NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17835 | 2d7p | 10331 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -33.850 -6.999 8.305 2 HA2 GLY 1 1HA GLY 1 -33.448 -8.672 5.935 3 HA3 GLY 1 2HA GLY 1 -32.228 -7.681 6.723 4 H SER 2 H SER 2 -34.364 -10.397 7.616 5 HA SER 2 HA SER 2 -32.442 -11.459 9.451 6 HB2 SER 2 1HB SER 2 -34.992 -11.704 9.565 7 HB3 SER 2 2HB SER 2 -34.810 -12.960 8.340 8 HG SER 2 HG SER 2 -33.240 -13.053 10.665 9 H SER 3 H SER 3 -33.722 -12.584 6.322 10 HA SER 3 HA SER 3 -31.820 -14.718 6.137 11 HB2 SER 3 1HB SER 3 -33.986 -13.620 4.409 12 HB3 SER 3 2HB SER 3 -32.732 -14.586 3.633 13 HG SER 3 HG SER 3 -34.597 -15.334 5.598 14 H GLY 4 H GLY 4 -30.149 -14.927 4.557 15 HA2 GLY 4 1HA GLY 4 -28.664 -14.064 2.921 16 HA3 GLY 4 2HA GLY 4 -29.231 -12.444 3.300 17 H SER 5 H SER 5 -26.640 -12.568 3.098 18 HA SER 5 HA SER 5 -25.466 -13.139 5.711 19 HB2 SER 5 1HB SER 5 -24.226 -12.372 3.060 20 HB3 SER 5 2HB SER 5 -23.303 -12.604 4.545 21 HG SER 5 HG SER 5 -24.522 -14.470 2.895 22 H SER 6 H SER 6 -23.689 -11.454 6.339 23 HA SER 6 HA SER 6 -25.083 -8.959 6.753 24 HB2 SER 6 1HB SER 6 -22.622 -10.242 7.853 25 HB3 SER 6 2HB SER 6 -22.772 -8.489 7.976 26 HG SER 6 HG SER 6 -24.332 -10.502 9.149 27 H GLY 7 H GLY 7 -24.931 -7.272 5.442 28 HA2 GLY 7 1HA GLY 7 -22.592 -7.087 3.659 29 HA3 GLY 7 2HA GLY 7 -24.167 -6.377 3.338 30 H SER 8 H SER 8 -21.061 -5.854 4.576 31 HA SER 8 HA SER 8 -21.896 -3.249 5.674 32 HB2 SER 8 1HB SER 8 -19.545 -4.978 6.478 33 HB3 SER 8 2HB SER 8 -19.840 -3.347 7.080 34 HG SER 8 HG SER 8 -20.639 -5.089 8.439 35 H ASP 9 H ASP 9 -18.982 -4.832 4.355 36 HA ASP 9 HA ASP 9 -18.722 -2.996 2.209 37 HB2 ASP 9 1HB ASP 9 -16.407 -2.165 3.195 38 HB3 ASP 9 2HB ASP 9 -17.908 -1.313 3.544 39 H ASP 10 H ASP 10 -17.471 -3.867 0.662 40 HA ASP 10 HA ASP 10 -16.276 -6.439 1.153 41 HB2 ASP 10 1HB ASP 10 -16.087 -4.849 -1.402 42 HB3 ASP 10 2HB ASP 10 -16.002 -6.596 -1.200 43 H ALA 11 H ALA 11 -15.212 -3.208 1.197 44 HA ALA 11 HA ALA 11 -12.554 -3.461 0.341 45 HB1 ALA 11 1HB ALA 11 -12.468 -1.291 0.819 46 HB2 ALA 11 2HB ALA 11 -14.147 -1.425 1.345 47 HB3 ALA 11 3HB ALA 11 -12.840 -1.579 2.519 48 H ARG 12 H ARG 12 -14.111 -4.298 3.348 49 HA ARG 12 HA ARG 12 -11.853 -4.467 5.004 50 HB2 ARG 12 1HB ARG 12 -13.208 -5.800 6.474 51 HB3 ARG 12 2HB ARG 12 -14.225 -4.547 5.775 52 HG2 ARG 12 1HG ARG 12 -15.612 -6.328 5.544 53 HG3 ARG 12 2HG ARG 12 -14.741 -6.446 4.014 54 HD2 ARG 12 1HD ARG 12 -13.472 -8.245 4.727 55 HD3 ARG 12 2HD ARG 12 -13.706 -7.864 6.432 56 HE ARG 12 HE ARG 12 -15.330 -9.553 4.836 57 HH11 ARG 12 1HH1 ARG 12 -15.481 -7.212 7.409 58 HH12 ARG 12 2HH1 ARG 12 -16.930 -7.867 8.096 59 HH21 ARG 12 1HH2 ARG 12 -17.238 -10.424 5.731 60 HH22 ARG 12 2HH2 ARG 12 -17.928 -9.695 7.141 61 H ARG 13 H ARG 13 -12.852 -6.407 2.378 62 HA ARG 13 HA ARG 13 -11.468 -8.796 3.219 63 HB2 ARG 13 1HB ARG 13 -12.676 -8.024 0.557 64 HB3 ARG 13 2HB ARG 13 -12.009 -9.606 0.933 65 HG2 ARG 13 1HG ARG 13 -13.773 -10.196 2.248 66 HG3 ARG 13 2HG ARG 13 -14.122 -8.530 2.716 67 HD2 ARG 13 1HD ARG 13 -15.878 -8.893 1.311 68 HD3 ARG 13 2HD ARG 13 -14.693 -8.315 0.141 69 HE ARG 13 HE ARG 13 -14.725 -10.378 -0.830 70 HH11 ARG 13 1HH1 ARG 13 -15.989 -10.647 2.402 71 HH12 ARG 13 2HH1 ARG 13 -16.444 -12.310 2.226 72 HH21 ARG 13 1HH2 ARG 13 -15.319 -12.567 -1.075 73 HH22 ARG 13 2HH2 ARG 13 -16.061 -13.401 0.248 74 H LEU 14 H LEU 14 -10.700 -5.893 1.544 75 HA LEU 14 HA LEU 14 -8.530 -6.811 -0.015 76 HB2 LEU 14 1HB LEU 14 -8.837 -4.064 1.176 77 HB3 LEU 14 2HB LEU 14 -7.930 -4.514 -0.267 78 HG LEU 14 HG LEU 14 -10.934 -4.647 -0.013 79 HD11 LEU 14 1HD1 LEU 14 -10.259 -2.740 -1.901 80 HD12 LEU 14 2HD1 LEU 14 -9.147 -2.436 -0.567 81 HD13 LEU 14 3HD1 LEU 14 -10.887 -2.440 -0.280 82 HD21 LEU 14 1HD2 LEU 14 -10.416 -4.590 -2.645 83 HD22 LEU 14 2HD2 LEU 14 -10.591 -6.083 -1.723 84 HD23 LEU 14 3HD2 LEU 14 -8.983 -5.449 -2.079 85 H THR 15 H THR 15 -6.436 -7.167 0.452 86 HA THR 15 HA THR 15 -5.391 -6.340 3.060 87 HB THR 15 HB THR 15 -4.296 -8.616 3.283 88 HG1 THR 15 1HG THR 15 -6.368 -9.463 1.533 89 HG21 THR 15 1HG2 THR 15 -7.242 -9.018 3.420 90 HG22 THR 15 2HG2 THR 15 -6.537 -7.707 4.367 91 HG23 THR 15 3HG2 THR 15 -5.997 -9.366 4.620 92 H VAL 16 H VAL 16 -2.997 -6.662 3.197 93 HA VAL 16 HA VAL 16 -1.656 -6.693 0.595 94 HB VAL 16 HB VAL 16 -1.203 -4.499 2.622 95 HG11 VAL 16 1HG1 VAL 16 0.435 -3.651 1.237 96 HG12 VAL 16 2HG1 VAL 16 0.686 -5.389 1.060 97 HG13 VAL 16 3HG1 VAL 16 -0.183 -4.492 -0.185 98 HG21 VAL 16 1HG2 VAL 16 -2.043 -3.232 0.391 99 HG22 VAL 16 2HG2 VAL 16 -3.001 -4.710 0.297 100 HG23 VAL 16 3HG2 VAL 16 -3.106 -3.681 1.725 101 H THR 17 H THR 17 0.106 -7.920 0.657 102 HA THR 17 HA THR 17 1.392 -8.395 3.268 103 HB THR 17 HB THR 17 1.096 -10.343 0.973 104 HG1 THR 17 1HG THR 17 -0.793 -10.352 2.095 105 HG21 THR 17 1HG2 THR 17 3.125 -10.214 2.883 106 HG22 THR 17 2HG2 THR 17 2.710 -11.598 1.870 107 HG23 THR 17 3HG2 THR 17 2.015 -11.445 3.484 108 H SER 18 H SER 18 2.049 -8.718 -0.227 109 HA SER 18 HA SER 18 4.724 -8.850 -0.328 110 HB2 SER 18 1HB SER 18 2.762 -7.377 -2.032 111 HB3 SER 18 2HB SER 18 4.482 -7.127 -2.331 112 HG SER 18 HG SER 18 3.550 -9.748 -2.054 113 H LEU 19 H LEU 19 2.897 -5.874 0.268 114 HA LEU 19 HA LEU 19 4.894 -3.997 0.251 115 HB2 LEU 19 1HB LEU 19 2.593 -3.390 0.584 116 HB3 LEU 19 2HB LEU 19 2.549 -4.240 2.128 117 HG LEU 19 HG LEU 19 4.311 -2.551 2.901 118 HD11 LEU 19 1HD1 LEU 19 3.286 -0.562 1.039 119 HD12 LEU 19 2HD1 LEU 19 4.273 -1.798 0.260 120 HD13 LEU 19 3HD1 LEU 19 4.934 -0.854 1.596 121 HD21 LEU 19 1HD2 LEU 19 1.774 -2.634 3.383 122 HD22 LEU 19 2HD2 LEU 19 1.678 -1.272 2.265 123 HD23 LEU 19 3HD2 LEU 19 2.658 -1.147 3.727 124 H GLN 20 H GLN 20 6.524 -3.362 1.572 125 HA GLN 20 HA GLN 20 7.112 -5.114 3.856 126 HB2 GLN 20 1HB GLN 20 8.715 -4.686 1.798 127 HB3 GLN 20 2HB GLN 20 9.139 -3.244 2.711 128 HG2 GLN 20 1HG GLN 20 10.043 -4.460 4.463 129 HG3 GLN 20 2HG GLN 20 9.179 -5.931 4.017 130 HE21 GLN 20 1HE2 GLN 20 9.829 -6.952 1.974 131 HE22 GLN 20 2HE2 GLN 20 11.494 -6.894 1.520 132 H GLU 21 H GLU 21 6.293 -4.236 5.659 133 HA GLU 21 HA GLU 21 5.716 -1.605 6.193 134 HB2 GLU 21 1HB GLU 21 6.627 -3.744 8.124 135 HB3 GLU 21 2HB GLU 21 5.910 -2.213 8.607 136 HG2 GLU 21 1HG GLU 21 3.837 -2.775 7.568 137 HG3 GLU 21 2HG GLU 21 4.537 -4.219 6.837 138 H THR 22 H THR 22 8.688 -3.315 7.174 139 HA THR 22 HA THR 22 10.049 -0.700 7.242 140 HB THR 22 HB THR 22 11.556 -1.700 8.994 141 HG1 THR 22 1HG THR 22 10.579 -3.919 8.419 142 HG21 THR 22 1HG2 THR 22 8.622 -1.380 9.628 143 HG22 THR 22 2HG2 THR 22 9.861 -0.126 9.660 144 HG23 THR 22 3HG2 THR 22 9.901 -1.436 10.840 145 H GLY 23 H GLY 23 11.744 -0.514 5.926 146 HA2 GLY 23 1HA GLY 23 13.902 -1.906 5.436 147 HA3 GLY 23 2HA GLY 23 12.743 -2.934 4.605 148 H LEU 24 H LEU 24 11.180 -0.435 3.893 149 HA LEU 24 HA LEU 24 12.328 -0.054 1.329 150 HB2 LEU 24 1HB LEU 24 10.268 1.705 2.636 151 HB3 LEU 24 2HB LEU 24 10.535 1.453 0.912 152 HG LEU 24 HG LEU 24 9.379 -0.527 2.873 153 HD11 LEU 24 1HD1 LEU 24 7.328 -0.184 1.840 154 HD12 LEU 24 2HD1 LEU 24 8.055 0.575 0.424 155 HD13 LEU 24 3HD1 LEU 24 7.998 1.444 1.957 156 HD21 LEU 24 1HD2 LEU 24 10.153 -0.814 -0.021 157 HD22 LEU 24 2HD2 LEU 24 9.002 -1.885 0.778 158 HD23 LEU 24 3HD2 LEU 24 10.668 -1.798 1.349 159 H LYS 25 H LYS 25 13.696 1.448 0.577 160 HA LYS 25 HA LYS 25 14.653 3.480 2.474 161 HB2 LYS 25 1HB LYS 25 16.003 2.432 -0.020 162 HB3 LYS 25 2HB LYS 25 16.700 3.545 1.150 163 HG2 LYS 25 1HG LYS 25 16.674 1.828 2.852 164 HG3 LYS 25 2HG LYS 25 15.875 0.710 1.744 165 HD2 LYS 25 1HD LYS 25 18.500 1.958 1.018 166 HD3 LYS 25 2HD LYS 25 18.441 0.546 2.076 167 HE2 LYS 25 1HE LYS 25 17.078 -0.599 0.308 168 HE3 LYS 25 2HE LYS 25 17.410 0.774 -0.747 169 HZ1 LYS 25 1HZ LYS 25 19.199 -1.348 0.162 170 HZ2 LYS 25 2HZ LYS 25 19.869 0.193 -0.034 171 HZ3 LYS 25 3HZ LYS 25 19.115 -0.574 -1.340 172 H VAL 26 H VAL 26 15.767 5.358 1.016 173 HA VAL 26 HA VAL 26 13.513 6.637 -0.275 174 HB VAL 26 HB VAL 26 15.209 7.753 1.327 175 HG11 VAL 26 1HG1 VAL 26 16.733 8.019 -1.262 176 HG12 VAL 26 2HG1 VAL 26 17.155 8.740 0.293 177 HG13 VAL 26 3HG1 VAL 26 17.207 6.988 0.087 178 HG21 VAL 26 1HG2 VAL 26 13.410 8.766 -0.306 179 HG22 VAL 26 2HG2 VAL 26 14.555 9.805 0.542 180 HG23 VAL 26 3HG2 VAL 26 14.838 9.374 -1.144 181 H ASN 27 H ASN 27 13.628 7.618 -2.374 182 HA ASN 27 HA ASN 27 13.915 7.480 -4.629 183 HB2 ASN 27 1HB ASN 27 16.781 7.069 -3.750 184 HB3 ASN 27 2HB ASN 27 16.287 7.411 -5.405 185 HD21 ASN 27 1HD2 ASN 27 18.029 8.963 -3.749 186 HD22 ASN 27 2HD2 ASN 27 17.300 10.519 -3.564 187 H GLN 28 H GLN 28 13.396 4.987 -3.079 188 HA GLN 28 HA GLN 28 14.489 3.035 -4.995 189 HB2 GLN 28 1HB GLN 28 13.876 2.871 -2.083 190 HB3 GLN 28 2HB GLN 28 13.656 1.423 -3.056 191 HG2 GLN 28 1HG GLN 28 16.203 3.013 -2.847 192 HG3 GLN 28 2HG GLN 28 15.857 1.510 -1.992 193 HE21 GLN 28 1HE2 GLN 28 17.651 2.600 -4.351 194 HE22 GLN 28 2HE2 GLN 28 17.613 1.278 -5.462 195 HA PRO 29 HA PRO 29 10.375 2.522 -6.510 196 HB2 PRO 29 1HB PRO 29 10.756 0.181 -7.833 197 HB3 PRO 29 2HB PRO 29 11.355 1.733 -8.433 198 HG2 PRO 29 1HG PRO 29 12.821 -0.421 -6.958 199 HG3 PRO 29 2HG PRO 29 13.344 0.531 -8.360 200 HD2 PRO 29 1HD PRO 29 14.154 1.086 -5.836 201 HD3 PRO 29 2HD PRO 29 13.929 2.347 -7.066 202 H ALA 30 H ALA 30 8.966 2.088 -4.883 203 HA ALA 30 HA ALA 30 9.001 -0.600 -3.691 204 HB1 ALA 30 1HB ALA 30 8.888 1.833 -2.454 205 HB2 ALA 30 2HB ALA 30 7.189 1.362 -2.501 206 HB3 ALA 30 3HB ALA 30 8.377 0.303 -1.740 207 H SER 31 H SER 31 7.610 -2.007 -4.510 208 HA SER 31 HA SER 31 4.928 -1.087 -5.260 209 HB2 SER 31 1HB SER 31 4.993 -2.523 -7.285 210 HB3 SER 31 2HB SER 31 6.168 -1.210 -7.353 211 HG SER 31 HG SER 31 6.781 -3.566 -7.857 212 H PHE 32 H PHE 32 3.289 -2.572 -4.944 213 HA PHE 32 HA PHE 32 3.954 -5.262 -4.058 214 HB2 PHE 32 1HB PHE 32 2.290 -4.800 -2.066 215 HB3 PHE 32 2HB PHE 32 4.000 -4.412 -1.914 216 HD1 PHE 32 2HD PHE 32 4.697 -2.000 -2.487 217 HD2 PHE 32 1HD PHE 32 0.689 -3.178 -1.670 218 HE1 PHE 32 2HE PHE 32 4.121 0.334 -1.963 219 HE2 PHE 32 1HE PHE 32 0.107 -0.846 -1.145 220 HZ PHE 32 HZ PHE 32 1.824 0.913 -1.290 221 H ALA 33 H ALA 33 1.812 -6.444 -3.470 222 HA ALA 33 HA ALA 33 -0.170 -5.716 -5.523 223 HB1 ALA 33 1HB ALA 33 -0.256 -8.453 -4.480 224 HB2 ALA 33 2HB ALA 33 -0.318 -7.867 -6.143 225 HB3 ALA 33 3HB ALA 33 1.235 -8.037 -5.325 226 H VAL 34 H VAL 34 -2.307 -5.577 -5.007 227 HA VAL 34 HA VAL 34 -2.967 -5.779 -2.145 228 HB VAL 34 HB VAL 34 -4.457 -4.203 -4.244 229 HG11 VAL 34 1HG1 VAL 34 -5.334 -5.028 -1.818 230 HG12 VAL 34 2HG1 VAL 34 -4.613 -3.472 -1.402 231 HG13 VAL 34 3HG1 VAL 34 -5.881 -3.559 -2.626 232 HG21 VAL 34 1HG2 VAL 34 -2.790 -2.865 -2.182 233 HG22 VAL 34 2HG2 VAL 34 -1.970 -3.572 -3.574 234 HG23 VAL 34 3HG2 VAL 34 -3.210 -2.341 -3.813 235 H GLN 35 H GLN 35 -3.810 -7.755 -1.814 236 HA GLN 35 HA GLN 35 -5.398 -9.130 -3.745 237 HB2 GLN 35 1HB GLN 35 -3.979 -10.244 -2.009 238 HB3 GLN 35 2HB GLN 35 -5.137 -9.720 -0.793 239 HG2 GLN 35 1HG GLN 35 -6.866 -11.055 -1.782 240 HG3 GLN 35 2HG GLN 35 -5.822 -11.475 -3.138 241 HE21 GLN 35 1HE2 GLN 35 -3.494 -12.130 -1.980 242 HE22 GLN 35 2HE2 GLN 35 -3.687 -13.493 -0.936 243 H LEU 36 H LEU 36 -7.591 -9.436 -3.834 244 HA LEU 36 HA LEU 36 -9.191 -7.510 -2.321 245 HB2 LEU 36 1HB LEU 36 -10.230 -9.213 -4.551 246 HB3 LEU 36 2HB LEU 36 -10.791 -7.634 -4.006 247 HG LEU 36 HG LEU 36 -8.150 -8.058 -5.391 248 HD11 LEU 36 1HD1 LEU 36 -10.276 -8.697 -6.708 249 HD12 LEU 36 2HD1 LEU 36 -9.112 -7.599 -7.448 250 HD13 LEU 36 3HD1 LEU 36 -10.591 -6.961 -6.729 251 HD21 LEU 36 1HD2 LEU 36 -8.119 -6.023 -4.220 252 HD22 LEU 36 2HD2 LEU 36 -9.795 -5.660 -4.636 253 HD23 LEU 36 3HD2 LEU 36 -8.542 -5.590 -5.877 254 H ASN 37 H ASN 37 -8.816 -10.947 -2.883 255 HA ASN 37 HA ASN 37 -9.645 -12.776 -1.816 256 HB2 ASN 37 1HB ASN 37 -10.123 -10.664 0.279 257 HB3 ASN 37 2HB ASN 37 -10.570 -12.347 0.544 258 HD21 ASN 37 1HD2 ASN 37 -7.974 -10.087 0.211 259 HD22 ASN 37 2HD2 ASN 37 -6.708 -11.148 0.719 260 H GLY 38 H GLY 38 -11.299 -11.508 -3.717 261 HA2 GLY 38 1HA GLY 38 -13.478 -12.499 -4.258 262 HA3 GLY 38 2HA GLY 38 -13.960 -12.149 -2.605 263 H ALA 39 H ALA 39 -12.724 -9.504 -2.598 264 HA ALA 39 HA ALA 39 -14.910 -7.967 -3.409 265 HB1 ALA 39 1HB ALA 39 -12.213 -7.443 -2.382 266 HB2 ALA 39 2HB ALA 39 -12.903 -6.138 -3.347 267 HB3 ALA 39 3HB ALA 39 -13.762 -6.733 -1.926 268 H ARG 40 H ARG 40 -15.055 -6.338 -5.068 269 HA ARG 40 HA ARG 40 -13.258 -6.597 -7.344 270 HB2 ARG 40 1HB ARG 40 -16.123 -7.448 -7.336 271 HB3 ARG 40 2HB ARG 40 -15.462 -6.708 -8.789 272 HG2 ARG 40 1HG ARG 40 -14.024 -8.981 -7.496 273 HG3 ARG 40 2HG ARG 40 -15.431 -9.287 -8.516 274 HD2 ARG 40 1HD ARG 40 -13.282 -7.493 -9.533 275 HD3 ARG 40 2HD ARG 40 -12.996 -9.233 -9.519 276 HE ARG 40 HE ARG 40 -14.804 -7.778 -11.231 277 HH11 ARG 40 1HH1 ARG 40 -13.977 -10.871 -9.864 278 HH12 ARG 40 2HH1 ARG 40 -14.766 -11.780 -11.110 279 HH21 ARG 40 1HH2 ARG 40 -15.847 -8.963 -12.878 280 HH22 ARG 40 2HH2 ARG 40 -15.829 -10.693 -12.824 281 H GLY 41 H GLY 41 -12.675 -4.551 -7.673 282 HA2 GLY 41 1HA GLY 41 -14.530 -2.583 -8.504 283 HA3 GLY 41 2HA GLY 41 -14.059 -2.280 -6.838 284 H VAL 42 H VAL 42 -12.986 -0.368 -7.280 285 HA VAL 42 HA VAL 42 -10.545 -0.631 -8.914 286 HB VAL 42 HB VAL 42 -12.160 1.860 -8.347 287 HG11 VAL 42 1HG1 VAL 42 -9.803 1.645 -10.197 288 HG12 VAL 42 2HG1 VAL 42 -10.593 3.098 -9.581 289 HG13 VAL 42 3HG1 VAL 42 -9.624 2.093 -8.501 290 HG21 VAL 42 1HG2 VAL 42 -11.770 1.231 -11.122 291 HG22 VAL 42 2HG2 VAL 42 -12.508 -0.135 -10.287 292 HG23 VAL 42 3HG2 VAL 42 -13.274 1.452 -10.228 293 H ILE 43 H ILE 43 -8.618 -0.129 -8.019 294 HA ILE 43 HA ILE 43 -8.639 0.674 -5.189 295 HB ILE 43 HB ILE 43 -6.543 -0.829 -6.758 296 HG12 ILE 43 1HG1 ILE 43 -8.741 -1.947 -5.912 297 HG13 ILE 43 2HG1 ILE 43 -7.201 -2.747 -5.616 298 HG21 ILE 43 1HG2 ILE 43 -6.523 -0.011 -3.856 299 HG22 ILE 43 2HG2 ILE 43 -5.312 -1.004 -4.665 300 HG23 ILE 43 3HG2 ILE 43 -5.520 0.684 -5.129 301 HD11 ILE 43 1HD1 ILE 43 -8.798 -2.706 -3.688 302 HD12 ILE 43 2HD1 ILE 43 -7.189 -2.067 -3.351 303 HD13 ILE 43 3HD1 ILE 43 -8.540 -0.963 -3.606 304 H ASP 44 H ASP 44 -8.098 2.708 -4.803 305 HA ASP 44 HA ASP 44 -6.371 4.112 -6.721 306 HB2 ASP 44 1HB ASP 44 -8.536 4.985 -4.861 307 HB3 ASP 44 2HB ASP 44 -7.252 6.129 -5.242 308 H ALA 45 H ALA 45 -4.338 4.526 -6.184 309 HA ALA 45 HA ALA 45 -3.592 4.423 -3.335 310 HB1 ALA 45 1HB ALA 45 -2.052 3.669 -5.805 311 HB2 ALA 45 2HB ALA 45 -1.280 3.907 -4.237 312 HB3 ALA 45 3HB ALA 45 -2.500 2.649 -4.438 313 H ARG 46 H ARG 46 -2.613 6.137 -2.425 314 HA ARG 46 HA ARG 46 -1.335 8.167 -4.051 315 HB2 ARG 46 1HB ARG 46 -3.910 8.619 -2.583 316 HB3 ARG 46 2HB ARG 46 -2.758 9.936 -2.766 317 HG2 ARG 46 1HG ARG 46 -2.845 9.237 -5.294 318 HG3 ARG 46 2HG ARG 46 -4.401 8.552 -4.821 319 HD2 ARG 46 1HD ARG 46 -3.722 11.346 -4.022 320 HD3 ARG 46 2HD ARG 46 -4.234 11.021 -5.678 321 HE ARG 46 HE ARG 46 -6.069 9.804 -3.974 322 HH11 ARG 46 1HH1 ARG 46 -4.976 13.009 -4.784 323 HH12 ARG 46 2HH1 ARG 46 -6.495 13.760 -4.424 324 HH21 ARG 46 1HH2 ARG 46 -8.075 10.781 -3.496 325 HH22 ARG 46 2HH2 ARG 46 -8.257 12.492 -3.690 326 H VAL 47 H VAL 47 0.472 8.719 -3.042 327 HA VAL 47 HA VAL 47 0.726 8.207 -0.177 328 HB VAL 47 HB VAL 47 3.176 8.778 -0.638 329 HG11 VAL 47 1HG1 VAL 47 3.269 6.499 -2.098 330 HG12 VAL 47 2HG1 VAL 47 3.032 6.550 -0.350 331 HG13 VAL 47 3HG1 VAL 47 1.642 6.397 -1.425 332 HG21 VAL 47 1HG2 VAL 47 2.335 9.773 -2.959 333 HG22 VAL 47 2HG2 VAL 47 3.951 9.096 -2.753 334 HG23 VAL 47 3HG2 VAL 47 2.674 8.124 -3.486 335 H HIS 48 H HIS 48 1.438 9.760 1.301 336 HA HIS 48 HA HIS 48 1.128 12.548 0.396 337 HB2 HIS 48 1HB HIS 48 0.347 11.210 2.979 338 HB3 HIS 48 2HB HIS 48 0.528 12.958 2.862 339 HD1 HIS 48 1HD HIS 48 -1.352 14.256 1.773 340 HD2 HIS 48 2HD HIS 48 -1.817 10.141 1.448 341 HE1 HIS 48 1HE HIS 48 -3.682 13.911 0.893 342 HE2 HIS 48 2HE HIS 48 -3.971 11.411 0.785 343 H THR 49 H THR 49 2.943 13.679 0.420 344 HA THR 49 HA THR 49 5.316 12.728 1.693 345 HB THR 49 HB THR 49 6.331 14.858 0.914 346 HG1 THR 49 1HG THR 49 5.104 16.404 0.002 347 HG21 THR 49 1HG2 THR 49 6.682 13.707 -0.959 348 HG22 THR 49 2HG2 THR 49 5.134 14.275 -1.583 349 HG23 THR 49 3HG2 THR 49 5.219 12.764 -0.678 350 HA PRO 50 HA PRO 50 5.006 14.642 5.638 351 HB2 PRO 50 1HB PRO 50 7.636 15.017 6.196 352 HB3 PRO 50 2HB PRO 50 6.866 13.427 6.222 353 HG2 PRO 50 1HG PRO 50 8.528 14.692 4.078 354 HG3 PRO 50 2HG PRO 50 8.568 13.028 4.689 355 HD2 PRO 50 1HD PRO 50 7.316 13.703 2.385 356 HD3 PRO 50 2HD PRO 50 6.745 12.388 3.433 357 H SER 51 H SER 51 6.124 16.264 2.904 358 HA SER 51 HA SER 51 6.807 18.738 4.248 359 HB2 SER 51 1HB SER 51 7.948 17.968 2.143 360 HB3 SER 51 2HB SER 51 6.437 18.264 1.283 361 HG SER 51 HG SER 51 6.593 20.460 2.014 362 H GLY 52 H GLY 52 4.333 17.736 1.876 363 HA2 GLY 52 1HA GLY 52 2.031 18.507 2.884 364 HA3 GLY 52 2HA GLY 52 2.743 20.087 2.592 365 H ALA 53 H ALA 53 3.203 17.275 0.536 366 HA ALA 53 HA ALA 53 1.516 18.553 -1.513 367 HB1 ALA 53 1HB ALA 53 4.204 17.262 -1.964 368 HB2 ALA 53 2HB ALA 53 3.140 17.891 -3.222 369 HB3 ALA 53 3HB ALA 53 3.852 18.988 -2.039 370 H VAL 54 H VAL 54 0.051 17.255 -2.419 371 HA VAL 54 HA VAL 54 -0.109 14.499 -1.588 372 HB VAL 54 HB VAL 54 -1.878 16.171 -3.371 373 HG11 VAL 54 1HG1 VAL 54 -2.007 13.269 -2.651 374 HG12 VAL 54 2HG1 VAL 54 -3.484 14.183 -2.965 375 HG13 VAL 54 3HG1 VAL 54 -2.249 14.043 -4.217 376 HG21 VAL 54 1HG2 VAL 54 -1.753 15.596 -0.506 377 HG22 VAL 54 2HG2 VAL 54 -2.536 16.923 -1.363 378 HG23 VAL 54 3HG2 VAL 54 -3.351 15.366 -1.216 379 H GLU 55 H GLU 55 1.265 13.126 -2.552 380 HA GLU 55 HA GLU 55 1.923 13.400 -5.363 381 HB2 GLU 55 1HB GLU 55 2.930 11.782 -3.079 382 HB3 GLU 55 2HB GLU 55 3.152 11.123 -4.694 383 HG2 GLU 55 1HG GLU 55 4.976 12.637 -3.584 384 HG3 GLU 55 2HG GLU 55 4.632 12.740 -5.309 385 H GLU 56 H GLU 56 1.888 11.392 -6.743 386 HA GLU 56 HA GLU 56 -0.605 9.892 -6.270 387 HB2 GLU 56 1HB GLU 56 -0.578 9.714 -8.861 388 HB3 GLU 56 2HB GLU 56 -1.131 11.205 -8.111 389 HG2 GLU 56 1HG GLU 56 1.242 12.055 -8.408 390 HG3 GLU 56 2HG GLU 56 1.494 10.660 -9.456 391 H CYS 57 H CYS 57 -0.692 7.746 -7.258 392 HA CYS 57 HA CYS 57 1.974 6.495 -7.364 393 HB2 CYS 57 1HB CYS 57 -0.635 5.315 -6.387 394 HB3 CYS 57 2HB CYS 57 0.885 4.437 -6.513 395 HG CYS 57 HG CYS 57 0.318 7.108 -4.448 396 H TYR 58 H TYR 58 1.603 4.130 -8.397 397 HA TYR 58 HA TYR 58 0.208 4.582 -10.954 398 HB2 TYR 58 1HB TYR 58 2.794 4.531 -10.932 399 HB3 TYR 58 2HB TYR 58 2.614 2.799 -10.675 400 HD1 TYR 58 2HD TYR 58 1.875 5.562 -13.022 401 HD2 TYR 58 1HD TYR 58 2.062 1.348 -12.466 402 HE1 TYR 58 2HE TYR 58 1.616 5.236 -15.446 403 HE2 TYR 58 1HE TYR 58 1.804 1.010 -14.888 404 HH TYR 58 HH TYR 58 2.108 3.544 -17.139 405 H VAL 59 H VAL 59 -1.540 3.346 -11.053 406 HA VAL 59 HA VAL 59 -1.322 0.538 -10.202 407 HB VAL 59 HB VAL 59 -2.584 1.416 -8.441 408 HG11 VAL 59 1HG1 VAL 59 -4.193 3.114 -8.561 409 HG12 VAL 59 2HG1 VAL 59 -2.922 3.634 -9.669 410 HG13 VAL 59 3HG1 VAL 59 -4.404 2.914 -10.300 411 HG21 VAL 59 1HG2 VAL 59 -4.307 -0.002 -8.568 412 HG22 VAL 59 2HG2 VAL 59 -5.018 0.850 -9.939 413 HG23 VAL 59 3HG2 VAL 59 -3.749 -0.345 -10.205 414 H SER 60 H SER 60 -1.245 -0.379 -12.191 415 HA SER 60 HA SER 60 -2.648 0.487 -14.462 416 HB2 SER 60 1HB SER 60 -0.651 -1.155 -14.274 417 HB3 SER 60 2HB SER 60 -1.885 -2.392 -14.031 418 HG SER 60 HG SER 60 -1.149 -1.949 -16.272 419 H GLU 61 H GLU 61 -4.227 -1.042 -15.642 420 HA GLU 61 HA GLU 61 -6.648 -1.068 -14.249 421 HB2 GLU 61 1HB GLU 61 -5.749 -2.416 -16.786 422 HB3 GLU 61 2HB GLU 61 -7.383 -2.617 -16.167 423 HG2 GLU 61 1HG GLU 61 -7.825 -0.282 -16.373 424 HG3 GLU 61 2HG GLU 61 -6.140 0.055 -16.762 425 H LEU 62 H LEU 62 -8.035 -3.000 -13.870 426 HA LEU 62 HA LEU 62 -6.852 -4.732 -12.016 427 HB2 LEU 62 1HB LEU 62 -9.165 -4.308 -11.828 428 HB3 LEU 62 2HB LEU 62 -9.469 -4.814 -13.489 429 HG LEU 62 HG LEU 62 -8.774 -7.151 -12.719 430 HD11 LEU 62 1HD1 LEU 62 -7.829 -7.086 -10.668 431 HD12 LEU 62 2HD1 LEU 62 -9.505 -7.241 -10.144 432 HD13 LEU 62 3HD1 LEU 62 -8.734 -5.655 -10.173 433 HD21 LEU 62 1HD2 LEU 62 -10.959 -7.557 -12.735 434 HD22 LEU 62 2HD2 LEU 62 -11.214 -5.812 -12.754 435 HD23 LEU 62 3HD2 LEU 62 -11.197 -6.685 -11.220 436 H ASP 63 H ASP 63 -5.783 -6.590 -12.213 437 HA ASP 63 HA ASP 63 -6.096 -8.179 -14.655 438 HB2 ASP 63 1HB ASP 63 -4.009 -6.562 -14.584 439 HB3 ASP 63 2HB ASP 63 -3.339 -7.825 -13.554 440 H SER 64 H SER 64 -6.211 -10.310 -14.284 441 HA SER 64 HA SER 64 -6.439 -12.252 -13.111 442 HB2 SER 64 1HB SER 64 -3.795 -11.181 -12.162 443 HB3 SER 64 2HB SER 64 -4.428 -12.699 -11.527 444 HG SER 64 HG SER 64 -3.526 -13.500 -13.254 445 H ASP 65 H ASP 65 -7.948 -10.141 -12.079 446 HA ASP 65 HA ASP 65 -9.110 -9.464 -10.240 447 HB2 ASP 65 1HB ASP 65 -9.465 -12.015 -10.305 448 HB3 ASP 65 2HB ASP 65 -8.329 -12.075 -8.961 449 H LYS 66 H LYS 66 -6.543 -8.467 -10.298 450 HA LYS 66 HA LYS 66 -6.117 -7.916 -7.505 451 HB2 LYS 66 1HB LYS 66 -4.078 -9.441 -9.116 452 HB3 LYS 66 2HB LYS 66 -3.626 -8.483 -7.712 453 HG2 LYS 66 1HG LYS 66 -5.328 -9.845 -6.416 454 HG3 LYS 66 2HG LYS 66 -5.374 -10.920 -7.815 455 HD2 LYS 66 1HD LYS 66 -2.918 -10.212 -6.209 456 HD3 LYS 66 2HD LYS 66 -3.813 -11.731 -6.113 457 HE2 LYS 66 1HE LYS 66 -3.359 -11.940 -8.623 458 HE3 LYS 66 2HE LYS 66 -2.171 -10.659 -8.389 459 HZ1 LYS 66 1HZ LYS 66 -2.107 -13.052 -6.676 460 HZ2 LYS 66 2HZ LYS 66 -0.848 -12.003 -7.092 461 HZ3 LYS 66 3HZ LYS 66 -1.435 -13.110 -8.228 462 H HIS 67 H HIS 67 -4.368 -6.268 -7.204 463 HA HIS 67 HA HIS 67 -3.931 -4.657 -9.624 464 HB2 HIS 67 1HB HIS 67 -5.082 -3.763 -6.991 465 HB3 HIS 67 2HB HIS 67 -4.268 -2.627 -8.063 466 HD1 HIS 67 1HD HIS 67 -5.344 -2.622 -10.611 467 HD2 HIS 67 2HD HIS 67 -7.725 -4.015 -7.505 468 HE1 HIS 67 1HE HIS 67 -7.705 -2.510 -11.471 469 HE2 HIS 67 2HE HIS 67 -9.134 -3.277 -9.545 470 H THR 68 H THR 68 -2.024 -3.485 -9.692 471 HA THR 68 HA THR 68 -0.103 -4.086 -7.537 472 HB THR 68 HB THR 68 0.583 -3.589 -10.437 473 HG1 THR 68 1HG THR 68 -0.620 -5.660 -9.665 474 HG21 THR 68 1HG2 THR 68 2.651 -3.374 -9.626 475 HG22 THR 68 2HG2 THR 68 2.573 -5.074 -9.160 476 HG23 THR 68 3HG2 THR 68 2.123 -3.820 -8.004 477 H ILE 69 H ILE 69 0.916 -2.429 -6.582 478 HA ILE 69 HA ILE 69 0.455 0.264 -7.680 479 HB ILE 69 HB ILE 69 1.304 -0.171 -4.849 480 HG12 ILE 69 1HG1 ILE 69 -0.582 -1.730 -5.225 481 HG13 ILE 69 2HG1 ILE 69 -1.010 -0.417 -4.133 482 HG21 ILE 69 1HG2 ILE 69 0.032 1.942 -6.476 483 HG22 ILE 69 2HG2 ILE 69 -0.500 1.804 -4.801 484 HG23 ILE 69 3HG2 ILE 69 1.205 2.068 -5.166 485 HD11 ILE 69 1HD1 ILE 69 -2.021 0.739 -6.136 486 HD12 ILE 69 2HD1 ILE 69 -1.822 -0.789 -6.995 487 HD13 ILE 69 3HD1 ILE 69 -2.848 -0.710 -5.563 488 H ARG 70 H ARG 70 2.138 1.712 -7.862 489 HA ARG 70 HA ARG 70 4.818 0.843 -7.089 490 HB2 ARG 70 1HB ARG 70 4.253 0.173 -9.508 491 HB3 ARG 70 2HB ARG 70 4.324 1.893 -9.865 492 HG2 ARG 70 1HG ARG 70 6.613 2.016 -9.324 493 HG3 ARG 70 2HG ARG 70 6.592 0.428 -8.554 494 HD2 ARG 70 1HD ARG 70 7.632 0.146 -10.665 495 HD3 ARG 70 2HD ARG 70 6.011 -0.535 -10.804 496 HE ARG 70 HE ARG 70 5.488 1.093 -12.335 497 HH11 ARG 70 1HH1 ARG 70 8.459 1.927 -10.723 498 HH12 ARG 70 2HH1 ARG 70 8.820 3.245 -11.788 499 HH21 ARG 70 1HH2 ARG 70 5.952 2.826 -13.744 500 HH22 ARG 70 2HH2 ARG 70 7.393 3.756 -13.505 501 H PHE 71 H PHE 71 5.804 2.450 -6.072 502 HA PHE 71 HA PHE 71 5.699 5.152 -7.044 503 HB2 PHE 71 1HB PHE 71 4.846 6.090 -4.879 504 HB3 PHE 71 2HB PHE 71 3.638 5.211 -5.810 505 HD1 PHE 71 1HD PHE 71 6.139 4.635 -3.106 506 HD2 PHE 71 2HD PHE 71 2.319 3.679 -4.720 507 HE1 PHE 71 1HE PHE 71 5.670 3.220 -1.148 508 HE2 PHE 71 2HE PHE 71 1.843 2.263 -2.766 509 HZ PHE 71 HZ PHE 71 3.519 2.032 -0.976 510 H ILE 72 H ILE 72 7.343 6.442 -6.219 511 HA ILE 72 HA ILE 72 9.263 5.040 -4.477 512 HB ILE 72 HB ILE 72 9.709 6.901 -6.792 513 HG12 ILE 72 1HG1 ILE 72 11.153 4.343 -6.136 514 HG13 ILE 72 2HG1 ILE 72 9.592 4.325 -6.951 515 HG21 ILE 72 1HG2 ILE 72 11.345 7.897 -5.650 516 HG22 ILE 72 2HG2 ILE 72 11.263 6.717 -4.343 517 HG23 ILE 72 3HG2 ILE 72 12.216 6.370 -5.786 518 HD11 ILE 72 1HD1 ILE 72 11.594 4.185 -8.443 519 HD12 ILE 72 2HD1 ILE 72 10.465 5.486 -8.821 520 HD13 ILE 72 3HD1 ILE 72 11.972 5.843 -7.978 521 HA PRO 73 HA PRO 73 8.560 8.312 -1.577 522 HB2 PRO 73 1HB PRO 73 10.621 7.726 0.091 523 HB3 PRO 73 2HB PRO 73 9.128 6.781 0.039 524 HG2 PRO 73 1HG PRO 73 11.774 6.215 -1.241 525 HG3 PRO 73 2HG PRO 73 10.683 5.106 -0.389 526 HD2 PRO 73 1HD PRO 73 10.808 5.237 -3.091 527 HD3 PRO 73 2HD PRO 73 9.309 4.849 -2.222 528 H HIS 74 H HIS 74 9.033 10.211 -2.631 529 HA HIS 74 HA HIS 74 11.537 10.978 -3.623 530 HB2 HIS 74 1HB HIS 74 9.027 12.422 -2.897 531 HB3 HIS 74 2HB HIS 74 10.481 13.371 -3.192 532 HD1 HIS 74 1HD HIS 74 8.499 10.651 -4.974 533 HD2 HIS 74 2HD HIS 74 10.806 14.007 -5.797 534 HE1 HIS 74 1HE HIS 74 8.389 10.947 -7.469 535 HE2 HIS 74 2HE HIS 74 9.861 12.932 -7.952 536 H GLU 75 H GLU 75 10.223 11.046 -0.411 537 HA GLU 75 HA GLU 75 12.775 12.116 0.565 538 HB2 GLU 75 1HB GLU 75 10.248 12.888 1.966 539 HB3 GLU 75 2HB GLU 75 11.810 13.694 1.961 540 HG2 GLU 75 1HG GLU 75 11.359 14.235 -0.475 541 HG3 GLU 75 2HG GLU 75 9.702 13.714 -0.172 542 H ASN 76 H ASN 76 12.786 11.858 3.094 543 HA ASN 76 HA ASN 76 12.257 9.040 3.584 544 HB2 ASN 76 1HB ASN 76 13.895 11.145 4.971 545 HB3 ASN 76 2HB ASN 76 13.513 9.628 5.781 546 HD21 ASN 76 1HD2 ASN 76 13.716 7.775 3.876 547 HD22 ASN 76 2HD2 ASN 76 15.315 7.726 3.224 548 H GLY 77 H GLY 77 11.705 8.627 6.064 549 HA2 GLY 77 1HA GLY 77 10.339 9.251 7.922 550 HA3 GLY 77 2HA GLY 77 9.544 10.436 6.897 551 H VAL 78 H VAL 78 7.788 9.119 8.206 552 HA VAL 78 HA VAL 78 7.020 6.679 6.806 553 HB VAL 78 HB VAL 78 5.696 8.060 9.145 554 HG11 VAL 78 1HG1 VAL 78 3.968 6.731 8.703 555 HG12 VAL 78 2HG1 VAL 78 4.858 5.893 7.430 556 HG13 VAL 78 3HG1 VAL 78 5.005 5.363 9.106 557 HG21 VAL 78 1HG2 VAL 78 7.639 7.311 10.092 558 HG22 VAL 78 2HG2 VAL 78 6.653 5.857 10.240 559 HG23 VAL 78 3HG2 VAL 78 7.829 5.995 8.933 560 H HIS 79 H HIS 79 6.027 6.997 4.917 561 HA HIS 79 HA HIS 79 4.379 9.314 4.433 562 HB2 HIS 79 1HB HIS 79 5.097 6.911 2.752 563 HB3 HIS 79 2HB HIS 79 4.005 8.176 2.194 564 HD1 HIS 79 1HD HIS 79 7.229 8.727 4.099 565 HD2 HIS 79 2HD HIS 79 5.613 9.357 0.323 566 HE1 HIS 79 1HE HIS 79 8.926 10.112 2.863 567 HE2 HIS 79 2HE HIS 79 7.889 10.552 0.611 568 H SER 80 H SER 80 2.172 9.069 3.507 569 HA SER 80 HA SER 80 0.695 6.971 4.955 570 HB2 SER 80 1HB SER 80 0.123 9.858 4.450 571 HB3 SER 80 2HB SER 80 -1.240 8.743 4.549 572 HG SER 80 HG SER 80 -0.937 8.574 6.624 573 H ILE 81 H ILE 81 0.094 5.407 3.613 574 HA ILE 81 HA ILE 81 -0.398 5.956 0.807 575 HB ILE 81 HB ILE 81 -0.796 3.288 2.127 576 HG12 ILE 81 1HG1 ILE 81 1.392 4.103 2.863 577 HG13 ILE 81 2HG1 ILE 81 1.578 2.795 1.700 578 HG21 ILE 81 1HG2 ILE 81 -1.183 2.664 0.034 579 HG22 ILE 81 2HG2 ILE 81 -0.842 4.294 -0.544 580 HG23 ILE 81 3HG2 ILE 81 0.467 3.123 -0.387 581 HD11 ILE 81 1HD1 ILE 81 2.448 5.566 1.559 582 HD12 ILE 81 2HD1 ILE 81 3.028 4.144 0.690 583 HD13 ILE 81 3HD1 ILE 81 1.613 5.018 0.106 584 H ASP 82 H ASP 82 -2.322 6.700 0.218 585 HA ASP 82 HA ASP 82 -4.690 6.112 1.790 586 HB2 ASP 82 1HB ASP 82 -4.629 8.355 1.102 587 HB3 ASP 82 2HB ASP 82 -4.105 7.936 -0.527 588 H VAL 83 H VAL 83 -5.380 4.064 1.467 589 HA VAL 83 HA VAL 83 -5.764 3.167 -1.311 590 HB VAL 83 HB VAL 83 -5.702 1.445 1.168 591 HG11 VAL 83 1HG1 VAL 83 -5.282 0.504 -1.640 592 HG12 VAL 83 2HG1 VAL 83 -5.819 -0.402 -0.224 593 HG13 VAL 83 3HG1 VAL 83 -6.914 0.733 -1.014 594 HG21 VAL 83 1HG2 VAL 83 -3.546 2.564 -0.457 595 HG22 VAL 83 2HG2 VAL 83 -3.496 1.843 1.152 596 HG23 VAL 83 3HG2 VAL 83 -3.467 0.811 -0.278 597 H LYS 84 H LYS 84 -7.776 3.456 -1.998 598 HA LYS 84 HA LYS 84 -9.987 2.969 -0.110 599 HB2 LYS 84 1HB LYS 84 -9.622 5.042 -2.237 600 HB3 LYS 84 2HB LYS 84 -11.245 4.490 -1.847 601 HG2 LYS 84 1HG LYS 84 -10.888 5.129 0.494 602 HG3 LYS 84 2HG LYS 84 -9.277 5.715 0.075 603 HD2 LYS 84 1HD LYS 84 -11.590 6.754 -1.477 604 HD3 LYS 84 2HD LYS 84 -11.374 7.333 0.176 605 HE2 LYS 84 1HE LYS 84 -9.132 8.078 -0.343 606 HE3 LYS 84 2HE LYS 84 -9.251 7.402 -1.966 607 HZ1 LYS 84 1HZ LYS 84 -10.494 9.816 -0.863 608 HZ2 LYS 84 2HZ LYS 84 -11.317 8.976 -2.078 609 HZ3 LYS 84 3HZ LYS 84 -9.761 9.574 -2.368 610 H PHE 85 H PHE 85 -11.948 2.086 -1.029 611 HA PHE 85 HA PHE 85 -11.608 0.719 -3.600 612 HB2 PHE 85 1HB PHE 85 -11.016 -0.797 -1.643 613 HB3 PHE 85 2HB PHE 85 -12.711 -0.700 -1.176 614 HD1 PHE 85 1HD PHE 85 -10.883 -1.199 -4.395 615 HD2 PHE 85 2HD PHE 85 -13.875 -2.594 -1.709 616 HE1 PHE 85 1HE PHE 85 -11.407 -3.041 -5.940 617 HE2 PHE 85 2HE PHE 85 -14.404 -4.438 -3.249 618 HZ PHE 85 HZ PHE 85 -13.169 -4.664 -5.368 619 H ASN 86 H ASN 86 -13.255 1.260 -4.854 620 HA ASN 86 HA ASN 86 -15.268 2.213 -5.452 621 HB2 ASN 86 1HB ASN 86 -15.867 -0.302 -3.931 622 HB3 ASN 86 2HB ASN 86 -17.190 0.672 -4.565 623 HD21 ASN 86 1HD2 ASN 86 -17.353 -1.577 -5.630 624 HD22 ASN 86 2HD2 ASN 86 -16.624 -1.706 -7.190 625 H GLY 87 H GLY 87 -14.343 3.809 -3.518 626 HA2 GLY 87 1HA GLY 87 -15.052 5.429 -2.050 627 HA3 GLY 87 2HA GLY 87 -16.696 4.921 -2.406 628 H ALA 88 H ALA 88 -13.920 3.344 -0.820 629 HA ALA 88 HA ALA 88 -15.218 3.357 1.740 630 HB1 ALA 88 1HB ALA 88 -14.862 0.634 1.520 631 HB2 ALA 88 2HB ALA 88 -16.405 1.489 1.462 632 HB3 ALA 88 3HB ALA 88 -15.566 1.080 -0.035 633 H HIS 89 H HIS 89 -13.564 3.792 3.032 634 HA HIS 89 HA HIS 89 -10.861 3.238 2.365 635 HB2 HIS 89 1HB HIS 89 -12.295 4.407 4.695 636 HB3 HIS 89 2HB HIS 89 -10.661 3.810 4.970 637 HD1 HIS 89 1HD HIS 89 -8.771 5.284 4.240 638 HD2 HIS 89 2HD HIS 89 -12.432 6.511 2.706 639 HE1 HIS 89 1HE HIS 89 -8.331 7.505 3.145 640 HE2 HIS 89 2HE HIS 89 -10.577 8.268 2.299 641 H ILE 90 H ILE 90 -9.692 1.464 2.682 642 HA ILE 90 HA ILE 90 -10.841 -0.880 3.812 643 HB ILE 90 HB ILE 90 -8.744 -1.968 3.348 644 HG12 ILE 90 1HG1 ILE 90 -7.472 0.588 2.458 645 HG13 ILE 90 2HG1 ILE 90 -7.465 0.188 4.172 646 HG21 ILE 90 1HG2 ILE 90 -9.931 -1.822 1.377 647 HG22 ILE 90 2HG2 ILE 90 -9.787 -0.067 1.297 648 HG23 ILE 90 3HG2 ILE 90 -8.396 -1.083 0.924 649 HD11 ILE 90 1HD1 ILE 90 -5.671 -0.663 2.215 650 HD12 ILE 90 2HD1 ILE 90 -5.777 -1.209 3.889 651 HD13 ILE 90 3HD1 ILE 90 -6.641 -2.079 2.622 652 HA PRO 91 HA PRO 91 -9.695 -0.553 8.041 653 HB2 PRO 91 1HB PRO 91 -9.347 -3.173 8.663 654 HB3 PRO 91 2HB PRO 91 -10.938 -2.454 8.388 655 HG2 PRO 91 1HG PRO 91 -9.240 -4.064 6.522 656 HG3 PRO 91 2HG PRO 91 -10.987 -4.161 6.810 657 HD2 PRO 91 1HD PRO 91 -9.931 -2.877 4.672 658 HD3 PRO 91 2HD PRO 91 -11.437 -2.353 5.453 659 H GLY 92 H GLY 92 -7.728 0.436 8.241 660 HA2 GLY 92 1HA GLY 92 -5.554 -0.286 9.321 661 HA3 GLY 92 2HA GLY 92 -5.335 -1.254 7.871 662 H SER 93 H SER 93 -6.662 1.037 6.342 663 HA SER 93 HA SER 93 -4.182 2.423 5.776 664 HB2 SER 93 1HB SER 93 -5.181 2.007 3.759 665 HB3 SER 93 2HB SER 93 -6.811 2.099 4.426 666 HG SER 93 HG SER 93 -6.816 4.235 4.180 667 HA PRO 94 HA PRO 94 -3.834 4.369 4.468 668 HB2 PRO 94 1HB PRO 94 -1.974 6.180 5.263 669 HB3 PRO 94 2HB PRO 94 -3.470 6.638 4.439 670 HG2 PRO 94 1HG PRO 94 -2.820 6.703 7.360 671 HG3 PRO 94 2HG PRO 94 -3.669 7.909 6.376 672 HD2 PRO 94 1HD PRO 94 -4.972 6.156 7.976 673 HD3 PRO 94 2HD PRO 94 -5.662 6.754 6.453 674 H PHE 95 H PHE 95 -2.069 3.085 4.237 675 HA PHE 95 HA PHE 95 -1.097 1.698 6.554 676 HB2 PHE 95 1HB PHE 95 -0.526 1.503 3.605 677 HB3 PHE 95 2HB PHE 95 0.406 0.583 4.782 678 HD1 PHE 95 1HD PHE 95 -1.309 -0.525 6.643 679 HD2 PHE 95 2HD PHE 95 -2.131 0.274 2.544 680 HE1 PHE 95 1HE PHE 95 -3.043 -2.271 6.654 681 HE2 PHE 95 2HE PHE 95 -3.866 -1.470 2.548 682 HZ PHE 95 HZ PHE 95 -4.325 -2.744 4.605 683 H LYS 96 H LYS 96 0.408 2.519 7.838 684 HA LYS 96 HA LYS 96 2.193 4.593 6.982 685 HB2 LYS 96 1HB LYS 96 2.238 3.008 9.555 686 HB3 LYS 96 2HB LYS 96 3.037 4.546 9.257 687 HG2 LYS 96 1HG LYS 96 0.084 4.366 8.918 688 HG3 LYS 96 2HG LYS 96 0.765 4.438 10.546 689 HD2 LYS 96 1HD LYS 96 2.113 6.454 9.600 690 HD3 LYS 96 2HD LYS 96 0.862 6.474 8.355 691 HE2 LYS 96 1HE LYS 96 -0.829 6.521 10.226 692 HE3 LYS 96 2HE LYS 96 0.518 6.795 11.329 693 HZ1 LYS 96 1HZ LYS 96 -0.845 8.754 10.168 694 HZ2 LYS 96 2HZ LYS 96 0.386 8.557 9.025 695 HZ3 LYS 96 3HZ LYS 96 0.774 8.905 10.634 696 H ILE 97 H ILE 97 3.985 4.251 5.861 697 HA ILE 97 HA ILE 97 5.454 1.732 6.290 698 HB ILE 97 HB ILE 97 6.377 2.106 3.977 699 HG12 ILE 97 1HG1 ILE 97 4.116 4.114 3.850 700 HG13 ILE 97 2HG1 ILE 97 5.834 4.488 3.775 701 HG21 ILE 97 1HG2 ILE 97 3.403 1.682 4.239 702 HG22 ILE 97 2HG2 ILE 97 4.384 1.220 2.849 703 HG23 ILE 97 3HG2 ILE 97 4.653 0.451 4.412 704 HD11 ILE 97 1HD1 ILE 97 4.244 2.931 1.753 705 HD12 ILE 97 2HD1 ILE 97 4.889 4.562 1.571 706 HD13 ILE 97 3HD1 ILE 97 5.987 3.188 1.688 707 H ARG 98 H ARG 98 7.403 1.926 7.161 708 HA ARG 98 HA ARG 98 8.571 4.523 7.577 709 HB2 ARG 98 1HB ARG 98 8.592 2.516 9.193 710 HB3 ARG 98 2HB ARG 98 9.902 1.897 8.196 711 HG2 ARG 98 1HG ARG 98 11.184 3.947 8.641 712 HG3 ARG 98 2HG ARG 98 9.881 4.511 9.689 713 HD2 ARG 98 1HD ARG 98 10.229 2.713 11.215 714 HD3 ARG 98 2HD ARG 98 11.337 1.909 10.104 715 HE ARG 98 HE ARG 98 13.018 3.262 10.862 716 HH11 ARG 98 1HH1 ARG 98 9.954 4.615 11.812 717 HH12 ARG 98 2HH1 ARG 98 10.659 5.842 12.812 718 HH21 ARG 98 1HH2 ARG 98 13.957 4.873 12.175 719 HH22 ARG 98 2HH2 ARG 98 12.936 5.988 13.017 720 H VAL 99 H VAL 99 9.764 5.513 6.100 721 HA VAL 99 HA VAL 99 11.266 3.894 4.159 722 HB VAL 99 HB VAL 99 10.441 6.797 4.012 723 HG11 VAL 99 1HG1 VAL 99 11.161 6.107 1.494 724 HG12 VAL 99 2HG1 VAL 99 12.223 6.924 2.643 725 HG13 VAL 99 3HG1 VAL 99 12.322 5.175 2.439 726 HG21 VAL 99 1HG2 VAL 99 9.389 4.300 2.707 727 HG22 VAL 99 2HG2 VAL 99 8.512 5.472 3.690 728 HG23 VAL 99 3HG2 VAL 99 9.063 5.914 2.074 729 H GLY 100 H GLY 100 13.297 3.562 4.817 730 HA2 GLY 100 1HA GLY 100 15.509 4.607 4.849 731 HA3 GLY 100 2HA GLY 100 14.805 5.902 5.807 732 H GLU 101 H GLU 101 16.088 2.679 5.833 733 HA GLU 101 HA GLU 101 15.550 2.315 8.665 734 HB2 GLU 101 1HB GLU 101 16.505 0.124 8.404 735 HB3 GLU 101 2HB GLU 101 15.414 0.416 7.057 736 HG2 GLU 101 1HG GLU 101 17.193 0.741 5.551 737 HG3 GLU 101 2HG GLU 101 18.372 0.873 6.855 738 H GLN 102 H GLN 102 17.087 2.281 10.282 739 HA GLN 102 HA GLN 102 19.552 3.721 9.663 740 HB2 GLN 102 1HB GLN 102 18.158 3.103 12.268 741 HB3 GLN 102 2HB GLN 102 19.727 3.892 12.175 742 HG2 GLN 102 1HG GLN 102 18.563 5.612 10.682 743 HG3 GLN 102 2HG GLN 102 17.059 4.916 11.284 744 HE21 GLN 102 1HE2 GLN 102 17.448 7.496 11.771 745 HE22 GLN 102 2HE2 GLN 102 17.847 7.774 13.428 746 H SER 103 H SER 103 21.336 2.600 9.296 747 HA SER 103 HA SER 103 21.666 -0.125 9.592 748 HB2 SER 103 1HB SER 103 23.130 1.651 8.354 749 HB3 SER 103 2HB SER 103 24.026 1.710 9.872 750 HG SER 103 HG SER 103 24.954 -0.068 9.288 751 H GLN 104 H GLN 104 21.368 -1.191 11.446 752 HA GLN 104 HA GLN 104 22.626 -0.139 13.887 753 HB2 GLN 104 1HB GLN 104 20.178 -1.781 13.395 754 HB3 GLN 104 2HB GLN 104 21.030 -1.963 14.922 755 HG2 GLN 104 1HG GLN 104 20.292 0.761 13.960 756 HG3 GLN 104 2HG GLN 104 19.071 -0.270 14.705 757 HE21 GLN 104 1HE2 GLN 104 19.531 1.997 15.955 758 HE22 GLN 104 2HE2 GLN 104 20.469 1.768 17.388 759 H ALA 105 H ALA 105 23.899 -1.466 15.172 760 HA ALA 105 HA ALA 105 25.094 -3.723 13.764 761 HB1 ALA 105 1HB ALA 105 26.702 -2.208 14.586 762 HB2 ALA 105 2HB ALA 105 25.933 -2.132 16.172 763 HB3 ALA 105 3HB ALA 105 26.765 -3.602 15.665 764 H GLY 106 H GLY 106 24.620 -5.770 14.224 765 HA2 GLY 106 1HA GLY 106 24.145 -6.712 16.868 766 HA3 GLY 106 2HA GLY 106 22.638 -6.580 15.974 767 H SER 107 H SER 107 24.299 -8.899 17.016 768 HA SER 107 HA SER 107 25.548 -10.397 15.131 769 HB2 SER 107 1HB SER 107 23.532 -11.354 17.175 770 HB3 SER 107 2HB SER 107 24.619 -12.416 16.282 771 HG SER 107 HG SER 107 25.556 -11.919 18.252 772 H GLY 108 H GLY 108 24.981 -11.838 13.501 773 HA2 GLY 108 1HA GLY 108 22.322 -11.344 12.343 774 HA3 GLY 108 2HA GLY 108 23.737 -11.891 11.455 775 HA PRO 109 HA PRO 109 21.006 -15.556 12.209 776 HB2 PRO 109 1HB PRO 109 21.193 -16.509 9.674 777 HB3 PRO 109 2HB PRO 109 19.992 -15.308 10.162 778 HG2 PRO 109 1HG PRO 109 22.611 -14.910 8.767 779 HG3 PRO 109 2HG PRO 109 21.041 -14.154 8.436 780 HD2 PRO 109 1HD PRO 109 23.002 -12.895 9.815 781 HD3 PRO 109 2HD PRO 109 21.279 -12.621 10.141 782 H SER 110 H SER 110 24.129 -15.142 10.652 783 HA SER 110 HA SER 110 25.088 -17.655 10.346 784 HB2 SER 110 1HB SER 110 26.537 -15.860 9.804 785 HB3 SER 110 2HB SER 110 26.468 -15.206 11.440 786 HG SER 110 HG SER 110 27.844 -17.473 10.490 787 H SER 111 H SER 111 24.845 -19.361 11.627 788 HA SER 111 HA SER 111 24.434 -19.245 14.410 789 HB2 SER 111 1HB SER 111 25.343 -21.596 12.733 790 HB3 SER 111 2HB SER 111 24.667 -21.689 14.359 791 HG SER 111 HG SER 111 23.323 -20.622 12.097 792 H GLY 112 H GLY 112 25.785 -19.335 16.118 793 HA2 GLY 112 1HA GLY 112 28.672 -19.428 15.515 794 HA3 GLY 112 2HA GLY 112 27.959 -18.557 16.864 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -30.688 -9.856 -1.255 2 HA2 GLY 1 1HA GLY 1 -32.582 -9.339 -3.451 3 HA3 GLY 1 2HA GLY 1 -32.704 -8.427 -1.954 4 H SER 2 H SER 2 -32.272 -6.429 -2.815 5 HA SER 2 HA SER 2 -29.591 -6.081 -3.990 6 HB2 SER 2 1HB SER 2 -30.407 -4.279 -5.302 7 HB3 SER 2 2HB SER 2 -31.620 -5.550 -5.451 8 HG SER 2 HG SER 2 -32.782 -3.775 -4.984 9 H SER 3 H SER 3 -29.885 -6.180 -1.235 10 HA SER 3 HA SER 3 -30.379 -3.884 0.170 11 HB2 SER 3 1HB SER 3 -28.783 -4.684 1.839 12 HB3 SER 3 2HB SER 3 -29.716 -6.036 1.198 13 HG SER 3 HG SER 3 -27.025 -5.496 1.000 14 H GLY 4 H GLY 4 -27.330 -4.758 -1.445 15 HA2 GLY 4 1HA GLY 4 -26.756 -1.996 -1.996 16 HA3 GLY 4 2HA GLY 4 -25.717 -2.669 -0.749 17 H SER 5 H SER 5 -26.414 -2.524 -4.114 18 HA SER 5 HA SER 5 -24.920 -4.736 -5.011 19 HB2 SER 5 1HB SER 5 -24.853 -3.509 -7.191 20 HB3 SER 5 2HB SER 5 -26.472 -3.631 -6.503 21 HG SER 5 HG SER 5 -26.221 -1.494 -5.735 22 H SER 6 H SER 6 -24.024 -1.405 -4.289 23 HA SER 6 HA SER 6 -21.275 -1.860 -5.118 24 HB2 SER 6 1HB SER 6 -20.934 0.506 -4.554 25 HB3 SER 6 2HB SER 6 -22.337 0.309 -5.605 26 HG SER 6 HG SER 6 -23.354 1.367 -4.107 27 H GLY 7 H GLY 7 -21.817 -3.624 -3.169 28 HA2 GLY 7 1HA GLY 7 -21.621 -3.061 -0.526 29 HA3 GLY 7 2HA GLY 7 -20.774 -4.413 -1.263 30 H SER 8 H SER 8 -20.401 -1.661 0.544 31 HA SER 8 HA SER 8 -17.687 -1.105 -0.390 32 HB2 SER 8 1HB SER 8 -17.792 0.776 1.269 33 HB3 SER 8 2HB SER 8 -19.029 0.857 0.016 34 HG SER 8 HG SER 8 -19.298 0.132 2.728 35 H ASP 9 H ASP 9 -19.351 -2.836 2.039 36 HA ASP 9 HA ASP 9 -17.330 -2.794 4.049 37 HB2 ASP 9 1HB ASP 9 -19.659 -3.332 4.586 38 HB3 ASP 9 2HB ASP 9 -19.570 -4.773 3.577 39 H ASP 10 H ASP 10 -17.761 -4.530 1.113 40 HA ASP 10 HA ASP 10 -16.352 -6.882 1.630 41 HB2 ASP 10 1HB ASP 10 -16.492 -5.295 -0.943 42 HB3 ASP 10 2HB ASP 10 -15.954 -6.967 -0.808 43 H ALA 11 H ALA 11 -15.239 -3.632 1.143 44 HA ALA 11 HA ALA 11 -12.626 -3.992 0.328 45 HB1 ALA 11 1HB ALA 11 -12.442 -1.799 0.701 46 HB2 ALA 11 2HB ALA 11 -14.137 -1.862 1.188 47 HB3 ALA 11 3HB ALA 11 -12.865 -1.965 2.405 48 H ARG 12 H ARG 12 -14.079 -4.761 3.372 49 HA ARG 12 HA ARG 12 -11.861 -4.742 5.061 50 HB2 ARG 12 1HB ARG 12 -13.136 -6.000 6.555 51 HB3 ARG 12 2HB ARG 12 -14.352 -5.163 5.598 52 HG2 ARG 12 1HG ARG 12 -14.858 -7.113 4.362 53 HG3 ARG 12 2HG ARG 12 -13.439 -7.958 4.983 54 HD2 ARG 12 1HD ARG 12 -15.629 -6.981 6.791 55 HD3 ARG 12 2HD ARG 12 -15.710 -8.552 5.995 56 HE ARG 12 HE ARG 12 -13.271 -8.096 7.455 57 HH11 ARG 12 1HH1 ARG 12 -16.553 -9.245 7.620 58 HH12 ARG 12 2HH1 ARG 12 -16.269 -10.253 9.000 59 HH21 ARG 12 1HH2 ARG 12 -12.885 -9.419 9.273 60 HH22 ARG 12 2HH2 ARG 12 -14.182 -10.350 9.941 61 H ARG 13 H ARG 13 -12.573 -6.766 2.406 62 HA ARG 13 HA ARG 13 -10.945 -8.986 3.288 63 HB2 ARG 13 1HB ARG 13 -12.084 -8.429 0.543 64 HB3 ARG 13 2HB ARG 13 -11.433 -9.959 1.117 65 HG2 ARG 13 1HG ARG 13 -13.263 -10.383 2.467 66 HG3 ARG 13 2HG ARG 13 -13.742 -8.685 2.520 67 HD2 ARG 13 1HD ARG 13 -14.106 -8.965 -0.029 68 HD3 ARG 13 2HD ARG 13 -14.117 -10.691 0.329 69 HE ARG 13 HE ARG 13 -16.179 -8.787 0.925 70 HH11 ARG 13 1HH1 ARG 13 -14.755 -11.828 1.843 71 HH12 ARG 13 2HH1 ARG 13 -16.200 -12.430 2.585 72 HH21 ARG 13 1HH2 ARG 13 -18.088 -9.568 1.899 73 HH22 ARG 13 2HH2 ARG 13 -18.096 -11.144 2.616 74 H LEU 14 H LEU 14 -10.619 -6.165 1.235 75 HA LEU 14 HA LEU 14 -8.347 -6.775 -0.207 76 HB2 LEU 14 1HB LEU 14 -8.983 -4.111 1.050 77 HB3 LEU 14 2HB LEU 14 -7.929 -4.392 -0.334 78 HG LEU 14 HG LEU 14 -10.913 -4.840 -0.275 79 HD11 LEU 14 1HD1 LEU 14 -9.335 -2.485 -0.697 80 HD12 LEU 14 2HD1 LEU 14 -11.088 -2.670 -0.687 81 HD13 LEU 14 3HD1 LEU 14 -10.184 -2.918 -2.181 82 HD21 LEU 14 1HD2 LEU 14 -8.788 -5.567 -2.174 83 HD22 LEU 14 2HD2 LEU 14 -10.197 -4.778 -2.882 84 HD23 LEU 14 3HD2 LEU 14 -10.394 -6.258 -1.943 85 H THR 15 H THR 15 -6.395 -7.404 0.398 86 HA THR 15 HA THR 15 -5.257 -6.313 2.882 87 HB THR 15 HB THR 15 -4.180 -8.506 3.316 88 HG1 THR 15 1HG THR 15 -5.634 -9.173 1.000 89 HG21 THR 15 1HG2 THR 15 -6.464 -9.725 3.793 90 HG22 THR 15 2HG2 THR 15 -7.144 -8.167 3.321 91 HG23 THR 15 3HG2 THR 15 -6.020 -8.265 4.676 92 H VAL 16 H VAL 16 -2.836 -6.706 2.980 93 HA VAL 16 HA VAL 16 -1.565 -6.797 0.349 94 HB VAL 16 HB VAL 16 -1.030 -4.539 2.282 95 HG11 VAL 16 1HG1 VAL 16 0.459 -3.682 0.697 96 HG12 VAL 16 2HG1 VAL 16 0.804 -5.413 0.718 97 HG13 VAL 16 3HG1 VAL 16 -0.164 -4.721 -0.585 98 HG21 VAL 16 1HG2 VAL 16 -2.057 -3.149 0.411 99 HG22 VAL 16 2HG2 VAL 16 -2.731 -4.663 -0.193 100 HG23 VAL 16 3HG2 VAL 16 -3.168 -4.082 1.414 101 H THR 17 H THR 17 0.319 -7.860 0.379 102 HA THR 17 HA THR 17 1.565 -8.379 3.001 103 HB THR 17 HB THR 17 1.598 -10.246 0.624 104 HG1 THR 17 1HG THR 17 -0.236 -11.001 1.347 105 HG21 THR 17 1HG2 THR 17 2.082 -11.616 3.015 106 HG22 THR 17 2HG2 THR 17 3.051 -10.145 3.114 107 HG23 THR 17 3HG2 THR 17 3.248 -11.242 1.747 108 H SER 18 H SER 18 2.400 -8.664 -0.460 109 HA SER 18 HA SER 18 5.065 -8.581 -0.456 110 HB2 SER 18 1HB SER 18 3.181 -7.020 -2.221 111 HB3 SER 18 2HB SER 18 4.920 -7.053 -2.508 112 HG SER 18 HG SER 18 3.669 -8.675 -3.661 113 H LEU 19 H LEU 19 3.033 -5.705 -0.005 114 HA LEU 19 HA LEU 19 4.788 -3.668 0.061 115 HB2 LEU 19 1HB LEU 19 2.526 -3.216 0.541 116 HB3 LEU 19 2HB LEU 19 2.532 -4.278 1.947 117 HG LEU 19 HG LEU 19 4.149 -2.611 2.998 118 HD11 LEU 19 1HD1 LEU 19 3.074 -0.431 1.403 119 HD12 LEU 19 2HD1 LEU 19 4.129 -1.501 0.479 120 HD13 LEU 19 3HD1 LEU 19 4.724 -0.731 1.950 121 HD21 LEU 19 1HD2 LEU 19 1.507 -1.327 2.476 122 HD22 LEU 19 2HD2 LEU 19 2.401 -1.492 3.988 123 HD23 LEU 19 3HD2 LEU 19 1.565 -2.885 3.301 124 H GLN 20 H GLN 20 6.066 -2.617 1.678 125 HA GLN 20 HA GLN 20 7.160 -4.486 3.677 126 HB2 GLN 20 1HB GLN 20 8.714 -3.912 1.815 127 HB3 GLN 20 2HB GLN 20 8.616 -2.224 2.299 128 HG2 GLN 20 1HG GLN 20 10.517 -2.797 3.383 129 HG3 GLN 20 2HG GLN 20 9.349 -3.227 4.631 130 HE21 GLN 20 1HE2 GLN 20 8.538 -5.527 4.469 131 HE22 GLN 20 2HE2 GLN 20 9.721 -6.741 4.135 132 H GLU 21 H GLU 21 5.673 -3.766 5.264 133 HA GLU 21 HA GLU 21 4.997 -1.258 6.039 134 HB2 GLU 21 1HB GLU 21 5.471 -3.779 7.551 135 HB3 GLU 21 2HB GLU 21 5.258 -2.300 8.477 136 HG2 GLU 21 1HG GLU 21 3.318 -3.401 6.457 137 HG3 GLU 21 2HG GLU 21 3.162 -3.514 8.209 138 H THR 22 H THR 22 8.099 -2.803 6.454 139 HA THR 22 HA THR 22 9.323 -0.267 7.076 140 HB THR 22 HB THR 22 10.435 -1.049 9.142 141 HG1 THR 22 1HG THR 22 9.345 -2.913 10.173 142 HG21 THR 22 1HG2 THR 22 8.642 -0.581 10.608 143 HG22 THR 22 2HG2 THR 22 7.451 -1.242 9.489 144 HG23 THR 22 3HG2 THR 22 8.263 0.278 9.116 145 H GLY 23 H GLY 23 11.251 -0.176 6.113 146 HA2 GLY 23 1HA GLY 23 13.469 -1.281 5.912 147 HA3 GLY 23 2HA GLY 23 12.586 -2.735 5.470 148 H LEU 24 H LEU 24 12.072 0.607 4.401 149 HA LEU 24 HA LEU 24 12.710 -0.270 1.661 150 HB2 LEU 24 1HB LEU 24 10.568 1.652 2.556 151 HB3 LEU 24 2HB LEU 24 11.003 1.339 0.877 152 HG LEU 24 HG LEU 24 9.853 -0.697 2.787 153 HD11 LEU 24 1HD1 LEU 24 7.776 -0.342 1.878 154 HD12 LEU 24 2HD1 LEU 24 8.421 0.371 0.400 155 HD13 LEU 24 3HD1 LEU 24 8.416 1.301 1.898 156 HD21 LEU 24 1HD2 LEU 24 11.291 -1.011 0.381 157 HD22 LEU 24 2HD2 LEU 24 9.598 -1.346 0.017 158 HD23 LEU 24 3HD2 LEU 24 10.419 -2.240 1.298 159 H LYS 25 H LYS 25 14.505 0.686 0.990 160 HA LYS 25 HA LYS 25 15.667 2.947 2.198 161 HB2 LYS 25 1HB LYS 25 16.169 1.431 -0.336 162 HB3 LYS 25 2HB LYS 25 17.007 2.951 -0.055 163 HG2 LYS 25 1HG LYS 25 18.162 2.115 1.786 164 HG3 LYS 25 2HG LYS 25 17.047 0.761 1.987 165 HD2 LYS 25 1HD LYS 25 18.679 1.032 -0.510 166 HD3 LYS 25 2HD LYS 25 19.386 0.336 0.950 167 HE2 LYS 25 1HE LYS 25 16.750 -0.668 -0.029 168 HE3 LYS 25 2HE LYS 25 18.227 -1.194 -0.834 169 HZ1 LYS 25 1HZ LYS 25 17.132 -2.215 1.488 170 HZ2 LYS 25 2HZ LYS 25 18.520 -1.379 1.974 171 HZ3 LYS 25 3HZ LYS 25 18.633 -2.601 0.809 172 H VAL 26 H VAL 26 15.898 5.079 1.465 173 HA VAL 26 HA VAL 26 13.577 6.225 0.318 174 HB VAL 26 HB VAL 26 15.088 7.391 1.931 175 HG11 VAL 26 1HG1 VAL 26 16.869 8.377 -0.167 176 HG12 VAL 26 2HG1 VAL 26 17.228 7.881 1.488 177 HG13 VAL 26 3HG1 VAL 26 17.089 6.669 0.214 178 HG21 VAL 26 1HG2 VAL 26 13.833 9.078 1.188 179 HG22 VAL 26 2HG2 VAL 26 15.180 9.492 0.127 180 HG23 VAL 26 3HG2 VAL 26 13.870 8.473 -0.468 181 H ASN 27 H ASN 27 13.225 7.153 -1.683 182 HA ASN 27 HA ASN 27 13.396 7.449 -3.932 183 HB2 ASN 27 1HB ASN 27 16.372 7.074 -3.545 184 HB3 ASN 27 2HB ASN 27 15.573 7.853 -4.907 185 HD21 ASN 27 1HD2 ASN 27 17.306 8.469 -2.260 186 HD22 ASN 27 2HD2 ASN 27 16.720 10.043 -1.855 187 H GLN 28 H GLN 28 13.219 4.757 -2.655 188 HA GLN 28 HA GLN 28 14.371 3.103 -4.793 189 HB2 GLN 28 1HB GLN 28 14.653 2.691 -2.189 190 HB3 GLN 28 2HB GLN 28 13.092 1.904 -2.380 191 HG2 GLN 28 1HG GLN 28 13.965 0.319 -3.893 192 HG3 GLN 28 2HG GLN 28 15.465 1.225 -4.087 193 HE21 GLN 28 1HE2 GLN 28 13.599 0.135 -1.272 194 HE22 GLN 28 2HE2 GLN 28 14.910 -0.689 -0.507 195 HA PRO 29 HA PRO 29 10.381 2.541 -6.574 196 HB2 PRO 29 1HB PRO 29 10.874 0.262 -7.964 197 HB3 PRO 29 2HB PRO 29 11.493 1.841 -8.459 198 HG2 PRO 29 1HG PRO 29 12.884 -0.359 -6.981 199 HG3 PRO 29 2HG PRO 29 13.487 0.655 -8.305 200 HD2 PRO 29 1HD PRO 29 14.124 1.111 -5.713 201 HD3 PRO 29 2HD PRO 29 13.965 2.420 -6.902 202 H ALA 30 H ALA 30 9.174 2.100 -4.679 203 HA ALA 30 HA ALA 30 9.078 -0.643 -3.708 204 HB1 ALA 30 1HB ALA 30 7.310 1.557 -2.715 205 HB2 ALA 30 2HB ALA 30 7.946 0.157 -1.850 206 HB3 ALA 30 3HB ALA 30 9.013 1.500 -2.260 207 H SER 31 H SER 31 7.661 -2.092 -4.411 208 HA SER 31 HA SER 31 5.044 -1.230 -5.374 209 HB2 SER 31 1HB SER 31 5.201 -2.413 -7.459 210 HB3 SER 31 2HB SER 31 6.604 -1.350 -7.351 211 HG SER 31 HG SER 31 7.515 -3.453 -6.308 212 H PHE 32 H PHE 32 3.435 -2.678 -4.986 213 HA PHE 32 HA PHE 32 4.098 -5.409 -4.224 214 HB2 PHE 32 1HB PHE 32 2.448 -4.989 -2.196 215 HB3 PHE 32 2HB PHE 32 4.172 -4.666 -2.049 216 HD1 PHE 32 2HD PHE 32 4.962 -2.272 -2.470 217 HD2 PHE 32 1HD PHE 32 0.893 -3.316 -1.782 218 HE1 PHE 32 2HE PHE 32 4.473 0.057 -1.847 219 HE2 PHE 32 1HE PHE 32 0.398 -0.988 -1.159 220 HZ PHE 32 HZ PHE 32 2.189 0.702 -1.190 221 H ALA 33 H ALA 33 1.905 -6.540 -3.560 222 HA ALA 33 HA ALA 33 -0.100 -5.733 -5.565 223 HB1 ALA 33 1HB ALA 33 1.234 -8.241 -5.126 224 HB2 ALA 33 2HB ALA 33 -0.512 -8.433 -4.960 225 HB3 ALA 33 3HB ALA 33 0.164 -7.756 -6.441 226 H VAL 34 H VAL 34 -2.308 -6.003 -5.053 227 HA VAL 34 HA VAL 34 -2.871 -6.298 -2.173 228 HB VAL 34 HB VAL 34 -4.278 -4.445 -4.101 229 HG11 VAL 34 1HG1 VAL 34 -5.951 -4.719 -2.625 230 HG12 VAL 34 2HG1 VAL 34 -4.888 -5.399 -1.391 231 HG13 VAL 34 3HG1 VAL 34 -4.988 -3.651 -1.605 232 HG21 VAL 34 1HG2 VAL 34 -3.063 -3.119 -1.883 233 HG22 VAL 34 2HG2 VAL 34 -1.850 -4.103 -2.702 234 HG23 VAL 34 3HG2 VAL 34 -2.764 -2.896 -3.606 235 H GLN 35 H GLN 35 -3.700 -8.315 -2.077 236 HA GLN 35 HA GLN 35 -5.385 -9.418 -4.100 237 HB2 GLN 35 1HB GLN 35 -3.851 -10.558 -2.254 238 HB3 GLN 35 2HB GLN 35 -5.355 -10.548 -1.342 239 HG2 GLN 35 1HG GLN 35 -5.375 -11.601 -4.123 240 HG3 GLN 35 2HG GLN 35 -4.682 -12.590 -2.839 241 HE21 GLN 35 1HE2 GLN 35 -7.358 -12.218 -4.551 242 HE22 GLN 35 2HE2 GLN 35 -8.557 -12.680 -3.397 243 H LEU 36 H LEU 36 -7.516 -9.250 -4.338 244 HA LEU 36 HA LEU 36 -9.063 -7.517 -2.741 245 HB2 LEU 36 1HB LEU 36 -10.142 -9.641 -4.577 246 HB3 LEU 36 2HB LEU 36 -10.907 -8.122 -4.113 247 HG LEU 36 HG LEU 36 -8.379 -8.239 -5.742 248 HD11 LEU 36 1HD1 LEU 36 -11.212 -8.577 -6.560 249 HD12 LEU 36 2HD1 LEU 36 -9.744 -9.271 -7.245 250 HD13 LEU 36 3HD1 LEU 36 -10.164 -7.591 -7.580 251 HD21 LEU 36 1HD2 LEU 36 -10.000 -5.995 -6.290 252 HD22 LEU 36 2HD2 LEU 36 -8.428 -6.037 -5.490 253 HD23 LEU 36 3HD2 LEU 36 -9.907 -6.154 -4.535 254 H ASN 37 H ASN 37 -8.644 -11.003 -2.753 255 HA ASN 37 HA ASN 37 -9.237 -12.617 -1.264 256 HB2 ASN 37 1HB ASN 37 -9.340 -10.136 0.377 257 HB3 ASN 37 2HB ASN 37 -10.096 -11.579 1.046 258 HD21 ASN 37 1HD2 ASN 37 -7.131 -10.067 0.106 259 HD22 ASN 37 2HD2 ASN 37 -6.070 -11.231 0.816 260 H GLY 38 H GLY 38 -11.192 -11.429 -3.118 261 HA2 GLY 38 1HA GLY 38 -13.354 -12.406 -3.486 262 HA3 GLY 38 2HA GLY 38 -13.612 -12.394 -1.748 263 H ALA 39 H ALA 39 -12.342 -9.694 -3.605 264 HA ALA 39 HA ALA 39 -14.850 -8.236 -3.076 265 HB1 ALA 39 1HB ALA 39 -12.633 -7.656 -1.768 266 HB2 ALA 39 2HB ALA 39 -12.280 -6.752 -3.240 267 HB3 ALA 39 3HB ALA 39 -13.737 -6.394 -2.314 268 H ARG 40 H ARG 40 -15.024 -6.227 -4.499 269 HA ARG 40 HA ARG 40 -13.768 -6.492 -7.107 270 HB2 ARG 40 1HB ARG 40 -16.680 -6.968 -6.587 271 HB3 ARG 40 2HB ARG 40 -16.177 -6.241 -8.107 272 HG2 ARG 40 1HG ARG 40 -15.149 -8.870 -7.063 273 HG3 ARG 40 2HG ARG 40 -16.479 -8.697 -8.211 274 HD2 ARG 40 1HD ARG 40 -14.776 -7.310 -9.588 275 HD3 ARG 40 2HD ARG 40 -13.568 -8.106 -8.581 276 HE ARG 40 HE ARG 40 -15.022 -10.180 -9.473 277 HH11 ARG 40 1HH1 ARG 40 -13.570 -7.467 -11.102 278 HH12 ARG 40 2HH1 ARG 40 -13.308 -8.329 -12.582 279 HH21 ARG 40 1HH2 ARG 40 -14.683 -11.325 -11.416 280 HH22 ARG 40 2HH2 ARG 40 -13.942 -10.523 -12.760 281 H GLY 41 H GLY 41 -13.168 -4.527 -7.722 282 HA2 GLY 41 1HA GLY 41 -14.743 -2.302 -8.030 283 HA3 GLY 41 2HA GLY 41 -14.135 -2.185 -6.385 284 H VAL 42 H VAL 42 -13.090 -0.219 -7.088 285 HA VAL 42 HA VAL 42 -10.656 -0.712 -8.677 286 HB VAL 42 HB VAL 42 -12.120 1.899 -8.263 287 HG11 VAL 42 1HG1 VAL 42 -9.441 1.538 -8.766 288 HG12 VAL 42 2HG1 VAL 42 -10.122 1.767 -10.378 289 HG13 VAL 42 3HG1 VAL 42 -10.375 2.989 -9.131 290 HG21 VAL 42 1HG2 VAL 42 -13.450 0.917 -9.822 291 HG22 VAL 42 2HG2 VAL 42 -12.195 1.524 -10.902 292 HG23 VAL 42 3HG2 VAL 42 -12.177 -0.163 -10.390 293 H ILE 43 H ILE 43 -8.713 -0.311 -7.787 294 HA ILE 43 HA ILE 43 -8.673 0.563 -4.993 295 HB ILE 43 HB ILE 43 -6.501 -0.743 -6.637 296 HG12 ILE 43 1HG1 ILE 43 -8.666 -2.035 -5.916 297 HG13 ILE 43 2HG1 ILE 43 -7.086 -2.781 -5.701 298 HG21 ILE 43 1HG2 ILE 43 -5.548 -1.124 -4.277 299 HG22 ILE 43 2HG2 ILE 43 -5.370 0.471 -5.006 300 HG23 ILE 43 3HG2 ILE 43 -6.619 0.190 -3.793 301 HD11 ILE 43 1HD1 ILE 43 -8.778 -2.910 -3.783 302 HD12 ILE 43 2HD1 ILE 43 -7.115 -2.460 -3.403 303 HD13 ILE 43 3HD1 ILE 43 -8.365 -1.220 -3.495 304 H ASP 44 H ASP 44 -8.012 2.529 -4.452 305 HA ASP 44 HA ASP 44 -6.506 4.097 -6.437 306 HB2 ASP 44 1HB ASP 44 -8.004 5.295 -4.122 307 HB3 ASP 44 2HB ASP 44 -7.535 6.051 -5.643 308 H ALA 45 H ALA 45 -4.424 4.316 -5.999 309 HA ALA 45 HA ALA 45 -3.560 4.297 -3.183 310 HB1 ALA 45 1HB ALA 45 -1.668 3.826 -5.443 311 HB2 ALA 45 2HB ALA 45 -1.603 3.240 -3.780 312 HB3 ALA 45 3HB ALA 45 -2.746 2.531 -4.921 313 H ARG 46 H ARG 46 -2.615 6.055 -2.356 314 HA ARG 46 HA ARG 46 -1.250 7.965 -4.050 315 HB2 ARG 46 1HB ARG 46 -3.836 8.594 -2.650 316 HB3 ARG 46 2HB ARG 46 -2.654 9.852 -2.983 317 HG2 ARG 46 1HG ARG 46 -2.771 8.973 -5.417 318 HG3 ARG 46 2HG ARG 46 -4.292 8.246 -4.893 319 HD2 ARG 46 1HD ARG 46 -3.727 11.137 -4.362 320 HD3 ARG 46 2HD ARG 46 -4.305 10.618 -5.945 321 HE ARG 46 HE ARG 46 -6.019 9.490 -4.105 322 HH11 ARG 46 1HH1 ARG 46 -5.021 12.700 -5.010 323 HH12 ARG 46 2HH1 ARG 46 -6.530 13.432 -4.576 324 HH21 ARG 46 1HH2 ARG 46 -8.010 10.442 -3.531 325 HH22 ARG 46 2HH2 ARG 46 -8.229 12.147 -3.735 326 H VAL 47 H VAL 47 0.527 8.556 -3.010 327 HA VAL 47 HA VAL 47 0.681 8.188 -0.116 328 HB VAL 47 HB VAL 47 3.103 8.480 -0.388 329 HG11 VAL 47 1HG1 VAL 47 3.335 6.320 -0.914 330 HG12 VAL 47 2HG1 VAL 47 1.587 6.323 -1.157 331 HG13 VAL 47 3HG1 VAL 47 2.670 6.552 -2.531 332 HG21 VAL 47 1HG2 VAL 47 3.751 8.345 -2.980 333 HG22 VAL 47 2HG2 VAL 47 2.273 9.300 -3.108 334 HG23 VAL 47 3HG2 VAL 47 3.609 9.871 -2.107 335 H HIS 48 H HIS 48 1.231 9.805 1.319 336 HA HIS 48 HA HIS 48 1.023 12.547 0.264 337 HB2 HIS 48 1HB HIS 48 0.176 11.354 2.901 338 HB3 HIS 48 2HB HIS 48 0.333 13.093 2.667 339 HD1 HIS 48 1HD HIS 48 -1.676 14.256 1.784 340 HD2 HIS 48 2HD HIS 48 -1.788 10.169 1.046 341 HE1 HIS 48 1HE HIS 48 -3.940 13.816 0.782 342 HE2 HIS 48 2HE HIS 48 -4.017 11.324 0.423 343 H THR 49 H THR 49 2.934 13.513 0.164 344 HA THR 49 HA THR 49 5.237 12.666 1.556 345 HB THR 49 HB THR 49 6.243 14.821 0.778 346 HG1 THR 49 1HG THR 49 4.987 16.359 0.026 347 HG21 THR 49 1HG2 THR 49 4.715 13.314 -1.348 348 HG22 THR 49 2HG2 THR 49 6.239 12.791 -0.631 349 HG23 THR 49 3HG2 THR 49 6.177 14.272 -1.586 350 HA PRO 50 HA PRO 50 4.828 14.622 5.475 351 HB2 PRO 50 1HB PRO 50 7.450 14.901 6.121 352 HB3 PRO 50 2HB PRO 50 6.617 13.342 6.139 353 HG2 PRO 50 1HG PRO 50 8.402 14.512 4.040 354 HG3 PRO 50 2HG PRO 50 8.355 12.856 4.673 355 HD2 PRO 50 1HD PRO 50 7.211 13.549 2.318 356 HD3 PRO 50 2HD PRO 50 6.552 12.271 3.360 357 H SER 51 H SER 51 6.066 16.166 2.758 358 HA SER 51 HA SER 51 6.799 18.632 4.104 359 HB2 SER 51 1HB SER 51 6.729 17.813 1.198 360 HB3 SER 51 2HB SER 51 7.119 19.452 1.719 361 HG SER 51 HG SER 51 8.627 17.152 1.842 362 H GLY 52 H GLY 52 4.171 17.351 2.140 363 HA2 GLY 52 1HA GLY 52 1.951 18.303 2.839 364 HA3 GLY 52 2HA GLY 52 2.699 19.874 2.591 365 H ALA 53 H ALA 53 3.323 17.159 0.483 366 HA ALA 53 HA ALA 53 1.671 18.441 -1.594 367 HB1 ALA 53 1HB ALA 53 3.473 17.505 -3.191 368 HB2 ALA 53 2HB ALA 53 3.819 18.980 -2.287 369 HB3 ALA 53 3HB ALA 53 4.488 17.439 -1.750 370 H VAL 54 H VAL 54 0.215 17.151 -2.512 371 HA VAL 54 HA VAL 54 0.038 14.389 -1.758 372 HB VAL 54 HB VAL 54 -1.613 16.015 -3.696 373 HG11 VAL 54 1HG1 VAL 54 -3.263 14.083 -3.278 374 HG12 VAL 54 2HG1 VAL 54 -1.937 13.822 -4.413 375 HG13 VAL 54 3HG1 VAL 54 -1.839 13.172 -2.776 376 HG21 VAL 54 1HG2 VAL 54 -2.414 16.892 -1.803 377 HG22 VAL 54 2HG2 VAL 54 -3.187 15.328 -1.548 378 HG23 VAL 54 3HG2 VAL 54 -1.626 15.672 -0.803 379 H GLU 55 H GLU 55 1.236 12.866 -2.678 380 HA GLU 55 HA GLU 55 2.160 13.200 -5.427 381 HB2 GLU 55 1HB GLU 55 2.972 11.474 -3.124 382 HB3 GLU 55 2HB GLU 55 3.372 10.959 -4.757 383 HG2 GLU 55 1HG GLU 55 4.589 13.021 -5.136 384 HG3 GLU 55 2HG GLU 55 4.146 13.596 -3.529 385 H GLU 56 H GLU 56 1.984 11.463 -6.970 386 HA GLU 56 HA GLU 56 -0.458 9.866 -6.571 387 HB2 GLU 56 1HB GLU 56 -0.832 9.963 -8.942 388 HB3 GLU 56 2HB GLU 56 -0.555 11.600 -8.362 389 HG2 GLU 56 1HG GLU 56 1.819 11.371 -9.109 390 HG3 GLU 56 2HG GLU 56 1.369 9.840 -9.857 391 H CYS 57 H CYS 57 -0.449 7.701 -7.015 392 HA CYS 57 HA CYS 57 2.195 6.496 -7.397 393 HB2 CYS 57 1HB CYS 57 -0.387 5.367 -6.306 394 HB3 CYS 57 2HB CYS 57 1.062 4.406 -6.574 395 HG CYS 57 HG CYS 57 0.434 6.703 -4.173 396 H TYR 58 H TYR 58 1.818 4.119 -8.412 397 HA TYR 58 HA TYR 58 0.399 4.564 -10.958 398 HB2 TYR 58 1HB TYR 58 2.916 4.536 -11.094 399 HB3 TYR 58 2HB TYR 58 2.862 2.856 -10.574 400 HD1 TYR 58 1HD TYR 58 1.737 1.159 -12.036 401 HD2 TYR 58 2HD TYR 58 2.491 5.136 -13.346 402 HE1 TYR 58 1HE TYR 58 1.431 0.442 -14.368 403 HE2 TYR 58 2HE TYR 58 2.185 4.430 -15.683 404 HH TYR 58 HH TYR 58 1.863 2.714 -17.060 405 H VAL 59 H VAL 59 -1.373 3.358 -11.019 406 HA VAL 59 HA VAL 59 -1.186 0.549 -10.164 407 HB VAL 59 HB VAL 59 -2.413 1.423 -8.386 408 HG11 VAL 59 1HG1 VAL 59 -3.942 3.187 -8.450 409 HG12 VAL 59 2HG1 VAL 59 -2.689 3.670 -9.595 410 HG13 VAL 59 3HG1 VAL 59 -4.216 3.010 -10.183 411 HG21 VAL 59 1HG2 VAL 59 -4.717 0.647 -8.703 412 HG22 VAL 59 2HG2 VAL 59 -4.461 0.606 -10.447 413 HG23 VAL 59 3HG2 VAL 59 -3.551 -0.480 -9.397 414 H SER 60 H SER 60 -1.804 -0.835 -11.686 415 HA SER 60 HA SER 60 -2.975 0.169 -14.136 416 HB2 SER 60 1HB SER 60 -1.103 -1.675 -13.792 417 HB3 SER 60 2HB SER 60 -2.500 -2.746 -13.679 418 HG SER 60 HG SER 60 -2.733 -2.588 -15.754 419 H GLU 61 H GLU 61 -4.925 -0.522 -15.045 420 HA GLU 61 HA GLU 61 -7.111 -0.733 -13.358 421 HB2 GLU 61 1HB GLU 61 -8.428 -1.143 -15.287 422 HB3 GLU 61 2HB GLU 61 -7.106 -0.110 -15.810 423 HG2 GLU 61 1HG GLU 61 -5.941 -2.306 -16.476 424 HG3 GLU 61 2HG GLU 61 -7.550 -3.016 -16.353 425 H LEU 62 H LEU 62 -8.721 -2.582 -13.375 426 HA LEU 62 HA LEU 62 -7.509 -4.860 -12.208 427 HB2 LEU 62 1HB LEU 62 -9.763 -3.969 -11.641 428 HB3 LEU 62 2HB LEU 62 -10.342 -4.570 -13.193 429 HG LEU 62 HG LEU 62 -9.648 -6.878 -12.398 430 HD11 LEU 62 1HD1 LEU 62 -8.179 -6.086 -10.578 431 HD12 LEU 62 2HD1 LEU 62 -9.408 -7.224 -10.026 432 HD13 LEU 62 3HD1 LEU 62 -9.603 -5.498 -9.718 433 HD21 LEU 62 1HD2 LEU 62 -11.909 -5.237 -11.407 434 HD22 LEU 62 2HD2 LEU 62 -11.665 -6.816 -10.662 435 HD23 LEU 62 3HD2 LEU 62 -11.912 -6.692 -12.404 436 H ASP 63 H ASP 63 -6.419 -6.335 -13.322 437 HA ASP 63 HA ASP 63 -7.530 -7.243 -15.896 438 HB2 ASP 63 1HB ASP 63 -5.244 -5.951 -15.816 439 HB3 ASP 63 2HB ASP 63 -4.613 -7.502 -15.271 440 H SER 64 H SER 64 -5.304 -8.284 -13.308 441 HA SER 64 HA SER 64 -6.360 -11.015 -13.628 442 HB2 SER 64 1HB SER 64 -3.690 -10.019 -12.623 443 HB3 SER 64 2HB SER 64 -4.224 -11.688 -12.430 444 HG SER 64 HG SER 64 -3.345 -10.359 -14.679 445 H ASP 65 H ASP 65 -8.100 -9.708 -12.261 446 HA ASP 65 HA ASP 65 -9.061 -9.229 -10.222 447 HB2 ASP 65 1HB ASP 65 -7.958 -12.022 -9.939 448 HB3 ASP 65 2HB ASP 65 -8.998 -11.293 -8.719 449 H LYS 66 H LYS 66 -6.557 -8.012 -10.361 450 HA LYS 66 HA LYS 66 -5.961 -7.760 -7.555 451 HB2 LYS 66 1HB LYS 66 -3.915 -8.861 -9.480 452 HB3 LYS 66 2HB LYS 66 -3.476 -8.109 -7.952 453 HG2 LYS 66 1HG LYS 66 -5.055 -9.819 -6.880 454 HG3 LYS 66 2HG LYS 66 -4.965 -10.664 -8.427 455 HD2 LYS 66 1HD LYS 66 -2.542 -9.860 -6.826 456 HD3 LYS 66 2HD LYS 66 -3.325 -11.435 -6.681 457 HE2 LYS 66 1HE LYS 66 -3.033 -11.531 -9.258 458 HE3 LYS 66 2HE LYS 66 -1.835 -10.264 -8.999 459 HZ1 LYS 66 1HZ LYS 66 -0.982 -12.616 -9.013 460 HZ2 LYS 66 2HZ LYS 66 -1.772 -12.837 -7.534 461 HZ3 LYS 66 3HZ LYS 66 -0.540 -11.686 -7.670 462 H HIS 67 H HIS 67 -4.031 -6.136 -7.315 463 HA HIS 67 HA HIS 67 -3.979 -4.193 -9.495 464 HB2 HIS 67 1HB HIS 67 -4.960 -3.614 -6.700 465 HB3 HIS 67 2HB HIS 67 -4.408 -2.350 -7.795 466 HD1 HIS 67 1HD HIS 67 -5.937 -1.752 -9.782 467 HD2 HIS 67 2HD HIS 67 -7.449 -4.744 -7.328 468 HE1 HIS 67 1HE HIS 67 -8.344 -2.022 -10.456 469 HE2 HIS 67 2HE HIS 67 -9.261 -3.777 -8.900 470 H THR 68 H THR 68 -1.902 -3.841 -9.872 471 HA THR 68 HA THR 68 0.049 -4.147 -7.727 472 HB THR 68 HB THR 68 0.605 -3.561 -10.637 473 HG1 THR 68 1HG THR 68 0.543 -5.702 -11.006 474 HG21 THR 68 1HG2 THR 68 2.756 -3.603 -10.055 475 HG22 THR 68 2HG2 THR 68 2.551 -5.170 -9.273 476 HG23 THR 68 3HG2 THR 68 2.260 -3.687 -8.365 477 H ILE 69 H ILE 69 1.032 -2.501 -6.736 478 HA ILE 69 HA ILE 69 0.579 0.210 -7.793 479 HB ILE 69 HB ILE 69 1.400 -0.320 -4.962 480 HG12 ILE 69 1HG1 ILE 69 -0.540 -1.763 -5.336 481 HG13 ILE 69 2HG1 ILE 69 -0.977 -0.397 -4.315 482 HG21 ILE 69 1HG2 ILE 69 1.284 1.899 -4.936 483 HG22 ILE 69 2HG2 ILE 69 0.581 1.937 -6.552 484 HG23 ILE 69 3HG2 ILE 69 -0.461 1.751 -5.142 485 HD11 ILE 69 1HD1 ILE 69 -2.103 0.677 -6.108 486 HD12 ILE 69 2HD1 ILE 69 -1.483 -0.491 -7.275 487 HD13 ILE 69 3HD1 ILE 69 -2.653 -0.997 -6.057 488 H ARG 70 H ARG 70 2.272 1.702 -7.821 489 HA ARG 70 HA ARG 70 4.943 0.799 -7.093 490 HB2 ARG 70 1HB ARG 70 4.367 0.170 -9.537 491 HB3 ARG 70 2HB ARG 70 4.511 1.893 -9.857 492 HG2 ARG 70 1HG ARG 70 6.814 1.807 -8.911 493 HG3 ARG 70 2HG ARG 70 6.647 0.053 -8.811 494 HD2 ARG 70 1HD ARG 70 7.831 0.707 -10.840 495 HD3 ARG 70 2HD ARG 70 6.287 -0.055 -11.224 496 HE ARG 70 HE ARG 70 5.797 2.656 -11.147 497 HH11 ARG 70 1HH1 ARG 70 7.841 0.498 -12.958 498 HH12 ARG 70 2HH1 ARG 70 7.838 1.482 -14.384 499 HH21 ARG 70 1HH2 ARG 70 5.784 3.960 -13.018 500 HH22 ARG 70 2HH2 ARG 70 6.668 3.452 -14.417 501 H PHE 71 H PHE 71 5.946 2.397 -6.077 502 HA PHE 71 HA PHE 71 5.828 5.110 -7.018 503 HB2 PHE 71 1HB PHE 71 4.984 6.028 -4.848 504 HB3 PHE 71 2HB PHE 71 3.773 5.138 -5.765 505 HD1 PHE 71 1HD PHE 71 6.272 4.658 -3.047 506 HD2 PHE 71 2HD PHE 71 2.522 3.517 -4.708 507 HE1 PHE 71 1HE PHE 71 5.840 3.235 -1.086 508 HE2 PHE 71 2HE PHE 71 2.085 2.093 -2.750 509 HZ PHE 71 HZ PHE 71 3.744 1.951 -0.935 510 H ILE 72 H ILE 72 7.319 6.513 -5.904 511 HA ILE 72 HA ILE 72 9.298 5.063 -4.273 512 HB ILE 72 HB ILE 72 9.782 6.966 -6.553 513 HG12 ILE 72 1HG1 ILE 72 11.092 4.312 -5.981 514 HG13 ILE 72 2HG1 ILE 72 9.569 4.429 -6.856 515 HG21 ILE 72 1HG2 ILE 72 11.504 7.836 -5.448 516 HG22 ILE 72 2HG2 ILE 72 11.287 6.712 -4.108 517 HG23 ILE 72 3HG2 ILE 72 12.259 6.244 -5.502 518 HD11 ILE 72 1HD1 ILE 72 10.923 4.470 -8.642 519 HD12 ILE 72 2HD1 ILE 72 11.053 6.185 -8.249 520 HD13 ILE 72 3HD1 ILE 72 12.304 5.061 -7.718 521 HA PRO 73 HA PRO 73 8.541 8.340 -1.389 522 HB2 PRO 73 1HB PRO 73 10.559 7.739 0.325 523 HB3 PRO 73 2HB PRO 73 9.060 6.806 0.240 524 HG2 PRO 73 1HG PRO 73 11.730 6.217 -0.980 525 HG3 PRO 73 2HG PRO 73 10.611 5.118 -0.152 526 HD2 PRO 73 1HD PRO 73 10.797 5.246 -2.850 527 HD3 PRO 73 2HD PRO 73 9.276 4.871 -2.014 528 H HIS 74 H HIS 74 9.069 10.189 -2.553 529 HA HIS 74 HA HIS 74 11.593 10.944 -3.448 530 HB2 HIS 74 1HB HIS 74 9.090 12.428 -2.770 531 HB3 HIS 74 2HB HIS 74 10.560 13.349 -3.072 532 HD1 HIS 74 1HD HIS 74 8.950 10.395 -4.870 533 HD2 HIS 74 2HD HIS 74 10.505 14.171 -5.635 534 HE1 HIS 74 1HE HIS 74 8.757 10.710 -7.357 535 HE2 HIS 74 2HE HIS 74 9.783 12.966 -7.807 536 H GLU 75 H GLU 75 10.146 11.187 -0.276 537 HA GLU 75 HA GLU 75 12.696 12.250 0.739 538 HB2 GLU 75 1HB GLU 75 10.124 12.896 2.125 539 HB3 GLU 75 2HB GLU 75 11.653 13.763 2.154 540 HG2 GLU 75 1HG GLU 75 11.096 14.133 -0.395 541 HG3 GLU 75 2HG GLU 75 9.448 13.865 0.170 542 H ASN 76 H ASN 76 12.517 12.030 3.338 543 HA ASN 76 HA ASN 76 12.143 9.162 3.770 544 HB2 ASN 76 1HB ASN 76 13.517 11.183 5.554 545 HB3 ASN 76 2HB ASN 76 13.569 9.430 5.715 546 HD21 ASN 76 1HD2 ASN 76 14.086 8.507 3.292 547 HD22 ASN 76 2HD2 ASN 76 15.584 9.117 2.685 548 H GLY 77 H GLY 77 11.487 8.604 6.122 549 HA2 GLY 77 1HA GLY 77 10.148 9.249 8.034 550 HA3 GLY 77 2HA GLY 77 9.309 10.391 6.995 551 H VAL 78 H VAL 78 7.450 9.239 8.065 552 HA VAL 78 HA VAL 78 6.840 6.668 6.789 553 HB VAL 78 HB VAL 78 5.448 8.072 9.074 554 HG11 VAL 78 1HG1 VAL 78 4.891 5.249 8.744 555 HG12 VAL 78 2HG1 VAL 78 3.776 6.606 8.924 556 HG13 VAL 78 3HG1 VAL 78 4.404 6.184 7.330 557 HG21 VAL 78 1HG2 VAL 78 7.065 5.537 9.171 558 HG22 VAL 78 2HG2 VAL 78 7.758 7.127 9.490 559 HG23 VAL 78 3HG2 VAL 78 6.470 6.503 10.521 560 H HIS 79 H HIS 79 6.057 7.098 4.791 561 HA HIS 79 HA HIS 79 4.331 9.301 4.224 562 HB2 HIS 79 1HB HIS 79 5.097 6.854 2.628 563 HB3 HIS 79 2HB HIS 79 4.050 8.124 2.004 564 HD1 HIS 79 1HD HIS 79 7.226 8.626 4.006 565 HD2 HIS 79 2HD HIS 79 5.729 9.277 0.186 566 HE1 HIS 79 1HE HIS 79 8.988 9.965 2.813 567 HE2 HIS 79 2HE HIS 79 8.023 10.420 0.531 568 H SER 80 H SER 80 2.130 9.239 3.621 569 HA SER 80 HA SER 80 0.639 7.092 4.950 570 HB2 SER 80 1HB SER 80 0.091 9.966 4.368 571 HB3 SER 80 2HB SER 80 -1.284 8.865 4.449 572 HG SER 80 HG SER 80 -0.889 9.683 6.496 573 H ILE 81 H ILE 81 0.206 5.475 3.583 574 HA ILE 81 HA ILE 81 -0.355 5.990 0.785 575 HB ILE 81 HB ILE 81 -0.569 3.308 2.124 576 HG12 ILE 81 1HG1 ILE 81 1.606 4.486 2.701 577 HG13 ILE 81 2HG1 ILE 81 1.768 2.938 1.880 578 HG21 ILE 81 1HG2 ILE 81 -1.334 3.204 -0.082 579 HG22 ILE 81 2HG2 ILE 81 -0.074 4.290 -0.666 580 HG23 ILE 81 3HG2 ILE 81 0.336 2.645 -0.179 581 HD11 ILE 81 1HD1 ILE 81 1.941 4.325 -0.267 582 HD12 ILE 81 2HD1 ILE 81 2.235 5.690 0.811 583 HD13 ILE 81 3HD1 ILE 81 3.321 4.301 0.830 584 H ASP 82 H ASP 82 -2.327 6.673 0.266 585 HA ASP 82 HA ASP 82 -4.638 5.915 1.844 586 HB2 ASP 82 1HB ASP 82 -4.744 8.159 1.194 587 HB3 ASP 82 2HB ASP 82 -4.167 7.814 -0.434 588 H VAL 83 H VAL 83 -5.538 3.997 1.496 589 HA VAL 83 HA VAL 83 -5.726 3.017 -1.278 590 HB VAL 83 HB VAL 83 -5.648 1.410 1.280 591 HG11 VAL 83 1HG1 VAL 83 -5.382 -0.472 -0.517 592 HG12 VAL 83 2HG1 VAL 83 -6.987 0.112 -0.071 593 HG13 VAL 83 3HG1 VAL 83 -6.222 0.679 -1.556 594 HG21 VAL 83 1HG2 VAL 83 -3.637 0.959 -0.809 595 HG22 VAL 83 2HG2 VAL 83 -3.540 2.532 -0.019 596 HG23 VAL 83 3HG2 VAL 83 -3.453 1.056 0.942 597 H LYS 84 H LYS 84 -7.704 3.568 -1.974 598 HA LYS 84 HA LYS 84 -9.999 3.032 -0.209 599 HB2 LYS 84 1HB LYS 84 -9.504 5.067 -2.343 600 HB3 LYS 84 2HB LYS 84 -11.153 4.536 -2.042 601 HG2 LYS 84 1HG LYS 84 -10.494 5.065 0.459 602 HG3 LYS 84 2HG LYS 84 -9.326 6.128 -0.329 603 HD2 LYS 84 1HD LYS 84 -12.196 6.174 -1.171 604 HD3 LYS 84 2HD LYS 84 -11.691 7.031 0.287 605 HE2 LYS 84 1HE LYS 84 -10.158 7.428 -2.240 606 HE3 LYS 84 2HE LYS 84 -11.714 8.235 -2.046 607 HZ1 LYS 84 1HZ LYS 84 -10.190 9.758 -1.230 608 HZ2 LYS 84 2HZ LYS 84 -9.247 8.581 -0.464 609 HZ3 LYS 84 3HZ LYS 84 -10.752 9.009 0.179 610 H PHE 85 H PHE 85 -11.853 2.014 -1.078 611 HA PHE 85 HA PHE 85 -11.439 0.621 -3.635 612 HB2 PHE 85 1HB PHE 85 -11.013 -0.815 -1.558 613 HB3 PHE 85 2HB PHE 85 -12.744 -0.696 -1.259 614 HD1 PHE 85 1HD PHE 85 -10.642 -1.297 -4.286 615 HD2 PHE 85 2HD PHE 85 -13.845 -2.621 -1.816 616 HE1 PHE 85 1HE PHE 85 -11.029 -3.189 -5.810 617 HE2 PHE 85 2HE PHE 85 -14.237 -4.517 -3.335 618 HZ PHE 85 HZ PHE 85 -12.828 -4.803 -5.335 619 H ASN 86 H ASN 86 -12.934 1.426 -4.956 620 HA ASN 86 HA ASN 86 -14.896 2.365 -5.689 621 HB2 ASN 86 1HB ASN 86 -15.224 -0.236 -5.352 622 HB3 ASN 86 2HB ASN 86 -16.363 0.289 -4.115 623 HD21 ASN 86 1HD2 ASN 86 -16.684 -1.049 -6.767 624 HD22 ASN 86 2HD2 ASN 86 -17.848 -0.086 -7.605 625 H GLY 87 H GLY 87 -14.118 3.948 -3.723 626 HA2 GLY 87 1HA GLY 87 -14.930 5.572 -2.312 627 HA3 GLY 87 2HA GLY 87 -16.547 5.004 -2.700 628 H ALA 88 H ALA 88 -13.744 3.582 -1.015 629 HA ALA 88 HA ALA 88 -15.091 3.570 1.510 630 HB1 ALA 88 1HB ALA 88 -14.535 0.800 0.618 631 HB2 ALA 88 2HB ALA 88 -15.764 1.412 1.725 632 HB3 ALA 88 3HB ALA 88 -15.983 1.583 -0.016 633 H HIS 89 H HIS 89 -13.550 3.811 2.982 634 HA HIS 89 HA HIS 89 -10.790 3.373 2.315 635 HB2 HIS 89 1HB HIS 89 -12.285 4.567 4.593 636 HB3 HIS 89 2HB HIS 89 -10.655 3.982 4.916 637 HD1 HIS 89 1HD HIS 89 -8.711 5.333 3.976 638 HD2 HIS 89 2HD HIS 89 -12.431 6.765 2.806 639 HE1 HIS 89 1HE HIS 89 -8.268 7.571 2.920 640 HE2 HIS 89 2HE HIS 89 -10.542 8.457 2.297 641 H ILE 90 H ILE 90 -9.692 1.555 2.591 642 HA ILE 90 HA ILE 90 -10.833 -0.754 3.767 643 HB ILE 90 HB ILE 90 -8.744 -1.856 3.333 644 HG12 ILE 90 1HG1 ILE 90 -7.446 0.710 2.491 645 HG13 ILE 90 2HG1 ILE 90 -7.442 0.254 4.191 646 HG21 ILE 90 1HG2 ILE 90 -8.949 0.066 1.054 647 HG22 ILE 90 2HG2 ILE 90 -8.713 -1.681 1.028 648 HG23 ILE 90 3HG2 ILE 90 -10.294 -1.010 1.430 649 HD11 ILE 90 1HD1 ILE 90 -6.632 -1.986 2.629 650 HD12 ILE 90 2HD1 ILE 90 -5.684 -0.573 2.162 651 HD13 ILE 90 3HD1 ILE 90 -5.726 -1.089 3.848 652 HA PRO 91 HA PRO 91 -9.739 -0.380 8.006 653 HB2 PRO 91 1HB PRO 91 -9.399 -2.992 8.662 654 HB3 PRO 91 2HB PRO 91 -10.987 -2.277 8.359 655 HG2 PRO 91 1HG PRO 91 -9.265 -3.908 6.533 656 HG3 PRO 91 2HG PRO 91 -11.015 -4.002 6.800 657 HD2 PRO 91 1HD PRO 91 -9.933 -2.742 4.662 658 HD3 PRO 91 2HD PRO 91 -11.449 -2.210 5.417 659 H GLY 92 H GLY 92 -7.775 0.612 8.216 660 HA2 GLY 92 1HA GLY 92 -5.614 -0.064 9.330 661 HA3 GLY 92 2HA GLY 92 -5.382 -1.095 7.926 662 H SER 93 H SER 93 -6.746 1.241 6.389 663 HA SER 93 HA SER 93 -4.233 2.543 5.732 664 HB2 SER 93 1HB SER 93 -5.260 2.089 3.737 665 HB3 SER 93 2HB SER 93 -6.880 2.226 4.418 666 HG SER 93 HG SER 93 -6.700 4.453 4.334 667 HA PRO 94 HA PRO 94 -3.866 4.448 4.371 668 HB2 PRO 94 1HB PRO 94 -1.969 6.248 5.100 669 HB3 PRO 94 2HB PRO 94 -3.466 6.708 4.279 670 HG2 PRO 94 1HG PRO 94 -2.786 6.839 7.192 671 HG3 PRO 94 2HG PRO 94 -3.625 8.033 6.184 672 HD2 PRO 94 1HD PRO 94 -4.940 6.344 7.842 673 HD3 PRO 94 2HD PRO 94 -5.635 6.913 6.310 674 H PHE 95 H PHE 95 -2.053 3.204 4.141 675 HA PHE 95 HA PHE 95 -1.124 1.795 6.462 676 HB2 PHE 95 1HB PHE 95 -0.502 1.636 3.523 677 HB3 PHE 95 2HB PHE 95 0.431 0.719 4.700 678 HD1 PHE 95 1HD PHE 95 -1.278 -0.443 6.527 679 HD2 PHE 95 2HD PHE 95 -2.085 0.403 2.435 680 HE1 PHE 95 1HE PHE 95 -2.984 -2.216 6.501 681 HE2 PHE 95 2HE PHE 95 -3.794 -1.367 2.402 682 HZ PHE 95 HZ PHE 95 -4.246 -2.679 4.437 683 H LYS 96 H LYS 96 0.308 2.669 7.798 684 HA LYS 96 HA LYS 96 2.135 4.721 6.969 685 HB2 LYS 96 1HB LYS 96 2.069 3.205 9.583 686 HB3 LYS 96 2HB LYS 96 2.870 4.741 9.279 687 HG2 LYS 96 1HG LYS 96 -0.072 4.498 8.848 688 HG3 LYS 96 2HG LYS 96 0.569 4.684 10.482 689 HD2 LYS 96 1HD LYS 96 1.837 6.695 9.609 690 HD3 LYS 96 2HD LYS 96 0.854 6.564 8.148 691 HE2 LYS 96 1HE LYS 96 -1.161 6.901 9.405 692 HE3 LYS 96 2HE LYS 96 -0.280 6.819 10.930 693 HZ1 LYS 96 1HZ LYS 96 0.091 8.915 8.858 694 HZ2 LYS 96 2HZ LYS 96 0.866 8.849 10.360 695 HZ3 LYS 96 3HZ LYS 96 -0.805 9.102 10.281 696 H ILE 97 H ILE 97 3.766 4.131 5.669 697 HA ILE 97 HA ILE 97 5.298 1.715 6.362 698 HB ILE 97 HB ILE 97 6.207 1.860 4.045 699 HG12 ILE 97 1HG1 ILE 97 4.010 3.886 3.593 700 HG13 ILE 97 2HG1 ILE 97 5.704 4.319 3.798 701 HG21 ILE 97 1HG2 ILE 97 3.850 1.353 2.978 702 HG22 ILE 97 2HG2 ILE 97 4.578 0.262 4.155 703 HG23 ILE 97 3HG2 ILE 97 3.335 1.404 4.664 704 HD11 ILE 97 1HD1 ILE 97 6.214 2.861 1.829 705 HD12 ILE 97 2HD1 ILE 97 4.474 2.714 1.578 706 HD13 ILE 97 3HD1 ILE 97 5.250 4.295 1.477 707 H ARG 98 H ARG 98 7.387 1.865 6.935 708 HA ARG 98 HA ARG 98 8.508 4.513 7.308 709 HB2 ARG 98 1HB ARG 98 8.591 2.418 8.916 710 HB3 ARG 98 2HB ARG 98 10.011 2.016 7.961 711 HG2 ARG 98 1HG ARG 98 11.000 4.182 8.525 712 HG3 ARG 98 2HG ARG 98 9.578 4.570 9.496 713 HD2 ARG 98 1HD ARG 98 10.059 2.864 11.057 714 HD3 ARG 98 2HD ARG 98 11.252 2.123 9.990 715 HE ARG 98 HE ARG 98 11.676 4.296 11.801 716 HH11 ARG 98 1HH1 ARG 98 12.730 2.860 8.810 717 HH12 ARG 98 2HH1 ARG 98 14.324 3.532 8.898 718 HH21 ARG 98 1HH2 ARG 98 13.772 5.188 11.928 719 HH22 ARG 98 2HH2 ARG 98 14.916 4.856 10.672 720 H VAL 99 H VAL 99 10.198 5.378 6.223 721 HA VAL 99 HA VAL 99 11.417 3.739 4.096 722 HB VAL 99 HB VAL 99 10.678 6.665 4.002 723 HG11 VAL 99 1HG1 VAL 99 12.110 5.035 1.907 724 HG12 VAL 99 2HG1 VAL 99 11.660 6.738 1.798 725 HG13 VAL 99 3HG1 VAL 99 12.879 6.219 2.963 726 HG21 VAL 99 1HG2 VAL 99 9.208 6.033 2.199 727 HG22 VAL 99 2HG2 VAL 99 9.773 4.363 2.274 728 HG23 VAL 99 3HG2 VAL 99 8.845 5.042 3.612 729 H GLY 100 H GLY 100 13.465 3.332 4.608 730 HA2 GLY 100 1HA GLY 100 14.950 5.095 6.359 731 HA3 GLY 100 2HA GLY 100 15.510 3.568 5.692 732 H GLU 101 H GLU 101 17.534 4.599 5.259 733 HA GLU 101 HA GLU 101 17.447 6.390 2.919 734 HB2 GLU 101 1HB GLU 101 18.392 7.336 5.079 735 HB3 GLU 101 2HB GLU 101 19.717 6.196 4.896 736 HG2 GLU 101 1HG GLU 101 20.362 7.212 2.808 737 HG3 GLU 101 2HG GLU 101 18.971 8.293 2.872 738 H GLN 102 H GLN 102 19.383 6.217 1.491 739 HA GLN 102 HA GLN 102 19.674 3.631 0.498 740 HB2 GLN 102 1HB GLN 102 21.227 6.168 0.090 741 HB3 GLN 102 2HB GLN 102 21.741 4.671 -0.676 742 HG2 GLN 102 1HG GLN 102 19.053 5.984 -1.016 743 HG3 GLN 102 2HG GLN 102 20.387 6.044 -2.168 744 HE21 GLN 102 1HE2 GLN 102 17.757 5.060 -2.655 745 HE22 GLN 102 2HE2 GLN 102 17.899 3.387 -3.063 746 H SER 103 H SER 103 20.588 1.969 1.499 747 HA SER 103 HA SER 103 22.826 2.417 3.321 748 HB2 SER 103 1HB SER 103 20.835 0.238 2.913 749 HB3 SER 103 2HB SER 103 22.409 -0.207 3.571 750 HG SER 103 HG SER 103 20.953 1.951 4.649 751 H GLN 104 H GLN 104 24.416 2.882 1.729 752 HA GLN 104 HA GLN 104 25.422 0.470 0.381 753 HB2 GLN 104 1HB GLN 104 24.375 1.957 -1.280 754 HB3 GLN 104 2HB GLN 104 25.426 3.269 -0.762 755 HG2 GLN 104 1HG GLN 104 27.298 2.330 -1.723 756 HG3 GLN 104 2HG GLN 104 26.615 0.705 -1.714 757 HE21 GLN 104 1HE2 GLN 104 27.228 0.529 -3.917 758 HE22 GLN 104 2HE2 GLN 104 26.275 1.259 -5.160 759 H ALA 105 H ALA 105 27.560 0.083 0.592 760 HA ALA 105 HA ALA 105 29.232 2.186 1.793 761 HB1 ALA 105 1HB ALA 105 28.337 0.096 3.249 762 HB2 ALA 105 2HB ALA 105 29.843 -0.571 2.619 763 HB3 ALA 105 3HB ALA 105 29.863 0.927 3.549 764 H GLY 106 H GLY 106 31.272 2.366 0.998 765 HA2 GLY 106 1HA GLY 106 31.934 0.604 -1.261 766 HA3 GLY 106 2HA GLY 106 32.578 2.218 -1.000 767 H SER 107 H SER 107 32.898 -1.151 -0.273 768 HA SER 107 HA SER 107 35.607 -0.688 0.663 769 HB2 SER 107 1HB SER 107 33.653 -2.257 2.361 770 HB3 SER 107 2HB SER 107 35.354 -1.957 2.717 771 HG SER 107 HG SER 107 34.893 0.028 3.325 772 H GLY 108 H GLY 108 36.632 -2.945 1.192 773 HA2 GLY 108 1HA GLY 108 36.650 -4.443 -1.162 774 HA3 GLY 108 2HA GLY 108 37.300 -4.984 0.378 775 HA PRO 109 HA PRO 109 33.898 -7.888 -0.692 776 HB2 PRO 109 1HB PRO 109 35.188 -10.083 0.249 777 HB3 PRO 109 2HB PRO 109 35.431 -9.453 -1.384 778 HG2 PRO 109 1HG PRO 109 37.116 -9.076 1.061 779 HG3 PRO 109 2HG PRO 109 37.621 -9.413 -0.605 780 HD2 PRO 109 1HD PRO 109 37.709 -6.929 0.471 781 HD3 PRO 109 2HD PRO 109 37.391 -7.213 -1.253 782 H SER 110 H SER 110 33.269 -9.884 0.934 783 HA SER 110 HA SER 110 33.051 -8.671 3.612 784 HB2 SER 110 1HB SER 110 30.801 -9.435 3.796 785 HB3 SER 110 2HB SER 110 30.928 -8.670 2.212 786 HG SER 110 HG SER 110 30.388 -11.266 2.858 787 H SER 111 H SER 111 35.158 -10.308 3.122 788 HA SER 111 HA SER 111 34.392 -12.939 4.181 789 HB2 SER 111 1HB SER 111 36.737 -13.591 3.524 790 HB3 SER 111 2HB SER 111 35.701 -13.123 2.176 791 HG SER 111 HG SER 111 36.744 -11.180 2.053 792 H GLY 112 H GLY 112 36.785 -10.347 4.654 793 HA2 GLY 112 1HA GLY 112 36.809 -9.731 7.160 794 HA3 GLY 112 2HA GLY 112 37.308 -11.405 7.350 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -30.654 1.688 -7.340 2 HA2 GLY 1 1HA GLY 1 -28.706 1.470 -8.699 3 HA3 GLY 1 2HA GLY 1 -28.093 1.766 -7.079 4 H SER 2 H SER 2 -27.052 0.215 -9.448 5 HA SER 2 HA SER 2 -27.118 -2.521 -9.043 6 HB2 SER 2 1HB SER 2 -26.075 -1.469 -11.007 7 HB3 SER 2 2HB SER 2 -24.768 -0.861 -9.991 8 HG SER 2 HG SER 2 -24.109 -2.766 -10.977 9 H SER 3 H SER 3 -24.570 -0.307 -7.882 10 HA SER 3 HA SER 3 -23.713 -2.322 -5.958 11 HB2 SER 3 1HB SER 3 -21.834 -0.748 -5.521 12 HB3 SER 3 2HB SER 3 -21.960 -1.206 -7.220 13 HG SER 3 HG SER 3 -21.664 1.109 -6.721 14 H GLY 4 H GLY 4 -24.091 -2.235 -3.823 15 HA2 GLY 4 1HA GLY 4 -24.945 0.277 -2.599 16 HA3 GLY 4 2HA GLY 4 -26.090 -1.056 -2.558 17 H SER 5 H SER 5 -23.013 0.128 -1.396 18 HA SER 5 HA SER 5 -22.341 -2.148 0.161 19 HB2 SER 5 1HB SER 5 -20.732 -0.355 -0.559 20 HB3 SER 5 2HB SER 5 -21.469 0.709 0.638 21 HG SER 5 HG SER 5 -20.602 -1.808 1.479 22 H SER 6 H SER 6 -24.321 -2.648 1.230 23 HA SER 6 HA SER 6 -25.263 -0.762 3.247 24 HB2 SER 6 1HB SER 6 -27.037 -1.792 2.042 25 HB3 SER 6 2HB SER 6 -26.329 -3.396 2.227 26 HG SER 6 HG SER 6 -26.831 -3.338 4.406 27 H GLY 7 H GLY 7 -23.624 -0.788 4.779 28 HA2 GLY 7 1HA GLY 7 -22.842 -1.513 6.842 29 HA3 GLY 7 2HA GLY 7 -23.719 -3.018 6.612 30 H SER 8 H SER 8 -22.729 -4.737 5.521 31 HA SER 8 HA SER 8 -20.023 -5.116 5.997 32 HB2 SER 8 1HB SER 8 -20.202 -7.094 4.544 33 HB3 SER 8 2HB SER 8 -21.597 -6.966 5.615 34 HG SER 8 HG SER 8 -22.780 -6.946 3.894 35 H ASP 9 H ASP 9 -18.220 -4.490 5.009 36 HA ASP 9 HA ASP 9 -18.445 -3.347 2.302 37 HB2 ASP 9 1HB ASP 9 -17.820 -1.764 4.162 38 HB3 ASP 9 2HB ASP 9 -16.335 -2.689 4.362 39 H ASP 10 H ASP 10 -17.697 -4.720 0.833 40 HA ASP 10 HA ASP 10 -16.112 -6.947 1.271 41 HB2 ASP 10 1HB ASP 10 -16.024 -5.404 -1.314 42 HB3 ASP 10 2HB ASP 10 -15.928 -7.147 -1.073 43 H ALA 11 H ALA 11 -15.197 -3.630 1.000 44 HA ALA 11 HA ALA 11 -12.538 -3.848 0.184 45 HB1 ALA 11 1HB ALA 11 -14.060 -1.765 0.672 46 HB2 ALA 11 2HB ALA 11 -13.278 -1.836 2.251 47 HB3 ALA 11 3HB ALA 11 -12.303 -1.651 0.793 48 H ARG 12 H ARG 12 -14.030 -4.851 3.092 49 HA ARG 12 HA ARG 12 -11.793 -4.658 4.832 50 HB2 ARG 12 1HB ARG 12 -13.097 -5.752 6.404 51 HB3 ARG 12 2HB ARG 12 -14.317 -5.013 5.375 52 HG2 ARG 12 1HG ARG 12 -14.517 -7.171 4.162 53 HG3 ARG 12 2HG ARG 12 -13.411 -7.882 5.339 54 HD2 ARG 12 1HD ARG 12 -14.947 -7.793 7.040 55 HD3 ARG 12 2HD ARG 12 -15.809 -6.427 6.334 56 HE ARG 12 HE ARG 12 -17.190 -7.924 5.321 57 HH11 ARG 12 1HH1 ARG 12 -14.172 -9.514 6.016 58 HH12 ARG 12 2HH1 ARG 12 -14.707 -11.061 5.449 59 HH21 ARG 12 1HH2 ARG 12 -17.905 -9.955 4.571 60 HH22 ARG 12 2HH2 ARG 12 -16.830 -11.311 4.626 61 H ARG 13 H ARG 13 -12.812 -6.972 2.448 62 HA ARG 13 HA ARG 13 -11.169 -9.123 3.364 63 HB2 ARG 13 1HB ARG 13 -12.339 -8.668 0.614 64 HB3 ARG 13 2HB ARG 13 -11.718 -10.188 1.244 65 HG2 ARG 13 1HG ARG 13 -13.513 -10.434 2.731 66 HG3 ARG 13 2HG ARG 13 -14.001 -8.748 2.549 67 HD2 ARG 13 1HD ARG 13 -14.801 -9.125 0.349 68 HD3 ARG 13 2HD ARG 13 -14.046 -10.716 0.275 69 HE ARG 13 HE ARG 13 -16.551 -10.029 1.551 70 HH11 ARG 13 1HH1 ARG 13 -13.984 -12.359 1.226 71 HH12 ARG 13 2HH1 ARG 13 -14.940 -13.686 1.799 72 HH21 ARG 13 1HH2 ARG 13 -17.819 -11.768 2.307 73 HH22 ARG 13 2HH2 ARG 13 -17.121 -13.349 2.413 74 H LEU 14 H LEU 14 -10.541 -6.227 1.725 75 HA LEU 14 HA LEU 14 -8.397 -7.029 0.060 76 HB2 LEU 14 1HB LEU 14 -8.886 -4.345 1.342 77 HB3 LEU 14 2HB LEU 14 -7.823 -4.666 -0.026 78 HG LEU 14 HG LEU 14 -10.814 -5.052 -0.071 79 HD11 LEU 14 1HD1 LEU 14 -10.585 -2.749 0.140 80 HD12 LEU 14 2HD1 LEU 14 -10.631 -2.996 -1.606 81 HD13 LEU 14 3HD1 LEU 14 -9.090 -2.713 -0.796 82 HD21 LEU 14 1HD2 LEU 14 -10.476 -6.064 -2.014 83 HD22 LEU 14 2HD2 LEU 14 -8.733 -5.914 -1.793 84 HD23 LEU 14 3HD2 LEU 14 -9.630 -4.640 -2.620 85 H THR 15 H THR 15 -6.256 -7.255 0.435 86 HA THR 15 HA THR 15 -5.144 -6.460 3.013 87 HB THR 15 HB THR 15 -3.994 -8.772 3.114 88 HG1 THR 15 1HG THR 15 -4.603 -10.046 1.540 89 HG21 THR 15 1HG2 THR 15 -6.810 -9.264 3.740 90 HG22 THR 15 2HG2 THR 15 -6.202 -7.728 4.357 91 HG23 THR 15 3HG2 THR 15 -5.402 -9.236 4.801 92 H VAL 16 H VAL 16 -2.765 -6.669 3.067 93 HA VAL 16 HA VAL 16 -1.506 -6.772 0.422 94 HB VAL 16 HB VAL 16 -1.048 -4.514 2.377 95 HG11 VAL 16 1HG1 VAL 16 0.910 -5.280 0.993 96 HG12 VAL 16 2HG1 VAL 16 -0.008 -4.798 -0.435 97 HG13 VAL 16 3HG1 VAL 16 0.442 -3.594 0.774 98 HG21 VAL 16 1HG2 VAL 16 -2.823 -4.809 0.027 99 HG22 VAL 16 2HG2 VAL 16 -3.012 -3.819 1.475 100 HG23 VAL 16 3HG2 VAL 16 -1.943 -3.288 0.177 101 H THR 17 H THR 17 0.187 -8.080 0.488 102 HA THR 17 HA THR 17 1.523 -8.530 3.073 103 HB THR 17 HB THR 17 1.445 -10.327 0.641 104 HG1 THR 17 1HG THR 17 -0.433 -10.778 1.544 105 HG21 THR 17 1HG2 THR 17 2.338 -11.335 3.272 106 HG22 THR 17 2HG2 THR 17 3.450 -10.252 2.436 107 HG23 THR 17 3HG2 THR 17 2.906 -11.735 1.652 108 H SER 18 H SER 18 2.333 -8.638 -0.404 109 HA SER 18 HA SER 18 4.999 -8.583 -0.426 110 HB2 SER 18 1HB SER 18 2.992 -7.154 -2.099 111 HB3 SER 18 2HB SER 18 4.685 -6.702 -2.300 112 HG SER 18 HG SER 18 4.330 -8.366 -3.695 113 H LEU 19 H LEU 19 3.000 -5.728 0.241 114 HA LEU 19 HA LEU 19 4.805 -3.726 0.419 115 HB2 LEU 19 1HB LEU 19 2.502 -3.323 0.890 116 HB3 LEU 19 2HB LEU 19 2.551 -4.368 2.308 117 HG LEU 19 HG LEU 19 4.337 -2.569 3.101 118 HD11 LEU 19 1HD1 LEU 19 3.421 -1.431 0.719 119 HD12 LEU 19 2HD1 LEU 19 4.397 -0.662 1.969 120 HD13 LEU 19 3HD1 LEU 19 2.640 -0.520 2.012 121 HD21 LEU 19 1HD2 LEU 19 2.252 -3.215 4.244 122 HD22 LEU 19 2HD2 LEU 19 1.359 -2.102 3.207 123 HD23 LEU 19 3HD2 LEU 19 2.564 -1.481 4.336 124 H GLN 20 H GLN 20 6.443 -3.076 1.717 125 HA GLN 20 HA GLN 20 7.250 -4.936 3.847 126 HB2 GLN 20 1HB GLN 20 8.784 -4.536 1.859 127 HB3 GLN 20 2HB GLN 20 9.012 -2.906 2.480 128 HG2 GLN 20 1HG GLN 20 10.229 -3.611 4.285 129 HG3 GLN 20 2HG GLN 20 9.483 -5.208 4.302 130 HE21 GLN 20 1HE2 GLN 20 11.718 -3.153 2.513 131 HE22 GLN 20 2HE2 GLN 20 12.684 -4.440 1.885 132 H GLU 21 H GLU 21 5.899 -3.967 5.428 133 HA GLU 21 HA GLU 21 5.496 -1.426 6.160 134 HB2 GLU 21 1HB GLU 21 6.001 -3.874 7.789 135 HB3 GLU 21 2HB GLU 21 5.891 -2.329 8.621 136 HG2 GLU 21 1HG GLU 21 3.674 -2.080 8.167 137 HG3 GLU 21 2HG GLU 21 3.758 -3.019 6.678 138 H THR 22 H THR 22 8.429 -3.248 7.015 139 HA THR 22 HA THR 22 9.824 -0.675 7.336 140 HB THR 22 HB THR 22 11.162 -1.658 9.171 141 HG1 THR 22 1HG THR 22 10.437 -3.910 8.415 142 HG21 THR 22 1HG2 THR 22 8.613 -0.609 9.305 143 HG22 THR 22 2HG2 THR 22 9.712 -0.832 10.666 144 HG23 THR 22 3HG2 THR 22 8.505 -2.063 10.296 145 H GLY 23 H GLY 23 11.436 -0.514 5.930 146 HA2 GLY 23 1HA GLY 23 13.637 -1.970 5.585 147 HA3 GLY 23 2HA GLY 23 12.485 -2.914 4.653 148 H LEU 24 H LEU 24 10.989 -0.552 3.782 149 HA LEU 24 HA LEU 24 12.311 -0.049 1.369 150 HB2 LEU 24 1HB LEU 24 10.258 1.761 2.615 151 HB3 LEU 24 2HB LEU 24 10.595 1.526 0.901 152 HG LEU 24 HG LEU 24 9.273 -0.440 2.768 153 HD11 LEU 24 1HD1 LEU 24 8.025 0.600 0.285 154 HD12 LEU 24 2HD1 LEU 24 8.093 1.667 1.687 155 HD13 LEU 24 3HD1 LEU 24 7.284 0.104 1.808 156 HD21 LEU 24 1HD2 LEU 24 10.274 -0.706 -0.045 157 HD22 LEU 24 2HD2 LEU 24 8.914 -1.668 0.536 158 HD23 LEU 24 3HD2 LEU 24 10.489 -1.801 1.321 159 H LYS 25 H LYS 25 13.593 1.585 0.635 160 HA LYS 25 HA LYS 25 14.625 3.438 2.677 161 HB2 LYS 25 1HB LYS 25 15.983 2.558 0.124 162 HB3 LYS 25 2HB LYS 25 16.691 3.517 1.417 163 HG2 LYS 25 1HG LYS 25 16.835 1.699 2.858 164 HG3 LYS 25 2HG LYS 25 15.650 0.761 1.945 165 HD2 LYS 25 1HD LYS 25 17.329 0.766 0.041 166 HD3 LYS 25 2HD LYS 25 18.501 1.384 1.208 167 HE2 LYS 25 1HE LYS 25 18.790 -0.967 1.138 168 HE3 LYS 25 2HE LYS 25 17.950 -0.608 2.646 169 HZ1 LYS 25 1HZ LYS 25 15.847 -1.075 1.273 170 HZ2 LYS 25 2HZ LYS 25 16.776 -2.388 1.796 171 HZ3 LYS 25 3HZ LYS 25 16.891 -1.855 0.195 172 H VAL 26 H VAL 26 15.669 5.452 1.521 173 HA VAL 26 HA VAL 26 13.505 6.869 0.308 174 HB VAL 26 HB VAL 26 15.381 7.788 1.847 175 HG11 VAL 26 1HG1 VAL 26 16.709 8.048 -0.849 176 HG12 VAL 26 2HG1 VAL 26 17.265 8.790 0.653 177 HG13 VAL 26 3HG1 VAL 26 17.260 7.034 0.484 178 HG21 VAL 26 1HG2 VAL 26 13.747 8.973 -0.189 179 HG22 VAL 26 2HG2 VAL 26 14.213 9.621 1.383 180 HG23 VAL 26 3HG2 VAL 26 15.249 9.882 -0.020 181 H ASN 27 H ASN 27 13.384 7.757 -1.765 182 HA ASN 27 HA ASN 27 13.475 7.620 -4.039 183 HB2 ASN 27 1HB ASN 27 16.450 7.467 -3.506 184 HB3 ASN 27 2HB ASN 27 15.689 7.956 -5.018 185 HD21 ASN 27 1HD2 ASN 27 17.256 9.779 -4.385 186 HD22 ASN 27 2HD2 ASN 27 16.547 11.098 -3.524 187 H GLN 28 H GLN 28 12.825 5.205 -3.004 188 HA GLN 28 HA GLN 28 14.258 3.345 -4.777 189 HB2 GLN 28 1HB GLN 28 13.562 3.050 -1.893 190 HB3 GLN 28 2HB GLN 28 13.474 1.622 -2.916 191 HG2 GLN 28 1HG GLN 28 15.902 3.374 -2.612 192 HG3 GLN 28 2HG GLN 28 15.630 1.859 -1.751 193 HE21 GLN 28 1HE2 GLN 28 17.301 3.124 -4.183 194 HE22 GLN 28 2HE2 GLN 28 17.424 1.761 -5.238 195 HA PRO 29 HA PRO 29 10.252 2.570 -6.449 196 HB2 PRO 29 1HB PRO 29 10.811 0.246 -7.736 197 HB3 PRO 29 2HB PRO 29 11.353 1.823 -8.322 198 HG2 PRO 29 1HG PRO 29 12.865 -0.242 -6.770 199 HG3 PRO 29 2HG PRO 29 13.398 0.729 -8.155 200 HD2 PRO 29 1HD PRO 29 14.069 1.339 -5.603 201 HD3 PRO 29 2HD PRO 29 13.831 2.580 -6.851 202 H ALA 30 H ALA 30 8.960 2.140 -4.668 203 HA ALA 30 HA ALA 30 9.001 -0.591 -3.590 204 HB1 ALA 30 1HB ALA 30 7.791 1.956 -2.533 205 HB2 ALA 30 2HB ALA 30 7.531 0.371 -1.803 206 HB3 ALA 30 3HB ALA 30 9.156 1.053 -1.875 207 H SER 31 H SER 31 7.586 -1.992 -4.377 208 HA SER 31 HA SER 31 4.901 -1.060 -5.099 209 HB2 SER 31 1HB SER 31 4.966 -2.541 -7.122 210 HB3 SER 31 2HB SER 31 6.055 -1.157 -7.215 211 HG SER 31 HG SER 31 6.877 -3.363 -7.799 212 H PHE 32 H PHE 32 3.263 -2.606 -4.894 213 HA PHE 32 HA PHE 32 3.946 -5.274 -3.974 214 HB2 PHE 32 1HB PHE 32 2.224 -4.820 -2.018 215 HB3 PHE 32 2HB PHE 32 3.935 -4.450 -1.826 216 HD1 PHE 32 2HD PHE 32 4.639 -2.024 -2.489 217 HD2 PHE 32 1HD PHE 32 0.662 -3.202 -1.533 218 HE1 PHE 32 2HE PHE 32 4.076 0.313 -1.967 219 HE2 PHE 32 1HE PHE 32 0.092 -0.866 -1.010 220 HZ PHE 32 HZ PHE 32 1.800 0.895 -1.226 221 H ALA 33 H ALA 33 1.736 -6.406 -3.324 222 HA ALA 33 HA ALA 33 -0.203 -5.717 -5.436 223 HB1 ALA 33 1HB ALA 33 -0.620 -8.386 -4.750 224 HB2 ALA 33 2HB ALA 33 0.147 -7.769 -6.214 225 HB3 ALA 33 3HB ALA 33 1.133 -8.196 -4.816 226 H VAL 34 H VAL 34 -2.398 -5.836 -4.974 227 HA VAL 34 HA VAL 34 -3.078 -6.117 -2.118 228 HB VAL 34 HB VAL 34 -4.350 -4.240 -4.116 229 HG11 VAL 34 1HG1 VAL 34 -4.837 -4.389 -1.150 230 HG12 VAL 34 2HG1 VAL 34 -5.732 -3.461 -2.356 231 HG13 VAL 34 3HG1 VAL 34 -5.844 -5.222 -2.334 232 HG21 VAL 34 1HG2 VAL 34 -3.040 -2.572 -3.366 233 HG22 VAL 34 2HG2 VAL 34 -3.051 -3.170 -1.707 234 HG23 VAL 34 3HG2 VAL 34 -1.957 -3.881 -2.893 235 H GLN 35 H GLN 35 -3.973 -8.103 -2.025 236 HA GLN 35 HA GLN 35 -5.572 -9.219 -4.097 237 HB2 GLN 35 1HB GLN 35 -4.230 -10.515 -2.399 238 HB3 GLN 35 2HB GLN 35 -5.462 -10.104 -1.213 239 HG2 GLN 35 1HG GLN 35 -6.126 -12.194 -1.888 240 HG3 GLN 35 2HG GLN 35 -7.101 -11.152 -2.923 241 HE21 GLN 35 1HE2 GLN 35 -6.839 -11.233 -5.089 242 HE22 GLN 35 2HE2 GLN 35 -5.743 -12.297 -5.896 243 H LEU 36 H LEU 36 -7.807 -9.665 -4.086 244 HA LEU 36 HA LEU 36 -9.373 -7.643 -2.680 245 HB2 LEU 36 1HB LEU 36 -10.316 -9.578 -4.782 246 HB3 LEU 36 2HB LEU 36 -11.119 -8.107 -4.239 247 HG LEU 36 HG LEU 36 -8.496 -8.156 -5.726 248 HD11 LEU 36 1HD1 LEU 36 -11.150 -7.369 -6.878 249 HD12 LEU 36 2HD1 LEU 36 -10.553 -9.026 -6.972 250 HD13 LEU 36 3HD1 LEU 36 -9.636 -7.715 -7.715 251 HD21 LEU 36 1HD2 LEU 36 -9.385 -6.190 -4.162 252 HD22 LEU 36 2HD2 LEU 36 -10.282 -5.795 -5.628 253 HD23 LEU 36 3HD2 LEU 36 -8.520 -5.888 -5.669 254 H ASN 37 H ASN 37 -9.048 -11.131 -2.965 255 HA ASN 37 HA ASN 37 -9.871 -12.858 -1.735 256 HB2 ASN 37 1HB ASN 37 -10.026 -10.605 0.260 257 HB3 ASN 37 2HB ASN 37 -10.528 -12.241 0.677 258 HD21 ASN 37 1HD2 ASN 37 -7.975 -10.102 0.539 259 HD22 ASN 37 2HD2 ASN 37 -6.678 -11.223 0.751 260 H GLY 38 H GLY 38 -11.669 -11.448 -3.494 261 HA2 GLY 38 1HA GLY 38 -13.903 -12.120 -3.971 262 HA3 GLY 38 2HA GLY 38 -14.191 -12.282 -2.245 263 H ALA 39 H ALA 39 -12.760 -9.548 -3.980 264 HA ALA 39 HA ALA 39 -15.115 -7.938 -3.253 265 HB1 ALA 39 1HB ALA 39 -13.736 -6.112 -2.562 266 HB2 ALA 39 2HB ALA 39 -13.209 -7.553 -1.691 267 HB3 ALA 39 3HB ALA 39 -12.272 -6.959 -3.063 268 H ARG 40 H ARG 40 -15.774 -6.429 -4.731 269 HA ARG 40 HA ARG 40 -14.219 -6.257 -7.228 270 HB2 ARG 40 1HB ARG 40 -17.159 -6.688 -6.809 271 HB3 ARG 40 2HB ARG 40 -16.578 -5.911 -8.276 272 HG2 ARG 40 1HG ARG 40 -15.640 -8.607 -7.329 273 HG3 ARG 40 2HG ARG 40 -16.965 -8.366 -8.469 274 HD2 ARG 40 1HD ARG 40 -15.178 -6.918 -9.738 275 HD3 ARG 40 2HD ARG 40 -14.041 -7.905 -8.821 276 HE ARG 40 HE ARG 40 -15.630 -9.770 -9.884 277 HH11 ARG 40 1HH1 ARG 40 -14.087 -6.989 -11.300 278 HH12 ARG 40 2HH1 ARG 40 -13.930 -7.712 -12.867 279 HH21 ARG 40 1HH2 ARG 40 -15.431 -10.732 -11.942 280 HH22 ARG 40 2HH2 ARG 40 -14.696 -9.840 -13.232 281 H GLY 41 H GLY 41 -13.562 -4.260 -7.651 282 HA2 GLY 41 1HA GLY 41 -15.199 -1.996 -7.693 283 HA3 GLY 41 2HA GLY 41 -14.368 -2.011 -6.145 284 H VAL 42 H VAL 42 -13.255 -0.098 -6.679 285 HA VAL 42 HA VAL 42 -11.099 -0.487 -8.653 286 HB VAL 42 HB VAL 42 -12.384 2.146 -7.917 287 HG11 VAL 42 1HG1 VAL 42 -10.946 3.185 -9.393 288 HG12 VAL 42 2HG1 VAL 42 -9.898 1.959 -8.676 289 HG13 VAL 42 3HG1 VAL 42 -10.603 1.695 -10.272 290 HG21 VAL 42 1HG2 VAL 42 -13.049 0.133 -9.936 291 HG22 VAL 42 2HG2 VAL 42 -14.023 1.450 -9.284 292 HG23 VAL 42 3HG2 VAL 42 -12.864 1.766 -10.575 293 H ILE 43 H ILE 43 -9.127 -0.490 -7.813 294 HA ILE 43 HA ILE 43 -8.738 0.410 -5.069 295 HB ILE 43 HB ILE 43 -6.918 -1.095 -6.948 296 HG12 ILE 43 1HG1 ILE 43 -8.937 -2.271 -5.962 297 HG13 ILE 43 2HG1 ILE 43 -7.379 -3.010 -5.608 298 HG21 ILE 43 1HG2 ILE 43 -5.235 -0.383 -5.677 299 HG22 ILE 43 2HG2 ILE 43 -6.334 0.356 -4.513 300 HG23 ILE 43 3HG2 ILE 43 -5.924 -1.354 -4.376 301 HD11 ILE 43 1HD1 ILE 43 -7.424 -2.313 -3.388 302 HD12 ILE 43 2HD1 ILE 43 -8.669 -1.102 -3.697 303 HD13 ILE 43 3HD1 ILE 43 -9.082 -2.817 -3.719 304 H ASP 44 H ASP 44 -7.877 2.308 -4.569 305 HA ASP 44 HA ASP 44 -6.414 3.777 -6.662 306 HB2 ASP 44 1HB ASP 44 -8.573 4.785 -5.862 307 HB3 ASP 44 2HB ASP 44 -7.838 4.955 -4.270 308 H ALA 45 H ALA 45 -4.391 4.483 -6.272 309 HA ALA 45 HA ALA 45 -3.298 4.035 -3.570 310 HB1 ALA 45 1HB ALA 45 -1.108 3.618 -4.733 311 HB2 ALA 45 2HB ALA 45 -2.347 2.389 -4.993 312 HB3 ALA 45 3HB ALA 45 -2.007 3.578 -6.251 313 H ARG 46 H ARG 46 -2.707 5.845 -2.589 314 HA ARG 46 HA ARG 46 -1.439 7.975 -4.139 315 HB2 ARG 46 1HB ARG 46 -3.916 8.262 -2.457 316 HB3 ARG 46 2HB ARG 46 -2.837 9.624 -2.726 317 HG2 ARG 46 1HG ARG 46 -3.800 8.101 -5.088 318 HG3 ARG 46 2HG ARG 46 -4.919 9.192 -4.269 319 HD2 ARG 46 1HD ARG 46 -2.179 10.133 -5.003 320 HD3 ARG 46 2HD ARG 46 -3.443 10.068 -6.229 321 HE ARG 46 HE ARG 46 -3.197 11.972 -4.114 322 HH11 ARG 46 1HH1 ARG 46 -5.476 10.298 -6.146 323 HH12 ARG 46 2HH1 ARG 46 -6.690 11.527 -6.019 324 HH21 ARG 46 1HH2 ARG 46 -4.788 13.597 -3.940 325 HH22 ARG 46 2HH2 ARG 46 -6.298 13.404 -4.765 326 H VAL 47 H VAL 47 0.384 8.568 -3.181 327 HA VAL 47 HA VAL 47 0.791 7.889 -0.361 328 HB VAL 47 HB VAL 47 3.216 8.525 -0.930 329 HG11 VAL 47 1HG1 VAL 47 1.673 6.132 -1.537 330 HG12 VAL 47 2HG1 VAL 47 3.161 6.251 -2.478 331 HG13 VAL 47 3HG1 VAL 47 3.224 6.301 -0.716 332 HG21 VAL 47 1HG2 VAL 47 2.636 7.867 -3.746 333 HG22 VAL 47 2HG2 VAL 47 2.179 9.487 -3.220 334 HG23 VAL 47 3HG2 VAL 47 3.850 8.946 -3.058 335 H HIS 48 H HIS 48 1.634 9.390 1.128 336 HA HIS 48 HA HIS 48 1.165 12.202 0.386 337 HB2 HIS 48 1HB HIS 48 0.778 10.750 3.000 338 HB3 HIS 48 2HB HIS 48 0.834 12.508 2.901 339 HD1 HIS 48 1HD HIS 48 -1.389 13.551 2.702 340 HD2 HIS 48 2HD HIS 48 -1.347 9.714 1.109 341 HE1 HIS 48 1HE HIS 48 -3.749 13.107 1.957 342 HE2 HIS 48 2HE HIS 48 -3.718 10.748 1.074 343 H THR 49 H THR 49 2.815 13.582 0.511 344 HA THR 49 HA THR 49 5.376 12.602 1.492 345 HB THR 49 HB THR 49 6.387 14.460 0.369 346 HG1 THR 49 1HG THR 49 5.330 16.266 0.040 347 HG21 THR 49 1HG2 THR 49 4.910 12.529 -0.937 348 HG22 THR 49 2HG2 THR 49 6.109 13.590 -1.677 349 HG23 THR 49 3HG2 THR 49 4.400 14.026 -1.718 350 HA PRO 50 HA PRO 50 5.254 14.804 5.300 351 HB2 PRO 50 1HB PRO 50 7.917 15.118 5.724 352 HB3 PRO 50 2HB PRO 50 7.092 13.566 5.907 353 HG2 PRO 50 1HG PRO 50 8.707 14.592 3.605 354 HG3 PRO 50 2HG PRO 50 8.713 12.981 4.346 355 HD2 PRO 50 1HD PRO 50 7.391 13.521 2.046 356 HD3 PRO 50 2HD PRO 50 6.818 12.316 3.217 357 H SER 51 H SER 51 6.208 16.173 2.401 358 HA SER 51 HA SER 51 6.914 18.755 3.591 359 HB2 SER 51 1HB SER 51 7.252 19.317 1.059 360 HB3 SER 51 2HB SER 51 8.440 18.312 1.889 361 HG SER 51 HG SER 51 7.714 17.487 -0.177 362 H GLY 52 H GLY 52 4.158 17.251 3.021 363 HA2 GLY 52 1HA GLY 52 2.004 18.101 2.950 364 HA3 GLY 52 2HA GLY 52 2.681 19.705 2.710 365 H ALA 53 H ALA 53 3.533 17.003 0.668 366 HA ALA 53 HA ALA 53 1.991 18.243 -1.518 367 HB1 ALA 53 1HB ALA 53 3.755 18.134 -2.914 368 HB2 ALA 53 2HB ALA 53 4.684 18.117 -1.415 369 HB3 ALA 53 3HB ALA 53 4.325 16.604 -2.247 370 H VAL 54 H VAL 54 0.448 17.014 -2.358 371 HA VAL 54 HA VAL 54 0.236 14.228 -1.621 372 HB VAL 54 HB VAL 54 -1.554 15.928 -3.364 373 HG11 VAL 54 1HG1 VAL 54 -2.105 13.797 -4.030 374 HG12 VAL 54 2HG1 VAL 54 -1.697 13.086 -2.467 375 HG13 VAL 54 3HG1 VAL 54 -3.187 14.011 -2.654 376 HG21 VAL 54 1HG2 VAL 54 -1.286 15.592 -0.476 377 HG22 VAL 54 2HG2 VAL 54 -2.103 16.853 -1.399 378 HG23 VAL 54 3HG2 VAL 54 -2.927 15.330 -1.068 379 H GLU 55 H GLU 55 1.530 12.857 -2.689 380 HA GLU 55 HA GLU 55 2.024 13.234 -5.538 381 HB2 GLU 55 1HB GLU 55 3.278 11.624 -3.364 382 HB3 GLU 55 2HB GLU 55 3.438 11.047 -5.017 383 HG2 GLU 55 1HG GLU 55 4.393 13.234 -5.649 384 HG3 GLU 55 2HG GLU 55 4.316 13.722 -3.957 385 H GLU 56 H GLU 56 1.905 11.324 -6.980 386 HA GLU 56 HA GLU 56 -0.442 9.672 -6.313 387 HB2 GLU 56 1HB GLU 56 -0.519 9.499 -8.934 388 HB3 GLU 56 2HB GLU 56 -1.194 10.898 -8.110 389 HG2 GLU 56 1HG GLU 56 0.714 12.222 -8.628 390 HG3 GLU 56 2HG GLU 56 1.594 10.818 -9.230 391 H CYS 57 H CYS 57 -0.501 7.517 -7.243 392 HA CYS 57 HA CYS 57 2.199 6.365 -7.456 393 HB2 CYS 57 1HB CYS 57 -0.274 4.774 -6.834 394 HB3 CYS 57 2HB CYS 57 1.403 4.393 -6.464 395 HG CYS 57 HG CYS 57 1.222 5.170 -4.034 396 H TYR 58 H TYR 58 1.823 3.992 -8.568 397 HA TYR 58 HA TYR 58 0.520 4.548 -11.152 398 HB2 TYR 58 1HB TYR 58 3.024 4.605 -11.239 399 HB3 TYR 58 2HB TYR 58 3.032 2.915 -10.747 400 HD1 TYR 58 1HD TYR 58 1.934 1.212 -12.264 401 HD2 TYR 58 2HD TYR 58 2.722 5.208 -13.495 402 HE1 TYR 58 1HE TYR 58 1.722 0.523 -14.615 403 HE2 TYR 58 2HE TYR 58 2.512 4.530 -15.849 404 HH TYR 58 HH TYR 58 1.764 2.867 -17.227 405 H VAL 59 H VAL 59 -1.300 3.369 -11.073 406 HA VAL 59 HA VAL 59 -1.025 0.493 -10.503 407 HB VAL 59 HB VAL 59 -2.206 1.196 -8.624 408 HG11 VAL 59 1HG1 VAL 59 -4.033 2.925 -10.272 409 HG12 VAL 59 2HG1 VAL 59 -3.818 2.915 -8.520 410 HG13 VAL 59 3HG1 VAL 59 -2.536 3.531 -9.563 411 HG21 VAL 59 1HG2 VAL 59 -4.329 0.208 -8.811 412 HG22 VAL 59 2HG2 VAL 59 -4.496 0.682 -10.501 413 HG23 VAL 59 3HG2 VAL 59 -3.353 -0.582 -10.050 414 H SER 60 H SER 60 -1.430 -0.645 -12.270 415 HA SER 60 HA SER 60 -2.709 0.468 -14.560 416 HB2 SER 60 1HB SER 60 -1.570 -2.205 -13.846 417 HB3 SER 60 2HB SER 60 -2.616 -2.077 -15.260 418 HG SER 60 HG SER 60 -1.096 -0.160 -15.699 419 H GLU 61 H GLU 61 -4.434 -1.046 -15.683 420 HA GLU 61 HA GLU 61 -6.783 -0.857 -14.071 421 HB2 GLU 61 1HB GLU 61 -6.454 -0.621 -16.674 422 HB3 GLU 61 2HB GLU 61 -6.746 -2.354 -16.658 423 HG2 GLU 61 1HG GLU 61 -8.891 -1.998 -15.567 424 HG3 GLU 61 2HG GLU 61 -8.598 -0.260 -15.542 425 H LEU 62 H LEU 62 -8.221 -2.560 -13.505 426 HA LEU 62 HA LEU 62 -7.133 -4.694 -12.173 427 HB2 LEU 62 1HB LEU 62 -9.332 -4.228 -11.634 428 HB3 LEU 62 2HB LEU 62 -9.842 -4.183 -13.321 429 HG LEU 62 HG LEU 62 -9.468 -6.700 -13.340 430 HD11 LEU 62 1HD1 LEU 62 -8.176 -7.115 -11.440 431 HD12 LEU 62 2HD1 LEU 62 -9.786 -7.682 -10.999 432 HD13 LEU 62 3HD1 LEU 62 -9.208 -6.125 -10.408 433 HD21 LEU 62 1HD2 LEU 62 -11.612 -6.009 -11.392 434 HD22 LEU 62 2HD2 LEU 62 -11.669 -7.057 -12.810 435 HD23 LEU 62 3HD2 LEU 62 -11.668 -5.304 -13.008 436 H ASP 63 H ASP 63 -5.999 -6.373 -12.858 437 HA ASP 63 HA ASP 63 -6.453 -7.386 -15.579 438 HB2 ASP 63 1HB ASP 63 -4.201 -8.615 -14.973 439 HB3 ASP 63 2HB ASP 63 -4.194 -6.929 -15.481 440 H SER 64 H SER 64 -5.254 -8.888 -12.581 441 HA SER 64 HA SER 64 -7.237 -11.032 -12.971 442 HB2 SER 64 1HB SER 64 -4.296 -11.187 -12.519 443 HB3 SER 64 2HB SER 64 -5.306 -12.402 -11.735 444 HG SER 64 HG SER 64 -4.681 -13.109 -13.790 445 H ASP 65 H ASP 65 -8.524 -9.724 -11.480 446 HA ASP 65 HA ASP 65 -9.216 -9.011 -9.404 447 HB2 ASP 65 1HB ASP 65 -8.330 -11.861 -8.940 448 HB3 ASP 65 2HB ASP 65 -9.235 -10.929 -7.750 449 H LYS 66 H LYS 66 -6.614 -8.103 -9.915 450 HA LYS 66 HA LYS 66 -5.680 -7.755 -7.194 451 HB2 LYS 66 1HB LYS 66 -4.009 -9.064 -9.333 452 HB3 LYS 66 2HB LYS 66 -3.283 -8.240 -7.958 453 HG2 LYS 66 1HG LYS 66 -4.331 -9.763 -6.424 454 HG3 LYS 66 2HG LYS 66 -5.231 -10.525 -7.737 455 HD2 LYS 66 1HD LYS 66 -3.481 -11.999 -7.476 456 HD3 LYS 66 2HD LYS 66 -2.848 -10.936 -8.735 457 HE2 LYS 66 1HE LYS 66 -1.118 -11.253 -7.129 458 HE3 LYS 66 2HE LYS 66 -1.728 -9.611 -6.932 459 HZ1 LYS 66 1HZ LYS 66 -3.262 -11.089 -5.237 460 HZ2 LYS 66 2HZ LYS 66 -1.940 -10.132 -4.794 461 HZ3 LYS 66 3HZ LYS 66 -1.730 -11.787 -5.072 462 H HIS 67 H HIS 67 -4.189 -5.982 -6.967 463 HA HIS 67 HA HIS 67 -4.018 -4.222 -9.315 464 HB2 HIS 67 1HB HIS 67 -5.126 -3.592 -6.600 465 HB3 HIS 67 2HB HIS 67 -4.366 -2.322 -7.555 466 HD1 HIS 67 1HD HIS 67 -5.576 -1.609 -9.751 467 HD2 HIS 67 2HD HIS 67 -7.640 -4.398 -7.466 468 HE1 HIS 67 1HE HIS 67 -7.915 -1.636 -10.674 469 HE2 HIS 67 2HE HIS 67 -9.167 -3.268 -9.221 470 H THR 68 H THR 68 -1.991 -3.658 -9.706 471 HA THR 68 HA THR 68 0.016 -3.980 -7.610 472 HB THR 68 HB THR 68 0.464 -3.344 -10.530 473 HG1 THR 68 1HG THR 68 0.389 -5.452 -10.912 474 HG21 THR 68 1HG2 THR 68 2.198 -3.579 -8.233 475 HG22 THR 68 2HG2 THR 68 2.579 -3.067 -9.878 476 HG23 THR 68 3HG2 THR 68 2.608 -4.780 -9.458 477 H ILE 69 H ILE 69 1.229 -2.344 -6.785 478 HA ILE 69 HA ILE 69 0.621 0.379 -7.738 479 HB ILE 69 HB ILE 69 1.450 -0.094 -4.910 480 HG12 ILE 69 1HG1 ILE 69 -0.338 -1.656 -5.045 481 HG13 ILE 69 2HG1 ILE 69 -1.024 -0.197 -4.340 482 HG21 ILE 69 1HG2 ILE 69 -0.325 1.928 -6.270 483 HG22 ILE 69 2HG2 ILE 69 0.052 1.904 -4.549 484 HG23 ILE 69 3HG2 ILE 69 1.334 2.180 -5.728 485 HD11 ILE 69 1HD1 ILE 69 -1.320 -0.008 -7.143 486 HD12 ILE 69 2HD1 ILE 69 -1.853 -1.615 -6.647 487 HD13 ILE 69 3HD1 ILE 69 -2.570 -0.182 -5.912 488 H ARG 70 H ARG 70 2.298 1.900 -7.710 489 HA ARG 70 HA ARG 70 4.967 1.042 -6.949 490 HB2 ARG 70 1HB ARG 70 4.456 0.337 -9.382 491 HB3 ARG 70 2HB ARG 70 4.563 2.053 -9.750 492 HG2 ARG 70 1HG ARG 70 6.829 2.153 -9.197 493 HG3 ARG 70 2HG ARG 70 6.771 0.624 -8.317 494 HD2 ARG 70 1HD ARG 70 6.173 0.727 -11.249 495 HD3 ARG 70 2HD ARG 70 7.839 0.686 -10.673 496 HE ARG 70 HE ARG 70 6.384 -1.369 -9.429 497 HH11 ARG 70 1HH1 ARG 70 7.635 -0.478 -12.553 498 HH12 ARG 70 2HH1 ARG 70 7.816 -2.114 -13.092 499 HH21 ARG 70 1HH2 ARG 70 6.617 -3.528 -10.128 500 HH22 ARG 70 2HH2 ARG 70 7.235 -3.848 -11.712 501 H PHE 71 H PHE 71 5.905 2.680 -5.936 502 HA PHE 71 HA PHE 71 5.753 5.371 -6.955 503 HB2 PHE 71 1HB PHE 71 4.927 6.275 -4.730 504 HB3 PHE 71 2HB PHE 71 3.721 5.471 -5.728 505 HD1 PHE 71 1HD PHE 71 6.007 4.935 -2.857 506 HD2 PHE 71 2HD PHE 71 2.477 3.693 -4.885 507 HE1 PHE 71 1HE PHE 71 5.458 3.442 -0.981 508 HE2 PHE 71 2HE PHE 71 1.922 2.198 -3.012 509 HZ PHE 71 HZ PHE 71 3.413 2.071 -1.055 510 H ILE 72 H ILE 72 7.433 6.644 -6.260 511 HA ILE 72 HA ILE 72 9.335 5.360 -4.410 512 HB ILE 72 HB ILE 72 9.840 7.054 -6.846 513 HG12 ILE 72 1HG1 ILE 72 11.122 4.437 -6.095 514 HG13 ILE 72 2HG1 ILE 72 9.557 4.488 -6.899 515 HG21 ILE 72 1HG2 ILE 72 11.526 6.647 -4.443 516 HG22 ILE 72 2HG2 ILE 72 12.320 6.586 -6.015 517 HG23 ILE 72 3HG2 ILE 72 11.423 8.027 -5.536 518 HD11 ILE 72 1HD1 ILE 72 12.049 5.768 -7.990 519 HD12 ILE 72 2HD1 ILE 72 11.489 4.151 -8.419 520 HD13 ILE 72 3HD1 ILE 72 10.502 5.559 -8.809 521 HA PRO 73 HA PRO 73 8.583 8.913 -1.849 522 HB2 PRO 73 1HB PRO 73 10.454 8.327 0.028 523 HB3 PRO 73 2HB PRO 73 8.898 7.495 -0.068 524 HG2 PRO 73 1HG PRO 73 11.579 6.620 -1.072 525 HG3 PRO 73 2HG PRO 73 10.339 5.677 -0.223 526 HD2 PRO 73 1HD PRO 73 10.680 5.554 -2.907 527 HD3 PRO 73 2HD PRO 73 9.093 5.359 -2.136 528 H HIS 74 H HIS 74 9.429 10.926 -1.731 529 HA HIS 74 HA HIS 74 11.970 11.395 -3.079 530 HB2 HIS 74 1HB HIS 74 9.668 13.154 -2.279 531 HB3 HIS 74 2HB HIS 74 11.218 13.852 -2.740 532 HD1 HIS 74 1HD HIS 74 9.664 10.859 -4.432 533 HD2 HIS 74 2HD HIS 74 10.433 14.875 -5.170 534 HE1 HIS 74 1HE HIS 74 9.135 11.209 -6.865 535 HE2 HIS 74 2HE HIS 74 9.689 13.625 -7.309 536 H GLU 75 H GLU 75 10.383 12.391 -0.045 537 HA GLU 75 HA GLU 75 13.063 12.815 1.104 538 HB2 GLU 75 1HB GLU 75 11.979 14.894 1.178 539 HB3 GLU 75 2HB GLU 75 10.432 14.175 1.602 540 HG2 GLU 75 1HG GLU 75 11.373 15.348 3.493 541 HG3 GLU 75 2HG GLU 75 11.295 13.617 3.817 542 H ASN 76 H ASN 76 13.684 11.522 2.705 543 HA ASN 76 HA ASN 76 12.487 9.230 3.497 544 HB2 ASN 76 1HB ASN 76 14.445 11.046 4.812 545 HB3 ASN 76 2HB ASN 76 13.735 9.773 5.801 546 HD21 ASN 76 1HD2 ASN 76 13.547 7.657 4.247 547 HD22 ASN 76 2HD2 ASN 76 15.086 7.179 3.622 548 H GLY 77 H GLY 77 11.345 8.549 5.412 549 HA2 GLY 77 1HA GLY 77 10.205 9.468 7.481 550 HA3 GLY 77 2HA GLY 77 9.492 10.636 6.378 551 H VAL 78 H VAL 78 7.974 8.954 8.020 552 HA VAL 78 HA VAL 78 7.055 6.679 6.538 553 HB VAL 78 HB VAL 78 5.814 8.090 8.904 554 HG11 VAL 78 1HG1 VAL 78 5.216 5.303 7.947 555 HG12 VAL 78 2HG1 VAL 78 4.346 6.260 9.147 556 HG13 VAL 78 3HG1 VAL 78 4.271 6.703 7.441 557 HG21 VAL 78 1HG2 VAL 78 7.174 5.438 9.035 558 HG22 VAL 78 2HG2 VAL 78 8.149 6.908 9.025 559 HG23 VAL 78 3HG2 VAL 78 6.952 6.653 10.295 560 H HIS 79 H HIS 79 5.844 6.808 4.776 561 HA HIS 79 HA HIS 79 4.216 9.179 4.294 562 HB2 HIS 79 1HB HIS 79 4.884 6.829 2.511 563 HB3 HIS 79 2HB HIS 79 3.931 8.226 2.018 564 HD1 HIS 79 1HD HIS 79 6.978 8.698 4.130 565 HD2 HIS 79 2HD HIS 79 5.855 9.009 0.142 566 HE1 HIS 79 1HE HIS 79 8.870 9.900 2.991 567 HE2 HIS 79 2HE HIS 79 8.130 10.153 0.596 568 H SER 80 H SER 80 1.999 9.017 3.626 569 HA SER 80 HA SER 80 0.618 6.789 4.952 570 HB2 SER 80 1HB SER 80 -0.036 9.659 4.498 571 HB3 SER 80 2HB SER 80 -1.378 8.515 4.535 572 HG SER 80 HG SER 80 0.588 8.870 6.554 573 H ILE 81 H ILE 81 0.092 5.208 3.595 574 HA ILE 81 HA ILE 81 -0.483 5.774 0.803 575 HB ILE 81 HB ILE 81 -0.659 3.064 2.090 576 HG12 ILE 81 1HG1 ILE 81 1.494 4.014 2.758 577 HG13 ILE 81 2HG1 ILE 81 1.727 2.746 1.560 578 HG21 ILE 81 1HG2 ILE 81 -1.457 3.016 -0.112 579 HG22 ILE 81 2HG2 ILE 81 -0.191 4.099 -0.687 580 HG23 ILE 81 3HG2 ILE 81 0.206 2.443 -0.231 581 HD11 ILE 81 1HD1 ILE 81 1.852 5.714 1.104 582 HD12 ILE 81 2HD1 ILE 81 3.190 4.565 1.061 583 HD13 ILE 81 3HD1 ILE 81 1.933 4.502 -0.174 584 H ASP 82 H ASP 82 -2.467 6.530 0.405 585 HA ASP 82 HA ASP 82 -4.748 5.671 1.965 586 HB2 ASP 82 1HB ASP 82 -4.262 7.720 -0.154 587 HB3 ASP 82 2HB ASP 82 -5.913 7.174 0.125 588 H VAL 83 H VAL 83 -5.593 3.738 1.546 589 HA VAL 83 HA VAL 83 -5.800 2.870 -1.261 590 HB VAL 83 HB VAL 83 -5.850 1.169 1.236 591 HG11 VAL 83 1HG1 VAL 83 -7.203 0.333 -0.693 592 HG12 VAL 83 2HG1 VAL 83 -5.716 0.285 -1.642 593 HG13 VAL 83 3HG1 VAL 83 -5.883 -0.732 -0.210 594 HG21 VAL 83 1HG2 VAL 83 -3.631 1.300 1.161 595 HG22 VAL 83 2HG2 VAL 83 -3.693 0.452 -0.384 596 HG23 VAL 83 3HG2 VAL 83 -3.678 2.215 -0.346 597 H LYS 84 H LYS 84 -7.753 3.512 -1.966 598 HA LYS 84 HA LYS 84 -10.092 3.007 -0.256 599 HB2 LYS 84 1HB LYS 84 -9.521 4.982 -2.430 600 HB3 LYS 84 2HB LYS 84 -11.185 4.500 -2.127 601 HG2 LYS 84 1HG LYS 84 -10.507 5.072 0.367 602 HG3 LYS 84 2HG LYS 84 -9.334 6.103 -0.456 603 HD2 LYS 84 1HD LYS 84 -12.202 6.159 -1.295 604 HD3 LYS 84 2HD LYS 84 -11.699 7.031 0.155 605 HE2 LYS 84 1HE LYS 84 -10.208 8.395 -1.071 606 HE3 LYS 84 2HE LYS 84 -10.316 7.362 -2.495 607 HZ1 LYS 84 1HZ LYS 84 -11.602 9.410 -2.734 608 HZ2 LYS 84 2HZ LYS 84 -12.544 8.989 -1.395 609 HZ3 LYS 84 3HZ LYS 84 -12.598 8.044 -2.797 610 H PHE 85 H PHE 85 -11.998 2.098 -1.210 611 HA PHE 85 HA PHE 85 -11.630 0.710 -3.758 612 HB2 PHE 85 1HB PHE 85 -10.991 -0.780 -1.775 613 HB3 PHE 85 2HB PHE 85 -12.700 -0.760 -1.355 614 HD1 PHE 85 1HD PHE 85 -10.651 -1.253 -4.439 615 HD2 PHE 85 2HD PHE 85 -13.881 -2.601 -2.016 616 HE1 PHE 85 1HE PHE 85 -11.053 -3.104 -6.010 617 HE2 PHE 85 2HE PHE 85 -14.287 -4.454 -3.582 618 HZ PHE 85 HZ PHE 85 -12.872 -4.708 -5.582 619 H ASN 86 H ASN 86 -13.262 1.433 -4.953 620 HA ASN 86 HA ASN 86 -15.327 2.161 -5.589 621 HB2 ASN 86 1HB ASN 86 -15.590 -0.376 -4.915 622 HB3 ASN 86 2HB ASN 86 -16.576 0.290 -3.617 623 HD21 ASN 86 1HD2 ASN 86 -16.392 -0.479 -6.934 624 HD22 ASN 86 2HD2 ASN 86 -17.975 0.048 -7.381 625 H GLY 87 H GLY 87 -14.233 3.844 -3.731 626 HA2 GLY 87 1HA GLY 87 -14.878 5.634 -2.436 627 HA3 GLY 87 2HA GLY 87 -16.546 5.146 -2.702 628 H ALA 88 H ALA 88 -13.856 3.435 -1.131 629 HA ALA 88 HA ALA 88 -15.080 3.757 1.476 630 HB1 ALA 88 1HB ALA 88 -14.617 0.925 0.696 631 HB2 ALA 88 2HB ALA 88 -15.744 1.607 1.869 632 HB3 ALA 88 3HB ALA 88 -16.092 1.718 0.144 633 H HIS 89 H HIS 89 -13.627 3.580 3.117 634 HA HIS 89 HA HIS 89 -10.839 3.256 2.353 635 HB2 HIS 89 1HB HIS 89 -12.291 4.464 4.652 636 HB3 HIS 89 2HB HIS 89 -10.667 3.854 4.953 637 HD1 HIS 89 1HD HIS 89 -8.745 5.281 4.191 638 HD2 HIS 89 2HD HIS 89 -12.394 6.570 2.680 639 HE1 HIS 89 1HE HIS 89 -8.273 7.491 3.089 640 HE2 HIS 89 2HE HIS 89 -10.511 8.292 2.256 641 H ILE 90 H ILE 90 -9.716 1.456 2.675 642 HA ILE 90 HA ILE 90 -10.900 -0.852 3.837 643 HB ILE 90 HB ILE 90 -8.822 -1.980 3.388 644 HG12 ILE 90 1HG1 ILE 90 -7.516 0.557 2.480 645 HG13 ILE 90 2HG1 ILE 90 -7.499 0.148 4.192 646 HG21 ILE 90 1HG2 ILE 90 -9.028 -1.950 1.140 647 HG22 ILE 90 2HG2 ILE 90 -10.406 -0.911 1.501 648 HG23 ILE 90 3HG2 ILE 90 -8.861 -0.198 1.039 649 HD11 ILE 90 1HD1 ILE 90 -5.712 -1.091 3.808 650 HD12 ILE 90 2HD1 ILE 90 -6.717 -2.174 2.844 651 HD13 ILE 90 3HD1 ILE 90 -5.859 -0.843 2.068 652 HA PRO 91 HA PRO 91 -9.750 -0.491 8.062 653 HB2 PRO 91 1HB PRO 91 -9.446 -3.108 8.717 654 HB3 PRO 91 2HB PRO 91 -11.025 -2.366 8.433 655 HG2 PRO 91 1HG PRO 91 -9.353 -4.028 6.588 656 HG3 PRO 91 2HG PRO 91 -11.102 -4.092 6.876 657 HD2 PRO 91 1HD PRO 91 -10.024 -2.852 4.723 658 HD3 PRO 91 2HD PRO 91 -11.522 -2.294 5.496 659 H GLY 92 H GLY 92 -7.768 0.464 8.260 660 HA2 GLY 92 1HA GLY 92 -5.606 -0.279 9.347 661 HA3 GLY 92 2HA GLY 92 -5.403 -1.269 7.910 662 H SER 93 H SER 93 -6.696 1.032 6.358 663 HA SER 93 HA SER 93 -4.192 2.365 5.771 664 HB2 SER 93 1HB SER 93 -5.196 1.949 3.758 665 HB3 SER 93 2HB SER 93 -6.824 2.064 4.427 666 HG SER 93 HG SER 93 -6.724 4.258 4.303 667 HA PRO 94 HA PRO 94 -3.818 4.290 4.433 668 HB2 PRO 94 1HB PRO 94 -1.926 6.081 5.196 669 HB3 PRO 94 2HB PRO 94 -3.418 6.552 4.374 670 HG2 PRO 94 1HG PRO 94 -2.753 6.643 7.291 671 HG3 PRO 94 2HG PRO 94 -3.587 7.851 6.295 672 HD2 PRO 94 1HD PRO 94 -4.911 6.139 7.923 673 HD3 PRO 94 2HD PRO 94 -5.598 6.729 6.396 674 H PHE 95 H PHE 95 -2.055 2.996 4.205 675 HA PHE 95 HA PHE 95 -1.116 1.587 6.517 676 HB2 PHE 95 1HB PHE 95 -0.488 1.431 3.577 677 HB3 PHE 95 2HB PHE 95 0.412 0.487 4.760 678 HD1 PHE 95 1HD PHE 95 -1.290 -0.696 6.541 679 HD2 PHE 95 2HD PHE 95 -2.139 0.292 2.489 680 HE1 PHE 95 1HE PHE 95 -3.036 -2.429 6.488 681 HE2 PHE 95 2HE PHE 95 -3.887 -1.439 2.430 682 HZ PHE 95 HZ PHE 95 -4.338 -2.801 4.431 683 H LYS 96 H LYS 96 0.186 2.692 7.858 684 HA LYS 96 HA LYS 96 2.060 4.650 7.024 685 HB2 LYS 96 1HB LYS 96 1.771 3.133 9.620 686 HB3 LYS 96 2HB LYS 96 2.915 4.447 9.380 687 HG2 LYS 96 1HG LYS 96 -0.047 4.760 8.977 688 HG3 LYS 96 2HG LYS 96 0.761 5.059 10.518 689 HD2 LYS 96 1HD LYS 96 2.060 6.824 9.583 690 HD3 LYS 96 2HD LYS 96 1.551 6.411 7.943 691 HE2 LYS 96 1HE LYS 96 0.248 8.269 8.486 692 HE3 LYS 96 2HE LYS 96 -0.827 6.901 8.770 693 HZ1 LYS 96 1HZ LYS 96 -0.454 7.058 11.101 694 HZ2 LYS 96 2HZ LYS 96 -0.849 8.608 10.550 695 HZ3 LYS 96 3HZ LYS 96 0.760 8.221 10.902 696 H ILE 97 H ILE 97 3.655 4.041 5.678 697 HA ILE 97 HA ILE 97 5.193 1.623 6.327 698 HB ILE 97 HB ILE 97 6.141 1.866 4.032 699 HG12 ILE 97 1HG1 ILE 97 3.937 3.875 3.574 700 HG13 ILE 97 2HG1 ILE 97 5.591 4.356 3.935 701 HG21 ILE 97 1HG2 ILE 97 3.274 1.369 4.613 702 HG22 ILE 97 2HG2 ILE 97 3.771 1.437 2.923 703 HG23 ILE 97 3HG2 ILE 97 4.516 0.270 4.015 704 HD11 ILE 97 1HD1 ILE 97 5.501 4.447 1.630 705 HD12 ILE 97 2HD1 ILE 97 6.216 2.862 1.930 706 HD13 ILE 97 3HD1 ILE 97 4.508 2.995 1.509 707 H ARG 98 H ARG 98 7.290 1.722 6.901 708 HA ARG 98 HA ARG 98 8.422 4.346 7.415 709 HB2 ARG 98 1HB ARG 98 8.484 2.444 9.079 710 HB3 ARG 98 2HB ARG 98 9.645 1.654 8.020 711 HG2 ARG 98 1HG ARG 98 10.952 3.898 8.245 712 HG3 ARG 98 2HG ARG 98 9.966 4.097 9.695 713 HD2 ARG 98 1HD ARG 98 10.748 1.636 10.173 714 HD3 ARG 98 2HD ARG 98 12.062 2.069 9.081 715 HE ARG 98 HE ARG 98 12.947 3.376 10.732 716 HH11 ARG 98 1HH1 ARG 98 9.621 2.688 11.497 717 HH12 ARG 98 2HH1 ARG 98 9.700 3.403 13.073 718 HH21 ARG 98 1HH2 ARG 98 13.063 4.320 12.806 719 HH22 ARG 98 2HH2 ARG 98 11.658 4.332 13.816 720 H VAL 99 H VAL 99 9.740 5.338 6.050 721 HA VAL 99 HA VAL 99 11.226 3.709 4.092 722 HB VAL 99 HB VAL 99 10.255 6.554 3.785 723 HG11 VAL 99 1HG1 VAL 99 11.269 4.998 1.484 724 HG12 VAL 99 2HG1 VAL 99 11.398 6.722 1.835 725 HG13 VAL 99 3HG1 VAL 99 12.467 5.575 2.642 726 HG21 VAL 99 1HG2 VAL 99 8.371 5.737 2.938 727 HG22 VAL 99 2HG2 VAL 99 9.272 4.718 1.815 728 HG23 VAL 99 3HG2 VAL 99 8.887 4.124 3.431 729 H GLY 100 H GLY 100 13.250 3.518 4.845 730 HA2 GLY 100 1HA GLY 100 15.129 5.496 4.756 731 HA3 GLY 100 2HA GLY 100 14.516 5.576 6.401 732 H GLU 101 H GLU 101 17.165 4.765 5.202 733 HA GLU 101 HA GLU 101 17.442 1.964 5.710 734 HB2 GLU 101 1HB GLU 101 19.853 2.377 5.452 735 HB3 GLU 101 2HB GLU 101 18.924 3.085 4.139 736 HG2 GLU 101 1HG GLU 101 19.213 5.267 4.972 737 HG3 GLU 101 2HG GLU 101 19.797 4.677 6.527 738 H GLN 102 H GLN 102 18.245 0.923 7.488 739 HA GLN 102 HA GLN 102 18.412 2.537 9.938 740 HB2 GLN 102 1HB GLN 102 17.619 -0.305 9.400 741 HB3 GLN 102 2HB GLN 102 18.164 0.172 11.003 742 HG2 GLN 102 1HG GLN 102 15.943 1.598 9.577 743 HG3 GLN 102 2HG GLN 102 15.666 0.173 10.578 744 HE21 GLN 102 1HE2 GLN 102 15.510 0.411 12.719 745 HE22 GLN 102 2HE2 GLN 102 15.777 1.888 13.574 746 H SER 103 H SER 103 20.417 3.002 10.538 747 HA SER 103 HA SER 103 22.418 0.863 10.540 748 HB2 SER 103 1HB SER 103 22.722 2.287 8.486 749 HB3 SER 103 2HB SER 103 23.042 3.654 9.554 750 HG SER 103 HG SER 103 24.823 2.519 10.380 751 H GLN 104 H GLN 104 23.112 0.653 12.552 752 HA GLN 104 HA GLN 104 22.574 2.063 14.753 753 HB2 GLN 104 1HB GLN 104 24.854 1.372 15.644 754 HB3 GLN 104 2HB GLN 104 23.833 0.084 15.019 755 HG2 GLN 104 1HG GLN 104 25.837 1.383 13.233 756 HG3 GLN 104 2HG GLN 104 26.353 0.170 14.404 757 HE21 GLN 104 1HE2 GLN 104 24.884 -1.837 14.381 758 HE22 GLN 104 2HE2 GLN 104 24.525 -2.475 12.816 759 H ALA 105 H ALA 105 23.487 3.753 15.975 760 HA ALA 105 HA ALA 105 25.468 5.459 14.680 761 HB1 ALA 105 1HB ALA 105 22.675 6.352 15.354 762 HB2 ALA 105 2HB ALA 105 24.013 7.473 15.099 763 HB3 ALA 105 3HB ALA 105 23.490 6.412 13.791 764 H GLY 106 H GLY 106 26.883 6.214 16.123 765 HA2 GLY 106 1HA GLY 106 27.104 7.461 18.272 766 HA3 GLY 106 2HA GLY 106 26.071 6.220 18.965 767 H SER 107 H SER 107 26.911 4.008 19.006 768 HA SER 107 HA SER 107 29.855 3.930 19.070 769 HB2 SER 107 1HB SER 107 29.643 2.386 21.039 770 HB3 SER 107 2HB SER 107 29.113 4.036 21.361 771 HG SER 107 HG SER 107 27.629 1.686 21.178 772 H GLY 108 H GLY 108 27.011 1.775 19.243 773 HA2 GLY 108 1HA GLY 108 27.828 0.319 16.915 774 HA3 GLY 108 2HA GLY 108 28.160 -0.569 18.395 775 HA PRO 109 HA PRO 109 23.874 -1.656 17.061 776 HB2 PRO 109 1HB PRO 109 24.141 -4.305 17.594 777 HB3 PRO 109 2HB PRO 109 24.627 -3.581 16.056 778 HG2 PRO 109 1HG PRO 109 26.311 -4.313 18.421 779 HG3 PRO 109 2HG PRO 109 26.637 -4.560 16.695 780 HD2 PRO 109 1HD PRO 109 27.739 -2.531 18.109 781 HD3 PRO 109 2HD PRO 109 27.336 -2.386 16.386 782 H SER 110 H SER 110 22.640 -0.861 18.680 783 HA SER 110 HA SER 110 23.067 -1.485 21.433 784 HB2 SER 110 1HB SER 110 22.089 0.651 20.834 785 HB3 SER 110 2HB SER 110 20.743 -0.151 20.023 786 HG SER 110 HG SER 110 21.235 -0.718 22.723 787 H SER 111 H SER 111 22.054 -2.930 22.736 788 HA SER 111 HA SER 111 20.164 -4.782 21.437 789 HB2 SER 111 1HB SER 111 22.414 -5.747 22.023 790 HB3 SER 111 2HB SER 111 22.037 -5.443 23.719 791 HG SER 111 HG SER 111 20.196 -6.869 22.165 792 H GLY 112 H GLY 112 18.175 -4.305 22.124 793 HA2 GLY 112 1HA GLY 112 16.485 -4.495 23.769 794 HA3 GLY 112 2HA GLY 112 17.701 -4.236 25.012 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -21.215 -18.081 -10.842 2 HA2 GLY 1 1HA GLY 1 -23.199 -17.724 -12.318 3 HA3 GLY 1 2HA GLY 1 -24.163 -17.857 -10.854 4 H SER 2 H SER 2 -24.072 -16.170 -9.299 5 HA SER 2 HA SER 2 -23.202 -13.608 -10.457 6 HB2 SER 2 1HB SER 2 -25.671 -13.964 -9.988 7 HB3 SER 2 2HB SER 2 -25.258 -13.981 -8.274 8 HG SER 2 HG SER 2 -25.897 -11.895 -9.104 9 H SER 3 H SER 3 -22.056 -12.139 -9.221 10 HA SER 3 HA SER 3 -20.152 -13.070 -7.467 11 HB2 SER 3 1HB SER 3 -21.307 -10.319 -7.877 12 HB3 SER 3 2HB SER 3 -20.021 -10.607 -6.705 13 HG SER 3 HG SER 3 -19.062 -11.750 -8.718 14 H GLY 4 H GLY 4 -23.115 -11.285 -6.584 15 HA2 GLY 4 1HA GLY 4 -24.204 -12.653 -4.621 16 HA3 GLY 4 2HA GLY 4 -22.746 -12.115 -3.801 17 H SER 5 H SER 5 -25.335 -11.478 -2.932 18 HA SER 5 HA SER 5 -25.520 -8.607 -3.563 19 HB2 SER 5 1HB SER 5 -27.864 -8.759 -2.744 20 HB3 SER 5 2HB SER 5 -27.562 -9.800 -4.135 21 HG SER 5 HG SER 5 -27.710 -10.565 -1.408 22 H SER 6 H SER 6 -25.592 -10.986 -0.950 23 HA SER 6 HA SER 6 -25.901 -9.197 1.189 24 HB2 SER 6 1HB SER 6 -24.563 -11.908 1.071 25 HB3 SER 6 2HB SER 6 -24.892 -11.037 2.569 26 HG SER 6 HG SER 6 -26.768 -11.967 2.455 27 H GLY 7 H GLY 7 -24.585 -7.396 0.908 28 HA2 GLY 7 1HA GLY 7 -22.342 -6.992 2.222 29 HA3 GLY 7 2HA GLY 7 -21.689 -7.810 0.810 30 H SER 8 H SER 8 -22.202 -4.861 2.123 31 HA SER 8 HA SER 8 -23.001 -3.423 -0.242 32 HB2 SER 8 1HB SER 8 -23.390 -2.749 2.231 33 HB3 SER 8 2HB SER 8 -21.728 -2.161 2.176 34 HG SER 8 HG SER 8 -22.307 -0.754 0.537 35 H ASP 9 H ASP 9 -19.996 -3.790 1.619 36 HA ASP 9 HA ASP 9 -18.479 -3.238 -0.816 37 HB2 ASP 9 1HB ASP 9 -16.947 -1.720 0.442 38 HB3 ASP 9 2HB ASP 9 -18.570 -1.068 0.231 39 H ASP 10 H ASP 10 -17.164 -4.904 -1.081 40 HA ASP 10 HA ASP 10 -16.416 -6.582 1.151 41 HB2 ASP 10 1HB ASP 10 -16.094 -6.734 -1.824 42 HB3 ASP 10 2HB ASP 10 -15.107 -7.764 -0.790 43 H ALA 11 H ALA 11 -15.387 -3.954 1.323 44 HA ALA 11 HA ALA 11 -12.631 -3.966 0.496 45 HB1 ALA 11 1HB ALA 11 -14.486 -2.065 1.695 46 HB2 ALA 11 2HB ALA 11 -12.853 -1.957 2.354 47 HB3 ALA 11 3HB ALA 11 -13.116 -1.789 0.618 48 H ARG 12 H ARG 12 -14.393 -5.141 3.178 49 HA ARG 12 HA ARG 12 -12.299 -4.989 5.118 50 HB2 ARG 12 1HB ARG 12 -13.721 -6.387 6.495 51 HB3 ARG 12 2HB ARG 12 -14.691 -5.135 5.731 52 HG2 ARG 12 1HG ARG 12 -15.708 -6.639 4.274 53 HG3 ARG 12 2HG ARG 12 -14.462 -7.864 4.523 54 HD2 ARG 12 1HD ARG 12 -16.127 -8.740 5.816 55 HD3 ARG 12 2HD ARG 12 -15.320 -7.728 7.014 56 HE ARG 12 HE ARG 12 -17.444 -6.393 5.610 57 HH11 ARG 12 1HH1 ARG 12 -16.634 -8.437 8.309 58 HH12 ARG 12 2HH1 ARG 12 -18.030 -7.992 9.233 59 HH21 ARG 12 1HH2 ARG 12 -19.287 -5.799 6.816 60 HH22 ARG 12 2HH2 ARG 12 -19.539 -6.492 8.382 61 H ARG 13 H ARG 13 -12.695 -6.849 2.383 62 HA ARG 13 HA ARG 13 -11.277 -9.166 3.479 63 HB2 ARG 13 1HB ARG 13 -12.553 -8.731 0.772 64 HB3 ARG 13 2HB ARG 13 -11.751 -10.211 1.281 65 HG2 ARG 13 1HG ARG 13 -13.441 -10.795 2.726 66 HG3 ARG 13 2HG ARG 13 -13.998 -9.130 2.913 67 HD2 ARG 13 1HD ARG 13 -15.225 -9.179 0.984 68 HD3 ARG 13 2HD ARG 13 -14.172 -10.368 0.218 69 HE ARG 13 HE ARG 13 -15.439 -12.052 1.141 70 HH11 ARG 13 1HH1 ARG 13 -16.313 -9.000 2.568 71 HH12 ARG 13 2HH1 ARG 13 -17.713 -9.628 3.372 72 HH21 ARG 13 1HH2 ARG 13 -17.279 -12.892 2.195 73 HH22 ARG 13 2HH2 ARG 13 -18.261 -11.843 3.160 74 H LEU 14 H LEU 14 -10.668 -6.265 1.887 75 HA LEU 14 HA LEU 14 -8.507 -7.060 0.216 76 HB2 LEU 14 1HB LEU 14 -8.982 -4.344 1.426 77 HB3 LEU 14 2HB LEU 14 -8.037 -4.721 -0.014 78 HG LEU 14 HG LEU 14 -11.008 -5.179 0.160 79 HD11 LEU 14 1HD1 LEU 14 -9.484 -2.738 -0.715 80 HD12 LEU 14 2HD1 LEU 14 -10.762 -2.850 0.494 81 HD13 LEU 14 3HD1 LEU 14 -11.143 -3.071 -1.213 82 HD21 LEU 14 1HD2 LEU 14 -8.967 -5.772 -1.764 83 HD22 LEU 14 2HD2 LEU 14 -10.122 -4.627 -2.447 84 HD23 LEU 14 3HD2 LEU 14 -10.685 -6.168 -1.800 85 H THR 15 H THR 15 -6.317 -7.028 0.575 86 HA THR 15 HA THR 15 -5.221 -6.123 3.085 87 HB THR 15 HB THR 15 -5.914 -8.246 3.896 88 HG1 THR 15 1HG THR 15 -3.223 -8.692 3.099 89 HG21 THR 15 1HG2 THR 15 -6.385 -9.311 1.738 90 HG22 THR 15 2HG2 THR 15 -5.400 -10.354 2.763 91 HG23 THR 15 3HG2 THR 15 -4.655 -9.465 1.434 92 H VAL 16 H VAL 16 -2.856 -6.349 3.157 93 HA VAL 16 HA VAL 16 -1.637 -6.738 0.509 94 HB VAL 16 HB VAL 16 -0.991 -4.443 2.365 95 HG11 VAL 16 1HG1 VAL 16 0.014 -5.058 -0.412 96 HG12 VAL 16 2HG1 VAL 16 0.448 -3.658 0.572 97 HG13 VAL 16 3HG1 VAL 16 0.929 -5.278 1.080 98 HG21 VAL 16 1HG2 VAL 16 -2.783 -3.470 1.454 99 HG22 VAL 16 2HG2 VAL 16 -1.843 -3.391 -0.036 100 HG23 VAL 16 3HG2 VAL 16 -2.953 -4.734 0.236 101 H THR 17 H THR 17 0.321 -7.724 0.502 102 HA THR 17 HA THR 17 1.560 -8.296 3.114 103 HB THR 17 HB THR 17 1.318 -10.209 0.783 104 HG1 THR 17 1HG THR 17 0.096 -11.399 2.450 105 HG21 THR 17 1HG2 THR 17 2.142 -11.531 3.124 106 HG22 THR 17 2HG2 THR 17 3.166 -10.102 2.980 107 HG23 THR 17 3HG2 THR 17 3.078 -11.261 1.654 108 H SER 18 H SER 18 2.186 -8.438 -0.396 109 HA SER 18 HA SER 18 4.881 -8.569 -0.493 110 HB2 SER 18 1HB SER 18 3.049 -6.835 -2.158 111 HB3 SER 18 2HB SER 18 4.755 -7.073 -2.536 112 HG SER 18 HG SER 18 2.877 -8.564 -3.372 113 H LEU 19 H LEU 19 2.988 -5.698 0.295 114 HA LEU 19 HA LEU 19 4.875 -3.720 0.251 115 HB2 LEU 19 1HB LEU 19 2.657 -3.138 0.783 116 HB3 LEU 19 2HB LEU 19 2.618 -4.233 2.164 117 HG LEU 19 HG LEU 19 4.513 -2.593 3.039 118 HD11 LEU 19 1HD1 LEU 19 4.690 -0.615 2.037 119 HD12 LEU 19 2HD1 LEU 19 2.940 -0.425 1.931 120 HD13 LEU 19 3HD1 LEU 19 3.806 -1.325 0.686 121 HD21 LEU 19 1HD2 LEU 19 2.916 -1.657 4.439 122 HD22 LEU 19 2HD2 LEU 19 2.155 -3.162 3.923 123 HD23 LEU 19 3HD2 LEU 19 1.680 -1.634 3.180 124 H GLN 20 H GLN 20 6.550 -3.042 1.503 125 HA GLN 20 HA GLN 20 7.453 -4.912 3.576 126 HB2 GLN 20 1HB GLN 20 8.888 -4.245 1.528 127 HB3 GLN 20 2HB GLN 20 9.132 -2.726 2.380 128 HG2 GLN 20 1HG GLN 20 10.964 -3.907 3.059 129 HG3 GLN 20 2HG GLN 20 9.829 -4.279 4.356 130 HE21 GLN 20 1HE2 GLN 20 10.532 -5.507 1.096 131 HE22 GLN 20 2HE2 GLN 20 10.570 -7.173 1.549 132 H GLU 21 H GLU 21 5.913 -3.974 5.097 133 HA GLU 21 HA GLU 21 5.547 -1.470 5.955 134 HB2 GLU 21 1HB GLU 21 5.962 -3.984 7.540 135 HB3 GLU 21 2HB GLU 21 5.669 -2.458 8.363 136 HG2 GLU 21 1HG GLU 21 3.619 -2.289 6.790 137 HG3 GLU 21 2HG GLU 21 3.853 -4.024 6.587 138 H THR 22 H THR 22 8.416 -3.408 6.717 139 HA THR 22 HA THR 22 9.845 -0.914 7.323 140 HB THR 22 HB THR 22 11.068 -2.064 9.152 141 HG1 THR 22 1HG THR 22 9.815 -3.999 9.962 142 HG21 THR 22 1HG2 THR 22 9.138 -0.607 9.638 143 HG22 THR 22 2HG2 THR 22 9.294 -1.914 10.812 144 HG23 THR 22 3HG2 THR 22 8.074 -2.009 9.544 145 H GLY 23 H GLY 23 11.174 -0.813 5.600 146 HA2 GLY 23 1HA GLY 23 13.528 -2.021 5.319 147 HA3 GLY 23 2HA GLY 23 12.468 -3.226 4.604 148 H LEU 24 H LEU 24 11.983 0.247 4.380 149 HA LEU 24 HA LEU 24 12.668 0.101 1.518 150 HB2 LEU 24 1HB LEU 24 10.425 1.694 2.750 151 HB3 LEU 24 2HB LEU 24 10.843 1.630 1.039 152 HG LEU 24 HG LEU 24 9.938 -0.787 2.590 153 HD11 LEU 24 1HD1 LEU 24 7.829 -0.115 1.015 154 HD12 LEU 24 2HD1 LEU 24 8.389 1.471 1.545 155 HD13 LEU 24 3HD1 LEU 24 7.955 0.246 2.737 156 HD21 LEU 24 1HD2 LEU 24 9.702 -0.307 -0.357 157 HD22 LEU 24 2HD2 LEU 24 9.716 -1.833 0.528 158 HD23 LEU 24 3HD2 LEU 24 11.206 -0.906 0.345 159 H LYS 25 H LYS 25 14.112 1.546 0.851 160 HA LYS 25 HA LYS 25 14.931 3.658 2.698 161 HB2 LYS 25 1HB LYS 25 16.215 2.493 0.227 162 HB3 LYS 25 2HB LYS 25 16.859 3.896 1.070 163 HG2 LYS 25 1HG LYS 25 18.103 2.228 2.009 164 HG3 LYS 25 2HG LYS 25 16.759 2.307 3.151 165 HD2 LYS 25 1HD LYS 25 15.660 0.488 1.767 166 HD3 LYS 25 2HD LYS 25 17.212 0.308 0.946 167 HE2 LYS 25 1HE LYS 25 18.222 0.012 3.262 168 HE3 LYS 25 2HE LYS 25 16.568 -0.159 3.846 169 HZ1 LYS 25 1HZ LYS 25 18.209 -2.054 2.485 170 HZ2 LYS 25 2HZ LYS 25 16.723 -1.850 1.703 171 HZ3 LYS 25 3HZ LYS 25 16.765 -2.297 3.334 172 H VAL 26 H VAL 26 15.873 5.647 1.321 173 HA VAL 26 HA VAL 26 13.539 6.847 0.119 174 HB VAL 26 HB VAL 26 14.954 8.149 1.649 175 HG11 VAL 26 1HG1 VAL 26 17.079 6.993 0.579 176 HG12 VAL 26 2HG1 VAL 26 17.067 8.449 -0.419 177 HG13 VAL 26 3HG1 VAL 26 17.173 8.582 1.337 178 HG21 VAL 26 1HG2 VAL 26 14.081 9.870 0.549 179 HG22 VAL 26 2HG2 VAL 26 15.502 9.880 -0.495 180 HG23 VAL 26 3HG2 VAL 26 14.074 8.955 -0.958 181 H ASN 27 H ASN 27 13.187 7.262 -1.989 182 HA ASN 27 HA ASN 27 13.498 7.385 -4.248 183 HB2 ASN 27 1HB ASN 27 16.445 6.910 -3.821 184 HB3 ASN 27 2HB ASN 27 15.659 7.730 -5.167 185 HD21 ASN 27 1HD2 ASN 27 14.349 9.688 -4.488 186 HD22 ASN 27 2HD2 ASN 27 15.091 10.741 -3.336 187 H GLN 28 H GLN 28 13.088 4.897 -2.728 188 HA GLN 28 HA GLN 28 14.290 2.953 -4.581 189 HB2 GLN 28 1HB GLN 28 13.349 2.748 -1.742 190 HB3 GLN 28 2HB GLN 28 13.417 1.309 -2.751 191 HG2 GLN 28 1HG GLN 28 15.737 3.137 -2.171 192 HG3 GLN 28 2HG GLN 28 15.424 1.595 -1.376 193 HE21 GLN 28 1HE2 GLN 28 17.580 2.709 -3.225 194 HE22 GLN 28 2HE2 GLN 28 17.767 1.476 -4.420 195 HA PRO 29 HA PRO 29 10.314 2.388 -6.412 196 HB2 PRO 29 1HB PRO 29 10.814 0.034 -7.669 197 HB3 PRO 29 2HB PRO 29 11.449 1.582 -8.240 198 HG2 PRO 29 1HG PRO 29 12.805 -0.543 -6.625 199 HG3 PRO 29 2HG PRO 29 13.434 0.395 -7.992 200 HD2 PRO 29 1HD PRO 29 14.036 0.987 -5.419 201 HD3 PRO 29 2HD PRO 29 13.902 2.231 -6.679 202 H ALA 30 H ALA 30 9.156 2.063 -4.431 203 HA ALA 30 HA ALA 30 8.965 -0.668 -3.424 204 HB1 ALA 30 1HB ALA 30 7.769 0.237 -1.572 205 HB2 ALA 30 2HB ALA 30 9.151 1.290 -1.877 206 HB3 ALA 30 3HB ALA 30 7.538 1.778 -2.399 207 H SER 31 H SER 31 7.546 -2.017 -4.292 208 HA SER 31 HA SER 31 4.887 -1.023 -5.013 209 HB2 SER 31 1HB SER 31 5.152 -2.720 -7.039 210 HB3 SER 31 2HB SER 31 5.676 -1.042 -7.176 211 HG SER 31 HG SER 31 7.177 -3.372 -7.032 212 H PHE 32 H PHE 32 3.234 -2.535 -4.836 213 HA PHE 32 HA PHE 32 3.885 -5.265 -4.076 214 HB2 PHE 32 1HB PHE 32 2.146 -4.853 -2.101 215 HB3 PHE 32 2HB PHE 32 3.874 -4.598 -1.885 216 HD1 PHE 32 2HD PHE 32 4.722 -2.181 -2.413 217 HD2 PHE 32 1HD PHE 32 0.683 -3.179 -1.515 218 HE1 PHE 32 2HE PHE 32 4.295 0.151 -1.756 219 HE2 PHE 32 1HE PHE 32 0.249 -0.848 -0.857 220 HZ PHE 32 HZ PHE 32 2.057 0.820 -0.975 221 H ALA 33 H ALA 33 1.692 -6.431 -3.519 222 HA ALA 33 HA ALA 33 -0.298 -5.549 -5.510 223 HB1 ALA 33 1HB ALA 33 -0.557 -7.676 -6.307 224 HB2 ALA 33 2HB ALA 33 1.151 -7.721 -5.866 225 HB3 ALA 33 3HB ALA 33 -0.056 -8.425 -4.790 226 H VAL 34 H VAL 34 -2.326 -5.275 -4.820 227 HA VAL 34 HA VAL 34 -2.942 -5.975 -2.044 228 HB VAL 34 HB VAL 34 -4.516 -4.208 -3.920 229 HG11 VAL 34 1HG1 VAL 34 -4.646 -4.151 -0.933 230 HG12 VAL 34 2HG1 VAL 34 -5.841 -3.615 -2.117 231 HG13 VAL 34 3HG1 VAL 34 -5.582 -5.338 -1.841 232 HG21 VAL 34 1HG2 VAL 34 -2.105 -3.705 -2.346 233 HG22 VAL 34 2HG2 VAL 34 -2.807 -2.779 -3.673 234 HG23 VAL 34 3HG2 VAL 34 -3.413 -2.565 -2.031 235 H GLN 35 H GLN 35 -3.964 -7.831 -1.715 236 HA GLN 35 HA GLN 35 -5.401 -9.172 -3.807 237 HB2 GLN 35 1HB GLN 35 -4.045 -10.337 -2.045 238 HB3 GLN 35 2HB GLN 35 -5.279 -9.889 -0.875 239 HG2 GLN 35 1HG GLN 35 -6.933 -11.182 -2.082 240 HG3 GLN 35 2HG GLN 35 -5.743 -11.583 -3.319 241 HE21 GLN 35 1HE2 GLN 35 -5.974 -13.786 -2.961 242 HE22 GLN 35 2HE2 GLN 35 -5.337 -14.563 -1.555 243 H LEU 36 H LEU 36 -7.597 -9.581 -3.938 244 HA LEU 36 HA LEU 36 -9.280 -7.671 -2.497 245 HB2 LEU 36 1HB LEU 36 -10.058 -9.438 -4.805 246 HB3 LEU 36 2HB LEU 36 -10.917 -8.025 -4.194 247 HG LEU 36 HG LEU 36 -8.165 -7.782 -5.366 248 HD11 LEU 36 1HD1 LEU 36 -8.899 -8.289 -7.393 249 HD12 LEU 36 2HD1 LEU 36 -10.087 -6.992 -7.272 250 HD13 LEU 36 3HD1 LEU 36 -10.509 -8.625 -6.757 251 HD21 LEU 36 1HD2 LEU 36 -10.185 -5.695 -5.744 252 HD22 LEU 36 2HD2 LEU 36 -8.505 -5.571 -5.224 253 HD23 LEU 36 3HD2 LEU 36 -9.760 -6.000 -4.060 254 H ASN 37 H ASN 37 -9.035 -11.131 -3.204 255 HA ASN 37 HA ASN 37 -9.908 -12.965 -2.182 256 HB2 ASN 37 1HB ASN 37 -10.355 -11.111 0.168 257 HB3 ASN 37 2HB ASN 37 -10.274 -12.870 0.218 258 HD21 ASN 37 1HD2 ASN 37 -8.457 -9.928 -0.231 259 HD22 ASN 37 2HD2 ASN 37 -6.897 -10.618 0.046 260 H GLY 38 H GLY 38 -11.636 -11.744 -3.884 261 HA2 GLY 38 1HA GLY 38 -13.936 -12.537 -4.154 262 HA3 GLY 38 2HA GLY 38 -14.219 -12.059 -2.486 263 H ALA 39 H ALA 39 -12.977 -9.538 -2.532 264 HA ALA 39 HA ALA 39 -15.052 -7.899 -3.395 265 HB1 ALA 39 1HB ALA 39 -13.904 -6.291 -2.360 266 HB2 ALA 39 2HB ALA 39 -12.743 -7.551 -1.942 267 HB3 ALA 39 3HB ALA 39 -12.477 -6.545 -3.366 268 H ARG 40 H ARG 40 -15.094 -6.280 -5.077 269 HA ARG 40 HA ARG 40 -13.293 -6.585 -7.322 270 HB2 ARG 40 1HB ARG 40 -14.879 -8.355 -7.798 271 HB3 ARG 40 2HB ARG 40 -16.230 -7.258 -7.550 272 HG2 ARG 40 1HG ARG 40 -16.078 -7.378 -9.850 273 HG3 ARG 40 2HG ARG 40 -15.188 -5.900 -9.480 274 HD2 ARG 40 1HD ARG 40 -13.713 -6.906 -10.908 275 HD3 ARG 40 2HD ARG 40 -13.146 -7.560 -9.372 276 HE ARG 40 HE ARG 40 -13.804 -9.640 -10.059 277 HH11 ARG 40 1HH1 ARG 40 -15.317 -7.244 -12.082 278 HH12 ARG 40 2HH1 ARG 40 -15.969 -8.404 -13.192 279 HH21 ARG 40 1HH2 ARG 40 -14.657 -11.177 -11.513 280 HH22 ARG 40 2HH2 ARG 40 -15.594 -10.641 -12.866 281 H GLY 41 H GLY 41 -12.836 -4.582 -7.935 282 HA2 GLY 41 1HA GLY 41 -14.712 -2.694 -8.780 283 HA3 GLY 41 2HA GLY 41 -14.312 -2.320 -7.110 284 H VAL 42 H VAL 42 -13.144 -0.491 -7.323 285 HA VAL 42 HA VAL 42 -10.708 -0.656 -8.976 286 HB VAL 42 HB VAL 42 -12.328 1.833 -8.420 287 HG11 VAL 42 1HG1 VAL 42 -10.601 2.317 -10.525 288 HG12 VAL 42 2HG1 VAL 42 -10.412 2.884 -8.865 289 HG13 VAL 42 3HG1 VAL 42 -9.626 1.392 -9.383 290 HG21 VAL 42 1HG2 VAL 42 -12.981 -0.128 -10.184 291 HG22 VAL 42 2HG2 VAL 42 -13.402 1.573 -10.379 292 HG23 VAL 42 3HG2 VAL 42 -11.978 0.919 -11.187 293 H ILE 43 H ILE 43 -8.854 -0.396 -7.916 294 HA ILE 43 HA ILE 43 -8.963 0.553 -5.140 295 HB ILE 43 HB ILE 43 -6.960 -1.152 -6.605 296 HG12 ILE 43 1HG1 ILE 43 -9.156 -2.017 -5.486 297 HG13 ILE 43 2HG1 ILE 43 -7.647 -2.882 -5.212 298 HG21 ILE 43 1HG2 ILE 43 -6.672 0.346 -4.033 299 HG22 ILE 43 2HG2 ILE 43 -5.845 -1.194 -4.265 300 HG23 ILE 43 3HG2 ILE 43 -5.517 0.155 -5.353 301 HD11 ILE 43 1HD1 ILE 43 -8.720 -0.805 -3.327 302 HD12 ILE 43 2HD1 ILE 43 -9.074 -2.528 -3.190 303 HD13 ILE 43 3HD1 ILE 43 -7.412 -1.954 -3.047 304 H ASP 44 H ASP 44 -8.099 2.441 -4.582 305 HA ASP 44 HA ASP 44 -6.432 3.843 -6.561 306 HB2 ASP 44 1HB ASP 44 -8.314 4.835 -4.430 307 HB3 ASP 44 2HB ASP 44 -7.099 5.891 -5.145 308 H ALA 45 H ALA 45 -4.437 4.574 -6.036 309 HA ALA 45 HA ALA 45 -3.537 4.229 -3.255 310 HB1 ALA 45 1HB ALA 45 -1.704 3.632 -5.543 311 HB2 ALA 45 2HB ALA 45 -1.605 3.103 -3.862 312 HB3 ALA 45 3HB ALA 45 -2.814 2.402 -4.938 313 H ARG 46 H ARG 46 -2.608 5.984 -2.430 314 HA ARG 46 HA ARG 46 -1.156 7.828 -4.159 315 HB2 ARG 46 1HB ARG 46 -3.686 8.471 -2.707 316 HB3 ARG 46 2HB ARG 46 -2.441 9.708 -2.819 317 HG2 ARG 46 1HG ARG 46 -2.491 9.121 -5.361 318 HG3 ARG 46 2HG ARG 46 -4.087 8.476 -4.973 319 HD2 ARG 46 1HD ARG 46 -4.646 10.630 -5.496 320 HD3 ARG 46 2HD ARG 46 -4.360 10.799 -3.764 321 HE ARG 46 HE ARG 46 -2.480 12.052 -4.217 322 HH11 ARG 46 1HH1 ARG 46 -3.673 10.593 -7.145 323 HH12 ARG 46 2HH1 ARG 46 -2.647 11.527 -8.183 324 HH21 ARG 46 1HH2 ARG 46 -1.125 13.288 -5.573 325 HH22 ARG 46 2HH2 ARG 46 -1.197 13.059 -7.288 326 H VAL 47 H VAL 47 0.666 8.461 -3.208 327 HA VAL 47 HA VAL 47 1.031 7.899 -0.364 328 HB VAL 47 HB VAL 47 3.466 8.525 -0.944 329 HG11 VAL 47 1HG1 VAL 47 3.224 6.299 -0.508 330 HG12 VAL 47 2HG1 VAL 47 1.955 6.086 -1.716 331 HG13 VAL 47 3HG1 VAL 47 3.641 6.214 -2.219 332 HG21 VAL 47 1HG2 VAL 47 4.104 8.841 -3.088 333 HG22 VAL 47 2HG2 VAL 47 2.890 7.733 -3.727 334 HG23 VAL 47 3HG2 VAL 47 2.434 9.376 -3.278 335 H HIS 48 H HIS 48 1.770 9.428 1.115 336 HA HIS 48 HA HIS 48 1.476 12.232 0.256 337 HB2 HIS 48 1HB HIS 48 0.630 10.838 2.780 338 HB3 HIS 48 2HB HIS 48 0.919 12.575 2.769 339 HD1 HIS 48 1HD HIS 48 -0.958 14.018 1.979 340 HD2 HIS 48 2HD HIS 48 -1.489 10.029 0.943 341 HE1 HIS 48 1HE HIS 48 -3.273 13.878 1.008 342 HE2 HIS 48 2HE HIS 48 -3.604 11.440 0.467 343 H THR 49 H THR 49 3.157 13.546 0.559 344 HA THR 49 HA THR 49 5.521 12.482 1.900 345 HB THR 49 HB THR 49 6.798 14.112 0.770 346 HG1 THR 49 1HG THR 49 5.695 15.993 1.033 347 HG21 THR 49 1HG2 THR 49 4.918 12.525 -0.686 348 HG22 THR 49 2HG2 THR 49 6.557 12.993 -1.140 349 HG23 THR 49 3HG2 THR 49 5.195 14.033 -1.557 350 HA PRO 50 HA PRO 50 5.006 14.917 5.531 351 HB2 PRO 50 1HB PRO 50 7.596 15.064 6.330 352 HB3 PRO 50 2HB PRO 50 6.630 13.591 6.470 353 HG2 PRO 50 1HG PRO 50 8.639 14.347 4.383 354 HG3 PRO 50 2HG PRO 50 8.407 12.791 5.202 355 HD2 PRO 50 1HD PRO 50 7.479 13.275 2.705 356 HD3 PRO 50 2HD PRO 50 6.647 12.193 3.840 357 H SER 51 H SER 51 6.747 15.972 2.798 358 HA SER 51 HA SER 51 7.592 18.506 3.858 359 HB2 SER 51 1HB SER 51 8.866 17.560 2.041 360 HB3 SER 51 2HB SER 51 7.427 17.448 1.028 361 HG SER 51 HG SER 51 8.884 19.307 0.678 362 H GLY 52 H GLY 52 4.723 17.234 2.419 363 HA2 GLY 52 1HA GLY 52 2.664 18.479 2.803 364 HA3 GLY 52 2HA GLY 52 3.562 19.948 2.449 365 H ALA 53 H ALA 53 3.925 17.025 0.567 366 HA ALA 53 HA ALA 53 2.401 18.280 -1.620 367 HB1 ALA 53 1HB ALA 53 4.123 17.200 -3.159 368 HB2 ALA 53 2HB ALA 53 4.632 18.627 -2.256 369 HB3 ALA 53 3HB ALA 53 5.126 17.022 -1.719 370 H VAL 54 H VAL 54 0.810 17.038 -2.342 371 HA VAL 54 HA VAL 54 0.659 14.256 -1.541 372 HB VAL 54 HB VAL 54 -1.270 16.057 -3.000 373 HG11 VAL 54 1HG1 VAL 54 -2.780 13.932 -2.362 374 HG12 VAL 54 2HG1 VAL 54 -1.998 14.129 -3.932 375 HG13 VAL 54 3HG1 VAL 54 -1.250 13.120 -2.693 376 HG21 VAL 54 1HG2 VAL 54 -1.569 16.668 -0.845 377 HG22 VAL 54 2HG2 VAL 54 -2.551 15.204 -0.793 378 HG23 VAL 54 3HG2 VAL 54 -0.886 15.170 -0.212 379 H GLU 55 H GLU 55 1.873 12.899 -2.719 380 HA GLU 55 HA GLU 55 2.128 13.270 -5.593 381 HB2 GLU 55 1HB GLU 55 3.491 11.579 -3.543 382 HB3 GLU 55 2HB GLU 55 3.542 11.069 -5.225 383 HG2 GLU 55 1HG GLU 55 4.481 13.286 -5.814 384 HG3 GLU 55 2HG GLU 55 4.541 13.672 -4.096 385 H GLU 56 H GLU 56 2.089 11.102 -6.880 386 HA GLU 56 HA GLU 56 -0.381 9.668 -6.154 387 HB2 GLU 56 1HB GLU 56 -0.944 9.500 -8.482 388 HB3 GLU 56 2HB GLU 56 -0.609 11.187 -8.121 389 HG2 GLU 56 1HG GLU 56 1.639 10.931 -9.069 390 HG3 GLU 56 2HG GLU 56 1.264 9.255 -9.468 391 H CYS 57 H CYS 57 -0.533 7.512 -7.387 392 HA CYS 57 HA CYS 57 2.103 6.196 -7.350 393 HB2 CYS 57 1HB CYS 57 -0.503 4.905 -6.532 394 HB3 CYS 57 2HB CYS 57 1.117 4.238 -6.366 395 HG CYS 57 HG CYS 57 1.142 7.056 -4.768 396 H TYR 58 H TYR 58 1.623 3.793 -8.334 397 HA TYR 58 HA TYR 58 0.346 4.278 -10.946 398 HB2 TYR 58 1HB TYR 58 2.690 4.165 -11.336 399 HB3 TYR 58 2HB TYR 58 2.874 2.777 -10.271 400 HD1 TYR 58 2HD TYR 58 0.809 3.647 -13.271 401 HD2 TYR 58 1HD TYR 58 3.316 0.797 -11.350 402 HE1 TYR 58 2HE TYR 58 0.567 2.142 -15.201 403 HE2 TYR 58 1HE TYR 58 3.082 -0.716 -13.276 404 HH TYR 58 HH TYR 58 1.832 -1.127 -15.153 405 H VAL 59 H VAL 59 -1.561 3.251 -10.812 406 HA VAL 59 HA VAL 59 -1.505 0.385 -10.157 407 HB VAL 59 HB VAL 59 -2.477 1.292 -8.211 408 HG11 VAL 59 1HG1 VAL 59 -2.892 3.546 -9.427 409 HG12 VAL 59 2HG1 VAL 59 -4.498 2.884 -9.737 410 HG13 VAL 59 3HG1 VAL 59 -3.932 3.087 -8.079 411 HG21 VAL 59 1HG2 VAL 59 -4.729 0.442 -8.237 412 HG22 VAL 59 2HG2 VAL 59 -4.804 0.580 -9.994 413 HG23 VAL 59 3HG2 VAL 59 -3.718 -0.592 -9.246 414 H SER 60 H SER 60 -1.717 -0.386 -12.198 415 HA SER 60 HA SER 60 -3.297 0.760 -14.225 416 HB2 SER 60 1HB SER 60 -1.400 -1.067 -14.315 417 HB3 SER 60 2HB SER 60 -2.757 -2.185 -14.185 418 HG SER 60 HG SER 60 -2.482 -1.844 -16.334 419 H GLU 61 H GLU 61 -4.990 -0.870 -15.339 420 HA GLU 61 HA GLU 61 -7.224 -0.908 -13.531 421 HB2 GLU 61 1HB GLU 61 -8.516 -1.640 -15.490 422 HB3 GLU 61 2HB GLU 61 -7.540 -0.222 -15.848 423 HG2 GLU 61 1HG GLU 61 -7.167 -1.486 -17.711 424 HG3 GLU 61 2HG GLU 61 -5.813 -1.985 -16.698 425 H LEU 62 H LEU 62 -8.595 -2.778 -13.184 426 HA LEU 62 HA LEU 62 -7.294 -4.956 -12.104 427 HB2 LEU 62 1HB LEU 62 -9.663 -4.283 -11.712 428 HB3 LEU 62 2HB LEU 62 -10.071 -4.992 -13.273 429 HG LEU 62 HG LEU 62 -8.983 -7.142 -12.188 430 HD11 LEU 62 1HD1 LEU 62 -8.253 -6.434 -10.118 431 HD12 LEU 62 2HD1 LEU 62 -9.836 -7.111 -9.735 432 HD13 LEU 62 3HD1 LEU 62 -9.635 -5.364 -9.877 433 HD21 LEU 62 1HD2 LEU 62 -11.182 -7.882 -11.597 434 HD22 LEU 62 2HD2 LEU 62 -11.314 -6.832 -13.008 435 HD23 LEU 62 3HD2 LEU 62 -11.745 -6.222 -11.410 436 H ASP 63 H ASP 63 -6.073 -6.441 -13.044 437 HA ASP 63 HA ASP 63 -6.675 -7.238 -15.809 438 HB2 ASP 63 1HB ASP 63 -4.418 -6.321 -15.420 439 HB3 ASP 63 2HB ASP 63 -4.117 -7.584 -14.229 440 H SER 64 H SER 64 -5.177 -8.799 -12.972 441 HA SER 64 HA SER 64 -6.769 -11.203 -13.588 442 HB2 SER 64 1HB SER 64 -3.960 -10.898 -12.547 443 HB3 SER 64 2HB SER 64 -4.869 -12.389 -12.300 444 HG SER 64 HG SER 64 -3.890 -11.263 -14.667 445 H ASP 65 H ASP 65 -8.046 -9.383 -12.101 446 HA ASP 65 HA ASP 65 -9.159 -9.061 -10.143 447 HB2 ASP 65 1HB ASP 65 -9.296 -11.650 -10.497 448 HB3 ASP 65 2HB ASP 65 -8.179 -11.710 -9.136 449 H LYS 66 H LYS 66 -6.641 -7.929 -10.260 450 HA LYS 66 HA LYS 66 -6.049 -7.662 -7.455 451 HB2 LYS 66 1HB LYS 66 -4.008 -8.823 -9.353 452 HB3 LYS 66 2HB LYS 66 -3.585 -8.104 -7.805 453 HG2 LYS 66 1HG LYS 66 -5.219 -9.779 -6.781 454 HG3 LYS 66 2HG LYS 66 -5.154 -10.600 -8.342 455 HD2 LYS 66 1HD LYS 66 -2.953 -11.213 -8.080 456 HD3 LYS 66 2HD LYS 66 -2.599 -9.872 -6.988 457 HE2 LYS 66 1HE LYS 66 -2.571 -11.920 -5.733 458 HE3 LYS 66 2HE LYS 66 -3.987 -10.983 -5.258 459 HZ1 LYS 66 1HZ LYS 66 -5.089 -12.434 -7.131 460 HZ2 LYS 66 2HZ LYS 66 -4.932 -13.013 -5.550 461 HZ3 LYS 66 3HZ LYS 66 -3.834 -13.500 -6.741 462 H HIS 67 H HIS 67 -4.142 -6.062 -7.185 463 HA HIS 67 HA HIS 67 -3.969 -4.168 -9.404 464 HB2 HIS 67 1HB HIS 67 -4.850 -3.379 -6.619 465 HB3 HIS 67 2HB HIS 67 -4.527 -2.268 -7.947 466 HD1 HIS 67 1HD HIS 67 -6.333 -2.009 -9.738 467 HD2 HIS 67 2HD HIS 67 -7.264 -4.833 -6.836 468 HE1 HIS 67 1HE HIS 67 -8.762 -2.558 -10.089 469 HE2 HIS 67 2HE HIS 67 -9.324 -4.205 -8.268 470 H THR 68 H THR 68 -1.919 -3.622 -9.691 471 HA THR 68 HA THR 68 -0.021 -4.017 -7.496 472 HB THR 68 HB THR 68 0.558 -3.512 -10.421 473 HG1 THR 68 1HG THR 68 0.957 -5.998 -9.179 474 HG21 THR 68 1HG2 THR 68 2.221 -3.763 -8.023 475 HG22 THR 68 2HG2 THR 68 2.610 -3.089 -9.606 476 HG23 THR 68 3HG2 THR 68 2.703 -4.830 -9.342 477 H ILE 69 H ILE 69 1.014 -2.381 -6.524 478 HA ILE 69 HA ILE 69 0.575 0.331 -7.587 479 HB ILE 69 HB ILE 69 1.363 -0.167 -4.745 480 HG12 ILE 69 1HG1 ILE 69 -0.504 -1.628 -4.909 481 HG13 ILE 69 2HG1 ILE 69 -1.126 -0.133 -4.219 482 HG21 ILE 69 1HG2 ILE 69 1.373 2.112 -5.603 483 HG22 ILE 69 2HG2 ILE 69 -0.311 1.946 -6.096 484 HG23 ILE 69 3HG2 ILE 69 0.114 1.908 -4.385 485 HD11 ILE 69 1HD1 ILE 69 -2.602 0.040 -5.851 486 HD12 ILE 69 2HD1 ILE 69 -1.324 -0.021 -7.065 487 HD13 ILE 69 3HD1 ILE 69 -2.052 -1.515 -6.474 488 H ARG 70 H ARG 70 2.276 1.765 -7.722 489 HA ARG 70 HA ARG 70 4.926 0.912 -6.867 490 HB2 ARG 70 1HB ARG 70 4.422 0.115 -9.271 491 HB3 ARG 70 2HB ARG 70 4.548 1.813 -9.711 492 HG2 ARG 70 1HG ARG 70 6.818 1.911 -9.062 493 HG3 ARG 70 2HG ARG 70 6.726 0.345 -8.253 494 HD2 ARG 70 1HD ARG 70 6.230 0.658 -11.200 495 HD3 ARG 70 2HD ARG 70 7.848 0.417 -10.542 496 HE ARG 70 HE ARG 70 6.261 -1.586 -9.484 497 HH11 ARG 70 1HH1 ARG 70 7.313 -0.540 -12.633 498 HH12 ARG 70 2HH1 ARG 70 7.264 -2.129 -13.322 499 HH21 ARG 70 1HH2 ARG 70 6.192 -3.683 -10.379 500 HH22 ARG 70 2HH2 ARG 70 6.625 -3.916 -12.038 501 H PHE 71 H PHE 71 5.884 2.574 -5.914 502 HA PHE 71 HA PHE 71 5.803 5.219 -7.042 503 HB2 PHE 71 1HB PHE 71 4.914 6.268 -4.940 504 HB3 PHE 71 2HB PHE 71 3.723 5.349 -5.854 505 HD1 PHE 71 1HD PHE 71 6.134 4.952 -3.042 506 HD2 PHE 71 2HD PHE 71 2.402 3.820 -4.749 507 HE1 PHE 71 1HE PHE 71 5.616 3.634 -1.030 508 HE2 PHE 71 2HE PHE 71 1.879 2.501 -2.739 509 HZ PHE 71 HZ PHE 71 3.486 2.407 -0.876 510 H ILE 72 H ILE 72 7.449 6.536 -6.289 511 HA ILE 72 HA ILE 72 9.311 5.260 -4.393 512 HB ILE 72 HB ILE 72 9.893 6.984 -6.797 513 HG12 ILE 72 1HG1 ILE 72 10.953 4.250 -6.070 514 HG13 ILE 72 2HG1 ILE 72 9.515 4.492 -7.056 515 HG21 ILE 72 1HG2 ILE 72 11.651 7.794 -5.702 516 HG22 ILE 72 2HG2 ILE 72 11.378 6.718 -4.333 517 HG23 ILE 72 3HG2 ILE 72 12.317 6.161 -5.718 518 HD11 ILE 72 1HD1 ILE 72 10.701 5.099 -8.869 519 HD12 ILE 72 2HD1 ILE 72 11.941 5.920 -7.921 520 HD13 ILE 72 3HD1 ILE 72 11.963 4.163 -8.069 521 HA PRO 73 HA PRO 73 8.541 8.817 -1.854 522 HB2 PRO 73 1HB PRO 73 10.439 8.282 0.012 523 HB3 PRO 73 2HB PRO 73 8.900 7.417 -0.068 524 HG2 PRO 73 1HG PRO 73 11.590 6.591 -1.087 525 HG3 PRO 73 2HG PRO 73 10.377 5.629 -0.223 526 HD2 PRO 73 1HD PRO 73 10.700 5.497 -2.908 527 HD3 PRO 73 2HD PRO 73 9.123 5.273 -2.124 528 H HIS 74 H HIS 74 9.268 10.846 -2.012 529 HA HIS 74 HA HIS 74 11.811 11.354 -3.297 530 HB2 HIS 74 1HB HIS 74 9.466 13.056 -2.508 531 HB3 HIS 74 2HB HIS 74 10.995 13.803 -2.963 532 HD1 HIS 74 1HD HIS 74 9.547 10.754 -4.650 533 HD2 HIS 74 2HD HIS 74 10.193 14.789 -5.402 534 HE1 HIS 74 1HE HIS 74 9.022 11.076 -7.089 535 HE2 HIS 74 2HE HIS 74 9.502 13.507 -7.540 536 H GLU 75 H GLU 75 10.244 12.424 -0.275 537 HA GLU 75 HA GLU 75 12.926 12.934 0.827 538 HB2 GLU 75 1HB GLU 75 11.880 14.969 1.037 539 HB3 GLU 75 2HB GLU 75 10.283 14.252 1.206 540 HG2 GLU 75 1HG GLU 75 10.519 13.911 3.459 541 HG3 GLU 75 2HG GLU 75 12.279 13.853 3.376 542 H ASN 76 H ASN 76 13.573 11.950 2.674 543 HA ASN 76 HA ASN 76 12.524 9.517 3.443 544 HB2 ASN 76 1HB ASN 76 14.416 11.455 4.676 545 HB3 ASN 76 2HB ASN 76 13.781 10.179 5.711 546 HD21 ASN 76 1HD2 ASN 76 13.618 8.056 4.063 547 HD22 ASN 76 2HD2 ASN 76 15.186 7.616 3.486 548 H GLY 77 H GLY 77 11.492 8.850 5.447 549 HA2 GLY 77 1HA GLY 77 10.312 9.682 7.484 550 HA3 GLY 77 2HA GLY 77 9.597 10.893 6.431 551 H VAL 78 H VAL 78 8.070 9.181 8.018 552 HA VAL 78 HA VAL 78 7.133 6.944 6.498 553 HB VAL 78 HB VAL 78 5.865 8.350 8.853 554 HG11 VAL 78 1HG1 VAL 78 5.280 5.544 7.982 555 HG12 VAL 78 2HG1 VAL 78 4.336 6.607 9.028 556 HG13 VAL 78 3HG1 VAL 78 4.402 6.908 7.291 557 HG21 VAL 78 1HG2 VAL 78 6.920 6.816 10.252 558 HG22 VAL 78 2HG2 VAL 78 7.296 5.717 8.926 559 HG23 VAL 78 3HG2 VAL 78 8.177 7.236 9.089 560 H HIS 79 H HIS 79 5.691 6.919 4.905 561 HA HIS 79 HA HIS 79 4.189 9.376 4.343 562 HB2 HIS 79 1HB HIS 79 4.873 7.011 2.588 563 HB3 HIS 79 2HB HIS 79 3.852 8.353 2.080 564 HD1 HIS 79 1HD HIS 79 7.157 8.504 3.946 565 HD2 HIS 79 2HD HIS 79 5.461 9.679 0.340 566 HE1 HIS 79 1HE HIS 79 8.914 9.888 2.796 567 HE2 HIS 79 2HE HIS 79 7.834 10.658 0.654 568 H SER 80 H SER 80 1.966 9.216 3.650 569 HA SER 80 HA SER 80 0.567 7.010 5.000 570 HB2 SER 80 1HB SER 80 -0.051 9.894 4.580 571 HB3 SER 80 2HB SER 80 -1.408 8.768 4.623 572 HG SER 80 HG SER 80 0.268 9.598 6.647 573 H ILE 81 H ILE 81 -0.105 5.463 3.681 574 HA ILE 81 HA ILE 81 -0.654 6.049 0.882 575 HB ILE 81 HB ILE 81 -0.919 3.339 2.147 576 HG12 ILE 81 1HG1 ILE 81 1.288 4.455 2.753 577 HG13 ILE 81 2HG1 ILE 81 1.403 2.914 1.908 578 HG21 ILE 81 1HG2 ILE 81 -0.265 4.336 -0.617 579 HG22 ILE 81 2HG2 ILE 81 -0.140 2.646 -0.132 580 HG23 ILE 81 3HG2 ILE 81 -1.704 3.460 -0.098 581 HD11 ILE 81 1HD1 ILE 81 1.795 4.128 -0.193 582 HD12 ILE 81 2HD1 ILE 81 1.755 5.647 0.703 583 HD13 ILE 81 3HD1 ILE 81 3.020 4.464 1.031 584 H ASP 82 H ASP 82 -2.617 6.867 0.504 585 HA ASP 82 HA ASP 82 -4.910 6.076 2.082 586 HB2 ASP 82 1HB ASP 82 -4.497 8.037 -0.167 587 HB3 ASP 82 2HB ASP 82 -6.106 7.646 0.435 588 H VAL 83 H VAL 83 -5.555 4.034 1.654 589 HA VAL 83 HA VAL 83 -5.918 3.240 -1.151 590 HB VAL 83 HB VAL 83 -5.821 1.566 1.360 591 HG11 VAL 83 1HG1 VAL 83 -6.747 0.961 -1.375 592 HG12 VAL 83 2HG1 VAL 83 -5.677 -0.230 -0.633 593 HG13 VAL 83 3HG1 VAL 83 -7.186 0.220 0.163 594 HG21 VAL 83 1HG2 VAL 83 -3.665 2.488 0.491 595 HG22 VAL 83 2HG2 VAL 83 -3.745 0.726 0.522 596 HG23 VAL 83 3HG2 VAL 83 -3.949 1.592 -1.001 597 H LYS 84 H LYS 84 -7.889 3.451 -1.956 598 HA LYS 84 HA LYS 84 -10.194 3.052 -0.162 599 HB2 LYS 84 1HB LYS 84 -9.720 5.100 -2.302 600 HB3 LYS 84 2HB LYS 84 -11.361 4.606 -1.904 601 HG2 LYS 84 1HG LYS 84 -10.769 5.174 0.508 602 HG3 LYS 84 2HG LYS 84 -9.352 5.988 -0.159 603 HD2 LYS 84 1HD LYS 84 -10.868 7.721 -0.067 604 HD3 LYS 84 2HD LYS 84 -11.111 7.139 -1.716 605 HE2 LYS 84 1HE LYS 84 -13.100 6.025 -1.140 606 HE3 LYS 84 2HE LYS 84 -12.755 6.127 0.586 607 HZ1 LYS 84 1HZ LYS 84 -14.100 7.889 0.535 608 HZ2 LYS 84 2HZ LYS 84 -14.017 8.044 -1.147 609 HZ3 LYS 84 3HZ LYS 84 -12.809 8.720 -0.176 610 H PHE 85 H PHE 85 -11.987 1.962 -0.992 611 HA PHE 85 HA PHE 85 -11.633 0.706 -3.627 612 HB2 PHE 85 1HB PHE 85 -11.024 -0.837 -1.717 613 HB3 PHE 85 2HB PHE 85 -12.707 -0.750 -1.209 614 HD1 PHE 85 1HD PHE 85 -11.025 -1.158 -4.516 615 HD2 PHE 85 2HD PHE 85 -13.808 -2.700 -1.689 616 HE1 PHE 85 1HE PHE 85 -11.580 -2.987 -6.065 617 HE2 PHE 85 2HE PHE 85 -14.367 -4.532 -3.233 618 HZ PHE 85 HZ PHE 85 -13.252 -4.677 -5.424 619 H ASN 86 H ASN 86 -13.314 1.048 -4.910 620 HA ASN 86 HA ASN 86 -15.344 1.886 -5.585 621 HB2 ASN 86 1HB ASN 86 -15.603 -0.632 -4.805 622 HB3 ASN 86 2HB ASN 86 -16.640 0.091 -3.579 623 HD21 ASN 86 1HD2 ASN 86 -16.291 -0.759 -6.881 624 HD22 ASN 86 2HD2 ASN 86 -17.871 -0.291 -7.399 625 H GLY 87 H GLY 87 -14.202 3.501 -3.567 626 HA2 GLY 87 1HA GLY 87 -14.894 5.369 -2.396 627 HA3 GLY 87 2HA GLY 87 -16.558 4.887 -2.688 628 H ALA 88 H ALA 88 -14.023 3.006 -1.096 629 HA ALA 88 HA ALA 88 -15.258 3.448 1.506 630 HB1 ALA 88 1HB ALA 88 -14.829 0.603 0.730 631 HB2 ALA 88 2HB ALA 88 -15.934 1.295 1.918 632 HB3 ALA 88 3HB ALA 88 -16.296 1.426 0.197 633 H HIS 89 H HIS 89 -13.754 3.592 3.042 634 HA HIS 89 HA HIS 89 -10.993 3.174 2.398 635 HB2 HIS 89 1HB HIS 89 -12.519 4.262 4.709 636 HB3 HIS 89 2HB HIS 89 -10.890 3.672 5.025 637 HD1 HIS 89 1HD HIS 89 -8.980 5.164 4.361 638 HD2 HIS 89 2HD HIS 89 -12.620 6.440 2.817 639 HE1 HIS 89 1HE HIS 89 -8.528 7.424 3.356 640 HE2 HIS 89 2HE HIS 89 -10.763 8.213 2.503 641 H ILE 90 H ILE 90 -9.787 1.426 2.743 642 HA ILE 90 HA ILE 90 -10.958 -0.962 3.789 643 HB ILE 90 HB ILE 90 -8.858 -2.036 3.310 644 HG12 ILE 90 1HG1 ILE 90 -7.593 0.544 2.474 645 HG13 ILE 90 2HG1 ILE 90 -7.584 0.103 4.178 646 HG21 ILE 90 1HG2 ILE 90 -9.062 -0.101 1.055 647 HG22 ILE 90 2HG2 ILE 90 -8.925 -1.859 1.025 648 HG23 ILE 90 3HG2 ILE 90 -10.459 -1.100 1.453 649 HD11 ILE 90 1HD1 ILE 90 -5.821 -0.726 2.154 650 HD12 ILE 90 2HD1 ILE 90 -5.857 -1.230 3.844 651 HD13 ILE 90 3HD1 ILE 90 -6.756 -2.143 2.632 652 HA PRO 91 HA PRO 91 -9.823 -0.711 8.025 653 HB2 PRO 91 1HB PRO 91 -9.468 -3.341 8.599 654 HB3 PRO 91 2HB PRO 91 -11.061 -2.622 8.334 655 HG2 PRO 91 1HG PRO 91 -9.353 -4.192 6.442 656 HG3 PRO 91 2HG PRO 91 -11.100 -4.299 6.724 657 HD2 PRO 91 1HD PRO 91 -10.044 -2.972 4.614 658 HD3 PRO 91 2HD PRO 91 -11.553 -2.468 5.400 659 H GLY 92 H GLY 92 -7.862 0.275 8.263 660 HA2 GLY 92 1HA GLY 92 -5.687 -0.459 9.330 661 HA3 GLY 92 2HA GLY 92 -5.462 -1.399 7.862 662 H SER 93 H SER 93 -6.786 0.909 6.364 663 HA SER 93 HA SER 93 -4.312 2.309 5.823 664 HB2 SER 93 1HB SER 93 -5.323 1.948 3.803 665 HB3 SER 93 2HB SER 93 -6.948 2.019 4.484 666 HG SER 93 HG SER 93 -6.899 4.204 4.402 667 HA PRO 94 HA PRO 94 -3.971 4.284 4.552 668 HB2 PRO 94 1HB PRO 94 -2.100 6.074 5.368 669 HB3 PRO 94 2HB PRO 94 -3.603 6.552 4.570 670 HG2 PRO 94 1HG PRO 94 -2.924 6.551 7.486 671 HG3 PRO 94 2HG PRO 94 -3.780 7.781 6.536 672 HD2 PRO 94 1HD PRO 94 -5.072 5.996 8.110 673 HD3 PRO 94 2HD PRO 94 -5.775 6.628 6.608 674 H PHE 95 H PHE 95 -2.043 3.191 4.255 675 HA PHE 95 HA PHE 95 -1.097 1.690 6.542 676 HB2 PHE 95 1HB PHE 95 -0.566 1.548 3.582 677 HB3 PHE 95 2HB PHE 95 0.383 0.611 4.732 678 HD1 PHE 95 1HD PHE 95 -1.261 -0.581 6.572 679 HD2 PHE 95 2HD PHE 95 -2.225 0.379 2.539 680 HE1 PHE 95 1HE PHE 95 -2.990 -2.332 6.572 681 HE2 PHE 95 2HE PHE 95 -3.956 -1.370 2.533 682 HZ PHE 95 HZ PHE 95 -4.340 -2.728 4.551 683 H LYS 96 H LYS 96 0.210 2.851 7.840 684 HA LYS 96 HA LYS 96 2.045 4.812 6.940 685 HB2 LYS 96 1HB LYS 96 1.874 3.308 9.556 686 HB3 LYS 96 2HB LYS 96 2.957 4.663 9.266 687 HG2 LYS 96 1HG LYS 96 0.013 4.954 8.835 688 HG3 LYS 96 2HG LYS 96 0.708 5.080 10.453 689 HD2 LYS 96 1HD LYS 96 2.346 6.759 9.337 690 HD3 LYS 96 2HD LYS 96 1.121 6.844 8.069 691 HE2 LYS 96 1HE LYS 96 -0.511 7.658 9.567 692 HE3 LYS 96 2HE LYS 96 0.460 7.235 10.976 693 HZ1 LYS 96 1HZ LYS 96 1.925 8.992 10.577 694 HZ2 LYS 96 2HZ LYS 96 0.397 9.661 10.302 695 HZ3 LYS 96 3HZ LYS 96 1.378 9.229 8.994 696 H ILE 97 H ILE 97 3.738 4.349 5.697 697 HA ILE 97 HA ILE 97 5.281 1.908 6.275 698 HB ILE 97 HB ILE 97 6.174 2.143 3.959 699 HG12 ILE 97 1HG1 ILE 97 3.958 4.171 3.615 700 HG13 ILE 97 2HG1 ILE 97 5.659 4.593 3.776 701 HG21 ILE 97 1HG2 ILE 97 4.399 0.577 4.395 702 HG22 ILE 97 2HG2 ILE 97 3.190 1.854 4.263 703 HG23 ILE 97 3HG2 ILE 97 4.108 1.358 2.841 704 HD11 ILE 97 1HD1 ILE 97 6.149 3.316 1.743 705 HD12 ILE 97 2HD1 ILE 97 4.432 2.950 1.575 706 HD13 ILE 97 3HD1 ILE 97 4.995 4.617 1.457 707 H ARG 98 H ARG 98 7.354 2.071 6.881 708 HA ARG 98 HA ARG 98 8.447 4.696 7.377 709 HB2 ARG 98 1HB ARG 98 8.629 2.576 8.868 710 HB3 ARG 98 2HB ARG 98 9.940 2.123 7.787 711 HG2 ARG 98 1HG ARG 98 11.092 4.222 8.330 712 HG3 ARG 98 2HG ARG 98 9.789 4.630 9.447 713 HD2 ARG 98 1HD ARG 98 11.486 2.147 9.647 714 HD3 ARG 98 2HD ARG 98 11.802 3.637 10.534 715 HE ARG 98 HE ARG 98 9.195 2.969 11.106 716 HH11 ARG 98 1HH1 ARG 98 12.321 1.482 11.474 717 HH12 ARG 98 2HH1 ARG 98 11.875 0.589 12.890 718 HH21 ARG 98 1HH2 ARG 98 8.595 1.799 12.970 719 HH22 ARG 98 2HH2 ARG 98 9.755 0.769 13.739 720 H VAL 99 H VAL 99 10.007 5.719 6.262 721 HA VAL 99 HA VAL 99 11.307 4.257 4.057 722 HB VAL 99 HB VAL 99 10.134 7.030 4.036 723 HG11 VAL 99 1HG1 VAL 99 11.178 6.916 1.606 724 HG12 VAL 99 2HG1 VAL 99 12.086 7.558 2.977 725 HG13 VAL 99 3HG1 VAL 99 12.365 5.904 2.429 726 HG21 VAL 99 1HG2 VAL 99 8.807 4.928 3.418 727 HG22 VAL 99 2HG2 VAL 99 8.794 6.270 2.274 728 HG23 VAL 99 3HG2 VAL 99 9.822 4.869 1.978 729 H GLY 100 H GLY 100 13.280 3.931 4.987 730 HA2 GLY 100 1HA GLY 100 15.489 5.044 4.912 731 HA3 GLY 100 2HA GLY 100 14.748 6.365 5.801 732 H GLU 101 H GLU 101 15.016 2.821 6.133 733 HA GLU 101 HA GLU 101 15.039 2.985 8.993 734 HB2 GLU 101 1HB GLU 101 14.210 1.044 7.493 735 HB3 GLU 101 2HB GLU 101 15.902 0.574 7.420 736 HG2 GLU 101 1HG GLU 101 15.700 0.791 10.046 737 HG3 GLU 101 2HG GLU 101 14.001 0.485 9.692 738 H GLN 102 H GLN 102 16.749 2.553 10.400 739 HA GLN 102 HA GLN 102 19.404 3.038 9.241 740 HB2 GLN 102 1HB GLN 102 20.061 3.777 11.489 741 HB3 GLN 102 2HB GLN 102 18.683 4.688 10.887 742 HG2 GLN 102 1HG GLN 102 17.178 3.379 12.255 743 HG3 GLN 102 2HG GLN 102 18.520 2.379 12.810 744 HE21 GLN 102 1HE2 GLN 102 16.531 4.602 13.869 745 HE22 GLN 102 2HE2 GLN 102 17.548 5.499 14.938 746 H SER 103 H SER 103 21.201 1.814 9.905 747 HA SER 103 HA SER 103 20.498 -0.893 10.775 748 HB2 SER 103 1HB SER 103 22.806 0.271 9.244 749 HB3 SER 103 2HB SER 103 22.963 -1.302 10.026 750 HG SER 103 HG SER 103 20.707 -0.834 8.446 751 H GLN 104 H GLN 104 22.356 -2.001 12.042 752 HA GLN 104 HA GLN 104 22.992 -0.254 14.316 753 HB2 GLN 104 1HB GLN 104 22.579 -3.223 14.073 754 HB3 GLN 104 2HB GLN 104 23.382 -2.523 15.472 755 HG2 GLN 104 1HG GLN 104 21.449 -1.341 16.116 756 HG3 GLN 104 2HG GLN 104 20.659 -1.643 14.569 757 HE21 GLN 104 1HE2 GLN 104 19.516 -2.195 17.070 758 HE22 GLN 104 2HE2 GLN 104 19.304 -3.904 17.204 759 H ALA 105 H ALA 105 24.896 0.654 13.520 760 HA ALA 105 HA ALA 105 27.033 -0.843 12.426 761 HB1 ALA 105 1HB ALA 105 27.980 1.154 12.090 762 HB2 ALA 105 2HB ALA 105 26.454 1.822 12.671 763 HB3 ALA 105 3HB ALA 105 27.809 1.622 13.782 764 H GLY 106 H GLY 106 29.000 -1.489 13.347 765 HA2 GLY 106 1HA GLY 106 30.494 -1.988 15.069 766 HA3 GLY 106 2HA GLY 106 29.376 -1.265 16.216 767 H SER 107 H SER 107 27.123 -2.630 16.044 768 HA SER 107 HA SER 107 27.876 -5.234 17.064 769 HB2 SER 107 1HB SER 107 26.244 -4.079 18.365 770 HB3 SER 107 2HB SER 107 25.252 -3.743 16.946 771 HG SER 107 HG SER 107 24.782 -5.944 16.807 772 H GLY 108 H GLY 108 28.355 -6.662 15.485 773 HA2 GLY 108 1HA GLY 108 28.029 -8.113 13.737 774 HA3 GLY 108 2HA GLY 108 26.308 -7.869 13.995 775 HA PRO 109 HA PRO 109 27.879 -4.637 10.712 776 HB2 PRO 109 1HB PRO 109 30.164 -5.360 9.437 777 HB3 PRO 109 2HB PRO 109 30.152 -4.348 10.886 778 HG2 PRO 109 1HG PRO 109 30.677 -7.284 10.630 779 HG3 PRO 109 2HG PRO 109 31.529 -6.076 11.610 780 HD2 PRO 109 1HD PRO 109 29.685 -7.762 12.655 781 HD3 PRO 109 2HD PRO 109 29.934 -6.117 13.273 782 H SER 110 H SER 110 27.825 -4.744 8.333 783 HA SER 110 HA SER 110 26.148 -6.750 7.386 784 HB2 SER 110 1HB SER 110 26.208 -4.657 6.231 785 HB3 SER 110 2HB SER 110 27.936 -4.810 5.911 786 HG SER 110 HG SER 110 27.245 -5.609 4.085 787 H SER 111 H SER 111 26.586 -8.832 7.153 788 HA SER 111 HA SER 111 29.236 -9.852 6.926 789 HB2 SER 111 1HB SER 111 28.233 -12.020 6.905 790 HB3 SER 111 2HB SER 111 27.264 -11.033 8.000 791 HG SER 111 HG SER 111 25.737 -10.789 6.362 792 H GLY 112 H GLY 112 30.417 -10.288 5.172 793 HA2 GLY 112 1HA GLY 112 29.105 -10.679 2.591 794 HA3 GLY 112 2HA GLY 112 30.201 -9.312 2.723 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -29.059 2.132 1.554 2 HA2 GLY 1 1HA GLY 1 -30.328 3.896 0.068 3 HA3 GLY 1 2HA GLY 1 -31.117 2.434 -0.505 4 H SER 2 H SER 2 -32.942 1.903 0.480 5 HA SER 2 HA SER 2 -34.264 3.305 2.367 6 HB2 SER 2 1HB SER 2 -35.277 1.433 1.154 7 HB3 SER 2 2HB SER 2 -34.312 0.289 2.086 8 HG SER 2 HG SER 2 -35.403 1.430 3.964 9 H SER 3 H SER 3 -32.455 0.339 3.187 10 HA SER 3 HA SER 3 -32.517 0.937 5.989 11 HB2 SER 3 1HB SER 3 -31.008 -1.160 4.414 12 HB3 SER 3 2HB SER 3 -31.018 -1.063 6.175 13 HG SER 3 HG SER 3 -33.481 -1.081 4.868 14 H GLY 4 H GLY 4 -30.960 1.805 7.269 15 HA2 GLY 4 1HA GLY 4 -29.011 3.486 6.090 16 HA3 GLY 4 2HA GLY 4 -29.155 3.121 7.803 17 H SER 5 H SER 5 -26.845 3.107 7.902 18 HA SER 5 HA SER 5 -25.324 1.217 6.387 19 HB2 SER 5 1HB SER 5 -24.659 2.895 8.811 20 HB3 SER 5 2HB SER 5 -23.493 1.834 8.022 21 HG SER 5 HG SER 5 -24.317 3.128 6.048 22 H SER 6 H SER 6 -24.430 -0.724 7.043 23 HA SER 6 HA SER 6 -25.767 -1.975 9.340 24 HB2 SER 6 1HB SER 6 -24.513 -3.125 6.847 25 HB3 SER 6 2HB SER 6 -24.967 -4.128 8.224 26 HG SER 6 HG SER 6 -26.811 -2.353 7.039 27 H GLY 7 H GLY 7 -22.591 -1.986 7.710 28 HA2 GLY 7 1HA GLY 7 -20.695 -1.365 9.237 29 HA3 GLY 7 2HA GLY 7 -21.374 -2.549 10.344 30 H SER 8 H SER 8 -20.910 -2.733 6.830 31 HA SER 8 HA SER 8 -18.670 -4.507 7.040 32 HB2 SER 8 1HB SER 8 -19.816 -6.471 6.018 33 HB3 SER 8 2HB SER 8 -20.392 -6.107 7.645 34 HG SER 8 HG SER 8 -22.107 -4.885 6.521 35 H ASP 9 H ASP 9 -17.568 -4.659 5.141 36 HA ASP 9 HA ASP 9 -18.849 -3.927 2.640 37 HB2 ASP 9 1HB ASP 9 -16.863 -2.284 2.238 38 HB3 ASP 9 2HB ASP 9 -18.261 -1.739 3.161 39 H ASP 10 H ASP 10 -17.818 -4.741 0.848 40 HA ASP 10 HA ASP 10 -16.278 -7.013 1.075 41 HB2 ASP 10 1HB ASP 10 -16.113 -5.156 -1.298 42 HB3 ASP 10 2HB ASP 10 -15.948 -6.909 -1.281 43 H ALA 11 H ALA 11 -15.254 -3.674 0.964 44 HA ALA 11 HA ALA 11 -12.588 -3.887 0.310 45 HB1 ALA 11 1HB ALA 11 -12.573 -2.004 2.319 46 HB2 ALA 11 2HB ALA 11 -12.925 -1.704 0.617 47 HB3 ALA 11 3HB ALA 11 -14.244 -1.982 1.754 48 H ARG 12 H ARG 12 -14.178 -4.699 3.330 49 HA ARG 12 HA ARG 12 -12.045 -4.866 5.067 50 HB2 ARG 12 1HB ARG 12 -14.378 -6.782 4.888 51 HB3 ARG 12 2HB ARG 12 -13.341 -6.552 6.289 52 HG2 ARG 12 1HG ARG 12 -15.019 -4.366 5.085 53 HG3 ARG 12 2HG ARG 12 -15.557 -5.406 6.405 54 HD2 ARG 12 1HD ARG 12 -13.232 -4.630 7.437 55 HD3 ARG 12 2HD ARG 12 -13.525 -3.244 6.387 56 HE ARG 12 HE ARG 12 -15.858 -3.435 7.663 57 HH11 ARG 12 1HH1 ARG 12 -12.588 -3.540 8.852 58 HH12 ARG 12 2HH1 ARG 12 -12.989 -2.860 10.394 59 HH21 ARG 12 1HH2 ARG 12 -16.398 -2.539 9.689 60 HH22 ARG 12 2HH2 ARG 12 -15.156 -2.292 10.870 61 H ARG 13 H ARG 13 -12.951 -7.042 2.481 62 HA ARG 13 HA ARG 13 -11.270 -9.201 3.237 63 HB2 ARG 13 1HB ARG 13 -12.247 -8.500 0.465 64 HB3 ARG 13 2HB ARG 13 -11.682 -10.071 1.015 65 HG2 ARG 13 1HG ARG 13 -13.609 -10.514 2.176 66 HG3 ARG 13 2HG ARG 13 -13.998 -8.806 2.393 67 HD2 ARG 13 1HD ARG 13 -14.952 -8.619 0.322 68 HD3 ARG 13 2HD ARG 13 -13.952 -9.895 -0.372 69 HE ARG 13 HE ARG 13 -15.657 -11.054 1.512 70 HH11 ARG 13 1HH1 ARG 13 -15.830 -9.450 -1.572 71 HH12 ARG 13 2HH1 ARG 13 -17.263 -10.285 -2.073 72 HH21 ARG 13 1HH2 ARG 13 -17.544 -12.160 0.865 73 HH22 ARG 13 2HH2 ARG 13 -18.237 -11.825 -0.686 74 H LEU 14 H LEU 14 -10.813 -6.332 1.256 75 HA LEU 14 HA LEU 14 -8.465 -6.933 -0.054 76 HB2 LEU 14 1HB LEU 14 -9.094 -4.273 1.209 77 HB3 LEU 14 2HB LEU 14 -8.047 -4.572 -0.176 78 HG LEU 14 HG LEU 14 -11.026 -5.042 -0.164 79 HD11 LEU 14 1HD1 LEU 14 -10.975 -2.759 -0.043 80 HD12 LEU 14 2HD1 LEU 14 -10.805 -2.984 -1.784 81 HD13 LEU 14 3HD1 LEU 14 -9.385 -2.641 -0.796 82 HD21 LEU 14 1HD2 LEU 14 -10.228 -4.701 -2.746 83 HD22 LEU 14 2HD2 LEU 14 -10.471 -6.262 -1.961 84 HD23 LEU 14 3HD2 LEU 14 -8.853 -5.565 -2.057 85 H THR 15 H THR 15 -6.315 -6.933 0.436 86 HA THR 15 HA THR 15 -5.329 -6.005 2.974 87 HB THR 15 HB THR 15 -6.190 -8.145 3.715 88 HG1 THR 15 1HG THR 15 -3.387 -8.473 3.388 89 HG21 THR 15 1HG2 THR 15 -4.775 -9.154 1.282 90 HG22 THR 15 2HG2 THR 15 -6.390 -9.537 1.880 91 HG23 THR 15 3HG2 THR 15 -4.970 -10.214 2.678 92 H VAL 16 H VAL 16 -2.982 -6.248 3.163 93 HA VAL 16 HA VAL 16 -1.649 -6.738 0.585 94 HB VAL 16 HB VAL 16 -1.033 -4.436 2.444 95 HG11 VAL 16 1HG1 VAL 16 0.125 -5.163 -0.246 96 HG12 VAL 16 2HG1 VAL 16 0.512 -3.718 0.690 97 HG13 VAL 16 3HG1 VAL 16 0.943 -5.313 1.309 98 HG21 VAL 16 1HG2 VAL 16 -2.779 -3.474 1.420 99 HG22 VAL 16 2HG2 VAL 16 -1.707 -3.355 0.024 100 HG23 VAL 16 3HG2 VAL 16 -2.837 -4.703 0.156 101 H THR 17 H THR 17 0.345 -7.690 0.679 102 HA THR 17 HA THR 17 1.417 -8.298 3.354 103 HB THR 17 HB THR 17 1.315 -10.241 1.038 104 HG1 THR 17 1HG THR 17 -0.410 -11.103 1.996 105 HG21 THR 17 1HG2 THR 17 1.820 -11.411 3.607 106 HG22 THR 17 2HG2 THR 17 2.999 -10.138 3.295 107 HG23 THR 17 3HG2 THR 17 2.809 -11.465 2.149 108 H SER 18 H SER 18 2.278 -8.698 -0.089 109 HA SER 18 HA SER 18 4.970 -8.784 0.022 110 HB2 SER 18 1HB SER 18 3.087 -7.550 -1.930 111 HB3 SER 18 2HB SER 18 4.804 -7.197 -2.117 112 HG SER 18 HG SER 18 4.578 -9.029 -3.233 113 H LEU 19 H LEU 19 3.025 -5.830 0.237 114 HA LEU 19 HA LEU 19 4.973 -3.902 0.225 115 HB2 LEU 19 1HB LEU 19 2.663 -3.302 0.313 116 HB3 LEU 19 2HB LEU 19 2.467 -4.079 1.883 117 HG LEU 19 HG LEU 19 4.237 -2.284 2.633 118 HD11 LEU 19 1HD1 LEU 19 4.448 -0.394 1.383 119 HD12 LEU 19 2HD1 LEU 19 2.879 -0.596 0.604 120 HD13 LEU 19 3HD1 LEU 19 4.253 -1.570 0.083 121 HD21 LEU 19 1HD2 LEU 19 1.485 -1.239 2.112 122 HD22 LEU 19 2HD2 LEU 19 2.499 -1.066 3.545 123 HD23 LEU 19 3HD2 LEU 19 1.720 -2.610 3.196 124 H GLN 20 H GLN 20 6.421 -3.052 1.658 125 HA GLN 20 HA GLN 20 6.990 -4.691 4.018 126 HB2 GLN 20 1HB GLN 20 8.715 -4.053 2.167 127 HB3 GLN 20 2HB GLN 20 8.784 -2.510 3.009 128 HG2 GLN 20 1HG GLN 20 9.542 -3.554 5.013 129 HG3 GLN 20 2HG GLN 20 9.264 -5.161 4.343 130 HE21 GLN 20 1HE2 GLN 20 11.320 -5.908 4.480 131 HE22 GLN 20 2HE2 GLN 20 12.644 -5.257 3.581 132 H GLU 21 H GLU 21 5.686 -3.952 5.626 133 HA GLU 21 HA GLU 21 4.716 -1.489 6.167 134 HB2 GLU 21 1HB GLU 21 5.606 -3.722 7.928 135 HB3 GLU 21 2HB GLU 21 5.206 -2.188 8.686 136 HG2 GLU 21 1HG GLU 21 2.982 -2.281 7.971 137 HG3 GLU 21 2HG GLU 21 3.328 -3.534 6.780 138 H THR 22 H THR 22 7.926 -2.655 7.149 139 HA THR 22 HA THR 22 8.888 0.097 7.155 140 HB THR 22 HB THR 22 9.937 -0.074 9.337 141 HG1 THR 22 1HG THR 22 9.988 -2.504 9.174 142 HG21 THR 22 1HG2 THR 22 8.037 0.239 10.684 143 HG22 THR 22 2HG2 THR 22 7.077 -0.904 9.745 144 HG23 THR 22 3HG2 THR 22 7.499 0.664 9.060 145 H GLY 23 H GLY 23 10.875 0.252 6.306 146 HA2 GLY 23 1HA GLY 23 13.172 -0.907 6.531 147 HA3 GLY 23 2HA GLY 23 12.322 -2.259 5.799 148 H LEU 24 H LEU 24 10.705 -0.455 4.101 149 HA LEU 24 HA LEU 24 11.986 -0.583 1.730 150 HB2 LEU 24 1HB LEU 24 10.130 1.569 2.720 151 HB3 LEU 24 2HB LEU 24 10.650 1.444 1.040 152 HG LEU 24 HG LEU 24 8.971 -0.530 2.581 153 HD11 LEU 24 1HD1 LEU 24 8.171 0.741 0.017 154 HD12 LEU 24 2HD1 LEU 24 8.089 1.704 1.492 155 HD13 LEU 24 3HD1 LEU 24 7.179 0.198 1.371 156 HD21 LEU 24 1HD2 LEU 24 10.274 -0.726 -0.120 157 HD22 LEU 24 2HD2 LEU 24 8.845 -1.667 0.309 158 HD23 LEU 24 3HD2 LEU 24 10.342 -1.870 1.220 159 H LYS 25 H LYS 25 13.382 0.647 0.503 160 HA LYS 25 HA LYS 25 15.145 2.396 2.017 161 HB2 LYS 25 1HB LYS 25 15.304 0.942 -0.583 162 HB3 LYS 25 2HB LYS 25 16.313 2.366 -0.367 163 HG2 LYS 25 1HG LYS 25 17.456 1.397 1.461 164 HG3 LYS 25 2HG LYS 25 16.283 0.084 1.586 165 HD2 LYS 25 1HD LYS 25 17.851 0.470 -0.934 166 HD3 LYS 25 2HD LYS 25 18.580 -0.351 0.448 167 HE2 LYS 25 1HE LYS 25 17.668 -2.099 -0.778 168 HE3 LYS 25 2HE LYS 25 16.434 -1.783 0.441 169 HZ1 LYS 25 1HZ LYS 25 14.988 -1.016 -1.090 170 HZ2 LYS 25 2HZ LYS 25 15.895 -1.982 -2.141 171 HZ3 LYS 25 3HZ LYS 25 16.185 -0.317 -2.060 172 H VAL 26 H VAL 26 15.987 4.383 0.863 173 HA VAL 26 HA VAL 26 13.701 5.980 0.040 174 HB VAL 26 HB VAL 26 16.542 6.924 0.409 175 HG11 VAL 26 1HG1 VAL 26 13.979 8.466 0.726 176 HG12 VAL 26 2HG1 VAL 26 15.624 9.093 0.596 177 HG13 VAL 26 3HG1 VAL 26 14.846 8.357 -0.806 178 HG21 VAL 26 1HG2 VAL 26 15.157 5.721 2.386 179 HG22 VAL 26 2HG2 VAL 26 16.313 7.026 2.652 180 HG23 VAL 26 3HG2 VAL 26 14.588 7.380 2.567 181 H ASN 27 H ASN 27 13.645 7.238 -1.862 182 HA ASN 27 HA ASN 27 13.769 7.465 -4.127 183 HB2 ASN 27 1HB ASN 27 15.926 8.009 -4.993 184 HB3 ASN 27 2HB ASN 27 15.899 8.563 -3.321 185 HD21 ASN 27 1HD2 ASN 27 17.362 7.794 -1.923 186 HD22 ASN 27 2HD2 ASN 27 18.545 6.592 -2.300 187 H GLN 28 H GLN 28 13.435 4.751 -3.081 188 HA GLN 28 HA GLN 28 14.611 3.234 -5.317 189 HB2 GLN 28 1HB GLN 28 13.953 2.375 -2.505 190 HB3 GLN 28 2HB GLN 28 14.227 1.219 -3.801 191 HG2 GLN 28 1HG GLN 28 16.235 3.327 -3.074 192 HG3 GLN 28 2HG GLN 28 16.190 1.746 -2.295 193 HE21 GLN 28 1HE2 GLN 28 18.178 1.117 -3.067 194 HE22 GLN 28 2HE2 GLN 28 18.464 0.746 -4.730 195 HA PRO 29 HA PRO 29 10.507 2.552 -6.760 196 HB2 PRO 29 1HB PRO 29 10.969 0.360 -8.294 197 HB3 PRO 29 2HB PRO 29 11.472 1.987 -8.767 198 HG2 PRO 29 1HG PRO 29 13.084 -0.208 -7.523 199 HG3 PRO 29 2HG PRO 29 13.521 0.890 -8.846 200 HD2 PRO 29 1HD PRO 29 14.370 1.264 -6.302 201 HD3 PRO 29 2HD PRO 29 14.049 2.614 -7.409 202 H ALA 30 H ALA 30 9.557 1.976 -4.736 203 HA ALA 30 HA ALA 30 9.582 -0.859 -4.020 204 HB1 ALA 30 1HB ALA 30 9.838 0.269 -2.058 205 HB2 ALA 30 2HB ALA 30 8.889 1.654 -2.599 206 HB3 ALA 30 3HB ALA 30 8.078 0.170 -2.100 207 H SER 31 H SER 31 8.042 -2.170 -4.725 208 HA SER 31 HA SER 31 5.358 -1.074 -5.220 209 HB2 SER 31 1HB SER 31 5.141 -2.301 -7.268 210 HB3 SER 31 2HB SER 31 6.660 -1.408 -7.359 211 HG SER 31 HG SER 31 7.266 -3.390 -7.939 212 H PHE 32 H PHE 32 3.629 -2.571 -5.000 213 HA PHE 32 HA PHE 32 4.228 -5.205 -3.925 214 HB2 PHE 32 1HB PHE 32 2.537 -4.647 -2.011 215 HB3 PHE 32 2HB PHE 32 4.225 -4.174 -1.846 216 HD1 PHE 32 2HD PHE 32 4.761 -1.762 -2.816 217 HD2 PHE 32 1HD PHE 32 0.932 -3.090 -1.516 218 HE1 PHE 32 2HE PHE 32 4.073 0.574 -2.467 219 HE2 PHE 32 1HE PHE 32 0.237 -0.756 -1.166 220 HZ PHE 32 HZ PHE 32 1.809 1.080 -1.640 221 H ALA 33 H ALA 33 1.951 -6.205 -3.216 222 HA ALA 33 HA ALA 33 0.019 -5.538 -5.340 223 HB1 ALA 33 1HB ALA 33 -0.528 -8.031 -5.297 224 HB2 ALA 33 2HB ALA 33 0.982 -7.546 -6.070 225 HB3 ALA 33 3HB ALA 33 1.003 -8.229 -4.444 226 H VAL 34 H VAL 34 -2.121 -5.521 -4.801 227 HA VAL 34 HA VAL 34 -2.749 -5.963 -1.955 228 HB VAL 34 HB VAL 34 -4.091 -4.080 -3.900 229 HG11 VAL 34 1HG1 VAL 34 -5.024 -3.296 -1.540 230 HG12 VAL 34 2HG1 VAL 34 -5.826 -4.542 -2.499 231 HG13 VAL 34 3HG1 VAL 34 -4.771 -5.000 -1.162 232 HG21 VAL 34 1HG2 VAL 34 -2.990 -2.821 -1.580 233 HG22 VAL 34 2HG2 VAL 34 -1.739 -3.772 -2.379 234 HG23 VAL 34 3HG2 VAL 34 -2.618 -2.537 -3.280 235 H GLN 35 H GLN 35 -3.587 -7.975 -1.874 236 HA GLN 35 HA GLN 35 -5.196 -9.112 -3.921 237 HB2 GLN 35 1HB GLN 35 -3.794 -10.352 -2.197 238 HB3 GLN 35 2HB GLN 35 -5.085 -10.023 -1.049 239 HG2 GLN 35 1HG GLN 35 -6.566 -11.436 -2.100 240 HG3 GLN 35 2HG GLN 35 -5.727 -11.337 -3.646 241 HE21 GLN 35 1HE2 GLN 35 -4.523 -13.006 -4.191 242 HE22 GLN 35 2HE2 GLN 35 -3.900 -14.205 -3.115 243 H LEU 36 H LEU 36 -7.398 -9.417 -4.037 244 HA LEU 36 HA LEU 36 -8.993 -7.501 -2.550 245 HB2 LEU 36 1HB LEU 36 -10.008 -9.428 -4.615 246 HB3 LEU 36 2HB LEU 36 -10.693 -7.879 -4.131 247 HG LEU 36 HG LEU 36 -8.083 -8.170 -5.610 248 HD11 LEU 36 1HD1 LEU 36 -9.160 -8.326 -7.547 249 HD12 LEU 36 2HD1 LEU 36 -10.282 -7.038 -7.109 250 HD13 LEU 36 3HD1 LEU 36 -10.612 -8.700 -6.618 251 HD21 LEU 36 1HD2 LEU 36 -7.935 -5.925 -5.588 252 HD22 LEU 36 2HD2 LEU 36 -8.967 -6.064 -4.164 253 HD23 LEU 36 3HD2 LEU 36 -9.678 -5.703 -5.738 254 H ASN 37 H ASN 37 -8.751 -11.001 -2.972 255 HA ASN 37 HA ASN 37 -9.524 -12.745 -1.735 256 HB2 ASN 37 1HB ASN 37 -9.847 -10.592 0.367 257 HB3 ASN 37 2HB ASN 37 -10.009 -12.318 0.675 258 HD21 ASN 37 1HD2 ASN 37 -7.814 -9.741 -0.132 259 HD22 ASN 37 2HD2 ASN 37 -6.360 -10.596 0.241 260 H GLY 38 H GLY 38 -11.334 -11.291 -3.449 261 HA2 GLY 38 1HA GLY 38 -13.610 -12.276 -3.692 262 HA3 GLY 38 2HA GLY 38 -13.876 -11.791 -2.024 263 H ALA 39 H ALA 39 -12.551 -9.232 -2.285 264 HA ALA 39 HA ALA 39 -14.717 -7.623 -2.983 265 HB1 ALA 39 1HB ALA 39 -13.460 -5.937 -2.208 266 HB2 ALA 39 2HB ALA 39 -12.326 -7.207 -1.747 267 HB3 ALA 39 3HB ALA 39 -12.103 -6.333 -3.263 268 H ARG 40 H ARG 40 -15.256 -6.437 -4.783 269 HA ARG 40 HA ARG 40 -13.636 -6.849 -7.201 270 HB2 ARG 40 1HB ARG 40 -16.646 -7.087 -7.032 271 HB3 ARG 40 2HB ARG 40 -15.700 -7.156 -8.513 272 HG2 ARG 40 1HG ARG 40 -15.252 -9.081 -6.257 273 HG3 ARG 40 2HG ARG 40 -16.469 -9.359 -7.504 274 HD2 ARG 40 1HD ARG 40 -14.865 -9.519 -9.198 275 HD3 ARG 40 2HD ARG 40 -13.623 -8.742 -8.216 276 HE ARG 40 HE ARG 40 -14.250 -11.046 -6.874 277 HH11 ARG 40 1HH1 ARG 40 -13.128 -10.255 -10.073 278 HH12 ARG 40 2HH1 ARG 40 -12.257 -11.739 -10.276 279 HH21 ARG 40 1HH2 ARG 40 -13.107 -13.003 -7.129 280 HH22 ARG 40 2HH2 ARG 40 -12.247 -13.302 -8.601 281 H GLY 41 H GLY 41 -12.866 -4.832 -7.495 282 HA2 GLY 41 1HA GLY 41 -14.570 -2.801 -8.472 283 HA3 GLY 41 2HA GLY 41 -14.133 -2.440 -6.809 284 H VAL 42 H VAL 42 -12.859 -0.678 -7.173 285 HA VAL 42 HA VAL 42 -10.375 -1.178 -8.679 286 HB VAL 42 HB VAL 42 -11.761 1.497 -8.491 287 HG11 VAL 42 1HG1 VAL 42 -9.769 0.892 -10.585 288 HG12 VAL 42 2HG1 VAL 42 -10.046 2.378 -9.674 289 HG13 VAL 42 3HG1 VAL 42 -9.155 1.044 -8.939 290 HG21 VAL 42 1HG2 VAL 42 -13.215 0.367 -9.872 291 HG22 VAL 42 2HG2 VAL 42 -12.051 0.990 -11.041 292 HG23 VAL 42 3HG2 VAL 42 -11.957 -0.689 -10.513 293 H ILE 43 H ILE 43 -8.530 -0.781 -7.619 294 HA ILE 43 HA ILE 43 -8.720 0.285 -4.903 295 HB ILE 43 HB ILE 43 -6.418 -1.110 -6.275 296 HG12 ILE 43 1HG1 ILE 43 -8.623 -2.380 -5.691 297 HG13 ILE 43 2HG1 ILE 43 -7.074 -3.089 -5.245 298 HG21 ILE 43 1HG2 ILE 43 -5.435 0.209 -4.624 299 HG22 ILE 43 2HG2 ILE 43 -6.781 -0.018 -3.509 300 HG23 ILE 43 3HG2 ILE 43 -5.667 -1.348 -3.828 301 HD11 ILE 43 1HD1 ILE 43 -7.374 -2.645 -3.000 302 HD12 ILE 43 2HD1 ILE 43 -8.564 -1.379 -3.304 303 HD13 ILE 43 3HD1 ILE 43 -8.999 -3.072 -3.534 304 H ASP 44 H ASP 44 -8.196 2.318 -4.493 305 HA ASP 44 HA ASP 44 -6.432 3.730 -6.381 306 HB2 ASP 44 1HB ASP 44 -8.825 4.569 -4.821 307 HB3 ASP 44 2HB ASP 44 -7.556 5.765 -5.068 308 H ALA 45 H ALA 45 -4.448 4.097 -5.672 309 HA ALA 45 HA ALA 45 -3.997 4.293 -2.768 310 HB1 ALA 45 1HB ALA 45 -2.444 2.742 -3.104 311 HB2 ALA 45 2HB ALA 45 -2.630 2.854 -4.854 312 HB3 ALA 45 3HB ALA 45 -1.525 3.942 -4.014 313 H ARG 46 H ARG 46 -2.918 6.018 -1.916 314 HA ARG 46 HA ARG 46 -1.755 8.008 -3.702 315 HB2 ARG 46 1HB ARG 46 -4.158 8.453 -1.964 316 HB3 ARG 46 2HB ARG 46 -3.043 9.777 -2.275 317 HG2 ARG 46 1HG ARG 46 -4.121 8.216 -4.572 318 HG3 ARG 46 2HG ARG 46 -5.140 9.421 -3.783 319 HD2 ARG 46 1HD ARG 46 -3.241 11.053 -4.098 320 HD3 ARG 46 2HD ARG 46 -2.477 9.839 -5.123 321 HE ARG 46 HE ARG 46 -4.715 11.514 -5.791 322 HH11 ARG 46 1HH1 ARG 46 -3.068 8.525 -6.477 323 HH12 ARG 46 2HH1 ARG 46 -3.691 8.400 -8.089 324 HH21 ARG 46 1HH2 ARG 46 -5.542 11.361 -7.911 325 HH22 ARG 46 2HH2 ARG 46 -5.098 10.015 -8.904 326 H VAL 47 H VAL 47 0.132 8.634 -2.901 327 HA VAL 47 HA VAL 47 0.709 8.142 -0.075 328 HB VAL 47 HB VAL 47 3.079 8.570 -0.723 329 HG11 VAL 47 1HG1 VAL 47 1.392 6.375 -1.720 330 HG12 VAL 47 2HG1 VAL 47 2.991 6.499 -2.458 331 HG13 VAL 47 3HG1 VAL 47 2.836 6.330 -0.708 332 HG21 VAL 47 1HG2 VAL 47 2.046 9.820 -2.900 333 HG22 VAL 47 2HG2 VAL 47 3.712 9.257 -2.769 334 HG23 VAL 47 3HG2 VAL 47 2.507 8.263 -3.587 335 H HIS 48 H HIS 48 1.419 9.719 1.327 336 HA HIS 48 HA HIS 48 1.160 12.495 0.370 337 HB2 HIS 48 1HB HIS 48 0.448 11.310 3.058 338 HB3 HIS 48 2HB HIS 48 0.499 13.041 2.735 339 HD1 HIS 48 1HD HIS 48 -1.647 14.036 2.011 340 HD2 HIS 48 2HD HIS 48 -1.505 9.952 1.262 341 HE1 HIS 48 1HE HIS 48 -3.922 13.435 1.125 342 HE2 HIS 48 2HE HIS 48 -3.840 10.945 0.760 343 H THR 49 H THR 49 3.104 13.390 0.210 344 HA THR 49 HA THR 49 5.405 12.452 1.571 345 HB THR 49 HB THR 49 6.472 14.573 0.719 346 HG1 THR 49 1HG THR 49 5.218 15.871 -0.646 347 HG21 THR 49 1HG2 THR 49 6.602 13.809 -1.505 348 HG22 THR 49 2HG2 THR 49 4.970 13.141 -1.458 349 HG23 THR 49 3HG2 THR 49 6.268 12.366 -0.550 350 HA PRO 50 HA PRO 50 5.192 14.567 5.420 351 HB2 PRO 50 1HB PRO 50 7.839 14.820 5.968 352 HB3 PRO 50 2HB PRO 50 6.980 13.278 6.069 353 HG2 PRO 50 1HG PRO 50 8.712 14.340 3.871 354 HG3 PRO 50 2HG PRO 50 8.658 12.709 4.564 355 HD2 PRO 50 1HD PRO 50 7.447 13.339 2.225 356 HD3 PRO 50 2HD PRO 50 6.802 12.112 3.334 357 H SER 51 H SER 51 6.316 15.999 2.608 358 HA SER 51 HA SER 51 7.196 18.483 3.815 359 HB2 SER 51 1HB SER 51 8.091 17.414 1.627 360 HB3 SER 51 2HB SER 51 6.649 18.104 0.881 361 HG SER 51 HG SER 51 7.533 20.090 2.156 362 H GLY 52 H GLY 52 4.560 17.484 1.626 363 HA2 GLY 52 1HA GLY 52 2.351 18.437 2.637 364 HA3 GLY 52 2HA GLY 52 3.140 19.966 2.281 365 H ALA 53 H ALA 53 3.429 17.100 0.278 366 HA ALA 53 HA ALA 53 1.727 18.393 -1.748 367 HB1 ALA 53 1HB ALA 53 3.294 17.566 -3.481 368 HB2 ALA 53 2HB ALA 53 4.010 18.767 -2.405 369 HB3 ALA 53 3HB ALA 53 4.392 17.058 -2.197 370 H VAL 54 H VAL 54 0.193 17.127 -2.583 371 HA VAL 54 HA VAL 54 -0.009 14.383 -1.707 372 HB VAL 54 HB VAL 54 -1.833 16.001 -3.492 373 HG11 VAL 54 1HG1 VAL 54 -3.330 13.992 -2.376 374 HG12 VAL 54 2HG1 VAL 54 -2.692 14.004 -4.021 375 HG13 VAL 54 3HG1 VAL 54 -1.805 13.183 -2.736 376 HG21 VAL 54 1HG2 VAL 54 -1.608 15.648 -0.560 377 HG22 VAL 54 2HG2 VAL 54 -2.147 17.042 -1.496 378 HG23 VAL 54 3HG2 VAL 54 -3.232 15.675 -1.246 379 H GLU 55 H GLU 55 1.292 12.979 -2.733 380 HA GLU 55 HA GLU 55 1.791 13.216 -5.580 381 HB2 GLU 55 1HB GLU 55 2.897 11.596 -3.344 382 HB3 GLU 55 2HB GLU 55 3.018 10.926 -4.964 383 HG2 GLU 55 1HG GLU 55 4.973 12.311 -4.077 384 HG3 GLU 55 2HG GLU 55 4.394 12.638 -5.710 385 H GLU 56 H GLU 56 1.634 11.205 -6.941 386 HA GLU 56 HA GLU 56 -0.878 9.790 -6.331 387 HB2 GLU 56 1HB GLU 56 -1.405 9.750 -8.646 388 HB3 GLU 56 2HB GLU 56 -0.912 11.397 -8.280 389 HG2 GLU 56 1HG GLU 56 0.255 11.089 -10.193 390 HG3 GLU 56 2HG GLU 56 1.444 10.480 -9.043 391 H CYS 57 H CYS 57 -0.999 7.592 -6.688 392 HA CYS 57 HA CYS 57 1.561 6.218 -6.775 393 HB2 CYS 57 1HB CYS 57 0.491 4.395 -5.815 394 HB3 CYS 57 2HB CYS 57 -0.434 5.742 -5.161 395 HG CYS 57 HG CYS 57 -1.609 4.433 -8.030 396 H TYR 58 H TYR 58 1.719 4.179 -8.065 397 HA TYR 58 HA TYR 58 0.625 4.651 -10.752 398 HB2 TYR 58 1HB TYR 58 3.044 4.679 -10.692 399 HB3 TYR 58 2HB TYR 58 3.081 3.131 -9.856 400 HD1 TYR 58 2HD TYR 58 0.612 3.494 -12.470 401 HD2 TYR 58 1HD TYR 58 4.635 2.368 -11.661 402 HE1 TYR 58 2HE TYR 58 0.716 2.332 -14.635 403 HE2 TYR 58 1HE TYR 58 4.750 1.204 -13.824 404 HH TYR 58 HH TYR 58 1.925 1.022 -15.965 405 H VAL 59 H VAL 59 -1.306 3.577 -10.693 406 HA VAL 59 HA VAL 59 -1.131 0.655 -10.437 407 HB VAL 59 HB VAL 59 -2.138 1.263 -8.381 408 HG11 VAL 59 1HG1 VAL 59 -4.393 2.791 -9.506 409 HG12 VAL 59 2HG1 VAL 59 -3.485 3.035 -8.012 410 HG13 VAL 59 3HG1 VAL 59 -2.824 3.594 -9.549 411 HG21 VAL 59 1HG2 VAL 59 -3.544 -0.173 -10.348 412 HG22 VAL 59 2HG2 VAL 59 -3.695 -0.309 -8.596 413 HG23 VAL 59 3HG2 VAL 59 -4.739 0.798 -9.488 414 H SER 60 H SER 60 -2.031 -0.415 -12.083 415 HA SER 60 HA SER 60 -3.365 1.113 -14.164 416 HB2 SER 60 1HB SER 60 -1.531 -0.596 -14.608 417 HB3 SER 60 2HB SER 60 -2.719 -1.837 -14.212 418 HG SER 60 HG SER 60 -2.554 -0.168 -16.431 419 H GLU 61 H GLU 61 -5.142 -0.337 -15.350 420 HA GLU 61 HA GLU 61 -7.372 -0.368 -13.599 421 HB2 GLU 61 1HB GLU 61 -6.964 -1.234 -16.451 422 HB3 GLU 61 2HB GLU 61 -8.500 -1.477 -15.632 423 HG2 GLU 61 1HG GLU 61 -8.511 0.554 -16.968 424 HG3 GLU 61 2HG GLU 61 -8.703 0.910 -15.252 425 H LEU 62 H LEU 62 -8.846 -2.256 -13.360 426 HA LEU 62 HA LEU 62 -7.383 -4.481 -12.294 427 HB2 LEU 62 1HB LEU 62 -9.423 -3.554 -11.244 428 HB3 LEU 62 2HB LEU 62 -10.359 -4.128 -12.623 429 HG LEU 62 HG LEU 62 -9.313 -6.453 -11.898 430 HD11 LEU 62 1HD1 LEU 62 -8.972 -6.687 -9.572 431 HD12 LEU 62 2HD1 LEU 62 -9.533 -5.047 -9.249 432 HD13 LEU 62 3HD1 LEU 62 -7.996 -5.306 -10.075 433 HD21 LEU 62 1HD2 LEU 62 -11.741 -4.981 -11.097 434 HD22 LEU 62 2HD2 LEU 62 -11.369 -6.434 -10.168 435 HD23 LEU 62 3HD2 LEU 62 -11.569 -6.532 -11.919 436 H ASP 63 H ASP 63 -6.737 -6.191 -13.404 437 HA ASP 63 HA ASP 63 -8.389 -7.141 -15.642 438 HB2 ASP 63 1HB ASP 63 -5.400 -6.708 -15.644 439 HB3 ASP 63 2HB ASP 63 -6.224 -7.716 -16.831 440 H SER 64 H SER 64 -5.899 -7.861 -13.249 441 HA SER 64 HA SER 64 -6.607 -10.714 -13.458 442 HB2 SER 64 1HB SER 64 -4.267 -10.323 -14.013 443 HB3 SER 64 2HB SER 64 -4.029 -9.444 -12.503 444 HG SER 64 HG SER 64 -3.705 -11.284 -11.566 445 H ASP 65 H ASP 65 -8.295 -9.145 -12.009 446 HA ASP 65 HA ASP 65 -9.130 -8.680 -9.918 447 HB2 ASP 65 1HB ASP 65 -9.581 -11.106 -10.291 448 HB3 ASP 65 2HB ASP 65 -8.099 -11.479 -9.416 449 H LYS 66 H LYS 66 -6.456 -7.738 -10.229 450 HA LYS 66 HA LYS 66 -5.754 -7.477 -7.442 451 HB2 LYS 66 1HB LYS 66 -3.857 -8.764 -9.409 452 HB3 LYS 66 2HB LYS 66 -3.355 -8.109 -7.856 453 HG2 LYS 66 1HG LYS 66 -5.142 -9.691 -6.871 454 HG3 LYS 66 2HG LYS 66 -5.047 -10.505 -8.435 455 HD2 LYS 66 1HD LYS 66 -3.479 -11.671 -7.209 456 HD3 LYS 66 2HD LYS 66 -2.476 -10.446 -7.989 457 HE2 LYS 66 1HE LYS 66 -2.981 -9.064 -5.839 458 HE3 LYS 66 2HE LYS 66 -3.374 -10.636 -5.144 459 HZ1 LYS 66 1HZ LYS 66 -0.786 -9.870 -6.382 460 HZ2 LYS 66 2HZ LYS 66 -1.157 -11.406 -5.782 461 HZ3 LYS 66 3HZ LYS 66 -1.077 -10.084 -4.730 462 H HIS 67 H HIS 67 -4.006 -5.870 -7.122 463 HA HIS 67 HA HIS 67 -3.729 -4.032 -9.401 464 HB2 HIS 67 1HB HIS 67 -4.544 -3.358 -6.575 465 HB3 HIS 67 2HB HIS 67 -3.923 -2.150 -7.697 466 HD1 HIS 67 1HD HIS 67 -5.460 -1.442 -9.648 467 HD2 HIS 67 2HD HIS 67 -7.150 -4.243 -7.087 468 HE1 HIS 67 1HE HIS 67 -7.907 -1.492 -10.227 469 HE2 HIS 67 2HE HIS 67 -8.923 -3.131 -8.607 470 H THR 68 H THR 68 -1.804 -2.909 -9.539 471 HA THR 68 HA THR 68 0.269 -3.687 -7.590 472 HB THR 68 HB THR 68 0.636 -3.206 -10.554 473 HG1 THR 68 1HG THR 68 1.178 -5.648 -9.273 474 HG21 THR 68 1HG2 THR 68 2.618 -2.510 -9.429 475 HG22 THR 68 2HG2 THR 68 2.937 -4.120 -10.072 476 HG23 THR 68 3HG2 THR 68 2.578 -3.910 -8.359 477 H ILE 69 H ILE 69 0.941 -2.014 -6.433 478 HA ILE 69 HA ILE 69 0.739 0.685 -7.565 479 HB ILE 69 HB ILE 69 1.426 0.139 -4.701 480 HG12 ILE 69 1HG1 ILE 69 -0.519 -1.234 -5.026 481 HG13 ILE 69 2HG1 ILE 69 -1.036 0.239 -4.212 482 HG21 ILE 69 1HG2 ILE 69 -0.411 2.296 -5.508 483 HG22 ILE 69 2HG2 ILE 69 0.933 2.314 -4.368 484 HG23 ILE 69 3HG2 ILE 69 1.244 2.435 -6.099 485 HD11 ILE 69 1HD1 ILE 69 -1.366 -0.425 -7.126 486 HD12 ILE 69 2HD1 ILE 69 -2.631 -0.335 -5.901 487 HD13 ILE 69 3HD1 ILE 69 -1.778 1.126 -6.397 488 H ARG 70 H ARG 70 2.481 2.011 -7.794 489 HA ARG 70 HA ARG 70 5.091 1.092 -6.844 490 HB2 ARG 70 1HB ARG 70 4.597 0.366 -9.272 491 HB3 ARG 70 2HB ARG 70 4.783 2.069 -9.670 492 HG2 ARG 70 1HG ARG 70 7.050 1.931 -8.531 493 HG3 ARG 70 2HG ARG 70 6.836 0.179 -8.570 494 HD2 ARG 70 1HD ARG 70 8.095 0.777 -10.497 495 HD3 ARG 70 2HD ARG 70 6.467 0.375 -11.042 496 HE ARG 70 HE ARG 70 6.447 3.090 -10.653 497 HH11 ARG 70 1HH1 ARG 70 8.291 0.852 -12.579 498 HH12 ARG 70 2HH1 ARG 70 8.590 1.990 -13.850 499 HH21 ARG 70 1HH2 ARG 70 6.834 4.598 -12.320 500 HH22 ARG 70 2HH2 ARG 70 7.761 4.121 -13.702 501 H PHE 71 H PHE 71 6.139 2.699 -5.886 502 HA PHE 71 HA PHE 71 6.086 5.382 -6.935 503 HB2 PHE 71 1HB PHE 71 5.333 6.341 -4.703 504 HB3 PHE 71 2HB PHE 71 4.079 5.591 -5.686 505 HD1 PHE 71 1HD PHE 71 6.529 4.626 -3.039 506 HD2 PHE 71 2HD PHE 71 2.596 4.213 -4.616 507 HE1 PHE 71 1HE PHE 71 5.928 3.170 -1.150 508 HE2 PHE 71 2HE PHE 71 1.989 2.756 -2.728 509 HZ PHE 71 HZ PHE 71 3.656 2.233 -0.992 510 H ILE 72 H ILE 72 7.701 6.726 -6.040 511 HA ILE 72 HA ILE 72 9.650 5.304 -4.345 512 HB ILE 72 HB ILE 72 10.212 7.281 -6.557 513 HG12 ILE 72 1HG1 ILE 72 11.126 4.416 -6.386 514 HG13 ILE 72 2HG1 ILE 72 9.584 4.849 -7.115 515 HG21 ILE 72 1HG2 ILE 72 12.606 6.158 -5.838 516 HG22 ILE 72 2HG2 ILE 72 12.039 7.757 -5.361 517 HG23 ILE 72 3HG2 ILE 72 11.802 6.381 -4.284 518 HD11 ILE 72 1HD1 ILE 72 10.659 6.119 -8.811 519 HD12 ILE 72 2HD1 ILE 72 12.223 5.974 -8.007 520 HD13 ILE 72 3HD1 ILE 72 11.462 4.552 -8.721 521 HA PRO 73 HA PRO 73 8.891 8.696 -1.566 522 HB2 PRO 73 1HB PRO 73 10.714 7.946 0.301 523 HB3 PRO 73 2HB PRO 73 9.141 7.159 0.124 524 HG2 PRO 73 1HG PRO 73 11.820 6.286 -0.887 525 HG3 PRO 73 2HG PRO 73 10.543 5.321 -0.123 526 HD2 PRO 73 1HD PRO 73 10.932 5.363 -2.803 527 HD3 PRO 73 2HD PRO 73 9.326 5.157 -2.074 528 H HIS 74 H HIS 74 9.816 10.195 -3.162 529 HA HIS 74 HA HIS 74 12.400 10.747 -3.736 530 HB2 HIS 74 1HB HIS 74 10.049 12.536 -3.260 531 HB3 HIS 74 2HB HIS 74 11.630 13.258 -3.545 532 HD1 HIS 74 1HD HIS 74 10.090 10.250 -5.280 533 HD2 HIS 74 2HD HIS 74 11.426 14.094 -6.121 534 HE1 HIS 74 1HE HIS 74 9.943 10.481 -7.780 535 HE2 HIS 74 2HE HIS 74 10.837 12.784 -8.272 536 H GLU 75 H GLU 75 10.769 11.391 -0.695 537 HA GLU 75 HA GLU 75 13.363 12.193 0.448 538 HB2 GLU 75 1HB GLU 75 11.984 13.544 2.103 539 HB3 GLU 75 2HB GLU 75 12.079 14.174 0.464 540 HG2 GLU 75 1HG GLU 75 9.810 14.181 1.654 541 HG3 GLU 75 2HG GLU 75 9.883 13.622 -0.016 542 H ASN 76 H ASN 76 13.081 12.081 3.014 543 HA ASN 76 HA ASN 76 12.370 9.300 3.546 544 HB2 ASN 76 1HB ASN 76 13.682 11.129 5.535 545 HB3 ASN 76 2HB ASN 76 13.825 9.381 5.376 546 HD21 ASN 76 1HD2 ASN 76 14.299 9.269 2.610 547 HD22 ASN 76 2HD2 ASN 76 15.869 9.925 2.308 548 H GLY 77 H GLY 77 11.343 8.791 5.668 549 HA2 GLY 77 1HA GLY 77 10.012 9.717 7.534 550 HA3 GLY 77 2HA GLY 77 9.335 10.844 6.367 551 H VAL 78 H VAL 78 7.864 9.066 8.061 552 HA VAL 78 HA VAL 78 6.995 6.788 6.588 553 HB VAL 78 HB VAL 78 5.635 8.240 8.862 554 HG11 VAL 78 1HG1 VAL 78 4.683 5.785 9.089 555 HG12 VAL 78 2HG1 VAL 78 3.909 6.982 8.048 556 HG13 VAL 78 3HG1 VAL 78 4.979 5.765 7.350 557 HG21 VAL 78 1HG2 VAL 78 6.707 6.796 10.342 558 HG22 VAL 78 2HG2 VAL 78 7.145 5.658 9.067 559 HG23 VAL 78 3HG2 VAL 78 7.975 7.209 9.188 560 H HIS 79 H HIS 79 5.778 6.794 4.828 561 HA HIS 79 HA HIS 79 4.199 9.150 4.160 562 HB2 HIS 79 1HB HIS 79 4.921 6.671 2.591 563 HB3 HIS 79 2HB HIS 79 3.869 7.940 1.972 564 HD1 HIS 79 1HD HIS 79 7.106 8.430 3.880 565 HD2 HIS 79 2HD HIS 79 5.503 9.065 0.101 566 HE1 HIS 79 1HE HIS 79 8.847 9.740 2.624 567 HE2 HIS 79 2HE HIS 79 7.819 10.186 0.368 568 H SER 80 H SER 80 1.982 9.029 3.560 569 HA SER 80 HA SER 80 0.547 6.889 4.971 570 HB2 SER 80 1HB SER 80 0.247 9.454 5.454 571 HB3 SER 80 2HB SER 80 -0.785 9.402 4.026 572 HG SER 80 HG SER 80 -1.066 7.757 6.323 573 H ILE 81 H ILE 81 0.112 5.282 3.586 574 HA ILE 81 HA ILE 81 -0.563 5.822 0.822 575 HB ILE 81 HB ILE 81 -0.736 3.123 2.127 576 HG12 ILE 81 1HG1 ILE 81 1.434 4.179 2.747 577 HG13 ILE 81 2HG1 ILE 81 1.622 2.766 1.715 578 HG21 ILE 81 1HG2 ILE 81 -0.145 4.094 -0.661 579 HG22 ILE 81 2HG2 ILE 81 0.019 2.415 -0.151 580 HG23 ILE 81 3HG2 ILE 81 -1.560 3.199 -0.109 581 HD11 ILE 81 1HD1 ILE 81 1.428 5.118 0.101 582 HD12 ILE 81 2HD1 ILE 81 2.675 5.328 1.331 583 HD13 ILE 81 3HD1 ILE 81 2.745 3.953 0.230 584 H ASP 82 H ASP 82 -2.549 6.673 0.564 585 HA ASP 82 HA ASP 82 -4.799 5.745 2.128 586 HB2 ASP 82 1HB ASP 82 -4.485 7.822 -0.035 587 HB3 ASP 82 2HB ASP 82 -6.061 7.378 0.616 588 H VAL 83 H VAL 83 -5.447 3.733 1.606 589 HA VAL 83 HA VAL 83 -5.817 3.073 -1.234 590 HB VAL 83 HB VAL 83 -5.712 1.253 1.175 591 HG11 VAL 83 1HG1 VAL 83 -6.673 0.839 -1.543 592 HG12 VAL 83 2HG1 VAL 83 -5.418 -0.307 -1.070 593 HG13 VAL 83 3HG1 VAL 83 -6.885 -0.156 -0.102 594 HG21 VAL 83 1HG2 VAL 83 -3.507 1.628 0.888 595 HG22 VAL 83 2HG2 VAL 83 -3.688 0.476 -0.435 596 HG23 VAL 83 3HG2 VAL 83 -3.712 2.208 -0.765 597 H LYS 84 H LYS 84 -7.801 3.461 -1.956 598 HA LYS 84 HA LYS 84 -10.079 2.977 -0.154 599 HB2 LYS 84 1HB LYS 84 -9.594 4.969 -2.325 600 HB3 LYS 84 2HB LYS 84 -11.243 4.431 -2.033 601 HG2 LYS 84 1HG LYS 84 -10.610 5.007 0.466 602 HG3 LYS 84 2HG LYS 84 -9.449 6.071 -0.333 603 HD2 LYS 84 1HD LYS 84 -12.337 6.053 -1.142 604 HD3 LYS 84 2HD LYS 84 -11.789 6.998 0.245 605 HE2 LYS 84 1HE LYS 84 -11.667 8.525 -1.495 606 HE3 LYS 84 2HE LYS 84 -10.013 7.925 -1.389 607 HZ1 LYS 84 1HZ LYS 84 -11.050 6.205 -3.129 608 HZ2 LYS 84 2HZ LYS 84 -10.293 7.646 -3.588 609 HZ3 LYS 84 3HZ LYS 84 -11.980 7.571 -3.493 610 H PHE 85 H PHE 85 -12.050 2.141 -1.155 611 HA PHE 85 HA PHE 85 -11.581 0.577 -3.594 612 HB2 PHE 85 1HB PHE 85 -11.258 -0.838 -1.533 613 HB3 PHE 85 2HB PHE 85 -12.952 -0.550 -1.149 614 HD1 PHE 85 1HD PHE 85 -11.007 -1.532 -4.184 615 HD2 PHE 85 2HD PHE 85 -14.328 -2.306 -1.636 616 HE1 PHE 85 1HE PHE 85 -11.648 -3.437 -5.603 617 HE2 PHE 85 2HE PHE 85 -14.973 -4.213 -3.051 618 HZ PHE 85 HZ PHE 85 -13.633 -4.781 -5.037 619 H ASN 86 H ASN 86 -13.057 1.142 -5.037 620 HA ASN 86 HA ASN 86 -14.934 2.197 -5.876 621 HB2 ASN 86 1HB ASN 86 -15.365 -0.369 -5.400 622 HB3 ASN 86 2HB ASN 86 -16.528 0.268 -4.241 623 HD21 ASN 86 1HD2 ASN 86 -15.671 0.014 -7.602 624 HD22 ASN 86 2HD2 ASN 86 -17.206 0.488 -8.236 625 H GLY 87 H GLY 87 -14.063 3.676 -3.712 626 HA2 GLY 87 1HA GLY 87 -14.906 5.477 -2.523 627 HA3 GLY 87 2HA GLY 87 -16.530 4.926 -2.906 628 H ALA 88 H ALA 88 -14.046 2.985 -1.343 629 HA ALA 88 HA ALA 88 -15.334 3.310 1.253 630 HB1 ALA 88 1HB ALA 88 -14.996 0.559 1.095 631 HB2 ALA 88 2HB ALA 88 -16.523 1.440 1.059 632 HB3 ALA 88 3HB ALA 88 -15.721 1.006 -0.450 633 H HIS 89 H HIS 89 -13.792 3.587 2.714 634 HA HIS 89 HA HIS 89 -11.048 3.085 2.140 635 HB2 HIS 89 1HB HIS 89 -12.594 4.191 4.426 636 HB3 HIS 89 2HB HIS 89 -10.981 3.574 4.773 637 HD1 HIS 89 1HD HIS 89 -9.004 4.967 4.010 638 HD2 HIS 89 2HD HIS 89 -12.652 6.440 2.675 639 HE1 HIS 89 1HE HIS 89 -8.502 7.237 3.052 640 HE2 HIS 89 2HE HIS 89 -10.737 8.144 2.328 641 H ILE 90 H ILE 90 -9.685 1.512 2.890 642 HA ILE 90 HA ILE 90 -10.959 -0.931 3.815 643 HB ILE 90 HB ILE 90 -8.874 -2.037 3.347 644 HG12 ILE 90 1HG1 ILE 90 -7.600 0.537 2.485 645 HG13 ILE 90 2HG1 ILE 90 -7.554 0.067 4.181 646 HG21 ILE 90 1HG2 ILE 90 -10.369 -0.592 1.437 647 HG22 ILE 90 2HG2 ILE 90 -8.677 -0.503 0.952 648 HG23 ILE 90 3HG2 ILE 90 -9.441 -2.073 1.203 649 HD11 ILE 90 1HD1 ILE 90 -6.033 -0.938 1.917 650 HD12 ILE 90 2HD1 ILE 90 -5.689 -1.016 3.646 651 HD13 ILE 90 3HD1 ILE 90 -6.746 -2.216 2.902 652 HA PRO 91 HA PRO 91 -9.797 -0.596 8.039 653 HB2 PRO 91 1HB PRO 91 -9.462 -3.215 8.670 654 HB3 PRO 91 2HB PRO 91 -11.050 -2.488 8.397 655 HG2 PRO 91 1HG PRO 91 -9.367 -4.115 6.532 656 HG3 PRO 91 2HG PRO 91 -11.113 -4.200 6.826 657 HD2 PRO 91 1HD PRO 91 -10.057 -2.930 4.680 658 HD3 PRO 91 2HD PRO 91 -11.558 -2.395 5.463 659 H GLY 92 H GLY 92 -7.822 0.387 8.216 660 HA2 GLY 92 1HA GLY 92 -5.649 -0.334 9.296 661 HA3 GLY 92 2HA GLY 92 -5.442 -1.324 7.858 662 H SER 93 H SER 93 -6.798 1.015 6.365 663 HA SER 93 HA SER 93 -4.296 2.362 5.755 664 HB2 SER 93 1HB SER 93 -5.291 1.922 3.741 665 HB3 SER 93 2HB SER 93 -6.922 2.020 4.404 666 HG SER 93 HG SER 93 -6.971 4.104 4.010 667 HA PRO 94 HA PRO 94 -3.947 4.291 4.419 668 HB2 PRO 94 1HB PRO 94 -2.088 6.112 5.190 669 HB3 PRO 94 2HB PRO 94 -3.583 6.558 4.359 670 HG2 PRO 94 1HG PRO 94 -2.935 6.663 7.280 671 HG3 PRO 94 2HG PRO 94 -3.782 7.856 6.279 672 HD2 PRO 94 1HD PRO 94 -5.087 6.125 7.902 673 HD3 PRO 94 2HD PRO 94 -5.776 6.702 6.371 674 H PHE 95 H PHE 95 -2.091 3.103 4.189 675 HA PHE 95 HA PHE 95 -1.153 1.700 6.524 676 HB2 PHE 95 1HB PHE 95 -0.544 1.505 3.581 677 HB3 PHE 95 2HB PHE 95 0.373 0.590 4.773 678 HD1 PHE 95 1HD PHE 95 -1.283 -0.607 6.572 679 HD2 PHE 95 2HD PHE 95 -2.213 0.353 2.531 680 HE1 PHE 95 1HE PHE 95 -3.010 -2.360 6.557 681 HE2 PHE 95 2HE PHE 95 -3.942 -1.397 2.510 682 HZ PHE 95 HZ PHE 95 -4.343 -2.756 4.524 683 H LYS 96 H LYS 96 0.251 2.669 7.833 684 HA LYS 96 HA LYS 96 2.049 4.711 6.969 685 HB2 LYS 96 1HB LYS 96 1.865 3.172 9.564 686 HB3 LYS 96 2HB LYS 96 2.949 4.531 9.298 687 HG2 LYS 96 1HG LYS 96 -0.032 4.733 8.974 688 HG3 LYS 96 2HG LYS 96 0.799 5.045 10.500 689 HD2 LYS 96 1HD LYS 96 2.240 6.685 9.142 690 HD3 LYS 96 2HD LYS 96 0.981 6.556 7.912 691 HE2 LYS 96 1HE LYS 96 0.359 8.420 9.176 692 HE3 LYS 96 2HE LYS 96 -0.656 7.120 9.799 693 HZ1 LYS 96 1HZ LYS 96 0.131 7.591 11.799 694 HZ2 LYS 96 2HZ LYS 96 1.232 8.712 11.175 695 HZ3 LYS 96 3HZ LYS 96 1.666 7.082 11.300 696 H ILE 97 H ILE 97 3.642 4.152 5.606 697 HA ILE 97 HA ILE 97 5.210 1.736 6.192 698 HB ILE 97 HB ILE 97 6.112 2.008 3.887 699 HG12 ILE 97 1HG1 ILE 97 4.000 4.168 3.706 700 HG13 ILE 97 2HG1 ILE 97 5.742 4.415 3.634 701 HG21 ILE 97 1HG2 ILE 97 4.111 0.591 4.512 702 HG22 ILE 97 2HG2 ILE 97 3.109 1.886 3.860 703 HG23 ILE 97 3HG2 ILE 97 4.247 1.039 2.812 704 HD11 ILE 97 1HD1 ILE 97 4.565 4.471 1.436 705 HD12 ILE 97 2HD1 ILE 97 5.887 3.308 1.539 706 HD13 ILE 97 3HD1 ILE 97 4.216 2.756 1.648 707 H ARG 98 H ARG 98 7.194 1.919 6.993 708 HA ARG 98 HA ARG 98 8.359 4.550 7.333 709 HB2 ARG 98 1HB ARG 98 8.350 2.882 9.173 710 HB3 ARG 98 2HB ARG 98 9.405 1.854 8.213 711 HG2 ARG 98 1HG ARG 98 10.972 3.912 8.173 712 HG3 ARG 98 2HG ARG 98 10.009 4.455 9.549 713 HD2 ARG 98 1HD ARG 98 11.409 1.790 9.366 714 HD3 ARG 98 2HD ARG 98 12.045 3.205 10.205 715 HE ARG 98 HE ARG 98 9.982 1.426 11.122 716 HH11 ARG 98 1HH1 ARG 98 11.320 4.631 11.369 717 HH12 ARG 98 2HH1 ARG 98 10.680 4.917 12.953 718 HH21 ARG 98 1HH2 ARG 98 9.135 1.791 13.209 719 HH22 ARG 98 2HH2 ARG 98 9.439 3.301 13.999 720 H VAL 99 H VAL 99 9.731 5.421 5.939 721 HA VAL 99 HA VAL 99 11.097 3.683 4.010 722 HB VAL 99 HB VAL 99 10.535 6.646 3.983 723 HG11 VAL 99 1HG1 VAL 99 11.602 6.624 1.730 724 HG12 VAL 99 2HG1 VAL 99 12.730 6.370 3.064 725 HG13 VAL 99 3HG1 VAL 99 12.200 5.003 2.083 726 HG21 VAL 99 1HG2 VAL 99 9.226 6.117 1.997 727 HG22 VAL 99 2HG2 VAL 99 9.661 4.415 2.148 728 HG23 VAL 99 3HG2 VAL 99 8.662 5.183 3.382 729 H GLY 100 H GLY 100 13.313 3.766 3.684 730 HA2 GLY 100 1HA GLY 100 15.528 4.248 4.133 731 HA3 GLY 100 2HA GLY 100 14.991 5.599 5.120 732 H GLU 101 H GLU 101 16.349 2.523 5.138 733 HA GLU 101 HA GLU 101 15.768 2.187 8.006 734 HB2 GLU 101 1HB GLU 101 15.050 0.316 6.544 735 HB3 GLU 101 2HB GLU 101 16.719 0.104 6.031 736 HG2 GLU 101 1HG GLU 101 16.199 -1.533 7.694 737 HG3 GLU 101 2HG GLU 101 17.340 -0.373 8.372 738 H GLN 102 H GLN 102 17.450 1.784 9.443 739 HA GLN 102 HA GLN 102 20.000 2.884 8.644 740 HB2 GLN 102 1HB GLN 102 18.734 3.265 10.877 741 HB3 GLN 102 2HB GLN 102 19.414 1.713 11.347 742 HG2 GLN 102 1HG GLN 102 21.675 2.634 10.844 743 HG3 GLN 102 2HG GLN 102 20.916 4.206 10.593 744 HE21 GLN 102 1HE2 GLN 102 21.340 5.449 12.265 745 HE22 GLN 102 2HE2 GLN 102 21.252 4.987 13.928 746 H SER 103 H SER 103 21.654 1.729 7.932 747 HA SER 103 HA SER 103 21.584 -1.164 8.102 748 HB2 SER 103 1HB SER 103 23.377 0.794 6.671 749 HB3 SER 103 2HB SER 103 23.729 -0.934 6.718 750 HG SER 103 HG SER 103 22.277 0.173 4.963 751 H GLN 104 H GLN 104 23.189 -2.457 9.032 752 HA GLN 104 HA GLN 104 24.648 -1.146 11.211 753 HB2 GLN 104 1HB GLN 104 24.806 -3.387 12.204 754 HB3 GLN 104 2HB GLN 104 23.137 -2.939 11.880 755 HG2 GLN 104 1HG GLN 104 23.115 -5.066 11.097 756 HG3 GLN 104 2HG GLN 104 23.592 -4.222 9.625 757 HE21 GLN 104 1HE2 GLN 104 24.179 -6.751 9.589 758 HE22 GLN 104 2HE2 GLN 104 25.852 -7.054 9.894 759 H ALA 105 H ALA 105 26.760 -0.844 11.040 760 HA ALA 105 HA ALA 105 28.292 -1.589 8.834 761 HB1 ALA 105 1HB ALA 105 29.263 0.156 9.920 762 HB2 ALA 105 2HB ALA 105 28.881 -0.481 11.521 763 HB3 ALA 105 3HB ALA 105 30.227 -1.154 10.602 764 H GLY 106 H GLY 106 29.633 -3.272 8.373 765 HA2 GLY 106 1HA GLY 106 29.481 -5.571 10.206 766 HA3 GLY 106 2HA GLY 106 29.766 -5.671 8.475 767 H SER 107 H SER 107 31.528 -7.108 9.298 768 HA SER 107 HA SER 107 33.832 -5.671 10.373 769 HB2 SER 107 1HB SER 107 34.807 -7.818 10.793 770 HB3 SER 107 2HB SER 107 33.116 -7.921 11.282 771 HG SER 107 HG SER 107 34.033 -9.681 9.916 772 H GLY 108 H GLY 108 32.895 -7.580 7.536 773 HA2 GLY 108 1HA GLY 108 33.720 -7.576 5.391 774 HA3 GLY 108 2HA GLY 108 34.538 -6.073 5.788 775 HA PRO 109 HA PRO 109 37.813 -9.222 5.014 776 HB2 PRO 109 1HB PRO 109 39.435 -7.519 3.657 777 HB3 PRO 109 2HB PRO 109 38.125 -8.419 2.884 778 HG2 PRO 109 1HG PRO 109 38.175 -5.576 3.822 779 HG3 PRO 109 2HG PRO 109 37.514 -6.247 2.319 780 HD2 PRO 109 1HD PRO 109 35.956 -5.613 4.441 781 HD3 PRO 109 2HD PRO 109 35.572 -6.953 3.341 782 H SER 110 H SER 110 39.286 -9.577 6.544 783 HA SER 110 HA SER 110 40.399 -7.261 7.987 784 HB2 SER 110 1HB SER 110 38.993 -8.656 9.423 785 HB3 SER 110 2HB SER 110 39.935 -10.082 8.986 786 HG SER 110 HG SER 110 41.009 -7.785 10.259 787 H SER 111 H SER 111 42.589 -7.197 8.429 788 HA SER 111 HA SER 111 44.221 -9.145 6.937 789 HB2 SER 111 1HB SER 111 44.874 -6.265 7.609 790 HB3 SER 111 2HB SER 111 45.894 -7.366 6.684 791 HG SER 111 HG SER 111 44.093 -7.512 5.184 792 H GLY 112 H GLY 112 46.176 -9.872 7.853 793 HA2 GLY 112 1HA GLY 112 47.753 -10.156 9.566 794 HA3 GLY 112 2HA GLY 112 46.773 -9.136 10.608 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -36.305 -2.635 4.277 2 HA2 GLY 1 1HA GLY 1 -36.192 -2.319 6.923 3 HA3 GLY 1 2HA GLY 1 -36.866 -3.784 6.224 4 H SER 2 H SER 2 -34.181 -2.371 7.889 5 HA SER 2 HA SER 2 -33.110 -5.069 8.352 6 HB2 SER 2 1HB SER 2 -30.842 -4.305 8.131 7 HB3 SER 2 2HB SER 2 -31.712 -3.801 6.682 8 HG SER 2 HG SER 2 -31.767 -1.731 7.433 9 H SER 3 H SER 3 -31.985 -5.337 10.352 10 HA SER 3 HA SER 3 -32.171 -3.181 12.301 11 HB2 SER 3 1HB SER 3 -33.292 -4.740 13.946 12 HB3 SER 3 2HB SER 3 -34.317 -4.199 12.617 13 HG SER 3 HG SER 3 -34.224 -6.170 11.718 14 H GLY 4 H GLY 4 -30.649 -3.299 13.898 15 HA2 GLY 4 1HA GLY 4 -29.028 -4.330 15.256 16 HA3 GLY 4 2HA GLY 4 -29.133 -5.768 14.252 17 H SER 5 H SER 5 -26.864 -5.887 14.115 18 HA SER 5 HA SER 5 -25.430 -3.688 12.874 19 HB2 SER 5 1HB SER 5 -23.431 -5.038 13.241 20 HB3 SER 5 2HB SER 5 -24.393 -4.982 14.717 21 HG SER 5 HG SER 5 -24.074 -7.106 12.888 22 H SER 6 H SER 6 -26.034 -3.515 10.768 23 HA SER 6 HA SER 6 -25.522 -5.862 9.061 24 HB2 SER 6 1HB SER 6 -27.602 -3.722 8.553 25 HB3 SER 6 2HB SER 6 -27.321 -5.171 7.587 26 HG SER 6 HG SER 6 -28.961 -5.733 8.893 27 H GLY 7 H GLY 7 -24.506 -5.502 7.087 28 HA2 GLY 7 1HA GLY 7 -23.995 -3.037 5.892 29 HA3 GLY 7 2HA GLY 7 -22.674 -3.345 7.010 30 H SER 8 H SER 8 -23.440 -3.528 3.885 31 HA SER 8 HA SER 8 -22.044 -6.065 3.398 32 HB2 SER 8 1HB SER 8 -24.269 -5.643 2.292 33 HB3 SER 8 2HB SER 8 -23.500 -4.344 1.380 34 HG SER 8 HG SER 8 -22.125 -5.864 0.450 35 H ASP 9 H ASP 9 -19.910 -5.548 3.628 36 HA ASP 9 HA ASP 9 -18.834 -3.652 1.654 37 HB2 ASP 9 1HB ASP 9 -18.282 -3.798 4.593 38 HB3 ASP 9 2HB ASP 9 -16.999 -3.283 3.502 39 H ASP 10 H ASP 10 -17.290 -4.482 0.405 40 HA ASP 10 HA ASP 10 -16.157 -7.086 1.159 41 HB2 ASP 10 1HB ASP 10 -15.924 -5.932 -1.596 42 HB3 ASP 10 2HB ASP 10 -15.988 -7.619 -1.096 43 H ALA 11 H ALA 11 -15.368 -3.911 1.283 44 HA ALA 11 HA ALA 11 -12.700 -3.941 0.274 45 HB1 ALA 11 1HB ALA 11 -12.758 -1.886 2.086 46 HB2 ALA 11 2HB ALA 11 -13.222 -1.770 0.388 47 HB3 ALA 11 3HB ALA 11 -14.453 -2.038 1.622 48 H ARG 12 H ARG 12 -14.168 -5.025 3.176 49 HA ARG 12 HA ARG 12 -11.927 -4.787 4.908 50 HB2 ARG 12 1HB ARG 12 -14.137 -6.823 5.156 51 HB3 ARG 12 2HB ARG 12 -13.159 -6.126 6.441 52 HG2 ARG 12 1HG ARG 12 -14.361 -4.188 6.498 53 HG3 ARG 12 2HG ARG 12 -14.830 -4.300 4.801 54 HD2 ARG 12 1HD ARG 12 -16.825 -4.838 5.751 55 HD3 ARG 12 2HD ARG 12 -16.108 -6.448 5.695 56 HE ARG 12 HE ARG 12 -16.608 -4.837 8.050 57 HH11 ARG 12 1HH1 ARG 12 -14.964 -7.585 6.682 58 HH12 ARG 12 2HH1 ARG 12 -14.738 -8.374 8.208 59 HH21 ARG 12 1HH2 ARG 12 -16.317 -5.866 10.065 60 HH22 ARG 12 2HH2 ARG 12 -15.509 -7.396 10.131 61 H ARG 13 H ARG 13 -12.974 -7.177 2.586 62 HA ARG 13 HA ARG 13 -11.279 -9.282 3.460 63 HB2 ARG 13 1HB ARG 13 -12.397 -8.820 0.690 64 HB3 ARG 13 2HB ARG 13 -11.801 -10.341 1.341 65 HG2 ARG 13 1HG ARG 13 -13.631 -10.544 2.813 66 HG3 ARG 13 2HG ARG 13 -14.125 -8.871 2.545 67 HD2 ARG 13 1HD ARG 13 -14.852 -9.344 0.341 68 HD3 ARG 13 2HD ARG 13 -14.072 -10.925 0.349 69 HE ARG 13 HE ARG 13 -16.127 -10.576 2.347 70 HH11 ARG 13 1HH1 ARG 13 -15.378 -11.594 -0.897 71 HH12 ARG 13 2HH1 ARG 13 -16.775 -12.608 -1.041 72 HH21 ARG 13 1HH2 ARG 13 -17.970 -11.908 2.170 73 HH22 ARG 13 2HH2 ARG 13 -18.250 -12.785 0.704 74 H LEU 14 H LEU 14 -10.719 -6.393 1.720 75 HA LEU 14 HA LEU 14 -8.517 -7.163 0.140 76 HB2 LEU 14 1HB LEU 14 -9.025 -4.461 1.371 77 HB3 LEU 14 2HB LEU 14 -8.021 -4.811 -0.034 78 HG LEU 14 HG LEU 14 -11.007 -5.219 0.055 79 HD11 LEU 14 1HD1 LEU 14 -10.769 -3.178 -1.598 80 HD12 LEU 14 2HD1 LEU 14 -9.344 -2.849 -0.614 81 HD13 LEU 14 3HD1 LEU 14 -10.934 -2.940 0.142 82 HD21 LEU 14 1HD2 LEU 14 -10.196 -4.890 -2.552 83 HD22 LEU 14 2HD2 LEU 14 -10.568 -6.427 -1.770 84 HD23 LEU 14 3HD2 LEU 14 -8.899 -5.858 -1.850 85 H THR 15 H THR 15 -6.308 -7.039 0.494 86 HA THR 15 HA THR 15 -5.246 -6.214 3.041 87 HB THR 15 HB THR 15 -4.180 -8.432 3.520 88 HG1 THR 15 1HG THR 15 -6.185 -9.595 1.906 89 HG21 THR 15 1HG2 THR 15 -7.165 -8.735 3.574 90 HG22 THR 15 2HG2 THR 15 -6.360 -7.513 4.559 91 HG23 THR 15 3HG2 THR 15 -5.977 -9.220 4.783 92 H VAL 16 H VAL 16 -2.822 -6.732 3.133 93 HA VAL 16 HA VAL 16 -1.598 -6.925 0.487 94 HB VAL 16 HB VAL 16 -1.077 -4.616 2.365 95 HG11 VAL 16 1HG1 VAL 16 0.573 -3.858 0.849 96 HG12 VAL 16 2HG1 VAL 16 0.917 -5.566 1.132 97 HG13 VAL 16 3HG1 VAL 16 0.120 -5.061 -0.359 98 HG21 VAL 16 1HG2 VAL 16 -3.027 -4.026 1.274 99 HG22 VAL 16 2HG2 VAL 16 -1.796 -3.359 0.202 100 HG23 VAL 16 3HG2 VAL 16 -2.585 -4.883 -0.202 101 H THR 17 H THR 17 0.408 -7.835 0.490 102 HA THR 17 HA THR 17 1.611 -8.432 3.113 103 HB THR 17 HB THR 17 1.541 -10.325 0.756 104 HG1 THR 17 1HG THR 17 -0.204 -11.167 1.631 105 HG21 THR 17 1HG2 THR 17 2.455 -10.763 3.601 106 HG22 THR 17 2HG2 THR 17 3.525 -10.527 2.218 107 HG23 THR 17 3HG2 THR 17 2.481 -11.947 2.295 108 H SER 18 H SER 18 2.432 -8.845 -0.337 109 HA SER 18 HA SER 18 5.095 -8.783 -0.340 110 HB2 SER 18 1HB SER 18 3.179 -7.353 -2.164 111 HB3 SER 18 2HB SER 18 4.919 -7.258 -2.436 112 HG SER 18 HG SER 18 3.180 -9.390 -2.759 113 H LEU 19 H LEU 19 3.056 -5.989 0.300 114 HA LEU 19 HA LEU 19 4.900 -3.940 0.211 115 HB2 LEU 19 1HB LEU 19 2.610 -3.432 0.547 116 HB3 LEU 19 2HB LEU 19 2.545 -4.388 2.025 117 HG LEU 19 HG LEU 19 4.263 -2.632 2.905 118 HD11 LEU 19 1HD1 LEU 19 4.777 -1.358 1.032 119 HD12 LEU 19 2HD1 LEU 19 3.598 -0.364 1.886 120 HD13 LEU 19 3HD1 LEU 19 3.102 -1.309 0.482 121 HD21 LEU 19 1HD2 LEU 19 2.264 -1.107 3.447 122 HD22 LEU 19 2HD2 LEU 19 2.212 -2.783 3.997 123 HD23 LEU 19 3HD2 LEU 19 1.304 -2.295 2.564 124 H GLN 20 H GLN 20 6.502 -3.192 1.498 125 HA GLN 20 HA GLN 20 7.316 -4.916 3.717 126 HB2 GLN 20 1HB GLN 20 8.854 -4.195 1.759 127 HB3 GLN 20 2HB GLN 20 8.951 -2.655 2.604 128 HG2 GLN 20 1HG GLN 20 10.767 -3.670 3.494 129 HG3 GLN 20 2HG GLN 20 9.550 -4.222 4.644 130 HE21 GLN 20 1HE2 GLN 20 8.404 -6.004 2.545 131 HE22 GLN 20 2HE2 GLN 20 9.463 -7.368 2.496 132 H GLU 21 H GLU 21 6.219 -4.293 5.505 133 HA GLU 21 HA GLU 21 5.262 -1.860 6.245 134 HB2 GLU 21 1HB GLU 21 6.368 -4.136 7.844 135 HB3 GLU 21 2HB GLU 21 5.889 -2.658 8.665 136 HG2 GLU 21 1HG GLU 21 3.640 -2.874 7.685 137 HG3 GLU 21 2HG GLU 21 4.133 -4.399 6.950 138 H THR 22 H THR 22 8.547 -3.060 6.873 139 HA THR 22 HA THR 22 9.507 -0.309 6.937 140 HB THR 22 HB THR 22 10.646 -0.481 9.023 141 HG1 THR 22 1HG THR 22 10.213 -2.548 10.265 142 HG21 THR 22 1HG2 THR 22 8.806 -0.805 10.620 143 HG22 THR 22 2HG2 THR 22 7.849 -1.575 9.354 144 HG23 THR 22 3HG2 THR 22 8.290 0.127 9.214 145 H GLY 23 H GLY 23 11.481 -0.091 6.036 146 HA2 GLY 23 1HA GLY 23 13.764 -1.244 5.975 147 HA3 GLY 23 2HA GLY 23 12.865 -2.580 5.272 148 H LEU 24 H LEU 24 11.237 -0.124 4.065 149 HA LEU 24 HA LEU 24 12.421 -0.313 1.492 150 HB2 LEU 24 1HB LEU 24 10.367 1.631 2.535 151 HB3 LEU 24 2HB LEU 24 10.765 1.375 0.837 152 HG LEU 24 HG LEU 24 9.429 -0.579 2.705 153 HD11 LEU 24 1HD1 LEU 24 7.475 -0.179 1.567 154 HD12 LEU 24 2HD1 LEU 24 8.305 0.412 0.128 155 HD13 LEU 24 3HD1 LEU 24 8.203 1.428 1.565 156 HD21 LEU 24 1HD2 LEU 24 10.671 -2.005 1.393 157 HD22 LEU 24 2HD2 LEU 24 10.652 -0.919 0.003 158 HD23 LEU 24 3HD2 LEU 24 9.205 -1.835 0.427 159 H LYS 25 H LYS 25 14.038 0.810 0.641 160 HA LYS 25 HA LYS 25 15.248 2.963 2.140 161 HB2 LYS 25 1HB LYS 25 16.021 1.835 -0.557 162 HB3 LYS 25 2HB LYS 25 17.006 2.884 0.455 163 HG2 LYS 25 1HG LYS 25 17.438 1.207 1.997 164 HG3 LYS 25 2HG LYS 25 16.055 0.240 1.479 165 HD2 LYS 25 1HD LYS 25 17.731 -0.944 0.480 166 HD3 LYS 25 2HD LYS 25 17.397 0.218 -0.807 167 HE2 LYS 25 1HE LYS 25 19.683 0.376 -0.663 168 HE3 LYS 25 2HE LYS 25 19.193 1.656 0.445 169 HZ1 LYS 25 1HZ LYS 25 20.740 -0.628 0.982 170 HZ2 LYS 25 2HZ LYS 25 19.327 -0.708 1.908 171 HZ3 LYS 25 3HZ LYS 25 20.339 0.643 2.025 172 H VAL 26 H VAL 26 15.848 5.015 1.100 173 HA VAL 26 HA VAL 26 13.558 6.208 -0.160 174 HB VAL 26 HB VAL 26 16.249 7.487 0.314 175 HG11 VAL 26 1HG1 VAL 26 15.212 9.092 -0.878 176 HG12 VAL 26 2HG1 VAL 26 13.606 8.426 -0.575 177 HG13 VAL 26 3HG1 VAL 26 14.394 9.424 0.649 178 HG21 VAL 26 1HG2 VAL 26 15.087 6.382 2.338 179 HG22 VAL 26 2HG2 VAL 26 15.636 8.052 2.485 180 HG23 VAL 26 3HG2 VAL 26 13.931 7.706 2.198 181 H ASN 27 H ASN 27 13.540 7.309 -2.173 182 HA ASN 27 HA ASN 27 13.907 7.514 -4.408 183 HB2 ASN 27 1HB ASN 27 16.747 7.026 -3.501 184 HB3 ASN 27 2HB ASN 27 16.322 7.411 -5.166 185 HD21 ASN 27 1HD2 ASN 27 18.033 8.999 -3.749 186 HD22 ASN 27 2HD2 ASN 27 17.279 10.518 -3.418 187 H GLN 28 H GLN 28 13.263 4.903 -3.212 188 HA GLN 28 HA GLN 28 14.333 3.162 -5.336 189 HB2 GLN 28 1HB GLN 28 13.822 2.661 -2.443 190 HB3 GLN 28 2HB GLN 28 13.546 1.339 -3.569 191 HG2 GLN 28 1HG GLN 28 16.123 2.878 -3.435 192 HG3 GLN 28 2HG GLN 28 15.814 1.414 -2.502 193 HE21 GLN 28 1HE2 GLN 28 16.485 2.740 -5.615 194 HE22 GLN 28 2HE2 GLN 28 16.726 1.241 -6.439 195 HA PRO 29 HA PRO 29 10.168 2.840 -6.760 196 HB2 PRO 29 1HB PRO 29 10.478 0.650 -8.335 197 HB3 PRO 29 2HB PRO 29 11.077 2.250 -8.786 198 HG2 PRO 29 1HG PRO 29 12.560 -0.062 -7.596 199 HG3 PRO 29 2HG PRO 29 13.053 1.029 -8.905 200 HD2 PRO 29 1HD PRO 29 13.948 1.305 -6.364 201 HD3 PRO 29 2HD PRO 29 13.701 2.691 -7.446 202 H ALA 30 H ALA 30 9.248 2.288 -4.700 203 HA ALA 30 HA ALA 30 9.171 -0.498 -3.909 204 HB1 ALA 30 1HB ALA 30 9.309 1.044 -2.118 205 HB2 ALA 30 2HB ALA 30 7.962 1.997 -2.741 206 HB3 ALA 30 3HB ALA 30 7.672 0.387 -2.084 207 H SER 31 H SER 31 7.521 -1.896 -4.196 208 HA SER 31 HA SER 31 4.913 -0.970 -5.057 209 HB2 SER 31 1HB SER 31 5.035 -2.666 -7.021 210 HB3 SER 31 2HB SER 31 5.788 -1.084 -7.226 211 HG SER 31 HG SER 31 6.922 -3.545 -7.240 212 H PHE 32 H PHE 32 3.280 -2.546 -4.861 213 HA PHE 32 HA PHE 32 3.995 -5.186 -3.887 214 HB2 PHE 32 1HB PHE 32 2.237 -4.697 -1.955 215 HB3 PHE 32 2HB PHE 32 3.950 -4.349 -1.752 216 HD1 PHE 32 2HD PHE 32 4.736 -1.970 -2.267 217 HD2 PHE 32 1HD PHE 32 0.653 -3.024 -1.687 218 HE1 PHE 32 2HE PHE 32 4.200 0.383 -1.785 219 HE2 PHE 32 1HE PHE 32 0.111 -0.673 -1.205 220 HZ PHE 32 HZ PHE 32 1.886 1.034 -1.252 221 H ALA 33 H ALA 33 1.834 -6.376 -3.274 222 HA ALA 33 HA ALA 33 -0.141 -5.711 -5.361 223 HB1 ALA 33 1HB ALA 33 1.270 -7.826 -5.634 224 HB2 ALA 33 2HB ALA 33 0.312 -8.484 -4.307 225 HB3 ALA 33 3HB ALA 33 -0.478 -7.984 -5.802 226 H VAL 34 H VAL 34 -2.274 -5.668 -4.834 227 HA VAL 34 HA VAL 34 -2.922 -6.035 -1.986 228 HB VAL 34 HB VAL 34 -4.309 -4.338 -4.066 229 HG11 VAL 34 1HG1 VAL 34 -6.067 -4.878 -2.703 230 HG12 VAL 34 2HG1 VAL 34 -5.040 -5.124 -1.289 231 HG13 VAL 34 3HG1 VAL 34 -5.419 -3.488 -1.833 232 HG21 VAL 34 1HG2 VAL 34 -2.443 -3.111 -3.520 233 HG22 VAL 34 2HG2 VAL 34 -3.577 -2.556 -2.289 234 HG23 VAL 34 3HG2 VAL 34 -2.358 -3.764 -1.884 235 H GLN 35 H GLN 35 -3.827 -7.958 -1.640 236 HA GLN 35 HA GLN 35 -5.283 -9.371 -3.662 237 HB2 GLN 35 1HB GLN 35 -3.872 -10.402 -1.811 238 HB3 GLN 35 2HB GLN 35 -5.203 -10.035 -0.722 239 HG2 GLN 35 1HG GLN 35 -6.629 -11.554 -1.751 240 HG3 GLN 35 2HG GLN 35 -5.652 -11.623 -3.216 241 HE21 GLN 35 1HE2 GLN 35 -3.552 -12.657 -3.053 242 HE22 GLN 35 2HE2 GLN 35 -3.337 -13.958 -1.937 243 H LEU 36 H LEU 36 -7.454 -9.660 -3.880 244 HA LEU 36 HA LEU 36 -9.155 -7.761 -2.492 245 HB2 LEU 36 1HB LEU 36 -9.985 -9.740 -4.596 246 HB3 LEU 36 2HB LEU 36 -10.801 -8.251 -4.124 247 HG LEU 36 HG LEU 36 -8.102 -8.300 -5.460 248 HD11 LEU 36 1HD1 LEU 36 -9.875 -9.358 -6.863 249 HD12 LEU 36 2HD1 LEU 36 -9.180 -7.889 -7.548 250 HD13 LEU 36 3HD1 LEU 36 -10.768 -7.839 -6.782 251 HD21 LEU 36 1HD2 LEU 36 -8.148 -6.077 -5.303 252 HD22 LEU 36 2HD2 LEU 36 -9.451 -6.288 -4.133 253 HD23 LEU 36 3HD2 LEU 36 -9.829 -5.995 -5.831 254 H ASN 37 H ASN 37 -8.837 -11.262 -2.872 255 HA ASN 37 HA ASN 37 -9.637 -13.009 -1.656 256 HB2 ASN 37 1HB ASN 37 -10.010 -10.851 0.431 257 HB3 ASN 37 2HB ASN 37 -10.185 -12.575 0.743 258 HD21 ASN 37 1HD2 ASN 37 -7.996 -9.973 0.192 259 HD22 ASN 37 2HD2 ASN 37 -6.540 -10.844 0.518 260 H GLY 38 H GLY 38 -11.424 -11.465 -3.380 261 HA2 GLY 38 1HA GLY 38 -13.658 -12.258 -3.867 262 HA3 GLY 38 2HA GLY 38 -13.968 -12.290 -2.138 263 H ALA 39 H ALA 39 -12.469 -9.710 -4.041 264 HA ALA 39 HA ALA 39 -14.808 -8.016 -3.468 265 HB1 ALA 39 1HB ALA 39 -12.569 -7.708 -2.069 266 HB2 ALA 39 2HB ALA 39 -12.132 -6.739 -3.477 267 HB3 ALA 39 3HB ALA 39 -13.577 -6.342 -2.547 268 H ARG 40 H ARG 40 -15.176 -6.295 -4.949 269 HA ARG 40 HA ARG 40 -13.615 -6.320 -7.419 270 HB2 ARG 40 1HB ARG 40 -16.610 -6.716 -7.314 271 HB3 ARG 40 2HB ARG 40 -15.687 -6.416 -8.781 272 HG2 ARG 40 1HG ARG 40 -14.998 -8.729 -7.022 273 HG3 ARG 40 2HG ARG 40 -16.347 -8.836 -8.155 274 HD2 ARG 40 1HD ARG 40 -13.645 -7.901 -9.053 275 HD3 ARG 40 2HD ARG 40 -14.009 -9.621 -8.920 276 HE ARG 40 HE ARG 40 -14.939 -7.809 -10.937 277 HH11 ARG 40 1HH1 ARG 40 -15.643 -10.751 -9.215 278 HH12 ARG 40 2HH1 ARG 40 -16.639 -11.404 -10.473 279 HH21 ARG 40 1HH2 ARG 40 -16.248 -8.658 -12.602 280 HH22 ARG 40 2HH2 ARG 40 -16.982 -10.212 -12.400 281 H GLY 41 H GLY 41 -13.043 -4.284 -7.776 282 HA2 GLY 41 1HA GLY 41 -14.895 -2.180 -8.077 283 HA3 GLY 41 2HA GLY 41 -14.144 -2.053 -6.493 284 H VAL 42 H VAL 42 -12.841 -0.326 -6.707 285 HA VAL 42 HA VAL 42 -10.699 -0.523 -8.707 286 HB VAL 42 HB VAL 42 -12.235 2.002 -8.076 287 HG11 VAL 42 1HG1 VAL 42 -10.673 3.225 -9.162 288 HG12 VAL 42 2HG1 VAL 42 -9.612 1.919 -8.633 289 HG13 VAL 42 3HG1 VAL 42 -10.263 1.918 -10.273 290 HG21 VAL 42 1HG2 VAL 42 -11.991 0.865 -10.814 291 HG22 VAL 42 2HG2 VAL 42 -13.131 0.117 -9.695 292 HG23 VAL 42 3HG2 VAL 42 -13.286 1.826 -10.101 293 H ILE 43 H ILE 43 -8.801 -0.524 -7.717 294 HA ILE 43 HA ILE 43 -8.574 0.452 -4.990 295 HB ILE 43 HB ILE 43 -6.520 -0.906 -6.740 296 HG12 ILE 43 1HG1 ILE 43 -8.542 -2.271 -6.138 297 HG13 ILE 43 2HG1 ILE 43 -7.022 -2.919 -5.532 298 HG21 ILE 43 1HG2 ILE 43 -5.743 0.605 -4.813 299 HG22 ILE 43 2HG2 ILE 43 -6.398 -0.646 -3.757 300 HG23 ILE 43 3HG2 ILE 43 -5.105 -1.037 -4.891 301 HD11 ILE 43 1HD1 ILE 43 -8.612 -1.139 -3.764 302 HD12 ILE 43 2HD1 ILE 43 -9.152 -2.799 -4.015 303 HD13 ILE 43 3HD1 ILE 43 -7.547 -2.484 -3.356 304 H ASP 44 H ASP 44 -8.096 2.507 -4.622 305 HA ASP 44 HA ASP 44 -6.497 3.979 -6.597 306 HB2 ASP 44 1HB ASP 44 -8.564 4.787 -4.592 307 HB3 ASP 44 2HB ASP 44 -7.346 5.962 -5.079 308 H ALA 45 H ALA 45 -4.433 4.335 -6.161 309 HA ALA 45 HA ALA 45 -3.544 4.225 -3.356 310 HB1 ALA 45 1HB ALA 45 -1.689 3.964 -5.690 311 HB2 ALA 45 2HB ALA 45 -1.510 3.354 -4.044 312 HB3 ALA 45 3HB ALA 45 -2.652 2.588 -5.149 313 H ARG 46 H ARG 46 -2.603 5.952 -2.442 314 HA ARG 46 HA ARG 46 -1.443 8.056 -4.064 315 HB2 ARG 46 1HB ARG 46 -3.898 8.480 -2.363 316 HB3 ARG 46 2HB ARG 46 -2.835 9.798 -2.839 317 HG2 ARG 46 1HG ARG 46 -3.251 8.858 -5.247 318 HG3 ARG 46 2HG ARG 46 -4.688 8.163 -4.495 319 HD2 ARG 46 1HD ARG 46 -4.041 11.049 -4.074 320 HD3 ARG 46 2HD ARG 46 -4.786 10.534 -5.587 321 HE ARG 46 HE ARG 46 -6.183 9.514 -3.326 322 HH11 ARG 46 1HH1 ARG 46 -5.717 12.370 -5.261 323 HH12 ARG 46 2HH1 ARG 46 -7.274 13.033 -4.892 324 HH21 ARG 46 1HH2 ARG 46 -8.236 10.376 -2.832 325 HH22 ARG 46 2HH2 ARG 46 -8.706 11.898 -3.510 326 H VAL 47 H VAL 47 0.401 8.582 -3.115 327 HA VAL 47 HA VAL 47 0.719 8.105 -0.241 328 HB VAL 47 HB VAL 47 3.178 8.523 -0.768 329 HG11 VAL 47 1HG1 VAL 47 2.752 6.197 -2.360 330 HG12 VAL 47 2HG1 VAL 47 3.258 6.307 -0.672 331 HG13 VAL 47 3HG1 VAL 47 1.542 6.238 -1.078 332 HG21 VAL 47 1HG2 VAL 47 2.290 8.059 -3.607 333 HG22 VAL 47 2HG2 VAL 47 2.663 9.656 -2.958 334 HG23 VAL 47 3HG2 VAL 47 3.916 8.417 -3.024 335 H HIS 48 H HIS 48 1.493 9.677 1.168 336 HA HIS 48 HA HIS 48 1.330 12.441 0.158 337 HB2 HIS 48 1HB HIS 48 0.586 11.322 2.865 338 HB3 HIS 48 2HB HIS 48 0.675 13.044 2.510 339 HD1 HIS 48 1HD HIS 48 -1.218 14.064 1.103 340 HD2 HIS 48 2HD HIS 48 -1.623 9.981 1.755 341 HE1 HIS 48 1HE HIS 48 -3.563 13.498 0.392 342 HE2 HIS 48 2HE HIS 48 -3.812 11.039 0.875 343 H THR 49 H THR 49 3.092 13.660 0.337 344 HA THR 49 HA THR 49 5.448 12.575 1.616 345 HB THR 49 HB THR 49 6.668 14.375 0.610 346 HG1 THR 49 1HG THR 49 5.656 16.153 -0.281 347 HG21 THR 49 1HG2 THR 49 4.569 13.701 -1.436 348 HG22 THR 49 2HG2 THR 49 5.720 12.499 -0.852 349 HG23 THR 49 3HG2 THR 49 6.299 13.948 -1.672 350 HA PRO 50 HA PRO 50 5.172 14.772 5.414 351 HB2 PRO 50 1HB PRO 50 7.809 15.028 6.008 352 HB3 PRO 50 2HB PRO 50 6.943 13.492 6.124 353 HG2 PRO 50 1HG PRO 50 8.721 14.502 3.938 354 HG3 PRO 50 2HG PRO 50 8.647 12.886 4.663 355 HD2 PRO 50 1HD PRO 50 7.484 13.472 2.290 356 HD3 PRO 50 2HD PRO 50 6.813 12.269 3.411 357 H SER 51 H SER 51 6.367 16.140 2.596 358 HA SER 51 HA SER 51 7.181 18.660 3.793 359 HB2 SER 51 1HB SER 51 7.277 19.251 1.214 360 HB3 SER 51 2HB SER 51 8.534 18.267 1.965 361 HG SER 51 HG SER 51 7.014 17.615 -0.065 362 H GLY 52 H GLY 52 4.344 17.202 2.598 363 HA2 GLY 52 1HA GLY 52 2.212 18.214 2.985 364 HA3 GLY 52 2HA GLY 52 2.960 19.790 2.775 365 H ALA 53 H ALA 53 3.531 17.100 0.609 366 HA ALA 53 HA ALA 53 1.909 18.462 -1.440 367 HB1 ALA 53 1HB ALA 53 3.558 18.217 -3.056 368 HB2 ALA 53 2HB ALA 53 4.474 18.668 -1.618 369 HB3 ALA 53 3HB ALA 53 4.418 16.983 -2.135 370 H VAL 54 H VAL 54 0.419 17.227 -2.377 371 HA VAL 54 HA VAL 54 0.222 14.436 -1.698 372 HB VAL 54 HB VAL 54 -1.504 16.119 -3.520 373 HG11 VAL 54 1HG1 VAL 54 -1.995 13.381 -2.352 374 HG12 VAL 54 2HG1 VAL 54 -3.154 14.326 -3.288 375 HG13 VAL 54 3HG1 VAL 54 -1.672 13.744 -4.047 376 HG21 VAL 54 1HG2 VAL 54 -2.330 16.999 -1.655 377 HG22 VAL 54 2HG2 VAL 54 -2.867 15.390 -1.171 378 HG23 VAL 54 3HG2 VAL 54 -1.284 15.980 -0.666 379 H GLU 55 H GLU 55 1.462 13.007 -2.725 380 HA GLU 55 HA GLU 55 2.229 13.439 -5.498 381 HB2 GLU 55 1HB GLU 55 3.098 11.584 -3.321 382 HB3 GLU 55 2HB GLU 55 3.419 11.141 -4.991 383 HG2 GLU 55 1HG GLU 55 4.244 13.779 -3.818 384 HG3 GLU 55 2HG GLU 55 5.267 12.344 -3.779 385 H GLU 56 H GLU 56 2.131 11.552 -7.011 386 HA GLU 56 HA GLU 56 -0.447 10.161 -6.699 387 HB2 GLU 56 1HB GLU 56 0.969 10.916 -9.261 388 HB3 GLU 56 2HB GLU 56 -0.601 10.133 -9.137 389 HG2 GLU 56 1HG GLU 56 -1.068 12.379 -9.576 390 HG3 GLU 56 2HG GLU 56 -1.358 12.180 -7.849 391 H CYS 57 H CYS 57 -0.584 7.986 -7.120 392 HA CYS 57 HA CYS 57 1.979 6.573 -7.245 393 HB2 CYS 57 1HB CYS 57 -0.771 5.536 -6.526 394 HB3 CYS 57 2HB CYS 57 0.730 4.623 -6.430 395 HG CYS 57 HG CYS 57 1.769 5.883 -4.290 396 H TYR 58 H TYR 58 1.509 4.214 -8.276 397 HA TYR 58 HA TYR 58 0.286 4.680 -10.914 398 HB2 TYR 58 1HB TYR 58 2.822 4.742 -10.908 399 HB3 TYR 58 2HB TYR 58 2.780 3.038 -10.468 400 HD1 TYR 58 1HD TYR 58 1.921 1.365 -12.064 401 HD2 TYR 58 2HD TYR 58 2.335 5.460 -13.143 402 HE1 TYR 58 1HE TYR 58 1.744 0.750 -14.439 403 HE2 TYR 58 2HE TYR 58 2.158 4.857 -15.521 404 HH TYR 58 HH TYR 58 1.721 3.221 -16.978 405 H VAL 59 H VAL 59 -1.452 3.421 -11.014 406 HA VAL 59 HA VAL 59 -1.169 0.592 -10.277 407 HB VAL 59 HB VAL 59 -2.361 1.381 -8.417 408 HG11 VAL 59 1HG1 VAL 59 -4.354 2.855 -10.098 409 HG12 VAL 59 2HG1 VAL 59 -3.978 3.052 -8.385 410 HG13 VAL 59 3HG1 VAL 59 -2.841 3.619 -9.610 411 HG21 VAL 59 1HG2 VAL 59 -4.415 0.253 -8.539 412 HG22 VAL 59 2HG2 VAL 59 -4.615 0.621 -10.253 413 HG23 VAL 59 3HG2 VAL 59 -3.397 -0.546 -9.737 414 H SER 60 H SER 60 -1.608 -0.633 -11.975 415 HA SER 60 HA SER 60 -3.004 0.449 -14.259 416 HB2 SER 60 1HB SER 60 -0.966 -1.074 -14.374 417 HB3 SER 60 2HB SER 60 -2.041 -2.393 -13.913 418 HG SER 60 HG SER 60 -2.604 -0.708 -16.110 419 H GLU 61 H GLU 61 -4.828 -0.588 -15.269 420 HA GLU 61 HA GLU 61 -6.996 -0.989 -13.598 421 HB2 GLU 61 1HB GLU 61 -6.614 -2.035 -16.409 422 HB3 GLU 61 2HB GLU 61 -8.156 -1.904 -15.575 423 HG2 GLU 61 1HG GLU 61 -8.158 -0.012 -16.870 424 HG3 GLU 61 2HG GLU 61 -7.527 0.601 -15.342 425 H LEU 62 H LEU 62 -8.361 -2.988 -13.461 426 HA LEU 62 HA LEU 62 -6.905 -5.058 -12.210 427 HB2 LEU 62 1HB LEU 62 -9.310 -4.346 -11.801 428 HB3 LEU 62 2HB LEU 62 -9.723 -5.286 -13.233 429 HG LEU 62 HG LEU 62 -8.452 -7.189 -11.882 430 HD11 LEU 62 1HD1 LEU 62 -8.558 -7.035 -9.578 431 HD12 LEU 62 2HD1 LEU 62 -9.737 -5.724 -9.614 432 HD13 LEU 62 3HD1 LEU 62 -8.055 -5.409 -10.040 433 HD21 LEU 62 1HD2 LEU 62 -11.052 -6.616 -12.537 434 HD22 LEU 62 2HD2 LEU 62 -11.132 -6.822 -10.788 435 HD23 LEU 62 3HD2 LEU 62 -10.484 -8.114 -11.799 436 H ASP 63 H ASP 63 -6.247 -7.032 -12.897 437 HA ASP 63 HA ASP 63 -6.827 -7.768 -15.688 438 HB2 ASP 63 1HB ASP 63 -4.168 -7.791 -14.262 439 HB3 ASP 63 2HB ASP 63 -4.462 -8.723 -15.727 440 H SER 64 H SER 64 -5.449 -9.021 -12.647 441 HA SER 64 HA SER 64 -6.916 -11.529 -13.137 442 HB2 SER 64 1HB SER 64 -4.183 -11.191 -11.878 443 HB3 SER 64 2HB SER 64 -5.074 -12.711 -11.952 444 HG SER 64 HG SER 64 -3.924 -11.221 -14.049 445 H ASP 65 H ASP 65 -8.114 -9.477 -11.774 446 HA ASP 65 HA ASP 65 -9.256 -9.026 -9.859 447 HB2 ASP 65 1HB ASP 65 -8.333 -11.662 -8.741 448 HB3 ASP 65 2HB ASP 65 -9.852 -10.818 -8.457 449 H LYS 66 H LYS 66 -6.719 -7.960 -10.031 450 HA LYS 66 HA LYS 66 -6.116 -7.567 -7.235 451 HB2 LYS 66 1HB LYS 66 -4.077 -8.761 -9.117 452 HB3 LYS 66 2HB LYS 66 -3.664 -8.021 -7.576 453 HG2 LYS 66 1HG LYS 66 -5.389 -9.712 -6.610 454 HG3 LYS 66 2HG LYS 66 -5.105 -10.573 -8.125 455 HD2 LYS 66 1HD LYS 66 -2.860 -9.673 -6.337 456 HD3 LYS 66 2HD LYS 66 -3.660 -11.233 -6.135 457 HE2 LYS 66 1HE LYS 66 -2.586 -10.414 -8.806 458 HE3 LYS 66 2HE LYS 66 -1.505 -11.072 -7.577 459 HZ1 LYS 66 1HZ LYS 66 -2.318 -12.806 -9.036 460 HZ2 LYS 66 2HZ LYS 66 -3.921 -12.416 -8.664 461 HZ3 LYS 66 3HZ LYS 66 -2.904 -13.046 -7.467 462 H HIS 67 H HIS 67 -4.028 -6.044 -7.163 463 HA HIS 67 HA HIS 67 -3.971 -4.197 -9.410 464 HB2 HIS 67 1HB HIS 67 -4.924 -3.424 -6.652 465 HB3 HIS 67 2HB HIS 67 -4.361 -2.249 -7.836 466 HD1 HIS 67 1HD HIS 67 -5.838 -1.976 -10.007 467 HD2 HIS 67 2HD HIS 67 -7.505 -4.322 -7.011 468 HE1 HIS 67 1HE HIS 67 -8.274 -2.187 -10.595 469 HE2 HIS 67 2HE HIS 67 -9.279 -3.539 -8.723 470 H THR 68 H THR 68 -1.967 -3.484 -9.737 471 HA THR 68 HA THR 68 0.033 -3.963 -7.651 472 HB THR 68 HB THR 68 0.418 -3.329 -10.584 473 HG1 THR 68 1HG THR 68 0.216 -5.708 -9.108 474 HG21 THR 68 1HG2 THR 68 2.616 -3.142 -10.212 475 HG22 THR 68 2HG2 THR 68 2.636 -4.571 -9.178 476 HG23 THR 68 3HG2 THR 68 2.218 -2.997 -8.501 477 H ILE 69 H ILE 69 1.214 -2.370 -6.727 478 HA ILE 69 HA ILE 69 0.644 0.390 -7.592 479 HB ILE 69 HB ILE 69 1.516 -0.227 -4.800 480 HG12 ILE 69 1HG1 ILE 69 -0.345 -1.734 -5.089 481 HG13 ILE 69 2HG1 ILE 69 -0.895 -0.351 -4.148 482 HG21 ILE 69 1HG2 ILE 69 0.289 1.806 -4.296 483 HG22 ILE 69 2HG2 ILE 69 1.437 2.092 -5.602 484 HG23 ILE 69 3HG2 ILE 69 -0.278 1.899 -5.963 485 HD11 ILE 69 1HD1 ILE 69 -1.902 -1.381 -6.613 486 HD12 ILE 69 2HD1 ILE 69 -2.554 -0.106 -5.584 487 HD13 ILE 69 3HD1 ILE 69 -1.375 0.287 -6.835 488 H ARG 70 H ARG 70 2.328 1.875 -7.625 489 HA ARG 70 HA ARG 70 5.007 0.999 -6.910 490 HB2 ARG 70 1HB ARG 70 4.374 0.388 -9.380 491 HB3 ARG 70 2HB ARG 70 4.640 2.102 -9.669 492 HG2 ARG 70 1HG ARG 70 6.914 1.919 -8.862 493 HG3 ARG 70 2HG ARG 70 6.657 0.218 -8.466 494 HD2 ARG 70 1HD ARG 70 6.140 1.150 -11.250 495 HD3 ARG 70 2HD ARG 70 7.808 0.932 -10.721 496 HE ARG 70 HE ARG 70 7.463 -1.356 -10.625 497 HH11 ARG 70 1HH1 ARG 70 4.475 0.311 -11.271 498 HH12 ARG 70 2HH1 ARG 70 3.617 -1.127 -11.715 499 HH21 ARG 70 1HH2 ARG 70 6.344 -3.256 -11.208 500 HH22 ARG 70 2HH2 ARG 70 4.681 -3.156 -11.678 501 H PHE 71 H PHE 71 5.963 2.616 -5.881 502 HA PHE 71 HA PHE 71 5.850 5.316 -6.858 503 HB2 PHE 71 1HB PHE 71 4.965 6.242 -4.693 504 HB3 PHE 71 2HB PHE 71 3.775 5.379 -5.663 505 HD1 PHE 71 1HD PHE 71 6.236 4.710 -2.939 506 HD2 PHE 71 2HD PHE 71 2.401 3.889 -4.592 507 HE1 PHE 71 1HE PHE 71 5.717 3.273 -1.011 508 HE2 PHE 71 2HE PHE 71 1.875 2.452 -2.666 509 HZ PHE 71 HZ PHE 71 3.533 2.143 -0.872 510 H ILE 72 H ILE 72 7.358 6.710 -5.816 511 HA ILE 72 HA ILE 72 9.303 5.293 -4.113 512 HB ILE 72 HB ILE 72 9.868 7.351 -6.250 513 HG12 ILE 72 1HG1 ILE 72 10.965 4.557 -6.126 514 HG13 ILE 72 2HG1 ILE 72 9.379 4.862 -6.825 515 HG21 ILE 72 1HG2 ILE 72 11.891 7.710 -5.382 516 HG22 ILE 72 2HG2 ILE 72 11.266 6.975 -3.907 517 HG23 ILE 72 3HG2 ILE 72 12.153 5.994 -5.073 518 HD11 ILE 72 1HD1 ILE 72 10.929 4.819 -8.604 519 HD12 ILE 72 2HD1 ILE 72 10.493 6.510 -8.355 520 HD13 ILE 72 3HD1 ILE 72 12.036 5.900 -7.758 521 HA PRO 73 HA PRO 73 8.456 8.531 -1.211 522 HB2 PRO 73 1HB PRO 73 10.460 7.946 0.525 523 HB3 PRO 73 2HB PRO 73 8.977 6.990 0.411 524 HG2 PRO 73 1HG PRO 73 11.672 6.456 -0.777 525 HG3 PRO 73 2HG PRO 73 10.561 5.331 0.026 526 HD2 PRO 73 1HD PRO 73 10.781 5.487 -2.669 527 HD3 PRO 73 2HD PRO 73 9.255 5.080 -1.857 528 H HIS 74 H HIS 74 9.099 10.182 -2.785 529 HA HIS 74 HA HIS 74 11.597 11.025 -3.461 530 HB2 HIS 74 1HB HIS 74 9.080 12.549 -2.873 531 HB3 HIS 74 2HB HIS 74 10.557 13.413 -3.287 532 HD1 HIS 74 1HD HIS 74 9.141 10.241 -4.832 533 HD2 HIS 74 2HD HIS 74 10.154 14.135 -5.868 534 HE1 HIS 74 1HE HIS 74 8.812 10.382 -7.322 535 HE2 HIS 74 2HE HIS 74 9.513 12.721 -7.937 536 H GLU 75 H GLU 75 10.061 11.283 -0.346 537 HA GLU 75 HA GLU 75 12.532 12.479 0.715 538 HB2 GLU 75 1HB GLU 75 10.738 14.164 0.684 539 HB3 GLU 75 2HB GLU 75 9.715 13.089 1.626 540 HG2 GLU 75 1HG GLU 75 10.998 13.348 3.548 541 HG3 GLU 75 2HG GLU 75 12.387 13.959 2.652 542 H ASN 76 H ASN 76 12.669 12.153 3.158 543 HA ASN 76 HA ASN 76 12.213 9.331 3.680 544 HB2 ASN 76 1HB ASN 76 13.541 11.205 5.612 545 HB3 ASN 76 2HB ASN 76 13.846 9.492 5.340 546 HD21 ASN 76 1HD2 ASN 76 13.972 9.652 2.496 547 HD22 ASN 76 2HD2 ASN 76 15.450 10.452 2.093 548 H GLY 77 H GLY 77 11.477 8.671 5.887 549 HA2 GLY 77 1HA GLY 77 10.240 9.279 7.891 550 HA3 GLY 77 2HA GLY 77 9.449 10.535 6.949 551 H VAL 78 H VAL 78 7.781 9.038 8.309 552 HA VAL 78 HA VAL 78 6.935 6.708 6.826 553 HB VAL 78 HB VAL 78 5.501 8.115 9.081 554 HG11 VAL 78 1HG1 VAL 78 5.150 5.246 8.818 555 HG12 VAL 78 2HG1 VAL 78 3.942 6.524 8.961 556 HG13 VAL 78 3HG1 VAL 78 4.617 6.121 7.382 557 HG21 VAL 78 1HG2 VAL 78 7.046 5.621 9.523 558 HG22 VAL 78 2HG2 VAL 78 7.950 7.127 9.371 559 HG23 VAL 78 3HG2 VAL 78 6.719 6.960 10.623 560 H HIS 79 H HIS 79 5.861 6.912 4.981 561 HA HIS 79 HA HIS 79 4.293 9.295 4.433 562 HB2 HIS 79 1HB HIS 79 4.962 6.892 2.724 563 HB3 HIS 79 2HB HIS 79 4.026 8.276 2.168 564 HD1 HIS 79 1HD HIS 79 7.136 8.560 4.282 565 HD2 HIS 79 2HD HIS 79 5.883 9.242 0.380 566 HE1 HIS 79 1HE HIS 79 9.031 9.785 3.171 567 HE2 HIS 79 2HE HIS 79 8.216 10.262 0.837 568 H SER 80 H SER 80 2.103 9.120 3.548 569 HA SER 80 HA SER 80 0.588 7.022 4.944 570 HB2 SER 80 1HB SER 80 0.089 9.356 5.607 571 HB3 SER 80 2HB SER 80 -0.376 9.713 3.943 572 HG SER 80 HG SER 80 -2.063 8.235 4.140 573 H ILE 81 H ILE 81 0.156 5.383 3.613 574 HA ILE 81 HA ILE 81 -0.312 5.845 0.784 575 HB ILE 81 HB ILE 81 -0.562 3.181 2.147 576 HG12 ILE 81 1HG1 ILE 81 1.569 4.300 2.853 577 HG13 ILE 81 2HG1 ILE 81 1.806 2.816 1.936 578 HG21 ILE 81 1HG2 ILE 81 0.086 4.131 -0.626 579 HG22 ILE 81 2HG2 ILE 81 0.434 2.486 -0.097 580 HG23 ILE 81 3HG2 ILE 81 -1.227 3.078 -0.099 581 HD11 ILE 81 1HD1 ILE 81 3.373 4.275 1.052 582 HD12 ILE 81 2HD1 ILE 81 2.038 4.363 -0.099 583 HD13 ILE 81 3HD1 ILE 81 2.264 5.646 1.090 584 H ASP 82 H ASP 82 -2.274 6.549 0.239 585 HA ASP 82 HA ASP 82 -4.621 5.797 1.756 586 HB2 ASP 82 1HB ASP 82 -4.741 8.019 1.060 587 HB3 ASP 82 2HB ASP 82 -4.084 7.659 -0.534 588 H VAL 83 H VAL 83 -5.954 4.173 1.299 589 HA VAL 83 HA VAL 83 -5.931 3.039 -1.416 590 HB VAL 83 HB VAL 83 -5.883 1.463 1.162 591 HG11 VAL 83 1HG1 VAL 83 -6.098 -0.519 -0.128 592 HG12 VAL 83 2HG1 VAL 83 -7.399 0.561 -0.634 593 HG13 VAL 83 3HG1 VAL 83 -5.964 0.373 -1.643 594 HG21 VAL 83 1HG2 VAL 83 -3.673 1.967 0.789 595 HG22 VAL 83 2HG2 VAL 83 -3.830 0.480 -0.146 596 HG23 VAL 83 3HG2 VAL 83 -3.872 2.043 -0.962 597 H LYS 84 H LYS 84 -7.894 3.498 -2.180 598 HA LYS 84 HA LYS 84 -10.216 3.095 -0.415 599 HB2 LYS 84 1HB LYS 84 -9.623 5.047 -2.579 600 HB3 LYS 84 2HB LYS 84 -11.286 4.494 -2.427 601 HG2 LYS 84 1HG LYS 84 -10.869 5.090 0.116 602 HG3 LYS 84 2HG LYS 84 -9.664 6.167 -0.593 603 HD2 LYS 84 1HD LYS 84 -11.546 6.942 -2.148 604 HD3 LYS 84 2HD LYS 84 -12.638 6.136 -1.019 605 HE2 LYS 84 1HE LYS 84 -12.511 8.441 -0.402 606 HE3 LYS 84 2HE LYS 84 -11.635 7.507 0.810 607 HZ1 LYS 84 1HZ LYS 84 -10.317 9.378 0.295 608 HZ2 LYS 84 2HZ LYS 84 -10.498 9.159 -1.373 609 HZ3 LYS 84 3HZ LYS 84 -9.573 8.065 -0.472 610 H PHE 85 H PHE 85 -12.083 2.071 -1.269 611 HA PHE 85 HA PHE 85 -11.771 0.659 -3.810 612 HB2 PHE 85 1HB PHE 85 -10.956 -0.785 -1.871 613 HB3 PHE 85 2HB PHE 85 -12.629 -0.817 -1.323 614 HD1 PHE 85 1HD PHE 85 -10.745 -1.337 -4.506 615 HD2 PHE 85 2HD PHE 85 -13.844 -2.663 -1.907 616 HE1 PHE 85 1HE PHE 85 -11.197 -3.226 -6.015 617 HE2 PHE 85 2HE PHE 85 -14.301 -4.555 -3.412 618 HZ PHE 85 HZ PHE 85 -12.976 -4.839 -5.469 619 H ASN 86 H ASN 86 -13.488 1.318 -4.922 620 HA ASN 86 HA ASN 86 -15.639 1.748 -5.521 621 HB2 ASN 86 1HB ASN 86 -16.110 -0.121 -3.201 622 HB3 ASN 86 2HB ASN 86 -17.436 0.551 -4.147 623 HD21 ASN 86 1HD2 ASN 86 -16.010 -2.181 -3.761 624 HD22 ASN 86 2HD2 ASN 86 -15.898 -2.779 -5.378 625 H GLY 87 H GLY 87 -14.206 3.481 -3.606 626 HA2 GLY 87 1HA GLY 87 -14.792 5.562 -2.739 627 HA3 GLY 87 2HA GLY 87 -16.484 5.102 -2.849 628 H ALA 88 H ALA 88 -14.125 3.082 -1.260 629 HA ALA 88 HA ALA 88 -15.081 3.983 1.365 630 HB1 ALA 88 1HB ALA 88 -16.122 1.756 0.250 631 HB2 ALA 88 2HB ALA 88 -14.736 1.072 1.102 632 HB3 ALA 88 3HB ALA 88 -15.947 2.000 1.988 633 H HIS 89 H HIS 89 -13.659 3.584 3.100 634 HA HIS 89 HA HIS 89 -10.877 3.320 2.271 635 HB2 HIS 89 1HB HIS 89 -12.293 4.473 4.619 636 HB3 HIS 89 2HB HIS 89 -10.666 3.855 4.885 637 HD1 HIS 89 1HD HIS 89 -8.717 5.142 3.803 638 HD2 HIS 89 2HD HIS 89 -12.455 6.779 3.025 639 HE1 HIS 89 1HE HIS 89 -8.265 7.416 2.828 640 HE2 HIS 89 2HE HIS 89 -10.542 8.421 2.445 641 H ILE 90 H ILE 90 -9.688 1.557 2.604 642 HA ILE 90 HA ILE 90 -10.853 -0.809 3.674 643 HB ILE 90 HB ILE 90 -8.752 -1.888 3.223 644 HG12 ILE 90 1HG1 ILE 90 -7.478 0.713 2.445 645 HG13 ILE 90 2HG1 ILE 90 -7.465 0.206 4.131 646 HG21 ILE 90 1HG2 ILE 90 -10.099 -0.221 1.284 647 HG22 ILE 90 2HG2 ILE 90 -8.415 -0.499 0.841 648 HG23 ILE 90 3HG2 ILE 90 -9.490 -1.868 1.124 649 HD11 ILE 90 1HD1 ILE 90 -5.597 -0.881 3.632 650 HD12 ILE 90 2HD1 ILE 90 -6.619 -2.039 2.780 651 HD13 ILE 90 3HD1 ILE 90 -5.866 -0.710 1.898 652 HA PRO 91 HA PRO 91 -9.776 -0.547 7.925 653 HB2 PRO 91 1HB PRO 91 -9.428 -3.175 8.512 654 HB3 PRO 91 2HB PRO 91 -11.018 -2.457 8.223 655 HG2 PRO 91 1HG PRO 91 -9.283 -4.031 6.359 656 HG3 PRO 91 2HG PRO 91 -11.034 -4.139 6.617 657 HD2 PRO 91 1HD PRO 91 -9.949 -2.817 4.518 658 HD3 PRO 91 2HD PRO 91 -11.469 -2.311 5.282 659 H GLY 92 H GLY 92 -7.819 0.439 8.194 660 HA2 GLY 92 1HA GLY 92 -5.660 -0.244 9.288 661 HA3 GLY 92 2HA GLY 92 -5.419 -1.255 7.871 662 H SER 93 H SER 93 -6.778 1.099 6.359 663 HA SER 93 HA SER 93 -4.263 2.416 5.737 664 HB2 SER 93 1HB SER 93 -5.271 1.984 3.728 665 HB3 SER 93 2HB SER 93 -6.898 2.104 4.397 666 HG SER 93 HG SER 93 -6.780 4.306 4.282 667 HA PRO 94 HA PRO 94 -3.894 4.339 4.401 668 HB2 PRO 94 1HB PRO 94 -2.011 6.139 5.166 669 HB3 PRO 94 2HB PRO 94 -3.503 6.603 4.339 670 HG2 PRO 94 1HG PRO 94 -2.846 6.701 7.258 671 HG3 PRO 94 2HG PRO 94 -3.682 7.904 6.258 672 HD2 PRO 94 1HD PRO 94 -5.004 6.190 7.885 673 HD3 PRO 94 2HD PRO 94 -5.689 6.774 6.355 674 H PHE 95 H PHE 95 -2.000 3.188 4.160 675 HA PHE 95 HA PHE 95 -1.092 1.749 6.492 676 HB2 PHE 95 1HB PHE 95 -0.473 1.565 3.550 677 HB3 PHE 95 2HB PHE 95 0.428 0.634 4.742 678 HD1 PHE 95 1HD PHE 95 -1.315 -0.492 6.552 679 HD2 PHE 95 2HD PHE 95 -2.081 0.371 2.455 680 HE1 PHE 95 1HE PHE 95 -3.059 -2.227 6.516 681 HE2 PHE 95 2HE PHE 95 -3.826 -1.362 2.412 682 HZ PHE 95 HZ PHE 95 -4.318 -2.663 4.445 683 H LYS 96 H LYS 96 0.206 2.885 7.810 684 HA LYS 96 HA LYS 96 2.100 4.809 6.884 685 HB2 LYS 96 1HB LYS 96 1.732 3.493 9.580 686 HB3 LYS 96 2HB LYS 96 2.874 4.794 9.268 687 HG2 LYS 96 1HG LYS 96 -0.095 5.017 8.829 688 HG3 LYS 96 2HG LYS 96 0.736 5.526 10.301 689 HD2 LYS 96 1HD LYS 96 2.035 7.139 9.060 690 HD3 LYS 96 2HD LYS 96 1.349 6.569 7.537 691 HE2 LYS 96 1HE LYS 96 0.074 8.444 7.958 692 HE3 LYS 96 2HE LYS 96 -0.925 7.167 8.650 693 HZ1 LYS 96 1HZ LYS 96 0.921 8.169 10.562 694 HZ2 LYS 96 2HZ LYS 96 -0.767 8.089 10.645 695 HZ3 LYS 96 3HZ LYS 96 -0.017 9.426 9.928 696 H ILE 97 H ILE 97 3.753 4.113 5.665 697 HA ILE 97 HA ILE 97 5.222 1.717 6.523 698 HB ILE 97 HB ILE 97 6.272 1.823 4.251 699 HG12 ILE 97 1HG1 ILE 97 4.078 3.803 3.625 700 HG13 ILE 97 2HG1 ILE 97 5.740 4.283 3.949 701 HG21 ILE 97 1HG2 ILE 97 3.986 0.659 5.021 702 HG22 ILE 97 2HG2 ILE 97 3.369 1.681 3.725 703 HG23 ILE 97 3HG2 ILE 97 4.642 0.508 3.391 704 HD11 ILE 97 1HD1 ILE 97 4.752 2.571 1.685 705 HD12 ILE 97 2HD1 ILE 97 5.415 4.203 1.590 706 HD13 ILE 97 3HD1 ILE 97 6.454 2.854 2.049 707 H ARG 98 H ARG 98 7.278 1.836 7.209 708 HA ARG 98 HA ARG 98 8.423 4.451 7.652 709 HB2 ARG 98 1HB ARG 98 8.450 2.429 9.265 710 HB3 ARG 98 2HB ARG 98 9.780 1.843 8.274 711 HG2 ARG 98 1HG ARG 98 11.039 3.880 8.752 712 HG3 ARG 98 2HG ARG 98 9.704 4.470 9.744 713 HD2 ARG 98 1HD ARG 98 10.026 2.173 10.975 714 HD3 ARG 98 2HD ARG 98 11.642 2.266 10.274 715 HE ARG 98 HE ARG 98 12.150 3.784 11.886 716 HH11 ARG 98 1HH1 ARG 98 8.713 3.888 11.339 717 HH12 ARG 98 2HH1 ARG 98 8.421 5.070 12.571 718 HH21 ARG 98 1HH2 ARG 98 11.778 5.341 13.511 719 HH22 ARG 98 2HH2 ARG 98 10.165 5.896 13.806 720 H VAL 99 H VAL 99 9.651 5.439 6.204 721 HA VAL 99 HA VAL 99 11.135 3.812 4.252 722 HB VAL 99 HB VAL 99 10.160 6.663 4.115 723 HG11 VAL 99 1HG1 VAL 99 12.170 5.216 2.434 724 HG12 VAL 99 2HG1 VAL 99 11.155 6.479 1.734 725 HG13 VAL 99 3HG1 VAL 99 12.229 6.854 3.082 726 HG21 VAL 99 1HG2 VAL 99 8.488 4.973 3.611 727 HG22 VAL 99 2HG2 VAL 99 8.939 5.844 2.146 728 HG23 VAL 99 3HG2 VAL 99 9.572 4.224 2.438 729 H GLY 100 H GLY 100 13.255 3.643 4.531 730 HA2 GLY 100 1HA GLY 100 15.443 4.436 4.790 731 HA3 GLY 100 2HA GLY 100 14.798 5.948 5.412 732 H GLU 101 H GLU 101 15.830 2.725 6.194 733 HA GLU 101 HA GLU 101 15.292 3.166 9.038 734 HB2 GLU 101 1HB GLU 101 16.004 0.746 7.407 735 HB3 GLU 101 2HB GLU 101 16.205 0.740 9.154 736 HG2 GLU 101 1HG GLU 101 14.072 -0.243 8.400 737 HG3 GLU 101 2HG GLU 101 13.868 1.128 9.489 738 H GLN 102 H GLN 102 17.035 2.479 10.576 739 HA GLN 102 HA GLN 102 19.601 3.569 9.656 740 HB2 GLN 102 1HB GLN 102 18.461 3.275 12.439 741 HB3 GLN 102 2HB GLN 102 20.074 3.880 12.086 742 HG2 GLN 102 1HG GLN 102 19.013 5.695 10.741 743 HG3 GLN 102 2HG GLN 102 17.449 5.135 11.331 744 HE21 GLN 102 1HE2 GLN 102 16.709 6.322 12.923 745 HE22 GLN 102 2HE2 GLN 102 17.648 7.076 14.161 746 H SER 103 H SER 103 21.578 2.588 10.412 747 HA SER 103 HA SER 103 21.477 -0.278 10.227 748 HB2 SER 103 1HB SER 103 23.755 1.679 10.557 749 HB3 SER 103 2HB SER 103 23.994 -0.066 10.473 750 HG SER 103 HG SER 103 22.459 1.147 8.480 751 H GLN 104 H GLN 104 22.037 -1.783 11.778 752 HA GLN 104 HA GLN 104 21.856 -0.826 14.539 753 HB2 GLN 104 1HB GLN 104 21.503 -3.578 13.347 754 HB3 GLN 104 2HB GLN 104 21.428 -3.236 15.070 755 HG2 GLN 104 1HG GLN 104 19.569 -1.613 14.537 756 HG3 GLN 104 2HG GLN 104 19.557 -2.303 12.915 757 HE21 GLN 104 1HE2 GLN 104 19.335 -3.195 16.329 758 HE22 GLN 104 2HE2 GLN 104 18.243 -4.512 16.096 759 H ALA 105 H ALA 105 23.657 -0.614 15.675 760 HA ALA 105 HA ALA 105 26.014 -2.195 14.904 761 HB1 ALA 105 1HB ALA 105 26.741 -0.032 14.783 762 HB2 ALA 105 2HB ALA 105 25.664 0.520 16.067 763 HB3 ALA 105 3HB ALA 105 27.123 -0.387 16.468 764 H GLY 106 H GLY 106 27.546 -2.565 16.852 765 HA2 GLY 106 1HA GLY 106 26.235 -2.994 19.391 766 HA3 GLY 106 2HA GLY 106 26.592 -4.475 18.514 767 H SER 107 H SER 107 28.138 -1.484 19.658 768 HA SER 107 HA SER 107 30.781 -2.168 19.377 769 HB2 SER 107 1HB SER 107 31.220 -0.662 21.318 770 HB3 SER 107 2HB SER 107 30.124 0.041 20.129 771 HG SER 107 HG SER 107 29.696 -0.317 22.706 772 H GLY 108 H GLY 108 32.349 -2.721 21.171 773 HA2 GLY 108 1HA GLY 108 31.229 -4.901 22.824 774 HA3 GLY 108 2HA GLY 108 32.779 -5.027 22.006 775 HA PRO 109 HA PRO 109 33.670 -3.738 26.335 776 HB2 PRO 109 1HB PRO 109 35.874 -5.305 26.576 777 HB3 PRO 109 2HB PRO 109 34.236 -5.896 26.884 778 HG2 PRO 109 1HG PRO 109 35.935 -6.211 24.440 779 HG3 PRO 109 2HG PRO 109 34.914 -7.410 25.255 780 HD2 PRO 109 1HD PRO 109 34.125 -6.103 23.019 781 HD3 PRO 109 2HD PRO 109 32.984 -6.615 24.279 782 H SER 110 H SER 110 34.960 -2.069 26.854 783 HA SER 110 HA SER 110 36.796 -1.068 24.837 784 HB2 SER 110 1HB SER 110 35.743 0.091 27.420 785 HB3 SER 110 2HB SER 110 36.963 0.899 26.437 786 HG SER 110 HG SER 110 35.414 1.567 25.203 787 H SER 111 H SER 111 36.884 -2.117 28.220 788 HA SER 111 HA SER 111 38.659 -2.437 29.650 789 HB2 SER 111 1HB SER 111 38.515 -4.540 28.356 790 HB3 SER 111 2HB SER 111 39.664 -3.888 27.188 791 HG SER 111 HG SER 111 41.105 -3.647 29.070 792 H GLY 112 H GLY 112 38.906 0.082 28.681 793 HA2 GLY 112 1HA GLY 112 41.600 0.685 29.083 794 HA3 GLY 112 2HA GLY 112 41.335 0.640 27.346 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -35.666 3.223 16.849 2 HA2 GLY 1 1HA GLY 1 -35.291 5.704 15.494 3 HA3 GLY 1 2HA GLY 1 -33.749 4.990 15.942 4 H SER 2 H SER 2 -33.794 2.465 15.434 5 HA SER 2 HA SER 2 -35.208 1.723 13.058 6 HB2 SER 2 1HB SER 2 -33.453 3.238 12.134 7 HB3 SER 2 2HB SER 2 -32.224 2.164 12.802 8 HG SER 2 HG SER 2 -33.138 1.933 10.474 9 H SER 3 H SER 3 -34.547 -0.446 12.281 10 HA SER 3 HA SER 3 -34.591 -2.378 14.154 11 HB2 SER 3 1HB SER 3 -34.811 -2.952 11.827 12 HB3 SER 3 2HB SER 3 -33.151 -2.459 11.496 13 HG SER 3 HG SER 3 -33.888 -4.844 12.028 14 H GLY 4 H GLY 4 -31.591 -1.074 12.739 15 HA2 GLY 4 1HA GLY 4 -30.137 -1.028 15.113 16 HA3 GLY 4 2HA GLY 4 -29.850 -2.597 14.374 17 H SER 5 H SER 5 -27.613 -1.910 14.255 18 HA SER 5 HA SER 5 -27.002 0.208 12.353 19 HB2 SER 5 1HB SER 5 -24.664 -0.166 12.999 20 HB3 SER 5 2HB SER 5 -25.678 0.044 14.426 21 HG SER 5 HG SER 5 -24.468 -1.718 14.863 22 H SER 6 H SER 6 -27.097 -0.292 10.268 23 HA SER 6 HA SER 6 -26.286 -2.983 9.409 24 HB2 SER 6 1HB SER 6 -28.596 -1.985 8.824 25 HB3 SER 6 2HB SER 6 -27.715 -0.979 7.674 26 HG SER 6 HG SER 6 -28.600 -3.215 7.060 27 H GLY 7 H GLY 7 -24.267 -3.139 8.704 28 HA2 GLY 7 1HA GLY 7 -23.266 -1.169 6.801 29 HA3 GLY 7 2HA GLY 7 -22.354 -1.342 8.293 30 H SER 8 H SER 8 -22.106 -2.095 5.242 31 HA SER 8 HA SER 8 -20.479 -4.425 5.751 32 HB2 SER 8 1HB SER 8 -22.913 -4.598 3.962 33 HB3 SER 8 2HB SER 8 -21.609 -5.785 3.970 34 HG SER 8 HG SER 8 -23.428 -5.152 6.040 35 H ASP 9 H ASP 9 -18.824 -4.606 4.321 36 HA ASP 9 HA ASP 9 -18.922 -3.272 1.753 37 HB2 ASP 9 1HB ASP 9 -17.026 -2.385 3.933 38 HB3 ASP 9 2HB ASP 9 -16.822 -1.976 2.232 39 H ASP 10 H ASP 10 -17.437 -4.065 0.293 40 HA ASP 10 HA ASP 10 -16.219 -6.584 1.007 41 HB2 ASP 10 1HB ASP 10 -15.976 -5.186 -1.652 42 HB3 ASP 10 2HB ASP 10 -15.870 -6.911 -1.314 43 H ALA 11 H ALA 11 -15.260 -3.378 1.085 44 HA ALA 11 HA ALA 11 -12.561 -3.575 0.253 45 HB1 ALA 11 1HB ALA 11 -12.797 -1.377 0.445 46 HB2 ALA 11 2HB ALA 11 -14.277 -1.572 1.384 47 HB3 ALA 11 3HB ALA 11 -12.712 -1.562 2.197 48 H ARG 12 H ARG 12 -14.086 -5.046 2.789 49 HA ARG 12 HA ARG 12 -11.927 -4.830 4.710 50 HB2 ARG 12 1HB ARG 12 -14.215 -6.770 4.894 51 HB3 ARG 12 2HB ARG 12 -13.297 -6.024 6.196 52 HG2 ARG 12 1HG ARG 12 -14.480 -4.069 6.099 53 HG3 ARG 12 2HG ARG 12 -14.893 -4.276 4.396 54 HD2 ARG 12 1HD ARG 12 -16.920 -4.745 5.327 55 HD3 ARG 12 2HD ARG 12 -16.215 -6.361 5.348 56 HE ARG 12 HE ARG 12 -15.515 -5.231 7.749 57 HH11 ARG 12 1HH1 ARG 12 -18.488 -5.921 6.074 58 HH12 ARG 12 2HH1 ARG 12 -19.405 -6.151 7.526 59 HH21 ARG 12 1HH2 ARG 12 -16.712 -5.532 9.668 60 HH22 ARG 12 2HH2 ARG 12 -18.394 -5.929 9.570 61 H ARG 13 H ARG 13 -12.983 -6.983 2.204 62 HA ARG 13 HA ARG 13 -11.448 -9.240 3.082 63 HB2 ARG 13 1HB ARG 13 -12.723 -8.616 0.412 64 HB3 ARG 13 2HB ARG 13 -11.982 -10.155 0.831 65 HG2 ARG 13 1HG ARG 13 -13.630 -10.560 2.522 66 HG3 ARG 13 2HG ARG 13 -14.306 -8.944 2.308 67 HD2 ARG 13 1HD ARG 13 -15.281 -9.476 0.284 68 HD3 ARG 13 2HD ARG 13 -14.162 -10.803 -0.023 69 HE ARG 13 HE ARG 13 -15.575 -12.205 1.104 70 HH11 ARG 13 1HH1 ARG 13 -16.410 -8.908 1.850 71 HH12 ARG 13 2HH1 ARG 13 -17.852 -9.331 2.711 72 HH21 ARG 13 1HH2 ARG 13 -17.472 -12.774 2.237 73 HH22 ARG 13 2HH2 ARG 13 -18.455 -11.530 2.932 74 H LEU 14 H LEU 14 -10.679 -6.321 1.589 75 HA LEU 14 HA LEU 14 -8.555 -7.198 -0.100 76 HB2 LEU 14 1HB LEU 14 -8.821 -4.471 1.133 77 HB3 LEU 14 2HB LEU 14 -8.023 -4.910 -0.376 78 HG LEU 14 HG LEU 14 -10.996 -5.164 0.021 79 HD11 LEU 14 1HD1 LEU 14 -10.632 -2.869 0.356 80 HD12 LEU 14 2HD1 LEU 14 -11.054 -3.023 -1.349 81 HD13 LEU 14 3HD1 LEU 14 -9.370 -2.803 -0.874 82 HD21 LEU 14 1HD2 LEU 14 -9.084 -5.526 -2.202 83 HD22 LEU 14 2HD2 LEU 14 -10.608 -4.730 -2.594 84 HD23 LEU 14 3HD2 LEU 14 -10.613 -6.340 -1.873 85 H THR 15 H THR 15 -6.322 -7.063 0.243 86 HA THR 15 HA THR 15 -5.275 -6.369 2.839 87 HB THR 15 HB THR 15 -4.133 -8.692 2.997 88 HG1 THR 15 1HG THR 15 -4.775 -9.819 1.273 89 HG21 THR 15 1HG2 THR 15 -6.965 -9.090 3.662 90 HG22 THR 15 2HG2 THR 15 -6.279 -7.578 4.257 91 HG23 THR 15 3HG2 THR 15 -5.541 -9.116 4.702 92 H VAL 16 H VAL 16 -2.928 -6.454 2.914 93 HA VAL 16 HA VAL 16 -1.636 -6.675 0.284 94 HB VAL 16 HB VAL 16 -1.207 -4.380 2.203 95 HG11 VAL 16 1HG1 VAL 16 0.395 -3.537 0.726 96 HG12 VAL 16 2HG1 VAL 16 0.758 -5.262 0.810 97 HG13 VAL 16 3HG1 VAL 16 -0.110 -4.609 -0.580 98 HG21 VAL 16 1HG2 VAL 16 -2.821 -4.676 -0.288 99 HG22 VAL 16 2HG2 VAL 16 -3.204 -3.819 1.206 100 HG23 VAL 16 3HG2 VAL 16 -2.052 -3.128 0.063 101 H THR 17 H THR 17 0.206 -7.792 0.331 102 HA THR 17 HA THR 17 1.439 -8.315 2.956 103 HB THR 17 HB THR 17 1.570 -10.052 0.484 104 HG1 THR 17 1HG THR 17 -0.522 -9.993 1.509 105 HG21 THR 17 1HG2 THR 17 3.448 -10.049 2.303 106 HG22 THR 17 2HG2 THR 17 2.803 -11.579 1.709 107 HG23 THR 17 3HG2 THR 17 2.258 -10.934 3.257 108 H SER 18 H SER 18 2.461 -8.506 -0.458 109 HA SER 18 HA SER 18 5.111 -8.265 -0.300 110 HB2 SER 18 1HB SER 18 3.166 -7.015 -2.198 111 HB3 SER 18 2HB SER 18 4.874 -6.598 -2.336 112 HG SER 18 HG SER 18 5.357 -8.691 -2.773 113 H LEU 19 H LEU 19 2.868 -5.556 0.110 114 HA LEU 19 HA LEU 19 4.618 -3.444 0.276 115 HB2 LEU 19 1HB LEU 19 2.292 -3.020 0.338 116 HB3 LEU 19 2HB LEU 19 2.079 -4.009 1.781 117 HG LEU 19 HG LEU 19 3.412 -2.289 3.037 118 HD11 LEU 19 1HD1 LEU 19 3.625 -1.200 0.358 119 HD12 LEU 19 2HD1 LEU 19 4.547 -0.819 1.812 120 HD13 LEU 19 3HD1 LEU 19 3.002 -0.022 1.514 121 HD21 LEU 19 1HD2 LEU 19 1.022 -2.342 3.249 122 HD22 LEU 19 2HD2 LEU 19 0.822 -1.472 1.727 123 HD23 LEU 19 3HD2 LEU 19 1.538 -0.660 3.121 124 H GLN 20 H GLN 20 6.305 -3.018 1.525 125 HA GLN 20 HA GLN 20 6.711 -4.551 3.966 126 HB2 GLN 20 1HB GLN 20 8.460 -4.003 2.070 127 HB3 GLN 20 2HB GLN 20 8.661 -2.513 2.982 128 HG2 GLN 20 1HG GLN 20 9.339 -3.708 4.929 129 HG3 GLN 20 2HG GLN 20 8.920 -5.253 4.190 130 HE21 GLN 20 1HE2 GLN 20 10.881 -6.206 4.218 131 HE22 GLN 20 2HE2 GLN 20 12.261 -5.620 3.361 132 H GLU 21 H GLU 21 5.887 -3.779 5.790 133 HA GLU 21 HA GLU 21 4.935 -1.208 6.221 134 HB2 GLU 21 1HB GLU 21 5.747 -3.441 8.040 135 HB3 GLU 21 2HB GLU 21 5.341 -1.875 8.728 136 HG2 GLU 21 1HG GLU 21 3.169 -2.033 7.429 137 HG3 GLU 21 2HG GLU 21 3.584 -3.723 7.149 138 H THR 22 H THR 22 8.039 -2.607 7.258 139 HA THR 22 HA THR 22 9.205 0.076 7.206 140 HB THR 22 HB THR 22 10.303 -0.202 9.355 141 HG1 THR 22 1HG THR 22 10.475 -2.163 10.111 142 HG21 THR 22 1HG2 THR 22 8.512 0.386 10.677 143 HG22 THR 22 2HG2 THR 22 7.462 -0.855 9.993 144 HG23 THR 22 3HG2 THR 22 7.816 0.607 9.073 145 H GLY 23 H GLY 23 11.282 0.133 6.500 146 HA2 GLY 23 1HA GLY 23 13.454 -1.197 6.589 147 HA3 GLY 23 2HA GLY 23 12.501 -2.473 5.847 148 H LEU 24 H LEU 24 11.036 -0.243 4.338 149 HA LEU 24 HA LEU 24 12.385 -0.484 1.914 150 HB2 LEU 24 1HB LEU 24 10.381 1.542 2.876 151 HB3 LEU 24 2HB LEU 24 10.973 1.495 1.217 152 HG LEU 24 HG LEU 24 9.423 -0.688 2.611 153 HD11 LEU 24 1HD1 LEU 24 7.545 0.012 1.512 154 HD12 LEU 24 2HD1 LEU 24 8.454 0.801 0.224 155 HD13 LEU 24 3HD1 LEU 24 8.329 1.564 1.809 156 HD21 LEU 24 1HD2 LEU 24 9.331 -1.670 0.320 157 HD22 LEU 24 2HD2 LEU 24 10.937 -1.682 1.048 158 HD23 LEU 24 3HD2 LEU 24 10.535 -0.484 -0.183 159 H LYS 25 H LYS 25 13.606 0.994 0.681 160 HA LYS 25 HA LYS 25 15.232 2.798 2.320 161 HB2 LYS 25 1HB LYS 25 15.669 1.377 -0.283 162 HB3 LYS 25 2HB LYS 25 16.625 2.801 0.103 163 HG2 LYS 25 1HG LYS 25 17.602 1.766 1.977 164 HG3 LYS 25 2HG LYS 25 16.423 0.452 1.961 165 HD2 LYS 25 1HD LYS 25 17.371 -0.071 -0.380 166 HD3 LYS 25 2HD LYS 25 18.731 0.942 0.108 167 HE2 LYS 25 1HE LYS 25 19.478 -1.125 0.767 168 HE3 LYS 25 2HE LYS 25 18.691 -0.575 2.246 169 HZ1 LYS 25 1HZ LYS 25 18.179 -2.916 1.437 170 HZ2 LYS 25 2HZ LYS 25 17.240 -2.184 0.236 171 HZ3 LYS 25 3HZ LYS 25 16.863 -1.944 1.867 172 H VAL 26 H VAL 26 15.936 4.857 1.324 173 HA VAL 26 HA VAL 26 13.661 6.322 0.384 174 HB VAL 26 HB VAL 26 15.593 7.145 1.911 175 HG11 VAL 26 1HG1 VAL 26 17.545 7.871 0.992 176 HG12 VAL 26 2HG1 VAL 26 17.194 6.549 -0.122 177 HG13 VAL 26 3HG1 VAL 26 16.812 8.210 -0.575 178 HG21 VAL 26 1HG2 VAL 26 14.196 8.667 -0.248 179 HG22 VAL 26 2HG2 VAL 26 13.925 8.690 1.495 180 HG23 VAL 26 3HG2 VAL 26 15.340 9.492 0.811 181 H ASN 27 H ASN 27 13.397 7.378 -1.589 182 HA ASN 27 HA ASN 27 13.372 7.444 -3.869 183 HB2 ASN 27 1HB ASN 27 16.332 7.547 -3.280 184 HB3 ASN 27 2HB ASN 27 15.673 7.774 -4.898 185 HD21 ASN 27 1HD2 ASN 27 16.766 9.358 -2.280 186 HD22 ASN 27 2HD2 ASN 27 15.918 10.853 -2.451 187 H GLN 28 H GLN 28 12.989 4.880 -2.926 188 HA GLN 28 HA GLN 28 14.415 3.266 -4.936 189 HB2 GLN 28 1HB GLN 28 15.164 2.559 -2.768 190 HB3 GLN 28 2HB GLN 28 13.514 2.484 -2.163 191 HG2 GLN 28 1HG GLN 28 13.834 0.283 -2.547 192 HG3 GLN 28 2HG GLN 28 13.270 0.748 -4.152 193 HE21 GLN 28 1HE2 GLN 28 14.634 -1.498 -4.058 194 HE22 GLN 28 2HE2 GLN 28 16.241 -1.306 -4.664 195 HA PRO 29 HA PRO 29 10.434 2.450 -6.642 196 HB2 PRO 29 1HB PRO 29 11.067 0.241 -8.088 197 HB3 PRO 29 2HB PRO 29 11.551 1.872 -8.565 198 HG2 PRO 29 1HG PRO 29 13.141 -0.241 -7.163 199 HG3 PRO 29 2HG PRO 29 13.633 0.840 -8.479 200 HD2 PRO 29 1HD PRO 29 14.295 1.297 -5.894 201 HD3 PRO 29 2HD PRO 29 14.009 2.611 -7.052 202 H ALA 30 H ALA 30 9.120 1.840 -4.949 203 HA ALA 30 HA ALA 30 9.249 -0.973 -4.093 204 HB1 ALA 30 1HB ALA 30 7.924 1.367 -2.727 205 HB2 ALA 30 2HB ALA 30 8.000 -0.285 -2.115 206 HB3 ALA 30 3HB ALA 30 9.479 0.660 -2.288 207 H SER 31 H SER 31 7.710 -2.324 -4.740 208 HA SER 31 HA SER 31 5.062 -1.272 -5.424 209 HB2 SER 31 1HB SER 31 5.018 -2.697 -7.468 210 HB3 SER 31 2HB SER 31 6.219 -1.409 -7.554 211 HG SER 31 HG SER 31 7.774 -3.013 -6.870 212 H PHE 32 H PHE 32 3.363 -2.739 -5.185 213 HA PHE 32 HA PHE 32 3.941 -5.448 -4.315 214 HB2 PHE 32 1HB PHE 32 2.304 -4.947 -2.304 215 HB3 PHE 32 2HB PHE 32 4.032 -4.641 -2.159 216 HD1 PHE 32 2HD PHE 32 4.881 -2.301 -2.475 217 HD2 PHE 32 1HD PHE 32 0.741 -3.213 -2.099 218 HE1 PHE 32 2HE PHE 32 4.419 0.048 -1.911 219 HE2 PHE 32 1HE PHE 32 0.271 -0.864 -1.535 220 HZ PHE 32 HZ PHE 32 2.112 0.770 -1.440 221 H ALA 33 H ALA 33 1.724 -6.515 -3.660 222 HA ALA 33 HA ALA 33 -0.263 -5.668 -5.667 223 HB1 ALA 33 1HB ALA 33 -0.774 -7.908 -6.136 224 HB2 ALA 33 2HB ALA 33 0.987 -7.858 -6.048 225 HB3 ALA 33 3HB ALA 33 0.054 -8.490 -4.692 226 H VAL 34 H VAL 34 -2.480 -5.938 -5.156 227 HA VAL 34 HA VAL 34 -3.038 -6.218 -2.274 228 HB VAL 34 HB VAL 34 -4.492 -4.380 -4.179 229 HG11 VAL 34 1HG1 VAL 34 -5.882 -3.817 -2.477 230 HG12 VAL 34 2HG1 VAL 34 -5.503 -5.459 -1.955 231 HG13 VAL 34 3HG1 VAL 34 -4.656 -4.087 -1.239 232 HG21 VAL 34 1HG2 VAL 34 -3.148 -2.982 -2.098 233 HG22 VAL 34 2HG2 VAL 34 -1.982 -4.023 -2.914 234 HG23 VAL 34 3HG2 VAL 34 -2.917 -2.851 -3.842 235 H GLN 35 H GLN 35 -3.902 -8.216 -2.158 236 HA GLN 35 HA GLN 35 -5.572 -9.334 -4.177 237 HB2 GLN 35 1HB GLN 35 -4.095 -10.476 -2.314 238 HB3 GLN 35 2HB GLN 35 -5.578 -10.371 -1.375 239 HG2 GLN 35 1HG GLN 35 -6.762 -11.696 -2.974 240 HG3 GLN 35 2HG GLN 35 -5.392 -11.666 -4.082 241 HE21 GLN 35 1HE2 GLN 35 -4.014 -13.297 -4.001 242 HE22 GLN 35 2HE2 GLN 35 -3.892 -14.454 -2.723 243 H LEU 36 H LEU 36 -7.750 -9.426 -4.339 244 HA LEU 36 HA LEU 36 -9.277 -7.640 -2.635 245 HB2 LEU 36 1HB LEU 36 -10.357 -9.275 -4.908 246 HB3 LEU 36 2HB LEU 36 -10.987 -7.769 -4.245 247 HG LEU 36 HG LEU 36 -8.324 -7.856 -5.622 248 HD11 LEU 36 1HD1 LEU 36 -11.047 -7.654 -6.886 249 HD12 LEU 36 2HD1 LEU 36 -9.763 -8.806 -7.252 250 HD13 LEU 36 3HD1 LEU 36 -9.566 -7.104 -7.671 251 HD21 LEU 36 1HD2 LEU 36 -9.333 -5.900 -4.199 252 HD22 LEU 36 2HD2 LEU 36 -10.269 -5.597 -5.663 253 HD23 LEU 36 3HD2 LEU 36 -8.506 -5.570 -5.722 254 H ASN 37 H ASN 37 -8.901 -11.057 -3.222 255 HA ASN 37 HA ASN 37 -9.775 -12.907 -2.225 256 HB2 ASN 37 1HB ASN 37 -10.084 -10.891 0.002 257 HB3 ASN 37 2HB ASN 37 -10.442 -12.603 0.207 258 HD21 ASN 37 1HD2 ASN 37 -8.091 -10.246 0.386 259 HD22 ASN 37 2HD2 ASN 37 -6.700 -11.267 0.492 260 H GLY 38 H GLY 38 -11.547 -11.140 -3.801 261 HA2 GLY 38 1HA GLY 38 -13.763 -11.828 -4.438 262 HA3 GLY 38 2HA GLY 38 -14.094 -12.177 -2.748 263 H ALA 39 H ALA 39 -12.704 -9.291 -4.287 264 HA ALA 39 HA ALA 39 -15.067 -7.763 -3.455 265 HB1 ALA 39 1HB ALA 39 -13.983 -6.402 -2.042 266 HB2 ALA 39 2HB ALA 39 -12.789 -7.698 -1.965 267 HB3 ALA 39 3HB ALA 39 -12.541 -6.335 -3.056 268 H ARG 40 H ARG 40 -15.771 -6.418 -4.988 269 HA ARG 40 HA ARG 40 -13.973 -5.845 -7.249 270 HB2 ARG 40 1HB ARG 40 -16.875 -6.474 -7.073 271 HB3 ARG 40 2HB ARG 40 -16.370 -5.329 -8.309 272 HG2 ARG 40 1HG ARG 40 -16.504 -7.642 -9.134 273 HG3 ARG 40 2HG ARG 40 -14.885 -6.956 -9.279 274 HD2 ARG 40 1HD ARG 40 -14.590 -9.150 -8.460 275 HD3 ARG 40 2HD ARG 40 -14.353 -8.081 -7.079 276 HE ARG 40 HE ARG 40 -16.268 -8.931 -6.116 277 HH11 ARG 40 1HH1 ARG 40 -15.988 -10.041 -9.403 278 HH12 ARG 40 2HH1 ARG 40 -17.251 -11.217 -9.252 279 HH21 ARG 40 1HH2 ARG 40 -17.933 -10.475 -5.903 280 HH22 ARG 40 2HH2 ARG 40 -18.358 -11.462 -7.261 281 H GLY 41 H GLY 41 -13.542 -3.782 -7.781 282 HA2 GLY 41 1HA GLY 41 -15.178 -1.566 -7.461 283 HA3 GLY 41 2HA GLY 41 -14.235 -1.693 -5.983 284 H VAL 42 H VAL 42 -13.152 0.250 -6.385 285 HA VAL 42 HA VAL 42 -11.112 0.064 -8.502 286 HB VAL 42 HB VAL 42 -12.577 2.565 -7.648 287 HG11 VAL 42 1HG1 VAL 42 -11.069 3.829 -8.746 288 HG12 VAL 42 2HG1 VAL 42 -9.993 2.464 -8.438 289 HG13 VAL 42 3HG1 VAL 42 -10.805 2.615 -9.997 290 HG21 VAL 42 1HG2 VAL 42 -13.435 2.592 -9.930 291 HG22 VAL 42 2HG2 VAL 42 -12.582 1.089 -10.281 292 HG23 VAL 42 3HG2 VAL 42 -13.897 1.103 -9.106 293 H ILE 43 H ILE 43 -9.195 -0.152 -7.567 294 HA ILE 43 HA ILE 43 -8.723 0.756 -4.867 295 HB ILE 43 HB ILE 43 -7.035 -0.713 -6.876 296 HG12 ILE 43 1HG1 ILE 43 -8.887 -1.766 -5.377 297 HG13 ILE 43 2HG1 ILE 43 -7.326 -2.570 -5.499 298 HG21 ILE 43 1HG2 ILE 43 -5.374 0.552 -5.883 299 HG22 ILE 43 2HG2 ILE 43 -6.199 0.603 -4.326 300 HG23 ILE 43 3HG2 ILE 43 -5.412 -0.882 -4.858 301 HD11 ILE 43 1HD1 ILE 43 -6.889 -2.287 -3.332 302 HD12 ILE 43 2HD1 ILE 43 -7.486 -0.628 -3.328 303 HD13 ILE 43 3HD1 ILE 43 -8.617 -1.972 -3.181 304 H ASP 44 H ASP 44 -8.156 2.768 -4.413 305 HA ASP 44 HA ASP 44 -6.666 4.314 -6.425 306 HB2 ASP 44 1HB ASP 44 -8.523 5.610 -6.038 307 HB3 ASP 44 2HB ASP 44 -8.704 5.043 -4.379 308 H ALA 45 H ALA 45 -4.559 4.417 -6.050 309 HA ALA 45 HA ALA 45 -3.601 4.349 -3.271 310 HB1 ALA 45 1HB ALA 45 -2.005 3.856 -5.779 311 HB2 ALA 45 2HB ALA 45 -1.502 3.561 -4.114 312 HB3 ALA 45 3HB ALA 45 -2.786 2.589 -4.832 313 H ARG 46 H ARG 46 -2.605 6.060 -2.401 314 HA ARG 46 HA ARG 46 -1.315 8.057 -4.043 315 HB2 ARG 46 1HB ARG 46 -3.896 8.580 -2.608 316 HB3 ARG 46 2HB ARG 46 -2.719 9.872 -2.802 317 HG2 ARG 46 1HG ARG 46 -2.782 9.476 -5.257 318 HG3 ARG 46 2HG ARG 46 -4.089 8.321 -4.986 319 HD2 ARG 46 1HD ARG 46 -5.269 10.241 -3.765 320 HD3 ARG 46 2HD ARG 46 -4.078 11.288 -4.535 321 HE ARG 46 HE ARG 46 -5.414 9.568 -6.393 322 HH11 ARG 46 1HH1 ARG 46 -5.644 12.564 -4.636 323 HH12 ARG 46 2HH1 ARG 46 -6.725 13.299 -5.773 324 HH21 ARG 46 1HH2 ARG 46 -6.837 10.524 -7.897 325 HH22 ARG 46 2HH2 ARG 46 -7.404 12.137 -7.627 326 H VAL 47 H VAL 47 0.469 8.665 -3.020 327 HA VAL 47 HA VAL 47 0.705 8.154 -0.151 328 HB VAL 47 HB VAL 47 3.126 8.543 -0.491 329 HG11 VAL 47 1HG1 VAL 47 3.319 6.370 -0.924 330 HG12 VAL 47 2HG1 VAL 47 1.591 6.357 -1.284 331 HG13 VAL 47 3HG1 VAL 47 2.762 6.589 -2.583 332 HG21 VAL 47 1HG2 VAL 47 2.170 9.510 -3.060 333 HG22 VAL 47 2HG2 VAL 47 3.706 9.800 -2.244 334 HG23 VAL 47 3HG2 VAL 47 3.486 8.347 -3.219 335 H HIS 48 H HIS 48 1.316 9.714 1.337 336 HA HIS 48 HA HIS 48 1.079 12.499 0.404 337 HB2 HIS 48 1HB HIS 48 0.232 11.239 3.015 338 HB3 HIS 48 2HB HIS 48 0.307 12.980 2.764 339 HD1 HIS 48 1HD HIS 48 -1.681 14.059 1.693 340 HD2 HIS 48 2HD HIS 48 -1.730 9.920 1.328 341 HE1 HIS 48 1HE HIS 48 -3.933 13.495 0.725 342 HE2 HIS 48 2HE HIS 48 -3.971 10.980 0.592 343 H THR 49 H THR 49 2.999 13.454 0.372 344 HA THR 49 HA THR 49 5.244 12.534 1.852 345 HB THR 49 HB THR 49 6.431 14.459 0.965 346 HG1 THR 49 1HG THR 49 4.360 15.803 1.208 347 HG21 THR 49 1HG2 THR 49 4.661 13.706 -1.314 348 HG22 THR 49 2HG2 THR 49 5.589 12.441 -0.508 349 HG23 THR 49 3HG2 THR 49 6.419 13.814 -1.241 350 HA PRO 50 HA PRO 50 4.788 14.660 5.672 351 HB2 PRO 50 1HB PRO 50 7.396 14.974 6.358 352 HB3 PRO 50 2HB PRO 50 6.567 13.414 6.421 353 HG2 PRO 50 1HG PRO 50 8.389 14.507 4.313 354 HG3 PRO 50 2HG PRO 50 8.335 12.877 5.009 355 HD2 PRO 50 1HD PRO 50 7.236 13.473 2.607 356 HD3 PRO 50 2HD PRO 50 6.560 12.235 3.685 357 H SER 51 H SER 51 6.211 16.087 2.943 358 HA SER 51 HA SER 51 6.921 18.593 4.172 359 HB2 SER 51 1HB SER 51 7.108 19.324 1.720 360 HB3 SER 51 2HB SER 51 8.201 18.049 2.259 361 HG SER 51 HG SER 51 7.036 16.568 1.167 362 H GLY 52 H GLY 52 4.423 17.604 1.819 363 HA2 GLY 52 1HA GLY 52 2.146 18.510 2.737 364 HA3 GLY 52 2HA GLY 52 2.935 20.053 2.442 365 H ALA 53 H ALA 53 3.352 17.211 0.425 366 HA ALA 53 HA ALA 53 1.749 18.514 -1.674 367 HB1 ALA 53 1HB ALA 53 4.285 17.010 -2.253 368 HB2 ALA 53 2HB ALA 53 3.370 18.074 -3.322 369 HB3 ALA 53 3HB ALA 53 4.261 18.749 -1.958 370 H VAL 54 H VAL 54 0.229 17.253 -2.526 371 HA VAL 54 HA VAL 54 -0.008 14.510 -1.703 372 HB VAL 54 HB VAL 54 -1.689 16.178 -3.577 373 HG11 VAL 54 1HG1 VAL 54 -3.310 14.156 -2.862 374 HG12 VAL 54 2HG1 VAL 54 -2.341 14.152 -4.337 375 HG13 VAL 54 3HG1 VAL 54 -1.766 13.307 -2.900 376 HG21 VAL 54 1HG2 VAL 54 -1.627 15.755 -0.682 377 HG22 VAL 54 2HG2 VAL 54 -2.348 17.061 -1.623 378 HG23 VAL 54 3HG2 VAL 54 -3.221 15.544 -1.406 379 H GLU 55 H GLU 55 1.372 13.104 -2.617 380 HA GLU 55 HA GLU 55 2.123 13.325 -5.401 381 HB2 GLU 55 1HB GLU 55 2.920 11.580 -3.110 382 HB3 GLU 55 2HB GLU 55 3.254 11.031 -4.746 383 HG2 GLU 55 1HG GLU 55 4.079 13.771 -3.902 384 HG3 GLU 55 2HG GLU 55 5.043 12.372 -3.432 385 H GLU 56 H GLU 56 2.163 11.112 -6.630 386 HA GLU 56 HA GLU 56 -0.426 9.761 -6.281 387 HB2 GLU 56 1HB GLU 56 -0.727 9.744 -8.724 388 HB3 GLU 56 2HB GLU 56 -0.691 11.379 -8.077 389 HG2 GLU 56 1HG GLU 56 1.810 10.145 -9.136 390 HG3 GLU 56 2HG GLU 56 0.612 10.808 -10.246 391 H CYS 57 H CYS 57 -0.530 7.609 -7.060 392 HA CYS 57 HA CYS 57 2.112 6.339 -7.286 393 HB2 CYS 57 1HB CYS 57 -0.522 5.099 -6.462 394 HB3 CYS 57 2HB CYS 57 1.046 4.300 -6.462 395 HG CYS 57 HG CYS 57 2.119 5.807 -4.410 396 H TYR 58 H TYR 58 1.649 3.976 -8.366 397 HA TYR 58 HA TYR 58 0.314 4.522 -10.936 398 HB2 TYR 58 1HB TYR 58 2.831 4.567 -11.049 399 HB3 TYR 58 2HB TYR 58 2.819 2.866 -10.594 400 HD1 TYR 58 2HD TYR 58 1.976 5.276 -13.241 401 HD2 TYR 58 1HD TYR 58 2.187 1.164 -12.172 402 HE1 TYR 58 2HE TYR 58 1.711 4.654 -15.605 403 HE2 TYR 58 1HE TYR 58 1.924 0.530 -14.533 404 HH TYR 58 HH TYR 58 2.520 2.110 -16.939 405 H VAL 59 H VAL 59 -1.428 3.276 -11.058 406 HA VAL 59 HA VAL 59 -1.176 0.442 -10.307 407 HB VAL 59 HB VAL 59 -2.455 1.234 -8.523 408 HG11 VAL 59 1HG1 VAL 59 -2.787 3.506 -9.421 409 HG12 VAL 59 2HG1 VAL 59 -4.084 2.890 -10.447 410 HG13 VAL 59 3HG1 VAL 59 -4.250 2.847 -8.691 411 HG21 VAL 59 1HG2 VAL 59 -4.354 -0.007 -8.704 412 HG22 VAL 59 2HG2 VAL 59 -4.783 0.671 -10.274 413 HG23 VAL 59 3HG2 VAL 59 -3.529 -0.565 -10.160 414 H SER 60 H SER 60 -1.541 -0.812 -12.002 415 HA SER 60 HA SER 60 -2.833 0.234 -14.365 416 HB2 SER 60 1HB SER 60 -0.797 -1.249 -14.430 417 HB3 SER 60 2HB SER 60 -1.824 -2.578 -13.892 418 HG SER 60 HG SER 60 -2.030 -1.089 -16.295 419 H GLU 61 H GLU 61 -4.292 -1.548 -15.523 420 HA GLU 61 HA GLU 61 -6.719 -1.599 -14.094 421 HB2 GLU 61 1HB GLU 61 -7.639 -2.746 -15.972 422 HB3 GLU 61 2HB GLU 61 -6.467 -1.593 -16.595 423 HG2 GLU 61 1HG GLU 61 -5.722 -4.448 -16.090 424 HG3 GLU 61 2HG GLU 61 -6.506 -3.951 -17.588 425 H LEU 62 H LEU 62 -8.014 -3.728 -13.916 426 HA LEU 62 HA LEU 62 -6.580 -5.419 -12.085 427 HB2 LEU 62 1HB LEU 62 -8.947 -4.689 -11.775 428 HB3 LEU 62 2HB LEU 62 -9.390 -5.732 -13.125 429 HG LEU 62 HG LEU 62 -8.417 -7.647 -11.746 430 HD11 LEU 62 1HD1 LEU 62 -8.898 -5.840 -9.409 431 HD12 LEU 62 2HD1 LEU 62 -7.306 -5.948 -10.159 432 HD13 LEU 62 3HD1 LEU 62 -8.055 -7.388 -9.469 433 HD21 LEU 62 1HD2 LEU 62 -10.582 -7.229 -10.106 434 HD22 LEU 62 2HD2 LEU 62 -10.627 -7.964 -11.709 435 HD23 LEU 62 3HD2 LEU 62 -10.959 -6.242 -11.518 436 H ASP 63 H ASP 63 -5.359 -7.054 -12.729 437 HA ASP 63 HA ASP 63 -5.946 -8.376 -15.276 438 HB2 ASP 63 1HB ASP 63 -3.608 -7.451 -14.535 439 HB3 ASP 63 2HB ASP 63 -3.512 -8.958 -13.627 440 H SER 64 H SER 64 -4.673 -9.488 -12.135 441 HA SER 64 HA SER 64 -6.391 -11.867 -12.400 442 HB2 SER 64 1HB SER 64 -4.150 -12.621 -12.482 443 HB3 SER 64 2HB SER 64 -3.647 -11.521 -11.199 444 HG SER 64 HG SER 64 -3.926 -13.749 -10.540 445 H ASP 65 H ASP 65 -7.956 -10.232 -11.404 446 HA ASP 65 HA ASP 65 -9.070 -9.346 -9.606 447 HB2 ASP 65 1HB ASP 65 -8.230 -11.912 -8.255 448 HB3 ASP 65 2HB ASP 65 -9.702 -10.982 -7.985 449 H LYS 66 H LYS 66 -6.191 -8.731 -9.733 450 HA LYS 66 HA LYS 66 -5.903 -7.825 -6.978 451 HB2 LYS 66 1HB LYS 66 -4.659 -9.963 -7.111 452 HB3 LYS 66 2HB LYS 66 -3.694 -9.300 -8.424 453 HG2 LYS 66 1HG LYS 66 -2.562 -7.839 -7.029 454 HG3 LYS 66 2HG LYS 66 -3.809 -7.907 -5.781 455 HD2 LYS 66 1HD LYS 66 -1.888 -9.135 -5.019 456 HD3 LYS 66 2HD LYS 66 -3.185 -10.280 -5.371 457 HE2 LYS 66 1HE LYS 66 -2.160 -10.748 -7.551 458 HE3 LYS 66 2HE LYS 66 -0.859 -9.618 -7.177 459 HZ1 LYS 66 1HZ LYS 66 0.146 -11.091 -5.841 460 HZ2 LYS 66 2HZ LYS 66 -0.751 -12.243 -6.694 461 HZ3 LYS 66 3HZ LYS 66 -1.302 -11.682 -5.196 462 H HIS 67 H HIS 67 -4.743 -5.923 -6.759 463 HA HIS 67 HA HIS 67 -4.032 -4.603 -9.293 464 HB2 HIS 67 1HB HIS 67 -5.097 -3.502 -6.697 465 HB3 HIS 67 2HB HIS 67 -4.357 -2.470 -7.917 466 HD1 HIS 67 1HD HIS 67 -5.571 -2.701 -10.385 467 HD2 HIS 67 2HD HIS 67 -7.758 -3.843 -7.042 468 HE1 HIS 67 1HE HIS 67 -7.976 -2.697 -11.121 469 HE2 HIS 67 2HE HIS 67 -9.287 -3.309 -9.059 470 H THR 68 H THR 68 -2.127 -3.419 -9.441 471 HA THR 68 HA THR 68 -0.176 -3.931 -7.290 472 HB THR 68 HB THR 68 0.478 -3.540 -10.213 473 HG1 THR 68 1HG THR 68 0.686 -6.032 -8.932 474 HG21 THR 68 1HG2 THR 68 2.039 -3.724 -7.785 475 HG22 THR 68 2HG2 THR 68 2.553 -3.314 -9.421 476 HG23 THR 68 3HG2 THR 68 2.469 -5.002 -8.921 477 H ILE 69 H ILE 69 1.132 -2.278 -6.605 478 HA ILE 69 HA ILE 69 0.581 0.382 -7.753 479 HB ILE 69 HB ILE 69 1.420 0.062 -4.900 480 HG12 ILE 69 1HG1 ILE 69 -0.446 -1.399 -4.917 481 HG13 ILE 69 2HG1 ILE 69 -1.066 0.144 -4.339 482 HG21 ILE 69 1HG2 ILE 69 -0.570 2.063 -5.547 483 HG22 ILE 69 2HG2 ILE 69 1.014 2.248 -4.797 484 HG23 ILE 69 3HG2 ILE 69 0.869 2.214 -6.554 485 HD11 ILE 69 1HD1 ILE 69 -1.817 -1.400 -6.658 486 HD12 ILE 69 2HD1 ILE 69 -2.649 -0.057 -5.875 487 HD13 ILE 69 3HD1 ILE 69 -1.404 0.260 -7.083 488 H ARG 70 H ARG 70 2.296 1.892 -7.771 489 HA ARG 70 HA ARG 70 4.959 0.959 -7.059 490 HB2 ARG 70 1HB ARG 70 4.290 0.336 -9.516 491 HB3 ARG 70 2HB ARG 70 4.591 2.041 -9.827 492 HG2 ARG 70 1HG ARG 70 6.856 1.860 -9.299 493 HG3 ARG 70 2HG ARG 70 6.629 0.326 -8.458 494 HD2 ARG 70 1HD ARG 70 7.691 -0.068 -10.590 495 HD3 ARG 70 2HD ARG 70 6.059 -0.735 -10.610 496 HE ARG 70 HE ARG 70 5.963 1.866 -11.636 497 HH11 ARG 70 1HH1 ARG 70 7.249 -1.264 -12.456 498 HH12 ARG 70 2HH1 ARG 70 7.162 -0.996 -14.166 499 HH21 ARG 70 1HH2 ARG 70 5.842 2.230 -13.884 500 HH22 ARG 70 2HH2 ARG 70 6.362 0.992 -14.977 501 H PHE 71 H PHE 71 5.956 2.561 -6.048 502 HA PHE 71 HA PHE 71 5.911 5.252 -7.056 503 HB2 PHE 71 1HB PHE 71 5.063 6.224 -4.894 504 HB3 PHE 71 2HB PHE 71 3.845 5.389 -5.853 505 HD1 PHE 71 1HD PHE 71 6.222 4.816 -3.046 506 HD2 PHE 71 2HD PHE 71 2.504 3.801 -4.852 507 HE1 PHE 71 1HE PHE 71 5.666 3.410 -1.105 508 HE2 PHE 71 2HE PHE 71 1.942 2.394 -2.913 509 HZ PHE 71 HZ PHE 71 3.524 2.198 -1.036 510 H ILE 72 H ILE 72 7.585 6.507 -6.257 511 HA ILE 72 HA ILE 72 9.453 5.099 -4.464 512 HB ILE 72 HB ILE 72 9.987 6.968 -6.764 513 HG12 ILE 72 1HG1 ILE 72 11.186 4.264 -6.173 514 HG13 ILE 72 2HG1 ILE 72 9.688 4.452 -7.079 515 HG21 ILE 72 1HG2 ILE 72 11.669 6.337 -4.397 516 HG22 ILE 72 2HG2 ILE 72 12.454 6.459 -5.971 517 HG23 ILE 72 3HG2 ILE 72 11.544 7.827 -5.332 518 HD11 ILE 72 1HD1 ILE 72 12.204 5.848 -7.907 519 HD12 ILE 72 2HD1 ILE 72 11.854 4.189 -8.392 520 HD13 ILE 72 3HD1 ILE 72 10.765 5.494 -8.863 521 HA PRO 73 HA PRO 73 8.704 8.453 -1.652 522 HB2 PRO 73 1HB PRO 73 10.591 7.750 0.168 523 HB3 PRO 73 2HB PRO 73 9.042 6.913 0.019 524 HG2 PRO 73 1HG PRO 73 11.724 6.137 -1.059 525 HG3 PRO 73 2HG PRO 73 10.498 5.124 -0.275 526 HD2 PRO 73 1HD PRO 73 10.824 5.200 -2.962 527 HD3 PRO 73 2HD PRO 73 9.243 4.934 -2.199 528 H HIS 74 H HIS 74 9.368 10.363 -2.491 529 HA HIS 74 HA HIS 74 11.978 10.926 -3.397 530 HB2 HIS 74 1HB HIS 74 9.579 12.594 -2.731 531 HB3 HIS 74 2HB HIS 74 11.122 13.381 -3.055 532 HD1 HIS 74 1HD HIS 74 9.677 10.386 -4.876 533 HD2 HIS 74 2HD HIS 74 10.677 14.360 -5.559 534 HE1 HIS 74 1HE HIS 74 9.378 10.740 -7.348 535 HE2 HIS 74 2HE HIS 74 10.071 13.127 -7.750 536 H GLU 75 H GLU 75 10.304 11.936 -0.415 537 HA GLU 75 HA GLU 75 12.949 12.437 0.782 538 HB2 GLU 75 1HB GLU 75 11.771 14.498 0.708 539 HB3 GLU 75 2HB GLU 75 10.281 13.750 1.267 540 HG2 GLU 75 1HG GLU 75 11.114 14.953 3.096 541 HG3 GLU 75 2HG GLU 75 11.486 13.262 3.431 542 H ASN 76 H ASN 76 13.463 11.498 2.702 543 HA ASN 76 HA ASN 76 12.303 9.106 3.457 544 HB2 ASN 76 1HB ASN 76 14.184 11.014 4.758 545 HB3 ASN 76 2HB ASN 76 13.468 9.761 5.767 546 HD21 ASN 76 1HD2 ASN 76 13.380 7.587 4.289 547 HD22 ASN 76 2HD2 ASN 76 14.949 7.123 3.732 548 H GLY 77 H GLY 77 11.662 8.863 5.985 549 HA2 GLY 77 1HA GLY 77 10.270 9.690 7.741 550 HA3 GLY 77 2HA GLY 77 9.600 10.860 6.614 551 H VAL 78 H VAL 78 8.019 9.254 8.272 552 HA VAL 78 HA VAL 78 7.045 6.976 6.837 553 HB VAL 78 HB VAL 78 5.810 8.497 9.137 554 HG11 VAL 78 1HG1 VAL 78 3.975 7.345 8.537 555 HG12 VAL 78 2HG1 VAL 78 4.887 6.215 7.534 556 HG13 VAL 78 3HG1 VAL 78 4.807 5.980 9.281 557 HG21 VAL 78 1HG2 VAL 78 6.863 5.825 9.634 558 HG22 VAL 78 2HG2 VAL 78 8.100 6.975 9.127 559 HG23 VAL 78 3HG2 VAL 78 7.099 7.322 10.537 560 H HIS 79 H HIS 79 5.755 7.009 5.129 561 HA HIS 79 HA HIS 79 4.241 9.440 4.526 562 HB2 HIS 79 1HB HIS 79 4.805 7.027 2.789 563 HB3 HIS 79 2HB HIS 79 4.007 8.508 2.268 564 HD1 HIS 79 1HD HIS 79 6.955 8.862 4.490 565 HD2 HIS 79 2HD HIS 79 6.120 8.919 0.421 566 HE1 HIS 79 1HE HIS 79 9.005 9.825 3.397 567 HE2 HIS 79 2HE HIS 79 8.443 9.929 0.944 568 H SER 80 H SER 80 2.052 9.141 3.551 569 HA SER 80 HA SER 80 0.598 7.010 4.976 570 HB2 SER 80 1HB SER 80 0.002 9.895 4.531 571 HB3 SER 80 2HB SER 80 -1.359 8.774 4.544 572 HG SER 80 HG SER 80 0.560 9.178 6.593 573 H ILE 81 H ILE 81 -0.049 5.464 3.642 574 HA ILE 81 HA ILE 81 -0.560 6.076 0.834 575 HB ILE 81 HB ILE 81 -0.736 3.333 2.040 576 HG12 ILE 81 1HG1 ILE 81 1.401 4.348 2.775 577 HG13 ILE 81 2HG1 ILE 81 1.644 3.016 1.650 578 HG21 ILE 81 1HG2 ILE 81 -0.081 4.416 -0.692 579 HG22 ILE 81 2HG2 ILE 81 0.102 2.722 -0.242 580 HG23 ILE 81 3HG2 ILE 81 -1.493 3.474 -0.214 581 HD11 ILE 81 1HD1 ILE 81 1.896 4.707 -0.166 582 HD12 ILE 81 2HD1 ILE 81 1.865 5.957 1.078 583 HD13 ILE 81 3HD1 ILE 81 3.153 4.753 1.070 584 H ASP 82 H ASP 82 -2.550 6.796 0.424 585 HA ASP 82 HA ASP 82 -4.823 5.907 1.984 586 HB2 ASP 82 1HB ASP 82 -4.799 8.230 1.403 587 HB3 ASP 82 2HB ASP 82 -4.541 7.862 -0.300 588 H VAL 83 H VAL 83 -5.546 3.918 1.541 589 HA VAL 83 HA VAL 83 -5.799 3.113 -1.279 590 HB VAL 83 HB VAL 83 -5.637 1.436 1.226 591 HG11 VAL 83 1HG1 VAL 83 -6.679 0.812 -1.450 592 HG12 VAL 83 2HG1 VAL 83 -5.505 -0.342 -0.815 593 HG13 VAL 83 3HG1 VAL 83 -6.971 0.019 0.097 594 HG21 VAL 83 1HG2 VAL 83 -3.755 2.221 -0.899 595 HG22 VAL 83 2HG2 VAL 83 -3.450 1.764 0.777 596 HG23 VAL 83 3HG2 VAL 83 -3.722 0.518 -0.442 597 H LYS 84 H LYS 84 -7.775 3.569 -2.011 598 HA LYS 84 HA LYS 84 -10.079 2.970 -0.274 599 HB2 LYS 84 1HB LYS 84 -9.661 5.072 -2.382 600 HB3 LYS 84 2HB LYS 84 -11.281 4.567 -1.919 601 HG2 LYS 84 1HG LYS 84 -10.793 5.193 0.406 602 HG3 LYS 84 2HG LYS 84 -9.194 5.747 -0.096 603 HD2 LYS 84 1HD LYS 84 -10.057 7.545 -1.293 604 HD3 LYS 84 2HD LYS 84 -11.660 6.817 -1.418 605 HE2 LYS 84 1HE LYS 84 -10.438 7.742 1.176 606 HE3 LYS 84 2HE LYS 84 -11.483 8.749 0.175 607 HZ1 LYS 84 1HZ LYS 84 -12.824 7.753 1.834 608 HZ2 LYS 84 2HZ LYS 84 -12.194 6.212 1.535 609 HZ3 LYS 84 3HZ LYS 84 -13.186 6.958 0.385 610 H PHE 85 H PHE 85 -11.836 1.859 -1.132 611 HA PHE 85 HA PHE 85 -11.496 0.739 -3.827 612 HB2 PHE 85 1HB PHE 85 -10.764 -0.850 -1.963 613 HB3 PHE 85 2HB PHE 85 -12.461 -0.919 -1.500 614 HD1 PHE 85 1HD PHE 85 -10.836 -0.889 -4.851 615 HD2 PHE 85 2HD PHE 85 -13.236 -3.017 -2.053 616 HE1 PHE 85 1HE PHE 85 -11.214 -2.654 -6.523 617 HE2 PHE 85 2HE PHE 85 -13.617 -4.786 -3.720 618 HZ PHE 85 HZ PHE 85 -12.605 -4.606 -5.958 619 H ASN 86 H ASN 86 -13.129 1.787 -4.827 620 HA ASN 86 HA ASN 86 -15.237 2.412 -5.408 621 HB2 ASN 86 1HB ASN 86 -15.393 -0.198 -5.044 622 HB3 ASN 86 2HB ASN 86 -16.403 0.268 -3.678 623 HD21 ASN 86 1HD2 ASN 86 -16.114 0.142 -7.120 624 HD22 ASN 86 2HD2 ASN 86 -17.749 0.565 -7.483 625 H GLY 87 H GLY 87 -14.272 3.988 -3.469 626 HA2 GLY 87 1HA GLY 87 -14.944 5.538 -1.914 627 HA3 GLY 87 2HA GLY 87 -16.594 5.045 -2.264 628 H ALA 88 H ALA 88 -13.803 3.397 -0.781 629 HA ALA 88 HA ALA 88 -15.094 3.308 1.790 630 HB1 ALA 88 1HB ALA 88 -15.092 0.799 1.881 631 HB2 ALA 88 2HB ALA 88 -16.317 1.510 0.830 632 HB3 ALA 88 3HB ALA 88 -14.858 0.806 0.133 633 H HIS 89 H HIS 89 -13.544 3.456 3.266 634 HA HIS 89 HA HIS 89 -10.789 3.165 2.555 635 HB2 HIS 89 1HB HIS 89 -12.304 4.014 4.970 636 HB3 HIS 89 2HB HIS 89 -10.650 3.459 5.210 637 HD1 HIS 89 1HD HIS 89 -8.752 4.908 4.187 638 HD2 HIS 89 2HD HIS 89 -12.566 6.485 3.709 639 HE1 HIS 89 1HE HIS 89 -8.408 7.294 3.470 640 HE2 HIS 89 2HE HIS 89 -10.729 8.252 3.270 641 H ILE 90 H ILE 90 -9.540 1.422 2.710 642 HA ILE 90 HA ILE 90 -10.613 -1.069 3.605 643 HB ILE 90 HB ILE 90 -8.506 -2.045 2.979 644 HG12 ILE 90 1HG1 ILE 90 -7.328 0.628 2.326 645 HG13 ILE 90 2HG1 ILE 90 -7.253 0.043 3.984 646 HG21 ILE 90 1HG2 ILE 90 -8.907 0.093 0.925 647 HG22 ILE 90 2HG2 ILE 90 -8.571 -1.623 0.700 648 HG23 ILE 90 3HG2 ILE 90 -10.167 -1.100 1.238 649 HD11 ILE 90 1HD1 ILE 90 -5.491 -1.183 3.479 650 HD12 ILE 90 2HD1 ILE 90 -6.421 -2.050 2.256 651 HD13 ILE 90 3HD1 ILE 90 -5.552 -0.577 1.824 652 HA PRO 91 HA PRO 91 -9.351 -1.112 7.813 653 HB2 PRO 91 1HB PRO 91 -8.911 -3.767 8.171 654 HB3 PRO 91 2HB PRO 91 -10.529 -3.075 8.009 655 HG2 PRO 91 1HG PRO 91 -8.842 -4.447 5.952 656 HG3 PRO 91 2HG PRO 91 -10.576 -4.625 6.276 657 HD2 PRO 91 1HD PRO 91 -9.622 -3.110 4.245 658 HD3 PRO 91 2HD PRO 91 -11.118 -2.710 5.112 659 H GLY 92 H GLY 92 -7.407 -0.081 8.043 660 HA2 GLY 92 1HA GLY 92 -5.183 -0.811 8.995 661 HA3 GLY 92 2HA GLY 92 -4.982 -1.668 7.473 662 H SER 93 H SER 93 -6.454 0.745 6.223 663 HA SER 93 HA SER 93 -4.014 2.222 5.668 664 HB2 SER 93 1HB SER 93 -5.053 1.918 3.650 665 HB3 SER 93 2HB SER 93 -6.667 1.915 4.361 666 HG SER 93 HG SER 93 -6.768 4.035 4.183 667 HA PRO 94 HA PRO 94 -3.754 4.268 4.502 668 HB2 PRO 94 1HB PRO 94 -1.931 6.073 5.388 669 HB3 PRO 94 2HB PRO 94 -3.459 6.542 4.633 670 HG2 PRO 94 1HG PRO 94 -2.742 6.414 7.537 671 HG3 PRO 94 2HG PRO 94 -3.649 7.662 6.663 672 HD2 PRO 94 1HD PRO 94 -4.861 5.756 8.157 673 HD3 PRO 94 2HD PRO 94 -5.604 6.442 6.697 674 H PHE 95 H PHE 95 -1.936 3.086 4.135 675 HA PHE 95 HA PHE 95 -0.885 1.536 6.308 676 HB2 PHE 95 1HB PHE 95 -0.323 1.637 3.352 677 HB3 PHE 95 2HB PHE 95 0.639 0.640 4.438 678 HD1 PHE 95 1HD PHE 95 -0.945 -0.774 6.135 679 HD2 PHE 95 2HD PHE 95 -1.984 0.549 2.226 680 HE1 PHE 95 1HE PHE 95 -2.623 -2.566 5.979 681 HE2 PHE 95 2HE PHE 95 -3.665 -1.240 2.064 682 HZ PHE 95 HZ PHE 95 -3.987 -2.800 3.942 683 H LYS 96 H LYS 96 0.441 2.532 7.697 684 HA LYS 96 HA LYS 96 2.211 4.640 6.960 685 HB2 LYS 96 1HB LYS 96 2.028 2.961 9.465 686 HB3 LYS 96 2HB LYS 96 3.100 4.344 9.285 687 HG2 LYS 96 1HG LYS 96 0.148 4.606 8.855 688 HG3 LYS 96 2HG LYS 96 0.855 4.684 10.471 689 HD2 LYS 96 1HD LYS 96 2.412 6.467 9.522 690 HD3 LYS 96 2HD LYS 96 1.325 6.516 8.132 691 HE2 LYS 96 1HE LYS 96 0.162 6.738 10.864 692 HE3 LYS 96 2HE LYS 96 1.005 8.133 10.193 693 HZ1 LYS 96 1HZ LYS 96 -0.922 6.843 8.442 694 HZ2 LYS 96 2HZ LYS 96 -0.602 8.487 8.676 695 HZ3 LYS 96 3HZ LYS 96 -1.570 7.649 9.781 696 H ILE 97 H ILE 97 3.897 4.265 5.670 697 HA ILE 97 HA ILE 97 5.503 1.841 6.131 698 HB ILE 97 HB ILE 97 6.370 2.145 3.847 699 HG12 ILE 97 1HG1 ILE 97 4.337 4.382 3.692 700 HG13 ILE 97 2HG1 ILE 97 6.086 4.579 3.682 701 HG21 ILE 97 1HG2 ILE 97 4.235 0.847 4.465 702 HG22 ILE 97 2HG2 ILE 97 3.379 2.170 3.674 703 HG23 ILE 97 3HG2 ILE 97 4.538 1.201 2.765 704 HD11 ILE 97 1HD1 ILE 97 5.167 4.781 1.449 705 HD12 ILE 97 2HD1 ILE 97 6.205 3.359 1.570 706 HD13 ILE 97 3HD1 ILE 97 4.451 3.175 1.583 707 H ARG 98 H ARG 98 7.569 2.021 6.756 708 HA ARG 98 HA ARG 98 8.618 4.691 7.252 709 HB2 ARG 98 1HB ARG 98 8.663 2.863 8.990 710 HB3 ARG 98 2HB ARG 98 9.857 2.040 7.994 711 HG2 ARG 98 1HG ARG 98 11.371 3.937 8.223 712 HG3 ARG 98 2HG ARG 98 10.170 4.779 9.205 713 HD2 ARG 98 1HD ARG 98 10.298 2.533 10.609 714 HD3 ARG 98 2HD ARG 98 11.902 2.462 9.881 715 HE ARG 98 HE ARG 98 11.532 5.022 10.941 716 HH11 ARG 98 1HH1 ARG 98 11.860 1.730 12.023 717 HH12 ARG 98 2HH1 ARG 98 12.565 2.162 13.545 718 HH21 ARG 98 1HH2 ARG 98 12.459 5.605 12.942 719 HH22 ARG 98 2HH2 ARG 98 12.904 4.367 14.067 720 H VAL 99 H VAL 99 9.983 5.658 5.914 721 HA VAL 99 HA VAL 99 11.435 4.014 3.951 722 HB VAL 99 HB VAL 99 10.697 6.942 3.839 723 HG11 VAL 99 1HG1 VAL 99 11.496 6.182 1.320 724 HG12 VAL 99 2HG1 VAL 99 12.454 7.119 2.469 725 HG13 VAL 99 3HG1 VAL 99 12.659 5.370 2.367 726 HG21 VAL 99 1HG2 VAL 99 8.783 5.527 3.465 727 HG22 VAL 99 2HG2 VAL 99 9.291 6.224 1.927 728 HG23 VAL 99 3HG2 VAL 99 9.685 4.548 2.309 729 H GLY 100 H GLY 100 13.561 3.812 4.172 730 HA2 GLY 100 1HA GLY 100 15.742 4.807 4.374 731 HA3 GLY 100 2HA GLY 100 15.057 5.981 5.488 732 H GLU 101 H GLU 101 16.698 3.035 5.185 733 HA GLU 101 HA GLU 101 16.097 2.216 7.927 734 HB2 GLU 101 1HB GLU 101 17.394 0.185 7.370 735 HB3 GLU 101 2HB GLU 101 16.045 0.448 6.274 736 HG2 GLU 101 1HG GLU 101 17.488 1.215 4.550 737 HG3 GLU 101 2HG GLU 101 18.866 1.272 5.647 738 H GLN 102 H GLN 102 17.578 2.221 9.562 739 HA GLN 102 HA GLN 102 19.597 4.122 9.590 740 HB2 GLN 102 1HB GLN 102 19.016 1.740 11.322 741 HB3 GLN 102 2HB GLN 102 20.444 2.725 11.610 742 HG2 GLN 102 1HG GLN 102 19.072 4.681 11.955 743 HG3 GLN 102 2HG GLN 102 17.620 3.763 11.559 744 HE21 GLN 102 1HE2 GLN 102 16.540 2.881 13.175 745 HE22 GLN 102 2HE2 GLN 102 17.137 2.637 14.777 746 H SER 103 H SER 103 21.944 3.715 10.009 747 HA SER 103 HA SER 103 22.956 1.887 7.967 748 HB2 SER 103 1HB SER 103 23.699 4.233 7.883 749 HB3 SER 103 2HB SER 103 24.375 4.077 9.504 750 HG SER 103 HG SER 103 25.179 2.266 7.525 751 H GLN 104 H GLN 104 23.198 -0.119 8.764 752 HA GLN 104 HA GLN 104 24.088 -0.592 11.461 753 HB2 GLN 104 1HB GLN 104 22.470 -2.023 10.006 754 HB3 GLN 104 2HB GLN 104 23.947 -2.711 9.342 755 HG2 GLN 104 1HG GLN 104 24.638 -3.329 11.634 756 HG3 GLN 104 2HG GLN 104 23.086 -2.738 12.225 757 HE21 GLN 104 1HE2 GLN 104 21.215 -3.889 11.760 758 HE22 GLN 104 2HE2 GLN 104 21.255 -5.522 11.197 759 H ALA 105 H ALA 105 25.495 -0.570 8.263 760 HA ALA 105 HA ALA 105 27.602 -1.125 7.507 761 HB1 ALA 105 1HB ALA 105 28.201 1.011 8.062 762 HB2 ALA 105 2HB ALA 105 27.882 0.774 9.781 763 HB3 ALA 105 3HB ALA 105 29.343 0.104 9.054 764 H GLY 106 H GLY 106 26.701 -3.346 8.735 765 HA2 GLY 106 1HA GLY 106 29.148 -4.373 9.984 766 HA3 GLY 106 2HA GLY 106 27.629 -4.585 10.842 767 H SER 107 H SER 107 27.825 -6.847 10.742 768 HA SER 107 HA SER 107 27.984 -8.160 8.175 769 HB2 SER 107 1HB SER 107 27.981 -10.217 9.408 770 HB3 SER 107 2HB SER 107 28.994 -9.082 10.299 771 HG SER 107 HG SER 107 27.163 -8.676 11.648 772 H GLY 108 H GLY 108 26.342 -8.913 6.973 773 HA2 GLY 108 1HA GLY 108 23.622 -8.646 8.096 774 HA3 GLY 108 2HA GLY 108 24.016 -8.363 6.407 775 HA PRO 109 HA PRO 109 22.775 -12.884 7.370 776 HB2 PRO 109 1HB PRO 109 20.166 -12.797 6.625 777 HB3 PRO 109 2HB PRO 109 20.701 -12.511 8.285 778 HG2 PRO 109 1HG PRO 109 19.975 -10.530 6.161 779 HG3 PRO 109 2HG PRO 109 19.550 -10.530 7.883 780 HD2 PRO 109 1HD PRO 109 21.547 -9.005 6.875 781 HD3 PRO 109 2HD PRO 109 21.596 -9.679 8.516 782 H SER 110 H SER 110 21.771 -14.405 5.707 783 HA SER 110 HA SER 110 21.461 -13.567 3.018 784 HB2 SER 110 1HB SER 110 23.501 -14.494 2.051 785 HB3 SER 110 2HB SER 110 23.911 -13.239 3.220 786 HG SER 110 HG SER 110 24.160 -15.044 4.750 787 H SER 111 H SER 111 21.577 -15.553 1.504 788 HA SER 111 HA SER 111 19.695 -17.380 2.113 789 HB2 SER 111 1HB SER 111 22.051 -17.462 0.296 790 HB3 SER 111 2HB SER 111 21.196 -18.977 0.578 791 HG SER 111 HG SER 111 19.255 -17.821 -0.023 792 H GLY 112 H GLY 112 19.441 -18.826 3.674 793 HA2 GLY 112 1HA GLY 112 21.288 -19.516 5.596 794 HA3 GLY 112 2HA GLY 112 19.896 -20.503 5.179 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -28.362 8.301 6.123 2 HA2 GLY 1 1HA GLY 1 -28.414 11.139 5.348 3 HA3 GLY 1 2HA GLY 1 -27.231 10.394 6.412 4 H SER 2 H SER 2 -25.290 10.388 5.514 5 HA SER 2 HA SER 2 -25.090 9.962 2.607 6 HB2 SER 2 1HB SER 2 -22.925 11.136 2.732 7 HB3 SER 2 2HB SER 2 -24.240 12.145 3.334 8 HG SER 2 HG SER 2 -22.208 11.985 4.626 9 H SER 3 H SER 3 -23.431 9.272 5.677 10 HA SER 3 HA SER 3 -21.941 7.107 4.428 11 HB2 SER 3 1HB SER 3 -21.070 8.808 6.223 12 HB3 SER 3 2HB SER 3 -21.845 7.710 7.365 13 HG SER 3 HG SER 3 -19.506 7.382 6.650 14 H GLY 4 H GLY 4 -22.771 5.136 4.294 15 HA2 GLY 4 1HA GLY 4 -24.937 4.371 6.115 16 HA3 GLY 4 2HA GLY 4 -24.526 3.571 4.606 17 H SER 5 H SER 5 -24.733 2.893 7.670 18 HA SER 5 HA SER 5 -22.119 1.717 8.123 19 HB2 SER 5 1HB SER 5 -24.643 1.934 9.742 20 HB3 SER 5 2HB SER 5 -23.364 0.818 10.222 21 HG SER 5 HG SER 5 -22.421 2.481 11.067 22 H SER 6 H SER 6 -25.468 0.494 7.971 23 HA SER 6 HA SER 6 -24.482 -2.207 7.544 24 HB2 SER 6 1HB SER 6 -26.916 -2.807 7.605 25 HB3 SER 6 2HB SER 6 -26.347 -1.986 9.059 26 HG SER 6 HG SER 6 -27.740 -0.475 8.675 27 H GLY 7 H GLY 7 -23.568 -2.111 5.487 28 HA2 GLY 7 1HA GLY 7 -25.538 -2.120 3.317 29 HA3 GLY 7 2HA GLY 7 -24.168 -1.029 3.176 30 H SER 8 H SER 8 -22.938 -1.869 1.610 31 HA SER 8 HA SER 8 -22.324 -4.746 1.720 32 HB2 SER 8 1HB SER 8 -23.398 -3.675 -0.376 33 HB3 SER 8 2HB SER 8 -21.801 -2.985 -0.665 34 HG SER 8 HG SER 8 -21.180 -5.372 -0.275 35 H ASP 9 H ASP 9 -20.681 -4.529 3.283 36 HA ASP 9 HA ASP 9 -18.387 -2.853 2.677 37 HB2 ASP 9 1HB ASP 9 -17.546 -4.107 4.842 38 HB3 ASP 9 2HB ASP 9 -18.730 -2.807 4.955 39 H ASP 10 H ASP 10 -17.378 -3.715 0.906 40 HA ASP 10 HA ASP 10 -16.520 -6.521 1.064 41 HB2 ASP 10 1HB ASP 10 -16.666 -4.624 -1.287 42 HB3 ASP 10 2HB ASP 10 -16.002 -6.254 -1.370 43 H ALA 11 H ALA 11 -15.405 -3.285 1.232 44 HA ALA 11 HA ALA 11 -12.747 -3.569 0.390 45 HB1 ALA 11 1HB ALA 11 -12.604 -1.417 0.944 46 HB2 ALA 11 2HB ALA 11 -14.301 -1.524 1.413 47 HB3 ALA 11 3HB ALA 11 -13.037 -1.740 2.623 48 H ARG 12 H ARG 12 -14.348 -4.823 3.127 49 HA ARG 12 HA ARG 12 -12.136 -4.948 4.914 50 HB2 ARG 12 1HB ARG 12 -14.613 -6.680 4.846 51 HB3 ARG 12 2HB ARG 12 -13.513 -6.491 6.205 52 HG2 ARG 12 1HG ARG 12 -15.266 -4.350 5.018 53 HG3 ARG 12 2HG ARG 12 -15.519 -5.189 6.550 54 HD2 ARG 12 1HD ARG 12 -13.072 -4.298 7.021 55 HD3 ARG 12 2HD ARG 12 -13.544 -3.086 5.830 56 HE ARG 12 HE ARG 12 -14.575 -3.390 8.515 57 HH11 ARG 12 1HH1 ARG 12 -15.035 -1.996 5.359 58 HH12 ARG 12 2HH1 ARG 12 -16.086 -0.739 5.924 59 HH21 ARG 12 1HH2 ARG 12 -15.957 -1.741 9.271 60 HH22 ARG 12 2HH2 ARG 12 -16.609 -0.595 8.149 61 H ARG 13 H ARG 13 -12.763 -6.533 2.043 62 HA ARG 13 HA ARG 13 -11.428 -9.013 2.795 63 HB2 ARG 13 1HB ARG 13 -12.498 -8.151 0.102 64 HB3 ARG 13 2HB ARG 13 -11.956 -9.766 0.541 65 HG2 ARG 13 1HG ARG 13 -13.783 -9.999 2.101 66 HG3 ARG 13 2HG ARG 13 -14.295 -8.339 1.789 67 HD2 ARG 13 1HD ARG 13 -15.088 -8.841 -0.323 68 HD3 ARG 13 2HD ARG 13 -14.064 -10.268 -0.479 69 HE ARG 13 HE ARG 13 -15.925 -10.649 1.605 70 HH11 ARG 13 1HH1 ARG 13 -15.735 -10.476 -1.867 71 HH12 ARG 13 2HH1 ARG 13 -17.102 -11.509 -2.123 72 HH21 ARG 13 1HH2 ARG 13 -17.726 -12.010 1.280 73 HH22 ARG 13 2HH2 ARG 13 -18.234 -12.380 -0.333 74 H LEU 14 H LEU 14 -10.766 -5.996 1.246 75 HA LEU 14 HA LEU 14 -8.507 -6.749 -0.269 76 HB2 LEU 14 1HB LEU 14 -8.858 -4.051 0.994 77 HB3 LEU 14 2HB LEU 14 -8.081 -4.458 -0.535 78 HG LEU 14 HG LEU 14 -11.047 -4.578 0.008 79 HD11 LEU 14 1HD1 LEU 14 -10.900 -2.360 -0.244 80 HD12 LEU 14 2HD1 LEU 14 -10.647 -2.726 -1.951 81 HD13 LEU 14 3HD1 LEU 14 -9.263 -2.443 -0.896 82 HD21 LEU 14 1HD2 LEU 14 -9.339 -5.310 -2.329 83 HD22 LEU 14 2HD2 LEU 14 -10.960 -4.669 -2.600 84 HD23 LEU 14 3HD2 LEU 14 -10.740 -6.142 -1.654 85 H THR 15 H THR 15 -6.401 -6.984 0.240 86 HA THR 15 HA THR 15 -5.388 -6.089 2.811 87 HB THR 15 HB THR 15 -6.213 -8.250 3.459 88 HG1 THR 15 1HG THR 15 -4.197 -7.832 4.332 89 HG21 THR 15 1HG2 THR 15 -5.072 -9.077 0.849 90 HG22 THR 15 2HG2 THR 15 -6.543 -9.610 1.662 91 HG23 THR 15 3HG2 THR 15 -4.977 -10.240 2.171 92 H VAL 16 H VAL 16 -3.033 -6.381 2.995 93 HA VAL 16 HA VAL 16 -1.705 -6.656 0.382 94 HB VAL 16 HB VAL 16 -1.046 -4.553 2.448 95 HG11 VAL 16 1HG1 VAL 16 0.451 -3.678 0.679 96 HG12 VAL 16 2HG1 VAL 16 0.926 -5.274 1.264 97 HG13 VAL 16 3HG1 VAL 16 0.098 -5.111 -0.285 98 HG21 VAL 16 1HG2 VAL 16 -1.722 -3.169 0.239 99 HG22 VAL 16 2HG2 VAL 16 -2.808 -4.551 0.083 100 HG23 VAL 16 3HG2 VAL 16 -2.855 -3.553 1.536 101 H THR 17 H THR 17 0.035 -7.935 0.381 102 HA THR 17 HA THR 17 1.192 -8.697 2.984 103 HB THR 17 HB THR 17 1.754 -10.890 1.956 104 HG1 THR 17 1HG THR 17 -0.028 -10.141 -0.130 105 HG21 THR 17 1HG2 THR 17 -0.105 -11.246 3.204 106 HG22 THR 17 2HG2 THR 17 -0.853 -11.482 1.625 107 HG23 THR 17 3HG2 THR 17 -0.996 -9.928 2.445 108 H SER 18 H SER 18 2.005 -8.830 -0.491 109 HA SER 18 HA SER 18 4.677 -9.058 -0.458 110 HB2 SER 18 1HB SER 18 2.869 -7.424 -2.190 111 HB3 SER 18 2HB SER 18 4.612 -7.258 -2.395 112 HG SER 18 HG SER 18 3.197 -9.718 -2.465 113 H LEU 19 H LEU 19 2.932 -6.028 0.132 114 HA LEU 19 HA LEU 19 4.870 -4.167 0.283 115 HB2 LEU 19 1HB LEU 19 2.520 -3.749 0.821 116 HB3 LEU 19 2HB LEU 19 2.721 -4.589 2.357 117 HG LEU 19 HG LEU 19 4.473 -2.785 2.886 118 HD11 LEU 19 1HD1 LEU 19 3.450 -0.635 1.573 119 HD12 LEU 19 2HD1 LEU 19 3.428 -1.864 0.309 120 HD13 LEU 19 3HD1 LEU 19 4.938 -1.473 1.131 121 HD21 LEU 19 1HD2 LEU 19 2.874 -1.985 4.204 122 HD22 LEU 19 2HD2 LEU 19 1.721 -2.973 3.305 123 HD23 LEU 19 3HD2 LEU 19 2.005 -1.297 2.832 124 H GLN 20 H GLN 20 6.385 -3.421 1.780 125 HA GLN 20 HA GLN 20 7.197 -5.407 3.799 126 HB2 GLN 20 1HB GLN 20 8.701 -4.863 1.730 127 HB3 GLN 20 2HB GLN 20 9.101 -3.409 2.634 128 HG2 GLN 20 1HG GLN 20 10.784 -4.887 3.212 129 HG3 GLN 20 2HG GLN 20 9.659 -5.001 4.564 130 HE21 GLN 20 1HE2 GLN 20 11.260 -6.666 2.074 131 HE22 GLN 20 2HE2 GLN 20 10.546 -8.218 2.329 132 H GLU 21 H GLU 21 6.074 -4.533 5.525 133 HA GLU 21 HA GLU 21 5.605 -2.016 6.314 134 HB2 GLU 21 1HB GLU 21 6.633 -4.238 8.086 135 HB3 GLU 21 2HB GLU 21 5.874 -2.766 8.675 136 HG2 GLU 21 1HG GLU 21 3.803 -3.344 7.592 137 HG3 GLU 21 2HG GLU 21 4.549 -4.760 6.853 138 H THR 22 H THR 22 8.731 -3.621 6.465 139 HA THR 22 HA THR 22 10.024 -1.027 6.748 140 HB THR 22 HB THR 22 11.452 -1.699 8.585 141 HG1 THR 22 1HG THR 22 10.748 -3.750 9.688 142 HG21 THR 22 1HG2 THR 22 8.531 -2.165 9.198 143 HG22 THR 22 2HG2 THR 22 9.370 -0.614 9.201 144 HG23 THR 22 3HG2 THR 22 9.779 -1.841 10.400 145 H GLY 23 H GLY 23 11.736 -0.894 5.441 146 HA2 GLY 23 1HA GLY 23 13.876 -2.337 4.995 147 HA3 GLY 23 2HA GLY 23 12.700 -3.361 4.185 148 H LEU 24 H LEU 24 11.387 -0.511 3.662 149 HA LEU 24 HA LEU 24 12.503 -0.300 1.006 150 HB2 LEU 24 1HB LEU 24 10.405 1.436 2.289 151 HB3 LEU 24 2HB LEU 24 10.737 1.259 0.568 152 HG LEU 24 HG LEU 24 9.579 -0.864 2.373 153 HD11 LEU 24 1HD1 LEU 24 7.612 0.068 1.964 154 HD12 LEU 24 2HD1 LEU 24 7.869 -0.179 0.237 155 HD13 LEU 24 3HD1 LEU 24 8.380 1.328 0.997 156 HD21 LEU 24 1HD2 LEU 24 10.883 -1.916 0.671 157 HD22 LEU 24 2HD2 LEU 24 10.223 -0.852 -0.571 158 HD23 LEU 24 3HD2 LEU 24 9.186 -2.048 0.208 159 H LYS 25 H LYS 25 13.534 1.494 0.128 160 HA LYS 25 HA LYS 25 14.688 3.341 2.111 161 HB2 LYS 25 1HB LYS 25 15.801 1.994 -0.298 162 HB3 LYS 25 2HB LYS 25 16.377 3.617 0.060 163 HG2 LYS 25 1HG LYS 25 16.996 2.851 2.329 164 HG3 LYS 25 2HG LYS 25 16.521 1.215 1.868 165 HD2 LYS 25 1HD LYS 25 18.765 1.117 1.426 166 HD3 LYS 25 2HD LYS 25 18.171 1.674 -0.140 167 HE2 LYS 25 1HE LYS 25 18.889 3.855 0.226 168 HE3 LYS 25 2HE LYS 25 18.967 3.639 1.974 169 HZ1 LYS 25 1HZ LYS 25 21.174 3.699 1.069 170 HZ2 LYS 25 2HZ LYS 25 20.815 2.468 -0.034 171 HZ3 LYS 25 3HZ LYS 25 20.861 2.132 1.624 172 H VAL 26 H VAL 26 15.528 5.421 0.892 173 HA VAL 26 HA VAL 