.865 0.200 7.120 511 HB3 GLU 69 1HB GLU 69 -12.909 -1.207 6.970 512 HG2 GLU 69 2HG GLU 69 -11.734 -2.301 8.788 513 HG3 GLU 69 1HG GLU 69 -10.634 -0.930 8.920 514 H SER 70 H SER 70 -10.022 -2.288 4.009 515 HA SER 70 HA SER 70 -12.593 -3.386 3.113 516 HB2 SER 70 2HB SER 70 -10.950 -1.685 1.796 517 HB3 SER 70 1HB SER 70 -10.321 -3.226 1.212 518 HG SER 70 HG SER 70 -12.883 -3.500 1.031 519 H GLU 71 H GLU 71 -11.688 -5.147 1.174 520 HA GLU 71 HA GLU 71 -10.163 -7.138 2.717 521 HB2 GLU 71 2HB GLU 71 -12.726 -7.493 2.522 522 HB3 GLU 71 1HB GLU 71 -12.383 -7.929 0.854 523 HG2 GLU 71 2HG GLU 71 -11.586 -9.932 1.419 524 HG3 GLU 71 1HG GLU 71 -10.664 -9.286 2.775 525 H LEU 72 H LEU 72 -8.437 -7.893 1.699 526 HA LEU 72 HA LEU 72 -8.401 -7.957 -1.234 527 HB2 LEU 72 2HB LEU 72 -7.133 -5.963 0.084 528 HB3 LEU 72 1HB LEU 72 -5.868 -7.175 0.077 529 HG LEU 72 HG LEU 72 -6.197 -7.324 -2.438 530 HD11 LEU 72 1HD1 LEU 72 -7.447 -4.619 -2.224 531 HD12 LEU 72 2HD1 LEU 72 -8.456 -6.066 -2.191 532 HD13 LEU 72 3HD1 LEU 72 -7.425 -5.741 -3.585 533 HD21 LEU 72 3HD2 LEU 72 -4.322 -6.152 -1.324 534 HD22 LEU 72 1HD2 LEU 72 -5.279 -4.670 -1.336 535 HD23 LEU 72 2HD2 LEU 72 -4.786 -5.414 -2.859 536 H PHE 73 H PHE 73 -7.830 -9.928 -1.924 537 HA PHE 73 HA PHE 73 -7.050 -12.064 -1.927 538 HB2 PHE 73 2HB PHE 73 -4.875 -10.596 -0.462 539 HB3 PHE 73 1HB PHE 73 -4.780 -12.339 -0.675 540 HD1 PHE 73 2HD PHE 73 -5.762 -12.766 -3.360 541 HD2 PHE 73 1HD PHE 73 -3.311 -9.635 -1.842 542 HE1 PHE 73 2HE PHE 73 -4.799 -12.438 -5.601 543 HE2 PHE 73 1HE PHE 73 -2.343 -9.305 -4.080 544 HZ PHE 73 HZ PHE 73 -3.087 -10.704 -5.962 545 H GLY 74 H GLY 74 -8.970 -11.329 0.064 546 HA2 GLY 74 2HA GLY 74 -10.050 -12.404 1.793 547 HA3 GLY 74 1HA GLY 74 -8.787 -13.627 1.753 548 H ARG 75 H ARG 75 -7.775 -10.360 2.067 549 HA ARG 75 HA ARG 75 -7.394 -10.715 4.958 550 HB2 ARG 75 2HB ARG 75 -5.437 -9.326 3.130 551 HB3 ARG 75 1HB ARG 75 -5.205 -9.760 4.818 552 HG2 ARG 75 2HG ARG 75 -5.819 -12.042 3.110 553 HG3 ARG 75 1HG ARG 75 -4.337 -11.196 2.659 554 HD2 ARG 75 2HD ARG 75 -3.382 -11.528 4.785 555 HD3 ARG 75 1HD ARG 75 -4.924 -12.007 5.488 556 HE ARG 75 HE ARG 75 -3.343 -13.635 3.609 557 HH11 ARG 75 1HH1 ARG 75 -5.724 -13.390 6.162 558 HH12 ARG 75 2HH1 ARG 75 -5.859 -15.103 6.357 559 HH21 ARG 75 1HH2 ARG 75 -3.533 -15.876 3.870 560 HH22 ARG 75 2HH2 ARG 75 -4.619 -16.513 5.060 561 H THR 76 H THR 76 -7.568 -8.912 6.234 562 HA THR 76 HA THR 76 -9.081 -6.722 5.085 563 HB THR 76 HB THR 76 -8.249 -6.850 7.966 564 HG1 THR 76 1HG THR 76 -9.681 -8.757 6.706 565 HG21 THR 76 3HG2 THR 76 -10.586 -6.004 8.280 566 HG22 THR 76 1HG2 THR 76 -10.668 -5.816 6.529 567 HG23 THR 76 2HG2 THR 76 -9.477 -4.907 7.460 568 H ILE 77 H ILE 77 -8.119 -4.938 4.358 569 HA ILE 77 HA ILE 77 -5.452 -4.282 5.395 570 HB ILE 77 HB ILE 77 -5.192 -2.972 3.259 571 HG12 ILE 77 2HG1 ILE 77 -7.464 -4.657 2.227 572 HG13 ILE 77 1HG1 ILE 77 -7.741 -3.037 2.862 573 HG21 ILE 77 1HG2 ILE 77 -3.939 -4.772 2.872 574 HG22 ILE 77 2HG2 ILE 77 -5.307 -5.430 1.976 575 HG23 ILE 77 3HG2 ILE 77 -5.092 -5.836 3.676 576 HD11 ILE 77 3HD1 ILE 77 -5.598 -3.213 0.877 577 HD12 ILE 77 1HD1 ILE 77 -6.917 -2.055 1.035 578 HD13 ILE 77 2HD1 ILE 77 -7.206 -3.619 0.274 579 H ARG 78 H ARG 78 -4.903 -2.129 5.708 580 HA ARG 78 HA ARG 78 -7.140 -0.234 5.981 581 HB2 ARG 78 2HB ARG 78 -4.902 -0.818 7.918 582 HB3 ARG 78 1HB ARG 78 -5.837 0.669 7.985 583 HG2 ARG 78 2HG ARG 78 -7.581 -0.332 8.954 584 HG3 ARG 78 1HG ARG 78 -7.493 -1.729 7.882 585 HD2 ARG 78 2HD ARG 78 -6.772 -2.879 9.651 586 HD3 ARG 78 1HD ARG 78 -5.255 -1.997 9.487 587 HE ARG 78 HE ARG 78 -6.793 -0.337 10.979 588 HH11 ARG 78 1HH1 ARG 78 -5.876 -3.692 11.286 589 HH12 ARG 78 2HH1 ARG 78 -5.956 -3.683 13.015 590 HH21 ARG 78 1HH2 ARG 78 -6.894 -0.325 13.252 591 HH22 ARG 78 2HH2 ARG 78 -6.534 -1.773 14.132 592 H VAL 79 H VAL 79 -6.755 1.786 5.173 593 HA VAL 79 HA VAL 79 -4.005 2.338 4.281 594 HB VAL 79 HB VAL 79 -6.566 3.037 2.841 595 HG11 VAL 79 1HG1 VAL 79 -4.319 3.316 1.154 596 HG12 VAL 79 2HG1 VAL 79 -3.968 4.200 2.635 597 HG13 VAL 79 3HG1 VAL 79 -5.423 4.568 1.714 598 HG21 VAL 79 3HG2 VAL 79 -4.523 0.890 2.466 599 HG22 VAL 79 1HG2 VAL 79 -5.431 1.506 1.086 600 HG23 VAL 79 2HG2 VAL 79 -6.284 0.778 2.447 601 H ASN 80 H ASN 80 -3.313 4.510 4.301 602 HA ASN 80 HA ASN 80 -5.029 6.577 5.321 603 HB2 ASN 80 2HB ASN 80 -4.247 5.267 7.357 604 HB3 ASN 80 1HB ASN 80 -2.623 5.838 6.985 605 HD21 ASN 80 1HD2 ASN 80 -2.646 6.853 9.052 606 HD22 ASN 80 2HD2 ASN 80 -3.450 8.364 9.275 607 H LEU 81 H LEU 81 -3.998 8.681 5.309 608 HA LEU 81 HA LEU 81 -2.144 8.918 3.135 609 HB2 LEU 81 2HB LEU 81 -4.062 10.557 4.343 610 HB3 LEU 81 1HB LEU 81 -2.532 11.364 4.637 611 HG LEU 81 HG LEU 81 -3.289 10.436 1.884 612 HD11 LEU 81 1HD1 LEU 81 -5.129 11.807 2.494 613 HD12 LEU 81 2HD1 LEU 81 -4.056 12.794 1.502 614 HD13 LEU 81 3HD1 LEU 81 -4.074 12.998 3.253 615 HD21 LEU 81 3HD2 LEU 81 -1.761 12.258 1.243 616 HD22 LEU 81 1HD2 LEU 81 -0.973 11.027 2.230 617 HD23 LEU 81 2HD2 LEU 81 -1.443 12.568 2.949 618 H ALA 82 H ALA 82 -0.001 8.922 3.258 619 HA ALA 82 HA ALA 82 1.401 8.603 5.672 620 HB1 ALA 82 1HB ALA 82 2.108 8.936 2.833 621 HB2 ALA 82 2HB ALA 82 2.672 7.759 4.016 622 HB3 ALA 82 3HB ALA 82 3.359 9.382 3.993 623 H LYS 83 H LYS 83 3.407 10.077 6.098 624 HA LYS 83 HA LYS 83 3.053 12.883 5.683 625 HB2 LYS 83 2HB LYS 83 2.849 13.412 8.142 626 HB3 LYS 83 1HB LYS 83 1.407 12.744 7.393 627 HG2 LYS 83 2HG LYS 83 2.493 10.474 8.274 628 HG3 LYS 83 1HG LYS 83 3.188 11.589 9.453 629 HD2 LYS 83 2HD LYS 83 1.111 10.725 10.319 630 HD3 LYS 83 1HD LYS 83 0.904 12.433 9.930 631 HE2 LYS 83 2HE LYS 83 -0.840 11.896 8.667 632 HE3 LYS 83 1HE LYS 83 0.240 10.998 7.600 633 HZ1 LYS 83 3HZ LYS 83 -1.047 9.278 8.187 634 HZ2 LYS 83 1HZ LYS 83 -1.622 10.028 9.590 635 HZ3 LYS 83 2HZ LYS 83 -0.118 9.254 9.599 Start of MODEL 2 1 H1 GLY -2 1HT GLY -2 10.740 17.390 8.225 2 H2 GLY -2 2HT GLY -2 10.332 18.986 8.604 3 H3 GLY -2 3HT GLY -2 10.456 18.505 6.987 4 HA2 GLY -2 1HA GLY -2 8.562 17.043 8.654 5 HA3 GLY -2 2HA GLY -2 8.140 18.698 8.238 6 H SER -1 H SER -1 6.550 18.419 6.771 7 HA SER -1 HA SER -1 7.289 17.084 4.268 8 HB2 SER -1 2HB SER -1 5.065 16.360 6.075 9 HB3 SER -1 1HB SER -1 4.641 16.479 4.367 10 HG SER -1 HG SER -1 6.541 15.086 4.021 11 H THR 3 H THR 3 6.351 17.943 2.410 12 HA THR 3 HA THR 3 4.853 20.453 2.798 13 HB THR 3 HB THR 3 6.612 20.060 0.412 14 HG1 THR 3 1HG THR 3 7.554 21.007 2.912 15 HG21 THR 3 3HG2 THR 3 5.094 22.186 1.432 16 HG22 THR 3 1HG2 THR 3 6.195 22.194 0.054 17 HG23 THR 3 2HG2 THR 3 6.790 22.618 1.659 18 H THR 4 H THR 4 5.161 17.474 1.023 19 HA THR 4 HA THR 4 2.691 18.151 -0.438 20 HB THR 4 HB THR 4 4.841 16.314 -1.492 21 HG1 THR 4 1HG THR 4 5.907 18.068 -1.886 22 HG21 THR 4 3HG2 THR 4 2.928 15.837 -2.692 23 HG22 THR 4 1HG2 THR 4 3.723 17.063 -3.682 24 HG23 THR 4 2HG2 THR 4 2.363 17.508 -2.650 25 H LYS 5 H LYS 5 1.349 16.311 -1.019 26 HA LYS 5 HA LYS 5 1.743 13.924 0.640 27 HB2 LYS 5 2HB LYS 5 -0.924 15.322 0.409 28 HB3 LYS 5 1HB LYS 5 -0.521 13.952 1.432 29 HG2 LYS 5 2HG LYS 5 0.956 16.506 1.818 30 HG3 LYS 5 1HG LYS 5 -0.699 16.376 2.410 31 HD2 LYS 5 2HD LYS 5 -0.160 14.646 3.887 32 HD3 LYS 5 1HD LYS 5 1.351 14.281 3.048 33 HE2 LYS 5 2HE LYS 5 1.941 16.750 3.743 34 HE3 LYS 5 1HE LYS 5 0.722 16.459 4.983 35 HZ1 LYS 5 3HZ LYS 5 2.883 15.895 5.823 36 HZ2 LYS 5 1HZ LYS 5 3.182 14.862 4.517 37 HZ3 LYS 5 2HZ LYS 5 1.984 14.472 5.646 38 H ARG 6 H ARG 6 0.587 12.065 -0.099 39 HA ARG 6 HA ARG 6 -1.150 11.763 -2.152 40 HB2 ARG 6 2HB ARG 6 1.417 12.634 -3.192 41 HB3 ARG 6 1HB ARG 6 0.965 11.066 -3.850 42 HG2 ARG 6 2HG ARG 6 -1.256 12.073 -4.451 43 HG3 ARG 6 1HG ARG 6 -0.581 13.641 -4.012 44 HD2 ARG 6 2HD ARG 6 1.272 12.368 -5.732 45 HD3 ARG 6 1HD ARG 6 -0.326 12.202 -6.453 46 HE ARG 6 HE ARG 6 -0.381 14.464 -6.820 47 HH11 ARG 6 1HH1 ARG 6 2.275 13.721 -4.679 48 HH12 ARG 6 2HH1 ARG 6 2.973 15.302 -4.795 49 HH21 ARG 6 1HH2 ARG 6 0.539 16.537 -6.980 50 HH22 ARG 6 2HH2 ARG 6 1.983 16.904 -6.099 51 H VAL 7 H VAL 7 1.663 10.606 -0.501 52 HA VAL 7 HA VAL 7 1.326 7.878 -1.350 53 HB VAL 7 HB VAL 7 3.026 7.473 0.537 54 HG11 VAL 7 1HG1 VAL 7 3.501 8.941 -2.009 55 HG12 VAL 7 2HG1 VAL 7 3.906 7.281 -1.575 56 HG13 VAL 7 3HG1 VAL 7 4.857 8.619 -0.928 57 HG21 VAL 7 3HG2 VAL 7 3.802 10.314 0.300 58 HG22 VAL 7 1HG2 VAL 7 3.997 9.191 1.646 59 HG23 VAL 7 2HG2 VAL 7 2.431 9.947 1.350 60 H LEU 8 H LEU 8 0.269 6.282 -0.305 61 HA LEU 8 HA LEU 8 -0.964 6.953 2.286 62 HB2 LEU 8 2HB LEU 8 -2.102 4.962 0.349 63 HB3 LEU 8 1HB LEU 8 -2.888 5.715 1.722 64 HG LEU 8 HG LEU 8 -2.039 7.297 -0.691 65 HD11 LEU 8 1HD1 LEU 8 -4.747 6.067 -0.206 66 HD12 LEU 8 2HD1 LEU 8 -3.554 5.434 -1.339 67 HD13 LEU 8 3HD1 LEU 8 -4.246 7.034 -1.591 68 HD21 LEU 8 3HD2 LEU 8 -4.286 8.418 0.426 69 HD22 LEU 8 1HD2 LEU 8 -2.628 8.950 0.696 70 HD23 LEU 8 2HD2 LEU 8 -3.396 7.844 1.836 71 H TYR 9 H TYR 9 -1.358 5.127 3.736 72 HA TYR 9 HA TYR 9 0.685 3.026 3.354 73 HB2 TYR 9 2HB TYR 9 0.948 4.582 5.339 74 HB3 TYR 9 1HB TYR 9 -0.525 3.871 5.990 75 HD1 TYR 9 1HD TYR 9 -0.461 1.163 5.983 76 HD2 TYR 9 2HD TYR 9 2.942 3.721 6.117 77 HE1 TYR 9 1HE TYR 9 0.863 -0.662 6.962 78 HE2 TYR 9 2HE TYR 9 4.270 1.902 7.106 79 HH TYR 9 HH TYR 9 3.557 -0.313 8.576 80 H VAL 10 H VAL 10 0.098 0.908 3.439 81 HA VAL 10 HA VAL 10 -2.773 0.375 3.824 82 HB VAL 10 HB VAL 10 -0.771 -1.337 2.343 83 HG11 VAL 10 1HG1 VAL 10 -2.501 -2.744 3.051 84 HG12 VAL 10 2HG1 VAL 10 -2.955 -2.296 1.406 85 HG13 VAL 10 3HG1 VAL 10 -3.734 -1.511 2.780 86 HG21 VAL 10 3HG2 VAL 10 -1.595 -0.476 0.304 87 HG22 VAL 10 1HG2 VAL 10 -1.271 0.929 1.317 88 HG23 VAL 10 2HG2 VAL 10 -2.925 0.360 1.106 89 H GLY 11 H GLY 11 -3.329 -0.703 5.613 90 HA2 GLY 11 2HA GLY 11 -1.254 -2.349 6.920 91 HA3 GLY 11 1HA GLY 11 -2.374 -1.341 7.820 92 H GLY 12 H GLY 12 -1.735 -4.425 6.844 93 HA2 GLY 12 2HA GLY 12 -3.225 -6.120 7.871 94 HA3 GLY 12 1HA GLY 12 -4.560 -5.231 7.140 95 H LEU 13 H LEU 13 -1.398 -6.244 5.962 96 HA LEU 13 HA LEU 13 -2.691 -7.362 3.588 97 HB2 LEU 13 2HB LEU 13 0.048 -6.304 4.133 98 HB3 LEU 13 1HB LEU 13 -0.303 -7.215 2.693 99 HG LEU 13 HG LEU 13 -1.656 -4.630 3.447 100 HD11 LEU 13 1HD1 LEU 13 0.195 -4.707 1.163 101 HD12 LEU 13 2HD1 LEU 13 0.938 -4.810 2.760 102 HD13 LEU 13 3HD1 LEU 13 -0.097 -3.441 2.356 103 HD21 LEU 13 3HD2 LEU 13 -2.783 -4.725 1.448 104 HD22 LEU 13 1HD2 LEU 13 -2.703 -6.441 1.833 105 HD23 LEU 13 2HD2 LEU 13 -1.565 -5.742 0.686 106 H ALA 14 H ALA 14 -0.917 -8.976 2.544 107 HA ALA 14 HA ALA 14 -0.095 -10.942 4.561 108 HB1 ALA 14 1HB ALA 14 -1.177 -12.725 3.569 109 HB2 ALA 14 2HB ALA 14 -1.311 -11.912 2.011 110 HB3 ALA 14 3HB ALA 14 -2.360 -11.437 3.344 111 H GLU 15 H GLU 15 0.917 -12.859 2.836 112 HA GLU 15 HA GLU 15 3.290 -11.508 1.878 113 HB2 GLU 15 2HB GLU 15 2.494 -14.408 2.065 114 HB3 GLU 15 1HB GLU 15 3.996 -13.890 1.311 115 HG2 GLU 15 2HG GLU 15 4.932 -13.238 3.297 116 HG3 GLU 15 1HG GLU 15 3.370 -12.973 4.072 117 H GLU 16 H GLU 16 0.334 -12.103 0.512 118 HA GLU 16 HA GLU 16 1.278 -12.857 -2.120 119 HB2 GLU 16 2HB GLU 16 -1.508 -11.939 -1.847 120 HB3 GLU 16 1HB GLU 16 -0.869 -13.397 -2.592 121 HG2 GLU 16 2HG GLU 16 -0.452 -14.167 -0.162 122 HG3 GLU 16 1HG GLU 16 -1.594 -12.893 0.262 123 H VAL 17 H VAL 17 0.221 -9.950 -0.470 124 HA VAL 17 HA VAL 17 -0.150 -8.396 -2.802 125 HB VAL 17 HB VAL 17 -1.203 -7.894 -0.605 126 HG11 VAL 17 1HG1 VAL 17 0.089 -6.714 1.078 127 HG12 VAL 17 2HG1 VAL 17 1.550 -6.910 0.122 128 HG13 VAL 17 3HG1 VAL 17 0.744 -8.321 0.804 129 HG21 VAL 17 3HG2 VAL 17 -0.312 -6.150 -2.569 130 HG22 VAL 17 1HG2 VAL 17 0.158 -5.375 -1.059 131 HG23 VAL 17 2HG2 VAL 17 -1.525 -5.813 -1.340 132 H ASP 18 H ASP 18 1.099 -6.914 -3.719 133 HA ASP 18 HA ASP 18 3.742 -6.271 -2.788 134 HB2 ASP 18 2HB ASP 18 3.453 -8.474 -4.513 135 HB3 ASP 18 1HB ASP 18 4.010 -7.155 -5.536 136 H ASP 19 H ASP 19 4.842 -5.003 -4.775 137 HA ASP 19 HA ASP 19 3.301 -2.678 -5.139 138 HB2 ASP 19 2HB ASP 19 5.754 -2.658 -5.118 139 HB3 ASP 19 1HB ASP 19 5.787 -3.617 -6.591 140 H LYS 20 H LYS 20 3.760 -5.542 -7.032 141 HA LYS 20 HA LYS 20 2.820 -4.586 -9.509 142 HB2 LYS 20 2HB LYS 20 2.883 -6.835 -10.201 143 HB3 LYS 20 1HB LYS 20 4.165 -6.678 -9.010 144 HG2 LYS 20 2HG LYS 20 2.666 -7.669 -7.319 145 HG3 LYS 20 1HG LYS 20 1.458 -7.919 -8.581 146 HD2 LYS 20 2HD LYS 20 2.553 -9.685 -9.456 147 HD3 LYS 20 1HD LYS 20 4.139 -8.955 -9.206 148 HE2 LYS 20 2HE LYS 20 3.877 -10.964 -7.851 149 HE3 LYS 20 1HE LYS 20 4.035 -9.532 -6.835 150 HZ1 LYS 20 3HZ LYS 20 1.492 -9.554 -6.836 151 HZ2 LYS 20 1HZ LYS 20 2.291 -10.704 -5.887 152 HZ3 LYS 20 2HZ LYS 20 1.628 -11.151 -7.377 153 H VAL 21 H VAL 21 1.209 -6.377 -6.917 154 HA VAL 21 HA VAL 21 -1.316 -6.417 -8.238 155 HB VAL 21 HB VAL 21 -0.389 -7.951 -6.326 156 HG11 VAL 21 1HG1 VAL 21 -1.124 -7.421 -4.136 157 HG12 VAL 21 2HG1 VAL 21 -1.960 -5.977 -4.701 158 HG13 VAL 21 3HG1 VAL 21 -0.201 -6.050 -4.740 159 HG21 VAL 21 3HG2 VAL 21 -2.993 -8.075 -5.590 160 HG22 VAL 21 1HG2 VAL 21 -2.348 -8.775 -7.076 161 HG23 VAL 21 2HG2 VAL 21 -3.120 -7.189 -7.109 162 H LEU 22 H LEU 22 0.071 -4.481 -5.633 163 HA LEU 22 HA LEU 22 -2.218 -2.952 -5.067 164 HB2 LEU 22 2HB LEU 22 0.730 -2.420 -4.751 165 HB3 LEU 22 1HB LEU 22 -0.468 -1.224 -4.296 166 HG LEU 22 HG LEU 22 -0.974 -3.872 -3.150 167 HD11 LEU 22 1HD1 LEU 22 1.693 -2.676 -2.934 168 HD12 LEU 22 2HD1 LEU 22 1.153 -4.318 -2.590 169 HD13 LEU 22 3HD1 LEU 22 0.938 -3.050 -1.387 170 HD21 LEU 22 3HD2 LEU 22 -0.565 -1.670 -1.321 171 HD22 LEU 22 1HD2 LEU 22 -2.005 -2.639 -1.622 172 HD23 LEU 22 2HD2 LEU 22 -1.658 -1.236 -2.632 173 H HIS 23 H HIS 23 0.364 -2.646 -7.414 174 HA HIS 23 HA HIS 23 -0.232 -0.102 -8.407 175 HB2 HIS 23 2HB HIS 23 1.813 -1.214 -9.014 176 HB3 HIS 23 1HB HIS 23 0.932 -2.562 -9.725 177 HD1 HIS 23 1HD HIS 23 0.997 -2.473 -12.190 178 HD2 HIS 23 2HD HIS 23 0.986 1.335 -10.527 179 HE1 HIS 23 1HE HIS 23 1.098 -0.886 -14.141 180 HE2 HIS 23 2HE HIS 23 1.185 1.408 -13.103 181 H ALA 24 H ALA 24 -1.244 -3.276 -9.616 182 HA ALA 24 HA ALA 24 -3.078 -2.288 -11.528 183 HB1 ALA 24 1HB ALA 24 -2.721 -5.005 -10.297 184 HB2 ALA 24 2HB ALA 24 -2.164 -4.442 -11.873 185 HB3 ALA 24 3HB ALA 24 -3.889 -4.663 -11.576 186 H ALA 25 H ALA 25 -3.524 -3.584 -8.259 187 HA ALA 25 HA ALA 25 -6.342 -3.511 -8.286 188 HB1 ALA 25 1HB ALA 25 -6.008 -3.587 -5.735 189 HB2 ALA 25 2HB ALA 25 -4.300 -3.769 -6.133 190 HB3 ALA 25 3HB ALA 25 -5.471 -4.952 -6.717 191 H PHE 26 H PHE 26 -3.951 -1.115 -7.316 192 HA PHE 26 HA PHE 26 -6.088 0.576 -6.307 193 HB2 PHE 26 2HB PHE 26 -3.094 0.841 -6.211 194 HB3 PHE 26 1HB PHE 26 -4.186 2.097 -5.645 195 HD1 PHE 26 2HD PHE 26 -3.942 -1.629 -5.259 196 HD2 PHE 26 1HD PHE 26 -4.406 2.172 -3.386 197 HE1 PHE 26 2HE PHE 26 -4.080 -2.724 -3.059 198 HE2 PHE 26 1HE PHE 26 -4.534 1.081 -1.189 199 HZ PHE 26 HZ PHE 26 -4.378 -1.373 -1.023 200 H ILE 27 H ILE 27 -4.498 0.099 -9.251 201 HA ILE 27 HA ILE 27 -4.281 2.736 -10.183 202 HB ILE 27 HB ILE 27 -3.478 0.489 -11.276 203 HG12 ILE 27 2HG1 ILE 27 -3.634 1.824 -13.561 204 HG13 ILE 27 1HG1 ILE 27 -4.184 3.106 -12.486 205 HG21 ILE 27 1HG2 ILE 27 -6.211 0.799 -12.422 206 HG22 ILE 27 2HG2 ILE 27 -5.351 -0.657 -11.930 207 HG23 ILE 27 3HG2 ILE 27 -4.897 0.174 -13.411 208 HD11 ILE 27 3HD1 ILE 27 -2.060 2.431 -11.119 209 HD12 ILE 27 1HD1 ILE 27 -1.940 3.500 -12.513 210 HD13 ILE 27 2HD1 ILE 27 -1.529 1.794 -12.673 211 HA PRO 28 HA PRO 28 -8.882 2.145 -11.766 212 HB2 PRO 28 2HB PRO 28 -10.442 0.839 -9.920 213 HB3 PRO 28 1HB PRO 28 -9.780 0.074 -11.366 214 HG2 PRO 28 2HG PRO 28 -8.756 0.017 -8.556 215 HG3 PRO 28 1HG PRO 28 -8.872 -1.305 -9.734 216 HD2 PRO 28 2HD PRO 28 -6.551 -0.083 -9.247 217 HD3 PRO 28 1HD PRO 28 -6.984 -0.613 -10.882 218 H PHE 29 H PHE 29 -8.099 2.131 -8.317 219 HA PHE 29 HA PHE 29 -10.001 4.163 -7.643 220 HB2 PHE 29 2HB PHE 29 -7.597 3.663 -5.936 221 HB3 PHE 29 1HB PHE 29 -9.262 3.957 -5.456 222 HD1 PHE 29 1HD PHE 29 -10.549 1.824 -7.188 223 HD2 PHE 29 2HD PHE 29 -7.134 1.758 -4.647 224 HE1 PHE 29 1HE PHE 29 -10.863 -0.591 -6.832 225 HE2 PHE 29 2HE PHE 29 -7.437 -0.649 -4.294 226 HZ PHE 29 HZ PHE 29 -9.305 -1.833 -5.384 227 H GLY 30 H GLY 30 -6.772 4.065 -8.860 228 HA2 GLY 30 2HA GLY 30 -6.638 6.669 -9.712 229 HA3 GLY 30 1HA GLY 30 -5.999 6.694 -8.076 230 H ASP 31 H ASP 31 -5.026 6.671 -11.123 231 HA ASP 31 HA ASP 31 -3.236 4.593 -11.434 232 HB2 ASP 31 2HB ASP 31 -2.637 7.387 -12.377 233 HB3 ASP 31 1HB ASP 31 -2.189 5.858 -13.127 234 H ILE 32 H ILE 32 -1.881 3.950 -9.960 235 HA ILE 32 HA ILE 32 -0.606 5.559 -8.026 236 HB ILE 32 HB ILE 32 0.090 2.814 -9.087 237 HG12 ILE 32 2HG1 ILE 32 -0.917 2.604 -6.503 238 HG13 ILE 32 1HG1 ILE 32 -1.925 3.834 -7.263 239 HG21 ILE 32 1HG2 ILE 32 1.984 4.027 -7.890 240 HG22 ILE 32 2HG2 ILE 32 1.523 2.449 -7.268 241 HG23 ILE 32 3HG2 ILE 32 0.992 3.906 -6.438 242 HD11 ILE 32 3HD1 ILE 32 -1.805 0.964 -7.721 243 HD12 ILE 32 1HD1 ILE 32 -1.807 1.925 -9.198 244 HD13 ILE 32 2HD1 ILE 32 -3.096 2.119 -8.020 245 H THR 33 H THR 33 1.564 6.158 -7.838 246 HA THR 33 HA THR 33 2.999 6.461 -10.386 247 HB THR 33 HB THR 33 3.783 8.206 -8.196 248 HG1 THR 33 1HG THR 33 1.178 8.346 -9.279 249 HG21 THR 33 3HG2 THR 33 3.119 8.605 -11.089 250 HG22 THR 33 1HG2 THR 33 4.684 8.754 -10.286 251 HG23 THR 33 2HG2 THR 33 3.426 9.955 -9.995 252 H ASP 34 H ASP 34 3.225 5.679 -6.993 253 HA ASP 34 HA ASP 34 5.583 4.159 -7.536 254 HB2 ASP 34 2HB ASP 34 6.029 6.752 -6.822 255 HB3 ASP 34 1HB ASP 34 6.082 5.944 -5.259 256 H ILE 35 H ILE 35 6.130 2.687 -5.882 257 HA ILE 35 HA ILE 35 4.428 2.613 -3.519 258 HB ILE 35 HB ILE 35 4.701 0.210 -5.325 259 HG12 ILE 35 2HG1 ILE 35 2.356 2.063 -4.858 260 HG13 ILE 35 1HG1 ILE 35 3.238 1.846 -6.365 261 HG21 ILE 35 1HG2 ILE 35 4.444 0.019 -2.737 262 HG22 ILE 35 2HG2 ILE 35 3.466 -0.993 -3.796 263 HG23 ILE 35 3HG2 ILE 35 2.765 0.450 -3.066 264 HD11 ILE 35 3HD1 ILE 35 2.465 -0.666 -6.002 265 HD12 ILE 35 1HD1 ILE 35 1.446 0.531 -6.797 266 HD13 ILE 35 2HD1 ILE 35 1.181 0.138 -5.099 267 H GLN 36 H GLN 36 5.748 2.389 -1.849 268 HA GLN 36 HA GLN 36 8.241 0.867 -2.235 269 HB2 GLN 36 2HB GLN 36 7.727 3.516 -1.130 270 HB3 GLN 36 1HB GLN 36 8.676 2.506 -0.051 271 HG2 GLN 36 2HG GLN 36 10.499 2.736 -1.292 272 HG3 GLN 36 1HG GLN 36 9.632 2.320 -2.769 273 HE21 GLN 36 1HE2 GLN 36 11.351 4.009 -3.402 274 HE22 GLN 36 2HE2 GLN 36 10.797 5.645 -3.455 275 H ILE 37 H ILE 37 8.522 -0.856 -1.038 276 HA ILE 37 HA ILE 37 6.867 -1.191 1.377 277 HB ILE 37 HB ILE 37 8.166 -3.361 -0.285 278 HG12 ILE 37 2HG1 ILE 37 5.229 -3.232 -0.217 279 HG13 ILE 37 1HG1 ILE 37 5.973 -1.853 -1.019 280 HG21 ILE 37 1HG2 ILE 37 7.791 -4.628 1.503 281 HG22 ILE 37 2HG2 ILE 37 6.066 -4.407 1.224 282 HG23 ILE 37 3HG2 ILE 37 6.926 -3.328 2.319 283 HD11 ILE 37 3HD1 ILE 37 5.880 -4.697 -1.819 284 HD12 ILE 37 1HD1 ILE 37 7.337 -3.787 -2.220 285 HD13 ILE 37 2HD1 ILE 37 5.762 -3.233 -2.796 286 HA PRO 38 HA PRO 38 10.986 -0.643 3.196 287 HB2 PRO 38 2HB PRO 38 10.168 -0.430 5.767 288 HB3 PRO 38 1HB PRO 38 10.043 0.901 4.608 289 HG2 PRO 38 2HG PRO 38 7.962 -1.072 5.450 290 HG3 PRO 38 1HG PRO 38 7.821 0.688 5.311 291 HD2 PRO 38 2HD PRO 38 6.906 -0.952 3.391 292 HD3 PRO 38 1HD PRO 38 7.654 0.609 2.992 293 H LEU 39 H LEU 39 11.269 -2.883 2.496 294 HA LEU 39 HA LEU 39 10.761 -5.054 4.318 295 HB2 LEU 39 2HB LEU 39 12.478 -4.838 1.845 296 HB3 LEU 39 1HB LEU 39 12.246 -6.322 2.746 297 HG LEU 39 HG LEU 39 9.695 -5.160 2.047 298 HD11 LEU 39 1HD1 LEU 39 9.755 -4.970 -0.219 299 HD12 LEU 39 2HD1 LEU 39 11.140 -6.049 -0.386 300 HD13 LEU 39 3HD1 LEU 39 11.376 -4.391 0.167 301 HD21 LEU 39 3HD2 LEU 39 9.143 -7.324 1.612 302 HD22 LEU 39 1HD2 LEU 39 10.561 -7.595 2.624 303 HD23 LEU 39 2HD2 LEU 39 10.699 -7.690 0.869 304 H ASP 40 H ASP 40 12.851 -6.515 4.678 305 HA ASP 40 HA ASP 40 14.577 -4.911 6.374 306 HB2 ASP 40 2HB ASP 40 13.980 -7.819 6.076 307 HB3 ASP 40 1HB ASP 40 15.528 -7.360 6.779 308 H TYR 41 H TYR 41 16.958 -5.479 6.398 309 HA TYR 41 HA TYR 41 17.938 -5.424 3.633 310 HB2 TYR 41 2HB TYR 41 20.107 -4.669 4.868 311 HB3 TYR 41 1HB TYR 41 18.777 -3.532 4.688 312 HD1 TYR 41 1HD TYR 41 19.953 -6.135 7.103 313 HD2 TYR 41 2HD TYR 41 18.173 -2.313 6.545 314 HE1 TYR 41 1HE TYR 41 19.918 -5.804 9.538 315 HE2 TYR 41 2HE TYR 41 18.133 -1.969 8.979 316 HH TYR 41 HH TYR 41 19.431 -2.844 10.985 317 H GLU 42 H GLU 42 17.951 -7.340 6.499 318 HA GLU 42 HA GLU 42 20.228 -8.930 5.639 319 HB2 GLU 42 2HB GLU 42 18.500 -8.851 8.082 320 HB3 GLU 42 1HB GLU 42 19.441 -10.296 7.740 321 HG2 GLU 42 2HG GLU 42 21.263 -8.246 7.427 322 HG3 GLU 42 1HG GLU 42 20.281 -7.729 8.796 323 H THR 43 H THR 43 16.730 -9.145 5.834 324 HA THR 43 HA THR 43 16.871 -11.732 4.427 325 HB THR 43 HB THR 43 14.799 -12.384 5.487 326 HG1 THR 43 1HG THR 43 14.870 -9.918 6.878 327 HG21 THR 43 3HG2 THR 43 15.424 -12.569 7.787 328 HG22 THR 43 1HG2 THR 43 16.580 -11.245 7.625 329 HG23 THR 43 2HG2 THR 43 16.864 -12.772 6.787 330 H GLU 44 H GLU 44 15.431 -8.550 4.548 331 HA GLU 44 HA GLU 44 14.146 -7.392 3.062 332 HB2 GLU 44 2HB GLU 44 14.813 -9.472 0.993 333 HB3 GLU 44 1HB GLU 44 14.497 -7.760 0.759 334 HG2 GLU 44 2HG GLU 44 16.599 -7.259 1.970 335 HG3 GLU 44 1HG GLU 44 16.929 -8.990 2.027 336 H LYS 45 H LYS 45 12.782 -9.023 4.702 337 HA LYS 45 HA LYS 45 10.583 -9.987 2.998 338 HB2 LYS 45 2HB LYS 45 11.761 -11.283 5.454 339 HB3 LYS 45 1HB LYS 45 10.151 -11.674 4.865 340 HG2 LYS 45 2HG LYS 45 10.989 -12.607 2.878 341 HG3 LYS 45 1HG LYS 45 12.586 -11.895 3.123 342 HD2 LYS 45 2HD LYS 45 13.193 -13.461 4.688 343 HD3 LYS 45 1HD LYS 45 11.527 -13.765 5.185 344 HE2 LYS 45 2HE LYS 45 12.645 -15.633 3.914 345 HE3 LYS 45 1HE LYS 45 11.099 -15.087 3.267 346 HZ1 LYS 45 3HZ LYS 45 13.261 -13.633 2.125 347 HZ2 LYS 45 1HZ LYS 45 12.059 -14.545 1.358 348 HZ3 LYS 45 2HZ LYS 45 13.474 -15.296 1.902 349 H HIS 46 H HIS 46 8.825 -8.838 3.332 350 HA HIS 46 HA HIS 46 8.587 -7.119 5.620 351 HB2 HIS 46 2HB HIS 46 7.658 -7.034 3.028 352 HB3 HIS 46 1HB HIS 46 6.202 -7.387 3.953 353 HD1 HIS 46 1HD HIS 46 5.198 -5.500 5.286 354 HD2 HIS 46 2HD HIS 46 8.939 -4.583 3.754 355 HE1 HIS 46 1HE HIS 46 5.522 -3.047 5.721 356 HE2 HIS 46 2HE HIS 46 7.697 -2.496 4.596 357 H ARG 47 H ARG 47 5.931 -7.060 6.180 358 HA ARG 47 HA ARG 47 5.396 -9.725 7.324 359 HB2 ARG 47 2HB ARG 47 5.804 -7.261 8.665 360 HB3 ARG 47 1HB ARG 47 4.093 -7.638 8.812 361 HG2 ARG 47 2HG ARG 47 4.716 -9.876 9.678 362 HG3 ARG 47 1HG ARG 47 6.407 -9.372 9.647 363 HD2 ARG 47 2HD ARG 47 6.124 -7.852 11.358 364 HD3 ARG 47 1HD ARG 47 4.395 -7.685 11.063 365 HE ARG 47 HE ARG 47 4.615 -10.246 11.883 366 HH11 ARG 47 1HH1 ARG 47 5.775 -7.234 13.213 367 HH12 ARG 47 2HH1 ARG 47 5.681 -7.778 14.854 368 HH21 ARG 47 1HH2 ARG 47 4.486 -10.960 14.042 369 HH22 ARG 47 2HH2 ARG 47 4.951 -9.892 15.326 370 H GLY 48 H GLY 48 3.974 -6.683 6.197 371 HA2 GLY 48 2HA GLY 48 2.109 -7.667 4.492 372 HA3 GLY 48 1HA GLY 48 1.320 -7.795 6.055 373 H PHE 49 H PHE 49 3.457 -5.269 4.710 374 HA PHE 49 HA PHE 49 1.216 -3.416 4.646 375 HB2 PHE 49 2HB PHE 49 3.704 -2.740 6.222 376 HB3 PHE 49 1HB PHE 49 2.202 -1.828 6.130 377 HD1 PHE 49 1HD PHE 49 0.103 -3.492 6.647 378 HD2 PHE 49 2HD PHE 49 4.017 -3.775 8.261 379 HE1 PHE 49 1HE PHE 49 -0.788 -4.758 8.543 380 HE2 PHE 49 2HE PHE 49 3.139 -5.045 10.178 381 HZ PHE 49 HZ PHE 49 0.728 -5.537 10.327 382 H ALA 50 H ALA 50 1.588 -1.549 3.388 383 HA ALA 50 HA ALA 50 4.165 -1.234 2.080 384 HB1 ALA 50 1HB ALA 50 1.875 -1.567 0.207 385 HB2 ALA 50 2HB ALA 50 2.674 -3.001 0.850 386 HB3 ALA 50 3HB ALA 50 3.600 -1.811 -0.064 387 H PHE 51 H PHE 51 4.083 0.557 0.413 388 HA PHE 51 HA PHE 51 2.252 2.686 1.319 389 HB2 PHE 51 2HB PHE 51 5.119 2.601 1.217 390 HB3 PHE 51 1HB PHE 51 4.550 3.825 0.088 391 HD1 PHE 51 1HD PHE 51 2.575 5.329 1.127 392 HD2 PHE 51 2HD PHE 51 5.589 3.301 3.340 393 HE1 PHE 51 1HE PHE 51 2.254 6.897 2.994 394 HE2 PHE 51 2HE PHE 51 5.276 4.867 5.211 395 HZ PHE 51 HZ PHE 51 3.605 6.669 5.041 396 H VAL 52 H VAL 52 0.954 3.527 -0.209 397 HA VAL 52 HA VAL 52 1.591 2.942 -3.029 398 HB VAL 52 HB VAL 52 -1.153 3.528 -1.901 399 HG11 VAL 52 1HG1 VAL 52 -1.938 2.584 -4.026 400 HG12 VAL 52 2HG1 VAL 52 -0.266 2.386 -4.551 401 HG13 VAL 52 3HG1 VAL 52 -0.918 4.002 -4.276 402 HG21 VAL 52 3HG2 VAL 52 -0.859 0.814 -2.755 403 HG22 VAL 52 1HG2 VAL 52 -1.320 1.439 -1.173 404 HG23 VAL 52 2HG2 VAL 52 0.381 1.181 -1.557 405 H GLU 53 H GLU 53 1.894 4.603 -4.412 406 HA GLU 53 HA GLU 53 1.203 7.304 -3.458 407 HB2 GLU 53 2HB GLU 53 3.566 7.207 -3.596 408 HB3 GLU 53 1HB GLU 53 3.524 6.301 -5.094 409 HG2 GLU 53 2HG GLU 53 3.843 8.188 -6.179 410 HG3 GLU 53 1HG GLU 53 2.240 8.708 -5.671 411 H PHE 54 H PHE 54 -0.056 8.540 -4.733 412 HA PHE 54 HA PHE 54 -0.946 7.346 -7.252 413 HB2 PHE 54 2HB PHE 54 -2.293 9.150 -5.258 414 HB3 PHE 54 1HB PHE 54 -2.913 8.961 -6.895 415 HD1 PHE 54 2HD PHE 54 -1.616 6.687 -4.226 416 HD2 PHE 54 1HD PHE 54 -4.663 7.532 -7.063 417 HE1 PHE 54 2HE PHE 54 -2.795 4.633 -3.560 418 HE2 PHE 54 1HE PHE 54 -5.852 5.478 -6.408 419 HZ PHE 54 HZ PHE 54 -4.914 4.024 -4.653 420 H GLU 55 H GLU 55 -1.537 8.833 -8.957 421 HA GLU 55 HA GLU 55 0.541 10.766 -9.420 422 HB2 GLU 55 2HB GLU 55 -0.413 9.298 -11.214 423 HB3 GLU 55 1HB GLU 55 -1.926 10.180 -11.077 424 HG2 GLU 55 2HG GLU 55 -0.459 12.264 -11.554 425 HG3 GLU 55 1HG GLU 55 0.698 11.084 -12.171 426 H LEU 56 H LEU 56 -2.762 10.689 -8.435 427 HA LEU 56 HA LEU 56 -2.786 13.627 -8.176 428 HB2 LEU 56 2HB LEU 56 -5.086 11.767 -8.757 429 HB3 LEU 56 1HB LEU 56 -5.232 13.497 -8.493 430 HG LEU 56 HG LEU 56 -3.623 12.288 -10.740 431 HD11 LEU 56 1HD1 LEU 56 -5.492 11.873 -11.857 432 HD12 LEU 56 2HD1 LEU 56 -5.989 13.556 -11.676 433 HD13 LEU 56 3HD1 LEU 56 -6.447 12.365 -10.458 434 HD21 LEU 56 3HD2 LEU 56 -4.691 15.077 -10.313 435 HD22 LEU 56 1HD2 LEU 56 -3.724 14.521 -11.681 436 HD23 LEU 56 2HD2 LEU 56 -3.019 14.574 -10.064 437 H ALA 57 H ALA 57 -3.167 14.397 -6.170 438 HA ALA 57 HA ALA 57 -3.147 12.714 -3.928 439 HB1 ALA 57 1HB ALA 57 -4.009 15.599 -4.099 440 HB2 ALA 57 2HB ALA 57 -2.362 15.017 -3.851 441 HB3 ALA 57 3HB ALA 57 -3.594 14.730 -2.621 442 H GLU 58 H GLU 58 -5.805 14.236 -5.666 443 HA GLU 58 HA GLU 58 -7.834 13.682 -3.785 444 HB2 GLU 58 2HB GLU 58 -7.674 15.008 -6.208 445 HB3 GLU 58 1HB GLU 58 -8.715 13.639 -6.572 446 HG2 GLU 58 2HG GLU 58 -10.272 14.274 -4.892 447 HG3 GLU 58 1HG GLU 58 -9.176 15.501 -4.257 448 H ASP 59 H ASP 59 -6.506 11.856 -6.475 449 HA ASP 59 HA ASP 59 -8.400 9.791 -6.554 450 HB2 ASP 59 2HB ASP 59 -5.487 9.889 -7.331 451 HB3 ASP 59 1HB ASP 59 -6.488 8.464 -7.580 452 H ALA 60 H ALA 60 -5.513 10.244 -4.595 453 HA ALA 60 HA ALA 60 -5.278 7.688 -3.517 454 HB1 ALA 60 1HB ALA 60 -4.337 9.091 -1.490 455 HB2 ALA 60 2HB ALA 60 -4.444 10.410 -2.654 456 HB3 ALA 60 3HB ALA 60 -3.465 8.989 -3.017 457 H ALA 61 H ALA 61 -7.217 10.454 -2.418 458 HA ALA 61 HA ALA 61 -8.170 9.417 -0.024 459 HB1 ALA 61 1HB ALA 61 -8.728 11.648 -1.639 460 HB2 ALA 61 2HB ALA 61 -9.278 11.343 0.009 461 HB3 ALA 61 3HB ALA 61 -10.273 10.846 -1.362 462 H ALA 62 H ALA 62 -9.111 8.755 -3.312 463 HA ALA 62 HA ALA 62 -11.513 7.360 -2.778 464 HB1 ALA 62 1HB ALA 62 -11.641 7.421 -4.999 465 HB2 ALA 62 2HB ALA 62 -10.268 6.323 -5.129 466 HB3 ALA 62 3HB ALA 62 -10.002 8.067 -5.068 467 H ALA 63 H ALA 63 -8.146 6.313 -3.226 468 HA ALA 63 HA ALA 63 -8.624 3.540 -2.903 469 HB1 ALA 63 1HB ALA 63 -6.308 5.307 -3.050 470 HB2 ALA 63 2HB ALA 63 -6.506 3.647 -3.618 471 HB3 ALA 63 3HB ALA 63 -6.069 3.958 -1.938 472 H ILE 64 H ILE 64 -8.056 6.206 -0.751 473 HA ILE 64 HA ILE 64 -7.669 4.829 1.663 474 HB ILE 64 HB ILE 64 -8.772 7.562 1.032 475 HG12 ILE 64 2HG1 ILE 64 -6.074 6.728 2.113 476 HG13 ILE 64 1HG1 ILE 64 -6.403 7.100 0.428 477 HG21 ILE 64 1HG2 ILE 64 -8.630 8.181 3.314 478 HG22 ILE 64 2HG2 ILE 64 -7.791 6.693 3.749 479 HG23 ILE 64 3HG2 ILE 64 -9.496 6.647 3.303 480 HD11 ILE 64 3HD1 ILE 64 -5.547 8.857 2.363 481 HD12 ILE 64 1HD1 ILE 64 -7.264 9.220 2.201 482 HD13 ILE 64 2HD1 ILE 64 -6.212 9.282 0.786 483 H ASP 65 H ASP 65 -10.575 6.342 0.284 484 HA ASP 65 HA ASP 65 -12.301 5.339 2.323 485 HB2 ASP 65 2HB ASP 65 -12.776 6.719 -0.314 486 HB3 ASP 65 1HB ASP 65 -14.103 6.170 0.708 487 H ASN 66 H ASN 66 -10.931 3.887 -0.402 488 HA ASN 66 HA ASN 66 -13.196 2.042 -0.722 489 HB2 ASN 66 2HB ASN 66 -11.673 3.215 -2.631 490 HB3 ASN 66 1HB ASN 66 -10.827 1.684 -2.449 491 HD21 ASN 66 1HD2 ASN 66 -11.838 2.031 -4.815 492 HD22 ASN 66 2HD2 ASN 66 -13.297 1.140 -5.056 493 H MET 67 H MET 67 -9.727 2.023 0.043 494 HA MET 67 HA MET 67 -9.820 -0.842 0.495 495 HB2 MET 67 2HB MET 67 -7.788 1.019 -0.175 496 HB3 MET 67 1HB MET 67 -7.345 0.288 1.362 497 HG2 MET 67 2HG MET 67 -6.384 -0.982 -0.424 498 HG3 MET 67 1HG MET 67 -7.640 -1.937 0.357 499 HE1 MET 67 3HE MET 67 -9.811 -3.044 -2.357 500 HE2 MET 67 1HE MET 67 -9.552 -2.885 -0.619 501 HE3 MET 67 2HE MET 67 -8.338 -3.678 -1.623 502 H ASN 68 H ASN 68 -9.859 2.091 2.396 503 HA ASN 68 HA ASN 68 -9.037 1.073 4.865 504 HB2 ASN 68 2HB ASN 68 -9.411 3.478 4.439 505 HB3 ASN 68 1HB ASN 68 -11.146 3.188 4.362 506 HD21 ASN 68 1HD2 ASN 68 -12.180 3.695 6.146 507 HD22 ASN 68 2HD2 ASN 68 -11.543 3.628 7.750 508 H GLU 69 H GLU 69 -9.795 -0.692 5.803 509 HA GLU 69 HA GLU 69 -11.213 -2.162 6.800 510 HB2 GLU 69 2HB GLU 69 -13.385 -0.132 6.249 511 HB3 GLU 69 1HB GLU 69 -13.483 -1.488 7.361 512 HG2 GLU 69 2HG GLU 69 -11.324 0.516 7.746 513 HG3 GLU 69 1HG GLU 69 -12.972 0.938 8.208 514 H SER 70 H SER 70 -10.564 -2.559 4.159 515 HA SER 70 HA SER 70 -13.068 -3.587 2.993 516 HB2 SER 70 2HB SER 70 -11.117 -1.941 1.831 517 HB3 SER 70 1HB SER 70 -10.848 -3.534 1.127 518 HG SER 70 HG SER 70 -13.081 -3.558 0.575 519 H GLU 71 H GLU 71 -11.826 -5.300 1.095 520 HA GLU 71 HA GLU 71 -10.436 -7.256 2.796 521 HB2 GLU 71 2HB GLU 71 -12.997 -7.629 2.350 522 HB3 GLU 71 1HB GLU 71 -12.439 -8.187 0.779 523 HG2 GLU 71 2HG GLU 71 -11.448 -10.051 1.631 524 HG3 GLU 71 1HG GLU 71 -11.122 -9.297 3.192 525 H LEU 72 H LEU 72 -8.611 -7.953 1.926 526 HA LEU 72 HA LEU 72 -8.379 -8.153 -0.988 527 HB2 LEU 72 2HB LEU 72 -7.329 -5.998 0.221 528 HB3 LEU 72 1HB LEU 72 -6.000 -7.117 0.453 529 HG LEU 72 HG LEU 72 -5.894 -7.486 -1.980 530 HD11 LEU 72 1HD1 LEU 72 -8.321 -5.790 -1.902 531 HD12 LEU 72 2HD1 LEU 72 -7.908 -7.136 -2.964 532 HD13 LEU 72 3HD1 LEU 72 -7.203 -5.544 -3.244 533 HD21 LEU 72 3HD2 LEU 72 -5.116 -5.177 -2.580 534 HD22 LEU 72 1HD2 LEU 72 -4.428 -5.837 -1.095 535 HD23 LEU 72 2HD2 LEU 72 -5.719 -4.639 -1.010 536 H PHE 73 H PHE 73 -7.605 -10.080 -1.552 537 HA PHE 73 HA PHE 73 -6.736 -12.181 -1.387 538 HB2 PHE 73 2HB PHE 73 -4.691 -10.552 0.120 539 HB3 PHE 73 1HB PHE 73 -4.486 -12.279 -0.154 540 HD1 PHE 73 1HD PHE 73 -5.110 -12.880 -2.778 541 HD2 PHE 73 2HD PHE 73 -3.478 -9.241 -1.293 542 HE1 PHE 73 1HE PHE 73 -4.147 -12.413 -4.992 543 HE2 PHE 73 2HE PHE 73 -2.513 -8.768 -3.504 544 HZ PHE 73 HZ PHE 73 -2.846 -10.353 -5.359 545 H GLY 74 H GLY 74 -8.760 -11.466 0.505 546 HA2 GLY 74 2HA GLY 74 -9.830 -12.579 2.224 547 HA3 GLY 74 1HA GLY 74 -8.441 -13.650 2.342 548 H ARG 75 H ARG 75 -7.569 -10.375 2.480 549 HA ARG 75 HA ARG 75 -7.543 -10.441 5.417 550 HB2 ARG 75 2HB ARG 75 -5.389 -9.208 3.713 551 HB3 ARG 75 1HB ARG 75 -5.353 -9.516 5.443 552 HG2 ARG 75 2HG ARG 75 -5.806 -11.968 4.028 553 HG3 ARG 75 1HG ARG 75 -4.383 -11.145 3.382 554 HD2 ARG 75 2HD ARG 75 -3.330 -11.104 5.482 555 HD3 ARG 75 1HD ARG 75 -4.820 -11.512 6.323 556 HE ARG 75 HE ARG 75 -3.254 -13.378 4.666 557 HH11 ARG 75 1HH1 ARG 75 -5.516 -12.772 7.268 558 HH12 ARG 75 2HH1 ARG 75 -5.571 -14.429 7.761 559 HH21 ARG 75 1HH2 ARG 75 -3.336 -15.551 5.328 560 HH22 ARG 75 2HH2 ARG 75 -4.339 -16.002 6.667 561 H THR 76 H THR 76 -7.914 -8.550 6.484 562 HA THR 76 HA THR 76 -9.232 -6.457 4.996 563 HB THR 76 HB THR 76 -8.702 -6.730 7.963 564 HG1 THR 76 1HG THR 76 -10.861 -7.407 8.041 565 HG21 THR 76 3HG2 THR 76 -10.746 -5.190 8.060 566 HG22 THR 76 1HG2 THR 76 -10.324 -4.769 6.399 567 HG23 THR 76 2HG2 THR 76 -9.171 -4.482 7.703 568 H ILE 77 H ILE 77 -8.358 -4.543 4.499 569 HA ILE 77 HA ILE 77 -5.704 -3.925 5.592 570 HB ILE 77 HB ILE 77 -5.149 -2.803 3.488 571 HG12 ILE 77 2HG1 ILE 77 -7.553 -2.375 2.829 572 HG13 ILE 77 1HG1 ILE 77 -6.495 -2.933 1.540 573 HG21 ILE 77 1HG2 ILE 77 -5.853 -5.713 3.442 574 HG22 ILE 77 2HG2 ILE 77 -4.274 -4.953 3.644 575 HG23 ILE 77 3HG2 ILE 77 -5.066 -4.933 2.069 576 HD11 ILE 77 3HD1 ILE 77 -8.137 -4.364 1.084 577 HD12 ILE 77 1HD1 ILE 77 -8.888 -4.154 2.664 578 HD13 ILE 77 2HD1 ILE 77 -7.542 -5.277 2.471 579 H ARG 78 H ARG 78 -5.132 -1.695 5.699 580 HA ARG 78 HA ARG 78 -7.408 0.166 5.830 581 HB2 ARG 78 2HB ARG 78 -6.934 -0.595 8.103 582 HB3 ARG 78 1HB ARG 78 -5.237 -0.179 7.909 583 HG2 ARG 78 2HG ARG 78 -5.695 2.128 7.907 584 HG3 ARG 78 1HG ARG 78 -7.426 1.862 7.686 585 HD2 ARG 78 2HD ARG 78 -7.683 1.055 9.886 586 HD3 ARG 78 1HD ARG 78 -5.943 0.874 10.103 587 HE ARG 78 HE ARG 78 -6.756 3.582 9.611 588 HH11 ARG 78 1HH1 ARG 78 -6.330 1.128 12.053 589 HH12 ARG 78 2HH1 ARG 78 -6.143 2.265 13.344 590 HH21 ARG 78 1HH2 ARG 78 -6.506 5.084 11.307 591 HH22 ARG 78 2HH2 ARG 78 -6.243 4.513 12.920 592 H VAL 79 H VAL 79 -7.005 2.180 5.026 593 HA VAL 79 HA VAL 79 -4.237 2.732 4.193 594 HB VAL 79 HB VAL 79 -6.799 3.528 2.822 595 HG11 VAL 79 1HG1 VAL 79 -5.470 4.550 1.113 596 HG12 VAL 79 2HG1 VAL 79 -3.979 4.030 1.894 597 HG13 VAL 79 3HG1 VAL 79 -4.996 5.248 2.659 598 HG21 VAL 79 3HG2 VAL 79 -6.217 1.994 1.121 599 HG22 VAL 79 1HG2 VAL 79 -6.013 1.136 2.648 600 HG23 VAL 79 2HG2 VAL 79 -4.603 1.756 1.790 601 H ASN 80 H ASN 80 -3.491 4.891 4.232 602 HA ASN 80 HA ASN 80 -5.106 6.958 5.405 603 HB2 ASN 80 2HB ASN 80 -3.798 5.334 7.196 604 HB3 ASN 80 1HB ASN 80 -2.656 6.658 