26 13.173 6.713 -0.132 174 HB VAL 26 HB VAL 26 14.697 7.905 1.376 175 HG11 VAL 26 1HG1 VAL 26 16.671 6.978 -0.511 176 HG12 VAL 26 2HG1 VAL 26 16.784 8.724 -0.281 177 HG13 VAL 26 3HG1 VAL 26 16.889 7.641 1.108 178 HG21 VAL 26 1HG2 VAL 26 14.642 9.994 0.271 179 HG22 VAL 26 2HG2 VAL 26 14.757 9.241 -1.319 180 HG23 VAL 26 3HG2 VAL 26 13.281 9.072 -0.369 181 H ASN 27 H ASN 27 13.259 8.078 -2.106 182 HA ASN 27 HA ASN 27 13.211 7.999 -4.404 183 HB2 ASN 27 1HB ASN 27 15.403 8.400 -5.391 184 HB3 ASN 27 2HB ASN 27 15.259 9.281 -3.873 185 HD21 ASN 27 1HD2 ASN 27 17.093 9.278 -2.816 186 HD22 ASN 27 2HD2 ASN 27 18.196 7.954 -2.682 187 H GLN 28 H GLN 28 13.020 5.371 -3.095 188 HA GLN 28 HA GLN 28 14.222 3.688 -5.193 189 HB2 GLN 28 1HB GLN 28 13.696 3.237 -2.294 190 HB3 GLN 28 2HB GLN 28 13.572 1.858 -3.378 191 HG2 GLN 28 1HG GLN 28 15.908 2.688 -4.212 192 HG3 GLN 28 2HG GLN 28 15.953 3.482 -2.639 193 HE21 GLN 28 1HE2 GLN 28 17.859 1.753 -2.957 194 HE22 GLN 28 2HE2 GLN 28 17.556 0.261 -2.140 195 HA PRO 29 HA PRO 29 10.157 2.876 -6.692 196 HB2 PRO 29 1HB PRO 29 10.694 0.606 -8.082 197 HB3 PRO 29 2HB PRO 29 11.179 2.211 -8.639 198 HG2 PRO 29 1HG PRO 29 12.800 0.125 -7.232 199 HG3 PRO 29 2HG PRO 29 13.248 1.151 -8.607 200 HD2 PRO 29 1HD PRO 29 14.031 1.689 -6.071 201 HD3 PRO 29 2HD PRO 29 13.712 2.965 -7.264 202 H ALA 30 H ALA 30 9.026 2.380 -4.796 203 HA ALA 30 HA ALA 30 9.119 -0.409 -3.882 204 HB1 ALA 30 1HB ALA 30 9.451 1.310 -2.169 205 HB2 ALA 30 2HB ALA 30 7.871 1.993 -2.553 206 HB3 ALA 30 3HB ALA 30 7.988 0.369 -1.874 207 H SER 31 H SER 31 7.594 -1.756 -4.551 208 HA SER 31 HA SER 31 4.880 -0.757 -4.996 209 HB2 SER 31 1HB SER 31 4.971 -2.442 -7.067 210 HB3 SER 31 2HB SER 31 5.413 -0.743 -7.228 211 HG SER 31 HG SER 31 7.171 -2.937 -6.843 212 H PHE 32 H PHE 32 3.255 -2.274 -4.679 213 HA PHE 32 HA PHE 32 4.050 -4.985 -3.917 214 HB2 PHE 32 1HB PHE 32 2.255 -4.608 -1.986 215 HB3 PHE 32 2HB PHE 32 3.960 -4.237 -1.753 216 HD1 PHE 32 2HD PHE 32 4.663 -1.791 -2.368 217 HD2 PHE 32 1HD PHE 32 0.682 -3.010 -1.481 218 HE1 PHE 32 2HE PHE 32 4.080 0.532 -1.807 219 HE2 PHE 32 1HE PHE 32 0.092 -0.688 -0.920 220 HZ PHE 32 HZ PHE 32 1.793 1.087 -1.081 221 H ALA 33 H ALA 33 1.916 -6.255 -3.347 222 HA ALA 33 HA ALA 33 0.021 -5.684 -5.526 223 HB1 ALA 33 1HB ALA 33 -0.462 -8.279 -4.746 224 HB2 ALA 33 2HB ALA 33 0.520 -7.776 -6.122 225 HB3 ALA 33 3HB ALA 33 1.286 -8.125 -4.572 226 H VAL 34 H VAL 34 -2.143 -5.561 -5.139 227 HA VAL 34 HA VAL 34 -2.991 -5.753 -2.321 228 HB VAL 34 HB VAL 34 -4.086 -3.921 -4.461 229 HG11 VAL 34 1HG1 VAL 34 -5.820 -3.454 -3.134 230 HG12 VAL 34 2HG1 VAL 34 -5.404 -4.933 -2.265 231 HG13 VAL 34 3HG1 VAL 34 -4.804 -3.375 -1.694 232 HG21 VAL 34 1HG2 VAL 34 -3.196 -2.272 -2.548 233 HG22 VAL 34 2HG2 VAL 34 -2.044 -3.592 -2.346 234 HG23 VAL 34 3HG2 VAL 34 -2.201 -2.790 -3.909 235 H GLN 35 H GLN 35 -3.966 -7.695 -2.182 236 HA GLN 35 HA GLN 35 -5.604 -8.730 -4.317 237 HB2 GLN 35 1HB GLN 35 -4.151 -10.125 -2.774 238 HB3 GLN 35 2HB GLN 35 -5.349 -9.833 -1.521 239 HG2 GLN 35 1HG GLN 35 -7.049 -10.931 -2.845 240 HG3 GLN 35 2HG GLN 35 -5.904 -11.159 -4.165 241 HE21 GLN 35 1HE2 GLN 35 -5.838 -13.335 -4.227 242 HE22 GLN 35 2HE2 GLN 35 -5.287 -14.331 -2.928 243 H LEU 36 H LEU 36 -7.831 -9.118 -4.241 244 HA LEU 36 HA LEU 36 -9.285 -7.310 -2.449 245 HB2 LEU 36 1HB LEU 36 -10.513 -8.721 -4.781 246 HB3 LEU 36 2HB LEU 36 -10.971 -7.189 -4.040 247 HG LEU 36 HG LEU 36 -8.391 -7.488 -5.545 248 HD11 LEU 36 1HD1 LEU 36 -9.965 -8.174 -7.159 249 HD12 LEU 36 2HD1 LEU 36 -9.671 -6.464 -7.472 250 HD13 LEU 36 3HD1 LEU 36 -11.142 -6.968 -6.639 251 HD21 LEU 36 1HD2 LEU 36 -8.243 -5.452 -4.579 252 HD22 LEU 36 2HD2 LEU 36 -9.988 -5.303 -4.367 253 HD23 LEU 36 3HD2 LEU 36 -9.258 -4.976 -5.940 254 H ASN 37 H ASN 37 -9.138 -10.662 -3.515 255 HA ASN 37 HA ASN 37 -9.968 -12.586 -2.632 256 HB2 ASN 37 1HB ASN 37 -10.260 -10.843 -0.177 257 HB3 ASN 37 2HB ASN 37 -10.491 -12.589 -0.185 258 HD21 ASN 37 1HD2 ASN 37 -8.176 -10.005 -0.600 259 HD22 ASN 37 2HD2 ASN 37 -6.766 -10.966 -0.334 260 H GLY 38 H GLY 38 -11.716 -11.316 -4.238 261 HA2 GLY 38 1HA GLY 38 -14.001 -12.069 -4.581 262 HA3 GLY 38 2HA GLY 38 -14.290 -11.783 -2.871 263 H ALA 39 H ALA 39 -12.924 -9.226 -2.817 264 HA ALA 39 HA ALA 39 -15.066 -7.520 -3.346 265 HB1 ALA 39 1HB ALA 39 -12.731 -5.956 -3.436 266 HB2 ALA 39 2HB ALA 39 -13.797 -6.235 -2.058 267 HB3 ALA 39 3HB ALA 39 -12.404 -7.284 -2.321 268 H ARG 40 H ARG 40 -15.393 -5.919 -4.936 269 HA ARG 40 HA ARG 40 -13.776 -6.092 -7.366 270 HB2 ARG 40 1HB ARG 40 -15.715 -7.678 -7.566 271 HB3 ARG 40 2HB ARG 40 -16.789 -6.293 -7.431 272 HG2 ARG 40 1HG ARG 40 -16.630 -6.718 -9.723 273 HG3 ARG 40 2HG ARG 40 -15.562 -5.342 -9.444 274 HD2 ARG 40 1HD ARG 40 -14.226 -6.671 -10.756 275 HD3 ARG 40 2HD ARG 40 -13.744 -7.201 -9.145 276 HE ARG 40 HE ARG 40 -15.705 -8.929 -9.733 277 HH11 ARG 40 1HH1 ARG 40 -12.932 -7.860 -11.547 278 HH12 ARG 40 2HH1 ARG 40 -12.758 -9.353 -12.408 279 HH21 ARG 40 1HH2 ARG 40 -15.486 -10.899 -10.861 280 HH22 ARG 40 2HH2 ARG 40 -14.211 -11.080 -12.018 281 H GLY 41 H GLY 41 -13.105 -4.064 -7.635 282 HA2 GLY 41 1HA GLY 41 -14.931 -1.957 -8.166 283 HA3 GLY 41 2HA GLY 41 -14.245 -1.770 -6.559 284 H VAL 42 H VAL 42 -12.976 -0.010 -6.870 285 HA VAL 42 HA VAL 42 -10.776 -0.316 -8.805 286 HB VAL 42 HB VAL 42 -12.226 2.248 -8.132 287 HG11 VAL 42 1HG1 VAL 42 -9.940 1.815 -10.050 288 HG12 VAL 42 2HG1 VAL 42 -10.737 3.344 -9.673 289 HG13 VAL 42 3HG1 VAL 42 -9.780 2.520 -8.441 290 HG21 VAL 42 1HG2 VAL 42 -13.559 1.777 -9.843 291 HG22 VAL 42 2HG2 VAL 42 -12.156 1.710 -10.911 292 HG23 VAL 42 3HG2 VAL 42 -12.716 0.248 -10.099 293 H ILE 43 H ILE 43 -8.901 -0.461 -7.783 294 HA ILE 43 HA ILE 43 -8.631 0.508 -5.059 295 HB ILE 43 HB ILE 43 -6.652 -0.975 -6.793 296 HG12 ILE 43 1HG1 ILE 43 -8.823 -2.152 -6.124 297 HG13 ILE 43 2HG1 ILE 43 -7.318 -2.961 -5.699 298 HG21 ILE 43 1HG2 ILE 43 -5.593 0.375 -5.033 299 HG22 ILE 43 2HG2 ILE 43 -6.593 -0.434 -3.828 300 HG23 ILE 43 3HG2 ILE 43 -5.404 -1.355 -4.748 301 HD11 ILE 43 1HD1 ILE 43 -8.957 -3.061 -3.896 302 HD12 ILE 43 2HD1 ILE 43 -7.516 -2.164 -3.417 303 HD13 ILE 43 3HD1 ILE 43 -8.995 -1.299 -3.834 304 H ASP 44 H ASP 44 -8.114 2.568 -4.750 305 HA ASP 44 HA ASP 44 -6.206 3.833 -6.606 306 HB2 ASP 44 1HB ASP 44 -8.629 4.850 -5.206 307 HB3 ASP 44 2HB ASP 44 -7.285 5.967 -5.419 308 H ALA 45 H ALA 45 -4.237 3.998 -5.780 309 HA ALA 45 HA ALA 45 -3.942 4.338 -2.871 310 HB1 ALA 45 1HB ALA 45 -2.826 2.373 -3.485 311 HB2 ALA 45 2HB ALA 45 -2.147 3.107 -4.938 312 HB3 ALA 45 3HB ALA 45 -1.551 3.584 -3.349 313 H ARG 46 H ARG 46 -2.754 6.006 -2.040 314 HA ARG 46 HA ARG 46 -1.341 7.803 -3.848 315 HB2 ARG 46 1HB ARG 46 -3.848 8.471 -2.388 316 HB3 ARG 46 2HB ARG 46 -2.594 9.701 -2.459 317 HG2 ARG 46 1HG ARG 46 -2.639 9.694 -4.856 318 HG3 ARG 46 2HG ARG 46 -3.752 8.325 -4.870 319 HD2 ARG 46 1HD ARG 46 -5.273 9.891 -3.459 320 HD3 ARG 46 2HD ARG 46 -4.258 11.174 -4.117 321 HE ARG 46 HE ARG 46 -5.166 9.499 -6.198 322 HH11 ARG 46 1HH1 ARG 46 -6.286 11.943 -3.986 323 HH12 ARG 46 2HH1 ARG 46 -7.546 12.501 -5.036 324 HH21 ARG 46 1HH2 ARG 46 -6.822 10.225 -7.590 325 HH22 ARG 46 2HH2 ARG 46 -7.851 11.522 -7.085 326 H VAL 47 H VAL 47 0.485 8.529 -2.957 327 HA VAL 47 HA VAL 47 0.945 7.984 -0.119 328 HB VAL 47 HB VAL 47 3.344 8.470 -0.681 329 HG11 VAL 47 1HG1 VAL 47 3.227 6.236 -0.669 330 HG12 VAL 47 2HG1 VAL 47 1.719 6.219 -1.584 331 HG13 VAL 47 3HG1 VAL 47 3.261 6.363 -2.427 332 HG21 VAL 47 1HG2 VAL 47 3.935 9.324 -2.646 333 HG22 VAL 47 2HG2 VAL 47 3.085 8.047 -3.515 334 HG23 VAL 47 3HG2 VAL 47 2.223 9.505 -3.026 335 H HIS 48 H HIS 48 1.480 9.534 1.357 336 HA HIS 48 HA HIS 48 1.229 12.325 0.451 337 HB2 HIS 48 1HB HIS 48 0.492 10.990 3.050 338 HB3 HIS 48 2HB HIS 48 0.654 12.739 2.916 339 HD1 HIS 48 1HD HIS 48 -1.415 13.941 2.293 340 HD2 HIS 48 2HD HIS 48 -1.522 9.959 1.112 341 HE1 HIS 48 1HE HIS 48 -3.714 13.584 1.337 342 HE2 HIS 48 2HE HIS 48 -3.784 11.147 0.707 343 H THR 49 H THR 49 3.052 13.444 0.442 344 HA THR 49 HA THR 49 5.422 12.488 1.743 345 HB THR 49 HB THR 49 6.499 14.512 0.837 346 HG1 THR 49 1HG THR 49 3.818 15.166 0.183 347 HG21 THR 49 1HG2 THR 49 6.738 13.249 -0.983 348 HG22 THR 49 2HG2 THR 49 5.247 13.944 -1.618 349 HG23 THR 49 3HG2 THR 49 5.195 12.453 -0.677 350 HA PRO 50 HA PRO 50 5.174 14.626 5.574 351 HB2 PRO 50 1HB PRO 50 7.808 15.058 6.073 352 HB3 PRO 50 2HB PRO 50 7.056 13.463 6.195 353 HG2 PRO 50 1HG PRO 50 8.673 14.628 3.962 354 HG3 PRO 50 2HG PRO 50 8.741 13.000 4.661 355 HD2 PRO 50 1HD PRO 50 7.449 13.537 2.343 356 HD3 PRO 50 2HD PRO 50 6.908 12.275 3.467 357 H SER 51 H SER 51 6.120 16.119 2.737 358 HA SER 51 HA SER 51 6.836 18.668 3.935 359 HB2 SER 51 1HB SER 51 6.521 17.838 1.040 360 HB3 SER 51 2HB SER 51 7.067 19.427 1.576 361 HG SER 51 HG SER 51 8.359 17.051 2.394 362 H GLY 52 H GLY 52 4.491 17.800 1.387 363 HA2 GLY 52 1HA GLY 52 2.125 18.488 2.479 364 HA3 GLY 52 2HA GLY 52 2.830 20.057 2.120 365 H ALA 53 H ALA 53 3.312 17.174 0.174 366 HA ALA 53 HA ALA 53 1.613 18.361 -1.920 367 HB1 ALA 53 1HB ALA 53 3.895 18.795 -2.532 368 HB2 ALA 53 2HB ALA 53 4.331 17.107 -2.267 369 HB3 ALA 53 3HB ALA 53 3.252 17.541 -3.592 370 H VAL 54 H VAL 54 0.013 17.049 -2.474 371 HA VAL 54 HA VAL 54 -0.044 14.305 -1.652 372 HB VAL 54 HB VAL 54 -1.948 15.883 -3.387 373 HG11 VAL 54 1HG1 VAL 54 -2.519 13.769 -4.023 374 HG12 VAL 54 2HG1 VAL 54 -1.923 13.039 -2.531 375 HG13 VAL 54 3HG1 VAL 54 -3.469 13.887 -2.543 376 HG21 VAL 54 1HG2 VAL 54 -1.553 15.644 -0.522 377 HG22 VAL 54 2HG2 VAL 54 -2.531 16.793 -1.434 378 HG23 VAL 54 3HG2 VAL 54 -3.192 15.214 -1.009 379 H GLU 55 H GLU 55 1.175 12.854 -2.683 380 HA GLU 55 HA GLU 55 1.675 13.096 -5.535 381 HB2 GLU 55 1HB GLU 55 2.799 11.457 -3.310 382 HB3 GLU 55 2HB GLU 55 2.954 10.850 -4.953 383 HG2 GLU 55 1HG GLU 55 3.881 13.566 -4.052 384 HG3 GLU 55 2HG GLU 55 4.912 12.141 -4.160 385 H GLU 56 H GLU 56 1.535 11.061 -6.872 386 HA GLU 56 HA GLU 56 -0.897 9.548 -6.181 387 HB2 GLU 56 1HB GLU 56 -1.470 9.503 -8.564 388 HB3 GLU 56 2HB GLU 56 -1.374 11.152 -7.961 389 HG2 GLU 56 1HG GLU 56 1.081 11.015 -8.850 390 HG3 GLU 56 2HG GLU 56 0.428 9.713 -9.842 391 H CYS 57 H CYS 57 -0.920 7.371 -6.613 392 HA CYS 57 HA CYS 57 1.693 6.182 -7.166 393 HB2 CYS 57 1HB CYS 57 -0.783 4.708 -6.282 394 HB3 CYS 57 2HB CYS 57 0.896 4.211 -6.117 395 HG CYS 57 HG CYS 57 1.337 6.517 -4.328 396 H TYR 58 H TYR 58 1.372 3.872 -8.261 397 HA TYR 58 HA TYR 58 -0.315 4.237 -10.646 398 HB2 TYR 58 1HB TYR 58 2.079 4.731 -11.133 399 HB3 TYR 58 2HB TYR 58 2.484 3.090 -10.641 400 HD1 TYR 58 1HD TYR 58 1.072 1.212 -11.898 401 HD2 TYR 58 2HD TYR 58 1.776 5.137 -13.383 402 HE1 TYR 58 1HE TYR 58 0.645 0.417 -14.185 403 HE2 TYR 58 2HE TYR 58 1.349 4.352 -15.675 404 HH TYR 58 HH TYR 58 -0.056 1.348 -16.358 405 H VAL 59 H VAL 59 -1.634 2.590 -11.035 406 HA VAL 59 HA VAL 59 -0.943 -0.061 -9.948 407 HB VAL 59 HB VAL 59 -3.095 -0.454 -9.169 408 HG11 VAL 59 1HG1 VAL 59 -3.332 1.083 -7.510 409 HG12 VAL 59 2HG1 VAL 59 -1.751 1.585 -8.114 410 HG13 VAL 59 3HG1 VAL 59 -3.203 2.455 -8.610 411 HG21 VAL 59 1HG2 VAL 59 -4.474 0.077 -10.975 412 HG22 VAL 59 2HG2 VAL 59 -4.986 1.200 -9.715 413 HG23 VAL 59 3HG2 VAL 59 -3.934 1.756 -11.017 414 H SER 60 H SER 60 -1.012 -1.683 -11.367 415 HA SER 60 HA SER 60 -1.560 -1.180 -14.114 416 HB2 SER 60 1HB SER 60 -0.741 -3.568 -12.509 417 HB3 SER 60 2HB SER 60 -1.339 -3.813 -14.150 418 HG SER 60 HG SER 60 0.856 -2.205 -13.344 419 H GLU 61 H GLU 61 -3.090 -2.376 -15.442 420 HA GLU 61 HA GLU 61 -5.715 -2.067 -14.716 421 HB2 GLU 61 1HB GLU 61 -4.509 -4.025 -16.672 422 HB3 GLU 61 2HB GLU 61 -6.236 -3.726 -16.538 423 HG2 GLU 61 1HG GLU 61 -5.744 -2.304 -18.231 424 HG3 GLU 61 2HG GLU 61 -5.474 -1.223 -16.865 425 H LEU 62 H LEU 62 -7.325 -3.347 -13.860 426 HA LEU 62 HA LEU 62 -6.768 -5.029 -11.771 427 HB2 LEU 62 1HB LEU 62 -8.947 -4.165 -11.945 428 HB3 LEU 62 2HB LEU 62 -9.170 -4.835 -13.560 429 HG LEU 62 HG LEU 62 -8.930 -7.124 -12.255 430 HD11 LEU 62 1HD1 LEU 62 -10.426 -5.750 -10.128 431 HD12 LEU 62 2HD1 LEU 62 -8.684 -5.478 -10.131 432 HD13 LEU 62 3HD1 LEU 62 -9.319 -7.120 -10.040 433 HD21 LEU 62 1HD2 LEU 62 -11.578 -5.980 -11.770 434 HD22 LEU 62 2HD2 LEU 62 -11.100 -7.362 -12.756 435 HD23 LEU 62 3HD2 LEU 62 -10.974 -5.728 -13.408 436 H ASP 63 H ASP 63 -5.413 -6.717 -11.959 437 HA ASP 63 HA ASP 63 -6.167 -8.838 -13.856 438 HB2 ASP 63 1HB ASP 63 -4.219 -8.069 -14.863 439 HB3 ASP 63 2HB ASP 63 -3.471 -7.646 -13.325 440 H SER 64 H SER 64 -6.054 -10.926 -13.112 441 HA SER 64 HA SER 64 -6.257 -12.570 -11.544 442 HB2 SER 64 1HB SER 64 -3.639 -11.258 -11.010 443 HB3 SER 64 2HB SER 64 -4.230 -12.404 -9.806 444 HG SER 64 HG SER 64 -2.964 -13.426 -11.416 445 H ASP 65 H ASP 65 -7.572 -9.977 -10.998 446 HA ASP 65 HA ASP 65 -8.812 -8.999 -9.361 447 HB2 ASP 65 1HB ASP 65 -8.227 -11.467 -7.718 448 HB3 ASP 65 2HB ASP 65 -9.601 -10.376 -7.560 449 H LYS 66 H LYS 66 -5.993 -8.456 -9.475 450 HA LYS 66 HA LYS 66 -5.690 -7.246 -6.874 451 HB2 LYS 66 1HB LYS 66 -3.364 -8.190 -6.586 452 HB3 LYS 66 2HB LYS 66 -4.681 -9.322 -6.309 453 HG2 LYS 66 1HG LYS 66 -4.190 -10.565 -8.153 454 HG3 LYS 66 2HG LYS 66 -3.505 -9.196 -9.031 455 HD2 LYS 66 1HD LYS 66 -1.637 -9.282 -7.249 456 HD3 LYS 66 2HD LYS 66 -2.244 -10.904 -6.913 457 HE2 LYS 66 1HE LYS 66 -0.523 -11.214 -8.478 458 HE3 LYS 66 2HE LYS 66 -2.013 -11.332 -9.413 459 HZ1 LYS 66 1HZ LYS 66 -0.289 -9.961 -10.485 460 HZ2 LYS 66 2HZ LYS 66 -0.364 -8.873 -9.192 461 HZ3 LYS 66 3HZ LYS 66 -1.714 -9.099 -10.186 462 H HIS 67 H HIS 67 -4.437 -5.424 -6.928 463 HA HIS 67 HA HIS 67 -3.319 -4.716 -9.558 464 HB2 HIS 67 1HB HIS 67 -4.379 -2.941 -7.350 465 HB3 HIS 67 2HB HIS 67 -3.620 -2.350 -8.825 466 HD1 HIS 67 1HD HIS 67 -5.016 -2.369 -10.963 467 HD2 HIS 67 2HD HIS 67 -6.971 -4.024 -7.692 468 HE1 HIS 67 1HE HIS 67 -7.414 -2.629 -11.674 469 HE2 HIS 67 2HE HIS 67 -8.594 -3.553 -9.649 470 H THR 68 H THR 68 -1.380 -3.414 -9.594 471 HA THR 68 HA THR 68 0.358 -3.946 -7.274 472 HB THR 68 HB THR 68 1.231 -3.592 -10.146 473 HG1 THR 68 1HG THR 68 -0.017 -5.583 -9.529 474 HG21 THR 68 1HG2 THR 68 3.299 -3.463 -9.329 475 HG22 THR 68 2HG2 THR 68 3.085 -5.012 -8.513 476 HG23 THR 68 3HG2 THR 68 2.650 -3.514 -7.690 477 H ILE 69 H ILE 69 0.546 -2.131 -6.121 478 HA ILE 69 HA ILE 69 0.368 0.477 -7.313 479 HB ILE 69 HB ILE 69 1.363 0.007 -4.526 480 HG12 ILE 69 1HG1 ILE 69 -0.493 -1.484 -4.603 481 HG13 ILE 69 2HG1 ILE 69 -1.078 -0.010 -3.839 482 HG21 ILE 69 1HG2 ILE 69 1.233 2.292 -5.512 483 HG22 ILE 69 2HG2 ILE 69 -0.512 2.082 -5.646 484 HG23 ILE 69 3HG2 ILE 69 0.257 2.080 -4.059 485 HD11 ILE 69 1HD1 ILE 69 -1.551 0.331 -6.566 486 HD12 ILE 69 2HD1 ILE 69 -2.010 -1.333 -6.204 487 HD13 ILE 69 3HD1 ILE 69 -2.733 -0.002 -5.301 488 H ARG 70 H ARG 70 1.988 2.031 -7.478 489 HA ARG 70 HA ARG 70 4.735 1.247 -6.893 490 HB2 ARG 70 1HB ARG 70 3.983 0.633 -9.322 491 HB3 ARG 70 2HB ARG 70 4.151 2.359 -9.613 492 HG2 ARG 70 1HG ARG 70 6.437 2.327 -9.296 493 HG3 ARG 70 2HG ARG 70 6.387 0.837 -8.352 494 HD2 ARG 70 1HD ARG 70 5.817 1.049 -11.306 495 HD3 ARG 70 2HD ARG 70 7.340 0.507 -10.602 496 HE ARG 70 HE ARG 70 5.110 -1.007 -9.659 497 HH11 ARG 70 1HH1 ARG 70 7.337 -0.631 -12.309 498 HH12 ARG 70 2HH1 ARG 70 7.198 -2.277 -12.830 499 HH21 ARG 70 1HH2 ARG 70 4.918 -3.176 -10.337 500 HH22 ARG 70 2HH2 ARG 70 5.821 -3.724 -11.709 501 H PHE 71 H PHE 71 5.693 2.882 -5.896 502 HA PHE 71 HA PHE 71 5.442 5.587 -6.834 503 HB2 PHE 71 1HB PHE 71 4.682 6.444 -4.575 504 HB3 PHE 71 2HB PHE 71 3.453 5.612 -5.523 505 HD1 PHE 71 1HD PHE 71 6.003 4.929 -2.893 506 HD2 PHE 71 2HD PHE 71 2.178 3.991 -4.506 507 HE1 PHE 71 1HE PHE 71 5.583 3.410 -1.004 508 HE2 PHE 71 2HE PHE 71 1.751 2.471 -2.619 509 HZ PHE 71 HZ PHE 71 3.454 2.180 -0.864 510 H ILE 72 H ILE 72 7.106 6.897 -6.138 511 HA ILE 72 HA ILE 72 9.122 5.585 -4.435 512 HB ILE 72 HB ILE 72 9.491 7.464 -6.764 513 HG12 ILE 72 1HG1 ILE 72 10.721 4.750 -6.292 514 HG13 ILE 72 2HG1 ILE 72 9.172 4.953 -7.103 515 HG21 ILE 72 1HG2 ILE 72 11.036 8.241 -5.159 516 HG22 ILE 72 2HG2 ILE 72 11.451 6.604 -4.654 517 HG23 ILE 72 3HG2 ILE 72 11.954 7.191 -6.239 518 HD11 ILE 72 1HD1 ILE 72 10.149 5.505 -9.017 519 HD12 ILE 72 2HD1 ILE 72 11.232 6.651 -8.227 520 HD13 ILE 72 3HD1 ILE 72 11.653 4.940 -8.289 521 HA PRO 73 HA PRO 73 8.357 8.976 -1.662 522 HB2 PRO 73 1HB PRO 73 10.297 8.334 0.125 523 HB3 PRO 73 2HB PRO 73 8.757 7.473 0.030 524 HG2 PRO 73 1HG PRO 73 11.424 6.713 -1.097 525 HG3 PRO 73 2HG PRO 73 10.231 5.699 -0.265 526 HD2 PRO 73 1HD PRO 73 10.492 5.727 -2.960 527 HD3 PRO 73 2HD PRO 73 8.934 5.455 -2.154 528 H HIS 74 H HIS 74 8.980 10.951 -2.277 529 HA HIS 74 HA HIS 74 11.537 11.531 -3.378 530 HB2 HIS 74 1HB HIS 74 9.144 13.145 -2.596 531 HB3 HIS 74 2HB HIS 74 10.663 13.977 -2.913 532 HD1 HIS 74 1HD HIS 74 9.598 10.967 -4.890 533 HD2 HIS 74 2HD HIS 74 9.811 15.095 -5.305 534 HE1 HIS 74 1HE HIS 74 9.162 11.421 -7.325 535 HE2 HIS 74 2HE HIS 74 9.381 13.918 -7.568 536 H GLU 75 H GLU 75 10.253 11.506 -0.172 537 HA GLU 75 HA GLU 75 12.822 12.532 0.829 538 HB2 GLU 75 1HB GLU 75 10.330 13.047 2.392 539 HB3 GLU 75 2HB GLU 75 11.842 13.945 2.369 540 HG2 GLU 75 1HG GLU 75 11.091 14.450 -0.111 541 HG3 GLU 75 2HG GLU 75 9.496 14.128 0.565 542 H ASN 76 H ASN 76 12.893 12.049 3.337 543 HA ASN 76 HA ASN 76 12.413 9.175 3.577 544 HB2 ASN 76 1HB ASN 76 13.953 10.803 5.575 545 HB3 ASN 76 2HB ASN 76 14.143 9.106 5.145 546 HD21 ASN 76 1HD2 ASN 76 14.103 9.512 2.318 547 HD22 ASN 76 2HD2 ASN 76 15.600 10.261 1.890 548 H GLY 77 H GLY 77 11.622 8.290 5.610 549 HA2 GLY 77 1HA GLY 77 10.601 8.846 7.804 550 HA3 GLY 77 2HA GLY 77 9.766 10.147 6.969 551 H VAL 78 H VAL 78 8.070 8.740 8.257 552 HA VAL 78 HA VAL 78 7.159 6.435 6.741 553 HB VAL 78 HB VAL 78 5.905 7.745 9.158 554 HG11 VAL 78 1HG1 VAL 78 4.206 6.494 8.198 555 HG12 VAL 78 2HG1 VAL 78 5.313 5.249 7.616 556 HG13 VAL 78 3HG1 VAL 78 4.927 5.354 9.334 557 HG21 VAL 78 1HG2 VAL 78 8.312 6.591 9.191 558 HG22 VAL 78 2HG2 VAL 78 7.173 6.453 10.530 559 HG23 VAL 78 3HG2 VAL 78 7.313 5.147 9.353 560 H HIS 79 H HIS 79 6.035 6.784 4.943 561 HA HIS 79 HA HIS 79 4.460 9.196 4.611 562 HB2 HIS 79 1HB HIS 79 5.106 6.891 2.771 563 HB3 HIS 79 2HB HIS 79 4.025 8.205 2.316 564 HD1 HIS 79 1HD HIS 79 7.286 8.607 4.189 565 HD2 HIS 79 2HD HIS 79 5.623 9.455 0.477 566 HE1 HIS 79 1HE HIS 79 8.983 10.033 3.002 567 HE2 HIS 79 2HE HIS 79 7.918 10.605 0.792 568 H SER 80 H SER 80 2.230 9.036 3.725 569 HA SER 80 HA SER 80 0.754 6.897 5.110 570 HB2 SER 80 1HB SER 80 0.159 9.792 4.625 571 HB3 SER 80 2HB SER 80 -1.180 8.658 4.801 572 HG SER 80 HG SER 80 -0.855 8.964 6.856 573 H ILE 81 H ILE 81 0.042 5.377 3.780 574 HA ILE 81 HA ILE 81 -0.478 6.005 0.981 575 HB ILE 81 HB ILE 81 -0.778 3.278 2.197 576 HG12 ILE 81 1HG1 ILE 81 1.439 4.382 2.837 577 HG13 ILE 81 2HG1 ILE 81 1.536 2.832 2.007 578 HG21 ILE 81 1HG2 ILE 81 -0.109 4.336 -0.539 579 HG22 ILE 81 2HG2 ILE 81 0.050 2.638 -0.095 580 HG23 ILE 81 3HG2 ILE 81 -1.531 3.416 -0.046 581 HD11 ILE 81 1HD1 ILE 81 2.940 5.054 1.339 582 HD12 ILE 81 2HD1 ILE 81 2.591 3.712 0.248 583 HD13 ILE 81 3HD1 ILE 81 1.573 5.152 0.229 584 H ASP 82 H ASP 82 -2.438 6.709 0.470 585 HA ASP 82 HA ASP 82 -4.743 5.950 2.079 586 HB2 ASP 82 1HB ASP 82 -4.335 7.949 -0.142 587 HB3 ASP 82 2HB ASP 82 -5.932 7.570 0.499 588 H VAL 83 H VAL 83 -5.559 4.006 1.610 589 HA VAL 83 HA VAL 83 -5.850 3.253 -1.222 590 HB VAL 83 HB VAL 83 -5.871 1.469 1.217 591 HG11 VAL 83 1HG1 VAL 83 -5.758 -0.361 -0.470 592 HG12 VAL 83 2HG1 VAL 83 -7.278 0.534 -0.484 593 HG13 VAL 83 3HG1 VAL 83 -6.062 0.840 -1.724 594 HG21 VAL 83 1HG2 VAL 83 -3.656 1.451 1.072 595 HG22 VAL 83 2HG2 VAL 83 -3.777 0.836 -0.577 596 HG23 VAL 83 3HG2 VAL 83 -3.717 2.575 -0.286 597 H LYS 84 H LYS 84 -7.812 3.727 -1.961 598 HA LYS 84 HA LYS 84 -10.127 3.273 -0.195 599 HB2 LYS 84 1HB LYS 84 -9.564 5.315 -2.303 600 HB3 LYS 84 2HB LYS 84 -11.229 4.819 -2.032 601 HG2 LYS 84 1HG LYS 84 -10.675 5.319 0.466 602 HG3 LYS 84 2HG LYS 84 -9.371 6.289 -0.223 603 HD2 LYS 84 1HD LYS 84 -11.132 7.803 -0.010 604 HD3 LYS 84 2HD LYS 84 -11.204 7.319 -1.706 605 HE2 LYS 84 1HE LYS 84 -13.425 7.227 -0.985 606 HE3 LYS 84 2HE LYS 84 -12.884 5.550 -0.938 607 HZ1 LYS 84 1HZ LYS 84 -14.170 6.389 1.050 608 HZ2 LYS 84 2HZ LYS 84 -12.799 7.295 1.450 609 HZ3 LYS 84 3HZ LYS 84 -12.706 5.608 1.382 610 H PHE 85 H PHE 85 -11.994 2.295 -1.068 611 HA PHE 85 HA PHE 85 -11.635 0.949 -3.656 612 HB2 PHE 85 1HB PHE 85 -11.140 -0.556 -1.661 613 HB3 PHE 85 2HB PHE 85 -12.848 -0.420 -1.256 614 HD1 PHE 85 1HD PHE 85 -10.927 -0.984 -4.409 615 HD2 PHE 85 2HD PHE 85 -14.024 -2.303 -1.804 616 HE1 PHE 85 1HE PHE 85 -11.435 -2.831 -5.953 617 HE2 PHE 85 2HE PHE 85 -14.536 -4.152 -3.343 618 HZ PHE 85 HZ PHE 85 -13.241 -4.419 -5.421 619 H ASN 86 H ASN 86 -13.147 1.880 -4.886 620 HA ASN 86 HA ASN 86 -15.142 2.736 -5.589 621 HB2 ASN 86 1HB ASN 86 -15.514 0.158 -5.109 622 HB3 ASN 86 2HB ASN 86 -16.591 0.778 -3.861 623 HD21 ASN 86 1HD2 ASN 86 -16.100 0.278 -7.215 624 HD22 ASN 86 2HD2 ASN 86 -17.636 0.858 -7.753 625 H GLY 87 H GLY 87 -14.110 4.202 -3.498 626 HA2 GLY 87 1HA GLY 87 -14.821 5.942 -2.159 627 HA3 GLY 87 2HA GLY 87 -16.478 5.470 -2.505 628 H ALA 88 H ALA 88 -13.847 3.635 -0.982 629 HA ALA 88 HA ALA 88 -15.126 3.806 1.612 630 HB1 ALA 88 1HB ALA 88 -14.845 1.091 1.479 631 HB2 ALA 88 2HB ALA 88 -16.363 1.969 1.290 632 HB3 ALA 88 3HB ALA 88 -15.442 1.483 -0.133 633 H HIS 89 H HIS 89 -13.638 3.786 3.177 634 HA HIS 89 HA HIS 89 -10.870 3.422 2.493 635 HB2 HIS 89 1HB HIS 89 -12.388 4.377 4.866 636 HB3 HIS 89 2HB HIS 89 -10.764 3.757 5.146 637 HD1 HIS 89 1HD HIS 89 -8.790 5.127 4.191 638 HD2 HIS 89 2HD HIS 89 -12.523 6.814 3.497 639 HE1 HIS 89 1HE HIS 89 -8.334 7.478 3.424 640 HE2 HIS 89 2HE HIS 89 -10.609 8.506 3.091 641 H ILE 90 H ILE 90 -9.627 1.683 2.814 642 HA ILE 90 HA ILE 90 -10.833 -0.768 3.692 643 HB ILE 90 HB ILE 90 -8.758 -1.833 3.128 644 HG12 ILE 90 1HG1 ILE 90 -7.456 0.792 2.502 645 HG13 ILE 90 2HG1 ILE 90 -7.434 0.186 4.154 646 HG21 ILE 90 1HG2 ILE 90 -9.147 -1.647 0.942 647 HG22 ILE 90 2HG2 ILE 90 -10.290 -0.369 1.352 648 HG23 ILE 90 3HG2 ILE 90 -8.630 0.038 0.918 649 HD11 ILE 90 1HD1 ILE 90 -6.638 -1.808 2.191 650 HD12 ILE 90 2HD1 ILE 90 -5.597 -0.384 2.216 651 HD13 ILE 90 3HD1 ILE 90 -5.857 -1.312 3.692 652 HA PRO 91 HA PRO 91 -9.672 -0.765 7.929 653 HB2 PRO 91 1HB PRO 91 -9.326 -3.424 8.351 654 HB3 PRO 91 2HB PRO 91 -10.917 -2.685 8.136 655 HG2 PRO 91 1HG PRO 91 -9.227 -4.152 6.149 656 HG3 PRO 91 2HG PRO 91 -10.973 -4.268 6.434 657 HD2 PRO 91 1HD PRO 91 -9.922 -2.828 4.396 658 HD3 PRO 91 2HD PRO 91 -11.425 -2.363 5.218 659 H GLY 92 H GLY 92 -7.701 0.209 8.183 660 HA2 GLY 92 1HA GLY 92 -5.525 -0.568 9.204 661 HA3 GLY 92 2HA GLY 92 -5.316 -1.467 7.708 662 H SER 93 H SER 93 -6.707 1.006 6.422 663 HA SER 93 HA SER 93 -4.198 2.376 5.871 664 HB2 SER 93 1HB SER 93 -5.202 2.072 3.837 665 HB3 SER 93 2HB SER 93 -6.830 2.124 4.512 666 HG SER 93 HG SER 93 -6.853 4.259 4.349 667 HA PRO 94 HA PRO 94 -3.855 4.391 4.668 668 HB2 PRO 94 1HB PRO 94 -1.994 6.158 5.552 669 HB3 PRO 94 2HB PRO 94 -3.493 6.658 4.760 670 HG2 PRO 94 1HG PRO 94 -2.832 6.566 7.678 671 HG3 PRO 94 2HG PRO 94 -3.685 7.823 6.764 672 HD2 PRO 94 1HD PRO 94 -4.982 5.985 8.271 673 HD3 PRO 94 2HD PRO 94 -5.677 6.664 6.786 674 H PHE 95 H PHE 95 -1.998 3.225 4.350 675 HA PHE 95 HA PHE 95 -1.026 1.709 6.611 676 HB2 PHE 95 1HB PHE 95 -0.529 1.586 3.644 677 HB3 PHE 95 2HB PHE 95 0.412 0.621 4.777 678 HD1 PHE 95 1HD PHE 95 -1.352 -0.442 6.669 679 HD2 PHE 95 2HD PHE 95 -2.105 0.342 2.553 680 HE1 PHE 95 1HE PHE 95 -3.112 -2.162 6.666 681 HE2 PHE 95 2HE PHE 95 -3.866 -1.375 2.545 682 HZ PHE 95 HZ PHE 95 -4.373 -2.629 4.603 683 H LYS 96 H LYS 96 0.434 2.636 7.892 684 HA LYS 96 HA LYS 96 2.257 4.644 6.973 685 HB2 LYS 96 1HB LYS 96 2.398 3.158 9.594 686 HB3 LYS 96 2HB LYS 96 3.020 4.762 9.230 687 HG2 LYS 96 1HG LYS 96 0.094 4.212 9.008 688 HG3 LYS 96 2HG LYS 96 0.828 4.507 10.586 689 HD2 LYS 96 1HD LYS 96 1.459 6.394 8.377 690 HD3 LYS 96 2HD LYS 96 -0.148 6.476 9.103 691 HE2 LYS 96 1HE LYS 96 0.964 7.925 10.471 692 HE3 LYS 96 2HE LYS 96 1.251 6.420 11.344 693 HZ1 LYS 96 1HZ LYS 96 3.266 7.774 11.067 694 HZ2 LYS 96 2HZ LYS 96 3.136 7.619 9.388 695 HZ3 LYS 96 3HZ LYS 96 3.412 6.252 10.344 696 H ILE 97 H ILE 97 3.801 4.002 5.586 697 HA ILE 97 HA ILE 97 5.339 1.579 6.231 698 HB ILE 97 HB ILE 97 6.132 1.648 3.900 699 HG12 ILE 97 1HG1 ILE 97 4.127 3.880 3.518 700 HG13 ILE 97 2HG1 ILE 97 5.866 4.130 3.638 701 HG21 ILE 97 1HG2 ILE 97 3.130 1.782 3.922 702 HG22 ILE 97 2HG2 ILE 97 4.175 0.771 2.925 703 HG23 ILE 97 3HG2 ILE 97 4.026 0.450 4.653 704 HD11 ILE 97 1HD1 ILE 97 5.929 3.911 1.436 705 HD12 ILE 97 2HD1 ILE 97 5.583 2.197 1.674 706 HD13 ILE 97 3HD1 ILE 97 4.265 3.331 1.378 707 H ARG 98 H ARG 98 7.478 1.677 6.646 708 HA ARG 98 HA ARG 98 8.638 4.292 7.083 709 HB2 ARG 98 1HB ARG 98 8.893 2.421 8.717 710 HB3 ARG 98 2HB ARG 98 9.869 1.568 7.528 711 HG2 ARG 98 1HG ARG 98 10.662 4.327 8.303 712 HG3 ARG 98 2HG ARG 98 10.972 3.002 9.427 713 HD2 ARG 98 1HD ARG 98 12.201 1.809 7.684 714 HD3 ARG 98 2HD ARG 98 11.878 3.122 6.552 715 HE ARG 98 HE ARG 98 13.625 4.258 7.471 716 HH11 ARG 98 1HH1 ARG 98 12.523 1.882 9.765 717 HH12 ARG 98 2HH1 ARG 98 13.788 2.205 10.904 718 HH21 ARG 98 1HH2 ARG 98 15.294 4.692 8.963 719 HH22 ARG 98 2HH2 ARG 98 15.363 3.804 10.447 720 H VAL 99 H VAL 99 10.255 5.226 5.941 721 HA VAL 99 HA VAL 99 11.386 3.712 3.682 722 HB VAL 99 HB VAL 99 10.442 6.581 3.643 723 HG11 VAL 99 1HG1 VAL 99 12.603 6.167 2.435 724 HG12 VAL 99 2HG1 VAL 99 11.725 5.051 1.388 725 HG13 VAL 99 3HG1 VAL 99 11.285 6.759 1.425 726 HG21 VAL 99 1HG2 VAL 99 8.780 5.900 2.137 727 HG22 VAL 99 2HG2 VAL 99 9.555 4.342 1.847 728 HG23 VAL 99 3HG2 VAL 99 8.770 4.662 3.394 729 H GLY 100 H GLY 100 13.428 3.371 4.365 730 HA2 GLY 100 1HA GLY 100 15.517 4.947 4.134 731 HA3 GLY 100 2HA GLY 100 14.889 5.554 5.659 732 H GLU 101 H GLU 101 17.425 4.145 4.956 733 HA GLU 101 HA GLU 101 17.161 1.645 6.439 734 HB2 GLU 101 1HB GLU 101 18.480 1.698 4.338 735 HB3 GLU 101 2HB GLU 101 19.590 2.836 5.090 736 HG2 GLU 101 1HG GLU 101 20.663 0.790 5.292 737 HG3 GLU 101 2HG GLU 101 19.931 1.038 6.876 738 H GLN 102 H GLN 102 17.518 1.552 8.548 739 HA GLN 102 HA GLN 102 18.476 3.810 10.009 740 HB2 GLN 102 1HB GLN 102 18.065 2.517 11.974 741 HB3 GLN 102 2HB GLN 102 16.764 2.174 10.842 742 HG2 GLN 102 1HG GLN 102 18.165 0.140 10.155 743 HG3 GLN 102 2HG GLN 102 19.061 0.432 11.645 744 HE21 GLN 102 1HE2 GLN 102 17.464 -1.861 10.951 745 HE22 GLN 102 2HE2 GLN 102 16.211 -1.973 12.135 746 H SER 103 H SER 103 20.371 4.020 11.211 747 HA SER 103 HA SER 103 22.465 2.016 10.797 748 HB2 SER 103 1HB SER 103 22.833 4.965 10.218 749 HB3 SER 103 2HB SER 103 24.096 3.736 10.154 750 HG SER 103 HG SER 103 22.179 4.364 8.316 751 H GLN 104 H GLN 104 24.355 2.377 12.214 752 HA GLN 104 HA GLN 104 24.306 4.211 14.353 753 HB2 GLN 104 1HB GLN 104 23.771 2.684 16.203 754 HB3 GLN 104 2HB GLN 104 22.400 2.901 15.123 755 HG2 GLN 104 1HG GLN 104 22.498 0.756 14.337 756 HG3 GLN 104 2HG GLN 104 24.222 0.596 14.669 757 HE21 GLN 104 1HE2 GLN 104 21.050 0.117 15.830 758 HE22 GLN 104 2HE2 GLN 104 21.465 -0.555 17.366 759 H ALA 105 H ALA 105 25.900 3.534 16.115 760 HA ALA 105 HA ALA 105 28.112 2.064 14.840 761 HB1 ALA 105 1HB ALA 105 29.413 3.430 16.701 762 HB2 ALA 105 2HB ALA 105 29.022 4.132 15.130 763 HB3 ALA 105 3HB ALA 105 28.020 4.499 16.535 764 H GLY 106 H GLY 106 29.750 1.348 16.696 765 HA2 GLY 106 1HA GLY 106 28.852 0.566 19.207 766 HA3 GLY 106 2HA GLY 106 28.435 -0.735 18.101 767 H SER 107 H SER 107 30.367 -0.587 20.364 768 HA SER 107 HA SER 107 32.673 -1.647 18.892 769 HB2 SER 107 1HB SER 107 32.869 0.252 21.244 770 HB3 SER 107 2HB SER 107 34.228 -0.537 20.442 771 HG SER 107 HG SER 107 33.137 0.565 18.480 772 H GLY 108 H GLY 108 34.166 -2.879 20.405 773 HA2 GLY 108 1HA GLY 108 33.706 -3.798 22.892 774 HA3 GLY 108 2HA GLY 108 32.526 -4.699 21.953 775 HA PRO 109 HA PRO 109 36.408 -7.191 22.011 776 HB2 PRO 109 1HB PRO 109 35.139 -9.564 22.370 777 HB3 PRO 109 2HB PRO 109 35.585 -8.501 23.710 778 HG2 PRO 109 1HG PRO 109 32.938 -8.829 22.352 779 HG3 PRO 109 2HG PRO 109 33.297 -8.685 24.082 780 HD2 PRO 109 1HD PRO 109 32.395 -6.604 22.604 781 HD3 PRO 109 2HD PRO 109 33.499 -6.391 23.978 782 H SER 110 H SER 110 37.281 -8.121 20.246 783 HA SER 110 HA SER 110 35.459 -8.898 18.062 784 HB2 SER 110 1HB SER 110 38.148 -7.525 17.920 785 HB3 SER 110 2HB SER 110 37.343 -8.229 16.518 786 HG SER 110 HG SER 110 35.517 -6.826 17.147 787 H SER 111 H SER 111 35.413 -11.075 18.297 788 HA SER 111 HA SER 111 37.421 -12.754 19.170 789 HB2 SER 111 1HB SER 111 35.217 -13.294 17.169 790 HB3 SER 111 2HB SER 111 36.225 -14.551 17.887 791 HG SER 111 HG SER 111 34.677 -12.715 19.395 792 H GLY 112 H GLY 112 36.594 -12.040 15.770 793 HA2 GLY 112 1HA GLY 112 38.917 -11.490 14.627 794 HA3 GLY 112 2HA GLY 112 39.131 -13.210 14.920 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -30.332 -7.442 -5.510 2 HA2 GLY 1 1HA GLY 1 -29.232 -10.117 -5.014 3 HA3 GLY 1 2HA GLY 1 -28.364 -9.048 -6.107 4 H SER 2 H SER 2 -26.757 -7.956 -5.217 5 HA SER 2 HA SER 2 -26.936 -7.292 -2.350 6 HB2 SER 2 1HB SER 2 -24.485 -7.555 -2.230 7 HB3 SER 2 2HB SER 2 -25.273 -9.052 -2.727 8 HG SER 2 HG SER 2 -24.268 -7.204 -4.612 9 H SER 3 H SER 3 -27.903 -5.567 -4.294 10 HA SER 3 HA SER 3 -26.008 -3.344 -4.029 11 HB2 SER 3 1HB SER 3 -25.749 -4.155 -6.318 12 HB3 SER 3 2HB SER 3 -27.492 -4.063 -6.570 13 HG SER 3 HG SER 3 -27.313 -1.788 -6.206 14 H GLY 4 H GLY 4 -27.026 -1.220 -4.234 15 HA2 GLY 4 1HA GLY 4 -29.113 0.047 -4.421 16 HA3 GLY 4 2HA GLY 4 -29.915 -1.297 -3.622 17 H SER 5 H SER 5 -29.179 -1.767 -1.372 18 HA SER 5 HA SER 5 -28.899 0.764 0.063 19 HB2 SER 5 1HB SER 5 -30.016 -1.920 0.716 20 HB3 SER 5 2HB SER 5 -29.355 -0.968 2.045 21 HG SER 5 HG SER 5 -30.739 0.778 1.167 22 H SER 6 H SER 6 -27.208 1.260 1.358 23 HA SER 6 HA SER 6 -24.744 -0.069 0.965 24 HB2 SER 6 1HB SER 6 -25.669 2.153 2.758 25 HB3 SER 6 2HB SER 6 -24.061 1.461 2.971 26 HG SER 6 HG SER 6 -24.980 3.153 1.050 27 H GLY 7 H GLY 7 -23.340 -0.656 2.953 28 HA2 GLY 7 1HA GLY 7 -23.690 -1.516 5.325 29 HA3 GLY 7 2HA GLY 7 -24.924 -2.530 4.592 30 H SER 8 H SER 8 -23.820 -3.513 2.373 31 HA SER 8 HA SER 8 -22.162 -5.563 3.286 32 HB2 SER 8 1HB SER 8 -23.609 -5.415 1.135 33 HB3 SER 8 2HB SER 8 -22.174 -4.695 0.406 34 HG SER 8 HG SER 8 -22.042 -7.138 1.814 35 H ASP 9 H ASP 9 -20.103 -5.537 3.861 36 HA ASP 9 HA ASP 9 -18.344 -3.467 2.725 37 HB2 ASP 9 1HB ASP 9 -18.353 -4.863 5.391 38 HB3 ASP 9 2HB ASP 9 -16.911 -4.052 4.789 39 H ASP 10 H ASP 10 -17.101 -4.229 1.153 40 HA ASP 10 HA ASP 10 -16.145 -7.005 1.317 41 HB2 ASP 10 1HB ASP 10 -16.516 -5.145 -1.031 42 HB3 ASP 10 2HB ASP 10 -15.637 -6.667 -1.149 43 H ALA 11 H ALA 11 -15.160 -3.698 1.288 44 HA ALA 11 HA ALA 11 -12.507 -3.918 0.446 45 HB1 ALA 11 1HB ALA 11 -12.777 -2.005 2.587 46 HB2 ALA 11 2HB ALA 11 -12.488 -1.736 0.867 47 HB3 ALA 11 3HB ALA 11 -14.138 -1.904 1.469 48 H ARG 12 H ARG 12 -14.012 -5.130 3.251 49 HA ARG 12 HA ARG 12 -11.802 -5.076 5.031 50 HB2 ARG 12 1HB ARG 12 -13.078 -6.534 6.421 51 HB3 ARG 12 2HB ARG 12 -14.210 -5.411 5.679 52 HG2 ARG 12 1HG ARG 12 -15.094 -7.037 4.270 53 HG3 ARG 12 2HG ARG 12 -13.701 -8.102 4.473 54 HD2 ARG 12 1HD ARG 12 -15.575 -7.395 6.720 55 HD3 ARG 12 2HD ARG 12 -15.814 -8.794 5.674 56 HE ARG 12 HE ARG 12 -13.226 -8.961 6.637 57 HH11 ARG 12 1HH1 ARG 12 -16.455 -8.949 7.938 58 HH12 ARG 12 2HH1 ARG 12 -16.049 -9.936 9.303 59 HH21 ARG 12 1HH2 ARG 12 -12.679 -10.260 8.431 60 HH22 ARG 12 2HH2 ARG 12 -13.900 -10.680 9.583 61 H ARG 13 H ARG 13 -12.712 -7.136 2.402 62 HA ARG 13 HA ARG 13 -11.039 -9.343 3.173 63 HB2 ARG 13 1HB ARG 13 -12.214 -8.753 0.453 64 HB3 ARG 13 2HB ARG 13 -11.626 -10.303 1.039 65 HG2 ARG 13 1HG ARG 13 -13.444 -10.555 2.509 66 HG3 ARG 13 2HG ARG 13 -13.916 -8.863 2.339 67 HD2 ARG 13 1HD ARG 13 -14.884 -9.198 0.286 68 HD3 ARG 13 2HD ARG 13 -13.858 -10.581 -0.091 69 HE ARG 13 HE ARG 13 -16.423 -10.681 1.054 70 HH11 ARG 13 1HH1 ARG 13 -13.270 -12.119 1.386 71 HH12 ARG 13 2HH1 ARG 13 -13.875 -13.616 2.014 72 HH21 ARG 13 1HH2 ARG 13 -17.232 -12.647 1.881 73 HH22 ARG 13 2HH2 ARG 13 -16.129 -13.915 2.295 74 H LEU 14 H LEU 14 -10.477 -6.314 1.816 75 HA LEU 14 HA LEU 14 -8.336 -6.959 0.053 76 HB2 LEU 14 1HB LEU 14 -8.940 -4.366 1.467 77 HB3 LEU 14 2HB LEU 14 -7.842 -4.569 0.104 78 HG LEU 14 HG LEU 14 -10.833 -4.969 0.039 79 HD11 LEU 14 1HD1 LEU 14 -10.722 -2.708 0.026 80 HD12 LEU 14 2HD1 LEU 14 -10.371 -2.983 -1.680 81 HD13 LEU 14 3HD1 LEU 14 -9.054 -2.679 -0.547 82 HD21 LEU 14 1HD2 LEU 14 -8.733 -5.862 -1.710 83 HD22 LEU 14 2HD2 LEU 14 -9.778 -4.711 -2.541 84 HD23 LEU 14 3HD2 LEU 14 -10.469 -6.156 -1.802 85 H THR 15 H THR 15 -6.342 -7.563 0.545 86 HA THR 15 HA THR 15 -5.158 -6.668 3.079 87 HB THR 15 HB THR 15 -4.122 -8.926 3.361 88 HG1 THR 15 1HG THR 15 -5.408 -10.624 2.203 89 HG21 THR 15 1HG2 THR 15 -6.068 -8.288 4.685 90 HG22 THR 15 2HG2 THR 15 -6.139 -10.001 4.271 91 HG23 THR 15 3HG2 THR 15 -7.141 -8.840 3.400 92 H VAL 16 H VAL 16 -2.911 -6.444 3.074 93 HA VAL 16 HA VAL 16 -1.619 -6.710 0.437 94 HB VAL 16 HB VAL 16 -1.190 -4.489 2.440 95 HG11 VAL 16 1HG1 VAL 16 0.562 -3.730 1.212 96 HG12 VAL 16 2HG1 VAL 16 0.718 -5.449 0.843 97 HG13 VAL 16 3HG1 VAL 16 -0.079 -4.368 -0.302 98 HG21 VAL 16 1HG2 VAL 16 -1.979 -3.197 0.271 99 HG22 VAL 16 2HG2 VAL 16 -2.800 -4.724 -0.048 100 HG23 VAL 16 3HG2 VAL 16 -3.137 -3.836 1.438 101 H THR 17 H THR 17 0.129 -7.952 0.435 102 HA THR 17 HA THR 17 1.493 -8.458 2.998 103 HB THR 17 HB THR 17 1.347 -10.285 0.592 104 HG1 THR 17 1HG THR 17 0.049 -10.409 3.130 105 HG21 THR 17 1HG2 THR 17 2.900 -11.575 1.556 106 HG22 THR 17 2HG2 THR 17 2.127 -11.451 3.136 107 HG23 THR 17 3HG2 THR 17 3.251 -10.201 2.603 108 H SER 18 H SER 18 2.222 -8.707 -0.489 109 HA SER 18 HA SER 18 4.887 -8.657 -0.562 110 HB2 SER 18 1HB SER 18 3.438 -8.527 -2.570 111 HB3 SER 18 2HB SER 18 3.183 -6.811 -2.253 112 HG SER 18 HG SER 18 5.319 -6.420 -2.669 113 H LEU 19 H LEU 19 2.882 -5.840 0.162 114 HA LEU 19 HA LEU 19 4.755 -3.829 0.171 115 HB2 LEU 19 1HB LEU 19 2.494 -3.268 0.535 116 HB3 LEU 19 2HB LEU 19 2.381 -4.321 1.944 117 HG LEU 19 HG LEU 19 4.116 -2.682 2.980 118 HD11 LEU 19 1HD1 LEU 19 4.349 -0.592 2.088 119 HD12 LEU 19 2HD1 LEU 19 2.815 -0.668 1.220 120 HD13 LEU 19 3HD1 LEU 19 4.218 -1.545 0.609 121 HD21 LEU 19 1HD2 LEU 19 2.364 -1.472 3.985 122 HD22 LEU 19 2HD2 LEU 19 1.676 -3.045 3.580 123 HD23 LEU 19 3HD2 LEU 19 1.325 -1.642 2.569 124 H GLN 20 H GLN 20 6.274 -3.046 1.582 125 HA GLN 20 HA GLN 20 7.054 -4.876 3.747 126 HB2 GLN 20 1HB GLN 20 8.628 -4.266 1.773 127 HB3 GLN 20 2HB GLN 20 8.831 -2.737 2.617 128 HG2 GLN 20 1HG GLN 20 10.599 -3.934 3.433 129 HG3 GLN 20 2HG GLN 20 9.375 -4.256 4.660 130 HE21 GLN 20 1HE2 GLN 20 11.058 -5.556 1.884 131 HE22 GLN 20 2HE2 GLN 20 10.729 -7.218 2.220 132 H GLU 21 H GLU 21 6.054 -4.176 5.553 133 HA GLU 21 HA GLU 21 5.168 -1.746 6.301 134 HB2 GLU 21 1HB GLU 21 6.433 -3.940 7.903 135 HB3 GLU 21 2HB GLU 21 5.961 -2.444 8.698 136 HG2 GLU 21 1HG GLU 21 3.676 -2.751 8.071 137 HG3 GLU 21 2HG GLU 21 4.090 -4.134 7.059 138 H THR 22 H THR 22 8.500 -2.881 6.819 139 HA THR 22 HA THR 22 9.412 -0.106 6.717 140 HB THR 22 HB THR 22 9.429 -0.153 9.007 141 HG1 THR 22 1HG THR 22 11.841 -1.598 8.575 142 HG21 THR 22 1HG2 THR 22 10.370 -2.588 9.952 143 HG22 THR 22 2HG2 THR 22 9.300 -3.026 8.620 144 HG23 THR 22 3HG2 THR 22 8.694 -2.041 9.951 145 H GLY 23 H GLY 23 11.748 0.083 6.405 146 HA2 GLY 23 1HA GLY 23 13.853 -1.175 6.035 147 HA3 GLY 23 2HA GLY 23 12.881 -2.343 5.153 148 H LEU 24 H LEU 24 11.264 -0.400 3.777 149 HA LEU 24 HA LEU 24 12.735 -0.049 1.454 150 HB2 LEU 24 1HB LEU 24 10.398 1.621 2.367 151 HB3 LEU 24 2HB LEU 24 10.959 1.423 0.708 152 HG LEU 24 HG LEU 24 9.842 -0.812 2.397 153 HD11 LEU 24 1HD1 LEU 24 7.758 -0.485 1.475 154 HD12 LEU 24 2HD1 LEU 24 8.385 0.457 0.122 155 HD13 LEU 24 3HD1 LEU 24 8.298 1.175 1.731 156 HD21 LEU 24 1HD2 LEU 24 11.104 -1.845 0.769 157 HD22 LEU 24 2HD2 LEU 24 10.818 -0.570 -0.415 158 HD23 LEU 24 3HD2 LEU 24 9.536 -1.717 -0.027 159 H LYS 25 H LYS 25 14.391 1.227 1.005 160 HA LYS 25 HA LYS 25 15.068 3.442 2.729 161 HB2 LYS 25 1HB LYS 25 16.384 1.973 0.502 162 HB3 LYS 25 2HB LYS 25 16.901 3.629 0.789 163 HG2 LYS 25 1HG LYS 25 17.847 3.136 2.803 164 HG3 LYS 25 2HG LYS 25 16.742 1.795 3.119 165 HD2 LYS 25 1HD LYS 25 18.761 0.722 2.702 166 HD3 LYS 25 2HD LYS 25 17.943 0.645 1.140 167 HE2 LYS 25 1HE LYS 25 19.197 2.640 0.417 168 HE3 LYS 25 2HE LYS 25 20.044 2.648 1.963 169 HZ1 LYS 25 1HZ LYS 25 20.667 0.249 1.307 170 HZ2 LYS 25 2HZ LYS 25 21.499 1.535 0.590 171 HZ3 LYS 25 3HZ LYS 25 20.277 0.737 -0.265 172 H VAL 26 H VAL 26 15.924 5.486 1.515 173 HA VAL 26 HA VAL 26 13.659 6.703 0.281 174 HB VAL 26 HB VAL 26 15.410 7.844 1.756 175 HG11 VAL 26 1HG1 VAL 26 17.463 8.398 0.962 176 HG12 VAL 26 2HG1 VAL 26 17.215 6.930 0.015 177 HG13 VAL 26 3HG1 VAL 26 16.910 8.510 -0.708 178 HG21 VAL 26 1HG2 VAL 26 15.311 9.782 -0.275 179 HG22 VAL 26 2HG2 VAL 26 13.853 8.806 -0.452 180 HG23 VAL 26 3HG2 VAL 26 14.208 9.590 1.087 181 H ASN 27 H ASN 27 13.415 7.463 -1.820 182 HA ASN 27 HA ASN 27 13.514 7.323 -4.090 183 HB2 ASN 27 1HB ASN 27 16.496 7.217 -3.577 184 HB3 ASN 27 2HB ASN 27 15.727 7.617 -5.110 185 HD21 ASN 27 1HD2 ASN 27 13.895 9.375 -4.674 186 HD22 ASN 27 2HD2 ASN 27 14.480 10.773 -3.845 187 H GLN 28 H GLN 28 12.862 4.947 -3.017 188 HA GLN 28 HA GLN 28 14.330 3.029 -4.701 189 HB2 GLN 28 1HB GLN 28 13.257 2.625 -1.910 190 HB3 GLN 28 2HB GLN 28 13.734 1.296 -2.959 191 HG2 GLN 28 1HG GLN 28 15.687 3.482 -2.489 192 HG3 GLN 28 2HG GLN 28 15.383 2.332 -1.187 193 HE21 GLN 28 1HE2 GLN 28 15.764 0.091 -1.602 194 HE22 GLN 28 2HE2 GLN 28 16.921 -0.389 -2.792 195 HA PRO 29 HA PRO 29 10.401 2.223 -6.526 196 HB2 PRO 29 1HB PRO 29 10.968 -0.180 -7.656 197 HB3 PRO 29 2HB PRO 29 11.578 1.351 -8.296 198 HG2 PRO 29 1HG PRO 29 12.957 -0.659 -6.559 199 HG3 PRO 29 2HG PRO 29 13.584 0.223 -7.964 200 HD2 PRO 29 1HD PRO 29 14.138 0.957 -5.417 201 HD3 PRO 29 2HD PRO 29 13.995 2.132 -6.740 202 H ALA 30 H ALA 30 9.155 1.961 -4.619 203 HA ALA 30 HA ALA 30 9.012 -0.736 -3.486 204 HB1 ALA 30 1HB ALA 30 7.799 1.860 -2.547 205 HB2 ALA 30 2HB ALA 30 7.633 0.306 -1.728 206 HB3 ALA 30 3HB ALA 30 9.221 1.058 -1.879 207 H SER 31 H SER 31 7.568 -2.101 -4.283 208 HA SER 31 HA SER 31 4.920 -1.103 -5.037 209 HB2 SER 31 1HB SER 31 4.981 -2.613 -7.063 210 HB3 SER 31 2HB SER 31 6.035 -1.203 -7.157 211 HG SER 31 HG SER 31 6.671 -3.845 -7.191 212 H PHE 32 H PHE 32 3.251 -2.644 -4.904 213 HA PHE 32 HA PHE 32 3.882 -5.318 -3.965 214 HB2 PHE 32 1HB PHE 32 2.075 -4.795 -2.068 215 HB3 PHE 32 2HB PHE 32 3.800 -4.556 -1.811 216 HD1 PHE 32 2HD PHE 32 4.726 -2.200 -2.327 217 HD2 PHE 32 1HD PHE 32 0.601 -3.052 -1.714 218 HE1 PHE 32 2HE PHE 32 4.319 0.168 -1.797 219 HE2 PHE 32 1HE PHE 32 0.187 -0.685 -1.184 220 HZ PHE 32 HZ PHE 32 2.048 0.928 -1.224 221 H ALA 33 H ALA 33 1.662 -6.445 -3.394 222 HA ALA 33 HA ALA 33 -0.279 -5.664 -5.472 223 HB1 ALA 33 1HB ALA 33 -0.700 -7.971 -5.948 224 HB2 ALA 33 2HB ALA 33 1.041 -7.701 -6.035 225 HB3 ALA 33 3HB ALA 33 0.340 -8.487 -4.620 226 H VAL 34 H VAL 34 -2.310 -5.359 -4.816 227 HA VAL 34 HA VAL 34 -2.992 -6.077 -2.053 228 HB VAL 34 HB VAL 34 -4.339 -4.130 -3.931 229 HG11 VAL 34 1HG1 VAL 34 -4.925 -3.987 -1.065 230 HG12 VAL 34 2HG1 VAL 34 -6.007 -3.865 -2.454 231 HG13 VAL 34 3HG1 VAL 34 -5.515 -5.449 -1.854 232 HG21 VAL 34 1HG2 VAL 34 -2.410 -3.032 -3.339 233 HG22 VAL 34 2HG2 VAL 34 -3.478 -2.552 -2.019 234 HG23 VAL 34 3HG2 VAL 34 -2.299 -3.841 -1.776 235 H GLN 35 H GLN 35 -3.870 -8.060 -1.992 236 HA GLN 35 HA GLN 35 -5.439 -9.154 -4.105 237 HB2 GLN 35 1HB GLN 35 -4.066 -10.508 -2.519 238 HB3 GLN 35 2HB GLN 35 -5.217 -10.116 -1.249 239 HG2 GLN 35 1HG GLN 35 -6.943 -11.333 -2.305 240 HG3 GLN 35 2HG GLN 35 -6.016 -11.489 -3.796 241 HE21 GLN 35 1HE2 GLN 35 -6.215 -13.731 -3.765 242 HE22 GLN 35 2HE2 GLN 35 -5.317 -14.716 -2.666 243 H LEU 36 H LEU 36 -7.625 -9.370 -4.301 244 HA LEU 36 HA LEU 36 -9.237 -7.625 -2.610 245 HB2 LEU 36 1HB LEU 36 -10.286 -9.138 -4.965 246 HB3 LEU 36 2HB LEU 36 -10.814 -7.588 -4.312 247 HG LEU 36 HG LEU 36 -8.145 -7.915 -5.652 248 HD11 LEU 36 1HD1 LEU 36 -9.819 -6.660 -7.459 249 HD12 LEU 36 2HD1 LEU 36 -10.775 -8.015 -6.862 250 HD13 LEU 36 3HD1 LEU 36 -9.189 -8.303 -7.576 251 HD21 LEU 36 1HD2 LEU 36 -9.589 -5.406 -5.902 252 HD22 LEU 36 2HD2 LEU 36 -7.940 -5.714 -5.357 253 HD23 LEU 36 3HD2 LEU 36 -9.284 -5.849 -4.222 254 H ASN 37 H ASN 37 -8.878 -11.007 -3.454 255 HA ASN 37 HA ASN 37 -9.824 -12.913 -2.642 256 HB2 ASN 37 1HB ASN 37 -10.202 -11.209 -0.169 257 HB3 ASN 37 2HB ASN 37 -10.241 -12.969 -0.225 258 HD21 ASN 37 1HD2 ASN 37 -8.343 -10.287 0.302 259 HD22 ASN 37 2HD2 ASN 37 -6.789 -11.037 0.217 260 H GLY 38 H GLY 38 -11.554 -11.484 -4.222 261 HA2 GLY 38 1HA GLY 38 -13.855 -12.256 -4.568 262 HA3 GLY 38 2HA GLY 38 -14.134 -11.950 -2.859 263 H ALA 39 H ALA 39 -12.786 -9.427 -2.752 264 HA ALA 39 HA ALA 39 -14.875 -7.687 -3.329 265 HB1 ALA 39 1HB ALA 39 -13.611 -6.184 -2.270 266 HB2 ALA 39 2HB ALA 39 -12.455 -7.496 -2.035 267 HB3 ALA 39 3HB ALA 39 -12.270 -6.390 -3.397 268 H ARG 40 H ARG 40 -15.371 -6.338 -5.007 269 HA ARG 40 HA ARG 40 -13.670 -6.467 -7.402 270 HB2 ARG 40 1HB ARG 40 -16.683 -6.718 -7.352 271 HB3 ARG 40 2HB ARG 40 -15.696 -6.608 -8.803 272 HG2 ARG 40 1HG ARG 40 -15.118 -8.770 -6.843 273 HG3 ARG 40 2HG ARG 40 -16.526 -8.922 -7.896 274 HD2 ARG 40 1HD ARG 40 -13.687 -8.456 -8.804 275 HD3 ARG 40 2HD ARG 40 -14.544 -9.997 -8.858 276 HE ARG 40 HE ARG 40 -16.053 -8.094 -10.248 277 HH11 ARG 40 1HH1 ARG 40 -13.022 -9.786 -10.510 278 HH12 ARG 40 2HH1 ARG 40 -12.997 -9.741 -12.242 279 HH21 ARG 40 1HH2 ARG 40 -16.032 -8.029 -12.528 280 HH22 ARG 40 2HH2 ARG 40 -14.709 -8.740 -13.389 281 H GLY 41 H GLY 41 -12.900 -4.437 -7.487 282 HA2 GLY 41 1HA GLY 41 -14.638 -2.299 -8.188 283 HA3 GLY 41 2HA GLY 41 -14.091 -2.125 -6.527 284 H VAL 42 H VAL 42 -13.189 -0.100 -7.469 285 HA VAL 42 HA VAL 42 -10.665 -0.565 -8.905 286 HB VAL 42 HB VAL 42 -12.215 2.003 -8.541 287 HG11 VAL 42 1HG1 VAL 42 -9.623 2.031 -8.765 288 HG12 VAL 42 2HG1 VAL 42 -9.948 1.644 -10.455 289 HG13 VAL 42 3HG1 VAL 42 -10.597 3.124 -9.747 290 HG21 VAL 42 1HG2 VAL 42 -11.756 0.731 -11.188 291 HG22 VAL 42 2HG2 VAL 42 -12.990 0.039 -10.135 292 HG23 VAL 42 3HG2 VAL 42 -13.100 1.728 -10.630 293 H ILE 43 H ILE 43 -8.848 -0.498 -7.774 294 HA ILE 43 HA ILE 43 -8.853 0.594 -5.081 295 HB ILE 43 HB ILE 43 -6.712 -0.889 -6.609 296 HG12 ILE 43 1HG1 ILE 43 -8.910 -2.034 -5.782 297 HG13 ILE 43 2HG1 ILE 43 -7.361 -2.813 -5.478 298 HG21 ILE 43 1HG2 ILE 43 -6.766 0.169 -3.795 299 HG22 ILE 43 2HG2 ILE 43 -5.662 -1.099 -4.323 300 HG23 ILE 43 3HG2 ILE 43 -5.584 0.500 -5.061 301 HD11 ILE 43 1HD1 ILE 43 -7.361 -2.040 -3.209 302 HD12 ILE 43 2HD1 ILE 43 -8.821 -1.090 -3.492 303 HD13 ILE 43 3HD1 ILE 43 -8.890 -2.852 -3.544 304 H ASP 44 H ASP 44 -7.942 2.460 -4.476 305 HA ASP 44 HA ASP 44 -6.387 3.943 -6.494 306 HB2 ASP 44 1HB ASP 44 -8.030 5.155 -4.266 307 HB3 ASP 44 2HB ASP 44 -7.275 5.995 -5.617 308 H ALA 45 H ALA 45 -4.314 4.135 -6.001 309 HA ALA 45 HA ALA 45 -3.530 4.130 -3.161 310 HB1 ALA 45 1HB ALA 45 -1.276 3.406 -4.060 311 HB2 ALA 45 2HB ALA 45 -2.584 2.230 -4.190 312 HB3 ALA 45 3HB ALA 45 -2.083 3.151 -5.607 313 H ARG 46 H ARG 46 -2.545 5.872 -2.351 314 HA ARG 46 HA ARG 46 -1.112 7.706 -4.094 315 HB2 ARG 46 1HB ARG 46 -3.581 8.458 -2.541 316 HB3 ARG 46 2HB ARG 46 -2.376 9.652 -3.006 317 HG2 ARG 46 1HG ARG 46 -2.738 8.645 -5.394 318 HG3 ARG 46 2HG ARG 46 -4.272 8.109 -4.704 319 HD2 ARG 46 1HD ARG 46 -4.820 10.175 -5.589 320 HD3 ARG 46 2HD ARG 46 -4.483 10.564 -3.903 321 HE ARG 46 HE ARG 46 -2.094 10.920 -5.160 322 HH11 ARG 46 1HH1 ARG 46 -5.316 12.150 -5.637 323 HH12 ARG 46 2HH1 ARG 46 -4.782 13.662 -6.293 324 HH21 ARG 46 1HH2 ARG 46 -1.378 12.907 -6.022 325 HH22 ARG 46 2HH2 ARG 46 -2.542 14.091 -6.512 326 H VAL 47 H VAL 47 0.611 8.589 -3.106 327 HA VAL 47 HA VAL 47 0.911 8.088 -0.223 328 HB VAL 47 HB VAL 47 3.340 8.310 -0.602 329 HG11 VAL 47 1HG1 VAL 47 1.629 6.210 -1.546 330 HG12 VAL 47 2HG1 VAL 47 3.098 6.278 -2.522 331 HG13 VAL 47 3HG1 VAL 47 3.209 6.100 -0.770 332 HG21 VAL 47 1HG2 VAL 47 4.100 8.190 -3.021 333 HG22 VAL 47 2HG2 VAL 47 2.471 8.710 -3.454 334 HG23 VAL 47 3HG2 VAL 47 3.495 9.751 -2.464 335 H HIS 48 H HIS 48 1.497 9.706 1.172 336 HA HIS 48 HA HIS 48 1.407 12.436 0.073 337 HB2 HIS 48 1HB HIS 48 0.654 11.415 2.818 338 HB3 HIS 48 2HB HIS 48 0.685 13.117 2.366 339 HD1 HIS 48 1HD HIS 48 -1.230 13.987 0.890 340 HD2 HIS 48 2HD HIS 48 -1.495 9.935 1.770 341 HE1 HIS 48 1HE HIS 48 -3.547 13.298 0.195 342 HE2 HIS 48 2HE HIS 48 -3.713 10.863 0.816 343 H THR 49 H THR 49 3.166 13.660 0.230 344 HA THR 49 HA THR 49 5.554 12.639 1.425 345 HB THR 49 HB THR 49 6.460 14.958 0.818 346 HG1 THR 49 1HG THR 49 4.057 15.662 0.666 347 HG21 THR 49 1HG2 THR 49 5.305 13.075 -1.230 348 HG22 THR 49 2HG2 THR 49 6.959 13.140 -0.620 349 HG23 THR 49 3HG2 THR 49 6.350 14.428 -1.658 350 HA PRO 50 HA PRO 50 5.373 14.399 5.445 351 HB2 PRO 50 1HB PRO 50 7.995 14.941 5.897 352 HB3 PRO 50 2HB PRO 50 7.342 13.298 5.883 353 HG2 PRO 50 1HG PRO 50 8.800 14.775 3.726 354 HG3 PRO 50 2HG PRO 50 8.990 13.093 4.255 355 HD2 PRO 50 1HD PRO 50 7.579 13.775 2.047 356 HD3 PRO 50 2HD PRO 50 7.156 12.377 3.056 357 H SER 51 H SER 51 6.070 16.219 2.744 358 HA SER 51 HA SER 51 6.695 18.679 4.169 359 HB2 SER 51 1HB SER 51 7.806 18.137 2.001 360 HB3 SER 51 2HB SER 51 6.237 18.259 1.206 361 HG SER 51 HG SER 51 6.450 20.342 1.206 362 H GLY 52 H GLY 52 4.371 18.045 1.545 363 HA2 GLY 52 1HA GLY 52 1.998 18.476 2.850 364 HA3 GLY 52 2HA GLY 52 2.603 20.088 2.499 365 H ALA 53 H ALA 53 3.160 17.321 0.423 366 HA ALA 53 HA ALA 53 1.241 18.433 -1.515 367 HB1 ALA 53 1HB ALA 53 3.896 17.260 -2.304 368 HB2 ALA 53 2HB ALA 53 2.761 18.166 -3.305 369 HB3 ALA 53 3HB ALA 53 3.655 18.984 -2.023 370 H VAL 54 H VAL 54 -0.109 16.999 -2.417 371 HA VAL 54 HA VAL 54 0.015 14.244 -1.558 372 HB VAL 54 HB VAL 54 -1.977 15.665 -3.331 373 HG11 VAL 54 1HG1 VAL 54 -2.866 13.224 -2.032 374 HG12 VAL 54 2HG1 VAL 54 -3.015 13.728 -3.717 375 HG13 VAL 54 3HG1 VAL 54 -1.537 12.943 -3.158 376 HG21 VAL 54 1HG2 VAL 54 -3.269 14.971 -1.029 377 HG22 VAL 54 2HG2 VAL 54 -1.663 15.390 -0.433 378 HG23 VAL 54 3HG2 VAL 54 -2.589 16.563 -1.368 379 H GLU 55 H GLU 55 1.210 12.802 -2.601 380 HA GLU 55 HA GLU 55 1.887 13.203 -5.402 381 HB2 GLU 55 1HB GLU 55 2.935 11.531 -3.177 382 HB3 GLU 55 2HB GLU 55 3.147 10.920 -4.812 383 HG2 GLU 55 1HG GLU 55 5.107 12.113 -4.272 384 HG3 GLU 55 2HG GLU 55 4.196 13.121 -5.395 385 H GLU 56 H GLU 56 1.982 11.067 -6.726 386 HA GLU 56 HA GLU 56 -0.508 9.554 -6.299 387 HB2 GLU 56 1HB GLU 56 0.506 10.857 -8.812 388 HB3 GLU 56 2HB GLU 56 -0.594 9.487 -8.880 389 HG2 GLU 56 1HG GLU 56 -2.049 10.909 -7.269 390 HG3 GLU 56 2HG GLU 56 -1.077 12.251 -7.869 391 H CYS 57 H CYS 57 -0.491 7.393 -6.905 392 HA CYS 57 HA CYS 57 2.188 6.279 -7.378 393 HB2 CYS 57 1HB CYS 57 -0.208 4.774 -6.331 394 HB3 CYS 57 2HB CYS 57 1.483 4.294 -6.265 395 HG CYS 57 HG CYS 57 0.544 4.956 -3.686 396 H TYR 58 H TYR 58 1.871 3.907 -8.375 397 HA TYR 58 HA TYR 58 0.338 4.316 -10.855 398 HB2 TYR 58 1HB TYR 58 2.688 4.182 -11.327 399 HB3 TYR 58 2HB TYR 58 2.863 2.742 -10.329 400 HD1 TYR 58 2HD TYR 58 1.121 3.975 -13.386 401 HD2 TYR 58 1HD TYR 58 2.763 0.639 -11.317 402 HE1 TYR 58 2HE TYR 58 0.736 2.565 -15.365 403 HE2 TYR 58 1HE TYR 58 2.384 -0.779 -13.290 404 HH TYR 58 HH TYR 58 2.161 -0.153 -15.990 405 H VAL 59 H VAL 59 -1.568 3.313 -10.580 406 HA VAL 59 HA VAL 59 -1.500 0.478 -9.777 407 HB VAL 59 HB VAL 59 -2.560 1.457 -7.947 408 HG11 VAL 59 1HG1 VAL 59 -4.333 3.140 -9.693 409 HG12 VAL 59 2HG1 VAL 59 -4.007 3.306 -7.967 410 HG13 VAL 59 3HG1 VAL 59 -2.754 3.702 -9.144 411 HG21 VAL 59 1HG2 VAL 59 -4.896 0.794 -8.088 412 HG22 VAL 59 2HG2 VAL 59 -4.805 0.781 -9.849 413 HG23 VAL 59 3HG2 VAL 59 -3.871 -0.383 -8.909 414 H SER 60 H SER 60 -1.803 -0.621 -11.611 415 HA SER 60 HA SER 60 -3.175 0.348 -13.876 416 HB2 SER 60 1HB SER 60 -1.487 -1.410 -14.053 417 HB3 SER 60 2HB SER 60 -2.494 -2.500 -13.101 418 HG SER 60 HG SER 60 -2.918 -3.017 -15.181 419 H GLU 61 H GLU 61 -5.075 -0.808 -14.870 420 HA GLU 61 HA GLU 61 -7.286 -0.661 -13.063 421 HB2 GLU 61 1HB GLU 61 -8.672 -1.060 -14.992 422 HB3 GLU 61 2HB GLU 61 -7.396 0.064 -15.440 423 HG2 GLU 61 1HG GLU 61 -7.014 -2.850 -15.926 424 HG3 GLU 61 2HG GLU 61 -8.037 -1.911 -17.012 425 H LEU 62 H LEU 62 -9.044 -2.488 -13.382 426 HA LEU 62 HA LEU 62 -8.045 -4.782 -12.073 427 HB2 LEU 62 1HB LEU 62 -10.392 -3.792 -11.989 428 HB3 LEU 62 2HB LEU 62 -10.677 -4.626 -13.515 429 HG LEU 62 HG LEU 62 -10.037 -6.763 -12.274 430 HD11 LEU 62 1HD1 LEU 62 -9.001 -5.652 -10.342 431 HD12 LEU 62 2HD1 LEU 62 -10.303 -6.743 -9.869 432 HD13 LEU 62 3HD1 LEU 62 -10.576 -5.000 -9.888 433 HD21 LEU 62 1HD2 LEU 62 -12.532 -5.194 -11.670 434 HD22 LEU 62 2HD2 LEU 62 -12.319 -6.878 -11.191 435 HD23 LEU 62 3HD2 LEU 62 -12.294 -6.436 -12.899 436 H ASP 63 H ASP 63 -6.590 -5.995 -13.160 437 HA ASP 63 HA ASP 63 -7.287 -6.910 -15.864 438 HB2 ASP 63 1HB ASP 63 -5.093 -5.810 -15.625 439 HB3 ASP 63 2HB ASP 63 -4.626 -7.015 -14.428 440 H SER 64 H SER 64 -5.464 -8.305 -13.136 441 HA SER 64 HA SER 64 -6.915 -10.829 -13.592 442 HB2 SER 64 1HB SER 64 -4.063 -10.249 -12.909 443 HB3 SER 64 2HB SER 64 -4.787 -11.742 -12.312 444 HG SER 64 HG SER 64 -4.314 -12.466 -14.227 445 H ASP 65 H ASP 65 -8.498 -9.636 -12.133 446 HA ASP 65 HA ASP 65 -9.366 -9.130 -10.056 447 HB2 ASP 65 1HB ASP 65 -8.462 -11.970 -10.071 448 HB3 ASP 65 2HB ASP 65 -9.039 -11.300 -8.547 449 H LYS 66 H LYS 66 -6.743 -8.077 -10.330 450 HA LYS 66 HA LYS 66 -6.089 -7.757 -7.542 451 HB2 LYS 66 1HB LYS 66 -4.108 -9.013 -9.447 452 HB3 LYS 66 2HB LYS 66 -3.670 -8.330 -7.887 453 HG2 LYS 66 1HG LYS 66 -5.240 -9.943 -6.819 454 HG3 LYS 66 2HG LYS 66 -5.462 -10.691 -8.402 455 HD2 LYS 66 1HD LYS 66 -3.795 -12.012 -7.537 456 HD3 LYS 66 2HD LYS 66 -2.838 -10.786 -8.372 457 HE2 LYS 66 1HE LYS 66 -2.999 -9.561 -6.046 458 HE3 LYS 66 2HE LYS 66 -3.283 -11.197 -5.454 459 HZ1 LYS 66 1HZ LYS 66 -0.847 -9.991 -6.197 460 HZ2 LYS 66 2HZ LYS 66 -1.125 -11.328 -7.196 461 HZ3 LYS 66 3HZ LYS 66 -1.108 -11.517 -5.515 462 H HIS 67 H HIS 67 -3.973 -6.310 -7.440 463 HA HIS 67 HA HIS 67 -3.783 -4.473 -9.684 464 HB2 HIS 67 1HB HIS 67 -4.670 -3.549 -6.943 465 HB3 HIS 67 2HB HIS 67 -4.256 -2.492 -8.289 466 HD1 HIS 67 1HD HIS 67 -5.978 -2.265 -10.191 467 HD2 HIS 67 2HD HIS 67 -7.173 -4.803 -7.127 468 HE1 HIS 67 1HE HIS 67 -8.429 -2.676 -10.576 469 HE2 HIS 67 2HE HIS 67 -9.149 -4.145 -8.661 470 H THR 68 H THR 68 -1.824 -3.496 -9.826 471 HA THR 68 HA THR 68 0.102 -4.109 -7.684 472 HB THR 68 HB THR 68 0.717 -3.520 -10.585 473 HG1 THR 68 1HG THR 68 1.149 -5.826 -10.627 474 HG21 THR 68 1HG2 THR 68 2.846 -3.402 -9.941 475 HG22 THR 68 2HG2 THR 68 2.730 -5.010 -9.225 476 HG23 THR 68 3HG2 THR 68 2.342 -3.585 -8.261 477 H ILE 69 H ILE 69 1.120 -2.494 -6.663 478 HA ILE 69 HA ILE 69 0.682 0.241 -7.661 479 HB ILE 69 HB ILE 69 1.485 -0.339 -4.837 480 HG12 ILE 69 1HG1 ILE 69 -0.400 -1.784 -5.070 481 HG13 ILE 69 2HG1 ILE 69 -0.984 -0.322 -4.282 482 HG21 ILE 69 1HG2 ILE 69 -0.365 1.711 -4.919 483 HG22 ILE 69 2HG2 ILE 69 1.387 1.887 -4.834 484 HG23 ILE 69 3HG2 ILE 69 0.572 1.929 -6.397 485 HD11 ILE 69 1HD1 ILE 69 -2.540 -0.154 -5.837 486 HD12 ILE 69 2HD1 ILE 69 -1.280 0.074 -7.050 487 HD13 ILE 69 3HD1 ILE 69 -1.876 -1.547 -6.691 488 H ARG 70 H ARG 70 2.378 1.668 -7.809 489 HA ARG 70 HA ARG 70 5.037 0.806 -6.982 490 HB2 ARG 70 1HB ARG 70 4.491 0.081 -9.412 491 HB3 ARG 70 2HB ARG 70 4.659 1.789 -9.795 492 HG2 ARG 70 1HG ARG 70 6.938 1.786 -9.002 493 HG3 ARG 70 2HG ARG 70 6.782 0.107 -8.482 494 HD2 ARG 70 1HD ARG 70 7.934 0.129 -10.576 495 HD3 ARG 70 2HD ARG 70 6.314 -0.509 -10.851 496 HE ARG 70 HE ARG 70 5.924 1.249 -12.248 497 HH11 ARG 70 1HH1 ARG 70 8.572 2.072 -10.143 498 HH12 ARG 70 2HH1 ARG 70 8.907 3.575 -10.937 499 HH21 ARG 70 1HH2 ARG 70 6.355 3.226 -13.302 500 HH22 ARG 70 2HH2 ARG 70 7.645 4.231 -12.733 501 H PHE 71 H PHE 71 6.011 2.446 -6.008 502 HA PHE 71 HA PHE 71 5.908 5.118 -7.067 503 HB2 PHE 71 1HB PHE 71 5.033 6.123 -4.948 504 HB3 PHE 71 2HB PHE 71 3.837 5.189 -5.840 505 HD1 PHE 71 1HD PHE 71 6.305 4.838 -3.075 506 HD2 PHE 71 2HD PHE 71 2.582 3.607 -4.730 507 HE1 PHE 71 1HE PHE 71 5.856 3.499 -1.060 508 HE2 PHE 71 2HE PHE 71 2.127 2.266 -2.718 509 HZ PHE 71 HZ PHE 71 3.764 2.212 -0.879 510 H ILE 72 H ILE 72 7.539 6.443 -6.266 511 HA ILE 72 HA ILE 72 9.401 5.154 -4.380 512 HB ILE 72 HB ILE 72 10.048 6.781 -6.836 513 HG12 ILE 72 1HG1 ILE 72 11.122 4.065 -6.135 514 HG13 ILE 72 2HG1 ILE 72 9.539 4.228 -6.887 515 HG21 ILE 72 1HG2 ILE 72 12.461 6.053 -5.957 516 HG22 ILE 72 2HG2 ILE 72 11.705 7.583 -5.514 517 HG23 ILE 72 3HG2 ILE 72 11.636 6.212 -4.406 518 HD11 ILE 72 1HD1 ILE 72 11.349 3.774 -8.493 519 HD12 ILE 72 2HD1 ILE 72 10.512 5.295 -8.807 520 HD13 ILE 72 3HD1 ILE 72 12.100 5.304 -8.040 521 HA PRO 73 HA PRO 73 8.692 8.849 -2.014 522 HB2 PRO 73 1HB PRO 73 10.494 8.297 -0.059 523 HB3 PRO 73 2HB PRO 73 8.915 7.511 -0.159 524 HG2 PRO 73 1HG PRO 73 11.591 6.504 -1.044 525 HG3 PRO 73 2HG PRO 73 10.300 5.643 -0.186 526 HD2 PRO 73 1HD PRO 73 10.707 5.379 -2.850 527 HD3 PRO 73 2HD PRO 73 9.094 5.271 -2.115 528 H HIS 74 H HIS 74 9.707 10.813 -1.680 529 HA HIS 74 HA HIS 74 12.272 11.144 -3.064 530 HB2 HIS 74 1HB HIS 74 10.065 13.083 -2.377 531 HB3 HIS 74 2HB HIS 74 11.636 13.610 -2.971 532 HD1 HIS 74 1HD HIS 74 10.253 10.501 -4.436 533 HD2 HIS 74 2HD HIS 74 10.329 14.563 -5.309 534 HE1 HIS 74 1HE HIS 74 9.507 10.689 -6.831 535 HE2 HIS 74 2HE HIS 74 9.642 13.147 -7.362 536 H GLU 75 H GLU 75 10.601 12.435 -0.185 537 HA GLU 75 HA GLU 75 13.236 12.844 1.056 538 HB2 GLU 75 1HB GLU 75 12.010 14.892 0.958 539 HB3 GLU 75 2HB GLU 75 10.554 14.123 1.575 540 HG2 GLU 75 1HG GLU 75 11.396 15.336 3.377 541 HG3 GLU 75 2HG GLU 75 11.881 13.671 3.695 542 H ASN 76 H ASN 76 13.842 11.506 2.615 543 HA ASN 76 HA ASN 76 12.612 9.258 3.459 544 HB2 ASN 76 1HB ASN 76 14.589 11.069 4.762 545 HB3 ASN 76 2HB ASN 76 13.881 9.787 5.741 546 HD21 ASN 76 1HD2 ASN 76 13.691 7.683 4.177 547 HD22 ASN 76 2HD2 ASN 76 15.227 7.211 3.541 548 H GLY 77 H GLY 77 11.588 8.658 5.525 549 HA2 GLY 77 1HA GLY 77 10.417 9.539 7.528 550 HA3 GLY 77 2HA GLY 77 9.783 10.797 6.477 551 H VAL 78 H VAL 78 8.272 8.971 8.108 552 HA VAL 78 HA VAL 78 7.190 6.848 6.599 553 HB VAL 78 HB VAL 78 5.853 8.412 8.812 554 HG11 VAL 78 1HG1 VAL 78 4.180 6.916 8.802 555 HG12 VAL 78 2HG1 VAL 78 4.705 6.587 7.150 556 HG13 VAL 78 3HG1 VAL 78 5.260 5.562 8.474 557 HG21 VAL 78 1HG2 VAL 78 8.029 7.530 9.498 558 HG22 VAL 78 2HG2 VAL 78 6.711 6.685 10.309 559 HG23 VAL 78 3HG2 VAL 78 7.550 5.921 8.960 560 H HIS 79 H HIS 79 5.616 6.755 5.105 561 HA HIS 79 HA HIS 79 4.318 9.289 4.353 562 HB2 HIS 79 1HB HIS 79 5.029 6.863 2.701 563 HB3 HIS 79 2HB HIS 79 3.998 8.163 2.111 564 HD1 HIS 79 1HD HIS 79 7.122 8.720 4.149 565 HD2 HIS 79 2HD HIS 79 5.757 9.175 0.251 566 HE1 HIS 79 1HE HIS 79 8.916 10.017 2.955 567 HE2 HIS 79 2HE HIS 79 8.029 10.354 0.622 568 H SER 80 H SER 80 2.126 9.099 3.436 569 HA SER 80 HA SER 80 0.589 7.056 4.891 570 HB2 SER 80 1HB SER 80 0.120 9.421 5.488 571 HB3 SER 80 2HB SER 80 -0.362 9.724 3.819 572 HG SER 80 HG SER 80 -2.098 8.388 4.078 573 H ILE 81 H ILE 81 0.002 5.410 3.648 574 HA ILE 81 HA ILE 81 -0.446 5.821 0.793 575 HB ILE 81 HB ILE 81 -0.632 3.167 2.182 576 HG12 ILE 81 1HG1 ILE 81 1.491 4.324 2.854 577 HG13 ILE 81 2HG1 ILE 81 1.738 2.836 1.948 578 HG21 ILE 81 1HG2 ILE 81 -1.075 2.581 0.077 579 HG22 ILE 81 2HG2 ILE 81 -0.565 4.147 -0.550 580 HG23 ILE 81 3HG2 ILE 81 0.630 2.885 -0.254 581 HD11 ILE 81 1HD1 ILE 81 1.615 5.063 0.153 582 HD12 ILE 81 2HD1 ILE 81 2.808 5.359 1.419 583 HD13 ILE 81 3HD1 ILE 81 2.921 3.908 0.423 584 H ASP 82 H ASP 82 -2.435 6.604 0.403 585 HA ASP 82 HA ASP 82 -4.729 5.712 1.923 586 HB2 ASP 82 1HB ASP 82 -4.309 7.719 -0.274 587 HB3 ASP 82 2HB ASP 82 -5.933 7.225 0.194 588 H VAL 83 H VAL 83 -5.777 3.905 1.459 589 HA VAL 83 HA VAL 83 -5.854 3.000 -1.346 590 HB VAL 83 HB VAL 83 -5.982 1.263 1.122 591 HG11 VAL 83 1HG1 VAL 83 -6.753 0.798 -1.572 592 HG12 VAL 83 2HG1 VAL 83 -5.313 -0.165 -1.236 593 HG13 VAL 83 3HG1 VAL 83 -6.744 -0.333 -0.218 594 HG21 VAL 83 1HG2 VAL 83 -3.731 1.977 -0.724 595 HG22 VAL 83 2HG2 VAL 83 -3.761 1.971 1.039 596 HG23 VAL 83 3HG2 VAL 83 -3.740 0.447 0.153 597 H LYS 84 H LYS 84 -7.797 3.536 -2.122 598 HA LYS 84 HA LYS 84 -10.160 3.127 -0.419 599 HB2 LYS 84 1HB LYS 84 -9.630 4.918 -2.777 600 HB3 LYS 84 2HB LYS 84 -11.273 4.536 -2.277 601 HG2 LYS 84 1HG LYS 84 -10.626 5.377 0.020 602 HG3 LYS 84 2HG LYS 84 -9.159 6.007 -0.734 603 HD2 LYS 84 1HD LYS 84 -10.498 7.847 -0.922 604 HD3 LYS 84 2HD LYS 84 -10.912 7.033 -2.433 605 HE2 LYS 84 1HE LYS 84 -12.868 6.032 -1.350 606 HE3 LYS 84 2HE LYS 84 -12.453 6.852 0.155 607 HZ1 LYS 84 1HZ LYS 84 -13.005 8.905 -0.713 608 HZ2 LYS 84 2HZ LYS 84 -14.190 7.907 -1.390 609 HZ3 LYS 84 3HZ LYS 84 -12.866 8.398 -2.321 610 H PHE 85 H PHE 85 -11.985 2.047 -1.240 611 HA PHE 85 HA PHE 85 -11.592 0.538 -3.727 612 HB2 PHE 85 1HB PHE 85 -10.998 -0.834 -1.675 613 HB3 PHE 85 2HB PHE 85 -12.695 -0.728 -1.219 614 HD1 PHE 85 1HD PHE 85 -10.622 -1.633 -4.187 615 HD2 PHE 85 2HD PHE 85 -14.063 -2.463 -1.824 616 HE1 PHE 85 1HE PHE 85 -11.117 -3.584 -5.601 617 HE2 PHE 85 2HE PHE 85 -14.563 -4.417 -3.233 618 HZ PHE 85 HZ PHE 85 -13.090 -4.980 -5.124 619 H ASN 86 H ASN 86 -13.183 1.199 -5.011 620 HA ASN 86 HA ASN 86 -15.226 1.893 -5.751 621 HB2 ASN 86 1HB ASN 86 -15.513 -0.601 -4.907 622 HB3 ASN 86 2HB ASN 86 -16.560 0.162 -3.714 623 HD21 ASN 86 1HD2 ASN 86 -16.528 -1.311 -6.620 624 HD22 ASN 86 2HD2 ASN 86 -17.962 -0.641 -7.312 625 H GLY 87 H GLY 87 -14.090 3.534 -3.729 626 HA2 GLY 87 1HA GLY 87 -14.801 5.455 -2.648 627 HA3 GLY 87 2HA GLY 87 -16.463 4.951 -2.919 628 H ALA 88 H ALA 88 -13.767 3.403 -1.186 629 HA ALA 88 HA ALA 88 -14.993 3.867 1.376 630 HB1 ALA 88 1HB ALA 88 -15.371 1.533 1.946 631 HB2 ALA 88 2HB ALA 88 -16.348 1.999 0.554 632 HB3 ALA 88 3HB ALA 88 -14.884 1.043 0.323 633 H HIS 89 H HIS 89 -13.450 3.990 2.879 634 HA HIS 89 HA HIS 89 -10.725 3.441 2.178 635 HB2 HIS 89 1HB HIS 89 -12.142 4.677 4.482 636 HB3 HIS 89 2HB HIS 89 -10.529 4.036 4.779 637 HD1 HIS 89 1HD HIS 89 -8.661 5.581 4.276 638 HD2 HIS 89 2HD HIS 89 -12.129 6.624 2.240 639 HE1 HIS 89 1HE HIS 89 -8.128 7.741 3.103 640 HE2 HIS 89 2HE HIS 89 -10.268 8.396 1.947 641 H ILE 90 H ILE 90 -9.583 1.658 2.556 642 HA ILE 90 HA ILE 90 -10.802 -0.658 3.663 643 HB ILE 90 HB ILE 90 -8.711 -1.782 3.278 644 HG12 ILE 90 1HG1 ILE 90 -7.376 0.778 2.471 645 HG13 ILE 90 2HG1 ILE 90 -7.407 0.309 4.168 646 HG21 ILE 90 1HG2 ILE 90 -10.096 -1.287 1.322 647 HG22 ILE 90 2HG2 ILE 90 -9.220 0.224 1.085 648 HG23 ILE 90 3HG2 ILE 90 -8.382 -1.318 0.908 649 HD11 ILE 90 1HD1 ILE 90 -6.585 -1.963 2.757 650 HD12 ILE 90 2HD1 ILE 90 -5.702 -0.602 2.063 651 HD13 ILE 90 3HD1 ILE 90 -5.612 -0.920 3.795 652 HA PRO 91 HA PRO 91 -9.806 -0.325 7.929 653 HB2 PRO 91 1HB PRO 91 -9.513 -2.945 8.576 654 HB3 PRO 91 2HB PRO 91 -11.084 -2.209 8.240 655 HG2 PRO 91 1HG PRO 91 -9.337 -3.849 6.445 656 HG3 PRO 91 2HG PRO 91 -11.095 -3.924 6.669 657 HD2 PRO 91 1HD PRO 91 -9.946 -2.663 4.566 658 HD3 PRO 91 2HD PRO 91 -11.474 -2.118 5.288 659 H GLY 92 H GLY 92 -7.836 0.643 8.194 660 HA2 GLY 92 1HA GLY 92 -5.711 -0.078 9.356 661 HA3 GLY 92 2HA GLY 92 -5.455 -1.086 7.940 662 H SER 93 H SER 93 -6.741 1.261 6.383 663 HA SER 93 HA SER 93 -4.206 2.558 5.821 664 HB2 SER 93 1HB SER 93 -5.184 2.154 3.793 665 HB3 SER 93 2HB SER 93 -6.821 2.284 4.437 666 HG SER 93 HG SER 93 -6.837 4.338 3.967 667 HA PRO 94 HA PRO 94 -3.795 4.482 4.493 668 HB2 PRO 94 1HB PRO 94 -1.898 6.255 5.289 669 HB3 PRO 94 2HB PRO 94 -3.373 6.740 4.444 670 HG2 PRO 94 1HG PRO 94 -2.753 6.821 7.372 671 HG3 PRO 94 2HG PRO 94 -3.560 8.037 6.365 672 HD2 PRO 94 1HD PRO 94 -4.925 6.335 7.970 673 HD3 PRO 94 2HD PRO 94 -5.583 6.934 6.433 674 H PHE 95 H PHE 95 -1.939 3.279 4.275 675 HA PHE 95 HA PHE 95 -1.071 1.833 6.614 676 HB2 PHE 95 1HB PHE 95 -0.441 1.640 3.678 677 HB3 PHE 95 2HB PHE 95 0.459 0.708 4.869 678 HD1 PHE 95 1HD PHE 95 -1.320 -0.372 6.699 679 HD2 PHE 95 2HD PHE 95 -2.019 0.413 2.575 680 HE1 PHE 95 1HE PHE 95 -3.070 -2.101 6.670 681 HE2 PHE 95 2HE PHE 95 -3.771 -1.314 2.539 682 HZ PHE 95 HZ PHE 95 -4.299 -2.574 4.589 683 H LYS 96 H LYS 96 0.217 2.973 7.946 684 HA LYS 96 HA LYS 96 2.115 4.896 7.095 685 HB2 LYS 96 1HB LYS 96 1.805 3.418 9.712 686 HB3 LYS 96 2HB LYS 96 2.953 4.726 9.458 687 HG2 LYS 96 1HG LYS 96 0.009 5.069 8.991 688 HG3 LYS 96 2HG LYS 96 0.755 5.319 10.571 689 HD2 LYS 96 1HD LYS 96 2.302 6.960 9.490 690 HD3 LYS 96 2HD LYS 96 1.354 6.795 8.011 691 HE2 LYS 96 1HE LYS 96 -0.645 7.540 9.237 692 HE3 LYS 96 2HE LYS 96 0.335 7.743 10.688 693 HZ1 LYS 96 1HZ LYS 96 0.811 9.184 8.137 694 HZ2 LYS 96 2HZ LYS 96 1.597 9.446 9.611 695 HZ3 LYS 96 3HZ LYS 96 -0.043 9.826 9.448 696 H ILE 97 H ILE 97 3.720 4.264 5.774 697 HA ILE 97 HA ILE 97 5.220 1.830 6.442 698 HB ILE 97 HB ILE 97 6.200 2.037 4.177 699 HG12 ILE 97 1HG1 ILE 97 4.154 4.216 3.731 700 HG13 ILE 97 2HG1 ILE 97 5.854 4.539 4.055 701 HG21 ILE 97 1HG2 ILE 97 4.359 0.573 4.374 702 HG22 ILE 97 2HG2 ILE 97 3.209 1.907 4.446 703 HG23 ILE 97 3HG2 ILE 97 4.048 1.547 2.937 704 HD11 ILE 97 1HD1 ILE 97 5.406 2.645 1.881 705 HD12 ILE 97 2HD1 ILE 97 4.746 4.254 1.589 706 HD13 ILE 97 3HD1 ILE 97 6.458 4.057 1.965 707 H ARG 98 H ARG 98 7.322 1.885 7.023 708 HA ARG 98 HA ARG 98 8.474 4.484 7.615 709 HB2 ARG 98 1HB ARG 98 8.472 2.416 9.166 710 HB3 ARG 98 2HB ARG 98 9.789 1.836 8.156 711 HG2 ARG 98 1HG ARG 98 11.235 3.490 8.857 712 HG3 ARG 98 2HG ARG 98 9.927 4.565 9.355 713 HD2 ARG 98 1HD ARG 98 9.642 3.512 11.364 714 HD3 ARG 98 2HD ARG 98 10.196 1.956 10.749 715 HE ARG 98 HE ARG 98 11.763 3.859 12.097 716 HH11 ARG 98 1HH1 ARG 98 11.900 1.727 9.349 717 HH12 ARG 98 2HH1 ARG 98 13.621 1.537 9.417 718 HH21 ARG 98 1HH2 ARG 98 14.029 3.618 12.198 719 HH22 ARG 98 2HH2 ARG 98 14.830 2.612 11.039 720 H VAL 99 H VAL 99 9.616 5.494 6.108 721 HA VAL 99 HA VAL 99 11.150 3.896 4.172 722 HB VAL 99 HB VAL 99 10.148 6.739 4.012 723 HG11 VAL 99 1HG1 VAL 99 12.391 6.525 3.016 724 HG12 VAL 99 2HG1 VAL 99 11.791 5.225 1.985 725 HG13 VAL 99 3HG1 VAL 99 11.149 6.859 1.810 726 HG21 VAL 99 1HG2 VAL 99 9.401 4.169 2.654 727 HG22 VAL 99 2HG2 VAL 99 8.365 5.301 3.524 728 HG23 VAL 99 3HG2 VAL 99 9.016 5.737 1.944 729 H GLY 100 H GLY 100 13.210 3.655 4.750 730 HA2 GLY 100 1HA GLY 100 15.328 5.014 4.716 731 HA3 GLY 100 2HA GLY 100 14.579 5.958 5.995 732 H GLU 101 H GLU 101 15.690 2.694 5.176 733 HA GLU 101 HA GLU 101 15.522 1.573 7.727 734 HB2 GLU 101 1HB GLU 101 16.143 0.554 5.364 735 HB3 GLU 101 2HB GLU 101 17.785 0.819 5.934 736 HG2 GLU 101 1HG GLU 101 17.231 -0.507 7.961 737 HG3 GLU 101 2HG GLU 101 15.665 -0.870 7.237 738 H GLN 102 H GLN 102 16.975 1.359 9.418 739 HA GLN 102 HA GLN 102 19.049 3.430 9.510 740 HB2 GLN 102 1HB GLN 102 18.883 3.353 11.884 741 HB3 GLN 102 2HB GLN 102 17.239 3.367 11.261 742 HG2 GLN 102 1HG GLN 102 17.046 0.983 11.624 743 HG3 GLN 102 2HG GLN 102 18.721 0.911 12.169 744 HE21 GLN 102 1HE2 GLN 102 17.986 0.020 14.139 745 HE22 GLN 102 2HE2 GLN 102 17.291 1.021 15.364 746 H SER 103 H SER 103 21.090 2.932 10.570 747 HA SER 103 HA SER 103 21.838 0.113 10.652 748 HB2 SER 103 1HB SER 103 22.939 2.132 8.727 749 HB3 SER 103 2HB SER 103 23.980 0.841 9.327 750 HG SER 103 HG SER 103 22.757 -0.637 8.330 751 H GLN 104 H GLN 104 23.594 -0.335 11.972 752 HA GLN 104 HA GLN 104 24.546 1.940 13.582 753 HB2 GLN 104 1HB GLN 104 24.704 0.502 15.465 754 HB3 GLN 104 2HB GLN 104 23.135 0.189 14.735 755 HG2 GLN 104 1HG GLN 104 24.018 -1.909 15.308 756 HG3 GLN 104 2HG GLN 104 24.201 -1.766 13.561 757 HE21 GLN 104 1HE2 GLN 104 25.961 -1.172 16.577 758 HE22 GLN 104 2HE2 GLN 104 27.509 -1.640 15.969 759 H ALA 105 H ALA 105 26.731 1.691 14.508 760 HA ALA 105 HA ALA 105 28.529 -0.109 13.103 761 HB1 ALA 105 1HB ALA 105 29.523 1.364 11.756 762 HB2 ALA 105 2HB ALA 105 28.130 2.405 12.052 763 HB3 ALA 105 3HB ALA 105 29.594 2.595 13.017 764 H GLY 106 H GLY 106 30.119 -0.783 14.408 765 HA2 GLY 106 1HA GLY 106 31.893 -0.210 15.990 766 HA3 GLY 106 2HA GLY 106 30.746 0.863 16.780 767 H SER 107 H SER 107 32.038 -0.837 18.371 768 HA SER 107 HA SER 107 30.598 -3.314 18.689 769 HB2 SER 107 1HB SER 107 32.051 -3.683 20.612 770 HB3 SER 107 2HB SER 107 33.009 -3.125 19.240 771 HG SER 107 HG SER 107 33.099 -1.090 20.163 772 H GLY 108 H GLY 108 28.703 -3.495 19.670 773 HA2 GLY 108 1HA GLY 108 28.151 -1.910 22.058 774 HA3 GLY 108 2HA GLY 108 27.061 -1.685 20.698 775 HA PRO 109 HA PRO 109 25.291 -5.053 23.301 776 HB2 PRO 109 1HB PRO 109 22.726 -4.202 23.043 777 HB3 PRO 109 2HB PRO 109 23.827 -3.575 24.275 778 HG2 PRO 109 1HG PRO 109 23.064 -2.388 21.635 779 HG3 PRO 109 2HG PRO 109 23.237 -1.593 23.210 780 HD2 PRO 109 1HD PRO 109 25.154 -1.478 21.301 781 HD3 PRO 109 2HD PRO 109 25.532 -1.470 23.036 782 H SER 110 H SER 110 25.083 -4.035 20.076 783 HA SER 110 HA SER 110 23.283 -6.193 19.281 784 HB2 SER 110 1HB SER 110 24.519 -3.881 17.787 785 HB3 SER 110 2HB SER 110 23.654 -5.178 16.963 786 HG SER 110 HG SER 110 22.403 -3.246 17.592 787 H SER 111 H SER 111 23.992 -8.096 18.591 788 HA SER 111 HA SER 111 26.637 -8.906 18.676 789 HB2 SER 111 1HB SER 111 24.289 -10.051 17.157 790 HB3 SER 111 2HB SER 111 25.855 -10.856 17.255 791 HG SER 111 HG SER 111 25.598 -10.790 19.565 792 H GLY 112 H GLY 112 24.710 -8.098 15.785 793 HA2 GLY 112 1HA GLY 112 26.329 -6.569 14.347 794 HA3 GLY 112 2HA GLY 112 27.133 -8.120 14.158 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -25.578 -13.365 8.349 2 HA2 GLY 1 1HA GLY 1 -25.977 -13.752 5.492 3 HA3 GLY 1 2HA GLY 1 -24.701 -12.810 6.249 4 H SER 2 H SER 2 -25.791 -16.200 6.061 5 HA SER 2 HA SER 2 -23.233 -17.289 6.583 6 HB2 SER 2 1HB SER 2 -25.116 -18.687 6.989 7 HB3 SER 2 2HB SER 2 -25.735 -18.452 5.354 8 HG SER 2 HG SER 2 -24.647 -20.486 5.696 9 H SER 3 H SER 3 -21.629 -16.563 5.270 10 HA SER 3 HA SER 3 -20.372 -16.235 3.396 11 HB2 SER 3 1HB SER 3 -21.859 -18.725 2.523 12 HB3 SER 3 2HB SER 3 -20.391 -18.102 1.770 13 HG SER 3 HG SER 3 -20.680 -19.020 4.441 14 H GLY 4 H GLY 4 -22.623 -14.628 3.450 15 HA2 GLY 4 1HA GLY 4 -23.426 -14.587 0.605 16 HA3 GLY 4 2HA GLY 4 -24.482 -14.069 1.910 17 H SER 5 H SER 5 -24.211 -12.316 -0.043 18 HA SER 5 HA SER 5 -22.209 -10.373 0.904 19 HB2 SER 5 1HB SER 5 -22.221 -11.275 -1.559 20 HB3 SER 5 2HB SER 5 -23.550 -10.134 -1.767 21 HG SER 5 HG SER 5 -20.851 -9.638 -1.168 22 H SER 6 H SER 6 -22.987 -8.709 2.000 23 HA SER 6 HA SER 6 -25.836 -8.070 1.793 24 HB2 SER 6 1HB SER 6 -23.726 -7.547 3.866 25 HB3 SER 6 2HB SER 6 -25.200 -6.580 3.838 26 HG SER 6 HG SER 6 -25.110 -9.415 3.959 27 H GLY 7 H GLY 7 -24.357 -7.289 -0.405 28 HA2 GLY 7 1HA GLY 7 -24.974 -5.062 -1.400 29 HA3 GLY 7 2HA GLY 7 -24.116 -4.368 -0.032 30 H SER 8 H SER 8 -23.006 -3.301 -1.924 31 HA SER 8 HA SER 8 -20.991 -5.014 -3.179 32 HB2 SER 8 1HB SER 8 -21.752 -2.132 -3.714 33 HB3 SER 8 2HB SER 8 -20.519 -3.031 -4.599 34 HG SER 8 HG SER 8 -22.531 -3.066 -5.679 35 H ASP 9 H ASP 9 -20.749 -4.511 -0.401 36 HA ASP 9 HA ASP 9 -18.349 -2.800 -0.341 37 HB2 ASP 9 1HB ASP 9 -20.307 -2.007 1.036 38 HB3 ASP 9 2HB ASP 9 -20.123 -3.460 2.014 39 H ASP 10 H ASP 10 -16.770 -4.288 -0.698 40 HA ASP 10 HA ASP 10 -16.509 -6.411 1.323 41 HB2 ASP 10 1HB ASP 10 -16.330 -6.614 -1.651 42 HB3 ASP 10 2HB ASP 10 -15.264 -7.623 -0.678 43 H ALA 11 H ALA 11 -15.375 -3.734 1.229 44 HA ALA 11 HA ALA 11 -12.635 -3.933 0.425 45 HB1 ALA 11 1HB ALA 11 -12.459 -1.779 1.808 46 HB2 ALA 11 2HB ALA 11 -13.484 -1.761 0.371 47 HB3 ALA 11 3HB ALA 11 -14.211 -1.905 1.971 48 H ARG 12 H ARG 12 -14.364 -5.070 3.086 49 HA ARG 12 HA ARG 12 -12.305 -4.817 5.065 50 HB2 ARG 12 1HB ARG 12 -13.747 -6.493 6.312 51 HB3 ARG 12 2HB ARG 12 -14.515 -4.966 5.898 52 HG2 ARG 12 1HG ARG 12 -15.832 -5.934 4.243 53 HG3 ARG 12 2HG ARG 12 -14.803 -7.363 4.129 54 HD2 ARG 12 1HD ARG 12 -16.536 -8.234 5.331 55 HD3 ARG 12 2HD ARG 12 -15.525 -7.650 6.652 56 HE ARG 12 HE ARG 12 -18.086 -6.601 5.818 57 HH11 ARG 12 1HH1 ARG 12 -15.154 -6.032 7.607 58 HH12 ARG 12 2HH1 ARG 12 -15.856 -4.817 8.623 59 HH21 ARG 12 1HH2 ARG 12 -19.021 -5.003 7.150 60 HH22 ARG 12 2HH2 ARG 12 -18.056 -4.233 8.363 61 H ARG 13 H ARG 13 -12.702 -6.789 2.382 62 HA ARG 13 HA ARG 13 -11.265 -9.056 3.532 63 HB2 ARG 13 1HB ARG 13 -12.534 -8.608 0.830 64 HB3 ARG 13 2HB ARG 13 -11.603 -10.044 1.234 65 HG2 ARG 13 1HG ARG 13 -13.219 -10.875 2.618 66 HG3 ARG 13 2HG ARG 13 -13.857 -9.278 3.012 67 HD2 ARG 13 1HD ARG 13 -15.090 -9.146 1.054 68 HD3 ARG 13 2HD ARG 13 -14.094 -10.344 0.229 69 HE ARG 13 HE ARG 13 -16.420 -10.845 1.780 70 HH11 ARG 13 1HH1 ARG 13 -13.305 -12.159 0.952 71 HH12 ARG 13 2HH1 ARG 13 -13.782 -13.803 1.221 72 HH21 ARG 13 1HH2 ARG 13 -17.060 -13.005 2.137 73 HH22 ARG 13 2HH2 ARG 13 -15.918 -14.283 1.894 74 H LEU 14 H LEU 14 -10.778 -6.312 1.462 75 HA LEU 14 HA LEU 14 -8.528 -7.044 0.029 76 HB2 LEU 14 1HB LEU 14 -9.005 -4.340 1.268 77 HB3 LEU 14 2HB LEU 14 -8.017 -4.699 -0.146 78 HG LEU 14 HG LEU 14 -11.000 -5.114 -0.055 79 HD11 LEU 14 1HD1 LEU 14 -9.375 -2.715 -0.823 80 HD12 LEU 14 2HD1 LEU 14 -10.800 -2.805 0.211 81 HD13 LEU 14 3HD1 LEU 14 -10.960 -3.021 -1.532 82 HD21 LEU 14 1HD2 LEU 14 -10.498 -6.275 -1.903 83 HD22 LEU 14 2HD2 LEU 14 -8.873 -5.596 -2.006 84 HD23 LEU 14 3HD2 LEU 14 -10.249 -4.694 -2.645 85 H THR 15 H THR 15 -6.359 -7.118 0.417 86 HA THR 15 HA THR 15 -5.302 -6.285 2.992 87 HB THR 15 HB THR 15 -5.945 -8.491 3.611 88 HG1 THR 15 1HG THR 15 -3.245 -8.882 2.868 89 HG21 THR 15 1HG2 THR 15 -6.320 -9.384 1.353 90 HG22 THR 15 2HG2 THR 15 -5.342 -10.480 2.329 91 HG23 THR 15 3HG2 THR 15 -4.577 -9.470 1.103 92 H VAL 16 H VAL 16 -2.912 -6.538 3.086 93 HA VAL 16 HA VAL 16 -1.613 -6.760 0.475 94 HB VAL 16 HB VAL 16 -1.019 -4.401 2.249 95 HG11 VAL 16 1HG1 VAL 16 -0.564 -4.514 -0.694 96 HG12 VAL 16 2HG1 VAL 16 0.330 -3.644 0.554 97 HG13 VAL 16 3HG1 VAL 16 0.533 -5.387 0.375 98 HG21 VAL 16 1HG2 VAL 16 -3.199 -3.883 1.689 99 HG22 VAL 16 2HG2 VAL 16 -2.303 -3.152 0.357 100 HG23 VAL 16 3HG2 VAL 16 -3.106 -4.706 0.131 101 H THR 17 H THR 17 0.252 -7.832 0.601 102 HA THR 17 HA THR 17 1.533 -8.089 3.245 103 HB THR 17 HB THR 17 2.338 -10.329 2.485 104 HG1 THR 17 1HG THR 17 0.535 -9.809 0.339 105 HG21 THR 17 1HG2 THR 17 -0.318 -9.575 3.286 106 HG22 THR 17 2HG2 THR 17 0.619 -10.999 3.735 107 HG23 THR 17 3HG2 THR 17 -0.377 -11.021 2.280 108 H SER 18 H SER 18 2.188 -8.384 -0.249 109 HA SER 18 HA SER 18 4.881 -8.423 -0.346 110 HB2 SER 18 1HB SER 18 3.246 -8.268 -2.296 111 HB3 SER 18 2HB SER 18 3.320 -6.518 -2.092 112 HG SER 18 HG SER 18 4.869 -7.715 -3.603 113 H LEU 19 H LEU 19 2.907 -5.707 0.609 114 HA LEU 19 HA LEU 19 4.747 -3.631 0.428 115 HB2 LEU 19 1HB LEU 19 2.440 -3.201 0.918 116 HB3 LEU 19 2HB LEU 19 2.542 -4.115 2.421 117 HG LEU 19 HG LEU 19 4.116 -2.372 3.281 118 HD11 LEU 19 1HD1 LEU 19 5.002 -0.947 1.829 119 HD12 LEU 19 2HD1 LEU 19 3.414 -0.195 1.680 120 HD13 LEU 19 3HD1 LEU 19 3.895 -1.467 0.558 121 HD21 LEU 19 1HD2 LEU 19 1.408 -2.433 3.293 122 HD22 LEU 19 2HD2 LEU 19 1.704 -0.840 2.597 123 HD23 LEU 19 3HD2 LEU 19 2.382 -1.254 4.172 124 H GLN 20 H GLN 20 6.486 -3.019 1.570 125 HA GLN 20 HA GLN 20 7.347 -4.766 3.755 126 HB2 GLN 20 1HB GLN 20 8.763 -4.073 1.646 127 HB3 GLN 20 2HB GLN 20 9.082 -2.626 2.594 128 HG2 GLN 20 1HG GLN 20 10.833 -4.314 2.850 129 HG3 GLN 20 2HG GLN 20 10.025 -3.952 4.375 130 HE21 GLN 20 1HE2 GLN 20 9.944 -6.219 1.659 131 HE22 GLN 20 2HE2 GLN 20 9.496 -7.599 2.597 132 H GLU 21 H GLU 21 6.006 -3.898 5.387 133 HA GLU 21 HA GLU 21 5.548 -1.325 6.113 134 HB2 GLU 21 1HB GLU 21 6.062 -3.750 7.819 135 HB3 GLU 21 2HB GLU 21 5.649 -2.198 8.534 136 HG2 GLU 21 1HG GLU 21 3.724 -3.731 8.240 137 HG3 GLU 21 2HG GLU 21 3.533 -2.170 7.443 138 H THR 22 H THR 22 8.483 -3.182 6.753 139 HA THR 22 HA THR 22 9.907 -0.675 7.238 140 HB THR 22 HB THR 22 10.969 -1.398 9.236 141 HG1 THR 22 1HG THR 22 10.294 -3.557 10.095 142 HG21 THR 22 1HG2 THR 22 8.920 -0.478 9.861 143 HG22 THR 22 2HG2 THR 22 8.931 -2.029 10.701 144 HG23 THR 22 3HG2 THR 22 8.003 -1.838 9.214 145 H GLY 23 H GLY 23 11.523 -0.641 5.825 146 HA2 GLY 23 1HA GLY 23 13.747 -2.004 5.613 147 HA3 GLY 23 2HA GLY 23 12.657 -3.176 4.887 148 H LEU 24 H LEU 24 11.269 -0.410 4.043 149 HA LEU 24 HA LEU 24 12.194 -0.527 1.357 150 HB2 LEU 24 1HB LEU 24 10.473 1.501 2.773 151 HB3 LEU 24 2HB LEU 24 10.754 1.470 1.033 152 HG LEU 24 HG LEU 24 9.213 -0.498 2.707 153 HD11 LEU 24 1HD1 LEU 24 7.356 0.214 1.564 154 HD12 LEU 24 2HD1 LEU 24 8.287 0.768 0.172 155 HD13 LEU 24 3HD1 LEU 24 8.281 1.713 1.662 156 HD21 LEU 24 1HD2 LEU 24 8.938 -1.830 0.664 157 HD22 LEU 24 2HD2 LEU 24 10.618 -1.783 1.199 158 HD23 LEU 24 3HD2 LEU 24 10.098 -0.789 -0.162 159 H LYS 25 H LYS 25 13.522 0.828 0.222 160 HA LYS 25 HA LYS 25 15.252 2.554 1.835 161 HB2 LYS 25 1HB LYS 25 15.562 1.065 -0.724 162 HB3 LYS 25 2HB LYS 25 16.491 2.545 -0.528 163 HG2 LYS 25 1HG LYS 25 17.540 1.674 1.461 164 HG3 LYS 25 2HG LYS 25 16.534 0.225 1.392 165 HD2 LYS 25 1HD LYS 25 17.565 -0.435 -0.695 166 HD3 LYS 25 2HD LYS 25 18.497 1.063 -0.742 167 HE2 LYS 25 1HE LYS 25 18.717 -0.848 1.561 168 HE3 LYS 25 2HE LYS 25 19.660 -1.075 0.089 169 HZ1 LYS 25 1HZ LYS 25 19.942 1.585 0.830 170 HZ2 LYS 25 2HZ LYS 25 21.115 0.368 0.889 171 HZ3 LYS 25 3HZ LYS 25 20.149 0.677 2.242 172 H VAL 26 H VAL 26 15.888 4.649 1.026 173 HA VAL 26 HA VAL 26 13.650 6.138 0.028 174 HB VAL 26 HB VAL 26 15.093 7.129 1.713 175 HG11 VAL 26 1HG1 VAL 26 17.389 7.973 0.585 176 HG12 VAL 26 2HG1 VAL 26 17.251 6.492 1.535 177 HG13 VAL 26 3HG1 VAL 26 17.196 6.419 -0.227 178 HG21 VAL 26 1HG2 VAL 26 15.850 9.178 0.101 179 HG22 VAL 26 2HG2 VAL 26 14.640 8.380 -0.905 180 HG23 VAL 26 3HG2 VAL 26 14.212 8.940 0.712 181 H ASN 27 H ASN 27 13.365 7.076 -1.944 182 HA ASN 27 HA ASN 27 13.588 7.450 -4.176 183 HB2 ASN 27 1HB ASN 27 16.409 7.448 -3.224 184 HB3 ASN 27 2HB ASN 27 16.140 7.335 -4.961 185 HD21 ASN 27 1HD2 ASN 27 16.958 9.451 -2.776 186 HD22 ASN 27 2HD2 ASN 27 16.164 10.875 -3.347 187 H GLN 28 H GLN 28 13.257 4.739 -3.092 188 HA GLN 28 HA GLN 28 14.381 3.202 -5.341 189 HB2 GLN 28 1HB GLN 28 15.310 2.395 -3.272 190 HB3 GLN 28 2HB GLN 28 13.716 2.307 -2.535 191 HG2 GLN 28 1HG GLN 28 13.980 0.123 -3.050 192 HG3 GLN 28 2HG GLN 28 13.279 0.672 -4.572 193 HE21 GLN 28 1HE2 GLN 28 14.803 -1.630 -4.379 194 HE22 GLN 28 2HE2 GLN 28 16.279 -1.403 -5.247 195 HA PRO 29 HA PRO 29 10.234 2.553 -6.684 196 HB2 PRO 29 1HB PRO 29 10.664 0.393 -8.272 197 HB3 PRO 29 2HB PRO 29 11.146 2.031 -8.728 198 HG2 PRO 29 1HG PRO 29 12.803 -0.177 -7.573 199 HG3 PRO 29 2HG PRO 29 13.197 0.947 -8.886 200 HD2 PRO 29 1HD PRO 29 14.116 1.277 -6.360 201 HD3 PRO 29 2HD PRO 29 13.756 2.646 -7.432 202 H ALA 30 H ALA 30 9.268 1.930 -4.710 203 HA ALA 30 HA ALA 30 9.337 -0.926 -4.047 204 HB1 ALA 30 1HB ALA 30 8.964 1.533 -2.515 205 HB2 ALA 30 2HB ALA 30 7.822 0.254 -2.099 206 HB3 ALA 30 3HB ALA 30 9.557 -0.047 -2.002 207 H SER 31 H SER 31 7.812 -2.146 -4.930 208 HA SER 31 HA SER 31 5.096 -1.037 -5.182 209 HB2 SER 31 1HB SER 31 5.599 -1.120 -7.420 210 HB3 SER 31 2HB SER 31 6.782 -2.411 -7.216 211 HG SER 31 HG SER 31 5.147 -3.892 -7.122 212 H PHE 32 H PHE 32 3.376 -2.521 -4.945 213 HA PHE 32 HA PHE 32 4.021 -5.228 -4.081 214 HB2 PHE 32 1HB PHE 32 2.348 -4.759 -2.099 215 HB3 PHE 32 2HB PHE 32 4.058 -4.376 -1.937 216 HD1 PHE 32 2HD PHE 32 4.726 -1.944 -2.651 217 HD2 PHE 32 1HD PHE 32 0.790 -3.154 -1.572 218 HE1 PHE 32 2HE PHE 32 4.153 0.392 -2.132 219 HE2 PHE 32 1HE PHE 32 0.211 -0.820 -1.052 220 HZ PHE 32 HZ PHE 32 1.894 0.957 -1.331 221 H ALA 33 H ALA 33 1.774 -6.287 -3.368 222 HA ALA 33 HA ALA 33 -0.207 -5.530 -5.416 223 HB1 ALA 33 1HB ALA 33 -0.119 -7.564 -6.298 224 HB2 ALA 33 2HB ALA 33 1.245 -7.922 -5.238 225 HB3 ALA 33 3HB ALA 33 -0.397 -8.307 -4.722 226 H VAL 34 H VAL 34 -2.378 -5.688 -4.880 227 HA VAL 34 HA VAL 34 -2.936 -6.099 -2.013 228 HB VAL 34 HB VAL 34 -4.492 -4.328 -3.900 229 HG11 VAL 34 1HG1 VAL 34 -6.007 -4.642 -2.259 230 HG12 VAL 34 2HG1 VAL 34 -4.791 -5.158 -1.088 231 HG13 VAL 34 3HG1 VAL 34 -5.032 -3.441 -1.412 232 HG21 VAL 34 1HG2 VAL 34 -3.268 -2.714 -2.015 233 HG22 VAL 34 2HG2 VAL 34 -2.005 -3.853 -2.481 234 HG23 VAL 34 3HG2 VAL 34 -2.808 -2.876 -3.710 235 H GLN 35 H GLN 35 -3.860 -8.031 -1.771 236 HA GLN 35 HA GLN 35 -5.368 -9.322 -3.816 237 HB2 GLN 35 1HB GLN 35 -4.064 -10.556 -2.118 238 HB3 GLN 35 2HB GLN 35 -5.170 -9.989 -0.874 239 HG2 GLN 35 1HG GLN 35 -5.738 -12.237 -1.463 240 HG3 GLN 35 2HG GLN 35 -7.012 -11.157 -2.028 241 HE21 GLN 35 1HE2 GLN 35 -7.107 -13.483 -3.155 242 HE22 GLN 35 2HE2 GLN 35 -6.458 -13.486 -4.756 243 H LEU 36 H LEU 36 -7.559 -9.633 -4.006 244 HA LEU 36 HA LEU 36 -9.220 -7.724 -2.542 245 HB2 LEU 36 1HB LEU 36 -10.015 -9.430 -4.889 246 HB3 LEU 36 2HB LEU 36 -10.838 -8.001 -4.268 247 HG LEU 36 HG LEU 36 -8.096 -7.927 -5.516 248 HD11 LEU 36 1HD1 LEU 36 -9.702 -8.737 -7.157 249 HD12 LEU 36 2HD1 LEU 36 -9.197 -7.089 -7.529 250 HD13 LEU 36 3HD1 LEU 36 -10.772 -7.382 -6.794 251 HD21 LEU 36 1HD2 LEU 36 -9.967 -5.946 -4.370 252 HD22 LEU 36 2HD2 LEU 36 -9.141 -5.486 -5.859 253 HD23 LEU 36 3HD2 LEU 36 -8.204 -5.942 -4.435 254 H ASN 37 H ASN 37 -8.893 -11.169 -3.169 255 HA ASN 37 HA ASN 37 -9.841 -13.005 -2.216 256 HB2 ASN 37 1HB ASN 37 -10.242 -11.083 0.088 257 HB3 ASN 37 2HB ASN 37 -10.400 -12.834 0.194 258 HD21 ASN 37 1HD2 ASN 37 -8.274 -10.173 0.196 259 HD22 ASN 37 2HD2 ASN 37 -6.799 -11.055 0.374 260 H GLY 38 H GLY 38 -11.520 -11.359 -3.866 261 HA2 GLY 38 1HA GLY 38 -13.807 -12.221 -4.312 262 HA3 GLY 38 2HA GLY 38 -14.143 -11.906 -2.617 263 H ALA 39 H ALA 39 -12.776 -9.380 -2.503 264 HA ALA 39 HA ALA 39 -14.822 -7.620 -3.066 265 HB1 ALA 39 1HB ALA 39 -13.438 -5.974 -2.330 266 HB2 ALA 39 2HB ALA 39 -12.522 -7.371 -1.760 267 HB3 ALA 39 3HB ALA 39 -12.059 -6.563 -3.258 268 H ARG 40 H ARG 40 -15.482 -6.458 -4.791 269 HA ARG 40 HA ARG 40 -13.865 -6.586 -7.246 270 HB2 ARG 40 1HB ARG 40 -16.788 -7.197 -6.893 271 HB3 ARG 40 2HB ARG 40 -16.152 -6.667 -8.445 272 HG2 ARG 40 1HG ARG 40 -14.983 -9.009 -6.983 273 HG3 ARG 40 2HG ARG 40 -16.383 -9.173 -8.045 274 HD2 ARG 40 1HD ARG 40 -13.721 -8.012 -8.858 275 HD3 ARG 40 2HD ARG 40 -14.237 -9.668 -9.174 276 HE ARG 40 HE ARG 40 -16.217 -8.157 -10.256 277 HH11 ARG 40 1HH1 ARG 40 -12.755 -8.232 -10.613 278 HH12 ARG 40 2HH1 ARG 40 -12.782 -7.686 -12.257 279 HH21 ARG 40 1HH2 ARG 40 -16.266 -7.438 -12.420 280 HH22 ARG 40 2HH2 ARG 40 -14.780 -7.234 -13.284 281 H GLY 41 H GLY 41 -13.244 -4.565 -7.652 282 HA2 GLY 41 1HA GLY 41 -15.077 -2.520 -8.274 283 HA3 GLY 41 2HA GLY 41 -14.460 -2.247 -6.651 284 H VAL 42 H VAL 42 -13.180 -0.506 -6.937 285 HA VAL 42 HA VAL 42 -10.926 -0.815 -8.808 286 HB VAL 42 HB VAL 42 -12.519 1.692 -8.271 287 HG11 VAL 42 1HG1 VAL 42 -10.935 2.877 -9.668 288 HG12 VAL 42 2HG1 VAL 42 -10.098 2.157 -8.291 289 HG13 VAL 42 3HG1 VAL 42 -9.986 1.406 -9.883 290 HG21 VAL 42 1HG2 VAL 42 -12.783 1.651 -10.750 291 HG22 VAL 42 2HG2 VAL 42 -12.018 0.063 -10.758 292 HG23 VAL 42 3HG2 VAL 42 -13.554 0.297 -9.924 293 H ILE 43 H ILE 43 -8.953 -0.434 -7.984 294 HA ILE 43 HA ILE 43 -8.803 0.370 -5.170 295 HB ILE 43 HB ILE 43 -6.720 -0.933 -6.927 296 HG12 ILE 43 1HG1 ILE 43 -8.733 -2.317 -6.267 297 HG13 ILE 43 2HG1 ILE 43 -7.177 -2.957 -5.749 298 HG21 ILE 43 1HG2 ILE 43 -6.586 -0.620 -3.945 299 HG22 ILE 43 2HG2 ILE 43 -5.298 -1.052 -5.069 300 HG23 ILE 43 3HG2 ILE 43 -5.927 0.595 -5.040 301 HD11 ILE 43 1HD1 ILE 43 -8.497 -1.207 -3.805 302 HD12 ILE 43 2HD1 ILE 43 -9.345 -2.712 -4.160 303 HD13 ILE 43 3HD1 ILE 43 -7.680 -2.753 -3.579 304 H ASP 44 H ASP 44 -7.864 2.213 -4.524 305 HA ASP 44 HA ASP 44 -6.545 3.865 -6.578 306 HB2 ASP 44 1HB ASP 44 -8.042 4.816 -4.127 307 HB3 ASP 44 2HB ASP 44 -7.331 5.833 -5.377 308 H ALA 45 H ALA 45 -4.515 4.519 -6.220 309 HA ALA 45 HA ALA 45 -3.392 4.110 -3.524 310 HB1 ALA 45 1HB ALA 45 -1.357 3.360 -4.447 311 HB2 ALA 45 2HB ALA 45 -2.622 2.504 -5.329 312 HB3 ALA 45 3HB ALA 45 -1.809 3.883 -6.070 313 H ARG 46 H ARG 46 -2.698 5.902 -2.575 314 HA ARG 46 HA ARG 46 -1.430 8.001 -4.139 315 HB2 ARG 46 1HB ARG 46 -4.009 8.341 -2.641 316 HB3 ARG 46 2HB ARG 46 -2.898 9.693 -2.815 317 HG2 ARG 46 1HG ARG 46 -3.007 8.985 -5.361 318 HG3 ARG 46 2HG ARG 46 -4.564 8.328 -4.851 319 HD2 ARG 46 1HD ARG 46 -3.691 11.155 -4.294 320 HD3 ARG 46 2HD ARG 46 -4.609 10.689 -5.725 321 HE ARG 46 HE ARG 46 -5.912 9.761 -3.401 322 HH11 ARG 46 1HH1 ARG 46 -5.240 12.691 -5.156 323 HH12 ARG 46 2HH1 ARG 46 -6.662 13.507 -4.596 324 HH21 ARG 46 1HH2 ARG 46 -7.788 10.824 -2.657 325 HH22 ARG 46 2HH2 ARG 46 -8.110 12.445 -3.174 326 H VAL 47 H VAL 47 0.328 8.667 -3.105 327 HA VAL 47 HA VAL 47 0.599 8.061 -0.251 328 HB VAL 47 HB VAL 47 3.001 8.427 -0.570 329 HG11 VAL 47 1HG1 VAL 47 1.460 6.326 -1.609 330 HG12 VAL 47 2HG1 VAL 47 2.722 6.645 -2.802 331 HG13 VAL 47 3HG1 VAL 47 3.157 6.284 -1.130 332 HG21 VAL 47 1HG2 VAL 47 2.076 9.552 -3.103 333 HG22 VAL 47 2HG2 VAL 47 3.562 9.856 -2.203 334 HG23 VAL 47 3HG2 VAL 47 3.449 8.457 -3.271 335 H HIS 48 H HIS 48 1.193 9.600 1.263 336 HA HIS 48 HA HIS 48 0.911 12.399 0.384 337 HB2 HIS 48 1HB HIS 48 0.144 11.115 3.011 338 HB3 HIS 48 2HB HIS 48 0.114 12.851 2.715 339 HD1 HIS 48 1HD HIS 48 -2.017 13.761 1.827 340 HD2 HIS 48 2HD HIS 48 -1.695 9.665 1.212 341 HE1 HIS 48 1HE HIS 48 -4.229 13.050 0.865 342 HE2 HIS 48 2HE HIS 48 -4.041 10.554 0.580 343 H THR 49 H THR 49 2.837 13.347 0.326 344 HA THR 49 HA THR 49 5.131 12.453 1.681 345 HB THR 49 HB THR 49 6.194 14.525 0.977 346 HG1 THR 49 1HG THR 49 5.062 16.281 0.571 347 HG21 THR 49 1HG2 THR 49 4.642 14.236 -1.441 348 HG22 THR 49 2HG2 THR 49 4.988 12.663 -0.720 349 HG23 THR 49 3HG2 THR 49 6.309 13.762 -1.116 350 HA PRO 50 HA PRO 50 4.707 14.118 5.729 351 HB2 PRO 50 1HB PRO 50 7.324 14.420 6.384 352 HB3 PRO 50 2HB PRO 50 6.532 12.842 6.292 353 HG2 PRO 50 1HG PRO 50 8.274 14.208 4.277 354 HG3 PRO 50 2HG PRO 50 8.274 12.510 4.788 355 HD2 PRO 50 1HD PRO 50 7.100 13.340 2.494 356 HD3 PRO 50 2HD PRO 50 6.481 11.974 3.443 357 H SER 51 H SER 51 6.188 15.857 3.174 358 HA SER 51 HA SER 51 6.775 18.237 4.673 359 HB2 SER 51 1HB SER 51 8.006 17.618 2.600 360 HB3 SER 51 2HB SER 51 6.529 17.889 1.675 361 HG SER 51 HG SER 51 8.342 19.680 2.545 362 H GLY 52 H GLY 52 4.228 17.221 2.418 363 HA2 GLY 52 1HA GLY 52 1.970 18.061 3.307 364 HA3 GLY 52 2HA GLY 52 2.712 19.644 3.134 365 H ALA 53 H ALA 53 3.256 17.007 0.893 366 HA ALA 53 HA ALA 53 1.595 18.406 -1.097 367 HB1 ALA 53 1HB ALA 53 3.494 18.936 -2.145 368 HB2 ALA 53 2HB ALA 53 4.446 17.815 -1.170 369 HB3 ALA 53 3HB ALA 53 3.579 17.231 -2.590 370 H VAL 54 H VAL 54 0.135 17.161 -2.069 371 HA VAL 54 HA VAL 54 -0.010 14.357 -1.462 372 HB VAL 54 HB VAL 54 -1.726 16.030 -3.303 373 HG11 VAL 54 1HG1 VAL 54 -3.348 14.060 -2.689 374 HG12 VAL 54 2HG1 VAL 54 -2.193 13.897 -4.013 375 HG13 VAL 54 3HG1 VAL 54 -1.841 13.179 -2.441 376 HG21 VAL 54 1HG2 VAL 54 -2.237 16.947 -1.285 377 HG22 VAL 54 2HG2 VAL 54 -3.308 15.547 -1.217 378 HG23 VAL 54 3HG2 VAL 54 -1.754 15.510 -0.383 379 H GLU 55 H GLU 55 1.374 13.030 -2.465 380 HA GLU 55 HA GLU 55 2.162 13.499 -5.216 381 HB2 GLU 55 1HB GLU 55 3.029 11.654 -3.035 382 HB3 GLU 55 2HB GLU 55 3.377 11.204 -4.699 383 HG2 GLU 55 1HG GLU 55 4.214 13.769 -3.367 384 HG3 GLU 55 2HG GLU 55 5.247 12.370 -3.654 385 H GLU 56 H GLU 56 2.202 11.552 -6.712 386 HA GLU 56 HA GLU 56 -0.374 10.134 -6.512 387 HB2 GLU 56 1HB GLU 56 1.086 11.274 -8.880 388 HB3 GLU 56 2HB GLU 56 -0.111 10.002 -9.079 389 HG2 GLU 56 1HG GLU 56 -1.801 11.419 -8.040 390 HG3 GLU 56 2HG GLU 56 -0.603 12.694 -7.825 391 H CYS 57 H CYS 57 -0.474 7.973 -7.233 392 HA CYS 57 HA CYS 57 2.136 6.613 -7.237 393 HB2 CYS 57 1HB CYS 57 -0.587 5.611 -6.387 394 HB3 CYS 57 2HB CYS 57 0.855 4.607 -6.472 395 HG CYS 57 HG CYS 57 0.299 5.255 -3.791 396 H TYR 58 H TYR 58 1.625 4.210 -8.226 397 HA TYR 58 HA TYR 58 0.398 4.667 -10.864 398 HB2 TYR 58 1HB TYR 58 2.921 4.713 -10.902 399 HB3 TYR 58 2HB TYR 58 2.892 3.027 -10.396 400 HD1 TYR 58 1HD TYR 58 1.769 1.334 -11.909 401 HD2 TYR 58 2HD TYR 58 2.665 5.299 -13.166 402 HE1 TYR 58 1HE TYR 58 1.570 0.628 -14.257 403 HE2 TYR 58 2HE TYR 58 2.467 4.604 -15.517 404 HH TYR 58 HH TYR 58 2.739 1.834 -16.645 405 H VAL 59 H VAL 59 -1.385 3.455 -10.855 406 HA VAL 59 HA VAL 59 -1.113 0.613 -10.157 407 HB VAL 59 HB VAL 59 -2.209 1.591 -8.252 408 HG11 VAL 59 1HG1 VAL 59 -4.391 2.642 -10.028 409 HG12 VAL 59 2HG1 VAL 59 -4.076 3.011 -8.331 410 HG13 VAL 59 3HG1 VAL 59 -2.994 3.622 -9.583 411 HG21 VAL 59 1HG2 VAL 59 -3.377 -0.304 -8.259 412 HG22 VAL 59 2HG2 VAL 59 -4.690 0.591 -9.025 413 HG23 VAL 59 3HG2 VAL 59 -3.522 -0.282 -10.017 414 H SER 60 H SER 60 -1.342 -0.359 -12.072 415 HA SER 60 HA SER 60 -2.913 0.692 -14.201 416 HB2 SER 60 1HB SER 60 -0.900 -0.762 -14.512 417 HB3 SER 60 2HB SER 60 -1.841 -2.123 -13.901 418 HG SER 60 HG SER 60 -2.188 -0.655 -16.285 419 H GLU 61 H GLU 61 -4.574 -0.771 -15.315 420 HA GLU 61 HA GLU 61 -6.849 -0.962 -13.743 421 HB2 GLU 61 1HB GLU 61 -7.858 -2.194 -15.590 422 HB3 GLU 61 2HB GLU 61 -6.897 -0.853 -16.195 423 HG2 GLU 61 1HG GLU 61 -5.258 -2.236 -17.050 424 HG3 GLU 61 2HG GLU 61 -5.696 -3.577 -15.994 425 H LEU 62 H LEU 62 -8.087 -2.827 -13.075 426 HA LEU 62 HA LEU 62 -6.781 -4.552 -11.391 427 HB2 LEU 62 1HB LEU 62 -9.093 -4.342 -11.117 428 HB3 LEU 62 2HB LEU 62 -9.419 -4.754 -12.800 429 HG LEU 62 HG LEU 62 -8.417 -7.083 -12.066 430 HD11 LEU 62 1HD1 LEU 62 -8.969 -5.676 -9.530 431 HD12 LEU 62 2HD1 LEU 62 -7.831 -6.974 -9.887 432 HD13 LEU 62 3HD1 LEU 62 -9.539 -7.341 -9.649 433 HD21 LEU 62 1HD2 LEU 62 -11.013 -5.971 -12.343 434 HD22 LEU 62 2HD2 LEU 62 -11.045 -7.103 -10.991 435 HD23 LEU 62 3HD2 LEU 62 -10.500 -7.642 -12.580 436 H ASP 63 H ASP 63 -5.897 -6.567 -11.505 437 HA ASP 63 HA ASP 63 -6.029 -8.079 -13.983 438 HB2 ASP 63 1HB ASP 63 -4.091 -6.474 -14.194 439 HB3 ASP 63 2HB ASP 63 -3.341 -7.311 -12.837 440 H SER 64 H SER 64 -6.221 -10.171 -13.537 441 HA SER 64 HA SER 64 -6.413 -12.088 -12.311 442 HB2 SER 64 1HB SER 64 -3.842 -11.708 -12.749 443 HB3 SER 64 2HB SER 64 -3.791 -11.475 -11.002 444 HG SER 64 HG SER 64 -4.807 -13.751 -12.363 445 H ASP 65 H ASP 65 -7.810 -10.069 -11.130 446 HA ASP 65 HA ASP 65 -8.699 -9.312 -9.168 447 HB2 ASP 65 1HB ASP 65 -7.823 -12.084 -8.333 448 HB3 ASP 65 2HB ASP 65 -8.901 -11.058 -7.389 449 H LYS 66 H LYS 66 -6.069 -8.441 -9.589 450 HA LYS 66 HA LYS 66 -5.319 -7.821 -6.868 451 HB2 LYS 66 1HB LYS 66 -3.686 -9.594 -8.617 452 HB3 LYS 66 2HB LYS 66 -2.836 -8.408 -7.635 453 HG2 LYS 66 1HG LYS 66 -4.124 -9.341 -5.658 454 HG3 LYS 66 2HG LYS 66 -4.583 -10.672 -6.723 455 HD2 LYS 66 1HD LYS 66 -2.076 -10.927 -7.176 456 HD3 LYS 66 2HD LYS 66 -1.843 -9.889 -5.768 457 HE2 LYS 66 1HE LYS 66 -2.854 -11.451 -4.324 458 HE3 LYS 66 2HE LYS 66 -3.536 -12.370 -5.665 459 HZ1 LYS 66 1HZ LYS 66 -1.379 -13.156 -4.417 460 HZ2 LYS 66 2HZ LYS 66 -0.625 -12.117 -5.518 461 HZ3 LYS 66 3HZ LYS 66 -1.570 -13.403 -6.079 462 H HIS 67 H HIS 67 -4.326 -5.861 -6.693 463 HA HIS 67 HA HIS 67 -3.808 -4.435 -9.219 464 HB2 HIS 67 1HB HIS 67 -4.853 -3.451 -6.566 465 HB3 HIS 67 2HB HIS 67 -4.234 -2.356 -7.798 466 HD1 HIS 67 1HD HIS 67 -5.710 -1.912 -9.835 467 HD2 HIS 67 2HD HIS 67 -7.311 -4.699 -7.203 468 HE1 HIS 67 1HE HIS 67 -8.089 -2.247 -10.577 469 HE2 HIS 67 2HE HIS 67 -9.062 -3.873 -8.918 470 H THR 68 H THR 68 -1.838 -3.620 -9.568 471 HA THR 68 HA THR 68 0.156 -3.911 -7.439 472 HB THR 68 HB THR 68 0.544 -3.498 -10.410 473 HG1 THR 68 1HG THR 68 -0.170 -5.581 -10.003 474 HG21 THR 68 1HG2 THR 68 2.637 -2.916 -9.908 475 HG22 THR 68 2HG2 THR 68 2.870 -4.519 -9.212 476 HG23 THR 68 3HG2 THR 68 2.345 -3.182 -8.190 477 H ILE 69 H ILE 69 1.358 -2.226 -6.683 478 HA ILE 69 HA ILE 69 0.711 0.447 -7.745 479 HB ILE 69 HB ILE 69 1.515 0.054 -4.890 480 HG12 ILE 69 1HG1 ILE 69 -0.350 -1.486 -5.193 481 HG13 ILE 69 2HG1 ILE 69 -0.875 -0.083 -4.269 482 HG21 ILE 69 1HG2 ILE 69 1.471 2.308 -5.818 483 HG22 ILE 69 2HG2 ILE 69 -0.212 2.087 -6.294 484 HG23 ILE 69 3HG2 ILE 69 0.225 2.108 -4.586 485 HD11 ILE 69 1HD1 ILE 69 -2.252 -1.102 -6.317 486 HD12 ILE 69 2HD1 ILE 69 -2.299 0.604 -5.872 487 HD13 ILE 69 3HD1 ILE 69 -1.255 0.064 -7.187 488 H ARG 70 H ARG 70 2.365 1.917 -7.955 489 HA ARG 70 HA ARG 70 5.058 1.093 -7.152 490 HB2 ARG 70 1HB ARG 70 4.372 0.566 -9.649 491 HB3 ARG 70 2HB ARG 70 4.708 2.278 -9.870 492 HG2 ARG 70 1HG ARG 70 6.950 2.032 -9.484 493 HG3 ARG 70 2HG ARG 70 6.731 0.592 -8.487 494 HD2 ARG 70 1HD ARG 70 6.332 0.721 -11.474 495 HD3 ARG 70 2HD ARG 70 7.769 0.094 -10.668 496 HE ARG 70 HE ARG 70 5.617 -1.302 -9.636 497 HH11 ARG 70 1HH1 ARG 70 7.124 -0.838 -12.740 498 HH12 ARG 70 2HH1 ARG 70 6.673 -2.400 -13.338 499 HH21 ARG 70 1HH2 ARG 70 5.017 -3.361 -10.412 500 HH22 ARG 70 2HH2 ARG 70 5.474 -3.834 -12.014 501 H PHE 71 H PHE 71 6.011 2.692 -6.093 502 HA PHE 71 HA PHE 71 5.868 5.414 -7.006 503 HB2 PHE 71 1HB PHE 71 4.997 6.286 -4.817 504 HB3 PHE 71 2HB PHE 71 3.804 5.421 -5.781 505 HD1 PHE 71 1HD PHE 71 6.196 4.957 -2.976 506 HD2 PHE 71 2HD PHE 71 2.591 3.682 -4.846 507 HE1 PHE 71 1HE PHE 71 5.729 3.482 -1.062 508 HE2 PHE 71 2HE PHE 71 2.118 2.206 -2.936 509 HZ PHE 71 HZ PHE 71 3.687 2.105 -1.040 510 H ILE 72 H ILE 72 7.500 6.700 -6.168 511 HA ILE 72 HA ILE 72 9.410 5.311 -4.403 512 HB ILE 72 HB ILE 72 9.988 7.293 -6.607 513 HG12 ILE 72 1HG1 ILE 72 10.908 4.429 -6.369 514 HG13 ILE 72 2HG1 ILE 72 9.429 4.880 -7.210 515 HG21 ILE 72 1HG2 ILE 72 11.536 6.466 -4.284 516 HG22 ILE 72 2HG2 ILE 72 12.386 6.211 -5.807 517 HG23 ILE 72 3HG2 ILE 72 11.786 7.817 -5.390 518 HD11 ILE 72 1HD1 ILE 72 11.949 6.248 -7.972 519 HD12 ILE 72 2HD1 ILE 72 11.704 4.579 -8.485 520 HD13 ILE 72 3HD1 ILE 72 10.547 5.824 -8.953 521 HA PRO 73 HA PRO 73 8.561 8.681 -1.626 522 HB2 PRO 73 1HB PRO 73 10.366 7.953 0.267 523 HB3 PRO 73 2HB PRO 73 8.809 7.142 0.063 524 HG2 PRO 73 1HG PRO 73 11.517 6.317 -0.910 525 HG3 PRO 73 2HG PRO 73 10.245 5.328 -0.169 526 HD2 PRO 73 1HD PRO 73 10.674 5.386 -2.842 527 HD3 PRO 73 2HD PRO 73 9.061 5.151 -2.139 528 H HIS 74 H HIS 74 9.506 10.170 -3.243 529 HA HIS 74 HA HIS 74 12.090 10.769 -3.749 530 HB2 HIS 74 1HB HIS 74 9.903 12.765 -3.126 531 HB3 HIS 74 2HB HIS 74 11.416 13.152 -3.940 532 HD1 HIS 74 1HD HIS 74 11.773 11.650 -6.249 533 HD2 HIS 74 2HD HIS 74 7.900 12.179 -4.840 534 HE1 HIS 74 1HE HIS 74 10.272 11.159 -8.206 535 HE2 HIS 74 2HE HIS 74 7.938 11.568 -7.353 536 H GLU 75 H GLU 75 10.409 11.289 -0.732 537 HA GLU 75 HA GLU 75 12.949 12.173 0.463 538 HB2 GLU 75 1HB GLU 75 11.697 13.643 1.979 539 HB3 GLU 75 2HB GLU 75 11.466 14.103 0.298 540 HG2 GLU 75 1HG GLU 75 9.347 12.570 0.504 541 HG3 GLU 75 2HG GLU 75 9.539 12.913 2.223 542 H ASN 76 H ASN 76 13.046 11.794 2.832 543 HA ASN 76 HA ASN 76 12.217 9.110 3.412 544 HB2 ASN 76 1HB ASN 76 13.881 11.178 4.787 545 HB3 ASN 76 2HB ASN 76 13.266 9.825 5.732 546 HD21 ASN 76 1HD2 ASN 76 13.433 7.726 4.104 547 HD22 ASN 76 2HD2 ASN 76 15.066 7.437 3.622 548 H GLY 77 H GLY 77 11.505 8.870 5.922 549 HA2 GLY 77 1HA GLY 77 10.009 9.691 7.614 550 HA3 GLY 77 2HA GLY 77 9.256 10.710 6.396 551 H VAL 78 H VAL 78 7.621 9.271 7.961 552 HA VAL 78 HA VAL 78 6.962 6.770 6.630 553 HB VAL 78 HB VAL 78 5.593 8.146 8.946 554 HG11 VAL 78 1HG1 VAL 78 5.298 5.244 8.400 555 HG12 VAL 78 2HG1 VAL 78 4.160 6.384 9.122 556 HG13 VAL 78 3HG1 VAL 78 4.405 6.367 7.375 557 HG21 VAL 78 1HG2 VAL 78 8.063 7.118 9.034 558 HG22 VAL 78 2HG2 VAL 78 6.939 7.030 10.390 559 HG23 VAL 78 3HG2 VAL 78 7.131 5.647 9.313 560 H HIS 79 H HIS 79 6.147 7.252 4.634 561 HA HIS 79 HA HIS 79 4.274 9.345 4.161 562 HB2 HIS 79 1HB HIS 79 4.889 6.930 2.445 563 HB3 HIS 79 2HB HIS 79 4.076 8.401 1.919 564 HD1 HIS 79 1HD HIS 79 7.059 8.723 4.121 565 HD2 HIS 79 2HD HIS 79 6.150 8.891 0.070 566 HE1 HIS 79 1HE HIS 79 9.088 9.716 3.017 567 HE2 HIS 79 2HE HIS 79 8.482 9.887 0.578 568 H SER 80 H SER 80 2.070 9.054 3.396 569 HA SER 80 HA SER 80 0.739 6.820 4.777 570 HB2 SER 80 1HB SER 80 0.040 9.693 4.416 571 HB3 SER 80 2HB SER 80 -1.287 8.532 4.440 572 HG SER 80 HG SER 80 -0.951 9.106 6.534 573 H ILE 81 H ILE 81 -0.010 5.295 3.479 574 HA ILE 81 HA ILE 81 -0.547 5.903 0.676 575 HB ILE 81 HB ILE 81 -0.765 3.173 1.904 576 HG12 ILE 81 1HG1 ILE 81 1.428 4.316 2.517 577 HG13 ILE 81 2HG1 ILE 81 1.562 2.787 1.656 578 HG21 ILE 81 1HG2 ILE 81 0.277 2.773 -0.504 579 HG22 ILE 81 2HG2 ILE 81 -1.457 2.957 -0.251 580 HG23 ILE 81 3HG2 ILE 81 -0.498 4.326 -0.814 581 HD11 ILE 81 1HD1 ILE 81 1.489 4.833 -0.283 582 HD12 ILE 81 2HD1 ILE 81 2.632 5.323 0.968 583 HD13 ILE 81 3HD1 ILE 81 2.832 3.775 0.148 584 H ASP 82 H ASP 82 -2.525 6.691 0.315 585 HA ASP 82 HA ASP 82 -4.796 5.848 1.898 586 HB2 ASP 82 1HB ASP 82 -4.301 8.220 0.923 587 HB3 ASP 82 2HB ASP 82 -5.008 7.567 -0.552 588 H VAL 83 H VAL 83 -5.719 3.957 1.467 589 HA VAL 83 HA VAL 83 -5.952 3.109 -1.345 590 HB VAL 83 HB VAL 83 -6.080 1.376 1.127 591 HG11 VAL 83 1HG1 VAL 83 -7.363 0.380 -0.610 592 HG12 VAL 83 2HG1 VAL 83 -6.125 0.740 -1.816 593 HG13 VAL 83 3HG1 VAL 83 -5.815 -0.463 -0.564 594 HG21 VAL 83 1HG2 VAL 83 -3.834 2.535 0.030 595 HG22 VAL 83 2HG2 VAL 83 -3.865 1.094 1.046 596 HG23 VAL 83 3HG2 VAL 83 -3.867 0.934 -0.710 597 H LYS 84 H LYS 84 -7.898 3.547 -2.139 598 HA LYS 84 HA LYS 84 -10.243 3.213 -0.387 599 HB2 LYS 84 1HB LYS 84 -9.678 5.087 -2.662 600 HB3 LYS 84 2HB LYS 84 -11.337 4.680 -2.242 601 HG2 LYS 84 1HG LYS 84 -10.671 5.381 0.146 602 HG3 LYS 84 2HG LYS 84 -9.297 6.166 -0.637 603 HD2 LYS 84 1HD LYS 84 -11.002 7.288 -2.155 604 HD3 LYS 84 2HD LYS 84 -12.231 6.712 -1.026 605 HE2 LYS 84 1HE LYS 84 -11.628 8.976 -0.462 606 HE3 LYS 84 2HE LYS 84 -11.049 7.889 0.799 607 HZ1 LYS 84 1HZ LYS 84 -9.169 8.440 -1.340 608 HZ2 LYS 84 2HZ LYS 84 -8.913 8.343 0.329 609 HZ3 LYS 84 3HZ LYS 84 -9.542 9.760 -0.349 610 H PHE 85 H PHE 85 -12.088 2.172 -1.202 611 HA PHE 85 HA PHE 85 -11.809 0.790 -3.769 612 HB2 PHE 85 1HB PHE 85 -11.042 -0.670 -1.815 613 HB3 PHE 85 2HB PHE 85 -12.726 -0.680 -1.302 614 HD1 PHE 85 1HD PHE 85 -10.844 -1.160 -4.493 615 HD2 PHE 85 2HD PHE 85 -13.897 -2.556 -1.876 616 HE1 PHE 85 1HE PHE 85 -11.292 -3.035 -6.022 617 HE2 PHE 85 2HE PHE 85 -14.350 -4.433 -3.400 618 HZ PHE 85 HZ PHE 85 -13.046 -4.675 -5.476 619 H ASN 86 H ASN 86 -13.504 1.489 -4.890 620 HA ASN 86 HA ASN 86 -15.636 2.002 -5.492 621 HB2 ASN 86 1HB ASN 86 -16.277 0.150 -3.188 622 HB3 ASN 86 2HB ASN 86 -17.468 0.754 -4.336 623 HD21 ASN 86 1HD2 ASN 86 -16.912 0.339 -6.666 624 HD22 ASN 86 2HD2 ASN 86 -16.257 -1.215 -7.044 625 H GLY 87 H GLY 87 -14.238 3.730 -3.638 626 HA2 GLY 87 1HA GLY 87 -14.786 5.754 -2.653 627 HA3 GLY 87 2HA GLY 87 -16.484 5.332 -2.813 628 H ALA 88 H ALA 88 -14.082 3.333 -1.209 629 HA ALA 88 HA ALA 88 -15.143 4.119 1.408 630 HB1 ALA 88 1HB ALA 88 -16.314 2.251 1.642 631 HB2 ALA 88 2HB ALA 88 -15.759 1.666 0.073 632 HB3 ALA 88 3HB ALA 88 -14.816 1.327 1.524 633 H HIS 89 H HIS 89 -13.746 3.752 3.149 634 HA HIS 89 HA HIS 89 -10.947 3.522 2.386 635 HB2 HIS 89 1HB HIS 89 -12.434 4.594 4.726 636 HB3 HIS 89 2HB HIS 89 -10.808 3.987 5.020 637 HD1 HIS 89 1HD HIS 89 -8.846 5.244 3.815 638 HD2 HIS 89 2HD HIS 89 -12.579 7.019 3.400 639 HE1 HIS 89 1HE HIS 89 -8.395 7.567 2.966 640 HE2 HIS 89 2HE HIS 89 -10.663 8.651 2.803 641 H ILE 90 H ILE 90 -9.759 1.753 2.671 642 HA ILE 90 HA ILE 90 -10.924 -0.636 3.716 643 HB ILE 90 HB ILE 90 -8.845 -1.720 3.182 644 HG12 ILE 90 1HG1 ILE 90 -7.577 0.878 2.392 645 HG13 ILE 90 2HG1 ILE 90 -7.521 0.364 4.074 646 HG21 ILE 90 1HG2 ILE 90 -9.275 -1.655 0.998 647 HG22 ILE 90 2HG2 ILE 90 -10.422 -0.365 1.360 648 HG23 ILE 90 3HG2 ILE 90 -8.774 0.031 0.873 649 HD11 ILE 90 1HD1 ILE 90 -5.721 -0.814 3.571 650 HD12 ILE 90 2HD1 ILE 90 -6.743 -1.865 2.590 651 HD13 ILE 90 3HD1 ILE 90 -5.928 -0.488 1.850 652 HA PRO 91 HA PRO 91 -9.711 -0.445 7.934 653 HB2 PRO 91 1HB PRO 91 -9.361 -3.084 8.469 654 HB3 PRO 91 2HB PRO 91 -10.954 -2.353 8.241 655 HG2 PRO 91 1HG PRO 91 -9.289 -3.908 6.300 656 HG3 PRO 91 2HG PRO 91 -11.032 -4.009 6.611 657 HD2 PRO 91 1HD PRO 91 -10.005 -2.662 4.499 658 HD3 PRO 91 2HD PRO 91 -11.498 -2.159 5.319 659 H GLY 92 H GLY 92 -7.740 0.527 8.149 660 HA2 GLY 92 1HA GLY 92 -5.551 -0.201 9.166 661 HA3 GLY 92 2HA GLY 92 -5.360 -1.168 7.712 662 H SER 93 H SER 93 -6.739 1.205 6.282 663 HA SER 93 HA SER 93 -4.243 2.557 5.660 664 HB2 SER 93 1HB SER 93 -5.263 2.151 3.652 665 HB3 SER 93 2HB SER 93 -6.885 2.240 4.337 666 HG SER 93 HG SER 93 -6.948 4.310 3.924 667 HA PRO 94 HA PRO 94 -3.907 4.508 4.355 668 HB2 PRO 94 1HB PRO 94 -2.037 6.315 5.135 669 HB3 PRO 94 2HB PRO 94 -3.541 6.776 4.330 670 HG2 PRO 94 1HG PRO 94 -2.859 6.830 7.244 671 HG3 PRO 94 2HG PRO 94 -3.717 8.041 6.273 672 HD2 PRO 94 1HD PRO 94 -5.005 6.284 7.882 673 HD3 PRO 94 2HD PRO 94 -5.711 6.887 6.369 674 H PHE 95 H PHE 95 -2.057 3.321 4.083 675 HA PHE 95 HA PHE 95 -1.095 1.874 6.379 676 HB2 PHE 95 1HB PHE 95 -0.497 1.743 3.429 677 HB3 PHE 95 2HB PHE 95 0.410 0.793 4.601 678 HD1 PHE 95 1HD PHE 95 -1.257 -0.433 6.368 679 HD2 PHE 95 2HD PHE 95 -2.174 0.632 2.351 680 HE1 PHE 95 1HE PHE 95 -3.000 -2.169 6.309 681 HE2 PHE 95 2HE PHE 95 -3.918 -1.102 2.285 682 HZ PHE 95 HZ PHE 95 -4.333 -2.505 4.266 683 H LYS 96 H LYS 96 0.504 2.527 7.639 684 HA LYS 96 HA LYS 96 2.232 4.696 6.846 685 HB2 LYS 96 1HB LYS 96 2.303 3.038 9.372 686 HB3 LYS 96 2HB LYS 96 3.094 4.587 9.113 687 HG2 LYS 96 1HG LYS 96 0.144 4.420 8.776 688 HG3 LYS 96 2HG LYS 96 0.819 4.416 10.407 689 HD2 LYS 96 1HD LYS 96 2.171 6.471 9.577 690 HD3 LYS 96 2HD LYS 96 0.947 6.548 8.308 691 HE2 LYS 96 1HE LYS 96 0.046 7.928 9.923 692 HE3 LYS 96 2HE LYS 96 -0.731 6.388 10.288 693 HZ1 LYS 96 1HZ LYS 96 0.678 7.937 12.037 694 HZ2 LYS 96 2HZ LYS 96 1.760 6.694 11.655 695 HZ3 LYS 96 3HZ LYS 96 0.231 6.323 12.276 696 H ILE 97 H ILE 97 4.014 4.394 5.698 697 HA ILE 97 HA ILE 97 5.502 1.874 6.047 698 HB ILE 97 HB ILE 97 6.411 2.348 3.732 699 HG12 ILE 97 1HG1 ILE 97 4.048 4.237 3.645 700 HG13 ILE 97 2HG1 ILE 97 5.739 4.727 3.651 701 HG21 ILE 97 1HG2 ILE 97 4.619 0.682 4.315 702 HG22 ILE 97 2HG2 ILE 97 3.438 1.890 3.810 703 HG23 ILE 97 3HG2 ILE 97 4.603 1.257 2.647 704 HD11 ILE 97 1HD1 ILE 97 6.055 3.535 1.520 705 HD12 ILE 97 2HD1 ILE 97 4.333 3.153 1.508 706 HD13 ILE 97 3HD1 ILE 97 4.865 4.832 1.417 707 H ARG 98 H ARG 98 7.451 2.060 6.918 708 HA ARG 98 HA ARG 98 8.634 4.684 7.266 709 HB2 ARG 98 1HB ARG 98 8.525 2.884 9.066 710 HB3 ARG 98 2HB ARG 98 9.782 2.047 8.166 711 HG2 ARG 98 1HG ARG 98 11.389 3.570 8.717 712 HG3 ARG 98 2HG ARG 98 10.232 4.891 8.891 713 HD2 ARG 98 1HD ARG 98 9.648 4.276 11.034 714 HD3 ARG 98 2HD ARG 98 10.124 2.595 10.792 715 HE ARG 98 HE ARG 98 12.414 4.193 10.629 716 HH11 ARG 98 1HH1 ARG 98 10.044 3.185 12.972 717 HH12 ARG 98 2HH1 ARG 98 11.132 3.302 14.315 718 HH21 ARG 98 1HH2 ARG 98 13.856 4.350 12.389 719 HH22 ARG 98 2HH2 ARG 98 13.300 3.965 13.983 720 H VAL 99 H VAL 99 10.043 5.524 5.891 721 HA VAL 99 HA VAL 99 11.491 3.726 4.070 722 HB VAL 99 HB VAL 99 11.019 6.696 3.787 723 HG11 VAL 99 1HG1 VAL 99 11.625 5.936 1.329 724 HG12 VAL 99 2HG1 VAL 99 12.874 6.371 2.497 725 HG13 VAL 99 3HG1 VAL 99 12.502 4.674 2.193 726 HG21 VAL 99 1HG2 VAL 99 8.965 5.264 3.639 727 HG22 VAL 99 2HG2 VAL 99 9.333 6.185 2.180 728 HG23 VAL 99 3HG2 VAL 99 9.704 4.462 2.252 729 H GLY 100 H GLY 100 13.709 3.909 3.779 730 HA2 GLY 100 1HA GLY 100 15.888 4.346 4.357 731 HA3 GLY 100 2HA GLY 100 15.329 5.913 4.924 732 H GLU 101 H GLU 101 16.305 2.738 5.812 733 HA GLU 101 HA GLU 101 15.568 3.147 8.609 734 HB2 GLU 101 1HB GLU 101 16.554 0.800 7.023 735 HB3 GLU 101 2HB GLU 101 16.686 0.796 8.776 736 HG2 GLU 101 1HG GLU 101 14.633 -0.292 7.701 737 HG3 GLU 101 2HG GLU 101 14.390 0.779 9.080 738 H GLN 102 H GLN 102 16.987 3.616 10.192 739 HA GLN 102 HA GLN 102 19.634 4.460 9.431 740 HB2 GLN 102 1HB GLN 102 17.981 5.504 11.186 741 HB3 GLN 102 2HB GLN 102 18.716 4.336 12.276 742 HG2 GLN 102 1HG GLN 102 20.461 6.119 10.648 743 HG3 GLN 102 2HG GLN 102 19.663 6.754 12.086 744 HE21 GLN 102 1HE2 GLN 102 19.808 4.961 13.943 745 HE22 GLN 102 2HE2 GLN 102 21.426 4.450 14.265 746 H SER 103 H SER 103 21.558 3.811 10.691 747 HA SER 103 HA SER 103 23.047 2.238 11.385 748 HB2 SER 103 1HB SER 103 21.469 2.132 13.334 749 HB3 SER 103 2HB SER 103 20.650 0.791 12.533 750 HG SER 103 HG SER 103 23.005 -0.039 12.472 751 H GLN 104 H GLN 104 22.207 2.027 8.770 752 HA GLN 104 HA GLN 104 21.852 -0.854 8.322 753 HB2 GLN 104 1HB GLN 104 21.234 -0.254 6.029 754 HB3 GLN 104 2HB GLN 104 20.226 0.585 7.199 755 HG2 GLN 104 1HG GLN 104 20.686 2.278 5.744 756 HG3 GLN 104 2HG GLN 104 21.992 2.489 6.909 757 HE21 GLN 104 1HE2 GLN 104 21.309 0.620 3.967 758 HE22 GLN 104 2HE2 GLN 104 22.852 0.884 3.237 759 H ALA 105 H ALA 105 24.374 0.304 9.160 760 HA ALA 105 HA ALA 105 26.014 -0.061 6.746 761 HB1 ALA 105 1HB ALA 105 26.135 1.829 8.845 762 HB2 ALA 105 2HB ALA 105 27.575 0.816 8.959 763 HB3 ALA 105 3HB ALA 105 27.210 1.665 7.456 764 H GLY 106 H GLY 106 25.675 -1.074 10.125 765 HA2 GLY 106 1HA GLY 106 25.995 -3.605 10.273 766 HA3 GLY 106 2HA GLY 106 27.580 -3.263 9.594 767 H SER 107 H SER 107 26.013 -3.918 12.388 768 HA SER 107 HA SER 107 26.969 -2.149 14.290 769 HB2 SER 107 1HB SER 107 26.326 -5.085 14.390 770 HB3 SER 107 2HB SER 107 26.948 -4.252 15.814 771 HG SER 107 HG SER 107 24.835 -3.048 14.462 772 H GLY 108 H GLY 108 28.665 -2.710 15.990 773 HA2 GLY 108 1HA GLY 108 30.869 -3.042 16.546 774 HA3 GLY 108 2HA GLY 108 30.893 -4.315 15.334 775 HA PRO 109 HA PRO 109 33.807 -1.077 13.867 776 HB2 PRO 109 1HB PRO 109 35.609 -2.848 12.874 777 HB3 PRO 109 2HB PRO 109 35.590 -2.345 14.568 778 HG2 PRO 109 1HG PRO 109 34.483 -4.829 13.316 779 HG3 PRO 109 2HG PRO 109 35.395 -4.648 14.826 780 HD2 PRO 109 1HD PRO 109 32.701 -4.918 14.774 781 HD3 PRO 109 2HD PRO 109 33.542 -3.959 16.010 782 H SER 110 H SER 110 32.369 -0.405 12.239 783 HA SER 110 HA SER 110 31.311 -1.679 10.121 784 HB2 SER 110 1HB SER 110 32.476 1.066 10.381 785 HB3 SER 110 2HB SER 110 31.918 0.521 8.799 786 HG SER 110 HG SER 110 30.213 0.106 10.959 787 H SER 111 H SER 111 32.096 -3.059 8.690 788 HA SER 111 HA SER 111 34.725 -2.519 7.493 789 HB2 SER 111 1HB SER 111 34.814 -4.327 9.283 790 HB3 SER 111 2HB SER 111 33.808 -5.305 8.215 791 HG SER 111 HG SER 111 36.300 -5.359 8.134 792 H GLY 112 H GLY 112 35.037 -4.079 5.534 793 HA2 GLY 112 1HA GLY 112 32.515 -4.021 3.999 794 HA3 GLY 112 2HA GLY 112 34.106 -3.765 3.297 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -31.517 -19.673 -11.226 2 HA2 GLY 1 1HA GLY 1 -30.077 -18.141 -10.139 3 HA3 GLY 1 2HA GLY 1 -29.175 -18.592 -11.578 4 H SER 2 H SER 2 -30.957 -16.100 -9.972 5 HA SER 2 HA SER 2 -29.954 -14.171 -11.932 6 HB2 SER 2 1HB SER 2 -32.820 -14.615 -11.187 7 HB3 SER 2 2HB SER 2 -32.273 -12.977 -11.545 8 HG SER 2 HG SER 2 -31.534 -13.758 -13.569 9 H SER 3 H SER 3 -29.020 -12.478 -10.987 10 HA SER 3 HA SER 3 -29.954 -11.252 -8.610 11 HB2 SER 3 1HB SER 3 -28.322 -11.897 -7.019 12 HB3 SER 3 2HB SER 3 -28.867 -13.406 -7.751 13 HG SER 3 HG SER 3 -26.950 -12.842 -9.260 14 H GLY 4 H GLY 4 -28.615 -9.434 -7.949 15 HA2 GLY 4 1HA GLY 4 -26.902 -8.515 -10.172 16 HA3 GLY 4 2HA GLY 4 -27.869 -7.454 -9.158 17 H SER 5 H SER 5 -26.622 -6.259 -7.896 18 HA SER 5 HA SER 5 -23.992 -7.191 -7.110 19 HB2 SER 5 1HB SER 5 -24.498 -4.821 -7.874 20 HB3 SER 5 2HB SER 5 -25.311 -4.588 -6.327 21 HG SER 5 HG SER 5 -23.042 -3.951 -6.410 22 H SER 6 H SER 6 -23.874 -8.535 -5.436 23 HA SER 6 HA SER 6 -25.801 -8.390 -3.270 24 HB2 SER 6 1HB SER 6 -25.090 -10.584 -4.194 25 HB3 SER 6 2HB SER 6 -23.450 -10.264 -3.629 26 HG SER 6 HG SER 6 -24.780 -9.898 -1.515 27 H GLY 7 H GLY 7 -22.240 -8.350 -3.539 28 HA2 GLY 7 1HA GLY 7 -22.035 -7.239 -0.855 29 HA3 GLY 7 2HA GLY 7 -20.700 -7.735 -1.884 30 H SER 8 H SER 8 -22.105 -5.135 -0.483 31 HA SER 8 HA SER 8 -21.678 -3.255 -2.655 32 HB2 SER 8 1HB SER 8 -22.829 -3.101 0.099 33 HB3 SER 8 2HB SER 8 -22.222 -1.619 -0.642 34 HG SER 8 HG SER 8 -24.315 -1.754 -1.265 35 H ASP 9 H ASP 9 -20.496 -3.521 0.703 36 HA ASP 9 HA ASP 9 -18.013 -2.199 -0.168 37 HB2 ASP 9 1HB ASP 9 -18.997 -2.406 2.676 38 HB3 ASP 9 2HB ASP 9 -17.751 -1.339 2.035 39 H ASP 10 H ASP 10 -17.095 -4.178 -0.893 40 HA ASP 10 HA ASP 10 -16.526 -6.171 1.181 41 HB2 ASP 10 1HB ASP 10 -16.552 -6.220 -1.809 42 HB3 ASP 10 2HB ASP 10 -15.529 -7.367 -0.950 43 H ALA 11 H ALA 11 -15.204 -3.719 1.414 44 HA ALA 11 HA ALA 11 -12.541 -4.019 0.313 45 HB1 ALA 11 1HB ALA 11 -14.092 -1.882 1.431 46 HB2 ALA 11 2HB ALA 11 -12.531 -1.985 2.247 47 HB3 ALA 11 3HB ALA 11 -12.599 -1.808 0.494 48 H ARG 12 H ARG 12 -14.226 -4.963 3.128 49 HA ARG 12 HA ARG 12 -12.094 -4.974 4.989 50 HB2 ARG 12 1HB ARG 12 -14.434 -6.875 5.012 51 HB3 ARG 12 2HB ARG 12 -13.509 -6.279 6.383 52 HG2 ARG 12 1HG ARG 12 -15.374 -4.671 4.652 53 HG3 ARG 12 2HG ARG 12 -15.673 -5.214 6.304 54 HD2 ARG 12 1HD ARG 12 -13.476 -3.921 6.834 55 HD3 ARG 12 2HD ARG 12 -13.807 -3.102 5.308 56 HE ARG 12 HE ARG 12 -16.120 -3.076 6.914 57 HH11 ARG 12 1HH1 ARG 12 -12.946 -1.659 6.718 58 HH12 ARG 12 2HH1 ARG 12 -13.404 -0.202 7.536 59 HH21 ARG 12 1HH2 ARG 12 -16.734 -1.163 7.993 60 HH22 ARG 12 2HH2 ARG 12 -15.558 0.079 8.261 61 H ARG 13 H ARG 13 -12.742 -6.892 2.267 62 HA ARG 13 HA ARG 13 -11.267 -9.203 3.252 63 HB2 ARG 13 1HB ARG 13 -12.594 -8.648 0.593 64 HB3 ARG 13 2HB ARG 13 -11.761 -10.144 0.992 65 HG2 ARG 13 1HG ARG 13 -13.396 -10.818 2.471 66 HG3 ARG 13 2HG ARG 13 -13.977 -9.174 2.737 67 HD2 ARG 13 1HD ARG 13 -15.649 -9.941 1.392 68 HD3 ARG 13 2HD ARG 13 -14.539 -9.348 0.157 69 HE ARG 13 HE ARG 13 -13.872 -11.994 0.622 70 HH11 ARG 13 1HH1 ARG 13 -16.623 -10.197 -0.528 71 HH12 ARG 13 2HH1 ARG 13 -17.197 -11.476 -1.547 72 HH21 ARG 13 1HH2 ARG 13 -14.617 -13.685 -0.716 73 HH22 ARG 13 2HH2 ARG 13 -16.056 -13.459 -1.652 74 H LEU 14 H LEU 14 -10.554 -6.256 1.873 75 HA LEU 14 HA LEU 14 -8.424 -7.058 0.132 76 HB2 LEU 14 1HB LEU 14 -8.998 -4.370 1.368 77 HB3 LEU 14 2HB LEU 14 -7.882 -4.681 0.041 78 HG LEU 14 HG LEU 14 -10.875 -5.058 -0.066 79 HD11 LEU 14 1HD1 LEU 14 -10.764 -2.797 -0.155 80 HD12 LEU 14 2HD1 LEU 14 -10.381 -3.134 -1.843 81 HD13 LEU 14 3HD1 LEU 14 -9.086 -2.787 -0.698 82 HD21 LEU 14 1HD2 LEU 14 -8.712 -5.964 -1.755 83 HD22 LEU 14 2HD2 LEU 14 -9.813 -4.900 -2.631 84 HD23 LEU 14 3HD2 LEU 14 -10.433 -6.343 -1.827 85 H THR 15 H THR 15 -6.290 -7.258 0.550 86 HA THR 15 HA THR 15 -5.223 -6.391 3.122 87 HB THR 15 HB THR 15 -5.942 -8.655 3.614 88 HG1 THR 15 1HG THR 15 -3.896 -9.470 4.237 89 HG21 THR 15 1HG2 THR 15 -4.072 -9.867 1.653 90 HG22 THR 15 2HG2 THR 15 -5.605 -9.251 1.036 91 HG23 THR 15 3HG2 THR 15 -5.593 -10.483 2.297 92 H VAL 16 H VAL 16 -2.833 -6.642 3.218 93 HA VAL 16 HA VAL 16 -1.576 -6.701 0.563 94 HB VAL 16 HB VAL 16 -1.052 -4.590 2.660 95 HG11 VAL 16 1HG1 VAL 16 0.460 -3.609 1.020 96 HG12 VAL 16 2HG1 VAL 16 0.966 -5.248 1.436 97 HG13 VAL 16 3HG1 VAL 16 0.137 -4.940 -0.091 98 HG21 VAL 16 1HG2 VAL 16 -2.754 -3.503 1.726 99 HG22 VAL 16 2HG2 VAL 16 -1.791 -3.394 0.253 100 HG23 VAL 16 3HG2 VAL 16 -2.925 -4.727 0.468 101 H THR 17 H THR 17 0.322 -7.756 0.482 102 HA THR 17 HA THR 17 1.606 -8.483 3.033 103 HB THR 17 HB THR 17 1.313 -10.263 0.605 104 HG1 THR 17 1HG THR 17 0.047 -11.517 2.145 105 HG21 THR 17 1HG2 THR 17 2.175 -11.517 3.075 106 HG22 THR 17 2HG2 THR 17 3.309 -10.278 2.538 107 HG23 THR 17 3HG2 THR 17 2.880 -11.607 1.461 108 H SER 18 H SER 18 2.281 -8.749 -0.463 109 HA SER 18 HA SER 18 4.946 -8.779 -0.563 110 HB2 SER 18 1HB SER 18 3.511 -8.633 -2.565 111 HB3 SER 18 2HB SER 18 3.253 -6.918 -2.249 112 HG SER 18 HG SER 18 5.326 -6.495 -2.765 113 H LEU 19 H LEU 19 3.035 -5.883 0.119 114 HA LEU 19 HA LEU 19 4.886 -3.897 0.086 115 HB2 LEU 19 1HB LEU 19 2.620 -3.422 0.650 116 HB3 LEU 19 2HB LEU 19 2.715 -4.413 2.105 117 HG LEU 19 HG LEU 19 4.394 -2.732 2.981 118 HD11 LEU 19 1HD1 LEU 19 4.129 -1.721 0.362 119 HD12 LEU 19 2HD1 LEU 19 5.086 -1.069 1.692 120 HD13 LEU 19 3HD1 LEU 19 3.425 -0.527 1.453 121 HD21 LEU 19 1HD2 LEU 19 1.521 -2.019 2.456 122 HD22 LEU 19 2HD2 LEU 19 2.573 -1.037 3.476 123 HD23 LEU 19 3HD2 LEU 19 2.231 -2.711 3.915 124 H GLN 20 H GLN 20 6.419 -3.034 1.490 125 HA GLN 20 HA GLN 20 7.304 -4.831 3.651 126 HB2 GLN 20 1HB GLN 20 8.722 -4.599 1.449 127 HB3 GLN 20 2HB GLN 20 9.243 -3.088 2.183 128 HG2 GLN 20 1HG GLN 20 10.870 -4.504 2.923 129 HG3 GLN 20 2HG GLN 20 9.721 -4.605 4.256 130 HE21 GLN 20 1HE2 GLN 20 9.887 -6.112 1.048 131 HE22 GLN 20 2HE2 GLN 20 9.762 -7.739 1.617 132 H GLU 21 H GLU 21 6.351 -3.713 5.321 133 HA GLU 21 HA GLU 21 6.181 -0.985 5.684 134 HB2 GLU 21 1HB GLU 21 6.580 -3.108 7.799 135 HB3 GLU 21 2HB GLU 21 6.029 -1.467 8.108 136 HG2 GLU 21 1HG GLU 21 4.127 -2.003 6.481 137 HG3 GLU 21 2HG GLU 21 4.605 -3.687 6.691 138 H THR 22 H THR 22 8.855 -3.150 6.474 139 HA THR 22 HA THR 22 10.539 -0.776 6.934 140 HB THR 22 HB THR 22 11.870 -2.077 8.542 141 HG1 THR 22 1HG THR 22 10.689 -4.070 9.310 142 HG21 THR 22 1HG2 THR 22 10.078 -0.665 9.398 143 HG22 THR 22 2HG2 THR 22 10.225 -2.127 10.375 144 HG23 THR 22 3HG2 THR 22 8.923 -1.981 9.196 145 H GLY 23 H GLY 23 12.335 -0.642 5.731 146 HA2 GLY 23 1HA GLY 23 14.292 -2.026 4.915 147 HA3 GLY 23 2HA GLY 23 13.068 -3.014 4.133 148 H LEU 24 H LEU 24 11.481 -0.525 3.546 149 HA LEU 24 HA LEU 24 12.500 -0.071 0.943 150 HB2 LEU 24 1HB LEU 24 10.465 1.547 2.468 151 HB3 LEU 24 2HB LEU 24 10.715 1.558 0.724 152 HG LEU 24 HG LEU 24 9.668 -0.752 2.359 153 HD11 LEU 24 1HD1 LEU 24 8.206 1.325 1.886 154 HD12 LEU 24 2HD1 LEU 24 7.556 -0.276 1.533 155 HD13 LEU 24 3HD1 LEU 24 8.182 0.729 0.226 156 HD21 LEU 24 1HD2 LEU 24 10.587 -1.926 0.663 157 HD22 LEU 24 2HD2 LEU 24 10.662 -0.529 -0.411 158 HD23 LEU 24 3HD2 LEU 24 9.140 -1.396 -0.195 159 H LYS 25 H LYS 25 14.168 1.152 0.401 160 HA LYS 25 HA LYS 25 15.224 3.128 2.224 161 HB2 LYS 25 1HB LYS 25 16.109 1.916 -0.359 162 HB3 LYS 25 2HB LYS 25 16.816 3.447 0.141 163 HG2 LYS 25 1HG LYS 25 17.589 2.447 2.209 164 HG3 LYS 25 2HG LYS 25 16.821 0.917 1.776 165 HD2 LYS 25 1HD LYS 25 18.283 0.717 -0.164 166 HD3 LYS 25 2HD LYS 25 19.027 2.270 0.221 167 HE2 LYS 25 1HE LYS 25 19.732 1.306 2.411 168 HE3 LYS 25 2HE LYS 25 19.125 -0.256 1.864 169 HZ1 LYS 25 1HZ LYS 25 21.265 -0.463 1.213 170 HZ2 LYS 25 2HZ LYS 25 21.511 1.201 1.042 171 HZ3 LYS 25 3HZ LYS 25 20.697 0.338 -0.165 172 H VAL 26 H VAL 26 16.010 5.256 1.137 173 HA VAL 26 HA VAL 26 13.663 6.672 0.317 174 HB VAL 26 HB VAL 26 15.559 7.597 1.746 175 HG11 VAL 26 1HG1 VAL 26 17.443 6.933 0.408 176 HG12 VAL 26 2HG1 VAL 26 16.837 7.849 -0.974 177 HG13 VAL 26 3HG1 VAL 26 17.387 8.694 0.474 178 HG21 VAL 26 1HG2 VAL 26 13.719 8.820 0.128 179 HG22 VAL 26 2HG2 VAL 26 14.720 9.632 1.332 180 HG23 VAL 26 3HG2 VAL 26 15.226 9.597 -0.357 181 H ASN 27 H ASN 27 13.124 7.487 -1.657 182 HA ASN 27 HA ASN 27 13.018 7.643 -3.923 183 HB2 ASN 27 1HB ASN 27 16.032 7.481 -3.923 184 HB3 ASN 27 2HB ASN 27 14.991 8.293 -5.088 185 HD21 ASN 27 1HD2 ASN 27 13.265 9.394 -3.009 186 HD22 ASN 27 2HD2 ASN 27 14.153 10.690 -2.291 187 H GLN 28 H GLN 28 13.131 4.993 -2.605 188 HA GLN 28 HA GLN 28 14.331 3.346 -4.710 189 HB2 GLN 28 1HB GLN 28 14.563 3.007 -2.093 190 HB3 GLN 28 2HB GLN 28 13.034 2.161 -2.298 191 HG2 GLN 28 1HG GLN 28 14.008 0.593 -3.794 192 HG3 GLN 28 2HG GLN 28 15.501 1.526 -3.892 193 HE21 GLN 28 1HE2 GLN 28 17.110 0.850 -2.679 194 HE22 GLN 28 2HE2 GLN 28 16.977 -0.121 -1.257 195 HA PRO 29 HA PRO 29 10.408 2.606 -6.577 196 HB2 PRO 29 1HB PRO 29 11.033 0.337 -7.931 197 HB3 PRO 29 2HB PRO 29 11.592 1.938 -8.429 198 HG2 PRO 29 1HG PRO 29 13.045 -0.184 -6.897 199 HG3 PRO 29 2HG PRO 29 13.633 0.843 -8.217 200 HD2 PRO 29 1HD PRO 29 14.190 1.352 -5.617 201 HD3 PRO 29 2HD PRO 29 14.001 2.641 -6.823 202 H ALA 30 H ALA 30 9.290 2.140 -4.587 203 HA ALA 30 HA ALA 30 9.206 -0.654 -3.743 204 HB1 ALA 30 1HB ALA 30 7.714 0.247 -1.930 205 HB2 ALA 30 2HB ALA 30 9.361 0.878 -1.938 206 HB3 ALA 30 3HB ALA 30 8.038 1.859 -2.569 207 H SER 31 H SER 31 7.586 -2.013 -4.204 208 HA SER 31 HA SER 31 4.989 -1.006 -5.030 209 HB2 SER 31 1HB SER 31 4.994 -2.370 -7.115 210 HB3 SER 31 2HB SER 31 6.167 -1.053 -7.154 211 HG SER 31 HG SER 31 7.677 -2.482 -7.387 212 H PHE 32 H PHE 32 3.328 -2.523 -4.847 213 HA PHE 32 HA PHE 32 3.971 -5.240 -4.046 214 HB2 PHE 32 1HB PHE 32 2.320 -4.858 -2.034 215 HB3 PHE 32 2HB PHE 32 4.028 -4.462 -1.871 216 HD1 PHE 32 2HD PHE 32 4.725 -2.043 -2.256 217 HD2 PHE 32 1HD PHE 32 0.684 -3.247 -1.671 218 HE1 PHE 32 2HE PHE 32 4.130 0.264 -1.641 219 HE2 PHE 32 1HE PHE 32 0.083 -0.942 -1.056 220 HZ PHE 32 HZ PHE 32 1.807 0.817 -1.039 221 H ALA 33 H ALA 33 1.816 -6.424 -3.501 222 HA ALA 33 HA ALA 33 -0.194 -5.556 -5.475 223 HB1 ALA 33 1HB ALA 33 1.050 -7.627 -6.063 224 HB2 ALA 33 2HB ALA 33 0.380 -8.388 -4.619 225 HB3 ALA 33 3HB ALA 33 -0.692 -7.859 -5.916 226 H VAL 34 H VAL 34 -2.331 -5.554 -4.914 227 HA VAL 34 HA VAL 34 -2.915 -6.036 -2.069 228 HB VAL 34 HB VAL 34 -4.363 -4.259 -4.038 229 HG11 VAL 34 1HG1 VAL 34 -6.060 -4.841 -2.615 230 HG12 VAL 34 2HG1 VAL 34 -4.972 -5.123 -1.254 231 HG13 VAL 34 3HG1 VAL 34 -5.372 -3.474 -1.739 232 HG21 VAL 34 1HG2 VAL 34 -2.087 -3.829 -2.327 233 HG22 VAL 34 2HG2 VAL 34 -2.813 -2.750 -3.518 234 HG23 VAL 34 3HG2 VAL 34 -3.424 -2.777 -1.864 235 H GLN 35 H GLN 35 -3.816 -7.972 -1.787 236 HA GLN 35 HA GLN 35 -5.297 -9.320 -3.822 237 HB2 GLN 35 1HB GLN 35 -3.943 -10.495 -2.103 238 HB3 GLN 35 2HB GLN 35 -5.091 -9.972 -0.877 239 HG2 GLN 35 1HG GLN 35 -6.748 -11.387 -1.631 240 HG3 GLN 35 2HG GLN 35 -6.048 -11.515 -3.243 241 HE21 GLN 35 1HE2 GLN 35 -5.471 -13.534 -3.583 242 HE22 GLN 35 2HE2 GLN 35 -4.630 -14.555 -2.471 243 H LEU 36 H LEU 36 -7.488 -9.723 -3.957 244 HA LEU 36 HA LEU 36 -9.178 -7.840 -2.479 245 HB2 LEU 36 1HB LEU 36 -10.114 -9.515 -4.772 246 HB3 LEU 36 2HB LEU 36 -10.706 -7.948 -4.224 247 HG LEU 36 HG LEU 36 -7.969 -8.221 -5.417 248 HD11 LEU 36 1HD1 LEU 36 -8.801 -7.889 -7.601 249 HD12 LEU 36 2HD1 LEU 36 -10.445 -7.635 -7.018 250 HD13 LEU 36 3HD1 LEU 36 -9.717 -9.239 -6.930 251 HD21 LEU 36 1HD2 LEU 36 -7.984 -5.966 -5.498 252 HD22 LEU 36 2HD2 LEU 36 -9.168 -6.142 -4.203 253 HD23 LEU 36 3HD2 LEU 36 -9.708 -5.881 -5.862 254 H ASN 37 H ASN 37 -8.594 -11.233 -2.958 255 HA ASN 37 HA ASN 37 -9.481 -13.112 -2.027 256 HB2 ASN 37 1HB ASN 37 -10.059 -11.087 0.136 257 HB3 ASN 37 2HB ASN 37 -10.369 -12.809 0.335 258 HD21 ASN 37 1HD2 ASN 37 -8.236 -10.458 1.002 259 HD22 ASN 37 2HD2 ASN 37 -6.782 -11.384 1.115 260 H GLY 38 H GLY 38 -11.162 -11.599 -3.838 261 HA2 GLY 38 1HA GLY 38 -13.287 -12.309 -4.636 262 HA3 GLY 38 2HA GLY 38 -13.743 -12.706 -2.986 263 H ALA 39 H ALA 39 -12.332 -9.702 -4.225 264 HA ALA 39 HA ALA 39 -14.861 -8.327 -3.629 265 HB1 ALA 39 1HB ALA 39 -13.709 -6.537 -2.502 266 HB2 ALA 39 2HB ALA 39 -13.302 -8.067 -1.723 267 HB3 ALA 39 3HB ALA 39 -12.148 -7.297 -2.812 268 H ARG 40 H ARG 40 -15.486 -6.915 -5.147 269 HA ARG 40 HA ARG 40 -13.582 -6.308 -7.306 270 HB2 ARG 40 1HB ARG 40 -16.510 -6.824 -7.235 271 HB3 ARG 40 2HB ARG 40 -15.927 -5.659 -8.416 272 HG2 ARG 40 1HG ARG 40 -16.113 -7.913 -9.348 273 HG3 ARG 40 2HG ARG 40 -14.451 -7.320 -9.374 274 HD2 ARG 40 1HD ARG 40 -14.131 -9.444 -8.572 275 HD3 ARG 40 2HD ARG 40 -14.310 -8.550 -7.063 276 HE ARG 40 HE ARG 40 -16.166 -9.794 -6.638 277 HH11 ARG 40 1HH1 ARG 40 -15.626 -9.772 -10.077 278 HH12 ARG 40 2HH1 ARG 40 -16.934 -10.854 -10.421 279 HH21 ARG 40 1HH2 ARG 40 -17.891 -11.220 -7.078 280 HH22 ARG 40 2HH2 ARG 40 -18.223 -11.676 -8.715 281 H GLY 41 H GLY 41 -13.451 -4.202 -8.148 282 HA2 GLY 41 1HA GLY 41 -14.853 -1.963 -7.714 283 HA3 GLY 41 2HA GLY 41 -14.011 -2.138 -6.182 284 H VAL 42 H VAL 42 -13.233 0.044 -6.977 285 HA VAL 42 HA VAL 42 -10.941 -0.264 -8.800 286 HB VAL 42 HB VAL 42 -12.414 2.251 -8.002 287 HG11 VAL 42 1HG1 VAL 42 -10.959 3.487 -9.321 288 HG12 VAL 42 2HG1 VAL 42 -9.880 2.347 -8.514 289 HG13 VAL 42 3HG1 VAL 42 -10.374 2.065 -10.184 290 HG21 VAL 42 1HG2 VAL 42 -12.563 0.432 -10.356 291 HG22 VAL 42 2HG2 VAL 42 -13.854 1.272 -9.497 292 HG23 VAL 42 3HG2 VAL 42 -12.805 2.161 -10.601 293 H ILE 43 H ILE 43 -8.999 -0.309 -7.901 294 HA ILE 43 HA ILE 43 -8.650 0.505 -5.137 295 HB ILE 43 HB ILE 43 -6.743 -0.789 -7.086 296 HG12 ILE 43 1HG1 ILE 43 -8.791 -2.034 -6.051 297 HG13 ILE 43 2HG1 ILE 43 -7.213 -2.815 -6.045 298 HG21 ILE 43 1HG2 ILE 43 -5.551 0.622 -5.472 299 HG22 ILE 43 2HG2 ILE 43 -6.349 -0.229 -4.150 300 HG23 ILE 43 3HG2 ILE 43 -5.233 -1.093 -5.207 301 HD11 ILE 43 1HD1 ILE 43 -6.898 -2.375 -3.756 302 HD12 ILE 43 2HD1 ILE 43 -8.246 -1.238 -3.711 303 HD13 ILE 43 3HD1 ILE 43 -8.553 -2.962 -3.918 304 H ASP 44 H ASP 44 -8.221 2.558 -4.693 305 HA ASP 44 HA ASP 44 -6.637 4.128 -6.609 306 HB2 ASP 44 1HB ASP 44 -8.713 4.871 -4.572 307 HB3 ASP 44 2HB ASP 44 -7.545 6.070 -5.124 308 H ALA 45 H ALA 45 -4.558 4.292 -6.120 309 HA ALA 45 HA ALA 45 -3.761 4.283 -3.286 310 HB1 ALA 45 1HB ALA 45 -2.730 2.931 -5.596 311 HB2 ALA 45 2HB ALA 45 -1.480 3.950 -4.882 312 HB3 ALA 45 3HB ALA 45 -2.295 2.735 -3.898 313 H ARG 46 H ARG 46 -2.741 5.997 -2.427 314 HA ARG 46 HA ARG 46 -1.458 7.970 -4.123 315 HB2 ARG 46 1HB ARG 46 -3.956 8.522 -2.546 316 HB3 ARG 46 2HB ARG 46 -2.793 9.801 -2.869 317 HG2 ARG 46 1HG ARG 46 -3.056 8.970 -5.347 318 HG3 ARG 46 2HG ARG 46 -4.595 8.356 -4.739 319 HD2 ARG 46 1HD ARG 46 -4.768 10.784 -3.726 320 HD3 ARG 46 2HD ARG 46 -3.642 11.161 -5.029 321 HE ARG 46 HE ARG 46 -5.707 9.717 -6.168 322 HH11 ARG 46 1HH1 ARG 46 -5.315 12.734 -4.475 323 HH12 ARG 46 2HH1 ARG 46 -6.640 13.507 -5.280 324 HH21 ARG 46 1HH2 ARG 46 -7.454 10.724 -7.234 325 HH22 ARG 46 2HH2 ARG 46 -7.856 12.363 -6.849 326 H VAL 47 H VAL 47 0.402 8.454 -3.179 327 HA VAL 47 HA VAL 47 0.708 8.023 -0.304 328 HB VAL 47 HB VAL 47 3.156 8.373 -0.792 329 HG11 VAL 47 1HG1 VAL 47 1.451 6.150 -1.496 330 HG12 VAL 47 2HG1 VAL 47 2.923 6.167 -2.469 331 HG13 VAL 47 3HG1 VAL 47 3.028 6.153 -0.708 332 HG21 VAL 47 1HG2 VAL 47 2.351 8.094 -3.677 333 HG22 VAL 47 2HG2 VAL 47 2.688 9.653 -2.925 334 HG23 VAL 47 3HG2 VAL 47 3.953 8.428 -3.019 335 H HIS 48 H HIS 48 1.214 9.605 1.134 336 HA HIS 48 HA HIS 48 1.195 12.363 0.104 337 HB2 HIS 48 1HB HIS 48 0.299 11.248 2.766 338 HB3 HIS 48 2HB HIS 48 0.434 12.971 2.428 339 HD1 HIS 48 1HD HIS 48 -1.577 14.057 1.451 340 HD2 HIS 48 2HD HIS 48 -1.657 9.927 1.007 341 HE1 HIS 48 1HE HIS 48 -3.835 13.528 0.480 342 HE2 HIS 48 2HE HIS 48 -3.893 11.017 0.300 343 H THR 49 H THR 49 3.027 13.462 0.248 344 HA THR 49 HA THR 49 5.304 12.400 1.614 345 HB THR 49 HB THR 49 6.405 14.553 0.903 346 HG1 THR 49 1HG THR 49 5.243 16.064 -0.089 347 HG21 THR 49 1HG2 THR 49 6.858 12.942 -0.647 348 HG22 THR 49 2HG2 THR 49 5.875 14.006 -1.654 349 HG23 THR 49 3HG2 THR 49 5.156 12.573 -0.920 350 HA PRO 50 HA PRO 50 4.894 14.346 5.536 351 HB2 PRO 50 1HB PRO 50 7.510 14.560 6.230 352 HB3 PRO 50 2HB PRO 50 6.641 13.020 6.220 353 HG2 PRO 50 1HG PRO 50 8.488 14.166 4.162 354 HG3 PRO 50 2HG PRO 50 8.392 12.506 4.780 355 HD2 PRO 50 1HD PRO 50 7.306 13.243 2.412 356 HD3 PRO 50 2HD PRO 50 6.601 11.973 3.432 357 H SER 51 H SER 51 6.303 15.870 2.866 358 HA SER 51 HA SER 51 7.043 18.308 4.239 359 HB2 SER 51 1HB SER 51 6.947 17.583 1.304 360 HB3 SER 51 2HB SER 51 7.483 19.149 1.914 361 HG SER 51 HG SER 51 8.996 17.125 1.552 362 H GLY 52 H GLY 52 4.523 17.259 1.964 363 HA2 GLY 52 1HA GLY 52 2.272 18.226 2.729 364 HA3 GLY 52 2HA GLY 52 3.080 19.770 2.504 365 H ALA 53 H ALA 53 3.638 17.030 0.406 366 HA ALA 53 HA ALA 53 2.091 18.383 -1.707 367 HB1 ALA 53 1HB ALA 53 4.863 17.252 -1.809 368 HB2 ALA 53 2HB ALA 53 3.884 17.393 -3.269 369 HB3 ALA 53 3HB ALA 53 4.285 18.834 -2.334 370 H VAL 54 H VAL 54 0.595 17.156 -2.644 371 HA VAL 54 HA VAL 54 0.326 14.387 -1.921 372 HB VAL 54 HB VAL 54 -1.296 16.024 -3.875 373 HG11 VAL 54 1HG1 VAL 54 -1.280 13.383 -3.855 374 HG12 VAL 54 2HG1 VAL 54 -2.356 13.623 -2.477 375 HG13 VAL 54 3HG1 VAL 54 -2.777 14.293 -4.054 376 HG21 VAL 54 1HG2 VAL 54 -1.835 17.107 -1.964 377 HG22 VAL 54 2HG2 VAL 54 -2.898 15.718 -1.741 378 HG23 VAL 54 3HG2 VAL 54 -1.332 15.768 -0.933 379 H GLU 55 H GLU 55 1.398 12.812 -2.900 380 HA GLU 55 HA GLU 55 2.276 13.176 -5.672 381 HB2 GLU 55 1HB GLU 55 3.218 11.540 -3.372 382 HB3 GLU 55 2HB GLU 55 3.474 10.893 -4.986 383 HG2 GLU 55 1HG GLU 55 4.706 12.880 -5.618 384 HG3 GLU 55 2HG GLU 55 4.400 13.594 -4.036 385 H GLU 56 H GLU 56 2.056 11.421 -7.196 386 HA GLU 56 HA GLU 56 -0.413 9.890 -6.740 387 HB2 GLU 56 1HB GLU 56 0.897 10.836 -9.290 388 HB3 GLU 56 2HB GLU 56 -0.467 9.727 -9.255 389 HG2 GLU 56 1HG GLU 56 -1.504 11.745 -9.595 390 HG3 GLU 56 2HG GLU 56 -1.610 11.575 -7.844 391 H CYS 57 H CYS 57 -0.507 7.703 -7.202 392 HA CYS 57 HA CYS 57 2.105 6.376 -7.384 393 HB2 CYS 57 1HB CYS 57 -0.538 5.185 -6.524 394 HB3 CYS 57 2HB CYS 57 1.051 4.444 -6.380 395 HG CYS 57 HG CYS 57 -0.211 5.510 -3.919 396 H TYR 58 H TYR 58 1.587 3.944 -8.291 397 HA TYR 58 HA TYR 58 0.329 4.359 -10.924 398 HB2 TYR 58 1HB TYR 58 2.689 4.242 -11.282 399 HB3 TYR 58 2HB TYR 58 2.847 2.853 -10.213 400 HD1 TYR 58 2HD TYR 58 0.237 3.288 -12.801 401 HD2 TYR 58 1HD TYR 58 3.852 1.323 -11.717 402 HE1 TYR 58 2HE TYR 58 -0.010 1.782 -14.730 403 HE2 TYR 58 1HE TYR 58 3.615 -0.188 -13.643 404 HH TYR 58 HH TYR 58 2.094 -0.969 -15.195 405 H VAL 59 H VAL 59 -1.606 3.380 -10.618 406 HA VAL 59 HA VAL 59 -1.538 0.516 -9.936 407 HB VAL 59 HB VAL 59 -2.475 1.533 -8.006 408 HG11 VAL 59 1HG1 VAL 59 -2.942 3.727 -9.097 409 HG12 VAL 59 2HG1 VAL 59 -4.415 3.024 -9.766 410 HG13 VAL 59 3HG1 VAL 59 -4.221 3.170 -8.019 411 HG21 VAL 59 1HG2 VAL 59 -3.946 -0.205 -9.642 412 HG22 VAL 59 2HG2 VAL 59 -4.098 0.016 -7.899 413 HG23 VAL 59 3HG2 VAL 59 -5.107 0.956 -8.998 414 H SER 60 H SER 60 -2.061 -0.572 -11.709 415 HA SER 60 HA SER 60 -3.571 0.597 -13.845 416 HB2 SER 60 1HB SER 60 -1.689 -1.261 -13.882 417 HB3 SER 60 2HB SER 60 -3.066 -2.348 -13.699 418 HG SER 60 HG SER 60 -3.583 -1.990 -15.700 419 H GLU 61 H GLU 61 -5.303 -1.071 -14.838 420 HA GLU 61 HA GLU 61 -7.474 -1.036 -12.943 421 HB2 GLU 61 1HB GLU 61 -7.445 -2.058 -15.788 422 HB3 GLU 61 2HB GLU 61 -8.869 -1.702 -14.821 423 HG2 GLU 61 1HG GLU 61 -6.814 0.328 -15.665 424 HG3 GLU 61 2HG GLU 61 -8.352 0.044 -16.479 425 H LEU 62 H LEU 62 -8.978 -2.982 -12.877 426 HA LEU 62 HA LEU 62 -7.691 -5.126 -11.653 427 HB2 LEU 62 1HB LEU 62 -10.017 -4.613 -11.243 428 HB3 LEU 62 2HB LEU 62 -10.424 -4.989 -12.916 429 HG LEU 62 HG LEU 62 -9.634 -7.363 -12.393 430 HD11 LEU 62 1HD1 LEU 62 -10.148 -7.727 -9.814 431 HD12 LEU 62 2HD1 LEU 62 -9.498 -6.091 -9.719 432 HD13 LEU 62 3HD1 LEU 62 -8.524 -7.388 -10.412 433 HD21 LEU 62 1HD2 LEU 62 -12.118 -5.997 -11.606 434 HD22 LEU 62 2HD2 LEU 62 -11.868 -7.588 -10.887 435 HD23 LEU 62 3HD2 LEU 62 -11.871 -7.403 -12.642 436 H ASP 63 H ASP 63 -6.474 -6.676 -12.484 437 HA ASP 63 HA ASP 63 -6.972 -7.523 -15.263 438 HB2 ASP 63 1HB ASP 63 -4.821 -6.540 -15.218 439 HB3 ASP 63 2HB ASP 63 -4.413 -7.310 -13.688 440 H SER 64 H SER 64 -5.511 -8.775 -12.256 441 HA SER 64 HA SER 64 -6.950 -11.300 -12.717 442 HB2 SER 64 1HB SER 64 -4.760 -11.881 -13.358 443 HB3 SER 64 2HB SER 64 -4.032 -10.906 -12.082 444 HG SER 64 HG SER 64 -4.129 -12.580 -10.834 445 H ASP 65 H ASP 65 -8.317 -9.895 -11.168 446 HA ASP 65 HA ASP 65 -9.089 -9.418 -9.068 447 HB2 ASP 65 1HB ASP 65 -7.860 -12.132 -8.536 448 HB3 ASP 65 2HB ASP 65 -9.080 -11.345 -7.539 449 H LYS 66 H LYS 66 -6.462 -8.386 -9.629 450 HA LYS 66 HA LYS 66 -5.635 -7.852 -6.913 451 HB2 LYS 66 1HB LYS 66 -3.905 -9.365 -8.847 452 HB3 LYS 66 2HB LYS 66 -3.183 -8.343 -7.611 453 HG2 LYS 66 1HG LYS 66 -4.691 -9.689 -5.983 454 HG3 LYS 66 2HG LYS 66 -4.756 -10.861 -7.301 455 HD2 LYS 66 1HD LYS 66 -2.149 -9.766 -6.288 456 HD3 LYS 66 2HD LYS 66 -2.928 -11.157 -5.530 457 HE2 LYS 66 1HE LYS 66 -2.966 -12.251 -7.780 458 HE3 LYS 66 2HE LYS 66 -1.998 -10.908 -8.387 459 HZ1 LYS 66 1HZ LYS 66 -0.556 -11.637 -6.279 460 HZ2 LYS 66 2HZ LYS 66 -0.314 -12.268 -7.829 461 HZ3 LYS 66 3HZ LYS 66 -1.221 -13.136 -6.695 462 H HIS 67 H HIS 67 -3.797 -6.221 -6.899 463 HA HIS 67 HA HIS 67 -3.694 -4.580 -9.314 464 HB2 HIS 67 1HB HIS 67 -4.570 -3.549 -6.609 465 HB3 HIS 67 2HB HIS 67 -4.174 -2.527 -7.988 466 HD1 HIS 67 1HD HIS 67 -6.070 -1.943 -9.474 467 HD2 HIS 67 2HD HIS 67 -6.863 -5.326 -7.197 468 HE1 HIS 67 1HE HIS 67 -8.463 -2.540 -9.967 469 HE2 HIS 67 2HE HIS 67 -8.945 -4.539 -8.513 470 H THR 68 H THR 68 -1.723 -3.769 -9.670 471 HA THR 68 HA THR 68 0.292 -4.110 -7.567 472 HB THR 68 HB THR 68 0.721 -3.588 -10.515 473 HG1 THR 68 1HG THR 68 0.083 -5.628 -10.576 474 HG21 THR 68 1HG2 THR 68 2.489 -3.684 -8.208 475 HG22 THR 68 2HG2 THR 68 2.809 -3.130 -9.852 476 HG23 THR 68 3HG2 THR 68 2.949 -4.843 -9.454 477 H ILE 69 H ILE 69 1.126 -2.413 -6.544 478 HA ILE 69 HA ILE 69 0.639 0.266 -7.664 479 HB ILE 69 HB ILE 69 1.401 -0.102 -4.807 480 HG12 ILE 69 1HG1 ILE 69 -0.377 -1.790 -5.249 481 HG13 ILE 69 2HG1 ILE 69 -0.886 -0.524 -4.136 482 HG21 ILE 69 1HG2 ILE 69 0.453 1.987 -6.492 483 HG22 ILE 69 2HG2 ILE 69 -0.731 1.710 -5.215 484 HG23 ILE 69 3HG2 ILE 69 0.945 2.069 -4.801 485 HD11 ILE 69 1HD1 ILE 69 -2.570 0.050 -5.453 486 HD12 ILE 69 2HD1 ILE 69 -1.516 0.165 -6.864 487 HD13 ILE 69 3HD1 ILE 69 -2.213 -1.390 -6.408 488 H ARG 70 H ARG 70 2.289 1.759 -7.777 489 HA ARG 70 HA ARG 70 4.951 0.994 -6.864 490 HB2 ARG 70 1HB ARG 70 4.475 0.236 -9.309 491 HB3 ARG 70 2HB ARG 70 4.639 1.945 -9.693 492 HG2 ARG 70 1HG ARG 70 6.881 1.984 -9.197 493 HG3 ARG 70 2HG ARG 70 6.772 0.600 -8.107 494 HD2 ARG 70 1HD ARG 70 7.892 -0.191 -10.022 495 HD3 ARG 70 2HD ARG 70 6.240 -0.790 -10.159 496 HE ARG 70 HE ARG 70 5.992 0.459 -12.055 497 HH11 ARG 70 1HH1 ARG 70 8.732 1.653 -10.270 498 HH12 ARG 70 2HH1 ARG 70 9.225 2.757 -11.511 499 HH21 ARG 70 1HH2 ARG 70 6.631 1.908 -13.697 500 HH22 ARG 70 2HH2 ARG 70 8.029 2.901 -13.459 501 H PHE 71 H PHE 71 5.857 2.675 -5.893 502 HA PHE 71 HA PHE 71 5.655 5.337 -6.982 503 HB2 PHE 71 1HB PHE 71 4.811 6.271 -4.771 504 HB3 PHE 71 2HB PHE 71 3.622 5.434 -5.763 505 HD1 PHE 71 1HD PHE 71 5.987 4.844 -2.950 506 HD2 PHE 71 2HD PHE 71 2.314 3.782 -4.820 507 HE1 PHE 71 1HE PHE 71 5.451 3.372 -1.053 508 HE2 PHE 71 2HE PHE 71 1.772 2.309 -2.926 509 HZ PHE 71 HZ PHE 71 3.341 2.102 -1.039 510 H ILE 72 H ILE 72 7.312 6.655 -6.328 511 HA ILE 72 HA ILE 72 9.244 5.453 -4.454 512 HB ILE 72 HB ILE 72 9.725 7.190 -6.872 513 HG12 ILE 72 1HG1 ILE 72 10.927 4.504 -6.222 514 HG13 ILE 72 2HG1 ILE 72 9.385 4.652 -7.057 515 HG21 ILE 72 1HG2 ILE 72 11.710 6.294 -4.786 516 HG22 ILE 72 2HG2 ILE 72 12.101 7.125 -6.291 517 HG23 ILE 72 3HG2 ILE 72 11.156 7.947 -5.051 518 HD11 ILE 72 1HD1 ILE 72 10.383 5.680 -8.921 519 HD12 ILE 72 2HD1 ILE 72 11.893 5.961 -8.054 520 HD13 ILE 72 3HD1 ILE 72 11.424 4.321 -8.499 521 HA PRO 73 HA PRO 73 8.391 9.012 -1.931 522 HB2 PRO 73 1HB PRO 73 10.270 8.490 -0.042 523 HB3 PRO 73 2HB PRO 73 8.734 7.620 -0.135 524 HG2 PRO 73 1HG PRO 73 11.438 6.798 -1.120 525 HG3 PRO 73 2HG PRO 73 10.219 5.835 -0.267 526 HD2 PRO 73 1HD PRO 73 10.572 5.693 -2.948 527 HD3 PRO 73 2HD PRO 73 8.987 5.468 -2.180 528 H HIS 74 H HIS 74 9.632 10.844 -1.013 529 HA HIS 74 HA HIS 74 12.014 11.443 -2.642 530 HB2 HIS 74 1HB HIS 74 9.725 13.196 -1.783 531 HB3 HIS 74 2HB HIS 74 11.277 13.885 -2.248 532 HD1 HIS 74 1HD HIS 74 9.664 10.951 -3.988 533 HD2 HIS 74 2HD HIS 74 10.471 14.974 -4.643 534 HE1 HIS 74 1HE HIS 74 9.107 11.364 -6.405 535 HE2 HIS 74 2HE HIS 74 9.684 13.784 -6.800 536 H GLU 75 H GLU 75 10.403 12.441 0.383 537 HA GLU 75 HA GLU 75 13.069 12.803 1.576 538 HB2 GLU 75 1HB GLU 75 11.909 14.854 1.702 539 HB3 GLU 75 2HB GLU 75 10.404 14.070 2.162 540 HG2 GLU 75 1HG GLU 75 11.307 15.185 4.070 541 HG3 GLU 75 2HG GLU 75 11.436 13.445 4.320 542 H ASN 76 H ASN 76 13.714 11.407 3.072 543 HA ASN 76 HA ASN 76 12.507 9.088 3.780 544 HB2 ASN 76 1HB ASN 76 14.515 10.814 5.154 545 HB3 ASN 76 2HB ASN 76 13.841 9.455 6.050 546 HD21 ASN 76 1HD2 ASN 76 13.573 7.537 4.185 547 HD22 ASN 76 2HD2 ASN 76 15.112 7.104 3.531 548 H GLY 77 H GLY 77 11.392 8.326 5.668 549 HA2 GLY 77 1HA GLY 77 10.351 9.196 7.831 550 HA3 GLY 77 2HA GLY 77 9.590 10.379 6.778 551 H VAL 78 H VAL 78 7.746 9.230 8.041 552 HA VAL 78 HA VAL 78 6.928 6.731 6.776 553 HB VAL 78 HB VAL 78 5.622 8.311 8.997 554 HG11 VAL 78 1HG1 VAL 78 4.662 5.760 9.158 555 HG12 VAL 78 2HG1 VAL 78 3.812 7.120 8.422 556 HG13 VAL 78 3HG1 VAL 78 4.744 6.011 7.415 557 HG21 VAL 78 1HG2 VAL 78 7.556 7.466 9.948 558 HG22 VAL 78 2HG2 VAL 78 6.389 6.186 10.280 559 HG23 VAL 78 3HG2 VAL 78 7.535 6.011 8.951 560 H HIS 79 H HIS 79 5.828 6.821 4.939 561 HA HIS 79 HA HIS 79 4.324 9.212 4.240 562 HB2 HIS 79 1HB HIS 79 5.075 6.726 2.703 563 HB3 HIS 79 2HB HIS 79 4.002 7.960 2.048 564 HD1 HIS 79 1HD HIS 79 7.288 8.368 3.922 565 HD2 HIS 79 2HD HIS 79 5.544 9.288 0.265 566 HE1 HIS 79 1HE HIS 79 8.992 9.750 2.692 567 HE2 HIS 79 2HE HIS 79 7.881 10.366 0.518 568 H SER 80 H SER 80 2.130 9.062 3.409 569 HA SER 80 HA SER 80 0.583 7.013 4.847 570 HB2 SER 80 1HB SER 80 0.110 9.892 4.248 571 HB3 SER 80 2HB SER 80 -1.297 8.829 4.285 572 HG SER 80 HG SER 80 0.147 9.815 6.337 573 H ILE 81 H ILE 81 -0.057 5.414 3.569 574 HA ILE 81 HA ILE 81 -0.513 5.891 0.731 575 HB ILE 81 HB ILE 81 -0.840 3.234 2.090 576 HG12 ILE 81 1HG1 ILE 81 1.349 4.309 2.751 577 HG13 ILE 81 2HG1 ILE 81 1.498 2.780 1.892 578 HG21 ILE 81 1HG2 ILE 81 -1.296 2.674 -0.017 579 HG22 ILE 81 2HG2 ILE 81 -0.751 4.236 -0.626 580 HG23 ILE 81 3HG2 ILE 81 0.413 2.938 -0.362 581 HD11 ILE 81 1HD1 ILE 81 2.505 5.391 1.203 582 HD12 ILE 81 2HD1 ILE 81 2.923 3.808 0.547 583 HD13 ILE 81 3HD1 ILE 81 1.548 4.698 -0.105 584 H ASP 82 H ASP 82 -2.457 6.748 0.310 585 HA ASP 82 HA ASP 82 -4.798 6.001 1.837 586 HB2 ASP 82 1HB ASP 82 -4.194 7.998 -0.302 587 HB3 ASP 82 2HB ASP 82 -5.870 7.525 -0.038 588 H VAL 83 H VAL 83 -5.701 4.090 1.429 589 HA VAL 83 HA VAL 83 -5.918 3.209 -1.374 590 HB VAL 83 HB VAL 83 -6.156 1.447 1.062 591 HG11 VAL 83 1HG1 VAL 83 -6.469 1.070 -1.798 592 HG12 VAL 83 2HG1 VAL 83 -5.284 -0.037 -1.101 593 HG13 VAL 83 3HG1 VAL 83 -6.927 0.014 -0.461 594 HG21 VAL 83 1HG2 VAL 83 -3.729 1.898 -0.673 595 HG22 VAL 83 2HG2 VAL 83 -3.923 2.465 0.986 596 HG23 VAL 83 3HG2 VAL 83 -3.865 0.736 0.647 597 H LYS 84 H LYS 84 -7.877 2.913 -2.250 598 HA LYS 84 HA LYS 84 -10.219 2.807 -0.482 599 HB2 LYS 84 1HB LYS 84 -9.874 4.610 -2.882 600 HB3 LYS 84 2HB LYS 84 -11.418 4.308 -2.096 601 HG2 LYS 84 1HG LYS 84 -10.651 5.323 -0.064 602 HG3 LYS 84 2HG LYS 84 -9.016 5.480 -0.712 603 HD2 LYS 84 1HD LYS 84 -9.578 7.235 -2.075 604 HD3 LYS 84 2HD LYS 84 -11.261 6.723 -2.220 605 HE2 LYS 84 1HE LYS 84 -10.217 7.640 0.423 606 HE3 LYS 84 2HE LYS 84 -10.636 8.832 -0.807 607 HZ1 LYS 84 1HZ LYS 84 -12.618 6.768 -0.352 608 HZ2 LYS 84 2HZ LYS 84 -12.818 8.433 -0.570 609 HZ3 LYS 84 3HZ LYS 84 -12.376 7.826 0.946 610 H PHE 85 H PHE 85 -12.041 1.741 -1.345 611 HA PHE 85 HA PHE 85 -11.616 0.312 -3.875 612 HB2 PHE 85 1HB PHE 85 -11.092 -1.056 -1.732 613 HB3 PHE 85 2HB PHE 85 -12.839 -1.085 -1.512 614 HD1 PHE 85 1HD PHE 85 -10.392 -1.644 -4.278 615 HD2 PHE 85 2HD PHE 85 -13.910 -2.955 -2.274 616 HE1 PHE 85 1HE PHE 85 -10.547 -3.562 -5.812 617 HE2 PHE 85 2HE PHE 85 -14.070 -4.876 -3.804 618 HZ PHE 85 HZ PHE 85 -12.387 -5.181 -5.575 619 H ASN 86 H ASN 86 -13.114 1.581 -4.941 620 HA ASN 86 HA ASN 86 -15.186 2.039 -5.780 621 HB2 ASN 86 1HB ASN 86 -15.563 -0.419 -4.865 622 HB3 ASN 86 2HB ASN 86 -16.569 0.418 -3.687 623 HD21 ASN 86 1HD2 ASN 86 -16.535 -1.048 -6.640 624 HD22 ASN 86 2HD2 ASN 86 -17.979 -0.373 -7.307 625 H GLY 87 H GLY 87 -13.991 3.745 -3.913 626 HA2 GLY 87 1HA GLY 87 -14.572 5.677 -2.799 627 HA3 GLY 87 2HA GLY 87 -16.257 5.288 -3.112 628 H ALA 88 H ALA 88 -13.785 3.478 -1.316 629 HA ALA 88 HA ALA 88 -15.104 4.063 1.204 630 HB1 ALA 88 1HB ALA 88 -14.747 1.170 0.795 631 HB2 ALA 88 2HB ALA 88 -16.030 2.054 1.623 632 HB3 ALA 88 3HB ALA 88 -16.047 1.916 -0.135 633 H HIS 89 H HIS 89 -13.720 4.010 2.892 634 HA HIS 89 HA HIS 89 -10.928 3.606 2.337 635 HB2 HIS 89 1HB HIS 89 -12.535 4.662 4.606 636 HB3 HIS 89 2HB HIS 89 -10.929 4.044 4.977 637 HD1 HIS 89 1HD HIS 89 -8.903 5.284 3.829 638 HD2 HIS 89 2HD HIS 89 -12.599 7.124 3.365 639 HE1 HIS 89 1HE HIS 89 -8.397 7.620 3.048 640 HE2 HIS 89 2HE HIS 89 -10.645 8.741 2.857 641 H ILE 90 H ILE 90 -9.796 1.806 2.631 642 HA ILE 90 HA ILE 90 -11.045 -0.562 3.644 643 HB ILE 90 HB ILE 90 -8.993 -1.701 3.123 644 HG12 ILE 90 1HG1 ILE 90 -7.647 0.863 2.352 645 HG13 ILE 90 2HG1 ILE 90 -7.619 0.342 4.033 646 HG21 ILE 90 1HG2 ILE 90 -9.196 -1.548 0.877 647 HG22 ILE 90 2HG2 ILE 90 -10.563 -0.519 1.299 648 HG23 ILE 90 3HG2 ILE 90 -9.014 0.206 0.870 649 HD11 ILE 90 1HD1 ILE 90 -6.024 -0.540 1.826 650 HD12 ILE 90 2HD1 ILE 90 -5.857 -0.897 3.545 651 HD13 ILE 90 3HD1 ILE 90 -6.894 -1.901 2.532 652 HA PRO 91 HA PRO 91 -9.860 -0.409 7.871 653 HB2 PRO 91 1HB PRO 91 -9.587 -3.057 8.405 654 HB3 PRO 91 2HB PRO 91 -11.157 -2.282 8.166 655 HG2 PRO 91 1HG PRO 91 -9.521 -3.881 6.235 656 HG3 PRO 91 2HG PRO 91 -11.269 -3.934 6.534 657 HD2 PRO 91 1HD PRO 91 -10.189 -2.613 4.431 658 HD3 PRO 91 2HD PRO 91 -11.674 -2.070 5.240 659 H GLY 92 H GLY 92 -7.867 0.502 8.120 660 HA2 GLY 92 1HA GLY 92 -5.707 -0.298 9.147 661 HA3 GLY 92 2HA GLY 92 -5.529 -1.251 7.682 662 H SER 93 H SER 93 -6.816 1.148 6.242 663 HA SER 93 HA SER 93 -4.283 2.462 5.689 664 HB2 SER 93 1HB SER 93 -5.255 2.080 3.653 665 HB3 SER 93 2HB SER 93 -6.893 2.187 4.295 666 HG SER 93 HG SER 93 -6.704 4.424 4.312 667 HA PRO 94 HA PRO 94 -3.886 4.411 4.395 668 HB2 PRO 94 1HB PRO 94 -2.009 6.188 5.227 669 HB3 PRO 94 2HB PRO 94 -3.486 6.674 4.386 670 HG2 PRO 94 1HG PRO 94 -2.875 6.711 7.316 671 HG3 PRO 94 2HG PRO 94 -3.691 7.936 6.328 672 HD2 PRO 94 1HD PRO 94 -5.043 6.195 7.899 673 HD3 PRO 94 2HD PRO 94 -5.703 6.813 6.371 674 H PHE 95 H PHE 95 -2.112 3.129 4.175 675 HA PHE 95 HA PHE 95 -1.206 1.694 6.492 676 HB2 PHE 95 1HB PHE 95 -0.531 1.539 3.558 677 HB3 PHE 95 2HB PHE 95 0.297 0.556 4.762 678 HD1 PHE 95 1HD PHE 95 -1.367 -0.718 6.410 679 HD2 PHE 95 2HD PHE 95 -2.320 0.606 2.479 680 HE1 PHE 95 1HE PHE 95 -3.171 -2.387 6.289 681 HE2 PHE 95 2HE PHE 95 -4.126 -1.060 2.352 682 HZ PHE 95 HZ PHE 95 -4.554 -2.559 4.258 683 H LYS 96 H LYS 96 0.132 2.733 7.838 684 HA LYS 96 HA LYS 96 2.012 4.698 7.012 685 HB2 LYS 96 1HB LYS 96 1.822 3.160 9.608 686 HB3 LYS 96 2HB LYS 96 2.823 4.582 9.343 687 HG2 LYS 96 1HG LYS 96 -0.150 4.638 8.951 688 HG3 LYS 96 2HG LYS 96 0.599 4.918 10.525 689 HD2 LYS 96 1HD LYS 96 1.906 6.763 9.550 690 HD3 LYS 96 2HD LYS 96 1.103 6.496 8.001 691 HE2 LYS 96 1HE LYS 96 -0.224 8.156 8.825 692 HE3 LYS 96 2HE LYS 96 -1.065 6.760 9.496 693 HZ1 LYS 96 1HZ LYS 96 0.995 7.568 11.247 694 HZ2 LYS 96 2HZ LYS 96 -0.671 7.501 11.530 695 HZ3 LYS 96 3HZ LYS 96 0.020 8.902 10.880 696 H ILE 97 H ILE 97 3.665 4.148 5.732 697 HA ILE 97 HA ILE 97 5.157 1.687 6.343 698 HB ILE 97 HB ILE 97 6.145 2.004 4.048 699 HG12 ILE 97 1HG1 ILE 97 3.821 3.799 3.454 700 HG13 ILE 97 2HG1 ILE 97 5.311 4.494 4.084 701 HG21 ILE 97 1HG2 ILE 97 4.340 0.943 2.950 702 HG22 ILE 97 2HG2 ILE 97 4.225 0.478 4.646 703 HG23 ILE 97 3HG2 ILE 97 3.152 1.718 3.998 704 HD11 ILE 97 1HD1 ILE 97 6.507 3.364 2.187 705 HD12 ILE 97 2HD1 ILE 97 4.919 2.985 1.520 706 HD13 ILE 97 3HD1 ILE 97 5.407 4.666 1.734 707 H ARG 98 H ARG 98 7.284 1.750 6.853 708 HA ARG 98 HA ARG 98 8.425 4.369 7.417 709 HB2 ARG 98 1HB ARG 98 8.498 2.623 9.152 710 HB3 ARG 98 2HB ARG 98 9.451 1.604 8.081 711 HG2 ARG 98 1HG ARG 98 11.117 3.567 8.051 712 HG3 ARG 98 2HG ARG 98 10.245 4.123 9.482 713 HD2 ARG 98 1HD ARG 98 10.701 2.013 10.601 714 HD3 ARG 98 2HD ARG 98 11.515 1.406 9.159 715 HE ARG 98 HE ARG 98 13.370 2.644 9.714 716 HH11 ARG 98 1HH1 ARG 98 10.672 3.629 11.681 717 HH12 ARG 98 2HH1 ARG 98 11.634 4.604 12.742 718 HH21 ARG 98 1HH2 ARG 98 14.647 3.924 11.105 719 HH22 ARG 98 2HH2 ARG 98 13.895 4.771 12.413 720 H VAL 99 H VAL 99 9.851 5.331 6.135 721 HA VAL 99 HA VAL 99 11.250 3.695 4.120 722 HB VAL 99 HB VAL 99 10.459 6.606 3.953 723 HG11 VAL 99 1HG1 VAL 99 11.451 6.695 1.825 724 HG12 VAL 99 2HG1 VAL 99 12.647 5.901 2.852 725 HG13 VAL 99 3HG1 VAL 99 11.652 4.944 1.753 726 HG21 VAL 99 1HG2 VAL 99 8.966 5.865 2.158 727 HG22 VAL 99 2HG2 VAL 99 9.439 4.192 2.455 728 HG23 VAL 99 3HG2 VAL 99 8.564 5.094 3.692 729 H GLY 100 H GLY 100 13.370 3.514 4.394 730 HA2 GLY 100 1HA GLY 100 15.546 4.486 4.566 731 HA3 GLY 100 2HA GLY 100 14.853 5.785 5.526 732 H GLU 101 H GLU 101 15.303 2.252 5.631 733 HA GLU 101 HA GLU 101 15.390 2.340 8.538 734 HB2 GLU 101 1HB GLU 101 14.143 0.515 7.645 735 HB3 GLU 101 2HB GLU 101 15.440 0.082 6.541 736 HG2 GLU 101 1HG GLU 101 16.816 -0.326 8.687 737 HG3 GLU 101 2HG GLU 101 15.246 -0.363 9.488 738 H GLN 102 H GLN 102 17.173 1.985 9.777 739 HA GLN 102 HA GLN 102 19.744 2.150 8.404 740 HB2 GLN 102 1HB GLN 102 19.109 3.716 10.286 741 HB3 GLN 102 2HB GLN 102 19.226 2.337 11.371 742 HG2 GLN 102 1HG GLN 102 21.244 3.770 11.334 743 HG3 GLN 102 2HG GLN 102 21.553 2.085 10.917 744 HE21 GLN 102 1HE2 GLN 102 21.568 5.350 9.830 745 HE22 GLN 102 2HE2 GLN 102 22.296 5.064 8.290 746 H SER 103 H SER 103 21.563 0.851 9.185 747 HA SER 103 HA SER 103 21.103 -1.870 9.034 748 HB2 SER 103 1HB SER 103 23.402 -2.180 9.663 749 HB3 SER 103 2HB SER 103 23.310 -0.696 8.715 750 HG SER 103 HG SER 103 24.555 -0.331 10.548 751 H GLN 104 H GLN 104 20.088 -3.194 10.373 752 HA GLN 104 HA GLN 104 19.770 -2.488 13.172 753 HB2 GLN 104 1HB GLN 104 18.129 -4.230 13.270 754 HB3 GLN 104 2HB GLN 104 17.863 -3.327 11.784 755 HG2 GLN 104 1HG GLN 104 19.351 -5.168 10.714 756 HG3 GLN 104 2HG GLN 104 18.925 -6.088 12.156 757 HE21 GLN 104 1HE2 GLN 104 18.152 -5.773 9.072 758 HE22 GLN 104 2HE2 GLN 104 16.460 -6.121 9.115 759 H ALA 105 H ALA 105 19.785 -4.564 14.672 760 HA ALA 105 HA ALA 105 22.453 -5.758 14.345 761 HB1 ALA 105 1HB ALA 105 22.119 -4.344 16.339 762 HB2 ALA 105 2HB ALA 105 20.846 -5.442 16.877 763 HB3 ALA 105 3HB ALA 105 22.509 -6.016 16.746 764 H GLY 106 H GLY 106 22.576 -7.850 13.876 765 HA2 GLY 106 1HA GLY 106 21.349 -9.959 15.088 766 HA3 GLY 106 2HA GLY 106 20.209 -9.487 13.836 767 H SER 107 H SER 107 21.342 -11.995 13.837 768 HA SER 107 HA SER 107 23.649 -12.092 12.138 769 HB2 SER 107 1HB SER 107 23.106 -13.885 13.772 770 HB3 SER 107 2HB SER 107 21.686 -14.297 12.812 771 HG SER 107 HG SER 107 23.955 -15.363 12.501 772 H GLY 108 H GLY 108 20.298 -13.222 11.622 773 HA2 GLY 108 1HA GLY 108 19.415 -12.049 9.456 774 HA3 GLY 108 2HA GLY 108 20.725 -12.968 8.732 775 HA PRO 109 HA PRO 109 16.688 -15.492 9.467 776 HB2 PRO 109 1HB PRO 109 15.333 -15.003 7.166 777 HB3 PRO 109 2HB PRO 109 15.099 -14.054 8.639 778 HG2 PRO 109 1HG PRO 109 16.744 -13.421 6.219 779 HG3 PRO 109 2HG PRO 109 15.673 -12.360 7.152 780 HD2 PRO 109 1HD PRO 109 18.364 -12.341 7.452 781 HD3 PRO 109 2HD PRO 109 17.251 -11.999 8.793 782 H SER 110 H SER 110 16.025 -17.368 8.156 783 HA SER 110 HA SER 110 17.750 -18.031 5.904 784 HB2 SER 110 1HB SER 110 18.355 -20.232 6.950 785 HB3 SER 110 2HB SER 110 19.082 -18.836 7.745 786 HG SER 110 HG SER 110 17.416 -18.973 9.315 787 H SER 111 H SER 111 17.091 -20.082 4.856 788 HA SER 111 HA SER 111 14.194 -20.509 5.173 789 HB2 SER 111 1HB SER 111 14.142 -21.104 2.796 790 HB3 SER 111 2HB SER 111 14.832 -19.495 3.015 791 HG SER 111 HG SER 111 16.392 -20.296 1.846 792 H GLY 112 H GLY 112 13.498 -22.724 4.277 793 HA2 GLY 112 1HA GLY 112 15.414 -24.861 4.527 794 HA3 GLY 112 2HA GLY 112 14.319 -24.749 5.897 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -35.847 4.715 -16.371 2 HA2 GLY 1 1HA GLY 1 -34.082 6.108 -16.931 3 HA3 GLY 1 2HA GLY 1 -34.035 6.662 -15.264 4 H SER 2 H SER 2 -32.763 5.564 -13.753 5 HA SER 2 HA SER 2 -30.665 3.915 -14.971 6 HB2 SER 2 1HB SER 2 -29.287 4.520 -13.064 7 HB3 SER 2 2HB SER 2 -29.987 5.982 -13.758 8 HG SER 2 HG SER 2 -31.728 5.402 -12.043 9 H SER 3 H SER 3 -30.671 1.800 -14.648 10 HA SER 3 HA SER 3 -31.939 0.745 -12.207 11 HB2 SER 3 1HB SER 3 -32.679 -1.213 -13.538 12 HB3 SER 3 2HB SER 3 -33.397 0.294 -14.108 13 HG SER 3 HG SER 3 -32.566 -1.064 -15.802 14 H GLY 4 H GLY 4 -30.526 -0.269 -10.957 15 HA2 GLY 4 1HA GLY 4 -29.017 -2.105 -10.606 16 HA3 GLY 4 2HA GLY 4 -28.399 -1.856 -12.232 17 H SER 5 H SER 5 -28.628 -0.247 -9.070 18 HA SER 5 HA SER 5 -25.863 0.660 -9.422 19 HB2 SER 5 1HB SER 5 -28.150 2.441 -8.546 20 HB3 SER 5 2HB SER 5 -26.446 2.895 -8.537 21 HG SER 5 HG SER 5 -28.193 2.972 -10.566 22 H SER 6 H SER 6 -24.782 -0.234 -7.802 23 HA SER 6 HA SER 6 -25.683 0.163 -5.076 24 HB2 SER 6 1HB SER 6 -26.769 -1.955 -5.651 25 HB3 SER 6 2HB SER 6 -25.224 -2.620 -6.180 26 HG SER 6 HG SER 6 -24.609 -1.956 -3.867 27 H GLY 7 H GLY 7 -24.024 0.021 -3.550 28 HA2 GLY 7 1HA GLY 7 -21.320 -0.307 -4.702 29 HA3 GLY 7 2HA GLY 7 -21.711 0.938 -3.524 30 H SER 8 H SER 8 -21.676 -2.587 -3.958 31 HA SER 8 HA SER 8 -22.013 -3.409 -1.360 32 HB2 SER 8 1HB SER 8 -20.293 -4.553 -3.561 33 HB3 SER 8 2HB SER 8 -20.501 -5.363 -2.009 34 HG SER 8 HG SER 8 -22.379 -6.021 -2.658 35 H ASP 9 H ASP 9 -20.717 -3.716 0.420 36 HA ASP 9 HA ASP 9 -18.203 -2.198 0.411 37 HB2 ASP 9 1HB ASP 9 -20.273 -2.773 2.477 38 HB3 ASP 9 2HB ASP 9 -18.609 -2.567 3.017 39 H ASP 10 H ASP 10 -17.048 -3.970 -0.570 40 HA ASP 10 HA ASP 10 -16.558 -6.226 1.257 41 HB2 ASP 10 1HB ASP 10 -16.186 -5.996 -1.733 42 HB3 ASP 10 2HB ASP 10 -15.620 -7.365 -0.780 43 H ALA 11 H ALA 11 -15.364 -3.587 1.516 44 HA ALA 11 HA ALA 11 -12.632 -3.835 0.603 45 HB1 ALA 11 1HB ALA 11 -12.673 -1.766 2.422 46 HB2 ALA 11 2HB ALA 11 -12.898 -1.622 0.679 47 HB3 ALA 11 3HB ALA 11 -14.300 -1.744 1.742 48 H ARG 12 H ARG 12 -14.392 -5.056 3.171 49 HA ARG 12 HA ARG 12 -12.378 -4.898 5.207 50 HB2 ARG 12 1HB ARG 12 -15.029 -6.237 4.915 51 HB3 ARG 12 2HB ARG 12 -13.929 -6.832 6.151 52 HG2 ARG 12 1HG ARG 12 -15.035 -4.046 5.894 53 HG3 ARG 12 2HG ARG 12 -15.412 -5.239 7.139 54 HD2 ARG 12 1HD ARG 12 -12.786 -5.150 7.488 55 HD3 ARG 12 2HD ARG 12 -12.995 -3.545 6.788 56 HE ARG 12 HE ARG 12 -13.883 -4.446 9.387 57 HH11 ARG 12 1HH1 ARG 12 -14.191 -2.053 6.877 58 HH12 ARG 12 2HH1 ARG 12 -14.836 -0.840 7.932 59 HH21 ARG 12 1HH2 ARG 12 -14.733 -2.857 10.786 60 HH22 ARG 12 2HH2 ARG 12 -15.143 -1.298 10.155 61 H ARG 13 H ARG 13 -12.857 -6.840 2.468 62 HA ARG 13 HA ARG 13 -11.372 -9.109 3.540 63 HB2 ARG 13 1HB ARG 13 -12.651 -8.618 0.847 64 HB3 ARG 13 2HB ARG 13 -11.759 -10.077 1.258 65 HG2 ARG 13 1HG ARG 13 -13.400 -10.863 2.639 66 HG3 ARG 13 2HG ARG 13 -14.002 -9.249 3.022 67 HD2 ARG 13 1HD ARG 13 -15.195 -9.087 1.029 68 HD3 ARG 13 2HD ARG 13 -14.252 -10.358 0.252 69 HE ARG 13 HE ARG 13 -16.566 -10.690 1.930 70 HH11 ARG 13 1HH1 ARG 13 -13.696 -12.197 0.661 71 HH12 ARG 13 2HH1 ARG 13 -14.301 -13.810 0.852 72 HH21 ARG 13 1HH2 ARG 13 -17.373 -12.808 2.187 73 HH22 ARG 13 2HH2 ARG 13 -16.393 -14.156 1.719 74 H LEU 14 H LEU 14 -10.765 -6.189 1.954 75 HA LEU 14 HA LEU 14 -8.553 -6.944 0.343 76 HB2 LEU 14 1HB LEU 14 -9.053 -4.246 1.578 77 HB3 LEU 14 2HB LEU 14 -8.101 -4.606 0.139 78 HG LEU 14 HG LEU 14 -11.069 -5.083 0.283 79 HD11 LEU 14 1HD1 LEU 14 -10.636 -2.718 0.721 80 HD12 LEU 14 2HD1 LEU 14 -11.361 -2.957 -0.869 81 HD13 LEU 14 3HD1 LEU 14 -9.633 -2.631 -0.727 82 HD21 LEU 14 1HD2 LEU 14 -9.016 -5.629 -1.629 83 HD22 LEU 14 2HD2 LEU 14 -10.140 -4.447 -2.301 84 HD23 LEU 14 3HD2 LEU 14 -10.739 -5.999 -1.710 85 H THR 15 H THR 15 -6.421 -7.102 0.792 86 HA THR 15 HA THR 15 -5.362 -6.160 3.324 87 HB THR 15 HB THR 15 -6.148 -8.335 4.009 88 HG1 THR 15 1HG THR 15 -4.132 -9.216 4.639 89 HG21 THR 15 1HG2 THR 15 -6.430 -9.595 2.068 90 HG22 THR 15 2HG2 THR 15 -5.044 -10.364 2.840 91 HG23 THR 15 3HG2 THR 15 -4.799 -9.253 1.493 92 H VAL 16 H VAL 16 -2.996 -6.423 3.454 93 HA VAL 16 HA VAL 16 -1.701 -6.814 0.848 94 HB VAL 16 HB VAL 16 -0.987 -4.496 2.636 95 HG11 VAL 16 1HG1 VAL 16 0.571 -5.582 0.830 96 HG12 VAL 16 2HG1 VAL 16 -0.436 -4.661 -0.289 97 HG13 VAL 16 3HG1 VAL 16 0.460 -3.829 0.982 98 HG21 VAL 16 1HG2 VAL 16 -3.255 -4.127 1.902 99 HG22 VAL 16 2HG2 VAL 16 -2.174 -3.063 1.002 100 HG23 VAL 16 3HG2 VAL 16 -2.817 -4.517 0.239 101 H THR 17 H THR 17 0.237 -7.815 0.934 102 HA THR 17 HA THR 17 1.445 -8.235 3.589 103 HB THR 17 HB THR 17 1.190 -10.283 1.379 104 HG1 THR 17 1HG THR 17 -0.142 -11.342 2.885 105 HG21 THR 17 1HG2 THR 17 3.184 -10.923 2.296 106 HG22 THR 17 2HG2 THR 17 2.090 -11.709 3.435 107 HG23 THR 17 3HG2 THR 17 2.837 -10.166 3.850 108 H SER 18 H SER 18 2.203 -8.852 0.154 109 HA SER 18 HA SER 18 4.868 -8.897 0.111 110 HB2 SER 18 1HB SER 18 2.906 -7.626 -1.743 111 HB3 SER 18 2HB SER 18 4.621 -7.322 -2.022 112 HG SER 18 HG SER 18 4.713 -9.228 -2.872 113 H LEU 19 H LEU 19 2.968 -5.922 0.426 114 HA LEU 19 HA LEU 19 4.914 -4.005 0.303 115 HB2 LEU 19 1HB LEU 19 2.638 -3.371 0.558 116 HB3 LEU 19 2HB LEU 19 2.516 -4.199 2.109 117 HG LEU 19 HG LEU 19 4.371 -2.433 2.785 118 HD11 LEU 19 1HD1 LEU 19 4.793 -0.972 1.159 119 HD12 LEU 19 2HD1 LEU 19 3.194 -0.305 1.486 120 HD13 LEU 19 3HD1 LEU 19 3.404 -1.503 0.210 121 HD21 LEU 19 1HD2 LEU 19 2.679 -1.167 3.819 122 HD22 LEU 19 2HD2 LEU 19 2.022 -2.798 3.682 123 HD23 LEU 19 3HD2 LEU 19 1.510 -1.542 2.553 124 H GLN 20 H GLN 20 6.514 -3.232 1.587 125 HA GLN 20 HA GLN 20 7.185 -4.841 3.942 126 HB2 GLN 20 1HB GLN 20 8.783 -4.318 1.925 127 HB3 GLN 20 2HB GLN 20 9.022 -2.792 2.766 128 HG2 GLN 20 1HG GLN 20 9.966 -3.838 4.634 129 HG3 GLN 20 2HG GLN 20 9.371 -5.426 4.151 130 HE21 GLN 20 1HE2 GLN 20 11.407 -2.814 2.871 131 HE22 GLN 20 2HE2 GLN 20 12.630 -3.852 2.229 132 H GLU 21 H GLU 21 6.252 -4.029 5.721 133 HA GLU 21 HA GLU 21 5.402 -1.472 6.222 134 HB2 GLU 21 1HB GLU 21 6.353 -3.669 8.026 135 HB3 GLU 21 2HB GLU 21 5.930 -2.103 8.704 136 HG2 GLU 21 1HG GLU 21 3.697 -2.308 7.644 137 HG3 GLU 21 2HG GLU 21 4.136 -3.937 7.134 138 H THR 22 H THR 22 8.551 -2.842 7.171 139 HA THR 22 HA THR 22 9.684 -0.137 7.043 140 HB THR 22 HB THR 22 10.962 -0.481 9.090 141 HG1 THR 22 1HG THR 22 9.759 -3.016 8.954 142 HG21 THR 22 1HG2 THR 22 8.500 0.381 9.043 143 HG22 THR 22 2HG2 THR 22 9.270 0.024 10.589 144 HG23 THR 22 3HG2 THR 22 8.150 -1.135 9.873 145 H GLY 23 H GLY 23 11.469 -0.079 5.843 146 HA2 GLY 23 1HA GLY 23 13.750 -1.367 5.830 147 HA3 GLY 23 2HA GLY 23 12.741 -2.618 5.118 148 H LEU 24 H LEU 24 11.200 -0.163 3.935 149 HA LEU 24 HA LEU 24 12.428 -0.305 1.376 150 HB2 LEU 24 1HB LEU 24 10.367 1.670 2.338 151 HB3 LEU 24 2HB LEU 24 10.731 1.253 0.665 152 HG LEU 24 HG LEU 24 9.495 -0.594 2.707 153 HD11 LEU 24 1HD1 LEU 24 8.097 0.360 0.261 154 HD12 LEU 24 2HD1 LEU 24 8.191 1.434 1.656 155 HD13 LEU 24 3HD1 LEU 24 7.438 -0.153 1.815 156 HD21 LEU 24 1HD2 LEU 24 10.449 -0.957 -0.093 157 HD22 LEU 24 2HD2 LEU 24 9.019 -1.837 0.448 158 HD23 LEU 24 3HD2 LEU 24 10.556 -2.050 1.287 159 H LYS 25 H LYS 25 14.134 0.780 0.679 160 HA LYS 25 HA LYS 25 15.337 2.871 2.189 161 HB2 LYS 25 1HB LYS 25 15.887 1.797 -0.579 162 HB3 LYS 25 2HB LYS 25 16.862 3.047 0.183 163 HG2 LYS 25 1HG LYS 25 17.780 1.599 1.706 164 HG3 LYS 25 2HG LYS 25 16.413 0.485 1.633 165 HD2 LYS 25 1HD LYS 25 18.254 -0.576 0.554 166 HD3 LYS 25 2HD LYS 25 17.122 -0.082 -0.707 167 HE2 LYS 25 1HE LYS 25 19.309 1.787 0.057 168 HE3 LYS 25 2HE LYS 25 19.714 0.376 -0.919 169 HZ1 LYS 25 1HZ LYS 25 17.443 2.047 -1.730 170 HZ2 LYS 25 2HZ LYS 25 18.500 1.132 -2.682 171 HZ3 LYS 25 3HZ LYS 25 19.010 2.609 -2.035 172 H VAL 26 H VAL 26 16.176 4.809 0.586 173 HA VAL 26 HA VAL 26 13.708 6.235 -0.069 174 HB VAL 26 HB VAL 26 15.331 7.315 1.456 175 HG11 VAL 26 1HG1 VAL 26 17.266 8.290 -0.314 176 HG12 VAL 26 2HG1 VAL 26 17.502 7.148 1.010 177 HG13 VAL 26 3HG1 VAL 26 17.173 6.556 -0.619 178 HG21 VAL 26 1HG2 VAL 26 15.147 8.835 -1.136 179 HG22 VAL 26 2HG2 VAL 26 13.767 8.584 -0.067 180 HG23 VAL 26 3HG2 VAL 26 15.173 9.482 0.505 181 H ASN 27 H ASN 27 13.402 7.316 -2.036 182 HA ASN 27 HA ASN 27 13.379 7.438 -4.311 183 HB2 ASN 27 1HB ASN 27 16.287 7.592 -3.611 184 HB3 ASN 27 2HB ASN 27 15.810 7.530 -5.305 185 HD21 ASN 27 1HD2 ASN 27 16.478 9.531 -2.780 186 HD22 ASN 27 2HD2 ASN 27 15.681 10.962 -3.332 187 H GLN 28 H GLN 28 13.079 4.830 -3.236 188 HA GLN 28 HA GLN 28 14.385 3.195 -5.309 189 HB2 GLN 28 1HB GLN 28 14.322 1.322 -3.851 190 HB3 GLN 28 2HB GLN 28 14.940 2.667 -2.901 191 HG2 GLN 28 1HG GLN 28 13.011 2.845 -1.648 192 HG3 GLN 28 2HG GLN 28 12.025 2.033 -2.863 193 HE21 GLN 28 1HE2 GLN 28 11.279 0.219 -2.043 194 HE22 GLN 28 2HE2 GLN 28 12.183 -0.932 -1.124 195 HA PRO 29 HA PRO 29 10.413 2.437 -7.047 196 HB2 PRO 29 1HB PRO 29 10.949 0.113 -8.343 197 HB3 PRO 29 2HB PRO 29 11.537 1.683 -8.903 198 HG2 PRO 29 1HG PRO 29 12.971 -0.428 -7.339 199 HG3 PRO 29 2HG PRO 29 13.554 0.542 -8.704 200 HD2 PRO 29 1HD PRO 29 14.184 1.116 -6.134 201 HD3 PRO 29 2HD PRO 29 13.999 2.372 -7.375 202 H ALA 30 H ALA 30 9.239 2.053 -5.110 203 HA ALA 30 HA ALA 30 9.150 -0.694 -4.116 204 HB1 ALA 30 1HB ALA 30 9.117 1.644 -2.771 205 HB2 ALA 30 2HB ALA 30 7.386 1.325 -2.901 206 HB3 ALA 30 3HB ALA 30 8.448 0.137 -2.144 207 H SER 31 H SER 31 7.513 -2.062 -4.496 208 HA SER 31 HA SER 31 4.924 -1.093 -5.371 209 HB2 SER 31 1HB SER 31 4.936 -2.538 -7.410 210 HB3 SER 31 2HB SER 31 6.075 -1.195 -7.499 211 HG SER 31 HG SER 31 7.681 -2.765 -6.742 212 H PHE 32 H PHE 32 3.278 -2.503 -4.935 213 HA PHE 32 HA PHE 32 3.915 -5.236 -4.140 214 HB2 PHE 32 1HB PHE 32 2.324 -4.780 -2.096 215 HB3 PHE 32 2HB PHE 32 4.039 -4.396 -1.990 216 HD1 PHE 32 2HD PHE 32 4.709 -1.972 -2.606 217 HD2 PHE 32 1HD PHE 32 0.751 -3.167 -1.594 218 HE1 PHE 32 2HE PHE 32 4.153 0.358 -2.043 219 HE2 PHE 32 1HE PHE 32 0.188 -0.839 -1.031 220 HZ PHE 32 HZ PHE 32 1.890 0.927 -1.254 221 H ALA 33 H ALA 33 1.682 -6.278 -3.368 222 HA ALA 33 HA ALA 33 -0.339 -5.495 -5.367 223 HB1 ALA 33 1HB ALA 33 1.041 -7.770 -5.511 224 HB2 ALA 33 2HB ALA 33 -0.252 -8.304 -4.437 225 HB3 ALA 33 3HB ALA 33 -0.641 -7.644 -6.025 226 H VAL 34 H VAL 34 -2.527 -5.713 -4.800 227 HA VAL 34 HA VAL 34 -3.022 -5.988 -1.906 228 HB VAL 34 HB VAL 34 -4.474 -4.199 -3.861 229 HG11 VAL 34 1HG1 VAL 34 -5.209 -3.409 -1.354 230 HG12 VAL 34 2HG1 VAL 34 -6.165 -4.450 -2.411 231 HG13 VAL 34 3HG1 VAL 34 -5.126 -5.161 -1.175 232 HG21 VAL 34 1HG2 VAL 34 -3.269 -2.887 -1.597 233 HG22 VAL 34 2HG2 VAL 34 -2.060 -3.784 -2.516 234 HG23 VAL 34 3HG2 VAL 34 -3.057 -2.571 -3.320 235 H GLN 35 H GLN 35 -3.865 -7.975 -1.676 236 HA GLN 35 HA GLN 35 -5.491 -9.248 -3.629 237 HB2 GLN 35 1HB GLN 35 -4.039 -10.345 -1.826 238 HB3 GLN 35 2HB GLN 35 -5.363 -10.008 -0.718 239 HG2 GLN 35 1HG GLN 35 -6.867 -11.316 -2.175 240 HG3 GLN 35 2HG GLN 35 -5.483 -11.716 -3.193 241 HE21 GLN 35 1HE2 GLN 35 -3.534 -12.425 -1.643 242 HE22 GLN 35 2HE2 GLN 35 -3.956 -13.719 -0.578 243 H LEU 36 H LEU 36 -7.660 -9.368 -3.838 244 HA LEU 36 HA LEU 36 -9.249 -7.523 -2.252 245 HB2 LEU 36 1HB LEU 36 -10.282 -9.251 -4.473 246 HB3 LEU 36 2HB LEU 36 -10.893 -7.697 -3.909 247 HG LEU 36 HG LEU 36 -8.266 -8.050 -5.346 248 HD11 LEU 36 1HD1 LEU 36 -10.502 -8.608 -6.586 249 HD12 LEU 36 2HD1 LEU 36 -9.271 -7.612 -7.360 250 HD13 LEU 36 3HD1 LEU 36 -10.680 -6.854 -6.619 251 HD21 LEU 36 1HD2 LEU 36 -9.587 -5.845 -4.006 252 HD22 LEU 36 2HD2 LEU 36 -9.237 -5.481 -5.696 253 HD23 LEU 36 3HD2 LEU 36 -7.936 -5.973 -4.612 254 H ASN 37 H ASN 37 -8.692 -10.919 -2.547 255 HA ASN 37 HA ASN 37 -9.640 -12.755 -1.577 256 HB2 ASN 37 1HB ASN 37 -9.937 -10.668 0.585 257 HB3 ASN 37 2HB ASN 37 -10.311 -12.369 0.846 258 HD21 ASN 37 1HD2 ASN 37 -7.732 -10.241 -0.309 259 HD22 ASN 37 2HD2 ASN 37 -6.431 -11.189 0.318 260 H GLY 38 H GLY 38 -11.401 -11.182 -3.265 261 HA2 GLY 38 1HA GLY 38 -13.679 -12.273 -3.544 262 HA3 GLY 38 2HA GLY 38 -13.993 -11.647 -1.932 263 H ALA 39 H ALA 39 -12.723 -9.131 -2.240 264 HA ALA 39 HA ALA 39 -14.822 -7.611 -3.301 265 HB1 ALA 39 1HB ALA 39 -12.227 -6.257 -3.237 266 HB2 ALA 39 2HB ALA 39 -13.737 -5.863 -2.414 267 HB3 ALA 39 3HB ALA 39 -12.655 -7.080 -1.736 268 H ARG 40 H ARG 40 -15.029 -6.403 -5.188 269 HA ARG 40 HA ARG 40 -13.041 -6.788 -7.294 270 HB2 ARG 40 1HB ARG 40 -15.069 -8.505 -7.284 271 HB3 ARG 40 2HB ARG 40 -15.896 -7.162 -8.062 272 HG2 ARG 40 1HG ARG 40 -13.257 -8.169 -9.063 273 HG3 ARG 40 2HG ARG 40 -14.784 -8.908 -9.552 274 HD2 ARG 40 1HD ARG 40 -14.529 -5.954 -9.748 275 HD3 ARG 40 2HD ARG 40 -13.670 -6.939 -10.931 276 HE ARG 40 HE ARG 40 -16.287 -7.876 -10.803 277 HH11 ARG 40 1HH1 ARG 40 -14.590 -4.983 -11.736 278 HH12 ARG 40 2HH1 ARG 40 -15.767 -4.517 -12.919 279 HH21 ARG 40 1HH2 ARG 40 -17.843 -7.274 -12.358 280 HH22 ARG 40 2HH2 ARG 40 -17.617 -5.821 -13.272 281 H GLY 41 H GLY 41 -12.515 -4.746 -7.756 282 HA2 GLY 41 1HA GLY 41 -14.329 -2.995 -9.013 283 HA3 GLY 41 2HA GLY 41 -14.129 -2.496 -7.340 284 H VAL 42 H VAL 42 -13.031 -0.616 -7.655 285 HA VAL 42 HA VAL 42 -10.444 -0.811 -9.056 286 HB VAL 42 HB VAL 42 -11.919 1.761 -8.528 287 HG11 VAL 42 1HG1 VAL 42 -10.517 2.549 -10.417 288 HG12 VAL 42 2HG1 VAL 42 -9.578 2.026 -9.018 289 HG13 VAL 42 3HG1 VAL 42 -9.715 0.979 -10.431 290 HG21 VAL 42 1HG2 VAL 42 -13.491 0.901 -9.916 291 HG22 VAL 42 2HG2 VAL 42 -12.333 1.398 -11.149 292 HG23 VAL 42 3HG2 VAL 42 -12.385 -0.282 -10.616 293 H ILE 43 H ILE 43 -8.616 -0.292 -7.989 294 HA ILE 43 HA ILE 43 -8.901 0.543 -5.181 295 HB ILE 43 HB ILE 43 -6.666 -0.979 -6.525 296 HG12 ILE 43 1HG1 ILE 43 -8.848 -2.173 -5.970 297 HG13 ILE 43 2HG1 ILE 43 -7.383 -2.865 -5.281 298 HG21 ILE 43 1HG2 ILE 43 -5.652 -1.131 -4.307 299 HG22 ILE 43 2HG2 ILE 43 -5.787 0.545 -4.837 300 HG23 ILE 43 3HG2 ILE 43 -6.923 -0.099 -3.652 301 HD11 ILE 43 1HD1 ILE 43 -7.900 -2.114 -3.137 302 HD12 ILE 43 2HD1 ILE 43 -9.090 -0.955 -3.732 303 HD13 ILE 43 3HD1 ILE 43 -9.438 -2.683 -3.788 304 H ASP 44 H ASP 44 -8.090 2.434 -4.545 305 HA ASP 44 HA ASP 44 -6.474 3.958 -6.468 306 HB2 ASP 44 1HB ASP 44 -7.927 5.028 -4.044 307 HB3 ASP 44 2HB ASP 44 -7.245 5.953 -5.380 308 H ALA 45 H ALA 45 -4.522 4.847 -5.912 309 HA ALA 45 HA ALA 45 -3.505 4.313 -3.207 310 HB1 ALA 45 1HB ALA 45 -1.375 4.021 -5.085 311 HB2 ALA 45 2HB ALA 45 -1.996 2.852 -3.919 312 HB3 ALA 45 3HB ALA 45 -2.697 2.943 -5.535 313 H ARG 46 H ARG 46 -2.951 6.191 -2.338 314 HA ARG 46 HA ARG 46 -1.505 8.142 -3.989 315 HB2 ARG 46 1HB ARG 46 -3.944 8.627 -2.301 316 HB3 ARG 46 2HB ARG 46 -2.795 9.920 -2.618 317 HG2 ARG 46 1HG ARG 46 -3.969 8.342 -4.871 318 HG3 ARG 46 2HG ARG 46 -4.862 9.675 -4.135 319 HD2 ARG 46 1HD ARG 46 -2.033 10.104 -4.974 320 HD3 ARG 46 2HD ARG 46 -3.297 10.081 -6.202 321 HE ARG 46 HE ARG 46 -2.756 12.173 -4.353 322 HH11 ARG 46 1HH1 ARG 46 -5.327 10.568 -6.064 323 HH12 ARG 46 2HH1 ARG 46 -6.370 11.952 -6.059 324 HH21 ARG 46 1HH2 ARG 46 -4.119 14.001 -4.340 325 HH22 ARG 46 2HH2 ARG 46 -5.681 13.904 -5.079 326 H VAL 47 H VAL 47 0.334 8.767 -3.073 327 HA VAL 47 HA VAL 47 0.816 8.088 -0.272 328 HB VAL 47 HB VAL 47 3.206 8.739 -0.855 329 HG11 VAL 47 1HG1 VAL 47 3.179 6.601 -2.565 330 HG12 VAL 47 2HG1 VAL 47 3.197 6.501 -0.803 331 HG13 VAL 47 3HG1 VAL 47 1.669 6.397 -1.678 332 HG21 VAL 47 1HG2 VAL 47 3.852 9.139 -3.034 333 HG22 VAL 47 2HG2 VAL 47 2.405 8.394 -3.713 334 HG23 VAL 47 3HG2 VAL 47 2.308 9.987 -2.961 335 H HIS 48 H HIS 48 1.384 9.562 1.284 336 HA HIS 48 HA HIS 48 1.142 12.402 0.532 337 HB2 HIS 48 1HB HIS 48 0.212 10.968 3.020 338 HB3 HIS 48 2HB HIS 48 0.334 12.722 2.918 339 HD1 HIS 48 1HD HIS 48 -1.663 13.907 2.035 340 HD2 HIS 48 2HD HIS 48 -1.671 9.873 1.040 341 HE1 HIS 48 1HE HIS 48 -3.885 13.491 0.932 342 HE2 HIS 48 2HE HIS 48 -3.901 11.026 0.416 343 H THR 49 H THR 49 3.013 13.429 0.681 344 HA THR 49 HA THR 49 5.241 12.374 2.122 345 HB THR 49 HB THR 49 6.472 14.294 1.360 346 HG1 THR 49 1HG THR 49 3.917 15.400 1.144 347 HG21 THR 49 1HG2 THR 49 5.412 14.322 -1.139 348 HG22 THR 49 2HG2 THR 49 4.703 12.842 -0.491 349 HG23 THR 49 3HG2 THR 49 6.455 13.043 -0.518 350 HA PRO 50 HA PRO 50 4.721 14.257 6.059 351 HB2 PRO 50 1HB PRO 50 7.313 14.594 6.792 352 HB3 PRO 50 2HB PRO 50 6.525 13.012 6.746 353 HG2 PRO 50 1HG PRO 50 8.337 14.284 4.732 354 HG3 PRO 50 2HG PRO 50 8.319 12.612 5.322 355 HD2 PRO 50 1HD PRO 50 7.227 13.331 2.951 356 HD3 PRO 50 2HD PRO 50 6.575 12.010 3.941 357 H SER 51 H SER 51 6.125 15.891 3.440 358 HA SER 51 HA SER 51 6.725 18.338 4.851 359 HB2 SER 51 1HB SER 51 8.016 17.657 2.849 360 HB3 SER 51 2HB SER 51 6.557 17.819 1.872 361 HG SER 51 HG SER 51 7.366 19.993 3.435 362 H GLY 52 H GLY 52 4.550 17.701 2.092 363 HA2 GLY 52 1HA GLY 52 2.133 18.405 3.047 364 HA3 GLY 52 2HA GLY 52 2.908 19.969 2.841 365 H ALA 53 H ALA 53 3.462 17.202 0.752 366 HA ALA 53 HA ALA 53 1.937 18.555 -1.374 367 HB1 ALA 53 1HB ALA 53 4.283 18.991 -1.758 368 HB2 ALA 53 2HB ALA 53 4.652 17.269 -1.640 369 HB3 ALA 53 3HB ALA 53 3.678 17.873 -2.981 370 H VAL 54 H VAL 54 0.331 17.297 -2.028 371 HA VAL 54 HA VAL 54 0.218 14.507 -1.437 372 HB VAL 54 HB VAL 54 -1.565 16.126 -3.261 373 HG11 VAL 54 1HG1 VAL 54 -2.134 13.982 -3.809 374 HG12 VAL 54 2HG1 VAL 54 -1.651 13.334 -2.241 375 HG13 VAL 54 3HG1 VAL 54 -3.171 14.215 -2.402 376 HG21 VAL 54 1HG2 VAL 54 -3.067 15.890 -1.126 377 HG22 VAL 54 2HG2 VAL 54 -1.514 15.720 -0.306 378 HG23 VAL 54 3HG2 VAL 54 -1.864 17.176 -1.237 379 H GLU 55 H GLU 55 1.397 13.056 -2.497 380 HA GLU 55 HA GLU 55 2.054 13.492 -5.311 381 HB2 GLU 55 1HB GLU 55 3.177 11.824 -3.114 382 HB3 GLU 55 2HB GLU 55 3.377 11.247 -4.763 383 HG2 GLU 55 1HG GLU 55 4.421 13.407 -5.351 384 HG3 GLU 55 2HG GLU 55 4.303 13.889 -3.659 385 H GLU 56 H GLU 56 1.898 11.669 -6.823 386 HA GLU 56 HA GLU 56 -0.510 10.062 -6.282 387 HB2 GLU 56 1HB GLU 56 -0.413 9.929 -8.925 388 HB3 GLU 56 2HB GLU 56 -1.155 11.294 -8.101 389 HG2 GLU 56 1HG GLU 56 0.909 12.574 -8.361 390 HG3 GLU 56 2HG GLU 56 1.649 11.208 -9.193 391 H CYS 57 H CYS 57 -0.592 7.910 -7.141 392 HA CYS 57 HA CYS 57 2.079 6.698 -7.418 393 HB2 CYS 57 1HB CYS 57 -0.452 5.459 -6.317 394 HB3 CYS 57 2HB CYS 57 1.099 4.645 -6.473 395 HG CYS 57 HG CYS 57 1.001 5.139 -3.828 396 H TYR 58 H TYR 58 1.775 4.372 -8.461 397 HA TYR 58 HA TYR 58 0.261 4.796 -10.953 398 HB2 TYR 58 1HB TYR 58 2.829 4.656 -11.014 399 HB3 TYR 58 2HB TYR 58 2.618 2.942 -10.672 400 HD1 TYR 58 2HD TYR 58 1.960 5.609 -13.136 401 HD2 TYR 58 1HD TYR 58 1.897 1.425 -12.365 402 HE1 TYR 58 2HE TYR 58 1.625 5.178 -15.534 403 HE2 TYR 58 1HE TYR 58 1.563 0.982 -14.761 404 HH TYR 58 HH TYR 58 1.984 2.113 -16.918 405 H VAL 59 H VAL 59 -1.529 3.620 -11.016 406 HA VAL 59 HA VAL 59 -1.404 0.818 -10.139 407 HB VAL 59 HB VAL 59 -2.557 1.761 -8.333 408 HG11 VAL 59 1HG1 VAL 59 -4.135 3.502 -8.416 409 HG12 VAL 59 2HG1 VAL 59 -2.865 3.981 -9.543 410 HG13 VAL 59 3HG1 VAL 59 -4.379 3.311 -10.152 411 HG21 VAL 59 1HG2 VAL 59 -3.708 -0.169 -9.387 412 HG22 VAL 59 2HG2 VAL 59 -4.795 0.892 -8.492 413 HG23 VAL 59 3HG2 VAL 59 -4.743 0.968 -10.253 414 H SER 60 H SER 60 -1.422 -0.080 -12.145 415 HA SER 60 HA SER 60 -3.047 0.859 -14.284 416 HB2 SER 60 1HB SER 60 -0.864 -0.638 -14.276 417 HB3 SER 60 2HB SER 60 -2.036 -1.954 -14.227 418 HG SER 60 HG SER 60 -2.675 -1.482 -16.204 419 H GLU 61 H GLU 61 -4.549 -0.766 -15.437 420 HA GLU 61 HA GLU 61 -6.857 -1.098 -13.970 421 HB2 GLU 61 1HB GLU 61 -7.636 -2.573 -15.770 422 HB3 GLU 61 2HB GLU 61 -6.821 -1.153 -16.409 423 HG2 GLU 61 1HG GLU 61 -4.754 -2.570 -16.620 424 HG3 GLU 61 2HG GLU 61 -5.769 -3.961 -16.245 425 H LEU 62 H LEU 62 -7.998 -3.211 -13.531 426 HA LEU 62 HA LEU 62 -6.501 -4.699 -11.641 427 HB2 LEU 62 1HB LEU 62 -8.809 -4.441 -11.235 428 HB3 LEU 62 2HB LEU 62 -9.235 -5.038 -12.838 429 HG LEU 62 HG LEU 62 -8.127 -7.255 -11.931 430 HD11 LEU 62 1HD1 LEU 62 -7.351 -6.629 -9.830 431 HD12 LEU 62 2HD1 LEU 62 -8.873 -7.448 -9.480 432 HD13 LEU 62 3HD1 LEU 62 -8.797 -5.686 -9.469 433 HD21 LEU 62 1HD2 LEU 62 -10.392 -7.153 -12.691 434 HD22 LEU 62 2HD2 LEU 62 -10.888 -6.251 -11.259 435 HD23 LEU 62 3HD2 LEU 62 -10.383 -7.935 -11.110 436 H ASP 63 H ASP 63 -5.030 -6.183 -12.107 437 HA ASP 63 HA ASP 63 -5.454 -7.893 -14.470 438 HB2 ASP 63 1HB ASP 63 -2.837 -7.102 -13.171 439 HB3 ASP 63 2HB ASP 63 -3.010 -8.154 -14.573 440 H SER 64 H SER 64 -5.596 -10.030 -14.175 441 HA SER 64 HA SER 64 -5.812 -12.028 -13.105 442 HB2 SER 64 1HB SER 64 -3.262 -10.944 -11.927 443 HB3 SER 64 2HB SER 64 -3.892 -12.518 -11.442 444 HG SER 64 HG SER 64 -3.925 -12.991 -13.771 445 H ASP 65 H ASP 65 -7.310 -9.829 -12.040 446 HA ASP 65 HA ASP 65 -8.654 -9.327 -10.274 447 HB2 ASP 65 1HB ASP 65 -9.124 -11.753 -10.346 448 HB3 ASP 65 2HB ASP 65 -7.779 -12.034 -9.244 449 H LYS 66 H LYS 66 -6.071 -8.282 -10.206 450 HA LYS 66 HA LYS 66 -5.828 -7.720 -7.389 451 HB2 LYS 66 1HB LYS 66 -3.616 -9.121 -8.891 452 HB3 LYS 66 2HB LYS 66 -3.349 -8.238 -7.393 453 HG2 LYS 66 1HG LYS 66 -5.216 -9.771 -6.452 454 HG3 LYS 66 2HG LYS 66 -4.840 -10.785 -7.847 455 HD2 LYS 66 1HD LYS 66 -2.362 -10.402 -6.989 456 HD3 LYS 66 2HD LYS 66 -3.194 -10.148 -5.453 457 HE2 LYS 66 1HE LYS 66 -3.824 -12.537 -7.143 458 HE3 LYS 66 2HE LYS 66 -2.400 -12.534 -6.104 459 HZ1 LYS 66 1HZ LYS 66 -5.161 -11.992 -5.156 460 HZ2 LYS 66 2HZ LYS 66 -3.777 -12.170 -4.199 461 HZ3 LYS 66 3HZ LYS 66 -4.394 -13.497 -5.048 462 H HIS 67 H HIS 67 -4.703 -5.807 -6.961 463 HA HIS 67 HA HIS 67 -4.117 -4.195 -9.351 464 HB2 HIS 67 1HB HIS 67 -5.115 -3.465 -6.608 465 HB3 HIS 67 2HB HIS 67 -4.394 -2.258 -7.669 466 HD1 HIS 67 1HD HIS 67 -5.650 -1.978 -10.057 467 HD2 HIS 67 2HD HIS 67 -7.761 -3.919 -7.051 468 HE1 HIS 67 1HE HIS 67 -8.057 -1.920 -10.781 469 HE2 HIS 67 2HE HIS 67 -9.325 -3.025 -8.906 470 H THR 68 H THR 68 -2.116 -3.467 -9.691 471 HA THR 68 HA THR 68 -0.109 -3.940 -7.598 472 HB THR 68 HB THR 68 0.243 -3.570 -10.579 473 HG1 THR 68 1HG THR 68 0.671 -5.851 -8.922 474 HG21 THR 68 1HG2 THR 68 2.221 -2.709 -9.714 475 HG22 THR 68 2HG2 THR 68 2.614 -4.414 -9.931 476 HG23 THR 68 3HG2 THR 68 2.207 -3.799 -8.329 477 H ILE 69 H ILE 69 0.935 -2.297 -6.661 478 HA ILE 69 HA ILE 69 0.492 0.405 -7.745 479 HB ILE 69 HB ILE 69 1.393 -0.064 -4.933 480 HG12 ILE 69 1HG1 ILE 69 -0.608 -1.537 -5.420 481 HG13 ILE 69 2HG1 ILE 69 -0.837 -0.354 -4.137 482 HG21 ILE 69 1HG2 ILE 69 -0.172 2.060 -6.374 483 HG22 ILE 69 2HG2 ILE 69 -0.037 1.997 -4.618 484 HG23 ILE 69 3HG2 ILE 69 1.409 2.200 -5.607 485 HD11 ILE 69 1HD1 ILE 69 -1.617 0.587 -6.792 486 HD12 ILE 69 2HD1 ILE 69 -2.554 -0.780 -6.190 487 HD13 ILE 69 3HD1 ILE 69 -2.457 0.706 -5.247 488 H ARG 70 H ARG 70 2.201 1.854 -7.890 489 HA ARG 70 HA ARG 70 4.879 0.935 -7.196 490 HB2 ARG 70 1HB ARG 70 4.218 0.270 -9.616 491 HB3 ARG 70 2HB ARG 70 4.401 1.983 -9.969 492 HG2 ARG 70 1HG ARG 70 6.684 1.956 -9.552 493 HG3 ARG 70 2HG ARG 70 6.593 0.463 -8.616 494 HD2 ARG 70 1HD ARG 70 7.472 -0.327 -10.580 495 HD3 ARG 70 2HD ARG 70 5.750 -0.536 -10.892 496 HE ARG 70 HE ARG 70 6.552 2.006 -11.785 497 HH11 ARG 70 1HH1 ARG 70 6.933 -1.365 -12.568 498 HH12 ARG 70 2HH1 ARG 70 7.166 -1.079 -14.261 499 HH21 ARG 70 1HH2 ARG 70 6.858 2.394 -14.011 500 HH22 ARG 70 2HH2 ARG 70 7.124 1.059 -15.081 501 H PHE 71 H PHE 71 5.904 2.540 -6.216 502 HA PHE 71 HA PHE 71 5.825 5.231 -7.223 503 HB2 PHE 71 1HB PHE 71 5.040 6.190 -5.022 504 HB3 PHE 71 2HB PHE 71 3.798 5.380 -5.970 505 HD1 PHE 71 1HD PHE 71 6.255 4.677 -3.258 506 HD2 PHE 71 2HD PHE 71 2.426 3.858 -4.927 507 HE1 PHE 71 1HE PHE 71 5.723 3.247 -1.327 508 HE2 PHE 71 2HE PHE 71 1.888 2.427 -2.999 509 HZ PHE 71 HZ PHE 71 3.537 2.121 -1.195 510 H ILE 72 H ILE 72 7.518 6.488 -6.472 511 HA ILE 72 HA ILE 72 9.439 5.084 -4.735 512 HB ILE 72 HB ILE 72 9.919 7.002 -7.009 513 HG12 ILE 72 1HG1 ILE 72 11.092 4.260 -6.578 514 HG13 ILE 72 2HG1 ILE 72 9.544 4.492 -7.382 515 HG21 ILE 72 1HG2 ILE 72 11.568 6.408 -4.662 516 HG22 ILE 72 2HG2 ILE 72 12.400 6.229 -6.206 517 HG23 ILE 72 3HG2 ILE 72 11.639 7.764 -5.787 518 HD11 ILE 72 1HD1 ILE 72 11.813 4.319 -8.717 519 HD12 ILE 72 2HD1 ILE 72 10.493 5.361 -9.251 520 HD13 ILE 72 3HD1 ILE 72 11.860 6.049 -8.375 521 HA PRO 73 HA PRO 73 8.746 8.417 -1.883 522 HB2 PRO 73 1HB PRO 73 10.681 7.709 -0.115 523 HB3 PRO 73 2HB PRO 73 9.130 6.868 -0.230 524 HG2 PRO 73 1HG PRO 73 11.788 6.107 -1.380 525 HG3 PRO 73 2HG PRO 73 10.584 5.086 -0.571 526 HD2 PRO 73 1HD PRO 73 10.843 5.179 -3.265 527 HD3 PRO 73 2HD PRO 73 9.283 4.904 -2.465 528 H HIS 74 H HIS 74 9.414 10.218 -3.051 529 HA HIS 74 HA HIS 74 12.128 10.755 -3.699 530 HB2 HIS 74 1HB HIS 74 9.719 12.577 -3.544 531 HB3 HIS 74 2HB HIS 74 11.289 13.067 -4.174 532 HD1 HIS 74 1HD HIS 74 12.126 11.319 -6.219 533 HD2 HIS 74 2HD HIS 74 8.058 11.771 -5.506 534 HE1 HIS 74 1HE HIS 74 10.986 10.550 -8.324 535 HE2 HIS 74 2HE HIS 74 8.529 10.912 -7.900 536 H GLU 75 H GLU 75 10.597 10.710 -0.768 537 HA GLU 75 HA GLU 75 12.754 12.186 0.482 538 HB2 GLU 75 1HB GLU 75 11.288 14.021 0.234 539 HB3 GLU 75 2HB GLU 75 9.877 13.055 0.644 540 HG2 GLU 75 1HG GLU 75 10.550 12.934 2.939 541 HG3 GLU 75 2HG GLU 75 12.085 13.720 2.575 542 H ASN 76 H ASN 76 13.142 11.570 2.597 543 HA ASN 76 HA ASN 76 12.210 9.003 3.353 544 HB2 ASN 76 1HB ASN 76 13.957 11.079 4.623 545 HB3 ASN 76 2HB ASN 76 13.397 9.715 5.587 546 HD21 ASN 76 1HD2 ASN 76 13.473 7.644 3.889 547 HD22 ASN 76 2HD2 ASN 76 15.086 7.360 3.338 548 H GLY 77 H GLY 77 11.487 8.703 5.769 549 HA2 GLY 77 1HA GLY 77 10.119 9.568 7.558 550 HA3 GLY 77 2HA GLY 77 9.394 10.678 6.404 551 H VAL 78 H VAL 78 7.952 8.976 8.154 552 HA VAL 78 HA VAL 78 7.026 6.686 6.684 553 HB VAL 78 HB VAL 78 5.865 8.023 9.132 554 HG11 VAL 78 1HG1 VAL 78 5.100 5.591 7.589 555 HG12 VAL 78 2HG1 VAL 78 4.909 5.586 9.344 556 HG13 VAL 78 3HG1 VAL 78 4.079 6.800 8.369 557 HG21 VAL 78 1HG2 VAL 78 7.133 6.636 10.444 558 HG22 VAL 78 2HG2 VAL 78 7.296 5.411 9.186 559 HG23 VAL 78 3HG2 VAL 78 8.244 6.896 9.099 560 H HIS 79 H HIS 79 6.086 7.216 4.773 561 HA HIS 79 HA HIS 79 4.277 9.423 4.499 562 HB2 HIS 79 1HB HIS 79 4.844 7.123 2.616 563 HB3 HIS 79 2HB HIS 79 3.949 8.584 2.207 564 HD1 HIS 79 1HD HIS 79 6.982 8.996 4.299 565 HD2 HIS 79 2HD HIS 79 5.947 9.177 0.279 566 HE1 HIS 79 1HE HIS 79 8.924 10.109 3.154 567 HE2 HIS 79 2HE HIS 79 8.239 10.285 0.736 568 H SER 80 H SER 80 2.057 9.087 3.569 569 HA SER 80 HA SER 80 0.726 6.852 4.955 570 HB2 SER 80 1HB SER 80 -0.002 9.735 4.655 571 HB3 SER 80 2HB SER 80 -1.301 8.546 4.747 572 HG SER 80 HG SER 80 0.803 8.562 6.626 573 H ILE 81 H ILE 81 0.026 5.365 3.585 574 HA ILE 81 HA ILE 81 -0.569 6.079 0.823 575 HB ILE 81 HB ILE 81 -0.771 3.303 1.944 576 HG12 ILE 81 1HG1 ILE 81 1.418 4.387 2.613 577 HG13 ILE 81 2HG1 ILE 81 1.565 2.933 1.631 578 HG21 ILE 81 1HG2 ILE 81 -1.575 3.545 -0.289 579 HG22 ILE 81 2HG2 ILE 81 -0.143 4.456 -0.765 580 HG23 ILE 81 3HG2 ILE 81 -0.007 2.742 -0.371 581 HD11 ILE 81 1HD1 ILE 81 1.585 5.629 0.349 582 HD12 ILE 81 2HD1 ILE 81 3.042 4.973 1.097 583 HD13 ILE 81 3HD1 ILE 81 2.265 4.108 -0.229 584 H ASP 82 H ASP 82 -2.554 6.840 0.473 585 HA ASP 82 HA ASP 82 -4.805 5.971 2.070 586 HB2 ASP 82 1HB ASP 82 -4.328 8.072 0.008 587 HB3 ASP 82 2HB ASP 82 -5.982 7.517 0.253 588 H VAL 83 H VAL 83 -5.755 4.097 1.634 589 HA VAL 83 HA VAL 83 -5.997 3.260 -1.181 590 HB VAL 83 HB VAL 83 -6.058 1.533 1.298 591 HG11 VAL 83 1HG1 VAL 83 -7.214 0.162 -0.051 592 HG12 VAL 83 2HG1 VAL 83 -6.759 1.050 -1.507 593 HG13 VAL 83 3HG1 VAL 83 -5.652 -0.135 -0.813 594 HG21 VAL 83 1HG2 VAL 83 -3.921 2.135 -0.717 595 HG22 VAL 83 2HG2 VAL 83 -3.825 2.162 1.043 596 HG23 VAL 83 3HG2 VAL 83 -3.924 0.622 0.190 597 H LYS 84 H LYS 84 -7.962 3.211 -2.042 598 HA LYS 84 HA LYS 84 -10.289 2.949 -0.261 599 HB2 LYS 84 1HB LYS 84 -9.778 5.003 -2.386 600 HB3 LYS 84 2HB LYS 84 -11.425 4.517 -2.010 601 HG2 LYS 84 1HG LYS 84 -10.963 5.112 0.377 602 HG3 LYS 84 2HG LYS 84 -9.424 5.790 -0.161 603 HD2 LYS 84 1HD LYS 84 -11.917 6.656 -1.539 604 HD3 LYS 84 2HD LYS 84 -11.584 7.291 0.074 605 HE2 LYS 84 1HE LYS 84 -9.743 7.452 -2.311 606 HE3 LYS 84 2HE LYS 84 -10.718 8.772 -1.669 607 HZ1 LYS 84 1HZ LYS 84 -8.997 9.255 -0.381 608 HZ2 LYS 84 2HZ LYS 84 -8.174 7.843 -0.814 609 HZ3 LYS 84 3HZ LYS 84 -9.276 7.819 0.469 610 H PHE 85 H PHE 85 -12.076 1.872 -1.115 611 HA PHE 85 HA PHE 85 -11.659 0.576 -3.726 612 HB2 PHE 85 1HB PHE 85 -11.195 -1.030 -1.930 613 HB3 PHE 85 2HB PHE 85 -12.777 -0.709 -1.226 614 HD1 PHE 85 1HD PHE 85 -11.511 -1.493 -4.651 615 HD2 PHE 85 2HD PHE 85 -14.248 -2.432 -1.530 616 HE1 PHE 85 1HE PHE 85 -12.485 -3.271 -6.045 617 HE2 PHE 85 2HE PHE 85 -15.226 -4.212 -2.919 618 HZ PHE 85 HZ PHE 85 -14.345 -4.634 -5.179 619 H ASN 86 H ASN 86 -13.103 1.599 -4.984 620 HA ASN 86 HA ASN 86 -15.072 2.432 -5.772 621 HB2 ASN 86 1HB ASN 86 -16.228 0.204 -4.081 622 HB3 ASN 86 2HB ASN 86 -17.046 1.024 -5.408 623 HD21 ASN 86 1HD2 ASN 86 -17.012 -0.002 -7.262 624 HD22 ASN 86 2HD2 ASN 86 -15.818 -1.139 -7.779 625 H GLY 87 H GLY 87 -14.108 3.879 -3.629 626 HA2 GLY 87 1HA GLY 87 -14.864 5.627 -2.324 627 HA3 GLY 87 2HA GLY 87 -16.509 5.156 -2.724 628 H ALA 88 H ALA 88 -13.948 3.287 -1.132 629 HA ALA 88 HA ALA 88 -15.276 3.483 1.433 630 HB1 ALA 88 1HB ALA 88 -16.083 1.451 -0.249 631 HB2 ALA 88 2HB ALA 88 -14.901 0.673 0.804 632 HB3 ALA 88 3HB ALA 88 -16.293 1.501 1.502 633 H HIS 89 H HIS 89 -13.583 3.960 2.675 634 HA HIS 89 HA HIS 89 -10.915 3.304 2.135 635 HB2 HIS 89 1HB HIS 89 -12.402 4.380 4.475 636 HB3 HIS 89 2HB HIS 89 -10.792 3.733 4.775 637 HD1 HIS 89 1HD HIS 89 -8.926 5.322 4.421 638 HD2 HIS 89 2HD HIS 89 -12.347 6.463 2.359 639 HE1 HIS 89 1HE HIS 89 -8.381 7.554 3.400 640 HE2 HIS 89 2HE HIS 89 -10.495 8.264 2.228 641 H ILE 90 H ILE 90 -9.580 1.675 2.787 642 HA ILE 90 HA ILE 90 -10.875 -0.761 3.690 643 HB ILE 90 HB ILE 90 -8.853 -1.902 3.128 644 HG12 ILE 90 1HG1 ILE 90 -7.489 0.697 2.475 645 HG13 ILE 90 2HG1 ILE 90 -7.417 0.025 4.100 646 HG21 ILE 90 1HG2 ILE 90 -8.903 -1.632 0.850 647 HG22 ILE 90 2HG2 ILE 90 -10.397 -0.817 1.309 648 HG23 ILE 90 3HG2 ILE 90 -8.952 0.128 0.950 649 HD11 ILE 90 1HD1 ILE 90 -6.763 -1.989 2.168 650 HD12 ILE 90 2HD1 ILE 90 -5.756 -0.559 1.939 651 HD13 ILE 90 3HD1 ILE 90 -5.804 -1.362 3.508 652 HA PRO 91 HA PRO 91 -9.637 -0.559 7.900 653 HB2 PRO 91 1HB PRO 91 -9.320 -3.198 8.454 654 HB3 PRO 91 2HB PRO 91 -10.904 -2.448 8.228 655 HG2 PRO 91 1HG PRO 91 -9.268 -4.040 6.291 656 HG3 PRO 91 2HG PRO 91 -11.011 -4.116 6.611 657 HD2 PRO 91 1HD PRO 91 -9.976 -2.798 4.484 658 HD3 PRO 91 2HD PRO 91 -11.458 -2.270 5.306 659 H GLY 92 H GLY 92 -7.652 0.391 8.093 660 HA2 GLY 92 1HA GLY 92 -5.469 -0.392 9.109 661 HA3 GLY 92 2HA GLY 92 -5.294 -1.325 7.630 662 H SER 93 H SER 93 -6.702 1.174 6.362 663 HA SER 93 HA SER 93 -4.182 2.492 5.720 664 HB2 SER 93 1HB SER 93 -5.226 2.169 3.711 665 HB3 SER 93 2HB SER 93 -6.840 2.239 4.416 666 HG SER 93 HG SER 93 -6.906 4.311 4.045 667 HA PRO 94 HA PRO 94 -3.848 4.483 4.470 668 HB2 PRO 94 1HB PRO 94 -1.951 6.247 5.281 669 HB3 PRO 94 2HB PRO 94 -3.462 6.747 4.514 670 HG2 PRO 94 1HG PRO 94 -2.738 6.701 7.418 671 HG3 PRO 94 2HG PRO 94 -3.599 7.950 6.499 672 HD2 PRO 94 1HD PRO 94 -4.879 6.152 8.069 673 HD3 PRO 94 2HD PRO 94 -5.601 6.811 6.587 674 H PHE 95 H PHE 95 -2.059 3.239 4.140 675 HA PHE 95 HA PHE 95 -1.066 1.725 6.369 676 HB2 PHE 95 1HB PHE 95 -0.559 1.685 3.406 677 HB3 PHE 95 2HB PHE 95 0.434 0.733 4.503 678 HD1 PHE 95 1HD PHE 95 -1.134 -0.560 6.335 679 HD2 PHE 95 2HD PHE 95 -2.227 0.524 2.367 680 HE1 PHE 95 1HE PHE 95 -2.825 -2.347 6.316 681 HE2 PHE 95 2HE PHE 95 -3.921 -1.260 2.342 682 HZ PHE 95 HZ PHE 95 -4.222 -2.698 4.319 683 H LYS 96 H LYS 96 0.283 2.758 7.716 684 HA LYS 96 HA LYS 96 2.129 4.759 6.897 685 HB2 LYS 96 1HB LYS 96 1.987 3.160 9.460 686 HB3 LYS 96 2HB LYS 96 2.997 4.578 9.212 687 HG2 LYS 96 1HG LYS 96 0.037 4.728 8.810 688 HG3 LYS 96 2HG LYS 96 0.741 4.843 10.424 689 HD2 LYS 96 1HD LYS 96 2.195 6.692 9.563 690 HD3 LYS 96 2HD LYS 96 1.268 6.641 8.062 691 HE2 LYS 96 1HE LYS 96 0.242 8.337 9.285 692 HE3 LYS 96 2HE LYS 96 -0.793 6.939 9.568 693 HZ1 LYS 96 1HZ LYS 96 1.292 7.104 11.500 694 HZ2 LYS 96 2HZ LYS 96 -0.381 7.030 11.733 695 HZ3 LYS 96 3HZ LYS 96 0.371 8.523 11.478 696 H ILE 97 H ILE 97 3.761 4.254 5.573 697 HA ILE 97 HA ILE 97 5.292 1.798 6.105 698 HB ILE 97 HB ILE 97 6.168 2.038 3.808 699 HG12 ILE 97 1HG1 ILE 97 4.212 4.341 3.677 700 HG13 ILE 97 2HG1 ILE 97 5.963 4.440 3.525 701 HG21 ILE 97 1HG2 ILE 97 4.270 0.599 4.189 702 HG22 ILE 97 2HG2 ILE 97 3.166 1.966 4.058 703 HG23 ILE 97 3HG2 ILE 97 4.074 1.429 2.645 704 HD11 ILE 97 1HD1 ILE 97 5.744 2.989 1.480 705 HD12 ILE 97 2HD1 ILE 97 4.003 3.250 1.592 706 HD13 ILE 97 3HD1 ILE 97 5.086 4.620 1.350 707 H ARG 98 H ARG 98 7.360 1.915 6.732 708 HA ARG 98 HA ARG 98 8.508 4.541 7.198 709 HB2 ARG 98 1HB ARG 98 8.571 2.780 8.949 710 HB3 ARG 98 2HB ARG 98 9.600 1.812 7.901 711 HG2 ARG 98 1HG ARG 98 11.230 3.736 7.925 712 HG3 ARG 98 2HG ARG 98 10.244 4.437 9.210 713 HD2 ARG 98 1HD ARG 98 11.469 1.684 9.311 714 HD3 ARG 98 2HD ARG 98 12.199 3.123 10.023 715 HE ARG 98 HE ARG 98 9.621 2.935 11.031 716 HH11 ARG 98 1HH1 ARG 98 12.570 1.087 11.102 717 HH12 ARG 98 2HH1 ARG 98 12.254 0.398 12.661 718 HH21 ARG 98 1HH2 ARG 98 9.193 2.036 13.083 719 HH22 ARG 98 2HH2 ARG 98 10.333 0.938 13.786 720 H VAL 99 H VAL 99 9.859 5.490 5.833 721 HA VAL 99 HA VAL 99 11.278 3.817 3.866 722 HB VAL 99 HB VAL 99 10.505 6.731 3.654 723 HG11 VAL 99 1HG1 VAL 99 12.671 5.842 2.524 724 HG12 VAL 99 2HG1 VAL 99 11.551 5.075 1.396 725 HG13 VAL 99 3HG1 VAL 99 11.544 6.828 1.593 726 HG21 VAL 99 1HG2 VAL 99 8.615 5.147 3.472 727 HG22 VAL 99 2HG2 VAL 99 8.924 6.020 1.972 728 HG23 VAL 99 3HG2 VAL 99 9.448 4.345 2.141 729 H GLY 100 H GLY 100 13.365 3.561 4.296 730 HA2 GLY 100 1HA GLY 100 15.558 4.567 4.381 731 HA3 GLY 100 2HA GLY 100 14.869 5.873 5.335 732 H GLU 101 H GLU 101 16.240 2.709 5.383 733 HA GLU 101 HA GLU 101 15.650 2.262 8.184 734 HB2 GLU 101 1HB GLU 101 15.781 0.417 6.473 735 HB3 GLU 101 2HB GLU 101 17.515 0.692 6.404 736 HG2 GLU 101 1HG GLU 101 17.749 0.093 8.725 737 HG3 GLU 101 2HG GLU 101 16.001 -0.063 8.892 738 H GLN 102 H GLN 102 16.858 2.943 9.820 739 HA GLN 102 HA GLN 102 19.201 4.488 9.409 740 HB2 GLN 102 1HB GLN 102 19.341 4.527 11.878 741 HB3 GLN 102 2HB GLN 102 17.740 4.947 11.285 742 HG2 GLN 102 1HG GLN 102 16.854 2.848 11.910 743 HG3 GLN 102 2HG GLN 102 18.459 2.180 12.201 744 HE21 GLN 102 1HE2 GLN 102 16.132 2.366 13.967 745 HE22 GLN 102 2HE2 GLN 102 16.667 3.229 15.365 746 H SER 103 H SER 103 21.322 4.064 10.318 747 HA SER 103 HA SER 103 22.249 1.444 9.625 748 HB2 SER 103 1HB SER 103 23.542 3.979 10.565 749 HB3 SER 103 2HB SER 103 24.460 2.474 10.608 750 HG SER 103 HG SER 103 23.081 3.078 8.262 751 H GLN 104 H GLN 104 22.469 -0.264 10.905 752 HA GLN 104 HA GLN 104 21.790 -0.098 13.686 753 HB2 GLN 104 1HB GLN 104 21.933 -2.479 13.703 754 HB3 GLN 104 2HB GLN 104 21.193 -2.018 12.176 755 HG2 GLN 104 1HG GLN 104 23.065 -2.587 10.945 756 HG3 GLN 104 2HG GLN 104 24.138 -2.478 12.340 757 HE21 GLN 104 1HE2 GLN 104 24.259 -4.639 10.694 758 HE22 GLN 104 2HE2 GLN 104 23.649 -6.037 11.506 759 H ALA 105 H ALA 105 23.151 -1.031 15.400 760 HA ALA 105 HA ALA 105 26.031 -0.858 14.906 761 HB1 ALA 105 1HB ALA 105 26.456 0.700 16.610 762 HB2 ALA 105 2HB ALA 105 25.096 1.371 15.708 763 HB3 ALA 105 3HB ALA 105 24.819 0.569 17.254 764 H GLY 106 H GLY 106 27.302 -1.637 16.818 765 HA2 GLY 106 1HA GLY 106 27.731 -3.177 18.476 766 HA3 GLY 106 2HA GLY 106 26.014 -3.170 18.847 767 H SER 107 H SER 107 28.577 -4.897 17.452 768 HA SER 107 HA SER 107 27.136 -6.563 15.672 769 HB2 SER 107 1HB SER 107 29.707 -6.196 15.912 770 HB3 SER 107 2HB SER 107 29.607 -7.482 17.113 771 HG SER 107 HG SER 107 29.349 -7.596 14.365 772 H GLY 108 H GLY 108 25.824 -8.228 16.051 773 HA2 GLY 108 1HA GLY 108 25.999 -9.602 18.650 774 HA3 GLY 108 2HA GLY 108 24.450 -8.987 18.093 775 HA PRO 109 HA PRO 109 23.732 -12.877 16.186 776 HB2 PRO 109 1HB PRO 109 21.887 -12.135 14.337 777 HB3 PRO 109 2HB PRO 109 21.526 -12.247 16.064 778 HG2 PRO 109 1HG PRO 109 22.171 -9.832 14.416 779 HG3 PRO 109 2HG PRO 109 20.931 -10.034 15.668 780 HD2 PRO 109 1HD PRO 109 23.295 -8.802 16.144 781 HD3 PRO 109 2HD PRO 109 22.438 -9.738 17.386 782 H SER 110 H SER 110 25.250 -13.778 14.939 783 HA SER 110 HA SER 110 25.500 -12.909 12.172 784 HB2 SER 110 1HB SER 110 27.741 -12.837 14.174 785 HB3 SER 110 2HB SER 110 28.075 -13.116 12.465 786 HG SER 110 HG SER 110 26.412 -10.979 13.140 787 H SER 111 H SER 111 26.830 -14.463 10.887 788 HA SER 111 HA SER 111 26.888 -17.155 12.054 789 HB2 SER 111 1HB SER 111 24.769 -16.909 10.797 790 HB3 SER 111 2HB SER 111 25.690 -16.492 9.352 791 HG SER 111 HG SER 111 26.289 -18.526 9.123 792 H GLY 112 H GLY 112 28.482 -18.505 11.275 793 HA2 GLY 112 1HA GLY 112 29.969 -18.823 9.207 794 HA3 GLY 112 2HA GLY 112 30.485 -17.182 9.567 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -25.276 2.066 20.916 2 HA2 GLY 1 1HA GLY 1 -23.371 3.683 19.370 3 HA3 GLY 1 2HA GLY 1 -22.949 2.464 20.563 4 H SER 2 H SER 2 -25.112 2.338 17.744 5 HA SER 2 HA SER 2 -23.736 -0.099 16.889 6 HB2 SER 2 1HB SER 2 -26.443 1.072 16.384 7 HB3 SER 2 2HB SER 2 -25.767 -0.049 15.202 8 HG SER 2 HG SER 2 -25.655 -1.617 16.773 9 H SER 3 H SER 3 -22.925 -0.376 14.804 10 HA SER 3 HA SER 3 -22.562 2.107 13.257 11 HB2 SER 3 1HB SER 3 -20.321 1.332 12.643 12 HB3 SER 3 2HB SER 3 -20.475 1.441 14.396 13 HG SER 3 HG SER 3 -19.612 -0.600 13.156 14 H GLY 4 H GLY 4 -22.760 1.990 11.053 15 HA2 GLY 4 1HA GLY 4 -22.747 -0.401 9.549 16 HA3 GLY 4 2HA GLY 4 -24.405 0.021 9.950 17 H SER 5 H SER 5 -22.699 0.006 