6.987 605 HD21 ASN 80 1HD2 ASN 80 -5.812 5.736 8.088 606 HD22 ASN 80 2HD2 ASN 80 -6.162 7.191 8.952 607 H LEU 81 H LEU 81 -3.870 9.027 5.638 608 HA LEU 81 HA LEU 81 -2.196 9.367 3.300 609 HB2 LEU 81 2HB LEU 81 -3.601 11.176 5.205 610 HB3 LEU 81 1HB LEU 81 -2.249 11.826 4.300 611 HG LEU 81 HG LEU 81 -4.239 10.381 2.677 612 HD11 LEU 81 1HD1 LEU 81 -5.415 11.833 4.567 613 HD12 LEU 81 2HD1 LEU 81 -6.030 11.752 2.917 614 HD13 LEU 81 3HD1 LEU 81 -5.054 13.128 3.426 615 HD21 LEU 81 3HD2 LEU 81 -2.142 12.002 2.152 616 HD22 LEU 81 1HD2 LEU 81 -3.470 13.161 2.095 617 HD23 LEU 81 2HD2 LEU 81 -3.492 11.742 1.047 618 H ALA 82 H ALA 82 -1.001 7.825 5.408 619 HA ALA 82 HA ALA 82 0.965 7.605 6.525 620 HB1 ALA 82 1HB ALA 82 2.790 9.273 5.754 621 HB2 ALA 82 2HB ALA 82 1.588 9.775 4.566 622 HB3 ALA 82 3HB ALA 82 2.147 8.104 4.602 623 H LYS 83 H LYS 83 2.540 8.729 8.008 624 HA LYS 83 HA LYS 83 1.446 11.147 9.243 625 HB2 LYS 83 2HB LYS 83 1.781 10.071 11.505 626 HB3 LYS 83 1HB LYS 83 0.426 9.457 10.567 627 HG2 LYS 83 2HG LYS 83 1.216 7.411 10.867 628 HG3 LYS 83 1HG LYS 83 2.607 7.846 9.873 629 HD2 LYS 83 2HD LYS 83 3.466 7.008 11.921 630 HD3 LYS 83 1HD LYS 83 3.672 8.760 11.968 631 HE2 LYS 83 2HE LYS 83 2.828 8.279 14.075 632 HE3 LYS 83 1HE LYS 83 1.392 8.770 13.176 633 HZ1 LYS 83 3HZ LYS 83 0.588 6.647 13.123 634 HZ2 LYS 83 1HZ LYS 83 1.389 6.612 14.613 635 HZ3 LYS 83 2HZ LYS 83 2.113 5.927 13.246 Start of MODEL 3 1 H1 GLY -2 1HT GLY -2 -8.814 22.749 3.543 2 H2 GLY -2 2HT GLY -2 -8.653 24.200 2.688 3 H3 GLY -2 3HT GLY -2 -7.669 23.896 4.029 4 HA2 GLY -2 1HA GLY -2 -7.426 22.963 1.290 5 HA3 GLY -2 2HA GLY -2 -6.172 23.314 2.470 6 H SER -1 H SER -1 -7.557 20.899 0.733 7 HA SER -1 HA SER -1 -6.498 18.870 2.564 8 HB2 SER -1 2HB SER -1 -8.836 18.731 3.012 9 HB3 SER -1 1HB SER -1 -9.241 18.850 1.300 10 HG SER -1 HG SER -1 -7.868 16.699 2.546 11 H THR 3 H THR 3 -4.920 17.890 1.480 12 HA THR 3 HA THR 3 -5.409 17.160 -1.327 13 HB THR 3 HB THR 3 -3.894 19.021 -1.384 14 HG1 THR 3 1HG THR 3 -1.867 17.500 -1.904 15 HG21 THR 3 3HG2 THR 3 -2.068 17.496 0.458 16 HG22 THR 3 1HG2 THR 3 -3.037 18.893 0.919 17 HG23 THR 3 2HG2 THR 3 -1.758 19.063 -0.283 18 H THR 4 H THR 4 -4.578 16.118 1.775 19 HA THR 4 HA THR 4 -3.682 14.207 2.639 20 HB THR 4 HB THR 4 -5.870 13.516 1.626 21 HG1 THR 4 1HG THR 4 -5.428 11.701 2.527 22 HG21 THR 4 3HG2 THR 4 -4.115 12.794 -0.670 23 HG22 THR 4 1HG2 THR 4 -5.726 13.509 -0.660 24 HG23 THR 4 2HG2 THR 4 -5.518 11.799 -0.287 25 H LYS 5 H LYS 5 -1.872 15.619 0.930 26 HA LYS 5 HA LYS 5 0.090 15.400 -0.199 27 HB2 LYS 5 2HB LYS 5 0.023 13.071 1.672 28 HB3 LYS 5 1HB LYS 5 1.354 13.213 0.533 29 HG2 LYS 5 2HG LYS 5 2.372 14.651 1.868 30 HG3 LYS 5 1HG LYS 5 0.990 15.741 1.778 31 HD2 LYS 5 2HD LYS 5 0.267 15.174 3.826 32 HD3 LYS 5 1HD LYS 5 0.559 13.457 3.554 33 HE2 LYS 5 2HE LYS 5 3.009 15.027 3.813 34 HE3 LYS 5 1HE LYS 5 1.984 15.080 5.247 35 HZ1 LYS 5 3HZ LYS 5 3.173 13.208 5.675 36 HZ2 LYS 5 1HZ LYS 5 3.380 12.807 4.044 37 HZ3 LYS 5 2HZ LYS 5 1.902 12.506 4.808 38 H ARG 6 H ARG 6 -0.170 11.906 -0.166 39 HA ARG 6 HA ARG 6 -1.463 11.389 -2.545 40 HB2 ARG 6 2HB ARG 6 1.055 12.676 -2.985 41 HB3 ARG 6 1HB ARG 6 1.174 11.020 -3.560 42 HG2 ARG 6 2HG ARG 6 -0.349 11.339 -5.226 43 HG3 ARG 6 1HG ARG 6 -1.216 12.596 -4.342 44 HD2 ARG 6 2HD ARG 6 -0.097 14.166 -5.439 45 HD3 ARG 6 1HD ARG 6 1.427 13.516 -4.840 46 HE ARG 6 HE ARG 6 0.223 12.262 -7.189 47 HH11 ARG 6 1HH1 ARG 6 2.712 14.325 -5.852 48 HH12 ARG 6 2HH1 ARG 6 3.710 14.233 -7.260 49 HH21 ARG 6 1HH2 ARG 6 1.541 12.166 -9.044 50 HH22 ARG 6 2HH2 ARG 6 3.048 13.014 -9.068 51 H VAL 7 H VAL 7 1.294 10.639 -0.514 52 HA VAL 7 HA VAL 7 1.273 7.841 -1.189 53 HB VAL 7 HB VAL 7 2.940 7.724 0.738 54 HG11 VAL 7 1HG1 VAL 7 3.952 7.617 -1.313 55 HG12 VAL 7 2HG1 VAL 7 4.648 9.114 -0.694 56 HG13 VAL 7 3HG1 VAL 7 3.303 9.173 -1.833 57 HG21 VAL 7 3HG2 VAL 7 2.009 10.061 1.536 58 HG22 VAL 7 1HG2 VAL 7 3.265 10.662 0.454 59 HG23 VAL 7 2HG2 VAL 7 3.692 9.602 1.797 60 H LEU 8 H LEU 8 0.273 6.241 -0.129 61 HA LEU 8 HA LEU 8 -1.031 6.889 2.429 62 HB2 LEU 8 2HB LEU 8 -2.168 4.861 0.550 63 HB3 LEU 8 1HB LEU 8 -2.967 5.770 1.818 64 HG LEU 8 HG LEU 8 -1.944 7.100 -0.677 65 HD11 LEU 8 1HD1 LEU 8 -3.529 5.276 -1.257 66 HD12 LEU 8 2HD1 LEU 8 -4.124 6.890 -1.653 67 HD13 LEU 8 3HD1 LEU 8 -4.730 6.051 -0.226 68 HD21 LEU 8 3HD2 LEU 8 -2.391 8.751 0.864 69 HD22 LEU 8 1HD2 LEU 8 -3.701 7.842 1.617 70 HD23 LEU 8 2HD2 LEU 8 -3.947 8.604 0.048 71 H TYR 9 H TYR 9 -1.470 5.014 3.822 72 HA TYR 9 HA TYR 9 0.679 3.005 3.552 73 HB2 TYR 9 2HB TYR 9 0.680 4.596 5.541 74 HB3 TYR 9 1HB TYR 9 -0.759 3.751 6.096 75 HD1 TYR 9 1HD TYR 9 -0.413 1.042 6.037 76 HD2 TYR 9 2HD TYR 9 2.653 3.953 6.514 77 HE1 TYR 9 1HE TYR 9 1.000 -0.646 7.115 78 HE2 TYR 9 2HE TYR 9 4.079 2.277 7.607 79 HH TYR 9 HH TYR 9 2.997 -1.078 8.030 80 H VAL 10 H VAL 10 0.201 0.855 3.580 81 HA VAL 10 HA VAL 10 -2.650 0.144 3.840 82 HB VAL 10 HB VAL 10 -0.507 -1.486 2.460 83 HG11 VAL 10 1HG1 VAL 10 -2.399 -2.695 1.498 84 HG12 VAL 10 2HG1 VAL 10 -3.519 -1.668 2.393 85 HG13 VAL 10 3HG1 VAL 10 -2.436 -2.755 3.260 86 HG21 VAL 10 3HG2 VAL 10 -2.461 -0.355 0.668 87 HG22 VAL 10 1HG2 VAL 10 -0.701 -0.257 0.614 88 HG23 VAL 10 2HG2 VAL 10 -1.622 0.921 1.549 89 H GLY 11 H GLY 11 -3.199 -0.973 5.600 90 HA2 GLY 11 2HA GLY 11 -1.114 -2.556 6.966 91 HA3 GLY 11 1HA GLY 11 -2.273 -1.573 7.843 92 H GLY 12 H GLY 12 -1.569 -4.651 6.798 93 HA2 GLY 12 2HA GLY 12 -3.057 -6.375 7.791 94 HA3 GLY 12 1HA GLY 12 -4.390 -5.490 7.058 95 H LEU 13 H LEU 13 -1.209 -6.349 5.816 96 HA LEU 13 HA LEU 13 -2.475 -7.477 3.442 97 HB2 LEU 13 2HB LEU 13 0.281 -6.491 4.056 98 HB3 LEU 13 1HB LEU 13 -0.066 -7.366 2.596 99 HG LEU 13 HG LEU 13 -1.273 -4.717 3.388 100 HD11 LEU 13 1HD1 LEU 13 0.255 -4.696 0.963 101 HD12 LEU 13 2HD1 LEU 13 1.241 -5.308 2.291 102 HD13 LEU 13 3HD1 LEU 13 0.459 -3.735 2.426 103 HD21 LEU 13 3HD2 LEU 13 -2.446 -6.564 1.781 104 HD22 LEU 13 1HD2 LEU 13 -1.475 -5.674 0.615 105 HD23 LEU 13 2HD2 LEU 13 -2.653 -4.825 1.608 106 H ALA 14 H ALA 14 -0.786 -9.134 2.405 107 HA ALA 14 HA ALA 14 0.035 -11.114 4.400 108 HB1 ALA 14 1HB ALA 14 -1.240 -12.798 3.597 109 HB2 ALA 14 2HB ALA 14 -1.151 -12.215 1.936 110 HB3 ALA 14 3HB ALA 14 -2.275 -11.475 3.069 111 H GLU 15 H GLU 15 1.017 -13.047 2.791 112 HA GLU 15 HA GLU 15 3.358 -11.779 1.699 113 HB2 GLU 15 2HB GLU 15 2.886 -14.180 2.926 114 HB3 GLU 15 1HB GLU 15 3.023 -14.663 1.241 115 HG2 GLU 15 2HG GLU 15 5.220 -13.961 1.082 116 HG3 GLU 15 1HG GLU 15 5.078 -12.881 2.466 117 H GLU 16 H GLU 16 0.372 -12.253 0.403 118 HA GLU 16 HA GLU 16 1.293 -13.087 -2.231 119 HB2 GLU 16 2HB GLU 16 -1.532 -12.370 -1.978 120 HB3 GLU 16 1HB GLU 16 -0.790 -13.837 -2.602 121 HG2 GLU 16 2HG GLU 16 -0.342 -14.416 -0.152 122 HG3 GLU 16 1HG GLU 16 -1.511 -13.148 0.218 123 H VAL 17 H VAL 17 0.142 -10.204 -0.599 124 HA VAL 17 HA VAL 17 -0.287 -8.757 -3.038 125 HB VAL 17 HB VAL 17 -1.638 -8.261 -1.054 126 HG11 VAL 17 1HG1 VAL 17 -0.806 -7.844 0.961 127 HG12 VAL 17 2HG1 VAL 17 0.375 -6.694 0.341 128 HG13 VAL 17 3HG1 VAL 17 0.733 -8.420 0.326 129 HG21 VAL 17 3HG2 VAL 17 -1.786 -6.414 -2.358 130 HG22 VAL 17 1HG2 VAL 17 -0.044 -6.194 -2.444 131 HG23 VAL 17 2HG2 VAL 17 -0.922 -5.675 -1.016 132 H ASP 18 H ASP 18 0.895 -7.166 -3.867 133 HA ASP 18 HA ASP 18 3.405 -6.335 -2.698 134 HB2 ASP 18 2HB ASP 18 4.674 -6.939 -4.788 135 HB3 ASP 18 1HB ASP 18 4.168 -8.317 -3.817 136 H ASP 19 H ASP 19 4.548 -4.878 -4.501 137 HA ASP 19 HA ASP 19 2.883 -2.673 -4.896 138 HB2 ASP 19 2HB ASP 19 4.723 -1.831 -6.386 139 HB3 ASP 19 1HB ASP 19 5.251 -2.338 -4.785 140 H LYS 20 H LYS 20 3.558 -5.414 -6.924 141 HA LYS 20 HA LYS 20 2.618 -4.354 -9.364 142 HB2 LYS 20 2HB LYS 20 3.478 -6.287 -10.082 143 HB3 LYS 20 1HB LYS 20 3.718 -6.781 -8.417 144 HG2 LYS 20 2HG LYS 20 2.538 -8.524 -9.448 145 HG3 LYS 20 1HG LYS 20 1.352 -7.670 -8.468 146 HD2 LYS 20 2HD LYS 20 0.312 -6.733 -10.327 147 HD3 LYS 20 1HD LYS 20 1.730 -6.960 -11.352 148 HE2 LYS 20 2HE LYS 20 0.254 -9.305 -10.213 149 HE3 LYS 20 1HE LYS 20 -0.308 -8.510 -11.683 150 HZ1 LYS 20 3HZ LYS 20 2.242 -8.845 -12.292 151 HZ2 LYS 20 1HZ LYS 20 1.067 -10.017 -12.618 152 HZ3 LYS 20 2HZ LYS 20 2.049 -10.163 -11.249 153 H VAL 21 H VAL 21 1.072 -6.328 -6.869 154 HA VAL 21 HA VAL 21 -1.458 -6.361 -8.179 155 HB VAL 21 HB VAL 21 -0.458 -7.910 -6.250 156 HG11 VAL 21 1HG1 VAL 21 -0.522 -6.062 -4.592 157 HG12 VAL 21 2HG1 VAL 21 -1.429 -7.493 -4.106 158 HG13 VAL 21 3HG1 VAL 21 -2.281 -6.075 -4.712 159 HG21 VAL 21 3HG2 VAL 21 -3.357 -7.682 -5.946 160 HG22 VAL 21 1HG2 VAL 21 -2.373 -9.031 -6.514 161 HG23 VAL 21 2HG2 VAL 21 -2.816 -7.738 -7.624 162 H LEU 22 H LEU 22 -0.024 -4.461 -5.588 163 HA LEU 22 HA LEU 22 -2.305 -2.976 -4.890 164 HB2 LEU 22 2HB LEU 22 0.642 -2.347 -4.761 165 HB3 LEU 22 1HB LEU 22 -0.577 -1.234 -4.167 166 HG LEU 22 HG LEU 22 -0.824 -3.969 -3.126 167 HD11 LEU 22 1HD1 LEU 22 1.749 -3.210 -3.308 168 HD12 LEU 22 2HD1 LEU 22 1.116 -4.182 -1.983 169 HD13 LEU 22 3HD1 LEU 22 1.317 -2.442 -1.783 170 HD21 LEU 22 3HD2 LEU 22 -1.542 -1.315 -2.404 171 HD22 LEU 22 1HD2 LEU 22 -0.570 -2.012 -1.104 172 HD23 LEU 22 2HD2 LEU 22 -2.023 -2.842 -1.662 173 H HIS 23 H HIS 23 0.043 -2.711 -7.454 174 HA HIS 23 HA HIS 23 -0.561 -0.139 -8.396 175 HB2 HIS 23 2HB HIS 23 1.098 -2.234 -9.160 176 HB3 HIS 23 1HB HIS 23 -0.029 -2.103 -10.501 177 HD1 HIS 23 1HD HIS 23 1.679 -1.158 -12.136 178 HD2 HIS 23 2HD HIS 23 1.271 1.115 -8.682 179 HE1 HIS 23 1HE HIS 23 2.914 0.985 -12.594 180 HE2 HIS 23 2HE HIS 23 2.625 2.359 -10.501 181 H ALA 24 H ALA 24 -1.760 -3.289 -9.476 182 HA ALA 24 HA ALA 24 -3.759 -2.268 -11.191 183 HB1 ALA 24 1HB ALA 24 -4.626 -4.673 -11.037 184 HB2 ALA 24 2HB ALA 24 -3.199 -4.976 -10.044 185 HB3 ALA 24 3HB ALA 24 -3.016 -4.411 -11.705 186 H ALA 25 H ALA 25 -3.891 -3.554 -7.885 187 HA ALA 25 HA ALA 25 -6.686 -3.445 -7.618 188 HB1 ALA 25 1HB ALA 25 -4.551 -4.279 -6.035 189 HB2 ALA 25 2HB ALA 25 -6.270 -4.439 -5.685 190 HB3 ALA 25 3HB ALA 25 -5.378 -3.037 -5.095 191 H PHE 26 H PHE 26 -4.179 -1.084 -6.863 192 HA PHE 26 HA PHE 26 -6.207 0.737 -5.879 193 HB2 PHE 26 2HB PHE 26 -3.205 0.921 -5.931 194 HB3 PHE 26 1HB PHE 26 -4.253 2.186 -5.305 195 HD1 PHE 26 2HD PHE 26 -3.904 -1.542 -4.926 196 HD2 PHE 26 1HD PHE 26 -4.501 2.243 -3.050 197 HE1 PHE 26 2HE PHE 26 -3.970 -2.638 -2.727 198 HE2 PHE 26 1HE PHE 26 -4.556 1.148 -0.852 199 HZ PHE 26 HZ PHE 26 -4.295 -1.296 -0.688 200 H ILE 27 H ILE 27 -4.784 0.111 -8.884 201 HA ILE 27 HA ILE 27 -4.497 2.726 -9.887 202 HB ILE 27 HB ILE 27 -3.759 0.494 -10.974 203 HG12 ILE 27 2HG1 ILE 27 -4.174 1.731 -13.310 204 HG13 ILE 27 1HG1 ILE 27 -4.599 3.046 -12.219 205 HG21 ILE 27 1HG2 ILE 27 -5.692 -0.701 -11.383 206 HG22 ILE 27 2HG2 ILE 27 -5.298 -0.014 -12.954 207 HG23 ILE 27 3HG2 ILE 27 -6.565 0.711 -11.972 208 HD11 ILE 27 3HD1 ILE 27 -1.982 1.664 -12.578 209 HD12 ILE 27 1HD1 ILE 27 -2.360 2.501 -11.073 210 HD13 ILE 27 2HD1 ILE 27 -2.355 3.388 -12.597 211 HA PRO 28 HA PRO 28 -9.171 2.203 -11.359 212 HB2 PRO 28 2HB PRO 28 -10.698 1.142 -9.314 213 HB3 PRO 28 1HB PRO 28 -10.176 0.246 -10.744 214 HG2 PRO 28 2HG PRO 28 -8.970 0.314 -8.006 215 HG3 PRO 28 1HG PRO 28 -9.231 -1.072 -9.081 216 HD2 PRO 28 2HD PRO 28 -6.822 0.021 -8.837 217 HD3 PRO 28 1HD PRO 28 -7.404 -0.539 -10.414 218 H PHE 29 H PHE 29 -8.403 2.416 -7.895 219 HA PHE 29 HA PHE 29 -10.161 4.616 -7.413 220 HB2 PHE 29 2HB PHE 29 -7.799 4.098 -5.651 221 HB3 PHE 29 1HB PHE 29 -9.440 4.553 -5.211 222 HD1 PHE 29 2HD PHE 29 -11.169 2.605 -6.225 223 HD2 PHE 29 1HD PHE 29 -7.201 2.069 -4.786 224 HE1 PHE 29 2HE PHE 29 -11.679 0.255 -5.704 225 HE2 PHE 29 1HE PHE 29 -7.699 -0.276 -4.263 226 HZ PHE 29 HZ PHE 29 -9.942 -1.191 -4.721 227 H GLY 30 H GLY 30 -6.985 4.265 -8.684 228 HA2 GLY 30 2HA GLY 30 -6.707 6.801 -9.665 229 HA3 GLY 30 1HA GLY 30 -6.051 6.888 -8.039 230 H ASP 31 H ASP 31 -5.013 6.776 -11.008 231 HA ASP 31 HA ASP 31 -3.386 4.527 -11.235 232 HB2 ASP 31 2HB ASP 31 -2.585 7.195 -12.355 233 HB3 ASP 31 1HB ASP 31 -2.312 5.589 -13.020 234 H ILE 32 H ILE 32 -1.994 3.870 -9.842 235 HA ILE 32 HA ILE 32 -0.651 5.455 -7.937 236 HB ILE 32 HB ILE 32 -0.017 2.694 -8.979 237 HG12 ILE 32 2HG1 ILE 32 -1.110 2.430 -6.472 238 HG13 ILE 32 1HG1 ILE 32 -2.023 3.781 -7.147 239 HG21 ILE 32 1HG2 ILE 32 1.333 2.313 -7.078 240 HG22 ILE 32 2HG2 ILE 32 0.837 3.823 -6.325 241 HG23 ILE 32 3HG2 ILE 32 1.873 3.847 -7.750 242 HD11 ILE 32 3HD1 ILE 32 -3.275 2.340 -8.222 243 HD12 ILE 32 1HD1 ILE 32 -2.283 0.993 -7.670 244 HD13 ILE 32 2HD1 ILE 32 -1.877 1.839 -9.163 245 H THR 33 H THR 33 1.558 5.934 -7.753 246 HA THR 33 HA THR 33 2.998 6.148 -10.307 247 HB THR 33 HB THR 33 3.860 7.956 -8.216 248 HG1 THR 33 1HG THR 33 1.207 8.140 -9.184 249 HG21 THR 33 3HG2 THR 33 4.314 8.010 -10.757 250 HG22 THR 33 1HG2 THR 33 4.040 9.523 -9.894 251 HG23 THR 33 2HG2 THR 33 2.741 8.802 -10.845 252 H ASP 34 H ASP 34 3.199 5.451 -6.881 253 HA ASP 34 HA ASP 34 5.565 3.910 -7.395 254 HB2 ASP 34 2HB ASP 34 5.871 6.531 -6.501 255 HB3 ASP 34 1HB ASP 34 6.094 5.545 -5.061 256 H ILE 35 H ILE 35 6.043 2.376 -5.774 257 HA ILE 35 HA ILE 35 4.286 2.264 -3.448 258 HB ILE 35 HB ILE 35 4.583 -0.135 -5.251 259 HG12 ILE 35 2HG1 ILE 35 2.214 1.731 -4.963 260 HG13 ILE 35 1HG1 ILE 35 3.262 1.618 -6.375 261 HG21 ILE 35 1HG2 ILE 35 3.607 -1.307 -3.630 262 HG22 ILE 35 2HG2 ILE 35 2.338 -0.102 -3.424 263 HG23 ILE 35 3HG2 ILE 35 3.872 0.078 -2.574 264 HD11 ILE 35 3HD1 ILE 35 0.988 0.405 -6.383 265 HD12 ILE 35 1HD1 ILE 35 1.807 -0.791 -5.381 266 HD13 ILE 35 2HD1 ILE 35 2.411 -0.436 -6.998 267 H GLN 36 H GLN 36 5.528 1.913 -1.728 268 HA GLN 36 HA GLN 36 7.971 0.299 -2.079 269 HB2 GLN 36 2HB GLN 36 7.508 2.824 -0.523 270 HB3 GLN 36 1HB GLN 36 8.797 1.715 -0.071 271 HG2 GLN 36 2HG GLN 36 10.059 2.221 -1.875 272 HG3 GLN 36 1HG GLN 36 8.663 2.498 -2.913 273 HE21 GLN 36 1HE2 GLN 36 9.569 4.403 -3.708 274 HE22 GLN 36 2HE2 GLN 36 9.617 5.853 -2.769 275 H ILE 37 H ILE 37 8.125 -1.459 -0.868 276 HA ILE 37 HA ILE 37 6.313 -1.736 1.443 277 HB ILE 37 HB ILE 37 7.602 -3.994 -0.087 278 HG12 ILE 37 2HG1 ILE 37 4.736 -3.715 -0.487 279 HG13 ILE 37 1HG1 ILE 37 5.602 -2.298 -1.069 280 HG21 ILE 37 1HG2 ILE 37 5.111 -4.181 1.548 281 HG22 ILE 37 2HG2 ILE 37 6.689 -4.194 2.336 282 HG23 ILE 37 3HG2 ILE 37 6.286 -5.432 1.146 283 HD11 ILE 37 3HD1 ILE 37 7.057 -3.827 -2.387 284 HD12 ILE 37 1HD1 ILE 37 5.362 -3.830 -2.870 285 HD13 ILE 37 2HD1 ILE 37 6.005 -5.156 -1.903 286 HA PRO 38 HA PRO 38 10.211 -1.274 3.729 287 HB2 PRO 38 2HB PRO 38 8.295 -2.251 5.816 288 HB3 PRO 38 1HB PRO 38 9.520 -0.977 5.922 289 HG2 PRO 38 2HG PRO 38 7.019 -0.278 5.599 290 HG3 PRO 38 1HG PRO 38 8.273 0.497 4.609 291 HD2 PRO 38 2HD PRO 38 6.330 -1.658 3.845 292 HD3 PRO 38 1HD PRO 38 6.858 -0.238 2.915 293 H LEU 39 H LEU 39 11.729 -2.701 3.737 294 HA LEU 39 HA LEU 39 11.160 -5.474 4.544 295 HB2 LEU 39 2HB LEU 39 12.765 -4.559 2.162 296 HB3 LEU 39 1HB LEU 39 12.862 -6.182 2.813 297 HG LEU 39 HG LEU 39 10.119 -5.337 2.224 298 HD11 LEU 39 1HD1 LEU 39 12.137 -4.737 0.279 299 HD12 LEU 39 2HD1 LEU 39 10.394 -4.500 0.190 300 HD13 LEU 39 3HD1 LEU 39 11.100 -6.033 -0.316 301 HD21 LEU 39 3HD2 LEU 39 11.422 -7.674 0.949 302 HD22 LEU 39 1HD2 LEU 39 9.840 -7.533 1.715 303 HD23 LEU 39 2HD2 LEU 39 11.292 -7.680 2.708 304 H ASP 40 H ASP 40 13.379 -6.662 4.838 305 HA ASP 40 HA ASP 40 14.915 -5.023 6.688 306 HB2 ASP 40 2HB ASP 40 14.578 -7.948 6.209 307 HB3 ASP 40 1HB ASP 40 16.079 -7.403 6.954 308 H TYR 41 H TYR 41 17.335 -5.294 6.692 309 HA TYR 41 HA TYR 41 18.297 -4.992 3.946 310 HB2 TYR 41 2HB TYR 41 20.295 -3.962 4.979 311 HB3 TYR 41 1HB TYR 41 18.804 -3.147 5.437 312 HD1 TYR 41 1HD TYR 41 17.859 -3.514 7.721 313 HD2 TYR 41 2HD TYR 41 21.703 -4.958 6.609 314 HE1 TYR 41 1HE TYR 41 18.445 -3.765 10.094 315 HE2 TYR 41 2HE TYR 41 22.299 -5.214 8.980 316 HH TYR 41 HH TYR 41 20.680 -5.571 11.258 317 H GLU 42 H GLU 42 18.521 -7.106 6.671 318 HA GLU 42 HA GLU 42 20.790 -8.532 5.481 319 HB2 GLU 42 2HB GLU 42 20.826 -7.931 7.918 320 HB3 GLU 42 1HB GLU 42 19.469 -9.025 8.151 321 HG2 GLU 42 2HG GLU 42 20.762 -10.846 8.088 322 HG3 GLU 42 1HG GLU 42 21.740 -10.227 6.758 323 H THR 43 H THR 43 17.386 -8.824 6.184 324 HA THR 43 HA THR 43 17.410 -11.554 5.077 325 HB THR 43 HB THR 43 15.272 -11.895 6.236 326 HG1 THR 43 1HG THR 43 15.665 -9.419 7.523 327 HG21 THR 43 3HG2 THR 43 17.651 -11.073 7.816 328 HG22 THR 43 1HG2 THR 43 16.900 -12.660 7.641 329 HG23 THR 43 2HG2 THR 43 16.140 -11.430 8.650 330 H GLU 44 H GLU 44 16.009 -8.358 4.815 331 HA GLU 44 HA GLU 44 14.711 -7.370 3.228 332 HB2 GLU 44 2HB GLU 44 15.560 -9.616 1.406 333 HB3 GLU 44 1HB GLU 44 15.083 -7.985 0.953 334 HG2 GLU 44 2HG GLU 44 17.264 -7.758 2.733 335 HG3 GLU 44 1HG GLU 44 17.674 -9.000 1.552 336 H LYS 45 H LYS 45 13.411 -9.179 4.962 337 HA LYS 45 HA LYS 45 11.322 -10.294 3.203 338 HB2 LYS 45 2HB LYS 45 12.216 -11.138 5.960 339 HB3 LYS 45 1HB LYS 45 10.742 -11.724 5.204 340 HG2 LYS 45 2HG LYS 45 11.873 -12.984 3.653 341 HG3 LYS 45 1HG LYS 45 13.327 -11.989 3.747 342 HD2 LYS 45 2HD LYS 45 14.205 -13.269 5.351 343 HD3 LYS 45 1HD LYS 45 12.714 -13.238 6.292 344 HE2 LYS 45 2HE LYS 45 12.932 -15.484 5.808 345 HE3 LYS 45 1HE LYS 45 11.871 -14.934 4.511 346 HZ1 LYS 45 3HZ LYS 45 14.765 -14.893 4.054 347 HZ2 LYS 45 1HZ LYS 45 13.503 -15.153 2.957 348 HZ3 LYS 45 2HZ LYS 45 13.973 -16.388 4.014 349 H HIS 46 H HIS 46 9.575 -9.046 3.119 350 HA HIS 46 HA HIS 46 9.003 -7.035 5.062 351 HB2 HIS 46 2HB HIS 46 6.878 -6.754 3.764 352 HB3 HIS 46 1HB HIS 46 8.341 -6.627 2.797 353 HD1 HIS 46 1HD HIS 46 6.138 -9.589 3.777 354 HD2 HIS 46 2HD HIS 46 7.874 -7.827 0.438 355 HE1 HIS 46 1HE HIS 46 5.474 -11.035 1.831 356 HE2 HIS 46 2HE HIS 46 6.598 -9.993 -0.167 357 H ARG 47 H ARG 47 6.514 -6.958 5.742 358 HA ARG 47 HA ARG 47 5.977 -9.489 7.155 359 HB2 ARG 47 2HB ARG 47 6.159 -6.745 8.092 360 HB3 ARG 47 1HB ARG 47 4.596 -7.448 8.485 361 HG2 ARG 47 2HG ARG 47 6.649 -9.340 9.088 362 HG3 ARG 47 1HG ARG 47 7.049 -7.787 9.822 363 HD2 ARG 47 2HD ARG 47 4.304 -8.966 10.074 364 HD3 ARG 47 1HD ARG 47 5.607 -9.448 11.160 365 HE ARG 47 HE ARG 47 4.166 -6.970 11.179 366 HH11 ARG 47 1HH1 ARG 47 7.192 -8.502 12.001 367 HH12 ARG 47 2HH1 ARG 47 7.590 -7.343 13.224 368 HH21 ARG 47 1HH2 ARG 47 4.687 -5.446 12.784 369 HH22 ARG 47 2HH2 ARG 47 6.168 -5.607 13.671 370 H GLY 48 H GLY 48 4.257 -6.517 6.228 371 HA2 GLY 48 2HA GLY 48 2.502 -7.643 4.405 372 HA3 GLY 48 1HA GLY 48 1.746 -7.814 5.983 373 H PHE 49 H PHE 49 3.796 -5.128 4.906 374 HA PHE 49 HA PHE 49 1.434 -3.430 4.700 375 HB2 PHE 49 2HB PHE 49 3.745 -2.627 6.461 376 HB3 PHE 49 1HB PHE 49 2.161 -1.872 6.331 377 HD1 PHE 49 1HD PHE 49 0.215 -3.784 6.681 378 HD2 PHE 49 2HD PHE 49 4.074 -3.713 8.454 379 HE1 PHE 49 1HE PHE 49 -0.608 -5.217 8.491 380 HE2 PHE 49 2HE PHE 49 3.262 -5.141 10.285 381 HZ PHE 49 HZ PHE 49 0.915 -5.895 10.312 382 H ALA 50 H ALA 50 1.764 -1.479 3.573 383 HA ALA 50 HA ALA 50 4.371 -0.843 2.524 384 HB1 ALA 50 1HB ALA 50 2.433 -2.401 0.948 385 HB2 ALA 50 2HB ALA 50 4.191 -2.330 0.850 386 HB3 ALA 50 3HB ALA 50 3.217 -1.061 0.110 387 H PHE 51 H PHE 51 4.055 0.835 0.635 388 HA PHE 51 HA PHE 51 1.927 2.701 1.444 389 HB2 PHE 51 2HB PHE 51 4.747 3.386 0.589 390 HB3 PHE 51 1HB PHE 51 3.484 4.553 0.960 391 HD1 PHE 51 1HD PHE 51 5.187 1.628 2.529 392 HD2 PHE 51 2HD PHE 51 3.470 5.485 3.050 393 HE1 PHE 51 1HE PHE 51 5.872 1.609 4.891 394 HE2 PHE 51 2HE PHE 51 4.151 5.475 5.414 395 HZ PHE 51 HZ PHE 51 5.356 3.535 6.338 396 H VAL 52 H VAL 52 0.731 3.603 -0.144 397 HA VAL 52 HA VAL 52 1.462 2.931 -2.921 398 HB VAL 52 HB VAL 52 -1.324 3.617 -1.980 399 HG11 VAL 52 1HG1 VAL 52 -2.055 2.813 -4.036 400 HG12 VAL 52 2HG1 VAL 52 -0.569 1.910 -4.326 401 HG13 VAL 52 3HG1 VAL 52 -0.570 3.669 -4.448 402 HG21 VAL 52 3HG2 VAL 52 -0.684 1.698 -0.691 403 HG22 VAL 52 1HG2 VAL 52 -0.011 0.904 -2.115 404 HG23 VAL 52 2HG2 VAL 52 -1.752 1.160 -1.987 405 H GLU 53 H GLU 53 1.840 4.557 -4.316 406 HA GLU 53 HA GLU 53 1.153 7.287 -3.449 407 HB2 GLU 53 2HB GLU 53 3.502 7.172 -3.517 408 HB3 GLU 53 1HB GLU 53 3.504 6.173 -4.958 409 HG2 GLU 53 2HG GLU 53 3.715 7.942 -6.250 410 HG3 GLU 53 1HG GLU 53 2.277 8.686 -5.551 411 H PHE 54 H PHE 54 -0.064 8.515 -4.788 412 HA PHE 54 HA PHE 54 -0.893 7.268 -7.302 413 HB2 PHE 54 2HB PHE 54 -2.313 9.129 -5.411 414 HB3 PHE 54 1HB PHE 54 -2.905 8.800 -7.039 415 HD1 PHE 54 2HD PHE 54 -1.714 6.929 -4.034 416 HD2 PHE 54 1HD PHE 54 -4.441 7.136 -7.284 417 HE1 PHE 54 2HE PHE 54 -2.825 4.886 -3.224 418 HE2 PHE 54 1HE PHE 54 -5.563 5.097 -6.486 419 HZ PHE 54 HZ PHE 54 -4.750 3.968 -4.453 420 H GLU 55 H GLU 55 -1.468 8.693 -9.051 421 HA GLU 55 HA GLU 55 0.592 10.642 -9.502 422 HB2 GLU 55 2HB GLU 55 -0.750 8.959 -11.151 423 HB3 GLU 55 1HB GLU 55 -1.654 10.443 -11.422 424 HG2 GLU 55 2HG GLU 55 0.013 11.400 -12.566 425 HG3 GLU 55 1HG GLU 55 1.253 10.773 -11.483 426 H LEU 56 H LEU 56 -2.772 10.557 -8.703 427 HA LEU 56 HA LEU 56 -2.849 13.508 -8.635 428 HB2 LEU 56 2HB LEU 56 -5.082 11.542 -9.105 429 HB3 LEU 56 1HB LEU 56 -5.301 13.273 -8.941 430 HG LEU 56 HG LEU 56 -3.674 11.948 -11.111 431 HD11 LEU 56 1HD1 LEU 56 -6.288 13.286 -11.606 432 HD12 LEU 56 2HD1 LEU 56 -6.280 11.636 -10.986 433 HD13 LEU 56 3HD1 LEU 56 -5.483 12.008 -12.515 434 HD21 LEU 56 3HD2 LEU 56 -4.400 14.778 -10.464 435 HD22 LEU 56 1HD2 LEU 56 -4.124 14.291 -12.137 436 HD23 LEU 56 2HD2 LEU 56 -2.842 14.103 -10.939 437 H ALA 57 H ALA 57 -3.264 14.439 -6.717 438 HA ALA 57 HA ALA 57 -3.213 12.990 -4.331 439 HB1 ALA 57 1HB ALA 57 -3.464 15.773 -5.113 440 HB2 ALA 57 2HB ALA 57 -2.648 15.056 -3.725 441 HB3 ALA 57 3HB ALA 57 -4.374 15.403 -3.648 442 H GLU 58 H GLU 58 -5.954 14.356 -6.114 443 HA GLU 58 HA GLU 58 -7.926 13.753 -4.188 444 HB2 GLU 58 2HB GLU 58 -8.318 13.910 -7.177 445 HB3 GLU 58 1HB GLU 58 -9.536 14.158 -5.934 446 HG2 GLU 58 2HG GLU 58 -8.894 16.275 -5.531 447 HG3 GLU 58 1HG GLU 58 -7.185 15.917 -5.775 448 H ASP 59 H ASP 59 -6.434 11.889 -6.734 449 HA ASP 59 HA ASP 59 -8.278 9.758 -6.825 450 HB2 ASP 59 2HB ASP 59 -5.626 10.347 -7.869 451 HB3 ASP 59 1HB ASP 59 -5.794 8.659 -7.428 452 H ALA 60 H ALA 60 -5.446 10.392 -4.838 453 HA ALA 60 HA ALA 60 -5.194 7.882 -3.639 454 HB1 ALA 60 1HB ALA 60 -4.319 10.632 -2.986 455 HB2 ALA 60 2HB ALA 60 -3.382 9.145 -3.128 456 HB3 ALA 60 3HB ALA 60 -4.319 9.461 -1.669 457 H ALA 61 H ALA 61 -7.088 10.721 -2.663 458 HA ALA 61 HA ALA 61 -8.090 9.805 -0.247 459 HB1 ALA 61 1HB ALA 61 -10.118 11.254 -0.849 460 HB2 ALA 61 2HB ALA 61 -9.245 11.626 -2.335 461 HB3 ALA 61 3HB ALA 61 -8.542 12.041 -0.772 462 H ALA 62 H ALA 62 -9.039 9.020 -3.515 463 HA ALA 62 HA ALA 62 -11.465 7.706 -2.870 464 HB1 ALA 62 1HB ALA 62 -11.535 8.023 -5.094 465 HB2 ALA 62 2HB ALA 62 -10.677 6.485 -5.176 466 HB3 ALA 62 3HB ALA 62 -9.779 8.002 -5.255 467 H ALA 63 H ALA 63 -8.133 6.576 -3.365 468 HA ALA 63 HA ALA 63 -8.661 3.828 -2.911 469 HB1 ALA 63 1HB ALA 63 -6.029 4.462 -2.034 470 HB2 ALA 63 2HB ALA 63 -6.385 5.449 -3.452 471 HB3 ALA 63 3HB ALA 63 -6.530 3.694 -3.540 472 H ILE 64 H ILE 64 -7.988 6.576 -0.909 473 HA ILE 64 HA ILE 64 -7.560 5.285 1.562 474 HB ILE 64 HB ILE 64 -8.598 8.031 0.862 475 HG12 ILE 64 2HG1 ILE 64 -5.872 7.197 1.873 476 HG13 ILE 64 1HG1 ILE 64 -6.259 7.441 0.177 477 HG21 ILE 64 1HG2 ILE 64 -9.003 8.461 3.015 478 HG22 ILE 64 2HG2 ILE 64 -7.386 7.926 3.468 479 HG23 ILE 64 3HG2 ILE 64 -8.706 6.763 3.387 480 HD11 ILE 64 3HD1 ILE 64 -7.023 9.715 1.787 481 HD12 ILE 64 1HD1 ILE 64 -6.003 9.636 0.351 482 HD13 ILE 64 2HD1 ILE 64 -5.308 9.334 1.944 483 H ASP 65 H ASP 65 -10.439 6.853 0.172 484 HA ASP 65 HA ASP 65 -12.136 5.974 2.303 485 HB2 ASP 65 2HB ASP 65 -12.484 7.536 -0.209 486 HB3 ASP 65 1HB ASP 65 -13.917 6.822 0.528 487 H ASN 66 H ASN 66 -10.998 4.481 -0.528 488 HA ASN 66 HA ASN 66 -13.353 2.726 -0.694 489 HB2 ASN 66 2HB ASN 66 -11.086 3.317 -2.551 490 HB3 ASN 66 1HB ASN 66 -11.915 1.774 -2.686 491 HD21 ASN 66 1HD2 ASN 66 -12.673 2.330 -4.733 492 HD22 ASN 66 2HD2 ASN 66 -13.977 3.443 -4.948 493 H MET 67 H MET 67 -9.831 2.511 -0.305 494 HA MET 67 HA MET 67 -9.937 -0.320 0.154 495 HB2 MET 67 2HB MET 67 -8.009 1.346 -0.738 496 HB3 MET 67 1HB MET 67 -7.509 1.153 0.933 497 HG2 MET 67 2HG MET 67 -6.370 -0.509 -0.264 498 HG3 MET 67 1HG MET 67 -7.688 -1.340 0.561 499 HE1 MET 67 3HE MET 67 -7.805 -3.516 -1.021 500 HE2 MET 67 1HE MET 67 -6.257 -2.852 -1.543 501 HE3 MET 67 2HE MET 67 -7.438 -3.381 -2.741 502 H ASN 68 H ASN 68 -10.113 2.493 2.178 503 HA ASN 68 HA ASN 68 -9.139 1.472 4.578 504 HB2 ASN 68 2HB ASN 68 -10.064 3.853 3.968 505 HB3 ASN 68 1HB ASN 68 -11.576 3.210 4.594 506 HD21 ASN 68 1HD2 ASN 68 -11.908 3.694 6.625 507 HD22 ASN 68 2HD2 ASN 68 -10.700 3.881 7.846 508 H GLU 69 H GLU 69 -9.700 -0.323 5.566 509 HA GLU 69 HA GLU 69 -10.949 -1.916 6.601 510 HB2 GLU 69 2HB GLU 69 -12.570 0.366 6.696 511 HB3 GLU 69 1HB GLU 69 -13.623 -0.915 6.115 512 HG2 GLU 69 2HG GLU 69 -13.576 -2.036 8.073 513 HG3 GLU 69 1HG GLU 69 -11.911 -1.575 8.426 514 H SER 70 H SER 70 -10.372 -1.960 3.729 515 HA SER 70 HA SER 70 -12.674 -3.408 2.647 516 HB2 SER 70 2HB SER 70 -10.812 -1.670 1.474 517 HB3 SER 70 1HB SER 70 -10.384 -3.267 0.866 518 HG SER 70 HG SER 70 -12.538 -1.700 0.289 519 H GLU 71 H GLU 71 -11.616 -5.252 1.029 520 HA GLU 71 HA GLU 71 -9.761 -6.851 2.639 521 HB2 GLU 71 2HB GLU 71 -12.230 -7.440 3.044 522 HB3 GLU 71 1HB GLU 71 -12.207 -8.102 1.416 523 HG2 GLU 71 2HG GLU 71 -10.908 -9.870 1.998 524 HG3 GLU 71 1HG GLU 71 -10.077 -8.985 3.277 525 H LEU 72 H LEU 72 -8.211 -7.818 1.480 526 HA LEU 72 HA LEU 72 -8.712 -8.440 -1.334 527 HB2 LEU 72 2HB LEU 72 -6.635 -7.490 -2.107 528 HB3 LEU 72 1HB LEU 72 -7.605 -6.242 -1.353 529 HG LEU 72 HG LEU 72 -6.109 -6.783 0.746 530 HD11 LEU 72 1HD1 LEU 72 -4.096 -7.759 0.431 531 HD12 LEU 72 2HD1 LEU 72 -4.019 -7.310 -1.273 532 HD13 LEU 72 3HD1 LEU 72 -5.033 -8.656 -0.760 533 HD21 LEU 72 3HD2 LEU 72 -4.505 -5.065 -0.032 534 HD22 LEU 72 1HD2 LEU 72 -6.182 -4.620 -0.330 535 HD23 LEU 72 2HD2 LEU 72 -5.181 -5.208 -1.655 536 H PHE 73 H PHE 73 -7.954 -10.391 -1.887 537 HA PHE 73 HA PHE 73 -7.009 -12.452 -1.670 538 HB2 PHE 73 2HB PHE 73 -4.881 -10.780 -0.322 539 HB3 PHE 73 1HB PHE 73 -4.694 -12.502 -0.641 540 HD1 PHE 73 1HD PHE 73 -5.503 -13.056 -3.212 541 HD2 PHE 73 2HD PHE 73 -3.768 -9.434 -1.799 542 HE1 PHE 73 1HE PHE 73 -4.719 -12.551 -5.488 543 HE2 PHE 73 2HE PHE 73 -2.978 -8.924 -4.076 544 HZ PHE 73 HZ PHE 73 -3.457 -10.486 -5.921 545 H GLY 74 H GLY 74 -8.985 -11.761 0.159 546 HA2 GLY 74 2HA GLY 74 -9.952 -12.555 2.085 547 HA3 GLY 74 1HA GLY 74 -8.662 -13.751 2.134 548 H ARG 75 H ARG 75 -7.827 -10.395 2.082 549 HA ARG 75 HA ARG 75 -7.287 -10.473 4.962 550 HB2 ARG 75 2HB ARG 75 -5.462 -9.439 2.799 551 HB3 ARG 75 1HB ARG 75 -5.168 -9.285 4.528 552 HG2 ARG 75 2HG ARG 75 -5.668 -11.990 3.425 553 HG3 ARG 75 1HG ARG 75 -4.108 -11.230 3.116 554 HD2 ARG 75 2HD ARG 75 -3.485 -11.304 5.304 555 HD3 ARG 75 1HD ARG 75 -5.141 -11.131 5.885 556 HE ARG 75 HE ARG 75 -4.909 -13.631 4.666 557 HH11 ARG 75 1HH1 ARG 75 -3.675 -11.940 7.457 558 HH12 ARG 75 2HH1 ARG 75 -3.497 -13.378 8.406 559 HH21 ARG 75 1HH2 ARG 75 -4.679 -15.523 5.913 560 HH22 ARG 75 2HH2 ARG 75 -4.067 -15.413 7.528 561 H THR 76 H THR 76 -7.842 -8.765 6.100 562 HA THR 76 HA THR 76 -9.187 -6.578 4.776 563 HB THR 76 HB THR 76 -8.679 -6.823 7.737 564 HG1 THR 76 1HG THR 76 -10.384 -8.317 6.118 565 HG21 THR 76 3HG2 THR 76 -9.674 -4.726 6.960 566 HG22 THR 76 1HG2 THR 76 -10.776 -5.658 7.973 567 HG23 THR 76 2HG2 THR 76 -10.991 -5.638 6.223 568 H ILE 77 H ILE 77 -8.247 -4.719 4.274 569 HA ILE 77 HA ILE 77 -5.724 -4.021 5.612 570 HB ILE 77 HB ILE 77 -5.017 -2.885 3.554 571 HG12 ILE 77 2HG1 ILE 77 -7.367 -2.542 2.688 572 HG13 ILE 77 1HG1 ILE 77 -6.195 -3.080 1.491 573 HG21 ILE 77 1HG2 ILE 77 -4.092 -5.008 3.809 574 HG22 ILE 77 2HG2 ILE 77 -4.728 -5.011 2.164 575 HG23 ILE 77 3HG2 ILE 77 -5.617 -5.819 3.455 576 HD11 ILE 77 3HD1 ILE 77 -8.660 -4.283 2.303 577 HD12 ILE 77 1HD1 ILE 77 -7.329 -5.413 2.531 578 HD13 ILE 77 2HD1 ILE 77 -7.613 -4.688 0.949 579 H ARG 78 H ARG 78 -5.234 -1.804 5.790 580 HA ARG 78 HA ARG 78 -7.535 0.025 5.668 581 HB2 ARG 78 2HB ARG 78 -5.523 -0.193 7.919 582 HB3 ARG 78 1HB ARG 78 -6.768 1.042 7.790 583 HG2 ARG 78 2HG ARG 78 -8.497 -0.644 7.986 584 HG3 ARG 78 1HG ARG 78 -7.274 -1.916 8.037 585 HD2 ARG 78 2HD ARG 78 -7.682 -1.637 10.276 586 HD3 ARG 78 1HD ARG 78 -6.346 -0.507 10.045 587 HE ARG 78 HE ARG 78 -8.714 0.894 9.623 588 HH11 ARG 78 1HH1 ARG 78 -7.080 -0.742 12.237 589 HH12 ARG 78 2HH1 ARG 78 -7.773 0.263 13.465 590 HH21 ARG 78 1HH2 ARG 78 -9.620 2.219 11.233 591 HH22 ARG 78 2HH2 ARG 78 -9.217 1.945 12.894 592 H VAL 79 H VAL 79 -7.068 2.054 4.895 593 HA VAL 79 HA VAL 79 -4.234 2.585 4.324 594 HB VAL 79 HB VAL 79 -6.645 3.094 2.588 595 HG11 VAL 79 1HG1 VAL 79 -5.131 5.083 2.592 596 HG12 VAL 79 2HG1 VAL 79 -5.250 4.276 1.028 597 HG13 VAL 79 3HG1 VAL 79 -3.828 4.029 2.042 598 HG21 VAL 79 3HG2 VAL 79 -6.019 1.100 1.800 599 HG22 VAL 79 1HG2 VAL 79 -4.498 1.135 2.683 600 HG23 VAL 79 2HG2 VAL 79 -4.621 1.918 1.109 601 H ASN 80 H ASN 80 -3.523 4.750 4.370 602 HA ASN 80 HA ASN 80 -5.294 6.831 5.254 603 HB2 ASN 80 2HB ASN 80 -4.256 5.265 7.253 604 HB3 ASN 80 1HB ASN 80 -3.080 6.573 7.168 605 HD21 ASN 80 1HD2 ASN 80 -3.568 8.479 8.056 606 HD22 ASN 80 2HD2 ASN 80 -5.096 8.889 8.746 607 H LEU 81 H LEU 81 -4.123 8.904 5.596 608 HA LEU 81 HA LEU 81 -2.231 9.264 3.470 609 HB2 LEU 81 2HB LEU 81 -2.285 11.672 4.244 610 HB3 LEU 81 1HB LEU 81 -3.796 10.991 3.680 611 HG LEU 81 HG LEU 81 -3.245 10.934 6.607 612 HD11 LEU 81 1HD1 LEU 81 -4.212 13.201 6.819 613 HD12 LEU 81 2HD1 LEU 81 -4.081 13.389 5.071 614 HD13 LEU 81 3HD1 LEU 81 -2.626 13.193 6.049 615 HD21 LEU 81 3HD2 LEU 81 -5.359 10.257 6.611 616 HD22 LEU 81 1HD2 LEU 81 -5.443 10.442 4.860 617 HD23 LEU 81 2HD2 LEU 81 -5.855 11.797 5.910 618 H ALA 82 H ALA 82 -2.050 8.866 6.902 619 HA ALA 82 HA ALA 82 -0.307 8.780 8.364 620 HB1 ALA 82 1HB ALA 82 1.234 8.385 5.805 621 HB2 ALA 82 2HB ALA 82 0.615 7.137 6.886 622 HB3 ALA 82 3HB ALA 82 1.923 8.194 7.417 623 H LYS 83 H LYS 83 1.602 9.941 9.168 624 HA LYS 83 HA LYS 83 1.508 12.735 8.323 625 HB2 LYS 83 2HB LYS 83 1.877 11.364 10.836 626 HB3 LYS 83 1HB LYS 83 3.202 12.485 10.557 627 HG2 LYS 83 2HG LYS 83 1.392 14.211 10.034 628 HG3 LYS 83 1HG LYS 83 0.273 13.068 10.781 629 HD2 LYS 83 2HD LYS 83 1.222 13.306 12.873 630 HD3 LYS 83 1HD LYS 83 2.773 13.837 12.223 631 HE2 LYS 83 2HE LYS 83 1.569 15.670 13.319 632 HE3 LYS 83 1HE LYS 83 1.804 15.976 11.599 633 HZ1 LYS 83 3HZ LYS 83 -0.378 16.496 11.765 634 HZ2 LYS 83 1HZ LYS 83 -0.659 15.466 13.076 635 HZ3 LYS 83 2HZ LYS 83 -0.566 14.835 11.511 Start of MODEL 4 1 H1 GLY -2 1HT GLY -2 4.492 23.636 6.844 2 H2 GLY -2 2HT GLY -2 5.699 22.937 7.796 3 H3 GLY -2 3HT GLY -2 4.615 21.951 6.954 4 HA2 GLY -2 1HA GLY -2 6.199 23.840 5.389 5 HA3 GLY -2 2HA GLY -2 7.031 22.439 6.054 6 H SER -1 H SER -1 4.109 23.313 4.220 7 HA SER -1 HA SER -1 3.081 22.327 2.453 8 HB2 SER -1 2HB SER -1 5.615 20.740 2.019 9 HB3 SER -1 1HB SER -1 4.411 21.207 0.819 10 HG SER -1 HG SER -1 5.936 22.699 0.539 11 H THR 3 H THR 3 2.155 20.302 1.687 12 HA THR 3 HA THR 3 2.332 18.130 3.668 13 HB THR 3 HB THR 3 -0.200 17.835 3.058 14 HG1 THR 3 1HG THR 3 0.177 20.605 2.584 15 HG21 THR 3 3HG2 THR 3 -0.007 18.283 5.265 16 HG22 THR 3 1HG2 THR 3 -0.706 19.817 4.746 17 HG23 THR 3 2HG2 THR 3 1.033 19.683 5.008 18 H THR 4 H THR 4 0.408 18.545 0.717 19 HA THR 4 HA THR 4 0.238 17.308 -1.181 20 HB THR 4 HB THR 4 3.069 16.381 -0.863 21 HG1 THR 4 1HG THR 4 3.854 18.346 -1.220 22 HG21 THR 4 3HG2 THR 4 2.897 15.947 -3.020 23 HG22 THR 4 1HG2 THR 4 2.531 17.641 -3.342 24 HG23 THR 4 2HG2 THR 4 1.224 16.506 -3.004 25 H LYS 5 H LYS 5 -1.190 15.754 -0.463 26 HA LYS 5 HA LYS 5 -0.116 13.313 0.730 27 HB2 LYS 5 2HB LYS 5 -2.579 12.691 0.851 28 HB3 LYS 5 1HB LYS 5 -2.066 14.051 1.839 29 HG2 LYS 5 2HG LYS 5 -2.975 14.824 -0.824 30 HG3 LYS 5 1HG LYS 5 -4.213 14.030 0.150 31 HD2 LYS 5 2HD LYS 5 -2.537 16.248 1.276 32 HD3 LYS 5 1HD LYS 5 -3.975 16.591 0.313 33 HE2 LYS 5 2HE LYS 5 -5.340 16.071 2.003 34 HE3 LYS 5 1HE LYS 5 -4.464 14.583 2.356 35 HZ1 LYS 5 3HZ LYS 5 -3.159 15.606 3.888 36 HZ2 LYS 5 1HZ LYS 5 -4.538 16.574 4.047 37 HZ3 LYS 5 2HZ LYS 5 -3.224 17.116 3.129 38 H ARG 6 H ARG 6 0.823 12.087 -0.827 39 HA ARG 6 HA ARG 6 -0.913 11.219 -3.022 40 HB2 ARG 6 2HB ARG 6 1.681 12.584 -3.229 41 HB3 ARG 6 1HB ARG 6 1.573 11.105 -4.175 42 HG2 ARG 6 2HG ARG 6 0.023 11.959 -5.596 43 HG3 ARG 6 1HG ARG 6 -0.690 13.004 -4.369 44 HD2 ARG 6 2HD ARG 6 0.381 14.406 -5.957 45 HD3 ARG 6 1HD ARG 6 1.375 14.413 -4.501 46 HE ARG 6 HE ARG 6 2.623 12.546 -5.858 47 HH11 ARG 6 1HH1 ARG 6 1.317 15.561 -7.055 48 HH12 ARG 6 2HH1 ARG 6 2.476 15.692 -8.333 49 HH21 ARG 6 1HH2 ARG 6 4.141 12.732 -7.542 50 HH22 ARG 6 2HH2 ARG 6 4.078 14.098 -8.604 51 H VAL 7 H VAL 7 0.715 10.331 -0.349 52 HA VAL 7 HA VAL 7 1.215 7.647 -1.401 53 HB VAL 7 HB VAL 7 2.742 7.687 0.873 54 HG11 VAL 7 1HG1 VAL 7 4.479 7.189 -0.517 55 HG12 VAL 7 2HG1 VAL 7 4.053 8.439 -1.684 56 HG13 VAL 7 3HG1 VAL 7 3.123 6.943 -1.618 57 HG21 VAL 7 3HG2 VAL 7 4.127 9.920 -0.145 58 HG22 VAL 7 1HG2 VAL 7 3.383 9.731 1.440 59 HG23 VAL 7 2HG2 VAL 7 2.465 10.435 0.115 60 H LEU 8 H LEU 8 0.171 6.020 -0.408 61 HA LEU 8 HA LEU 8 -1.230 6.642 2.109 62 HB2 LEU 8 2HB LEU 8 -2.135 4.645 0.045 63 HB3 LEU 8 1HB LEU 8 -3.037 5.242 1.426 64 HG LEU 8 HG LEU 8 -2.280 6.845 -1.019 65 HD11 LEU 8 1HD1 LEU 8 -4.539 5.152 -0.386 66 HD12 LEU 8 2HD1 LEU 8 -4.109 5.941 -1.899 67 HD13 LEU 8 3HD1 LEU 8 -5.035 6.814 -0.692 68 HD21 LEU 8 3HD2 LEU 8 -2.346 8.491 0.556 