7.404 18 HA SER 5 HA SER 5 -23.922 2.316 6.237 19 HB2 SER 5 1HB SER 5 -21.019 2.341 6.914 20 HB3 SER 5 2HB SER 5 -21.505 3.026 5.364 21 HG SER 5 HG SER 5 -22.861 3.754 7.717 22 H SER 6 H SER 6 -23.351 2.499 3.880 23 HA SER 6 HA SER 6 -23.720 0.045 2.600 24 HB2 SER 6 1HB SER 6 -22.636 2.611 1.412 25 HB3 SER 6 2HB SER 6 -23.328 1.265 0.507 26 HG SER 6 HG SER 6 -24.632 3.002 2.325 27 H GLY 7 H GLY 7 -20.815 2.119 2.419 28 HA2 GLY 7 1HA GLY 7 -19.196 0.122 1.239 29 HA3 GLY 7 2HA GLY 7 -18.618 1.595 2.002 30 H SER 8 H SER 8 -16.885 -0.098 2.518 31 HA SER 8 HA SER 8 -15.790 -1.375 4.052 32 HB2 SER 8 1HB SER 8 -17.771 0.102 5.769 33 HB3 SER 8 2HB SER 8 -16.647 -1.060 6.475 34 HG SER 8 HG SER 8 -15.694 0.954 6.538 35 H ASP 9 H ASP 9 -17.619 -2.779 2.555 36 HA ASP 9 HA ASP 9 -18.785 -4.658 4.503 37 HB2 ASP 9 1HB ASP 9 -20.548 -3.730 3.183 38 HB3 ASP 9 2HB ASP 9 -19.641 -3.966 1.692 39 H ASP 10 H ASP 10 -17.198 -4.459 1.330 40 HA ASP 10 HA ASP 10 -16.250 -7.220 1.719 41 HB2 ASP 10 1HB ASP 10 -16.657 -5.651 -0.834 42 HB3 ASP 10 2HB ASP 10 -15.927 -7.252 -0.756 43 H ALA 11 H ALA 11 -15.323 -3.940 1.429 44 HA ALA 11 HA ALA 11 -12.738 -4.141 0.398 45 HB1 ALA 11 1HB ALA 11 -12.735 -1.947 0.745 46 HB2 ALA 11 2HB ALA 11 -14.327 -2.125 1.485 47 HB3 ALA 11 3HB ALA 11 -12.878 -2.163 2.490 48 H ARG 12 H ARG 12 -14.009 -5.129 3.441 49 HA ARG 12 HA ARG 12 -11.633 -5.043 4.975 50 HB2 ARG 12 1HB ARG 12 -12.794 -6.554 6.509 51 HB3 ARG 12 2HB ARG 12 -13.848 -5.242 5.999 52 HG2 ARG 12 1HG ARG 12 -15.003 -6.696 4.470 53 HG3 ARG 12 2HG ARG 12 -13.876 -8.009 4.815 54 HD2 ARG 12 1HD ARG 12 -15.464 -6.737 7.012 55 HD3 ARG 12 2HD ARG 12 -16.181 -7.983 5.991 56 HE ARG 12 HE ARG 12 -13.721 -8.925 6.921 57 HH11 ARG 12 1HH1 ARG 12 -16.863 -8.075 8.155 58 HH12 ARG 12 2HH1 ARG 12 -16.788 -9.189 9.480 59 HH21 ARG 12 1HH2 ARG 12 -13.610 -10.396 8.662 60 HH22 ARG 12 2HH2 ARG 12 -14.937 -10.507 9.768 61 H ARG 13 H ARG 13 -12.704 -7.124 2.475 62 HA ARG 13 HA ARG 13 -11.096 -9.387 3.245 63 HB2 ARG 13 1HB ARG 13 -12.444 -8.787 0.606 64 HB3 ARG 13 2HB ARG 13 -11.776 -10.338 1.098 65 HG2 ARG 13 1HG ARG 13 -13.457 -10.679 2.697 66 HG3 ARG 13 2HG ARG 13 -13.963 -8.989 2.645 67 HD2 ARG 13 1HD ARG 13 -15.092 -9.249 0.656 68 HD3 ARG 13 2HD ARG 13 -14.110 -10.626 0.158 69 HE ARG 13 HE ARG 13 -16.531 -10.699 1.679 70 HH11 ARG 13 1HH1 ARG 13 -13.513 -12.332 1.089 71 HH12 ARG 13 2HH1 ARG 13 -14.106 -13.883 1.583 72 HH21 ARG 13 1HH2 ARG 13 -17.323 -12.736 2.331 73 HH22 ARG 13 2HH2 ARG 13 -16.274 -14.112 2.288 74 H LEU 14 H LEU 14 -10.401 -6.411 1.948 75 HA LEU 14 HA LEU 14 -8.361 -7.212 0.083 76 HB2 LEU 14 1HB LEU 14 -8.752 -4.501 1.329 77 HB3 LEU 14 2HB LEU 14 -7.898 -4.883 -0.165 78 HG LEU 14 HG LEU 14 -10.873 -5.179 0.241 79 HD11 LEU 14 1HD1 LEU 14 -11.209 -3.123 -0.693 80 HD12 LEU 14 2HD1 LEU 14 -9.661 -3.127 -1.537 81 HD13 LEU 14 3HD1 LEU 14 -9.718 -2.814 0.198 82 HD21 LEU 14 1HD2 LEU 14 -10.601 -6.546 -1.522 83 HD22 LEU 14 2HD2 LEU 14 -8.997 -5.915 -1.897 84 HD23 LEU 14 3HD2 LEU 14 -10.435 -5.043 -2.429 85 H THR 15 H THR 15 -6.255 -7.538 0.460 86 HA THR 15 HA THR 15 -5.109 -6.664 3.015 87 HB THR 15 HB THR 15 -3.893 -8.882 3.149 88 HG1 THR 15 1HG THR 15 -4.304 -10.324 1.662 89 HG21 THR 15 1HG2 THR 15 -6.014 -8.150 4.443 90 HG22 THR 15 2HG2 THR 15 -5.558 -9.853 4.457 91 HG23 THR 15 3HG2 THR 15 -6.852 -9.296 3.398 92 H VAL 16 H VAL 16 -2.728 -6.749 3.030 93 HA VAL 16 HA VAL 16 -1.492 -6.751 0.375 94 HB VAL 16 HB VAL 16 -0.957 -4.504 2.308 95 HG11 VAL 16 1HG1 VAL 16 -0.487 -4.638 -0.661 96 HG12 VAL 16 2HG1 VAL 16 0.149 -3.461 0.489 97 HG13 VAL 16 3HG1 VAL 16 0.717 -5.130 0.529 98 HG21 VAL 16 1HG2 VAL 16 -3.179 -4.849 0.408 99 HG22 VAL 16 2HG2 VAL 16 -3.055 -3.822 1.837 100 HG23 VAL 16 3HG2 VAL 16 -2.331 -3.306 0.314 101 H THR 17 H THR 17 0.098 -8.182 0.522 102 HA THR 17 HA THR 17 1.577 -8.422 3.050 103 HB THR 17 HB THR 17 1.516 -10.359 0.728 104 HG1 THR 17 1HG THR 17 -0.441 -9.949 2.243 105 HG21 THR 17 1HG2 THR 17 2.297 -11.232 3.434 106 HG22 THR 17 2HG2 THR 17 3.437 -10.158 2.623 107 HG23 THR 17 3HG2 THR 17 2.961 -11.677 1.863 108 H SER 18 H SER 18 2.234 -8.672 -0.452 109 HA SER 18 HA SER 18 4.901 -8.597 -0.589 110 HB2 SER 18 1HB SER 18 2.836 -7.183 -2.232 111 HB3 SER 18 2HB SER 18 4.542 -6.882 -2.559 112 HG SER 18 HG SER 18 3.854 -8.602 -3.818 113 H LEU 19 H LEU 19 2.875 -5.895 0.368 114 HA LEU 19 HA LEU 19 4.698 -3.813 0.280 115 HB2 LEU 19 1HB LEU 19 2.409 -3.371 0.752 116 HB3 LEU 19 2HB LEU 19 2.451 -4.377 2.198 117 HG LEU 19 HG LEU 19 4.009 -2.705 3.218 118 HD11 LEU 19 1HD1 LEU 19 3.891 -1.633 0.554 119 HD12 LEU 19 2HD1 LEU 19 4.948 -1.193 1.895 120 HD13 LEU 19 3HD1 LEU 19 3.368 -0.428 1.731 121 HD21 LEU 19 1HD2 LEU 19 1.276 -2.721 3.070 122 HD22 LEU 19 2HD2 LEU 19 1.671 -1.068 2.599 123 HD23 LEU 19 3HD2 LEU 19 2.237 -1.704 4.144 124 H GLN 20 H GLN 20 6.181 -2.949 1.724 125 HA GLN 20 HA GLN 20 7.106 -4.813 3.808 126 HB2 GLN 20 1HB GLN 20 8.580 -4.141 1.750 127 HB3 GLN 20 2HB GLN 20 8.842 -2.659 2.659 128 HG2 GLN 20 1HG GLN 20 9.844 -3.836 4.456 129 HG3 GLN 20 2HG GLN 20 9.352 -5.393 3.793 130 HE21 GLN 20 1HE2 GLN 20 11.442 -6.181 3.738 131 HE22 GLN 20 2HE2 GLN 20 12.617 -5.622 2.603 132 H GLU 21 H GLU 21 6.560 -4.179 5.781 133 HA GLU 21 HA GLU 21 5.639 -1.637 6.480 134 HB2 GLU 21 1HB GLU 21 6.585 -4.016 8.017 135 HB3 GLU 21 2HB GLU 21 6.343 -2.501 8.875 136 HG2 GLU 21 1HG GLU 21 4.057 -2.474 8.436 137 HG3 GLU 21 2HG GLU 21 4.202 -3.643 7.124 138 H THR 22 H THR 22 8.851 -3.088 6.837 139 HA THR 22 HA THR 22 9.986 -0.398 7.034 140 HB THR 22 HB THR 22 11.487 -1.062 8.868 141 HG1 THR 22 1HG THR 22 10.643 -3.049 10.039 142 HG21 THR 22 1HG2 THR 22 9.074 -0.074 9.158 143 HG22 THR 22 2HG2 THR 22 9.992 -0.608 10.566 144 HG23 THR 22 3HG2 THR 22 8.740 -1.645 9.884 145 H GLY 23 H GLY 23 11.737 -0.164 5.788 146 HA2 GLY 23 1HA GLY 23 13.948 -1.518 5.377 147 HA3 GLY 23 2HA GLY 23 12.832 -2.561 4.509 148 H LEU 24 H LEU 24 11.179 -0.366 3.551 149 HA LEU 24 HA LEU 24 12.428 0.129 1.104 150 HB2 LEU 24 1HB LEU 24 10.265 1.812 2.350 151 HB3 LEU 24 2HB LEU 24 10.620 1.630 0.634 152 HG LEU 24 HG LEU 24 9.523 -0.524 2.442 153 HD11 LEU 24 1HD1 LEU 24 8.153 1.604 1.494 154 HD12 LEU 24 2HD1 LEU 24 7.445 0.016 1.782 155 HD13 LEU 24 3HD1 LEU 24 7.962 0.468 0.158 156 HD21 LEU 24 1HD2 LEU 24 9.477 -1.949 0.614 157 HD22 LEU 24 2HD2 LEU 24 11.035 -1.141 0.438 158 HD23 LEU 24 3HD2 LEU 24 9.661 -0.633 -0.546 159 H LYS 25 H LYS 25 14.085 1.397 0.633 160 HA LYS 25 HA LYS 25 14.863 3.522 2.461 161 HB2 LYS 25 1HB LYS 25 16.197 2.378 0.002 162 HB3 LYS 25 2HB LYS 25 16.871 3.684 0.968 163 HG2 LYS 25 1HG LYS 25 17.221 2.285 2.817 164 HG3 LYS 25 2HG LYS 25 16.171 1.024 2.166 165 HD2 LYS 25 1HD LYS 25 17.774 0.609 0.370 166 HD3 LYS 25 2HD LYS 25 18.817 1.889 0.996 167 HE2 LYS 25 1HE LYS 25 19.370 0.663 2.905 168 HE3 LYS 25 2HE LYS 25 17.994 -0.423 2.719 169 HZ1 LYS 25 1HZ LYS 25 20.282 -1.307 2.107 170 HZ2 LYS 25 2HZ LYS 25 20.172 -0.340 0.723 171 HZ3 LYS 25 3HZ LYS 25 19.034 -1.563 0.992 172 H VAL 26 H VAL 26 15.926 5.476 1.117 173 HA VAL 26 HA VAL 26 13.691 6.816 -0.084 174 HB VAL 26 HB VAL 26 15.500 7.875 1.390 175 HG11 VAL 26 1HG1 VAL 26 17.574 8.316 0.593 176 HG12 VAL 26 2HG1 VAL 26 17.247 6.877 -0.376 177 HG13 VAL 26 3HG1 VAL 26 17.020 8.482 -1.073 178 HG21 VAL 26 1HG2 VAL 26 13.771 9.159 0.245 179 HG22 VAL 26 2HG2 VAL 26 15.306 10.027 0.238 180 HG23 VAL 26 3HG2 VAL 26 14.755 9.199 -1.218 181 H ASN 27 H ASN 27 13.395 7.418 -2.193 182 HA ASN 27 HA ASN 27 13.532 7.312 -4.460 183 HB2 ASN 27 1HB ASN 27 16.476 7.178 -3.792 184 HB3 ASN 27 2HB ASN 27 15.867 7.286 -5.441 185 HD21 ASN 27 1HD2 ASN 27 13.900 9.059 -5.349 186 HD22 ASN 27 2HD2 ASN 27 14.461 10.598 -4.799 187 H GLN 28 H GLN 28 12.964 4.921 -3.085 188 HA GLN 28 HA GLN 28 14.238 2.921 -4.834 189 HB2 GLN 28 1HB GLN 28 13.405 2.815 -1.970 190 HB3 GLN 28 2HB GLN 28 13.310 1.342 -2.926 191 HG2 GLN 28 1HG GLN 28 15.762 1.936 -3.572 192 HG3 GLN 28 2HG GLN 28 15.702 2.918 -2.109 193 HE21 GLN 28 1HE2 GLN 28 17.505 0.989 -2.122 194 HE22 GLN 28 2HE2 GLN 28 17.028 -0.340 -1.127 195 HA PRO 29 HA PRO 29 10.189 2.487 -6.588 196 HB2 PRO 29 1HB PRO 29 10.747 0.328 -8.136 197 HB3 PRO 29 2HB PRO 29 11.270 1.966 -8.547 198 HG2 PRO 29 1HG PRO 29 12.817 -0.249 -7.257 199 HG3 PRO 29 2HG PRO 29 13.325 0.877 -8.529 200 HD2 PRO 29 1HD PRO 29 14.024 1.201 -5.934 201 HD3 PRO 29 2HD PRO 29 13.762 2.572 -7.030 202 H ALA 30 H ALA 30 9.121 1.868 -4.639 203 HA ALA 30 HA ALA 30 9.142 -0.964 -3.934 204 HB1 ALA 30 1HB ALA 30 9.251 0.896 -2.216 205 HB2 ALA 30 2HB ALA 30 7.552 1.201 -2.583 206 HB3 ALA 30 3HB ALA 30 8.047 -0.363 -1.935 207 H SER 31 H SER 31 7.718 -2.327 -4.771 208 HA SER 31 HA SER 31 5.059 -1.320 -5.525 209 HB2 SER 31 1HB SER 31 5.081 -2.669 -7.547 210 HB3 SER 31 2HB SER 31 6.479 -1.594 -7.551 211 HG SER 31 HG SER 31 7.067 -3.711 -8.140 212 H PHE 32 H PHE 32 3.378 -2.564 -4.920 213 HA PHE 32 HA PHE 32 3.861 -5.325 -4.089 214 HB2 PHE 32 1HB PHE 32 2.345 -4.784 -2.047 215 HB3 PHE 32 2HB PHE 32 4.052 -4.361 -1.976 216 HD1 PHE 32 2HD PHE 32 4.744 -1.997 -2.345 217 HD2 PHE 32 1HD PHE 32 0.665 -3.137 -1.922 218 HE1 PHE 32 2HE PHE 32 4.145 0.339 -1.857 219 HE2 PHE 32 1HE PHE 32 0.060 -0.803 -1.434 220 HZ PHE 32 HZ PHE 32 1.801 0.939 -1.400 221 H ALA 33 H ALA 33 1.785 -6.491 -3.658 222 HA ALA 33 HA ALA 33 -0.288 -5.525 -5.513 223 HB1 ALA 33 1HB ALA 33 -0.874 -8.141 -5.235 224 HB2 ALA 33 2HB ALA 33 0.204 -7.502 -6.477 225 HB3 ALA 33 3HB ALA 33 0.873 -8.182 -4.993 226 H VAL 34 H VAL 34 -2.502 -5.875 -4.975 227 HA VAL 34 HA VAL 34 -3.004 -6.268 -2.098 228 HB VAL 34 HB VAL 34 -4.412 -4.282 -3.887 229 HG11 VAL 34 1HG1 VAL 34 -4.709 -4.144 -0.963 230 HG12 VAL 34 2HG1 VAL 34 -5.902 -3.904 -2.241 231 HG13 VAL 34 3HG1 VAL 34 -5.466 -5.537 -1.736 232 HG21 VAL 34 1HG2 VAL 34 -3.132 -3.082 -1.647 233 HG22 VAL 34 2HG2 VAL 34 -1.949 -4.073 -2.501 234 HG23 VAL 34 3HG2 VAL 34 -2.831 -2.812 -3.363 235 H GLN 35 H GLN 35 -3.862 -8.279 -2.113 236 HA GLN 35 HA GLN 35 -5.573 -9.271 -4.147 237 HB2 GLN 35 1HB GLN 35 -4.185 -10.708 -2.671 238 HB3 GLN 35 2HB GLN 35 -5.228 -10.285 -1.320 239 HG2 GLN 35 1HG GLN 35 -6.092 -12.308 -1.952 240 HG3 GLN 35 2HG GLN 35 -7.124 -11.193 -2.846 241 HE21 GLN 35 1HE2 GLN 35 -5.125 -13.868 -3.045 242 HE22 GLN 35 2HE2 GLN 35 -4.963 -13.946 -4.763 243 H LEU 36 H LEU 36 -7.807 -9.768 -4.023 244 HA LEU 36 HA LEU 36 -9.309 -7.816 -2.450 245 HB2 LEU 36 1HB LEU 36 -10.322 -9.641 -4.621 246 HB3 LEU 36 2HB LEU 36 -11.138 -8.235 -3.940 247 HG LEU 36 HG LEU 36 -8.566 -8.058 -5.499 248 HD11 LEU 36 1HD1 LEU 36 -9.658 -8.127 -7.438 249 HD12 LEU 36 2HD1 LEU 36 -10.968 -7.114 -6.832 250 HD13 LEU 36 3HD1 LEU 36 -10.992 -8.853 -6.540 251 HD21 LEU 36 1HD2 LEU 36 -9.884 -5.703 -5.778 252 HD22 LEU 36 2HD2 LEU 36 -8.645 -6.018 -4.563 253 HD23 LEU 36 3HD2 LEU 36 -10.352 -6.164 -4.141 254 H ASN 37 H ASN 37 -9.259 -11.299 -3.135 255 HA ASN 37 HA ASN 37 -10.049 -13.093 -1.982 256 HB2 ASN 37 1HB ASN 37 -10.005 -11.192 0.373 257 HB3 ASN 37 2HB ASN 37 -10.089 -12.949 0.464 258 HD21 ASN 37 1HD2 ASN 37 -8.078 -10.236 0.247 259 HD22 ASN 37 2HD2 ASN 37 -6.571 -11.065 0.084 260 H GLY 38 H GLY 38 -11.910 -11.146 -3.208 261 HA2 GLY 38 1HA GLY 38 -14.280 -11.891 -3.329 262 HA3 GLY 38 2HA GLY 38 -14.296 -11.765 -1.576 263 H ALA 39 H ALA 39 -12.976 -9.552 -4.020 264 HA ALA 39 HA ALA 39 -15.055 -7.602 -3.403 265 HB1 ALA 39 1HB ALA 39 -12.964 -7.394 -1.852 266 HB2 ALA 39 2HB ALA 39 -12.235 -6.637 -3.269 267 HB3 ALA 39 3HB ALA 39 -13.695 -5.951 -2.556 268 H ARG 40 H ARG 40 -15.389 -6.080 -5.013 269 HA ARG 40 HA ARG 40 -13.626 -6.136 -7.347 270 HB2 ARG 40 1HB ARG 40 -15.274 -7.761 -7.947 271 HB3 ARG 40 2HB ARG 40 -16.583 -6.731 -7.384 272 HG2 ARG 40 1HG ARG 40 -16.643 -6.598 -9.721 273 HG3 ARG 40 2HG ARG 40 -15.882 -5.097 -9.191 274 HD2 ARG 40 1HD ARG 40 -13.701 -5.948 -9.730 275 HD3 ARG 40 2HD ARG 40 -14.364 -7.543 -10.084 276 HE ARG 40 HE ARG 40 -14.845 -6.800 -12.181 277 HH11 ARG 40 1HH1 ARG 40 -14.568 -4.043 -10.073 278 HH12 ARG 40 2HH1 ARG 40 -14.761 -2.885 -11.347 279 HH21 ARG 40 1HH2 ARG 40 -15.101 -5.286 -13.867 280 HH22 ARG 40 2HH2 ARG 40 -15.065 -3.593 -13.505 281 H GLY 41 H GLY 41 -12.993 -4.061 -7.362 282 HA2 GLY 41 1HA GLY 41 -14.933 -2.023 -7.961 283 HA3 GLY 41 2HA GLY 41 -14.216 -1.837 -6.368 284 H VAL 42 H VAL 42 -12.945 -0.089 -6.609 285 HA VAL 42 HA VAL 42 -10.842 -0.246 -8.666 286 HB VAL 42 HB VAL 42 -12.231 2.274 -7.744 287 HG11 VAL 42 1HG1 VAL 42 -10.261 2.027 -9.996 288 HG12 VAL 42 2HG1 VAL 42 -10.831 3.485 -9.182 289 HG13 VAL 42 3HG1 VAL 42 -9.749 2.372 -8.344 290 HG21 VAL 42 1HG2 VAL 42 -13.523 0.729 -9.278 291 HG22 VAL 42 2HG2 VAL 42 -13.278 2.375 -9.862 292 HG23 VAL 42 3HG2 VAL 42 -12.290 1.058 -10.495 293 H ILE 43 H ILE 43 -8.799 0.161 -8.006 294 HA ILE 43 HA ILE 43 -8.420 0.693 -5.144 295 HB ILE 43 HB ILE 43 -6.534 -0.506 -7.175 296 HG12 ILE 43 1HG1 ILE 43 -8.228 -2.087 -6.563 297 HG13 ILE 43 2HG1 ILE 43 -6.768 -2.518 -5.678 298 HG21 ILE 43 1HG2 ILE 43 -5.349 -1.021 -4.836 299 HG22 ILE 43 2HG2 ILE 43 -4.992 0.414 -5.795 300 HG23 ILE 43 3HG2 ILE 43 -6.109 0.518 -4.434 301 HD11 ILE 43 1HD1 ILE 43 -7.740 -1.216 -3.736 302 HD12 ILE 43 2HD1 ILE 43 -9.254 -1.207 -4.639 303 HD13 ILE 43 3HD1 ILE 43 -8.528 -2.738 -4.151 304 H ASP 44 H ASP 44 -7.917 2.702 -4.603 305 HA ASP 44 HA ASP 44 -6.462 4.373 -6.538 306 HB2 ASP 44 1HB ASP 44 -8.707 5.174 -5.782 307 HB3 ASP 44 2HB ASP 44 -8.071 5.275 -4.142 308 H ALA 45 H ALA 45 -4.359 4.516 -6.160 309 HA ALA 45 HA ALA 45 -3.403 4.381 -3.380 310 HB1 ALA 45 1HB ALA 45 -2.063 3.703 -5.985 311 HB2 ALA 45 2HB ALA 45 -1.177 3.866 -4.468 312 HB3 ALA 45 3HB ALA 45 -2.428 2.633 -4.630 313 H ARG 46 H ARG 46 -2.391 6.075 -2.485 314 HA ARG 46 HA ARG 46 -1.130 8.110 -4.101 315 HB2 ARG 46 1HB ARG 46 -3.674 8.623 -2.582 316 HB3 ARG 46 2HB ARG 46 -2.515 9.913 -2.874 317 HG2 ARG 46 1HG ARG 46 -2.705 9.177 -5.354 318 HG3 ARG 46 2HG ARG 46 -4.205 8.413 -4.823 319 HD2 ARG 46 1HD ARG 46 -4.729 10.712 -3.769 320 HD3 ARG 46 2HD ARG 46 -3.465 11.316 -4.840 321 HE ARG 46 HE ARG 46 -6.114 10.608 -5.572 322 HH11 ARG 46 1HH1 ARG 46 -2.822 10.554 -6.706 323 HH12 ARG 46 2HH1 ARG 46 -3.261 10.602 -8.381 324 HH21 ARG 46 1HH2 ARG 46 -6.704 10.672 -7.774 325 HH22 ARG 46 2HH2 ARG 46 -5.470 10.671 -8.988 326 H VAL 47 H VAL 47 0.658 8.715 -3.083 327 HA VAL 47 HA VAL 47 0.914 8.163 -0.221 328 HB VAL 47 HB VAL 47 3.366 8.706 -0.666 329 HG11 VAL 47 1HG1 VAL 47 1.809 6.358 -1.470 330 HG12 VAL 47 2HG1 VAL 47 3.415 6.453 -2.195 331 HG13 VAL 47 3HG1 VAL 47 3.236 6.477 -0.441 332 HG21 VAL 47 1HG2 VAL 47 4.132 9.160 -2.736 333 HG22 VAL 47 2HG2 VAL 47 2.979 8.076 -3.516 334 HG23 VAL 47 3HG2 VAL 47 2.475 9.693 -3.022 335 H HIS 48 H HIS 48 1.471 9.704 1.284 336 HA HIS 48 HA HIS 48 1.263 12.499 0.375 337 HB2 HIS 48 1HB HIS 48 0.403 11.178 2.946 338 HB3 HIS 48 2HB HIS 48 0.562 12.925 2.796 339 HD1 HIS 48 1HD HIS 48 -1.539 14.065 2.192 340 HD2 HIS 48 2HD HIS 48 -1.460 10.151 0.801 341 HE1 HIS 48 1HE HIS 48 -3.776 13.692 1.105 342 HE2 HIS 48 2HE HIS 48 -3.737 11.291 0.346 343 H THR 49 H THR 49 3.064 13.647 0.503 344 HA THR 49 HA THR 49 5.345 12.654 1.970 345 HB THR 49 HB THR 49 6.502 14.674 1.047 346 HG1 THR 49 1HG THR 49 5.305 16.213 0.245 347 HG21 THR 49 1HG2 THR 49 7.002 13.381 -0.698 348 HG22 THR 49 2HG2 THR 49 5.424 13.684 -1.426 349 HG23 THR 49 3HG2 THR 49 5.627 12.357 -0.283 350 HA PRO 50 HA PRO 50 4.765 15.004 5.647 351 HB2 PRO 50 1HB PRO 50 7.342 15.138 6.490 352 HB3 PRO 50 2HB PRO 50 6.376 13.660 6.582 353 HG2 PRO 50 1HG PRO 50 8.416 14.465 4.545 354 HG3 PRO 50 2HG PRO 50 8.175 12.891 5.325 355 HD2 PRO 50 1HD PRO 50 7.285 13.430 2.825 356 HD3 PRO 50 2HD PRO 50 6.437 12.322 3.922 357 H SER 51 H SER 51 6.251 16.181 2.899 358 HA SER 51 HA SER 51 7.186 18.676 4.040 359 HB2 SER 51 1HB SER 51 7.618 19.258 1.614 360 HB3 SER 51 2HB SER 51 8.482 17.841 2.211 361 HG SER 51 HG SER 51 6.823 17.995 0.151 362 H GLY 52 H GLY 52 4.445 17.478 2.190 363 HA2 GLY 52 1HA GLY 52 2.331 18.704 2.772 364 HA3 GLY 52 2HA GLY 52 3.228 20.164 2.382 365 H ALA 53 H ALA 53 3.616 17.232 0.535 366 HA ALA 53 HA ALA 53 2.036 18.423 -1.647 367 HB1 ALA 53 1HB ALA 53 4.601 18.575 -1.848 368 HB2 ALA 53 2HB ALA 53 4.523 16.846 -2.190 369 HB3 ALA 53 3HB ALA 53 3.678 17.990 -3.233 370 H VAL 54 H VAL 54 0.532 17.122 -2.469 371 HA VAL 54 HA VAL 54 0.331 14.397 -1.530 372 HB VAL 54 HB VAL 54 -1.456 15.975 -3.387 373 HG11 VAL 54 1HG1 VAL 54 -1.654 13.589 -3.816 374 HG12 VAL 54 2HG1 VAL 54 -1.897 13.284 -2.095 375 HG13 VAL 54 3HG1 VAL 54 -3.100 14.194 -3.009 376 HG21 VAL 54 1HG2 VAL 54 -1.365 15.566 -0.443 377 HG22 VAL 54 2HG2 VAL 54 -1.793 17.003 -1.371 378 HG23 VAL 54 3HG2 VAL 54 -2.942 15.674 -1.224 379 H GLU 55 H GLU 55 1.641 12.961 -2.486 380 HA GLU 55 HA GLU 55 2.252 13.148 -5.314 381 HB2 GLU 55 1HB GLU 55 3.249 11.537 -3.016 382 HB3 GLU 55 2HB GLU 55 3.447 10.870 -4.631 383 HG2 GLU 55 1HG GLU 55 4.752 12.734 -5.326 384 HG3 GLU 55 2HG GLU 55 4.386 13.614 -3.844 385 H GLU 56 H GLU 56 2.099 11.163 -6.678 386 HA GLU 56 HA GLU 56 -0.390 9.698 -6.093 387 HB2 GLU 56 1HB GLU 56 -0.498 9.520 -8.675 388 HB3 GLU 56 2HB GLU 56 -0.968 11.031 -7.910 389 HG2 GLU 56 1HG GLU 56 1.401 11.820 -8.334 390 HG3 GLU 56 2HG GLU 56 1.576 10.404 -9.370 391 H CYS 57 H CYS 57 -0.549 7.579 -7.238 392 HA CYS 57 HA CYS 57 2.088 6.267 -7.323 393 HB2 CYS 57 1HB CYS 57 -0.545 4.977 -6.588 394 HB3 CYS 57 2HB CYS 57 1.055 4.255 -6.479 395 HG CYS 57 HG CYS 57 1.927 5.847 -4.392 396 H TYR 58 H TYR 58 1.631 3.931 -8.444 397 HA TYR 58 HA TYR 58 0.320 4.521 -11.016 398 HB2 TYR 58 1HB TYR 58 2.876 4.501 -11.022 399 HB3 TYR 58 2HB TYR 58 2.757 2.769 -10.730 400 HD1 TYR 58 2HD TYR 58 2.233 5.453 -13.164 401 HD2 TYR 58 1HD TYR 58 1.960 1.266 -12.463 402 HE1 TYR 58 2HE TYR 58 1.995 5.070 -15.582 403 HE2 TYR 58 1HE TYR 58 1.722 0.871 -14.879 404 HH TYR 58 HH TYR 58 2.368 2.089 -17.015 405 H VAL 59 H VAL 59 -1.467 3.325 -11.084 406 HA VAL 59 HA VAL 59 -1.237 0.456 -10.483 407 HB VAL 59 HB VAL 59 -2.364 1.291 -8.569 408 HG11 VAL 59 1HG1 VAL 59 -2.939 3.495 -9.710 409 HG12 VAL 59 2HG1 VAL 59 -4.397 2.685 -10.286 410 HG13 VAL 59 3HG1 VAL 59 -4.110 2.861 -8.554 411 HG21 VAL 59 1HG2 VAL 59 -4.669 0.348 -8.847 412 HG22 VAL 59 2HG2 VAL 59 -4.320 0.166 -10.566 413 HG23 VAL 59 3HG2 VAL 59 -3.367 -0.718 -9.374 414 H SER 60 H SER 60 -1.462 -0.475 -12.415 415 HA SER 60 HA SER 60 -2.914 0.655 -14.572 416 HB2 SER 60 1HB SER 60 -0.968 -1.090 -14.582 417 HB3 SER 60 2HB SER 60 -2.266 -2.273 -14.422 418 HG SER 60 HG SER 60 -2.560 -2.050 -16.479 419 H GLU 61 H GLU 61 -4.466 -1.127 -15.743 420 HA GLU 61 HA GLU 61 -6.900 -0.971 -14.371 421 HB2 GLU 61 1HB GLU 61 -5.943 -2.383 -16.815 422 HB3 GLU 61 2HB GLU 61 -7.488 -2.873 -16.135 423 HG2 GLU 61 1HG GLU 61 -7.986 -1.264 -17.766 424 HG3 GLU 61 2HG GLU 61 -8.155 -0.441 -16.216 425 H LEU 62 H LEU 62 -8.314 -2.972 -13.981 426 HA LEU 62 HA LEU 62 -7.057 -4.530 -11.943 427 HB2 LEU 62 1HB LEU 62 -9.277 -3.985 -11.506 428 HB3 LEU 62 2HB LEU 62 -9.802 -4.423 -13.131 429 HG LEU 62 HG LEU 62 -9.143 -6.840 -12.371 430 HD11 LEU 62 1HD1 LEU 62 -9.851 -6.979 -9.870 431 HD12 LEU 62 2HD1 LEU 62 -9.297 -5.306 -9.814 432 HD13 LEU 62 3HD1 LEU 62 -8.184 -6.588 -10.292 433 HD21 LEU 62 1HD2 LEU 62 -11.623 -5.449 -11.363 434 HD22 LEU 62 2HD2 LEU 62 -11.428 -7.187 -11.589 435 HD23 LEU 62 3HD2 LEU 62 -11.393 -6.106 -12.983 436 H ASP 63 H ASP 63 -5.559 -5.946 -12.681 437 HA ASP 63 HA ASP 63 -6.422 -7.886 -14.724 438 HB2 ASP 63 1HB ASP 63 -3.703 -6.794 -14.029 439 HB3 ASP 63 2HB ASP 63 -3.889 -8.295 -14.932 440 H SER 64 H SER 64 -6.427 -10.014 -14.255 441 HA SER 64 HA SER 64 -6.548 -11.877 -12.943 442 HB2 SER 64 1HB SER 64 -3.822 -10.762 -12.342 443 HB3 SER 64 2HB SER 64 -4.381 -12.235 -11.552 444 HG SER 64 HG SER 64 -4.659 -12.051 -14.323 445 H ASP 65 H ASP 65 -8.125 -10.005 -11.885 446 HA ASP 65 HA ASP 65 -8.942 -9.026 -9.956 447 HB2 ASP 65 1HB ASP 65 -9.502 -10.743 -8.281 448 HB3 ASP 65 2HB ASP 65 -9.821 -11.306 -9.919 449 H LYS 66 H LYS 66 -6.170 -8.488 -10.221 450 HA LYS 66 HA LYS 66 -5.520 -8.064 -7.413 451 HB2 LYS 66 1HB LYS 66 -3.726 -9.514 -9.357 452 HB3 LYS 66 2HB LYS 66 -3.118 -8.753 -7.893 453 HG2 LYS 66 1HG LYS 66 -4.496 -10.195 -6.528 454 HG3 LYS 66 2HG LYS 66 -5.217 -10.912 -7.971 455 HD2 LYS 66 1HD LYS 66 -3.269 -12.044 -8.535 456 HD3 LYS 66 2HD LYS 66 -2.249 -10.969 -7.576 457 HE2 LYS 66 1HE LYS 66 -2.887 -11.976 -5.562 458 HE3 LYS 66 2HE LYS 66 -4.303 -12.735 -6.287 459 HZ1 LYS 66 1HZ LYS 66 -2.724 -14.430 -6.008 460 HZ2 LYS 66 2HZ LYS 66 -1.461 -13.490 -6.625 461 HZ3 LYS 66 3HZ LYS 66 -2.675 -14.057 -7.658 462 H HIS 67 H HIS 67 -4.801 -6.057 -7.089 463 HA HIS 67 HA HIS 67 -4.090 -4.452 -9.436 464 HB2 HIS 67 1HB HIS 67 -5.107 -3.762 -6.691 465 HB3 HIS 67 2HB HIS 67 -4.359 -2.539 -7.714 466 HD1 HIS 67 1HD HIS 67 -5.715 -1.664 -9.692 467 HD2 HIS 67 2HD HIS 67 -7.614 -4.712 -7.603 468 HE1 HIS 67 1HE HIS 67 -8.077 -1.700 -10.554 469 HE2 HIS 67 2HE HIS 67 -9.229 -3.495 -9.215 470 H THR 68 H THR 68 -2.143 -3.476 -9.666 471 HA THR 68 HA THR 68 -0.132 -4.031 -7.584 472 HB THR 68 HB THR 68 0.346 -3.648 -10.546 473 HG1 THR 68 1HG THR 68 0.696 -6.060 -9.107 474 HG21 THR 68 1HG2 THR 68 2.557 -4.863 -9.593 475 HG22 THR 68 2HG2 THR 68 2.109 -3.894 -8.189 476 HG23 THR 68 3HG2 THR 68 2.396 -3.114 -9.743 477 H ILE 69 H ILE 69 0.809 -2.348 -6.627 478 HA ILE 69 HA ILE 69 0.416 0.318 -7.808 479 HB ILE 69 HB ILE 69 1.262 -0.035 -4.969 480 HG12 ILE 69 1HG1 ILE 69 -0.579 -1.605 -5.153 481 HG13 ILE 69 2HG1 ILE 69 -1.125 -0.170 -4.291 482 HG21 ILE 69 1HG2 ILE 69 0.223 2.048 -4.647 483 HG22 ILE 69 2HG2 ILE 69 1.044 2.179 -6.201 484 HG23 ILE 69 3HG2 ILE 69 -0.698 1.913 -6.145 485 HD11 ILE 69 1HD1 ILE 69 -1.545 -0.247 -7.220 486 HD12 ILE 69 2HD1 ILE 69 -2.546 -1.295 -6.214 487 HD13 ILE 69 3HD1 ILE 69 -2.545 0.448 -5.945 488 H ARG 70 H ARG 70 2.129 1.812 -7.829 489 HA ARG 70 HA ARG 70 4.788 0.890 -7.091 490 HB2 ARG 70 1HB ARG 70 4.150 0.247 -9.548 491 HB3 ARG 70 2HB ARG 70 4.436 1.952 -9.870 492 HG2 ARG 70 1HG ARG 70 6.708 1.776 -9.139 493 HG3 ARG 70 2HG ARG 70 6.447 0.123 -8.580 494 HD2 ARG 70 1HD ARG 70 7.604 0.130 -10.717 495 HD3 ARG 70 2HD ARG 70 5.998 -0.578 -10.884 496 HE ARG 70 HE ARG 70 5.798 2.135 -11.489 497 HH11 ARG 70 1HH1 ARG 70 7.322 -0.729 -12.751 498 HH12 ARG 70 2HH1 ARG 70 7.284 -0.183 -14.395 499 HH21 ARG 70 1HH2 ARG 70 5.742 2.865 -13.649 500 HH22 ARG 70 2HH2 ARG 70 6.386 1.862 -14.904 501 H PHE 71 H PHE 71 5.768 2.501 -6.077 502 HA PHE 71 HA PHE 71 5.728 5.185 -7.102 503 HB2 PHE 71 1HB PHE 71 4.844 6.175 -4.968 504 HB3 PHE 71 2HB PHE 71 3.643 5.310 -5.922 505 HD1 PHE 71 1HD PHE 71 5.966 4.876 -3.054 506 HD2 PHE 71 2HD PHE 71 2.349 3.660 -4.939 507 HE1 PHE 71 1HE PHE 71 5.412 3.497 -1.093 508 HE2 PHE 71 2HE PHE 71 1.789 2.279 -2.981 509 HZ PHE 71 HZ PHE 71 3.320 2.197 -1.055 510 H ILE 72 H ILE 72 7.148 6.628 -5.876 511 HA ILE 72 HA ILE 72 9.089 5.165 -4.211 512 HB ILE 72 HB ILE 72 9.712 7.215 -6.339 513 HG12 ILE 72 1HG1 ILE 72 10.696 4.371 -6.162 514 HG13 ILE 72 2HG1 ILE 72 9.202 4.789 -6.994 515 HG21 ILE 72 1HG2 ILE 72 11.681 5.755 -4.595 516 HG22 ILE 72 2HG2 ILE 72 11.993 7.083 -5.711 517 HG23 ILE 72 3HG2 ILE 72 11.082 7.373 -4.229 518 HD11 ILE 72 1HD1 ILE 72 11.564 4.628 -8.216 519 HD12 ILE 72 2HD1 ILE 72 10.282 5.721 -8.741 520 HD13 ILE 72 3HD1 ILE 72 11.605 6.327 -7.745 521 HA PRO 73 HA PRO 73 8.278 8.406 -1.309 522 HB2 PRO 73 1HB PRO 73 10.316 7.855 0.398 523 HB3 PRO 73 2HB PRO 73 8.847 6.877 0.309 524 HG2 PRO 73 1HG PRO 73 11.532 6.380 -0.920 525 HG3 PRO 73 2HG PRO 73 10.449 5.241 -0.098 526 HD2 PRO 73 1HD PRO 73 10.626 5.394 -2.795 527 HD3 PRO 73 2HD PRO 73 9.120 4.965 -1.960 528 H HIS 74 H HIS 74 8.859 10.082 -2.863 529 HA HIS 74 HA HIS 74 11.303 10.970 -3.630 530 HB2 HIS 74 1HB HIS 74 8.810 12.451 -2.869 531 HB3 HIS 74 2HB HIS 74 10.259 13.349 -3.307 532 HD1 HIS 74 1HD HIS 74 8.979 10.186 -4.958 533 HD2 HIS 74 2HD HIS 74 9.577 14.210 -5.803 534 HE1 HIS 74 1HE HIS 74 8.505 10.435 -7.415 535 HE2 HIS 74 2HE HIS 74 8.956 12.861 -7.920 536 H GLU 75 H GLU 75 9.971 11.077 -0.424 537 HA GLU 75 HA GLU 75 12.512 12.182 0.547 538 HB2 GLU 75 1HB GLU 75 9.993 12.937 1.961 539 HB3 GLU 75 2HB GLU 75 11.534 13.781 1.893 540 HG2 GLU 75 1HG GLU 75 9.772 13.538 -0.517 541 HG3 GLU 75 2HG GLU 75 9.544 14.815 0.677 542 H ASN 76 H ASN 76 12.541 11.942 3.069 543 HA ASN 76 HA ASN 76 12.031 9.128 3.593 544 HB2 ASN 76 1HB ASN 76 13.612 11.256 5.031 545 HB3 ASN 76 2HB ASN 76 13.321 9.669 5.738 546 HD21 ASN 76 1HD2 ASN 76 13.792 7.837 4.090 547 HD22 ASN 76 2HD2 ASN 76 15.310 7.968 3.276 548 H GLY 77 H GLY 77 11.539 8.791 6.126 549 HA2 GLY 77 1HA GLY 77 10.161 9.404 7.965 550 HA3 GLY 77 2HA GLY 77 9.356 10.577 6.934 551 H VAL 78 H VAL 78 7.738 9.091 8.407 552 HA VAL 78 HA VAL 78 6.932 6.698 6.985 553 HB VAL 78 HB VAL 78 5.560 8.070 9.301 554 HG11 VAL 78 1HG1 VAL 78 4.927 5.752 7.677 555 HG12 VAL 78 2HG1 VAL 78 5.044 5.354 9.392 556 HG13 VAL 78 3HG1 VAL 78 3.934 6.614 8.852 557 HG21 VAL 78 1HG2 VAL 78 7.027 7.166 10.717 558 HG22 VAL 78 2HG2 VAL 78 6.983 5.609 9.891 559 HG23 VAL 78 3HG2 VAL 78 8.057 6.882 9.313 560 H HIS 79 H HIS 79 6.115 7.227 5.011 561 HA HIS 79 HA HIS 79 4.367 9.435 4.569 562 HB2 HIS 79 1HB HIS 79 5.110 7.038 2.895 563 HB3 HIS 79 2HB HIS 79 3.983 8.270 2.336 564 HD1 HIS 79 1HD HIS 79 7.310 8.723 4.121 565 HD2 HIS 79 2HD HIS 79 5.442 9.673 0.534 566 HE1 HIS 79 1HE HIS 79 8.935 10.190 2.885 567 HE2 HIS 79 2HE HIS 79 7.749 10.821 0.755 568 H SER 80 H SER 80 2.171 9.094 3.539 569 HA SER 80 HA SER 80 0.704 7.022 5.036 570 HB2 SER 80 1HB SER 80 0.119 9.903 4.535 571 HB3 SER 80 2HB SER 80 -1.243 8.786 4.602 572 HG SER 80 HG SER 80 -0.857 9.527 6.666 573 H ILE 81 H ILE 81 0.168 5.443 3.678 574 HA ILE 81 HA ILE 81 -0.370 6.002 0.880 575 HB ILE 81 HB ILE 81 -0.648 3.303 2.163 576 HG12 ILE 81 1HG1 ILE 81 1.528 4.366 2.848 577 HG13 ILE 81 2HG1 ILE 81 1.700 2.889 1.907 578 HG21 ILE 81 1HG2 ILE 81 -0.617 4.381 -0.520 579 HG22 ILE 81 2HG2 ILE 81 0.594 3.117 -0.313 580 HG23 ILE 81 3HG2 ILE 81 -1.100 2.782 0.046 581 HD11 ILE 81 1HD1 ILE 81 2.891 3.941 0.370 582 HD12 ILE 81 2HD1 ILE 81 1.656 5.187 0.184 583 HD13 ILE 81 3HD1 ILE 81 2.896 5.353 1.427 584 H ASP 82 H ASP 82 -2.329 6.875 0.536 585 HA ASP 82 HA ASP 82 -4.646 6.015 2.040 586 HB2 ASP 82 1HB ASP 82 -4.165 8.085 -0.087 587 HB3 ASP 82 2HB ASP 82 -5.803 7.639 0.383 588 H VAL 83 H VAL 83 -5.625 4.175 1.530 589 HA VAL 83 HA VAL 83 -5.868 3.457 -1.320 590 HB VAL 83 HB VAL 83 -5.646 1.648 1.086 591 HG11 VAL 83 1HG1 VAL 83 -7.358 0.865 -0.541 592 HG12 VAL 83 2HG1 VAL 83 -6.102 0.831 -1.780 593 HG13 VAL 83 3HG1 VAL 83 -5.984 -0.226 -0.372 594 HG21 VAL 83 1HG2 VAL 83 -3.833 2.495 -1.085 595 HG22 VAL 83 2HG2 VAL 83 -3.471 2.002 0.570 596 HG23 VAL 83 3HG2 VAL 83 -3.798 0.783 -0.662 597 H LYS 84 H LYS 84 -7.857 3.238 -2.126 598 HA LYS 84 HA LYS 84 -10.111 3.020 -0.240 599 HB2 LYS 84 1HB LYS 84 -9.744 4.819 -2.610 600 HB3 LYS 84 2HB LYS 84 -11.361 4.312 -2.139 601 HG2 LYS 84 1HG LYS 84 -10.551 5.140 0.232 602 HG3 LYS 84 2HG LYS 84 -9.452 6.112 -0.750 603 HD2 LYS 84 1HD LYS 84 -12.340 6.048 -1.479 604 HD3 LYS 84 2HD LYS 84 -11.843 7.001 -0.078 605 HE2 LYS 84 1HE LYS 84 -11.680 8.556 -1.768 606 HE3 LYS 84 2HE LYS 84 -10.033 7.930 -1.713 607 HZ1 LYS 84 1HZ LYS 84 -11.233 8.147 -3.971 608 HZ2 LYS 84 2HZ LYS 84 -12.007 6.711 -3.525 609 HZ3 LYS 84 3HZ LYS 84 -10.321 6.757 -3.657 610 H PHE 85 H PHE 85 -12.083 2.091 -1.192 611 HA PHE 85 HA PHE 85 -11.587 0.359 -3.506 612 HB2 PHE 85 1HB PHE 85 -11.228 -0.841 -1.268 613 HB3 PHE 85 2HB PHE 85 -12.966 -0.683 -1.038 614 HD1 PHE 85 1HD PHE 85 -10.374 -2.116 -3.251 615 HD2 PHE 85 2HD PHE 85 -14.466 -2.156 -2.081 616 HE1 PHE 85 1HE PHE 85 -10.727 -4.163 -4.569 617 HE2 PHE 85 2HE PHE 85 -14.826 -4.204 -3.397 618 HZ PHE 85 HZ PHE 85 -12.955 -5.211 -4.643 619 H ASN 86 H ASN 86 -13.032 1.079 -4.935 620 HA ASN 86 HA ASN 86 -14.975 1.858 -5.847 621 HB2 ASN 86 1HB ASN 86 -15.421 -0.608 -5.178 622 HB3 ASN 86 2HB ASN 86 -16.424 0.079 -3.904 623 HD21 ASN 86 1HD2 ASN 86 -15.973 -0.170 -7.366 624 HD22 ASN 86 2HD2 ASN 86 -17.603 0.210 -7.797 625 H GLY 87 H GLY 87 -13.961 3.324 -3.525 626 HA2 GLY 87 1HA GLY 87 -14.759 5.336 -2.620 627 HA3 GLY 87 2HA GLY 87 -16.403 4.807 -2.949 628 H ALA 88 H ALA 88 -13.750 3.323 -1.096 629 HA ALA 88 HA ALA 88 -15.059 3.802 1.415 630 HB1 ALA 88 1HB ALA 88 -16.422 1.954 0.624 631 HB2 ALA 88 2HB ALA 88 -14.976 0.982 0.347 632 HB3 ALA 88 3HB ALA 88 -15.428 1.445 1.988 633 H HIS 89 H HIS 89 -13.421 4.239 2.724 634 HA HIS 89 HA HIS 89 -10.739 3.592 2.187 635 HB2 HIS 89 1HB HIS 89 -12.225 4.770 4.480 636 HB3 HIS 89 2HB HIS 89 -10.606 4.155 4.799 637 HD1 HIS 89 1HD HIS 89 -8.691 5.631 4.162 638 HD2 HIS 89 2HD HIS 89 -12.274 6.860 2.457 639 HE1 HIS 89 1HE HIS 89 -8.194 7.844 3.078 640 HE2 HIS 89 2HE HIS 89 -10.397 8.609 2.126 641 H ILE 90 H ILE 90 -9.639 1.775 2.475 642 HA ILE 90 HA ILE 90 -10.824 -0.552 3.570 643 HB ILE 90 HB ILE 90 -8.725 -1.655 3.176 644 HG12 ILE 90 1HG1 ILE 90 -7.399 0.922 2.412 645 HG13 ILE 90 2HG1 ILE 90 -7.444 0.439 4.104 646 HG21 ILE 90 1HG2 ILE 90 -8.433 -1.226 0.828 647 HG22 ILE 90 2HG2 ILE 90 -10.141 -1.059 1.230 648 HG23 ILE 90 3HG2 ILE 90 -9.148 0.378 0.992 649 HD11 ILE 90 1HD1 ILE 90 -5.635 -0.772 3.735 650 HD12 ILE 90 2HD1 ILE 90 -6.595 -1.817 2.687 651 HD13 ILE 90 3HD1 ILE 90 -5.717 -0.449 2.003 652 HA PRO 91 HA PRO 91 -9.851 -0.271 7.845 653 HB2 PRO 91 1HB PRO 91 -9.545 -2.898 8.457 654 HB3 PRO 91 2HB PRO 91 -11.119 -2.167 8.123 655 HG2 PRO 91 1HG PRO 91 -9.355 -3.771 6.314 656 HG3 PRO 91 2HG PRO 91 -11.113 -3.859 6.529 657 HD2 PRO 91 1HD PRO 91 -9.962 -2.563 4.449 658 HD3 PRO 91 2HD PRO 91 -11.496 -2.037 5.171 659 H GLY 92 H GLY 92 -7.888 0.704 8.134 660 HA2 GLY 92 1HA GLY 92 -5.764 0.009 9.293 661 HA3 GLY 92 2HA GLY 92 -5.500 -1.020 7.893 662 H SER 93 H SER 93 -6.808 1.349 6.341 663 HA SER 93 HA SER 93 -4.262 2.623 5.753 664 HB2 SER 93 1HB SER 93 -5.239 2.189 3.729 665 HB3 SER 93 2HB SER 93 -6.876 2.338 4.367 666 HG SER 93 HG SER 93 -6.732 4.532 4.226 667 HA PRO 94 HA PRO 94 -3.840 4.531 4.411 668 HB2 PRO 94 1HB PRO 94 -1.947 6.310 5.200 669 HB3 PRO 94 2HB PRO 94 -3.416 6.788 4.341 670 HG2 PRO 94 1HG PRO 94 -2.814 6.898 7.272 671 HG3 PRO 94 2HG PRO 94 -3.614 8.105 6.248 672 HD2 PRO 94 1HD PRO 94 -4.990 6.421 7.861 673 HD3 PRO 94 2HD PRO 94 -5.638 7.004 6.314 674 H PHE 95 H PHE 95 -2.069 3.235 4.230 675 HA PHE 95 HA PHE 95 -1.200 1.830 6.574 676 HB2 PHE 95 1HB PHE 95 -0.516 1.645 3.649 677 HB3 PHE 95 2HB PHE 95 0.362 0.709 4.855 678 HD1 PHE 95 1HD PHE 95 -1.414 -0.413 6.635 679 HD2 PHE 95 2HD PHE 95 -2.110 0.459 2.527 680 HE1 PHE 95 1HE PHE 95 -3.164 -2.141 6.568 681 HE2 PHE 95 2HE PHE 95 -3.862 -1.268 2.454 682 HZ PHE 95 HZ PHE 95 -4.391 -2.570 4.476 683 H LYS 96 H LYS 96 0.222 2.689 7.931 684 HA LYS 96 HA LYS 96 2.065 4.733 7.171 685 HB2 LYS 96 1HB LYS 96 1.851 3.102 9.707 686 HB3 LYS 96 2HB LYS 96 2.908 4.492 9.499 687 HG2 LYS 96 1HG LYS 96 -0.067 4.660 9.132 688 HG3 LYS 96 2HG LYS 96 0.719 4.897 10.694 689 HD2 LYS 96 1HD LYS 96 2.102 6.689 9.650 690 HD3 LYS 96 2HD LYS 96 1.145 6.506 8.178 691 HE2 LYS 96 1HE LYS 96 0.113 8.281 9.268 692 HE3 LYS 96 2HE LYS 96 -0.887 6.899 9.713 693 HZ1 LYS 96 1HZ LYS 96 0.247 6.775 11.823 694 HZ2 LYS 96 2HZ LYS 96 -0.379 8.332 11.611 695 HZ3 LYS 96 3HZ LYS 96 1.275 8.048 11.395 696 H ILE 97 H ILE 97 3.701 4.225 5.848 697 HA ILE 97 HA ILE 97 5.229 1.769 6.394 698 HB ILE 97 HB ILE 97 6.140 2.070 4.083 699 HG12 ILE 97 1HG1 ILE 97 3.904 4.080 3.776 700 HG13 ILE 97 2HG1 ILE 97 5.595 4.525 3.975 701 HG21 ILE 97 1HG2 ILE 97 4.211 1.155 2.976 702 HG22 ILE 97 2HG2 ILE 97 4.265 0.545 4.628 703 HG23 ILE 97 3HG2 ILE 97 3.138 1.832 4.201 704 HD11 ILE 97 1HD1 ILE 97 5.180 4.629 1.675 705 HD12 ILE 97 2HD1 ILE 97 6.047 3.112 1.919 706 HD13 ILE 97 3HD1 ILE 97 4.300 3.101 1.679 707 H ARG 98 H ARG 98 7.281 1.902 7.054 708 HA ARG 98 HA ARG 98 8.420 4.515 7.546 709 HB2 ARG 98 1HB ARG 98 8.493 2.325 9.029 710 HB3 ARG 98 2HB ARG 98 9.925 1.991 8.066 711 HG2 ARG 98 1HG ARG 98 10.572 4.438 8.747 712 HG3 ARG 98 2HG ARG 98 9.443 4.135 10.068 713 HD2 ARG 98 1HD ARG 98 10.825 1.884 10.242 714 HD3 ARG 98 2HD ARG 98 12.068 2.874 9.477 715 HE ARG 98 HE ARG 98 11.024 4.312 11.628 716 HH11 ARG 98 1HH1 ARG 98 12.861 1.414 11.041 717 HH12 ARG 98 2HH1 ARG 98 13.705 1.487 12.553 718 HH21 ARG 98 1HH2 ARG 98 12.128 4.419 13.621 719 HH22 ARG 98 2HH2 ARG 98 13.287 3.196 14.019 720 H VAL 99 H VAL 99 9.780 5.530 6.235 721 HA VAL 99 HA VAL 99 11.161 3.961 4.157 722 HB VAL 99 HB VAL 99 10.320 6.862 4.107 723 HG11 VAL 99 1HG1 VAL 99 11.054 6.391 1.590 724 HG12 VAL 99 2HG1 VAL 99 12.179 6.997 2.806 725 HG13 VAL 99 3HG1 VAL 99 12.157 5.280 2.402 726 HG21 VAL 99 1HG2 VAL 99 9.405 4.613 2.328 727 HG22 VAL 99 2HG2 VAL 99 8.544 5.099 3.789 728 HG23 VAL 99 3HG2 VAL 99 8.733 6.238 2.456 729 H GLY 100 H GLY 100 13.157 3.557 4.927 730 HA2 GLY 100 1HA GLY 100 15.387 4.661 4.884 731 HA3 GLY 100 2HA GLY 100 14.691 5.864 5.960 732 H GLU 101 H GLU 101 15.420 2.399 5.717 733 HA GLU 101 HA GLU 101 15.351 2.127 8.608 734 HB2 GLU 101 1HB GLU 101 14.433 0.327 7.229 735 HB3 GLU 101 2HB GLU 101 15.991 0.116 6.443 736 HG2 GLU 101 1HG GLU 101 15.990 -1.586 7.984 737 HG3 GLU 101 2HG GLU 101 16.866 -0.318 8.838 738 H GLN 102 H GLN 102 17.054 2.822 9.718 739 HA GLN 102 HA GLN 102 19.649 3.125 8.601 740 HB2 GLN 102 1HB GLN 102 18.439 3.454 11.307 741 HB3 GLN 102 2HB GLN 102 20.190 3.345 11.189 742 HG2 GLN 102 1HG GLN 102 20.199 5.233 9.635 743 HG3 GLN 102 2HG GLN 102 18.445 5.348 9.774 744 HE21 GLN 102 1HE2 GLN 102 19.563 7.582 10.337 745 HE22 GLN 102 2HE2 GLN 102 19.703 7.878 12.033 746 H SER 103 H SER 103 21.064 1.570 8.216 747 HA SER 103 HA SER 103 20.831 -1.089 8.815 748 HB2 SER 103 1HB SER 103 22.465 -0.221 7.206 749 HB3 SER 103 2HB SER 103 23.409 0.474 8.524 750 HG SER 103 HG SER 103 24.382 -1.419 8.262 751 H GLN 104 H GLN 104 21.782 -2.490 10.349 752 HA GLN 104 HA GLN 104 22.730 -1.222 12.823 753 HB2 GLN 104 1HB GLN 104 20.245 -1.929 12.840 754 HB3 GLN 104 2HB GLN 104 20.860 -3.575 12.893 755 HG2 GLN 104 1HG GLN 104 20.311 -2.741 15.114 756 HG3 GLN 104 2HG GLN 104 22.029 -3.103 14.960 757 HE21 GLN 104 1HE2 GLN 104 23.391 -1.619 15.650 758 HE22 GLN 104 2HE2 GLN 104 23.032 0.052 15.903 759 H ALA 105 H ALA 105 24.832 -1.855 12.563 760 HA ALA 105 HA ALA 105 25.647 -4.421 11.696 761 HB1 ALA 105 1HB ALA 105 27.750 -3.620 11.849 762 HB2 ALA 105 2HB ALA 105 26.920 -2.072 12.009 763 HB3 ALA 105 3HB ALA 105 27.485 -2.921 13.447 764 H GLY 106 H GLY 106 24.539 -5.977 12.906 765 HA2 GLY 106 1HA GLY 106 25.704 -6.451 15.552 766 HA3 GLY 106 2HA GLY 106 23.953 -6.366 15.434 767 H SER 107 H SER 107 26.695 -8.339 15.138 768 HA SER 107 HA SER 107 26.101 -10.283 13.332 769 HB2 SER 107 1HB SER 107 27.405 -11.805 14.638 770 HB3 SER 107 2HB SER 107 28.088 -10.201 14.900 771 HG SER 107 HG SER 107 27.870 -11.182 16.885 772 H GLY 108 H GLY 108 24.662 -11.905 13.088 773 HA2 GLY 108 1HA GLY 108 22.884 -12.554 15.336 774 HA3 GLY 108 2HA GLY 108 22.175 -12.050 13.809 775 HA PRO 109 HA PRO 109 24.342 -16.271 12.892 776 HB2 PRO 109 1HB PRO 109 25.390 -17.601 15.014 777 HB3 PRO 109 2HB PRO 109 26.319 -16.447 14.049 778 HG2 PRO 109 1HG PRO 109 24.962 -16.051 16.687 779 HG3 PRO 109 2HG PRO 109 26.562 -15.501 16.159 780 HD2 PRO 109 1HD PRO 109 24.404 -13.866 16.210 781 HD3 PRO 109 2HD PRO 109 25.702 -13.696 15.011 782 H SER 110 H SER 110 22.406 -17.213 12.495 783 HA SER 110 HA SER 110 20.613 -17.963 14.622 784 HB2 SER 110 1HB SER 110 19.929 -17.169 12.287 785 HB3 SER 110 2HB SER 110 20.375 -18.780 11.726 786 HG SER 110 HG SER 110 18.607 -18.439 13.895 787 H SER 111 H SER 111 19.618 -20.269 14.413 788 HA SER 111 HA SER 111 19.890 -22.485 14.851 789 HB2 SER 111 1HB SER 111 21.890 -22.067 12.637 790 HB3 SER 111 2HB SER 111 21.648 -23.653 13.370 791 HG SER 111 HG SER 111 19.965 -23.842 12.148 792 H GLY 112 H GLY 112 21.101 -20.808 16.683 793 HA2 GLY 112 1HA GLY 112 22.706 -20.732 18.330 794 HA3 GLY 112 2HA GLY 112 22.698 -22.482 18.168 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -37.286 -1.934 5.374 2 HA2 GLY 1 1HA GLY 1 -36.419 -3.119 7.226 3 HA3 GLY 1 2HA GLY 1 -35.406 -3.663 5.897 4 H SER 2 H SER 2 -33.396 -2.436 5.512 5 HA SER 2 HA SER 2 -32.061 -1.964 8.028 6 HB2 SER 2 1HB SER 2 -31.161 -3.138 5.840 7 HB3 SER 2 2HB SER 2 -30.730 -1.488 5.390 8 HG SER 2 HG SER 2 -29.368 -3.091 6.926 9 H SER 3 H SER 3 -31.132 -0.058 8.724 10 HA SER 3 HA SER 3 -32.452 2.342 7.939 11 HB2 SER 3 1HB SER 3 -30.254 1.692 9.884 12 HB3 SER 3 2HB SER 3 -30.670 3.368 9.529 13 HG SER 3 HG SER 3 -32.266 3.132 10.857 14 H GLY 4 H GLY 4 -31.650 4.143 6.879 15 HA2 GLY 4 1HA GLY 4 -30.249 5.386 5.528 16 HA3 GLY 4 2HA GLY 4 -28.944 4.285 5.943 17 H SER 5 H SER 5 -28.084 3.599 4.094 18 HA SER 5 HA SER 5 -29.917 2.679 1.976 19 HB2 SER 5 1HB SER 5 -27.368 4.216 1.869 20 HB3 SER 5 2HB SER 5 -27.666 3.047 0.582 21 HG SER 5 HG SER 5 -28.531 5.016 -0.028 22 H SER 6 H SER 6 -30.021 0.536 2.000 23 HA SER 6 HA SER 6 -28.451 -1.283 3.249 24 HB2 SER 6 1HB SER 6 -29.213 -2.951 1.556 25 HB3 SER 6 2HB SER 6 -30.520 -1.937 2.166 26 HG SER 6 HG SER 6 -29.300 -1.956 -0.355 27 H GLY 7 H GLY 7 -26.709 -2.645 2.685 28 HA2 GLY 7 1HA GLY 7 -25.276 -2.568 0.286 29 HA3 GLY 7 2HA GLY 7 -24.579 -1.359 1.353 30 H SER 8 H SER 8 -22.624 -2.618 1.273 31 HA SER 8 HA SER 8 -22.393 -4.395 3.487 32 HB2 SER 8 1HB SER 8 -23.337 -5.810 1.510 33 HB3 SER 8 2HB SER 8 -21.694 -5.708 0.877 34 HG SER 8 HG SER 8 -21.383 -7.363 2.143 35 H ASP 9 H ASP 9 -20.196 -4.965 3.948 36 HA ASP 9 HA ASP 9 -18.291 -3.132 2.673 37 HB2 ASP 9 1HB ASP 9 -18.451 -4.387 5.393 38 HB3 ASP 9 2HB ASP 9 -16.903 -3.815 4.777 39 H ASP 10 H ASP 10 -17.351 -4.141 0.996 40 HA ASP 10 HA ASP 10 -16.464 -6.916 1.319 41 HB2 ASP 10 1HB ASP 10 -16.517 -5.223 -1.187 42 HB3 ASP 10 2HB ASP 10 -16.202 -6.954 -1.096 43 H ALA 11 H ALA 11 -15.293 -3.675 1.072 44 HA ALA 11 HA ALA 11 -12.697 -4.057 0.158 45 HB1 ALA 11 1HB ALA 11 -14.159 -1.936 1.160 46 HB2 ALA 11 2HB ALA 11 -12.826 -2.107 2.303 47 HB3 ALA 11 3HB ALA 11 -12.492 -1.880 0.586 48 H ARG 12 H ARG 12 -14.118 -4.807 3.244 49 HA ARG 12 HA ARG 12 -11.823 -4.964 4.831 50 HB2 ARG 12 1HB ARG 12 -13.117 -6.350 6.320 51 HB3 ARG 12 2HB ARG 12 -14.158 -5.087 5.676 52 HG2 ARG 12 1HG ARG 12 -15.548 -6.863 5.444 53 HG3 ARG 12 2HG ARG 12 -14.713 -6.959 3.892 54 HD2 ARG 12 1HD ARG 12 -14.559 -9.136 4.609 55 HD3 ARG 12 2HD ARG 12 -13.046 -8.472 5.223 56 HE ARG 12 HE ARG 12 -13.829 -8.731 7.369 57 HH11 ARG 12 1HH1 ARG 12 -16.430 -9.195 5.103 58 HH12 ARG 12 2HH1 ARG 12 -17.534 -9.801 6.293 59 HH21 ARG 12 1HH2 ARG 12 -15.272 -9.527 8.946 60 HH22 ARG 12 2HH2 ARG 12 -16.874 -9.989 8.479 61 H ARG 13 H ARG 13 -12.795 -6.882 2.197 62 HA ARG 13 HA ARG 13 -11.358 -9.257 3.008 63 HB2 ARG 13 1HB ARG 13 -12.577 -8.538 0.336 64 HB3 ARG 13 2HB ARG 13 -11.973 -10.123 0.799 65 HG2 ARG 13 1HG ARG 13 -13.758 -10.558 2.170 66 HG3 ARG 13 2HG ARG 13 -14.091 -8.849 2.457 67 HD2 ARG 13 1HD ARG 13 -14.997 -8.601 0.244 68 HD3 ARG 13 2HD ARG 13 -14.517 -10.244 -0.181 69 HE ARG 13 HE ARG 13 -16.214 -10.336 2.053 70 HH11 ARG 13 1HH1 ARG 13 -16.301 -9.610 -1.351 71 HH12 ARG 13 2HH1 ARG 13 -17.960 -10.075 -1.540 72 HH21 ARG 13 1HH2 ARG 13 -18.397 -10.952 1.816 73 HH22 ARG 13 2HH2 ARG 13 -19.151 -10.837 0.262 74 H LEU 14 H LEU 14 -10.568 -6.289 1.621 75 HA LEU 14 HA LEU 14 -8.468 -7.136 -0.117 76 HB2 LEU 14 1HB LEU 14 -8.836 -4.449 1.196 77 HB3 LEU 14 2HB LEU 14 -7.858 -4.807 -0.226 78 HG LEU 14 HG LEU 14 -10.866 -5.010 -0.097 79 HD11 LEU 14 1HD1 LEU 14 -9.683 -3.012 -1.854 80 HD12 LEU 14 2HD1 LEU 14 -9.374 -2.707 -0.145 81 HD13 LEU 14 3HD1 LEU 14 -11.031 -2.876 -0.724 82 HD21 LEU 14 1HD2 LEU 14 -8.854 -5.849 -2.040 83 HD22 LEU 14 2HD2 LEU 14 -10.115 -4.822 -2.723 84 HD23 LEU 14 3HD2 LEU 14 -10.549 -6.313 -1.886 85 H THR 15 H THR 15 -6.315 -7.356 0.256 86 HA THR 15 HA THR 15 -5.256 -6.706 2.905 87 HB THR 15 HB THR 15 -4.136 -8.915 3.068 88 HG1 THR 15 1HG THR 15 -4.245 -9.537 0.877 89 HG21 THR 15 1HG2 THR 15 -5.851 -9.734 4.272 90 HG22 THR 15 2HG2 THR 15 -6.942 -9.746 2.886 91 HG23 THR 15 3HG2 THR 15 -6.685 -8.256 3.793 92 H VAL 16 H VAL 16 -2.866 -6.884 2.984 93 HA VAL 16 HA VAL 16 -1.537 -6.781 0.384 94 HB VAL 16 HB VAL 16 -1.098 -4.572 2.386 95 HG11 VAL 16 1HG1 VAL 16 0.542 -5.347 0.450 96 HG12 VAL 16 2HG1 VAL 16 -0.527 -4.328 -0.517 97 HG13 VAL 16 3HG1 VAL 16 0.327 -3.647 0.869 98 HG21 VAL 16 1HG2 VAL 16 -3.345 -4.267 1.716 99 HG22 VAL 16 2HG2 VAL 16 -2.391 -3.158 0.732 100 HG23 VAL 16 3HG2 VAL 16 -2.978 -4.669 0.038 101 H THR 17 H THR 17 0.129 -8.117 0.522 102 HA THR 17 HA THR 17 1.493 -8.423 3.115 103 HB THR 17 HB THR 17 1.394 -10.354 0.789 104 HG1 THR 17 1HG THR 17 -0.506 -10.628 1.783 105 HG21 THR 17 1HG2 THR 17 3.406 -10.141 2.610 106 HG22 THR 17 2HG2 THR 17 2.936 -11.643 1.812 107 HG23 THR 17 3HG2 THR 17 2.322 -11.270 3.423 108 H SER 18 H SER 18 2.239 -8.682 -0.368 109 HA SER 18 HA SER 18 4.906 -8.623 -0.443 110 HB2 SER 18 1HB SER 18 2.882 -7.214 -2.130 111 HB3 SER 18 2HB SER 18 4.589 -6.870 -2.404 112 HG SER 18 HG SER 18 4.859 -9.198 -2.581 113 H LEU 19 H LEU 19 2.889 -5.813 0.285 114 HA LEU 19 HA LEU 19 4.735 -3.789 0.310 115 HB2 LEU 19 1HB LEU 19 2.437 -3.320 0.716 116 HB3 LEU 19 2HB LEU 19 2.430 -4.314 2.172 117 HG LEU 19 HG LEU 19 3.979 -2.649 3.216 118 HD11 LEU 19 1HD1 LEU 19 4.195 -1.701 0.608 119 HD12 LEU 19 2HD1 LEU 19 4.845 -0.958 2.069 120 HD13 LEU 19 3HD1 LEU 19 3.260 -0.475 1.464 121 HD21 LEU 19 1HD2 LEU 19 1.188 -2.016 2.369 122 HD22 LEU 19 2HD2 LEU 19 2.114 -0.822 3.278 123 HD23 LEU 19 3HD2 LEU 19 1.816 -2.418 3.968 124 H GLN 20 H GLN 20 6.413 -3.171 1.546 125 HA GLN 20 HA GLN 20 7.196 -4.959 3.729 126 HB2 GLN 20 1HB GLN 20 8.699 -4.256 1.696 127 HB3 GLN 20 2HB GLN 20 8.964 -2.800 2.645 128 HG2 GLN 20 1HG GLN 20 9.910 -4.048 4.438 129 HG3 GLN 20 2HG GLN 20 9.445 -5.576 3.691 130 HE21 GLN 20 1HE2 GLN 20 12.006 -5.250 4.437 131 HE22 GLN 20 2HE2 GLN 20 13.026 -5.060 3.057 132 H GLU 21 H GLU 21 6.668 -4.352 5.714 133 HA GLU 21 HA GLU 21 5.698 -1.853 6.458 134 HB2 GLU 21 1HB GLU 21 6.904 -4.104 8.052 135 HB3 GLU 21 2HB GLU 21 6.320 -2.637 8.825 136 HG2 GLU 21 1HG GLU 21 4.114 -3.085 7.636 137 HG3 GLU 21 2HG GLU 21 4.756 -4.693 7.307 138 H THR 22 H THR 22 8.964 -3.196 6.827 139 HA THR 22 HA THR 22 10.005 -0.461 6.968 140 HB THR 22 HB THR 22 11.412 -0.882 8.837 141 HG1 THR 22 1HG THR 22 11.225 -3.048 9.873 142 HG21 THR 22 1HG2 THR 22 9.803 -0.629 10.375 143 HG22 THR 22 2HG2 THR 22 9.142 -2.234 10.065 144 HG23 THR 22 3HG2 THR 22 8.662 -0.872 9.053 145 H GLY 23 H GLY 23 12.118 -0.204 6.199 146 HA2 GLY 23 1HA GLY 23 14.219 -1.476 5.609 147 HA3 GLY 23 2HA GLY 23 13.145 -2.546 4.719 148 H LEU 24 H LEU 24 11.438 -0.492 3.677 149 HA LEU 24 HA LEU 24 12.667 0.066 1.267 150 HB2 LEU 24 1HB LEU 24 10.498 1.693 2.585 151 HB3 LEU 24 2HB LEU 24 10.877 1.656 0.864 152 HG LEU 24 HG LEU 24 9.825 -0.682 2.455 153 HD11 LEU 24 1HD1 LEU 24 8.340 0.940 0.408 154 HD12 LEU 24 2HD1 LEU 24 8.258 1.283 2.136 155 HD13 LEU 24 3HD1 LEU 24 7.704 -0.274 1.519 156 HD21 LEU 24 1HD2 LEU 24 10.541 -1.884 0.728 157 HD22 LEU 24 2HD2 LEU 24 11.019 -0.438 -0.162 158 HD23 LEU 24 3HD2 LEU 24 9.361 -1.032 -0.268 159 H LYS 25 H LYS 25 14.305 1.341 0.752 160 HA LYS 25 HA LYS 25 15.076 3.499 2.562 161 HB2 LYS 25 1HB LYS 25 16.456 1.964 0.399 162 HB3 LYS 25 2HB LYS 25 17.057 3.561 0.826 163 HG2 LYS 25 1HG LYS 25 17.676 2.902 2.956 164 HG3 LYS 25 2HG LYS 25 16.594 1.508 2.948 165 HD2 LYS 25 1HD LYS 25 18.113 0.712 0.974 166 HD3 LYS 25 2HD LYS 25 19.276 1.840 1.674 167 HE2 LYS 25 1HE LYS 25 17.898 -0.349 3.220 168 HE3 LYS 25 2HE LYS 25 19.493 -0.512 2.487 169 HZ1 LYS 25 1HZ LYS 25 18.665 1.175 4.757 170 HZ2 LYS 25 2HZ LYS 25 20.029 1.588 3.846 171 HZ3 LYS 25 3HZ LYS 25 19.966 0.100 4.648 172 H VAL 26 H VAL 26 15.990 5.506 1.436 173 HA VAL 26 HA VAL 26 13.911 6.817 0.083 174 HB VAL 26 HB VAL 26 15.896 7.809 1.427 175 HG11 VAL 26 1HG1 VAL 26 17.118 8.130 -1.289 176 HG12 VAL 26 2HG1 VAL 26 17.844 8.391 0.298 177 HG13 VAL 26 3HG1 VAL 26 17.527 6.751 -0.270 178 HG21 VAL 26 1HG2 VAL 26 14.022 8.881 -0.240 179 HG22 VAL 26 2HG2 VAL 26 15.124 9.813 0.773 180 HG23 VAL 26 3HG2 VAL 26 15.519 9.519 -0.920 181 H ASN 27 H ASN 27 13.853 7.680 -2.061 182 HA ASN 27 HA ASN 27 13.765 7.281 -4.316 183 HB2 ASN 27 1HB ASN 27 16.757 7.065 -3.905 184 HB3 ASN 27 2HB ASN 27 15.942 7.447 -5.419 185 HD21 ASN 27 1HD2 ASN 27 14.238 9.315 -5.010 186 HD22 ASN 27 2HD2 ASN 27 14.914 10.709 -4.244 187 H GLN 28 H GLN 28 12.966 5.027 -3.223 188 HA GLN 28 HA GLN 28 14.348 2.948 -4.777 189 HB2 GLN 28 1HB GLN 28 13.333 2.783 -1.945 190 HB3 GLN 28 2HB GLN 28 13.620 1.348 -2.921 191 HG2 GLN 28 1HG GLN 28 15.805 3.345 -2.670 192 HG3 GLN 28 2HG GLN 28 15.451 2.301 -1.294 193 HE21 GLN 28 1HE2 GLN 28 17.867 2.282 -2.714 194 HE22 GLN 28 2HE2 GLN 28 18.028 0.748 -3.491 195 HA PRO 29 HA PRO 29 10.311 2.430 -6.520 196 HB2 PRO 29 1HB PRO 29 10.839 0.159 -7.911 197 HB3 PRO 29 2HB PRO 29 11.400 1.754 -8.427 198 HG2 PRO 29 1HG PRO 29 12.888 -0.398 -6.972 199 HG3 PRO 29 2HG PRO 29 13.431 0.627 -8.313 200 HD2 PRO 29 1HD PRO 29 14.113 1.114 -5.738 201 HD3 PRO 29 2HD PRO 29 13.889 2.412 -6.928 202 H ALA 30 H ALA 30 9.216 1.967 -4.541 203 HA ALA 30 HA ALA 30 9.168 -0.812 -3.650 204 HB1 ALA 30 1HB ALA 30 9.333 0.746 -1.872 205 HB2 ALA 30 2HB ALA 30 7.999 1.712 -2.503 206 HB3 ALA 30 3HB ALA 30 7.688 0.110 -1.834 207 H SER 31 H SER 31 7.796 -2.162 -4.593 208 HA SER 31 HA SER 31 5.101 -1.193 -5.261 209 HB2 SER 31 1HB SER 31 5.105 -2.228 -7.376 210 HB3 SER 31 2HB SER 31 6.692 -1.465 -7.276 211 HG SER 31 HG SER 31 7.591 -3.454 -6.795 212 H PHE 32 H PHE 32 3.432 -2.676 -5.015 213 HA PHE 32 HA PHE 32 4.040 -5.380 -4.149 214 HB2 PHE 32 1HB PHE 32 2.383 -4.911 -2.150 215 HB3 PHE 32 2HB PHE 32 4.104 -4.572 -1.991 216 HD1 PHE 32 2HD PHE 32 4.878 -2.180 -2.469 217 HD2 PHE 32 1HD PHE 32 0.815 -3.243 -1.781 218 HE1 PHE 32 2HE PHE 32 4.365 0.159 -1.905 219 HE2 PHE 32 1HE PHE 32 0.295 -0.905 -1.217 220 HZ PHE 32 HZ PHE 32 2.071 0.799 -1.277 221 H ALA 33 H ALA 33 1.893 -6.545 -3.606 222 HA ALA 33 HA ALA 33 -0.139 -5.664 -5.553 223 HB1 ALA 33 1HB ALA 33 0.258 -8.526 -4.755 224 HB2 ALA 33 2HB ALA 33 -0.535 -7.872 -6.188 225 HB3 ALA 33 3HB ALA 33 1.220 -7.788 -6.036 226 H VAL 34 H VAL 34 -2.288 -5.762 -4.986 227 HA VAL 34 HA VAL 34 -2.841 -6.375 -2.155 228 HB VAL 34 HB VAL 34 -4.189 -4.331 -3.925 229 HG11 VAL 34 1HG1 VAL 34 -4.804 -4.140 -1.119 230 HG12 VAL 34 2HG1 VAL 34 -5.895 -4.267 -2.500 231 HG13 VAL 34 3HG1 VAL 34 -5.248 -5.726 -1.748 232 HG21 VAL 34 1HG2 VAL 34 -2.462 -3.061 -3.288 233 HG22 VAL 34 2HG2 VAL 34 -3.223 -3.046 -1.696 234 HG23 VAL 34 3HG2 VAL 34 -1.953 -4.216 -2.056 235 H GLN 35 H GLN 35 -3.862 -8.268 -2.037 236 HA GLN 35 HA GLN 35 -5.489 -9.269 -4.184 237 HB2 GLN 35 1HB GLN 35 -4.160 -10.829 -2.902 238 HB3 GLN 35 2HB GLN 35 -4.941 -10.327 -1.408 239 HG2 GLN 35 1HG GLN 35 -6.905 -11.431 -1.904 240 HG3 GLN 35 2HG GLN 35 -6.573 -11.456 -3.635 241 HE21 GLN 35 1HE2 GLN 35 -7.360 -13.750 -2.855 242 HE22 GLN 35 2HE2 GLN 35 -6.080 -14.879 -2.592 243 H LEU 36 H LEU 36 -7.709 -9.647 -4.164 244 HA LEU 36 HA LEU 36 -9.209 -7.843 -2.425 245 HB2 LEU 36 1HB LEU 36 -10.395 -9.440 -4.660 246 HB3 LEU 36 2HB LEU 36 -10.920 -7.893 -4.000 247 HG LEU 36 HG LEU 36 -8.304 -8.081 -5.436 248 HD11 LEU 36 1HD1 LEU 36 -11.017 -7.863 -6.731 249 HD12 LEU 36 2HD1 LEU 36 -9.837 -9.154 -6.954 250 HD13 LEU 36 3HD1 LEU 36 -9.483 -7.527 -7.534 251 HD21 LEU 36 1HD2 LEU 36 -9.087 -6.047 -4.155 252 HD22 LEU 36 2HD2 LEU 36 -10.349 -5.874 -5.375 253 HD23 LEU 36 3HD2 LEU 36 -8.650 -5.779 -5.843 254 H ASN 37 H ASN 37 -8.695 -11.220 -3.015 255 HA ASN 37 HA ASN 37 -9.491 -13.113 -2.033 256 HB2 ASN 37 1HB ASN 37 -9.861 -11.095 0.176 257 HB3 ASN 37 2HB ASN 37 -10.245 -12.799 0.399 258 HD21 ASN 37 1HD2 ASN 37 -7.840 -10.455 0.477 259 HD22 ASN 37 2HD2 ASN 37 -6.475 -11.499 0.657 260 H GLY 38 H GLY 38 -11.338 -11.404 -3.611 261 HA2 GLY 38 1HA GLY 38 -13.514 -12.298 -4.241 262 HA3 GLY 38 2HA GLY 38 -13.854 -12.506 -2.529 263 H ALA 39 H ALA 39 -12.537 -9.727 -4.310 264 HA ALA 39 HA ALA 39 -14.915 -8.187 -3.511 265 HB1 ALA 39 1HB ALA 39 -12.431 -7.864 -2.369 266 HB2 ALA 39 2HB ALA 39 -12.482 -6.595 -3.593 267 HB3 ALA 39 3HB ALA 39 -13.739 -6.681 -2.359 268 H ARG 40 H ARG 40 -15.163 -6.152 -4.771 269 HA ARG 40 HA ARG 40 -13.855 -6.127 -7.372 270 HB2 ARG 40 1HB ARG 40 -16.860 -6.310 -7.092 271 HB3 ARG 40 2HB ARG 40 -15.980 -6.076 -8.596 272 HG2 ARG 40 1HG ARG 40 -15.542 -8.480 -6.857 273 HG3 ARG 40 2HG ARG 40 -16.813 -8.419 -8.080 274 HD2 ARG 40 1HD ARG 40 -13.889 -7.932 -8.628 275 HD3 ARG 40 2HD ARG 40 -14.701 -9.479 -8.862 276 HE ARG 40 HE ARG 40 -16.120 -7.526 -10.269 277 HH11 ARG 40 1HH1 ARG 40 -13.020 -9.108 -10.339 278 HH12 ARG 40 2HH1 ARG 40 -12.827 -8.941 -12.053 279 HH21 ARG 40 1HH2 ARG 40 -15.878 -7.300 -12.526 280 HH22 ARG 40 2HH2 ARG 40 -14.453 -7.912 -13.296 281 H GLY 41 H GLY 41 -13.130 -4.106 -7.492 282 HA2 GLY 41 1HA GLY 41 -14.895 -1.888 -7.561 283 HA3 GLY 41 2HA GLY 41 -14.037 -1.924 -6.028 284 H VAL 42 H VAL 42 -12.946 0.005 -6.477 285 HA VAL 42 HA VAL 42 -10.821 -0.258 -8.503 286 HB VAL 42 HB VAL 42 -12.223 2.299 -7.713 287 HG11 VAL 42 1HG1 VAL 42 -9.799 2.496 -8.292 288 HG12 VAL 42 2HG1 VAL 42 -10.188 1.856 -9.890 289 HG13 VAL 42 3HG1 VAL 42 -10.881 3.390 -9.360 290 HG21 VAL 42 1HG2 VAL 42 -12.990 2.255 -10.104 291 HG22 VAL 42 2HG2 VAL 42 -12.418 0.589 -10.185 292 HG23 VAL 42 3HG2 VAL 42 -13.710 1.024 -9.067 293 H ILE 43 H ILE 43 -8.846 -0.226 -7.672 294 HA ILE 43 HA ILE 43 -8.465 0.670 -4.922 295 HB ILE 43 HB ILE 43 -6.651 -0.841 -6.801 296 HG12 ILE 43 1HG1 ILE 43 -8.649 -2.006 -5.748 297 HG13 ILE 43 2HG1 ILE 43 -7.079 -2.736 -5.432 298 HG21 ILE 43 1HG2 ILE 43 -5.351 0.640 -5.342 299 HG22 ILE 43 2HG2 ILE 43 -6.146 -0.060 -3.934 300 HG23 ILE 43 3HG2 ILE 43 -5.100 -1.059 -4.942 301 HD11 ILE 43 1HD1 ILE 43 -8.521 -2.676 -3.450 302 HD12 ILE 43 2HD1 ILE 43 -7.032 -1.757 -3.228 303 HD13 ILE 43 3HD1 ILE 43 -8.550 -0.915 -3.542 304 H ASP 44 H ASP 44 -7.967 2.734 -4.620 305 HA ASP 44 HA ASP 44 -6.351 4.124 -6.641 306 HB2 ASP 44 1HB ASP 44 -8.617 5.041 -5.927 307 HB3 ASP 44 2HB ASP 44 -7.873 5.405 -4.373 308 H ALA 45 H ALA 45 -4.253 4.228 -6.223 309 HA ALA 45 HA ALA 45 -3.342 4.190 -3.434 310 HB1 ALA 45 1HB ALA 45 -2.275 2.479 -4.611 311 HB2 ALA 45 2HB ALA 45 -2.009 3.494 -6.029 312 HB3 ALA 45 3HB ALA 45 -1.078 3.773 -4.558 313 H ARG 46 H ARG 46 -2.417 5.913 -2.513 314 HA ARG 46 HA ARG 46 -1.147 7.973 -4.092 315 HB2 ARG 46 1HB ARG 46 -3.675 8.516 -2.533 316 HB3 ARG 46 2HB ARG 46 -2.569 9.779 -3.054 317 HG2 ARG 46 1HG ARG 46 -2.912 8.908 -5.410 318 HG3 ARG 46 2HG ARG 46 -4.249 7.964 -4.752 319 HD2 ARG 46 1HD ARG 46 -5.489 9.857 -4.222 320 HD3 ARG 46 2HD ARG 46 -4.073 10.908 -4.243 321 HE ARG 46 HE ARG 46 -5.699 10.135 -6.492 322 HH11 ARG 46 1HH1 ARG 46 -2.599 11.330 -5.451 323 HH12 ARG 46 2HH1 ARG 46 -2.227 12.071 -6.972 324 HH21 ARG 46 1HH2 ARG 46 -5.221 11.106 -8.500 325 HH22 ARG 46 2HH2 ARG 46 -3.719 11.943 -8.706 326 H VAL 47 H VAL 47 0.548 8.746 -3.012 327 HA VAL 47 HA VAL 47 0.731 8.183 -0.136 328 HB VAL 47 HB VAL 47 3.220 8.849 -0.623 329 HG11 VAL 47 1HG1 VAL 47 3.645 6.458 -1.355 330 HG12 VAL 47 2HG1 VAL 47 2.706 6.671 0.124 331 HG13 VAL 47 3HG1 VAL 47 1.893 6.261 -1.387 332 HG21 VAL 47 1HG2 VAL 47 3.969 8.378 -2.858 333 HG22 VAL 47 2HG2 VAL 47 2.334 7.952 -3.363 334 HG23 VAL 47 3HG2 VAL 47 2.718 9.618 -2.932 335 H HIS 48 H HIS 48 1.534 9.768 1.310 336 HA HIS 48 HA HIS 48 1.184 12.533 0.353 337 HB2 HIS 48 1HB HIS 48 0.479 11.272 3.001 338 HB3 HIS 48 2HB HIS 48 0.588 13.016 2.787 339 HD1 HIS 48 1HD HIS 48 -1.416 14.175 1.826 340 HD2 HIS 48 2HD HIS 48 -1.615 10.045 1.418 341 HE1 HIS 48 1HE HIS 48 -3.733 13.694 0.976 342 HE2 HIS 48 2HE HIS 48 -3.859 11.183 0.817 343 H THR 49 H THR 49 3.040 13.595 0.254 344 HA THR 49 HA THR 49 5.419 12.707 1.526 345 HB THR 49 HB THR 49 6.443 14.765 0.666 346 HG1 THR 49 1HG THR 49 3.754 15.488 0.374 347 HG21 THR 49 1HG2 THR 49 5.626 14.454 -1.795 348 HG22 THR 49 2HG2 THR 49 4.705 13.110 -1.120 349 HG23 THR 49 3HG2 THR 49 6.463 13.136 -0.977 350 HA PRO 50 HA PRO 50 5.230 14.690 5.442 351 HB2 PRO 50 1HB PRO 50 7.863 15.184 5.883 352 HB3 PRO 50 2HB PRO 50 7.163 13.563 5.963 353 HG2 PRO 50 1HG PRO 50 8.678 14.864 3.733 354 HG3 PRO 50 2HG PRO 50 8.815 13.213 4.364 355 HD2 PRO 50 1HD PRO 50 7.439 13.800 2.107 356 HD3 PRO 50 2HD PRO 50 6.970 12.478 3.195 357 H SER 51 H SER 51 6.310 16.311 2.652 358 HA SER 51 HA SER 51 6.886 18.830 3.936 359 HB2 SER 51 1HB SER 51 8.001 18.090 1.817 360 HB3 SER 51 2HB SER 51 6.453 18.277 0.992 361 HG SER 51 HG SER 51 7.928 20.310 2.317 362 H GLY 52 H GLY 52 4.509 17.971 1.413 363 HA2 GLY 52 1HA GLY 52 2.152 18.578 2.551 364 HA3 GLY 52 2HA GLY 52 2.816 20.176 2.241 365 H ALA 53 H ALA 53 3.338 17.380 0.181 366 HA ALA 53 HA ALA 53 1.585 18.607 -1.846 367 HB1 ALA 53 1HB ALA 53 4.329 17.431 -2.256 368 HB2 ALA 53 2HB ALA 53 3.223 17.853 -3.564 369 HB3 ALA 53 3HB ALA 53 3.837 19.109 -2.489 370 H VAL 54 H VAL 54 0.054 17.286 -2.564 371 HA VAL 54 HA VAL 54 -0.037 14.543 -1.756 372 HB VAL 54 HB VAL 54 -1.830 16.182 -3.543 373 HG11 VAL 54 1HG1 VAL 54 -2.105 14.015 -4.391 374 HG12 VAL 54 2HG1 VAL 54 -1.980 13.279 -2.792 375 HG13 VAL 54 3HG1 VAL 54 -3.417 14.205 -3.228 376 HG21 VAL 54 1HG2 VAL 54 -1.654 15.679 -0.693 377 HG22 VAL 54 2HG2 VAL 54 -2.594 16.888 -1.569 378 HG23 VAL 54 3HG2 VAL 54 -3.240 15.262 -1.343 379 H GLU 55 H GLU 55 1.338 13.156 -2.697 380 HA GLU 55 HA GLU 55 2.053 13.391 -5.485 381 HB2 GLU 55 1HB GLU 55 2.857 11.594 -3.229 382 HB3 GLU 55 2HB GLU 55 3.224 11.123 -4.882 383 HG2 GLU 55 1HG GLU 55 4.064 13.719 -3.614 384 HG3 GLU 55 2HG GLU 55 5.081 12.287 -3.753 385 H GLU 56 H GLU 56 2.091 11.194 -6.736 386 HA GLU 56 HA GLU 56 -0.522 9.876 -6.410 387 HB2 GLU 56 1HB GLU 56 -1.030 10.055 -8.665 388 HB3 GLU 56 2HB GLU 56 -0.266 11.604 -8.338 389 HG2 GLU 56 1HG GLU 56 1.204 9.240 -9.468 390 HG3 GLU 56 2HG GLU 56 0.437 10.479 -10.459 391 H CYS 57 H CYS 57 -0.650 7.702 -7.099 392 HA CYS 57 HA CYS 57 1.961 6.358 -7.173 393 HB2 CYS 57 1HB CYS 57 -0.757 5.245 -6.444 394 HB3 CYS 57 2HB CYS 57 0.761 4.357 -6.393 395 HG CYS 57 HG CYS 57 0.734 7.183 -4.584 396 H TYR 58 H TYR 58 1.581 4.018 -8.252 397 HA TYR 58 HA TYR 58 0.382 4.526 -10.897 398 HB2 TYR 58 1HB TYR 58 2.906 4.496 -10.846 399 HB3 TYR 58 2HB TYR 58 2.809 2.804 -10.373 400 HD1 TYR 58 1HD TYR 58 1.850 1.137 -11.955 401 HD2 TYR 58 2HD TYR 58 2.585 5.166 -13.107 402 HE1 TYR 58 1HE TYR 58 1.713 0.479 -14.321 403 HE2 TYR 58 2HE TYR 58 2.449 4.520 -15.477 404 HH TYR 58 HH TYR 58 1.274 2.567 -16.787 405 H VAL 59 H VAL 59 -1.417 3.353 -11.019 406 HA VAL 59 HA VAL 59 -1.260 0.499 -10.347 407 HB VAL 59 HB VAL 59 -2.398 1.453 -8.464 408 HG11 VAL 59 1HG1 VAL 59 -3.033 3.569 -9.682 409 HG12 VAL 59 2HG1 VAL 59 -4.414 2.682 -10.332 410 HG13 VAL 59 3HG1 VAL 59 -4.256 2.919 -8.591 411 HG21 VAL 59 1HG2 VAL 59 -3.672 -0.367 -8.557 412 HG22 VAL 59 2HG2 VAL 59 -4.889 0.591 -9.400 413 HG23 VAL 59 3HG2 VAL 59 -3.695 -0.325 -10.320 414 H SER 60 H SER 60 -1.735 -0.652 -12.088 415 HA SER 60 HA SER 60 -3.024 0.532 -14.365 416 HB2 SER 60 1HB SER 60 -2.726 -1.740 -15.375 417 HB3 SER 60 2HB SER 60 -1.231 -1.044 -14.749 418 HG SER 60 HG SER 60 -2.775 -2.682 -13.079 419 H GLU 61 H GLU 61 -4.751 -0.891 -15.513 420 HA GLU 61 HA GLU 61 -7.053 -0.900 -13.831 421 HB2 GLU 61 1HB GLU 61 -8.271 -1.598 -15.818 422 HB3 GLU 61 2HB GLU 61 -7.161 -0.293 -16.214 423 HG2 GLU 61 1HG GLU 61 -5.592 -1.890 -17.158 424 HG3 GLU 61 2HG GLU 61 -6.668 -3.218 -16.728 425 H LEU 62 H LEU 62 -8.501 -2.729 -13.527 426 HA LEU 62 HA LEU 62 -7.328 -4.898 -12.293 427 HB2 LEU 62 1HB LEU 62 -9.728 -4.115 -12.154 428 HB3 LEU 62 2HB LEU 62 -10.010 -4.997 -13.653 429 HG LEU 62 HG LEU 62 -9.168 -7.056 -12.385 430 HD11 LEU 62 1HD1 LEU 62 -9.466 -6.968 -9.954 431 HD12 LEU 62 2HD1 LEU 62 -9.740 -5.229 -10.056 432 HD13 LEU 62 3HD1 LEU 62 -8.170 -5.901 -10.497 433 HD21 LEU 62 1HD2 LEU 62 -11.564 -6.421 -12.994 434 HD22 LEU 62 2HD2 LEU 62 -11.728 -5.904 -11.316 435 HD23 LEU 62 3HD2 LEU 62 -11.343 -7.585 -11.688 436 H ASP 63 H ASP 63 -6.240 -6.593 -13.016 437 HA ASP 63 HA ASP 63 -6.746 -7.522 -15.767 438 HB2 ASP 63 1HB ASP 63 -4.190 -6.999 -14.323 439 HB3 ASP 63 2HB ASP 63 -4.239 -8.356 -15.446 440 H SER 64 H SER 64 -4.919 -8.747 -12.964 441 HA SER 64 HA SER 64 -6.338 -11.307 -13.284 442 HB2 SER 64 1HB SER 64 -3.539 -10.608 -12.540 443 HB3 SER 64 2HB SER 64 -4.251 -12.031 -11.782 444 HG SER 64 HG SER 64 -3.864 -13.028 -13.577 445 H ASP 65 H ASP 65 -8.033 -10.070 -12.007 446 HA ASP 65 HA ASP 65 -9.024 -9.427 -10.021 447 HB2 ASP 65 1HB ASP 65 -8.898 -11.451 -8.374 448 HB3 ASP 65 2HB ASP 65 -9.702 -11.645 -9.930 449 H LYS 66 H LYS 66 -6.430 -8.331 -10.187 450 HA LYS 66 HA LYS 66 -5.929 -7.875 -7.386 451 HB2 LYS 66 1HB LYS 66 -4.037 -9.432 -9.092 452 HB3 LYS 66 2HB LYS 66 -3.371 -8.311 -7.913 453 HG2 LYS 66 1HG LYS 66 -4.956 -9.522 -6.252 454 HG3 LYS 66 2HG LYS 66 -4.960 -10.798 -7.471 455 HD2 LYS 66 1HD LYS 66 -2.474 -9.612 -6.240 456 HD3 LYS 66 2HD LYS 66 -3.238 -11.112 -5.708 457 HE2 LYS 66 1HE LYS 66 -1.648 -11.933 -7.141 458 HE3 LYS 66 2HE LYS 66 -3.014 -11.754 -8.241 459 HZ1 LYS 66 1HZ LYS 66 -1.712 -10.487 -9.484 460 HZ2 LYS 66 2HZ LYS 66 -0.480 -10.490 -8.325 461 HZ3 LYS 66 3HZ LYS 66 -1.706 -9.326 -8.254 462 H HIS 67 H HIS 67 -4.259 -6.168 -7.064 463 HA HIS 67 HA HIS 67 -3.982 -4.435 -9.426 464 HB2 HIS 67 1HB HIS 67 -4.855 -3.637 -6.646 465 HB3 HIS 67 2HB HIS 67 -4.331 -2.481 -7.866 466 HD1 HIS 67 1HD HIS 67 -5.863 -2.344 -10.052 467 HD2 HIS 67 2HD HIS 67 -7.472 -4.422 -6.834 468 HE1 HIS 67 1HE HIS 67 -8.325 -2.527 -10.533 469 HE2 HIS 67 2HE HIS 67 -9.290 -3.713 -8.531 470 H THR 68 H THR 68 -2.050 -3.424 -9.668 471 HA THR 68 HA THR 68 0.004 -4.028 -7.647 472 HB THR 68 HB THR 68 0.469 -3.333 -10.551 473 HG1 THR 68 1HG THR 68 -0.451 -5.307 -10.663 474 HG21 THR 68 1HG2 THR 68 2.189 -3.604 -8.276 475 HG22 THR 68 2HG2 THR 68 2.606 -3.191 -9.940 476 HG23 THR 68 3HG2 THR 68 2.548 -4.881 -9.438 477 H ILE 69 H ILE 69 1.132 -2.421 -6.706 478 HA ILE 69 HA ILE 69 0.610 0.326 -7.641 479 HB ILE 69 HB ILE 69 1.403 -0.217 -4.814 480 HG12 ILE 69 1HG1 ILE 69 -0.469 -1.771 -5.285 481 HG13 ILE 69 2HG1 ILE 69 -0.919 -0.507 -4.146 482 HG21 ILE 69 1HG2 ILE 69 0.099 1.939 -6.375 483 HG22 ILE 69 2HG2 ILE 69 -0.382 1.748 -4.690 484 HG23 ILE 69 3HG2 ILE 69 1.310 2.038 -5.097 485 HD11 ILE 69 1HD1 ILE 69 -2.683 -0.127 -5.425 486 HD12 ILE 69 2HD1 ILE 69 -1.580 0.519 -6.641 487 HD13 ILE 69 3HD1 ILE 69 -2.063 -1.176 -6.699 488 H ARG 70 H ARG 70 2.306 1.792 -7.664 489 HA ARG 70 HA ARG 70 4.957 0.899 -6.856 490 HB2 ARG 70 1HB ARG 70 4.493 0.209 -9.284 491 HB3 ARG 70 2HB ARG 70 4.550 1.927 -9.656 492 HG2 ARG 70 1HG ARG 70 6.845 1.898 -8.514 493 HG3 ARG 70 2HG ARG 70 6.748 0.144 -8.683 494 HD2 ARG 70 1HD ARG 70 7.951 1.089 -10.558 495 HD3 ARG 70 2HD ARG 70 6.415 0.418 -11.105 496 HE ARG 70 HE ARG 70 6.181 3.187 -10.514 497 HH11 ARG 70 1HH1 ARG 70 7.362 0.949 -12.904 498 HH12 ARG 70 2HH1 ARG 70 7.192 2.062 -14.221 499 HH21 ARG 70 1HH2 ARG 70 5.951 4.662 -12.239 500 HH22 ARG 70 2HH2 ARG 70 6.390 4.174 -13.841 501 H PHE 71 H PHE 71 5.896 2.510 -5.803 502 HA PHE 71 HA PHE 71 5.830 5.209 -6.795 503 HB2 PHE 71 1HB PHE 71 4.897 6.161 -4.674 504 HB3 PHE 71 2HB PHE 71 3.724 5.264 -5.633 505 HD1 PHE 71 1HD PHE 71 6.084 4.832 -2.788 506 HD2 PHE 71 2HD PHE 71 2.434 3.638 -4.625 507 HE1 PHE 71 1HE PHE 71 5.559 3.437 -0.830 508 HE2 PHE 71 2HE PHE 71 1.903 2.242 -2.670 509 HZ PHE 71 HZ PHE 71 3.466 2.140 -0.769 510 H ILE 72 H ILE 72 7.447 6.500 -5.922 511 HA ILE 72 HA ILE 72 9.290 5.116 -4.085 512 HB ILE 72 HB ILE 72 9.943 7.080 -6.284 513 HG12 ILE 72 1HG1 ILE 72 10.953 4.260 -6.035 514 HG13 ILE 72 2HG1 ILE 72 9.395 4.592 -6.784 515 HG21 ILE 72 1HG2 ILE 72 12.169 5.703 -5.012 516 HG22 ILE 72 2HG2 ILE 72 11.969 7.409 -5.407 517 HG23 ILE 72 3HG2 ILE 72 11.296 6.766 -3.909 518 HD11 ILE 72 1HD1 ILE 72 11.696 6.162 -7.759 519 HD12 ILE 72 2HD1 ILE 72 11.666 4.444 -8.158 520 HD13 ILE 72 3HD1 ILE 72 10.325 5.484 -8.636 521 HA PRO 73 HA PRO 73 8.506 8.474 -1.305 522 HB2 PRO 73 1HB PRO 73 10.480 7.902 0.469 523 HB3 PRO 73 2HB PRO 73 8.976 6.978 0.375 524 HG2 PRO 73 1HG PRO 73 11.667 6.338 -0.770 525 HG3 PRO 73 2HG PRO 73 10.521 5.269 0.061 526 HD2 PRO 73 1HD PRO 73 10.768 5.326 -2.635 527 HD3 PRO 73 2HD PRO 73 9.226 4.984 -1.824 528 H HIS 74 H HIS 74 9.151 10.137 -2.797 529 HA HIS 74 HA HIS 74 11.646 10.895 -3.582 530 HB2 HIS 74 1HB HIS 74 9.226 12.511 -2.840 531 HB3 HIS 74 2HB HIS 74 10.714 13.315 -3.330 532 HD1 HIS 74 1HD HIS 74 9.138 10.204 -4.835 533 HD2 HIS 74 2HD HIS 74 10.134 14.105 -5.863 534 HE1 HIS 74 1HE HIS 74 8.660 10.394 -7.297 535 HE2 HIS 74 2HE HIS 74 9.350 12.736 -7.913 536 H GLU 75 H GLU 75 10.282 11.131 -0.390 537 HA GLU 75 HA GLU 75 12.852 12.185 0.575 538 HB2 GLU 75 1HB GLU 75 10.317 12.919 1.984 539 HB3 GLU 75 2HB GLU 75 11.866 13.750 1.973 540 HG2 GLU 75 1HG GLU 75 11.446 14.394 -0.383 541 HG3 GLU 75 2HG GLU 75 9.843 13.673 -0.252 542 H ASN 76 H ASN 76 12.603 12.043 3.211 543 HA ASN 76 HA ASN 76 12.209 9.179 3.682 544 HB2 ASN 76 1HB ASN 76 13.809 11.308 5.086 545 HB3 ASN 76 2HB ASN 76 13.464 9.765 5.862 546 HD21 ASN 76 1HD2 ASN 76 13.685 7.992 3.842 547 HD22 ASN 76 2HD2 ASN 76 15.297 7.984 3.221 548 H GLY 77 H GLY 77 11.556 8.694 6.065 549 HA2 GLY 77 1HA GLY 77 10.209 9.372 7.949 550 HA3 GLY 77 2HA GLY 77 9.402 10.526 6.897 551 H VAL 78 H VAL 78 7.644 9.222 8.195 552 HA VAL 78 HA VAL 78 6.934 6.739 6.833 553 HB VAL 78 HB VAL 78 5.566 8.125 9.144 554 HG11 VAL 78 1HG1 VAL 78 3.877 6.800 8.421 555 HG12 VAL 78 2HG1 VAL 78 4.960 5.697 7.570 556 HG13 VAL 78 3HG1 VAL 78 4.773 5.576 9.320 557 HG21 VAL 78 1HG2 VAL 78 7.608 5.924 9.024 558 HG22 VAL 78 2HG2 VAL 78 7.674 7.434 9.932 559 HG23 VAL 78 3HG2 VAL 78 6.558 6.160 10.421 560 H HIS 79 H HIS 79 6.035 7.114 4.890 561 HA HIS 79 HA HIS 79 4.346 9.368 4.365 562 HB2 HIS 79 1HB HIS 79 5.042 6.910 2.756 563 HB3 HIS 79 2HB HIS 79 3.967 8.171 2.161 564 HD1 HIS 79 1HD HIS 79 7.127 8.867 4.094 565 HD2 HIS 79 2HD HIS 79 5.660 9.148 0.218 566 HE1 HIS 79 1HE HIS 79 8.860 10.162 2.812 567 HE2 HIS 79 2HE HIS 79 7.911 10.393 0.490 568 H SER 80 H SER 80 2.145 9.054 3.376 569 HA SER 80 HA SER 80 0.653 7.029 4.913 570 HB2 SER 80 1HB SER 80 0.337 9.567 5.403 571 HB3 SER 80 2HB SER 80 -0.592 9.571 3.904 572 HG SER 80 HG SER 80 -1.394 8.826 6.309 573 H ILE 81 H ILE 81 -0.053 5.442 3.661 574 HA ILE 81 HA ILE 81 -0.506 5.900 0.821 575 HB ILE 81 HB ILE 81 -0.913 3.268 2.203 576 HG12 ILE 81 1HG1 ILE 81 1.311 4.339 2.847 577 HG13 ILE 81 2HG1 ILE 81 1.397 2.750 2.095 578 HG21 ILE 81 1HG2 ILE 81 -0.449 4.235 -0.564 579 HG22 ILE 81 2HG2 ILE 81 0.204 2.659 -0.121 580 HG23 ILE 81 3HG2 ILE 81 -1.526 2.970 0.028 581 HD11 ILE 81 1HD1 ILE 81 1.532 4.931 0.176 582 HD12 ILE 81 2HD1 ILE 81 2.839 4.950 1.360 583 HD13 ILE 81 3HD1 ILE 81 2.569 3.517 0.369 584 H ASP 82 H ASP 82 -2.430 6.715 0.299 585 HA ASP 82 HA ASP 82 -4.792 6.103 1.866 586 HB2 ASP 82 1HB ASP 82 -4.463 8.392 1.075 587 HB3 ASP 82 2HB ASP 82 -4.434 7.828 -0.593 588 H VAL 83 H VAL 83 -5.618 4.130 1.528 589 HA VAL 83 HA VAL 83 -5.899 3.187 -1.246 590 HB VAL 83 HB VAL 83 -6.049 1.554 1.291 591 HG11 VAL 83 1HG1 VAL 83 -7.112 0.144 -0.096 592 HG12 VAL 83 2HG1 VAL 83 -6.557 0.988 -1.543 593 HG13 VAL 83 3HG1 VAL 83 -5.500 -0.171 -0.737 594 HG21 VAL 83 1HG2 VAL 83 -3.843 0.901 0.991 595 HG22 VAL 83 2HG2 VAL 83 -3.809 1.425 -0.692 596 HG23 VAL 83 3HG2 VAL 83 -3.791 2.621 0.604 597 H LYS 84 H LYS 84 -7.849 3.457 -2.086 598 HA LYS 84 HA LYS 84 -10.193 3.222 -0.314 599 HB2 LYS 84 1HB LYS 84 -9.603 5.118 -2.558 600 HB3 LYS 84 2HB LYS 84 -11.270 4.689 -2.197 601 HG2 LYS 84 1HG LYS 84 -10.840 5.416 0.167 602 HG3 LYS 84 2HG LYS 84 -9.290 6.050 -0.391 603 HD2 LYS 84 1HD LYS 84 -10.461 7.495 -1.986 604 HD3 LYS 84 2HD LYS 84 -12.009 6.861 -1.423 605 HE2 LYS 84 1HE LYS 84 -11.593 8.986 -0.370 606 HE3 LYS 84 2HE LYS 84 -11.485 7.710 0.841 607 HZ1 LYS 84 1HZ LYS 84 -9.180 9.015 -0.503 608 HZ2 LYS 84 2HZ LYS 84 -9.077 7.793 0.662 609 HZ3 LYS 84 3HZ LYS 84 -9.695 9.311 1.081 610 H PHE 85 H PHE 85 -11.978 2.093 -1.063 611 HA PHE 85 HA PHE 85 -11.747 0.775 -3.671 612 HB2 PHE 85 1HB PHE 85 -10.928 -0.651 -1.646 613 HB3 PHE 85 2HB PHE 85 -12.644 -0.813 -1.288 614 HD1 PHE 85 1HD PHE 85 -10.587 -0.923 -4.403 615 HD2 PHE 85 2HD PHE 85 -13.475 -2.843 -1.935 616 HE1 PHE 85 1HE PHE 85 -10.746 -2.764 -6.027 617 HE2 PHE 85 2HE PHE 85 -13.638 -4.687 -3.555 618 HZ PHE 85 HZ PHE 85 -12.272 -4.650 -5.604 619 H ASN 86 H ASN 86 -13.553 1.048 -4.789 620 HA ASN 86 HA ASN 86 -15.709 1.541 -5.326 621 HB2 ASN 86 1HB ASN 86 -16.217 -0.105 -2.838 622 HB3 ASN 86 2HB ASN 86 -17.452 0.345 -4.010 623 HD21 ASN 86 1HD2 ASN 86 -15.191 -1.949 -3.135 624 HD22 ASN 86 2HD2 ASN 86 -15.168 -2.867 -4.599 625 H GLY 87 H GLY 87 -14.230 3.371 -3.526 626 HA2 GLY 87 1HA GLY 87 -14.778 5.472 -2.705 627 HA3 GLY 87 2HA GLY 87 -16.478 5.044 -2.828 628 H ALA 88 H ALA 88 -14.057 3.165 -1.106 629 HA ALA 88 HA ALA 88 -15.076 4.134 1.459 630 HB1 ALA 88 1HB ALA 88 -15.089 1.236 0.629 631 HB2 ALA 88 2HB ALA 88 -15.361 1.813 2.274 632 HB3 ALA 88 3HB ALA 88 -16.491 2.244 0.991 633 H HIS 89 H HIS 89 -13.686 3.748 3.231 634 HA HIS 89 HA HIS 89 -10.899 3.477 2.456 635 HB2 HIS 89 1HB HIS 89 -12.363 4.541 4.817 636 HB3 HIS 89 2HB HIS 89 -10.735 3.928 5.088 637 HD1 HIS 89 1HD HIS 89 -8.795 5.337 4.248 638 HD2 HIS 89 2HD HIS 89 -12.508 6.827 3.130 639 HE1 HIS 89 1HE HIS 89 -8.346 7.628 3.314 640 HE2 HIS 89 2HE HIS 89 -10.617 8.544 2.723 641 H ILE 90 H ILE 90 -9.699 1.715 2.757 642 HA ILE 90 HA ILE 90 -10.874 -0.687 3.753 643 HB ILE 90 HB ILE 90 -8.786 -1.760 3.249 644 HG12 ILE 90 1HG1 ILE 90 -7.494 0.856 2.559 645 HG13 ILE 90 2HG1 ILE 90 -7.479 0.290 4.226 646 HG21 ILE 90 1HG2 ILE 90 -8.552 -1.221 0.911 647 HG22 ILE 90 2HG2 ILE 90 -10.251 -1.110 1.368 648 HG23 ILE 90 3HG2 ILE 90 -9.295 0.358 1.165 649 HD11 ILE 90 1HD1 ILE 90 -5.743 -0.409 2.122 650 HD12 ILE 90 2HD1 ILE 90 -5.754 -1.011 3.780 651 HD13 ILE 90 3HD1 ILE 90 -6.677 -1.848 2.531 652 HA PRO 91 HA PRO 91 -9.763 -0.541 8.001 653 HB2 PRO 91 1HB PRO 91 -9.411 -3.184 8.513 654 HB3 PRO 91 2HB PRO 91 -11.002 -2.459 8.256 655 HG2 PRO 91 1HG PRO 91 -9.282 -3.982 6.337 656 HG3 PRO 91 2HG PRO 91 -11.031 -4.097 6.606 657 HD2 PRO 91 1HD PRO 91 -9.962 -2.718 4.535 658 HD3 PRO 91 2HD PRO 91 -11.477 -2.234 5.324 659 H GLY 92 H GLY 92 -7.800 0.447 8.254 660 HA2 GLY 92 1HA GLY 92 -5.633 -0.248 9.321 661 HA3 GLY 92 2HA GLY 92 -5.407 -1.249 7.894 662 H SER 93 H SER 93 -6.808 1.186 6.484 663 HA SER 93 HA SER 93 -4.284 2.480 5.822 664 HB2 SER 93 1HB SER 93 -5.316 2.080 3.819 665 HB3 SER 93 2HB SER 93 -6.935 2.192 4.509 666 HG SER 93 HG SER 93 -6.872 4.362 4.346 667 HA PRO 94 HA PRO 94 -3.928 4.421 4.507 668 HB2 PRO 94 1HB PRO 94 -2.032 6.206 5.272 669 HB3 PRO 94 2HB PRO 94 -3.533 6.684 4.471 670 HG2 PRO 94 1HG PRO 94 -2.838 6.741 7.382 671 HG3 PRO 94 2HG PRO 94 -3.685 7.959 6.410 672 HD2 PRO 94 1HD PRO 94 -4.988 6.225 8.030 673 HD3 PRO 94 2HD PRO 94 -5.692 6.832 6.518 674 H PHE 95 H PHE 95 -2.087 3.217 4.231 675 HA PHE 95 HA PHE 95 -1.135 1.769 6.533 676 HB2 PHE 95 1HB PHE 95 -0.579 1.603 3.579 677 HB3 PHE 95 2HB PHE 95 0.350 0.664 4.742 678 HD1 PHE 95 1HD PHE 95 -1.321 -0.501 6.574 679 HD2 PHE 95 2HD PHE 95 -2.241 0.446 2.528 680 HE1 PHE 95 1HE PHE 95 -3.066 -2.235 6.569 681 HE2 PHE 95 2HE PHE 95 -3.989 -1.286 2.517 682 HZ PHE 95 HZ PHE 95 -4.404 -2.629 4.540 683 H LYS 96 H LYS 96 0.207 2.864 7.838 684 HA LYS 96 HA LYS 96 2.084 4.799 6.911 685 HB2 LYS 96 1HB LYS 96 1.835 3.405 9.582 686 HB3 LYS 96 2HB LYS 96 2.910 4.758 9.259 687 HG2 LYS 96 1HG LYS 96 -0.070 4.899 8.896 688 HG3 LYS 96 2HG LYS 96 0.751 5.332 10.397 689 HD2 LYS 96 1HD LYS 96 1.957 7.089 9.309 690 HD3 LYS 96 2HD LYS 96 1.388 6.568 7.722 691 HE2 LYS 96 1HE LYS 96 -0.042 8.313 8.131 692 HE3 LYS 96 2HE LYS 96 -0.975 6.971 8.790 693 HZ1 LYS 96 1HZ LYS 96 0.177 9.233 10.136 694 HZ2 LYS 96 2HZ LYS 96 0.527 7.763 10.895 695 HZ3 LYS 96 3HZ LYS 96 -1.081 8.211 10.623 696 H ILE 97 H ILE 97 3.754 4.194 5.686 697 HA ILE 97 HA ILE 97 5.223 1.751 6.415 698 HB ILE 97 HB ILE 97 6.193 1.869 4.132 699 HG12 ILE 97 1HG1 ILE 97 4.132 4.038 3.684 700 HG13 ILE 97 2HG1 ILE 97 5.863 4.320 3.830 701 HG21 ILE 97 1HG2 ILE 97 4.416 0.366 4.360 702 HG22 ILE 97 2HG2 ILE 97 3.224 1.657 4.499 703 HG23 ILE 97 3HG2 ILE 97 3.992 1.330 2.946 704 HD11 ILE 97 1HD1 ILE 97 4.350 3.632 1.528 705 HD12 ILE 97 2HD1 ILE 97 6.071 3.999 1.657 706 HD13 ILE 97 3HD1 ILE 97 5.505 2.340 1.855 707 H ARG 98 H ARG 98 7.280 1.864 7.086 708 HA ARG 98 HA ARG 98 8.441 4.469 7.543 709 HB2 ARG 98 1HB ARG 98 8.503 2.511 9.173 710 HB3 ARG 98 2HB ARG 98 9.716 1.799 8.118 711 HG2 ARG 98 1HG ARG 98 11.246 3.555 8.539 712 HG3 ARG 98 2HG ARG 98 10.007 4.533 9.328 713 HD2 ARG 98 1HD ARG 98 10.056 3.284 11.256 714 HD3 ARG 98 2HD ARG 98 10.629 1.836 10.429 715 HE ARG 98 HE ARG 98 12.236 3.977 11.512 716 HH11 ARG 98 1HH1 ARG 98 12.102 1.271 9.325 717 HH12 ARG 98 2HH1 ARG 98 13.818 1.034 9.307 718 HH21 ARG 98 1HH2 ARG 98 14.497 3.674 11.496 719 HH22 ARG 98 2HH2 ARG 98 15.179 2.401 10.543 720 H VAL 99 H VAL 99 9.933 5.441 6.332 721 HA VAL 99 HA VAL 99 11.359 3.834 4.313 722 HB VAL 99 HB VAL 99 10.412 6.685 3.996 723 HG11 VAL 99 1HG1 VAL 99 11.483 4.979 1.789 724 HG12 VAL 99 2HG1 VAL 99 11.416 6.738 1.918 725 HG13 VAL 99 3HG1 VAL 99 12.596 5.828 2.862 726 HG21 VAL 99 1HG2 VAL 99 8.642 5.953 2.751 727 HG22 VAL 99 2HG2 VAL 99 9.451 4.460 2.273 728 HG23 VAL 99 3HG2 VAL 99 8.770 4.615 3.893 729 H GLY 100 H GLY 100 13.512 3.943 4.382 730 HA2 GLY 100 1HA GLY 100 15.621 4.902 4.653 731 HA3 GLY 100 2HA GLY 100 14.856 6.337 5.319 732 H GLU 101 H GLU 101 16.852 3.857 6.055 733 HA GLU 101 HA GLU 101 15.904 3.386 8.759 734 HB2 GLU 101 1HB GLU 101 18.192 2.334 7.121 735 HB3 GLU 101 2HB GLU 101 18.135 2.070 8.858 736 HG2 GLU 101 1HG GLU 101 15.938 0.984 8.588 737 HG3 GLU 101 2HG GLU 101 16.085 1.181 6.843 738 H GLN 102 H GLN 102 16.784 4.194 10.603 739 HA GLN 102 HA GLN 102 18.047 6.671 10.573 740 HB2 GLN 102 1HB GLN 102 18.351 6.395 12.958 741 HB3 GLN 102 2HB GLN 102 16.779 5.758 12.493 742 HG2 GLN 102 1HG GLN 102 17.501 3.529 12.723 743 HG3 GLN 102 2HG GLN 102 19.195 4.008 12.809 744 HE21 GLN 102 1HE2 GLN 102 16.381 3.330 14.550 745 HE22 GLN 102 2HE2 GLN 102 16.946 3.785 16.118 746 H SER 103 H SER 103 20.177 7.270 11.370 747 HA SER 103 HA SER 103 22.233 5.789 10.053 748 HB2 SER 103 1HB SER 103 22.144 8.301 11.689 749 HB3 SER 103 2HB SER 103 23.700 7.556 11.320 750 HG SER 103 HG SER 103 21.831 8.009 9.268 751 H GLN 104 H GLN 104 22.621 3.822 10.944 752 HA GLN 104 HA GLN 104 22.951 3.550 13.816 753 HB2 GLN 104 1HB GLN 104 21.820 1.855 12.210 754 HB3 GLN 104 2HB GLN 104 23.464 1.370 11.815 755 HG2 GLN 104 1HG GLN 104 23.825 1.006 14.280 756 HG3 GLN 104 2HG GLN 104 22.087 1.224 14.480 757 HE21 GLN 104 1HE2 GLN 104 24.526 -0.717 12.840 758 HE22 GLN 104 2HE2 GLN 104 23.569 -2.150 12.722 759 H ALA 105 H ALA 105 24.834 3.702 14.830 760 HA ALA 105 HA ALA 105 27.284 3.888 13.262 761 HB1 ALA 105 1HB ALA 105 28.306 4.716 15.315 762 HB2 ALA 105 2HB ALA 105 26.834 5.611 14.936 763 HB3 ALA 105 3HB ALA 105 26.818 4.382 16.201 764 H GLY 106 H GLY 106 26.367 2.269 16.317 765 HA2 GLY 106 1HA GLY 106 27.021 -0.315 15.670 766 HA3 GLY 106 2HA GLY 106 28.549 0.422 16.129 767 H SER 107 H SER 107 25.298 0.938 17.453 768 HA SER 107 HA SER 107 26.207 0.899 20.127 769 HB2 SER 107 1HB SER 107 23.398 0.561 19.046 770 HB3 SER 107 2HB SER 107 23.810 0.907 20.726 771 HG SER 107 HG SER 107 23.412 2.861 19.843 772 H GLY 108 H GLY 108 26.194 -0.671 21.679 773 HA2 GLY 108 1HA GLY 108 25.006 -3.264 21.141 774 HA3 GLY 108 2HA GLY 108 26.763 -3.249 21.197 775 HA PRO 109 HA PRO 109 25.393 -1.943 25.632 776 HB2 PRO 109 1HB PRO 109 22.729 -1.890 26.153 777 HB3 PRO 109 2HB PRO 109 23.618 -0.487 25.546 778 HG2 PRO 109 1HG PRO 109 21.917 -2.444 24.049 779 HG3 PRO 109 2HG PRO 109 21.989 -0.679 23.898 780 HD2 PRO 109 1HD PRO 109 23.242 -2.342 22.167 781 HD3 PRO 109 2HD PRO 109 23.886 -0.742 22.590 782 H SER 110 H SER 110 23.130 -4.201 24.080 783 HA SER 110 HA SER 110 22.624 -5.879 26.225 784 HB2 SER 110 1HB SER 110 22.113 -7.614 24.544 785 HB3 SER 110 2HB SER 110 21.427 -6.053 24.094 786 HG SER 110 HG SER 110 22.428 -6.920 22.299 787 H SER 111 H SER 111 23.386 -8.296 26.172 788 HA SER 111 HA SER 111 26.326 -8.330 25.975 789 HB2 SER 111 1HB SER 111 24.535 -9.119 28.226 790 HB3 SER 111 2HB SER 111 25.991 -10.076 27.956 791 HG SER 111 HG SER 111 27.051 -8.532 28.883 792 H GLY 112 H GLY 112 26.052 -9.299 23.884 793 HA2 GLY 112 1HA GLY 112 26.501 -11.367 22.807 794 HA3 GLY 112 2HA GLY 112 25.634 -12.194 24.092 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -30.076 2.277 -10.189 2 HA2 GLY 1 1HA GLY 1 -28.624 3.859 -9.348 3 HA3 GLY 1 2HA GLY 1 -29.987 4.939 -9.602 4 H SER 2 H SER 2 -31.766 4.309 -7.722 5 HA SER 2 HA SER 2 -30.467 5.235 -5.316 6 HB2 SER 2 1HB SER 2 -32.649 5.650 -4.473 7 HB3 SER 2 2HB SER 2 -32.724 6.050 -6.189 8 HG SER 2 HG SER 2 -33.587 3.908 -6.509 9 H SER 3 H SER 3 -29.793 4.005 -3.695 10 HA SER 3 HA SER 3 -31.121 1.487 -3.096 11 HB2 SER 3 1HB SER 3 -29.217 0.104 -3.299 12 HB3 SER 3 2HB SER 3 -29.215 1.077 -4.770 13 HG SER 3 HG SER 3 -27.800 2.532 -3.387 14 H GLY 4 H GLY 4 -30.347 0.540 -1.037 15 HA2 GLY 4 1HA GLY 4 -29.353 2.663 0.765 16 HA3 GLY 4 2HA GLY 4 -30.575 1.490 1.233 17 H SER 5 H SER 5 -29.876 -0.130 2.441 18 HA SER 5 HA SER 5 -27.307 -0.514 3.303 19 HB2 SER 5 1HB SER 5 -29.604 -2.451 3.060 20 HB3 SER 5 2HB SER 5 -28.065 -2.925 3.779 21 HG SER 5 HG SER 5 -29.569 -2.171 5.341 22 H SER 6 H SER 6 -25.661 -0.570 1.864 23 HA SER 6 HA SER 6 -25.776 -2.225 -0.498 24 HB2 SER 6 1HB SER 6 -23.862 -0.244 0.639 25 HB3 SER 6 2HB SER 6 -23.225 -1.440 -0.489 26 HG SER 6 HG SER 6 -24.019 -0.228 -1.996 27 H GLY 7 H GLY 7 -26.120 -3.778 1.771 28 HA2 GLY 7 1HA GLY 7 -25.375 -5.735 2.711 29 HA3 GLY 7 2HA GLY 7 -24.249 -5.828 1.365 30 H SER 8 H SER 8 -22.784 -6.790 2.924 31 HA SER 8 HA SER 8 -21.781 -5.140 5.068 32 HB2 SER 8 1HB SER 8 -20.727 -7.766 3.989 33 HB3 SER 8 2HB SER 8 -20.247 -7.002 5.504 34 HG SER 8 HG SER 8 -21.815 -8.194 6.266 35 H ASP 9 H ASP 9 -19.563 -4.470 5.262 36 HA ASP 9 HA ASP 9 -18.605 -3.128 2.975 37 HB2 ASP 9 1HB ASP 9 -17.452 -3.656 5.703 38 HB3 ASP 9 2HB ASP 9 -16.511 -2.829 4.464 39 H ASP 10 H ASP 10 -17.992 -4.313 1.255 40 HA ASP 10 HA ASP 10 -16.670 -6.809 1.403 41 HB2 ASP 10 1HB ASP 10 -16.509 -4.983 -0.982 42 HB3 ASP 10 2HB ASP 10 -16.574 -6.743 -0.944 43 H ALA 11 H ALA 11 -15.547 -3.513 1.327 44 HA ALA 11 HA ALA 11 -12.925 -3.829 0.488 45 HB1 ALA 11 1HB ALA 11 -12.867 -1.940 2.570 46 HB2 ALA 11 2HB ALA 11 -13.008 -1.640 0.838 47 HB3 ALA 11 3HB ALA 11 -14.460 -1.817 1.823 48 H ARG 12 H ARG 12 -14.425 -4.816 3.444 49 HA ARG 12 HA ARG 12 -12.166 -4.973 5.108 50 HB2 ARG 12 1HB ARG 12 -13.491 -6.235 6.573 51 HB3 ARG 12 2HB ARG 12 -14.645 -5.214 5.726 52 HG2 ARG 12 1HG ARG 12 -14.942 -7.212 4.141 53 HG3 ARG 12 2HG ARG 12 -14.145 -8.147 5.408 54 HD2 ARG 12 1HD ARG 12 -16.452 -6.376 6.093 55 HD3 ARG 12 2HD ARG 12 -16.746 -7.952 5.361 56 HE ARG 12 HE ARG 12 -14.991 -8.285 7.517 57 HH11 ARG 12 1HH1 ARG 12 -18.304 -7.414 6.893 58 HH12 ARG 12 2HH1 ARG 12 -18.885 -8.017 8.409 59 HH21 ARG 12 1HH2 ARG 12 -15.744 -9.083 9.516 60 HH22 ARG 12 2HH2 ARG 12 -17.428 -8.965 9.901 61 H ARG 13 H ARG 13 -13.037 -6.778 2.365 62 HA ARG 13 HA ARG 13 -11.620 -9.183 3.108 63 HB2 ARG 13 1HB ARG 13 -12.989 -8.247 0.598 64 HB3 ARG 13 2HB ARG 13 -12.010 -9.708 0.615 65 HG2 ARG 13 1HG ARG 13 -13.446 -10.744 2.207 66 HG3 ARG 13 2HG ARG 13 -14.329 -9.240 2.471 67 HD2 ARG 13 1HD ARG 13 -15.463 -9.397 0.482 68 HD3 ARG 13 2HD ARG 13 -14.196 -10.354 -0.286 69 HE ARG 13 HE ARG 13 -15.232 -12.251 0.459 70 HH11 ARG 13 1HH1 ARG 13 -16.449 -9.519 2.242 71 HH12 ARG 13 2HH1 ARG 13 -17.687 -10.428 3.044 72 HH21 ARG 13 1HH2 ARG 13 -16.858 -13.458 1.510 73 HH22 ARG 13 2HH2 ARG 13 -17.918 -12.668 2.628 74 H LEU 14 H LEU 14 -10.998 -6.255 1.304 75 HA LEU 14 HA LEU 14 -8.761 -6.992 -0.161 76 HB2 LEU 14 1HB LEU 14 -9.120 -4.339 1.214 77 HB3 LEU 14 2HB LEU 14 -8.193 -4.673 -0.247 78 HG LEU 14 HG LEU 14 -11.196 -4.856 -0.023 79 HD11 LEU 14 1HD1 LEU 14 -10.583 -2.850 -1.795 80 HD12 LEU 14 2HD1 LEU 14 -9.401 -2.616 -0.508 81 HD13 LEU 14 3HD1 LEU 14 -11.124 -2.630 -0.131 82 HD21 LEU 14 1HD2 LEU 14 -10.766 -4.705 -2.623 83 HD22 LEU 14 2HD2 LEU 14 -10.743 -6.251 -1.773 84 HD23 LEU 14 3HD2 LEU 14 -9.227 -5.440 -2.172 85 H THR 15 H THR 15 -6.585 -7.105 0.241 86 HA THR 15 HA THR 15 -5.544 -6.462 2.871 87 HB THR 15 HB THR 15 -4.477 -8.779 3.034 88 HG1 THR 15 1HG THR 15 -6.304 -9.141 0.940 89 HG21 THR 15 1HG2 THR 15 -6.359 -9.695 4.234 90 HG22 THR 15 2HG2 THR 15 -7.475 -8.646 3.361 91 HG23 THR 15 3HG2 THR 15 -6.315 -7.952 4.492 92 H VAL 16 H VAL 16 -3.179 -6.706 2.979 93 HA VAL 16 HA VAL 16 -1.840 -6.872 0.382 94 HB VAL 16 HB VAL 16 -1.469 -4.541 2.270 95 HG11 VAL 16 1HG1 VAL 16 -0.302 -4.768 -0.478 96 HG12 VAL 16 2HG1 VAL 16 0.200 -3.742 0.868 97 HG13 VAL 16 3HG1 VAL 16 0.523 -5.476 0.910 98 HG21 VAL 16 1HG2 VAL 16 -2.609 -4.531 -0.520 99 HG22 VAL 16 2HG2 VAL 16 -3.589 -4.518 0.946 100 HG23 VAL 16 3HG2 VAL 16 -2.502 -3.173 0.600 101 H THR 17 H THR 17 0.217 -7.661 0.466 102 HA THR 17 HA THR 17 1.368 -8.156 3.131 103 HB THR 17 HB THR 17 1.303 -10.120 0.831 104 HG1 THR 17 1HG THR 17 -0.095 -11.264 2.118 105 HG21 THR 17 1HG2 THR 17 2.178 -11.456 3.073 106 HG22 THR 17 2HG2 THR 17 3.007 -9.904 3.192 107 HG23 THR 17 3HG2 THR 17 3.197 -10.897 1.747 108 H SER 18 H SER 18 2.180 -8.455 -0.334 109 HA SER 18 HA SER 18 4.849 -8.394 -0.360 110 HB2 SER 18 1HB SER 18 2.855 -7.006 -2.100 111 HB3 SER 18 2HB SER 18 4.567 -6.664 -2.347 112 HG SER 18 HG SER 18 3.559 -9.303 -2.219 113 H LEU 19 H LEU 19 2.844 -5.500 0.114 114 HA LEU 19 HA LEU 19 4.685 -3.511 0.208 115 HB2 LEU 19 1HB LEU 19 2.392 -3.005 0.544 116 HB3 LEU 19 2HB LEU 19 2.320 -3.992 2.002 117 HG LEU 19 HG LEU 19 3.920 -2.316 3.041 118 HD11 LEU 19 1HD1 LEU 19 3.121 -0.093 1.472 119 HD12 LEU 19 2HD1 LEU 19 3.853 -1.286 0.399 120 HD13 LEU 19 3HD1 LEU 19 4.751 -0.687 1.794 121 HD21 LEU 19 1HD2 LEU 19 1.830 -2.110 3.922 122 HD22 LEU 19 2HD2 LEU 19 1.066 -1.877 2.349 123 HD23 LEU 19 3HD2 LEU 19 1.946 -0.549 3.108 124 H GLN 20 H GLN 20 6.575 -3.323 1.194 125 HA GLN 20 HA GLN 20 7.105 -4.836 3.627 126 HB2 GLN 20 1HB GLN 20 8.652 -4.566 1.509 127 HB3 GLN 20 2HB GLN 20 9.146 -3.087 2.322 128 HG2 GLN 20 1HG GLN 20 10.158 -4.203 4.044 129 HG3 GLN 20 2HG GLN 20 9.139 -5.630 3.862 130 HE21 GLN 20 1HE2 GLN 20 12.107 -5.195 3.967 131 HE22 GLN 20 2HE2 GLN 20 12.715 -6.023 2.578 132 H GLU 21 H GLU 21 6.086 -3.745 5.267 133 HA GLU 21 HA GLU 21 5.864 -1.030 5.659 134 HB2 GLU 21 1HB GLU 21 4.959 -3.074 7.036 135 HB3 GLU 21 2HB GLU 21 6.397 -2.804 8.010 136 HG2 GLU 21 1HG GLU 21 5.627 -0.396 8.213 137 HG3 GLU 21 2HG GLU 21 4.089 -0.946 7.549 138 H THR 22 H THR 22 8.370 -3.123 7.098 139 HA THR 22 HA THR 22 10.071 -0.733 7.379 140 HB THR 22 HB THR 22 11.153 -1.727 9.238 141 HG1 THR 22 1HG THR 22 11.437 -3.823 9.042 142 HG21 THR 22 1HG2 THR 22 8.173 -2.116 9.294 143 HG22 THR 22 2HG2 THR 22 9.130 -0.814 10.001 144 HG23 THR 22 3HG2 THR 22 9.172 -2.427 10.713 145 H GLY 23 H GLY 23 11.848 -0.621 6.170 146 HA2 GLY 23 1HA GLY 23 13.912 -2.018 5.620 147 HA3 GLY 23 2HA GLY 23 12.760 -3.086 4.832 148 H LEU 24 H LEU 24 11.360 -0.307 4.234 149 HA LEU 24 HA LEU 24 12.395 -0.140 1.563 150 HB2 LEU 24 1HB LEU 24 10.312 1.441 3.051 151 HB3 LEU 24 2HB LEU 24 10.739 1.747 1.369 152 HG LEU 24 HG LEU 24 9.444 -0.726 2.508 153 HD11 LEU 24 1HD1 LEU 24 7.508 -0.030 1.545 154 HD12 LEU 24 2HD1 LEU 24 8.330 0.855 0.261 155 HD13 LEU 24 3HD1 LEU 24 8.225 1.546 1.880 156 HD21 LEU 24 1HD2 LEU 24 10.712 -1.718 0.895 157 HD22 LEU 24 2HD2 LEU 24 10.845 -0.246 -0.067 158 HD23 LEU 24 3HD2 LEU 24 9.353 -1.187 -0.096 159 H LYS 25 H LYS 25 13.774 1.309 0.715 160 HA LYS 25 HA LYS 25 14.865 3.350 2.533 161 HB2 LYS 25 1HB LYS 25 16.183 2.211 0.066 162 HB3 LYS 25 2HB LYS 25 16.924 3.229 1.294 163 HG2 LYS 25 1HG LYS 25 17.709 1.213 1.969 164 HG3 LYS 25 2HG LYS 25 16.190 1.232 2.868 165 HD2 LYS 25 1HD LYS 25 16.099 -0.853 1.903 166 HD3 LYS 25 2HD LYS 25 15.248 0.110 0.693 167 HE2 LYS 25 1HE LYS 25 16.747 -1.197 -0.542 168 HE3 LYS 25 2HE LYS 25 17.524 0.382 -0.433 169 HZ1 LYS 25 1HZ LYS 25 18.151 -2.016 1.200 170 HZ2 LYS 25 2HZ LYS 25 18.828 -0.487 1.452 171 HZ3 LYS 25 3HZ LYS 25 19.129 -1.318 0.009 172 H VAL 26 H VAL 26 15.753 5.313 1.378 173 HA VAL 26 HA VAL 26 13.652 6.495 -0.161 174 HB VAL 26 HB VAL 26 14.982 7.788 1.474 175 HG11 VAL 26 1HG1 VAL 26 17.158 6.724 0.981 176 HG12 VAL 26 2HG1 VAL 26 17.207 7.596 -0.553 177 HG13 VAL 26 3HG1 VAL 26 17.237 8.486 0.970 178 HG21 VAL 26 1HG2 VAL 26 15.490 9.732 -0.141 179 HG22 VAL 26 2HG2 VAL 26 14.851 8.664 -1.390 180 HG23 VAL 26 3HG2 VAL 26 13.832 9.142 -0.032 181 H ASN 27 H ASN 27 13.712 7.239 -2.287 182 HA ASN 27 HA ASN 27 14.203 7.189 -4.507 183 HB2 ASN 27 1HB ASN 27 17.014 6.725 -3.484 184 HB3 ASN 27 2HB ASN 27 16.604 7.085 -5.159 185 HD21 ASN 27 1HD2 ASN 27 18.344 8.690 -3.888 186 HD22 ASN 27 2HD2 ASN 27 17.621 10.222 -3.543 187 H GLN 28 H GLN 28 13.271 4.820 -3.272 188 HA GLN 28 HA GLN 28 14.467 2.816 -5.062 189 HB2 GLN 28 1HB GLN 28 13.743 2.530 -2.158 190 HB3 GLN 28 2HB GLN 28 13.807 1.132 -3.223 191 HG2 GLN 28 1HG GLN 28 16.121 3.017 -2.947 192 HG3 GLN 28 2HG GLN 28 15.875 1.667 -1.841 193 HE21 GLN 28 1HE2 GLN 28 16.762 2.631 -5.036 194 HE22 GLN 28 2HE2 GLN 28 17.298 1.083 -5.584 195 HA PRO 29 HA PRO 29 10.284 2.490 -6.478 196 HB2 PRO 29 1HB PRO 29 10.641 0.311 -8.058 197 HB3 PRO 29 2HB PRO 29 11.190 1.929 -8.514 198 HG2 PRO 29 1HG PRO 29 12.750 -0.341 -7.341 199 HG3 PRO 29 2HG PRO 29 13.198 0.764 -8.653 200 HD2 PRO 29 1HD PRO 29 14.110 1.063 -6.121 201 HD3 PRO 29 2HD PRO 29 13.813 2.443 -7.198 202 H ALA 30 H ALA 30 9.158 1.901 -4.623 203 HA ALA 30 HA ALA 30 9.190 -0.929 -3.854 204 HB1 ALA 30 1HB ALA 30 7.861 -0.110 -1.877 205 HB2 ALA 30 2HB ALA 30 9.516 0.492 -1.987 206 HB3 ALA 30 3HB ALA 30 8.167 1.529 -2.453 207 H SER 31 H SER 31 7.658 -2.226 -4.602 208 HA SER 31 HA SER 31 4.981 -1.130 -5.106 209 HB2 SER 31 1HB SER 31 4.840 -2.533 -7.169 210 HB3 SER 31 2HB SER 31 6.037 -1.243 -7.283 211 HG SER 31 HG SER 31 6.984 -3.111 -8.028 212 H PHE 32 H PHE 32 3.270 -2.679 -5.015 213 HA PHE 32 HA PHE 32 3.893 -5.349 -4.059 214 HB2 PHE 32 1HB PHE 32 2.097 -4.818 -2.163 215 HB3 PHE 32 2HB PHE 32 3.820 -4.555 -1.913 216 HD1 PHE 32 2HD PHE 32 4.726 -2.205 -2.387 217 HD2 PHE 32 1HD PHE 32 0.590 -3.078 -1.892 218 HE1 PHE 32 2HE PHE 32 4.291 0.163 -1.882 219 HE2 PHE 32 1HE PHE 32 0.147 -0.711 -1.387 220 HZ PHE 32 HZ PHE 32 1.999 0.912 -1.380 221 H ALA 33 H ALA 33 1.638 -6.429 -3.440 222 HA ALA 33 HA ALA 33 -0.286 -5.673 -5.542 223 HB1 ALA 33 1HB ALA 33 -0.757 -8.304 -5.314 224 HB2 ALA 33 2HB ALA 33 0.391 -7.620 -6.466 225 HB3 ALA 33 3HB ALA 33 0.964 -8.276 -4.932 226 H VAL 34 H VAL 34 -2.330 -5.377 -4.908 227 HA VAL 34 HA VAL 34 -3.007 -6.001 -2.122 228 HB VAL 34 HB VAL 34 -4.490 -4.210 -4.051 229 HG11 VAL 34 1HG1 VAL 34 -6.008 -3.853 -2.444 230 HG12 VAL 34 2HG1 VAL 34 -5.397 -5.350 -1.738 231 HG13 VAL 34 3HG1 VAL 34 -4.787 -3.794 -1.173 232 HG21 VAL 34 1HG2 VAL 34 -2.142 -3.746 -2.343 233 HG22 VAL 34 2HG2 VAL 34 -2.696 -2.876 -3.774 234 HG23 VAL 34 3HG2 VAL 34 -3.424 -2.543 -2.203 235 H GLN 35 H GLN 35 -4.031 -7.865 -1.831 236 HA GLN 35 HA GLN 35 -5.548 -9.105 -3.948 237 HB2 GLN 35 1HB GLN 35 -4.141 -10.437 -2.417 238 HB3 GLN 35 2HB GLN 35 -5.170 -9.960 -1.073 239 HG2 GLN 35 1HG GLN 35 -7.015 -11.168 -1.943 240 HG3 GLN 35 2HG GLN 35 -6.190 -11.446 -3.476 241 HE21 GLN 35 1HE2 GLN 35 -5.832 -13.545 -3.615 242 HE22 GLN 35 2HE2 GLN 35 -5.130 -14.536 -2.386 243 H LEU 36 H LEU 36 -7.706 -9.155 -4.189 244 HA LEU 36 HA LEU 36 -9.304 -7.403 -2.545 245 HB2 LEU 36 1HB LEU 36 -10.340 -9.187 -4.722 246 HB3 LEU 36 2HB LEU 36 -10.994 -7.652 -4.153 247 HG LEU 36 HG LEU 36 -8.351 -7.848 -5.577 248 HD11 LEU 36 1HD1 LEU 36 -11.123 -7.668 -6.701 249 HD12 LEU 36 2HD1 LEU 36 -9.792 -8.715 -7.190 250 HD13 LEU 36 3HD1 LEU 36 -9.737 -6.991 -7.555 251 HD21 LEU 36 1HD2 LEU 36 -8.276 -5.634 -5.361 252 HD22 LEU 36 2HD2 LEU 36 -9.596 -5.791 -4.201 253 HD23 LEU 36 3HD2 LEU 36 -9.947 -5.451 -5.896 254 H ASN 37 H ASN 37 -9.076 -10.870 -3.181 255 HA ASN 37 HA ASN 37 -9.872 -12.684 -2.063 256 HB2 ASN 37 1HB ASN 37 -10.053 -10.623 0.136 257 HB3 ASN 37 2HB ASN 37 -10.454 -12.320 0.390 258 HD21 ASN 37 1HD2 ASN 37 -8.104 -10.129 0.788 259 HD22 ASN 37 2HD2 ASN 37 -6.712 -11.151 0.728 260 H GLY 38 H GLY 38 -11.661 -11.319 -3.740 261 HA2 GLY 38 1HA GLY 38 -13.939 -12.185 -4.033 262 HA3 GLY 38 2HA GLY 38 -14.209 -11.829 -2.333 263 H ALA 39 H ALA 39 -12.773 -9.251 -2.542 264 HA ALA 39 HA ALA 39 -14.968 -7.582 -3.046 265 HB1 ALA 39 1HB ALA 39 -12.446 -7.287 -1.935 266 HB2 ALA 39 2HB ALA 39 -12.437 -6.206 -3.329 267 HB3 ALA 39 3HB ALA 39 -13.681 -6.038 -2.091 268 H ARG 40 H ARG 40 -15.347 -6.057 -4.706 269 HA ARG 40 HA ARG 40 -13.825 -6.340 -7.179 270 HB2 ARG 40 1HB ARG 40 -16.678 -7.141 -6.806 271 HB3 ARG 40 2HB ARG 40 -16.201 -6.408 -8.332 272 HG2 ARG 40 1HG ARG 40 -14.806 -8.796 -7.156 273 HG3 ARG 40 2HG ARG 40 -16.179 -8.920 -8.258 274 HD2 ARG 40 1HD ARG 40 -14.924 -7.652 -9.943 275 HD3 ARG 40 2HD ARG 40 -13.551 -7.558 -8.841 276 HE ARG 40 HE ARG 40 -14.060 -10.229 -9.068 277 HH11 ARG 40 1HH1 ARG 40 -13.394 -7.651 -11.310 278 HH12 ARG 40 2HH1 ARG 40 -12.622 -8.682 -12.468 279 HH21 ARG 40 1HH2 ARG 40 -13.046 -11.597 -10.584 280 HH22 ARG 40 2HH2 ARG 40 -12.425 -10.927 -12.055 281 H GLY 41 H GLY 41 -13.224 -4.298 -7.525 282 HA2 GLY 41 1HA GLY 41 -15.101 -2.298 -8.203 283 HA3 GLY 41 2HA GLY 41 -14.507 -2.007 -6.575 284 H VAL 42 H VAL 42 -13.159 -0.329 -6.736 285 HA VAL 42 HA VAL 42 -10.906 -0.575 -8.607 286 HB VAL 42 HB VAL 42 -12.447 1.974 -8.094 287 HG11 VAL 42 1HG1 VAL 42 -9.861 1.988 -8.461 288 HG12 VAL 42 2HG1 VAL 42 -10.297 1.685 -10.144 289 HG13 VAL 42 3HG1 VAL 42 -10.885 3.133 -9.327 290 HG21 VAL 42 1HG2 VAL 42 -12.867 -0.118 -9.969 291 HG22 VAL 42 2HG2 VAL 42 -13.722 1.417 -9.825 292 HG23 VAL 42 3HG2 VAL 42 -12.288 1.299 -10.845 293 H ILE 43 H ILE 43 -8.993 -0.328 -7.654 294 HA ILE 43 HA ILE 43 -8.927 0.653 -4.896 295 HB ILE 43 HB ILE 43 -6.857 -0.864 -6.488 296 HG12 ILE 43 1HG1 ILE 43 -9.051 -1.976 -5.606 297 HG13 ILE 43 2HG1 ILE 43 -7.507 -2.781 -5.347 298 HG21 ILE 43 1HG2 ILE 43 -5.735 0.578 -4.928 299 HG22 ILE 43 2HG2 ILE 43 -6.820 0.085 -3.628 300 HG23 ILE 43 3HG2 ILE 43 -5.679 -1.073 -4.312 301 HD11 ILE 43 1HD1 ILE 43 -9.073 -1.167 -3.353 302 HD12 ILE 43 2HD1 ILE 43 -8.779 -2.907 -3.336 303 HD13 ILE 43 3HD1 ILE 43 -7.444 -1.783 -3.073 304 H ASP 44 H ASP 44 -8.208 2.619 -4.446 305 HA ASP 44 HA ASP 44 -6.611 4.032 -6.474 306 HB2 ASP 44 1HB ASP 44 -8.888 4.948 -5.720 307 HB3 ASP 44 2HB ASP 44 -8.090 5.341 -4.199 308 H ALA 45 H ALA 45 -4.545 4.404 -6.046 309 HA ALA 45 HA ALA 45 -3.653 4.299 -3.238 310 HB1 ALA 45 1HB ALA 45 -1.413 3.949 -4.864 311 HB2 ALA 45 2HB ALA 45 -2.249 2.717 -3.917 312 HB3 ALA 45 3HB ALA 45 -2.684 2.976 -5.606 313 H ARG 46 H ARG 46 -2.669 6.031 -2.398 314 HA ARG 46 HA ARG 46 -1.356 7.976 -4.102 315 HB2 ARG 46 1HB ARG 46 -3.902 8.531 -2.621 316 HB3 ARG 46 2HB ARG 46 -2.716 9.813 -2.829 317 HG2 ARG 46 1HG ARG 46 -2.809 9.290 -5.312 318 HG3 ARG 46 2HG ARG 46 -4.243 8.330 -4.941 319 HD2 ARG 46 1HD ARG 46 -4.964 10.541 -3.689 320 HD3 ARG 46 2HD ARG 46 -3.840 11.276 -4.832 321 HE ARG 46 HE ARG 46 -6.425 10.165 -5.413 322 HH11 ARG 46 1HH1 ARG 46 -3.292 10.954 -6.711 323 HH12 ARG 46 2HH1 ARG 46 -3.857 11.080 -8.345 324 HH21 ARG 46 1HH2 ARG 46 -7.180 10.329 -7.559 325 HH22 ARG 46 2HH2 ARG 46 -6.068 10.726 -8.826 326 H VAL 47 H VAL 47 0.454 8.599 -3.133 327 HA VAL 47 HA VAL 47 0.766 8.111 -0.267 328 HB VAL 47 HB VAL 47 3.205 8.631 -0.760 329 HG11 VAL 47 1HG1 VAL 47 3.021 6.400 -0.516 330 HG12 VAL 47 2HG1 VAL 47 1.635 6.289 -1.602 331 HG13 VAL 47 3HG1 VAL 47 3.268 6.385 -2.262 332 HG21 VAL 47 1HG2 VAL 47 3.851 9.300 -2.780 333 HG22 VAL 47 2HG2 VAL 47 3.006 7.961 -3.558 334 HG23 VAL 47 3HG2 VAL 47 2.147 9.461 -3.206 335 H HIS 48 H HIS 48 1.439 9.682 1.186 336 HA HIS 48 HA HIS 48 1.162 12.458 0.238 337 HB2 HIS 48 1HB HIS 48 0.520 11.287 2.952 338 HB3 HIS 48 2HB HIS 48 0.439 13.001 2.556 339 HD1 HIS 48 1HD HIS 48 -1.862 13.735 2.085 340 HD2 HIS 48 2HD HIS 48 -1.257 9.780 0.963 341 HE1 HIS 48 1HE HIS 48 -4.072 12.947 1.180 342 HE2 HIS 48 2HE HIS 48 -3.705 10.527 0.587 343 H THR 49 H THR 49 2.929 13.664 0.332 344 HA THR 49 HA THR 49 5.292 12.690 1.678 345 HB THR 49 HB THR 49 6.448 14.579 0.669 346 HG1 THR 49 1HG THR 49 4.371 15.917 0.880 347 HG21 THR 49 1HG2 THR 49 5.868 14.139 -1.747 348 HG22 THR 49 2HG2 THR 49 4.549 13.123 -1.165 349 HG23 THR 49 3HG2 THR 49 6.219 12.706 -0.782 350 HA PRO 50 HA PRO 50 4.910 15.000 5.400 351 HB2 PRO 50 1HB PRO 50 7.532 15.310 6.031 352 HB3 PRO 50 2HB PRO 50 6.683 13.767 6.183 353 HG2 PRO 50 1HG PRO 50 8.487 14.728 3.996 354 HG3 PRO 50 2HG PRO 50 8.421 13.135 4.773 355 HD2 PRO 50 1HD PRO 50 7.292 13.628 2.361 356 HD3 PRO 50 2HD PRO 50 6.617 12.454 3.510 357 H SER 51 H SER 51 6.284 16.272 2.578 358 HA SER 51 HA SER 51 7.139 18.797 3.620 359 HB2 SER 51 1HB SER 51 6.755 17.639 0.886 360 HB3 SER 51 2HB SER 51 6.920 19.386 1.058 361 HG SER 51 HG SER 51 8.882 18.886 2.284 362 H GLY 52 H GLY 52 4.194 17.554 2.135 363 HA2 GLY 52 1HA GLY 52 2.138 18.642 3.071 364 HA3 GLY 52 2HA GLY 52 2.916 20.165 2.667 365 H ALA 53 H ALA 53 3.287 17.478 0.521 366 HA ALA 53 HA ALA 53 1.277 18.644 -1.291 367 HB1 ALA 53 1HB ALA 53 3.293 19.370 -2.223 368 HB2 ALA 53 2HB ALA 53 4.106 17.841 -1.887 369 HB3 ALA 53 3HB ALA 53 2.881 17.929 -3.153 370 H VAL 54 H VAL 54 -0.191 17.239 -1.988 371 HA VAL 54 HA VAL 54 -0.083 14.490 -1.246 372 HB VAL 54 HB VAL 54 -1.996 15.982 -3.042 373 HG11 VAL 54 1HG1 VAL 54 -2.310 13.835 -3.798 374 HG12 VAL 54 2HG1 VAL 54 -1.857 13.109 -2.254 375 HG13 VAL 54 3HG1 VAL 54 -3.434 13.877 -2.440 376 HG21 VAL 54 1HG2 VAL 54 -3.407 15.235 -0.864 377 HG22 VAL 54 2HG2 VAL 54 -1.814 15.474 -0.147 378 HG23 VAL 54 3HG2 VAL 54 -2.593 16.791 -1.023 379 H GLU 55 H GLU 55 0.973 12.929 -2.263 380 HA GLU 55 HA GLU 55 1.746 13.307 -5.059 381 HB2 GLU 55 1HB GLU 55 2.767 11.639 -2.803 382 HB3 GLU 55 2HB GLU 55 3.050 11.087 -4.448 383 HG2 GLU 55 1HG GLU 55 3.763 13.868 -3.604 384 HG3 GLU 55 2HG GLU 55 4.847 12.511 -3.305 385 H GLU 56 H GLU 56 1.740 11.297 -6.441 386 HA GLU 56 HA GLU 56 -0.740 9.775 -5.971 387 HB2 GLU 56 1HB GLU 56 -1.091 9.703 -8.361 388 HB3 GLU 56 2HB GLU 56 -0.891 11.375 -7.857 389 HG2 GLU 56 1HG GLU 56 1.444 9.812 -8.871 390 HG3 GLU 56 2HG GLU 56 0.294 10.539 -9.992 391 H CYS 57 H CYS 57 -0.791 7.644 -7.113 392 HA CYS 57 HA CYS 57 1.863 6.373 -6.977 393 HB2 CYS 57 1HB CYS 57 -0.873 5.282 -6.311 394 HB3 CYS 57 2HB CYS 57 0.552 4.263 -6.479 395 HG CYS 57 HG CYS 57 -0.436 6.096 -3.903 396 H TYR 58 H TYR 58 1.585 4.056 -8.166 397 HA TYR 58 HA TYR 58 0.524 4.653 -10.851 398 HB2 TYR 58 1HB TYR 58 2.895 4.745 -11.037 399 HB3 TYR 58 2HB TYR 58 3.100 3.294 -10.062 400 HD1 TYR 58 2HD TYR 58 2.036 4.565 -13.359 401 HD2 TYR 58 1HD TYR 58 2.977 1.123 -11.042 402 HE1 TYR 58 2HE TYR 58 2.075 3.205 -15.408 403 HE2 TYR 58 1HE TYR 58 3.020 -0.247 -13.085 404 HH TYR 58 HH TYR 58 2.702 -0.289 -15.281 405 H VAL 59 H VAL 59 -1.159 3.393 -11.262 406 HA VAL 59 HA VAL 59 -0.997 0.546 -10.553 407 HB VAL 59 HB VAL 59 -2.440 1.323 -8.871 408 HG11 VAL 59 1HG1 VAL 59 -4.042 2.997 -9.052 409 HG12 VAL 59 2HG1 VAL 59 -2.744 3.575 -10.099 410 HG13 VAL 59 3HG1 VAL 59 -4.174 2.818 -10.801 411 HG21 VAL 59 1HG2 VAL 59 -4.281 0.501 -11.113 412 HG22 VAL 59 2HG2 VAL 59 -3.291 -0.617 -10.174 413 HG23 VAL 59 3HG2 VAL 59 -4.562 0.314 -9.382 414 H SER 60 H SER 60 -0.690 -0.212 -12.590 415 HA SER 60 HA SER 60 -1.652 0.726 -14.974 416 HB2 SER 60 1HB SER 60 -0.033 -1.129 -14.767 417 HB3 SER 60 2HB SER 60 -1.332 -2.191 -14.224 418 HG SER 60 HG SER 60 -0.632 -1.502 -16.734 419 H GLU 61 H GLU 61 -3.112 -2.165 -13.502 420 HA GLU 61 HA GLU 61 -5.746 -1.168 -13.428 421 HB2 GLU 61 1HB GLU 61 -6.709 -2.442 -15.316 422 HB3 GLU 61 2HB GLU 61 -5.615 -1.172 -15.846 423 HG2 GLU 61 1HG GLU 61 -3.945 -2.697 -16.437 424 HG3 GLU 61 2HG GLU 61 -4.693 -4.003 -15.520 425 H LEU 62 H LEU 62 -7.330 -3.254 -13.590 426 HA LEU 62 HA LEU 62 -6.501 -4.918 -11.426 427 HB2 LEU 62 1HB LEU 62 -8.805 -4.291 -11.607 428 HB3 LEU 62 2HB LEU 62 -8.915 -4.982 -13.224 429 HG LEU 62 HG LEU 62 -8.350 -7.219 -11.998 430 HD11 LEU 62 1HD1 LEU 62 -9.814 -6.734 -9.709 431 HD12 LEU 62 2HD1 LEU 62 -8.716 -5.358 -9.804 432 HD13 LEU 62 3HD1 LEU 62 -8.072 -6.999 -9.801 433 HD21 LEU 62 1HD2 LEU 62 -10.887 -7.326 -11.376 434 HD22 LEU 62 2HD2 LEU 62 -10.388 -7.175 -13.060 435 HD23 LEU 62 3HD2 LEU 62 -10.942 -5.754 -12.173 436 H ASP 63 H ASP 63 -4.984 -6.418 -11.755 437 HA ASP 63 HA ASP 63 -5.246 -8.157 -14.121 438 HB2 ASP 63 1HB ASP 63 -3.183 -6.953 -14.279 439 HB3 ASP 63 2HB ASP 63 -2.785 -7.294 -12.597 440 H SER 64 H SER 64 -6.102 -10.047 -13.586 441 HA SER 64 HA SER 64 -6.551 -11.992 -12.494 442 HB2 SER 64 1HB SER 64 -3.777 -11.390 -11.495 443 HB3 SER 64 2HB SER 64 -4.662 -12.801 -10.915 444 HG SER 64 HG SER 64 -4.953 -13.249 -13.268 445 H ASP 65 H ASP 65 -7.698 -9.674 -11.444 446 HA ASP 65 HA ASP 65 -8.863 -8.940 -9.633 447 HB2 ASP 65 1HB ASP 65 -8.297 -11.788 -8.954 448 HB3 ASP 65 2HB ASP 65 -8.914 -10.744 -7.677 449 H LYS 66 H LYS 66 -5.965 -8.481 -9.861 450 HA LYS 66 HA LYS 66 -5.511 -7.663 -7.091 451 HB2 LYS 66 1HB LYS 66 -3.814 -9.519 -8.675 452 HB3 LYS 66 2HB LYS 66 -2.986 -8.313 -7.700 453 HG2 LYS 66 1HG LYS 66 -3.105 -10.020 -6.200 454 HG3 LYS 66 2HG LYS 66 -4.619 -9.191 -5.831 455 HD2 LYS 66 1HD LYS 66 -5.230 -11.442 -5.987 456 HD3 LYS 66 2HD LYS 66 -5.674 -10.771 -7.559 457 HE2 LYS 66 1HE LYS 66 -3.977 -11.861 -8.655 458 HE3 LYS 66 2HE LYS 66 -2.958 -11.943 -7.219 459 HZ1 LYS 66 1HZ LYS 66 -5.436 -13.431 -7.057 460 HZ2 LYS 66 2HZ LYS 66 -3.875 -13.871 -6.578 461 HZ3 LYS 66 3HZ LYS 66 -4.332 -14.012 -8.200 462 H HIS 67 H HIS 67 -4.584 -5.690 -6.891 463 HA HIS 67 HA HIS 67 -3.900 -4.300 -9.390 464 HB2 HIS 67 1HB HIS 67 -4.951 -3.322 -6.743 465 HB3 HIS 67 2HB HIS 67 -4.224 -2.221 -7.910 466 HD1 HIS 67 1HD HIS 67 -5.547 -1.762 -10.090 467 HD2 HIS 67 2HD HIS 67 -7.496 -4.263 -7.405 468 HE1 HIS 67 1HE HIS 67 -7.923 -1.899 -10.902 469 HE2 HIS 67 2HE HIS 67 -9.103 -3.348 -9.214 470 H THR 68 H THR 68 -1.909 -3.507 -9.715 471 HA THR 68 HA THR 68 0.068 -3.909 -7.583 472 HB THR 68 HB THR 68 0.643 -3.365 -10.497 473 HG1 THR 68 1HG THR 68 -0.243 -5.307 -10.696 474 HG21 THR 68 1HG2 THR 68 2.641 -4.936 -9.376 475 HG22 THR 68 2HG2 THR 68 2.250 -3.768 -8.114 476 HG23 THR 68 3HG2 THR 68 2.732 -3.209 -9.716 477 H ILE 69 H ILE 69 1.064 -2.244 -6.634 478 HA ILE 69 HA ILE 69 0.626 0.443 -7.763 479 HB ILE 69 HB ILE 69 1.348 -0.006 -4.891 480 HG12 ILE 69 1HG1 ILE 69 -0.577 -1.460 -5.279 481 HG13 ILE 69 2HG1 ILE 69 -1.054 -0.058 -4.327 482 HG21 ILE 69 1HG2 ILE 69 0.264 2.109 -4.565 483 HG22 ILE 69 2HG2 ILE 69 1.389 2.258 -5.914 484 HG23 ILE 69 3HG2 ILE 69 -0.340 2.105 -6.222 485 HD11 ILE 69 1HD1 ILE 69 -1.372 0.150 -7.255 486 HD12 ILE 69 2HD1 ILE 69 -2.458 -0.947 -6.400 487 HD13 ILE 69 3HD1 ILE 69 -2.392 0.757 -5.951 488 H ARG 70 H ARG 70 2.330 1.797 -8.061 489 HA ARG 70 HA ARG 70 4.978 0.927 -7.145 490 HB2 ARG 70 1HB ARG 70 4.335 0.369 -9.643 491 HB3 ARG 70 2HB ARG 70 4.716 2.068 -9.893 492 HG2 ARG 70 1HG ARG 70 6.953 1.776 -9.273 493 HG3 ARG 70 2HG ARG 70 6.629 0.212 -8.523 494 HD2 ARG 70 1HD ARG 70 6.228 0.694 -11.462 495 HD3 ARG 70 2HD ARG 70 7.786 0.207 -10.797 496 HE ARG 70 HE ARG 70 6.176 -1.671 -9.797 497 HH11 ARG 70 1HH1 ARG 70 6.459 -0.375 -13.016 498 HH12 ARG 70 2HH1 ARG 70 5.973 -1.846 -13.791 499 HH21 ARG 70 1HH2 ARG 70 5.535 -3.614 -10.806 500 HH22 ARG 70 2HH2 ARG 70 5.446 -3.687 -12.533 501 H PHE 71 H PHE 71 5.960 2.517 -6.098 502 HA PHE 71 HA PHE 71 5.915 5.224 -7.063 503 HB2 PHE 71 1HB PHE 71 5.023 6.169 -4.920 504 HB3 PHE 71 2HB PHE 71 3.826 5.300 -5.874 505 HD1 PHE 71 1HD PHE 71 6.216 4.797 -3.066 506 HD2 PHE 71 2HD PHE 71 2.520 3.689 -4.863 507 HE1 PHE 71 1HE PHE 71 5.694 3.390 -1.116 508 HE2 PHE 71 2HE PHE 71 1.992 2.281 -2.916 509 HZ PHE 71 HZ PHE 71 3.579 2.130 -1.039 510 H ILE 72 H ILE 72 7.561 6.485 -6.203 511 HA ILE 72 HA ILE 72 9.424 5.049 -4.427 512 HB ILE 72 HB ILE 72 9.945 6.942 -6.703 513 HG12 ILE 72 1HG1 ILE 72 11.229 4.291 -6.042 514 HG13 ILE 72 2HG1 ILE 72 9.771 4.427 -7.018 515 HG21 ILE 72 1HG2 ILE 72 12.418 6.312 -5.643 516 HG22 ILE 72 2HG2 ILE 72 11.599 7.869 -5.533 517 HG23 ILE 72 3HG2 ILE 72 11.437 6.693 -4.229 518 HD11 ILE 72 1HD1 ILE 72 11.680 6.211 -8.091 519 HD12 ILE 72 2HD1 ILE 72 12.477 4.660 -7.823 520 HD13 ILE 72 3HD1 ILE 72 11.018 4.743 -8.809 521 HA PRO 73 HA PRO 73 8.688 8.300 -1.511 522 HB2 PRO 73 1HB PRO 73 10.696 7.667 0.203 523 HB3 PRO 73 2HB PRO 73 9.192 6.744 0.103 524 HG2 PRO 73 1HG PRO 73 11.862 6.153 -1.116 525 HG3 PRO 73 2HG PRO 73 10.735 5.052 -0.303 526 HD2 PRO 73 1HD PRO 73 10.930 5.209 -2.999 527 HD3 PRO 73 2HD PRO 73 9.405 4.833 -2.173 528 H HIS 74 H HIS 74 9.288 10.041 -2.910 529 HA HIS 74 HA HIS 74 11.804 10.814 -3.691 530 HB2 HIS 74 1HB HIS 74 9.363 12.410 -2.960 531 HB3 HIS 74 2HB HIS 74 10.846 13.211 -3.469 532 HD1 HIS 74 1HD HIS 74 8.798 10.297 -4.838 533 HD2 HIS 74 2HD HIS 74 10.715 13.761 -6.099 534 HE1 HIS 74 1HE HIS 74 8.420 10.408 -7.322 535 HE2 HIS 74 2HE HIS 74 9.661 12.467 -8.075 536 H GLU 75 H GLU 75 10.235 11.351 -0.575 537 HA GLU 75 HA GLU 75 12.824 12.284 0.477 538 HB2 GLU 75 1HB GLU 75 10.289 13.072 1.832 539 HB3 GLU 75 2HB GLU 75 11.826 13.921 1.748 540 HG2 GLU 75 1HG GLU 75 10.071 13.607 -0.659 541 HG3 GLU 75 2HG GLU 75 9.842 14.917 0.498 542 H ASN 76 H ASN 76 12.762 12.088 3.010 543 HA ASN 76 HA ASN 76 12.245 9.280 3.555 544 HB2 ASN 76 1HB ASN 76 13.814 11.441 4.928 545 HB3 ASN 76 2HB ASN 76 13.403 9.961 5.788 546 HD21 ASN 76 1HD2 ASN 76 13.654 8.055 3.895 547 HD22 ASN 76 2HD2 ASN 76 15.288 7.970 3.339 548 H GLY 77 H GLY 77 11.593 8.906 6.007 549 HA2 GLY 77 1HA GLY 77 10.148 9.524 7.798 550 HA3 GLY 77 2HA GLY 77 9.406 10.721 6.747 551 H VAL 78 H VAL 78 7.843 9.037 8.243 552 HA VAL 78 HA VAL 78 7.030 6.755 6.690 553 HB VAL 78 HB VAL 78 5.744 8.074 9.083 554 HG11 VAL 78 1HG1 VAL 78 4.443 5.965 9.255 555 HG12 VAL 78 2HG1 VAL 78 4.042 6.927 7.830 556 HG13 VAL 78 3HG1 VAL 78 5.065 5.498 7.672 557 HG21 VAL 78 1HG2 VAL 78 6.579 5.957 10.201 558 HG22 VAL 78 2HG2 VAL 78 7.562 5.700 8.760 559 HG23 VAL 78 3HG2 VAL 78 7.807 7.139 9.749 560 H HIS 79 H HIS 79 5.958 7.001 4.845 561 HA HIS 79 HA HIS 79 4.317 9.336 4.363 562 HB2 HIS 79 1HB HIS 79 5.076 6.960 2.663 563 HB3 HIS 79 2HB HIS 79 3.957 8.204 2.114 564 HD1 HIS 79 1HD HIS 79 7.187 8.779 4.007 565 HD2 HIS 79 2HD HIS 79 5.518 9.468 0.265 566 HE1 HIS 79 1HE HIS 79 8.848 10.218 2.784 567 HE2 HIS 79 2HE HIS 79 7.778 10.692 0.554 568 H SER 80 H SER 80 2.110 9.103 3.475 569 HA SER 80 HA SER 80 0.656 6.973 4.897 570 HB2 SER 80 1HB SER 80 0.259 9.408 5.553 571 HB3 SER 80 2HB SER 80 -0.521 9.599 3.983 572 HG SER 80 HG SER 80 -2.217 8.901 5.013 573 H ILE 81 H ILE 81 0.096 5.395 3.551 574 HA ILE 81 HA ILE 81 -0.427 5.950 0.746 575 HB ILE 81 HB ILE 81 -0.698 3.254 2.041 576 HG12 ILE 81 1HG1 ILE 81 1.502 4.443 2.632 577 HG13 ILE 81 2HG1 ILE 81 1.617 2.846 1.901 578 HG21 ILE 81 1HG2 ILE 81 0.535 3.108 -0.464 579 HG22 ILE 81 2HG2 ILE 81 -1.127 2.679 -0.061 580 HG23 ILE 81 3HG2 ILE 81 -0.750 4.304 -0.635 581 HD11 ILE 81 1HD1 ILE 81 2.680 3.625 0.104 582 HD12 ILE 81 2HD1 ILE 81 1.630 5.036 -0.028 583 HD13 ILE 81 3HD1 ILE 81 2.988 5.050 1.096 584 H ASP 82 H ASP 82 -2.387 6.643 0.209 585 HA ASP 82 HA ASP 82 -4.710 5.974 1.798 586 HB2 ASP 82 1HB ASP 82 -4.895 8.156 1.077 587 HB3 ASP 82 2HB ASP 82 -4.136 7.820 -0.477 588 H VAL 83 H VAL 83 -5.678 4.079 1.531 589 HA VAL 83 HA VAL 83 -5.843 2.953 -1.189 590 HB VAL 83 HB VAL 83 -5.772 1.552 1.482 591 HG11 VAL 83 1HG1 VAL 83 -7.297 0.211 0.429 592 HG12 VAL 83 2HG1 VAL 83 -6.704 0.614 -1.184 593 HG13 VAL 83 3HG1 VAL 83 -5.799 -0.505 -0.164 594 HG21 VAL 83 1HG2 VAL 83 -3.588 1.495 1.054 595 HG22 VAL 83 2HG2 VAL 83 -3.954 0.412 -0.289 596 HG23 VAL 83 3HG2 VAL 83 -3.823 2.148 -0.568 597 H LYS 84 H LYS 84 -7.782 3.507 -1.979 598 HA LYS 84 HA LYS 84 -10.140 3.144 -0.251 599 HB2 LYS 84 1HB LYS 84 -9.492 5.102 -2.406 600 HB3 LYS 84 2HB LYS 84 -11.170 4.615 -2.205 601 HG2 LYS 84 1HG LYS 84 -10.723 5.192 0.307 602 HG3 LYS 84 2HG LYS 84 -9.410 6.161 -0.368 603 HD2 LYS 84 1HD LYS 84 -12.119 6.398 -1.582 604 HD3 LYS 84 2HD LYS 84 -11.827 7.166 -0.019 605 HE2 LYS 84 1HE LYS 84 -10.170 8.569 -0.891 606 HE3 LYS 84 2HE LYS 84 -9.964 7.578 -2.334 607 HZ1 LYS 84 1HZ LYS 84 -12.627 8.600 -2.056 608 HZ2 LYS 84 2HZ LYS 84 -11.579 8.667 -3.382 609 HZ3 LYS 84 3HZ LYS 84 -11.470 9.831 -2.158 610 H PHE 85 H PHE 85 -12.000 2.151 -1.129 611 HA PHE 85 HA PHE 85 -11.617 0.716 -3.661 612 HB2 PHE 85 1HB PHE 85 -11.099 -0.736 -1.642 613 HB3 PHE 85 2HB PHE 85 -12.800 -0.595 -1.214 614 HD1 PHE 85 1HD PHE 85 -10.848 -1.309 -4.318 615 HD2 PHE 85 2HD PHE 85 -14.056 -2.425 -1.753 616 HE1 PHE 85 1HE PHE 85 -11.372 -3.199 -5.803 617 HE2 PHE 85 2HE PHE 85 -14.585 -4.318 -3.234 618 HZ PHE 85 HZ PHE 85 -13.242 -4.707 -5.261 619 H ASN 86 H ASN 86 -13.108 1.774 -4.854 620 HA ASN 86 HA ASN 86 -15.110 2.635 -5.534 621 HB2 ASN 86 1HB ASN 86 -15.747 0.011 -4.259 622 HB3 ASN 86 2HB ASN 86 -17.085 1.044 -4.755 623 HD21 ASN 86 1HD2 ASN 86 -17.133 -1.187 -6.001 624 HD22 ASN 86 2HD2 ASN 86 -16.490 -1.100 -7.603 625 H GLY 87 H GLY 87 -14.236 4.049 -3.404 626 HA2 GLY 87 1HA GLY 87 -15.034 5.623 -1.925 627 HA3 GLY 87 2HA GLY 87 -16.661 5.105 -2.342 628 H ALA 88 H ALA 88 -13.961 3.319 -0.873 629 HA ALA 88 HA ALA 88 -15.276 3.247 1.697 630 HB1 ALA 88 1HB ALA 88 -14.768 0.511 0.822 631 HB2 ALA 88 2HB ALA 88 -16.157 1.193 1.668 632 HB3 ALA 88 3HB ALA 88 -16.047 1.316 -0.088 633 H HIS 89 H HIS 89 -13.588 3.734 2.943 634 HA HIS 89 HA HIS 89 -10.899 3.157 2.312 635 HB2 HIS 89 1HB HIS 89 -12.352 4.241 4.670 636 HB3 HIS 89 2HB HIS 89 -10.725 3.624 4.941 637 HD1 HIS 89 1HD HIS 89 -8.798 5.069 4.193 638 HD2 HIS 89 2HD HIS 89 -12.476 6.468 2.860 639 HE1 HIS 89 1HE HIS 89 -8.340 7.339 3.215 640 HE2 HIS 89 2HE HIS 89 -10.593 8.202 2.492 641 H ILE 90 H ILE 90 -9.645 1.439 2.712 642 HA ILE 90 HA ILE 90 -10.842 -0.968 3.711 643 HB ILE 90 HB ILE 90 -8.771 -2.057 3.188 644 HG12 ILE 90 1HG1 ILE 90 -7.470 0.549 2.472 645 HG13 ILE 90 2HG1 ILE 90 -7.433 -0.020 4.137 646 HG21 ILE 90 1HG2 ILE 90 -9.396 0.051 1.124 647 HG22 ILE 90 2HG2 ILE 90 -8.498 -1.438 0.830 648 HG23 ILE 90 3HG2 ILE 90 -10.197 -1.511 1.297 649 HD11 ILE 90 1HD1 ILE 90 -5.697 -0.694 2.057 650 HD12 ILE 90 2HD1 ILE 90 -5.762 -1.390 3.676 651 HD13 ILE 90 3HD1 ILE 90 -6.670 -2.133 2.359 652 HA PRO 91 HA PRO 91 -9.671 -0.768 7.941 653 HB2 PRO 91 1HB PRO 91 -9.321 -3.404 8.485 654 HB3 PRO 91 2HB PRO 91 -10.914 -2.677 8.240 655 HG2 PRO 91 1HG PRO 91 -9.225 -4.233 6.318 656 HG3 PRO 91 2HG PRO 91 -10.971 -4.338 6.613 657 HD2 PRO 91 1HD PRO 91 -9.926 -2.992 4.508 658 HD3 PRO 91 2HD PRO 91 -11.428 -2.491 5.311 659 H GLY 92 H GLY 92 -7.702 0.219 8.147 660 HA2 GLY 92 1HA GLY 92 -5.522 -0.479 9.195 661 HA3 GLY 92 2HA GLY 92 -5.318 -1.486 7.769 662 H SER 93 H SER 93 -6.740 0.954 6.379 663 HA SER 93 HA SER 93 -4.219 2.247 5.688 664 HB2 SER 93 1HB SER 93 -5.250 1.819 3.690 665 HB3 SER 93 2HB SER 93 -6.869 1.925 4.380 666 HG SER 93 HG SER 93 -6.768 4.128 4.273 667 HA PRO 94 HA PRO 94 -3.878 4.176 4.352 668 HB2 PRO 94 1HB PRO 94 -1.994 5.983 5.097 669 HB3 PRO 94 2HB PRO 94 -3.500 6.442 4.292 670 HG2 PRO 94 1HG PRO 94 -2.803 6.534 7.202 671 HG3 PRO 94 2HG PRO 94 -3.659 7.735 6.218 672 HD2 PRO 94 1HD PRO 94 -4.948 6.009 7.858 673 HD3 PRO 94 2HD PRO 94 -5.658 6.595 6.340 674 H PHE 95 H PHE 95 -2.025 2.988 4.086 675 HA PHE 95 HA PHE 95 -1.065 1.562 6.397 676 HB2 PHE 95 1HB PHE 95 -0.487 1.392 3.447 677 HB3 PHE 95 2HB PHE 95 0.436 0.460 4.621 678 HD1 PHE 95 1HD PHE 95 -1.261 -0.694 6.448 679 HD2 PHE 95 2HD PHE 95 -2.118 0.207 2.377 680 HE1 PHE 95 1HE PHE 95 -2.997 -2.437 6.432 681 HE2 PHE 95 2HE PHE 95 -3.857 -1.534 2.355 682 HZ PHE 95 HZ PHE 95 -4.298 -2.858 4.384 683 H LYS 96 H LYS 96 0.349 2.526 7.700 684 HA LYS 96 HA LYS 96 2.139 4.572 6.846 685 HB2 LYS 96 1HB LYS 96 2.144 2.972 9.412 686 HB3 LYS 96 2HB LYS 96 3.020 4.470 9.131 687 HG2 LYS 96 1HG LYS 96 0.048 4.370 8.821 688 HG3 LYS 96 2HG LYS 96 0.786 4.539 10.416 689 HD2 LYS 96 1HD LYS 96 1.699 6.336 8.222 690 HD3 LYS 96 2HD LYS 96 0.134 6.650 8.976 691 HE2 LYS 96 1HE LYS 96 1.105 6.970 11.096 692 HE3 LYS 96 2HE LYS 96 2.635 6.251 10.594 693 HZ1 LYS 96 1HZ LYS 96 2.158 8.401 8.906 694 HZ2 LYS 96 2HZ LYS 96 3.340 8.277 10.108 695 HZ3 LYS 96 3HZ LYS 96 1.832 8.950 10.472 696 H ILE 97 H ILE 97 3.800 4.136 5.546 697 HA ILE 97 HA ILE 97 5.353 1.680 6.022 698 HB ILE 97 HB ILE 97 6.256 2.109 3.693 699 HG12 ILE 97 1HG1 ILE 97 3.801 3.737 3.192 700 HG13 ILE 97 2HG1 ILE 97 5.221 4.542 3.852 701 HG21 ILE 97 1HG2 ILE 97 3.313 1.536 4.017 702 HG22 ILE 97 2HG2 ILE 97 4.278 1.143 2.595 703 HG23 ILE 97 3HG2 ILE 97 4.630 0.368 4.139 704 HD11 ILE 97 1HD1 ILE 97 5.018 4.644 1.377 705 HD12 ILE 97 2HD1 ILE 97 6.527 3.938 1.955 706 HD13 ILE 97 3HD1 ILE 97 5.245 2.896 1.337 707 H ARG 98 H ARG 98 7.341 1.866 6.809 708 HA ARG 98 HA ARG 98 8.475 4.462 7.295 709 HB2 ARG 98 1HB ARG 98 8.629 2.515 8.882 710 HB3 ARG 98 2HB ARG 98 9.752 1.765 7.756 711 HG2 ARG 98 1HG ARG 98 10.322 4.519 8.726 712 HG3 ARG 98 2HG ARG 98 10.611 3.151 9.803 713 HD2 ARG 98 1HD ARG 98 12.264 2.271 8.459 714 HD3 ARG 98 2HD ARG 98 11.648 3.058 7.007 715 HE ARG 98 HE ARG 98 12.986 4.845 7.474 716 HH11 ARG 98 1HH1 ARG 98 12.555 2.985 10.386 717 HH12 ARG 98 2HH1 ARG 98 13.676 3.928 11.310 718 HH21 ARG 98 1HH2 ARG 98 14.465 6.094 8.681 719 HH22 ARG 98 2HH2 ARG 98 14.762 5.697 10.339 720 H VAL 99 H VAL 99 10.167 5.432 6.295 721 HA VAL 99 HA VAL 99 11.452 3.982 4.076 722 HB VAL 99 HB VAL 99 10.626 6.888 4.029 723 HG11 VAL 99 1HG1 VAL 99 11.657 7.110 2.003 724 HG12 VAL 99 2HG1 VAL 99 12.742 5.943 2.761 725 HG13 VAL 99 3HG1 VAL 99 11.516 5.395 1.618 726 HG21 VAL 99 1HG2 VAL 99 9.327 4.406 3.074 727 HG22 VAL 99 2HG2 VAL 99 8.612 5.922 3.623 728 HG23 VAL 99 3HG2 VAL 99 9.278 5.800 1.994 729 H GLY 100 H GLY 100 13.581 3.869 4.314 730 HA2 GLY 100 1HA GLY 100 15.318 5.968 4.765 731 HA3 GLY 100 2HA GLY 100 14.953 5.313 6.354 732 H GLU 101 H GLU 101 17.522 5.342 5.139 733 HA GLU 101 HA GLU 101 18.147 2.819 3.994 734 HB2 GLU 101 1HB GLU 101 20.463 3.455 4.278 735 HB3 GLU 101 2HB GLU 101 19.546 4.842 3.706 736 HG2 GLU 101 1HG GLU 101 20.825 5.809 5.329 737 HG3 GLU 101 2HG GLU 101 19.374 5.410 6.248 738 H GLN 102 H GLN 102 18.835 0.945 4.903 739 HA GLN 102 HA GLN 102 18.447 0.674 7.777 740 HB2 GLN 102 1HB GLN 102 19.171 -1.634 6.029 741 HB3 GLN 102 2HB GLN 102 18.098 -1.578 7.421 742 HG2 GLN 102 1HG GLN 102 16.422 -0.409 6.090 743 HG3 GLN 102 2HG GLN 102 17.498 -0.452 4.695 744 HE21 GLN 102 1HE2 GLN 102 17.253 -2.076 3.338 745 HE22 GLN 102 2HE2 GLN 102 16.458 -3.571 3.676 746 H SER 103 H SER 103 19.985 -0.294 9.160 747 HA SER 103 HA SER 103 22.648 0.561 8.727 748 HB2 SER 103 1HB SER 103 21.440 0.232 10.965 749 HB3 SER 103 2HB SER 103 21.817 -1.481 10.787 750 HG SER 103 HG SER 103 23.672 -0.971 11.614 751 H GLN 104 H GLN 104 23.226 -0.447 6.738 752 HA GLN 104 HA GLN 104 24.034 -2.102 5.380 753 HB2 GLN 104 1HB GLN 104 25.734 -1.739 7.357 754 HB3 GLN 104 2HB GLN 104 25.252 -3.372 7.797 755 HG2 GLN 104 1HG GLN 104 25.881 -4.114 5.516 756 HG3 GLN 104 2HG GLN 104 26.489 -2.489 5.201 757 HE21 GLN 104 1HE2 GLN 104 28.618 -2.820 5.042 758 HE22 GLN 104 2HE2 GLN 104 29.606 -3.516 6.276 759 H ALA 105 H ALA 105 21.416 -2.635 6.411 760 HA ALA 105 HA ALA 105 21.479 -5.565 6.702 761 HB1 ALA 105 1HB ALA 105 19.119 -5.277 7.539 762 HB2 ALA 105 2HB ALA 105 20.383 -4.610 8.573 763 HB3 ALA 105 3HB ALA 105 19.423 -3.540 7.553 764 H GLY 106 H GLY 106 20.274 -6.859 5.346 765 HA2 GLY 106 1HA GLY 106 18.227 -6.433 3.697 766 HA3 GLY 106 2HA GLY 106 19.517 -5.627 2.818 767 H SER 107 H SER 107 17.898 -8.017 2.152 768 HA SER 107 HA SER 107 19.329 -10.390 2.416 769 HB2 SER 107 1HB SER 107 17.476 -9.438 0.225 770 HB3 SER 107 2HB SER 107 18.119 -11.079 0.299 771 HG SER 107 HG SER 107 16.884 -10.036 2.580 772 H GLY 108 H GLY 108 20.972 -11.350 1.307 773 HA2 GLY 108 1HA GLY 108 22.473 -9.596 -0.514 774 HA3 GLY 108 2HA GLY 108 23.141 -10.951 0.384 775 HA PRO 109 HA PRO 109 22.857 -13.391 -3.252 776 HB2 PRO 109 1HB PRO 109 22.732 -15.867 -2.146 777 HB3 PRO 109 2HB PRO 109 24.212 -14.903 -2.176 778 HG2 PRO 109 1HG PRO 109 22.244 -15.284 0.047 779 HG3 PRO 109 2HG PRO 109 24.017 -15.274 0.111 780 HD2 PRO 109 1HD PRO 109 22.521 -13.132 0.825 781 HD3 PRO 109 2HD PRO 109 24.130 -12.972 0.091 782 H SER 110 H SER 110 20.685 -12.506 -3.721 783 HA SER 110 HA SER 110 18.536 -14.433 -3.134 784 HB2 SER 110 1HB SER 110 18.340 -11.946 -2.426 785 HB3 SER 110 2HB SER 110 18.061 -11.637 -4.140 786 HG SER 110 HG SER 110 16.214 -12.182 -2.552 787 H SER 111 H SER 111 17.216 -15.173 -4.794 788 HA SER 111 HA SER 111 16.767 -15.961 -6.882 789 HB2 SER 111 1HB SER 111 16.434 -13.343 -7.060 790 HB3 SER 111 2HB SER 111 17.838 -13.458 -8.120 791 HG SER 111 HG SER 111 16.432 -15.310 -9.043 792 H GLY 112 H GLY 112 19.217 -16.763 -5.862 793 HA2 GLY 112 1HA GLY 112 20.498 -17.959 -7.934 794 HA3 GLY 112 2HA GLY 112 21.279 -16.388 -7.845 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -34.861 3.270 -4.204 2 HA2 GLY 1 1HA GLY 1 -36.914 2.258 -4.994 3 HA3 GLY 1 2HA GLY 1 -36.661 3.071 -6.532 4 H SER 2 H SER 2 -35.662 1.997 -8.125 5 HA SER 2 HA SER 2 -34.786 -0.726 -7.563 6 HB2 SER 2 1HB SER 2 -36.367 -0.334 -9.421 7 HB3 SER 2 2HB SER 2 -35.166 0.683 -10.217 8 HG SER 2 HG SER 2 -35.319 -1.637 -10.851 9 H SER 3 H SER 3 -32.781 -0.397 -6.597 10 HA SER 3 HA SER 3 -30.753 1.288 -7.466 11 HB2 SER 3 1HB SER 3 -30.686 -1.342 -5.994 12 HB3 SER 3 2HB SER 3 -29.213 -0.439 -6.348 13 HG SER 3 HG SER 3 -31.347 0.919 -5.159 14 H GLY 4 H GLY 4 -30.032 1.390 -9.498 15 HA2 GLY 4 1HA GLY 4 -30.002 -0.835 -11.277 16 HA3 GLY 4 2HA GLY 4 -29.278 0.740 -11.573 17 H SER 5 H SER 5 -27.272 1.096 -10.032 18 HA SER 5 HA SER 5 -25.404 -0.971 -10.762 19 HB2 SER 5 1HB SER 5 -25.173 1.747 -9.506 20 HB3 SER 5 2HB SER 5 -23.801 0.639 -9.473 21 HG SER 5 HG SER 5 -23.485 1.603 -11.354 22 H SER 6 H SER 6 -24.765 -2.611 -9.537 23 HA SER 6 HA SER 6 -25.870 -3.198 -7.044 24 HB2 SER 6 1HB SER 6 -24.892 -4.897 -8.549 25 HB3 SER 6 2HB SER 6 -23.284 -4.257 -8.212 26 HG SER 6 HG SER 6 -23.372 -5.731 -6.691 27 H GLY 7 H GLY 7 -24.451 -3.704 -5.059 28 HA2 GLY 7 1HA GLY 7 -22.289 -1.804 -4.633 29 HA3 GLY 7 2HA GLY 7 -23.743 -1.528 -3.684 30 H SER 8 H SER 8 -21.157 -3.828 -4.348 31 HA SER 8 HA SER 8 -21.776 -5.199 -1.822 32 HB2 SER 8 1HB SER 8 -20.237 -6.071 -4.267 33 HB3 SER 8 2HB SER 8 -20.170 -6.958 -2.744 34 HG SER 8 HG SER 8 -22.129 -7.682 -3.074 35 H ASP 9 H ASP 9 -20.740 -4.144 -0.231 36 HA ASP 9 HA ASP 9 -18.174 -2.927 -0.571 37 HB2 ASP 9 1HB ASP 9 -19.841 -3.486 1.887 38 HB3 ASP 9 2HB ASP 9 -18.310 -2.616 1.925 39 H ASP 10 H ASP 10 -16.781 -4.566 -1.256 40 HA ASP 10 HA ASP 10 -16.209 -6.667 0.726 41 HB2 ASP 10 1HB ASP 10 -15.831 -6.567 -2.261 42 HB3 ASP 10 2HB ASP 10 -14.990 -7.748 -1.260 43 H ALA 11 H ALA 11 -15.249 -3.992 1.011 44 HA ALA 11 HA ALA 11 -12.475 -3.988 0.186 45 HB1 ALA 11 1HB ALA 11 -13.890 -1.923 0.274 46 HB2 ALA 11 2HB ALA 11 -13.846 -2.044 2.034 47 HB3 ALA 11 3HB ALA 11 -12.351 -1.804 1.129 48 H ARG 12 H ARG 12 -14.346 -4.734 3.030 49 HA ARG 12 HA ARG 12 -12.278 -4.608 4.943 50 HB2 ARG 12 1HB ARG 12 -13.742 -5.867 6.381 51 HB3 ARG 12 2HB ARG 12 -14.709 -4.712 5.474 52 HG2 ARG 12 1HG ARG 12 -15.761 -6.333 4.258 53 HG3 ARG 12 2HG ARG 12 -14.410 -7.461 4.388 54 HD2 ARG 12 1HD ARG 12 -15.933 -8.447 5.795 55 HD3 ARG 12 2HD ARG 12 -15.036 -7.439 6.930 56 HE ARG 12 HE ARG 12 -16.923 -6.185 7.257 57 HH11 ARG 12 1HH1 ARG 12 -17.323 -8.133 4.400 58 HH12 ARG 12 2HH1 ARG 12 -18.998 -7.735 4.204 59 HH21 ARG 12 1HH2 ARG 12 -19.128 -5.653 7.010 60 HH22 ARG 12 2HH2 ARG 12 -20.023 -6.324 5.689 61 H ARG 13 H ARG 13 -12.618 -6.620 2.314 62 HA ARG 13 HA ARG 13 -11.290 -8.902 3.573 63 HB2 ARG 13 1HB ARG 13 -12.370 -8.551 0.771 64 HB3 ARG 13 2HB ARG 13 -11.657 -10.029 1.403 65 HG2 ARG 13 1HG ARG 13 -13.463 -10.482 2.759 66 HG3 ARG 13 2HG ARG 13 -13.984 -8.797 2.803 67 HD2 ARG 13 1HD ARG 13 -15.036 -8.927 0.768 68 HD3 ARG 13 2HD ARG 13 -13.992 -10.226 0.192 69 HE ARG 13 HE ARG 13 -15.538 -11.196 2.316 70 HH11 ARG 13 1HH1 ARG 13 -15.913 -10.100 -0.967 71 HH12 ARG 13 2HH1 ARG 13 -17.301 -11.090 -1.277 72 HH21 ARG 13 1HH2 ARG 13 -17.364 -12.505 1.920 73 HH22 ARG 13 2HH2 ARG 13 -18.126 -12.457 0.366 74 H LEU 14 H LEU 14 -10.630 -6.158 1.616 75 HA LEU 14 HA LEU 14 -8.392 -6.996 0.179 76 HB2 LEU 14 1HB LEU 14 -8.888 -4.279 1.385 77 HB3 LEU 14 2HB LEU 14 -7.770 -4.645 0.073 78 HG LEU 14 HG LEU 14 -10.752 -5.033 -0.125 79 HD11 LEU 14 1HD1 LEU 14 -9.052 -2.675 -0.909 80 HD12 LEU 14 2HD1 LEU 14 -10.397 -2.698 0.230 81 HD13 LEU 14 3HD1 LEU 14 -10.694 -2.949 -1.490 82 HD21 LEU 14 1HD2 LEU 14 -9.175 -4.551 -2.530 83 HD22 LEU 14 2HD2 LEU 14 -10.392 -5.784 -2.198 84 HD23 LEU 14 3HD2 LEU 14 -8.724 -6.029 -1.679 85 H THR 15 H THR 15 -6.282 -7.282 0.652 86 HA THR 15 HA THR 15 -5.222 -6.402 3.217 87 HB THR 15 HB THR 15 -4.227 -8.728 3.580 88 HG1 THR 15 1HG THR 15 -4.734 -9.744 1.666 89 HG21 THR 15 1HG2 THR 15 -6.074 -9.437 4.896 90 HG22 THR 15 2HG2 THR 15 -7.224 -8.591 3.860 91 HG23 THR 15 3HG2 THR 15 -6.120 -7.675 4.884 92 H VAL 16 H VAL 16 -3.081 -5.938 3.146 93 HA VAL 16 HA VAL 16 -1.677 -6.537 0.624 94 HB VAL 16 HB VAL 16 -1.237 -4.204 2.494 95 HG11 VAL 16 1HG1 VAL 16 -0.058 -4.528 -0.244 96 HG12 VAL 16 2HG1 VAL 16 0.436 -3.442 1.056 97 HG13 VAL 16 3HG1 VAL 16 0.749 -5.173 1.184 98 HG21 VAL 16 1HG2 VAL 16 -1.961 -3.056 0.203 99 HG22 VAL 16 2HG2 VAL 16 -2.852 -4.569 0.034 100 HG23 VAL 16 3HG2 VAL 16 -3.134 -3.532 1.432 101 H THR 17 H THR 17 0.140 -7.692 0.717 102 HA THR 17 HA THR 17 1.408 -8.080 3.351 103 HB THR 17 HB THR 17 1.237 -10.098 1.104 104 HG1 THR 17 1HG THR 17 -0.214 -11.161 2.473 105 HG21 THR 17 1HG2 THR 17 3.179 -9.914 3.015 106 HG22 THR 17 2HG2 THR 17 2.677 -11.412 2.231 107 HG23 THR 17 3HG2 THR 17 2.003 -10.969 3.799 108 H SER 18 H SER 18 2.060 -8.358 -0.146 109 HA SER 18 HA SER 18 4.750 -8.494 -0.233 110 HB2 SER 18 1HB SER 18 2.761 -7.091 -1.954 111 HB3 SER 18 2HB SER 18 4.470 -6.758 -2.239 112 HG SER 18 HG SER 18 3.007 -9.023 -2.757 113 H LEU 19 H LEU 19 2.879 -5.553 0.378 114 HA LEU 19 HA LEU 19 4.793 -3.614 0.324 115 HB2 LEU 19 1HB LEU 19 2.497 -3.097 0.796 116 HB3 LEU 19 2HB LEU 19 2.564 -3.986 2.316 117 HG LEU 19 HG LEU 19 4.392 -2.209 2.926 118 HD11 LEU 19 1HD1 LEU 19 3.439 -1.262 0.393 119 HD12 LEU 19 2HD1 LEU 19 4.727 -0.624 1.414 120 HD13 LEU 19 3HD1 LEU 19 3.064 -0.091 1.658 121 HD21 LEU 19 1HD2 LEU 19 2.387 -2.412 4.186 122 HD22 LEU 19 2HD2 LEU 19 1.418 -1.736 2.877 123 HD23 LEU 19 3HD2 LEU 19 2.553 -0.710 3.754 124 H GLN 20 H GLN 20 6.479 -2.950 1.552 125 HA GLN 20 HA GLN 20 7.304 -4.742 3.720 126 HB2 GLN 20 1HB GLN 20 8.755 -4.049 1.629 127 HB3 GLN 20 2HB GLN 20 9.089 -2.622 2.601 128 HG2 GLN 20 1HG GLN 20 9.884 -4.088 4.418 129 HG3 GLN 20 2HG GLN 20 9.631 -5.481 3.367 130 HE21 GLN 20 1HE2 GLN 20 12.042 -4.112 4.626 131 HE22 GLN 20 2HE2 GLN 20 13.157 -3.959 3.315 132 H GLU 21 H GLU 21 6.169 -3.961 5.467 133 HA GLU 21 HA GLU 21 5.463 -1.518 6.268 134 HB2 GLU 21 1HB GLU 21 6.820 -3.585 8.005 135 HB3 GLU 21 2HB GLU 21 5.935 -2.197 8.624 136 HG2 GLU 21 1HG GLU 21 4.012 -3.170 7.119 137 HG3 GLU 21 2HG GLU 21 4.925 -4.666 7.317 138 H THR 22 H THR 22 8.733 -2.817 6.821 139 HA THR 22 HA THR 22 9.760 -0.071 6.763 140 HB THR 22 HB THR 22 11.237 -0.491 8.667 141 HG1 THR 22 1HG THR 22 10.049 -3.033 8.515 142 HG21 THR 22 1HG2 THR 22 9.685 0.220 10.124 143 HG22 THR 22 2HG2 THR 22 8.723 -1.248 9.950 144 HG23 THR 22 3HG2 THR 22 8.549 0.064 8.785 145 H GLY 23 H GLY 23 11.974 0.114 6.172 146 HA2 GLY 23 1HA GLY 23 14.061 -1.215 5.717 147 HA3 GLY 23 2HA GLY 23 13.009 -2.303 4.823 148 H LEU 24 H LEU 24 11.429 -0.577 3.410 149 HA LEU 24 HA LEU 24 12.762 -0.062 1.117 150 HB2 LEU 24 1HB LEU 24 10.593 1.706 2.239 151 HB3 LEU 24 2HB LEU 24 11.042 1.552 0.541 152 HG LEU 24 HG LEU 24 9.804 -0.612 2.242 153 HD11 LEU 24 1HD1 LEU 24 8.342 0.306 -0.090 154 HD12 LEU 24 2HD1 LEU 24 8.583 1.583 1.102 155 HD13 LEU 24 3HD1 LEU 24 7.796 0.077 1.571 156 HD21 LEU 24 1HD2 LEU 24 10.870 -0.546 -0.547 157 HD22 LEU 24 2HD2 LEU 24 9.500 -1.585 -0.154 158 HD23 LEU 24 3HD2 LEU 24 11.036 -1.792 0.690 159 H LYS 25 H LYS 25 14.483 1.109 0.629 160 HA LYS 25 HA LYS 25 15.389 3.225 2.371 161 HB2 LYS 25 1HB LYS 25 16.512 2.116 -0.207 162 HB3 LYS 25 2HB LYS 25 17.296 3.360 0.759 163 HG2 LYS 25 1HG LYS 25 18.385 1.522 1.535 164 HG3 LYS 25 2HG LYS 25 17.032 1.562 2.668 165 HD2 LYS 25 1HD LYS 25 15.912 -0.178 1.564 166 HD3 LYS 25 2HD LYS 25 16.895 -0.003 0.108 167 HE2 LYS 25 1HE LYS 25 17.651 -1.960 1.215 168 HE3 LYS 25 2HE LYS 25 18.872 -0.718 1.489 169 HZ1 LYS 25 1HZ LYS 25 18.520 -1.784 3.543 170 HZ2 LYS 25 2HZ LYS 25 16.836 -1.713 3.398 171 HZ3 LYS 25 3HZ LYS 25 17.722 -0.297 3.665 172 H VAL 26 H VAL 26 16.438 5.161 0.959 173 HA VAL 26 HA VAL 26 14.161 6.604 -0.036 174 HB VAL 26 HB VAL 26 17.036 7.510 -0.113 175 HG11 VAL 26 1HG1 VAL 26 15.998 9.183 -1.209 176 HG12 VAL 26 2HG1 VAL 26 14.409 8.761 -0.566 177 HG13 VAL 26 3HG1 VAL 26 15.539 9.695 0.415 178 HG21 VAL 26 1HG2 VAL 26 15.790 6.703 2.168 179 HG22 VAL 26 2HG2 VAL 26 17.063 7.921 2.095 180 HG23 VAL 26 3HG2 VAL 26 15.371 8.416 2.124 181 H ASN 27 H ASN 27 13.815 7.379 -2.108 182 HA ASN 27 HA ASN 27 13.730 7.226 -4.379 183 HB2 ASN 27 1HB ASN 27 16.712 6.863 -4.392 184 HB3 ASN 27 2HB ASN 27 15.703 7.771 -5.513 185 HD21 ASN 27 1HD2 ASN 27 18.079 8.430 -3.765 186 HD22 ASN 27 2HD2 ASN 27 17.600 9.866 -2.931 187 H GLN 28 H GLN 28 13.148 4.843 -3.203 188 HA GLN 28 HA GLN 28 14.441 2.895 -4.995 189 HB2 GLN 28 1HB GLN 28 13.618 2.643 -2.122 190 HB3 GLN 28 2HB GLN 28 13.679 1.218 -3.151 191 HG2 GLN 28 1HG GLN 28 16.085 2.177 -3.700 192 HG3 GLN 28 2HG GLN 28 15.878 2.907 -2.108 193 HE21 GLN 28 1HE2 GLN 28 17.778 0.902 -2.886 194 HE22 GLN 28 2HE2 GLN 28 17.467 -0.492 -1.914 195 HA PRO 29 HA PRO 29 10.361 2.405 -6.641 196 HB2 PRO 29 1HB PRO 29 10.877 0.218 -8.164 197 HB3 PRO 29 2HB PRO 29 11.400 1.846 -8.612 198 HG2 PRO 29 1HG PRO 29 12.961 -0.355 -7.316 199 HG3 PRO 29 2HG PRO 29 13.449 0.746 -8.618 200 HD2 PRO 29 1HD PRO 29 14.203 1.110 -6.043 201 HD3 PRO 29 2HD PRO 29 13.925 2.464 -7.156 202 H ALA 30 H ALA 30 9.299 1.822 -4.689 203 HA ALA 30 HA ALA 30 9.309 -1.013 -3.964 204 HB1 ALA 30 1HB ALA 30 8.156 1.402 -2.577 205 HB2 ALA 30 2HB ALA 30 7.989 -0.254 -1.993 206 HB3 ALA 30 3HB ALA 30 9.587 0.482 -2.113 207 H SER 31 H SER 31 7.750 -2.346 -4.595 208 HA SER 31 HA SER 31 5.096 -1.268 -5.219 209 HB2 SER 31 1HB SER 31 4.972 -2.579 -7.285 210 HB3 SER 31 2HB SER 31 6.321 -1.445 -7.356 211 HG SER 31 HG SER 31 6.439 -4.227 -6.808 212 H PHE 32 H PHE 32 3.387 -2.762 -5.027 213 HA PHE 32 HA PHE 32 3.986 -5.447 -4.090 214 HB2 PHE 32 1HB PHE 32 2.259 -4.912 -2.151 215 HB3 PHE 32 2HB PHE 32 3.983 -4.615 -1.949 216 HD1 PHE 32 2HD PHE 32 4.834 -2.254 -2.456 217 HD2 PHE 32 1HD PHE 32 0.727 -3.196 -1.859 218 HE1 PHE 32 2HE PHE 32 4.369 0.109 -1.955 219 HE2 PHE 32 1HE PHE 32 0.254 -0.834 -1.359 220 HZ PHE 32 HZ PHE 32 2.077 0.822 -1.405 221 H ALA 33 H ALA 33 1.753 -6.522 -3.460 222 HA ALA 33 HA ALA 33 -0.186 -5.755 -5.545 223 HB1 ALA 33 1HB ALA 33 -0.552 -8.474 -4.885 224 HB2 ALA 33 2HB ALA 33 0.037 -7.788 -6.401 225 HB3 ALA 33 3HB ALA 33 1.178 -8.226 -5.129 226 H VAL 34 H VAL 34 -2.355 -5.784 -5.047 227 HA VAL 34 HA VAL 34 -2.995 -6.105 -2.188 228 HB VAL 34 HB VAL 34 -4.397 -4.379 -4.234 229 HG11 VAL 34 1HG1 VAL 34 -6.105 -4.728 -2.791 230 HG12 VAL 34 2HG1 VAL 34 -5.035 -5.180 -1.462 231 HG13 VAL 34 3HG1 VAL 34 -5.271 -3.479 -1.866 232 HG21 VAL 34 1HG2 VAL 34 -2.745 -2.935 -3.832 233 HG22 VAL 34 2HG2 VAL 34 -3.419 -2.765 -2.211 234 HG23 VAL 34 3HG2 VAL 34 -2.112 -3.911 -2.506 235 H GLN 35 H GLN 35 -3.978 -7.986 -1.840 236 HA GLN 35 HA GLN 35 -5.452 -9.362 -3.872 237 HB2 GLN 35 1HB GLN 35 -4.095 -10.399 -1.961 238 HB3 GLN 35 2HB GLN 35 -5.475 -10.028 -0.936 239 HG2 GLN 35 1HG GLN 35 -6.836 -11.567 -1.975 240 HG3 GLN 35 2HG GLN 35 -5.881 -11.567 -3.457 241 HE21 GLN 35 1HE2 GLN 35 -5.977 -12.647 -0.123 242 HE22 GLN 35 2HE2 GLN 35 -4.871 -13.959 -0.317 243 H LEU 36 H LEU 36 -7.627 -9.585 -4.119 244 HA LEU 36 HA LEU 36 -9.286 -7.629 -2.753 245 HB2 LEU 36 1HB LEU 36 -10.118 -9.564 -4.901 246 HB3 LEU 36 2HB LEU 36 -10.931 -8.079 -4.413 247 HG LEU 36 HG LEU 36 -8.228 -8.171 -5.747 248 HD11 LEU 36 1HD1 LEU 36 -9.477 -8.829 -7.516 249 HD12 LEU 36 2HD1 LEU 36 -9.818 -7.101 -7.603 250 HD13 LEU 36 3HD1 LEU 36 -10.976 -8.190 -6.841 251 HD21 LEU 36 1HD2 LEU 36 -8.561 -5.800 -6.071 252 HD22 LEU 36 2HD2 LEU 36 -8.690 -6.186 -4.355 253 HD23 LEU 36 3HD2 LEU 36 -10.147 -5.886 -5.304 254 H ASN 37 H ASN 37 -8.905 -11.109 -2.987 255 HA ASN 37 HA ASN 37 -9.747 -12.828 -1.760 256 HB2 ASN 37 1HB ASN 37 -10.099 -10.505 0.096 257 HB3 ASN 37 2HB ASN 37 -10.797 -12.064 0.526 258 HD21 ASN 37 1HD2 ASN 37 -8.171 -10.161 0.895 259 HD22 ASN 37 2HD2 ASN 37 -6.980 -11.362 1.250 260 H GLY 38 H GLY 38 -11.400 -11.537 -3.755 261 HA2 GLY 38 1HA GLY 38 -13.525 -12.293 -4.487 262 HA3 GLY 38 2HA GLY 38 -13.992 -12.524 -2.808 263 H ALA 39 H ALA 39 -12.457 -9.605 -3.982 264 HA ALA 39 HA ALA 39 -14.950 -8.151 -3.404 265 HB1 ALA 39 1HB ALA 39 -12.745 -7.717 -2.109 266 HB2 ALA 39 2HB ALA 39 -12.276 -6.823 -3.556 267 HB3 ALA 39 3HB ALA 39 -13.714 -6.347 -2.653 268 H ARG 40 H ARG 40 -15.320 -6.170 -4.695 269 HA ARG 40 HA ARG 40 -14.145 -6.226 -7.372 270 HB2 ARG 40 1HB ARG 40 -17.072 -6.529 -6.736 271 HB3 ARG 40 2HB ARG 40 -16.527 -5.891 -8.282 272 HG2 ARG 40 1HG ARG 40 -15.778 -8.583 -7.162 273 HG3 ARG 40 2HG ARG 40 -17.034 -8.291 -8.367 274 HD2 ARG 40 1HD ARG 40 -15.058 -7.075 -9.622 275 HD3 ARG 40 2HD ARG 40 -14.073 -8.145 -8.626 276 HE ARG 40 HE ARG 40 -16.087 -9.659 -9.852 277 HH11 ARG 40 1HH1 ARG 40 -13.209 -7.883 -10.678 278 HH12 ARG 40 2HH1 ARG 40 -12.845 -8.860 -12.062 279 HH21 ARG 40 1HH2 ARG 40 -15.619 -10.953 -11.672 280 HH22 ARG 40 2HH2 ARG 40 -14.217 -10.605 -12.627 281 H GLY 41 H GLY 41 -13.458 -4.242 -7.809 282 HA2 GLY 41 1HA GLY 41 -15.010 -1.949 -7.854 283 HA3 GLY 41 2HA GLY 41 -14.234 -1.975 -6.277 284 H VAL 42 H VAL 42 -13.033 -0.112 -6.734 285 HA VAL 42 HA VAL 42 -10.804 -0.557 -8.609 286 HB VAL 42 HB VAL 42 -12.184 2.076 -8.066 287 HG11 VAL 42 1HG1 VAL 42 -10.140 1.681 -10.198 288 HG12 VAL 42 2HG1 VAL 42 -10.594 3.147 -9.327 289 HG13 VAL 42 3HG1 VAL 42 -9.606 1.919 -8.534 290 HG21 VAL 42 1HG2 VAL 42 -12.317 0.112 -10.313 291 HG22 VAL 42 2HG2 VAL 42 -13.618 1.002 -9.523 292 HG23 VAL 42 3HG2 VAL 42 -12.534 1.832 -10.639 293 H ILE 43 H ILE 43 -8.849 -0.424 -7.722 294 HA ILE 43 HA ILE 43 -8.608 0.417 -4.952 295 HB ILE 43 HB ILE 43 -6.593 -0.823 -6.828 296 HG12 ILE 43 1HG1 ILE 43 -8.569 -2.207 -6.004 297 HG13 ILE 43 2HG1 ILE 43 -6.968 -2.857 -5.671 298 HG21 ILE 43 1HG2 ILE 43 -5.011 -0.174 -5.414 299 HG22 ILE 43 2HG2 ILE 43 -6.209 0.575 -4.361 300 HG23 ILE 43 3HG2 ILE 43 -5.791 -1.125 -4.151 301 HD11 ILE 43 1HD1 ILE 43 -8.179 -1.153 -3.584 302 HD12 ILE 43 2HD1 ILE 43 -8.891 -2.746 -3.844 303 HD13 ILE 43 3HD1 ILE 43 -7.181 -2.600 -3.437 304 H ASP 44 H ASP 44 -8.113 2.431 -4.431 305 HA ASP 44 HA ASP 44 -6.608 4.066 -6.361 306 HB2 ASP 44 1HB ASP 44 -9.001 4.695 -5.462 307 HB3 ASP 44 2HB ASP 44 -8.100 5.259 -4.057 308 H ALA 45 H ALA 45 -4.529 4.259 -5.884 309 HA ALA 45 HA ALA 45 -3.722 4.283 -3.052 310 HB1 ALA 45 1HB ALA 45 -1.906 3.048 -3.548 311 HB2 ALA 45 2HB ALA 45 -2.854 2.583 -4.961 312 HB3 ALA 45 3HB ALA 45 -1.645 3.860 -5.093 313 H ARG 46 H ARG 46 -2.566 5.960 -2.248 314 HA ARG 46 HA ARG 46 -1.340 7.909 -3.999 315 HB2 ARG 46 1HB ARG 46 -3.742 8.568 -2.300 316 HB3 ARG 46 2HB ARG 46 -2.610 9.795 -2.853 317 HG2 ARG 46 1HG ARG 46 -3.093 8.840 -5.206 318 HG3 ARG 46 2HG ARG 46 -4.518 8.135 -4.441 319 HD2 ARG 46 1HD ARG 46 -4.960 10.509 -3.559 320 HD3 ARG 46 2HD ARG 46 -3.796 11.026 -4.779 321 HE ARG 46 HE ARG 46 -5.939 9.355 -5.762 322 HH11 ARG 46 1HH1 ARG 46 -4.822 12.597 -5.160 323 HH12 ARG 46 2HH1 ARG 46 -5.895 13.320 -6.312 324 HH21 ARG 46 1HH2 ARG 46 -7.356 10.294 -7.282 325 HH22 ARG 46 2HH2 ARG 46 -7.337 12.009 -7.518 326 H VAL 47 H VAL 47 0.438 8.722 -3.079 327 HA VAL 47 HA VAL 47 0.906 8.136 -0.247 328 HB VAL 47 HB VAL 47 3.302 8.835 -0.871 329 HG11 VAL 47 1HG1 VAL 47 1.875 6.359 -1.723 330 HG12 VAL 47 2HG1 VAL 47 3.581 6.558 -2.131 331 HG13 VAL 47 3HG1 VAL 47 3.067 6.588 -0.444 332 HG21 VAL 47 1HG2 VAL 47 2.298 9.764 -3.128 333 HG22 VAL 47 2HG2 VAL 47 3.922 9.081 -3.059 334 HG23 VAL 47 3HG2 VAL 47 2.581 8.108 -3.664 335 H HIS 48 H HIS 48 1.610 9.700 1.211 336 HA HIS 48 HA HIS 48 1.214 12.488 0.340 337 HB2 HIS 48 1HB HIS 48 0.479 11.124 2.926 338 HB3 HIS 48 2HB HIS 48 0.599 12.876 2.796 339 HD1 HIS 48 1HD HIS 48 -1.087 14.004 1.032 340 HD2 HIS 48 2HD HIS 48 -1.898 10.070 2.093 341 HE1 HIS 48 1HE HIS 48 -3.470 13.598 0.338 342 HE2 HIS 48 2HE HIS 48 -3.965 11.239 1.068 343 H THR 49 H THR 49 2.972 13.704 0.430 344 HA THR 49 HA THR 49 5.368 12.764 1.704 345 HB THR 49 HB THR 49 6.421 14.788 0.837 346 HG1 THR 49 1HG THR 49 4.209 15.948 1.136 347 HG21 THR 49 1HG2 THR 49 6.129 12.903 -0.695 348 HG22 THR 49 2HG2 THR 49 6.012 14.438 -1.556 349 HG23 THR 49 3HG2 THR 49 4.551 13.528 -1.173 350 HA PRO 50 HA PRO 50 4.972 14.756 5.605 351 HB2 PRO 50 1HB PRO 50 7.593 15.117 6.214 352 HB3 PRO 50 2HB PRO 50 6.806 13.535 6.257 353 HG2 PRO 50 1HG PRO 50 8.528 14.736 4.123 354 HG3 PRO 50 2HG PRO 50 8.537 13.085 4.771 355 HD2 PRO 50 1HD PRO 50 7.343 13.722 2.426 356 HD3 PRO 50 2HD PRO 50 6.736 12.436 3.489 357 H SER 51 H SER 51 6.123 16.310 2.858 358 HA SER 51 HA SER 51 6.831 18.803 4.156 359 HB2 SER 51 1HB SER 51 7.847 17.823 1.970 360 HB3 SER 51 2HB SER 51 6.410 18.490 1.196 361 HG SER 51 HG SER 51 7.895 20.127 2.914 362 H GLY 52 H GLY 52 4.516 18.051 1.543 363 HA2 GLY 52 1HA GLY 52 2.156 18.805 2.626 364 HA3 GLY 52 2HA GLY 52 2.912 20.348 2.257 365 H ALA 53 H ALA 53 3.329 17.441 0.335 366 HA ALA 53 HA ALA 53 1.661 18.645 -1.773 367 HB1 ALA 53 1HB ALA 53 3.378 17.560 -3.369 368 HB2 ALA 53 2HB ALA 53 3.792 19.083 -2.582 369 HB3 ALA 53 3HB ALA 53 4.447 17.566 -1.966 370 H VAL 54 H VAL 54 0.135 17.337 -2.533 371 HA VAL 54 HA VAL 54 -0.032 14.616 -1.615 372 HB VAL 54 HB VAL 54 -1.810 16.233 -3.440 373 HG11 VAL 54 1HG1 VAL 54 -1.798 13.356 -2.802 374 HG12 VAL 54 2HG1 VAL 54 -3.361 14.166 -2.681 375 HG13 VAL 54 3HG1 VAL 54 -2.459 14.208 -4.197 376 HG21 VAL 54 1HG2 VAL 54 -3.315 15.669 -1.305 377 HG22 VAL 54 2HG2 VAL 54 -1.727 15.656 -0.537 378 HG23 VAL 54 3HG2 VAL 54 -2.281 17.095 -1.394 379 H GLU 55 H GLU 55 1.322 13.197 -2.544 380 HA GLU 55 HA GLU 55 1.955 13.351 -5.364 381 HB2 GLU 55 1HB GLU 55 2.887 11.689 -3.060 382 HB3 GLU 55 2HB GLU 55 3.170 11.110 -4.696 383 HG2 GLU 55 1HG GLU 55 4.333 13.222 -5.209 384 HG3 GLU 55 2HG GLU 55 4.112 13.720 -3.533 385 H GLU 56 H GLU 56 1.937 11.186 -6.595 386 HA GLU 56 HA GLU 56 -0.613 9.799 -6.087 387 HB2 GLU 56 1HB GLU 56 -0.847 9.608 -8.574 388 HB3 GLU 56 2HB GLU 56 -0.986 11.248 -7.955 389 HG2 GLU 56 1HG GLU 56 1.273 11.742 -8.649 390 HG3 GLU 56 2HG GLU 56 1.501 10.077 -9.180 391 H CYS 57 H CYS 57 -0.741 7.662 -7.231 392 HA CYS 57 HA CYS 57 1.894 6.343 -7.196 393 HB2 CYS 57 1HB CYS 57 -0.792 5.175 -6.435 394 HB3 CYS 57 2HB CYS 57 0.738 4.306 -6.436 395 HG CYS 57 HG CYS 57 1.869 5.900 -4.408 396 H TYR 58 H TYR 58 1.513 4.006 -8.302 397 HA TYR 58 HA TYR 58 0.256 4.537 -10.915 398 HB2 TYR 58 1HB TYR 58 2.817 4.539 -10.840 399 HB3 TYR 58 2HB TYR 58 2.697 2.808 -10.542 400 HD1 TYR 58 1HD TYR 58 1.903 1.296 -12.286 401 HD2 TYR 58 2HD TYR 58 2.286 5.472 -13.009 402 HE1 TYR 58 1HE TYR 58 1.738 0.887 -14.706 403 HE2 TYR 58 2HE TYR 58 2.121 5.074 -15.430 404 HH TYR 58 HH TYR 58 0.964 3.009 -16.881 405 H VAL 59 H VAL 59 -1.533 3.336 -10.964 406 HA VAL 59 HA VAL 59 -1.293 0.482 -10.276 407 HB VAL 59 HB VAL 59 -2.569 1.268 -8.484 408 HG11 VAL 59 1HG1 VAL 59 -2.891 3.547 -9.527 409 HG12 VAL 59 2HG1 VAL 59 -4.322 2.884 -10.319 410 HG13 VAL 59 3HG1 VAL 59 -4.235 2.945 -8.558 411 HG21 VAL 59 1HG2 VAL 59 -3.621 -0.556 -10.033 412 HG22 VAL 59 2HG2 VAL 59 -4.551 0.110 -8.690 413 HG23 VAL 59 3HG2 VAL 59 -4.839 0.684 -10.333 414 H SER 60 H SER 60 -1.175 -0.308 -12.326 415 HA SER 60 HA SER 60 -2.514 0.629 -14.576 416 HB2 SER 60 1HB SER 60 -1.534 -2.152 -13.903 417 HB3 SER 60 2HB SER 60 -2.133 -1.689 -15.495 418 HG SER 60 HG SER 60 -0.385 -0.500 -15.831 419 H GLU 61 H GLU 61 -4.118 -0.864 -15.828 420 HA GLU 61 HA GLU 61 -6.595 -0.719 -14.568 421 HB2 GLU 61 1HB GLU 61 -5.633 -2.228 -16.985 422 HB3 GLU 61 2HB GLU 61 -7.301 -2.347 -16.442 423 HG2 GLU 61 1HG GLU 61 -7.140 0.284 -16.501 424 HG3 GLU 61 2HG GLU 61 -5.857 -0.059 -17.659 425 H LEU 62 H LEU 62 -8.101 -2.720 -14.430 426 HA LEU 62 HA LEU 62 -7.025 -4.418 -12.390 427 HB2 LEU 62 1HB LEU 62 -9.262 -3.762 -12.099 428 HB3 LEU 62 2HB LEU 62 -9.693 -4.211 -13.748 429 HG LEU 62 HG LEU 62 -9.117 -6.629 -12.918 430 HD11 LEU 62 1HD1 LEU 62 -9.501 -7.029 -10.608 431 HD12 LEU 62 2HD1 LEU 62 -9.938 -5.345 -10.323 432 HD13 LEU 62 3HD1 LEU 62 -8.273 -5.768 -10.719 433 HD21 LEU 62 1HD2 LEU 62 -11.307 -6.877 -13.183 434 HD22 LEU 62 2HD2 LEU 62 -11.458 -5.120 -13.208 435 HD23 LEU 62 3HD2 LEU 62 -11.638 -6.000 -11.689 436 H ASP 63 H ASP 63 -6.335 -6.474 -12.523 437 HA ASP 63 HA ASP 63 -7.010 -8.197 -14.712 438 HB2 ASP 63 1HB ASP 63 -5.172 -6.673 -15.613 439 HB3 ASP 63 2HB ASP 63 -4.094 -7.468 -14.469 440 H SER 64 H SER 64 -6.242 -10.361 -14.418 441 HA SER 64 HA SER 64 -5.972 -12.200 -13.094 442 HB2 SER 64 1HB SER 64 -3.729 -10.498 -11.981 443 HB3 SER 64 2HB SER 64 -3.882 -12.244 -11.783 444 HG SER 64 HG SER 64 -3.903 -11.128 -14.360 445 H ASP 65 H ASP 65 -7.792 -10.112 -12.126 446 HA ASP 65 HA ASP 65 -8.979 -9.518 -10.270 447 HB2 ASP 65 1HB ASP 65 -9.443 -11.954 -10.393 448 HB3 ASP 65 2HB ASP 65 -8.084 -12.244 -9.312 449 H LYS 66 H LYS 66 -6.411 -8.464 -10.263 450 HA LYS 66 HA LYS 66 -6.051 -8.006 -7.437 451 HB2 LYS 66 1HB LYS 66 -4.034 -9.493 -9.078 452 HB3 LYS 66 2HB LYS 66 -3.487 -8.430 -7.788 453 HG2 LYS 66 1HG LYS 66 -4.908 -9.696 -6.204 454 HG3 LYS 66 2HG LYS 66 -5.311 -10.809 -7.513 455 HD2 LYS 66 1HD LYS 66 -3.003 -11.463 -7.733 456 HD3 LYS 66 2HD LYS 66 -2.505 -10.243 -6.559 457 HE2 LYS 66 1HE LYS 66 -3.343 -11.430 -4.772 458 HE3 LYS 66 2HE LYS 66 -4.516 -12.297 -5.762 459 HZ1 LYS 66 1HZ LYS 66 -1.923 -12.951 -6.625 460 HZ2 LYS 66 2HZ LYS 66 -3.096 -13.965 -5.949 461 HZ3 LYS 66 3HZ LYS 66 -1.997 -13.159 -4.947 462 H HIS 67 H HIS 67 -4.130 -6.418 -7.129 463 HA HIS 67 HA HIS 67 -3.892 -4.618 -9.435 464 HB2 HIS 67 1HB HIS 67 -4.891 -3.918 -6.685 465 HB3 HIS 67 2HB HIS 67 -4.149 -2.704 -7.722 466 HD1 HIS 67 1HD HIS 67 -5.461 -2.016 -9.864 467 HD2 HIS 67 2HD HIS 67 -7.470 -4.683 -7.393 468 HE1 HIS 67 1HE HIS 67 -7.846 -2.002 -10.659 469 HE2 HIS 67 2HE HIS 67 -9.061 -3.558 -9.095 470 H THR 68 H THR 68 -2.042 -3.293 -9.441 471 HA THR 68 HA THR 68 -0.001 -3.993 -7.433 472 HB THR 68 HB THR 68 0.515 -3.578 -10.384 473 HG1 THR 68 1HG THR 68 1.026 -5.881 -10.247 474 HG21 THR 68 1HG2 THR 68 2.231 -3.763 -8.015 475 HG22 THR 68 2HG2 THR 68 2.579 -3.119 -9.619 476 HG23 THR 68 3HG2 THR 68 2.687 -4.854 -9.322 477 H ILE 69 H ILE 69 0.986 -2.318 -6.495 478 HA ILE 69 HA ILE 69 0.557 0.355 -7.652 479 HB ILE 69 HB ILE 69 1.379 -0.008 -4.807 480 HG12 ILE 69 1HG1 ILE 69 -0.498 -1.593 -5.171 481 HG13 ILE 69 2HG1 ILE 69 -0.924 -0.273 -4.088 482 HG21 ILE 69 1HG2 ILE 69 -0.536 1.938 -4.945 483 HG22 ILE 69 2HG2 ILE 69 1.203 2.210 -5.042 484 HG23 ILE 69 3HG2 ILE 69 0.249 2.072 -6.518 485 HD11 ILE 69 1HD1 ILE 69 -1.534 0.078 -6.961 486 HD12 ILE 69 2HD1 ILE 69 -2.509 -1.075 -6.049 487 HD13 ILE 69 3HD1 ILE 69 -2.424 0.610 -5.535 488 H ARG 70 H ARG 70 2.257 1.790 -7.829 489 HA ARG 70 HA ARG 70 4.922 0.887 -7.032 490 HB2 ARG 70 1HB ARG 70 4.331 0.261 -9.473 491 HB3 ARG 70 2HB ARG 70 4.489 1.982 -9.797 492 HG2 ARG 70 1HG ARG 70 6.786 1.951 -9.050 493 HG3 ARG 70 2HG ARG 70 6.641 0.251 -8.600 494 HD2 ARG 70 1HD ARG 70 7.699 0.211 -10.685 495 HD3 ARG 70 2HD ARG 70 6.012 -0.157 -11.043 496 HE ARG 70 HE ARG 70 5.828 1.858 -12.151 497 HH11 ARG 70 1HH1 ARG 70 8.859 1.701 -10.447 498 HH12 ARG 70 2HH1 ARG 70 9.517 3.103 -11.223 499 HH21 ARG 70 1HH2 ARG 70 6.683 3.705 -13.180 500 HH22 ARG 70 2HH2 ARG 70 8.278 4.243 -12.777 501 H PHE 71 H PHE 71 5.913 2.474 -5.990 502 HA PHE 71 HA PHE 71 5.857 5.184 -6.946 503 HB2 PHE 71 1HB PHE 71 4.994 6.121 -4.786 504 HB3 PHE 71 2HB PHE 71 3.784 5.263 -5.735 505 HD1 PHE 71 1HD PHE 71 6.263 4.608 -3.026 506 HD2 PHE 71 2HD PHE 71 2.418 3.773 -4.649 507 HE1 PHE 71 1HE PHE 71 5.754 3.189 -1.081 508 HE2 PHE 71 2HE PHE 71 1.902 2.353 -2.707 509 HZ PHE 71 HZ PHE 71 3.571 2.060 -0.920 510 H ILE 72 H ILE 72 7.479 6.474 -6.040 511 HA ILE 72 HA ILE 72 9.357 5.035 -4.280 512 HB ILE 72 HB ILE 72 9.932 6.922 -6.559 513 HG12 ILE 72 1HG1 ILE 72 11.127 4.206 -6.068 514 HG13 ILE 72 2HG1 ILE 72 9.562 4.376 -6.855 515 HG21 ILE 72 1HG2 ILE 72 11.448 6.451 -4.127 516 HG22 ILE 72 2HG2 ILE 72 12.369 6.074 -5.582 517 HG23 ILE 72 3HG2 ILE 72 11.665 7.677 -5.375 518 HD11 ILE 72 1HD1 ILE 72 11.940 5.867 -7.875 519 HD12 ILE 72 2HD1 ILE 72 11.681 4.174 -8.299 520 HD13 ILE 72 3HD1 ILE 72 10.471 5.385 -8.724 521 HA PRO 73 HA PRO 73 8.616 8.397 -1.479 522 HB2 PRO 73 1HB PRO 73 10.515 7.709 0.336 523 HB3 PRO 73 2HB PRO 73 8.969 6.864 0.196 524 HG2 PRO 73 1HG PRO 73 11.651 6.098 -0.890 525 HG3 PRO 73 2HG PRO 73 10.433 5.082 -0.097 526 HD2 PRO 73 1HD PRO 73 10.748 5.150 -2.786 527 HD3 PRO 73 2HD PRO 73 9.171 4.879 -2.016 528 H HIS 74 H HIS 74 9.320 10.156 -2.719 529 HA HIS 74 HA HIS 74 11.897 10.763 -3.507 530 HB2 HIS 74 1HB HIS 74 9.522 12.465 -2.822 531 HB3 HIS 74 2HB HIS 74 11.060 13.220 -3.229 532 HD1 HIS 74 1HD HIS 74 9.773 10.124 -4.942 533 HD2 HIS 74 2HD HIS 74 10.275 14.178 -5.696 534 HE1 HIS 74 1HE HIS 74 9.320 10.412 -7.399 535 HE2 HIS 74 2HE HIS 74 9.714 12.858 -7.849 536 H GLU 75 H GLU 75 10.309 11.441 -0.419 537 HA GLU 75 HA GLU 75 12.951 12.136 0.687 538 HB2 GLU 75 1HB GLU 75 11.877 13.694 2.208 539 HB3 GLU 75 2HB GLU 75 11.479 14.111 0.548 540 HG2 GLU 75 1HG GLU 75 9.669 12.496 2.320 541 HG3 GLU 75 2HG GLU 75 9.591 14.252 2.190 542 H ASN 76 H ASN 76 13.128 11.750 3.049 543 HA ASN 76 HA ASN 76 12.219 9.103 3.666 544 HB2 ASN 76 1HB ASN 76 14.000 11.113 4.978 545 HB3 ASN 76 2HB ASN 76 13.366 9.789 5.951 546 HD21 ASN 76 1HD2 ASN 76 13.389 7.686 4.297 547 HD22 ASN 76 2HD2 ASN 76 14.998 7.328 3.778 548 H GLY 77 H GLY 77 11.253 8.602 5.841 549 HA2 GLY 77 1HA GLY 77 9.924 9.504 7.707 550 HA3 GLY 77 2HA GLY 77 9.234 10.639 6.556 551 H VAL 78 H VAL 78 7.785 8.846 8.254 552 HA VAL 78 HA VAL 78 6.884 6.608 6.710 553 HB VAL 78 HB VAL 78 5.498 7.878 9.072 554 HG11 VAL 78 1HG1 VAL 78 5.118 5.416 7.495 555 HG12 VAL 78 2HG1 VAL 78 5.008 5.237 9.247 556 HG13 VAL 78 3HG1 VAL 78 3.952 6.373 8.408 557 HG21 VAL 78 1HG2 VAL 78 7.318 5.522 9.309 558 HG22 VAL 78 2HG2 VAL 78 7.995 7.150 9.306 559 HG23 VAL 78 3HG2 VAL 78 6.822 6.686 10.538 560 H HIS 79 H HIS 79 6.009 7.175 4.777 561 HA HIS 79 HA HIS 79 4.246 9.394 4.442 562 HB2 HIS 79 1HB HIS 79 4.833 7.035 2.642 563 HB3 HIS 79 2HB HIS 79 3.877 8.437 2.170 564 HD1 HIS 79 1HD HIS 79 6.990 8.868 4.200 565 HD2 HIS 79 2HD HIS 79 5.748 9.227 0.252 566 HE1 HIS 79 1HE HIS 79 8.858 10.061 3.014 567 HE2 HIS 79 2HE HIS 79 8.048 10.343 0.646 568 H SER 80 H SER 80 2.015 9.211 3.657 569 HA SER 80 HA SER 80 0.595 7.057 5.071 570 HB2 SER 80 1HB SER 80 0.156 9.412 5.808 571 HB3 SER 80 2HB SER 80 -0.504 9.741 4.207 572 HG SER 80 HG SER 80 -2.021 9.098 5.954 573 H ILE 81 H ILE 81 0.056 5.471 3.720 574 HA ILE 81 HA ILE 81 -0.559 6.035 0.936 575 HB ILE 81 HB ILE 81 -0.726 3.322 2.213 576 HG12 ILE 81 1HG1 ILE 81 1.449 4.477 2.803 577 HG13 ILE 81 2HG1 ILE 81 1.613 2.971 1.907 578 HG21 ILE 81 1HG2 ILE 81 0.092 2.677 -0.092 579 HG22 ILE 81 2HG2 ILE 81 -1.536 3.348 -0.004 580 HG23 ILE 81 3HG2 ILE 81 -0.198 4.352 -0.561 581 HD11 ILE 81 1HD1 ILE 81 1.460 5.236 0.130 582 HD12 ILE 81 2HD1 ILE 81 2.770 5.410 1.298 583 HD13 ILE 81 3HD1 ILE 81 2.695 3.984 0.264 584 H ASP 82 H ASP 82 -2.549 6.808 0.591 585 HA ASP 82 HA ASP 82 -4.804 5.907 2.173 586 HB2 ASP 82 1HB ASP 82 -4.321 8.056 0.168 587 HB3 ASP 82 2HB ASP 82 -5.973 7.474 0.357 588 H VAL 83 H VAL 83 -5.577 3.949 1.696 589 HA VAL 83 HA VAL 83 -5.854 3.196 -1.136 590 HB VAL 83 HB VAL 83 -5.924 1.387 1.283 591 HG11 VAL 83 1HG1 VAL 83 -7.020 0.895 -1.130 592 HG12 VAL 83 2HG1 VAL 83 -5.374 0.324 -1.410 593 HG13 VAL 83 3HG1 VAL 83 -6.332 -0.353 -0.093 594 HG21 VAL 83 1HG2 VAL 83 -3.707 1.655 1.304 595 HG22 VAL 83 2HG2 VAL 83 -3.695 0.736 -0.201 596 HG23 VAL 83 3HG2 VAL 83 -3.710 2.499 -0.245 597 H LYS 84 H LYS 84 -7.820 3.488 -1.936 598 HA LYS 84 HA LYS 84 -10.139 3.006 -0.182 599 HB2 LYS 84 1HB LYS 84 -9.630 5.134 -2.228 600 HB3 LYS 84 2HB LYS 84 -11.279 4.609 -1.918 601 HG2 LYS 84 1HG LYS 84 -10.717 5.059 0.559 602 HG3 LYS 84 2HG LYS 84 -9.366 5.995 -0.085 603 HD2 LYS 84 1HD LYS 84 -12.156 6.438 -1.088 604 HD3 LYS 84 2HD LYS 84 -11.602 7.199 0.406 605 HE2 LYS 84 1HE LYS 84 -9.967 7.416 -2.089 606 HE3 LYS 84 2HE LYS 84 -11.368 8.461 -1.859 607 HZ1 LYS 84 1HZ LYS 84 -10.242 8.887 0.436 608 HZ2 LYS 84 2HZ LYS 84 -9.718 9.721 -0.939 609 HZ3 LYS 84 3HZ LYS 84 -8.840 8.391 -0.372 610 H PHE 85 H PHE 85 -11.865 1.858 -1.009 611 HA PHE 85 HA PHE 85 -11.572 0.777 -3.725 612 HB2 PHE 85 1HB PHE 85 -10.783 -0.817 -1.877 613 HB3 PHE 85 2HB PHE 85 -12.478 -0.932 -1.415 614 HD1 PHE 85 1HD PHE 85 -10.534 -1.032 -4.604 615 HD2 PHE 85 2HD PHE 85 -13.529 -2.817 -2.163 616 HE1 PHE 85 1HE PHE 85 -10.873 -2.778 -6.304 617 HE2 PHE 85 2HE PHE 85 -13.873 -4.566 -3.859 618 HZ PHE 85 HZ PHE 85 -12.544 -4.549 -5.932 619 H ASN 86 H ASN 86 -13.268 1.603 -4.770 620 HA ASN 86 HA ASN 86 -15.400 2.181 -5.314 621 HB2 ASN 86 1HB ASN 86 -15.818 -0.220 -3.556 622 HB3 ASN 86 2HB ASN 86 -17.196 0.655 -4.218 623 HD21 ASN 86 1HD2 ASN 86 -17.055 -1.859 -4.930 624 HD22 ASN 86 2HD2 ASN 86 -16.496 -2.048 -6.554 625 H GLY 87 H GLY 87 -14.336 3.894 -3.517 626 HA2 GLY 87 1HA GLY 87 -14.947 5.569 -2.071 627 HA3 GLY 87 2HA GLY 87 -16.613 5.083 -2.350 628 H ALA 88 H ALA 88 -14.117 2.995 -1.022 629 HA ALA 88 HA ALA 88 -15.256 3.282 1.659 630 HB1 ALA 88 1HB ALA 88 -16.529 1.463 1.132 631 HB2 ALA 88 2HB ALA 88 -15.356 0.836 -0.027 632 HB3 ALA 88 3HB ALA 88 -15.072 0.649 1.704 633 H HIS 89 H HIS 89 -13.606 3.698 2.961 634 HA HIS 89 HA HIS 89 -10.902 3.160 2.270 635 HB2 HIS 89 1HB HIS 89 -12.324 4.342 4.599 636 HB3 HIS 89 2HB HIS 89 -10.690 3.745 4.873 637 HD1 HIS 89 1HD HIS 89 -8.903 5.390 4.428 638 HD2 HIS 89 2HD HIS 89 -12.362 6.255 2.296 639 HE1 HIS 89 1HE HIS 89 -8.437 7.558 3.242 640 HE2 HIS 89 2HE HIS 89 -10.574 8.105 2.026 641 H ILE 90 H ILE 90 -9.713 1.400 2.605 642 HA ILE 90 HA ILE 90 -10.842 -0.955 3.718 643 HB ILE 90 HB ILE 90 -8.727 -2.013 3.296 644 HG12 ILE 90 1HG1 ILE 90 -7.475 0.598 2.515 645 HG13 ILE 90 2HG1 ILE 90 -7.467 0.093 4.201 646 HG21 ILE 90 1HG2 ILE 90 -10.281 -1.072 1.388 647 HG22 ILE 90 2HG2 ILE 90 -8.854 -0.107 1.018 648 HG23 ILE 90 3HG2 ILE 90 -8.752 -1.867 1.014 649 HD11 ILE 90 1HD1 ILE 90 -5.654 -1.095 3.784 650 HD12 ILE 90 2HD1 ILE 90 -6.602 -2.118 2.705 651 HD13 ILE 90 3HD1 ILE 90 -5.755 -0.709 2.066 652 HA PRO 91 HA PRO 91 -9.805 -0.619 7.974 653 HB2 PRO 91 1HB PRO 91 -9.425 -3.234 8.600 654 HB3 PRO 91 2HB PRO 91 -11.022 -2.543 8.287 655 HG2 PRO 91 1HG PRO 91 -9.248 -4.118 6.461 656 HG3 PRO 91 2HG PRO 91 -11.000 -4.247 6.705 657 HD2 PRO 91 1HD PRO 91 -9.915 -2.938 4.597 658 HD3 PRO 91 2HD PRO 91 -11.450 -2.444 5.341 659 H GLY 92 H GLY 92 -7.863 0.405 8.226 660 HA2 GLY 92 1HA GLY 92 -5.702 -0.285 9.358 661 HA3 GLY 92 2HA GLY 92 -5.430 -1.238 7.907 662 H SER 93 H SER 93 -6.802 1.092 6.420 663 HA SER 93 HA SER 93 -4.326 2.495 5.871 664 HB2 SER 93 1HB SER 93 -5.329 2.130 3.848 665 HB3 SER 93 2HB SER 93 -6.957 2.188 4.525 666 HG SER 93 HG SER 93 -6.916 4.377 4.457 667 HA PRO 94 HA PRO 94 -3.996 4.473 4.602 668 HB2 PRO 94 1HB PRO 94 -2.138 6.274 5.423 669 HB3 PRO 94 2HB PRO 94 -3.642 6.743 4.622 670 HG2 PRO 94 1HG PRO 94 -2.970 6.745 7.539 671 HG3 PRO 94 2HG PRO 94 -3.831 7.969 6.588 672 HD2 PRO 94 1HD PRO 94 -5.115 6.175 8.158 673 HD3 PRO 94 2HD PRO 94 -5.819 6.804 6.655 674 H PHE 95 H PHE 95 -2.088 3.359 4.309 675 HA PHE 95 HA PHE 95 -1.138 1.858 6.586 676 HB2 PHE 95 1HB PHE 95 -0.590 1.765 3.630 677 HB3 PHE 95 2HB PHE 95 0.392 0.844 4.764 678 HD1 PHE 95 1HD PHE 95 -1.253 -0.375 6.619 679 HD2 PHE 95 2HD PHE 95 -2.172 0.515 2.559 680 HE1 PHE 95 1HE PHE 95 -2.928 -2.177 6.606 681 HE2 PHE 95 2HE PHE 95 -3.848 -1.285 2.540 682 HZ PHE 95 HZ PHE 95 -4.229 -2.633 4.566 683 H LYS 96 H LYS 96 0.527 2.405 7.815 684 HA LYS 96 HA LYS 96 2.227 4.624 7.050 685 HB2 LYS 96 1HB LYS 96 2.139 2.961 9.574 686 HB3 LYS 96 2HB LYS 96 3.153 4.379 9.339 687 HG2 LYS 96 1HG LYS 96 0.159 4.464 9.113 688 HG3 LYS 96 2HG LYS 96 1.019 4.733 10.630 689 HD2 LYS 96 1HD LYS 96 1.799 6.288 8.203 690 HD3 LYS 96 2HD LYS 96 0.355 6.755 9.105 691 HE2 LYS 96 1HE LYS 96 2.931 6.286 10.547 692 HE3 LYS 96 2HE LYS 96 2.666 7.808 9.699 693 HZ1 LYS 96 1HZ LYS 96 0.861 8.331 11.062 694 HZ2 LYS 96 2HZ LYS 96 2.017 7.713 12.130 695 HZ3 LYS 96 3HZ LYS 96 0.711 6.752 11.650 696 H ILE 97 H ILE 97 3.831 4.159 5.679 697 HA ILE 97 HA ILE 97 5.387 1.701 6.126 698 HB ILE 97 HB ILE 97 6.213 2.034 3.793 699 HG12 ILE 97 1HG1 ILE 97 4.098 4.196 3.793 700 HG13 ILE 97 2HG1 ILE 97 5.826 4.407 3.530 701 HG21 ILE 97 1HG2 ILE 97 3.230 1.888 3.707 702 HG22 ILE 97 2HG2 ILE 97 4.425 0.922 2.843 703 HG23 ILE 97 3HG2 ILE 97 4.151 0.652 4.564 704 HD11 ILE 97 1HD1 ILE 97 3.878 3.004 1.719 705 HD12 ILE 97 2HD1 ILE 97 4.688 4.545 1.432 706 HD13 ILE 97 3HD1 ILE 97 5.623 3.051 1.471 707 H ARG 98 H ARG 98 7.376 1.891 6.905 708 HA ARG 98 HA ARG 98 8.548 4.505 7.266 709 HB2 ARG 98 1HB ARG 98 8.587 2.422 8.870 710 HB3 ARG 98 2HB ARG 98 9.987 1.962 7.910 711 HG2 ARG 98 1HG ARG 98 11.259 3.713 8.670 712 HG3 ARG 98 2HG ARG 98 9.853 4.711 9.045 713 HD2 ARG 98 1HD ARG 98 10.316 2.173 10.551 714 HD3 ARG 98 2HD ARG 98 11.239 3.617 10.967 715 HE ARG 98 HE ARG 98 8.410 4.076 10.818 716 HH11 ARG 98 1HH1 ARG 98 11.022 2.991 12.849 717 HH12 ARG 98 2HH1 ARG 98 10.201 3.367 14.328 718 HH21 ARG 98 1HH2 ARG 98 7.319 4.575 12.759 719 HH22 ARG 98 2HH2 ARG 98 8.095 4.266 14.275 720 H VAL 99 H VAL 99 10.147 5.403 6.113 721 HA VAL 99 HA VAL 99 11.462 3.745 4.059 722 HB VAL 99 HB VAL 99 10.669 6.652 3.844 723 HG11 VAL 99 1HG1 VAL 99 12.863 5.953 2.764 724 HG12 VAL 99 2HG1 VAL 99 11.887 4.960 1.680 725 HG13 VAL 99 3HG1 VAL 99 11.666 6.710 1.714 726 HG21 VAL 99 1HG2 VAL 99 9.242 5.818 1.982 727 HG22 VAL 99 2HG2 VAL 99 9.639 4.172 2.473 728 HG23 VAL 99 3HG2 VAL 99 8.755 5.230 3.572 729 H GLY 100 H GLY 100 13.564 3.520 4.420 730 HA2 GLY 100 1HA GLY 100 15.729 4.649 4.489 731 HA3 GLY 100 2HA GLY 100 15.022 5.787 5.627 732 H GLU 101 H GLU 101 14.447 2.340 5.794 733 HA GLU 101 HA GLU 101 15.984 2.282 8.305 734 HB2 GLU 101 1HB GLU 101 13.554 0.712 7.442 735 HB3 GLU 101 2HB GLU 101 14.494 0.323 8.876 736 HG2 GLU 101 1HG GLU 101 13.410 3.078 8.519 737 HG3 GLU 101 2HG GLU 101 12.355 1.779 9.072 738 H GLN 102 H GLN 102 17.102 0.310 8.840 739 HA GLN 102 HA GLN 102 18.372 -0.857 6.515 740 HB2 GLN 102 1HB GLN 102 19.896 -1.894 8.134 741 HB3 GLN 102 2HB GLN 102 19.752 -0.163 8.405 742 HG2 GLN 102 1HG GLN 102 18.161 -0.607 10.229 743 HG3 GLN 102 2HG GLN 102 18.393 -2.336 9.981 744 HE21 GLN 102 1HE2 GLN 102 20.137 0.647 10.711 745 HE22 GLN 102 2HE2 GLN 102 21.341 -0.090 11.707 746 H SER 103 H SER 103 18.578 -3.127 6.162 747 HA SER 103 HA SER 103 17.006 -5.009 7.631 748 HB2 SER 103 1HB SER 103 15.216 -3.889 6.347 749 HB3 SER 103 2HB SER 103 16.060 -4.279 4.848 750 HG SER 103 HG SER 103 15.599 -6.389 5.119 751 H GLN 104 H GLN 104 17.442 -7.147 7.055 752 HA GLN 104 HA GLN 104 19.036 -8.726 6.506 753 HB2 GLN 104 1HB GLN 104 18.962 -9.235 4.074 754 HB3 GLN 104 2HB GLN 104 17.370 -9.023 4.791 755 HG2 GLN 104 1HG GLN 104 17.107 -6.891 3.808 756 HG3 GLN 104 2HG GLN 104 18.805 -6.821 3.339 757 HE21 GLN 104 1HE2 GLN 104 19.444 -7.726 1.456 758 HE22 GLN 104 2HE2 GLN 104 18.374 -8.488 0.334 759 H ALA 105 H ALA 105 20.210 -6.127 6.994 760 HA ALA 105 HA ALA 105 22.109 -5.439 5.027 761 HB1 ALA 105 1HB ALA 105 21.579 -4.739 7.820 762 HB2 ALA 105 2HB ALA 105 23.277 -4.634 7.354 763 HB3 ALA 105 3HB ALA 105 22.061 -3.719 6.463 764 H GLY 106 H GLY 106 23.725 -6.654 4.305 765 HA2 GLY 106 1HA GLY 106 25.434 -8.184 4.231 766 HA3 GLY 106 2HA GLY 106 25.780 -7.673 5.876 767 H SER 107 H SER 107 26.245 -10.267 5.054 768 HA SER 107 HA SER 107 24.034 -11.810 6.224 769 HB2 SER 107 1HB SER 107 26.170 -12.442 4.239 770 HB3 SER 107 2HB SER 107 25.583 -13.749 5.267 771 HG SER 107 HG SER 107 23.420 -13.033 4.554 772 H GLY 108 H GLY 108 24.950 -13.915 7.333 773 HA2 GLY 108 1HA GLY 108 27.406 -13.903 8.658 774 HA3 GLY 108 2HA GLY 108 26.257 -13.066 9.691 775 HA PRO 109 HA PRO 109 24.677 -17.626 9.207 776 HB2 PRO 109 1HB PRO 109 26.460 -19.390 8.167 777 HB3 PRO 109 2HB PRO 109 25.300 -18.499 7.175 778 HG2 PRO 109 1HG PRO 109 28.197 -17.931 7.672 779 HG3 PRO 109 2HG PRO 109 27.287 -17.856 6.152 780 HD2 PRO 109 1HD PRO 109 27.888 -15.649 7.602 781 HD3 PRO 109 2HD PRO 109 26.403 -15.783 6.638 782 H SER 110 H SER 110 25.119 -19.554 10.505 783 HA SER 110 HA SER 110 27.492 -19.320 12.223 784 HB2 SER 110 1HB SER 110 26.139 -19.749 14.212 785 HB3 SER 110 2HB SER 110 25.559 -18.302 13.388 786 HG SER 110 HG SER 110 23.720 -19.349 13.623 787 H SER 111 H SER 111 28.608 -21.125 11.914 788 HA SER 111 HA SER 111 27.870 -23.454 10.737 789 HB2 SER 111 1HB SER 111 30.185 -22.997 11.326 790 HB3 SER 111 2HB SER 111 29.806 -23.133 13.043 791 HG SER 111 HG SER 111 29.448 -25.303 12.784 792 H GLY 112 H GLY 112 26.690 -25.214 11.208 793 HA2 GLY 112 1HA GLY 112 25.260 -26.611 12.334 794 HA3 GLY 112 2HA GLY 112 26.240 -26.281 13.755 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -35.637 -11.520 10.648 2 HA2 GLY 1 1HA GLY 1 -35.056 -10.520 13.311 3 HA3 GLY 1 2HA GLY 1 -34.048 -11.597 12.356 4 H SER 2 H SER 2 -33.715 -10.131 10.044 5 HA SER 2 HA SER 2 -32.102 -7.886 11.045 6 HB2 SER 2 1HB SER 2 -30.935 -9.765 9.845 7 HB3 SER 2 2HB SER 2 -31.827 -9.315 8.392 8 HG SER 2 HG SER 2 -30.287 -7.931 8.083 9 H SER 3 H SER 3 -32.760 -5.895 10.621 10 HA SER 3 HA SER 3 -34.765 -5.486 8.517 11 HB2 SER 3 1HB SER 3 -35.284 -4.757 10.865 12 HB3 SER 3 2HB SER 3 -33.979 -3.579 10.731 13 HG SER 3 HG SER 3 -36.176 -3.711 8.943 14 H GLY 4 H GLY 4 -34.613 -3.583 7.160 15 HA2 GLY 4 1HA GLY 4 -33.453 -2.378 5.580 16 HA3 GLY 4 2HA GLY 4 -32.522 -1.813 6.959 17 H SER 5 H SER 5 -30.466 -1.833 6.288 18 HA SER 5 HA SER 5 -29.473 -4.246 4.927 19 HB2 SER 5 1HB SER 5 -28.464 -1.397 4.923 20 HB3 SER 5 2HB SER 5 -27.542 -2.746 4.259 21 HG SER 5 HG SER 5 -29.127 -1.397 2.885 22 H SER 6 H SER 6 -28.219 -5.574 6.042 23 HA SER 6 HA SER 6 -27.469 -5.101 8.714 24 HB2 SER 6 1HB SER 6 -26.161 -7.198 8.498 25 HB3 SER 6 2HB SER 6 -27.800 -7.364 7.870 26 HG SER 6 HG SER 6 -26.575 -8.209 6.297 27 H GLY 7 H GLY 7 -25.556 -5.114 5.714 28 HA2 GLY 7 1HA GLY 7 -23.946 -3.040 5.952 29 HA3 GLY 7 2HA GLY 7 -23.245 -4.082 7.181 30 H SER 8 H SER 8 -23.330 -3.297 3.887 31 HA SER 8 HA SER 8 -22.088 -5.810 3.060 32 HB2 SER 8 1HB SER 8 -23.880 -4.713 1.666 33 HB3 SER 8 2HB SER 8 -22.739 -3.407 1.342 34 HG SER 8 HG SER 8 -22.906 -5.316 -0.181 35 H ASP 9 H ASP 9 -20.044 -5.769 3.905 36 HA ASP 9 HA ASP 9 -18.288 -3.610 2.931 37 HB2 ASP 9 1HB ASP 9 -18.794 -3.862 5.506 38 HB3 ASP 9 2HB ASP 9 -17.602 -5.154 5.399 39 H ASP 10 H ASP 10 -17.148 -4.429 1.300 40 HA ASP 10 HA ASP 10 -16.173 -7.195 1.497 41 HB2 ASP 10 1HB ASP 10 -16.288 -5.429 -0.955 42 HB3 ASP 10 2HB ASP 10 -15.916 -7.150 -0.909 43 H ALA 11 H ALA 11 -15.187 -3.914 1.527 44 HA ALA 11 HA ALA 11 -12.603 -4.005 0.537 45 HB1 ALA 11 1HB ALA 11 -12.819 -1.867 1.092 46 HB2 ALA 11 2HB ALA 11 -14.151 -2.232 2.188 47 HB3 ALA 11 3HB ALA 11 -12.487 -2.319 2.764 48 H ARG 12 H ARG 12 -13.884 -5.298 3.494 49 HA ARG 12 HA ARG 12 -11.540 -5.510 5.007 50 HB2 ARG 12 1HB ARG 12 -12.700 -7.149 6.321 51 HB3 ARG 12 2HB ARG 12 -13.860 -5.918 5.841 52 HG2 ARG 12 1HG ARG 12 -14.754 -7.362 4.132 53 HG3 ARG 12 2HG ARG 12 -13.520 -8.577 4.472 54 HD2 ARG 12 1HD ARG 12 -15.479 -9.313 5.566 55 HD3 ARG 12 2HD ARG 12 -14.434 -8.659 6.826 56 HE ARG 12 HE ARG 12 -16.969 -7.590 5.928 57 HH11 ARG 12 1HH1 ARG 12 -14.018 -7.015 7.683 58 HH12 ARG 12 2HH1 ARG 12 -14.674 -5.715 8.620 59 HH21 ARG 12 1HH2 ARG 12 -17.845 -5.879 7.156 60 HH22 ARG 12 2HH2 ARG 12 -16.852 -5.070 8.320 61 H ARG 13 H ARG 13 -12.522 -7.161 2.177 62 HA ARG 13 HA ARG 13 -10.837 -9.473 2.613 63 HB2 ARG 13 1HB ARG 13 -12.245 -8.601 0.085 64 HB3 ARG 13 2HB ARG 13 -11.566 -10.189 0.416 65 HG2 ARG 13 1HG ARG 13 -13.226 -10.659 2.039 66 HG3 ARG 13 2HG ARG 13 -13.789 -8.987 2.041 67 HD2 ARG 13 1HD ARG 13 -14.836 -9.202 -0.014 68 HD3 ARG 13 2HD ARG 13 -13.850 -10.586 -0.484 69 HE ARG 13 HE ARG 13 -15.265 -11.511 1.632 70 HH11 ARG 13 1HH1 ARG 13 -16.144 -9.925 -1.340 71 HH12 ARG 13 2HH1 ARG 13 -17.690 -10.701 -1.449 72 HH21 ARG 13 1HH2 ARG 13 -17.297 -12.539 1.499 73 HH22 ARG 13 2HH2 ARG 13 -18.345 -12.187 0.167 74 H LEU 14 H LEU 14 -10.264 -6.331 1.784 75 HA LEU 14 HA LEU 14 -8.223 -6.821 -0.214 76 HB2 LEU 14 1HB LEU 14 -8.744 -4.245 1.245 77 HB3 LEU 14 2HB LEU 14 -7.956 -4.470 -0.316 78 HG LEU 14 HG LEU 14 -10.869 -5.072 0.154 79 HD11 LEU 14 1HD1 LEU 14 -11.154 -2.867 -1.124 80 HD12 LEU 14 2HD1 LEU 14 -9.510 -2.509 -0.599 81 HD13 LEU 14 3HD1 LEU 14 -10.776 -2.786 0.597 82 HD21 LEU 14 1HD2 LEU 14 -9.048 -5.458 -2.021 83 HD22 LEU 14 2HD2 LEU 14 -10.299 -4.307 -2.491 84 HD23 LEU 14 3HD2 LEU 14 -10.749 -5.906 -1.898 85 H THR 15 H THR 15 -6.250 -7.462 0.304 86 HA THR 15 HA THR 15 -5.053 -6.487 2.809 87 HB THR 15 HB THR 15 -3.917 -8.684 3.072 88 HG1 THR 15 1HG THR 15 -5.816 -9.765 1.279 89 HG21 THR 15 1HG2 THR 15 -6.098 -8.048 4.215 90 HG22 THR 15 2HG2 THR 15 -5.735 -9.772 4.125 91 HG23 THR 15 3HG2 THR 15 -6.904 -9.057 3.015 92 H VAL 16 H VAL 16 -2.650 -6.710 2.821 93 HA VAL 16 HA VAL 16 -1.443 -6.693 0.153 94 HB VAL 16 HB VAL 16 -0.979 -4.485 2.163 95 HG11 VAL 16 1HG1 VAL 16 0.449 -3.490 0.549 96 HG12 VAL 16 2HG1 VAL 16 0.950 -5.176 0.698 97 HG13 VAL 16 3HG1 VAL 16 -0.018 -4.661 -0.684 98 HG21 VAL 16 1HG2 VAL 16 -2.000 -3.096 0.255 99 HG22 VAL 16 2HG2 VAL 16 -2.660 -4.628 -0.318 100 HG23 VAL 16 3HG2 VAL 16 -3.092 -4.026 1.282 101 H THR 17 H THR 17 0.015 -8.269 0.296 102 HA THR 17 HA THR 17 1.494 -8.654 2.793 103 HB THR 17 HB THR 17 1.420 -10.416 0.336 104 HG1 THR 17 1HG THR 17 -0.532 -10.730 1.195 105 HG21 THR 17 1HG2 THR 17 2.122 -11.810 2.705 106 HG22 THR 17 2HG2 THR 17 3.150 -10.381 2.599 107 HG23 THR 17 3HG2 THR 17 3.104 -11.535 1.267 108 H SER 18 H SER 18 2.235 -8.689 -0.700 109 HA SER 18 HA SER 18 4.908 -8.652 -0.757 110 HB2 SER 18 1HB SER 18 3.399 -8.377 -2.742 111 HB3 SER 18 2HB SER 18 3.270 -6.663 -2.345 112 HG SER 18 HG SER 18 5.747 -6.893 -2.391 113 H LEU 19 H LEU 19 2.923 -5.793 -0.056 114 HA LEU 19 HA LEU 19 4.778 -3.819 0.131 115 HB2 LEU 19 1HB LEU 19 2.500 -3.311 0.529 116 HB3 LEU 19 2HB LEU 19 2.426 -4.404 1.910 117 HG LEU 19 HG LEU 19 4.121 -2.793 2.999 118 HD11 LEU 19 1HD1 LEU 19 4.386 -0.672 2.164 119 HD12 LEU 19 2HD1 LEU 19 2.908 -0.744 1.205 120 HD13 LEU 19 3HD1 LEU 19 4.347 -1.616 0.675 121 HD21 LEU 19 1HD2 LEU 19 2.187 -1.206 3.569 122 HD22 LEU 19 2HD2 LEU 19 1.995 -2.917 3.951 123 HD23 LEU 19 3HD2 LEU 19 1.212 -2.238 2.523 124 H GLN 20 H GLN 20 6.164 -2.993 1.716 125 HA GLN 20 HA GLN 20 6.956 -4.938 3.784 126 HB2 GLN 20 1HB GLN 20 8.534 -4.308 1.768 127 HB3 GLN 20 2HB GLN 20 8.862 -2.883 2.745 128 HG2 GLN 20 1HG GLN 20 9.617 -4.266 4.575 129 HG3 GLN 20 2HG GLN 20 9.201 -5.724 3.676 130 HE21 GLN 20 1HE2 GLN 20 10.930 -6.700 2.933 131 HE22 GLN 20 2HE2 GLN 20 12.347 -5.937 2.305 132 H GLU 21 H GLU 21 5.607 -4.037 5.367 133 HA GLU 21 HA GLU 21 5.071 -1.529 6.107 134 HB2 GLU 21 1HB GLU 21 5.855 -3.853 7.850 135 HB3 GLU 21 2HB GLU 21 5.347 -2.318 8.541 136 HG2 GLU 21 1HG GLU 21 3.284 -2.629 6.971 137 HG3 GLU 21 2HG GLU 21 3.766 -4.324 7.011 138 H THR 22 H THR 22 8.031 -3.182 7.217 139 HA THR 22 HA THR 22 9.350 -0.553 7.322 140 HB THR 22 HB THR 22 10.618 -1.350 9.327 141 HG1 THR 22 1HG THR 22 8.682 -3.437 9.201 142 HG21 THR 22 1HG2 THR 22 7.853 -0.505 9.193 143 HG22 THR 22 2HG2 THR 22 9.129 -0.001 10.302 144 HG23 THR 22 3HG2 THR 22 8.170 -1.439 10.654 145 H GLY 23 H GLY 23 11.257 -0.463 6.304 146 HA2 GLY 23 1HA GLY 23 13.423 -1.896 6.174 147 HA3 GLY 23 2HA GLY 23 12.369 -2.982 5.281 148 H LEU 24 H LEU 24 10.988 -0.412 4.274 149 HA LEU 24 HA LEU 24 12.389 -0.286 1.807 150 HB2 LEU 24 1HB LEU 24 10.235 1.523 2.892 151 HB3 LEU 24 2HB LEU 24 10.773 1.457 1.215 152 HG LEU 24 HG LEU 24 9.404 -0.783 2.704 153 HD11 LEU 24 1HD1 LEU 24 8.149 1.417 1.971 154 HD12 LEU 24 2HD1 LEU 24 7.423 -0.175 1.752 155 HD13 LEU 24 3HD1 LEU 24 8.195 0.636 0.390 156 HD21 LEU 24 1HD2 LEU 24 9.210 -1.277 0.014 157 HD22 LEU 24 2HD2 LEU 24 10.351 -2.044 1.120 158 HD23 LEU 24 3HD2 LEU 24 10.847 -0.641 0.172 159 H LYS 25 H LYS 25 13.428 1.525 0.852 160 HA LYS 25 HA LYS 25 14.519 3.452 2.797 161 HB2 LYS 25 1HB LYS 25 15.888 1.929 0.597 162 HB3 LYS 25 2HB LYS 25 16.544 3.453 1.180 163 HG2 LYS 25 1HG LYS 25 16.875 2.575 3.359 164 HG3 LYS 25 2HG LYS 25 15.953 1.118 2.980 165 HD2 LYS 25 1HD LYS 25 18.254 0.523 2.903 166 HD3 LYS 25 2HD LYS 25 17.689 0.603 1.232 167 HE2 LYS 25 1HE LYS 25 19.661 1.763 1.071 168 HE3 LYS 25 2HE LYS 25 18.535 3.080 1.394 169 HZ1 LYS 25 1HZ LYS 25 20.050 1.707 3.538 170 HZ2 LYS 25 2HZ LYS 25 19.205 3.169 3.636 171 HZ3 LYS 25 3HZ LYS 25 20.637 3.079 2.739 172 H VAL 26 H VAL 26 15.599 5.354 1.516 173 HA VAL 26 HA VAL 26 13.493 6.617 0.047 174 HB VAL 26 HB VAL 26 14.928 7.906 1.558 175 HG11 VAL 26 1HG1 VAL 26 17.163 7.896 1.500 176 HG12 VAL 26 2HG1 VAL 26 17.001 6.489 0.447 177 HG13 VAL 26 3HG1 VAL 26 17.206 8.096 -0.252 178 HG21 VAL 26 1HG2 VAL 26 15.132 9.832 0.213 179 HG22 VAL 26 2HG2 VAL 26 15.394 8.881 -1.249 180 HG23 VAL 26 3HG2 VAL 26 13.804 8.907 -0.487 181 H ASN 27 H ASN 27 13.901 7.725 -2.054 182 HA ASN 27 HA ASN 27 14.122 7.412 -4.313 183 HB2 ASN 27 1HB ASN 27 16.428 7.431 -5.072 184 HB3 ASN 27 2HB ASN 27 16.274 8.462 -3.652 185 HD21 ASN 27 1HD2 ASN 27 17.768 8.219 -2.166 186 HD22 ASN 27 2HD2 ASN 27 18.731 6.807 -1.908 187 H GLN 28 H GLN 28 13.309 5.041 -2.887 188 HA GLN 28 HA GLN 28 14.456 2.985 -4.659 189 HB2 GLN 28 1HB GLN 28 13.812 2.924 -1.757 190 HB3 GLN 28 2HB GLN 28 13.491 1.465 -2.684 191 HG2 GLN 28 1HG GLN 28 16.147 2.802 -2.906 192 HG3 GLN 28 2HG GLN 28 15.783 1.794 -1.506 193 HE21 GLN 28 1HE2 GLN 28 17.602 1.549 -3.923 194 HE22 GLN 28 2HE2 GLN 28 17.276 -0.035 -4.528 195 HA PRO 29 HA PRO 29 10.337 2.673 -6.245 196 HB2 PRO 29 1HB PRO 29 10.701 0.403 -7.688 197 HB3 PRO 29 2HB PRO 29 11.318 1.977 -8.202 198 HG2 PRO 29 1HG PRO 29 12.755 -0.266 -6.837 199 HG3 PRO 29 2HG PRO 29 13.295 0.753 -8.183 200 HD2 PRO 29 1HD PRO 29 14.098 1.165 -5.630 201 HD3 PRO 29 2HD PRO 29 13.892 2.492 -6.792 202 H ALA 30 H ALA 30 9.198 2.228 -4.325 203 HA ALA 30 HA ALA 30 9.091 -0.552 -3.423 204 HB1 ALA 30 1HB ALA 30 7.358 0.928 -1.839 205 HB2 ALA 30 2HB ALA 30 9.010 0.454 -1.440 206 HB3 ALA 30 3HB ALA 30 8.697 2.027 -2.173 207 H SER 31 H SER 31 7.680 -1.829 -4.415 208 HA SER 31 HA SER 31 4.988 -0.781 -4.965 209 HB2 SER 31 1HB SER 31 5.038 -2.326 -7.029 210 HB3 SER 31 2HB SER 31 5.919 -0.802 -7.128 211 HG SER 31 HG SER 31 7.227 -2.465 -7.880 212 H PHE 32 H PHE 32 3.315 -2.153 -4.544 213 HA PHE 32 HA PHE 32 3.954 -4.905 -3.750 214 HB2 PHE 32 1HB PHE 32 2.068 -4.399 -1.928 215 HB3 PHE 32 2HB PHE 32 3.777 -4.123 -1.609 216 HD1 PHE 32 2HD PHE 32 4.695 -1.844 -1.658 217 HD2 PHE 32 1HD PHE 32 0.528 -2.592 -2.103 218 HE1 PHE 32 2HE PHE 32 4.221 0.520 -1.169 219 HE2 PHE 32 1HE PHE 32 0.048 -0.229 -1.615 220 HZ PHE 32 HZ PHE 32 1.896 1.330 -1.146 221 H ALA 33 H ALA 33 1.705 -6.037 -3.219 222 HA ALA 33 HA ALA 33 -0.146 -5.333 -5.404 223 HB1 ALA 33 1HB ALA 33 0.476 -8.121 -4.440 224 HB2 ALA 33 2HB ALA 33 -0.543 -7.667 -5.807 225 HB3 ALA 33 3HB ALA 33 1.194 -7.370 -5.866 226 H VAL 34 H VAL 34 -2.275 -5.231 -4.934 227 HA VAL 34 HA VAL 34 -3.071 -5.898 -2.175 228 HB VAL 34 HB VAL 34 -4.394 -3.867 -3.974 229 HG11 VAL 34 1HG1 VAL 34 -4.983 -4.995 -1.355 230 HG12 VAL 34 2HG1 VAL 34 -4.920 -3.231 -1.348 231 HG13 VAL 34 3HG1 VAL 34 -6.013 -4.071 -2.448 232 HG21 VAL 34 1HG2 VAL 34 -2.976 -2.792 -1.689 233 HG22 VAL 34 2HG2 VAL 34 -1.891 -3.627 -2.801 234 HG23 VAL 34 3HG2 VAL 34 -2.910 -2.311 -3.385 235 H GLN 35 H GLN 35 -3.963 -7.885 -2.332 236 HA GLN 35 HA GLN 35 -5.649 -8.616 -4.556 237 HB2 GLN 35 1HB GLN 35 -4.044 -10.101 -3.064 238 HB3 GLN 35 2HB GLN 35 -5.488 -10.264 -2.073 239 HG2 GLN 35 1HG GLN 35 -6.714 -11.158 -3.964 240 HG3 GLN 35 2HG GLN 35 -5.305 -10.941 -5.000 241 HE21 GLN 35 1HE2 GLN 35 -6.054 -12.390 -1.844 242 HE22 GLN 35 2HE2 GLN 35 -5.186 -13.858 -2.122 243 H LEU 36 H LEU 36 -7.839 -8.794 -4.587 244 HA LEU 36 HA LEU 36 -9.288 -7.390 -2.514 245 HB2 LEU 36 1HB LEU 36 -10.529 -8.754 -4.876 246 HB3 LEU 36 2HB LEU 36 -11.104 -7.346 -3.987 247 HG LEU 36 HG LEU 36 -8.644 -7.326 -5.728 248 HD11 LEU 36 1HD1 LEU 36 -10.333 -5.909 -7.169 249 HD12 LEU 36 2HD1 LEU 36 -11.519 -6.952 -6.386 250 HD13 LEU 36 3HD1 LEU 36 -10.221 -7.660 -7.345 251 HD21 LEU 36 1HD2 LEU 36 -10.224 -5.254 -4.251 252 HD22 LEU 36 2HD2 LEU 36 -9.267 -4.825 -5.669 253 HD23 LEU 36 3HD2 LEU 36 -8.483 -5.534 -4.257 254 H ASN 37 H ASN 37 -8.701 -10.657 -3.489 255 HA ASN 37 HA ASN 37 -9.420 -12.674 -2.713 256 HB2 ASN 37 1HB ASN 37 -9.678 -10.954 -0.248 257 HB3 ASN 37 2HB ASN 37 -9.975 -12.690 -0.220 258 HD21 ASN 37 1HD2 ASN 37 -7.646 -10.224 -0.159 259 HD22 ASN 37 2HD2 ASN 37 -6.239 -11.226 -0.154 260 H GLY 38 H GLY 38 -11.341 -11.385 -4.202 261 HA2 GLY 38 1HA GLY 38 -13.556 -12.410 -4.499 262 HA3 GLY 38 2HA GLY 38 -13.816 -12.151 -2.781 263 H ALA 39 H ALA 39 -12.850 -9.528 -2.565 264 HA ALA 39 HA ALA 39 -15.074 -8.000 -3.068 265 HB1 ALA 39 1HB ALA 39 -12.316 -7.486 -2.312 266 HB2 ALA 39 2HB ALA 39 -13.027 -6.158 -3.229 267 HB3 ALA 39 3HB ALA 39 -13.805 -6.725 -1.751 268 H ARG 40 H ARG 40 -15.488 -6.280 -4.589 269 HA ARG 40 HA ARG 40 -14.075 -6.465 -7.144 270 HB2 ARG 40 1HB ARG 40 -15.955 -8.002 -7.364 271 HB3 ARG 40 2HB ARG 40 -17.068 -6.749 -6.833 272 HG2 ARG 40 1HG ARG 40 -17.323 -6.784 -9.140 273 HG3 ARG 40 2HG ARG 40 -16.236 -5.422 -8.860 274 HD2 ARG 40 1HD ARG 40 -14.394 -6.554 -9.680 275 HD3 ARG 40 2HD ARG 40 -15.109 -8.138 -9.382 276 HE ARG 40 HE ARG 40 -16.641 -6.804 -11.314 277 HH11 ARG 40 1HH1 ARG 40 -13.494 -8.240 -10.927 278 HH12 ARG 40 2HH1 ARG 40 -13.330 -8.649 -12.602 279 HH21 ARG 40 1HH2 ARG 40 -16.438 -7.337 -13.523 280 HH22 ARG 40 2HH2 ARG 40 -15.005 -8.134 -14.078 281 H GLY 41 H GLY 41 -13.410 -4.460 -7.533 282 HA2 GLY 41 1HA GLY 41 -15.159 -2.307 -7.948 283 HA3 GLY 41 2HA GLY 41 -14.478 -2.149 -6.335 284 H VAL 42 H VAL 42 -13.176 -0.409 -6.619 285 HA VAL 42 HA VAL 42 -10.918 -0.769 -8.466 286 HB VAL 42 HB VAL 42 -12.418 1.821 -8.050 287 HG11 VAL 42 1HG1 VAL 42 -9.829 1.786 -8.393 288 HG12 VAL 42 2HG1 VAL 42 -10.255 1.435 -10.069 289 HG13 VAL 42 3HG1 VAL 42 -10.829 2.917 -9.304 290 HG21 VAL 42 1HG2 VAL 42 -13.656 1.284 -9.813 291 HG22 VAL 42 2HG2 VAL 42 -12.210 0.986 -10.778 292 HG23 VAL 42 3HG2 VAL 42 -12.914 -0.316 -9.818 293 H ILE 43 H ILE 43 -8.967 -0.344 -7.613 294 HA ILE 43 HA ILE 43 -8.898 0.693 -4.864 295 HB ILE 43 HB ILE 43 -6.867 -0.964 -6.363 296 HG12 ILE 43 1HG1 ILE 43 -9.095 -1.961 -5.420 297 HG13 ILE 43 2HG1 ILE 43 -7.575 -2.798 -5.128 298 HG21 ILE 43 1HG2 ILE 43 -6.749 0.488 -3.775 299 HG22 ILE 43 2HG2 ILE 43 -5.983 -1.097 -3.874 300 HG23 ILE 43 3HG2 ILE 43 -5.483 0.194 -4.967 301 HD11 ILE 43 1HD1 ILE 43 -9.195 -2.537 -3.179 302 HD12 ILE 43 2HD1 ILE 43 -7.503 -2.125 -2.898 303 HD13 ILE 43 3HD1 ILE 43 -8.692 -0.847 -3.151 304 H ASP 44 H ASP 44 -8.230 2.706 -4.587 305 HA ASP 44 HA ASP 44 -6.490 3.914 -6.630 306 HB2 ASP 44 1HB ASP 44 -8.811 4.902 -6.109 307 HB3 ASP 44 2HB ASP 44 -8.092 5.455 -4.599 308 H ALA 45 H ALA 45 -4.433 4.106 -6.076 309 HA ALA 45 HA ALA 45 -3.729 4.248 -3.228 310 HB1 ALA 45 1HB ALA 45 -2.744 2.621 -5.184 311 HB2 ALA 45 2HB ALA 45 -1.541 3.911 -5.141 312 HB3 ALA 45 3HB ALA 45 -1.918 3.008 -3.674 313 H ARG 46 H ARG 46 -2.620 5.940 -2.381 314 HA ARG 46 HA ARG 46 -1.415 7.940 -4.090 315 HB2 ARG 46 1HB ARG 46 -3.882 8.488 -2.454 316 HB3 ARG 46 2HB ARG 46 -2.758 9.769 -2.889 317 HG2 ARG 46 1HG ARG 46 -3.115 8.835 -5.311 318 HG3 ARG 46 2HG ARG 46 -4.606 8.200 -4.612 319 HD2 ARG 46 1HD ARG 46 -4.789 10.672 -3.683 320 HD3 ARG 46 2HD ARG 46 -3.764 11.013 -5.077 321 HE ARG 46 HE ARG 46 -5.959 9.421 -5.859 322 HH11 ARG 46 1HH1 ARG 46 -5.162 12.663 -4.872 323 HH12 ARG 46 2HH1 ARG 46 -6.468 13.390 -5.747 324 HH21 ARG 46 1HH2 ARG 46 -7.683 10.366 -7.015 325 HH22 ARG 46 2HH2 ARG 46 -7.902 12.083 -6.965 326 H VAL 47 H VAL 47 0.440 8.470 -3.162 327 HA VAL 47 HA VAL 47 0.789 8.030 -0.295 328 HB VAL 47 HB VAL 47 3.217 8.465 -0.801 329 HG11 VAL 47 1HG1 VAL 47 1.580 6.199 -1.508 330 HG12 VAL 47 2HG1 VAL 47 3.021 6.281 -2.524 331 HG13 VAL 47 3HG1 VAL 47 3.180 6.242 -0.768 332 HG21 VAL 47 1HG2 VAL 47 2.838 7.960 -3.660 333 HG22 VAL 47 2HG2 VAL 47 2.284 9.547 -3.127 334 HG23 VAL 47 3HG2 VAL 47 3.952 9.053 -2.838 335 H HIS 48 H HIS 48 1.337 9.610 1.151 336 HA HIS 48 HA HIS 48 1.183 12.380 0.157 337 HB2 HIS 48 1HB HIS 48 0.272 11.132 2.742 338 HB3 HIS 48 2HB HIS 48 0.521 12.869 2.596 339 HD1 HIS 48 1HD HIS 48 -1.389 14.188 1.694 340 HD2 HIS 48 2HD HIS 48 -1.758 10.131 0.879 341 HE1 HIS 48 1HE HIS 48 -3.669 13.913 0.670 342 HE2 HIS 48 2HE HIS 48 -3.904 11.439 0.263 343 H THR 49 H THR 49 3.088 13.356 0.125 344 HA THR 49 HA THR 49 5.367 12.404 1.521 345 HB THR 49 HB THR 49 6.387 14.622 0.783 346 HG1 THR 49 1HG THR 49 5.078 16.058 -0.042 347 HG21 THR 49 1HG2 THR 49 5.972 13.913 -1.753 348 HG22 THR 49 2HG2 THR 49 5.317 12.476 -0.967 349 HG23 THR 49 3HG2 THR 49 6.984 12.964 -0.665 350 HA PRO 50 HA PRO 50 4.988 14.403 5.420 351 HB2 PRO 50 1HB PRO 50 7.611 14.647 6.076 352 HB3 PRO 50 2HB PRO 50 6.754 13.101 6.101 353 HG2 PRO 50 1HG PRO 50 8.565 14.228 4.001 354 HG3 PRO 50 2HG PRO 50 8.490 12.578 4.646 355 HD2 PRO 50 1HD PRO 50 7.368 13.271 2.281 356 HD3 PRO 50 2HD PRO 50 6.685 12.012 3.330 357 H SER 51 H SER 51 6.216 15.915 2.694 358 HA SER 51 HA SER 51 7.032 18.369 4.007 359 HB2 SER 51 1HB SER 51 8.285 17.766 2.049 360 HB3 SER 51 2HB SER 51 6.813 17.581 1.095 361 HG SER 51 HG SER 51 6.997 19.611 0.636 362 H GLY 52 H GLY 52 4.323 17.161 2.096 363 HA2 GLY 52 1HA GLY 52 2.142 18.149 2.884 364 HA3 GLY 52 2HA GLY 52 2.914 19.705 2.619 365 H ALA 53 H ALA 53 3.354 16.950 0.501 366 HA ALA 53 HA ALA 53 1.675 18.281 -1.521 367 HB1 ALA 53 1HB ALA 53 3.884 18.788 -2.180 368 HB2 ALA 53 2HB ALA 53 4.439 17.145 -1.857 369 HB3 ALA 53 3HB ALA 53 3.362 17.460 -3.217 370 H VAL 54 H VAL 54 0.156 17.012 -2.356 371 HA VAL 54 HA VAL 54 -0.007 14.245 -1.627 372 HB VAL 54 HB VAL 54 -1.731 15.948 -3.426 373 HG11 VAL 54 1HG1 VAL 54 -3.338 13.915 -2.950 374 HG12 VAL 54 2HG1 VAL 54 -2.209 13.890 -4.306 375 HG13 VAL 54 3HG1 VAL 54 -1.815 13.038 -2.813 376 HG21 VAL 54 1HG2 VAL 54 -1.617 15.445 -0.571 377 HG22 VAL 54 2HG2 VAL 54 -2.506 16.679 -1.466 378 HG23 VAL 54 3HG2 VAL 54 -3.201 15.072 -1.251 379 H GLU 55 H GLU 55 1.311 12.829 -2.589 380 HA GLU 55 HA GLU 55 2.018 13.143 -5.395 381 HB2 GLU 55 1HB GLU 55 3.019 11.486 -3.125 382 HB3 GLU 55 2HB GLU 55 3.301 10.913 -4.762 383 HG2 GLU 55 1HG GLU 55 4.135 13.597 -3.687 384 HG3 GLU 55 2HG GLU 55 5.188 12.197 -3.882 385 H GLU 56 H GLU 56 1.858 11.325 -6.886 386 HA GLU 56 HA GLU 56 -0.583 9.755 -6.393 387 HB2 GLU 56 1HB GLU 56 -0.826 9.647 -8.838 388 HB3 GLU 56 2HB GLU 56 -0.800 11.306 -8.257 389 HG2 GLU 56 1HG GLU 56 1.492 11.561 -8.963 390 HG3 GLU 56 2HG GLU 56 1.559 9.867 -9.448 391 H CYS 57 H CYS 57 -0.671 7.590 -7.262 392 HA CYS 57 HA CYS 57 1.984 6.317 -7.332 393 HB2 CYS 57 1HB CYS 57 -0.639 5.049 -6.523 394 HB3 CYS 57 2HB CYS 57 0.961 4.325 -6.407 395 HG CYS 57 HG CYS 57 -0.528 5.590 -4.005 396 H TYR 58 H TYR 58 1.942 4.151 -8.515 397 HA TYR 58 HA TYR 58 0.514 4.530 -11.060 398 HB2 TYR 58 1HB TYR 58 3.051 4.553 -11.049 399 HB3 TYR 58 2HB TYR 58 2.982 2.847 -10.623 400 HD1 TYR 58 1HD TYR 58 2.005 1.216 -12.232 401 HD2 TYR 58 2HD TYR 58 2.672 5.285 -13.281 402 HE1 TYR 58 1HE TYR 58 1.821 0.626 -14.612 403 HE2 TYR 58 2HE TYR 58 2.488 4.706 -15.665 404 HH TYR 58 HH TYR 58 2.072 1.349 -16.714 405 H VAL 59 H VAL 59 -1.199 3.262 -11.273 406 HA VAL 59 HA VAL 59 -0.984 0.451 -10.439 407 HB VAL 59 HB VAL 59 -2.303 1.280 -8.697 408 HG11 VAL 59 1HG1 VAL 59 -3.901 2.978 -8.817 409 HG12 VAL 59 2HG1 VAL 59 -2.628 3.518 -9.912 410 HG13 VAL 59 3HG1 VAL 59 -4.101 2.795 -10.559 411 HG21 VAL 59 1HG2 VAL 59 -4.474 0.585 -10.643 412 HG22 VAL 59 2HG2 VAL 59 -3.297 -0.623 -10.125 413 HG23 VAL 59 3HG2 VAL 59 -4.334 0.164 -8.936 414 H SER 60 H SER 60 -1.641 -0.964 -11.936 415 HA SER 60 HA SER 60 -2.721 0.079 -14.432 416 HB2 SER 60 1HB SER 60 -0.755 -1.616 -14.182 417 HB3 SER 60 2HB SER 60 -2.035 -2.808 -13.960 418 HG SER 60 HG SER 60 -2.529 -2.663 -16.009 419 H GLU 61 H GLU 61 -4.251 -1.660 -15.549 420 HA GLU 61 HA GLU 61 -6.690 -1.563 -14.107 421 HB2 GLU 61 1HB GLU 61 -5.877 -2.903 -16.680 422 HB3 GLU 61 2HB GLU 61 -7.504 -3.040 -16.031 423 HG2 GLU 61 1HG GLU 61 -6.244 -0.364 -16.479 424 HG3 GLU 61 2HG GLU 61 -7.026 -1.240 -17.794 425 H LEU 62 H LEU 62 -8.095 -3.659 -14.047 426 HA LEU 62 HA LEU 62 -6.719 -5.487 -12.281 427 HB2 LEU 62 1HB LEU 62 -9.081 -4.541 -11.987 428 HB3 LEU 62 2HB LEU 62 -9.567 -5.724 -13.199 429 HG LEU 62 HG LEU 62 -8.444 -7.432 -11.574 430 HD11 LEU 62 1HD1 LEU 62 -8.324 -6.854 -9.321 431 HD12 LEU 62 2HD1 LEU 62 -9.258 -5.376 -9.550 432 HD13 LEU 62 3HD1 LEU 62 -7.602 -5.473 -10.147 433 HD21 LEU 62 1HD2 LEU 62 -11.119 -6.160 -11.518 434 HD22 LEU 62 2HD2 LEU 62 -10.706 -7.230 -10.177 435 HD23 LEU 62 3HD2 LEU 62 -10.662 -7.835 -11.834 436 H ASP 63 H ASP 63 -6.323 -7.637 -12.624 437 HA ASP 63 HA ASP 63 -7.011 -8.744 -15.257 438 HB2 ASP 63 1HB ASP 63 -4.614 -7.874 -15.124 439 HB3 ASP 63 2HB ASP 63 -4.314 -9.178 -13.979 440 H SER 64 H SER 64 -5.555 -9.574 -12.110 441 HA SER 64 HA SER 64 -7.087 -12.091 -12.180 442 HB2 SER 64 1HB SER 64 -4.388 -11.494 -10.957 443 HB3 SER 64 2HB SER 64 -5.299 -12.965 -10.618 444 HG SER 64 HG SER 64 -4.007 -12.163 -12.959 445 H ASP 65 H ASP 65 -8.045 -9.544 -11.207 446 HA ASP 65 HA ASP 65 -9.334 -8.797 -9.482 447 HB2 ASP 65 1HB ASP 65 -8.653 -11.354 -8.026 448 HB3 ASP 65 2HB ASP 65 -10.040 -10.302 -7.757 449 H LYS 66 H LYS 66 -6.486 -8.275 -9.672 450 HA LYS 66 HA LYS 66 -6.090 -7.276 -6.975 451 HB2 LYS 66 1HB LYS 66 -4.149 -8.383 -6.463 452 HB3 LYS 66 2HB LYS 66 -4.967 -9.637 -7.385 453 HG2 LYS 66 1HG LYS 66 -2.950 -7.725 -8.541 454 HG3 LYS 66 2HG LYS 66 -2.576 -9.352 -7.967 455 HD2 LYS 66 1HD LYS 66 -4.554 -9.996 -9.601 456 HD3 LYS 66 2HD LYS 66 -4.088 -8.481 -10.379 457 HE2 LYS 66 1HE LYS 66 -1.686 -9.436 -10.246 458 HE3 LYS 66 2HE LYS 66 -2.490 -10.986 -10.002 459 HZ1 LYS 66 1HZ LYS 66 -2.179 -9.456 -12.401 460 HZ2 LYS 66 2HZ LYS 66 -3.788 -9.904 -12.135 461 HZ3 LYS 66 3HZ LYS 66 -2.582 -11.088 -12.208 462 H HIS 67 H HIS 67 -4.344 -5.686 -6.853 463 HA HIS 67 HA HIS 67 -3.665 -4.525 -9.472 464 HB2 HIS 67 1HB HIS 67 -4.687 -3.116 -7.007 465 HB3 HIS 67 2HB HIS 67 -3.872 -2.267 -8.317 466 HD1 HIS 67 1HD HIS 67 -5.107 -2.366 -10.691 467 HD2 HIS 67 2HD HIS 67 -7.349 -3.593 -7.415 468 HE1 HIS 67 1HE HIS 67 -7.499 -2.340 -11.466 469 HE2 HIS 67 2HE HIS 67 -8.844 -3.004 -9.442 470 H THR 68 H THR 68 -1.762 -3.143 -9.461 471 HA THR 68 HA THR 68 0.117 -3.802 -7.288 472 HB THR 68 HB THR 68 0.850 -3.549 -10.210 473 HG1 THR 68 1HG THR 68 -0.402 -5.519 -9.250 474 HG21 THR 68 1HG2 THR 68 2.880 -3.201 -9.308 475 HG22 THR 68 2HG2 THR 68 2.848 -4.927 -8.946 476 HG23 THR 68 3HG2 THR 68 2.371 -3.758 -7.715 477 H ILE 69 H ILE 69 0.826 -2.058 -6.267 478 HA ILE 69 HA ILE 69 0.621 0.550 -7.577 479 HB ILE 69 HB ILE 69 1.451 0.238 -4.724 480 HG12 ILE 69 1HG1 ILE 69 -0.492 -1.284 -5.067 481 HG13 ILE 69 2HG1 ILE 69 -0.849 0.062 -3.991 482 HG21 ILE 69 1HG2 ILE 69 -0.095 2.290 -4.613 483 HG22 ILE 69 2HG2 ILE 69 1.465 2.461 -5.414 484 HG23 ILE 69 3HG2 ILE 69 -0.003 2.273 -6.374 485 HD11 ILE 69 1HD1 ILE 69 -1.685 1.156 -6.250 486 HD12 ILE 69 2HD1 ILE 69 -1.891 -0.539 -6.693 487 HD13 ILE 69 3HD1 ILE 69 -2.713 0.108 -5.273 488 H ARG 70 H ARG 70 2.356 2.039 -7.582 489 HA ARG 70 HA ARG 70 5.000 1.098 -6.833 490 HB2 ARG 70 1HB ARG 70 4.461 0.327 -9.223 491 HB3 ARG 70 2HB ARG 70 4.558 2.027 -9.662 492 HG2 ARG 70 1HG ARG 70 6.837 2.147 -9.162 493 HG3 ARG 70 2HG ARG 70 6.799 0.652 -8.227 494 HD2 ARG 70 1HD ARG 70 7.789 -0.030 -10.201 495 HD3 ARG 70 2HD ARG 70 6.095 -0.437 -10.472 496 HE ARG 70 HE ARG 70 6.230 2.011 -11.529 497 HH11 ARG 70 1HH1 ARG 70 8.310 -0.758 -11.883 498 HH12 ARG 70 2HH1 ARG 70 8.795 -0.351 -13.496 499 HH21 ARG 70 1HH2 ARG 70 6.860 2.557 -13.652 500 HH22 ARG 70 2HH2 ARG 70 7.971 1.535 -14.501 501 H PHE 71 H PHE 71 5.999 2.725 -5.864 502 HA PHE 71 HA PHE 71 5.989 5.381 -6.962 503 HB2 PHE 71 1HB PHE 71 5.126 6.428 -4.837 504 HB3 PHE 71 2HB PHE 71 3.913 5.582 -5.791 505 HD1 PHE 71 1HD PHE 71 6.252 5.031 -2.947 506 HD2 PHE 71 2HD PHE 71 2.522 4.065 -4.755 507 HE1 PHE 71 1HE PHE 71 5.650 3.686 -0.976 508 HE2 PHE 71 2HE PHE 71 1.913 2.720 -2.787 509 HZ PHE 71 HZ PHE 71 3.477 2.529 -0.894 510 H ILE 72 H ILE 72 7.562 6.747 -6.012 511 HA ILE 72 HA ILE 72 9.431 5.351 -4.209 512 HB ILE 72 HB ILE 72 10.011 7.137 -6.561 513 HG12 ILE 72 1HG1 ILE 72 11.240 4.480 -5.840 514 HG13 ILE 72 2HG1 ILE 72 9.741 4.596 -6.756 515 HG21 ILE 72 1HG2 ILE 72 11.583 8.068 -5.232 516 HG22 ILE 72 2HG2 ILE 72 11.583 6.715 -4.102 517 HG23 ILE 72 3HG2 ILE 72 12.468 6.593 -5.622 518 HD11 ILE 72 1HD1 ILE 72 10.792 5.503 -8.601 519 HD12 ILE 72 2HD1 ILE 72 12.184 6.051 -7.667 520 HD13 ILE 72 3HD1 ILE 72 11.974 4.335 -8.012 521 HA PRO 73 HA PRO 73 8.616 8.793 -1.521 522 HB2 PRO 73 1HB PRO 73 10.439 8.126 0.378 523 HB3 PRO 73 2HB PRO 73 8.885 7.301 0.205 524 HG2 PRO 73 1HG PRO 73 11.592 6.467 -0.764 525 HG3 PRO 73 2HG PRO 73 10.331 5.490 0.011 526 HD2 PRO 73 1HD PRO 73 10.742 5.481 -2.666 527 HD3 PRO 73 2HD PRO 73 9.135 5.254 -1.946 528 H HIS 74 H HIS 74 9.483 10.339 -3.060 529 HA HIS 74 HA HIS 74 12.070 10.923 -3.659 530 HB2 HIS 74 1HB HIS 74 9.692 12.688 -3.187 531 HB3 HIS 74 2HB HIS 74 11.261 13.408 -3.539 532 HD1 HIS 74 1HD HIS 74 9.217 10.587 -5.094 533 HD2 HIS 74 2HD HIS 74 11.455 13.916 -6.174 534 HE1 HIS 74 1HE HIS 74 9.119 10.677 -7.605 535 HE2 HIS 74 2HE HIS 74 10.550 12.650 -8.240 536 H GLU 75 H GLU 75 10.424 11.520 -0.624 537 HA GLU 75 HA GLU 75 12.991 12.400 0.519 538 HB2 GLU 75 1HB GLU 75 11.863 14.386 0.693 539 HB3 GLU 75 2HB GLU 75 10.287 13.610 0.752 540 HG2 GLU 75 1HG GLU 75 10.497 13.110 3.036 541 HG3 GLU 75 2HG GLU 75 12.227 13.450 3.032 542 H ASN 76 H ASN 76 13.498 11.653 2.571 543 HA ASN 76 HA ASN 76 12.477 9.120 3.277 544 HB2 ASN 76 1HB ASN 76 14.363 11.062 4.564 545 HB3 ASN 76 2HB ASN 76 13.802 9.663 5.475 546 HD21 ASN 76 1HD2 ASN 76 13.988 7.553 4.242 547 HD22 ASN 76 2HD2 ASN 76 15.458 7.305 3.368 548 H GLY 77 H GLY 77 11.607 8.569 5.460 549 HA2 GLY 77 1HA GLY 77 10.430 9.419 7.443 550 HA3 GLY 77 2HA GLY 77 9.739 10.656 6.404 551 H VAL 78 H VAL 78 8.206 8.968 8.040 552 HA VAL 78 HA VAL 78 7.149 6.772 6.556 553 HB VAL 78 HB VAL 78 5.932 8.260 8.887 554 HG11 VAL 78 1HG1 VAL 78 5.060 5.639 8.940 555 HG12 VAL 78 2HG1 VAL 78 4.121 7.041 8.424 556 HG13 VAL 78 3HG1 VAL 78 4.986 6.070 7.232 557 HG21 VAL 78 1HG2 VAL 78 6.851 6.486 10.270 558 HG22 VAL 78 2HG2 VAL 78 7.568 5.724 8.851 559 HG23 VAL 78 3HG2 VAL 78 8.141 7.303 9.388 560 H HIS 79 H HIS 79 5.830 6.862 4.872 561 HA HIS 79 HA HIS 79 4.354 9.334 4.342 562 HB2 HIS 79 1HB HIS 79 4.882 6.946 2.561 563 HB3 HIS 79 2HB HIS 79 4.044 8.416 2.071 564 HD1 HIS 79 1HD HIS 79 7.075 8.718 4.214 565 HD2 HIS 79 2HD HIS 79 6.067 8.971 0.191 566 HE1 HIS 79 1HE HIS 79 9.071 9.751 3.084 567 HE2 HIS 79 2HE HIS 79 8.404 9.972 0.665 568 H SER 80 H SER 80 2.134 9.200 3.565 569 HA SER 80 HA SER 80 0.661 7.069 4.957 570 HB2 SER 80 1HB SER 80 0.092 9.948 4.409 571 HB3 SER 80 2HB SER 80 -1.274 8.837 4.517 572 HG SER 80 HG SER 80 -0.906 9.558 6.564 573 H ILE 81 H ILE 81 -0.036 5.500 3.677 574 HA ILE 81 HA ILE 81 -0.526 6.021 0.851 575 HB ILE 81 HB ILE 81 -0.835 3.342 2.170 576 HG12 ILE 81 1HG1 ILE 81 1.354 4.353 2.847 577 HG13 ILE 81 2HG1 ILE 81 1.514 2.892 1.878 578 HG21 ILE 81 1HG2 ILE 81 -1.541 3.222 -0.033 579 HG22 ILE 81 2HG2 ILE 81 -0.315 4.358 -0.594 580 HG23 ILE 81 3HG2 ILE 81 0.145 2.716 -0.144 581 HD11 ILE 81 1HD1 ILE 81 1.761 4.480 -0.114 582 HD12 ILE 81 2HD1 ILE 81 2.041 5.730 1.099 583 HD13 ILE 81 3HD1 ILE 81 3.112 4.332 1.010 584 H ASP 82 H ASP 82 -2.479 6.784 0.367 585 HA ASP 82 HA ASP 82 -4.801 6.020 1.944 586 HB2 ASP 82 1HB ASP 82 -4.340 8.033 -0.249 587 HB3 ASP 82 2HB ASP 82 -5.961 7.636 0.314 588 H VAL 83 H VAL 83 -5.712 4.131 1.468 589 HA VAL 83 HA VAL 83 -5.978 3.380 -1.371 590 HB VAL 83 HB VAL 83 -5.935 1.558 1.039 591 HG11 VAL 83 1HG1 VAL 83 -7.171 1.110 -1.361 592 HG12 VAL 83 2HG1 VAL 83 -5.579 0.394 -1.617 593 HG13 VAL 83 3HG1 VAL 83 -6.581 -0.141 -0.268 594 HG21 VAL 83 1HG2 VAL 83 -3.723 2.160 0.799 595 HG22 VAL 83 2HG2 VAL 83 -3.816 0.749 -0.256 596 HG23 VAL 83 3HG2 VAL 83 -3.858 2.371 -0.947 597 H LYS 84 H LYS 84 -7.961 3.804 -2.079 598 HA LYS 84 HA LYS 84 -10.235 3.340 -0.265 599 HB2 LYS 84 1HB LYS 84 -9.893 5.242 -2.579 600 HB3 LYS 84 2HB LYS 84 -11.467 4.868 -1.891 601 HG2 LYS 84 1HG LYS 84 -10.733 5.717 0.273 602 HG3 LYS 84 2HG LYS 84 -9.144 6.078 -0.404 603 HD2 LYS 84 1HD LYS 84 -10.178 7.642 -1.983 604 HD3 LYS 84 2HD LYS 84 -11.764 7.283 -1.297 605 HE2 LYS 84 1HE LYS 84 -10.964 9.339 -0.352 606 HE3 LYS 84 2HE LYS 84 -10.937 8.096 0.898 607 HZ1 LYS 84 1HZ LYS 84 -8.581 7.842 0.595 608 HZ2 LYS 84 2HZ LYS 84 -8.923 9.475 0.877 609 HZ3 LYS 84 3HZ LYS 84 -8.575 8.942 -0.691 610 H PHE 85 H PHE 85 -11.922 2.068 -0.911 611 HA PHE 85 HA PHE 85 -11.728 0.827 -3.572 612 HB2 PHE 85 1HB PHE 85 -10.889 -0.685 -1.750 613 HB3 PHE 85 2HB PHE 85 -12.502 -0.641 -1.046 614 HD1 PHE 85 1HD PHE 85 -11.164 -1.078 -4.506 615 HD2 PHE 85 2HD PHE 85 -13.639 -2.595 -1.392 616 HE1 PHE 85 1HE PHE 85 -11.843 -2.944 -5.959 617 HE2 PHE 85 2HE PHE 85 -14.321 -4.464 -2.840 618 HZ PHE 85 HZ PHE 85 -13.422 -4.641 -5.126 619 H ASN 86 H ASN 86 -13.473 1.346 -4.699 620 HA ASN 86 HA ASN 86 -15.601 1.973 -5.232 621 HB2 ASN 86 1HB ASN 86 -15.894 -0.328 -3.353 622 HB3 ASN 86 2HB ASN 86 -17.347 0.548 -3.824 623 HD21 ASN 86 1HD2 ASN 86 -16.745 -2.157 -4.429 624 HD22 ASN 86 2HD2 ASN 86 -16.646 -2.297 -6.148 625 H GLY 87 H GLY 87 -14.559 3.881 -3.695 626 HA2 GLY 87 1HA GLY 87 -15.110 5.657 -2.350 627 HA3 GLY 87 2HA GLY 87 -16.783 5.172 -2.585 628 H ALA 88 H ALA 88 -13.947 3.880 -0.845 629 HA ALA 88 HA ALA 88 -15.141 4.220 1.711 630 HB1 ALA 88 1HB ALA 88 -14.849 1.339 1.350 631 HB2 ALA 88 2HB ALA 88 -16.130 2.261 2.137 632 HB3 ALA 88 3HB ALA 88 -16.147 2.044 0.387 633 H HIS 89 H HIS 89 -13.638 4.065 3.304 634 HA HIS 89 HA HIS 89 -10.900 3.673 2.501 635 HB2 HIS 89 1HB HIS 89 -12.303 4.685 4.922 636 HB3 HIS 89 2HB HIS 89 -10.675 4.049 5.140 637 HD1 HIS 89 1HD HIS 89 -8.732 5.425 4.205 638 HD2 HIS 89 2HD HIS 89 -12.467 7.056 3.396 639 HE1 HIS 89 1HE HIS 89 -8.281 7.747 3.350 640 HE2 HIS 89 2HE HIS 89 -10.559 8.744 2.947 641 H ILE 90 H ILE 90 -9.782 1.847 2.637 642 HA ILE 90 HA ILE 90 -10.938 -0.555 3.598 643 HB ILE 90 HB ILE 90 -8.861 -1.627 3.052 644 HG12 ILE 90 1HG1 ILE 90 -7.544 0.996 2.447 645 HG13 ILE 90 2HG1 ILE 90 -7.539 0.385 4.097 646 HG21 ILE 90 1HG2 ILE 90 -9.400 0.572 1.060 647 HG22 ILE 90 2HG2 ILE 90 -8.601 -0.965 0.731 648 HG23 ILE 90 3HG2 ILE 90 -10.304 -0.937 1.189 649 HD11 ILE 90 1HD1 ILE 90 -6.751 -1.696 2.306 650 HD12 ILE 90 2HD1 ILE 90 -5.778 -0.253 2.017 651 HD13 ILE 90 3HD1 ILE 90 -5.852 -0.959 3.632 652 HA PRO 91 HA PRO 91 -9.820 -0.576 7.847 653 HB2 PRO 91 1HB PRO 91 -9.493 -3.239 8.261 654 HB3 PRO 91 2HB PRO 91 -11.077 -2.491 8.033 655 HG2 PRO 91 1HG PRO 91 -9.374 -3.958 6.056 656 HG3 PRO 91 2HG PRO 91 -11.124 -4.066 6.323 657 HD2 PRO 91 1HD PRO 91 -10.045 -2.622 4.303 658 HD3 PRO 91 2HD PRO 91 -11.554 -2.153 5.112 659 H GLY 92 H GLY 92 -7.849 0.382 8.136 660 HA2 GLY 92 