69 HD22 LEU 8 1HD2 LEU 8 -3.426 7.589 1.619 70 HD23 LEU 8 2HD2 LEU 8 -4.066 8.384 0.180 71 H TYR 9 H TYR 9 -1.549 4.882 3.601 72 HA TYR 9 HA TYR 9 0.565 2.833 3.362 73 HB2 TYR 9 2HB TYR 9 0.678 4.486 5.294 74 HB3 TYR 9 1HB TYR 9 -0.778 3.717 5.918 75 HD1 TYR 9 1HD TYR 9 -0.533 0.983 5.907 76 HD2 TYR 9 2HD TYR 9 2.642 3.795 6.272 77 HE1 TYR 9 1HE TYR 9 0.849 -0.730 6.990 78 HE2 TYR 9 2HE TYR 9 4.031 2.085 7.368 79 HH TYR 9 HH TYR 9 3.906 -0.759 7.213 80 H VAL 10 H VAL 10 0.032 0.723 3.411 81 HA VAL 10 HA VAL 10 -2.815 0.070 3.816 82 HB VAL 10 HB VAL 10 -0.730 -1.513 2.303 83 HG11 VAL 10 1HG1 VAL 10 -2.775 -2.719 1.449 84 HG12 VAL 10 2HG1 VAL 10 -3.684 -1.913 2.729 85 HG13 VAL 10 3HG1 VAL 10 -2.364 -3.011 3.137 86 HG21 VAL 10 3HG2 VAL 10 -2.526 0.670 1.510 87 HG22 VAL 10 1HG2 VAL 10 -2.585 -0.750 0.467 88 HG23 VAL 10 2HG2 VAL 10 -1.052 0.074 0.746 89 H GLY 11 H GLY 11 -3.323 -1.049 5.593 90 HA2 GLY 11 2HA GLY 11 -1.199 -2.658 6.858 91 HA3 GLY 11 1HA GLY 11 -2.332 -1.703 7.791 92 H GLY 12 H GLY 12 -1.616 -4.757 6.936 93 HA2 GLY 12 2HA GLY 12 -3.094 -6.487 7.884 94 HA3 GLY 12 1HA GLY 12 -4.435 -5.636 7.120 95 H LEU 13 H LEU 13 -1.263 -6.258 5.783 96 HA LEU 13 HA LEU 13 -2.473 -7.474 3.461 97 HB2 LEU 13 2HB LEU 13 0.252 -6.455 4.126 98 HB3 LEU 13 1HB LEU 13 -0.049 -7.334 2.654 99 HG LEU 13 HG LEU 13 -1.344 -4.725 3.433 100 HD11 LEU 13 1HD1 LEU 13 1.146 -4.754 2.874 101 HD12 LEU 13 2HD1 LEU 13 0.117 -3.630 1.984 102 HD13 LEU 13 3HD1 LEU 13 0.638 -5.138 1.229 103 HD21 LEU 13 3HD2 LEU 13 -2.389 -6.571 1.733 104 HD22 LEU 13 1HD2 LEU 13 -1.386 -5.629 0.634 105 HD23 LEU 13 2HD2 LEU 13 -2.638 -4.834 1.583 106 H ALA 14 H ALA 14 -0.915 -9.102 2.383 107 HA ALA 14 HA ALA 14 -0.067 -11.171 4.292 108 HB1 ALA 14 1HB ALA 14 -0.847 -12.808 2.447 109 HB2 ALA 14 2HB ALA 14 -1.831 -11.458 1.881 110 HB3 ALA 14 3HB ALA 14 -2.060 -12.096 3.509 111 H GLU 15 H GLU 15 1.117 -12.962 2.679 112 HA GLU 15 HA GLU 15 3.399 -11.503 1.688 113 HB2 GLU 15 2HB GLU 15 3.152 -13.929 2.864 114 HB3 GLU 15 1HB GLU 15 3.232 -14.407 1.172 115 HG2 GLU 15 2HG GLU 15 5.332 -13.154 0.937 116 HG3 GLU 15 1HG GLU 15 5.257 -12.741 2.650 117 H GLU 16 H GLU 16 0.487 -12.177 0.328 118 HA GLU 16 HA GLU 16 1.458 -12.911 -2.306 119 HB2 GLU 16 2HB GLU 16 -1.373 -12.153 -2.030 120 HB3 GLU 16 1HB GLU 16 -0.651 -13.578 -2.763 121 HG2 GLU 16 2HG GLU 16 -0.191 -14.330 -0.354 122 HG3 GLU 16 1HG GLU 16 -1.363 -13.090 0.103 123 H VAL 17 H VAL 17 0.073 -10.082 -0.702 124 HA VAL 17 HA VAL 17 -0.335 -8.540 -3.008 125 HB VAL 17 HB VAL 17 -1.383 -7.973 -0.867 126 HG11 VAL 17 1HG1 VAL 17 0.718 -8.580 0.437 127 HG12 VAL 17 2HG1 VAL 17 -0.197 -7.186 0.983 128 HG13 VAL 17 3HG1 VAL 17 1.279 -6.954 0.059 129 HG21 VAL 17 3HG2 VAL 17 0.407 -5.672 -1.555 130 HG22 VAL 17 1HG2 VAL 17 -1.302 -5.657 -1.131 131 HG23 VAL 17 2HG2 VAL 17 -0.793 -6.254 -2.699 132 H ASP 18 H ASP 18 0.844 -7.033 -3.974 133 HA ASP 18 HA ASP 18 3.526 -6.382 -3.092 134 HB2 ASP 18 2HB ASP 18 4.468 -6.983 -5.369 135 HB3 ASP 18 1HB ASP 18 4.075 -8.347 -4.329 136 H ASP 19 H ASP 19 4.530 -4.936 -4.980 137 HA ASP 19 HA ASP 19 2.883 -2.661 -5.175 138 HB2 ASP 19 2HB ASP 19 4.625 -1.789 -6.724 139 HB3 ASP 19 1HB ASP 19 5.297 -2.425 -5.227 140 H LYS 20 H LYS 20 3.409 -5.406 -7.184 141 HA LYS 20 HA LYS 20 2.381 -4.461 -9.623 142 HB2 LYS 20 2HB LYS 20 2.391 -7.244 -8.463 143 HB3 LYS 20 1HB LYS 20 2.236 -6.846 -10.173 144 HG2 LYS 20 2HG LYS 20 4.620 -6.638 -8.379 145 HG3 LYS 20 1HG LYS 20 4.460 -7.485 -9.920 146 HD2 LYS 20 2HD LYS 20 4.304 -5.336 -11.079 147 HD3 LYS 20 1HD LYS 20 4.454 -4.492 -9.535 148 HE2 LYS 20 2HE LYS 20 6.676 -5.140 -9.257 149 HE3 LYS 20 1HE LYS 20 6.537 -6.449 -10.431 150 HZ1 LYS 20 3HZ LYS 20 7.685 -4.152 -11.003 151 HZ2 LYS 20 1HZ LYS 20 6.094 -3.739 -11.411 152 HZ3 LYS 20 2HZ LYS 20 6.847 -5.053 -12.164 153 H VAL 21 H VAL 21 0.887 -6.329 -7.006 154 HA VAL 21 HA VAL 21 -1.703 -6.333 -8.202 155 HB VAL 21 HB VAL 21 -0.638 -7.880 -6.268 156 HG11 VAL 21 1HG1 VAL 21 -0.730 -5.993 -4.637 157 HG12 VAL 21 2HG1 VAL 21 -1.579 -7.447 -4.127 158 HG13 VAL 21 3HG1 VAL 21 -2.489 -6.068 -4.738 159 HG21 VAL 21 3HG2 VAL 21 -2.975 -7.826 -7.634 160 HG22 VAL 21 1HG2 VAL 21 -3.557 -7.610 -5.984 161 HG23 VAL 21 2HG2 VAL 21 -2.582 -9.020 -6.396 162 H LEU 22 H LEU 22 -0.164 -4.468 -5.622 163 HA LEU 22 HA LEU 22 -2.395 -2.928 -4.885 164 HB2 LEU 22 2HB LEU 22 0.572 -2.459 -4.714 165 HB3 LEU 22 1HB LEU 22 -0.573 -1.255 -4.156 166 HG LEU 22 HG LEU 22 -1.023 -3.959 -3.092 167 HD11 LEU 22 1HD1 LEU 22 1.572 -2.552 -2.754 168 HD12 LEU 22 2HD1 LEU 22 1.217 -4.277 -2.766 169 HD13 LEU 22 3HD1 LEU 22 0.858 -3.316 -1.336 170 HD21 LEU 22 3HD2 LEU 22 -2.087 -2.796 -1.543 171 HD22 LEU 22 1HD2 LEU 22 -1.729 -1.334 -2.461 172 HD23 LEU 22 2HD2 LEU 22 -0.647 -1.854 -1.171 173 H HIS 23 H HIS 23 -0.036 -2.652 -7.427 174 HA HIS 23 HA HIS 23 -0.609 -0.031 -8.270 175 HB2 HIS 23 2HB HIS 23 1.389 -1.153 -9.024 176 HB3 HIS 23 1HB HIS 23 0.450 -2.459 -9.734 177 HD1 HIS 23 1HD HIS 23 -0.915 -1.822 -11.940 178 HD2 HIS 23 2HD HIS 23 1.857 0.994 -10.660 179 HE1 HIS 23 1HE HIS 23 -0.547 -0.299 -13.906 180 HE2 HIS 23 2HE HIS 23 1.222 1.324 -13.144 181 H ALA 24 H ALA 24 -1.730 -3.158 -9.504 182 HA ALA 24 HA ALA 24 -3.658 -2.088 -11.276 183 HB1 ALA 24 1HB ALA 24 -4.514 -4.640 -10.812 184 HB2 ALA 24 2HB ALA 24 -2.802 -4.737 -10.399 185 HB3 ALA 24 3HB ALA 24 -3.292 -4.173 -11.995 186 H ALA 25 H ALA 25 -3.866 -3.360 -7.982 187 HA ALA 25 HA ALA 25 -6.686 -3.258 -7.793 188 HB1 ALA 25 1HB ALA 25 -6.085 -3.233 -5.251 189 HB2 ALA 25 2HB ALA 25 -4.463 -3.577 -5.848 190 HB3 ALA 25 3HB ALA 25 -5.792 -4.670 -6.231 191 H PHE 26 H PHE 26 -4.156 -0.934 -7.029 192 HA PHE 26 HA PHE 26 -6.179 0.863 -5.958 193 HB2 PHE 26 2HB PHE 26 -3.173 0.989 -5.926 194 HB3 PHE 26 1HB PHE 26 -4.206 2.265 -5.302 195 HD1 PHE 26 2HD PHE 26 -3.974 -1.481 -4.988 196 HD2 PHE 26 1HD PHE 26 -4.498 2.277 -3.051 197 HE1 PHE 26 2HE PHE 26 -4.115 -2.616 -2.811 198 HE2 PHE 26 1HE PHE 26 -4.619 1.149 -0.880 199 HZ PHE 26 HZ PHE 26 -4.437 -1.303 -0.752 200 H ILE 27 H ILE 27 -4.738 0.274 -8.939 201 HA ILE 27 HA ILE 27 -4.384 2.895 -9.916 202 HB ILE 27 HB ILE 27 -3.693 0.648 -11.013 203 HG12 ILE 27 2HG1 ILE 27 -4.065 1.919 -13.338 204 HG13 ILE 27 1HG1 ILE 27 -4.451 3.235 -12.234 205 HG21 ILE 27 1HG2 ILE 27 -5.234 0.187 -13.001 206 HG22 ILE 27 2HG2 ILE 27 -6.486 0.945 -12.024 207 HG23 ILE 27 3HG2 ILE 27 -5.655 -0.491 -11.437 208 HD11 ILE 27 3HD1 ILE 27 -2.241 2.623 -11.087 209 HD12 ILE 27 1HD1 ILE 27 -2.191 3.498 -12.617 210 HD13 ILE 27 2HD1 ILE 27 -1.879 1.762 -12.582 211 HA PRO 28 HA PRO 28 -9.074 2.472 -11.391 212 HB2 PRO 28 2HB PRO 28 -10.608 1.435 -9.333 213 HB3 PRO 28 1HB PRO 28 -10.129 0.538 -10.777 214 HG2 PRO 28 2HG PRO 28 -8.894 0.544 -8.052 215 HG3 PRO 28 1HG PRO 28 -9.190 -0.821 -9.146 216 HD2 PRO 28 2HD PRO 28 -6.759 0.226 -8.894 217 HD3 PRO 28 1HD PRO 28 -7.355 -0.309 -10.473 218 H PHE 29 H PHE 29 -8.291 2.637 -7.927 219 HA PHE 29 HA PHE 29 -9.991 4.878 -7.421 220 HB2 PHE 29 2HB PHE 29 -7.625 4.241 -5.691 221 HB3 PHE 29 1HB PHE 29 -9.224 4.804 -5.222 222 HD1 PHE 29 1HD PHE 29 -11.109 2.985 -6.169 223 HD2 PHE 29 2HD PHE 29 -7.137 2.168 -4.874 224 HE1 PHE 29 1HE PHE 29 -11.759 0.674 -5.635 225 HE2 PHE 29 2HE PHE 29 -7.774 -0.136 -4.339 226 HZ PHE 29 HZ PHE 29 -10.093 -0.894 -4.721 227 H GLY 30 H GLY 30 -6.778 4.442 -8.622 228 HA2 GLY 30 2HA GLY 30 -6.460 7.004 -9.587 229 HA3 GLY 30 1HA GLY 30 -5.771 7.015 -7.973 230 H ASP 31 H ASP 31 -4.825 6.913 -10.992 231 HA ASP 31 HA ASP 31 -3.254 4.629 -11.258 232 HB2 ASP 31 2HB ASP 31 -2.540 7.323 -12.398 233 HB3 ASP 31 1HB ASP 31 -2.128 5.732 -13.032 234 H ILE 32 H ILE 32 -1.944 3.976 -9.777 235 HA ILE 32 HA ILE 32 -0.532 5.512 -7.923 236 HB ILE 32 HB ILE 32 0.078 2.755 -8.999 237 HG12 ILE 32 2HG1 ILE 32 -1.040 2.419 -6.535 238 HG13 ILE 32 1HG1 ILE 32 -1.912 3.836 -7.124 239 HG21 ILE 32 1HG2 ILE 32 1.441 2.338 -7.155 240 HG22 ILE 32 2HG2 ILE 32 0.889 3.772 -6.298 241 HG23 ILE 32 3HG2 ILE 32 1.942 3.933 -7.701 242 HD11 ILE 32 3HD1 ILE 32 -2.412 1.153 -7.713 243 HD12 ILE 32 1HD1 ILE 32 -1.753 1.861 -9.186 244 HD13 ILE 32 2HD1 ILE 32 -3.162 2.583 -8.420 245 H THR 33 H THR 33 1.672 6.014 -7.757 246 HA THR 33 HA THR 33 3.093 6.253 -10.322 247 HB THR 33 HB THR 33 3.914 8.027 -8.163 248 HG1 THR 33 1HG THR 33 1.504 7.900 -8.085 249 HG21 THR 33 3HG2 THR 33 4.842 8.920 -9.977 250 HG22 THR 33 1HG2 THR 33 3.244 9.597 -10.297 251 HG23 THR 33 2HG2 THR 33 3.732 8.086 -11.063 252 H ASP 34 H ASP 34 3.303 5.456 -6.939 253 HA ASP 34 HA ASP 34 5.672 3.941 -7.483 254 HB2 ASP 34 2HB ASP 34 6.553 6.203 -6.990 255 HB3 ASP 34 1HB ASP 34 5.777 6.133 -5.410 256 H ILE 35 H ILE 35 6.077 2.320 -5.942 257 HA ILE 35 HA ILE 35 4.303 2.201 -3.620 258 HB ILE 35 HB ILE 35 4.631 -0.151 -5.482 259 HG12 ILE 35 2HG1 ILE 35 2.226 1.644 -5.097 260 HG13 ILE 35 1HG1 ILE 35 3.291 1.679 -6.497 261 HG21 ILE 35 1HG2 ILE 35 3.129 0.320 -2.933 262 HG22 ILE 35 2HG2 ILE 35 4.228 -0.995 -3.346 263 HG23 ILE 35 3HG2 ILE 35 2.622 -0.927 -4.073 264 HD11 ILE 35 3HD1 ILE 35 1.017 0.357 -6.510 265 HD12 ILE 35 1HD1 ILE 35 2.013 -0.900 -5.778 266 HD13 ILE 35 2HD1 ILE 35 2.440 -0.247 -7.360 267 H GLN 36 H GLN 36 5.522 1.875 -1.891 268 HA GLN 36 HA GLN 36 7.971 0.259 -2.186 269 HB2 GLN 36 2HB GLN 36 8.227 2.773 -1.760 270 HB3 GLN 36 1HB GLN 36 7.615 2.443 -0.144 271 HG2 GLN 36 2HG GLN 36 9.534 1.489 0.533 272 HG3 GLN 36 1HG GLN 36 9.827 0.722 -1.027 273 HE21 GLN 36 1HE2 GLN 36 9.998 2.714 -2.768 274 HE22 GLN 36 2HE2 GLN 36 11.276 3.804 -2.365 275 H ILE 37 H ILE 37 8.168 -1.455 -0.920 276 HA ILE 37 HA ILE 37 6.298 -1.749 1.340 277 HB ILE 37 HB ILE 37 7.559 -3.953 -0.300 278 HG12 ILE 37 2HG1 ILE 37 4.639 -3.624 -0.369 279 HG13 ILE 37 1HG1 ILE 37 5.521 -2.290 -1.102 280 HG21 ILE 37 1HG2 ILE 37 6.083 -3.908 2.210 281 HG22 ILE 37 2HG2 ILE 37 7.063 -5.186 1.496 282 HG23 ILE 37 3HG2 ILE 37 5.379 -4.994 1.014 283 HD11 ILE 37 3HD1 ILE 37 6.756 -3.994 -2.467 284 HD12 ILE 37 1HD1 ILE 37 5.036 -3.834 -2.821 285 HD13 ILE 37 2HD1 ILE 37 5.616 -5.194 -1.857 286 HA PRO 38 HA PRO 38 10.124 -1.223 3.718 287 HB2 PRO 38 2HB PRO 38 8.190 -2.410 5.680 288 HB3 PRO 38 1HB PRO 38 9.378 -1.118 5.917 289 HG2 PRO 38 2HG PRO 38 6.865 -0.464 5.542 290 HG3 PRO 38 1HG PRO 38 8.137 0.417 4.671 291 HD2 PRO 38 2HD PRO 38 6.254 -1.675 3.657 292 HD3 PRO 38 1HD PRO 38 6.864 -0.218 2.844 293 H LEU 39 H LEU 39 11.727 -2.551 3.684 294 HA LEU 39 HA LEU 39 11.330 -5.375 4.385 295 HB2 LEU 39 2HB LEU 39 12.849 -4.317 2.004 296 HB3 LEU 39 1HB LEU 39 12.999 -5.960 2.598 297 HG LEU 39 HG LEU 39 10.228 -5.182 2.100 298 HD11 LEU 39 1HD1 LEU 39 11.118 -3.869 0.313 299 HD12 LEU 39 2HD1 LEU 39 10.467 -5.354 -0.379 300 HD13 LEU 39 3HD1 LEU 39 12.210 -5.168 -0.168 301 HD21 LEU 39 3HD2 LEU 39 11.554 -7.402 0.669 302 HD22 LEU 39 1HD2 LEU 39 10.016 -7.362 1.531 303 HD23 LEU 39 2HD2 LEU 39 11.528 -7.497 2.430 304 H ASP 40 H ASP 40 13.408 -6.473 4.892 305 HA ASP 40 HA ASP 40 15.013 -4.732 6.572 306 HB2 ASP 40 2HB ASP 40 14.564 -7.665 6.350 307 HB3 ASP 40 1HB ASP 40 16.108 -7.133 7.006 308 H TYR 41 H TYR 41 17.443 -5.239 6.636 309 HA TYR 41 HA TYR 41 18.432 -5.072 3.886 310 HB2 TYR 41 2HB TYR 41 20.531 -4.223 4.978 311 HB3 TYR 41 1HB TYR 41 19.111 -3.217 5.237 312 HD1 TYR 41 1HD TYR 41 18.022 -3.156 7.452 313 HD2 TYR 41 2HD TYR 41 21.619 -5.332 6.801 314 HE1 TYR 41 1HE TYR 41 18.394 -3.258 9.881 315 HE2 TYR 41 2HE TYR 41 22.000 -5.442 9.225 316 HH TYR 41 HH TYR 41 19.845 -5.066 11.450 317 H GLU 42 H GLU 42 18.722 -6.951 6.819 318 HA GLU 42 HA GLU 42 20.752 -8.670 5.602 319 HB2 GLU 42 2HB GLU 42 19.912 -8.036 8.346 320 HB3 GLU 42 1HB GLU 42 20.249 -9.740 8.076 321 HG2 GLU 42 2HG GLU 42 22.328 -8.205 6.883 322 HG3 GLU 42 1HG GLU 42 22.073 -7.633 8.531 323 H THR 43 H THR 43 17.381 -8.568 6.342 324 HA THR 43 HA THR 43 17.132 -11.410 5.604 325 HB THR 43 HB THR 43 14.765 -10.949 6.761 326 HG1 THR 43 1HG THR 43 15.101 -9.586 8.560 327 HG21 THR 43 3HG2 THR 43 16.848 -11.281 8.798 328 HG22 THR 43 1HG2 THR 43 16.914 -12.423 7.454 329 HG23 THR 43 2HG2 THR 43 15.446 -12.284 8.421 330 H GLU 44 H GLU 44 16.288 -8.178 4.787 331 HA GLU 44 HA GLU 44 14.754 -7.262 3.346 332 HB2 GLU 44 2HB GLU 44 15.024 -8.194 1.019 333 HB3 GLU 44 1HB GLU 44 16.503 -7.696 1.822 334 HG2 GLU 44 2HG GLU 44 17.376 -9.740 1.718 335 HG3 GLU 44 1HG GLU 44 15.884 -10.506 2.245 336 H LYS 45 H LYS 45 13.407 -9.046 5.042 337 HA LYS 45 HA LYS 45 11.378 -10.180 3.222 338 HB2 LYS 45 2HB LYS 45 12.129 -11.041 6.020 339 HB3 LYS 45 1HB LYS 45 10.780 -11.696 5.104 340 HG2 LYS 45 2HG LYS 45 12.676 -12.185 3.334 341 HG3 LYS 45 1HG LYS 45 13.690 -12.133 4.775 342 HD2 LYS 45 2HD LYS 45 12.638 -13.948 5.750 343 HD3 LYS 45 1HD LYS 45 11.186 -13.761 4.765 344 HE2 LYS 45 2HE LYS 45 11.977 -15.241 3.312 345 HE3 LYS 45 1HE LYS 45 13.378 -14.212 3.016 346 HZ1 LYS 45 3HZ LYS 45 13.104 -16.458 4.911 347 HZ2 LYS 45 1HZ LYS 45 14.289 -15.273 5.146 348 HZ3 LYS 45 2HZ LYS 45 14.290 -16.201 3.735 349 H HIS 46 H HIS 46 9.708 -8.796 3.103 350 HA HIS 46 HA HIS 46 9.052 -6.887 5.085 351 HB2 HIS 46 2HB HIS 46 6.977 -6.546 3.782 352 HB3 HIS 46 1HB HIS 46 8.413 -6.539 2.765 353 HD1 HIS 46 1HD HIS 46 5.127 -8.015 3.032 354 HD2 HIS 46 2HD HIS 46 8.773 -9.136 1.383 355 HE1 HIS 46 1HE HIS 46 4.592 -9.854 1.401 356 HE2 HIS 46 2HE HIS 46 6.813 -10.516 0.415 357 H ARG 47 H ARG 47 6.553 -6.866 5.768 358 HA ARG 47 HA ARG 47 6.067 -9.429 7.147 359 HB2 ARG 47 2HB ARG 47 5.951 -6.611 8.061 360 HB3 ARG 47 1HB ARG 47 4.658 -7.657 8.630 361 HG2 ARG 47 2HG ARG 47 6.351 -9.218 9.513 362 HG3 ARG 47 1HG ARG 47 7.612 -8.091 9.011 363 HD2 ARG 47 2HD ARG 47 5.367 -7.341 10.873 364 HD3 ARG 47 1HD ARG 47 6.919 -7.960 11.434 365 HE ARG 47 HE ARG 47 7.349 -5.772 9.715 366 HH11 ARG 47 1HH1 ARG 47 6.121 -6.487 12.904 367 HH12 ARG 47 2HH1 ARG 47 6.552 -4.941 13.553 368 HH21 ARG 47 1HH2 ARG 47 7.924 -3.738 10.572 369 HH22 ARG 47 2HH2 ARG 47 7.583 -3.386 12.233 370 H GLY 48 H GLY 48 4.249 -6.479 6.336 371 HA2 GLY 48 2HA GLY 48 2.496 -7.641 4.499 372 HA3 GLY 48 1HA GLY 48 1.762 -7.781 6.087 373 H PHE 49 H PHE 49 3.791 -5.144 4.867 374 HA PHE 49 HA PHE 49 1.431 -3.434 4.709 375 HB2 PHE 49 2HB PHE 49 3.834 -2.639 6.355 376 HB3 PHE 49 1HB PHE 49 2.297 -1.791 6.210 377 HD1 PHE 49 1HD PHE 49 0.245 -3.554 6.654 378 HD2 PHE 49 2HD PHE 49 4.121 -3.664 8.387 379 HE1 PHE 49 1HE PHE 49 -0.649 -4.860 8.524 380 HE2 PHE 49 2HE PHE 49 3.240 -4.960 10.286 381 HZ PHE 49 HZ PHE 49 0.845 -5.560 10.361 382 H ALA 50 H ALA 50 1.726 -1.528 3.484 383 HA ALA 50 HA ALA 50 4.300 -1.108 2.205 384 HB1 ALA 50 1HB ALA 50 3.753 -1.686 0.048 385 HB2 ALA 50 2HB ALA 50 2.018 -1.566 0.343 386 HB3 ALA 50 3HB ALA 50 2.925 -2.941 0.970 387 H PHE 51 H PHE 51 4.019 0.601 0.400 388 HA PHE 51 HA PHE 51 2.153 2.685 1.320 389 HB2 PHE 51 2HB PHE 51 5.077 2.742 0.970 390 HB3 PHE 51 1HB PHE 51 4.232 4.099 0.235 391 HD1 PHE 51 2HD PHE 51 2.785 5.554 1.668 392 HD2 PHE 51 1HD PHE 51 5.390 2.605 3.288 393 HE1 PHE 51 2HE PHE 51 2.679 6.668 3.858 394 HE2 PHE 51 1HE PHE 51 5.289 3.715 5.482 395 HZ PHE 51 HZ PHE 51 3.932 5.751 5.767 396 H VAL 52 H VAL 52 0.828 3.416 -0.243 397 HA VAL 52 HA VAL 52 1.540 2.821 -3.040 398 HB VAL 52 HB VAL 52 -1.215 3.446 -1.953 399 HG11 VAL 52 1HG1 VAL 52 -2.045 3.017 -4.045 400 HG12 VAL 52 2HG1 VAL 52 -0.683 1.994 -4.500 401 HG13 VAL 52 3HG1 VAL 52 -0.495 3.746 -4.465 402 HG21 VAL 52 3HG2 VAL 52 -1.060 1.408 -1.014 403 HG22 VAL 52 1HG2 VAL 52 0.329 0.945 -1.995 404 HG23 VAL 52 2HG2 VAL 52 -1.299 0.824 -2.661 405 H GLU 53 H GLU 53 2.031 4.483 -4.356 406 HA GLU 53 HA GLU 53 1.350 7.189 -3.450 407 HB2 GLU 53 2HB GLU 53 3.704 7.024 -3.591 408 HB3 GLU 53 1HB GLU 53 3.636 6.119 -5.091 409 HG2 GLU 53 2HG GLU 53 4.057 8.014 -6.142 410 HG3 GLU 53 1HG GLU 53 2.434 8.541 -5.707 411 H PHE 54 H PHE 54 0.172 8.516 -4.765 412 HA PHE 54 HA PHE 54 -0.732 7.338 -7.298 413 HB2 PHE 54 2HB PHE 54 -2.188 9.196 -5.408 414 HB3 PHE 54 1HB PHE 54 -2.808 8.656 -6.967 415 HD1 PHE 54 1HD PHE 54 -1.329 7.145 -3.888 416 HD2 PHE 54 2HD PHE 54 -4.287 6.925 -6.929 417 HE1 PHE 54 1HE PHE 54 -2.253 5.126 -2.835 418 HE2 PHE 54 2HE PHE 54 -5.225 4.908 -5.882 419 HZ PHE 54 HZ PHE 54 -4.206 4.007 -3.832 420 H GLU 55 H GLU 55 -1.289 8.816 -8.988 421 HA GLU 55 HA GLU 55 0.714 10.852 -9.305 422 HB2 GLU 55 2HB GLU 55 -0.092 9.354 -11.170 423 HB3 GLU 55 1HB GLU 55 -1.616 10.232 -11.134 424 HG2 GLU 55 2HG GLU 55 -0.489 11.280 -12.841 425 HG3 GLU 55 1HG GLU 55 -0.135 12.325 -11.467 426 H LEU 56 H LEU 56 -2.663 10.639 -8.558 427 HA LEU 56 HA LEU 56 -2.833 13.584 -8.406 428 HB2 LEU 56 2HB LEU 56 -4.995 11.521 -8.809 429 HB3 LEU 56 1HB LEU 56 -5.292 13.237 -8.598 430 HG LEU 56 HG LEU 56 -3.728 12.011 -10.871 431 HD11 LEU 56 1HD1 LEU 56 -5.761 12.837 -12.180 432 HD12 LEU 56 2HD1 LEU 56 -6.587 12.884 -10.623 433 HD13 LEU 56 3HD1 LEU 56 -5.943 11.361 -11.233 434 HD21 LEU 56 3HD2 LEU 56 -2.946 14.216 -10.512 435 HD22 LEU 56 1HD2 LEU 56 -4.579 14.828 -10.247 436 HD23 LEU 56 2HD2 LEU 56 -4.083 14.306 -11.857 437 H ALA 57 H ALA 57 -2.987 14.430 -6.420 438 HA ALA 57 HA ALA 57 -2.926 12.891 -4.086 439 HB1 ALA 57 1HB ALA 57 -2.432 15.476 -4.626 440 HB2 ALA 57 2HB ALA 57 -2.662 14.847 -2.995 441 HB3 ALA 57 3HB ALA 57 -4.001 15.627 -3.837 442 H GLU 58 H GLU 58 -5.621 14.354 -5.809 443 HA GLU 58 HA GLU 58 -7.564 13.857 -3.783 444 HB2 GLU 58 2HB GLU 58 -8.094 14.175 -6.740 445 HB3 GLU 58 1HB GLU 58 -9.200 14.500 -5.411 446 HG2 GLU 58 2HG GLU 58 -6.638 16.017 -5.802 447 HG3 GLU 58 1HG GLU 58 -8.164 16.503 -6.537 448 H ASP 59 H ASP 59 -6.274 12.041 -6.466 449 HA ASP 59 HA ASP 59 -8.239 10.049 -6.664 450 HB2 ASP 59 2HB ASP 59 -5.436 10.377 -7.524 451 HB3 ASP 59 1HB ASP 59 -5.978 8.719 -7.360 452 H ALA 60 H ALA 60 -5.418 10.361 -4.568 453 HA ALA 60 HA ALA 60 -5.368 7.772 -3.524 454 HB1 ALA 60 1HB ALA 60 -3.590 8.639 -2.519 455 HB2 ALA 60 2HB ALA 60 -4.645 9.566 -1.453 456 HB3 ALA 60 3HB ALA 60 -4.101 10.262 -2.978 457 H ALA 61 H ALA 61 -7.224 10.612 -2.547 458 HA ALA 61 HA ALA 61 -8.328 9.684 -0.177 459 HB1 ALA 61 1HB ALA 61 -8.774 11.848 -1.937 460 HB2 ALA 61 2HB ALA 61 -9.341 11.659 -0.279 461 HB3 ALA 61 3HB ALA 61 -10.341 11.106 -1.621 462 H ALA 62 H ALA 62 -9.148 8.961 -3.485 463 HA ALA 62 HA ALA 62 -11.587 7.601 -2.960 464 HB1 ALA 62 1HB ALA 62 -9.716 7.328 -5.314 465 HB2 ALA 62 2HB ALA 62 -11.050 8.471 -5.186 466 HB3 ALA 62 3HB ALA 62 -11.375 6.739 -5.239 467 H ALA 63 H ALA 63 -8.226 6.572 -3.414 468 HA ALA 63 HA ALA 63 -8.687 3.797 -3.096 469 HB1 ALA 63 1HB ALA 63 -6.116 4.398 -2.097 470 HB2 ALA 63 2HB ALA 63 -6.427 5.525 -3.417 471 HB3 ALA 63 3HB ALA 63 -6.541 3.788 -3.695 472 H ILE 64 H ILE 64 -8.152 6.466 -0.939 473 HA ILE 64 HA ILE 64 -7.777 5.051 1.480 474 HB ILE 64 HB ILE 64 -8.780 7.828 0.866 475 HG12 ILE 64 2HG1 ILE 64 -6.110 6.931 1.968 476 HG13 ILE 64 1HG1 ILE 64 -6.429 7.241 0.268 477 HG21 ILE 64 1HG2 ILE 64 -8.965 6.444 3.348 478 HG22 ILE 64 2HG2 ILE 64 -9.348 8.127 3.000 479 HG23 ILE 64 3HG2 ILE 64 -7.723 7.681 3.512 480 HD11 ILE 64 3HD1 ILE 64 -6.267 9.446 0.522 481 HD12 ILE 64 1HD1 ILE 64 -5.483 9.062 2.054 482 HD13 ILE 64 2HD1 ILE 64 -7.206 9.436 2.013 483 H ASP 65 H ASP 65 -10.617 6.705 0.111 484 HA ASP 65 HA ASP 65 -12.377 5.726 2.140 485 HB2 ASP 65 2HB ASP 65 -12.653 7.373 -0.332 486 HB3 ASP 65 1HB ASP 65 -14.105 6.654 0.363 487 H ASN 66 H ASN 66 -11.131 4.357 -0.703 488 HA ASN 66 HA ASN 66 -13.469 2.610 -1.030 489 HB2 ASN 66 2HB ASN 66 -12.251 3.799 -2.991 490 HB3 ASN 66 1HB ASN 66 -11.058 2.512 -2.817 491 HD21 ASN 66 1HD2 ASN 66 -13.674 3.424 -4.504 492 HD22 ASN 66 2HD2 ASN 66 -14.306 1.880 -4.955 493 H MET 67 H MET 67 -10.117 2.515 0.013 494 HA MET 67 HA MET 67 -10.326 -0.405 0.272 495 HB2 MET 67 2HB MET 67 -8.188 1.313 -0.496 496 HB3 MET 67 1HB MET 67 -7.720 0.480 0.977 497 HG2 MET 67 2HG MET 67 -7.032 -0.705 -1.063 498 HG3 MET 67 1HG MET 67 -8.107 -1.659 -0.043 499 HE1 MET 67 3HE MET 67 -10.542 -2.934 -2.446 500 HE2 MET 67 1HE MET 67 -10.572 -2.417 -0.760 501 HE3 MET 67 2HE MET 67 -9.185 -3.310 -1.384 502 H ASN 68 H ASN 68 -10.318 2.472 2.167 503 HA ASN 68 HA ASN 68 -9.225 1.626 4.560 504 HB2 ASN 68 2HB ASN 68 -10.796 3.221 5.667 505 HB3 ASN 68 1HB ASN 68 -9.934 3.917 4.302 506 HD21 ASN 68 1HD2 ASN 68 -12.483 4.641 5.579 507 HD22 ASN 68 2HD2 ASN 68 -13.655 4.636 4.312 508 H GLU 69 H GLU 69 -9.623 -0.163 5.655 509 HA GLU 69 HA GLU 69 -10.700 -1.852 6.725 510 HB2 GLU 69 2HB GLU 69 -12.608 0.377 6.781 511 HB3 GLU 69 1HB GLU 69 -13.373 -1.198 6.919 512 HG2 GLU 69 2HG GLU 69 -12.847 -1.253 9.059 513 HG3 GLU 69 1HG GLU 69 -11.136 -1.222 8.634 514 H SER 70 H SER 70 -10.292 -2.210 4.054 515 HA SER 70 HA SER 70 -12.784 -3.414 3.059 516 HB2 SER 70 2HB SER 70 -11.188 -1.721 1.721 517 HB3 SER 70 1HB SER 70 -10.395 -3.237 1.296 518 HG SER 70 HG SER 70 -12.947 -2.309 0.649 519 H GLU 71 H GLU 71 -11.777 -5.256 1.294 520 HA GLU 71 HA GLU 71 -10.223 -7.105 2.985 521 HB2 GLU 71 2HB GLU 71 -12.750 -7.560 2.831 522 HB3 GLU 71 1HB GLU 71 -12.438 -8.024 1.163 523 HG2 GLU 71 2HG GLU 71 -10.682 -9.284 3.148 524 HG3 GLU 71 1HG GLU 71 -12.388 -9.713 3.274 525 H LEU 72 H LEU 72 -8.480 -7.935 2.023 526 HA LEU 72 HA LEU 72 -8.433 -8.181 -0.899 527 HB2 LEU 72 2HB LEU 72 -7.326 -6.015 0.035 528 HB3 LEU 72 1HB LEU 72 -6.038 -7.092 0.535 529 HG LEU 72 HG LEU 72 -5.783 -7.816 -1.836 530 HD11 LEU 72 1HD1 LEU 72 -6.801 -6.385 -3.571 531 HD12 LEU 72 2HD1 LEU 72 -7.768 -5.602 -2.324 532 HD13 LEU 72 3HD1 LEU 72 -7.990 -7.318 -2.666 533 HD21 LEU 72 3HD2 LEU 72 -4.408 -6.026 -0.778 534 HD22 LEU 72 1HD2 LEU 72 -5.519 -4.839 -1.458 535 HD23 LEU 72 2HD2 LEU 72 -4.570 -5.871 -2.526 536 H PHE 73 H PHE 73 -7.775 -10.166 -1.462 537 HA PHE 73 HA PHE 73 -6.866 -12.253 -1.341 538 HB2 PHE 73 2HB PHE 73 -4.831 -10.994 0.513 539 HB3 PHE 73 1HB PHE 73 -4.638 -12.473 -0.419 540 HD1 PHE 73 1HD PHE 73 -4.873 -12.174 -3.030 541 HD2 PHE 73 2HD PHE 73 -3.961 -9.038 -0.309 542 HE1 PHE 73 1HE PHE 73 -3.874 -10.889 -4.861 543 HE2 PHE 73 2HE PHE 73 -2.959 -7.739 -2.140 544 HZ PHE 73 HZ PHE 73 -2.919 -8.674 -4.411 545 H GLY 74 H GLY 74 -8.948 -11.543 0.451 546 HA2 GLY 74 2HA GLY 74 -10.091 -12.543 2.179 547 HA3 GLY 74 1HA GLY 74 -8.783 -13.711 2.298 548 H ARG 75 H ARG 75 -7.574 -10.570 2.478 549 HA ARG 75 HA ARG 75 -7.579 -10.681 5.411 550 HB2 ARG 75 2HB ARG 75 -5.409 -9.456 3.716 551 HB3 ARG 75 1HB ARG 75 -5.357 -9.828 5.434 552 HG2 ARG 75 2HG ARG 75 -5.930 -12.236 4.068 553 HG3 ARG 75 1HG ARG 75 -4.590 -11.452 3.229 554 HD2 ARG 75 2HD ARG 75 -3.234 -11.482 5.111 555 HD3 ARG 75 1HD ARG 75 -4.597 -11.681 6.208 556 HE ARG 75 HE ARG 75 -3.230 -13.762 4.713 557 HH11 ARG 75 1HH1 ARG 75 -5.994 -12.891 6.666 558 HH12 ARG 75 2HH1 ARG 75 -6.353 -14.526 7.102 559 HH21 ARG 75 1HH2 ARG 75 -3.712 -15.909 5.281 560 HH22 ARG 75 2HH2 ARG 75 -5.062 -16.240 6.315 561 H THR 76 H THR 76 -8.114 -8.909 6.529 562 HA THR 76 HA THR 76 -9.365 -6.744 5.129 563 HB THR 76 HB THR 76 -8.805 -6.898 8.096 564 HG1 THR 76 1HG THR 76 -10.475 -8.433 6.564 565 HG21 THR 76 3HG2 THR 76 -9.661 -4.770 7.546 566 HG22 THR 76 1HG2 THR 76 -11.004 -5.701 8.211 567 HG23 THR 76 2HG2 THR 76 -10.875 -5.459 6.468 568 H ILE 77 H ILE 77 -8.331 -5.021 4.383 569 HA ILE 77 HA ILE 77 -5.782 -4.273 5.621 570 HB ILE 77 HB ILE 77 -5.224 -3.174 3.486 571 HG12 ILE 77 2HG1 ILE 77 -7.545 -4.653 2.270 572 HG13 ILE 77 1HG1 ILE 77 -7.704 -2.985 2.818 573 HG21 ILE 77 1HG2 ILE 77 -5.906 -6.033 2.921 574 HG22 ILE 77 2HG2 ILE 77 -4.701 -5.599 4.128 575 HG23 ILE 77 3HG2 ILE 77 -4.475 -5.115 2.453 576 HD11 ILE 77 3HD1 ILE 77 -6.615 -2.185 1.047 577 HD12 ILE 77 1HD1 ILE 77 -6.921 -3.765 0.327 578 HD13 ILE 77 2HD1 ILE 77 -5.380 -3.438 1.118 579 H ARG 78 H ARG 78 -5.266 -2.077 5.799 580 HA ARG 78 HA ARG 78 -7.550 -0.223 5.768 581 HB2 ARG 78 2HB ARG 78 -6.813 -1.142 8.077 582 HB3 ARG 78 1HB ARG 78 -5.409 -0.103 7.874 583 HG2 ARG 78 2HG ARG 78 -7.831 1.353 7.326 584 HG3 ARG 78 1HG ARG 78 -7.902 0.589 8.915 585 HD2 ARG 78 2HD ARG 78 -5.456 2.087 8.070 586 HD3 ARG 78 1HD ARG 78 -6.866 2.961 8.673 587 HE ARG 78 HE ARG 78 -6.530 1.177 10.606 588 HH11 ARG 78 1HH1 ARG 78 -4.162 3.159 8.970 589 HH12 ARG 78 2HH1 ARG 78 -3.104 3.235 10.337 590 HH21 ARG 78 1HH2 ARG 78 -5.138 1.281 12.400 591 HH22 ARG 78 2HH2 ARG 78 -3.658 2.173 12.285 592 H VAL 79 H VAL 79 -7.143 1.746 4.881 593 HA VAL 79 HA VAL 79 -4.347 2.318 4.154 594 HB VAL 79 HB VAL 79 -6.860 2.978 2.611 595 HG11 VAL 79 1HG1 VAL 79 -4.979 4.692 2.475 596 HG12 VAL 79 2HG1 VAL 79 -5.535 4.005 0.954 597 HG13 VAL 79 3HG1 VAL 79 -4.034 3.435 1.679 598 HG21 VAL 79 3HG2 VAL 79 -6.320 0.656 2.426 599 HG22 VAL 79 1HG2 VAL 79 -4.621 1.018 2.125 600 HG23 VAL 79 2HG2 VAL 79 -5.840 1.445 0.923 601 H ASN 80 H ASN 80 -3.652 4.502 4.129 602 HA ASN 80 HA ASN 80 -5.380 6.578 5.132 603 HB2 ASN 80 2HB ASN 80 -4.515 5.254 7.158 604 HB3 ASN 80 1HB ASN 80 -2.942 5.949 6.778 605 HD21 ASN 80 1HD2 ASN 80 -6.308 7.075 7.010 606 HD22 ASN 80 2HD2 ASN 80 -5.947 8.475 7.957 607 H LEU 81 H LEU 81 -4.381 8.692 5.100 608 HA LEU 81 HA LEU 81 -2.513 8.942 2.925 609 HB2 LEU 81 2HB LEU 81 -2.861 11.320 3.131 610 HB3 LEU 81 1HB LEU 81 -4.403 10.490 3.199 611 HG LEU 81 HG LEU 81 -3.658 10.719 5.869 612 HD11 LEU 81 1HD1 LEU 81 -1.948 12.400 4.773 613 HD12 LEU 81 2HD1 LEU 81 -2.759 12.770 6.295 614 HD13 LEU 81 3HD1 LEU 81 -3.350 13.470 4.788 615 HD21 LEU 81 3HD2 LEU 81 -5.660 11.753 6.073 616 HD22 LEU 81 1HD2 LEU 81 -5.856 11.188 4.414 617 HD23 LEU 81 2HD2 LEU 81 -5.358 12.850 4.725 618 H ALA 82 H ALA 82 -0.478 10.003 3.001 619 HA ALA 82 HA ALA 82 0.878 9.692 5.589 620 HB1 ALA 82 1HB ALA 82 2.595 10.175 3.284 621 HB2 ALA 82 2HB ALA 82 1.568 8.754 3.100 622 HB3 ALA 82 3HB ALA 82 2.646 8.888 4.487 623 H LYS 83 H LYS 83 3.121 11.257 5.100 624 HA LYS 83 HA LYS 83 2.228 13.947 4.485 625 HB2 LYS 83 2HB LYS 83 3.162 14.747 6.737 626 HB3 LYS 83 1HB LYS 83 1.568 14.008 6.731 627 HG2 LYS 83 2HG LYS 83 2.229 12.533 8.236 628 HG3 LYS 83 1HG LYS 83 3.477 11.946 7.137 629 HD2 LYS 83 2HD LYS 83 5.110 12.974 8.273 630 HD3 LYS 83 1HD LYS 83 4.184 14.470 8.423 631 HE2 LYS 83 2HE LYS 83 2.817 13.161 10.187 632 HE3 LYS 83 1HE LYS 83 4.198 12.065 10.210 633 HZ1 LYS 83 3HZ LYS 83 4.313 14.987 10.733 634 HZ2 LYS 83 1HZ LYS 83 5.623 13.919 10.789 635 HZ3 LYS 83 2HZ LYS 83 4.369 13.778 11.914 Start of MODEL 5 1 H1 GLY -2 1HT GLY -2 7.812 20.749 4.703 2 H2 GLY -2 2HT GLY -2 7.205 22.326 4.772 3 H3 GLY -2 3HT GLY -2 7.939 21.764 3.354 4 HA2 GLY -2 1HA GLY -2 6.083 19.949 3.479 5 HA3 GLY -2 2HA GLY -2 5.276 21.177 4.441 6 H SER -1 H SER -1 5.557 19.977 1.401 7 HA SER -1 HA SER -1 4.271 22.303 0.253 8 HB2 SER -1 2HB SER -1 7.060 21.835 -0.183 9 HB3 SER -1 1HB SER -1 6.206 21.548 -1.701 10 HG SER -1 HG SER -1 5.768 23.851 -0.119 11 H THR 3 H THR 3 3.638 21.796 -2.115 12 HA THR 3 HA THR 3 2.438 20.488 -3.536 13 HB THR 3 HB THR 3 3.999 18.098 -2.602 14 HG1 THR 3 1HG THR 3 5.502 19.787 -2.775 15 HG21 THR 3 3HG2 THR 3 3.632 18.897 -5.441 16 HG22 THR 3 1HG2 THR 3 2.289 18.152 -4.578 17 HG23 THR 3 2HG2 THR 3 3.820 17.293 -4.731 18 H THR 4 H THR 4 0.807 18.806 -3.663 19 HA THR 4 HA THR 4 -0.712 18.635 -1.268 20 HB THR 4 HB THR 4 -2.249 17.244 -2.670 21 HG1 THR 4 1HG THR 4 -1.484 17.471 -5.035 22 HG21 THR 4 3HG2 THR 4 -2.124 19.839 -2.698 23 HG22 THR 4 1HG2 THR 4 -3.086 18.988 -3.904 24 HG23 THR 4 2HG2 THR 4 -1.487 19.600 -4.326 25 H LYS 5 H LYS 5 -1.817 16.297 -0.959 26 HA LYS 5 HA LYS 5 0.411 14.478 -0.341 27 HB2 LYS 5 2HB LYS 5 -1.809 15.445 1.197 28 HB3 LYS 5 1HB LYS 5 -1.934 13.698 1.049 29 HG2 LYS 5 2HG LYS 5 -0.719 14.205 3.033 30 HG3 LYS 5 1HG LYS 5 0.402 13.516 1.860 31 HD2 LYS 5 2HD LYS 5 1.705 15.293 2.180 32 HD3 LYS 5 1HD LYS 5 0.469 16.263 1.381 33 HE2 LYS 5 2HE LYS 5 -0.033 17.304 3.279 34 HE3 LYS 5 1HE LYS 5 -0.242 15.775 4.131 35 HZ1 LYS 5 3HZ LYS 5 2.307 15.762 4.192 36 HZ2 LYS 5 1HZ LYS 5 1.485 16.790 5.256 37 HZ3 LYS 5 2HZ LYS 5 2.189 17.414 3.852 38 H ARG 6 H ARG 6 0.537 12.616 -1.383 39 HA ARG 6 HA ARG 6 -1.899 11.384 -2.457 40 HB2 ARG 6 2HB ARG 6 -0.603 10.820 -4.553 41 HB3 ARG 6 1HB ARG 6 -1.061 12.506 -4.369 42 HG2 ARG 6 2HG ARG 6 1.359 12.608 -3.246 43 HG3 ARG 6 1HG ARG 6 1.613 11.252 -4.345 44 HD2 ARG 6 2HD ARG 6 0.532 12.799 -6.113 45 HD3 ARG 6 1HD ARG 6 0.907 14.093 -4.975 46 HE ARG 6 HE ARG 6 3.134 12.371 -5.566 47 HH11 ARG 6 1HH1 ARG 6 1.367 15.215 -6.542 48 HH12 ARG 6 2HH1 ARG 6 2.707 15.910 -7.389 49 HH21 ARG 6 1HH2 ARG 6 4.901 13.288 -6.666 50 HH22 ARG 6 2HH2 ARG 6 4.716 14.818 -7.457 51 H VAL 7 H VAL 7 0.645 10.996 -0.478 52 HA VAL 7 HA VAL 7 1.201 8.234 -1.233 53 HB VAL 7 HB VAL 7 2.751 8.477 0.891 54 HG11 VAL 7 1HG1 VAL 7 3.211 8.302 -1.711 55 HG12 VAL 7 2HG1 VAL 7 4.499 8.605 -0.549 56 HG13 VAL 7 3HG1 VAL 7 3.803 9.945 -1.459 57 HG21 VAL 7 3HG2 VAL 7 1.718 10.894 1.124 58 HG22 VAL 7 1HG2 VAL 7 2.999 11.293 -0.026 59 HG23 VAL 7 2HG2 VAL 7 3.401 10.564 1.531 60 H LEU 8 H LEU 8 0.100 6.638 -0.338 61 HA LEU 8 HA LEU 8 -1.202 7.087 2.270 62 HB2 LEU 8 2HB LEU 8 -2.141 4.930 0.456 63 HB3 LEU 8 1HB LEU 8 -3.051 5.923 1.577 64 HG LEU 8 HG LEU 8 -2.021 6.829 -1.113 65 HD11 LEU 8 1HD1 LEU 8 -4.649 5.762 -0.177 66 HD12 LEU 8 2HD1 LEU 8 -3.753 5.403 -1.654 67 HD13 LEU 8 3HD1 LEU 8 -4.591 6.945 -1.483 68 HD21 LEU 8 3HD2 LEU 8 -2.222 8.855 -0.162 69 HD22 LEU 8 1HD2 LEU 8 -3.173 8.238 1.188 70 HD23 LEU 8 2HD2 LEU 8 -3.955 8.588 -0.353 71 H TYR 9 H TYR 9 -1.404 5.200 3.674 72 HA TYR 9 HA TYR 9 0.777 3.257 3.222 73 HB2 TYR 9 2HB TYR 9 1.408 4.583 5.102 74 HB3 TYR 9 1HB TYR 9 -0.202 4.475 5.805 75 HD1 TYR 9 1HD TYR 9 2.725 2.358 4.866 76 HD2 TYR 9 2HD TYR 9 -0.665 2.835 7.390 77 HE1 TYR 9 1HE TYR 9 3.419 0.384 6.160 78 HE2 TYR 9 2HE TYR 9 0.018 0.866 8.693 79 HH TYR 9 HH TYR 9 2.111 -0.403 9.165 80 H VAL 10 H VAL 10 0.343 1.113 3.420 81 HA VAL 10 HA VAL 10 -2.473 0.409 3.908 82 HB VAL 10 HB VAL 10 -0.425 -1.310 2.532 83 HG11 VAL 10 1HG1 VAL 10 -2.685 -2.207 1.563 84 HG12 VAL 10 2HG1 VAL 10 -3.367 -1.464 3.011 85 HG13 VAL 10 3HG1 VAL 10 -2.132 -2.714 3.156 86 HG21 VAL 10 3HG2 VAL 10 -0.581 0.635 1.175 87 HG22 VAL 10 1HG2 VAL 10 -2.332 0.690 1.342 88 HG23 VAL 10 2HG2 VAL 10 -1.579 -0.603 0.413 89 H GLY 11 H GLY 11 -2.947 -0.657 5.706 90 HA2 GLY 11 2HA GLY 11 -0.781 -2.164 7.026 91 HA3 GLY 11 1HA GLY 11 -1.995 -1.251 7.913 92 H GLY 12 H GLY 12 -1.133 -4.293 6.825 93 HA2 GLY 12 2HA GLY 12 -2.498 -6.121 7.801 94 HA3 GLY 12 1HA GLY 12 -3.902 -5.294 7.123 95 H LEU 13 H LEU 13 -0.690 -6.276 5.969 96 HA LEU 13 HA LEU 13 -1.975 -7.272 3.540 97 HB2 LEU 13 2HB LEU 13 0.680 -6.038 4.079 98 HB3 LEU 13 1HB LEU 13 0.402 -6.931 2.621 99 HG LEU 13 HG LEU 13 -1.023 -4.435 3.501 100 HD11 LEU 13 1HD1 LEU 13 0.558 -3.301 2.451 101 HD12 LEU 13 2HD1 LEU 13 0.280 -4.224 0.974 102 HD13 LEU 13 3HD1 LEU 13 1.434 -4.807 2.173 103 HD21 LEU 13 3HD2 LEU 13 -1.379 -5.288 0.738 104 HD22 LEU 13 1HD2 LEU 13 -2.562 -4.707 1.907 105 HD23 LEU 13 2HD2 LEU 13 -2.084 -6.403 1.904 106 H ALA 14 H ALA 14 -1.114 -9.083 2.494 107 HA ALA 14 HA ALA 14 0.330 -10.976 4.237 108 HB1 ALA 14 1HB ALA 14 -0.721 -12.730 2.721 109 HB2 ALA 14 2HB ALA 14 -1.775 -11.442 2.137 110 HB3 ALA 14 3HB ALA 14 -1.803 -11.903 3.840 111 H GLU 15 H GLU 15 1.601 -12.645 2.894 112 HA GLU 15 HA GLU 15 3.587 -11.360 1.436 113 HB2 GLU 15 2HB GLU 15 4.166 -13.684 0.611 114 HB3 GLU 15 1HB GLU 15 4.129 -13.459 2.354 115 HG2 GLU 15 2HG GLU 15 2.631 -15.067 2.578 116 HG3 GLU 15 1HG GLU 15 1.541 -14.267 1.447 117 H GLU 16 H GLU 16 0.523 -12.503 0.423 118 HA GLU 16 HA GLU 16 1.023 -12.871 -2.324 119 HB2 GLU 16 2HB GLU 16 -1.672 -11.961 -1.479 120 HB3 GLU 16 1HB GLU 16 -1.212 -13.290 -2.529 121 HG2 GLU 16 2HG GLU 16 -0.288 -14.287 -0.263 122 HG3 GLU 16 1HG GLU 16 -1.502 -13.204 0.424 123 H VAL 17 H VAL 17 0.035 -9.986 -0.502 124 HA VAL 17 HA VAL 17 -0.454 -8.435 -2.836 125 HB VAL 17 HB VAL 17 -1.542 -7.882 -0.705 126 HG11 VAL 17 1HG1 VAL 17 -0.420 -7.747 1.196 127 HG12 VAL 17 2HG1 VAL 17 0.588 -6.444 0.555 128 HG13 VAL 17 3HG1 VAL 17 1.064 -8.126 0.324 129 HG21 VAL 17 3HG2 VAL 17 -0.658 -6.168 -2.589 130 HG22 VAL 17 1HG2 VAL 17 0.093 -5.467 -1.159 131 HG23 VAL 17 2HG2 VAL 17 -1.658 -5.684 -1.226 132 H ASP 18 H ASP 18 0.745 -6.945 -3.784 133 HA ASP 18 HA ASP 18 3.394 -6.255 -2.864 134 HB2 ASP 18 2HB ASP 18 2.992 -8.371 -4.780 135 HB3 ASP 18 1HB ASP 18 3.847 -7.035 -5.544 136 H ASP 19 H ASP 19 4.442 -5.117 -5.047 137 HA ASP 19 HA ASP 19 2.982 -2.720 -5.313 138 HB2 ASP 19 2HB ASP 19 5.474 -2.944 -5.465 139 HB3 ASP 19 1HB ASP 19 5.266 -3.705 -7.040 140 H LYS 20 H LYS 20 3.178 -5.626 -7.187 141 HA LYS 20 HA LYS 20 2.119 -4.699 -9.622 142 HB2 LYS 20 2HB LYS 20 1.956 -6.992 -10.214 143 HB3 LYS 20 1HB LYS 20 3.379 -6.836 -9.194 144 HG2 LYS 20 2HG LYS 20 2.043 -7.661 -7.282 145 HG3 LYS 20 1HG LYS 20 0.692 -7.921 -8.386 146 HD2 LYS 20 2HD LYS 20 3.251 -9.117 -9.219 147 HD3 LYS 20 1HD LYS 20 2.534 -9.800 -7.759 148 HE2 LYS 20 2HE LYS 20 0.554 -10.397 -8.889 149 HE3 LYS 20 1HE LYS 20 0.960 -9.404 -10.288 150 HZ1 LYS 20 3HZ LYS 20 2.683 -11.667 -9.503 151 HZ2 LYS 20 1HZ LYS 20 2.526 -10.924 -11.015 152 HZ3 LYS 20 2HZ LYS 20 1.294 -11.926 -10.434 153 H VAL 21 H VAL 21 0.579 -6.343 -6.892 154 HA VAL 21 HA VAL 21 -2.020 -6.297 -8.064 155 HB VAL 21 HB VAL 21 -1.069 -7.831 -6.177 156 HG11 VAL 21 1HG1 VAL 21 -0.614 -5.964 -4.641 157 HG12 VAL 21 2HG1 VAL 21 -1.650 -7.210 -3.951 158 HG13 VAL 21 3HG1 VAL 21 -2.353 -5.693 -4.508 159 HG21 VAL 21 3HG2 VAL 21 -3.112 -8.652 -6.498 160 HG22 VAL 21 1HG2 VAL 21 -3.718 -7.070 -6.985 161 HG23 VAL 21 2HG2 VAL 21 -3.713 -7.525 -5.281 162 H LEU 22 H LEU 22 -0.358 -4.362 -5.645 163 HA LEU 22 HA LEU 22 -2.508 -2.695 -4.960 164 HB2 LEU 22 2HB LEU 22 0.476 -2.254 -4.938 165 HB3 LEU 22 1HB LEU 22 -0.656 -1.045 -4.353 166 HG LEU 22 HG LEU 22 -1.029 -3.722 -3.206 167 HD11 LEU 22 1HD1 LEU 22 1.059 -4.129 -2.562 168 HD12 LEU 22 2HD1 LEU 22 1.046 -2.625 -1.647 169 HD13 LEU 22 3HD1 LEU 22 1.620 -2.635 -3.314 170 HD21 LEU 22 3HD2 LEU 22 -2.153 -2.467 -1.779 171 HD22 LEU 22 1HD2 LEU 22 -1.552 -0.993 -2.540 172 HD23 LEU 22 2HD2 LEU 22 -0.633 -1.751 -1.235 173 H HIS 23 H HIS 23 -0.174 -2.641 -7.572 174 HA HIS 23 HA HIS 23 -0.738 -0.100 -8.613 175 HB2 HIS 23 2HB HIS 23 0.861 -2.288 -9.302 176 HB3 HIS 23 1HB HIS 23 -0.228 -2.092 -10.665 177 HD1 HIS 23 1HD HIS 23 -0.043 0.104 -12.033 178 HD2 HIS 23 2HD HIS 23 2.761 -0.259 -8.998 179 HE1 HIS 23 1HE HIS 23 1.686 1.863 -12.503 180 HE2 HIS 23 2HE HIS 23 3.383 1.620 -10.657 181 H ALA 24 H ALA 24 -1.978 -3.272 -9.580 182 HA ALA 24 HA ALA 24 -3.939 -2.298 -11.361 183 HB1 ALA 24 1HB ALA 24 -4.213 -4.972 -10.087 184 HB2 ALA 24 2HB ALA 24 -2.834 -4.651 -11.138 185 HB3 ALA 24 3HB ALA 24 -4.475 -4.486 -11.762 186 H ALA 25 H ALA 25 -4.155 -3.381 -7.982 187 HA ALA 25 HA ALA 25 -6.982 -3.191 -7.842 188 HB1 ALA 25 1HB ALA 25 -5.143 -4.365 -6.286 189 HB2 ALA 25 2HB ALA 25 -6.789 -4.009 -5.759 190 HB3 ALA 25 3HB ALA 25 -5.473 -2.914 -5.335 191 H PHE 26 H PHE 26 -4.404 -0.911 -7.214 192 HA PHE 26 HA PHE 26 -6.346 0.976 -6.136 193 HB2 PHE 26 2HB PHE 26 -3.340 1.107 -6.249 194 HB3 PHE 26 1HB PHE 26 -4.366 2.344 -5.545 195 HD1 PHE 26 2HD PHE 26 -4.011 -1.395 -5.301 196 HD2 PHE 26 1HD PHE 26 -4.516 2.326 -3.275 197 HE1 PHE 26 2HE PHE 26 -3.971 -2.562 -3.143 198 HE2 PHE 26 1HE PHE 26 -4.478 1.154 -1.114 199 HZ PHE 26 HZ PHE 26 -4.208 -1.291 -1.047 200 H ILE 27 H ILE 27 -4.899 0.271 -9.124 201 HA ILE 27 HA ILE 27 -4.571 2.864 -10.172 202 HB ILE 27 HB ILE 27 -3.817 0.610 -11.188 203 HG12 ILE 27 2HG1 ILE 27 -4.240 1.782 -13.567 204 HG13 ILE 27 1HG1 ILE 27 -4.630 3.128 -12.500 205 HG21 ILE 27 1HG2 ILE 27 -5.326 0.014 -13.157 206 HG22 ILE 27 2HG2 ILE 27 -6.609 0.786 -12.235 207 HG23 ILE 27 3HG2 ILE 27 -5.752 -0.601 -11.564 208 HD11 ILE 27 3HD1 ILE 27 -2.350 3.338 -13.013 209 HD12 ILE 27 1HD1 ILE 27 -2.045 1.624 -12.716 210 HD13 ILE 27 2HD1 ILE 27 -2.421 2.701 -11.372 211 HA PRO 28 HA PRO 28 -9.217 2.342 -11.694 212 HB2 PRO 28 2HB PRO 28 -10.781 1.343 -9.647 213 HB3 PRO 28 1HB PRO 28 -10.248 0.405 -11.045 214 HG2 PRO 28 2HG PRO 28 -9.079 0.532 -8.296 215 HG3 PRO 28 1HG PRO 28 -9.342 -0.880 -9.337 216 HD2 PRO 28 2HD PRO 28 -6.924 0.192 -9.088 217 HD3 PRO 28 1HD PRO 28 -7.493 -0.401 -10.659 218 H PHE 29 H PHE 29 -8.507 2.590 -8.229 219 HA PHE 29 HA PHE 29 -10.208 4.822 -7.760 220 HB2 PHE 29 2HB PHE 29 -7.775 4.278 -6.083 221 HB3 PHE 29 1HB PHE 29 -9.365 4.839 -5.580 222 HD1 PHE 29 2HD PHE 29 -11.185 2.880 -6.650 223 HD2 PHE 29 1HD PHE 29 -7.313 2.316 -4.970 224 HE1 PHE 29 2HE PHE 29 -11.794 0.583 -6.013 225 HE2 PHE 29 1HE PHE 29 -7.917 0.030 -4.329 226 HZ PHE 29 HZ PHE 29 -10.161 -0.845 -4.847 227 H GLY 30 H GLY 30 -7.057 4.429 -9.094 228 HA2 GLY 30 2HA GLY 30 -6.760 6.882 -10.211 229 HA3 GLY 30 1HA GLY 30 -6.144 7.105 -8.584 230 H ASP 31 H ASP 31 -5.004 6.824 -11.480 231 HA ASP 31 HA ASP 31 -3.385 4.574 -11.554 232 HB2 ASP 31 2HB ASP 31 -2.505 7.202 -12.705 233 HB3 ASP 31 1HB ASP 31 -2.202 5.576 -13.307 234 H ILE 32 H ILE 32 -2.133 3.964 -9.992 235 HA ILE 32 HA ILE 32 -0.854 5.542 -8.079 236 HB ILE 32 HB ILE 32 -0.092 2.824 -9.142 237 HG12 ILE 32 2HG1 ILE 32 -1.318 2.575 -6.648 238 HG13 ILE 32 1HG1 ILE 32 -2.275 3.786 -7.500 239 HG21 ILE 32 1HG2 ILE 32 0.566 3.833 -6.398 240 HG22 ILE 32 2HG2 ILE 32 1.663 4.079 -7.759 241 HG23 ILE 32 3HG2 ILE 32 1.226 2.447 -7.264 242 HD11 ILE 32 3HD1 ILE 32 -2.239 0.962 -7.826 243 HD12 ILE 32 1HD1 ILE 32 -1.782 1.737 -9.340 244 HD13 ILE 32 2HD1 ILE 32 -3.295 2.166 -8.556 245 H THR 33 H THR 33 1.290 6.200 -7.847 246 HA THR 33 HA THR 33 2.822 6.408 -10.351 247 HB THR 33 HB THR 33 3.494 8.255 -8.207 248 HG1 THR 33 1HG THR 33 0.953 8.343 -9.444 249 HG21 THR 33 3HG2 THR 33 3.060 9.862 -10.229 250 HG22 THR 33 1HG2 THR 33 3.172 8.363 -11.149 251 HG23 THR 33 2HG2 THR 33 4.523 8.878 -10.138 252 H ASP 34 H ASP 34 2.915 5.698 -6.931 253 HA ASP 34 HA ASP 34 5.368 4.274 -7.361 254 HB2 ASP 34 2HB ASP 34 5.273 6.843 -5.905 255 HB3 ASP 34 1HB ASP 34 6.212 5.558 -5.154 256 H ILE 35 H ILE 35 5.786 2.691 -5.829 257 HA ILE 35 HA ILE 35 4.084 2.537 -3.473 258 HB ILE 35 HB ILE 35 4.318 0.182 -5.344 259 HG12 ILE 35 2HG1 ILE 35 1.982 2.049 -4.883 260 HG13 ILE 35 1HG1 ILE 35 2.926 1.916 -6.364 261 HG21 ILE 35 1HG2 ILE 35 2.674 0.630 -2.858 262 HG22 ILE 35 2HG2 ILE 35 4.080 -0.424 -3.008 263 HG23 ILE 35 3HG2 ILE 35 2.600 -0.798 -3.890 264 HD11 ILE 35 3HD1 ILE 35 1.697 -0.581 -5.399 265 HD12 ILE 35 1HD1 ILE 35 1.852 0.057 -7.035 266 HD13 ILE 35 2HD1 ILE 35 0.588 0.667 -5.967 267 H GLN 36 H GLN 36 5.396 2.214 -1.819 268 HA GLN 36 HA GLN 36 7.928 0.803 -2.301 269 HB2 GLN 36 2HB GLN 36 7.590 3.299 -1.317 270 HB3 GLN 36 1HB GLN 36 7.610 2.375 0.179 271 HG2 GLN 36 2HG GLN 36 9.760 1.405 -0.457 272 HG3 GLN 36 1HG GLN 36 9.742 2.352 -1.943 273 HE21 GLN 36 1HE2 GLN 36 11.290 3.814 -1.715 274 HE22 GLN 36 2HE2 GLN 36 11.481 4.878 -0.367 275 H ILE 37 H ILE 37 8.323 -1.051 -1.362 276 HA ILE 37 HA ILE 37 6.672 -1.883 0.938 277 HB ILE 37 HB ILE 37 7.917 -3.750 -1.082 278 HG12 ILE 37 2HG1 ILE 37 4.999 -3.000 -0.908 279 HG13 ILE 37 1HG1 ILE 37 6.115 -2.229 -2.031 280 HG21 ILE 37 1HG2 ILE 37 6.684 -5.461 -0.034 281 HG22 ILE 37 2HG2 ILE 37 5.688 -4.309 0.855 282 HG23 ILE 37 3HG2 ILE 37 7.387 -4.520 1.283 283 HD11 ILE 37 3HD1 ILE 37 5.079 -3.867 -3.304 284 HD12 ILE 37 1HD1 ILE 37 5.122 -5.048 -1.996 285 HD13 ILE 37 2HD1 ILE 37 6.608 -4.616 -2.845 286 HA PRO 38 HA PRO 38 10.879 -1.896 2.587 287 HB2 PRO 38 2HB PRO 38 10.256 -1.689 5.172 288 HB3 PRO 38 1HB PRO 38 10.074 -0.315 4.072 289 HG2 PRO 38 2HG PRO 38 7.996 -2.227 5.069 290 HG3 PRO 38 1HG PRO 38 7.917 -0.459 4.951 291 HD2 PRO 38 2HD PRO 38 6.828 -2.144 3.093 292 HD3 PRO 38 1HD PRO 38 7.405 -0.510 2.712 293 H LEU 39 H LEU 39 12.167 -3.465 3.274 294 HA LEU 39 HA LEU 39 10.957 -5.912 4.381 295 HB2 LEU 39 2HB LEU 39 13.345 -5.755 2.538 296 HB3 LEU 39 1HB LEU 39 12.633 -7.220 3.188 297 HG LEU 39 HG LEU 39 10.513 -5.988 1.890 298 HD11 LEU 39 1HD1 LEU 39 11.293 -5.434 -0.318 299 HD12 LEU 39 2HD1 LEU 39 12.958 -5.786 0.143 300 HD13 LEU 39 3HD1 LEU 39 12.113 -4.416 0.864 301 HD21 LEU 39 3HD2 LEU 39 10.556 -7.860 0.468 302 HD22 LEU 39 1HD2 LEU 39 11.260 -8.417 1.987 303 HD23 LEU 39 2HD2 LEU 39 12.305 -8.038 0.618 304 H ASP 40 H ASP 40 13.244 -7.291 5.032 305 HA ASP 40 HA ASP 40 14.275 -5.629 7.205 306 HB2 ASP 40 2HB ASP 40 14.278 -8.607 6.717 307 HB3 ASP 40 1HB ASP 40 15.179 -7.860 8.032 308 H TYR 41 H TYR 41 16.458 -5.265 7.555 309 HA TYR 41 HA TYR 41 18.142 -5.535 5.198 310 HB2 TYR 41 2HB TYR 41 19.775 -4.221 6.744 311 HB3 TYR 41 1HB TYR 41 18.369 -3.394 6.082 312 HD1 TYR 41 1HD TYR 41 18.587 -5.726 8.986 313 HD2 TYR 41 2HD TYR 41 17.845 -1.754 7.654 314 HE1 TYR 41 1HE TYR 41 17.887 -5.103 11.256 315 HE2 TYR 41 2HE TYR 41 17.147 -1.119 9.925 316 HH TYR 41 HH TYR 41 17.292 -3.425 12.618 317 H GLU 42 H GLU 42 17.557 -7.962 6.320 318 HA GLU 42 HA GLU 42 20.122 -9.089 6.723 319 HB2 GLU 42 2HB GLU 42 19.223 -8.042 9.035 320 HB3 GLU 42 1HB GLU 42 18.422 -9.606 9.107 321 HG2 GLU 42 2HG GLU 42 20.362 -10.091 10.192 322 HG3 GLU 42 1HG GLU 42 20.820 -10.504 8.541 323 H THR 43 H THR 43 16.653 -9.375 7.154 324 HA THR 43 HA THR 43 16.720 -12.190 6.351 325 HB THR 43 HB THR 43 14.695 -10.440 7.718 326 HG1 THR 43 1HG THR 43 14.729 -12.186 9.184 327 HG21 THR 43 3HG2 THR 43 13.442 -11.622 5.976 328 HG22 THR 43 1HG2 THR 43 13.023 -12.163 7.602 329 HG23 THR 43 2HG2 THR 43 14.072 -13.151 6.587 330 H GLU 44 H GLU 44 15.761 -9.008 5.327 331 HA GLU 44 HA GLU 44 15.020 -8.160 3.362 332 HB2 GLU 44 2HB GLU 44 15.706 -10.827 2.137 333 HB3 GLU 44 1HB GLU 44 15.610 -9.268 1.331 334 HG2 GLU 44 2HG GLU 44 17.642 -8.576 2.116 335 HG3 GLU 44 1HG GLU 44 17.557 -9.593 3.553 336 H LYS 45 H LYS 45 13.161 -9.643 5.099 337 HA LYS 45 HA LYS 45 11.130 -10.243 3.051 338 HB2 LYS 45 2HB LYS 45 11.492 -11.669 5.693 339 HB3 LYS 45 1HB LYS 45 10.150 -11.917 4.585 340 HG2 LYS 45 2HG LYS 45 11.737 -12.674 2.863 341 HG3 LYS 45 1HG LYS 45 13.052 -12.488 4.027 342 HD2 LYS 45 2HD LYS 45 11.851 -14.107 5.511 343 HD3 LYS 45 1HD LYS 45 10.712 -14.384 4.193 344 HE2 LYS 45 2HE LYS 45 13.069 -14.730 2.907 345 HE3 LYS 45 1HE LYS 45 13.492 -15.291 4.524 346 HZ1 LYS 45 3HZ LYS 45 12.505 -16.935 2.808 347 HZ2 LYS 45 1HZ LYS 45 11.021 -16.259 3.259 348 HZ3 LYS 45 2HZ LYS 45 11.997 -17.010 4.418 349 H HIS 46 H HIS 46 9.621 -8.741 3.090 350 HA HIS 46 HA HIS 46 9.229 -6.861 5.114 351 HB2 HIS 46 2HB HIS 46 7.108 -6.331 3.969 352 HB3 HIS 46 1HB HIS 46 8.449 -6.486 2.839 353 HD1 HIS 46 1HD HIS 46 5.247 -8.110 3.861 354 HD2 HIS 46 2HD HIS 46 8.264 -8.642 1.058 355 HE1 HIS 46 1HE HIS 46 4.351 -9.789 2.224 356 HE2 HIS 46 2HE HIS 46 6.240 -10.186 0.604 357 H ARG 47 H ARG 47 6.788 -6.608 5.959 358 HA ARG 47 HA ARG 47 6.230 -9.075 7.475 359 HB2 ARG 47 2HB ARG 47 6.651 -6.396 8.331 360 HB3 ARG 47 1HB ARG 47 4.963 -6.777 8.630 361 HG2 ARG 47 2HG ARG 47 7.301 -8.421 9.584 362 HG3 ARG 47 1HG ARG 47 6.419 -7.245 10.558 363 HD2 ARG 47 2HD ARG 47 4.416 -8.845 9.559 364 HD3 ARG 47 1HD ARG 47 5.728 -9.987 9.848 365 HE ARG 47 HE ARG 47 5.296 -9.786 12.072 366 HH11 ARG 47 1HH1 ARG 47 4.171 -6.893 10.485 367 HH12 ARG 47 2HH1 ARG 47 3.541 -6.187 11.935 368 HH21 ARG 47 1HH2 ARG 47 4.446 -8.868 13.984 369 HH22 ARG 47 2HH2 ARG 47 3.699 -7.307 13.919 370 H GLY 48 H GLY 48 4.828 -6.340 5.776 371 HA2 GLY 48 2HA GLY 48 2.946 -7.344 4.257 372 HA3 GLY 48 1HA GLY 48 2.178 -7.587 5.820 373 H PHE 49 H PHE 49 4.101 -4.899 4.485 374 HA PHE 49 HA PHE 49 1.741 -3.202 4.516 375 HB2 PHE 49 2HB PHE 49 4.142 -2.384 6.149 376 HB3 PHE 49 1HB PHE 49 2.565 -1.602 6.081 377 HD1 PHE 49 2HD PHE 49 0.567 -3.207 6.698 378 HD2 PHE 49 1HD PHE 49 4.590 -3.723 7.955 379 HE1 PHE 49 2HE PHE 49 -0.206 -4.603 8.554 380 HE2 PHE 49 1HE PHE 49 3.831 -5.123 9.824 381 HZ PHE 49 HZ PHE 49 1.424 -5.560 10.140 382 H ALA 50 H ALA 50 1.980 -1.244 3.390 383 HA ALA 50 HA ALA 50 4.524 -0.572 2.212 384 HB1 ALA 50 1HB ALA 50 2.539 -1.094 0.098 385 HB2 ALA 50 2HB ALA 50 3.240 -2.515 0.874 386 HB3 ALA 50 3HB ALA 50 4.287 -1.327 0.101 387 H PHE 51 H PHE 51 4.171 1.161 0.445 388 HA PHE 51 HA PHE 51 2.056 2.991 1.366 389 HB2 PHE 51 2HB PHE 51 4.909 3.516 0.565 390 HB3 PHE 51 1HB PHE 51 3.700 4.792 0.500 391 HD1 PHE 51 1HD PHE 51 5.064 2.237 2.851 392 HD2 PHE 51 2HD PHE 51 3.380 6.115 2.354 393 HE1 PHE 51 1HE PHE 51 5.435 2.698 5.241 394 HE2 PHE 51 2HE PHE 51 3.747 6.582 4.740 395 HZ PHE 51 HZ PHE 51 4.780 4.877 6.187 396 H VAL 52 H VAL 52 0.695 3.772 -0.149 397 HA VAL 52 HA VAL 52 1.275 3.105 -2.958 398 HB VAL 52 HB VAL 52 -1.463 3.832 -1.958 399 HG11 VAL 52 1HG1 VAL 52 -0.682 1.912 -4.132 400 HG12 VAL 52 2HG1 VAL 52 -0.845 3.646 -4.411 401 HG13 VAL 52 3HG1 VAL 52 -2.236 2.705 -3.872 402 HG21 VAL 52 3HG2 VAL 52 -0.150 1.767 -0.779 403 HG22 VAL 52 1HG2 VAL 52 -0.884 0.953 -2.159 404 HG23 VAL 52 2HG2 VAL 52 -1.894 1.831 -1.011 405 H GLU 53 H GLU 53 1.575 4.734 -4.380 406 HA GLU 53 HA GLU 53 0.831 7.446 -3.513 407 HB2 GLU 53 2HB GLU 53 3.186 7.388 -3.568 408 HB3 GLU 53 1HB GLU 53 3.215 6.419 -5.029 409 HG2 GLU 53 2HG GLU 53 3.262 8.202 -6.324 410 HG3 GLU 53 1HG GLU 53 1.916 8.960 -5.473 411 H PHE 54 H PHE 54 -0.341 8.685 -4.881 412 HA PHE 54 HA PHE 54 -1.170 7.425 -7.397 413 HB2 PHE 54 2HB PHE 54 -2.594 9.201 -5.437 414 HB3 PHE 54 1HB PHE 54 -3.157 9.052 -7.099 415 HD1 PHE 54 1HD PHE 54 -1.920 6.668 -4.497 416 HD2 PHE 54 2HD PHE 54 -4.950 7.679 -7.303 417 HE1 PHE 54 1HE PHE 54 -3.138 4.610 -3.916 418 HE2 PHE 54 2HE PHE 54 -6.176 5.624 -6.731 419 HZ PHE 54 HZ PHE 54 -5.265 4.090 -5.038 420 H GLU 55 H GLU 55 -1.578 8.778 -9.184 421 HA GLU 55 HA GLU 55 0.399 10.810 -9.553 422 HB2 GLU 55 2HB GLU 55 -0.597 9.174 -11.306 423 HB3 GLU 55 1HB GLU 55 -1.924 10.321 -11.404 424 HG2 GLU 55 2HG GLU 55 -0.750 11.734 -12.653 425 HG3 GLU 55 1HG GLU 55 0.668 11.607 -11.613 426 H LEU 56 H LEU 56 -2.955 10.633 -8.775 427 HA LEU 56 HA LEU 56 -3.147 13.570 -8.730 428 HB2 LEU 56 2HB LEU 56 -5.300 11.474 -8.974 429 HB3 LEU 56 1HB LEU 56 -5.599 13.199 -8.850 430 HG LEU 56 HG LEU 56 -4.052 11.899 -11.091 431 HD11 LEU 56 1HD1 LEU 56 -6.026 11.217 -11.859 432 HD12 LEU 56 2HD1 LEU 56 -6.410 12.918 -12.123 433 HD13 LEU 56 3HD1 LEU 56 -6.908 12.122 -10.631 434 HD21 LEU 56 3HD2 LEU 56 -3.343 14.037 -11.260 435 HD22 LEU 56 1HD2 LEU 56 -4.710 14.680 -10.347 436 HD23 LEU 56 2HD2 LEU 56 -4.903 14.261 -12.049 437 H ALA 57 H ALA 57 -3.139 14.439 -6.765 438 HA ALA 57 HA ALA 57 -3.039 12.991 -4.393 439 HB1 ALA 57 1HB ALA 57 -4.061 15.618 -3.884 440 HB2 ALA 57 2HB ALA 57 -2.842 15.686 -5.157 441 HB3 ALA 57 3HB ALA 57 -2.447 14.972 -3.594 442 H GLU 58 H GLU 58 -5.793 14.419 -6.061 443 HA GLU 58 HA GLU 58 -7.660 14.035 -3.957 444 HB2 GLU 58 2HB GLU 58 -7.719 15.420 -6.270 445 HB3 GLU 58 1HB GLU 58 -8.642 14.004 -6.753 446 HG2 GLU 58 2HG GLU 58 -10.421 14.968 -5.865 447 HG3 GLU 58 1HG GLU 58 -9.693 14.708 -4.281 448 H ASP 59 H ASP 59 -6.499 12.023 -6.561 449 HA ASP 59 HA ASP 59 -8.538 10.062 -6.445 450 HB2 ASP 59 2HB ASP 59 -5.736 10.057 -7.542 451 HB3 ASP 59 1HB ASP 59 -6.748 8.617 -7.575 452 H ALA 60 H ALA 60 -5.469 10.445 -4.769 453 HA ALA 60 HA ALA 60 -5.249 7.893 -3.673 454 HB1 ALA 60 1HB ALA 60 -3.831 10.260 -3.499 455 HB2 ALA 60 2HB ALA 60 -3.427 8.736 -2.709 456 HB3 ALA 60 3HB ALA 60 -4.355 9.960 -1.842 457 H ALA 61 H ALA 61 -6.947 10.757 -2.425 458 HA ALA 61 HA ALA 61 -7.740 9.809 0.055 459 HB1 ALA 61 1HB ALA 61 -9.748 11.340 -1.508 460 HB2 ALA 61 2HB ALA 61 -8.179 12.099 -1.239 461 HB3 ALA 61 3HB ALA 61 -9.160 11.593 0.136 462 H ALA 62 H ALA 62 -9.007 9.112 -3.122 463 HA ALA 62 HA ALA 62 -11.389 7.812 -2.287 464 HB1 ALA 62 1HB ALA 62 -9.841 7.481 -4.856 465 HB2 ALA 62 2HB ALA 62 -11.112 8.667 -4.564 466 HB3 ALA 62 3HB ALA 62 -11.495 6.947 -4.571 467 H ALA 63 H ALA 63 -8.146 6.640 -3.166 468 HA ALA 63 HA ALA 63 -8.677 3.881 -2.813 469 HB1 ALA 63 1HB ALA 63 -6.696 4.095 -3.891 470 HB2 ALA 63 2HB ALA 63 -6.052 4.021 -2.251 471 HB3 ALA 63 3HB ALA 63 -6.269 5.583 -3.047 472 H ILE 64 H ILE 64 -7.782 6.497 -0.716 473 HA ILE 64 HA ILE 64 -7.148 5.067 1.626 474 HB ILE 64 HB ILE 64 -8.211 7.850 1.144 475 HG12 ILE 64 2HG1 ILE 64 -5.443 6.913 1.929 476 HG13 ILE 64 1HG1 ILE 64 -5.937 7.308 0.289 477 HG21 ILE 64 1HG2 ILE 64 -8.326 8.311 3.342 478 HG22 ILE 64 2HG2 ILE 64 -6.835 7.440 3.695 479 HG23 ILE 64 3HG2 ILE 64 -8.360 6.565 3.587 480 HD11 ILE 64 3HD1 ILE 64 -6.595 9.475 2.031 481 HD12 ILE 64 1HD1 ILE 64 -5.515 9.445 0.637 482 HD13 ILE 64 2HD1 ILE 64 -4.902 9.026 2.238 483 H ASP 65 H ASP 65 -10.131 6.703 0.580 484 HA ASP 65 HA ASP 65 -11.646 5.677 2.786 485 HB2 ASP 65 2HB ASP 65 -12.331 7.289 0.343 486 HB3 ASP 65 1HB ASP 65 -13.583 6.689 1.429 487 H ASN 66 H ASN 66 -10.775 4.443 -0.267 488 HA ASN 66 HA ASN 66 -13.119 2.691 -0.404 489 HB2 ASN 66 2HB ASN 66 -10.901 3.337 -2.316 490 HB3 ASN 66 1HB ASN 66 -11.826 1.853 -2.517 491 HD21 ASN 66 1HD2 ASN 66 -14.323 2.436 -2.033 492 HD22 ASN 66 2HD2 ASN 66 -14.916 3.685 -3.067 493 H MET 67 H MET 67 -9.574 2.407 -0.259 494 HA MET 67 HA MET 67 -9.640 -0.428 0.034 495 HB2 MET 67 2HB MET 67 -7.709 1.298 -0.706 496 HB3 MET 67 1HB MET 67 -7.248 1.038 0.970 497 HG2 MET 67 2HG MET 67 -6.037 -0.541 -0.232 498 HG3 MET 67 1HG MET 67 -7.383 -1.442 0.462 499 HE1 MET 67 3HE MET 67 -9.877 -1.819 -1.844 500 HE2 MET 67 1HE MET 67 -9.007 -2.478 -0.459 501 HE3 MET 67 2HE MET 67 -8.859 -3.246 -2.041 502 H ASN 68 H ASN 68 -9.714 2.231 2.296 503 HA ASN 68 HA ASN 68 -8.830 0.888 4.585 504 HB2 ASN 68 2HB ASN 68 -9.304 3.395 4.287 505 HB3 ASN 68 1HB ASN 68 -10.977 3.000 4.657 506 HD21 ASN 68 1HD2 ASN 68 -11.173 1.578 6.697 507 HD22 ASN 68 2HD2 ASN 68 -10.231 2.092 8.049 508 H GLU 69 H GLU 69 -9.637 -0.731 5.633 509 HA GLU 69 HA GLU 69 -11.067 -2.259 6.509 510 HB2 GLU 69 2HB GLU 69 -12.279 -0.274 7.363 511 HB3 GLU 69 1HB GLU 69 -13.212 -0.223 5.875 512 HG2 GLU 69 2HG GLU 69 -13.654 -2.772 6.663 513 HG3 GLU 69 1HG GLU 69 -13.486 -1.961 8.219 514 H SER 70 H SER 70 -10.261 -2.910 4.114 515 HA SER 70 HA SER 70 -12.679 -3.835 2.701 516 HB2 SER 70 2HB SER 70 -10.986 -2.102 1.592 517 HB3 SER 70 1HB SER 70 -10.104 -3.584 1.223 518 HG SER 70 HG SER 70 -11.471 -3.877 -0.329 519 H GLU 71 H GLU 71 -11.472 -5.596 0.954 520 HA GLU 71 HA GLU 71 -10.089 -7.524 2.694 521 HB2 GLU 71 2HB GLU 71 -12.540 -8.040 2.454 522 HB3 GLU 71 1HB GLU 71 -12.263 -8.261 0.731 523 HG2 GLU 71 2HG GLU 71 -10.346 -9.857 1.911 524 HG3 GLU 71 1HG GLU 71 -11.757 -10.058 2.947 525 H LEU 72 H LEU 72 -8.264 -8.261 1.834 526 HA LEU 72 HA LEU 72 -8.051 -8.493 -1.077 527 HB2 LEU 72 2HB LEU 72 -7.070 -6.286 -0.156 528 HB3 LEU 72 1HB LEU 72 -5.779 -7.291 0.475 529 HG LEU 72 HG LEU 72 -5.321 -8.094 -1.835 530 HD11 LEU 72 1HD1 LEU 72 -7.794 -6.722 -2.354 531 HD12 LEU 72 2HD1 LEU 72 -6.881 -7.820 -3.385 532 HD13 LEU 72 3HD1 LEU 72 -6.511 -6.097 -3.390 533 HD21 LEU 72 3HD2 LEU 72 -4.901 -5.389 -0.829 534 HD22 LEU 72 1HD2 LEU 72 -4.812 -5.492 -2.586 535 HD23 LEU 72 2HD2 LEU 72 -3.769 -6.503 -1.589 536 H PHE 73 H PHE 73 -7.372 -10.447 -1.585 537 HA PHE 73 HA PHE 73 -6.444 -12.514 -1.448 538 HB2 PHE 73 2HB PHE 73 -4.439 -10.880 0.099 539 HB3 PHE 73 1HB PHE 73 -4.214 -12.606 -0.171 540 HD1 PHE 73 1HD PHE 73 -4.807 -13.209 -2.799 541 HD2 PHE 73 2HD PHE 73 -3.213 -9.559 -1.304 542 HE1 PHE 73 1HE PHE 73 -3.837 -12.733 -5.007 543 HE2 PHE 73 2HE PHE 73 -2.240 -9.078 -3.507 544 HZ PHE 73 HZ PHE 73 -2.549 -10.663 -5.366 545 H GLY 74 H GLY 74 -8.553 -11.995 0.266 546 HA2 GLY 74 2HA GLY 74 -9.677 -13.054 1.954 547 HA3 GLY 74 1HA GLY 74 -8.308 -14.142 2.102 548 H ARG 75 H ARG 75 -7.458 -10.844 2.408 549 HA ARG 75 HA ARG 75 -7.658 -11.005 5.320 550 HB2 ARG 75 2HB ARG 75 -5.437 -11.342 5.332 551 HB3 ARG 75 1HB ARG 75 -5.266 -10.877 3.646 552 HG2 ARG 75 2HG ARG 75 -5.286 -8.515 4.320 553 HG3 ARG 75 1HG ARG 75 -5.381 -9.018 6.010 554 HD2 ARG 75 2HD ARG 75 -3.250 -10.371 4.613 555 HD3 ARG 75 1HD ARG 75 -3.081 -8.628 4.499 556 HE ARG 75 HE ARG 75 -3.038 -8.531 6.904 557 HH11 ARG 75 1HH1 ARG 75 -2.752 -11.753 5.560 558 HH12 ARG 75 2HH1 ARG 75 -1.970 -12.396 6.961 559 HH21 ARG 75 1HH2 ARG 75 -2.034 -9.395 8.746 560 HH22 ARG 75 2HH2 ARG 75 -1.568 -11.062 8.770 561 H THR 76 H THR 76 -7.650 -8.983 6.414 562 HA THR 76 HA THR 76 -8.990 -6.913 4.894 563 HB THR 76 HB THR 76 -8.404 -6.989 7.858 564 HG1 THR 76 1HG THR 76 -9.975 -8.341 8.058 565 HG21 THR 76 3HG2 THR 76 -9.076 -4.807 7.296 566 HG22 THR 76 1HG2 THR 76 -10.507 -5.607 7.945 567 HG23 THR 76 2HG2 THR 76 -10.330 -5.393 6.203 568 H ILE 77 H ILE 77 -8.131 -5.041 4.330 569 HA ILE 77 HA ILE 77 -5.458 -4.349 5.345 570 HB ILE 77 HB ILE 77 -5.019 -3.268 3.167 571 HG12 ILE 77 2HG1 ILE 77 -7.601 -4.606 2.322 572 HG13 ILE 77 1HG1 ILE 77 -7.344 -2.870 2.488 573 HG21 ILE 77 1HG2 ILE 77 -5.080 -5.546 1.831 574 HG22 ILE 77 2HG2 ILE 77 -5.483 -6.192 3.420 575 HG23 ILE 77 3HG2 ILE 77 -3.983 -5.296 3.186 576 HD11 ILE 77 3HD1 ILE 77 -7.231 -3.481 0.174 577 HD12 ILE 77 1HD1 ILE 77 -6.009 -4.705 0.522 578 HD13 ILE 77 2HD1 ILE 77 -5.627 -2.996 0.729 579 H ARG 78 H ARG 78 -4.977 -2.118 5.523 580 HA ARG 78 HA ARG 78 -7.289 -0.300 5.494 581 HB2 ARG 78 2HB ARG 78 -5.474 -0.967 7.768 582 HB3 ARG 78 1HB ARG 78 -6.046 0.689 7.620 583 HG2 ARG 78 2HG ARG 78 -8.239 -1.134 7.301 584 HG3 ARG 78 1HG ARG 78 -7.362 -1.487 8.791 585 HD2 ARG 78 2HD ARG 78 -7.585 0.808 9.507 586 HD3 ARG 78 1HD ARG 78 -8.356 1.243 7.984 587 HE ARG 78 HE ARG 78 -10.126 -0.441 8.724 588 HH11 ARG 78 1HH1 ARG 78 -8.300 1.556 10.946 589 HH12 ARG 78 2HH1 ARG 78 -9.537 1.544 12.154 590 HH21 ARG 78 1HH2 ARG 78 -11.744 -0.438 10.317 591 HH22 ARG 78 2HH2 ARG 78 -11.487 0.421 11.799 592 H VAL 79 H VAL 79 -6.884 1.685 4.650 593 HA VAL 79 HA VAL 79 -4.065 2.386 4.170 594 HB VAL 79 HB VAL 79 -6.430 2.793 2.349 595 HG11 VAL 79 1HG1 VAL 79 -4.889 3.978 0.831 596 HG12 VAL 79 2HG1 VAL 79 -3.655 3.963 2.092 597 HG13 VAL 79 3HG1 VAL 79 -5.156 4.860 2.334 598 HG21 VAL 79 3HG2 VAL 79 -5.334 1.363 0.865 599 HG22 VAL 79 1HG2 VAL 79 -5.063 0.617 2.441 600 HG23 VAL 79 2HG2 VAL 79 -3.786 1.563 1.676 601 H ASN 80 H ASN 80 -3.508 4.613 4.196 602 HA ASN 80 HA ASN 80 -5.455 6.568 4.992 603 HB2 ASN 80 2HB ASN 80 -4.419 7.151 7.129 604 HB3 ASN 80 1HB ASN 80 -5.007 5.491 7.151 605 HD21 ASN 80 1HD2 ASN 80 -3.601 5.037 8.866 606 HD22 ASN 80 2HD2 ASN 80 -1.910 4.792 8.608 607 H LEU 81 H LEU 81 -4.547 8.746 5.198 608 HA LEU 81 HA LEU 81 -2.588 9.224 3.178 609 HB2 LEU 81 2HB LEU 81 -4.598 10.694 3.965 610 HB3 LEU 81 1HB LEU 81 -3.456 11.304 5.146 611 HG LEU 81 HG LEU 81 -1.926 11.812 3.154 612 HD11 LEU 81 1HD1 LEU 81 -3.400 10.386 1.621 613 HD12 LEU 81 2HD1 LEU 81 -2.818 11.933 1.007 614 HD13 LEU 81 3HD1 LEU 81 -4.478 11.783 1.584 615 HD21 LEU 81 3HD2 LEU 81 -4.375 13.241 4.006 616 HD22 LEU 81 1HD2 LEU 81 -3.556 13.833 2.562 617 HD23 LEU 81 2HD2 LEU 81 -2.684 13.733 4.090 618 H ALA 82 H ALA 82 -0.475 9.885 3.368 619 HA ALA 82 HA ALA 82 0.825 9.226 5.865 620 HB1 ALA 82 1HB ALA 82 2.872 9.349 4.668 621 HB2 ALA 82 2HB ALA 82 2.124 10.254 3.351 622 HB3 ALA 82 3HB ALA 82 1.703 8.560 3.608 623 H LYS 83 H LYS 83 0.344 10.815 7.337 624 HA LYS 83 HA LYS 83 1.229 13.544 6.663 625 HB2 LYS 83 2HB LYS 83 -1.246 12.847 7.459 626 HB3 LYS 83 1HB LYS 83 -0.500 13.102 9.029 627 HG2 LYS 83 2HG LYS 83 0.303 15.347 7.950 628 HG3 LYS 83 1HG LYS 83 -1.051 15.059 6.854 629 HD2 LYS 83 2HD LYS 83 -2.434 14.688 8.996 630 HD3 LYS 83 1HD LYS 83 -1.091 15.475 9.826 631 HE2 LYS 83 2HE LYS 83 -2.008 16.907 7.445 632 HE3 LYS 83 1HE LYS 83 -3.239 16.753 8.698 633 HZ1 LYS 83 3HZ LYS 83 -1.721 17.738 10.283 634 HZ2 LYS 83 1HZ LYS 83 -1.917 18.769 8.954 635 HZ3 LYS 83 2HZ LYS 83 -0.508 17.846 9.109 Start of MODEL 6 1 H1 GLY -2 1HT GLY -2 1.206 27.436 -5.079 2 H2 GLY -2 2HT GLY -2 2.237 26.809 -3.895 3 H3 GLY -2 3HT GLY -2 0.735 27.453 -3.454 4 HA2 GLY -2 1HA GLY -2 -0.456 25.687 -4.378 5 HA3 GLY -2 2HA GLY -2 0.948 25.145 -5.284 6 H SER -1 H SER -1 -0.949 24.154 -2.954 7 HA SER -1 HA SER -1 1.242 22.907 -1.429 8 HB2 SER -1 2HB SER -1 -1.437 23.328 -0.161 9 HB3 SER -1 1HB SER -1 0.154 23.209 0.593 10 HG SER -1 HG SER -1 -0.829 25.366 0.510 11 H THR 3 H THR 3 1.325 20.806 -1.808 12 HA THR 3 HA THR 3 -0.905 19.402 -2.974 13 HB THR 3 HB THR 3 0.621 17.484 -3.052 14 HG1 THR 3 1HG THR 3 2.532 17.494 -2.044 15 HG21 THR 3 3HG2 THR 3 0.919 18.960 -4.883 16 HG22 THR 3 1HG2 THR 3 2.523 18.495 -4.316 17 HG23 THR 3 2HG2 THR 3 1.866 20.080 -3.906 18 H THR 4 H THR 4 -2.188 17.873 -2.042 19 HA THR 4 HA THR 4 -2.126 17.760 0.876 20 HB THR 4 HB THR 4 -4.269 18.339 -0.072 21 HG1 THR 4 1HG THR 4 -5.508 16.574 0.794 22 HG21 THR 4 3HG2 THR 4 -3.853 17.050 -2.262 23 HG22 THR 4 1HG2 THR 4 -5.490 17.127 -1.611 24 HG23 THR 4 2HG2 THR 4 -4.518 15.672 -1.391 25 H LYS 5 H LYS 5 -0.054 16.401 -0.204 26 HA LYS 5 HA LYS 5 1.044 14.419 -0.127 27 HB2 LYS 5 2HB LYS 5 -1.308 13.888 1.648 28 HB3 LYS 5 1HB LYS 5 -0.190 12.587 1.261 29 HG2 LYS 5 2HG LYS 5 0.652 13.413 3.240 30 HG3 LYS 5 1HG LYS 5 1.637 14.234 2.034 31 HD2 LYS 5 2HD LYS 5 -0.023 16.145 2.193 32 HD3 LYS 5 1HD LYS 5 -0.665 15.335 3.624 33 HE2 LYS 5 2HE LYS 5 1.947 15.319 4.237 34 HE3 LYS 5 1HE LYS 5 1.893 16.767 3.230 35 HZ1 LYS 5 3HZ LYS 5 1.518 17.421 5.463 36 HZ2 LYS 5 1HZ LYS 5 0.333 16.238 5.696 37 HZ3 LYS 5 2HZ LYS 5 0.033 17.545 4.665 38 H ARG 6 H ARG 6 1.063 12.200 -0.926 39 HA ARG 6 HA ARG 6 -1.223 11.389 -2.538 40 HB2 ARG 6 2HB ARG 6 1.513 11.768 -3.768 41 HB3 ARG 6 1HB ARG 6 0.077 11.165 -4.583 42 HG2 ARG 6 2HG ARG 6 -0.978 13.285 -4.487 43 HG3 ARG 6 1HG ARG 6 0.240 13.914 -3.379 44 HD2 ARG 6 2HD ARG 6 1.429 12.901 -5.813 45 HD3 ARG 6 1HD ARG 6 0.223 14.143 -6.147 46 HE ARG 6 HE ARG 6 1.626 15.312 -4.216 47 HH11 ARG 6 1HH1 ARG 6 2.705 13.603 -7.066 48 HH12 ARG 6 2HH1 ARG 6 4.170 14.514 -7.206 49 HH21 ARG 6 1HH2 ARG 6 3.547 16.509 -4.405 50 HH22 ARG 6 2HH2 ARG 6 4.648 16.165 -5.698 51 H VAL 7 H VAL 7 0.576 10.473 -0.208 52 HA VAL 7 HA VAL 7 1.113 7.786 -1.289 53 HB VAL 7 HB VAL 7 2.551 8.670 1.163 54 HG11 VAL 7 1HG1 VAL 7 2.563 6.373 -0.107 55 HG12 VAL 7 2HG1 VAL 7 4.039 7.020 0.609 56 HG13 VAL 7 3HG1 VAL 7 3.751 7.191 -1.123 57 HG21 VAL 7 3HG2 VAL 7 3.291 10.518 0.078 58 HG22 VAL 7 1HG2 VAL 7 2.948 9.853 -1.518 59 HG23 VAL 7 2HG2 VAL 7 4.398 9.354 -0.648 60 H LEU 8 H LEU 8 0.078 6.139 -0.331 61 HA LEU 8 HA LEU 8 -1.239 6.676 2.249 62 HB2 LEU 8 2HB LEU 8 -2.276 4.647 0.313 63 HB3 LEU 8 1HB LEU 8 -3.125 5.505 1.584 64 HG LEU 8 HG LEU 8 -2.219 6.672 -1.047 65 HD11 LEU 8 1HD1 LEU 8 -4.712 6.970 -1.328 66 HD12 LEU 8 2HD1 LEU 8 -4.903 5.872 0.039 67 HD13 LEU 8 3HD1 LEU 8 -4.110 5.315 -1.432 68 HD21 LEU 8 3HD2 LEU 8 -2.159 8.582 0.141 69 HD22 LEU 8 1HD2 LEU 8 -3.087 7.905 1.478 70 HD23 LEU 8 2HD2 LEU 8 -3.916 8.489 0.039 71 H TYR 9 H TYR 9 -1.465 4.899 3.719 72 HA TYR 9 HA TYR 9 0.636 2.860 3.332 73 HB2 TYR 9 2HB TYR 9 0.832 4.472 5.284 74 HB3 TYR 9 1HB TYR 9 -0.594 3.694 5.964 75 HD1 TYR 9 2HD TYR 9 -0.337 0.960 5.899 76 HD2 TYR 9 1HD TYR 9 2.838 3.780 6.172 77 HE1 TYR 9 2HE TYR 9 1.094 -0.763 6.892 78 HE2 TYR 9 1HE TYR 9 4.281 2.059 7.176 79 HH TYR 9 HH TYR 9 4.208 -0.736 7.000 80 H VAL 10 H VAL 10 0.139 0.719 3.425 81 HA VAL 10 HA VAL 10 -2.691 0.051 3.901 82 HB VAL 10 HB VAL 10 -0.677 -1.608 2.386 83 HG11 VAL 10 1HG1 VAL 10 -2.426 -2.971 3.235 84 HG12 VAL 10 2HG1 VAL 10 -2.773 -2.699 1.529 85 HG13 VAL 10 3HG1 VAL 10 -3.658 -1.800 2.763 86 HG21 VAL 10 3HG2 VAL 10 -2.780 -0.478 0.761 87 HG22 VAL 10 1HG2 VAL 10 -1.030 -0.409 0.543 88 HG23 VAL 10 2HG2 VAL 10 -1.841 0.793 1.546 89 H GLY 11 H GLY 11 -3.146 -1.058 5.688 90 HA2 GLY 11 2HA GLY 11 -0.996 -2.652 6.930 91 HA3 GLY 11 1HA GLY 11 -2.100 -1.668 7.873 92 H GLY 12 H GLY 12 -1.431 -4.734 7.106 93 HA2 GLY 12 2HA GLY 12 -2.863 -6.470 8.047 94 HA3 GLY 12 1HA GLY 12 -4.243 -5.588 7.393 95 H LEU 13 H LEU 13 -1.116 -6.443 6.047 96 HA LEU 13 HA LEU 13 -2.464 -7.504 3.691 97 HB2 LEU 13 2HB LEU 13 0.225 -6.356 4.226 98 HB3 LEU 13 1HB LEU 13 -0.059 -7.274 2.777 99 HG LEU 13 HG LEU 13 -1.479 -4.743 3.568 100 HD11 LEU 13 1HD1 LEU 13 0.240 -3.656 2.710 101 HD12 LEU 13 2HD1 LEU 13 -0.053 -4.440 1.159 102 HD13 LEU 13 3HD1 LEU 13 1.049 -5.175 2.323 103 HD21 LEU 13 3HD2 LEU 13 -2.552 -4.791 1.439 104 HD22 LEU 13 1HD2 LEU 13 -2.819 -6.367 2.181 105 HD23 LEU 13 2HD2 LEU 13 -1.602 -6.181 0.921 106 H ALA 14 H ALA 14 -0.725 -8.998 2.489 107 HA ALA 14 HA ALA 14 0.371 -11.028 4.272 108 HB1 ALA 14 1HB ALA 14 -1.341 -12.420 3.943 109 HB2 ALA 14 2HB ALA 14 -0.863 -12.502 2.246 110 HB3 ALA 14 3HB ALA 14 -2.071 -11.329 2.767 111 H GLU 15 H GLU 15 1.679 -12.643 2.959 112 HA GLU 15 HA GLU 15 3.620 -11.384 1.454 113 HB2 GLU 15 2HB GLU 15 4.064 -13.764 0.547 114 HB3 GLU 15 1HB GLU 15 4.217 -13.477 2.275 115 HG2 GLU 15 2HG GLU 15 2.635 -14.954 2.749 116 HG3 GLU 15 1HG GLU 15 1.522 -14.242 1.583 117 H GLU 16 H GLU 16 0.523 -12.521 0.438 118 HA GLU 16 HA GLU 16 0.984 -12.862 -2.307 119 HB2 GLU 16 2HB GLU 16 -1.666 -11.813 -1.503 120 HB3 GLU 16 1HB GLU 16 -1.258 -13.191 -2.512 121 HG2 GLU 16 2HG GLU 16 -0.432 -14.151 -0.175 122 HG3 GLU 16 1HG GLU 16 -1.647 -13.016 0.415 123 H VAL 17 H VAL 17 0.072 -9.964 -0.482 124 HA VAL 17 HA VAL 17 -0.396 -8.378 -2.765 125 HB VAL 17 HB VAL 17 -1.302 -7.879 -0.499 126 HG11 VAL 17 1HG1 VAL 17 1.160 -6.447 0.258 127 HG12 VAL 17 2HG1 VAL 17 1.214 -8.201 0.389 128 HG13 VAL 17 3HG1 VAL 17 -0.020 -7.295 1.250 129 HG21 VAL 17 3HG2 VAL 17 0.113 -5.395 -1.145 130 HG22 VAL 17 1HG2 VAL 17 -1.615 -5.744 -1.117 131 HG23 VAL 17 2HG2 VAL 17 -0.648 -6.171 -2.529 132 H ASP 18 H ASP 18 0.777 -6.900 -3.740 133 HA ASP 18 HA ASP 18 3.478 -6.262 -2.994 134 HB2 ASP 18 2HB ASP 18 2.848 -7.868 -5.478 135 HB3 ASP 18 1HB ASP 18 4.358 -6.986 -5.257 136 H ASP 19 H ASP 19 4.426 -4.860 -4.898 137 HA ASP 19 HA ASP 19 2.743 -2.628 -5.175 138 HB2 ASP 19 2HB ASP 19 4.496 -1.757 -6.708 139 HB3 ASP 19 1HB ASP 19 5.154 -2.356 -5.187 140 H LYS 20 H LYS 20 3.309 -5.416 -7.122 141 HA LYS 20 HA LYS 20 2.324 -4.463 -9.578 142 HB2 LYS 20 2HB LYS 20 2.406 -6.717 -10.282 143 HB3 LYS 20 1HB LYS 20 3.713 -6.529 -9.121 144 HG2 LYS 20 2HG LYS 20 2.125 -7.479 -7.392 145 HG3 LYS 20 1HG LYS 20 1.084 -7.928 -8.743 146 HD2 LYS 20 2HD LYS 20 3.869 -8.713 -9.130 147 HD3 LYS 20 1HD LYS 20 3.146 -9.437 -7.694 148 HE2 LYS 20 2HE LYS 20 1.272 -9.608 -9.836 149 HE3 LYS 20 1HE LYS 20 2.831 -10.197 -10.406 150 HZ1 LYS 20 3HZ LYS 20 1.002 -11.384 -8.539 151 HZ2 LYS 20 1HZ LYS 20 2.590 -11.344 -7.962 152 HZ3 LYS 20 2HZ LYS 20 2.245 -12.100 -9.433 153 H VAL 21 H VAL 21 0.736 -6.290 -6.977 154 HA VAL 21 HA VAL 21 -1.809 -6.295 -8.281 155 HB VAL 21 HB VAL 21 -1.011 -7.937 -6.477 156 HG11 VAL 21 1HG1 VAL 21 -2.202 -5.930 -4.603 157 HG12 VAL 21 2HG1 VAL 21 -0.470 -6.077 -4.870 158 HG13 VAL 21 3HG1 VAL 21 -1.372 -7.437 -4.220 159 HG21 VAL 21 3HG2 VAL 21 -3.315 -7.752 -7.495 160 HG22 VAL 21 1HG2 VAL 21 -3.766 -6.797 -6.086 161 HG23 VAL 21 2HG2 VAL 21 -3.258 -8.469 -5.887 162 H LEU 22 H LEU 22 -0.339 -4.451 -5.684 163 HA LEU 22 HA LEU 22 -2.555 -2.873 -5.006 164 HB2 LEU 22 2HB LEU 22 0.412 -2.452 -4.785 165 HB3 LEU 22 1HB LEU 22 -0.712 -1.197 -4.301 166 HG LEU 22 HG LEU 22 -1.214 -3.869 -3.147 167 HD11 LEU 22 1HD1 LEU 22 1.314 -2.354 -2.684 168 HD12 LEU 22 2HD1 LEU 22 1.046 -4.093 -2.771 169 HD13 LEU 22 3HD1 LEU 22 0.553 -3.198 -1.336 170 HD21 LEU 22 3HD2 LEU 22 -2.460 -2.609 -1.829 171 HD22 LEU 22 1HD2 LEU 22 -1.853 -1.146 -2.603 172 HD23 LEU 22 2HD2 LEU 22 -1.008 -1.825 -1.207 173 H HIS 23 H HIS 23 -0.134 -2.617 -7.527 174 HA HIS 23 HA HIS 23 -0.736 -0.001 -8.384 175 HB2 HIS 23 2HB HIS 23 0.817 -2.273 -9.310 176 HB3 HIS 23 1HB HIS 23 0.003 -1.476 -10.654 177 HD1 HIS 23 1HD HIS 23 2.969 -1.243 -8.596 178 HD2 HIS 23 2HD HIS 23 0.611 1.413 -10.751 179 HE1 HIS 23 1HE HIS 23 4.387 0.809 -8.914 180 HE2 HIS 23 2HE HIS 23 2.973 2.363 -10.304 181 H ALA 24 H ALA 24 -1.775 -3.143 -9.648 182 HA ALA 24 HA ALA 24 -3.684 -2.111 -11.454 183 HB1 ALA 24 1HB ALA 24 -2.984 -4.801 -10.418 184 HB2 ALA 24 2HB ALA 24 -3.019 -4.200 -12.075 185 HB3 ALA 24 3HB ALA 24 -4.527 -4.598 -11.250 186 H ALA 25 H ALA 25 -3.911 -3.216 -8.119 187 HA ALA 25 HA ALA 25 -6.770 -3.206 -8.057 188 HB1 ALA 25 1HB ALA 25 -6.071 -4.617 -6.442 189 HB2 ALA 25 2HB ALA 25 -6.168 -3.151 -5.463 190 HB3 ALA 25 3HB ALA 25 -4.613 -3.683 -6.105 191 H PHE 26 H PHE 26 -4.258 -0.910 -7.156 192 HA PHE 26 HA PHE 26 -6.300 0.890 -6.126 193 HB2 PHE 26 2HB PHE 26 -3.295 1.033 -6.091 194 HB3 PHE 26 1HB PHE 26 -4.338 2.310 -5.481 195 HD1 PHE 26 2HD PHE 26 -4.155 -1.436 -5.144 196 HD2 PHE 26 1HD PHE 26 -4.562 2.344 -3.217 197 HE1 PHE 26 2HE PHE 26 -4.295 -2.556 -2.963 198 HE2 PHE 26 1HE PHE 26 -4.689 1.223 -1.038 199 HZ PHE 26 HZ PHE 26 -4.563 -1.232 -0.908 200 H ILE 27 H ILE 27 -4.841 0.278 -9.097 201 HA ILE 27 HA ILE 27 -4.501 2.899 -10.070 202 HB ILE 27 HB ILE 27 -3.751 0.667 -11.153 203 HG12 ILE 27 2HG1 ILE 27 -4.103 1.925 -13.484 204 HG13 ILE 27 1HG1 ILE 27 -4.540 3.237 -12.388 205 HG21 ILE 27 1HG2 ILE 27 -5.680 -0.515 -11.618 206 HG22 ILE 27 2HG2 ILE 27 -5.245 0.182 -13.172 207 HG23 ILE 27 3HG2 ILE 27 -6.533 0.906 -12.217 208 HD11 ILE 27 3HD1 ILE 27 -2.283 3.561 -12.694 209 HD12 ILE 27 1HD1 ILE 27 -1.928 1.833 -12.704 210 HD13 ILE 27 2HD1 ILE 27 -2.335 2.641 -11.191 211 HA PRO 28 HA PRO 28 -9.140 2.421 -11.612 212 HB2 PRO 28 2HB PRO 28 -10.726 1.291 -9.664 213 HB3 PRO 28 1HB PRO 28 -10.132 0.423 -11.083 214 HG2 PRO 28 2HG PRO 28 -9.039 0.469 -8.297 215 HG3 PRO 28 1HG PRO 28 -9.253 -0.910 -9.396 216 HD2 PRO 28 2HD PRO 28 -6.860 0.201 -9.050 217 HD3 PRO 28 1HD PRO 28 -7.378 -0.360 -10.648 218 H PHE 29 H PHE 29 -8.418 2.507 -8.141 219 HA PHE 29 HA PHE 29 -10.165 4.711 -7.612 220 HB2 PHE 29 2HB PHE 29 -7.864 4.123 -5.802 221 HB3 PHE 29 1HB PHE 29 -9.527 4.529 -5.401 222 HD1 PHE 29 2HD PHE 29 -11.086 2.508 -6.763 223 HD2 PHE 29 1HD PHE 29 -7.345 2.150 -4.766 224 HE1 PHE 29 2HE PHE 29 -11.549 0.131 -6.322 225 HE2 PHE 29 1HE PHE 29 -7.796 -0.214 -4.317 226 HZ PHE 29 HZ PHE 29 -9.904 -1.236 -5.096 227 H GLY 30 H GLY 30 -6.929 4.326 -8.748 228 HA2 GLY 30 2HA GLY 30 -6.599 6.927 -9.613 229 HA3 GLY 30 1HA GLY 30 -5.918 6.868 -7.994 230 H ASP 31 H ASP 31 -4.908 6.964 -10.962 231 HA ASP 31 HA ASP 31 -3.353 4.664 -11.338 232 HB2 ASP 31 2HB ASP 31 -2.600 7.384 -12.377 233 HB3 ASP 31 1HB ASP 31 -2.267 5.811 -13.093 234 H ILE 32 H ILE 32 -2.029 3.970 -9.868 235 HA ILE 32 HA ILE 32 -0.611 5.514 -8.005 236 HB ILE 32 HB ILE 32 -0.030 2.746 -9.068 237 HG12 ILE 32 2HG1 ILE 32 -1.111 2.412 -6.595 238 HG13 ILE 32 1HG1 ILE 32 -1.969 3.848 -7.147 239 HG21 ILE 32 1HG2 ILE 32 1.554 2.410 -7.500 240 HG22 ILE 32 2HG2 ILE 32 0.775 3.458 -6.318 241 HG23 ILE 32 3HG2 ILE 32 1.742 4.153 -7.613 242 HD11 ILE 32 3HD1 ILE 32 -3.306 2.586 -8.334 243 HD12 ILE 32 1HD1 ILE 32 -2.443 1.145 -7.807 244 HD13 ILE 32 2HD1 ILE 32 -1.943 1.986 -9.273 245 H THR 33 H THR 33 1.550 6.106 -7.890 246 HA THR 33 HA THR 33 2.950 6.287 -10.470 247 HB THR 33 HB THR 33 3.772 8.035 -8.278 248 HG1 THR 33 1HG THR 33 1.317 8.487 -9.615 249 HG21 THR 33 3HG2 THR 33 4.506 8.085 -10.756 250 HG22 THR 33 1HG2 THR 33 4.204 9.600 -9.907 251 HG23 THR 33 2HG2 THR 33 2.985 8.945 -11.002 252 H ASP 34 H ASP 34 3.221 5.536 -7.074 253 HA ASP 34 HA ASP 34 5.565 3.987 -7.649 254 HB2 ASP 34 2HB ASP 34 5.732 6.597 -6.377 255 HB3 ASP 34 1HB ASP 34 6.435 5.329 -5.376 256 H ILE 35 H ILE 35 6.058 2.439 -6.048 257 HA ILE 35 HA ILE 35 4.331 2.323 -3.707 258 HB ILE 35 HB ILE 35 4.579 -0.063 -5.536 259 HG12 ILE 35 2HG1 ILE 35 2.278 1.877 -5.190 260 HG13 ILE 35 1HG1 ILE 35 3.235 1.642 -6.649 261 HG21 ILE 35 1HG2 ILE 35 3.480 -1.251 -3.975 262 HG22 ILE 35 2HG2 ILE 35 2.427 0.094 -3.541 263 HG23 ILE 35 3HG2 ILE 35 4.056 -0.003 -2.873 264 HD11 ILE 35 3HD1 ILE 35 2.398 -0.753 -6.625 265 HD12 ILE 35 1HD1 ILE 35 1.223 0.501 -7.021 266 HD13 ILE 35 2HD1 ILE 35 1.234 -0.218 -5.412 267 H GLN 36 H GLN 36 5.564 1.931 -2.003 268 HA GLN 36 HA GLN 36 8.059 0.419 -2.414 269 HB2 GLN 36 2HB GLN 36 7.504 2.964 -1.052 270 HB3 GLN 36 1HB GLN 36 8.511 1.855 -0.132 271 HG2 GLN 36 2HG GLN 36 10.270 2.426 -1.330 272 HG3 GLN 36 1HG GLN 36 9.463 1.895 -2.805 273 HE21 GLN 36 1HE2 GLN 36 10.519 3.570 -3.934 274 HE22 GLN 36 2HE2 GLN 36 9.968 5.203 -3.831 275 H ILE 37 H ILE 37 8.317 -1.377 -1.312 276 HA ILE 37 HA ILE 37 6.582 -1.877 1.016 277 HB ILE 37 HB ILE 37 7.829 -3.916 -0.834 278 HG12 ILE 37 2HG1 ILE 37 5.104 -4.196 -1.044 279 HG13 ILE 37 1HG1 ILE 37 5.280 -2.449 -0.910 280 HG21 ILE 37 1HG2 ILE 37 5.843 -4.275 1.406 281 HG22 ILE 37 2HG2 ILE 37 7.554 -4.697 1.473 282 HG23 ILE 37 3HG2 ILE 37 6.479 -5.545 0.361 283 HD11 ILE 37 3HD1 ILE 37 6.343 -2.267 -2.909 284 HD12 ILE 37 1HD1 ILE 37 5.330 -3.674 -3.232 285 HD13 ILE 37 2HD1 ILE 37 7.032 -3.889 -2.819 286 HA PRO 38 HA PRO 38 10.695 -1.797 2.902 287 HB2 PRO 38 2HB PRO 38 9.918 -1.318 5.413 288 HB3 PRO 38 1HB PRO 38 9.842 -0.060 4.173 289 HG2 PRO 38 2HG PRO 38 7.655 -1.825 5.210 290 HG3 PRO 38 1HG PRO 38 7.630 -0.075 4.925 291 HD2 PRO 38 2HD PRO 38 6.610 -1.893 3.165 292 HD3 PRO 38 1HD PRO 38 7.278 -0.326 2.665 293 H LEU 39 H LEU 39 11.905 -3.311 3.867 294 HA LEU 39 HA LEU 39 10.687 -5.410 5.464 295 HB2 LEU 39 2HB LEU 39 12.111 -7.086 4.070 296 HB3 LEU 39 1HB LEU 39 10.518 -6.624 3.534 297 HG LEU 39 HG LEU 39 12.367 -6.769 1.787 298 HD11 LEU 39 1HD1 LEU 39 10.160 -4.994 2.076 299 HD12 LEU 39 2HD1 LEU 39 10.823 -5.726 0.616 300 HD13 LEU 39 3HD1 LEU 39 11.447 -4.179 1.185 301 HD21 LEU 39 3HD2 LEU 39 14.226 -5.647 2.281 302 HD22 LEU 39 1HD2 LEU 39 13.420 -4.627 3.466 303 HD23 LEU 39 2HD2 LEU 39 13.340 -4.218 1.758 304 H ASP 40 H ASP 40 12.888 -7.098 5.698 305 HA ASP 40 HA ASP 40 14.510 -5.625 7.500 306 HB2 ASP 40 2HB ASP 40 14.806 -8.406 6.354 307 HB3 ASP 40 1HB ASP 40 15.845 -7.752 7.617 308 H TYR 41 H TYR 41 16.770 -5.192 7.382 309 HA TYR 41 HA TYR 41 17.612 -4.436 4.723 310 HB2 TYR 41 2HB TYR 41 19.579 -3.447 5.918 311 HB3 TYR 41 1HB TYR 41 18.022 -2.837 6.464 312 HD1 TYR 41 2HD TYR 41 17.168 -3.421 8.682 313 HD2 TYR 41 1HD TYR 41 20.981 -4.773 7.369 314 HE1 TYR 41 2HE TYR 41 17.760 -3.982 11.001 315 HE2 TYR 41 1HE TYR 41 21.586 -5.334 9.685 316 HH TYR 41 HH TYR 41 19.304 -5.436 12.211 317 H GLU 42 H GLU 42 18.076 -7.097 6.812 318 HA GLU 42 HA GLU 42 20.465 -7.939 5.316 319 HB2 GLU 42 2HB GLU 42 19.525 -8.403 8.103 320 HB3 GLU 42 1HB GLU 42 20.453 -9.681 7.327 321 HG2 GLU 42 2HG GLU 42 22.278 -8.122 6.917 322 HG3 GLU 42 1HG GLU 42 21.345 -6.826 7.662 323 H THR 43 H THR 43 17.238 -8.901 6.319 324 HA THR 43 HA THR 43 17.483 -11.316 4.647 325 HB THR 43 HB THR 43 15.235 -11.811 6.015 326 HG1 THR 43 1HG THR 43 16.770 -10.395 7.918 327 HG21 THR 43 3HG2 THR 43 18.053 -12.426 6.527 328 HG22 THR 43 1HG2 THR 43 16.651 -13.491 6.415 329 HG23 THR 43 2HG2 THR 43 16.978 -12.620 7.913 330 H GLU 44 H GLU 44 16.289 -8.241 4.545 331 HA GLU 44 HA GLU 44 14.492 -7.203 3.549 332 HB2 GLU 44 2HB GLU 44 14.595 -7.395 1.186 333 HB3 GLU 44 1HB GLU 44 16.225 -7.628 1.798 334 HG2 GLU 44 2HG GLU 44 15.579 -10.163 1.681 335 HG3 GLU 44 1HG GLU 44 14.375 -9.583 0.530 336 H LYS 45 H LYS 45 13.312 -8.959 5.153 337 HA LYS 45 HA LYS 45 11.223 -10.175 3.472 338 HB2 LYS 45 2HB LYS 45 10.782 -11.674 5.435 339 HB3 LYS 45 1HB LYS 45 12.340 -11.920 4.661 340 HG2 LYS 45 2HG LYS 45 13.489 -10.828 6.422 341 HG3 LYS 45 1HG LYS 45 11.986 -10.228 7.120 342 HD2 LYS 45 2HD LYS 45 12.315 -13.165 6.804 343 HD3 LYS 45 1HD LYS 45 13.213 -12.357 8.092 344 HE2 LYS 45 2HE LYS 45 10.414 -11.535 7.938 345 HE3 LYS 45 1HE LYS 45 10.618 -13.257 8.253 346 HZ1 LYS 45 3HZ LYS 45 11.139 -11.007 9.964 347 HZ2 LYS 45 1HZ LYS 45 12.414 -12.121 9.926 348 HZ3 LYS 45 2HZ LYS 45 10.860 -12.626 10.363 349 H HIS 46 H HIS 46 9.559 -8.822 3.413 350 HA HIS 46 HA HIS 46 8.967 -6.968 5.492 351 HB2 HIS 46 2HB HIS 46 6.672 -6.948 4.084 352 HB3 HIS 46 1HB HIS 46 8.117 -6.090 3.571 353 HD1 HIS 46 1HD HIS 46 9.255 -6.874 1.441 354 HD2 HIS 46 2HD HIS 46 6.103 -9.318 2.610 355 HE1 HIS 46 1HE HIS 46 8.837 -8.409 -0.506 356 HE2 HIS 46 2HE HIS 46 6.860 -9.812 0.186 357 H ARG 47 H ARG 47 6.408 -6.943 6.085 358 HA ARG 47 HA ARG 47 5.877 -9.573 7.310 359 HB2 ARG 47 2HB ARG 47 5.017 -6.877 8.373 360 HB3 ARG 47 1HB ARG 47 4.835 -8.433 9.169 361 HG2 ARG 47 2HG ARG 47 7.003 -8.509 9.834 362 HG3 ARG 47 1HG ARG 47 7.579 -7.593 8.438 363 HD2 ARG 47 2HD ARG 47 7.149 -5.572 9.415 364 HD3 ARG 47 1HD ARG 47 5.843 -6.204 10.413 365 HE ARG 47 HE ARG 47 7.717 -7.336 11.697 366 HH11 ARG 47 1HH1 ARG 47 8.124 -4.264 10.067 367 HH12 ARG 47 2HH1 ARG 47 9.396 -3.745 11.119 368 HH21 ARG 47 1HH2 ARG 47 9.383 -6.638 13.070 369 HH22 ARG 47 2HH2 ARG 47 10.107 -5.085 12.820 370 H GLY 48 H GLY 48 4.237 -6.571 6.330 371 HA2 GLY 48 2HA GLY 48 2.480 -7.683 4.507 372 HA3 GLY 48 1HA GLY 48 1.683 -7.800 6.067 373 H PHE 49 H PHE 49 3.780 -5.250 4.731 374 HA PHE 49 HA PHE 49 1.462 -3.464 4.675 375 HB2 PHE 49 2HB PHE 49 4.030 -2.694 6.070 376 HB3 PHE 49 1HB PHE 49 2.517 -1.793 6.025 377 HD1 PHE 49 2HD PHE 49 0.491 -3.620 6.656 378 HD2 PHE 49 1HD PHE 49 4.435 -3.464 8.223 379 HE1 PHE 49 2HE PHE 49 -0.275 -4.799 8.656 380 HE2 PHE 49 1HE PHE 49 3.676 -4.643 10.250 381 HZ PHE 49 HZ PHE 49 1.312 -5.305 10.474 382 H ALA 50 H ALA 50 1.693 -1.647 3.324 383 HA ALA 50 HA ALA 50 4.177 -1.376 1.818 384 HB1 ALA 50 1HB ALA 50 3.207 -2.978 0.432 385 HB2 ALA 50 2HB ALA 50 2.811 -1.446 -0.348 386 HB3 ALA 50 3HB ALA 50 1.592 -2.290 0.609 387 H PHE 51 H PHE 51 3.950 0.398 0.128 388 HA PHE 51 HA PHE 51 2.252 2.575 1.168 389 HB2 PHE 51 2HB PHE 51 5.149 2.483 0.543 390 HB3 PHE 51 1HB PHE 51 4.294 3.924 0.005 391 HD1 PHE 51 2HD PHE 51 3.221 5.412 1.643 392 HD2 PHE 51 1HD PHE 51 5.579 2.078 2.844 393 HE1 PHE 51 2HE PHE 51 3.405 6.361 3.906 394 HE2 PHE 51 1HE PHE 51 5.769 3.022 5.108 395 HZ PHE 51 HZ PHE 51 4.683 5.166 5.641 396 H VAL 52 H VAL 52 0.895 3.432 -0.298 397 HA VAL 52 HA VAL 52 1.395 2.823 -3.139 398 HB VAL 52 HB VAL 52 -1.266 3.555 -1.898 399 HG11 VAL 52 1HG1 VAL 52 -2.211 2.738 -3.959 400 HG12 VAL 52 2HG1 VAL 52 -0.616 2.257 -4.542 401 HG13 VAL 52 3HG1 VAL 52 -0.999 3.965 -4.325 402 HG21 VAL 52 3HG2 VAL 52 -1.656 1.012 -2.386 403 HG22 VAL 52 1HG2 VAL 52 -0.896 1.527 -0.879 404 HG23 VAL 52 2HG2 VAL 52 0.096 0.918 -2.205 405 H GLU 53 H GLU 53 1.890 4.475 -4.444 406 HA GLU 53 HA GLU 53 1.278 7.200 -3.520 407 HB2 GLU 53 2HB GLU 53 3.642 6.960 -3.648 408 HB3 GLU 53 1HB GLU 53 3.548 6.111 -5.180 409 HG2 GLU 53 2HG GLU 53 3.849 7.999 -6.258 410 HG3 GLU 53 1HG GLU 53 2.373 8.656 -5.554 411 H PHE 54 H PHE 54 0.127 8.526 -4.842 412 HA PHE 54 HA PHE 54 -0.772 7.362 -7.379 413 HB2 PHE 54 2HB PHE 54 -2.197 9.182 -5.440 414 HB3 PHE 54 1HB PHE 54 -2.806 8.808 -7.050 415 HD1 PHE 54 1HD PHE 54 -1.720 7.182 -3.886 416 HD2 PHE 54 2HD PHE 54 -4.126 6.951 -7.383 417 HE1 PHE 54 1HE PHE 54 -2.781 5.139 -3.015 418 HE2 PHE 54 2HE PHE 54 -5.196 4.912 -6.520 419 HZ PHE 54 HZ PHE 54 -4.522 4.005 -4.333 420 H GLU 55 H GLU 55 -1.271 8.806 -9.086 421 HA GLU 55 HA GLU 55 0.744 10.817 -9.430 422 HB2 GLU 55 2HB GLU 55 -0.495 9.180 -11.165 423 HB3 GLU 55 1HB GLU 55 -1.518 10.597 -11.352 424 HG2 GLU 55 2HG GLU 55 0.977 11.687 -11.501 425 HG3 GLU 55 1HG GLU 55 1.219 10.114 -12.258 426 H LEU 56 H LEU 56 -2.640 10.661 -8.687 427 HA LEU 56 HA LEU 56 -2.763 13.604 -8.556 428 HB2 LEU 56 2HB LEU 56 -4.960 11.583 -8.961 429 HB3 LEU 56 1HB LEU 56 -5.214 13.311 -8.804 430 HG LEU 56 HG LEU 56 -3.618 12.014 -11.015 431 HD11 LEU 56 1HD1 LEU 56 -5.744 11.306 -11.522 432 HD12 LEU 56 2HD1 LEU 56 -5.707 12.872 -12.331 433 HD13 LEU 56 3HD1 LEU 56 -6.509 12.705 -10.769 434 HD21 LEU 56 3HD2 LEU 56 -3.121 14.416 -10.360 435 HD22 LEU 56 1HD2 LEU 56 -4.749 14.799 -10.917 436 HD23 LEU 56 2HD2 LEU 56 -3.566 14.134 -12.042 437 H ALA 57 H ALA 57 -2.997 14.472 -6.603 438 HA ALA 57 HA ALA 57 -2.898 12.990 -4.252 439 HB1 ALA 57 1HB ALA 57 -2.134 15.184 -4.104 440 HB2 ALA 57 2HB ALA 57 -3.641 15.201 -3.187 441 HB3 ALA 57 3HB ALA 57 -3.602 15.843 -4.829 442 H GLU 58 H GLU 58 -5.688 14.478 -5.861 443 HA GLU 58 HA GLU 58 -7.571 13.865 -3.856 444 HB2 GLU 58 2HB GLU 58 -7.643 15.335 -6.128 445 HB3 GLU 58 1HB GLU 58 -8.523 13.907 -6.657 446 HG2 GLU 58 2HG GLU 58 -10.334 14.459 -5.491 447 HG3 GLU 58 1HG GLU 58 -9.394 14.846 -4.051 448 H ASP 59 H ASP 59 -6.238 12.001 -6.493 449 HA ASP 59 HA ASP 59 -8.192 9.970 -6.574 450 HB2 ASP 59 2HB ASP 59 -5.413 10.299 -7.551 451 HB3 ASP 59 1HB ASP 59 -6.009 8.650 -7.402 452 H ALA 60 H ALA 60 -5.297 10.396 -4.608 453 HA ALA 60 HA ALA 60 -5.146 7.829 -3.510 454 HB1 ALA 60 1HB ALA 60 -3.479 8.676 -2.274 455 HB2 ALA 60 2HB ALA 60 -4.478 9.987 -1.646 456 HB3 ALA 60 3HB ALA 60 -3.719 10.138 -3.229 457 H ALA 61 H ALA 61 -6.950 10.687 -2.410 458 HA ALA 61 HA ALA 61 -7.976 9.706 -0.028 459 HB1 ALA 61 1HB ALA 61 -9.669 11.376 -1.846 460 HB2 ALA 61 2HB ALA 61 -8.208 12.043 -1.118 461 HB3 ALA 61 3HB ALA 61 -9.511 11.445 -0.091 462 H ALA 62 H ALA 62 -8.965 9.084 -3.317 463 HA ALA 62 HA ALA 62 -11.433 7.820 -2.716 464 HB1 ALA 62 1HB ALA 62 -11.034 6.769 -5.049 465 HB2 ALA 62 2HB ALA 62 -9.653 7.862 -5.125 466 HB3 ALA 62 3HB ALA 62 -11.280 8.512 -4.928 467 H ALA 63 H ALA 63 -8.142 6.623 -3.304 468 HA ALA 63 HA ALA 63 -8.730 3.872 -3.016 469 HB1 ALA 63 1HB ALA 63 -6.113 4.255 -2.093 470 HB2 ALA 63 2HB ALA 63 -6.372 5.524 -3.290 471 HB3 ALA 63 3HB ALA 63 -6.611 3.835 -3.731 472 H ILE 64 H ILE 64 -8.042 6.472 -0.827 473 HA ILE 64 HA ILE 64 -7.652 5.004 1.553 474 HB ILE 64 HB ILE 64 -8.577 7.825 1.013 475 HG12 ILE 64 2HG1 ILE 64 -5.900 6.761 1.937 476 HG13 ILE 64 1HG1 ILE 64 -6.284 7.255 0.293 477 HG21 ILE 64 1HG2 ILE 64 -7.476 6.971 3.666 478 HG22 ILE 64 2HG2 ILE 64 -9.193 6.777 3.328 479 HG23 ILE 64 3HG2 ILE 64 -8.459 8.375 3.264 480 HD11 ILE 64 3HD1 ILE 64 -5.288 8.827 2.371 481 HD12 ILE 64 1HD1 ILE 64 -6.948 9.358 2.110 482 HD13 ILE 64 2HD1 ILE 64 -5.802 9.355 0.769 483 H ASP 65 H ASP 65 -10.473 6.779 0.294 484 HA ASP 65 HA ASP 65 -12.202 5.845 2.363 485 HB2 ASP 65 2HB ASP 65 -12.551 7.467 -0.129 486 HB3 ASP 65 1HB ASP 65 -13.971 6.840 0.705 487 H ASN 66 H ASN 66 -11.113 4.451 -0.536 488 HA ASN 66 HA ASN 66 -13.505 2.755 -0.765 489 HB2 ASN 66 2HB ASN 66 -11.298 3.477 -2.618 490 HB3 ASN 66 1HB ASN 66 -11.994 1.874 -2.791 491 HD21 ASN 66 1HD2 ASN 66 -12.575 2.748 -4.908 492 HD22 ASN 66 2HD2 ASN 66 -14.058 3.622 -5.057 493 H MET 67 H MET 67 -10.056 2.577 -0.100 494 HA MET 67 HA MET 67 -10.183 -0.313 0.165 495 HB2 MET 67 2HB MET 67 -8.255 1.237 -0.810 496 HB3 MET 67 1HB MET 67 -7.734 1.206 0.867 497 HG2 MET 67 2HG MET 67 -6.591 -0.587 0.109 498 HG3 MET 67 1HG MET 67 -8.096 -1.390 0.554 499 HE1 MET 67 3HE MET 67 -9.715 -2.285 -0.780 500 HE2 MET 67 1HE MET 67 -9.604 -2.690 -2.492 501 HE3 MET 67 2HE MET 67 -10.194 -1.103 -1.998 502 H ASN 68 H ASN 68 -10.273 2.471 2.251 503 HA ASN 68 HA ASN 68 -9.234 1.361 4.595 504 HB2 ASN 68 2HB ASN 68 -9.862 3.772 4.274 505 HB3 ASN 68 1HB ASN 68 -11.547 3.304 4.487 506 HD21 ASN 68 1HD2 ASN 68 -12.283 2.756 6.515 507 HD22 ASN 68 2HD2 ASN 68 -11.356 3.018 7.949 508 H GLU 69 H GLU 69 -9.813 -0.465 5.516 509 HA GLU 69 HA GLU 69 -11.077 -2.046 6.557 510 HB2 GLU 69 2HB GLU 69 -12.511 0.206 7.010 511 HB3 GLU 69 1HB GLU 69 -13.682 -0.723 6.084 512 HG2 GLU 69 2HG GLU 69 -13.779 -2.418 7.674 513 HG3 GLU 69 1HG GLU 69 -12.260 -1.931 8.423 514 H SER 70 H SER 70 -10.376 -2.621 4.086 515 HA SER 70 HA SER 70 -12.801 -3.742 2.835 516 HB2 SER 70 2HB SER 70 -10.544 -2.260 1.686 517 HB3 SER 70 1HB SER 70 -10.917 -3.752 0.826 518 HG SER 70 HG SER 70 -12.253 -2.307 -0.076 519 H GLU 71 H GLU 71 -11.768 -5.527 1.113 520 HA GLU 71 HA GLU 71 -10.207 -7.365 2.811 521 HB2 GLU 71 2HB GLU 71 -12.814 -7.711 2.040 522 HB3 GLU 71 1HB GLU 71 -11.949 -8.601 0.796 523 HG2 GLU 71 2HG GLU 71 -11.109 -10.139 2.287 524 HG3 GLU 71 1HG GLU 71 -11.270 -9.047 3.664 525 H LEU 72 H LEU 72 -8.363 -8.096 1.968 526 HA LEU 72 HA LEU 72 -8.083 -8.260 -0.943 527 HB2 LEU 72 2HB LEU 72 -7.043 -6.127 0.346 528 HB3 LEU 72 1HB LEU 72 -5.700 -7.246 0.479 529 HG LEU 72 HG LEU 72 -5.901 -7.556 -2.045 530 HD11 LEU 72 1HD1 LEU 72 -8.225 -6.272 -1.848 531 HD12 LEU 72 2HD1 LEU 72 -7.238 -6.236 -3.309 532 HD13 LEU 72 3HD1 LEU 72 -7.179 -4.890 -2.171 533 HD21 LEU 72 3HD2 LEU 72 -4.021 -6.386 -1.533 534 HD22 LEU 72 1HD2 LEU 72 -4.891 -5.176 -0.596 535 HD23 LEU 72 2HD2 LEU 72 -4.914 -5.107 -2.356 536 H PHE 73 H PHE 73 -7.356 -10.212 -1.490 537 HA PHE 73 HA PHE 73 -6.457 -12.302 -1.334 538 HB2 PHE 73 2HB PHE 73 -4.453 -10.832 0.394 539 HB3 PHE 73 1HB PHE 73 -4.240 -12.468 -0.214 540 HD1 PHE 73 1HD PHE 73 -4.573 -12.646 -2.873 541 HD2 PHE 73 2HD PHE 73 -3.427 -9.144 -0.749 542 HE1 PHE 73 1HE PHE 73 -3.514 -11.761 -4.906 543 HE2 PHE 73 2HE PHE 73 -2.378 -8.254 -2.774 544 HZ PHE 73 HZ PHE 73 -2.409 -9.566 -4.854 545 H GLY 74 H GLY 74 -8.562 -11.677 0.440 546 HA2 GLY 74 2HA GLY 74 -9.663 -12.681 2.190 547 HA3 GLY 74 1HA GLY 74 -8.334 -13.827 2.286 548 H ARG 75 H ARG 75 -7.414 -10.539 2.474 549 HA ARG 75 HA ARG 75 -7.263 -10.704 5.401 550 HB2 ARG 75 2HB ARG 75 -5.206 -9.365 3.657 551 HB3 ARG 75 1HB ARG 75 -5.093 -9.726 5.372 552 HG2 ARG 75 2HG ARG 75 -5.540 -12.097 3.754 553 HG3 ARG 75 1HG ARG 75 -4.062 -11.234 3.321 554 HD2 ARG 75 2HD ARG 75 -3.086 -11.608 5.348 555 HD3 ARG 75 1HD ARG 75 -4.628 -11.661 6.196 556 HE ARG 75 HE ARG 75 -3.797 -13.865 4.435 557 HH11 ARG 75 1HH1 ARG 75 -4.781 -12.715 7.590 558 HH12 ARG 75 2HH1 ARG 75 -4.977 -14.306 8.237 559 HH21 ARG 75 1HH2 ARG 75 -4.053 -15.948 5.300 560 HH22 ARG 75 2HH2 ARG 75 -4.563 -16.136 6.944 561 H THR 76 H THR 76 -7.540 -8.837 6.550 562 HA THR 76 HA THR 76 -9.074 -6.780 5.230 563 HB THR 76 HB THR 76 -8.235 -6.742 8.120 564 HG1 THR 76 1HG THR 76 -10.463 -8.139 7.066 565 HG21 THR 76 3HG2 THR 76 -10.035 -5.408 8.521 566 HG22 THR 76 1HG2 THR 76 -10.941 -6.022 7.137 567 HG23 THR 76 2HG2 THR 76 -9.612 -4.889 6.888 568 H ILE 77 H ILE 77 -8.188 -5.017 4.387 569 HA ILE 77 HA ILE 77 -5.550 -4.172 5.359 570 HB ILE 77 HB ILE 77 -5.327 -3.000 3.168 571 HG12 ILE 77 2HG1 ILE 77 -7.825 -4.575 2.494 572 HG13 ILE 77 1HG1 ILE 77 -7.702 -2.823 2.600 573 HG21 ILE 77 1HG2 ILE 77 -4.699 -4.957 1.938 574 HG22 ILE 77 2HG2 ILE 77 -5.781 -5.967 2.898 575 HG23 ILE 77 3HG2 ILE 77 -4.359 -5.240 3.645 576 HD11 ILE 77 3HD1 ILE 77 -6.073 -4.429 0.670 577 HD12 ILE 77 1HD1 ILE 77 -6.393 -2.698 0.659 578 HD13 ILE 77 2HD1 ILE 77 -7.688 -3.837 0.290 579 H ARG 78 H ARG 78 -5.125 -1.971 5.574 580 HA ARG 78 HA ARG 78 -7.451 -0.178 5.686 581 HB2 ARG 78 2HB ARG 78 -6.904 -1.002 7.971 582 HB3 ARG 78 1HB ARG 78 -5.286 -0.336 7.792 583 HG2 ARG 78 2HG ARG 78 -5.994 1.824 8.002 584 HG3 ARG 78 1HG ARG 78 -7.608 1.472 7.385 585 HD2 ARG 78 2HD ARG 78 -7.243 -0.005 9.785 586 HD3 ARG 78 1HD ARG 78 -6.736 1.656 10.084 587 HE ARG 78 HE ARG 78 -8.915 2.353 9.824 588 HH11 ARG 78 1HH1 ARG 78 -8.642 -0.983 8.827 589 HH12 ARG 78 2HH1 ARG 78 -10.352 -1.221 8.722 590 HH21 ARG 78 1HH2 ARG 78 -11.165 2.039 9.689 591 HH22 ARG 78 2HH2 ARG 78 -11.784 0.494 9.209 592 H VAL 79 H VAL 79 -7.055 1.907 5.005 593 HA VAL 79 HA VAL 79 -4.292 2.459 4.153 594 HB VAL 79 HB VAL 79 -6.880 3.203 2.790 595 HG11 VAL 79 1HG1 VAL 79 -5.679 4.394 1.159 596 HG12 VAL 79 2HG1 VAL 79 -4.126 3.817 1.758 597 HG13 VAL 79 3HG1 VAL 79 -5.057 4.981 2.697 598 HG21 VAL 79 3HG2 VAL 79 -4.625 1.334 2.105 599 HG22 VAL 79 1HG2 VAL 79 -5.823 1.872 0.928 600 HG23 VAL 79 2HG2 VAL 79 -6.330 0.949 2.342 601 H ASN 80 H ASN 80 -3.545 4.627 4.262 602 HA ASN 80 HA ASN 80 -5.187 6.655 5.478 603 HB2 ASN 80 2HB ASN 80 -3.336 5.041 7.075 604 HB3 ASN 80 1HB ASN 80 -3.069 6.773 7.233 605 HD21 ASN 80 1HD2 ASN 80 -4.581 8.032 8.242 606 HD22 ASN 80 2HD2 ASN 80 -5.932 7.379 9.100 607 H LEU 81 H LEU 81 -4.143 8.736 5.588 608 HA LEU 81 HA LEU 81 -2.237 9.082 3.435 609 HB2 LEU 81 2HB LEU 81 -4.233 10.696 4.766 610 HB3 LEU 81 1HB LEU 81 -2.713 11.563 4.662 611 HG LEU 81 HG LEU 81 -4.067 10.306 2.280 612 HD11 LEU 81 1HD1 LEU 81 -4.209 13.133 3.304 613 HD12 LEU 81 2HD1 LEU 81 -5.542 11.991 3.153 614 HD13 LEU 81 3HD1 LEU 81 -4.746 12.614 1.706 615 HD21 LEU 81 3HD2 LEU 81 -2.580 12.105 1.169 616 HD22 LEU 81 1HD2 LEU 81 -1.842 10.598 1.713 617 HD23 LEU 81 2HD2 LEU 81 -1.683 12.059 2.687 618 H ALA 82 H ALA 82 -0.116 9.084 3.749 619 HA ALA 82 HA ALA 82 0.978 9.362 6.420 620 HB1 ALA 82 1HB ALA 82 2.556 9.009 3.885 621 HB2 ALA 82 2HB ALA 82 1.751 7.662 4.692 622 HB3 ALA 82 3HB ALA 82 3.008 8.569 5.532 623 H LYS 83 H LYS 83 2.968 10.759 6.702 624 HA LYS 83 HA LYS 83 2.511 13.358 5.387 625 HB2 LYS 83 2HB LYS 83 3.353 12.615 8.162 626 HB3 LYS 83 1HB LYS 83 3.852 14.164 7.494 627 HG2 LYS 83 2HG LYS 83 1.896 14.631 8.668 628 HG3 LYS 83 1HG LYS 83 1.383 14.545 6.982 629 HD2 LYS 83 2HD LYS 83 0.939 12.025 7.578 630 HD3 LYS 83 1HD LYS 83 0.872 12.649 9.228 631 HE2 LYS 83 2HE LYS 83 -0.685 14.024 7.090 632 HE3 LYS 83 1HE LYS 83 -1.293 12.506 7.752 633 HZ1 LYS 83 3HZ LYS 83 -0.737 15.017 9.230 634 HZ2 LYS 83 1HZ LYS 83 -1.074 13.545 9.992 635 HZ3 LYS 83 2HZ LYS 83 -2.237 14.269 9.000 Start of MODEL 7 1 H1 GLY -2 1HT GLY -2 4.367 17.278 2.256 2 H2 GLY -2 2HT GLY -2 2.804 16.812 1.811 3 H3 GLY -2 3HT GLY -2 3.096 18.392 2.337 4 HA2 GLY -2 1HA GLY -2 4.806 18.288 0.314 5 HA3 GLY -2 2HA GLY -2 3.575 17.173 -0.260 6 H SER -1 H SER -1 4.456 19.990 -1.012 7 HA SER -1 HA SER -1 1.769 21.203 -0.954 8 HB2 SER -1 2HB SER -1 3.121 23.399 -1.293 9 HB3 SER -1 1HB SER -1 3.045 22.691 0.322 10 HG SER -1 HG SER -1 5.116 22.325 0.246 11 H THR 3 H THR 3 2.940 19.340 -2.901 12 HA THR 3 HA THR 3 2.106 20.634 -5.265 13 HB THR 3 HB THR 3 4.179 21.794 -5.270 14 HG1 THR 3 1HG THR 3 4.516 19.532 -6.945 15 HG21 THR 3 3HG2 THR 3 5.586 20.726 -3.761 16 HG22 THR 3 1HG2 THR 3 6.353 20.462 -5.326 17 HG23 THR 3 2HG2 THR 3 5.428 19.167 -4.568 18 H THR 4 H THR 4 0.858 18.779 -5.464 19 HA THR 4 HA THR 4 0.322 16.668 -6.118 20 HB THR 4 HB THR 4 2.921 16.077 -7.369 21 HG1 THR 4 1HG THR 4 3.205 18.065 -7.987 22 HG21 THR 4 3HG2 THR 4 0.467 15.175 -7.824 23 HG22 THR 4 1HG2 THR 4 1.692 15.282 -9.089 24 HG23 THR 4 2HG2 THR 4 0.464 16.539 -8.943 25 H LYS 5 H LYS 5 0.393 15.986 -3.881 26 HA LYS 5 HA LYS 5 2.266 13.801 -3.511 27 HB2 LYS 5 2HB LYS 5 2.829 16.244 -2.313 28 HB3 LYS 5 1HB LYS 5 2.051 15.323 -1.032 29 HG2 LYS 5 2HG LYS 5 4.239 14.752 -0.712 30 HG3 LYS 5 1HG LYS 5 3.713 13.447 -1.776 31 HD2 LYS 5 2HD LYS 5 4.526 14.939 -3.692 32 HD3 LYS 5 1HD LYS 5 5.354 15.874 -2.447 33 HE2 LYS 5 2HE LYS 5 5.908 13.120 -2.007 34 HE3 LYS 5 1HE LYS 5 6.182 13.468 -3.714 35 HZ1 LYS 5 3HZ LYS 5 7.285 15.210 -1.596 36 HZ2 LYS 5 1HZ LYS 5 7.782 15.059 -3.207 37 HZ3 LYS 5 2HZ LYS 5 8.105 13.820 -2.104 38 H ARG 6 H ARG 6 1.108 12.099 -2.899 39 HA ARG 6 HA ARG 6 -0.896 12.293 -0.844 40 HB2 ARG 6 2HB ARG 6 -1.714 12.692 -3.475 41 HB3 ARG 6 1HB ARG 6 -2.169 11.038 -3.105 42 HG2 ARG 6 2HG ARG 6 -4.015 12.379 -2.521 43 HG3 ARG 6 1HG ARG 6 -3.245 11.931 -1.002 44 HD2 ARG 6 2HD ARG 6 -2.286 14.063 -0.738 45 HD3 ARG 6 1HD ARG 6 -2.609 14.505 -2.414 46 HE ARG 6 HE ARG 6 -5.073 14.053 -1.271 47 HH11 ARG 6 1HH1 ARG 6 -2.372 16.184 -0.686 48 HH12 ARG 6 2HH1 ARG 6 -3.351 17.453 -0.030 49 HH21 ARG 6 1HH2 ARG 6 -6.366 15.726 -0.408 50 HH22 ARG 6 2HH2 ARG 6 -5.616 17.193 0.129 51 H VAL 7 H VAL 7 1.150 10.912 -0.353 52 HA VAL 7 HA VAL 7 1.002 8.197 -1.344 53 HB VAL 7 HB VAL 7 2.861 7.820 0.319 54 HG11 VAL 7 1HG1 VAL 7 4.060 8.082 -1.524 55 HG12 VAL 7 2HG1 VAL 7 4.203 9.799 -1.148 56 HG13 VAL 7 3HG1 VAL 7 2.885 9.228 -2.171 57 HG21 VAL 7 3HG2 VAL 7 2.461 9.559 1.902 58 HG22 VAL 7 1HG2 VAL 7 2.597 10.798 0.655 59 HG23 VAL 7 2HG2 VAL 7 4.017 9.874 1.136 60 H LEU 8 H LEU 8 0.120 6.488 -0.291 61 HA LEU 8 HA LEU 8 -1.031 7.013 2.369 62 HB2 LEU 8 2HB LEU 8 -2.088 4.969 0.443 63 HB3 LEU 8 1HB LEU 8 -2.872 5.637 1.859 64 HG LEU 8 HG LEU 8 -2.263 7.268 -0.600 65 HD11 LEU 8 1HD1 LEU 8 -4.443 6.872 -1.388 66 HD12 LEU 8 2HD1 LEU 8 -4.933 6.091 0.115 67 HD13 LEU 8 3HD1 LEU 8 -3.806 5.282 -0.969 68 HD21 LEU 8 3HD2 LEU 8 -4.102 8.678 0.396 69 HD22 LEU 8 1HD2 LEU 8 -2.584 8.658 1.296 70 HD23 LEU 8 2HD2 LEU 8 -3.953 7.698 1.854 71 H TYR 9 H TYR 9 -1.259 5.156 3.787 72 HA TYR 9 HA TYR 9 0.891 3.179 3.356 73 HB2 TYR 9 2HB TYR 9 1.169 4.780 5.301 74 HB3 TYR 9 1HB TYR 9 -0.246 4.024 6.027 75 HD1 TYR 9 1HD TYR 9 -0.072 1.325 6.060 76 HD2 TYR 9 2HD TYR 9 3.221 4.017 6.013 77 HE1 TYR 9 1HE TYR 9 1.358 -0.428 7.010 78 HE2 TYR 9 2HE TYR 9 4.664 2.273 6.972 79 HH TYR 9 HH TYR 9 4.816 -0.005 7.333 80 H VAL 10 H VAL 10 0.398 1.038 3.488 81 HA VAL 10 HA VAL 10 -2.431 0.384 3.989 82 HB VAL 10 HB VAL 10 -0.429 -1.282 2.460 83 HG11 VAL 10 1HG1 VAL 10 -2.538 -2.346 1.594 84 HG12 VAL 10 2HG1 VAL 10 -3.409 -1.457 2.843 85 HG13 VAL 10 3HG1 VAL 10 -2.184 -2.642 3.296 86 HG21 VAL 10 3HG2 VAL 10 -0.953 -0.255 0.517 87 HG22 VAL 10 1HG2 VAL 10 -1.304 1.110 1.577 88 HG23 VAL 10 2HG2 VAL 10 -2.613 0.073 1.010 89 H GLY 11 H GLY 11 -2.900 -0.731 5.758 90 HA2 GLY 11 2HA GLY 11 -0.765 -2.357 6.985 91 HA3 GLY 11 1HA GLY 11 -1.880 -1.393 7.937 92 H GLY 12 H GLY 12 -1.223 -4.459 6.995 93 HA2 GLY 12 2HA GLY 12 -2.696 -6.192 7.929 94 HA3 GLY 12 1HA GLY 12 -4.053 -5.271 7.279 95 H LEU 13 H LEU 13 -0.940 -6.099 5.884 96 HA LEU 13 HA LEU 13 -2.300 -7.132 3.535 97 HB2 LEU 13 2HB LEU 13 0.446 -6.112 4.084 98 HB3 LEU 13 1HB LEU 13 0.097 -6.987 2.627 99 HG LEU 13 HG LEU 13 -1.226 -4.419 3.463 100 HD11 LEU 13 1HD1 LEU 13 0.204 -3.923 1.169 101 HD12 LEU 13 2HD1 LEU 13 1.286 -4.957 2.101 102 HD13 LEU 13 3HD1 LEU 13 0.671 -3.462 2.804 103 HD21 LEU 13 3HD2 LEU 13 -2.107 -6.347 1.658 104 HD22 LEU 13 1HD2 LEU 13 -1.356 -5.108 0.654 105 HD23 LEU 13 2HD2 LEU 13 -2.653 -4.674 1.766 106 H ALA 14 H ALA 14 -1.428 -8.977 2.470 107 HA ALA 14 HA ALA 14 -0.345 -10.992 4.319 108 HB1 ALA 14 1HB ALA 14 -2.152 -12.133 3.630 109 HB2 ALA 14 2HB ALA 14 -1.238 -12.402 2.149 110 HB3 ALA 14 3HB ALA 14 -2.404 -11.081 2.237 111 H GLU 15 H GLU 15 0.863 -12.779 2.905 112 HA GLU 15 HA GLU 15 3.119 -11.424 1.775 113 HB2 GLU 15 2HB GLU 15 2.543 -14.388 1.770 114 HB3 GLU 15 1HB GLU 15 4.107 -13.613 1.557 115 HG2 GLU 15 2HG GLU 15 3.625 -12.622 3.917 116 HG3 GLU 15 1HG GLU 15 2.490 -13.966 4.035 117 H GLU 16 H GLU 16 0.189 -12.000 0.443 118 HA GLU 16 HA GLU 16 1.162 -12.831 -2.173 119 HB2 GLU 16 2HB GLU 16 -1.682 -12.149 -1.924 120 HB3 GLU 16 1HB GLU 16 -0.920 -13.588 -2.588 121 HG2 GLU 16 2HG GLU 16 -0.462 -14.223 -0.149 122 HG3 GLU 16 1HG GLU 16 -1.658 -12.989 0.249 123 H VAL 17 H VAL 17 0.059 -9.981 -0.510 124 HA VAL 17 HA VAL 17 -0.515 -8.467 -2.855 125 HB VAL 17 HB VAL 17 -1.604 -7.899 -0.761 126 HG11 VAL 17 1HG1 VAL 17 1.071 -8.111 0.266 127 HG12 VAL 17 2HG1 VAL 17 -0.463 -8.055 1.128 128 HG13 VAL 17 3HG1 VAL 17 0.363 -6.557 0.706 129 HG21 VAL 17 3HG2 VAL 17 -1.734 -5.789 -1.459 130 HG22 VAL 17 1HG2 VAL 17 -0.328 -6.074 -2.482 131 HG23 VAL 17 2HG2 VAL 17 -0.114 -5.445 -0.853 132 H ASP 18 H ASP 18 0.711 -7.067 -3.911 133 HA ASP 18 HA ASP 18 3.346 -6.323 -2.964 134 HB2 ASP 18 2HB ASP 18 2.893 -8.344 -5.052 135 HB3 ASP 18 1HB ASP 18 3.999 -7.059 -5.527 136 H ASP 19 H ASP 19 4.412 -5.129 -5.080 137 HA ASP 19 HA ASP 19 2.919 -2.763 -5.376 138 HB2 ASP 19 2HB ASP 19 5.373 -2.829 -5.546 139 HB3 ASP 19 1HB ASP 19 5.254 -3.792 -7.012 140 H LYS 20 H LYS 20 3.220 -5.654 -7.241 141 HA LYS 20 HA LYS 20 2.097 -4.826 -9.673 142 HB2 LYS 20 2HB LYS 20 2.015 -7.526 -8.332 143 HB3 LYS 20 1HB LYS 20 1.786 -7.224 -10.053 144 HG2 LYS 20 2HG LYS 20 4.098 -6.389 -10.174 145 HG3 LYS 20 1HG LYS 20 4.296 -6.766 -8.459 146 HD2 LYS 20 2HD LYS 20 4.025 -9.093 -8.854 147 HD3 LYS 20 1HD LYS 20 3.505 -8.815 -10.519 148 HE2 LYS 20 2HE LYS 20 5.712 -7.998 -11.101 149 HE3 LYS 20 1HE LYS 20 6.241 -8.163 -9.428 150 HZ1 LYS 20 3HZ LYS 20 6.908 -10.003 -10.971 151 HZ2 LYS 20 1HZ LYS 20 5.277 -10.455 -11.040 152 HZ3 LYS 20 2HZ LYS 20 6.106 -10.499 -9.566 153 H VAL 21 H VAL 21 0.656 -6.386 -6.844 154 HA VAL 21 HA VAL 21 -1.987 -6.363 -7.909 155 HB VAL 21 HB VAL 21 -0.898 -7.796 -5.913 156 HG11 VAL 21 1HG1 VAL 21 -2.516 -5.721 -4.447 157 HG12 VAL 21 2HG1 VAL 21 -0.756 -5.812 -4.427 158 HG13 VAL 21 3HG1 VAL 21 -1.715 -7.131 -3.759 159 HG21 VAL 21 3HG2 VAL 21 -3.721 -7.476 -5.358 160 HG22 VAL 21 1HG2 VAL 21 -2.856 -8.846 -6.056 161 HG23 VAL 21 2HG2 VAL 21 -3.405 -7.530 -7.093 162 H LEU 22 H LEU 22 -0.207 -4.368 -5.602 163 HA LEU 22 HA LEU 22 -2.326 -2.680 -4.889 164 HB2 LEU 22 2HB LEU 22 0.652 -2.227 -4.980 165 HB3 LEU 22 1HB LEU 22 -0.468 -1.020 -4.373 166 HG LEU 22 HG LEU 22 -0.650 -3.730 -3.193 167 HD11 LEU 22 1HD1 LEU 22 1.712 -3.572 -3.147 168 HD12 LEU 22 2HD1 LEU 22 1.171 -3.060 -1.554 169 HD13 LEU 22 3HD1 LEU 22 1.665 -1.860 -2.746 170 HD21 LEU 22 3HD2 LEU 22 -1.482 -1.061 -2.565 171 HD22 LEU 22 1HD2 LEU 22 -0.529 -1.730 -1.237 172 HD23 LEU 22 2HD2 LEU 22 -1.951 -2.591 -1.825 173 H HIS 23 H HIS 23 -0.076 -2.678 -7.582 174 HA HIS 23 HA HIS 23 -0.674 -0.154 -8.645 175 HB2 HIS 23 2HB HIS 23 0.885 -2.389 -9.358 176 HB3 HIS 23 1HB HIS 23 -0.214 -2.139 -10.705 177 HD1 HIS 23 1HD HIS 23 2.625 -0.506 -8.883 178 HD2 HIS 23 2HD HIS 23 0.243 0.150 -12.225 179 HE1 HIS 23 1HE HIS 23 3.741 1.358 -10.150 180 HE2 HIS 23 2HE HIS 23 2.349 1.650 -12.228 181 H ALA 24 H ALA 24 -1.926 -3.342 -9.553 182 HA ALA 24 HA ALA 24 -3.934 -2.373 -11.286 183 HB1 ALA 24 1HB ALA 24 -4.458 -4.558 -11.684 184 HB2 ALA 24 2HB ALA 24 -4.195 -5.043 -10.010 185 HB3 ALA 24 3HB ALA 24 -2.818 -4.733 -11.065 186 H ALA 25 H ALA 25 -4.045 -3.470 -7.916 187 HA ALA 25 HA ALA 25 -6.861 -3.255 -7.684 188 HB1 ALA 25 1HB ALA 25 -6.156 -3.199 -5.134 189 HB2 ALA 25 2HB ALA 25 -4.631 -3.756 -5.815 190 HB3 ALA 25 3HB ALA 25 -6.109 -4.676 -6.095 191 H PHE 26 H PHE 26 -4.239 -0.995 -7.055 192 HA PHE 26 HA PHE 26 -6.170 0.853 -5.906 193 HB2 PHE 26 2HB PHE 26 -3.166 0.995 -6.078 194 HB3 PHE 26 1HB PHE 26 -4.177 2.245 -5.367 195 HD1 PHE 26 2HD PHE 26 -3.869 -1.498 -5.121 196 HD2 PHE 26 1HD PHE 26 -4.291 2.229 -3.093 197 HE1 PHE 26 2HE PHE 26 -3.842 -2.668 -2.965 198 HE2 PHE 26 1HE PHE 26 -4.259 1.054 -0.932 199 HZ PHE 26 HZ PHE 26 -4.036 -1.396 -0.868 200 H ILE 27 H ILE 27 -4.822 0.214 -8.948 201 HA ILE 27 HA ILE 27 -4.591 2.826 -9.977 202 HB ILE 27 HB ILE 27 -3.870 0.582 -11.058 203 HG12 ILE 27 2HG1 ILE 27 -4.343 1.802 -13.387 204 HG13 ILE 27 1HG1 ILE 27 -4.738 3.126 -12.290 205 HG21 ILE 27 1HG2 ILE 27 -5.811 -0.618 -11.398 206 HG22 ILE 27 2HG2 ILE 27 -5.449 0.042 -12.987 207 HG23 ILE 27 3HG2 ILE 27 -6.697 0.783 -11.993 208 HD11 ILE 27 3HD1 ILE 27 -2.485 2.615 -11.192 209 HD12 ILE 27 1HD1 ILE 27 -2.490 3.435 -12.754 210 HD13 ILE 27 2HD1 ILE 27 -2.132 1.708 -12.665 211 HA PRO 28 HA PRO 28 -9.313 2.239 -11.263 212 HB2 PRO 28 2HB PRO 28 -10.735 1.189 -9.133 213 HB3 PRO 28 1HB PRO 28 -10.281 0.283 -10.580 214 HG2 PRO 28 2HG PRO 28 -8.942 0.376 -7.906 215 HG3 PRO 28 1HG PRO 28 -9.243 -1.017 -8.962 216 HD2 PRO 28 2HD PRO 28 -6.834 0.093 -8.839 217 HD3 PRO 28 1HD PRO 28 -7.488 -0.476 -10.383 218 H PHE 29 H PHE 29 -8.406 2.472 -7.837 219 HA PHE 29 HA PHE 29 -10.140 4.664 -7.272 220 HB2 PHE 29 2HB PHE 29 -7.644 4.125 -5.694 221 HB3 PHE 29 1HB PHE 29 -9.213 4.673 -5.126 222 HD1 PHE 29 1HD PHE 29 -11.089 2.742 -6.068 223 HD2 PHE 29 2HD PHE 29 -7.106 2.145 -4.694 224 HE1 PHE 29 1HE PHE 29 -11.657 0.435 -5.424 225 HE2 PHE 29 2HE PHE 29 -7.663 -0.157 -4.053 226 HZ PHE 29 HZ PHE 29 -9.943 -1.018 -4.416 227 H GLY 30 H GLY 30 -6.965 4.312 -8.603 228 HA2 GLY 30 2HA GLY 30 -6.784 6.842 -9.686 229 HA3 GLY 30 1HA GLY 30 -6.024 6.943 -8.103 230 H ASP 31 H ASP 31 -5.072 6.908 -11.057 231 HA ASP 31 HA ASP 31 -3.499 4.606 -11.369 232 HB2 ASP 31 2HB ASP 31 -2.725 7.264 -12.526 233 HB3 ASP 31 1HB ASP 31 -2.492 5.654 -13.199 234 H ILE 32 H ILE 32 -2.191 3.992 -9.857 235 HA ILE 32 HA ILE 32 -0.777 5.537 -8.022 236 HB ILE 32 HB ILE 32 -0.063 2.831 -9.169 237 HG12 ILE 32 2HG1 ILE 32 -1.177 2.395 -6.703 238 HG13 ILE 32 1HG1 ILE 32 -2.131 3.750 -7.305 239 HG21 ILE 32 1HG2 ILE 32 0.695 3.841 -6.447 240 HG22 ILE 32 2HG2 ILE 32 1.751 4.015 -7.848 241 HG23 ILE 32 3HG2 ILE 32 1.277 2.413 -7.296 242 HD11 ILE 32 3HD1 ILE 32 -2.484 1.062 -7.883 243 HD12 ILE 32 1HD1 ILE 32 -1.785 1.752 -9.345 244 HD13 ILE 32 2HD1 ILE 32 -3.254 2.439 -8.663 245 H THR 33 H THR 33 1.386 6.179 -7.894 246 HA THR 33 HA THR 33 2.783 6.431 -10.469 247 HB THR 33 HB THR 33 3.521 8.249 -8.303 248 HG1 THR 33 1HG THR 33 1.157 8.843 -9.707 249 HG21 THR 33 3HG2 THR 33 2.876 8.743 -11.194 250 HG22 THR 33 1HG2 THR 33 4.486 8.485 -10.522 251 HG23 THR 33 2HG2 THR 33 3.560 9.912 -10.064 252 H ASP 34 H ASP 34 3.065 5.692 -7.069 253 HA ASP 34 HA ASP 34 5.510 4.291 -7.637 254 HB2 ASP 34 2HB ASP 34 5.808 6.866 -6.853 255 HB3 ASP 34 1HB ASP 34 5.810 6.053 -5.290 256 H ILE 35 H ILE 35 6.018 2.688 -6.148 257 HA ILE 35 HA ILE 35 4.398 2.459 -3.737 258 HB ILE 35 HB ILE 35 4.598 0.170 -5.695 259 HG12 ILE 35 2HG1 ILE 35 2.235 1.938 -5.026 260 HG13 ILE 35 1HG1 ILE 35 3.108 1.920 -6.554 261 HG21 ILE 35 1HG2 ILE 35 4.067 -1.103 -3.955 262 HG22 ILE 35 2HG2 ILE 35 2.543 -0.228 -3.814 263 HG23 ILE 35 3HG2 ILE 35 3.955 0.310 -2.906 264 HD11 ILE 35 3HD1 ILE 35 0.901 0.322 -5.732 265 HD12 ILE 35 1HD1 ILE 35 2.284 -0.729 -6.045 266 HD13 ILE 35 2HD1 ILE 35 1.714 0.375 -7.297 267 H GLN 36 H GLN 36 5.770 2.114 -2.125 268 HA GLN 36 HA GLN 36 8.231 0.594 -2.690 269 HB2 GLN 36 2HB GLN 36 7.781 2.870 -0.758 270 HB3 GLN 36 1HB GLN 36 9.252 1.907 -0.823 271 HG2 GLN 36 2HG GLN 36 8.366 3.117 -3.363 272 HG3 GLN 36 1HG GLN 36 8.939 4.227 -2.119 273 HE21 GLN 36 1HE2 GLN 36 11.039 3.516 -1.070 274 HE22 GLN 36 2HE2 GLN 36 12.268 2.931 -2.134 275 H ILE 37 H ILE 37 8.680 -1.131 -1.500 276 HA ILE 37 HA ILE 37 7.032 -1.660 0.887 277 HB ILE 37 HB ILE 37 8.150 -3.720 -1.020 278 HG12 ILE 37 2HG1 ILE 37 5.263 -3.645 -0.836 279 HG13 ILE 37 1HG1 ILE 37 5.885 -2.077 -1.342 280 HG21 ILE 37 1HG2 ILE 37 8.004 -4.749 1.068 281 HG22 ILE 37 2HG2 ILE 37 6.488 -5.182 0.277 282 HG23 ILE 37 3HG2 ILE 37 6.516 -3.899 1.487 283 HD11 ILE 37 3HD1 ILE 37 7.235 -3.375 -3.073 284 HD12 ILE 37 1HD1 ILE 37 5.496 -3.230 -3.322 285 HD13 ILE 37 2HD1 ILE 37 6.174 -4.732 -2.692 286 HA PRO 38 HA PRO 38 11.224 -1.572 2.594 287 HB2 PRO 38 2HB PRO 38 10.515 -1.517 5.193 288 HB3 PRO 38 1HB PRO 38 10.398 -0.088 4.157 289 HG2 PRO 38 2HG PRO 38 8.257 -2.030 4.947 290 HG3 PRO 38 1HG PRO 38 8.203 -0.256 4.943 291 HD2 PRO 38 2HD PRO 38 7.141 -1.732 2.944 292 HD3 PRO 38 1HD PRO 38 7.888 -0.147 2.652 293 H LEU 39 H LEU 39 12.561 -3.120 3.345 294 HA LEU 39 HA LEU 39 11.378 -5.754 3.864 295 HB2 LEU 39 2HB LEU 39 14.266 -5.175 3.245 296 HB3 LEU 39 1HB LEU 39 13.421 -6.706 3.139 297 HG LEU 39 HG LEU 39 12.020 -5.075 1.393 298 HD11 LEU 39 1HD1 LEU 39 14.815 -4.724 0.502 299 HD12 LEU 39 2HD1 LEU 39 14.244 -3.640 1.770 300 HD13 LEU 39 3HD1 LEU 39 13.396 -3.713 0.226 301 HD21 LEU 39 3HD2 LEU 39 12.413 -7.349 0.904 302 HD22 LEU 39 1HD2 LEU 39 14.162 -7.143 0.978 303 HD23 LEU 39 2HD2 LEU 39 13.247 -6.437 -0.354 304 H ASP 40 H ASP 40 13.581 -6.967 5.076 305 HA ASP 40 HA ASP 40 13.391 -5.790 7.747 306 HB2 ASP 40 2HB ASP 40 13.759 -8.512 6.673 307 HB3 ASP 40 1HB ASP 40 14.692 -8.153 8.124 308 H TYR 41 H TYR 41 15.617 -6.119 5.180 309 HA TYR 41 HA TYR 41 17.685 -5.213 4.904 310 HB2 TYR 41 2HB TYR 41 17.801 -3.425 6.278 311 HB3 TYR 41 1HB TYR 41 17.072 -4.271 7.628 312 HD1 TYR 41 2HD TYR 41 18.587 -5.876 8.963 313 HD2 TYR 41 1HD TYR 41 20.076 -2.939 6.269 314 HE1 TYR 41 2HE TYR 41 20.778 -5.979 10.071 315 HE2 TYR 41 1HE TYR 41 22.271 -3.031 7.373 316 HH TYR 41 HH TYR 41 22.988 -5.404 9.860 317 H GLU 42 H GLU 42 17.329 -7.188 7.843 318 HA GLU 42 HA GLU 42 19.904 -8.409 7.490 319 HB2 GLU 42 2HB GLU 42 19.316 -9.749 9.423 320 HB3 GLU 42 1HB GLU 42 18.901 -8.066 9.718 321 HG2 GLU 42 2HG GLU 42 16.573 -9.057 8.692 322 HG3 GLU 42 1HG GLU 42 17.195 -10.430 9.605 323 H THR 43 H THR 43 16.547 -9.304 6.943 324 HA THR 43 HA THR 43 17.446 -11.718 5.512 325 HB THR 43 HB THR 43 15.020 -12.448 5.811 326 HG1 THR 43 1HG THR 43 15.020 -10.473 7.835 327 HG21 THR 43 3HG2 THR 43 16.248 -12.086 8.500 328 HG22 THR 43 1HG2 THR 43 17.046 -13.103 7.300 329 HG23 THR 43 2HG2 THR 43 15.403 -13.478 7.823 330 H GLU 44 H GLU 44 16.027 -8.650 5.191 331 HA GLU 44 HA GLU 44 15.208 -7.476 3.452 332 HB2 GLU 44 2HB GLU 44 17.094 -9.286 2.346 333 HB3 GLU 44 1HB GLU 44 15.747 -9.168 1.222 334 HG2 GLU 44 2HG GLU 44 16.082 -6.577 1.790 335 HG3 GLU 44 1HG GLU 44 17.733 -7.148 2.028 336 H LYS 45 H LYS 45 13.380 -9.039 4.775 337 HA LYS 45 HA LYS 45 11.503 -9.654 2.599 338 HB2 LYS 45 2HB LYS 45 10.579 -11.518 3.933 339 HB3 LYS 45 1HB LYS 45 12.244 -11.792 3.444 340 HG2 LYS 45 2HG LYS 45 13.051 -11.587 5.588 341 HG3 LYS 45 1HG LYS 45 11.678 -10.625 6.130 342 HD2 LYS 45 2HD LYS 45 10.331 -12.809 5.606 343 HD3 LYS 45 1HD LYS 45 11.909 -13.579 5.778 344 HE2 LYS 45 2HE LYS 45 10.396 -11.968 7.820 345 HE3 LYS 45 1HE LYS 45 10.865 -13.666 7.906 346 HZ1 LYS 45 3HZ LYS 45 12.734 -11.356 7.918 347 HZ2 LYS 45 1HZ LYS 45 13.179 -12.985 8.010 348 HZ3 LYS 45 2HZ LYS 45 12.298 -12.278 9.268 349 H HIS 46 H HIS 46 9.717 -8.501 2.724 350 HA HIS 46 HA HIS 46 9.196 -6.732 4.868 351 HB2 HIS 46 2HB HIS 46 6.975 -6.408 3.655 352 HB3 HIS 46 1HB HIS 46 8.429 -6.064 2.728 353 HD1 HIS 46 1HD HIS 46 9.102 -7.856 0.901 354 HD2 HIS 46 2HD HIS 46 5.362 -8.390 2.631 355 HE1 HIS 46 1HE HIS 46 7.887 -9.461 -0.605 356 HE2 HIS 46 2HE HIS 46 5.647 -9.815 0.491 357 H ARG 47 H ARG 47 6.637 -6.755 5.546 358 HA ARG 47 HA ARG 47 6.195 -9.396 6.781 359 HB2 ARG 47 2HB ARG 47 6.459 -6.794 7.978 360 HB3 ARG 47 1HB ARG 47 4.839 -7.409 8.282 361 HG2 ARG 47 2HG ARG 47 5.619 -9.236 9.478 362 HG3 ARG 47 1HG ARG 47 7.241 -9.119 8.787 363 HD2 ARG 47 2HD ARG 47 7.427 -8.336 11.005 364 HD3 ARG 47 1HD ARG 47 7.442 -6.899 9.984 365 HE ARG 47 HE ARG 47 4.816 -7.555 10.898 366 HH11 ARG 47 1HH1 ARG 47 7.805 -6.001 11.807 367 HH12 ARG 47 2HH1 ARG 47 7.053 -4.952 12.962 368 HH21 ARG 47 1HH2 ARG 47 3.826 -6.177 12.416 369 HH22 ARG 47 2HH2 ARG 47 4.794 -5.052 13.309 370 H GLY 48 H GLY 48 4.352 -6.391 6.292 371 HA2 GLY 48 2HA GLY 48 2.532 -7.492 4.434 372 HA3 GLY 48 1HA GLY 48 1.847 -7.590 6.049 373 H PHE 49 H PHE 49 3.950 -5.033 4.813 374 HA PHE 49 HA PHE 49 1.656 -3.227 4.693 375 HB2 PHE 49 2HB PHE 49 4.163 -2.518 6.222 376 HB3 PHE 49 1HB PHE 49 2.648 -1.624 6.163 377 HD1 PHE 49 1HD PHE 49 0.612 -3.499 6.643 378 HD2 PHE 49 2HD PHE 49 4.497 -3.363 8.353 379 HE1 PHE 49 1HE PHE 49 -0.207 -4.774 8.566 380 HE2 PHE 49 2HE PHE 49 3.685 -4.631 10.300 381 HZ PHE 49 HZ PHE 49 1.326 -5.338 10.414 382 H ALA 50 H ALA 50 1.981 -1.365 3.410 383 HA ALA 50 HA ALA 50 4.539 -0.984 2.106 384 HB1 ALA 50 1HB ALA 50 2.319 -2.392 0.791 385 HB2 ALA 50 2HB ALA 50 4.051 -2.446 0.469 386 HB3 ALA 50 3HB ALA 50 3.081 -1.117 -0.161 387 H PHE 51 H PHE 51 4.204 0.702 0.238 388 HA PHE 51 HA PHE 51 2.346 2.779 1.197 389 HB2 PHE 51 2HB PHE 51 5.233 2.835 0.921 390 HB3 PHE 51 1HB PHE 51 4.485 4.083 -0.067 391 HD1 PHE 51 2HD PHE 51 2.711 5.562 1.125 392 HD2 PHE 51 1HD PHE 51 5.646 3.238 3.149 393 HE1 PHE 51 2HE PHE 51 2.461 6.987 3.114 394 HE2 PHE 51 1HE PHE 51 5.402 4.661 5.142 395 HZ PHE 51 HZ PHE 51 3.809 6.538 5.126 396 H VAL 52 H VAL 52 0.990 3.551 -0.303 397 HA VAL 52 HA VAL 52 1.573 2.957 -3.134 398 HB VAL 52 HB VAL 52 -1.146 3.473 -1.919 399 HG11 VAL 52 1HG1 VAL 52 -1.586 3.848 -4.098 400 HG12 VAL 52 2HG1 VAL 52 -1.579 2.088 -4.198 401 HG13 VAL 52 3HG1 VAL 52 -0.138 3.002 -4.645 402 HG21 VAL 52 3HG2 VAL 52 -0.260 0.774 -2.836 403 HG22 VAL 52 1HG2 VAL 52 -1.514 1.212 -1.676 404 HG23 VAL 52 2HG2 VAL 52 0.185 1.328 -1.223 405 H GLU 53 H GLU 53 1.854 4.626 -4.490 406 HA GLU 53 HA GLU 53 1.116 7.312 -3.531 407 HB2 GLU 53 2HB GLU 53 3.480 7.219 -3.714 408 HB3 GLU 53 1HB GLU 53 3.408 6.354 -5.237 409 HG2 GLU 53 2HG GLU 53 3.750 8.296 -6.234 410 HG3 GLU 53 1HG GLU 53 2.105 8.730 -5.779 411 H PHE 54 H PHE 54 -0.101 8.603 -4.817 412 HA PHE 54 HA PHE 54 -1.027 7.427 -7.339 413 HB2 PHE 54 2HB PHE 54 -2.442 9.204 -5.351 414 HB3 PHE 54 1HB PHE 54 -3.074 8.860 -6.959 415 HD1 PHE 54 1HD PHE 54 -2.199 7.379 -3.704 416 HD2 PHE 54 2HD PHE 54 -4.093 6.790 -7.463 417 HE1 PHE 54 1HE PHE 54 -3.203 5.296 -2.868 418 HE2 PHE 54 2HE PHE 54 -5.107 4.711 -6.633 419 HZ PHE 54 HZ PHE 54 -4.660 3.958 -4.332 420 H GLU 55 H GLU 55 -1.482 8.836 -9.068 421 HA GLU 55 HA GLU 55 0.486 10.892 -9.381 422 HB2 GLU 55 2HB GLU 55 -0.426 9.280 -11.175 423 HB3 GLU 55 1HB GLU 55 -1.805 10.366 -11.266 424 HG2 GLU 55 2HG GLU 55 -0.562 11.297 -12.898 425 HG3 GLU 55 1HG GLU 55 0.147 12.159 -11.533 426 H LEU 56 H LEU 56 -2.848 10.714 -8.525 427 HA LEU 56 HA LEU 56 -3.030 13.658 -8.553 428 HB2 LEU 56 2HB LEU 56 -5.183 11.580 -8.908 429 HB3 LEU 56 1HB LEU 56 -5.489 13.302 -8.759 430 HG LEU 56 HG LEU 56 -3.840 12.059 -10.960 431 HD11 LEU 56 1HD1 LEU 56 -6.327 11.449 -10.866 432 HD12 LEU 56 2HD1 LEU 56 -5.699 12.123 -12.369 433 HD13 LEU 56 3HD1 LEU 56 -6.621 13.142 -11.263 434 HD21 LEU 56 3HD2 LEU 56 -4.370 14.306 -12.030 435 HD22 LEU 56 1HD2 LEU 56 -3.192 14.304 -10.717 436 HD23 LEU 56 2HD2 LEU 56 -4.846 14.838 -10.417 437 H ALA 57 H ALA 57 -3.766 14.692 -6.757 438 HA ALA 57 HA ALA 57 -3.439 13.495 -4.243 439 HB1 ALA 57 1HB ALA 57 -4.631 15.590 -3.412 440 HB2 ALA 57 2HB ALA 57 -4.729 16.069 -5.106 441 HB3 ALA 57 3HB ALA 57 -3.156 15.826 -4.348 442 H GLU 58 H GLU 58 -6.372 14.229 -6.102 443 HA GLU 58 HA GLU 58 -8.202 13.380 -4.123 444 HB2 GLU 58 2HB GLU 58 -8.858 14.788 -6.036 445 HB3 GLU 58 1HB GLU 58 -8.555 13.440 -7.125 446 HG2 GLU 58 2HG GLU 58 -10.304 12.149 -5.950 447 HG3 GLU 58 1HG GLU 58 -10.646 13.571 -4.965 448 H ASP 59 H ASP 59 -6.352 11.705 -6.547 449 HA ASP 59 HA ASP 59 -7.786 9.309 -6.672 450 HB2 ASP 59 2HB ASP 59 -5.022 10.170 -7.313 451 HB3 ASP 59 1HB ASP 59 -5.282 8.443 -7.128 452 H ALA 60 H ALA 60 -5.162 10.303 -4.476 453 HA ALA 60 HA ALA 60 -4.872 7.840 -3.156 454 HB1 ALA 60 1HB ALA 60 -3.740 10.370 -2.954 455 HB2 ALA 60 2HB ALA 60 -3.286 8.942 -2.033 456 HB3 ALA 60 3HB ALA 60 -4.456 10.085 -1.374 457 H ALA 61 H ALA 61 -6.906 10.655 -2.417 458 HA ALA 61 HA ALA 61 -8.068 9.764 -0.053 459 HB1 ALA 61 1HB ALA 61 -8.497 11.876 -1.911 460 HB2 ALA 61 2HB ALA 61 -9.031 11.759 -0.234 461 HB3 ALA 61 3HB ALA 61 -10.057 11.147 -1.531 462 H ALA 62 H ALA 62 -8.764 8.958 -3.372 463 HA ALA 62 HA ALA 62 -11.232 7.642 -2.935 464 HB1 ALA 62 1HB ALA 62 -11.201 7.711 -5.158 465 HB2 ALA 62 2HB ALA 62 -9.954 6.466 -5.165 466 HB3 ALA 62 3HB ALA 62 -9.500 8.169 -5.149 467 H ALA 63 H ALA 63 -7.869 6.512 -3.125 468 HA ALA 63 HA ALA 63 -8.451 3.766 -2.690 469 HB1 ALA 63 1HB ALA 63 -6.289 3.648 -3.216 470 HB2 ALA 63 2HB ALA 63 -5.890 4.325 -1.638 471 HB3 ALA 63 3HB ALA 63 -6.111 5.391 -3.025 472 H ILE 64 H ILE 64 -7.941 6.546 -0.683 473 HA ILE 64 HA ILE 64 -7.671 5.282 1.829 474 HB ILE 64 HB ILE 64 -8.674 8.017 1.033 475 HG12 ILE 64 2HG1 ILE 64 -6.008 7.193 2.199 476 HG13 ILE 64 1HG1 ILE 64 -6.304 7.460 0.488 477 HG21 ILE 64 1HG2 ILE 64 -9.445 7.218 3.328 478 HG22 ILE 64 2HG2 ILE 64 -8.547 8.731 3.285 479 HG23 ILE 64 3HG2 ILE 64 -7.745 7.246 3.795 480 HD11 ILE 64 3HD1 ILE 64 -7.212 9.735 1.926 481 HD12 ILE 64 1HD1 ILE 64 -5.910 9.615 0.744 482 HD13 ILE 64 2HD1 ILE 64 -5.580 9.336 2.451 483 H ASP 65 H ASP 65 -10.438 6.807 0.200 484 HA ASP 65 HA ASP 65 -12.289 5.953 2.211 485 HB2 ASP 65 2HB ASP 65 -12.481 7.441 -0.375 486 HB3 ASP 65 1HB ASP 65 -13.949 6.790 0.352 487 H ASN 66 H ASN 66 -10.920 4.414 -0.488 488 HA ASN 66 HA ASN 66 -13.242 2.609 -0.731 489 HB2 ASN 66 2HB ASN 66 -11.006 3.298 -2.594 490 HB3 ASN 66 1HB ASN 66 -11.795 1.736 -2.745 491 HD21 ASN 66 1HD2 ASN 66 -12.589 5.178 -2.426 492 HD22 ASN 66 2HD2 ASN 66 -13.924 5.145 -3.523 493 H MET 67 H MET 67 -9.714 2.531 -0.345 494 HA MET 67 HA MET 67 -9.651 -0.301 0.042 495 HB2 MET 67 2HB MET 67 -7.800 1.378 -0.789 496 HB3 MET 67 1HB MET 67 -7.417 1.462 0.923 497 HG2 MET 67 2HG MET 67 -6.027 -0.217 0.252 498 HG3 MET 67 1HG MET 67 -7.442 -1.138 0.763 499 HE1 MET 67 3HE MET 67 -8.703 -2.445 -0.297 500 HE2 MET 67 1HE MET 67 -8.151 -3.339 -1.714 501 HE3 MET 67 2HE MET 67 -9.360 -2.066 -1.890 502 H ASN 68 H ASN 68 -9.875 2.462 2.194 503 HA ASN 68 HA ASN 68 -9.008 1.279 4.560 504 HB2 ASN 68 2HB ASN 68 -9.778 3.730 4.031 505 HB3 ASN 68 1HB ASN 68 -11.332 3.160 4.623 506 HD21 ASN 68 1HD2 ASN 68 -8.915 4.923 5.555 507 HD22 ASN 68 2HD2 ASN 68 -8.761 4.479 7.219 508 H GLU 69 H GLU 69 -9.676 -0.486 5.496 509 HA GLU 69 HA GLU 69 -10.987 -2.099 6.401 510 HB2 GLU 69 2HB GLU 69 -13.071 0.048 6.050 511 HB3 GLU 69 1HB GLU 69 -13.468 -1.532 6.707 512 HG2 GLU 69 2HG GLU 69 -11.261 -0.736 8.173 513 HG3 GLU 69 1HG GLU 69 -12.198 0.742 7.969 514 H SER 70 H SER 70 -10.289 -2.755 4.015 515 HA SER 70 HA SER 70 -12.739 -3.692 2.668 516 HB2 SER 70 2HB SER 70 -10.564 -2.186 1.597 517 HB3 SER 70 1HB SER 70 -10.530 -3.786 0.860 518 HG SER 70 HG SER 70 -11.901 -2.119 -0.163 519 H GLU 71 H GLU 71 -11.573 -5.508 0.929 520 HA GLU 71 HA GLU 71 -10.130 -7.391 2.659 521 HB2 GLU 71 2HB GLU 71 -12.838 -7.637 2.091 522 HB3 GLU 71 1HB GLU 71 -12.073 -8.726 0.943 523 HG2 GLU 71 2HG GLU 71 -11.001 -9.936 2.706 524 HG3 GLU 71 1HG GLU 71 -11.553 -8.766 3.904 525 H LEU 72 H LEU 72 -8.409 -8.223 1.685 526 HA LEU 72 HA LEU 72 -8.432 -8.577 -1.226 527 HB2 LEU 72 2HB LEU 72 -7.207 -6.413 -0.152 528 HB3 LEU 72 1HB LEU 72 -5.893 -7.571 -0.103 529 HG LEU 72 HG LEU 72 -6.247 -7.963 -2.556 530 HD11 LEU 72 1HD1 LEU 72 -7.443 -5.916 -3.639 531 HD12 LEU 72 2HD1 LEU 72 -8.286 -5.835 -2.092 532 HD13 LEU 72 3HD1 LEU 72 -8.387 -7.295 -3.074 533 HD21 LEU 72 3HD2 LEU 72 -5.715 -5.069 -2.345 534 HD22 LEU 72 1HD2 LEU 72 -4.738 -6.358 -3.049 535 HD23 LEU 72 2HD2 LEU 72 -4.743 -6.111 -1.303 536 H PHE 73 H PHE 73 -7.792 -10.579 -1.723 537 HA PHE 73 HA PHE 73 -6.927 -12.674 -1.523 538 HB2 PHE 73 2HB PHE 73 -4.774 -11.064 -0.143 539 HB3 PHE 73 1HB PHE 73 -4.622 -12.791 -0.448 540 HD1 PHE 73 2HD PHE 73 -5.658 -13.158 -3.097 541 HD2 PHE 73 1HD PHE 73 -3.343 -9.941 -1.546 542 HE1 PHE 73 2HE PHE 73 -4.810 -12.685 -5.357 543 HE2 PHE 73 1HE PHE 73 -2.490 -9.462 -3.804 544 HZ PHE 73 HZ PHE 73 -3.224 -10.836 -5.714 545 H GLY 74 H GLY 74 -8.905 -12.019 0.301 546 HA2 GLY 74 2HA GLY 74 -9.900 -12.894 2.175 547 HA3 GLY 74 1HA GLY 74 -8.571 -14.042 2.253 548 H ARG 75 H ARG 75 -7.644 -10.745 2.241 549 HA ARG 75 HA ARG 75 -7.317 -10.795 5.156 550 HB2 ARG 75 2HB ARG 75 -5.380 -9.822 3.059 551 HB3 ARG 75 1HB ARG 75 -5.186 -9.544 4.785 552 HG2 ARG 75 2HG ARG 75 -5.606 -12.346 3.973 553 HG3 ARG 75 1HG ARG 75 -4.085 -11.606 3.468 554 HD2 ARG 75 2HD ARG 75 -3.788 -10.862 5.849 555 HD3 ARG 75 1HD ARG 75 -5.171 -11.872 6.258 556 HE ARG 75 HE ARG 75 -2.517 -12.778 5.444 557 HH11 ARG 75 1HH1 ARG 75 -5.790 -13.610 6.346 558 HH12 ARG 75 2HH1 ARG 75 -5.404 -15.263 6.681 559 HH21 ARG 75 1HH2 ARG 75 -2.019 -14.950 5.878 560 HH22 ARG 75 2HH2 ARG 75 -3.268 -16.025 6.413 561 H THR 76 H THR 76 -7.794 -8.989 6.273 562 HA THR 76 HA THR 76 -9.173 -6.869 4.865 563 HB THR 76 HB THR 76 -8.655 -7.191 7.830 564 HG1 THR 76 1HG THR 76 -11.031 -7.821 6.433 565 HG21 THR 76 3HG2 THR 76 -9.347 -5.017 7.685 566 HG22 THR 76 1HG2 THR 76 -10.891 -5.856 7.839 567 HG23 THR 76 2HG2 THR 76 -10.338 -5.310 6.255 568 H ILE 77 H ILE 77 -8.162 -5.107 4.165 569 HA ILE 77 HA ILE 77 -5.635 -4.336 5.451 570 HB ILE 77 HB ILE 77 -5.160 -3.141 3.282 571 HG12 ILE 77 2HG1 ILE 77 -7.423 -4.880 2.276 572 HG13 ILE 77 1HG1 ILE 77 -7.503 -3.130 2.466 573 HG21 ILE 77 1HG2 ILE 77 -5.343 -6.123 3.500 574 HG22 ILE 77 2HG2 ILE 77 -3.926 -5.079 3.629 575 HG23 ILE 77 3HG2 ILE 77 -4.679 -5.354 2.058 576 HD11 ILE 77 3HD1 ILE 77 -5.225 -3.643 0.915 577 HD12 ILE 77 1HD1 ILE 77 -6.750 -2.933 0.399 578 HD13 ILE 77 2HD1 ILE 77 -6.506 -4.670 0.278 579 H ARG 78 H ARG 78 -5.168 -2.143 5.695 580 HA ARG 78 HA ARG 78 -7.439 -0.287 5.517 581 HB2 ARG 78 2HB ARG 78 -6.978 0.623 7.689 582 HB3 ARG 78 1HB ARG 78 -7.145 -1.118 7.864 583 HG2 ARG 78 2HG ARG 78 -4.648 -1.268 7.794 584 HG3 ARG 78 1HG ARG 78 -4.605 0.489 7.871 585 HD2 ARG 78 2HD ARG 78 -4.358 -0.160 10.090 586 HD3 ARG 78 1HD ARG 78 -6.073 0.223 9.961 587 HE ARG 78 HE ARG 78 -5.805 -2.488 9.436 588 HH11 ARG 78 1HH1 ARG 78 -5.237 -0.302 12.095 589 HH12 ARG 78 2HH1 ARG 78 -5.540 -1.499 13.309 590 HH21 ARG 78 1HH2 ARG 78 -6.205 -4.068 11.035 591 HH22 ARG 78 2HH2 ARG 78 -6.088 -3.636 12.708 592 H VAL 79 H VAL 79 -6.931 1.729 4.784 593 HA VAL 79 HA VAL 79 -4.078 2.251 4.279 594 HB VAL 79 HB VAL 79 -6.464 3.057 2.615 595 HG11 VAL 79 1HG1 VAL 79 -4.915 4.068 1.065 596 HG12 VAL 79 2HG1 VAL 79 -3.549 3.618 2.085 597 HG13 VAL 79 3HG1 VAL 79 -4.718 4.810 2.652 598 HG21 VAL 79 3HG2 VAL 79 -5.907 0.743 2.305 599 HG22 VAL 79 1HG2 VAL 79 -4.197 1.133 2.125 600 HG23 VAL 79 2HG2 VAL 79 -5.353 1.646 0.895 601 H ASN 80 H ASN 80 -3.337 4.420 4.427 602 HA ASN 80 HA ASN 80 -5.124 6.406 5.578 603 HB2 ASN 80 2HB ASN 80 -2.885 5.088 7.052 604 HB3 ASN 80 1HB ASN 80 -3.177 6.802 7.330 605 HD21 ASN 80 1HD2 ASN 80 -5.278 7.438 8.083 606 HD22 ASN 80 2HD2 ASN 80 -6.222 6.340 9.025 607 H LEU 81 H LEU 81 -4.019 8.553 5.795 608 HA LEU 81 HA LEU 81 -2.142 8.877 3.565 609 HB2 LEU 81 2HB LEU 81 -2.784 11.258 3.594 610 HB3 LEU 81 1HB LEU 81 -4.130 10.183 3.295 611 HG LEU 81 HG LEU 81 -3.610 11.244 6.054 612 HD11 LEU 81 1HD1 LEU 81 -5.330 12.602 3.993 613 HD12 LEU 81 2HD1 LEU 81 -3.698 13.127 4.404 614 HD13 LEU 81 3HD1 LEU 81 -4.966 13.150 5.629 615 HD21 LEU 81 3HD2 LEU 81 -6.354 11.021 5.335 616 HD22 LEU 81 1HD2 LEU 81 -5.449 10.098 6.535 617 HD23 LEU 81 2HD2 LEU 81 -5.538 9.529 4.869 618 H ALA 82 H ALA 82 -0.095 8.893 4.142 619 HA ALA 82 HA ALA 82 0.749 9.720 6.770 620 HB1 ALA 82 1HB ALA 82 3.067 9.307 5.678 621 HB2 ALA 82 2HB ALA 82 2.127 8.600 4.364 622 HB3 ALA 82 3HB ALA 82 2.003 7.937 5.993 623 H LYS 83 H LYS 83 0.057 11.927 6.720 624 HA LYS 83 HA LYS 83 2.079 13.681 5.574 625 HB2 LYS 83 2HB LYS 83 -0.040 13.380 4.040 626 HB3 LYS 83 1HB LYS 83 -0.777 14.487 5.190 627 HG2 LYS 83 2HG LYS 83 1.745 15.558 4.457 628 HG3 LYS 83 1HG LYS 83 0.908 15.072 2.982 629 HD2 LYS 83 2HD LYS 83 -0.931 16.470 3.439 630 HD3 LYS 83 1HD LYS 83 -0.450 16.687 5.124 631 HE2 LYS 83 2HE LYS 83 1.306 18.126 4.557 632 HE3 LYS 83 1HE LYS 83 1.300 17.611 2.870 633 HZ1 LYS 83 3HZ LYS 83 -0.862 18.690 2.606 634 HZ2 LYS 83 1HZ LYS 83 0.328 19.793 3.089 635 HZ3 LYS 83 2HZ LYS 83 -0.804 19.222 4.209 Start of MODEL 8 1 H1 GLY -2 1HT GLY -2 0.217 25.645 -1.737 2 H2 GLY -2 2HT GLY -2 0.632 24.079 -1.253 3 H3 GLY -2 3HT GLY -2 0.590 24.472 -2.897 4 HA2 GLY -2 1HA GLY -2 2.342 26.263 -2.173 5 HA3 GLY -2 2HA GLY -2 2.610 25.110 -0.876 6 H SER -1 H SER -1 3.817 23.335 -1.259 7 HA SER -1 HA SER -1 4.504 22.705 -4.050 8 HB2 SER -1 2HB SER -1 6.255 24.013 -2.475 9 HB3 SER -1 1HB SER -1 6.640 22.353 -2.017 10 HG SER -1 HG SER -1 7.850 23.173 -3.837 11 H THR 3 H THR 3 4.828 21.562 -0.692 12 HA THR 3 HA THR 3 4.281 18.831 -1.657 13 HB THR 3 HB THR 3 5.461 18.187 0.558 14 HG1 THR 3 1HG THR 3 6.181 19.799 1.663 15 HG21 THR 3 3HG2 THR 3 7.782 18.844 -0.574 16 HG22 THR 3 1HG2 THR 3 6.714 19.080 -1.959 17 HG23 THR 3 2HG2 THR 3 6.775 17.514 -1.148 18 H THR 4 H THR 4 2.379 18.035 -1.039 19 HA THR 4 HA THR 4 1.221 18.991 1.493 20 HB THR 4 HB THR 4 -0.501 18.229 -0.845 21 HG1 THR 4 1HG THR 4 0.279 20.890 -0.321 22 HG21 THR 4 3HG2 THR 4 -2.211 19.285 0.224 23 HG22 THR 4 1HG2 THR 4 -1.139 20.371 1.107 24 HG23 THR 4 2HG2 THR 4 -1.296 18.687 1.607 25 H LYS 5 H LYS 5 0.240 16.521 -0.891 26 HA LYS 5 HA LYS 5 0.961 14.331 0.800 27 HB2 LYS 5 2HB LYS 5 -1.882 15.288 0.717 28 HB3 LYS 5 1HB LYS 5 -1.537 13.576 0.902 29 HG2 LYS 5 2HG LYS 5 -1.458 13.970 3.086 30 HG3 LYS 5 1HG LYS 5 0.096 14.744 2.786 31 HD2 LYS 5 2HD LYS 5 -0.895 16.509 3.798 32 HD3 LYS 5 1HD LYS 5 -1.574 16.779 2.194 33 HE2 LYS 5 2HE LYS 5 -3.637 16.441 2.948 34 HE3 LYS 5 1HE LYS 5 -3.182 14.887 3.644 35 HZ1 LYS 5 3HZ LYS 5 -3.779 16.010 5.512 36 HZ2 LYS 5 1HZ LYS 5 -3.322 17.522 4.907 37 HZ3 LYS 5 2HZ LYS 5 -2.145 16.443 5.465 38 H ARG 6 H ARG 6 0.229 12.228 -0.140 39 HA ARG 6 HA ARG 6 -1.054 11.900 -2.557 40 HB2 ARG 6 2HB ARG 6 1.591 13.033 -2.883 41 HB3 ARG 6 1HB ARG 6 1.481 11.469 -3.675 42 HG2 ARG 6 2HG ARG 6 -0.521 12.254 -4.883 43 HG3 ARG 6 1HG ARG 6 -0.317 13.839 -4.139 44 HD2 ARG 6 2HD ARG 6 1.671 12.455 -5.932 45 HD3 ARG 6 1HD ARG 6 0.615 13.788 -6.394 46 HE ARG 6 HE ARG 6 2.102 14.616 -4.191 47 HH11 ARG 6 1HH1 ARG 6 2.644 13.700 -7.514 48 HH12 ARG 6 2HH1 ARG 6 4.044 14.705 -7.694 49 HH21 ARG 6 1HH2 ARG 6 3.949 15.938 -4.430 50 HH22 ARG 6 2HH2 ARG 6 4.785 15.970 -5.946 51 H VAL 7 H VAL 7 1.606 10.877 -0.509 52 HA VAL 7 HA VAL 7 1.434 8.144 -1.413 53 HB VAL 7 HB VAL 7 3.119 7.743 0.422 54 HG11 VAL 7 1HG1 VAL 7 4.338 9.812 -1.269 55 HG12 VAL 7 2HG1 VAL 7 3.451 8.552 -2.127 56 HG13 VAL 7 3HG1 VAL 7 4.775 8.119 -1.048 57 HG21 VAL 7 3HG2 VAL 7 2.829 10.713 0.681 58 HG22 VAL 7 1HG2 VAL 7 4.325 9.891 1.116 59 HG23 VAL 7 2HG2 VAL 7 2.822 9.484 1.941 60 H LEU 8 H LEU 8 0.419 6.498 -0.426 61 HA LEU 8 HA LEU 8 -0.942 7.071 2.127 62 HB2 LEU 8 2HB LEU 8 -1.919 5.036 0.153 63 HB3 LEU 8 1HB LEU 8 -2.803 5.824 1.447 64 HG LEU 8 HG LEU 8 -1.875 7.180 -1.084 65 HD11 LEU 8 1HD1 LEU 8 -4.683 7.140 -0.879 66 HD12 LEU 8 2HD1 LEU 8 -4.128 5.493 -0.575 67 HD13 LEU 8 3HD1 LEU 8 -3.665 6.320 -2.060 68 HD21 LEU 8 3HD2 LEU 8 -3.924 8.627 0.159 69 HD22 LEU 8 1HD2 LEU 8 -2.221 9.069 0.034 70 HD23 LEU 8 2HD2 LEU 8 -2.803 8.191 1.450 71 H TYR 9 H TYR 9 -1.363 5.179 3.491 72 HA TYR 9 HA TYR 9 0.779 3.163 3.231 73 HB2 TYR 9 2HB TYR 9 0.903 4.756 5.203 74 HB3 TYR 9 1HB TYR 9 -0.571 4.003 5.800 75 HD1 TYR 9 1HD TYR 9 -0.386 1.280 5.788 76 HD2 TYR 9 2HD TYR 9 2.858 4.008 6.139 77 HE1 TYR 9 1HE TYR 9 0.962 -0.477 6.851 78 HE2 TYR 9 2HE TYR 9 4.215 2.259 7.212 79 HH TYR 9 HH TYR 9 2.850 -0.810 8.160 80 H VAL 10 H VAL 10 0.245 1.028 3.310 81 HA VAL 10 HA VAL 10 -2.619 0.390 3.608 82 HB VAL 10 HB VAL 10 -0.507 -1.266 2.213 83 HG11 VAL 10 1HG1 VAL 10 -2.088 -2.830 2.643 84 HG12 VAL 10 2HG1 VAL 10 -2.840 -2.126 1.213 85 HG13 VAL 10 3HG1 VAL 10 -3.377 -1.642 2.822 86 HG21 VAL 10 3HG2 VAL 10 -2.681 0.092 0.709 87 HG22 VAL 10 1HG2 VAL 10 -1.046 -0.335 0.201 88 HG23 VAL 10 2HG2 VAL 10 -1.309 1.067 1.238 89 H GLY 11 H GLY 11 -3.196 -0.729 5.386 90 HA2 GLY 11 2HA GLY 11 -1.084 -2.280 6.753 91 HA3 GLY 11 1HA GLY 11 -2.234 -1.292 7.630 92 H GLY 12 H GLY 12 -1.482 -4.366 6.768 93 HA2 GLY 12 2HA GLY 12 -2.915 -6.086 7.822 94 HA3 GLY 12 1HA GLY 12 -4.277 -5.274 7.062 95 H LEU 13 H LEU 13 -1.105 -5.979 5.740 96 HA LEU 13 HA LEU 13 -2.360 -7.278 3.467 97 HB2 LEU 13 2HB LEU 13 0.405 -6.244 3.971 98 HB3 LEU 13 1HB LEU 13 -0.041 -7.082 2.516 99 HG LEU 13 HG LEU 13 -1.305 -4.506 3.424 100 HD11 LEU 13 1HD1 LEU 13 0.415 -3.370 2.623 101 HD12 LEU 13 2HD1 LEU 13 0.301 -4.216 1.079 102 HD13 LEU 13 3HD1 LEU 13 1.283 -4.885 2.383 103 HD21 LEU 13 3HD2 LEU 13 -1.304 -5.587 0.634 104 HD22 LEU 13 1HD2 LEU 13 -2.431 -4.467 1.397 105 HD23 LEU 13 2HD2 LEU 13 -2.477 -6.180 1.809 106 H ALA 14 H ALA 14 -0.662 -8.896 2.439 107 HA ALA 14 HA ALA 14 0.215 -10.827 4.473 108 HB1 ALA 14 1HB ALA 14 -1.997 -11.423 3.343 109 HB2 ALA 14 2HB ALA 14 -0.729 -12.648 3.328 110 HB3 ALA 14 3HB ALA 14 -1.044 -11.686 1.882 111 H GLU 15 H GLU 15 1.402 -12.692 2.904 112 HA GLU 15 HA GLU 15 3.693 -11.245 1.905 113 HB2 GLU 15 2HB GLU 15 3.058 -14.043 2.620 114 HB3 GLU 15 1HB GLU 15 4.270 -13.832 1.363 115 HG2 GLU 15 2HG GLU 15 5.488 -12.302 2.923 116 HG3 GLU 15 1HG GLU 15 4.345 -12.784 4.178 117 H GLU 16 H GLU 16 0.827 -11.893 0.503 118 HA GLU 16 HA GLU 16 1.883 -12.745 -2.080 119 HB2 GLU 16 2HB GLU 16 -0.982 -12.139 -1.912 120 HB3 GLU 16 1HB GLU 16 -0.165 -13.566 -2.528 121 HG2 GLU 16 2HG GLU 16 0.246 -14.128 -0.054 122 HG3 GLU 16 1HG GLU 16 -1.018 -12.939 0.267 123 H VAL 17 H VAL 17 0.537 -9.927 -0.508 124 HA VAL 17 HA VAL 17 -0.056 -8.457 -2.833 125 HB VAL 17 HB VAL 17 -1.033 -7.920 -0.645 126 HG11 VAL 17 1HG1 VAL 17 0.575 -6.431 0.806 127 HG12 VAL 17 2HG1 VAL 17 1.818 -7.421 0.049 128 HG13 VAL 17 3HG1 VAL 17 0.541 -8.182 0.990 129 HG21 VAL 17 3HG2 VAL 17 0.258 -5.369 -1.042 130 HG22 VAL 17 1HG2 VAL 17 -1.399 -5.857 -1.398 131 HG23 VAL 17 2HG2 VAL 17 -0.129 -6.122 -2.587 132 H ASP 18 H ASP 18 1.036 -6.965 -3.902 133 HA ASP 18 HA ASP 18 3.680 -6.109 -3.143 134 HB2 ASP 18 2HB ASP 18 3.194 -7.993 -5.423 135 HB3 ASP 18 1HB ASP 18 4.513 -6.831 -5.507 136 H ASP 19 H ASP 19 4.594 -4.734 -5.048 137 HA ASP 19 HA ASP 19 2.882 -2.574 -5.433 138 HB2 ASP 19 2HB ASP 19 4.582 -1.756 -7.051 139 HB3 ASP 19 1HB ASP 19 5.291 -2.301 -5.533 140 H LYS 20 H LYS 20 3.407 -5.428 -7.329 141 HA LYS 20 HA LYS 20 2.283 -4.541 -9.757 142 HB2 LYS 20 2HB LYS 20 2.947 -6.565 -10.458 143 HB3 LYS 20 1HB LYS 20 3.577 -6.803 -8.840 144 HG2 LYS 20 2HG LYS 20 1.176 -7.696 -8.337 145 HG3 LYS 20 1HG LYS 20 1.101 -7.901 -10.084 146 HD2 LYS 20 2HD LYS 20 2.076 -9.885 -9.709 147 HD3 LYS 20 1HD LYS 20 3.557 -8.957 -9.454 148 HE2 LYS 20 2HE LYS 20 3.168 -8.895 -7.084 149 HE3 LYS 20 1HE LYS 20 1.590 -9.653 -7.275 150 HZ1 LYS 20 3HZ LYS 20 3.041 -11.342 -6.593 151 HZ2 LYS 20 1HZ LYS 20 4.260 -10.868 -7.667 152 HZ3 LYS 20 2HZ LYS 20 2.849 -11.590 -8.255 153 H VAL 21 H VAL 21 0.912 -6.319 -7.024 154 HA VAL 21 HA VAL 21 -1.708 -6.448 -8.152 155 HB VAL 21 HB VAL 21 -0.627 -7.920 -6.261 156 HG11 VAL 21 1HG1 VAL 21 -0.359 -6.005 -4.710 157 HG12 VAL 21 2HG1 VAL 21 -1.272 -7.347 -4.034 158 HG13 VAL 21 3HG1 VAL 21 -2.114 -5.906 -4.597 159 HG21 VAL 21 3HG2 VAL 21 -2.766 -8.384 -7.274 160 HG22 VAL 21 1HG2 VAL 21 -3.528 -7.112 -6.320 161 HG23 VAL 21 2HG2 VAL 21 -2.901 -8.555 -5.523 162 H LEU 22 H LEU 22 -0.142 -4.433 -5.731 163 HA LEU 22 HA LEU 22 -2.377 -2.901 -5.005 164 HB2 LEU 22 2HB LEU 22 0.570 -2.269 -5.014 165 HB3 LEU 22 1HB LEU 22 -0.634 -1.165 -4.377 166 HG LEU 22 HG LEU 22 -0.931 -3.819 -3.249 167 HD11 LEU 22 1HD1 LEU 22 1.207 -4.368 -2.922 168 HD12 LEU 22 2HD1 LEU 22 1.294 -3.006 -1.810 169 HD13 LEU 22 3HD1 LEU 22 1.778 -2.802 -3.492 170 HD21 LEU 22 3HD2 LEU 22 -0.553 -2.351 -1.144 171 HD22 LEU 22 1HD2 LEU 22 -2.012 -2.149 -2.108 172 HD23 LEU 22 2HD2 LEU 22 -0.679 -1.011 -2.284 173 H HIS 23 H HIS 23 -0.074 -2.654 -7.639 174 HA HIS 23 HA HIS 23 -0.762 -0.113 -8.590 175 HB2 HIS 23 2HB HIS 23 0.782 -2.361 -9.482 176 HB3 HIS 23 1HB HIS 23 -0.223 -1.806 -10.813 177 HD1 HIS 23 1HD HIS 23 3.035 -1.402 -9.871 178 HD2 HIS 23 2HD HIS 23 0.029 1.365 -10.631 179 HE1 HIS 23 1HE HIS 23 4.221 0.747 -10.415 180 HE2 HIS 23 2HE HIS 23 2.383 2.374 -10.979 181 H ALA 24 H ALA 24 -1.905 -3.293 -9.641 182 HA ALA 24 HA ALA 24 -3.938 -2.322 -11.341 183 HB1 ALA 24 1HB ALA 24 -3.032 -4.936 -10.364 184 HB2 ALA 24 2HB ALA 24 -3.497 -4.426 -11.986 185 HB3 ALA 24 3HB ALA 24 -4.737 -4.851 -10.807 186 H ALA 25 H ALA 25 -3.954 -3.377 -7.967 187 HA ALA 25 HA ALA 25 -6.788 -3.332 -7.711 188 HB1 ALA 25 1HB ALA 25 -5.916 -3.135 -5.152 189 HB2 ALA 25 2HB ALA 25 -4.508 -3.832 -5.951 190 HB3 ALA 25 3HB ALA 25 -6.068 -4.644 -6.054 191 H PHE 26 H PHE 26 -4.268 -0.945 -7.088 192 HA PHE 26 HA PHE 26 -6.290 0.834 -5.973 193 HB2 PHE 26 2HB PHE 26 -3.290 1.014 -6.076 194 HB3 PHE 26 1HB PHE 26 -4.314 2.304 -5.464 195 HD1 PHE 26 2HD PHE 26 -4.016 -1.410 -5.033 196 HD2 PHE 26 1HD PHE 26 -4.516 2.408 -3.195 197 HE1 PHE 26 2HE PHE 26 -4.047 -2.475 -2.820 198 HE2 PHE 26 1HE PHE 26 -4.541 1.338 -0.980 199 HZ PHE 26 HZ PHE 26 -4.304 -1.103 -0.791 200 H ILE 27 H ILE 27 -4.937 0.217 -8.990 201 HA ILE 27 HA ILE 27 -4.678 2.819 -10.013 202 HB ILE 27 HB ILE 27 -3.953 0.584 -11.085 203 HG12 ILE 27 2HG1 ILE 27 -4.405 1.764 -13.428 204 HG13 ILE 27 1HG1 ILE 27 -4.851 3.099 -12.367 205 HG21 ILE 27 1HG2 ILE 27 -5.527 0.007 -13.009 206 HG22 ILE 27 2HG2 ILE 27 -6.781 0.753 -12.025 207 HG23 ILE 27 3HG2 ILE 27 -5.883 -0.634 -11.410 208 HD11 ILE 27 3HD1 ILE 27 -2.628 3.503 -12.693 209 HD12 ILE 27 1HD1 ILE 27 -2.210 1.791 -12.757 210 HD13 ILE 27 2HD1 ILE 27 -2.586 2.550 -11.210 211 HA PRO 28 HA PRO 28 -9.382 2.343 -11.312 212 HB2 PRO 28 2HB PRO 28 -10.881 1.205 -9.307 213 HB3 PRO 28 1HB PRO 28 -10.340 0.338 -10.748 214 HG2 PRO 28 2HG PRO 28 -9.146 0.377 -8.005 215 HG3 PRO 28 1HG PRO 28 -9.393 -0.997 -9.100 216 HD2 PRO 28 2HD PRO 28 -6.995 0.136 -8.827 217 HD3 PRO 28 1HD PRO 28 -7.558 -0.451 -10.399 218 H PHE 29 H PHE 29 -8.476 2.420 -7.882 219 HA PHE 29 HA PHE 29 -10.223 4.554 -7.186 220 HB2 PHE 29 2HB PHE 29 -7.659 3.993 -5.721 221 HB3 PHE 29 1HB PHE 29 -9.204 4.529 -5.075 222 HD1 PHE 29 2HD PHE 29 -11.018 2.526 -6.303 223 HD2 PHE 29 1HD PHE 29 -7.188 2.077 -4.485 224 HE1 PHE 29 2HE PHE 29 -11.574 0.203 -5.710 225 HE2 PHE 29 1HE PHE 29 -7.743 -0.241 -3.890 226 HZ PHE 29 HZ PHE 29 -9.936 -1.184 -4.502 227 H GLY 30 H GLY 30 -7.090 4.316 -8.630 228 HA2 GLY 30 2HA GLY 30 -6.957 6.819 -9.707 229 HA3 GLY 30 1HA GLY 30 -6.260 7.004 -8.106 230 H ASP 31 H ASP 31 -5.289 6.818 -11.090 231 HA ASP 31 HA ASP 31 -3.611 4.630 -11.339 232 HB2 ASP 31 2HB ASP 31 -2.884 7.339 -12.417 233 HB3 ASP 31 1HB ASP 31 -2.541 5.755 -13.103 234 H ILE 32 H ILE 32 -2.190 3.960 -9.991 235 HA ILE 32 HA ILE 32 -0.842 5.527 -8.068 236 HB ILE 32 HB ILE 32 -0.158 2.806 -9.181 237 HG12 ILE 32 2HG1 ILE 32 -1.238 2.520 -6.633 238 HG13 ILE 32 1HG1 ILE 32 -2.240 3.753 -7.395 239 HG21 ILE 32 1HG2 ILE 32 0.668 3.888 -6.500 240 HG22 ILE 32 2HG2 ILE 32 1.702 3.968 -7.926 241 HG23 ILE 32 3HG2 ILE 32 1.196 2.406 -7.291 242 HD11 ILE 32 3HD1 ILE 32 -3.305 2.207 -8.535 243 HD12 ILE 32 1HD1 ILE 32 -2.356 0.966 -7.727 244 HD13 ILE 32 2HD1 ILE 32 -1.803 1.644 -9.256 245 H THR 33 H THR 33 1.348 6.107 -7.945 246 HA THR 33 HA THR 33 2.716 6.358 -10.538 247 HB THR 33 HB THR 33 3.600 8.151 -8.438 248 HG1 THR 33 1HG THR 33 1.431 8.190 -7.888 249 HG21 THR 33 3HG2 THR 33 4.022 8.241 -10.984 250 HG22 THR 33 1HG2 THR 33 3.746 9.740 -10.094 251 HG23 THR 33 2HG2 THR 33 2.441 9.020 -11.040 252 H ASP 34 H ASP 34 3.041 5.638 -7.128 253 HA ASP 34 HA ASP 34 5.409 4.132 -7.735 254 HB2 ASP 34 2HB ASP 34 5.510 6.716 -6.326 255 HB3 ASP 34 1HB ASP 34 6.401 5.410 -5.550 256 H ILE 35 H ILE 35 5.920 2.559 -6.200 257 HA ILE 35 HA ILE 35 4.265 2.406 -3.796 258 HB ILE 35 HB ILE 35 4.531 0.058 -5.678 259 HG12 ILE 35 2HG1 ILE 35 2.070 1.736 -5.137 260 HG13 ILE 35 1HG1 ILE 35 3.080 1.909 -6.567 261 HG21 ILE 35 1HG2 ILE 35 2.916 0.463 -3.163 262 HG22 ILE 35 2HG2 ILE 35 4.332 -0.573 -3.345 263 HG23 ILE 35 3HG2 ILE 35 2.840 -0.956 -4.204 264 HD11 ILE 35 3HD1 ILE 35 2.010 -0.786 -5.953 265 HD12 ILE 35 1HD1 ILE 35 2.316 -0.011 -7.508 266 HD13 ILE 35 2HD1 ILE 35 0.892 0.435 -6.564 267 H GLN 36 H GLN 36 5.613 2.120 -2.146 268 HA GLN 36 HA GLN 36 8.067 0.552 -2.609 269 HB2 GLN 36 2HB GLN 36 7.640 3.192 -1.369 270 HB3 GLN 36 1HB GLN 36 8.715 2.119 -0.481 271 HG2 GLN 36 2HG GLN 36 9.871 1.783 -2.773 272 HG3 GLN 36 1HG GLN 36 9.033 3.271 -3.218 273 HE21 GLN 36 1HE2 GLN 36 10.048 5.100 -2.809 274 HE22 GLN 36 2HE2 GLN 36 11.345 5.317 -1.689 275 H ILE 37 H ILE 37 8.417 -1.134 -1.344 276 HA ILE 37 HA ILE 37 6.810 -1.419 1.110 277 HB ILE 37 HB ILE 37 7.768 -3.690 -0.634 278 HG12 ILE 37 2HG1 ILE 37 4.884 -3.295 -0.515 279 HG13 ILE 37 1HG1 ILE 37 5.702 -1.907 -1.225 280 HG21 ILE 37 1HG2 ILE 37 7.413 -4.146 1.789 281 HG22 ILE 37 2HG2 ILE 37 6.366 -5.082 0.720 282 HG23 ILE 37 3HG2 ILE 37 5.724 -3.681 1.578 283 HD11 ILE 37 3HD1 ILE 37 5.043 -3.451 -2.947 284 HD12 ILE 37 1HD1 ILE 37 5.903 -4.764 -2.143 285 HD13 ILE 37 2HD1 ILE 37 6.802 -3.411 -2.829 286 HA PRO 38 HA PRO 38 10.965 -1.629 2.808 287 HB2 PRO 38 2HB PRO 38 10.323 -1.513 5.397 288 HB3 PRO 38 1HB PRO 38 10.138 -0.103 4.343 289 HG2 PRO 38 2HG PRO 38 8.069 -2.069 5.253 290 HG3 PRO 38 1HG PRO 38 7.976 -0.298 5.204 291 HD2 PRO 38 2HD PRO 38 6.908 -1.909 3.275 292 HD3 PRO 38 1HD PRO 38 7.495 -0.265 2.954 293 H LEU 39 H LEU 39 12.249 -3.243 3.407 294 HA LEU 39 HA LEU 39 11.056 -5.850 4.003 295 HB2 LEU 39 2HB LEU 39 13.968 -5.356 3.476 296 HB3 LEU 39 1HB LEU 39 13.039 -6.822 3.226 297 HG LEU 39 HG LEU 39 11.840 -4.948 1.554 298 HD11 LEU 39 1HD1 LEU 39 13.346 -3.570 0.648 299 HD12 LEU 39 2HD1 LEU 39 14.604 -4.806 0.626 300 HD13 LEU 39 3HD1 LEU 39 14.301 -3.883 2.098 301 HD21 LEU 39 3HD2 LEU 39 13.937 -6.846 0.591 302 HD22 LEU 39 1HD2 LEU 39 12.386 -6.428 -0.140 303 HD23 LEU 39 2HD2 LEU 39 12.437 -7.445 1.299 304 H ASP 40 H ASP 40 13.293 -7.012 5.230 305 HA ASP 40 HA ASP 40 13.129 -5.730 7.867 306 HB2 ASP 40 2HB ASP 40 12.989 -8.459 6.991 307 HB3 ASP 40 1HB ASP 40 14.351 -8.272 8.093 308 H TYR 41 H TYR 41 15.283 -6.327 5.293 309 HA TYR 41 HA TYR 41 17.398 -5.552 4.963 310 HB2 TYR 41 2HB TYR 41 18.077 -3.883 6.277 311 HB3 TYR 41 1HB TYR 41 16.742 -4.236 7.357 312 HD1 TYR 41 1HD TYR 41 20.284 -5.150 6.673 313 HD2 TYR 41 2HD TYR 41 17.172 -4.881 9.562 314 HE1 TYR 41 1HE TYR 41 21.898 -5.667 8.452 315 HE2 TYR 41 2HE TYR 41 18.778 -5.397 11.350 316 HH TYR 41 HH TYR 41 20.910 -6.383 11.683 317 H GLU 42 H GLU 42 17.018 -7.444 7.962 318 HA GLU 42 HA GLU 42 19.506 -8.824 7.532 319 HB2 GLU 42 2HB GLU 42 17.512 -8.645 9.641 320 HB3 GLU 42 1HB GLU 42 18.033 -10.303 9.381 321 HG2 GLU 42 2HG GLU 42 19.924 -8.007 9.814 322 HG3 GLU 42 1HG GLU 42 19.323 -9.048 11.105 323 H THR 43 H THR 43 16.078 -9.546 7.173 324 HA THR 43 HA THR 43 16.791 -12.033 5.759 325 HB THR 43 HB THR 43 15.367 -12.324 7.756 326 HG1 THR 43 1HG THR 43 13.771 -13.571 6.679 327 HG21 THR 43 3HG2 THR 43 13.245 -10.866 6.231 328 HG22 THR 43 1HG2 THR 43 14.110 -10.216 7.620 329 HG23 THR 43 2HG2 THR 43 13.086 -11.638 7.808 330 H GLU 44 H GLU 44 16.086 -8.946 5.071 331 HA GLU 44 HA GLU 44 14.977 -7.816 3.420 332 HB2 GLU 44 2HB GLU 44 15.628 -8.551 1.190 333 HB3 GLU 44 1HB GLU 44 16.978 -8.660 2.309 334 HG2 GLU 44 2HG GLU 44 17.197 -10.852 1.998 335 HG3 GLU 44 1HG GLU 44 15.464 -11.132 2.141 336 H LYS 45 H LYS 45 13.216 -9.665 4.806 337 HA LYS 45 HA LYS 45 11.359 -10.309 2.596 338 HB2 LYS 45 2HB LYS 45 11.683 -11.646 5.286 339 HB3 LYS 45 1HB LYS 45 10.307 -11.925 4.230 340 HG2 LYS 45 2HG LYS 45 12.156 -12.496 2.470 341 HG3 LYS 45 1HG LYS 45 13.143 -12.759 3.905 342 HD2 LYS 45 2HD LYS 45 10.674 -14.036 4.379 343 HD3 LYS 45 1HD LYS 45 11.156 -14.460 2.736 344 HE2 LYS 45 2HE LYS 45 12.582 -15.952 3.559 345 HE3 LYS 45 1HE LYS 45 13.467 -14.654 4.356 346 HZ1 LYS 45 3HZ LYS 45 11.483 -14.953 6.065 347 HZ2 LYS 45 1HZ LYS 45 12.907 -15.861 6.165 348 HZ3 LYS 45 2HZ LYS 45 11.526 -16.529 5.454 349 H HIS 46 H HIS 46 9.602 -9.096 2.494 350 HA HIS 46 HA HIS 46 9.001 -7.025 4.272 351 HB2 HIS 46 2HB HIS 46 7.082 -8.413 2.389 352 HB3 HIS 46 1HB HIS 46 6.898 -6.798 3.064 353 HD1 HIS 46 1HD HIS 46 9.308 -5.313 2.431 354 HD2 HIS 46 2HD HIS 46 7.869 -8.214 -0.173 355 HE1 HIS 46 1HE HIS 46 10.284 -4.745 0.184 356 HE2 HIS 46 2HE HIS 46 9.451 -6.550 -1.362 357 H ARG 47 H ARG 47 6.667 -6.856 5.233 358 HA ARG 47 HA ARG 47 6.208 -9.269 6.862 359 HB2 ARG 47 2HB ARG 47 7.005 -6.929 7.875 360 HB3 ARG 47 1HB ARG 47 5.278 -6.606 7.819 361 HG2 ARG 47 2HG ARG 47 5.331 -9.079 8.952 362 HG3 ARG 47 1HG ARG 47 6.814 -8.364 9.583 363 HD2 ARG 47 2HD ARG 47 5.679 -6.653 10.665 364 HD3 ARG 47 1HD ARG 47 4.246 -6.827 9.654 365 HE ARG 47 HE ARG 47 4.160 -9.131 10.903 366 HH11 ARG 47 1HH1 ARG 47 4.943 -5.996 12.240 367 HH12 ARG 47 2HH1 ARG 47 4.371 -6.395 13.823 368 HH21 ARG 47 1HH2 ARG 47 3.408 -9.647 12.983 369 HH22 ARG 47 2HH2 ARG 47 3.501 -8.465 14.246 370 H GLY 48 H GLY 48 4.424 -6.292 6.039 371 HA2 GLY 48 2HA GLY 48 2.484 -7.482 4.429 372 HA3 GLY 48 1HA GLY 48 1.892 -7.551 6.082 373 H PHE 49 H PHE 49 3.883 -4.954 4.747 374 HA PHE 49 HA PHE 49 1.541 -3.229 4.567 375 HB2 PHE 49 2HB PHE 49 3.918 -2.421 6.249 376 HB3 PHE 49 1HB PHE 49 2.350 -1.627 6.129 377 HD1 PHE 49 2HD PHE 49 0.356 -3.407 6.568 378 HD2 PHE 49 1HD PHE 49 4.255 -3.542 8.246 379 HE1 PHE 49 2HE PHE 49 -0.496 -4.796 8.395 380 HE2 PHE 49 1HE PHE 49 3.414 -4.937 10.091 381 HZ PHE 49 HZ PHE 49 1.029 -5.562 10.175 382 H ALA 50 H ALA 50 1.856 -1.346 3.345 383 HA ALA 50 HA ALA 50 4.452 -0.807 2.174 384 HB1 ALA 50 1HB ALA 50 3.421 -2.721 0.849 385 HB2 ALA 50 2HB ALA 50 3.970 -1.315 -0.064 386 HB3 ALA 50 3HB ALA 50 2.251 -1.536 0.267 387 H PHE 51 H PHE 51 4.188 0.917 0.377 388 HA PHE 51 HA PHE 51 2.142 2.856 1.236 389 HB2 PHE 51 2HB PHE 51 5.001 3.322 0.378 390 HB3 PHE 51 1HB PHE 51 3.815 4.612 0.525 391 HD1 PHE 51 2HD PHE 51 5.231 1.800 2.520 392 HD2 PHE 51 1HD PHE 51 3.711 5.773 2.500 393 HE1 PHE 51 2HE PHE 51 5.780 2.015 4.908 394 HE2 PHE 51 1HE PHE 51 4.258 6.000 4.889 395 HZ PHE 51 HZ PHE 51 5.294 4.120 6.096 396 H VAL 52 H VAL 52 0.818 3.613 -0.306 397 HA VAL 52 HA VAL 52 1.471 2.992 -3.115 398 HB VAL 52 HB VAL 52 -1.294 3.679 -2.151 399 HG11 VAL 52 1HG1 VAL 52 -1.700 3.462 -4.328 400 HG12 VAL 52 2HG1 VAL 52 -1.380 1.741 -4.150 401 HG13 VAL 52 3HG1 VAL 52 -0.082 2.834 -4.636 402 HG21 VAL 52 3HG2 VAL 52 -1.257 1.863 -0.835 403 HG22 VAL 52 1HG2 VAL 52 0.228 1.250 -1.560 404 HG23 VAL 52 2HG2 VAL 52 -1.324 0.947 -2.338 405 H GLU 53 H GLU 53 1.776 4.644 -4.521 406 HA GLU 53 HA GLU 53 1.073 7.352 -3.597 407 HB2 GLU 53 2HB GLU 53 3.422 7.281 -3.772 408 HB3 GLU 53 1HB GLU 53 3.373 6.311 -5.232 409 HG2 GLU 53 2HG GLU 53 3.483 8.103 -6.498 410 HG3 GLU 53 1HG GLU 53 2.069 8.810 -5.714 411 H PHE 54 H PHE 54 -0.166 8.621 -4.906 412 HA PHE 54 HA PHE 54 -1.103 7.380 -7.392 413 HB2 PHE 54 2HB PHE 54 -2.476 9.152 -5.388 414 HB3 PHE 54 1HB PHE 54 -3.117 8.915 -7.012 415 HD1 PHE 54 1HD PHE 54 -1.820 6.866 -4.176 416 HD2 PHE 54 2HD PHE 54 -4.690 7.284 -7.280 417 HE1 PHE 54 1HE PHE 54 -2.910 4.788 -3.439 418 HE2 PHE 54 2HE PHE 54 -5.794 5.207 -6.552 419 HZ PHE 54 HZ PHE 54 -4.898 3.956 -4.627 420 H GLU 55 H GLU 55 -1.682 8.769 -9.127 421 HA GLU 55 HA GLU 55 0.287 10.794 -9.617 422 HB2 GLU 55 2HB GLU 55 -0.940 9.111 -11.267 423 HB3 GLU 55 1HB GLU 55 -2.104 10.423 -11.379 424 HG2 GLU 55 2HG GLU 55 -0.211 11.932 -12.008 425 HG3 GLU 55 1HG GLU 55 0.815 10.499 -12.093 426 H LEU 56 H LEU 56 -3.066 10.604 -8.757 427 HA LEU 56 HA LEU 56 -3.250 13.546 -8.678 428 HB2 LEU 56 2HB LEU 56 -5.411 11.454 -8.904 429 HB3 LEU 56 1HB LEU 56 -5.707 13.176 -8.767 430 HG LEU 56 HG LEU 56 -4.245 11.835 -11.044 431 HD11 LEU 56 1HD1 LEU 56 -6.333 11.225 -11.619 432 HD12 LEU 56 2HD1 LEU 56 -6.491 12.909 -12.117 433 HD13 LEU 56 3HD1 LEU 56 -7.088 12.396 -10.540 434 HD21 LEU 56 3HD2 LEU 56 -5.134 14.687 -10.625 435 HD22 LEU 56 1HD2 LEU 56 -4.510 14.037 -12.142 436 HD23 LEU 56 2HD2 LEU 56 -3.474 14.097 -10.715 437 H ALA 57 H ALA 57 -3.096 14.361 -6.689 438 HA ALA 57 HA ALA 57 -2.958 12.968 -4.325 439 HB1 ALA 57 1HB ALA 57 -3.647 15.814 -4.937 440 HB2 ALA 57 2HB ALA 57 -2.174 15.149 -4.230 441 HB3 ALA 57 3HB ALA 57 -3.656 15.221 -3.277 442 H GLU 58 H GLU 58 -5.831 14.449 -5.791 443 HA GLU 58 HA GLU 58 -7.578 13.872 -3.645 444 HB2 GLU 58 2HB GLU 58 -7.858 15.461 -5.715 445 HB3 GLU 58 1HB GLU 58 -8.570 14.036 -6.462 446 HG2 GLU 58 2HG GLU 58 -10.343 13.982 -4.966 447 HG3 GLU 58 1HG GLU 58 -9.503 14.987 -3.786 448 H ASP 59 H ASP 59 -6.512 12.028 -6.410 449 HA ASP 59 HA ASP 59 -8.486 10.034 -6.407 450 HB2 ASP 59 2HB ASP 59 -5.813 10.390 -7.550 451 HB3 ASP 59 1HB ASP 59 -6.207 8.715 -7.213 452 H ALA 60 H ALA 60 -5.521 10.401 -4.552 453 HA ALA 60 HA ALA 60 -5.343 7.849 -3.455 454 HB1 ALA 60 1HB ALA 60 -3.816 8.743 -1.944 455 HB2 ALA 60 2HB ALA 60 -4.643 10.297 -1.877 456 HB3 ALA 60 3HB ALA 60 -3.720 9.849 -3.312 457 H ALA 61 H ALA 61 -7.189 10.679 -2.379 458 HA ALA 61 HA ALA 61 -8.130 9.702 0.057 459 HB1 ALA 61 1HB ALA 61 -10.187 11.175 -0.531 460 HB2 ALA 61 2HB ALA 61 -9.232 11.644 -1.938 461 HB3 ALA 61 3HB ALA 61 -8.613 11.941 -0.314 462 H ALA 62 H ALA 62 -9.127 9.062 -3.218 463 HA ALA 62 HA ALA 62 -11.554 7.719 -2.625 464 HB1 ALA 62 1HB ALA 62 -10.465 6.719 -5.050 465 HB2 ALA 62 2HB ALA 62 -10.100 8.441 -4.958 466 HB3 ALA 62 3HB ALA 62 -11.768 7.885 -4.829 467 H ALA 63 H ALA 63 -8.235 6.617 -3.242 468 HA ALA 63 HA ALA 63 -8.738 3.842 -2.991 469 HB1 ALA 63 1HB ALA 63 -6.689 4.600 -3.990 470 HB2 ALA 63 2HB ALA 63 -6.292 3.688 -2.534 471 HB3 ALA 63 3HB ALA 63 -6.230 5.450 -2.516 472 H ILE 64 H ILE 64 -7.990 6.414 -0.783 473 HA ILE 64 HA ILE 64 -7.599 4.933 1.574 474 HB ILE 64 HB ILE 64 -8.541 7.747 1.051 475 HG12 ILE 64 2HG1 ILE 64 -5.896 6.903 2.211 476 HG13 ILE 64 1HG1 ILE 64 -6.164 6.896 0.472 477 HG21 ILE 64 1HG2 ILE 64 -7.462 7.628 3.643 478 HG22 ILE 64 2HG2 ILE 64 -8.593 6.281 3.538 479 HG23 ILE 64 3HG2 ILE 64 -9.141 7.922 3.195 480 HD11 ILE 64 3HD1 ILE 64 -6.946 9.384 1.783 481 HD12 ILE 64 1HD1 ILE 64 -5.984 9.114 0.331 482 HD13 ILE 64 2HD1 ILE 64 -5.231 8.994 1.921 483 H ASP 65 H ASP 65 -10.445 6.646 0.316 484 HA ASP 65 HA ASP 65 -12.186 5.690 2.356 485 HB2 ASP 65 2HB ASP 65 -12.325 7.518 0.110 486 HB3 ASP 65 1HB ASP 65 -13.774 6.522 0.204 487 H ASN 66 H ASN 66 -10.903 4.193 -0.373 488 HA ASN 66 HA ASN 66 -13.252 2.442 -0.676 489 HB2 ASN 66 2HB ASN 66 -11.087 3.290 -2.490 490 HB3 ASN 66 1HB ASN 66 -11.573 1.609 -2.640 491 HD21 ASN 66 1HD2 ASN 66 -12.825 1.463 -4.348 492 HD22 ASN 66 2HD2 ASN 66 -14.164 2.491 -4.717 493 H MET 67 H MET 67 -9.768 2.296 0.003 494 HA MET 67 HA MET 67 -9.931 -0.586 0.310 495 HB2 MET 67 2HB MET 67 -7.759 1.392 0.061 496 HB3 MET 67 1HB MET 67 -7.401 -0.016 1.053 497 HG2 MET 67 2HG MET 67 -8.395 -0.089 -1.785 498 HG3 MET 67 1HG MET 67 -6.721 -0.311 -1.279 499 HE1 MET 67 3HE MET 67 -6.168 -2.721 -2.113 500 HE2 MET 67 1HE MET 67 -6.439 -3.951 -0.879 501 HE3 MET 67 2HE MET 67 -5.713 -2.407 -0.440 502 H ASN 68 H ASN 68 -10.117 2.172 2.369 503 HA ASN 68 HA ASN 68 -9.083 1.120 4.740 504 HB2 ASN 68 2HB ASN 68 -10.307 2.802 5.908 505 HB3 ASN 68 1HB ASN 68 -9.826 3.505 4.372 506 HD21 ASN 68 1HD2 ASN 68 -11.420 3.698 2.716 507 HD22 ASN 68 2HD2 ASN 68 -13.092 3.825 3.128 508 H GLU 69 H GLU 69 -9.620 -0.662 5.752 509 HA GLU 69 HA GLU 69 -10.817 -2.353 6.694 510 HB2 GLU 69 2HB GLU 69 -13.050 -0.355 6.338 511 HB3 GLU 69 1HB GLU 69 -13.290 -1.923 7.095 512 HG2 GLU 69 2HG GLU 69 -11.362 -1.216 8.651 513 HG3 GLU 69 1HG GLU 69 -11.693 0.412 8.062 514 H SER 70 H SER 70 -10.230 -2.564 3.984 515 HA SER 70 HA SER 70 -12.653 -3.768 2.824 516 HB2 SER 70 2HB SER 70 -10.510 -2.201 1.704 517 HB3 SER 70 1HB SER 70 -10.575 -3.764 0.899 518 HG SER 70 HG SER 70 -12.706 -1.917 1.217 519 H GLU 71 H GLU 71 -11.421 -5.507 1.011 520 HA GLU 71 HA GLU 71 -9.956 -7.376 2.748 521 HB2 GLU 71 2HB GLU 71 -12.594 -7.703 1.652 522 HB3 GLU 71 1HB GLU 71 -11.522 -8.912 0.961 523 HG2 GLU 71 2HG GLU 71 -11.276 -10.010 2.913 524 HG3 GLU 71 1HG GLU 71 -11.325 -8.533 3.873 525 H LEU 72 H LEU 72 -8.113 -8.050 1.882 526 HA LEU 72 HA LEU 72 -7.898 -8.290 -1.030 527 HB2 LEU 72 2HB LEU 72 -6.915 -6.078 0.110 528 HB3 LEU 72 1HB LEU 72 -5.545 -7.143 0.372 529 HG LEU 72 HG LEU 72 -5.738 -7.650 -2.162 530 HD11 LEU 72 1HD1 LEU 72 -7.704 -6.706 -2.879 531 HD12 LEU 72 2HD1 LEU 72 -6.549 -5.436 -3.288 532 HD13 LEU 72 3HD1 LEU 72 -7.538 -5.297 -1.834 533 HD21 LEU 72 3HD2 LEU 72 -4.748 -5.023 -2.292 534 HD22 LEU 72 1HD2 LEU 72 -3.834 -6.513 -2.066 535 HD23 LEU 72 2HD2 LEU 72 -4.395 -5.603 -0.665 536 H PHE 73 H PHE 73 -6.922 -10.119 -1.635 537 HA PHE 73 HA PHE 73 -5.935 -12.162 -1.488 538 HB2 PHE 73 2HB PHE 73 -4.134 -10.338 0.017 539 HB3 PHE 73 1HB PHE 73 -3.856 -12.066 0.207 540 HD1 PHE 73 1HD PHE 73 -3.981 -13.368 -2.164 541 HD2 PHE 73 2HD PHE 73 -2.899 -9.291 -1.594 542 HE1 PHE 73 1HE PHE 73 -2.750 -13.402 -4.292 543 HE2 PHE 73 2HE PHE 73 -1.667 -9.320 -3.723 544 HZ PHE 73 HZ PHE 73 -1.588 -11.376 -5.074 545 H GLY 74 H GLY 74 -8.119 -11.491 0.352 546 HA2 GLY 74 2HA GLY 74 -9.292 -12.823 1.852 547 HA3 GLY 74 1HA GLY 74 -7.849 -13.796 2.077 548 H ARG 75 H ARG 75 -7.001 -10.585 2.463 549 HA ARG 75 HA ARG 75 -7.411 -10.754 5.359 550 HB2 ARG 75 2HB ARG 75 -5.004 -10.180 3.752 551 HB3 ARG 75 1HB ARG 75 -5.249 -9.136 5.144 552 HG2 ARG 75 2HG ARG 75 -5.378 -11.105 6.591 553 HG3 ARG 75 1HG ARG 75 -5.102 -12.141 5.188 554 HD2 ARG 75 2HD ARG 75 -2.905 -11.778 5.234 555 HD3 ARG 75 1HD ARG 75 -3.121 -10.037 5.400 556 HE ARG 75 HE ARG 75 -2.657 -10.268 7.614 557 HH11 ARG 75 1HH1 ARG 75 -3.812 -13.341 6.432 558 HH12 ARG 75 2HH1 ARG 75 -3.564 -14.155 7.940 559 HH21 ARG 75 1HH2 ARG 75 -2.327 -11.335 9.596 560 HH22 ARG 75 2HH2 ARG 75 -2.723 -13.017 9.739 561 H THR 76 H THR 76 -7.430 -8.726 6.479 562 HA THR 76 HA THR 76 -8.978 -6.732 5.036 563 HB THR 76 HB THR 76 -8.321 -6.777 7.983 564 HG1 THR 76 1HG THR 76 -10.787 -7.708 7.121 565 HG21 THR 76 3HG2 THR 76 -9.252 -4.688 7.395 566 HG22 THR 76 1HG2 THR 76 -10.539 -5.630 8.150 567 HG23 THR 76 2HG2 THR 76 -10.492 -5.445 6.396 568 H ILE 77 H ILE 77 -8.097 -4.895 4.322 569 HA ILE 77 HA ILE 77 -5.504 -4.085 5.439 570 HB ILE 77 HB ILE 77 -4.960 -3.027 3.330 571 HG12 ILE 77 2HG1 ILE 77 -7.364 -2.536 2.695 572 HG13 ILE 77 1HG1 ILE 77 -6.326 -3.093 1.391 573 HG21 ILE 77 1HG2 ILE 77 -5.830 -5.884 2.945 574 HG22 ILE 77 2HG2 ILE 77 -4.310 -5.342 3.654 575 HG23 ILE 77 3HG2 ILE 77 -4.655 -5.017 1.957 576 HD11 ILE 77 3HD1 ILE 77 -7.426 -5.424 2.327 577 HD12 ILE 77 1HD1 ILE 77 -7.973 -4.508 0.925 578 HD13 ILE 77 2HD1 ILE 77 -8.739 -4.262 2.492 579 H ARG 78 H ARG 78 -5.054 -1.842 5.529 580 HA ARG 78 HA ARG 78 -7.395 -0.069 5.545 581 HB2 ARG 78 2HB ARG 78 -6.813 -0.901 7.869 582 HB3 ARG 78 1HB ARG 78 -5.290 -0.038 7.710 583 HG2 ARG 78 2HG ARG 78 -7.479 1.702 7.056 584 HG3 ARG 78 1HG ARG 78 -7.739 0.956 8.633 585 HD2 ARG 78 2HD ARG 78 -5.108 2.202 7.904 586 HD3 ARG 78 1HD ARG 78 -6.439 3.170 8.529 587 HE ARG 78 HE ARG 78 -6.288 2.003 10.584 588 HH11 ARG 78 1HH1 ARG 78 -3.760 1.126 8.331 589 HH12 ARG 78 2HH1 ARG 78 -2.744 0.451 9.554 590 HH21 ARG 78 1HH2 ARG 78 -4.941 1.118 12.182 591 HH22 ARG 78 2HH2 ARG 78 -3.409 0.444 11.736 592 H VAL 79 H VAL 79 -6.998 1.985 4.799 593 HA VAL 79 HA VAL 79 -4.218 2.530 3.992 594 HB VAL 79 HB VAL 79 -6.784 3.344 2.617 595 HG11 VAL 79 1HG1 VAL 79 -4.077 4.391 2.382 596 HG12 VAL 79 2HG1 VAL 79 -5.592 5.014 1.735 597 HG13 VAL 79 3HG1 VAL 79 -4.701 3.779 0.852 598 HG21 VAL 79 3HG2 VAL 79 -4.624 1.395 1.831 599 HG22 VAL 79 1HG2 VAL 79 -5.991 1.863 0.824 600 HG23 VAL 79 2HG2 VAL 79 -6.266 0.997 2.335 601 H ASN 80 H ASN 80 -3.456 4.691 4.124 602 HA ASN 80 HA ASN 80 -5.098 6.739 5.306 603 HB2 ASN 80 2HB ASN 80 -3.636 7.040 7.290 604 HB3 ASN 80 1HB ASN 80 -4.509 5.511 7.312 605 HD21 ASN 80 1HD2 ASN 80 -1.407 7.028 6.747 606 HD22 ASN 80 2HD2 ASN 80 -0.453 5.608 6.993 607 H LEU 81 H LEU 81 -3.844 8.790 5.629 608 HA LEU 81 HA LEU 81 -2.389 9.381 3.310 609 HB2 LEU 81 2HB LEU 81 -3.366 10.812 5.631 610 HB3 LEU 81 1HB LEU 81 -1.803 11.419 5.130 611 HG LEU 81 HG LEU 81 -3.450 12.740 4.053 612 HD11 LEU 81 1HD1 LEU 81 -2.509 10.776 1.979 613 HD12 LEU 81 2HD1 LEU 81 -1.469 11.993 2.719 614 HD13 LEU 81 3HD1 LEU 81 -2.871 12.488 1.770 615 HD21 LEU 81 3HD2 LEU 81 -5.467 11.977 3.544 616 HD22 LEU 81 1HD2 LEU 81 -4.969 10.360 4.037 617 HD23 LEU 81 2HD2 LEU 81 -4.781 10.869 2.359 618 H ALA 82 H ALA 82 -0.693 10.673 6.038 619 HA ALA 82 HA ALA 82 1.262 8.807 6.555 620 HB1 ALA 82 1HB ALA 82 3.125 9.736 5.068 621 HB2 ALA 82 2HB ALA 82 1.831 10.401 4.072 622 HB3 ALA 82 3HB ALA 82 1.951 8.658 4.314 623 H LYS 83 H LYS 83 1.119 12.222 5.544 624 HA LYS 83 HA LYS 83 1.719 14.149 6.585 625 HB2 LYS 83 2HB LYS 83 1.591 12.580 9.160 626 HB3 LYS 83 1HB LYS 83 1.427 14.319 8.961 627 HG2 LYS 83 2HG LYS 83 -0.611 13.682 7.474 628 HG3 LYS 83 1HG LYS 83 -0.526 12.153 8.351 629 HD2 LYS 83 2HD LYS 83 -0.359 13.804 10.428 630 HD3 LYS 83 1HD LYS 83 -1.225 14.870 9.322 631 HE2 LYS 83 2HE LYS 83 -3.131 13.733 9.570 632 HE3 LYS 83 1HE LYS 83 -2.325 12.181 9.353 633 HZ1 LYS 83 3HZ LYS 83 -3.286 12.283 11.532 634 HZ2 LYS 83 1HZ LYS 83 -2.501 13.743 11.872 635 HZ3 LYS 83 2HZ LYS 83 -1.603 12.322 11.688 Start of MODEL 9 1 H1 GLY -2 1HT GLY -2 3.542 24.431 0.774 2 H2 GLY -2 2HT GLY -2 2.301 24.302 1.915 3 H3 GLY -2 3HT GLY -2 3.415 25.569 2.019 4 HA2 GLY -2 1HA GLY -2 1.528 26.566 1.119 5 HA3 GLY -2 2HA GLY -2 2.605 26.299 -0.243 6 H SER -1 H SER -1 2.286 23.745 -0.926 7 HA SER -1 HA SER -1 -0.608 23.341 -1.273 8 HB2 SER -1 2HB SER -1 1.497 23.639 -3.360 9 HB3 SER -1 1HB SER -1 0.243 22.431 -3.643 10 HG SER -1 HG SER -1 -0.284 24.535 -4.458 11 H THR 3 H THR 3 -0.772 21.055 -2.574 12 HA THR 3 HA THR 3 -0.560 18.790 -2.453 13 HB THR 3 HB THR 3 2.051 18.952 -1.014 14 HG1 THR 3 1HG THR 3 3.072 19.496 -2.982 15 HG21 THR 3 3HG2 THR 3 2.018 16.829 -1.669 16 HG22 THR 3 1HG2 THR 3 2.385 17.451 -3.277 17 HG23 THR 3 2HG2 THR 3 0.714 17.110 -2.823 18 H THR 4 H THR 4 -1.890 17.817 -1.077 19 HA THR 4 HA THR 4 -1.585 18.322 1.797 20 HB THR 4 HB THR 4 -3.915 17.094 0.309 21 HG1 THR 4 1HG THR 4 -3.474 19.359 -0.116 22 HG21 THR 4 3HG2 THR 4 -3.391 16.994 3.020 23 HG22 THR 4 1HG2 THR 4 -4.954 16.765 2.238 24 HG23 THR 4 2HG2 THR 4 -4.496 18.357 2.843 25 H LYS 5 H LYS 5 -1.862 15.690 -0.554 26 HA LYS 5 HA LYS 5 -0.194 13.966 0.911 27 HB2 LYS 5 2HB LYS 5 -1.787 12.273 1.642 28 HB3 LYS 5 1HB LYS 5 -2.116 13.810 2.426 29 HG2 LYS 5 2HG LYS 5 -3.597 13.291 -0.072 30 HG3 LYS 5 1HG LYS 5 -4.005 12.267 1.306 31 HD2 LYS 5 2HD LYS 5 -4.172 14.450 2.637 32 HD3 LYS 5 1HD LYS 5 -4.187 15.254 1.069 33 HE2 LYS 5 2HE LYS 5 -6.277 14.548 0.576 34 HE3 LYS 5 1HE LYS 5 -6.053 12.990 1.370 35 HZ1 LYS 5 3HZ LYS 5 -6.308 14.110 3.513 36 HZ2 LYS 5 1HZ LYS 5 -7.678 14.316 2.541 37 HZ3 LYS 5 2HZ LYS 5 -6.573 15.582 2.727 38 H ARG 6 H ARG 6 0.371 12.131 -0.250 39 HA ARG 6 HA ARG 6 -1.092 11.565 -2.715 40 HB2 ARG 6 2HB ARG 6 1.913 11.836 -2.704 41 HB3 ARG 6 1HB ARG 6 0.857 11.637 -4.092 42 HG2 ARG 6 2HG ARG 6 0.430 14.047 -2.427 43 HG3 ARG 6 1HG ARG 6 1.906 13.980 -3.388 44 HD2 ARG 6 2HD ARG 6 -0.690 13.284 -4.674 45 HD3 ARG 6 1HD ARG 6 -0.318 14.980 -4.377 46 HE ARG 6 HE ARG 6 1.063 13.175 -6.211 47 HH11 ARG 6 1HH1 ARG 6 0.873 16.349 -4.750 48 HH12 ARG 6 2HH1 ARG 6 1.870 17.092 -5.953 49 HH21 ARG 6 1HH2 ARG 6 2.375 14.160 -7.782 50 HH22 ARG 6 2HH2 ARG 6 2.723 15.853 -7.670 51 H VAL 7 H VAL 7 1.565 10.670 -0.568 52 HA VAL 7 HA VAL 7 1.447 7.916 -1.388 53 HB VAL 7 HB VAL 7 3.202 7.615 0.389 54 HG11 VAL 7 1HG1 VAL 7 4.933 8.950 -0.925 55 HG12 VAL 7 2HG1 VAL 7 3.580 9.471 -1.929 56 HG13 VAL 7 3HG1 VAL 7 3.979 7.758 -1.808 57 HG21 VAL 7 3HG2 VAL 7 2.940 10.608 0.547 58 HG22 VAL 7 1HG2 VAL 7 4.326 9.707 1.154 59 HG23 VAL 7 2HG2 VAL 7 2.729 9.441 1.850 60 H LEU 8 H LEU 8 0.440 6.294 -0.359 61 HA LEU 8 HA LEU 8 -0.797 6.888 2.245 62 HB2 LEU 8 2HB LEU 8 -1.867 4.877 0.294 63 HB3 LEU 8 1HB LEU 8 -2.685 5.612 1.660 64 HG LEU 8 HG LEU 8 -1.877 7.112 -0.829 65 HD11 LEU 8 1HD1 LEU 8 -3.938 5.237 -0.543 66 HD12 LEU 8 2HD1 LEU 8 -3.712 6.402 -1.846 67 HD13 LEU 8 3HD1 LEU 8 -4.705 6.820 -0.456 68 HD21 LEU 8 3HD2 LEU 8 -2.045 8.619 0.982 69 HD22 LEU 8 1HD2 LEU 8 -3.490 7.824 1.606 70 HD23 LEU 8 2HD2 LEU 8 -3.568 8.743 0.103 71 H TYR 9 H TYR 9 -1.178 5.010 3.650 72 HA TYR 9 HA TYR 9 0.955 2.989 3.300 73 HB2 TYR 9 2HB TYR 9 1.142 4.582 5.271 74 HB3 TYR 9 1HB TYR 9 -0.301 3.813 5.924 75 HD1 TYR 9 2HD TYR 9 -0.028 1.044 5.769 76 HD2 TYR 9 1HD TYR 9 3.091 3.891 6.267 77 HE1 TYR 9 2HE TYR 9 1.383 -0.696 6.771 78 HE2 TYR 9 1HE TYR 9 4.508 2.162 7.289 79 HH TYR 9 HH TYR 9 4.300 -0.810 6.982 80 H VAL 10 H VAL 10 0.430 0.864 3.351 81 HA VAL 10 HA VAL 10 -2.407 0.202 3.795 82 HB VAL 10 HB VAL 10 -0.392 -1.455 2.276 83 HG11 VAL 10 1HG1 VAL 10 -2.849 -2.134 1.346 84 HG12 VAL 10 2HG1 VAL 10 -3.211 -1.772 3.033 85 HG13 VAL 10 3HG1 VAL 10 -1.999 -2.986 2.632 86 HG21 VAL 10 3HG2 VAL 10 -2.547 0.206 1.008 87 HG22 VAL 10 1HG2 VAL 10 -1.149 -0.556 0.251 88 HG23 VAL 10 2HG2 VAL 10 -0.930 0.849 1.293 89 H GLY 11 H GLY 11 -2.871 -0.943 5.586 90 HA2 GLY 11 2HA GLY 11 -0.695 -2.541 6.789 91 HA3 GLY 11 1HA GLY 11 -1.762 -1.544 7.757 92 H GLY 12 H GLY 12 -1.133 -4.619 6.832 93 HA2 GLY 12 2HA GLY 12 -2.533 -6.317 7.951 94 HA3 GLY 12 1HA GLY 12 -3.926 -5.473 7.281 95 H LEU 13 H LEU 13 -0.892 -6.095 5.667 96 HA LEU 13 HA LEU 13 -2.293 -7.378 3.490 97 HB2 LEU 13 2HB LEU 13 0.510 -6.413 3.883 98 HB3 LEU 13 1HB LEU 13 0.028 -7.278 2.458 99 HG LEU 13 HG LEU 13 -1.193 -4.673 3.332 100 HD11 LEU 13 1HD1 LEU 13 0.507 -4.677 0.955 101 HD12 LEU 13 2HD1 LEU 13 1.373 -4.966 2.464 102 HD13 LEU 13 3HD1 LEU 13 0.394 -3.511 2.274 103 HD21 LEU 13 3HD2 LEU 13 -2.467 -6.297 1.798 104 HD22 LEU 13 1HD2 LEU 13 -1.253 -5.887 0.586 105 HD23 LEU 13 2HD2 LEU 13 -2.288 -4.628 1.263 106 H ALA 14 H ALA 14 -0.621 -9.011 2.355 107 HA ALA 14 HA ALA 14 0.254 -11.022 4.304 108 HB1 ALA 14 1HB ALA 14 -1.855 -11.296 2.296 109 HB2 ALA 14 2HB ALA 14 -1.494 -12.296 3.702 110 HB3 ALA 14 3HB ALA 14 -0.621 -12.550 2.192 111 H GLU 15 H GLU 15 1.307 -12.882 2.609 112 HA GLU 15 HA GLU 15 3.569 -11.436 1.524 113 HB2 GLU 15 2HB GLU 15 3.610 -13.643 2.882 114 HB3 GLU 15 1HB GLU 15 3.196 -14.410 1.353 115 HG2 GLU 15 2HG GLU 15 5.534 -14.552 1.560 116 HG3 GLU 15 1HG GLU 15 5.220 -13.289 0.371 117 H GLU 16 H GLU 16 0.644 -11.975 0.261 118 HA GLU 16 HA GLU 16 1.533 -12.884 -2.364 119 HB2 GLU 16 2HB GLU 16 -1.286 -12.105 -2.039 120 HB3 GLU 16 1HB GLU 16 -0.591 -13.564 -2.731 121 HG2 GLU 16 2HG GLU 16 -0.053 -14.141 -0.250 122 HG3 GLU 16 1HG GLU 16 -1.320 -12.964 0.094 123 H VAL 17 H VAL 17 0.353 -10.002 -0.758 124 HA VAL 17 HA VAL 17 -0.198 -8.506 -3.081 125 HB VAL 17 HB VAL 17 -1.145 -7.965 -0.873 126 HG11 VAL 17 1HG1 VAL 17 1.236 -6.523 0.045 127 HG12 VAL 17 2HG1 VAL 17 1.377 -8.282 0.081 128 HG13 VAL 17 3HG1 VAL 17 0.065 -7.485 0.938 129 HG21 VAL 17 3HG2 VAL 17 0.184 -5.439 -1.277 130 HG22 VAL 17 1HG2 VAL 17 -1.483 -5.897 -1.620 131 HG23 VAL 17 2HG2 VAL 17 -0.226 -6.177 -2.821 132 H ASP 18 H ASP 18 0.926 -7.008 -4.109 133 HA ASP 18 HA ASP 18 3.626 -6.284 -3.384 134 HB2 ASP 18 2HB ASP 18 2.999 -8.215 -5.533 135 HB3 ASP 18 1HB ASP 18 4.107 -6.924 -5.988 136 H ASP 19 H ASP 19 4.506 -4.901 -5.392 137 HA ASP 19 HA ASP 19 2.817 -2.658 -5.571 138 HB2 ASP 19 2HB ASP 19 4.471 -1.834 -7.258 139 HB3 ASP 19 1HB ASP 19 5.204 -2.369 -5.748 140 H LYS 20 H LYS 20 3.256 -5.459 -7.558 141 HA LYS 20 HA LYS 20 2.092 -4.522 -9.941 142 HB2 LYS 20 2HB LYS 20 2.159 -6.753 -10.649 143 HB3 LYS 20 1HB LYS 20 3.479 -6.632 -9.495 144 HG2 LYS 20 2HG LYS 20 2.055 -7.648 -7.777 145 HG3 LYS 20 1HG LYS 20 0.760 -7.808 -8.963 146 HD2 LYS 20 2HD LYS 20 3.342 -8.928 -9.806 147 HD3 LYS 20 1HD LYS 20 2.618 -9.723 -8.409 148 HE2 LYS 20 2HE LYS 20 1.220 -10.813 -9.744 149 HE3 LYS 20 1HE LYS 20 0.570 -9.285 -10.332 150 HZ1 LYS 20 3HZ LYS 20 1.996 -9.274 -12.134 151 HZ2 LYS 20 1HZ LYS 20 1.597 -10.914 -12.004 152 HZ3 LYS 20 2HZ LYS 20 3.087 -10.359 -11.428 153 H VAL 21 H VAL 21 0.706 -6.316 -7.214 154 HA VAL 21 HA VAL 21 -1.922 -6.364 -8.318 155 HB VAL 21 HB VAL 21 -0.868 -7.910 -6.498 156 HG11 VAL 21 1HG1 VAL 21 -0.445 -6.042 -4.931 157 HG12 VAL 21 2HG1 VAL 21 -1.372 -7.367 -4.239 158 HG13 VAL 21 3HG1 VAL 21 -2.184 -5.879 -4.722 159 HG21 VAL 21 3HG2 VAL 21 -2.952 -8.575 -7.167 160 HG22 VAL 21 1HG2 VAL 21 -3.677 -7.002 -6.831 161 HG23 VAL 21 2HG2 VAL 21 -3.310 -8.104 -5.505 162 H LEU 22 H LEU 22 -0.326 -4.446 -5.822 163 HA LEU 22 HA LEU 22 -2.541 -2.878 -5.102 164 HB2 LEU 22 2HB LEU 22 0.426 -2.346 -5.005 165 HB3 LEU 22 1HB LEU 22 -0.756 -1.212 -4.374 166 HG LEU 22 HG LEU 22 -1.075 -3.947 -3.366 167 HD11 LEU 22 1HD1 LEU 22 1.550 -2.654 -3.279 168 HD12 LEU 22 2HD1 LEU 22 1.098 -4.332 -2.977 169 HD13 LEU 22 3HD1 LEU 22 0.932 -3.133 -1.698 170 HD21 LEU 22 3HD2 LEU 22 -0.675 -2.053 -1.309 171 HD22 LEU 22 1HD2 LEU 22 -2.182 -2.794 -1.846 172 HD23 LEU 22 2HD2 LEU 22 -1.644 -1.276 -2.564 173 H HIS 23 H HIS 23 -0.139 -2.616 -7.640 174 HA HIS 23 HA HIS 23 -0.724 -0.060 -8.585 175 HB2 HIS 23 2HB HIS 23 1.205 -1.266 -9.390 176 HB3 HIS 23 1HB HIS 23 0.189 -2.551 -10.034 177 HD1 HIS 23 1HD HIS 23 1.553 -1.958 -12.290 178 HD2 HIS 23 2HD HIS 23 -1.159 0.899 -10.969 179 HE1 HIS 23 1HE HIS 23 1.164 -0.441 -14.256 180 HE2 HIS 23 2HE HIS 23 -0.373 1.356 -13.391 181 H ALA 24 H ALA 24 -1.966 -3.194 -9.669 182 HA ALA 24 HA ALA 24 -3.947 -2.147 -11.392 183 HB1 ALA 24 1HB ALA 24 -3.138 -4.795 -10.423 184 HB2 ALA 24 2HB ALA 24 -3.561 -4.258 -12.047 185 HB3 ALA 24 3HB ALA 24 -4.832 -4.651 -10.890 186 H ALA 25 H ALA 25 -4.057 -3.283 -8.038 187 HA ALA 25 HA ALA 25 -6.878 -3.169 -7.796 188 HB1 ALA 25 1HB ALA 25 -5.795 -2.878 -5.232 189 HB2 ALA 25 2HB ALA 25 -4.676 -3.901 -6.131 190 HB3 ALA 25 3HB ALA 25 -6.374 -4.355 -6.004 191 H PHE 26 H PHE 26 -4.334 -0.831 -7.102 192 HA PHE 26 HA PHE 26 -6.343 0.973 -6.022 193 HB2 PHE 26 2HB PHE 26 -3.339 1.120 -6.098 194 HB3 PHE 26 1HB PHE 26 -4.360 2.393 -5.442 195 HD1 PHE 26 2HD PHE 26 -4.013 -1.339 -5.134 196 HD2 PHE 26 1HD PHE 26 -4.621 2.402 -3.169 197 HE1 PHE 26 2HE PHE 26 -4.040 -2.480 -2.959 198 HE2 PHE 26 1HE PHE 26 -4.643 1.257 -0.996 199 HZ PHE 26 HZ PHE 26 -4.357 -1.188 -0.887 200 H ILE 27 H ILE 27 -5.028 0.338 -9.040 201 HA ILE 27 HA ILE 27 -4.702 2.953 -10.054 202 HB ILE 27 HB ILE 27 -3.995 0.696 -11.117 203 HG12 ILE 27 2HG1 ILE 27 -4.388 1.914 -13.461 204 HG13 ILE 27 1HG1 ILE 27 -4.784 3.250 -12.382 205 HG21 ILE 27 1HG2 ILE 27 -5.947 -0.475 -11.508 206 HG22 ILE 27 2HG2 ILE 27 -5.536 0.179 -13.088 207 HG23 ILE 27 3HG2 ILE 27 -6.797 0.940 -12.124 208 HD11 ILE 27 3HD1 ILE 27 -2.535 3.549 -12.726 209 HD12 ILE 27 1HD1 ILE 27 -2.201 1.817 -12.747 210 HD13 ILE 27 2HD1 ILE 27 -2.559 2.628 -11.223 211 HA PRO 28 HA PRO 28 -9.392 2.446 -11.465 212 HB2 PRO 28 2HB PRO 28 -10.910 1.388 -9.416 213 HB3 PRO 28 1HB PRO 28 -10.389 0.483 -10.841 214 HG2 PRO 28 2HG PRO 28 -9.182 0.566 -8.104 215 HG3 PRO 28 1HG PRO 28 -9.442 -0.826 -9.174 216 HD2 PRO 28 2HD PRO 28 -7.035 0.281 -8.929 217 HD3 PRO 28 1HD PRO 28 -7.610 -0.307 -10.499 218 H PHE 29 H PHE 29 -8.548 2.666 -8.025 219 HA PHE 29 HA PHE 29 -10.299 4.862 -7.501 220 HB2 PHE 29 2HB PHE 29 -7.886 4.317 -5.810 221 HB3 PHE 29 1HB PHE 29 -9.502 4.810 -5.317 222 HD1 PHE 29 1HD PHE 29 -11.292 2.877 -6.339 223 HD2 PHE 29 2HD PHE 29 -7.327 2.293 -4.900 224 HE1 PHE 29 1HE PHE 29 -11.835 0.539 -5.798 225 HE2 PHE 29 2HE PHE 29 -7.863 -0.042 -4.359 226 HZ PHE 29 HZ PHE 29 -10.119 -0.924 -4.807 227 H GLY 30 H GLY 30 -7.111 4.497 -8.781 228 HA2 GLY 30 2HA GLY 30 -6.862 7.021 -9.824 229 HA3 GLY 30 1HA GLY 30 -6.178 7.134 -8.211 230 H ASP 31 H ASP 31 -5.223 6.935 -11.217 231 HA ASP 31 HA ASP 31 -3.600 4.703 -11.442 232 HB2 ASP 31 2HB ASP 31 -2.865 7.394 -12.565 233 HB3 ASP 31 1HB ASP 31 -2.486 5.802 -13.212 234 H ILE 32 H ILE 32 -2.225 4.047 -10.000 235 HA ILE 32 HA ILE 32 -0.851 5.611 -8.121 236 HB ILE 32 HB ILE 32 -0.236 2.867 -9.226 237 HG12 ILE 32 2HG1 ILE 32 -1.197 2.828 -6.549 238 HG13 ILE 32 1HG1 ILE 32 -2.273 3.851 -7.497 239 HG21 ILE 32 1HG2 ILE 32 0.784 3.957 -6.617 240 HG22 ILE 32 2HG2 ILE 32 1.732 3.966 -8.102 241 HG23 ILE 32 3HG2 ILE 32 1.202 2.441 -7.407 242 HD11 ILE 32 3HD1 ILE 32 -1.952 0.981 -7.502 243 HD12 ILE 32 1HD1 ILE 32 -1.874 1.671 -9.122 244 HD13 ILE 32 2HD1 ILE 32 -3.270 1.979 -8.098 245 H THR 33 H THR 33 1.360 6.129 -7.961 246 HA THR 33 HA THR 33 2.757 6.396 -10.535 247 HB THR 33 HB THR 33 3.545 8.202 -8.390 248 HG1 THR 33 1HG THR 33 1.711 9.562 -8.743 249 HG21 THR 33 3HG2 THR 33 4.075 8.189 -10.978 250 HG22 THR 33 1HG2 THR 33 3.992 9.681 -10.042 251 HG23 THR 33 2HG2 THR 33 2.613 9.176 -11.019 252 H ASP 34 H ASP 34 3.010 5.639 -7.132 253 HA ASP 34 HA ASP 34 5.430 4.199 -7.697 254 HB2 ASP 34 2HB ASP 34 5.537 6.812 -6.563 255 HB3 ASP 34 1HB ASP 34 6.045 5.660 -5.333 256 H ILE 35 H ILE 35 5.903 2.576 -6.209 257 HA ILE 35 HA ILE 35 4.217 2.349 -3.837 258 HB ILE 35 HB ILE 35 4.515 0.030 -5.744 259 HG12 ILE 35 2HG1 ILE 35 2.118 1.829 -5.320 260 HG13 ILE 35 1HG1 ILE 35 3.140 1.820 -6.752 261 HG21 ILE 35 1HG2 ILE 35 2.823 -1.019 -4.351 262 HG22 ILE 35 2HG2 ILE 35 2.729 0.427 -3.344 263 HG23 ILE 35 3HG2 ILE 35 4.208 -0.535 -3.373 264 HD11 ILE 35 3HD1 ILE 35 1.759 0.332 -7.625 265 HD12 ILE 35 1HD1 ILE 35 0.891 0.161 -6.099 266 HD13 ILE 35 2HD1 ILE 35 2.319 -0.824 -6.418 267 H GLN 36 H GLN 36 5.527 1.998 -2.171 268 HA GLN 36 HA GLN 36 8.006 0.475 -2.647 269 HB2 GLN 36 2HB GLN 36 7.965 3.051 -1.973 270 HB3 GLN 36 1HB GLN 36 7.829 2.364 -0.360 271 HG2 GLN 36 2HG GLN 36 9.940 1.344 -2.189 272 HG3 GLN 36 1HG GLN 36 10.162 2.908 -1.407 273 HE21 GLN 36 1HE2 GLN 36 11.955 1.053 -0.821 274 HE22 GLN 36 2HE2 GLN 36 11.715 0.412 0.766 275 H ILE 37 H ILE 37 8.340 -1.289 -1.498 276 HA ILE 37 HA ILE 37 6.642 -1.789 0.860 277 HB ILE 37 HB ILE 37 7.873 -3.865 -0.957 278 HG12 ILE 37 2HG1 ILE 37 4.992 -3.830 -0.976 279 HG13 ILE 37 1HG1 ILE 37 5.601 -2.237 -1.414 280 HG21 ILE 37 1HG2 ILE 37 6.236 -5.358 0.245 281 HG22 ILE 37 2HG2 ILE 37 5.992 -4.034 1.385 282 HG23 ILE 37 3HG2 ILE 37 7.586 -4.769 1.213 283 HD11 ILE 37 3HD1 ILE 37 6.160 -4.859 -2.763 284 HD12 ILE 37 1HD1 ILE 37 7.055 -3.380 -3.110 285 HD13 ILE 37 2HD1 ILE 37 5.319 -3.452 -3.415 286 HA PRO 38 HA PRO 38 10.757 -1.557 2.735 287 HB2 PRO 38 2HB PRO 38 9.921 -1.556 5.308 288 HB3 PRO 38 1HB PRO 38 9.847 -0.120 4.280 289 HG2 PRO 38 2HG PRO 38 7.686 -2.085 4.939 290 HG3 PRO 38 1HG PRO 38 7.614 -0.312 4.937 291 HD2 PRO 38 2HD PRO 38 6.666 -1.774 2.884 292 HD3 PRO 38 1HD PRO 38 7.444 -0.197 2.628 293 H LEU 39 H LEU 39 12.128 -3.008 3.583 294 HA LEU 39 HA LEU 39 11.100 -5.719 4.043 295 HB2 LEU 39 2HB LEU 39 13.755 -4.636 3.150 296 HB3 LEU 39 1HB LEU 39 13.600 -6.276 3.744 297 HG LEU 39 HG LEU 39 11.751 -5.420 1.576 298 HD11 LEU 39 1HD1 LEU 39 13.355 -4.859 0.151 299 HD12 LEU 39 2HD1 LEU 39 13.987 -6.501 0.279 300 HD13 LEU 39 3HD1 LEU 39 14.609 -5.232 1.334 301 HD21 LEU 39 3HD2 LEU 39 11.953 -7.723 0.915 302 HD22 LEU 39 1HD2 LEU 39 11.637 -7.649 2.648 303 HD23 LEU 39 2HD2 LEU 39 13.265 -7.978 2.060 304 H ASP 40 H ASP 40 12.937 -6.949 5.480 305 HA ASP 40 HA ASP 40 12.590 -5.832 8.097 306 HB2 ASP 40 2HB ASP 40 13.204 -8.404 6.969 307 HB3 ASP 40 1HB ASP 40 14.371 -8.029 8.233 308 H TYR 41 H TYR 41 15.028 -5.579 5.724 309 HA TYR 41 HA TYR 41 16.967 -4.402 5.691 310 HB2 TYR 41 2HB TYR 41 16.746 -2.593 6.980 311 HB3 TYR 41 1HB TYR 41 15.681 -3.442 8.085 312 HD1 TYR 41 2HD TYR 41 16.612 -4.530 10.106 313 HD2 TYR 41 1HD TYR 41 19.060 -2.237 7.490 314 HE1 TYR 41 2HE TYR 41 18.334 -4.393 11.851 315 HE2 TYR 41 1HE TYR 41 20.791 -2.091 9.229 316 HH TYR 41 HH TYR 41 20.269 -3.413 12.470 317 H GLU 42 H GLU 42 16.479 -7.210 7.250 318 HA GLU 42 HA GLU 42 19.330 -7.718 7.409 319 HB2 GLU 42 2HB GLU 42 19.115 -8.852 9.627 320 HB3 GLU 42 1HB GLU 42 18.935 -7.106 9.688 321 HG2 GLU 42 2HG GLU 42 16.702 -7.215 10.201 322 HG3 GLU 42 1HG GLU 42 16.502 -8.810 9.483 323 H THR 43 H THR 43 16.057 -8.980 7.690 324 HA THR 43 HA THR 43 16.972 -11.598 6.738 325 HB THR 43 HB THR 43 14.867 -12.474 7.484 326 HG1 THR 43 1HG THR 43 13.256 -11.080 8.304 327 HG21 THR 43 3HG2 THR 43 14.897 -10.890 9.818 328 HG22 THR 43 1HG2 THR 43 16.566 -11.079 9.280 329 HG23 THR 43 2HG2 THR 43 15.566 -12.504 9.574 330 H GLU 44 H GLU 44 15.315 -8.753 5.769 331 HA GLU 44 HA GLU 44 14.040 -8.193 3.961 332 HB2 GLU 44 2HB GLU 44 15.192 -8.542 1.860 333 HB3 GLU 44 1HB GLU 44 16.351 -8.164 3.122 334 HG2 GLU 44 2HG GLU 44 17.346 -10.183 3.009 335 HG3 GLU 44 1HG GLU 44 15.848 -11.028 2.632 336 H LYS 45 H LYS 45 12.411 -9.827 4.965 337 HA LYS 45 HA LYS 45 11.719 -11.765 2.853 338 HB2 LYS 45 2HB LYS 45 11.206 -12.055 5.817 339 HB3 LYS 45 1HB LYS 45 10.726 -13.198 4.571 340 HG2 LYS 45 2HG LYS 45 13.486 -12.809 4.243 341 HG3 LYS 45 1HG LYS 45 13.215 -12.969 5.978 342 HD2 LYS 45 2HD LYS 45 13.195 -15.177 5.652 343 HD3 LYS 45 1HD LYS 45 11.631 -14.959 4.867 344 HE2 LYS 45 2HE LYS 45 13.255 -14.357 2.814 345 HE3 LYS 45 1HE LYS 45 14.295 -15.476 3.695 346 HZ1 LYS 45 3HZ LYS 45 11.546 -16.335 3.333 347 HZ2 LYS 45 1HZ LYS 45 12.985 -17.218 3.203 348 HZ3 LYS 45 2HZ LYS 45 12.469 -16.245 1.920 349 H HIS 46 H HIS 46 10.830 -8.897 4.195 350 HA HIS 46 HA HIS 46 8.949 -7.636 4.134 351 HB2 HIS 46 2HB HIS 46 8.008 -9.855 2.311 352 HB3 HIS 46 1HB HIS 46 7.103 -8.377 2.605 353 HD1 HIS 46 1HD HIS 46 8.780 -6.127 2.129 354 HD2 HIS 46 2HD HIS 46 9.461 -9.664 0.061 355 HE1 HIS 46 1HE HIS 46 10.082 -5.467 0.080 356 HE2 HIS 46 2HE HIS 46 10.563 -7.637 -1.107 357 H ARG 47 H ARG 47 6.875 -7.419 5.080 358 HA ARG 47 HA ARG 47 6.116 -9.688 6.803 359 HB2 ARG 47 2HB ARG 47 6.329 -6.765 7.316 360 HB3 ARG 47 1HB ARG 47 5.012 -7.624 8.102 361 HG2 ARG 47 2HG ARG 47 6.702 -9.221 9.012 362 HG3 ARG 47 1HG ARG 47 7.958 -8.161 8.367 363 HD2 ARG 47 2HD ARG 47 6.254 -6.464 9.770 364 HD3 ARG 47 1HD ARG 47 6.381 -7.905 10.780 365 HE ARG 47 HE ARG 47 8.926 -7.025 9.842 366 HH11 ARG 47 1HH1 ARG 47 6.468 -6.434 12.246 367 HH12 ARG 47 2HH1 ARG 47 7.570 -5.730 13.381 368 HH21 ARG 47 1HH2 ARG 47 10.377 -6.104 11.331 369 HH22 ARG 47 2HH2 ARG 47 9.791 -5.541 12.861 370 H GLY 48 H GLY 48 4.522 -6.640 5.899 371 HA2 GLY 48 2HA GLY 48 2.674 -7.670 4.095 372 HA3 GLY 48 1HA GLY 48 1.968 -7.846 5.692 373 H PHE 49 H PHE 49 4.017 -5.211 4.461 374 HA PHE 49 HA PHE 49 1.701 -3.433 4.476 375 HB2 PHE 49 2HB PHE 49 4.248 -2.714 5.936 376 HB3 PHE 49 1HB PHE 49 2.713 -1.848 5.949 377 HD1 PHE 49 2HD PHE 49 0.721 -3.729 6.466 378 HD2 PHE 49 1HD PHE 49 4.676 -3.647 8.014 379 HE1 PHE 49 2HE PHE 49 -0.018 -5.066 8.375 380 HE2 PHE 49 1HE PHE 49 3.947 -4.987 9.946 381 HZ PHE 49 HZ PHE 49 1.592 -5.695 10.136 382 H ALA 50 H ALA 50 1.964 -1.534 3.220 383 HA ALA 50 HA ALA 50 4.468 -1.121 1.818 384 HB1 ALA 50 1HB ALA 50 2.797 -1.188 -0.352 385 HB2 ALA 50 2HB ALA 50 2.239 -2.557 0.610 386 HB3 ALA 50 3HB ALA 50 3.929 -2.457 0.115 387 H PHE 51 H PHE 51 4.162 0.645 0.094 388 HA PHE 51 HA PHE 51 2.327 2.706 1.132 389 HB2 PHE 51 2HB PHE 51 5.218 2.800 0.456 390 HB3 PHE 51 1HB PHE 51 4.259 4.195 -0.023 391 HD1 PHE 51 2HD PHE 51 2.919 5.394 1.761 392 HD2 PHE 51 1HD PHE 51 5.946 2.539 2.654 393 HE1 PHE 51 2HE PHE 51 3.097 6.300 4.042 394 HE2 PHE 51 1HE PHE 51 6.131 3.442 4.935 395 HZ PHE 51 HZ PHE 51 4.706 5.326 5.631 396 H VAL 52 H VAL 52 0.954 3.589 -0.333 397 HA VAL 52 HA VAL 52 1.447 2.985 -3.179 398 HB VAL 52 HB VAL 52 -1.250 3.582 -1.955 399 HG11 VAL 52 1HG1 VAL 52 -2.085 2.547 -4.032 400 HG12 VAL 52 2HG1 VAL 52 -0.422 2.391 -4.600 401 HG13 VAL 52 3HG1 VAL 52 -1.118 3.990 -4.340 402 HG21 VAL 52 3HG2 VAL 52 -1.702 1.264 -1.817 403 HG22 VAL 52 1HG2 VAL 52 -0.141 1.501 -1.034 404 HG23 VAL 52 2HG2 VAL 52 -0.217 0.847 -2.670 405 H GLU 53 H GLU 53 1.723 4.646 -4.550 406 HA GLU 53 HA GLU 53 1.037 7.347 -3.594 407 HB2 GLU 53 2HB GLU 53 3.394 7.248 -3.736 408 HB3 GLU 53 1HB GLU 53 3.351 6.331 -5.231 409 HG2 GLU 53 2HG GLU 53 3.617 8.196 -6.364 410 HG3 GLU 53 1HG GLU 53 2.066 8.777 -5.762 411 H PHE 54 H PHE 54 -0.178 8.628 -4.903 412 HA PHE 54 HA PHE 54 -1.053 7.434 -7.437 413 HB2 PHE 54 2HB PHE 54 -2.519 9.223 -5.497 414 HB3 PHE 54 1HB PHE 54 -3.130 8.806 -7.095 415 HD1 PHE 54 2HD PHE 54 -1.743 7.078 -4.087 416 HD2 PHE 54 1HD PHE 54 -4.619 7.088 -7.215 417 HE1 PHE 54 2HE PHE 54 -2.741 5.024 -3.169 418 HE2 PHE 54 1HE PHE 54 -5.626 5.035 -6.307 419 HZ PHE 54 HZ PHE 54 -4.686 4.004 -4.281 420 H GLU 55 H GLU 55 -1.655 8.902 -9.124 421 HA GLU 55 HA GLU 55 0.306 10.971 -9.490 422 HB2 GLU 55 2HB GLU 55 -0.771 9.338 -11.249 423 HB3 GLU 55 1HB GLU 55 -2.027 10.563 -11.326 424 HG2 GLU 55 2HG GLU 55 0.247 12.058 -11.564 425 HG3 GLU 55 1HG GLU 55 0.681 10.574 -12.411 426 H LEU 56 H LEU 56 -3.064 10.708 -8.700 427 HA LEU 56 HA LEU 56 -3.287 13.646 -8.581 428 HB2 LEU 56 2HB LEU 56 -5.413 11.534 -8.884 429 HB3 LEU 56 1HB LEU 56 -5.739 13.246 -8.705 430 HG LEU 56 HG LEU 56 -4.185 12.026 -10.989 431 HD11 LEU 56 1HD1 LEU 56 -6.244 12.604 -12.302 432 HD12 LEU 56 2HD1 LEU 56 -7.073 12.856 -10.766 433 HD13 LEU 56 3HD1 LEU 56 -6.434 11.263 -11.173 434 HD21 LEU 56 3HD2 LEU 56 -4.881 14.344 -11.962 435 HD22 LEU 56 1HD2 LEU 56 -3.477 14.219 -10.901 436 HD23 LEU 56 2HD2 LEU 56 -5.016 14.803 -10.265 437 H ALA 57 H ALA 57 -3.265 14.476 -6.602 438 HA ALA 57 HA ALA 57 -3.182 12.996 -4.247 439 HB1 ALA 57 1HB ALA 57 -4.138 15.549 -3.558 440 HB2 ALA 57 2HB ALA 57 -3.127 15.762 -4.988 441 HB3 ALA 57 3HB ALA 57 -2.469 14.979 -3.552 442 H GLU 58 H GLU 58 -5.913 14.444 -5.921 443 HA GLU 58 HA GLU 58 -7.792 14.024 -3.819 444 HB2 GLU 58 2HB GLU 58 -8.436 14.296 -6.753 445 HB3 GLU 58 1HB GLU 58 -9.463 14.693 -5.384 446 HG2 GLU 58 2HG GLU 58 -8.590 16.731 -5.167 447 HG3 GLU 58 1HG GLU 58 -6.940 16.154 -5.397 448 H ASP 59 H ASP 59 -6.619 12.117 -6.496 449 HA ASP 59 HA ASP 59 -8.679 10.184 -6.536 450 HB2 ASP 59 2HB ASP 59 -5.860 10.272 -7.535 451 HB3 ASP 59 1HB ASP 59 -6.737 8.750 -7.540 452 H ALA 60 H ALA 60 -5.678 10.451 -4.708 453 HA ALA 60 HA ALA 60 -5.559 7.866 -3.676 454 HB1 ALA 60 1HB ALA 60 -3.932 8.638 -2.251 455 HB2 ALA 60 2HB ALA 60 -4.755 10.171 -1.965 456 HB3 ALA 60 3HB ALA 60 -3.909 9.894 -3.489 457 H ALA 61 H ALA 61 -7.308 10.715 -2.479 458 HA ALA 61 HA ALA 61 -8.192 9.725 -0.041 459 HB1 ALA 61 1HB ALA 61 -9.326 11.687 -1.989 460 HB2 ALA 61 2HB ALA 61 -8.706 11.952 -0.359 461 HB3 ALA 61 3HB ALA 61 -10.281 11.196 -0.589 462 H ALA 62 H ALA 62 -9.308 9.077 -3.279 463 HA ALA 62 HA ALA 62 -11.700 7.714 -2.575 464 HB1 ALA 62 1HB ALA 62 -10.709 6.716 -5.045 465 HB2 ALA 62 2HB ALA 62 -10.352 8.441 -4.976 466 HB3 ALA 62 3HB ALA 62 -12.010 7.876 -4.773 467 H ALA 63 H ALA 63 -8.390 6.662 -3.340 468 HA ALA 63 HA ALA 63 -8.838 3.880 -3.037 469 HB1 ALA 63 1HB ALA 63 -6.244 4.112 -2.361 470 HB2 ALA 63 2HB ALA 63 -6.481 5.665 -3.162 471 HB3 ALA 63 3HB ALA 63 -6.813 4.165 -4.030 472 H ILE 64 H ILE 64 -8.064 6.496 -0.886 473 HA ILE 64 HA ILE 64 -7.485 5.044 1.450 474 HB ILE 64 HB ILE 64 -8.595 7.810 0.998 475 HG12 ILE 64 2HG1 ILE 64 -5.815 6.829 1.691 476 HG13 ILE 64 1HG1 ILE 64 -6.342 7.450 0.135 477 HG21 ILE 64 1HG2 ILE 64 -8.537 6.371 3.445 478 HG22 ILE 64 2HG2 ILE 64 -8.931 8.069 3.189 479 HG23 ILE 64 3HG2 ILE 64 -7.269 7.592 3.528 480 HD11 ILE 64 3HD1 ILE 64 -5.699 9.458 0.786 481 HD12 ILE 64 1HD1 ILE 64 -5.364 8.865 2.413 482 HD13 ILE 64 2HD1 ILE 64 -6.981 9.433 1.998 483 H ASP 65 H ASP 65 -10.468 6.669 0.385 484 HA ASP 65 HA ASP 65 -12.018 5.634 2.548 485 HB2 ASP 65 2HB ASP 65 -12.584 7.257 0.101 486 HB3 ASP 65 1HB ASP 65 -13.927 6.537 0.985 487 H ASN 66 H ASN 66 -11.140 4.413 -0.545 488 HA ASN 66 HA ASN 66 -13.435 2.594 -0.596 489 HB2 ASN 66 2HB ASN 66 -11.431 3.461 -2.594 490 HB3 ASN 66 1HB ASN 66 -11.993 1.802 -2.736 491 HD21 ASN 66 1HD2 ASN 66 -12.513 3.529 -4.743 492 HD22 ASN 66 2HD2 ASN 66 -14.196 3.920 -4.779 493 H MET 67 H MET 67 -9.981 2.521 0.013 494 HA MET 67 HA MET 67 -10.103 -0.395 0.270 495 HB2 MET 67 2HB MET 67 -8.191 1.230 -0.846 496 HB3 MET 67 1HB MET 67 -7.503 0.857 0.725 497 HG2 MET 67 2HG MET 67 -6.687 -0.785 -0.734 498 HG3 MET 67 1HG MET 67 -7.955 -1.572 0.207 499 HE1 MET 67 3HE MET 67 -6.900 -2.968 -1.985 500 HE2 MET 67 1HE MET 67 -7.929 -3.152 -3.405 501 HE3 MET 67 2HE MET 67 -8.513 -3.660 -1.821 502 H ASN 68 H ASN 68 -10.139 2.406 2.244 503 HA ASN 68 HA ASN 68 -8.763 1.656 4.511 504 HB2 ASN 68 2HB ASN 68 -10.570 3.680 3.896 505 HB3 ASN 68 1HB ASN 68 -11.346 2.815 5.212 506 HD21 ASN 68 1HD2 ASN 68 -9.309 2.030 6.762 507 HD22 ASN 68 2HD2 ASN 68 -8.449 3.392 7.385 508 H GLU 69 H GLU 69 -8.817 -0.221 5.532 509 HA GLU 69 HA GLU 69 -9.563 -2.066 6.626 510 HB2 GLU 69 2HB GLU 69 -12.142 -0.496 6.783 511 HB3 GLU 69 1HB GLU 69 -11.787 -1.954 7.699 512 HG2 GLU 69 2HG GLU 69 -10.202 -0.890 9.023 513 HG3 GLU 69 1HG GLU 69 -10.008 0.443 7.885 514 H SER 70 H SER 70 -9.588 -2.123 3.832 515 HA SER 70 HA SER 70 -12.065 -3.436 3.043 516 HB2 SER 70 2HB SER 70 -10.592 -1.793 1.609 517 HB3 SER 70 1HB SER 70 -9.667 -3.252 1.257 518 HG SER 70 HG SER 70 -11.153 -3.426 -0.247 519 H GLU 71 H GLU 71 -11.184 -5.324 1.262 520 HA GLU 71 HA GLU 71 -9.628 -7.195 2.922 521 HB2 GLU 71 2HB GLU 71 -12.287 -7.457 2.586 522 HB3 GLU 71 1HB GLU 71 -11.727 -8.327 1.164 523 HG2 GLU 71 2HG GLU 71 -10.412 -9.811 2.547 524 HG3 GLU 71 1HG GLU 71 -10.867 -8.903 3.989 525 H LEU 72 H LEU 72 -7.924 -8.033 1.938 526 HA LEU 72 HA LEU 72 -7.955 -8.373 -0.972 527 HB2 LEU 72 2HB LEU 72 -6.766 -6.196 -0.040 528 HB3 LEU 72 1HB LEU 72 -5.461 -7.323 0.278 529 HG LEU 72 HG LEU 72 -5.702 -7.991 -2.204 530 HD11 LEU 72 1HD1 LEU 72 -6.517 -5.366 -3.009 531 HD12 LEU 72 2HD1 LEU 72 -7.790 -6.114 -2.043 532 HD13 LEU 72 3HD1 LEU 72 -7.173 -6.935 -3.477 533 HD21 LEU 72 3HD2 LEU 72 -4.560 -5.525 -2.648 534 HD22 LEU 72 1HD2 LEU 72 -3.729 -6.960 -2.051 535 HD23 LEU 72 2HD2 LEU 72 -4.344 -5.760 -0.915 536 H PHE 73 H PHE 73 -7.287 -10.357 -1.506 537 HA PHE 73 HA PHE 73 -6.403 -12.454 -1.339 538 HB2 PHE 73 2HB PHE 73 -4.342 -10.986 0.323 539 HB3 PHE 73 1HB PHE 73 -4.170 -12.645 -0.244 540 HD1 PHE 73 2HD PHE 73 -4.357 -12.995 -2.810 541 HD2 PHE 73 1HD PHE 73 -3.531 -9.252 -0.961 542 HE1 PHE 73 2HE PHE 73 -3.373 -12.178 -4.912 543 HE2 PHE 73 1HE PHE 73 -2.549 -8.430 -3.058 544 HZ PHE 73 HZ PHE 73 -2.466 -9.893 -5.038 545 H GLY 74 H GLY 74 -8.449 -11.676 0.477 546 HA2 GLY 74 2HA GLY 74 -9.567 -12.610 2.256 547 HA3 GLY 74 1HA GLY 74 -8.292 -13.817 2.346 548 H ARG 75 H ARG 75 -7.340 -10.508 2.482 549 HA ARG 75 HA ARG 75 -7.058 -10.682 5.401 550 HB2 ARG 75 2HB ARG 75 -5.042 -9.348 3.608 551 HB3 ARG 75 1HB ARG 75 -4.870 -9.779 5.304 552 HG2 ARG 75 2HG ARG 75 -5.432 -12.109 3.709 553 HG3 ARG 75 1HG ARG 75 -4.026 -11.241 3.091 554 HD2 ARG 75 2HD ARG 75 -2.954 -11.342 5.230 555 HD3 ARG 75 1HD ARG 75 -4.405 -12.007 5.977 556 HE ARG 75 HE ARG 75 -3.556 -13.700 3.892 557 HH11 ARG 75 1HH1 ARG 75 -2.638 -12.710 7.110 558 HH12 ARG 75 2HH1 ARG 75 -1.834 -14.201 7.473 559 HH21 ARG 75 1HH2 ARG 75 -2.502 -15.660 4.369 560 HH22 ARG 75 2HH2 ARG 75 -1.756 -15.875 5.917 561 H THR 76 H THR 76 -7.324 -8.837 6.566 562 HA THR 76 HA THR 76 -8.758 -6.691 5.241 563 HB THR 76 HB THR 76 -8.122 -6.903 8.184 564 HG1 THR 76 1HG THR 76 -9.924 -8.125 8.427 565 HG21 THR 76 3HG2 THR 76 -9.341 -4.879 6.854 566 HG22 THR 76 1HG2 THR 76 -9.611 -5.283 8.549 567 HG23 THR 76 2HG2 THR 76 -10.717 -5.882 7.312 568 H ILE 77 H ILE 77 -7.762 -4.912 4.540 569 HA ILE 77 HA ILE 77 -5.167 -4.206 5.720 570 HB ILE 77 HB ILE 77 -4.678 -3.035 3.604 571 HG12 ILE 77 2HG1 ILE 77 -6.947 -4.461 2.283 572 HG13 ILE 77 1HG1 ILE 77 -7.275 -2.937 3.103 573 HG21 ILE 77 1HG2 ILE 77 -5.414 -5.909 3.100 574 HG22 ILE 77 2HG2 ILE 77 -4.020 -5.408 4.056 575 HG23 ILE 77 3HG2 ILE 77 -4.118 -4.975 2.351 576 HD11 ILE 77 3HD1 ILE 77 -4.955 -2.836 1.342 577 HD12 ILE 77 1HD1 ILE 77 -6.331 -1.742 1.479 578 HD13 ILE 77 2HD1 ILE 77 -6.465 -3.212 0.514 579 H ARG 78 H ARG 78 -4.629 -1.952 5.804 580 HA ARG 78 HA ARG 78 -6.950 -0.153 6.047 581 HB2 ARG 78 2HB ARG 78 -4.696 -0.613 7.979 582 HB3 ARG 78 1HB ARG 78 -5.532 0.933 7.935 583 HG2 ARG 78 2HG ARG 78 -7.410 0.103 8.871 584 HG3 ARG 78 1HG ARG 78 -7.235 -1.472 8.096 585 HD2 ARG 78 2HD ARG 78 -5.759 -2.244 9.714 586 HD3 ARG 78 1HD ARG 78 -5.333 -0.618 10.243 587 HE ARG 78 HE ARG 78 -7.625 -2.186 11.071 588 HH11 ARG 78 1HH1 ARG 78 -6.119 0.969 11.001 589 HH12 ARG 78 2HH1 ARG 78 -7.043 1.571 12.336 590 HH21 ARG 78 1HH2 ARG 78 -8.835 -1.388 12.819 591 HH22 ARG 78 2HH2 ARG 78 -8.582 0.237 13.367 592 H VAL 79 H VAL 79 -6.706 1.850 5.164 593 HA VAL 79 HA VAL 79 -4.050 2.484 4.060 594 HB VAL 79 HB VAL 79 -6.769 3.153 2.933 595 HG11 VAL 79 1HG1 VAL 79 -5.579 4.147 1.045 596 HG12 VAL 79 2HG1 VAL 79 -4.037 3.850 1.849 597 HG13 VAL 79 3HG1 VAL 79 -5.190 4.989 2.545 598 HG21 VAL 79 3HG2 VAL 79 -4.643 1.169 2.245 599 HG22 VAL 79 1HG2 VAL 79 -5.707 1.800 0.987 600 HG23 VAL 79 2HG2 VAL 79 -6.387 0.946 2.372 601 H ASN 80 H ASN 80 -3.391 4.687 4.012 602 HA ASN 80 HA ASN 80 -4.986 6.673 5.353 603 HB2 ASN 80 2HB ASN 80 -3.395 5.107 6.962 604 HB3 ASN 80 1HB ASN 80 -2.369 6.505 6.657 605 HD21 ASN 80 1HD2 ASN 80 -4.441 5.290 8.788 606 HD22 ASN 80 2HD2 ASN 80 -5.124 6.738 9.438 607 H LEU 81 H LEU 81 -3.932 8.808 5.394 608 HA LEU 81 HA LEU 81 -2.195 9.116 3.049 609 HB2 LEU 81 2HB LEU 81 -2.861 11.532 3.207 610 HB3 LEU 81 1HB LEU 81 -4.159 10.418 2.831 611 HG LEU 81 HG LEU 81 -4.055 10.755 5.671 612 HD11 LEU 81 1HD1 LEU 81 -2.910 12.930 4.802 613 HD12 LEU 81 2HD1 LEU 81 -4.156 13.017 6.045 614 HD13 LEU 81 3HD1 LEU 81 -4.557 13.389 4.369 615 HD21 LEU 81 3HD2 LEU 81 -5.951 10.375 3.768 616 HD22 LEU 81 1HD2 LEU 81 -6.202 12.076 4.160 617 HD23 LEU 81 2HD2 LEU 81 -6.288 10.855 5.430 618 H ALA 82 H ALA 82 -0.113 8.989 3.664 619 HA ALA 82 HA ALA 82 0.783 10.144 6.164 620 HB1 ALA 82 1HB ALA 82 1.633 8.017 4.644 621 HB2 ALA 82 2HB ALA 82 2.516 8.743 5.988 622 HB3 ALA 82 3HB ALA 82 2.867 9.241 4.333 623 H LYS 83 H LYS 83 2.872 11.473 6.078 624 HA LYS 83 HA LYS 83 3.124 13.199 3.764 625 HB2 LYS 83 2HB LYS 83 1.545 13.970 6.033 626 HB3 LYS 83 1HB LYS 83 2.962 15.006 5.942 627 HG2 LYS 83 2HG LYS 83 1.213 14.501 3.558 628 HG3 LYS 83 1HG LYS 83 0.863 15.773 4.730 629 HD2 LYS 83 2HD LYS 83 2.771 16.977 4.184 630 HD3 LYS 83 1HD LYS 83 3.580 15.570 3.490 631 HE2 LYS 83 2HE LYS 83 2.409 15.711 1.505 632 HE3 LYS 83 1HE LYS 83 1.073 16.600 2.236 633 HZ1 LYS 83 3HZ LYS 83 2.706 18.479 2.516 634 HZ2 LYS 83 1HZ LYS 83 2.244 18.136 0.925 635 HZ3 LYS 83 2HZ LYS 83 3.751 17.625 1.497 Start of MODEL 10 1 H1 GLY -2 1HT GLY -2 -7.139 18.211 11.857 2 H2 GLY -2 2HT GLY -2 -5.816 19.219 12.162 3 H3 GLY -2 3HT GLY -2 -5.565 17.601 11.742 4 HA2 GLY -2 1HA GLY -2 -6.883 19.555 9.947 5 HA3 GLY -2 2HA GLY -2 -5.154 19.244 9.916 6 H SER -1 H SER -1 -5.437 18.583 7.713 7 HA SER -1 HA SER -1 -6.339 15.791 7.516 8 HB2 SER -1 2HB SER -1 -7.646 17.955 6.316 9 HB3 SER -1 1HB SER -1 -6.712 17.217 5.014 10 HG SER -1 HG SER -1 -7.664 15.169 5.835 11 H THR 3 H THR 3 -4.363 18.381 6.132 12 HA THR 3 HA THR 3 -2.324 18.353 5.124 13 HB THR 3 HB THR 3 -1.904 15.446 5.611 14 HG1 THR 3 1HG THR 3 -1.854 17.325 7.730 15 HG21 THR 3 3HG2 THR 3 0.282 15.988 5.962 16 HG22 THR 3 1HG2 THR 3 -0.094 17.609 6.546 17 HG23 THR 3 2HG2 THR 3 -0.184 17.250 4.821 18 H THR 4 H THR 4 -1.657 18.123 3.049 19 HA THR 4 HA THR 4 -3.268 16.347 1.349 20 HB THR 4 HB THR 4 -3.517 18.586 0.633 21 HG1 THR 4 1HG THR 4 -2.635 18.518 -1.410 22 HG21 THR 4 3HG2 THR 4 -1.170 19.688 -0.121 23 HG22 THR 4 1HG2 THR 4 -0.695 18.859 1.362 24 HG23 THR 4 2HG2 THR 4 -2.004 20.041 1.392 25 H LYS 5 H LYS 5 -2.307 14.497 0.837 26 HA LYS 5 HA LYS 5 0.522 14.555 0.054 27 HB2 LYS 5 2HB LYS 5 -0.665 13.112 2.295 28 HB3 LYS 5 1HB LYS 5 0.184 12.041 1.189 29 HG2 LYS 5 2HG LYS 5 1.521 14.540 2.115 30 HG3 LYS 5 1HG LYS 5 1.432 13.144 3.193 31 HD2 LYS 5 2HD LYS 5 3.161 12.226 2.137 32 HD3 LYS 5 1HD LYS 5 2.232 12.203 0.640 33 HE2 LYS 5 2HE LYS 5 4.021 13.458 -0.024 34 HE3 LYS 5 1HE LYS 5 2.947 14.734 0.547 35 HZ1 LYS 5 3HZ LYS 5 4.123 14.764 2.641 36 HZ2 LYS 5 1HZ LYS 5 5.216 14.998 1.370 37 HZ3 LYS 5 2HZ LYS 5 5.126 13.497 2.142 38 H ARG 6 H ARG 6 1.080 12.282 -0.917 39 HA ARG 6 HA ARG 6 -1.144 11.365 -2.606 40 HB2 ARG 6 2HB ARG 6 1.321 12.670 -3.425 41 HB3 ARG 6 1HB ARG 6 1.163 11.081 -4.160 42 HG2 ARG 6 2HG ARG 6 -0.731 11.660 -5.335 43 HG3 ARG 6 1HG ARG 6 -1.147 12.965 -4.222 44 HD2 ARG 6 2HD ARG 6 1.363 13.622 -5.303 45 HD3 ARG 6 1HD ARG 6 0.381 13.059 -6.651 46 HE ARG 6 HE ARG 6 -1.261 14.754 -6.034 47 HH11 ARG 6 1HH1 ARG 6 1.969 15.129 -4.731 48 HH12 ARG 6 2HH1 ARG 6 1.798 16.833 -4.492 49 HH21 ARG 6 1HH2 ARG 6 -1.469 16.991 -5.708 50 HH22 ARG 6 2HH2 ARG 6 -0.144 17.886 -5.039 51 H VAL 7 H VAL 7 1.034 10.546 -0.303 52 HA VAL 7 HA VAL 7 1.384 7.829 -1.342 53 HB VAL 7 HB VAL 7 3.020 7.878 0.830 54 HG11 VAL 7 1HG1 VAL 7 4.727 7.597 -0.659 55 HG12 VAL 7 2HG1 VAL 7 4.148 8.865 -1.739 56 HG13 VAL 7 3HG1 VAL 7 3.343 7.295 -1.710 57 HG21 VAL 7 3HG2 VAL 7 2.599 10.291 1.159 58 HG22 VAL 7 1HG2 VAL 7 3.294 10.601 -0.433 59 HG23 VAL 7 2HG2 VAL 7 4.295 9.921 0.849 60 H LEU 8 H LEU 8 0.075 6.350 -0.503 61 HA LEU 8 HA LEU 8 -1.030 6.823 2.181 62 HB2 LEU 8 2HB LEU 8 -2.101 4.850 0.180 63 HB3 LEU 8 1HB LEU 8 -2.903 5.507 1.592 64 HG LEU 8 HG LEU 8 -2.283 6.980 -0.964 65 HD11 LEU 8 1HD1 LEU 8 -4.723 7.114 -1.155 66 HD12 LEU 8 2HD1 LEU 8 -4.885 6.137 0.305 67 HD13 LEU 8 3HD1 LEU 8 -4.160 5.443 -1.141 68 HD21 LEU 8 3HD2 LEU 8 -2.068 8.655 0.607 69 HD22 LEU 8 1HD2 LEU 8 -3.224 7.914 1.713 70 HD23 LEU 8 2HD2 LEU 8 -3.795 8.719 0.251 71 H TYR 9 H TYR 9 -1.232 4.996 3.633 72 HA TYR 9 HA TYR 9 0.864 2.973 3.138 73 HB2 TYR 9 2HB TYR 9 1.203 4.564 5.075 74 HB3 TYR 9 1HB TYR 9 -0.199 3.820 5.838 75 HD1 TYR 9 1HD TYR 9 -0.068 1.150 5.940 76 HD2 TYR 9 2HD TYR 9 3.287 3.752 5.649 77 HE1 TYR 9 1HE TYR 9 1.376 -0.618 6.854 78 HE2 TYR 9 2HE TYR 9 4.737 1.990 6.568 79 HH TYR 9 HH TYR 9 4.196 -0.180 8.182 80 H VAL 10 H VAL 10 0.378 0.840 3.275 81 HA VAL 10 HA VAL 10 -2.432 0.167 3.842 82 HB VAL 10 HB VAL 10 -0.441 -1.437 2.235 83 HG11 VAL 10 1HG1 VAL 10 -3.271 -1.940 1.795 84 HG12 VAL 10 2HG1 VAL 10 -2.774 -2.273 3.454 85 HG13 VAL 10 3HG1 VAL 10 -1.956 -3.071 2.111 86 HG21 VAL 10 3HG2 VAL 10 -1.449 0.905 1.405 87 HG22 VAL 10 1HG2 VAL 10 -2.767 -0.164 0.927 88 HG23 VAL 10 2HG2 VAL 10 -1.136 -0.449 0.319 89 H GLY 11 H GLY 11 -2.854 -0.966 5.626 90 HA2 GLY 11 2HA GLY 11 -0.666 -2.574 6.795 91 HA3 GLY 11 1HA GLY 11 -1.746 -1.603 7.779 92 H GLY 12 H GLY 12 -1.121 -4.672 6.707 93 HA2 GLY 12 2HA GLY 12 -2.545 -6.392 7.800 94 HA3 GLY 12 1HA GLY 12 -3.921 -5.518 7.134 95 H LEU 13 H LEU 13 -0.813 -6.397 5.720 96 HA LEU 13 HA LEU 13 -2.225 -7.537 3.439 97 HB2 LEU 13 2HB LEU 13 0.538 -6.503 3.862 98 HB3 LEU 13 1HB LEU 13 0.132 -7.422 2.448 99 HG LEU 13 HG LEU 13 -1.099 -4.791 3.244 100 HD11 LEU 13 1HD1 LEU 13 0.407 -5.033 0.737 101 HD12 LEU 13 2HD1 LEU 13 1.372 -5.159 2.208 102 HD13 LEU 13 3HD1 LEU 13 0.374 -3.733 1.928 103 HD21 LEU 13 3HD2 LEU 13 -2.145 -4.871 1.019 104 HD22 LEU 13 1HD2 LEU 13 -2.692 -6.192 2.051 105 HD23 LEU 13 2HD2 LEU 13 -1.503 -6.497 0.789 106 H ALA 14 H ALA 14 -0.590 -9.150 2.277 107 HA ALA 14 HA ALA 14 0.348 -11.178 4.177 108 HB1 ALA 14 1HB ALA 14 -1.814 -11.978 3.544 109 HB2 ALA 14 2HB ALA 14 -0.625 -12.931 2.659 110 HB3 ALA 14 3HB ALA 14 -1.505 -11.641 1.841 111 H GLU 15 H GLU 15 1.321 -13.046 2.472 112 HA GLU 15 HA GLU 15 3.529 -11.636 1.248 113 HB2 GLU 15 2HB GLU 15 2.938 -14.422 2.042 114 HB3 GLU 15 1HB GLU 15 4.002 -14.236 0.655 115 HG2 GLU 15 2HG GLU 15 5.442 -12.754 2.022 116 HG3 GLU 15 1HG GLU 15 4.416 -13.108 3.411 117 H GLU 16 H GLU 16 0.546 -12.122 0.142 118 HA GLU 16 HA GLU 16 1.287 -13.030 -2.535 119 HB2 GLU 16 2HB GLU 16 -1.523 -12.319 -2.043 120 HB3 GLU 16 1HB GLU 16 -0.835 -13.766 -2.767 121 HG2 GLU 16 2HG GLU 16 -0.214 -14.497 -0.446 122 HG3 GLU 16 1HG GLU 16 -1.186 -13.152 0.153 123 H VAL 17 H VAL 17 0.507 -10.156 -0.799 124 HA VAL 17 HA VAL 17 -0.308 -8.619 -3.078 125 HB VAL 17 HB VAL 17 -1.144 -8.169 -0.776 126 HG11 VAL 17 1HG1 VAL 17 0.182 -7.610 0.949 127 HG12 VAL 17 2HG1 VAL 17 1.317 -6.715 -0.055 128 HG13 VAL 17 3HG1 VAL 17 1.403 -8.476 0.028 129 HG21 VAL 17 3HG2 VAL 17 -1.288 -5.868 -1.062 130 HG22 VAL 17 1HG2 VAL 17 -0.929 -6.437 -2.686 131 HG23 VAL 17 2HG2 VAL 17 0.349 -5.746 -1.699 132 H ASP 18 H ASP 18 0.794 -6.851 -3.897 133 HA ASP 18 HA ASP 18 3.487 -6.240 -3.200 134 HB2 ASP 18 2HB ASP 18 2.953 -8.163 -5.368 135 HB3 ASP 18 1HB ASP 18 4.016 -6.835 -5.821 136 H ASP 19 H ASP 19 4.410 -4.877 -5.207 137 HA ASP 19 HA ASP 19 2.775 -2.594 -5.348 138 HB2 ASP 19 2HB ASP 19 4.482 -1.836 -7.072 139 HB3 ASP 19 1HB ASP 19 5.126 -2.269 -5.492 140 H LYS 20 H LYS 20 3.189 -5.363 -7.364 141 HA LYS 20 HA LYS 20 2.104 -4.371 -9.763 142 HB2 LYS 20 2HB LYS 20 2.084 -6.653 -10.467 143 HB3 LYS 20 1HB LYS 20 3.508 -6.417 -9.460 144 HG2 LYS 20 2HG LYS 20 2.111 -7.334 -7.547 145 HG3 LYS 20 1HG LYS 20 0.971 -7.860 -8.785 146 HD2 LYS 20 2HD LYS 20 3.463 -8.706 -9.705 147 HD3 LYS 20 1HD LYS 20 3.493 -9.026 -7.969 148 HE2 LYS 20 2HE LYS 20 2.636 -10.967 -9.087 149 HE3 LYS 20 1HE LYS 20 1.316 -10.198 -8.208 150 HZ1 LYS 20 3HZ LYS 20 1.684 -9.385 -10.980 151 HZ2 LYS 20 1HZ LYS 20 0.256 -9.635 -10.103 152 HZ3 LYS 20 2HZ LYS 20 1.109 -10.955 -10.730 153 H VAL 21 H VAL 21 0.628 -6.259 -7.134 154 HA VAL 21 HA VAL 21 -1.956 -6.272 -8.343 155 HB VAL 21 HB VAL 21 -0.996 -7.883 -6.554 156 HG11 VAL 21 1HG1 VAL 21 -1.486 -7.410 -4.288 157 HG12 VAL 21 2HG1 VAL 21 -2.288 -5.898 -4.718 158 HG13 VAL 21 3HG1 VAL 21 -0.547 -6.065 -4.931 159 HG21 VAL 21 3HG2 VAL 21 -3.377 -7.691 -7.583 160 HG22 VAL 21 1HG2 VAL 21 -3.811 -7.059 -5.996 161 HG23 VAL 21 2HG2 VAL 21 -3.128 -8.678 -6.142 162 H LEU 22 H LEU 22 -0.414 -4.417 -5.790 163 HA LEU 22 HA LEU 22 -2.631 -2.860 -5.052 164 HB2 LEU 22 2HB LEU 22 0.338 -2.419 -4.888 165 HB3 LEU 22 1HB LEU 22 -0.787 -1.179 -4.367 166 HG LEU 22 HG LEU 22 -1.313 -3.837 -3.238 167 HD11 LEU 22 1HD1 LEU 22 1.341 -2.552 -2.964 168 HD12 LEU 22 2HD1 LEU 22 0.886 -4.251 -2.860 169 HD13 LEU 22 3HD1 LEU 22 0.597 -3.179 -1.493 170 HD21 LEU 22 3HD2 LEU 22 -0.908 -1.825 -1.288 171 HD22 LEU 22 1HD2 LEU 22 -2.420 -2.557 -1.825 172 HD23 LEU 22 2HD2 LEU 22 -1.806 -1.113 -2.628 173 H HIS 23 H HIS 23 -0.303 -2.605 -7.647 174 HA HIS 23 HA HIS 23 -0.868 0.006 -8.504 175 HB2 HIS 23 2HB HIS 23 0.509 -2.337 -9.523 176 HB3 HIS 23 1HB HIS 23 -0.370 -1.522 -10.810 177 HD1 HIS 23 1HD HIS 23 2.802 -1.498 -9.197 178 HD2 HIS 23 2HD HIS 23 0.310 1.423 -10.787 179 HE1 HIS 23 1HE HIS 23 4.278 0.496 -9.602 180 HE2 HIS 23 2HE HIS 23 2.754 2.248 -10.581 181 H ALA 24 H ALA 24 -2.139 -3.093 -9.654 182 HA ALA 24 HA ALA 24 -4.124 -1.998 -11.335 183 HB1 ALA 24 1HB ALA 24 -3.855 -4.092 -12.050 184 HB2 ALA 24 2HB ALA 24 -5.001 -4.534 -10.785 185 HB3 ALA 24 3HB ALA 24 -3.268 -4.649 -10.484 186 H ALA 25 H ALA 25 -4.235 -3.217 -8.009 187 HA ALA 25 HA ALA 25 -7.047 -3.052 -7.741 188 HB1 ALA 25 1HB ALA 25 -4.800 -3.712 -6.042 189 HB2 ALA 25 2HB ALA 25 -6.453 -4.319 -6.016 190 HB3 ALA 25 3HB ALA 25 -6.052 -2.819 -5.179 191 H PHE 26 H PHE 26 -4.468 -0.740 -7.186 192 HA PHE 26 HA PHE 26 -6.417 1.114 -6.057 193 HB2 PHE 26 2HB PHE 26 -3.411 1.183 -6.144 194 HB3 PHE 26 1HB PHE 26 -4.396 2.498 -5.518 195 HD1 PHE 26 2HD PHE 26 -4.198 -1.238 -5.094 196 HD2 PHE 26 1HD PHE 26 -4.586 2.585 -3.258 197 HE1 PHE 26 2HE PHE 26 -4.234 -2.299 -2.877 198 HE2 PHE 26 1HE PHE 26 -4.601 1.534 -1.044 199 HZ PHE 26 HZ PHE 26 -4.438 -0.917 -0.848 200 H ILE 27 H ILE 27 -5.054 0.431 -9.066 201 HA ILE 27 HA ILE 27 -4.662 3.021 -10.089 202 HB ILE 27 HB ILE 27 -4.014 0.754 -11.148 203 HG12 ILE 27 2HG1 ILE 27 -4.381 1.955 -13.498 204 HG13 ILE 27 1HG1 ILE 27 -4.776 3.308 -12.440 205 HG21 ILE 27 1HG2 ILE 27 -5.575 0.251 -13.102 206 HG22 ILE 27 2HG2 ILE 27 -6.814 1.048 -12.140 207 HG23 ILE 27 3HG2 ILE 27 -5.989 -0.378 -11.514 208 HD11 ILE 27 3HD1 ILE 27 -2.519 3.582 -12.792 209 HD12 ILE 27 1HD1 ILE 27 -2.195 1.848 -12.753 210 HD13 ILE 27 2HD1 ILE 27 -2.561 2.711 -11.259 211 HA PRO 28 HA PRO 28 -9.347 2.722 -11.511 212 HB2 PRO 28 2HB PRO 28 -10.940 1.687 -9.519 213 HB3 PRO 28 1HB PRO 28 -10.414 0.777 -10.940 214 HG2 PRO 28 2HG PRO 28 -9.274 0.797 -8.173 215 HG3 PRO 28 1HG PRO 28 -9.557 -0.576 -9.260 216 HD2 PRO 28 2HD PRO 28 -7.118 0.451 -8.944 217 HD3 PRO 28 1HD PRO 28 -7.672 -0.124 -10.525 218 H PHE 29 H PHE 29 -8.527 2.848 -8.056 219 HA PHE 29 HA PHE 29 -10.200 5.100 -7.515 220 HB2 PHE 29 2HB PHE 29 -7.822 4.460 -5.811 221 HB3 PHE 29 1HB PHE 29 -9.424 5.002 -5.330 222 HD1 PHE 29 2HD PHE 29 -11.247 3.095 -6.419 223 HD2 PHE 29 1HD PHE 29 -7.347 2.451 -4.841 224 HE1 PHE 29 2HE PHE 29 -11.855 0.778 -5.857 225 HE2 PHE 29 1HE PHE 29 -7.945 0.149 -4.270 226 HZ PHE 29 HZ PHE 29 -10.205 -0.700 -4.780 227 H GLY 30 H GLY 30 -6.980 4.620 -8.700 228 HA2 GLY 30 2HA GLY 30 -6.648 7.191 -9.682 229 HA3 GLY 30 1HA GLY 30 -5.923 7.172 -8.080 230 H ASP 31 H ASP 31 -5.065 7.058 -11.145 231 HA ASP 31 HA ASP 31 -3.522 4.758 -11.452 232 HB2 ASP 31 2HB ASP 31 -2.743 7.427 -12.597 233 HB3 ASP 31 1HB ASP 31 -2.459 5.825 -13.266 234 H ILE 32 H ILE 32 -2.195 4.096 -9.968 235 HA ILE 32 HA ILE 32 -0.743 5.638 -8.153 236 HB ILE 32 HB ILE 32 -0.206 2.858 -9.211 237 HG12 ILE 32 2HG1 ILE 32 -1.216 2.625 -6.662 238 HG13 ILE 32 1HG1 ILE 32 -2.117 3.992 -7.315 239 HG21 ILE 32 1HG2 ILE 32 0.818 4.014 -6.627 240 HG22 ILE 32 2HG2 ILE 32 1.784 3.849 -8.092 241 HG23 ILE 32 3HG2 ILE 32 1.139 2.418 -7.296 242 HD11 ILE 32 3HD1 ILE 32 -3.436 2.577 -8.348 243 HD12 ILE 32 1HD1 ILE 32 -2.463 1.209 -7.810 244 HD13 ILE 32 2HD1 ILE 32 -2.078 2.030 -9.322 245 H THR 33 H THR 33 1.507 6.012 -7.968 246 HA THR 33 HA THR 33 2.960 6.170 -10.521 247 HB THR 33 HB THR 33 3.761 8.112 -8.527 248 HG1 THR 33 1HG THR 33 1.528 8.132 -8.095 249 HG21 THR 33 3HG2 THR 33 2.735 9.246 -10.953 250 HG22 THR 33 1HG2 THR 33 3.816 7.896 -11.303 251 HG23 THR 33 2HG2 THR 33 4.380 9.245 -10.318 252 H ASP 34 H ASP 34 3.046 5.413 -7.136 253 HA ASP 34 HA ASP 34 5.591 4.138 -7.531 254 HB2 ASP 34 2HB ASP 34 5.567 6.716 -6.498 255 HB3 ASP 34 1HB ASP 34 5.752 5.685 -5.082 256 H ILE 35 H ILE 35 5.959 2.425 -6.149 257 HA ILE 35 HA ILE 35 4.217 2.093 -3.834 258 HB ILE 35 HB ILE 35 4.472 -0.099 -5.897 259 HG12 ILE 35 2HG1 ILE 35 2.167 1.761 -5.267 260 HG13 ILE 35 1HG1 ILE 35 3.066 1.674 -6.779 261 HG21 ILE 35 1HG2 ILE 35 4.089 -1.285 -4.000 262 HG22 ILE 35 2HG2 ILE 35 2.420 -0.833 -4.337 263 HG23 ILE 35 3HG2 ILE 35 3.359 0.083 -3.160 264 HD11 ILE 35 3HD1 ILE 35 1.608 0.203 -7.540 265 HD12 ILE 35 1HD1 ILE 35 0.735 0.259 -6.009 266 HD13 ILE 35 2HD1 ILE 35 2.039 -0.906 -6.240 267 H GLN 36 H GLN 36 5.479 1.631 -2.173 268 HA GLN 36 HA GLN 36 7.860 -0.042 -2.655 269 HB2 GLN 36 2HB GLN 36 7.631 2.464 -0.999 270 HB3 GLN 36 1HB GLN 36 8.951 1.319 -0.805 271 HG2 GLN 36 2HG GLN 36 8.482 2.169 -3.566 272 HG3 GLN 36 1HG GLN 36 8.968 3.463 -2.472 273 HE21 GLN 36 1HE2 GLN 36 10.305 1.923 -4.724 274 HE22 GLN 36 2HE2 GLN 36 11.830 1.457 -4.061 275 H ILE 37 H ILE 37 8.052 -1.763 -1.417 276 HA ILE 37 HA ILE 37 6.351 -1.986 0.976 277 HB ILE 37 HB ILE 37 7.560 -4.260 -0.601 278 HG12 ILE 37 2HG1 ILE 37 4.717 -4.133 -0.883 279 HG13 ILE 37 1HG1 ILE 37 5.377 -2.559 -1.310 280 HG21 ILE 37 1HG2 ILE 37 6.744 -4.397 1.905 281 HG22 ILE 37 2HG2 ILE 37 6.419 -5.703 0.763 282 HG23 ILE 37 3HG2 ILE 37 5.161 -4.523 1.138 283 HD11 ILE 37 3HD1 ILE 37 7.015 -3.899 -2.778 284 HD12 ILE 37 1HD1 ILE 37 5.351 -3.684 -3.322 285 HD13 ILE 37 2HD1 ILE 37 5.852 -5.211 -2.590 286 HA PRO 38 HA PRO 38 10.400 -1.743 2.977 287 HB2 PRO 38 2HB PRO 38 9.485 -1.725 5.528 288 HB3 PRO 38 1HB PRO 38 9.445 -0.296 4.487 289 HG2 PRO 38 2HG PRO 38 7.269 -2.271 5.074 290 HG3 PRO 38 1HG PRO 38 7.191 -0.498 5.085 291 HD2 PRO 38 2HD PRO 38 6.307 -1.914 2.988 292 HD3 PRO 38 1HD PRO 38 7.142 -0.362 2.762 293 H LEU 39 H LEU 39 11.753 -3.205 3.811 294 HA LEU 39 HA LEU 39 10.660 -5.847 4.521 295 HB2 LEU 39 2HB LEU 39 13.392 -5.245 3.390 296 HB3 LEU 39 1HB LEU 39 12.697 -6.827 3.675 297 HG LEU 39 HG LEU 39 10.884 -5.563 1.971 298 HD11 LEU 39 1HD1 LEU 39 13.663 -5.185 0.890 299 HD12 LEU 39 2HD1 LEU 39 12.693 -3.880 1.572 300 HD13 LEU 39 3HD1 LEU 39 12.136 -4.733 0.133 301 HD21 LEU 39 3HD2 LEU 39 11.976 -7.183 0.285 302 HD22 LEU 39 1HD2 LEU 39 11.223 -7.850 1.735 303 HD23 LEU 39 2HD2 LEU 39 12.976 -7.681 1.650 304 H ASP 40 H ASP 40 12.747 -7.071 5.652 305 HA ASP 40 HA ASP 40 12.948 -5.743 8.198 306 HB2 ASP 40 2HB ASP 40 13.509 -8.445 7.133 307 HB3 ASP 40 1HB ASP 40 14.505 -7.940 8.494 308 H TYR 41 H TYR 41 14.820 -5.734 5.377 309 HA TYR 41 HA TYR 41 16.791 -4.683 4.892 310 HB2 TYR 41 2HB TYR 41 17.361 -4.123 7.781 311 HB3 TYR 41 1HB TYR 41 17.753 -3.159 6.363 312 HD1 TYR 41 2HD TYR 41 15.642 -2.209 5.071 313 HD2 TYR 41 1HD TYR 41 15.644 -3.424 9.149 314 HE1 TYR 41 2HE TYR 41 13.667 -0.803 5.483 315 HE2 TYR 41 1HE TYR 41 13.667 -2.022 9.572 316 HH TYR 41 HH TYR 41 12.561 0.314 7.365 317 H GLU 42 H GLU 42 17.216 -6.186 8.097 318 HA GLU 42 HA GLU 42 19.765 -7.264 7.454 319 HB2 GLU 42 2HB GLU 42 18.371 -6.823 9.770 320 HB3 GLU 42 1HB GLU 42 18.274 -8.573 9.624 321 HG2 GLU 42 2HG GLU 42 20.855 -7.043 9.468 322 HG3 GLU 42 1HG GLU 42 20.198 -7.697 10.968 323 H THR 43 H THR 43 16.593 -8.760 7.937 324 HA THR 43 HA THR 43 17.529 -11.225 6.687 325 HB THR 43 HB THR 43 15.319 -12.125 7.344 326 HG1 THR 43 1HG THR 43 13.922 -10.497 7.370 327 HG21 THR 43 3HG2 THR 43 15.970 -10.871 9.876 328 HG22 THR 43 1HG2 THR 43 17.376 -11.552 9.058 329 HG23 THR 43 2HG2 THR 43 15.982 -12.572 9.412 330 H GLU 44 H GLU 44 15.454 -8.491 6.097 331 HA GLU 44 HA GLU 44 14.212 -7.835 4.318 332 HB2 GLU 44 2HB GLU 44 16.751 -8.737 3.379 333 HB3 GLU 44 1HB GLU 44 15.546 -9.162 2.174 334 HG2 GLU 44 2HG GLU 44 14.922 -6.934 1.844 335 HG3 GLU 44 1HG GLU 44 15.699 -6.408 3.337 336 H LYS 45 H LYS 45 12.699 -9.590 5.407 337 HA LYS 45 HA LYS 45 12.037 -11.611 3.368 338 HB2 LYS 45 2HB LYS 45 11.330 -11.626 6.303 339 HB3 LYS 45 1HB LYS 45 10.993 -12.905 5.144 340 HG2 LYS 45 2HG LYS 45 13.388 -13.276 4.847 341 HG3 LYS 45 1HG LYS 45 13.732 -11.983 5.997 342 HD2 LYS 45 2HD LYS 45 13.609 -13.455 7.660 343 HD3 LYS 45 1HD LYS 45 11.915 -13.741 7.260 344 HE2 LYS 45 2HE LYS 45 12.405 -15.599 5.954 345 HE3 LYS 45 1HE LYS 45 14.086 -15.120 5.730 346 HZ1 LYS 45 3HZ LYS 45 14.535 -16.554 7.352 347 HZ2 LYS 45 1HZ LYS 45 12.909 -16.714 7.792 348 HZ3 LYS 45 2HZ LYS 45 13.838 -15.449 8.428 349 H HIS 46 H HIS 46 11.013 -8.634 4.359 350 HA HIS 46 HA HIS 46 9.090 -7.447 4.073 351 HB2 HIS 46 2HB HIS 46 8.671 -9.776 2.261 352 HB3 HIS 46 1HB HIS 46 7.267 -8.787 2.652 353 HD1 HIS 46 1HD HIS 46 9.504 -9.085 0.049 354 HD2 HIS 46 2HD HIS 46 8.279 -5.835 2.324 355 HE1 HIS 46 1HE HIS 46 9.984 -7.059 -1.362 356 HE2 HIS 46 2HE HIS 46 9.331 -5.099 0.079 357 H ARG 47 H ARG 47 7.161 -7.124 5.127 358 HA ARG 47 HA ARG 47 6.372 -9.268 6.979 359 HB2 ARG 47 2HB ARG 47 6.526 -6.324 7.163 360 HB3 ARG 47 1HB ARG 47 5.119 -7.048 7.927 361 HG2 ARG 47 2HG ARG 47 6.524 -8.411 9.327 362 HG3 ARG 47 1HG ARG 47 7.968 -7.835 8.494 363 HD2 ARG 47 2HD ARG 47 6.266 -5.699 9.557 364 HD3 ARG 47 1HD ARG 47 6.932 -6.768 10.787 365 HE ARG 47 HE ARG 47 9.065 -6.020 10.275 366 HH11 ARG 47 1HH1 ARG 47 6.734 -4.632 8.067 367 HH12 ARG 47 2HH1 ARG 47 7.844 -3.463 7.442 368 HH21 ARG 47 1HH2 ARG 47 10.517 -4.476 9.445 369 HH22 ARG 47 2HH2 ARG 47 9.984 -3.371 8.222 370 H GLY 48 H GLY 48 4.623 -6.423 5.828 371 HA2 GLY 48 2HA GLY 48 2.892 -7.609 4.022 372 HA3 GLY 48 1HA GLY 48 2.160 -7.814 5.607 373 H PHE 49 H PHE 49 4.094 -5.091 4.436 374 HA PHE 49 HA PHE 49 1.686 -3.431 4.392 375 HB2 PHE 49 2HB PHE 49 4.180 -2.578 5.869 376 HB3 PHE 49 1HB PHE 49 2.602 -1.796 5.864 377 HD1 PHE 49 1HD PHE 49 0.704 -3.785 6.381 378 HD2 PHE 49 2HD PHE 49 4.638 -3.470 7.953 379 HE1 PHE 49 1HE PHE 49 0.026 -5.142 8.304 380 HE2 PHE 49 2HE PHE 49 3.968 -4.824 9.898 381 HZ PHE 49 HZ PHE 49 1.658 -5.662 10.079 382 H ALA 50 H ALA 50 1.887 -1.511 3.136 383 HA ALA 50 HA ALA 50 4.384 -1.080 1.712 384 HB1 ALA 50 1HB ALA 50 3.770 -2.506 0.086 385 HB2 ALA 50 2HB ALA 50 2.801 -1.139 -0.464 386 HB3 ALA 50 3HB ALA 50 2.058 -2.415 0.503 387 H PHE 51 H PHE 51 4.132 0.691 0.047 388 HA PHE 51 HA PHE 51 2.332 2.789 1.077 389 HB2 PHE 51 2HB PHE 51 5.203 2.774 0.454 390 HB3 PHE 51 1HB PHE 51 4.337 4.113 -0.291 391 HD1 PHE 51 1HD PHE 51 3.112 5.730 1.133 392 HD2 PHE 51 2HD PHE 51 5.642 2.728 2.779 393 HE1 PHE 51 1HE PHE 51 3.207 6.977 3.252 394 HE2 PHE 51 2HE PHE 51 5.737 3.968 4.902 395 HZ PHE 51 HZ PHE 51 4.520 6.095 5.139 396 H VAL 52 H VAL 52 1.159 3.992 -0.432 397 HA VAL 52 HA VAL 52 1.423 3.103 -3.233 398 HB VAL 52 HB VAL 52 -1.157 3.920 -1.872 399 HG11 VAL 52 1HG1 VAL 52 -0.669 2.684 -4.582 400 HG12 VAL 52 2HG1 VAL 52 -1.060 4.379 -4.289 401 HG13 VAL 52 3HG1 VAL 52 -2.232 3.122 -3.893 402 HG21 VAL 52 3HG2 VAL 52 -1.501 1.325 -2.531 403 HG22 VAL 52 1HG2 VAL 52 -0.974 1.876 -0.941 404 HG23 VAL 52 2HG2 VAL 52 0.214 1.323 -2.121 405 H GLU 53 H GLU 53 1.888 4.638 -4.657 406 HA GLU 53 HA GLU 53 1.557 7.457 -3.892 407 HB2 GLU 53 2HB GLU 53 3.631 5.977 -5.219 408 HB3 GLU 53 1HB GLU 53 3.050 7.233 -6.288 409 HG2 GLU 53 2HG GLU 53 3.529 8.142 -3.568 410 HG3 GLU 53 1HG GLU 53 4.963 7.493 -4.368 411 H PHE 54 H PHE 54 0.396 8.850 -5.216 412 HA PHE 54 HA PHE 54 -0.922 7.591 -7.520 413 HB2 PHE 54 2HB PHE 54 -2.120 9.436 -5.456 414 HB3 PHE 54 1HB PHE 54 -2.911 9.009 -6.970 415 HD1 PHE 54 1HD PHE 54 -3.647 6.696 -7.380 416 HD2 PHE 54 2HD PHE 54 -2.006 7.907 -3.645 417 HE1 PHE 54 1HE PHE 54 -4.540 4.658 -6.330 418 HE2 PHE 54 2HE PHE 54 -2.892 5.873 -2.595 419 HZ PHE 54 HZ PHE 54 -4.164 4.252 -3.933 420 H GLU 55 H GLU 55 -1.518 8.951 -9.230 421 HA GLU 55 HA GLU 55 0.405 11.010 -9.759 422 HB2 GLU 55 2HB GLU 55 -1.092 9.324 -11.332 423 HB3 GLU 55 1HB GLU 55 -1.934 10.854 -11.541 424 HG2 GLU 55 2HG GLU 55 -0.146 11.855 -12.572 425 HG3 GLU 55 1HG GLU 55 1.030 10.778 -11.820 426 H LEU 56 H LEU 56 -2.899 10.784 -8.743 427 HA LEU 56 HA LEU 56 -3.057 13.728 -8.593 428 HB2 LEU 56 2HB LEU 56 -5.267 11.713 -8.968 429 HB3 LEU 56 1HB LEU 56 -5.508 13.439 -8.785 430 HG LEU 56 HG LEU 56 -3.932 12.198 -11.038 431 HD11 LEU 56 1HD1 LEU 56 -6.768 13.209 -11.138 432 HD12 LEU 56 2HD1 LEU 56 -6.334 11.504 -11.008 433 HD13 LEU 56 3HD1 LEU 56 -5.855 12.431 -12.430 434 HD21 LEU 56 3HD2 LEU 56 -3.253 14.398 -10.939 435 HD22 LEU 56 1HD2 LEU 56 -4.813 14.965 -10.339 436 HD23 LEU 56 2HD2 LEU 56 -4.634 14.505 -12.032 437 H ALA 57 H ALA 57 -3.285 14.580 -6.618 438 HA ALA 57 HA ALA 57 -3.195 12.999 -4.292 439 HB1 ALA 57 1HB ALA 57 -3.852 15.917 -4.661 440 HB2 ALA 57 2HB ALA 57 -2.288 15.213 -4.250 441 HB3 ALA 57 3HB ALA 57 -3.617 15.145 -3.092 442 H GLU 58 H GLU 58 -5.851 14.331 -6.120 443 HA GLU 58 HA GLU 58 -7.821 13.994 -4.075 444 HB2 GLU 58 2HB GLU 58 -7.948 15.566 -6.077 445 HB3 GLU 58 1HB GLU 58 -8.345 14.150 -7.037 446 HG2 GLU 58 2HG GLU 58 -10.461 14.657 -6.557 447 HG3 GLU 58 1HG GLU 58 -10.117 13.926 -4.990 448 H ASP 59 H ASP 59 -6.612 12.038 -6.727 449 HA ASP 59 HA ASP 59 -8.638 10.086 -6.700 450 HB2 ASP 59 2HB ASP 59 -7.258 8.813 -8.126 451 HB3 ASP 59 1HB ASP 59 -6.864 10.483 -8.495 452 H ALA 60 H ALA 60 -5.657 10.422 -4.870 453 HA ALA 60 HA ALA 60 -5.518 7.871 -3.760 454 HB1 ALA 60 1HB ALA 60 -3.933 8.719 -2.297 455 HB2 ALA 60 2HB ALA 60 -4.721 10.293 -2.197 456 HB3 ALA 60 3HB ALA 60 -3.846 9.838 -3.658 457 H ALA 61 H ALA 61 -7.294 10.735 -2.655 458 HA ALA 61 HA ALA 61 -8.139 9.839 -0.170 459 HB1 ALA 61 1HB ALA 61 -8.497 12.121 -1.257 460 HB2 ALA 61 2HB ALA 61 -9.796 11.496 -0.241 461 HB3 ALA 61 3HB ALA 61 -9.932 11.411 -1.996 462 H ALA 62 H ALA 62 -9.307 9.031 -3.354 463 HA ALA 62 HA ALA 62 -11.691 7.711 -2.565 464 HB1 ALA 62 1HB ALA 62 -11.955 7.874 -4.776 465 HB2 ALA 62 2HB ALA 62 -10.843 6.518 -4.945 466 HB3 ALA 62 3HB ALA 62 -10.236 8.172 -5.022 467 H ALA 63 H ALA 63 -8.384 6.628 -3.234 468 HA ALA 63 HA ALA 63 -8.818 3.868 -2.765 469 HB1 ALA 63 1HB ALA 63 -6.570 5.611 -3.268 470 HB2 ALA 63 2HB ALA 63 -6.733 3.882 -3.575 471 HB3 ALA 63 3HB ALA 63 -6.184 4.449 -2.000 472 H ILE 64 H ILE 64 -8.133 6.632 -0.778 473 HA ILE 64 HA ILE 64 -7.568 5.326 1.662 474 HB ILE 64 HB ILE 64 -8.629 8.076 1.016 475 HG12 ILE 64 2HG1 ILE 64 -5.874 7.184 1.898 476 HG13 ILE 64 1HG1 ILE 64 -6.333 7.538 0.240 477 HG21 ILE 64 1HG2 ILE 64 -8.668 6.809 3.543 478 HG22 ILE 64 2HG2 ILE 64 -8.962 8.509 3.181 479 HG23 ILE 64 3HG2 ILE 64 -7.336 7.961 3.584 480 HD11 ILE 64 3HD1 ILE 64 -5.907 9.679 0.547 481 HD12 ILE 64 1HD1 ILE 64 -5.357 9.308 2.180 482 HD13 ILE 64 2HD1 ILE 64 -7.041 9.746 1.895 483 H ASP 65 H ASP 65 -10.510 6.916 0.443 484 HA ASP 65 HA ASP 65 -12.106 6.027 2.644 485 HB2 ASP 65 2HB ASP 65 -12.556 8.141 1.476 486 HB3 ASP 65 1HB ASP 65 -12.929 7.251 0.001 487 H ASN 66 H ASN 66 -11.152 4.599 -0.307 488 HA ASN 66 HA ASN 66 -13.483 2.814 -0.318 489 HB2 ASN 66 2HB ASN 66 -12.674 3.938 -2.436 490 HB3 ASN 66 1HB ASN 66 -11.265 2.886 -2.359 491 HD21 ASN 66 1HD2 ASN 66 -14.791 2.616 -2.058 492 HD22 ASN 66 2HD2 ASN 66 -14.937 1.204 -3.042 493 H MET 67 H MET 67 -9.959 2.696 -0.029 494 HA MET 67 HA MET 67 -9.989 -0.184 0.244 495 HB2 MET 67 2HB MET 67 -8.147 1.399 -0.782 496 HB3 MET 67 1HB MET 67 -7.588 1.464 0.882 497 HG2 MET 67 2HG MET 67 -6.357 -0.285 0.097 498 HG3 MET 67 1HG MET 67 -7.765 -1.142 0.720 499 HE1 MET 67 3HE MET 67 -8.768 -3.284 -1.580 500 HE2 MET 67 1HE MET 67 -9.923 -1.984 -1.883 501 HE3 MET 67 2HE MET 67 -9.289 -2.242 -0.258 502 H ASN 68 H ASN 68 -10.111 2.550 2.364 503 HA ASN 68 HA ASN 68 -8.950 1.576 4.674 504 HB2 ASN 68 2HB ASN 68 -10.278 3.841 4.083 505 HB3 ASN 68 1HB ASN 68 -11.504 3.031 5.043 506 HD21 ASN 68 1HD2 ASN 68 -11.430 4.244 6.839 507 HD22 ASN 68 2HD2 ASN 68 -10.042 4.403 7.855 508 H GLU 69 H GLU 69 -9.268 -0.278 5.661 509 HA GLU 69 HA GLU 69 -10.273 -2.017 6.720 510 HB2 GLU 69 2HB GLU 69 -11.774 0.039 7.459 511 HB3 GLU 69 1HB GLU 69 -12.981 -0.783 6.478 512 HG2 GLU 69 2HG GLU 69 -13.385 -1.640 8.572 513 HG3 GLU 69 1HG GLU 69 -12.332 -2.867 7.871 514 H SER 70 H SER 70 -9.808 -2.429 4.113 515 HA SER 70 HA SER 70 -12.265 -3.640 3.039 516 HB2 SER 70 2HB SER 70 -10.661 -1.953 1.731 517 HB3 SER 70 1HB SER 70 -9.797 -3.449 1.378 518 HG SER 70 HG SER 70 -12.578 -3.119 0.958 519 H GLU 71 H GLU 71 -11.114 -5.473 1.303 520 HA GLU 71 HA GLU 71 -9.570 -7.272 3.035 521 HB2 GLU 71 2HB GLU 71 -12.289 -7.598 2.499 522 HB3 GLU 71 1HB GLU 71 -11.493 -8.719 1.403 523 HG2 GLU 71 2HG GLU 71 -10.179 -9.471 3.489 524 HG3 GLU 71 1HG GLU 71 -11.455 -8.655 4.392 525 H LEU 72 H LEU 72 -7.890 -8.177 2.031 526 HA LEU 72 HA LEU 72 -7.955 -8.495 -0.882 527 HB2 LEU 72 2HB LEU 72 -6.484 -6.486 0.462 528 HB3 LEU 72 1HB LEU 72 -5.322 -7.676 -0.093 529 HG LEU 72 HG LEU 72 -6.325 -7.459 -2.390 530 HD11 LEU 72 1HD1 LEU 72 -8.098 -5.669 -0.913 531 HD12 LEU 72 2HD1 LEU 72 -8.319 -6.459 -2.475 532 HD13 LEU 72 3HD1 LEU 72 -7.420 -4.946 -2.373 533 HD21 LEU 72 3HD2 LEU 72 -5.386 -4.982 -2.572 534 HD22 LEU 72 1HD2 LEU 72 -4.330 -6.369 -2.304 535 HD23 LEU 72 2HD2 LEU 72 -4.812 -5.354 -0.947 536 H PHE 73 H PHE 73 -7.375 -10.504 -1.405 537 HA PHE 73 HA PHE 73 -6.524 -12.612 -1.260 538 HB2 PHE 73 2HB PHE 73 -4.361 -10.987 0.063 539 HB3 PHE 73 1HB PHE 73 -4.227 -12.739 -0.060 540 HD1 PHE 73 1HD PHE 73 -4.871 -13.599 -2.554 541 HD2 PHE 73 2HD PHE 73 -3.245 -9.795 -1.546 542 HE1 PHE 73 1HE PHE 73 -3.984 -13.378 -4.837 543 HE2 PHE 73 2HE PHE 73 -2.354 -9.568 -3.829 544 HZ PHE 73 HZ PHE 73 -2.724 -11.362 -5.476 545 H GLY 74 H GLY 74 -8.478 -11.886 0.617 546 HA2 GLY 74 2HA GLY 74 -9.497 -12.823 2.454 547 HA3 GLY 74 1HA GLY 74 -8.172 -13.976 2.527 548 H ARG 75 H ARG 75 -7.144 -10.732 2.540 549 HA ARG 75 HA ARG 75 -6.858 -10.801 5.465 550 HB2 ARG 75 2HB ARG 75 -4.919 -9.551 3.520 551 HB3 ARG 75 1HB ARG 75 -4.703 -9.756 5.254 552 HG2 ARG 75 2HG ARG 75 -5.234 -12.268 3.898 553 HG3 ARG 75 1HG ARG 75 -3.795 -11.451 3.283 554 HD2 ARG 75 2HD ARG 75 -2.742 -11.491 5.360 555 HD3 ARG 75 1HD ARG 75 -4.256 -11.753 6.224 556 HE ARG 75 HE ARG 75 -2.535 -13.750 5.155 557 HH11 ARG 75 1HH1 ARG 75 -5.892 -13.011 5.768 558 HH12 ARG 75 2HH1 ARG 75 -6.363 -14.673 5.891 559 HH21 ARG 75 1HH2 ARG 75 -3.154 -15.935 5.312 560 HH22 ARG 75 2HH2 ARG 75 -4.810 -16.332 5.634 561 H THR 76 H THR 76 -7.332 -9.025 6.596 562 HA THR 76 HA THR 76 -8.867 -6.960 5.344 563 HB THR 76 HB THR 76 -7.877 -7.116 8.198 564 HG1 THR 76 1HG THR 76 -10.349 -8.033 7.163 565 HG21 THR 76 3HG2 THR 76 -10.501 -5.986 7.777 566 HG22 THR 76 1HG2 THR 76 -9.241 -5.062 6.959 567 HG23 THR 76 2HG2 THR 76 -9.131 -5.363 8.694 568 H ILE 77 H ILE 77 -8.048 -5.177 4.451 569 HA ILE 77 HA ILE 77 -5.377 -4.297 5.295 570 HB ILE 77 HB ILE 77 -5.311 -3.097 3.088 571 HG12 ILE 77 2HG1 ILE 77 -7.674 -4.877 2.452 572 HG13 ILE 77 1HG1 ILE 77 -7.759 -3.133 2.681 573 HG21 ILE 77 1HG2 ILE 77 -3.973 -4.843 2.767 574 HG22 ILE 77 2HG2 ILE 77 -5.322 -5.580 1.902 575 HG23 ILE 77 3HG2 ILE 77 -5.063 -5.944 3.608 576 HD11 ILE 77 3HD1 ILE 77 -6.162 -4.523 0.545 577 HD12 ILE 77 1HD1 ILE 77 -6.348 -2.782 0.751 578 HD13 ILE 77 2HD1 ILE 77 -7.743 -3.773 0.318 579 H ARG 78 H ARG 78 -4.957 -2.101 5.483 580 HA ARG 78 HA ARG 78 -7.266 -0.300 5.656 581 HB2 ARG 78 2HB ARG 78 -6.746 -1.114 7.932 582 HB3 ARG 78 1HB ARG 78 -5.097 -0.529 7.752 583 HG2 ARG 78 2HG ARG 78 -6.020 1.766 7.448 584 HG3 ARG 78 1HG ARG 78 -7.614 1.117 7.838 585 HD2 ARG 78 2HD ARG 78 -6.574 0.251 9.984 586 HD3 ARG 78 1HD ARG 78 -5.182 1.265 9.600 587 HE ARG 78 HE ARG 78 -7.492 2.838 9.469 588 HH11 ARG 78 1HH1 ARG 78 -5.571 1.139 11.831 589 HH12 ARG 78 2HH1 ARG 78 -5.989 2.208 13.125 590 HH21 ARG 78 1HH2 ARG 78 -8.046 4.248 11.169 591 HH22 ARG 78 2HH2 ARG 78 -7.395 3.974 12.751 592 H VAL 79 H VAL 79 -6.876 1.758 4.931 593 HA VAL 79 HA VAL 79 -4.104 2.325 4.118 594 HB VAL 79 HB VAL 79 -6.657 3.077 2.697 595 HG11 VAL 79 1HG1 VAL 79 -5.105 4.009 0.961 596 HG12 VAL 79 2HG1 VAL 79 -3.802 3.859 2.142 597 HG13 VAL 79 3HG1 VAL 79 -5.167 4.927 2.466 598 HG21 VAL 79 3HG2 VAL 79 -4.409 1.177 2.082 599 HG22 VAL 79 1HG2 VAL 79 -5.535 1.749 0.852 600 HG23 VAL 79 2HG2 VAL 79 -6.130 0.823 2.231 601 H ASN 80 H ASN 80 -3.384 4.500 4.191 602 HA ASN 80 HA ASN 80 -5.051 6.525 5.370 603 HB2 ASN 80 2HB ASN 80 -2.946 5.115 6.953 604 HB3 ASN 80 1HB ASN 80 -3.235 6.828 7.241 605 HD21 ASN 80 1HD2 ASN 80 -3.706 4.408 8.897 606 HD22 ASN 80 2HD2 ASN 80 -5.371 4.492 9.351 607 H LEU 81 H LEU 81 -3.869 8.588 5.690 608 HA LEU 81 HA LEU 81 -2.300 9.170 3.385 609 HB2 LEU 81 2HB LEU 81 -3.960 10.675 4.669 610 HB3 LEU 81 1HB LEU 81 -2.615 10.999 5.745 611 HG LEU 81 HG LEU 81 -1.583 11.441 3.183 612 HD11 LEU 81 1HD1 LEU 81 -4.457 12.147 3.341 613 HD12 LEU 81 2HD1 LEU 81 -3.473 11.692 1.950 614 HD13 LEU 81 3HD1 LEU 81 -3.367 13.324 2.608 615 HD21 LEU 81 3HD2 LEU 81 -0.836 12.804 4.900 616 HD22 LEU 81 1HD2 LEU 81 -2.468 13.182 5.450 617 HD23 LEU 81 2HD2 LEU 81 -1.851 13.898 3.960 618 H ALA 82 H ALA 82 -1.384 7.713 6.205 619 HA ALA 82 HA ALA 82 0.665 7.178 7.046 620 HB1 ALA 82 1HB ALA 82 2.263 8.937 5.323 621 HB2 ALA 82 2HB ALA 82 1.254 7.775 4.461 622 HB3 ALA 82 3HB ALA 82 2.426 7.212 5.653 623 H LYS 83 H LYS 83 2.134 8.010 8.560 624 HA LYS 83 HA LYS 83 2.836 9.428 10.192 625 HB2 LYS 83 2HB LYS 83 3.088 10.838 7.746 626 HB3 LYS 83 1HB LYS 83 2.467 11.980 8.928 627 HG2 LYS 83 2HG LYS 83 4.345 11.232 10.445 628 HG3 LYS 83 1HG LYS 83 5.017 10.397 9.043 629 HD2 LYS 83 2HD LYS 83 5.219 12.461 7.836 630 HD3 LYS 83 1HD LYS 83 4.355 13.339 9.100 631 HE2 LYS 83 2HE LYS 83 6.494 13.859 9.687 632 HE3 LYS 83 1HE LYS 83 6.303 12.364 10.600 633 HZ1 LYS 83 3HZ LYS 83 8.031 11.552 9.507 634 HZ2 LYS 83 1HZ LYS 83 8.155 12.953 8.569 635 HZ3 LYS 83 2HZ LYS 83 7.180 11.673 8.050
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