1HA GLY 92 -5.687 -0.373 9.171 661 HA3 GLY 92 2HA GLY 92 -5.472 -1.320 7.706 662 H SER 93 H SER 93 -6.847 1.168 6.379 663 HA SER 93 HA SER 93 -4.314 2.464 5.763 664 HB2 SER 93 1HB SER 93 -5.368 2.154 3.754 665 HB3 SER 93 2HB SER 93 -6.980 2.268 4.460 666 HG SER 93 HG SER 93 -6.978 4.360 4.141 667 HA PRO 94 HA PRO 94 -3.936 4.450 4.528 668 HB2 PRO 94 1HB PRO 94 -2.010 6.176 5.357 669 HB3 PRO 94 2HB PRO 94 -3.508 6.707 4.583 670 HG2 PRO 94 1HG PRO 94 -2.801 6.636 7.491 671 HG3 PRO 94 2HG PRO 94 -3.633 7.904 6.572 672 HD2 PRO 94 1HD PRO 94 -4.955 6.125 8.128 673 HD3 PRO 94 2HD PRO 94 -5.657 6.802 6.644 674 H PHE 95 H PHE 95 -2.069 3.281 4.192 675 HA PHE 95 HA PHE 95 -1.140 1.711 6.431 676 HB2 PHE 95 1HB PHE 95 -0.600 1.654 3.469 677 HB3 PHE 95 2HB PHE 95 0.318 0.655 4.592 678 HD1 PHE 95 1HD PHE 95 -1.425 -0.494 6.411 679 HD2 PHE 95 2HD PHE 95 -2.223 0.503 2.351 680 HE1 PHE 95 1HE PHE 95 -3.198 -2.199 6.344 681 HE2 PHE 95 2HE PHE 95 -3.998 -1.199 2.278 682 HZ PHE 95 HZ PHE 95 -4.488 -2.553 4.276 683 H LYS 96 H LYS 96 0.245 2.699 7.767 684 HA LYS 96 HA LYS 96 2.125 4.668 6.917 685 HB2 LYS 96 1HB LYS 96 1.856 3.141 9.511 686 HB3 LYS 96 2HB LYS 96 3.001 4.452 9.256 687 HG2 LYS 96 1HG LYS 96 0.049 4.813 8.857 688 HG3 LYS 96 2HG LYS 96 0.825 5.021 10.429 689 HD2 LYS 96 1HD LYS 96 1.983 6.440 8.083 690 HD3 LYS 96 2HD LYS 96 0.480 7.055 8.775 691 HE2 LYS 96 1HE LYS 96 1.631 7.034 11.012 692 HE3 LYS 96 2HE LYS 96 3.131 6.684 10.155 693 HZ1 LYS 96 1HZ LYS 96 1.789 9.170 10.491 694 HZ2 LYS 96 2HZ LYS 96 2.045 8.841 8.852 695 HZ3 LYS 96 3HZ LYS 96 3.354 8.866 9.924 696 H ILE 97 H ILE 97 3.798 4.140 5.667 697 HA ILE 97 HA ILE 97 5.261 1.653 6.256 698 HB ILE 97 HB ILE 97 6.203 1.939 3.929 699 HG12 ILE 97 1HG1 ILE 97 3.840 3.703 3.384 700 HG13 ILE 97 2HG1 ILE 97 5.355 4.415 3.927 701 HG21 ILE 97 1HG2 ILE 97 4.668 0.238 4.048 702 HG22 ILE 97 2HG2 ILE 97 3.360 1.307 4.553 703 HG23 ILE 97 3HG2 ILE 97 3.892 1.298 2.871 704 HD11 ILE 97 1HD1 ILE 97 6.485 3.325 2.010 705 HD12 ILE 97 2HD1 ILE 97 4.905 2.785 1.442 706 HD13 ILE 97 3HD1 ILE 97 5.264 4.509 1.544 707 H ARG 98 H ARG 98 7.289 1.779 6.972 708 HA ARG 98 HA ARG 98 8.476 4.360 7.432 709 HB2 ARG 98 1HB ARG 98 8.605 2.466 9.061 710 HB3 ARG 98 2HB ARG 98 9.659 1.625 7.932 711 HG2 ARG 98 1HG ARG 98 10.345 4.367 8.912 712 HG3 ARG 98 2HG ARG 98 10.710 2.935 9.878 713 HD2 ARG 98 1HD ARG 98 11.726 2.100 7.579 714 HD3 ARG 98 2HD ARG 98 11.858 3.833 7.287 715 HE ARG 98 HE ARG 98 13.592 3.896 8.768 716 HH11 ARG 98 1HH1 ARG 98 11.745 0.999 9.335 717 HH12 ARG 98 2HH1 ARG 98 12.852 0.367 10.508 718 HH21 ARG 98 1HH2 ARG 98 15.056 3.074 10.312 719 HH22 ARG 98 2HH2 ARG 98 14.734 1.549 11.064 720 H VAL 99 H VAL 99 10.136 5.300 6.373 721 HA VAL 99 HA VAL 99 11.423 3.778 4.204 722 HB VAL 99 HB VAL 99 10.419 6.622 4.083 723 HG11 VAL 99 1HG1 VAL 99 11.306 6.224 1.612 724 HG12 VAL 99 2HG1 VAL 99 12.336 6.886 2.883 725 HG13 VAL 99 3HG1 VAL 99 12.441 5.176 2.463 726 HG21 VAL 99 1HG2 VAL 99 8.599 5.674 3.226 727 HG22 VAL 99 2HG2 VAL 99 9.584 5.151 1.859 728 HG23 VAL 99 3HG2 VAL 99 9.354 4.080 3.242 729 H GLY 100 H GLY 100 13.463 3.507 4.864 730 HA2 GLY 100 1HA GLY 100 15.575 4.927 4.804 731 HA3 GLY 100 2HA GLY 100 14.828 5.791 6.139 732 H GLU 101 H GLU 101 15.342 2.361 5.296 733 HA GLU 101 HA GLU 101 16.004 1.811 8.079 734 HB2 GLU 101 1HB GLU 101 14.477 0.371 6.555 735 HB3 GLU 101 2HB GLU 101 15.983 -0.233 5.879 736 HG2 GLU 101 1HG GLU 101 15.219 -0.358 8.787 737 HG3 GLU 101 2HG GLU 101 15.071 -1.685 7.635 738 H GLN 102 H GLN 102 17.996 1.357 8.823 739 HA GLN 102 HA GLN 102 20.246 1.884 7.113 740 HB2 GLN 102 1HB GLN 102 20.071 2.590 9.528 741 HB3 GLN 102 2HB GLN 102 20.292 0.902 9.968 742 HG2 GLN 102 1HG GLN 102 22.380 2.096 10.146 743 HG3 GLN 102 2HG GLN 102 22.469 0.901 8.853 744 HE21 GLN 102 1HE2 GLN 102 22.360 4.280 9.638 745 HE22 GLN 102 2HE2 GLN 102 22.820 4.867 8.080 746 H SER 103 H SER 103 21.349 0.443 5.974 747 HA SER 103 HA SER 103 20.764 -2.125 5.487 748 HB2 SER 103 1HB SER 103 22.636 -0.722 4.462 749 HB3 SER 103 2HB SER 103 23.650 -1.292 5.787 750 HG SER 103 HG SER 103 22.693 -3.465 4.947 751 H GLN 104 H GLN 104 23.017 -1.107 8.049 752 HA GLN 104 HA GLN 104 22.903 -3.806 9.180 753 HB2 GLN 104 1HB GLN 104 24.770 -1.483 9.528 754 HB3 GLN 104 2HB GLN 104 24.714 -2.765 10.730 755 HG2 GLN 104 1HG GLN 104 25.181 -3.281 7.808 756 HG3 GLN 104 2HG GLN 104 26.484 -2.978 8.956 757 HE21 GLN 104 1HE2 GLN 104 26.743 -4.459 10.721 758 HE22 GLN 104 2HE2 GLN 104 26.244 -6.104 10.548 759 H ALA 105 H ALA 105 21.303 -4.131 10.574 760 HA ALA 105 HA ALA 105 20.643 -1.973 12.473 761 HB1 ALA 105 1HB ALA 105 18.647 -2.146 11.418 762 HB2 ALA 105 2HB ALA 105 18.930 -3.812 10.914 763 HB3 ALA 105 3HB ALA 105 18.427 -3.465 12.569 764 H GLY 106 H GLY 106 22.739 -3.653 13.073 765 HA2 GLY 106 1HA GLY 106 21.936 -4.697 15.584 766 HA3 GLY 106 2HA GLY 106 22.166 -6.008 14.436 767 H SER 107 H SER 107 23.958 -6.919 15.350 768 HA SER 107 HA SER 107 26.433 -5.387 15.063 769 HB2 SER 107 1HB SER 107 25.471 -5.442 17.507 770 HB3 SER 107 2HB SER 107 26.106 -7.087 17.511 771 HG SER 107 HG SER 107 27.746 -4.985 16.639 772 H GLY 108 H GLY 108 28.263 -6.631 14.630 773 HA2 GLY 108 1HA GLY 108 27.728 -9.159 13.386 774 HA3 GLY 108 2HA GLY 108 29.293 -8.368 13.510 775 HA PRO 109 HA PRO 109 29.419 -12.118 16.204 776 HB2 PRO 109 1HB PRO 109 31.912 -12.864 15.431 777 HB3 PRO 109 2HB PRO 109 30.454 -13.330 14.549 778 HG2 PRO 109 1HG PRO 109 32.396 -11.127 13.969 779 HG3 PRO 109 2HG PRO 109 31.636 -12.272 12.848 780 HD2 PRO 109 1HD PRO 109 30.755 -9.730 13.153 781 HD3 PRO 109 2HD PRO 109 29.666 -11.078 12.765 782 H SER 110 H SER 110 29.487 -10.651 17.997 783 HA SER 110 HA SER 110 32.066 -9.479 18.678 784 HB2 SER 110 1HB SER 110 30.898 -8.339 20.459 785 HB3 SER 110 2HB SER 110 29.936 -8.196 18.987 786 HG SER 110 HG SER 110 28.548 -9.748 19.756 787 H SER 111 H SER 111 32.737 -9.689 21.040 788 HA SER 111 HA SER 111 32.228 -12.389 22.074 789 HB2 SER 111 1HB SER 111 34.841 -11.214 21.247 790 HB3 SER 111 2HB SER 111 34.817 -12.235 22.684 791 HG SER 111 HG SER 111 33.592 -13.740 21.217 792 H GLY 112 H GLY 112 31.875 -12.448 24.206 793 HA2 GLY 112 1HA GLY 112 33.096 -10.577 26.019 794 HA3 GLY 112 2HA GLY 112 31.383 -10.272 25.773 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -40.006 -6.893 8.546 2 HA2 GLY 1 1HA GLY 1 -41.294 -8.601 9.767 3 HA3 GLY 1 2HA GLY 1 -41.263 -9.556 8.292 4 H SER 2 H SER 2 -39.141 -10.316 7.544 5 HA SER 2 HA SER 2 -37.744 -11.639 9.578 6 HB2 SER 2 1HB SER 2 -36.311 -12.465 7.877 7 HB3 SER 2 2HB SER 2 -37.879 -12.249 7.099 8 HG SER 2 HG SER 2 -35.537 -10.710 6.845 9 H SER 3 H SER 3 -35.400 -11.461 10.029 10 HA SER 3 HA SER 3 -34.232 -8.820 9.701 11 HB2 SER 3 1HB SER 3 -34.774 -9.995 12.439 12 HB3 SER 3 2HB SER 3 -33.824 -8.543 12.123 13 HG SER 3 HG SER 3 -35.909 -7.925 12.629 14 H GLY 4 H GLY 4 -31.973 -8.742 10.262 15 HA2 GLY 4 1HA GLY 4 -30.555 -11.046 11.142 16 HA3 GLY 4 2HA GLY 4 -30.489 -10.912 9.391 17 H SER 5 H SER 5 -28.186 -10.675 9.642 18 HA SER 5 HA SER 5 -27.030 -8.526 11.079 19 HB2 SER 5 1HB SER 5 -25.978 -10.216 8.803 20 HB3 SER 5 2HB SER 5 -25.004 -9.022 9.660 21 HG SER 5 HG SER 5 -24.692 -11.034 10.600 22 H SER 6 H SER 6 -25.599 -6.881 9.867 23 HA SER 6 HA SER 6 -26.697 -5.905 7.376 24 HB2 SER 6 1HB SER 6 -28.215 -5.004 9.186 25 HB3 SER 6 2HB SER 6 -26.827 -4.112 9.808 26 HG SER 6 HG SER 6 -26.687 -3.092 7.747 27 H GLY 7 H GLY 7 -25.430 -4.217 6.426 28 HA2 GLY 7 1HA GLY 7 -23.551 -2.755 6.387 29 HA3 GLY 7 2HA GLY 7 -22.888 -3.618 7.767 30 H SER 8 H SER 8 -23.208 -3.537 4.312 31 HA SER 8 HA SER 8 -21.580 -5.957 4.036 32 HB2 SER 8 1HB SER 8 -22.125 -5.794 1.627 33 HB3 SER 8 2HB SER 8 -23.575 -5.845 2.629 34 HG SER 8 HG SER 8 -22.551 -3.330 2.044 35 H ASP 9 H ASP 9 -19.506 -5.387 4.459 36 HA ASP 9 HA ASP 9 -18.363 -3.211 2.831 37 HB2 ASP 9 1HB ASP 9 -17.314 -4.202 5.487 38 HB3 ASP 9 2HB ASP 9 -16.744 -2.808 4.575 39 H ASP 10 H ASP 10 -17.550 -4.279 1.109 40 HA ASP 10 HA ASP 10 -16.197 -6.809 1.389 41 HB2 ASP 10 1HB ASP 10 -16.229 -5.061 -1.069 42 HB3 ASP 10 2HB ASP 10 -16.018 -6.808 -0.981 43 H ALA 11 H ALA 11 -15.326 -3.528 1.591 44 HA ALA 11 HA ALA 11 -12.671 -3.634 0.630 45 HB1 ALA 11 1HB ALA 11 -12.924 -1.733 2.756 46 HB2 ALA 11 2HB ALA 11 -12.778 -1.453 1.020 47 HB3 ALA 11 3HB ALA 11 -14.369 -1.691 1.744 48 H ARG 12 H ARG 12 -14.127 -4.883 3.453 49 HA ARG 12 HA ARG 12 -11.859 -4.796 5.176 50 HB2 ARG 12 1HB ARG 12 -14.236 -6.661 5.273 51 HB3 ARG 12 2HB ARG 12 -13.110 -6.339 6.585 52 HG2 ARG 12 1HG ARG 12 -14.930 -4.293 5.334 53 HG3 ARG 12 2HG ARG 12 -15.250 -5.155 6.840 54 HD2 ARG 12 1HD ARG 12 -12.853 -4.219 7.457 55 HD3 ARG 12 2HD ARG 12 -13.283 -3.003 6.254 56 HE ARG 12 HE ARG 12 -14.616 -2.064 7.835 57 HH11 ARG 12 1HH1 ARG 12 -14.331 -5.463 8.535 58 HH12 ARG 12 2HH1 ARG 12 -15.296 -5.381 9.972 59 HH21 ARG 12 1HH2 ARG 12 -15.889 -1.944 9.724 60 HH22 ARG 12 2HH2 ARG 12 -16.183 -3.379 10.646 61 H ARG 13 H ARG 13 -12.977 -6.973 2.699 62 HA ARG 13 HA ARG 13 -11.318 -9.177 3.438 63 HB2 ARG 13 1HB ARG 13 -12.559 -8.566 0.750 64 HB3 ARG 13 2HB ARG 13 -11.943 -10.123 1.287 65 HG2 ARG 13 1HG ARG 13 -13.680 -10.294 2.944 66 HG3 ARG 13 2HG ARG 13 -14.251 -8.669 2.560 67 HD2 ARG 13 1HD ARG 13 -15.090 -9.325 0.485 68 HD3 ARG 13 2HD ARG 13 -14.116 -10.794 0.452 69 HE ARG 13 HE ARG 13 -15.971 -10.815 2.610 70 HH11 ARG 13 1HH1 ARG 13 -15.690 -11.289 -0.828 71 HH12 ARG 13 2HH1 ARG 13 -17.048 -12.360 -0.923 72 HH21 ARG 13 1HH2 ARG 13 -17.761 -12.225 2.497 73 HH22 ARG 13 2HH2 ARG 13 -18.226 -12.891 0.969 74 H LEU 14 H LEU 14 -10.699 -6.193 1.981 75 HA LEU 14 HA LEU 14 -8.581 -6.959 0.234 76 HB2 LEU 14 1HB LEU 14 -9.015 -4.273 1.523 77 HB3 LEU 14 2HB LEU 14 -8.101 -4.618 0.056 78 HG LEU 14 HG LEU 14 -11.067 -5.084 0.261 79 HD11 LEU 14 1HD1 LEU 14 -10.760 -2.758 0.724 80 HD12 LEU 14 2HD1 LEU 14 -11.293 -2.921 -0.949 81 HD13 LEU 14 3HD1 LEU 14 -9.597 -2.597 -0.593 82 HD21 LEU 14 1HD2 LEU 14 -9.034 -5.510 -1.739 83 HD22 LEU 14 2HD2 LEU 14 -10.283 -4.414 -2.329 84 HD23 LEU 14 3HD2 LEU 14 -10.724 -6.013 -1.729 85 H THR 15 H THR 15 -6.372 -6.886 0.544 86 HA THR 15 HA THR 15 -5.241 -6.088 3.072 87 HB THR 15 HB THR 15 -4.180 -8.329 3.490 88 HG1 THR 15 1HG THR 15 -4.485 -9.489 1.666 89 HG21 THR 15 1HG2 THR 15 -7.189 -8.422 3.648 90 HG22 THR 15 2HG2 THR 15 -6.193 -7.439 4.722 91 HG23 THR 15 3HG2 THR 15 -6.025 -9.195 4.723 92 H VAL 16 H VAL 16 -2.838 -6.496 3.105 93 HA VAL 16 HA VAL 16 -1.677 -6.698 0.420 94 HB VAL 16 HB VAL 16 -0.896 -4.505 2.340 95 HG11 VAL 16 1HG1 VAL 16 0.806 -5.352 0.709 96 HG12 VAL 16 2HG1 VAL 16 -0.263 -4.815 -0.589 97 HG13 VAL 16 3HG1 VAL 16 0.411 -3.641 0.543 98 HG21 VAL 16 1HG2 VAL 16 -3.257 -4.379 1.315 99 HG22 VAL 16 2HG2 VAL 16 -2.203 -2.972 1.169 100 HG23 VAL 16 3HG2 VAL 16 -2.418 -4.058 -0.203 101 H THR 17 H THR 17 0.128 -7.883 0.364 102 HA THR 17 HA THR 17 1.433 -8.524 2.930 103 HB THR 17 HB THR 17 1.342 -10.284 0.474 104 HG1 THR 17 1HG THR 17 -0.025 -10.855 2.871 105 HG21 THR 17 1HG2 THR 17 1.905 -11.375 3.159 106 HG22 THR 17 2HG2 THR 17 3.162 -10.350 2.466 107 HG23 THR 17 3HG2 THR 17 2.614 -11.784 1.597 108 H SER 18 H SER 18 2.175 -8.647 -0.562 109 HA SER 18 HA SER 18 4.843 -8.683 -0.620 110 HB2 SER 18 1HB SER 18 3.379 -8.408 -2.619 111 HB3 SER 18 2HB SER 18 3.234 -6.692 -2.239 112 HG SER 18 HG SER 18 5.447 -8.135 -3.177 113 H LEU 19 H LEU 19 2.924 -5.828 0.195 114 HA LEU 19 HA LEU 19 4.894 -3.903 0.317 115 HB2 LEU 19 1HB LEU 19 2.586 -3.332 0.604 116 HB3 LEU 19 2HB LEU 19 2.480 -4.300 2.073 117 HG LEU 19 HG LEU 19 4.027 -2.705 3.177 118 HD11 LEU 19 1HD1 LEU 19 3.912 -0.409 1.759 119 HD12 LEU 19 2HD1 LEU 19 4.073 -1.589 0.458 120 HD13 LEU 19 3HD1 LEU 19 5.282 -1.519 1.740 121 HD21 LEU 19 1HD2 LEU 19 2.171 -1.744 3.918 122 HD22 LEU 19 2HD2 LEU 19 1.300 -2.374 2.520 123 HD23 LEU 19 3HD2 LEU 19 2.054 -0.781 2.445 124 H GLN 20 H GLN 20 6.408 -3.257 1.793 125 HA GLN 20 HA GLN 20 6.973 -5.162 3.961 126 HB2 GLN 20 1HB GLN 20 8.659 -4.658 2.043 127 HB3 GLN 20 2HB GLN 20 8.958 -3.165 2.922 128 HG2 GLN 20 1HG GLN 20 9.955 -4.232 4.679 129 HG3 GLN 20 2HG GLN 20 9.076 -5.735 4.408 130 HE21 GLN 20 1HE2 GLN 20 11.525 -3.652 2.927 131 HE22 GLN 20 2HE2 GLN 20 12.466 -4.937 2.259 132 H GLU 21 H GLU 21 5.837 -4.343 5.663 133 HA GLU 21 HA GLU 21 5.299 -1.758 6.344 134 HB2 GLU 21 1HB GLU 21 5.904 -4.124 8.110 135 HB3 GLU 21 2HB GLU 21 5.375 -2.578 8.759 136 HG2 GLU 21 1HG GLU 21 3.284 -2.729 7.655 137 HG3 GLU 21 2HG GLU 21 3.817 -4.110 6.698 138 H THR 22 H THR 22 8.252 -3.567 7.081 139 HA THR 22 HA THR 22 9.619 -1.013 7.546 140 HB THR 22 HB THR 22 10.871 -1.972 9.441 141 HG1 THR 22 1HG THR 22 10.111 -3.942 10.346 142 HG21 THR 22 1HG2 THR 22 7.891 -1.729 9.573 143 HG22 THR 22 2HG2 THR 22 9.131 -0.646 10.205 144 HG23 THR 22 3HG2 THR 22 8.803 -2.179 11.013 145 H GLY 23 H GLY 23 11.339 -0.861 6.270 146 HA2 GLY 23 1HA GLY 23 13.535 -2.272 5.980 147 HA3 GLY 23 2HA GLY 23 12.434 -3.300 5.075 148 H LEU 24 H LEU 24 10.943 -0.811 4.215 149 HA LEU 24 HA LEU 24 12.169 -0.489 1.715 150 HB2 LEU 24 1HB LEU 24 10.200 1.322 3.105 151 HB3 LEU 24 2HB LEU 24 10.595 1.367 1.388 152 HG LEU 24 HG LEU 24 9.076 -0.747 2.895 153 HD11 LEU 24 1HD1 LEU 24 8.261 1.515 1.551 154 HD12 LEU 24 2HD1 LEU 24 7.261 0.115 1.934 155 HD13 LEU 24 3HD1 LEU 24 8.049 0.232 0.360 156 HD21 LEU 24 1HD2 LEU 24 10.665 -0.972 0.424 157 HD22 LEU 24 2HD2 LEU 24 9.026 -1.618 0.346 158 HD23 LEU 24 3HD2 LEU 24 10.152 -2.215 1.565 159 H LYS 25 H LYS 25 13.391 1.157 0.818 160 HA LYS 25 HA LYS 25 14.679 2.964 2.757 161 HB2 LYS 25 1HB LYS 25 15.805 1.742 0.232 162 HB3 LYS 25 2HB LYS 25 16.636 2.939 1.217 163 HG2 LYS 25 1HG LYS 25 16.915 1.448 2.998 164 HG3 LYS 25 2HG LYS 25 15.704 0.331 2.365 165 HD2 LYS 25 1HD LYS 25 18.194 0.941 0.812 166 HD3 LYS 25 2HD LYS 25 18.206 -0.262 2.104 167 HE2 LYS 25 1HE LYS 25 16.093 -1.173 0.845 168 HE3 LYS 25 2HE LYS 25 16.785 -0.298 -0.520 169 HZ1 LYS 25 1HZ LYS 25 18.578 -2.032 0.991 170 HZ2 LYS 25 2HZ LYS 25 18.524 -1.716 -0.669 171 HZ3 LYS 25 3HZ LYS 25 17.418 -2.792 0.023 172 H VAL 26 H VAL 26 15.521 5.005 1.794 173 HA VAL 26 HA VAL 26 13.433 6.317 0.343 174 HB VAL 26 HB VAL 26 14.995 7.314 2.149 175 HG11 VAL 26 1HG1 VAL 26 17.105 7.907 1.642 176 HG12 VAL 26 2HG1 VAL 26 16.960 6.659 0.402 177 HG13 VAL 26 3HG1 VAL 26 16.692 8.353 -0.013 178 HG21 VAL 26 1HG2 VAL 26 13.857 8.547 -0.276 179 HG22 VAL 26 2HG2 VAL 26 13.553 8.897 1.425 180 HG23 VAL 26 3HG2 VAL 26 14.993 9.540 0.636 181 H ASN 27 H ASN 27 13.510 7.233 -1.711 182 HA ASN 27 HA ASN 27 14.016 7.361 -3.924 183 HB2 ASN 27 1HB ASN 27 16.705 7.219 -2.639 184 HB3 ASN 27 2HB ASN 27 16.612 7.025 -4.387 185 HD21 ASN 27 1HD2 ASN 27 15.628 9.147 -1.743 186 HD22 ASN 27 2HD2 ASN 27 15.691 10.611 -2.658 187 H GLN 28 H GLN 28 13.022 4.944 -3.075 188 HA GLN 28 HA GLN 28 14.357 3.099 -4.926 189 HB2 GLN 28 1HB GLN 28 13.565 2.576 -2.079 190 HB3 GLN 28 2HB GLN 28 13.615 1.261 -3.246 191 HG2 GLN 28 1HG GLN 28 15.975 3.058 -2.913 192 HG3 GLN 28 2HG GLN 28 15.680 1.753 -1.765 193 HE21 GLN 28 1HE2 GLN 28 15.855 -0.377 -2.445 194 HE22 GLN 28 2HE2 GLN 28 16.629 -0.812 -3.926 195 HA PRO 29 HA PRO 29 10.266 2.755 -6.554 196 HB2 PRO 29 1HB PRO 29 10.689 0.594 -8.142 197 HB3 PRO 29 2HB PRO 29 11.278 2.211 -8.544 198 HG2 PRO 29 1HG PRO 29 12.749 -0.089 -7.317 199 HG3 PRO 29 2HG PRO 29 13.280 1.028 -8.587 200 HD2 PRO 29 1HD PRO 29 14.052 1.285 -6.004 201 HD3 PRO 29 2HD PRO 29 13.828 2.682 -7.077 202 H ALA 30 H ALA 30 9.320 2.153 -4.497 203 HA ALA 30 HA ALA 30 9.223 -0.659 -3.803 204 HB1 ALA 30 1HB ALA 30 7.372 0.652 -2.215 205 HB2 ALA 30 2HB ALA 30 9.044 0.281 -1.793 206 HB3 ALA 30 3HB ALA 30 8.637 1.852 -2.482 207 H SER 31 H SER 31 7.636 -2.049 -4.288 208 HA SER 31 HA SER 31 5.039 -1.050 -5.169 209 HB2 SER 31 1HB SER 31 5.067 -1.999 -7.280 210 HB3 SER 31 2HB SER 31 6.747 -1.486 -7.132 211 HG SER 31 HG SER 31 5.695 -4.086 -6.708 212 H PHE 32 H PHE 32 3.349 -2.474 -4.844 213 HA PHE 32 HA PHE 32 3.938 -5.159 -3.873 214 HB2 PHE 32 1HB PHE 32 2.181 -4.594 -1.979 215 HB3 PHE 32 2HB PHE 32 3.894 -4.255 -1.756 216 HD1 PHE 32 2HD PHE 32 4.729 -1.921 -2.128 217 HD2 PHE 32 1HD PHE 32 0.585 -2.875 -1.952 218 HE1 PHE 32 2HE PHE 32 4.206 0.445 -1.704 219 HE2 PHE 32 1HE PHE 32 0.055 -0.510 -1.528 220 HZ PHE 32 HZ PHE 32 1.866 1.153 -1.403 221 H ALA 33 H ALA 33 1.694 -6.223 -3.257 222 HA ALA 33 HA ALA 33 -0.238 -5.479 -5.356 223 HB1 ALA 33 1HB ALA 33 1.045 -8.057 -4.766 224 HB2 ALA 33 2HB ALA 33 -0.694 -8.128 -5.053 225 HB3 ALA 33 3HB ALA 33 0.374 -7.439 -6.275 226 H VAL 34 H VAL 34 -2.269 -5.150 -4.706 227 HA VAL 34 HA VAL 34 -2.943 -5.770 -1.919 228 HB VAL 34 HB VAL 34 -4.408 -3.952 -3.834 229 HG11 VAL 34 1HG1 VAL 34 -5.002 -3.129 -1.306 230 HG12 VAL 34 2HG1 VAL 34 -6.012 -4.197 -2.283 231 HG13 VAL 34 3HG1 VAL 34 -4.896 -4.877 -1.097 232 HG21 VAL 34 1HG2 VAL 34 -3.097 -2.588 -1.680 233 HG22 VAL 34 2HG2 VAL 34 -1.922 -3.540 -2.589 234 HG23 VAL 34 3HG2 VAL 34 -2.924 -2.350 -3.419 235 H GLN 35 H GLN 35 -3.740 -7.802 -1.848 236 HA GLN 35 HA GLN 35 -5.380 -8.921 -3.895 237 HB2 GLN 35 1HB GLN 35 -3.884 -10.195 -2.290 238 HB3 GLN 35 2HB GLN 35 -5.114 -9.924 -1.063 239 HG2 GLN 35 1HG GLN 35 -6.630 -11.327 -2.076 240 HG3 GLN 35 2HG GLN 35 -5.878 -11.166 -3.662 241 HE21 GLN 35 1HE2 GLN 35 -6.537 -13.408 -1.593 242 HE22 GLN 35 2HE2 GLN 35 -5.119 -14.393 -1.650 243 H LEU 36 H LEU 36 -7.571 -9.202 -3.979 244 HA LEU 36 HA LEU 36 -9.145 -7.424 -2.309 245 HB2 LEU 36 1HB LEU 36 -10.138 -9.209 -4.516 246 HB3 LEU 36 2HB LEU 36 -10.915 -7.773 -3.853 247 HG LEU 36 HG LEU 36 -8.381 -7.791 -5.492 248 HD11 LEU 36 1HD1 LEU 36 -11.256 -7.307 -6.176 249 HD12 LEU 36 2HD1 LEU 36 -10.063 -8.301 -7.010 250 HD13 LEU 36 3HD1 LEU 36 -9.960 -6.543 -7.097 251 HD21 LEU 36 1HD2 LEU 36 -8.417 -5.953 -3.918 252 HD22 LEU 36 2HD2 LEU 36 -10.055 -5.525 -4.413 253 HD23 LEU 36 3HD2 LEU 36 -8.716 -5.351 -5.548 254 H ASN 37 H ASN 37 -8.880 -10.881 -2.997 255 HA ASN 37 HA ASN 37 -9.582 -12.719 -1.857 256 HB2 ASN 37 1HB ASN 37 -9.931 -10.731 0.399 257 HB3 ASN 37 2HB ASN 37 -10.008 -12.481 0.580 258 HD21 ASN 37 1HD2 ASN 37 -8.030 -9.775 0.599 259 HD22 ASN 37 2HD2 ASN 37 -6.499 -10.576 0.617 260 H GLY 38 H GLY 38 -11.454 -11.181 -3.432 261 HA2 GLY 38 1HA GLY 38 -13.718 -12.234 -3.668 262 HA3 GLY 38 2HA GLY 38 -13.960 -11.785 -1.986 263 H ALA 39 H ALA 39 -12.822 -9.212 -2.058 264 HA ALA 39 HA ALA 39 -14.965 -7.620 -2.723 265 HB1 ALA 39 1HB ALA 39 -12.754 -7.115 -1.413 266 HB2 ALA 39 2HB ALA 39 -12.223 -6.479 -2.970 267 HB3 ALA 39 3HB ALA 39 -13.656 -5.812 -2.188 268 H ARG 40 H ARG 40 -15.371 -6.139 -4.431 269 HA ARG 40 HA ARG 40 -13.904 -6.578 -6.925 270 HB2 ARG 40 1HB ARG 40 -15.883 -8.115 -6.865 271 HB3 ARG 40 2HB ARG 40 -16.919 -6.697 -6.774 272 HG2 ARG 40 1HG ARG 40 -16.897 -7.399 -9.032 273 HG3 ARG 40 2HG ARG 40 -15.911 -5.939 -8.940 274 HD2 ARG 40 1HD ARG 40 -14.560 -7.286 -10.214 275 HD3 ARG 40 2HD ARG 40 -13.959 -7.654 -8.597 276 HE ARG 40 HE ARG 40 -15.499 -9.405 -10.333 277 HH11 ARG 40 1HH1 ARG 40 -14.150 -8.816 -7.178 278 HH12 ARG 40 2HH1 ARG 40 -14.223 -10.477 -6.693 279 HH21 ARG 40 1HH2 ARG 40 -15.600 -11.596 -9.706 280 HH22 ARG 40 2HH2 ARG 40 -15.047 -12.058 -8.132 281 H GLY 41 H GLY 41 -13.189 -4.601 -7.401 282 HA2 GLY 41 1HA GLY 41 -14.923 -2.510 -8.126 283 HA3 GLY 41 2HA GLY 41 -14.319 -2.194 -6.506 284 H VAL 42 H VAL 42 -13.070 -0.432 -6.988 285 HA VAL 42 HA VAL 42 -10.700 -0.979 -8.646 286 HB VAL 42 HB VAL 42 -12.240 1.620 -8.579 287 HG11 VAL 42 1HG1 VAL 42 -10.402 2.631 -9.303 288 HG12 VAL 42 2HG1 VAL 42 -9.507 1.121 -9.119 289 HG13 VAL 42 3HG1 VAL 42 -10.293 1.500 -10.652 290 HG21 VAL 42 1HG2 VAL 42 -11.798 -0.256 -10.896 291 HG22 VAL 42 2HG2 VAL 42 -13.261 -0.234 -9.911 292 HG23 VAL 42 3HG2 VAL 42 -12.815 1.185 -10.860 293 H ILE 43 H ILE 43 -9.020 -1.015 -7.309 294 HA ILE 43 HA ILE 43 -9.026 0.482 -4.837 295 HB ILE 43 HB ILE 43 -6.905 -1.286 -6.061 296 HG12 ILE 43 1HG1 ILE 43 -9.219 -2.189 -5.192 297 HG13 ILE 43 2HG1 ILE 43 -7.728 -3.031 -4.786 298 HG21 ILE 43 1HG2 ILE 43 -6.026 -1.264 -3.667 299 HG22 ILE 43 2HG2 ILE 43 -5.745 0.177 -4.643 300 HG23 ILE 43 3HG2 ILE 43 -7.032 0.166 -3.437 301 HD11 ILE 43 1HD1 ILE 43 -9.056 -1.013 -2.998 302 HD12 ILE 43 2HD1 ILE 43 -9.309 -2.756 -2.893 303 HD13 ILE 43 3HD1 ILE 43 -7.707 -2.078 -2.602 304 H ASP 44 H ASP 44 -8.337 2.500 -4.656 305 HA ASP 44 HA ASP 44 -6.464 3.540 -6.675 306 HB2 ASP 44 1HB ASP 44 -8.716 4.788 -5.152 307 HB3 ASP 44 2HB ASP 44 -7.369 5.802 -5.663 308 H ALA 45 H ALA 45 -4.451 3.836 -6.015 309 HA ALA 45 HA ALA 45 -3.918 4.115 -3.142 310 HB1 ALA 45 1HB ALA 45 -2.666 2.642 -5.215 311 HB2 ALA 45 2HB ALA 45 -1.514 3.842 -4.629 312 HB3 ALA 45 3HB ALA 45 -2.249 2.702 -3.502 313 H ARG 46 H ARG 46 -2.738 5.808 -2.308 314 HA ARG 46 HA ARG 46 -1.631 7.834 -4.049 315 HB2 ARG 46 1HB ARG 46 -3.984 8.436 -2.249 316 HB3 ARG 46 2HB ARG 46 -2.980 9.661 -3.014 317 HG2 ARG 46 1HG ARG 46 -3.627 8.377 -5.206 318 HG3 ARG 46 2HG ARG 46 -4.984 7.825 -4.221 319 HD2 ARG 46 1HD ARG 46 -4.219 10.716 -4.601 320 HD3 ARG 46 2HD ARG 46 -5.451 9.882 -5.547 321 HE ARG 46 HE ARG 46 -6.049 9.557 -2.833 322 HH11 ARG 46 1HH1 ARG 46 -5.917 12.068 -5.241 323 HH12 ARG 46 2HH1 ARG 46 -7.147 13.032 -4.492 324 HH21 ARG 46 1HH2 ARG 46 -7.670 10.816 -1.838 325 HH22 ARG 46 2HH2 ARG 46 -8.143 12.319 -2.556 326 H VAL 47 H VAL 47 0.225 8.423 -3.159 327 HA VAL 47 HA VAL 47 0.645 8.004 -0.299 328 HB VAL 47 HB VAL 47 3.049 8.508 -0.856 329 HG11 VAL 47 1HG1 VAL 47 1.459 6.196 -1.685 330 HG12 VAL 47 2HG1 VAL 47 3.026 6.320 -2.489 331 HG13 VAL 47 3HG1 VAL 47 2.938 6.273 -0.728 332 HG21 VAL 47 1HG2 VAL 47 1.908 9.378 -3.277 333 HG22 VAL 47 2HG2 VAL 47 3.617 9.318 -2.846 334 HG23 VAL 47 3HG2 VAL 47 2.864 7.946 -3.657 335 H HIS 48 H HIS 48 1.114 9.603 1.137 336 HA HIS 48 HA HIS 48 0.876 12.363 0.138 337 HB2 HIS 48 1HB HIS 48 0.095 11.115 2.769 338 HB3 HIS 48 2HB HIS 48 0.228 12.859 2.562 339 HD1 HIS 48 1HD HIS 48 -1.844 13.996 1.830 340 HD2 HIS 48 2HD HIS 48 -1.861 9.959 0.848 341 HE1 HIS 48 1HE HIS 48 -4.115 13.553 0.845 342 HE2 HIS 48 2HE HIS 48 -4.133 11.087 0.337 343 H THR 49 H THR 49 2.813 13.279 -0.032 344 HA THR 49 HA THR 49 5.152 12.452 1.250 345 HB THR 49 HB THR 49 6.108 14.638 0.573 346 HG1 THR 49 1HG THR 49 4.688 16.065 -0.592 347 HG21 THR 49 1HG2 THR 49 4.836 12.699 -1.167 348 HG22 THR 49 2HG2 THR 49 6.406 13.488 -1.321 349 HG23 THR 49 3HG2 THR 49 4.955 14.282 -1.932 350 HA PRO 50 HA PRO 50 4.932 14.121 5.310 351 HB2 PRO 50 1HB PRO 50 7.565 14.564 5.800 352 HB3 PRO 50 2HB PRO 50 6.856 12.946 5.753 353 HG2 PRO 50 1HG PRO 50 8.390 14.403 3.635 354 HG3 PRO 50 2HG PRO 50 8.515 12.708 4.141 355 HD2 PRO 50 1HD PRO 50 7.154 13.472 1.928 356 HD3 PRO 50 2HD PRO 50 6.672 12.075 2.910 357 H SER 51 H SER 51 5.828 15.952 2.643 358 HA SER 51 HA SER 51 6.405 18.374 4.160 359 HB2 SER 51 1HB SER 51 7.691 17.771 2.078 360 HB3 SER 51 2HB SER 51 6.215 18.062 1.158 361 HG SER 51 HG SER 51 7.341 19.998 2.889 362 H GLY 52 H GLY 52 4.072 17.284 1.694 363 HA2 GLY 52 1HA GLY 52 1.704 17.918 2.595 364 HA3 GLY 52 2HA GLY 52 2.338 19.545 2.393 365 H ALA 53 H ALA 53 2.925 16.767 0.294 366 HA ALA 53 HA ALA 53 1.353 18.102 -1.809 367 HB1 ALA 53 1HB ALA 53 3.877 18.359 -2.021 368 HB2 ALA 53 2HB ALA 53 3.910 16.633 -2.380 369 HB3 ALA 53 3HB ALA 53 3.015 17.734 -3.427 370 H VAL 54 H VAL 54 -0.115 16.845 -2.757 371 HA VAL 54 HA VAL 54 -0.305 14.062 -2.013 372 HB VAL 54 HB VAL 54 -2.060 15.709 -3.841 373 HG11 VAL 54 1HG1 VAL 54 -3.528 13.947 -3.991 374 HG12 VAL 54 2HG1 VAL 54 -1.983 13.095 -3.996 375 HG13 VAL 54 3HG1 VAL 54 -2.936 13.186 -2.515 376 HG21 VAL 54 1HG2 VAL 54 -1.952 15.326 -0.918 377 HG22 VAL 54 2HG2 VAL 54 -2.559 16.685 -1.863 378 HG23 VAL 54 3HG2 VAL 54 -3.553 15.244 -1.652 379 H GLU 55 H GLU 55 0.980 12.658 -3.031 380 HA GLU 55 HA GLU 55 1.727 13.055 -5.804 381 HB2 GLU 55 1HB GLU 55 2.584 11.249 -3.598 382 HB3 GLU 55 2HB GLU 55 2.833 10.694 -5.247 383 HG2 GLU 55 1HG GLU 55 3.784 13.375 -4.294 384 HG3 GLU 55 2HG GLU 55 4.755 11.911 -4.141 385 H GLU 56 H GLU 56 1.685 11.043 -7.244 386 HA GLU 56 HA GLU 56 -0.942 9.735 -6.974 387 HB2 GLU 56 1HB GLU 56 -1.125 9.728 -9.391 388 HB3 GLU 56 2HB GLU 56 -0.851 11.370 -8.824 389 HG2 GLU 56 1HG GLU 56 1.592 11.005 -9.347 390 HG3 GLU 56 2HG GLU 56 1.097 9.530 -10.175 391 H CYS 57 H CYS 57 -1.023 7.568 -7.085 392 HA CYS 57 HA CYS 57 1.470 6.113 -7.158 393 HB2 CYS 57 1HB CYS 57 0.314 4.337 -6.227 394 HB3 CYS 57 2HB CYS 57 -0.629 5.703 -5.644 395 HG CYS 57 HG CYS 57 -2.872 5.004 -6.686 396 H TYR 58 H TYR 58 1.706 4.138 -8.474 397 HA TYR 58 HA TYR 58 0.564 4.542 -11.159 398 HB2 TYR 58 1HB TYR 58 3.078 4.812 -10.834 399 HB3 TYR 58 2HB TYR 58 3.128 3.077 -10.541 400 HD1 TYR 58 1HD TYR 58 2.130 1.563 -12.392 401 HD2 TYR 58 2HD TYR 58 3.242 5.624 -13.008 402 HE1 TYR 58 1HE TYR 58 2.265 1.153 -14.814 403 HE2 TYR 58 2HE TYR 58 3.378 5.225 -15.432 404 HH TYR 58 HH TYR 58 2.434 2.131 -16.841 405 H VAL 59 H VAL 59 -1.191 3.221 -11.136 406 HA VAL 59 HA VAL 59 -0.649 0.349 -10.834 407 HB VAL 59 HB VAL 59 -1.760 0.838 -8.806 408 HG11 VAL 59 1HG1 VAL 59 -2.655 3.082 -9.929 409 HG12 VAL 59 2HG1 VAL 59 -4.129 2.119 -10.041 410 HG13 VAL 59 3HG1 VAL 59 -3.375 2.399 -8.471 411 HG21 VAL 59 1HG2 VAL 59 -4.265 0.075 -10.012 412 HG22 VAL 59 2HG2 VAL 59 -2.921 -0.797 -10.750 413 HG23 VAL 59 3HG2 VAL 59 -3.170 -0.873 -9.005 414 H SER 60 H SER 60 -1.187 -0.727 -12.606 415 HA SER 60 HA SER 60 -2.439 0.469 -14.821 416 HB2 SER 60 1HB SER 60 -0.875 -1.610 -14.694 417 HB3 SER 60 2HB SER 60 -2.369 -2.511 -14.441 418 HG SER 60 HG SER 60 -1.776 -0.822 -16.645 419 H GLU 61 H GLU 61 -4.307 -1.066 -15.888 420 HA GLU 61 HA GLU 61 -6.604 -0.572 -14.188 421 HB2 GLU 61 1HB GLU 61 -6.401 -0.046 -16.713 422 HB3 GLU 61 2HB GLU 61 -6.715 -1.760 -16.946 423 HG2 GLU 61 1HG GLU 61 -8.868 -1.611 -16.074 424 HG3 GLU 61 2HG GLU 61 -8.543 -0.065 -15.292 425 H LEU 62 H LEU 62 -8.187 -2.133 -13.668 426 HA LEU 62 HA LEU 62 -7.351 -4.489 -12.590 427 HB2 LEU 62 1HB LEU 62 -9.578 -3.422 -12.279 428 HB3 LEU 62 2HB LEU 62 -10.057 -4.069 -13.847 429 HG LEU 62 HG LEU 62 -9.386 -6.360 -12.707 430 HD11 LEU 62 1HD1 LEU 62 -9.785 -4.458 -10.444 431 HD12 LEU 62 2HD1 LEU 62 -8.632 -5.781 -10.613 432 HD13 LEU 62 3HD1 LEU 62 -10.329 -6.129 -10.287 433 HD21 LEU 62 1HD2 LEU 62 -11.982 -5.017 -11.988 434 HD22 LEU 62 2HD2 LEU 62 -11.684 -6.734 -12.261 435 HD23 LEU 62 3HD2 LEU 62 -11.610 -5.600 -13.611 436 H ASP 63 H ASP 63 -6.472 -6.259 -13.408 437 HA ASP 63 HA ASP 63 -7.373 -7.204 -16.043 438 HB2 ASP 63 1HB ASP 63 -4.518 -7.026 -15.061 439 HB3 ASP 63 2HB ASP 63 -5.013 -7.914 -16.500 440 H SER 64 H SER 64 -5.044 -8.341 -13.600 441 HA SER 64 HA SER 64 -6.267 -10.986 -13.722 442 HB2 SER 64 1HB SER 64 -3.744 -10.032 -12.347 443 HB3 SER 64 2HB SER 64 -4.292 -11.707 -12.410 444 HG SER 64 HG SER 64 -4.111 -11.592 -14.690 445 H ASP 65 H ASP 65 -7.813 -8.970 -12.489 446 HA ASP 65 HA ASP 65 -9.019 -8.524 -10.610 447 HB2 ASP 65 1HB ASP 65 -8.205 -11.375 -10.018 448 HB3 ASP 65 2HB ASP 65 -9.409 -10.482 -9.094 449 H LYS 66 H LYS 66 -6.438 -7.524 -10.530 450 HA LYS 66 HA LYS 66 -6.040 -7.344 -7.667 451 HB2 LYS 66 1HB LYS 66 -3.846 -8.306 -9.510 452 HB3 LYS 66 2HB LYS 66 -3.592 -7.781 -7.851 453 HG2 LYS 66 1HG LYS 66 -5.280 -9.589 -7.211 454 HG3 LYS 66 2HG LYS 66 -5.040 -10.209 -8.846 455 HD2 LYS 66 1HD LYS 66 -2.820 -10.755 -8.449 456 HD3 LYS 66 2HD LYS 66 -2.685 -9.638 -7.088 457 HE2 LYS 66 1HE LYS 66 -3.799 -11.076 -5.639 458 HE3 LYS 66 2HE LYS 66 -4.541 -11.984 -6.955 459 HZ1 LYS 66 1HZ LYS 66 -1.784 -12.225 -7.235 460 HZ2 LYS 66 2HZ LYS 66 -2.891 -13.429 -6.803 461 HZ3 LYS 66 3HZ LYS 66 -2.131 -12.510 -5.603 462 H HIS 67 H HIS 67 -3.872 -5.871 -7.412 463 HA HIS 67 HA HIS 67 -3.794 -3.798 -9.449 464 HB2 HIS 67 1HB HIS 67 -4.751 -3.305 -6.628 465 HB3 HIS 67 2HB HIS 67 -4.176 -2.020 -7.685 466 HD1 HIS 67 1HD HIS 67 -5.550 -2.176 -10.182 467 HD2 HIS 67 2HD HIS 67 -7.434 -3.481 -6.717 468 HE1 HIS 67 1HE HIS 67 -8.011 -2.140 -10.701 469 HE2 HIS 67 2HE HIS 67 -9.135 -2.852 -8.562 470 H THR 68 H THR 68 -1.737 -3.297 -9.759 471 HA THR 68 HA THR 68 0.179 -3.766 -7.581 472 HB THR 68 HB THR 68 0.765 -3.390 -10.524 473 HG1 THR 68 1HG THR 68 1.086 -5.697 -10.447 474 HG21 THR 68 1HG2 THR 68 2.802 -4.835 -9.294 475 HG22 THR 68 2HG2 THR 68 2.418 -3.548 -8.151 476 HG23 THR 68 3HG2 THR 68 2.867 -3.150 -9.809 477 H ILE 69 H ILE 69 0.832 -2.044 -6.487 478 HA ILE 69 HA ILE 69 0.686 0.598 -7.750 479 HB ILE 69 HB ILE 69 1.352 0.242 -4.862 480 HG12 ILE 69 1HG1 ILE 69 -0.516 -1.263 -5.106 481 HG13 ILE 69 2HG1 ILE 69 -1.099 0.219 -4.356 482 HG21 ILE 69 1HG2 ILE 69 0.090 2.326 -4.659 483 HG22 ILE 69 2HG2 ILE 69 1.377 2.468 -5.856 484 HG23 ILE 69 3HG2 ILE 69 -0.295 2.262 -6.379 485 HD11 ILE 69 1HD1 ILE 69 -2.619 -0.677 -6.073 486 HD12 ILE 69 2HD1 ILE 69 -2.047 0.951 -6.441 487 HD13 ILE 69 3HD1 ILE 69 -1.356 -0.438 -7.281 488 H ARG 70 H ARG 70 2.435 1.993 -7.827 489 HA ARG 70 HA ARG 70 5.024 1.044 -6.871 490 HB2 ARG 70 1HB ARG 70 4.473 0.387 -9.364 491 HB3 ARG 70 2HB ARG 70 4.896 2.065 -9.677 492 HG2 ARG 70 1HG ARG 70 7.054 1.567 -8.397 493 HG3 ARG 70 2HG ARG 70 6.623 -0.132 -8.599 494 HD2 ARG 70 1HD ARG 70 6.307 0.616 -11.113 495 HD3 ARG 70 2HD ARG 70 7.433 1.884 -10.631 496 HE ARG 70 HE ARG 70 8.397 -0.646 -9.817 497 HH11 ARG 70 1HH1 ARG 70 7.960 1.334 -12.647 498 HH12 ARG 70 2HH1 ARG 70 9.277 0.615 -13.513 499 HH21 ARG 70 1HH2 ARG 70 10.133 -1.600 -10.947 500 HH22 ARG 70 2HH2 ARG 70 10.512 -1.054 -12.546 501 H PHE 71 H PHE 71 6.116 2.651 -5.953 502 HA PHE 71 HA PHE 71 6.076 5.326 -7.001 503 HB2 PHE 71 1HB PHE 71 5.297 6.305 -4.785 504 HB3 PHE 71 2HB PHE 71 4.053 5.561 -5.785 505 HD1 PHE 71 1HD PHE 71 6.477 4.507 -3.147 506 HD2 PHE 71 2HD PHE 71 2.513 4.282 -4.681 507 HE1 PHE 71 1HE PHE 71 5.832 3.064 -1.261 508 HE2 PHE 71 2HE PHE 71 1.862 2.840 -2.798 509 HZ PHE 71 HZ PHE 71 3.522 2.229 -1.084 510 H ILE 72 H ILE 72 7.538 6.768 -5.817 511 HA ILE 72 HA ILE 72 9.512 5.299 -4.198 512 HB ILE 72 HB ILE 72 10.058 7.267 -6.418 513 HG12 ILE 72 1HG1 ILE 72 11.217 4.511 -6.071 514 HG13 ILE 72 2HG1 ILE 72 9.656 4.751 -6.849 515 HG21 ILE 72 1HG2 ILE 72 11.551 6.773 -4.017 516 HG22 ILE 72 2HG2 ILE 72 12.477 6.261 -5.426 517 HG23 ILE 72 3HG2 ILE 72 11.876 7.916 -5.320 518 HD11 ILE 72 1HD1 ILE 72 12.303 5.864 -7.744 519 HD12 ILE 72 2HD1 ILE 72 11.372 4.580 -8.516 520 HD13 ILE 72 3HD1 ILE 72 10.749 6.229 -8.493 521 HA PRO 73 HA PRO 73 8.714 8.599 -1.338 522 HB2 PRO 73 1HB PRO 73 10.631 7.918 0.460 523 HB3 PRO 73 2HB PRO 73 9.101 7.046 0.310 524 HG2 PRO 73 1HG PRO 73 11.794 6.349 -0.796 525 HG3 PRO 73 2HG PRO 73 10.598 5.297 -0.017 526 HD2 PRO 73 1HD PRO 73 10.904 5.415 -2.705 527 HD3 PRO 73 2HD PRO 73 9.335 5.102 -1.935 528 H HIS 74 H HIS 74 9.511 10.172 -2.942 529 HA HIS 74 HA HIS 74 12.030 10.890 -3.583 530 HB2 HIS 74 1HB HIS 74 9.675 12.623 -2.866 531 HB3 HIS 74 2HB HIS 74 11.197 13.323 -3.411 532 HD1 HIS 74 1HD HIS 74 9.470 10.245 -4.801 533 HD2 HIS 74 2HD HIS 74 10.545 14.093 -5.940 534 HE1 HIS 74 1HE HIS 74 8.933 10.395 -7.253 535 HE2 HIS 74 2HE HIS 74 9.671 12.704 -7.939 536 H GLU 75 H GLU 75 10.388 11.868 -0.579 537 HA GLU 75 HA GLU 75 13.025 12.567 0.532 538 HB2 GLU 75 1HB GLU 75 11.818 14.012 2.115 539 HB3 GLU 75 2HB GLU 75 11.509 14.469 0.446 540 HG2 GLU 75 1HG GLU 75 9.413 12.961 0.693 541 HG3 GLU 75 2HG GLU 75 9.685 13.178 2.421 542 H ASN 76 H ASN 76 13.160 12.273 2.952 543 HA ASN 76 HA ASN 76 12.458 9.549 3.570 544 HB2 ASN 76 1HB ASN 76 13.842 11.615 5.295 545 HB3 ASN 76 2HB ASN 76 13.780 9.881 5.597 546 HD21 ASN 76 1HD2 ASN 76 14.306 8.794 3.198 547 HD22 ASN 76 2HD2 ASN 76 15.884 9.244 2.657 548 H GLY 77 H GLY 77 11.513 8.984 5.719 549 HA2 GLY 77 1HA GLY 77 10.160 9.810 7.607 550 HA3 GLY 77 2HA GLY 77 9.407 10.918 6.470 551 H VAL 78 H VAL 78 7.965 9.157 8.114 552 HA VAL 78 HA VAL 78 7.204 6.828 6.619 553 HB VAL 78 HB VAL 78 5.844 8.140 8.977 554 HG11 VAL 78 1HG1 VAL 78 4.301 6.507 8.986 555 HG12 VAL 78 2HG1 VAL 78 4.721 6.342 7.280 556 HG13 VAL 78 3HG1 VAL 78 5.454 5.274 8.477 557 HG21 VAL 78 1HG2 VAL 78 7.863 5.914 8.784 558 HG22 VAL 78 2HG2 VAL 78 8.022 7.449 9.639 559 HG23 VAL 78 3HG2 VAL 78 6.895 6.226 10.226 560 H HIS 79 H HIS 79 6.201 7.113 4.724 561 HA HIS 79 HA HIS 79 4.437 9.326 4.229 562 HB2 HIS 79 1HB HIS 79 5.026 6.872 2.560 563 HB3 HIS 79 2HB HIS 79 4.125 8.282 2.012 564 HD1 HIS 79 1HD HIS 79 7.243 8.654 4.059 565 HD2 HIS 79 2HD HIS 79 6.028 8.969 0.098 566 HE1 HIS 79 1HE HIS 79 9.162 9.742 2.852 567 HE2 HIS 79 2HE HIS 79 8.371 9.999 0.474 568 H SER 80 H SER 80 2.210 9.093 3.522 569 HA SER 80 HA SER 80 0.842 6.937 4.986 570 HB2 SER 80 1HB SER 80 0.206 9.808 4.509 571 HB3 SER 80 2HB SER 80 -1.146 8.680 4.603 572 HG SER 80 HG SER 80 -0.318 8.009 6.642 573 H ILE 81 H ILE 81 0.270 5.344 3.661 574 HA ILE 81 HA ILE 81 -0.358 5.865 0.878 575 HB ILE 81 HB ILE 81 -0.622 3.187 2.208 576 HG12 ILE 81 1HG1 ILE 81 1.563 4.140 2.871 577 HG13 ILE 81 2HG1 ILE 81 1.741 2.761 1.792 578 HG21 ILE 81 1HG2 ILE 81 0.444 2.714 -0.195 579 HG22 ILE 81 2HG2 ILE 81 -1.292 2.866 0.068 580 HG23 ILE 81 3HG2 ILE 81 -0.370 4.239 -0.544 581 HD11 ILE 81 1HD1 ILE 81 1.657 4.976 0.114 582 HD12 ILE 81 2HD1 ILE 81 2.659 5.466 1.481 583 HD13 ILE 81 3HD1 ILE 81 3.072 4.022 0.557 584 H ASP 82 H ASP 82 -2.323 6.684 0.504 585 HA ASP 82 HA ASP 82 -4.606 5.888 2.107 586 HB2 ASP 82 1HB ASP 82 -4.050 7.991 0.075 587 HB3 ASP 82 2HB ASP 82 -5.720 7.462 0.260 588 H VAL 83 H VAL 83 -5.363 3.907 1.655 589 HA VAL 83 HA VAL 83 -5.690 3.135 -1.164 590 HB VAL 83 HB VAL 83 -5.701 1.417 1.321 591 HG11 VAL 83 1HG1 VAL 83 -6.879 -0.022 0.090 592 HG12 VAL 83 2HG1 VAL 83 -6.651 0.927 -1.380 593 HG13 VAL 83 3HG1 VAL 83 -5.419 -0.230 -0.876 594 HG21 VAL 83 1HG2 VAL 83 -3.638 2.167 -0.661 595 HG22 VAL 83 2HG2 VAL 83 -3.475 1.761 1.047 596 HG23 VAL 83 3HG2 VAL 83 -3.672 0.480 -0.149 597 H LYS 84 H LYS 84 -7.644 3.519 -1.956 598 HA LYS 84 HA LYS 84 -9.975 3.205 -0.180 599 HB2 LYS 84 1HB LYS 84 -9.444 5.049 -2.491 600 HB3 LYS 84 2HB LYS 84 -11.094 4.655 -2.024 601 HG2 LYS 84 1HG LYS 84 -10.448 5.416 0.313 602 HG3 LYS 84 2HG LYS 84 -8.999 6.096 -0.431 603 HD2 LYS 84 1HD LYS 84 -10.379 7.914 -0.546 604 HD3 LYS 84 2HD LYS 84 -10.778 7.146 -2.084 605 HE2 LYS 84 1HE LYS 84 -12.834 6.452 -1.359 606 HE3 LYS 84 2HE LYS 84 -12.327 6.353 0.327 607 HZ1 LYS 84 1HZ LYS 84 -13.867 8.292 -0.620 608 HZ2 LYS 84 2HZ LYS 84 -12.353 9.011 -0.847 609 HZ3 LYS 84 3HZ LYS 84 -12.825 8.503 0.696 610 H PHE 85 H PHE 85 -11.763 2.061 -0.900 611 HA PHE 85 HA PHE 85 -11.363 0.504 -3.370 612 HB2 PHE 85 1HB PHE 85 -11.090 -1.041 -1.597 613 HB3 PHE 85 2HB PHE 85 -12.436 -0.358 -0.690 614 HD1 PHE 85 1HD PHE 85 -11.481 -2.509 -3.496 615 HD2 PHE 85 2HD PHE 85 -14.705 -0.961 -1.189 616 HE1 PHE 85 1HE PHE 85 -12.987 -4.188 -4.480 617 HE2 PHE 85 2HE PHE 85 -16.216 -2.638 -2.168 618 HZ PHE 85 HZ PHE 85 -15.357 -4.255 -3.815 619 H ASN 86 H ASN 86 -12.696 1.405 -4.819 620 HA ASN 86 HA ASN 86 -14.552 2.415 -5.716 621 HB2 ASN 86 1HB ASN 86 -15.010 -0.165 -5.364 622 HB3 ASN 86 2HB ASN 86 -16.223 0.428 -4.233 623 HD21 ASN 86 1HD2 ASN 86 -16.068 -0.792 -7.106 624 HD22 ASN 86 2HD2 ASN 86 -17.244 0.139 -7.963 625 H GLY 87 H GLY 87 -13.785 3.827 -3.486 626 HA2 GLY 87 1HA GLY 87 -14.691 5.590 -2.282 627 HA3 GLY 87 2HA GLY 87 -16.295 5.023 -2.723 628 H ALA 88 H ALA 88 -13.727 3.239 -1.067 629 HA ALA 88 HA ALA 88 -15.098 3.439 1.478 630 HB1 ALA 88 1HB ALA 88 -15.975 1.376 1.622 631 HB2 ALA 88 2HB ALA 88 -15.926 1.426 -0.141 632 HB3 ALA 88 3HB ALA 88 -14.631 0.632 0.756 633 H HIS 89 H HIS 89 -13.484 3.886 2.819 634 HA HIS 89 HA HIS 89 -10.772 3.302 2.309 635 HB2 HIS 89 1HB HIS 89 -12.323 4.414 4.589 636 HB3 HIS 89 2HB HIS 89 -10.711 3.796 4.940 637 HD1 HIS 89 1HD HIS 89 -8.745 5.219 4.249 638 HD2 HIS 89 2HD HIS 89 -12.360 6.627 2.763 639 HE1 HIS 89 1HE HIS 89 -8.235 7.478 3.270 640 HE2 HIS 89 2HE HIS 89 -10.454 8.347 2.454 641 H ILE 90 H ILE 90 -9.472 1.654 2.912 642 HA ILE 90 HA ILE 90 -10.737 -0.759 3.876 643 HB ILE 90 HB ILE 90 -8.648 -1.866 3.425 644 HG12 ILE 90 1HG1 ILE 90 -7.359 0.705 2.583 645 HG13 ILE 90 2HG1 ILE 90 -7.338 0.241 4.280 646 HG21 ILE 90 1HG2 ILE 90 -8.885 0.073 1.161 647 HG22 ILE 90 2HG2 ILE 90 -8.636 -1.672 1.119 648 HG23 ILE 90 3HG2 ILE 90 -10.217 -1.018 1.543 649 HD11 ILE 90 1HD1 ILE 90 -6.515 -2.047 3.019 650 HD12 ILE 90 2HD1 ILE 90 -5.783 -0.770 2.046 651 HD13 ILE 90 3HD1 ILE 90 -5.468 -0.849 3.779 652 HA PRO 91 HA PRO 91 -9.622 -0.461 8.115 653 HB2 PRO 91 1HB PRO 91 -9.301 -3.086 8.729 654 HB3 PRO 91 2HB PRO 91 -10.884 -2.352 8.444 655 HG2 PRO 91 1HG PRO 91 -9.184 -3.969 6.585 656 HG3 PRO 91 2HG PRO 91 -10.934 -4.052 6.858 657 HD2 PRO 91 1HD PRO 91 -9.850 -2.768 4.735 658 HD3 PRO 91 2HD PRO 91 -11.358 -2.235 5.505 659 H GLY 92 H GLY 92 -7.648 0.512 8.332 660 HA2 GLY 92 1HA GLY 92 -5.489 -0.221 9.427 661 HA3 GLY 92 2HA GLY 92 -5.268 -1.202 7.986 662 H SER 93 H SER 93 -6.591 1.136 6.477 663 HA SER 93 HA SER 93 -4.083 2.473 5.892 664 HB2 SER 93 1HB SER 93 -5.091 2.074 3.876 665 HB3 SER 93 2HB SER 93 -6.718 2.183 4.547 666 HG SER 93 HG SER 93 -6.722 4.299 4.249 667 HA PRO 94 HA PRO 94 -3.714 4.414 4.577 668 HB2 PRO 94 1HB PRO 94 -1.826 6.200 5.362 669 HB3 PRO 94 2HB PRO 94 -3.320 6.677 4.545 670 HG2 PRO 94 1HG PRO 94 -2.655 6.736 7.463 671 HG3 PRO 94 2HG PRO 94 -3.492 7.953 6.482 672 HD2 PRO 94 1HD PRO 94 -4.812 6.219 8.089 673 HD3 PRO 94 2HD PRO 94 -5.500 6.825 6.569 674 H PHE 95 H PHE 95 -1.893 3.185 4.325 675 HA PHE 95 HA PHE 95 -0.963 1.738 6.629 676 HB2 PHE 95 1HB PHE 95 -0.362 1.598 3.683 677 HB3 PHE 95 2HB PHE 95 0.562 0.659 4.851 678 HD1 PHE 95 1HD PHE 95 -1.146 -0.508 6.667 679 HD2 PHE 95 2HD PHE 95 -1.974 0.406 2.593 680 HE1 PHE 95 1HE PHE 95 -2.876 -2.258 6.629 681 HE2 PHE 95 2HE PHE 95 -3.706 -1.341 2.550 682 HZ PHE 95 HZ PHE 95 -4.159 -2.675 4.569 683 H LYS 96 H LYS 96 0.384 2.768 7.969 684 HA LYS 96 HA LYS 96 2.233 4.764 7.137 685 HB2 LYS 96 1HB LYS 96 2.068 3.209 9.726 686 HB3 LYS 96 2HB LYS 96 3.073 4.629 9.464 687 HG2 LYS 96 1HG LYS 96 0.090 4.677 9.119 688 HG3 LYS 96 2HG LYS 96 0.880 4.994 10.665 689 HD2 LYS 96 1HD LYS 96 1.754 6.487 8.230 690 HD3 LYS 96 2HD LYS 96 0.274 6.970 9.062 691 HE2 LYS 96 1HE LYS 96 1.440 7.424 11.068 692 HE3 LYS 96 2HE LYS 96 2.894 6.609 10.494 693 HZ1 LYS 96 1HZ LYS 96 3.355 8.345 9.011 694 HZ2 LYS 96 2HZ LYS 96 2.912 9.117 10.449 695 HZ3 LYS 96 3HZ LYS 96 1.813 9.023 9.167 696 H ILE 97 H ILE 97 3.840 4.195 5.795 697 HA ILE 97 HA ILE 97 5.382 1.767 6.403 698 HB ILE 97 HB ILE 97 6.287 1.982 4.107 699 HG12 ILE 97 1HG1 ILE 97 4.196 4.135 3.747 700 HG13 ILE 97 2HG1 ILE 97 5.912 4.462 3.957 701 HG21 ILE 97 1HG2 ILE 97 4.341 1.157 2.982 702 HG22 ILE 97 2HG2 ILE 97 4.286 0.603 4.654 703 HG23 ILE 97 3HG2 ILE 97 3.275 1.952 4.139 704 HD11 ILE 97 1HD1 ILE 97 4.793 4.314 1.575 705 HD12 ILE 97 2HD1 ILE 97 6.441 3.757 1.865 706 HD13 ILE 97 3HD1 ILE 97 5.116 2.595 1.799 707 H ARG 98 H ARG 98 7.480 1.873 6.964 708 HA ARG 98 HA ARG 98 8.628 4.527 7.365 709 HB2 ARG 98 1HB ARG 98 8.583 2.832 9.214 710 HB3 ARG 98 2HB ARG 98 9.703 1.855 8.275 711 HG2 ARG 98 1HG ARG 98 11.373 3.605 8.389 712 HG3 ARG 98 2HG ARG 98 10.244 4.651 9.252 713 HD2 ARG 98 1HD ARG 98 10.126 2.875 11.029 714 HD3 ARG 98 2HD ARG 98 11.455 2.063 10.203 715 HE ARG 98 HE ARG 98 11.615 4.406 11.853 716 HH11 ARG 98 1HH1 ARG 98 13.108 2.644 9.248 717 HH12 ARG 98 2HH1 ARG 98 14.682 3.314 9.523 718 HH21 ARG 98 1HH2 ARG 98 13.682 5.295 12.226 719 HH22 ARG 98 2HH2 ARG 98 15.008 4.820 11.218 720 H VAL 99 H VAL 99 10.153 5.345 6.091 721 HA VAL 99 HA VAL 99 11.528 3.528 4.221 722 HB VAL 99 HB VAL 99 10.867 6.456 3.891 723 HG11 VAL 99 1HG1 VAL 99 12.353 6.612 2.239 724 HG12 VAL 99 2HG1 VAL 99 13.036 5.095 2.828 725 HG13 VAL 99 3HG1 VAL 99 11.837 5.080 1.534 726 HG21 VAL 99 1HG2 VAL 99 9.828 3.960 2.564 727 HG22 VAL 99 2HG2 VAL 99 8.922 5.125 3.530 728 HG23 VAL 99 3HG2 VAL 99 9.543 5.587 1.946 729 H GLY 100 H GLY 100 13.510 3.104 4.967 730 HA2 GLY 100 1HA GLY 100 14.956 5.002 6.593 731 HA3 GLY 100 2HA GLY 100 15.511 3.408 6.103 732 H GLU 101 H GLU 101 17.546 4.028 5.460 733 HA GLU 101 HA GLU 101 17.694 5.962 3.247 734 HB2 GLU 101 1HB GLU 101 20.041 6.256 3.822 735 HB3 GLU 101 2HB GLU 101 19.029 6.544 5.230 736 HG2 GLU 101 1HG GLU 101 19.633 4.488 6.210 737 HG3 GLU 101 2HG GLU 101 20.358 3.903 4.714 738 H GLN 102 H GLN 102 19.112 5.492 1.470 739 HA GLN 102 HA GLN 102 18.872 2.803 0.560 740 HB2 GLN 102 1HB GLN 102 18.803 4.853 -0.898 741 HB3 GLN 102 2HB GLN 102 20.538 5.007 -0.659 742 HG2 GLN 102 1HG GLN 102 20.859 2.795 -1.671 743 HG3 GLN 102 2HG GLN 102 19.121 2.685 -1.946 744 HE21 GLN 102 1HE2 GLN 102 19.880 2.382 -4.183 745 HE22 GLN 102 2HE2 GLN 102 20.144 3.787 -5.153 746 H SER 103 H SER 103 20.571 1.368 -0.034 747 HA SER 103 HA SER 103 23.266 1.863 0.832 748 HB2 SER 103 1HB SER 103 23.379 0.105 2.515 749 HB3 SER 103 2HB SER 103 22.157 1.289 2.978 750 HG SER 103 HG SER 103 21.456 -0.906 3.206 751 H GLN 104 H GLN 104 24.693 0.589 -0.231 752 HA GLN 104 HA GLN 104 23.579 -1.300 -2.156 753 HB2 GLN 104 1HB GLN 104 26.147 0.210 -1.925 754 HB3 GLN 104 2HB GLN 104 26.110 -1.259 -2.891 755 HG2 GLN 104 1HG GLN 104 24.213 -0.283 -4.175 756 HG3 GLN 104 2HG GLN 104 24.456 1.220 -3.287 757 HE21 GLN 104 1HE2 GLN 104 25.471 -0.727 -5.885 758 HE22 GLN 104 2HE2 GLN 104 26.767 0.273 -6.437 759 H ALA 105 H ALA 105 23.705 -3.430 -1.913 760 HA ALA 105 HA ALA 105 25.585 -4.495 0.093 761 HB1 ALA 105 1HB ALA 105 23.974 -5.768 0.981 762 HB2 ALA 105 2HB ALA 105 22.860 -4.681 0.151 763 HB3 ALA 105 3HB ALA 105 23.321 -6.209 -0.597 764 H GLY 106 H GLY 106 27.296 -5.049 -1.193 765 HA2 GLY 106 1HA GLY 106 27.407 -7.479 -2.451 766 HA3 GLY 106 2HA GLY 106 26.958 -6.355 -3.725 767 H SER 107 H SER 107 29.476 -7.431 -1.601 768 HA SER 107 HA SER 107 31.356 -5.382 -2.185 769 HB2 SER 107 1HB SER 107 31.609 -6.760 -0.195 770 HB3 SER 107 2HB SER 107 31.769 -8.210 -1.185 771 HG SER 107 HG SER 107 33.811 -7.499 -0.596 772 H GLY 108 H GLY 108 32.078 -4.992 -4.173 773 HA2 GLY 108 1HA GLY 108 33.810 -6.100 -5.713 774 HA3 GLY 108 2HA GLY 108 32.530 -7.275 -5.981 775 HA PRO 109 HA PRO 109 31.261 -3.017 -7.979 776 HB2 PRO 109 1HB PRO 109 33.372 -1.449 -8.651 777 HB3 PRO 109 2HB PRO 109 32.527 -1.311 -7.105 778 HG2 PRO 109 1HG PRO 109 35.094 -2.714 -7.742 779 HG3 PRO 109 2HG PRO 109 34.694 -1.691 -6.351 780 HD2 PRO 109 1HD PRO 109 34.695 -4.395 -6.218 781 HD3 PRO 109 2HD PRO 109 33.589 -3.393 -5.257 782 H SER 110 H SER 110 33.856 -5.115 -8.751 783 HA SER 110 HA SER 110 33.007 -5.228 -11.514 784 HB2 SER 110 1HB SER 110 35.901 -4.601 -10.887 785 HB3 SER 110 2HB SER 110 35.179 -4.787 -12.485 786 HG SER 110 HG SER 110 35.009 -2.665 -10.683 787 H SER 111 H SER 111 32.965 -7.286 -12.114 788 HA SER 111 HA SER 111 34.419 -9.250 -10.508 789 HB2 SER 111 1HB SER 111 32.106 -9.779 -10.709 790 HB3 SER 111 2HB SER 111 32.117 -9.483 -12.448 791 HG SER 111 HG SER 111 33.397 -11.323 -12.707 792 H GLY 112 H GLY 112 36.404 -9.698 -11.216 793 HA2 GLY 112 1HA GLY 112 37.124 -11.138 -13.349 794 HA3 GLY 112 2HA GLY 112 37.039 -9.529 -14.049 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -30.528 0.379 -3.743 2 HA2 GLY 1 1HA GLY 1 -30.011 -1.858 -4.979 3 HA3 GLY 1 2HA GLY 1 -30.268 -2.521 -3.371 4 H SER 2 H SER 2 -32.196 -3.427 -3.203 5 HA SER 2 HA SER 2 -34.447 -2.231 -4.675 6 HB2 SER 2 1HB SER 2 -35.520 -4.489 -4.406 7 HB3 SER 2 2HB SER 2 -34.053 -4.498 -5.385 8 HG SER 2 HG SER 2 -34.490 -5.511 -2.811 9 H SER 3 H SER 3 -33.505 -3.652 -1.573 10 HA SER 3 HA SER 3 -35.800 -2.273 -0.341 11 HB2 SER 3 1HB SER 3 -36.021 -4.064 1.255 12 HB3 SER 3 2HB SER 3 -36.006 -4.778 -0.358 13 HG SER 3 HG SER 3 -33.661 -5.054 0.050 14 H GLY 4 H GLY 4 -33.450 -0.923 -0.656 15 HA2 GLY 4 1HA GLY 4 -31.766 0.174 0.467 16 HA3 GLY 4 2HA GLY 4 -32.875 0.087 1.828 17 H SER 5 H SER 5 -31.147 -2.522 0.157 18 HA SER 5 HA SER 5 -30.250 -3.558 2.704 19 HB2 SER 5 1HB SER 5 -29.706 -4.587 -0.091 20 HB3 SER 5 2HB SER 5 -29.419 -5.457 1.416 21 HG SER 5 HG SER 5 -31.446 -5.991 1.458 22 H SER 6 H SER 6 -28.891 -1.710 3.229 23 HA SER 6 HA SER 6 -26.296 -1.791 1.831 24 HB2 SER 6 1HB SER 6 -27.753 0.496 3.149 25 HB3 SER 6 2HB SER 6 -26.018 0.559 2.838 26 HG SER 6 HG SER 6 -26.863 1.391 1.031 27 H GLY 7 H GLY 7 -24.452 -1.042 3.300 28 HA2 GLY 7 1HA GLY 7 -23.760 -0.874 5.674 29 HA3 GLY 7 2HA GLY 7 -24.819 -2.244 5.976 30 H SER 8 H SER 8 -24.226 -4.027 4.077 31 HA SER 8 HA SER 8 -22.061 -5.403 4.946 32 HB2 SER 8 1HB SER 8 -23.772 -6.201 3.282 33 HB3 SER 8 2HB SER 8 -22.877 -5.334 2.034 34 HG SER 8 HG SER 8 -21.081 -6.646 2.498 35 H ASP 9 H ASP 9 -19.909 -5.278 4.819 36 HA ASP 9 HA ASP 9 -18.753 -3.280 2.985 37 HB2 ASP 9 1HB ASP 9 -17.736 -4.139 5.703 38 HB3 ASP 9 2HB ASP 9 -16.951 -2.975 4.638 39 H ASP 10 H ASP 10 -17.488 -4.074 1.452 40 HA ASP 10 HA ASP 10 -16.445 -6.799 1.749 41 HB2 ASP 10 1HB ASP 10 -16.411 -5.192 -0.796 42 HB3 ASP 10 2HB ASP 10 -16.369 -6.942 -0.601 43 H ALA 11 H ALA 11 -15.471 -3.484 1.429 44 HA ALA 11 HA ALA 11 -12.856 -3.736 0.537 45 HB1 ALA 11 1HB ALA 11 -14.444 -1.681 1.493 46 HB2 ALA 11 2HB ALA 11 -13.094 -1.741 2.627 47 HB3 ALA 11 3HB ALA 11 -12.788 -1.540 0.901 48 H ARG 12 H ARG 12 -14.246 -4.644 3.561 49 HA ARG 12 HA ARG 12 -11.949 -4.576 5.189 50 HB2 ARG 12 1HB ARG 12 -13.164 -5.994 6.703 51 HB3 ARG 12 2HB ARG 12 -14.289 -4.833 6.012 52 HG2 ARG 12 1HG ARG 12 -15.206 -6.485 4.551 53 HG3 ARG 12 2HG ARG 12 -13.962 -7.649 5.008 54 HD2 ARG 12 1HD ARG 12 -15.887 -6.463 6.991 55 HD3 ARG 12 2HD ARG 12 -16.241 -7.935 6.086 56 HE ARG 12 HE ARG 12 -13.731 -7.965 7.511 57 HH11 ARG 12 1HH1 ARG 12 -17.137 -8.675 7.624 58 HH12 ARG 12 2HH1 ARG 12 -16.985 -9.841 8.897 59 HH21 ARG 12 1HH2 ARG 12 -13.517 -9.497 9.187 60 HH22 ARG 12 2HH2 ARG 12 -14.925 -10.307 9.786 61 H ARG 13 H ARG 13 -12.825 -6.618 2.602 62 HA ARG 13 HA ARG 13 -11.254 -8.886 3.447 63 HB2 ARG 13 1HB ARG 13 -12.534 -8.231 0.787 64 HB3 ARG 13 2HB ARG 13 -11.752 -9.757 1.177 65 HG2 ARG 13 1HG ARG 13 -13.402 -10.244 2.848 66 HG3 ARG 13 2HG ARG 13 -14.129 -8.647 2.651 67 HD2 ARG 13 1HD ARG 13 -14.889 -9.171 0.463 68 HD3 ARG 13 2HD ARG 13 -13.929 -10.649 0.413 69 HE ARG 13 HE ARG 13 -15.692 -10.861 2.558 70 HH11 ARG 13 1HH1 ARG 13 -15.809 -10.645 -0.915 71 HH12 ARG 13 2HH1 ARG 13 -17.279 -11.553 -1.052 72 HH21 ARG 13 1HH2 ARG 13 -17.627 -12.057 2.391 73 HH22 ARG 13 2HH2 ARG 13 -18.312 -12.355 0.829 74 H LEU 14 H LEU 14 -10.807 -6.023 1.515 75 HA LEU 14 HA LEU 14 -8.565 -6.768 0.025 76 HB2 LEU 14 1HB LEU 14 -9.028 -4.028 1.174 77 HB3 LEU 14 2HB LEU 14 -8.164 -4.449 -0.302 78 HG LEU 14 HG LEU 14 -11.133 -4.808 0.085 79 HD11 LEU 14 1HD1 LEU 14 -9.745 -2.411 -0.202 80 HD12 LEU 14 2HD1 LEU 14 -11.469 -2.682 -0.458 81 HD13 LEU 14 3HD1 LEU 14 -10.349 -2.788 -1.816 82 HD21 LEU 14 1HD2 LEU 14 -9.208 -5.445 -2.052 83 HD22 LEU 14 2HD2 LEU 14 -10.703 -4.667 -2.573 84 HD23 LEU 14 3HD2 LEU 14 -10.765 -6.179 -1.665 85 H THR 15 H THR 15 -6.393 -6.768 0.407 86 HA THR 15 HA THR 15 -5.299 -5.752 2.877 87 HB THR 15 HB THR 15 -6.089 -7.909 3.667 88 HG1 THR 15 1HG THR 15 -3.946 -7.107 4.291 89 HG21 THR 15 1HG2 THR 15 -4.320 -9.246 1.632 90 HG22 THR 15 2HG2 THR 15 -6.034 -8.952 1.341 91 HG23 THR 15 3HG2 THR 15 -5.530 -9.979 2.683 92 H VAL 16 H VAL 16 -2.918 -6.068 2.979 93 HA VAL 16 HA VAL 16 -1.721 -6.469 0.321 94 HB VAL 16 HB VAL 16 -0.967 -4.245 2.222 95 HG11 VAL 16 1HG1 VAL 16 -0.063 -4.668 -0.617 96 HG12 VAL 16 2HG1 VAL 16 0.564 -3.516 0.564 97 HG13 VAL 16 3HG1 VAL 16 0.844 -5.245 0.781 98 HG21 VAL 16 1HG2 VAL 16 -2.995 -4.407 0.161 99 HG22 VAL 16 2HG2 VAL 16 -2.701 -3.143 1.355 100 HG23 VAL 16 3HG2 VAL 16 -1.819 -3.136 -0.172 101 H THR 17 H THR 17 0.163 -7.574 0.288 102 HA THR 17 HA THR 17 1.400 -8.234 2.881 103 HB THR 17 HB THR 17 1.193 -10.110 0.520 104 HG1 THR 17 1HG THR 17 -0.807 -10.225 1.291 105 HG21 THR 17 1HG2 THR 17 2.945 -10.113 2.673 106 HG22 THR 17 2HG2 THR 17 2.567 -11.483 1.627 107 HG23 THR 17 3HG2 THR 17 1.688 -11.257 3.139 108 H SER 18 H SER 18 2.035 -8.425 -0.628 109 HA SER 18 HA SER 18 4.727 -8.620 -0.697 110 HB2 SER 18 1HB SER 18 2.953 -6.882 -2.420 111 HB3 SER 18 2HB SER 18 4.655 -7.177 -2.776 112 HG SER 18 HG SER 18 3.859 -9.526 -2.487 113 H LEU 19 H LEU 19 2.914 -5.622 -0.160 114 HA LEU 19 HA LEU 19 4.984 -3.798 -0.132 115 HB2 LEU 19 1HB LEU 19 2.784 -2.978 -0.002 116 HB3 LEU 19 2HB LEU 19 2.426 -3.938 1.433 117 HG LEU 19 HG LEU 19 4.196 -2.446 2.587 118 HD11 LEU 19 1HD1 LEU 19 3.445 -0.253 0.818 119 HD12 LEU 19 2HD1 LEU 19 4.496 -1.446 0.055 120 HD13 LEU 19 3HD1 LEU 19 5.004 -0.647 1.543 121 HD21 LEU 19 1HD2 LEU 19 2.269 -1.873 3.543 122 HD22 LEU 19 2HD2 LEU 19 1.374 -2.090 2.038 123 HD23 LEU 19 3HD2 LEU 19 2.180 -0.556 2.373 124 H GLN 20 H GLN 20 6.681 -3.426 1.140 125 HA GLN 20 HA GLN 20 7.066 -5.099 3.484 126 HB2 GLN 20 1HB GLN 20 8.871 -4.789 1.795 127 HB3 GLN 20 2HB GLN 20 8.951 -3.090 2.241 128 HG2 GLN 20 1HG GLN 20 10.690 -4.048 3.429 129 HG3 GLN 20 2HG GLN 20 9.393 -3.935 4.617 130 HE21 GLN 20 1HE2 GLN 20 10.993 -6.124 2.371 131 HE22 GLN 20 2HE2 GLN 20 10.648 -7.571 3.249 132 H GLU 21 H GLU 21 5.847 -4.308 5.138 133 HA GLU 21 HA GLU 21 5.089 -1.832 5.828 134 HB2 GLU 21 1HB GLU 21 6.095 -4.046 7.600 135 HB3 GLU 21 2HB GLU 21 5.463 -2.548 8.269 136 HG2 GLU 21 1HG GLU 21 3.355 -2.966 6.994 137 HG3 GLU 21 2HG GLU 21 4.000 -4.552 6.572 138 H THR 22 H THR 22 8.220 -3.210 6.834 139 HA THR 22 HA THR 22 9.320 -0.487 6.863 140 HB THR 22 HB THR 22 10.582 -0.970 8.913 141 HG1 THR 22 1HG THR 22 9.821 -3.466 8.420 142 HG21 THR 22 1HG2 THR 22 8.913 -0.194 10.200 143 HG22 THR 22 2HG2 THR 22 7.903 -1.608 9.899 144 HG23 THR 22 3HG2 THR 22 7.932 -0.282 8.738 145 H GLY 23 H GLY 23 11.433 -0.297 6.202 146 HA2 GLY 23 1HA GLY 23 13.595 -1.670 6.063 147 HA3 GLY 23 2HA GLY 23 12.616 -2.756 5.089 148 H LEU 24 H LEU 24 11.140 -0.626 3.777 149 HA LEU 24 HA LEU 24 12.668 -0.274 1.499 150 HB2 LEU 24 1HB LEU 24 10.496 1.577 2.468 151 HB3 LEU 24 2HB LEU 24 11.040 1.368 0.805 152 HG LEU 24 HG LEU 24 9.626 -0.721 2.461 153 HD11 LEU 24 1HD1 LEU 24 8.305 1.324 1.714 154 HD12 LEU 24 2HD1 LEU 24 7.678 -0.256 1.244 155 HD13 LEU 24 3HD1 LEU 24 8.544 0.735 0.069 156 HD21 LEU 24 1HD2 LEU 24 11.260 -0.981 0.182 157 HD22 LEU 24 2HD2 LEU 24 9.594 -1.171 -0.363 158 HD23 LEU 24 3HD2 LEU 24 10.224 -2.202 0.922 159 H LYS 25 H LYS 25 13.808 1.478 0.622 160 HA LYS 25 HA LYS 25 14.841 3.375 2.626 161 HB2 LYS 25 1HB LYS 25 16.196 2.257 0.165 162 HB3 LYS 25 2HB LYS 25 16.886 3.483 1.221 163 HG2 LYS 25 1HG LYS 25 17.178 1.983 2.977 164 HG3 LYS 25 2HG LYS 25 16.039 0.820 2.295 165 HD2 LYS 25 1HD LYS 25 17.562 0.037 0.746 166 HD3 LYS 25 2HD LYS 25 18.510 1.526 0.772 167 HE2 LYS 25 1HE LYS 25 19.673 0.914 2.640 168 HE3 LYS 25 2HE LYS 25 18.353 -0.067 3.274 169 HZ1 LYS 25 1HZ LYS 25 20.514 -0.804 1.490 170 HZ2 LYS 25 2HZ LYS 25 18.999 -1.429 1.072 171 HZ3 LYS 25 3HZ LYS 25 19.654 -1.750 2.598 172 H VAL 26 H VAL 26 15.738 5.424 1.574 173 HA VAL 26 HA VAL 26 13.611 6.720 0.204 174 HB VAL 26 HB VAL 26 15.112 7.894 1.782 175 HG11 VAL 26 1HG1 VAL 26 17.202 6.777 1.048 176 HG12 VAL 26 2HG1 VAL 26 17.162 7.748 -0.425 177 HG13 VAL 26 3HG1 VAL 26 17.343 8.532 1.145 178 HG21 VAL 26 1HG2 VAL 26 14.139 9.578 0.672 179 HG22 VAL 26 2HG2 VAL 26 15.693 9.750 -0.145 180 HG23 VAL 26 3HG2 VAL 26 14.400 8.817 -0.898 181 H ASN 27 H ASN 27 13.400 7.327 -1.903 182 HA ASN 27 HA ASN 27 13.687 7.318 -4.159 183 HB2 ASN 27 1HB ASN 27 16.628 7.027 -3.505 184 HB3 ASN 27 2HB ASN 27 15.951 7.541 -5.047 185 HD21 ASN 27 1HD2 ASN 27 14.677 9.529 -5.037 186 HD22 ASN 27 2HD2 ASN 27 15.127 10.796 -3.952 187 H GLN 28 H GLN 28 12.964 4.918 -3.006 188 HA GLN 28 HA GLN 28 14.351 2.978 -4.734 189 HB2 GLN 28 1HB GLN 28 13.484 2.745 -1.883 190 HB3 GLN 28 2HB GLN 28 13.454 1.310 -2.899 191 HG2 GLN 28 1HG GLN 28 15.873 3.045 -2.463 192 HG3 GLN 28 2HG GLN 28 15.529 1.556 -1.584 193 HE21 GLN 28 1HE2 GLN 28 15.821 -0.400 -2.579 194 HE22 GLN 28 2HE2 GLN 28 16.597 -0.574 -4.113 195 HA PRO 29 HA PRO 29 10.356 2.444 -6.549 196 HB2 PRO 29 1HB PRO 29 10.916 0.201 -7.973 197 HB3 PRO 29 2HB PRO 29 11.483 1.807 -8.447 198 HG2 PRO 29 1HG PRO 29 12.947 -0.370 -7.004 199 HG3 PRO 29 2HG PRO 29 13.514 0.682 -8.315 200 HD2 PRO 29 1HD PRO 29 14.144 1.120 -5.718 201 HD3 PRO 29 2HD PRO 29 13.941 2.440 -6.887 202 H ALA 30 H ALA 30 9.133 1.934 -4.697 203 HA ALA 30 HA ALA 30 9.108 -0.855 -3.814 204 HB1 ALA 30 1HB ALA 30 8.536 -0.076 -1.809 205 HB2 ALA 30 2HB ALA 30 8.865 1.537 -2.443 206 HB3 ALA 30 3HB ALA 30 7.223 0.894 -2.477 207 H SER 31 H SER 31 7.748 -2.221 -4.747 208 HA SER 31 HA SER 31 5.095 -1.248 -5.557 209 HB2 SER 31 1HB SER 31 5.179 -2.489 -7.615 210 HB3 SER 31 2HB SER 31 6.633 -1.495 -7.536 211 HG SER 31 HG SER 31 7.435 -3.622 -6.442 212 H PHE 32 H PHE 32 3.403 -2.666 -5.272 213 HA PHE 32 HA PHE 32 3.930 -5.382 -4.385 214 HB2 PHE 32 1HB PHE 32 2.267 -4.850 -2.404 215 HB3 PHE 32 2HB PHE 32 3.996 -4.566 -2.232 216 HD1 PHE 32 2HD PHE 32 4.840 -2.193 -2.773 217 HD2 PHE 32 1HD PHE 32 0.762 -3.141 -2.003 218 HE1 PHE 32 2HE PHE 32 4.398 0.165 -2.228 219 HE2 PHE 32 1HE PHE 32 0.314 -0.784 -1.457 220 HZ PHE 32 HZ PHE 32 2.133 0.872 -1.568 221 H ALA 33 H ALA 33 1.639 -6.351 -3.687 222 HA ALA 33 HA ALA 33 -0.295 -5.499 -5.744 223 HB1 ALA 33 1HB ALA 33 1.049 -7.870 -5.737 224 HB2 ALA 33 2HB ALA 33 -0.448 -8.301 -4.910 225 HB3 ALA 33 3HB ALA 33 -0.505 -7.590 -6.523 226 H VAL 34 H VAL 34 -2.396 -5.282 -5.157 227 HA VAL 34 HA VAL 34 -2.998 -5.615 -2.303 228 HB VAL 34 HB VAL 34 -4.430 -3.981 -4.403 229 HG11 VAL 34 1HG1 VAL 34 -6.115 -3.661 -2.979 230 HG12 VAL 34 2HG1 VAL 34 -5.468 -5.019 -2.055 231 HG13 VAL 34 3HG1 VAL 34 -5.018 -3.367 -1.631 232 HG21 VAL 34 1HG2 VAL 34 -2.186 -3.438 -2.635 233 HG22 VAL 34 2HG2 VAL 34 -2.780 -2.523 -4.021 234 HG23 VAL 34 3HG2 VAL 34 -3.508 -2.288 -2.432 235 H GLN 35 H GLN 35 -3.910 -7.520 -1.872 236 HA GLN 35 HA GLN 35 -5.456 -8.972 -3.794 237 HB2 GLN 35 1HB GLN 35 -4.043 -10.070 -2.072 238 HB3 GLN 35 2HB GLN 35 -5.141 -9.479 -0.831 239 HG2 GLN 35 1HG GLN 35 -5.861 -11.641 -1.144 240 HG3 GLN 35 2HG GLN 35 -6.957 -10.725 -2.178 241 HE21 GLN 35 1HE2 GLN 35 -4.235 -12.891 -2.088 242 HE22 GLN 35 2HE2 GLN 35 -4.298 -13.363 -3.748 243 H LEU 36 H LEU 36 -7.665 -9.492 -3.696 244 HA LEU 36 HA LEU 36 -9.285 -7.455 -2.346 245 HB2 LEU 36 1HB LEU 36 -10.235 -9.378 -4.448 246 HB3 LEU 36 2HB LEU 36 -10.968 -7.855 -3.949 247 HG LEU 36 HG LEU 36 -8.285 -7.941 -5.298 248 HD11 LEU 36 1HD1 LEU 36 -9.928 -9.123 -6.714 249 HD12 LEU 36 2HD1 LEU 36 -9.370 -7.608 -7.423 250 HD13 LEU 36 3HD1 LEU 36 -10.960 -7.693 -6.665 251 HD21 LEU 36 1HD2 LEU 36 -9.746 -5.919 -4.100 252 HD22 LEU 36 2HD2 LEU 36 -10.068 -5.715 -5.822 253 HD23 LEU 36 3HD2 LEU 36 -8.407 -5.719 -5.230 254 H ASN 37 H ASN 37 -8.848 -10.923 -2.657 255 HA ASN 37 HA ASN 37 -9.668 -12.692 -1.485 256 HB2 ASN 37 1HB ASN 37 -9.962 -10.519 0.593 257 HB3 ASN 37 2HB ASN 37 -10.242 -12.224 0.931 258 HD21 ASN 37 1HD2 ASN 37 -7.873 -9.804 0.155 259 HD22 ASN 37 2HD2 ASN 37 -6.483 -10.747 0.559 260 H GLY 38 H GLY 38 -11.473 -11.522 -3.264 261 HA2 GLY 38 1HA GLY 38 -13.734 -12.500 -3.455 262 HA3 GLY 38 2HA GLY 38 -14.025 -11.912 -1.825 263 H ALA 39 H ALA 39 -12.887 -9.350 -2.081 264 HA ALA 39 HA ALA 39 -15.050 -7.885 -3.071 265 HB1 ALA 39 1HB ALA 39 -13.184 -7.198 -1.422 266 HB2 ALA 39 2HB ALA 39 -12.310 -6.697 -2.870 267 HB3 ALA 39 3HB ALA 39 -13.872 -5.973 -2.488 268 H ARG 40 H ARG 40 -15.009 -6.264 -4.818 269 HA ARG 40 HA ARG 40 -13.172 -6.617 -6.997 270 HB2 ARG 40 1HB ARG 40 -14.557 -8.541 -7.439 271 HB3 ARG 40 2HB ARG 40 -16.021 -7.584 -7.262 272 HG2 ARG 40 1HG ARG 40 -15.884 -7.675 -9.530 273 HG3 ARG 40 2HG ARG 40 -14.953 -6.205 -9.235 274 HD2 ARG 40 1HD ARG 40 -12.918 -7.788 -9.128 275 HD3 ARG 40 2HD ARG 40 -13.977 -8.954 -9.922 276 HE ARG 40 HE ARG 40 -14.048 -6.519 -11.328 277 HH11 ARG 40 1HH1 ARG 40 -11.917 -9.192 -10.671 278 HH12 ARG 40 2HH1 ARG 40 -11.047 -9.035 -12.161 279 HH21 ARG 40 1HH2 ARG 40 -12.911 -6.301 -13.294 280 HH22 ARG 40 2HH2 ARG 40 -11.613 -7.389 -13.652 281 H GLY 41 H GLY 41 -12.816 -4.531 -7.412 282 HA2 GLY 41 1HA GLY 41 -14.878 -2.892 -8.503 283 HA3 GLY 41 2HA GLY 41 -14.469 -2.385 -6.871 284 H VAL 42 H VAL 42 -13.261 -0.615 -7.002 285 HA VAL 42 HA VAL 42 -10.977 -0.639 -8.864 286 HB VAL 42 HB VAL 42 -12.672 1.755 -8.138 287 HG11 VAL 42 1HG1 VAL 42 -10.668 2.771 -8.469 288 HG12 VAL 42 2HG1 VAL 42 -10.040 1.458 -9.466 289 HG13 VAL 42 3HG1 VAL 42 -11.165 2.629 -10.155 290 HG21 VAL 42 1HG2 VAL 42 -12.851 -0.201 -10.258 291 HG22 VAL 42 2HG2 VAL 42 -13.974 1.085 -9.817 292 HG23 VAL 42 3HG2 VAL 42 -12.623 1.426 -10.899 293 H ILE 43 H ILE 43 -9.055 -0.313 -7.950 294 HA ILE 43 HA ILE 43 -8.986 0.557 -5.146 295 HB ILE 43 HB ILE 43 -6.866 -0.878 -6.750 296 HG12 ILE 43 1HG1 ILE 43 -9.053 -2.102 -6.095 297 HG13 ILE 43 2HG1 ILE 43 -7.516 -2.872 -5.712 298 HG21 ILE 43 1HG2 ILE 43 -5.719 -1.163 -4.618 299 HG22 ILE 43 2HG2 ILE 43 -5.932 0.546 -4.998 300 HG23 ILE 43 3HG2 ILE 43 -6.977 -0.230 -3.808 301 HD11 ILE 43 1HD1 ILE 43 -9.414 -2.795 -3.946 302 HD12 ILE 43 2HD1 ILE 43 -7.745 -2.502 -3.456 303 HD13 ILE 43 3HD1 ILE 43 -8.849 -1.146 -3.681 304 H ASP 44 H ASP 44 -8.262 2.516 -4.669 305 HA ASP 44 HA ASP 44 -6.683 3.961 -6.689 306 HB2 ASP 44 1HB ASP 44 -8.372 5.072 -4.438 307 HB3 ASP 44 2HB ASP 44 -7.493 6.024 -5.630 308 H ALA 45 H ALA 45 -4.590 4.097 -6.264 309 HA ALA 45 HA ALA 45 -3.700 4.030 -3.461 310 HB1 ALA 45 1HB ALA 45 -2.842 2.236 -4.904 311 HB2 ALA 45 2HB ALA 45 -2.112 3.448 -5.958 312 HB3 ALA 45 3HB ALA 45 -1.552 3.273 -4.295 313 H ARG 46 H ARG 46 -2.637 5.709 -2.587 314 HA ARG 46 HA ARG 46 -1.362 7.709 -4.246 315 HB2 ARG 46 1HB ARG 46 -3.853 8.267 -2.656 316 HB3 ARG 46 2HB ARG 46 -2.681 9.537 -2.983 317 HG2 ARG 46 1HG ARG 46 -2.967 8.732 -5.461 318 HG3 ARG 46 2HG ARG 46 -4.499 8.105 -4.851 319 HD2 ARG 46 1HD ARG 46 -5.201 10.272 -4.161 320 HD3 ARG 46 2HD ARG 46 -3.597 10.948 -4.445 321 HE ARG 46 HE ARG 46 -4.121 11.167 -6.662 322 HH11 ARG 46 1HH1 ARG 46 -6.415 9.026 -5.152 323 HH12 ARG 46 2HH1 ARG 46 -7.451 8.947 -6.539 324 HH21 ARG 46 1HH2 ARG 46 -5.477 11.071 -8.494 325 HH22 ARG 46 2HH2 ARG 46 -6.916 10.110 -8.439 326 H VAL 47 H VAL 47 0.364 8.558 -3.247 327 HA VAL 47 HA VAL 47 0.736 7.910 -0.404 328 HB VAL 47 HB VAL 47 3.167 8.399 -0.880 329 HG11 VAL 47 1HG1 VAL 47 2.997 6.231 -2.635 330 HG12 VAL 47 2HG1 VAL 47 3.179 6.176 -0.881 331 HG13 VAL 47 3HG1 VAL 47 1.571 6.115 -1.604 332 HG21 VAL 47 1HG2 VAL 47 3.938 8.485 -3.140 333 HG22 VAL 47 2HG2 VAL 47 2.311 8.215 -3.764 334 HG23 VAL 47 3HG2 VAL 47 2.701 9.728 -2.947 335 H HIS 48 H HIS 48 1.156 9.458 1.094 336 HA HIS 48 HA HIS 48 1.004 12.250 0.171 337 HB2 HIS 48 1HB HIS 48 0.089 10.907 2.703 338 HB3 HIS 48 2HB HIS 48 0.331 12.650 2.631 339 HD1 HIS 48 1HD HIS 48 -1.500 14.025 1.592 340 HD2 HIS 48 2HD HIS 48 -2.000 9.949 0.961 341 HE1 HIS 48 1HE HIS 48 -3.790 13.777 0.583 342 HE2 HIS 48 2HE HIS 48 -4.104 11.295 0.289 343 H THR 49 H THR 49 2.919 13.212 0.136 344 HA THR 49 HA THR 49 5.194 12.278 1.540 345 HB THR 49 HB THR 49 6.335 14.262 0.725 346 HG1 THR 49 1HG THR 49 5.187 16.026 0.569 347 HG21 THR 49 1HG2 THR 49 4.618 13.728 -1.614 348 HG22 THR 49 2HG2 THR 49 5.317 12.306 -0.838 349 HG23 THR 49 3HG2 THR 49 6.366 13.592 -1.435 350 HA PRO 50 HA PRO 50 4.720 14.186 5.478 351 HB2 PRO 50 1HB PRO 50 7.330 14.353 6.208 352 HB3 PRO 50 2HB PRO 50 6.436 12.828 6.178 353 HG2 PRO 50 1HG PRO 50 8.329 13.953 4.151 354 HG3 PRO 50 2HG PRO 50 8.198 12.292 4.759 355 HD2 PRO 50 1HD PRO 50 7.156 13.060 2.380 356 HD3 PRO 50 2HD PRO 50 6.416 11.796 3.384 357 H SER 51 H SER 51 6.270 15.687 2.850 358 HA SER 51 HA SER 51 7.092 18.083 4.196 359 HB2 SER 51 1HB SER 51 6.737 17.432 1.263 360 HB3 SER 51 2HB SER 51 7.372 18.965 1.860 361 HG SER 51 HG SER 51 9.184 17.998 2.481 362 H GLY 52 H GLY 52 4.263 17.039 2.375 363 HA2 GLY 52 1HA GLY 52 2.172 18.131 3.286 364 HA3 GLY 52 2HA GLY 52 3.002 19.645 2.960 365 H ALA 53 H ALA 53 3.409 16.993 0.773 366 HA ALA 53 HA ALA 53 1.589 18.313 -1.135 367 HB1 ALA 53 1HB ALA 53 3.134 17.674 -2.931 368 HB2 ALA 53 2HB ALA 53 3.899 18.740 -1.753 369 HB3 ALA 53 3HB ALA 53 4.243 17.011 -1.731 370 H VAL 54 H VAL 54 0.002 17.069 -1.869 371 HA VAL 54 HA VAL 54 -0.083 14.267 -1.206 372 HB VAL 54 HB VAL 54 -2.028 15.976 -2.763 373 HG11 VAL 54 1HG1 VAL 54 -3.070 14.106 -3.344 374 HG12 VAL 54 2HG1 VAL 54 -1.851 13.141 -2.509 375 HG13 VAL 54 3HG1 VAL 54 -3.279 13.706 -1.640 376 HG21 VAL 54 1HG2 VAL 54 -2.228 16.815 -0.651 377 HG22 VAL 54 2HG2 VAL 54 -3.326 15.442 -0.515 378 HG23 VAL 54 3HG2 VAL 54 -1.683 15.323 0.115 379 H GLU 55 H GLU 55 1.187 12.965 -2.390 380 HA GLU 55 HA GLU 55 1.456 13.392 -5.259 381 HB2 GLU 55 1HB GLU 55 2.869 11.719 -3.224 382 HB3 GLU 55 2HB GLU 55 2.955 11.248 -4.916 383 HG2 GLU 55 1HG GLU 55 3.801 13.897 -3.764 384 HG3 GLU 55 2HG GLU 55 4.868 12.596 -4.289 385 H GLU 56 H GLU 56 1.446 11.313 -6.622 386 HA GLU 56 HA GLU 56 -0.902 9.696 -5.876 387 HB2 GLU 56 1HB GLU 56 -1.268 9.508 -8.391 388 HB3 GLU 56 2HB GLU 56 -1.631 11.062 -7.654 389 HG2 GLU 56 1HG GLU 56 0.607 11.861 -8.379 390 HG3 GLU 56 2HG GLU 56 0.820 10.338 -9.239 391 H CYS 57 H CYS 57 -0.946 7.518 -6.641 392 HA CYS 57 HA CYS 57 1.710 6.340 -6.744 393 HB2 CYS 57 1HB CYS 57 -1.034 5.090 -6.508 394 HB3 CYS 57 2HB CYS 57 0.474 4.184 -6.500 395 HG CYS 57 HG CYS 57 0.586 4.221 -3.940 396 H TYR 58 H TYR 58 1.676 4.190 -8.179 397 HA TYR 58 HA TYR 58 0.797 5.000 -10.874 398 HB2 TYR 58 1HB TYR 58 3.299 5.091 -10.424 399 HB3 TYR 58 2HB TYR 58 3.246 3.337 -10.286 400 HD1 TYR 58 1HD TYR 58 2.284 2.041 -12.307 401 HD2 TYR 58 2HD TYR 58 3.592 6.085 -12.510 402 HE1 TYR 58 1HE TYR 58 2.516 1.837 -14.747 403 HE2 TYR 58 2HE TYR 58 3.827 5.892 -14.950 404 HH TYR 58 HH TYR 58 3.905 3.012 -16.567 405 H VAL 59 H VAL 59 -0.962 3.777 -11.231 406 HA VAL 59 HA VAL 59 -0.639 0.861 -11.015 407 HB VAL 59 HB VAL 59 -2.048 1.372 -9.178 408 HG11 VAL 59 1HG1 VAL 59 -2.582 3.699 -10.106 409 HG12 VAL 59 2HG1 VAL 59 -3.935 2.918 -10.927 410 HG13 VAL 59 3HG1 VAL 59 -3.831 2.884 -9.166 411 HG21 VAL 59 1HG2 VAL 59 -2.886 -0.212 -11.270 412 HG22 VAL 59 2HG2 VAL 59 -3.566 -0.201 -9.643 413 HG23 VAL 59 3HG2 VAL 59 -4.305 0.772 -10.914 414 H SER 60 H SER 60 -1.140 -0.223 -12.812 415 HA SER 60 HA SER 60 -2.089 1.253 -15.114 416 HB2 SER 60 1HB SER 60 -0.247 -0.297 -15.435 417 HB3 SER 60 2HB SER 60 -1.212 -1.628 -14.797 418 HG SER 60 HG SER 60 -1.722 -1.905 -16.818 419 H GLU 61 H GLU 61 -2.993 -2.002 -13.993 420 HA GLU 61 HA GLU 61 -5.727 -1.405 -13.594 421 HB2 GLU 61 1HB GLU 61 -5.384 -1.260 -16.166 422 HB3 GLU 61 2HB GLU 61 -5.298 -3.014 -16.092 423 HG2 GLU 61 1HG GLU 61 -7.507 -3.209 -15.355 424 HG3 GLU 61 2HG GLU 61 -7.600 -1.506 -14.909 425 H LEU 62 H LEU 62 -7.013 -3.334 -13.152 426 HA LEU 62 HA LEU 62 -5.443 -5.329 -11.817 427 HB2 LEU 62 1HB LEU 62 -7.406 -4.699 -10.702 428 HB3 LEU 62 2HB LEU 62 -8.384 -4.851 -12.161 429 HG LEU 62 HG LEU 62 -7.116 -7.293 -11.007 430 HD11 LEU 62 1HD1 LEU 62 -8.085 -6.825 -9.028 431 HD12 LEU 62 2HD1 LEU 62 -9.544 -7.375 -9.852 432 HD13 LEU 62 3HD1 LEU 62 -9.200 -5.650 -9.726 433 HD21 LEU 62 1HD2 LEU 62 -9.882 -7.327 -11.947 434 HD22 LEU 62 2HD2 LEU 62 -8.524 -8.370 -12.372 435 HD23 LEU 62 3HD2 LEU 62 -8.721 -6.809 -13.170 436 H ASP 63 H ASP 63 -5.287 -7.512 -12.277 437 HA ASP 63 HA ASP 63 -6.330 -8.389 -14.884 438 HB2 ASP 63 1HB ASP 63 -3.883 -7.775 -14.981 439 HB3 ASP 63 2HB ASP 63 -3.579 -9.092 -13.851 440 H SER 64 H SER 64 -4.844 -9.464 -11.837 441 HA SER 64 HA SER 64 -6.595 -11.833 -11.934 442 HB2 SER 64 1HB SER 64 -4.392 -12.664 -12.260 443 HB3 SER 64 2HB SER 64 -3.727 -11.604 -11.018 444 HG SER 64 HG SER 64 -4.532 -14.065 -10.706 445 H ASP 65 H ASP 65 -7.976 -10.137 -10.798 446 HA ASP 65 HA ASP 65 -8.867 -9.202 -8.908 447 HB2 ASP 65 1HB ASP 65 -7.978 -11.938 -8.015 448 HB3 ASP 65 2HB ASP 65 -8.870 -10.859 -6.946 449 H LYS 66 H LYS 66 -6.192 -8.375 -9.396 450 HA LYS 66 HA LYS 66 -5.509 -7.475 -6.731 451 HB2 LYS 66 1HB LYS 66 -3.738 -9.285 -8.341 452 HB3 LYS 66 2HB LYS 66 -3.032 -8.100 -7.250 453 HG2 LYS 66 1HG LYS 66 -4.245 -9.083 -5.379 454 HG3 LYS 66 2HG LYS 66 -4.977 -10.263 -6.469 455 HD2 LYS 66 1HD LYS 66 -1.999 -10.007 -6.309 456 HD3 LYS 66 2HD LYS 66 -2.877 -10.922 -5.081 457 HE2 LYS 66 1HE LYS 66 -3.428 -11.458 -7.962 458 HE3 LYS 66 2HE LYS 66 -1.952 -12.098 -7.240 459 HZ1 LYS 66 1HZ LYS 66 -3.115 -13.711 -6.301 460 HZ2 LYS 66 2HZ LYS 66 -4.507 -13.166 -7.092 461 HZ3 LYS 66 3HZ LYS 66 -4.143 -12.605 -5.538 462 H HIS 67 H HIS 67 -4.355 -5.555 -6.714 463 HA HIS 67 HA HIS 67 -3.963 -4.314 -9.357 464 HB2 HIS 67 1HB HIS 67 -4.766 -3.113 -6.708 465 HB3 HIS 67 2HB HIS 67 -4.227 -2.134 -8.069 466 HD1 HIS 67 1HD HIS 67 -6.028 -1.359 -9.574 467 HD2 HIS 67 2HD HIS 67 -7.133 -4.765 -7.468 468 HE1 HIS 67 1HE HIS 67 -8.428 -1.784 -10.195 469 HE2 HIS 67 2HE HIS 67 -9.100 -3.800 -8.842 470 H THR 68 H THR 68 -1.998 -3.586 -9.891 471 HA THR 68 HA THR 68 0.161 -3.934 -7.959 472 HB THR 68 HB THR 68 0.431 -3.197 -10.875 473 HG1 THR 68 1HG THR 68 0.550 -5.387 -11.295 474 HG21 THR 68 1HG2 THR 68 2.593 -3.064 -10.342 475 HG22 THR 68 2HG2 THR 68 2.556 -4.794 -9.997 476 HG23 THR 68 3HG2 THR 68 2.277 -3.630 -8.703 477 H ILE 69 H ILE 69 1.271 -2.307 -7.052 478 HA ILE 69 HA ILE 69 0.730 0.428 -8.012 479 HB ILE 69 HB ILE 69 1.433 -0.159 -5.156 480 HG12 ILE 69 1HG1 ILE 69 -0.553 -1.528 -5.728 481 HG13 ILE 69 2HG1 ILE 69 -0.930 -0.245 -4.584 482 HG21 ILE 69 1HG2 ILE 69 -0.015 2.087 -6.550 483 HG22 ILE 69 2HG2 ILE 69 0.194 1.962 -4.804 484 HG23 ILE 69 3HG2 ILE 69 1.603 2.137 -5.850 485 HD11 ILE 69 1HD1 ILE 69 -2.648 -0.533 -6.316 486 HD12 ILE 69 2HD1 ILE 69 -1.923 1.075 -6.336 487 HD13 ILE 69 3HD1 ILE 69 -1.451 -0.120 -7.544 488 H ARG 70 H ARG 70 2.429 1.894 -8.022 489 HA ARG 70 HA ARG 70 5.070 0.984 -7.186 490 HB2 ARG 70 1HB ARG 70 4.492 0.432 -9.696 491 HB3 ARG 70 2HB ARG 70 4.838 2.139 -9.934 492 HG2 ARG 70 1HG ARG 70 7.069 1.852 -9.063 493 HG3 ARG 70 2HG ARG 70 6.731 0.162 -8.682 494 HD2 ARG 70 1HD ARG 70 7.815 -0.066 -10.690 495 HD3 ARG 70 2HD ARG 70 6.141 0.033 -11.234 496 HE ARG 70 HE ARG 70 6.735 1.905 -12.376 497 HH11 ARG 70 1HH1 ARG 70 8.871 1.576 -9.647 498 HH12 ARG 70 2HH1 ARG 70 9.808 2.978 -10.045 499 HH21 ARG 70 1HH2 ARG 70 7.961 3.753 -12.911 500 HH22 ARG 70 2HH2 ARG 70 9.289 4.216 -11.901 501 H PHE 71 H PHE 71 6.010 2.573 -6.102 502 HA PHE 71 HA PHE 71 5.956 5.290 -7.046 503 HB2 PHE 71 1HB PHE 71 5.021 6.207 -4.915 504 HB3 PHE 71 2HB PHE 71 3.847 5.322 -5.884 505 HD1 PHE 71 1HD PHE 71 6.270 4.754 -3.107 506 HD2 PHE 71 2HD PHE 71 2.504 3.782 -4.835 507 HE1 PHE 71 1HE PHE 71 5.751 3.332 -1.168 508 HE2 PHE 71 2HE PHE 71 1.978 2.360 -2.898 509 HZ PHE 71 HZ PHE 71 3.602 2.133 -1.061 510 H ILE 72 H ILE 72 7.563 6.571 -6.129 511 HA ILE 72 HA ILE 72 9.403 5.147 -4.318 512 HB ILE 72 HB ILE 72 10.022 7.069 -6.557 513 HG12 ILE 72 1HG1 ILE 72 11.066 4.280 -6.053 514 HG13 ILE 72 2HG1 ILE 72 9.649 4.612 -7.043 515 HG21 ILE 72 1HG2 ILE 72 12.446 6.260 -5.614 516 HG22 ILE 72 2HG2 ILE 72 11.682 7.804 -5.242 517 HG23 ILE 72 3HG2 ILE 72 11.526 6.451 -4.122 518 HD11 ILE 72 1HD1 ILE 72 10.937 5.768 -8.652 519 HD12 ILE 72 2HD1 ILE 72 12.349 5.801 -7.596 520 HD13 ILE 72 3HD1 ILE 72 11.799 4.274 -8.285 521 HA PRO 73 HA PRO 73 8.540 8.490 -1.523 522 HB2 PRO 73 1HB PRO 73 10.358 7.780 0.364 523 HB3 PRO 73 2HB PRO 73 8.815 6.944 0.154 524 HG2 PRO 73 1HG PRO 73 11.536 6.171 -0.825 525 HG3 PRO 73 2HG PRO 73 10.281 5.156 -0.091 526 HD2 PRO 73 1HD PRO 73 10.708 5.240 -2.763 527 HD3 PRO 73 2HD PRO 73 9.100 4.973 -2.061 528 H HIS 74 H HIS 74 9.361 10.154 -2.908 529 HA HIS 74 HA HIS 74 11.936 10.784 -3.536 530 HB2 HIS 74 1HB HIS 74 9.547 12.481 -2.922 531 HB3 HIS 74 2HB HIS 74 11.102 13.257 -3.205 532 HD1 HIS 74 1HD HIS 74 9.701 10.268 -5.068 533 HD2 HIS 74 2HD HIS 74 10.712 14.246 -5.716 534 HE1 HIS 74 1HE HIS 74 9.463 10.627 -7.546 535 HE2 HIS 74 2HE HIS 74 10.162 13.017 -7.925 536 H GLU 75 H GLU 75 10.251 11.958 -0.616 537 HA GLU 75 HA GLU 75 12.881 12.477 0.592 538 HB2 GLU 75 1HB GLU 75 11.456 14.437 0.494 539 HB3 GLU 75 2HB GLU 75 10.149 13.566 1.283 540 HG2 GLU 75 1HG GLU 75 11.248 15.054 2.840 541 HG3 GLU 75 2HG GLU 75 11.494 13.373 3.310 542 H ASN 76 H ASN 76 13.287 11.838 2.753 543 HA ASN 76 HA ASN 76 12.349 9.255 3.401 544 HB2 ASN 76 1HB ASN 76 14.137 11.261 4.680 545 HB3 ASN 76 2HB ASN 76 13.488 9.987 5.708 546 HD21 ASN 76 1HD2 ASN 76 13.463 7.822 4.137 547 HD22 ASN 76 2HD2 ASN 76 15.061 7.417 3.619 548 H GLY 77 H GLY 77 11.578 8.813 5.763 549 HA2 GLY 77 1HA GLY 77 10.198 9.600 7.590 550 HA3 GLY 77 2HA GLY 77 9.472 10.751 6.478 551 H VAL 78 H VAL 78 7.872 9.172 8.032 552 HA VAL 78 HA VAL 78 7.063 6.800 6.631 553 HB VAL 78 HB VAL 78 5.677 8.325 8.841 554 HG11 VAL 78 1HG1 VAL 78 3.959 7.086 7.926 555 HG12 VAL 78 2HG1 VAL 78 5.030 5.777 7.422 556 HG13 VAL 78 3HG1 VAL 78 4.607 5.966 9.124 557 HG21 VAL 78 1HG2 VAL 78 7.591 6.011 8.826 558 HG22 VAL 78 2HG2 VAL 78 7.700 7.526 9.723 559 HG23 VAL 78 3HG2 VAL 78 6.504 6.314 10.181 560 H HIS 79 H HIS 79 5.831 6.734 4.880 561 HA HIS 79 HA HIS 79 4.280 9.096 4.130 562 HB2 HIS 79 1HB HIS 79 4.985 6.615 2.550 563 HB3 HIS 79 2HB HIS 79 4.093 7.996 1.919 564 HD1 HIS 79 1HD HIS 79 7.044 8.558 4.139 565 HD2 HIS 79 2HD HIS 79 6.130 8.585 0.086 566 HE1 HIS 79 1HE HIS 79 9.020 9.630 3.011 567 HE2 HIS 79 2HE HIS 79 8.407 9.712 0.569 568 H SER 80 H SER 80 2.087 8.932 3.452 569 HA SER 80 HA SER 80 0.648 6.753 4.802 570 HB2 SER 80 1HB SER 80 -0.019 9.617 4.227 571 HB3 SER 80 2HB SER 80 -1.325 8.450 4.432 572 HG SER 80 HG SER 80 0.036 7.894 6.434 573 H ILE 81 H ILE 81 -0.083 5.198 3.529 574 HA ILE 81 HA ILE 81 -0.546 5.734 0.696 575 HB ILE 81 HB ILE 81 -0.814 3.037 1.986 576 HG12 ILE 81 1HG1 ILE 81 1.371 4.167 2.635 577 HG13 ILE 81 2HG1 ILE 81 1.519 2.627 1.795 578 HG21 ILE 81 1HG2 ILE 81 0.022 2.328 -0.268 579 HG22 ILE 81 2HG2 ILE 81 -1.548 3.129 -0.276 580 HG23 ILE 81 3HG2 ILE 81 -0.106 4.013 -0.773 581 HD11 ILE 81 1HD1 ILE 81 2.222 3.648 -0.183 582 HD12 ILE 81 2HD1 ILE 81 1.664 5.239 0.337 583 HD13 ILE 81 3HD1 ILE 81 3.077 4.508 1.097 584 H ASP 82 H ASP 82 -2.510 6.518 0.266 585 HA ASP 82 HA ASP 82 -4.820 5.716 1.821 586 HB2 ASP 82 1HB ASP 82 -4.555 8.064 1.124 587 HB3 ASP 82 2HB ASP 82 -4.618 7.566 -0.565 588 H VAL 83 H VAL 83 -5.719 3.812 1.384 589 HA VAL 83 HA VAL 83 -5.965 2.992 -1.437 590 HB VAL 83 HB VAL 83 -5.930 1.224 1.013 591 HG11 VAL 83 1HG1 VAL 83 -6.803 0.782 -1.701 592 HG12 VAL 83 2HG1 VAL 83 -5.462 -0.286 -1.283 593 HG13 VAL 83 3HG1 VAL 83 -6.923 -0.276 -0.296 594 HG21 VAL 83 1HG2 VAL 83 -3.717 1.663 0.855 595 HG22 VAL 83 2HG2 VAL 83 -3.796 0.449 -0.422 596 HG23 VAL 83 3HG2 VAL 83 -3.824 2.164 -0.832 597 H LYS 84 H LYS 84 -7.943 3.636 -2.065 598 HA LYS 84 HA LYS 84 -10.222 3.134 -0.283 599 HB2 LYS 84 1HB LYS 84 -9.753 5.021 -2.563 600 HB3 LYS 84 2HB LYS 84 -11.397 4.562 -2.138 601 HG2 LYS 84 1HG LYS 84 -10.804 5.288 0.234 602 HG3 LYS 84 2HG LYS 84 -9.387 6.054 -0.488 603 HD2 LYS 84 1HD LYS 84 -10.781 7.430 -1.887 604 HD3 LYS 84 2HD LYS 84 -12.231 6.580 -1.347 605 HE2 LYS 84 1HE LYS 84 -11.536 7.346 1.011 606 HE3 LYS 84 2HE LYS 84 -10.481 8.483 0.174 607 HZ1 LYS 84 1HZ LYS 84 -12.668 9.420 0.750 608 HZ2 LYS 84 2HZ LYS 84 -13.411 8.284 -0.258 609 HZ3 LYS 84 3HZ LYS 84 -12.369 9.444 -0.915 610 H PHE 85 H PHE 85 -12.153 2.183 -1.141 611 HA PHE 85 HA PHE 85 -11.865 0.714 -3.653 612 HB2 PHE 85 1HB PHE 85 -11.123 -0.736 -1.711 613 HB3 PHE 85 2HB PHE 85 -12.781 -0.659 -1.125 614 HD1 PHE 85 1HD PHE 85 -10.941 -1.428 -4.280 615 HD2 PHE 85 2HD PHE 85 -14.176 -2.387 -1.685 616 HE1 PHE 85 1HE PHE 85 -11.534 -3.327 -5.727 617 HE2 PHE 85 2HE PHE 85 -14.774 -4.288 -3.128 618 HZ PHE 85 HZ PHE 85 -13.452 -4.761 -5.151 619 H ASN 86 H ASN 86 -13.544 1.392 -4.807 620 HA ASN 86 HA ASN 86 -15.637 2.090 -5.386 621 HB2 ASN 86 1HB ASN 86 -16.168 -0.175 -3.478 622 HB3 ASN 86 2HB ASN 86 -17.493 0.685 -4.258 623 HD21 ASN 86 1HD2 ASN 86 -16.735 -2.082 -4.539 624 HD22 ASN 86 2HD2 ASN 86 -16.381 -2.331 -6.211 625 H GLY 87 H GLY 87 -14.525 3.856 -3.654 626 HA2 GLY 87 1HA GLY 87 -15.120 5.647 -2.343 627 HA3 GLY 87 2HA GLY 87 -16.794 5.165 -2.576 628 H ALA 88 H ALA 88 -13.959 3.788 -0.902 629 HA ALA 88 HA ALA 88 -15.174 4.066 1.671 630 HB1 ALA 88 1HB ALA 88 -15.771 1.893 2.179 631 HB2 ALA 88 2HB ALA 88 -16.308 2.042 0.505 632 HB3 ALA 88 3HB ALA 88 -14.797 1.210 0.876 633 H HIS 89 H HIS 89 -13.725 3.733 3.340 634 HA HIS 89 HA HIS 89 -10.943 3.468 2.514 635 HB2 HIS 89 1HB HIS 89 -12.362 4.613 4.863 636 HB3 HIS 89 2HB HIS 89 -10.739 3.987 5.134 637 HD1 HIS 89 1HD HIS 89 -8.779 5.251 4.020 638 HD2 HIS 89 2HD HIS 89 -12.508 6.947 3.326 639 HE1 HIS 89 1HE HIS 89 -8.314 7.533 3.071 640 HE2 HIS 89 2HE HIS 89 -10.584 8.572 2.738 641 H ILE 90 H ILE 90 -9.774 1.689 2.814 642 HA ILE 90 HA ILE 90 -10.947 -0.663 3.921 643 HB ILE 90 HB ILE 90 -8.881 -1.778 3.394 644 HG12 ILE 90 1HG1 ILE 90 -7.601 0.790 2.530 645 HG13 ILE 90 2HG1 ILE 90 -7.534 0.319 4.224 646 HG21 ILE 90 1HG2 ILE 90 -9.616 0.254 1.291 647 HG22 ILE 90 2HG2 ILE 90 -8.663 -1.201 1.003 648 HG23 ILE 90 3HG2 ILE 90 -10.343 -1.336 1.523 649 HD11 ILE 90 1HD1 ILE 90 -5.707 -0.816 3.689 650 HD12 ILE 90 2HD1 ILE 90 -6.773 -1.965 2.881 651 HD13 ILE 90 3HD1 ILE 90 -6.023 -0.661 1.962 652 HA PRO 91 HA PRO 91 -9.696 -0.406 8.125 653 HB2 PRO 91 1HB PRO 91 -9.372 -3.038 8.707 654 HB3 PRO 91 2HB PRO 91 -10.959 -2.293 8.479 655 HG2 PRO 91 1HG PRO 91 -9.329 -3.904 6.554 656 HG3 PRO 91 2HG PRO 91 -11.070 -3.979 6.882 657 HD2 PRO 91 1HD PRO 91 -10.047 -2.684 4.736 658 HD3 PRO 91 2HD PRO 91 -11.526 -2.148 5.558 659 H GLY 92 H GLY 92 -7.713 0.543 8.316 660 HA2 GLY 92 1HA GLY 92 -5.525 -0.215 9.326 661 HA3 GLY 92 2HA GLY 92 -5.355 -1.176 7.865 662 H SER 93 H SER 93 -6.659 1.114 6.349 663 HA SER 93 HA SER 93 -4.177 2.483 5.760 664 HB2 SER 93 1HB SER 93 -5.199 2.074 3.754 665 HB3 SER 93 2HB SER 93 -6.821 2.178 4.438 666 HG SER 93 HG SER 93 -6.857 4.266 4.065 667 HA PRO 94 HA PRO 94 -3.826 4.424 4.445 668 HB2 PRO 94 1HB PRO 94 -1.943 6.221 5.217 669 HB3 PRO 94 2HB PRO 94 -3.444 6.690 4.409 670 HG2 PRO 94 1HG PRO 94 -2.762 6.754 7.323 671 HG3 PRO 94 2HG PRO 94 -3.611 7.965 6.346 672 HD2 PRO 94 1HD PRO 94 -4.912 6.226 7.962 673 HD3 PRO 94 2HD PRO 94 -5.613 6.827 6.446 674 H PHE 95 H PHE 95 -2.028 3.175 4.187 675 HA PHE 95 HA PHE 95 -1.057 1.764 6.498 676 HB2 PHE 95 1HB PHE 95 -0.487 1.570 3.546 677 HB3 PHE 95 2HB PHE 95 0.410 0.623 4.728 678 HD1 PHE 95 1HD PHE 95 -1.255 -0.554 6.520 679 HD2 PHE 95 2HD PHE 95 -2.207 0.489 2.505 680 HE1 PHE 95 1HE PHE 95 -3.031 -2.257 6.503 681 HE2 PHE 95 2HE PHE 95 -3.985 -1.211 2.481 682 HZ PHE 95 HZ PHE 95 -4.400 -2.586 4.482 683 H LYS 96 H LYS 96 0.304 2.847 7.788 684 HA LYS 96 HA LYS 96 2.168 4.787 6.850 685 HB2 LYS 96 1HB LYS 96 1.889 3.385 9.512 686 HB3 LYS 96 2HB LYS 96 3.046 4.673 9.203 687 HG2 LYS 96 1HG LYS 96 0.106 5.050 8.750 688 HG3 LYS 96 2HG LYS 96 0.852 5.300 10.331 689 HD2 LYS 96 1HD LYS 96 2.403 6.929 9.288 690 HD3 LYS 96 2HD LYS 96 1.539 6.729 7.762 691 HE2 LYS 96 1HE LYS 96 -0.462 7.632 8.692 692 HE3 LYS 96 2HE LYS 96 0.210 7.598 10.322 693 HZ1 LYS 96 1HZ LYS 96 1.285 9.263 8.111 694 HZ2 LYS 96 2HZ LYS 96 1.755 9.305 9.736 695 HZ3 LYS 96 3HZ LYS 96 0.209 9.827 9.288 696 H ILE 97 H ILE 97 3.777 4.142 5.550 697 HA ILE 97 HA ILE 97 5.283 1.722 6.276 698 HB ILE 97 HB ILE 97 6.206 1.845 3.965 699 HG12 ILE 97 1HG1 ILE 97 4.054 3.914 3.494 700 HG13 ILE 97 2HG1 ILE 97 5.754 4.315 3.713 701 HG21 ILE 97 1HG2 ILE 97 3.201 1.698 4.169 702 HG22 ILE 97 2HG2 ILE 97 4.176 1.038 2.857 703 HG23 ILE 97 3HG2 ILE 97 4.332 0.383 4.487 704 HD11 ILE 97 1HD1 ILE 97 5.190 4.279 1.369 705 HD12 ILE 97 2HD1 ILE 97 6.303 2.962 1.741 706 HD13 ILE 97 3HD1 ILE 97 4.586 2.628 1.512 707 H ARG 98 H ARG 98 7.380 1.830 6.836 708 HA ARG 98 HA ARG 98 8.538 4.452 7.252 709 HB2 ARG 98 1HB ARG 98 8.638 2.562 8.936 710 HB3 ARG 98 2HB ARG 98 9.788 1.775 7.864 711 HG2 ARG 98 1HG ARG 98 10.321 4.573 8.718 712 HG3 ARG 98 2HG ARG 98 10.591 3.262 9.868 713 HD2 ARG 98 1HD ARG 98 12.054 2.154 8.234 714 HD3 ARG 98 2HD ARG 98 11.802 3.493 7.115 715 HE ARG 98 HE ARG 98 13.354 4.689 8.281 716 HH11 ARG 98 1HH1 ARG 98 12.194 2.102 10.300 717 HH12 ARG 98 2HH1 ARG 98 13.323 2.416 11.576 718 HH21 ARG 98 1HH2 ARG 98 14.846 5.113 9.953 719 HH22 ARG 98 2HH2 ARG 98 14.831 4.129 11.378 720 H VAL 99 H VAL 99 10.238 5.322 6.182 721 HA VAL 99 HA VAL 99 11.489 3.705 4.061 722 HB VAL 99 HB VAL 99 10.619 6.590 3.850 723 HG11 VAL 99 1HG1 VAL 99 12.824 5.448 2.665 724 HG12 VAL 99 2HG1 VAL 99 11.576 5.293 1.426 725 HG13 VAL 99 3HG1 VAL 99 11.966 6.879 2.093 726 HG21 VAL 99 1HG2 VAL 99 9.668 4.064 2.516 727 HG22 VAL 99 2HG2 VAL 99 8.743 5.155 3.547 728 HG23 VAL 99 3HG2 VAL 99 9.257 5.681 1.944 729 H GLY 100 H GLY 100 13.436 3.341 5.017 730 HA2 GLY 100 1HA GLY 100 15.582 4.883 4.822 731 HA3 GLY 100 2HA GLY 100 14.859 5.558 6.275 732 H GLU 101 H GLU 101 17.279 3.703 5.415 733 HA GLU 101 HA GLU 101 16.903 1.397 7.081 734 HB2 GLU 101 1HB GLU 101 19.232 0.891 6.567 735 HB3 GLU 101 2HB GLU 101 18.357 1.322 5.104 736 HG2 GLU 101 1HG GLU 101 20.262 2.517 4.788 737 HG3 GLU 101 2HG GLU 101 19.296 3.717 5.645 738 H GLN 102 H GLN 102 17.493 1.089 9.155 739 HA GLN 102 HA GLN 102 17.865 3.253 10.876 740 HB2 GLN 102 1HB GLN 102 18.499 0.328 11.292 741 HB3 GLN 102 2HB GLN 102 18.479 1.530 12.575 742 HG2 GLN 102 1HG GLN 102 16.172 1.811 12.445 743 HG3 GLN 102 2HG GLN 102 16.081 1.080 10.843 744 HE21 GLN 102 1HE2 GLN 102 15.774 0.580 14.153 745 HE22 GLN 102 2HE2 GLN 102 15.637 -1.142 14.138 746 H SER 103 H SER 103 19.690 3.824 12.195 747 HA SER 103 HA SER 103 21.937 4.600 10.975 748 HB2 SER 103 1HB SER 103 21.957 3.439 13.770 749 HB3 SER 103 2HB SER 103 23.074 4.638 13.119 750 HG SER 103 HG SER 103 21.652 6.140 13.489 751 H GLN 104 H GLN 104 23.889 3.809 10.327 752 HA GLN 104 HA GLN 104 24.385 0.936 10.713 753 HB2 GLN 104 1HB GLN 104 25.147 0.746 8.403 754 HB3 GLN 104 2HB GLN 104 23.475 1.288 8.460 755 HG2 GLN 104 1HG GLN 104 24.070 3.499 7.888 756 HG3 GLN 104 2HG GLN 104 25.783 3.182 8.157 757 HE21 GLN 104 1HE2 GLN 104 23.068 2.664 6.034 758 HE22 GLN 104 2HE2 GLN 104 23.986 2.182 4.653 759 H ALA 105 H ALA 105 26.417 0.409 11.269 760 HA ALA 105 HA ALA 105 28.517 2.449 10.977 761 HB1 ALA 105 1HB ALA 105 28.681 2.693 13.173 762 HB2 ALA 105 2HB ALA 105 27.375 1.533 13.416 763 HB3 ALA 105 3HB ALA 105 29.046 0.974 13.333 764 H GLY 106 H GLY 106 30.731 1.357 11.623 765 HA2 GLY 106 1HA GLY 106 32.218 -0.434 11.393 766 HA3 GLY 106 2HA GLY 106 30.888 -1.437 10.834 767 H SER 107 H SER 107 33.719 -0.173 9.893 768 HA SER 107 HA SER 107 32.861 0.260 7.112 769 HB2 SER 107 1HB SER 107 34.196 2.061 8.361 770 HB3 SER 107 2HB SER 107 35.571 0.965 8.233 771 HG SER 107 HG SER 107 34.788 0.981 5.854 772 H GLY 108 H GLY 108 35.524 -1.204 8.983 773 HA2 GLY 108 1HA GLY 108 35.431 -3.683 7.683 774 HA3 GLY 108 2HA GLY 108 36.602 -2.680 6.839 775 HA PRO 109 HA PRO 109 38.165 -3.461 11.383 776 HB2 PRO 109 1HB PRO 109 37.141 -5.692 12.542 777 HB3 PRO 109 2HB PRO 109 36.420 -4.091 12.739 778 HG2 PRO 109 1HG PRO 109 35.621 -6.314 10.900 779 HG3 PRO 109 2HG PRO 109 34.596 -5.253 11.885 780 HD2 PRO 109 1HD PRO 109 34.971 -4.864 9.232 781 HD3 PRO 109 2HD PRO 109 34.710 -3.523 10.367 782 H SER 110 H SER 110 37.399 -5.957 9.069 783 HA SER 110 HA SER 110 39.425 -7.798 9.818 784 HB2 SER 110 1HB SER 110 38.844 -9.003 7.891 785 HB3 SER 110 2HB SER 110 37.347 -8.171 8.312 786 HG SER 110 HG SER 110 37.610 -7.774 6.185 787 H SER 111 H SER 111 41.182 -8.418 8.180 788 HA SER 111 HA SER 111 43.112 -6.440 8.090 789 HB2 SER 111 1HB SER 111 43.367 -8.985 7.782 790 HB3 SER 111 2HB SER 111 43.036 -8.681 6.077 791 HG SER 111 HG SER 111 45.344 -8.551 7.184 792 H GLY 112 H GLY 112 41.211 -7.667 5.326 793 HA2 GLY 112 1HA GLY 112 42.075 -5.455 3.672 794 HA3 GLY 112 2HA GLY 112 40.990 -6.754 3.198 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -27.671 -3.611 15.021 2 HA2 GLY 1 1HA GLY 1 -25.928 -3.927 17.278 3 HA3 GLY 1 2HA GLY 1 -26.234 -5.448 16.452 4 H SER 2 H SER 2 -24.645 -5.965 15.120 5 HA SER 2 HA SER 2 -23.187 -3.800 13.759 6 HB2 SER 2 1HB SER 2 -22.058 -5.593 15.343 7 HB3 SER 2 2HB SER 2 -22.120 -6.591 13.890 8 HG SER 2 HG SER 2 -21.152 -4.537 12.907 9 H SER 3 H SER 3 -24.279 -7.152 13.230 10 HA SER 3 HA SER 3 -24.293 -6.647 10.343 11 HB2 SER 3 1HB SER 3 -24.675 -9.277 11.790 12 HB3 SER 3 2HB SER 3 -24.396 -9.049 10.064 13 HG SER 3 HG SER 3 -22.346 -8.071 10.714 14 H GLY 4 H GLY 4 -26.146 -5.855 9.590 15 HA2 GLY 4 1HA GLY 4 -28.621 -7.270 10.185 16 HA3 GLY 4 2HA GLY 4 -28.572 -5.577 10.656 17 H SER 5 H SER 5 -27.350 -7.295 7.788 18 HA SER 5 HA SER 5 -27.534 -6.800 5.567 19 HB2 SER 5 1HB SER 5 -30.310 -6.711 6.653 20 HB3 SER 5 2HB SER 5 -30.057 -6.158 4.998 21 HG SER 5 HG SER 5 -30.306 -8.626 5.799 22 H SER 6 H SER 6 -26.490 -4.682 7.006 23 HA SER 6 HA SER 6 -27.754 -2.328 5.766 24 HB2 SER 6 1HB SER 6 -26.658 -0.982 7.498 25 HB3 SER 6 2HB SER 6 -27.652 -2.241 8.230 26 HG SER 6 HG SER 6 -24.878 -2.556 7.762 27 H GLY 7 H GLY 7 -26.742 -2.429 3.771 28 HA2 GLY 7 1HA GLY 7 -25.091 -1.982 2.242 29 HA3 GLY 7 2HA GLY 7 -24.224 -1.193 3.551 30 H SER 8 H SER 8 -23.311 -2.951 1.320 31 HA SER 8 HA SER 8 -22.386 -5.347 2.667 32 HB2 SER 8 1HB SER 8 -23.093 -5.227 0.212 33 HB3 SER 8 2HB SER 8 -21.560 -4.405 -0.079 34 HG SER 8 HG SER 8 -21.449 -6.693 -0.391 35 H ASP 9 H ASP 9 -20.206 -5.871 3.029 36 HA ASP 9 HA ASP 9 -18.305 -3.632 2.903 37 HB2 ASP 9 1HB ASP 9 -18.880 -5.410 5.275 38 HB3 ASP 9 2HB ASP 9 -17.414 -4.442 5.137 39 H ASP 10 H ASP 10 -17.374 -4.619 1.073 40 HA ASP 10 HA ASP 10 -16.105 -7.229 1.507 41 HB2 ASP 10 1HB ASP 10 -16.221 -5.725 -1.103 42 HB3 ASP 10 2HB ASP 10 -15.933 -7.444 -0.848 43 H ALA 11 H ALA 11 -15.438 -3.867 1.203 44 HA ALA 11 HA ALA 11 -12.794 -3.897 0.303 45 HB1 ALA 11 1HB ALA 11 -13.101 -1.847 2.260 46 HB2 ALA 11 2HB ALA 11 -13.072 -1.706 0.502 47 HB3 ALA 11 3HB ALA 11 -14.598 -1.986 1.339 48 H ARG 12 H ARG 12 -14.154 -4.749 3.378 49 HA ARG 12 HA ARG 12 -11.888 -4.453 5.008 50 HB2 ARG 12 1HB ARG 12 -12.999 -6.133 6.479 51 HB3 ARG 12 2HB ARG 12 -14.049 -4.805 6.003 52 HG2 ARG 12 1HG ARG 12 -15.351 -6.135 4.656 53 HG3 ARG 12 2HG ARG 12 -14.068 -7.321 4.406 54 HD2 ARG 12 1HD ARG 12 -14.487 -8.393 6.385 55 HD3 ARG 12 2HD ARG 12 -15.119 -6.942 7.161 56 HE ARG 12 HE ARG 12 -16.838 -7.779 5.075 57 HH11 ARG 12 1HH1 ARG 12 -15.858 -8.594 8.314 58 HH12 ARG 12 2HH1 ARG 12 -17.363 -9.351 8.719 59 HH21 ARG 12 1HH2 ARG 12 -18.824 -8.772 5.596 60 HH22 ARG 12 2HH2 ARG 12 -19.049 -9.453 7.172 61 H ARG 13 H ARG 13 -12.658 -6.759 2.575 62 HA ARG 13 HA ARG 13 -10.875 -8.810 3.511 63 HB2 ARG 13 1HB ARG 13 -12.072 -8.466 0.757 64 HB3 ARG 13 2HB ARG 13 -11.369 -9.934 1.422 65 HG2 ARG 13 1HG ARG 13 -13.174 -10.326 2.812 66 HG3 ARG 13 2HG ARG 13 -13.700 -8.642 2.771 67 HD2 ARG 13 1HD ARG 13 -14.565 -8.861 0.589 68 HD3 ARG 13 2HD ARG 13 -13.731 -10.393 0.329 69 HE ARG 13 HE ARG 13 -16.283 -10.029 1.522 70 HH11 ARG 13 1HH1 ARG 13 -13.409 -11.988 1.667 71 HH12 ARG 13 2HH1 ARG 13 -14.230 -13.375 2.305 72 HH21 ARG 13 1HH2 ARG 13 -17.374 -11.847 2.361 73 HH22 ARG 13 2HH2 ARG 13 -16.485 -13.294 2.699 74 H LEU 14 H LEU 14 -10.565 -5.915 1.710 75 HA LEU 14 HA LEU 14 -8.337 -6.553 0.105 76 HB2 LEU 14 1HB LEU 14 -9.087 -3.882 1.285 77 HB3 LEU 14 2HB LEU 14 -8.004 -4.152 -0.079 78 HG LEU 14 HG LEU 14 -10.961 -4.757 -0.051 79 HD11 LEU 14 1HD1 LEU 14 -10.666 -2.850 -1.903 80 HD12 LEU 14 2HD1 LEU 14 -9.387 -2.368 -0.789 81 HD13 LEU 14 3HD1 LEU 14 -11.049 -2.504 -0.216 82 HD21 LEU 14 1HD2 LEU 14 -10.139 -4.635 -2.655 83 HD22 LEU 14 2HD2 LEU 14 -10.396 -6.118 -1.735 84 HD23 LEU 14 3HD2 LEU 14 -8.775 -5.433 -1.871 85 H THR 15 H THR 15 -6.275 -6.883 0.605 86 HA THR 15 HA THR 15 -5.145 -5.674 3.013 87 HB THR 15 HB THR 15 -5.862 -7.852 3.803 88 HG1 THR 15 1HG THR 15 -3.064 -8.023 3.334 89 HG21 THR 15 1HG2 THR 15 -5.256 -9.906 2.800 90 HG22 THR 15 2HG2 THR 15 -4.102 -9.126 1.719 91 HG23 THR 15 3HG2 THR 15 -5.833 -8.888 1.481 92 H VAL 16 H VAL 16 -2.744 -5.979 3.102 93 HA VAL 16 HA VAL 16 -1.576 -6.257 0.414 94 HB VAL 16 HB VAL 16 -0.514 -4.233 2.356 95 HG11 VAL 16 1HG1 VAL 16 0.359 -3.199 0.331 96 HG12 VAL 16 2HG1 VAL 16 0.865 -4.886 0.439 97 HG13 VAL 16 3HG1 VAL 16 -0.441 -4.423 -0.654 98 HG21 VAL 16 1HG2 VAL 16 -2.438 -3.099 2.210 99 HG22 VAL 16 2HG2 VAL 16 -1.949 -2.747 0.553 100 HG23 VAL 16 3HG2 VAL 16 -3.033 -4.099 0.884 101 H THR 17 H THR 17 0.026 -7.680 0.347 102 HA THR 17 HA THR 17 1.337 -8.438 2.870 103 HB THR 17 HB THR 17 1.308 -10.064 0.329 104 HG1 THR 17 1HG THR 17 -0.365 -11.273 1.494 105 HG21 THR 17 1HG2 THR 17 2.690 -11.399 1.455 106 HG22 THR 17 2HG2 THR 17 1.453 -11.619 2.693 107 HG23 THR 17 3HG2 THR 17 2.630 -10.314 2.844 108 H SER 18 H SER 18 2.202 -8.568 -0.589 109 HA SER 18 HA SER 18 4.867 -8.628 -0.531 110 HB2 SER 18 1HB SER 18 3.104 -6.907 -2.272 111 HB3 SER 18 2HB SER 18 4.845 -7.020 -2.527 112 HG SER 18 HG SER 18 4.604 -8.962 -3.317 113 H LEU 19 H LEU 19 2.969 -5.687 0.033 114 HA LEU 19 HA LEU 19 4.763 -3.709 0.180 115 HB2 LEU 19 1HB LEU 19 2.464 -3.364 0.788 116 HB3 LEU 19 2HB LEU 19 2.656 -4.351 2.235 117 HG LEU 19 HG LEU 19 4.271 -2.607 3.075 118 HD11 LEU 19 1HD1 LEU 19 4.589 -0.613 2.010 119 HD12 LEU 19 2HD1 LEU 19 3.051 -0.694 1.153 120 HD13 LEU 19 3HD1 LEU 19 4.413 -1.675 0.613 121 HD21 LEU 19 1HD2 LEU 19 2.434 -2.173 4.254 122 HD22 LEU 19 2HD2 LEU 19 1.382 -2.513 2.880 123 HD23 LEU 19 3HD2 LEU 19 2.083 -0.906 3.079 124 H GLN 20 H GLN 20 6.137 -2.785 1.794 125 HA GLN 20 HA GLN 20 7.149 -4.717 3.771 126 HB2 GLN 20 1HB GLN 20 8.608 -4.418 1.698 127 HB3 GLN 20 2HB GLN 20 8.914 -2.785 2.276 128 HG2 GLN 20 1HG GLN 20 9.995 -3.579 4.225 129 HG3 GLN 20 2HG GLN 20 9.454 -5.231 3.933 130 HE21 GLN 20 1HE2 GLN 20 10.489 -6.475 2.387 131 HE22 GLN 20 2HE2 GLN 20 12.018 -6.033 1.714 132 H GLU 21 H GLU 21 6.042 -3.736 5.461 133 HA GLU 21 HA GLU 21 5.749 -1.076 6.039 134 HB2 GLU 21 1HB GLU 21 6.289 -3.304 8.011 135 HB3 GLU 21 2HB GLU 21 5.615 -1.732 8.418 136 HG2 GLU 21 1HG GLU 21 3.605 -2.175 7.311 137 HG3 GLU 21 2HG GLU 21 4.293 -3.534 6.424 138 H THR 22 H THR 22 8.517 -3.142 6.842 139 HA THR 22 HA THR 22 10.130 -0.711 7.192 140 HB THR 22 HB THR 22 11.404 -2.036 8.996 141 HG1 THR 22 1HG THR 22 9.892 -3.942 8.414 142 HG21 THR 22 1HG2 THR 22 10.073 -1.105 10.729 143 HG22 THR 22 2HG2 THR 22 8.613 -1.180 9.742 144 HG23 THR 22 3HG2 THR 22 9.893 -0.036 9.339 145 H GLY 23 H GLY 23 11.693 -0.735 5.720 146 HA2 GLY 23 1HA GLY 23 13.794 -2.334 5.424 147 HA3 GLY 23 2HA GLY 23 12.572 -3.267 4.573 148 H LEU 24 H LEU 24 11.290 -0.635 3.759 149 HA LEU 24 HA LEU 24 12.611 -0.420 1.243 150 HB2 LEU 24 1HB LEU 24 10.512 1.394 2.420 151 HB3 LEU 24 2HB LEU 24 10.952 1.258 0.719 152 HG LEU 24 HG LEU 24 9.621 -0.889 2.371 153 HD11 LEU 24 1HD1 LEU 24 7.613 -0.326 1.396 154 HD12 LEU 24 2HD1 LEU 24 8.379 0.516 0.049 155 HD13 LEU 24 3HD1 LEU 24 8.342 1.261 1.647 156 HD21 LEU 24 1HD2 LEU 24 10.240 -2.310 0.786 157 HD22 LEU 24 2HD2 LEU 24 11.099 -1.024 -0.062 158 HD23 LEU 24 3HD2 LEU 24 9.397 -1.328 -0.412 159 H LYS 25 H LYS 25 13.971 1.118 0.470 160 HA LYS 25 HA LYS 25 15.019 3.039 2.433 161 HB2 LYS 25 1HB LYS 25 16.268 1.889 -0.068 162 HB3 LYS 25 2HB LYS 25 17.015 3.128 0.932 163 HG2 LYS 25 1HG LYS 25 16.930 1.535 2.846 164 HG3 LYS 25 2HG LYS 25 16.370 0.297 1.720 165 HD2 LYS 25 1HD LYS 25 18.499 1.019 0.363 166 HD3 LYS 25 2HD LYS 25 19.043 1.605 1.937 167 HE2 LYS 25 1HE LYS 25 19.866 -0.602 1.733 168 HE3 LYS 25 2HE LYS 25 18.497 -0.688 2.840 169 HZ1 LYS 25 1HZ LYS 25 17.301 -1.912 1.405 170 HZ2 LYS 25 2HZ LYS 25 18.811 -2.307 0.753 171 HZ3 LYS 25 3HZ LYS 25 17.872 -1.096 0.037 172 H VAL 26 H VAL 26 16.042 5.030 1.253 173 HA VAL 26 HA VAL 26 13.880 6.436 0.027 174 HB VAL 26 HB VAL 26 15.616 7.461 1.549 175 HG11 VAL 26 1HG1 VAL 26 17.526 6.365 0.268 176 HG12 VAL 26 2HG1 VAL 26 17.316 7.651 -0.921 177 HG13 VAL 26 3HG1 VAL 26 17.743 8.048 0.744 178 HG21 VAL 26 1HG2 VAL 26 14.104 8.561 -0.430 179 HG22 VAL 26 2HG2 VAL 26 15.039 9.480 0.750 180 HG23 VAL 26 3HG2 VAL 26 15.714 9.150 -0.845 181 H ASN 27 H ASN 27 13.682 7.200 -2.062 182 HA ASN 27 HA ASN 27 13.828 7.134 -4.331 183 HB2 ASN 27 1HB ASN 27 16.679 7.144 -3.449 184 HB3 ASN 27 2HB ASN 27 16.337 6.832 -5.148 185 HD21 ASN 27 1HD2 ASN 27 16.434 9.165 -2.639 186 HD22 ASN 27 2HD2 ASN 27 16.023 10.541 -3.599 187 H GLN 28 H GLN 28 12.952 4.804 -3.320 188 HA GLN 28 HA GLN 28 14.225 2.815 -5.073 189 HB2 GLN 28 1HB GLN 28 13.545 2.601 -2.182 190 HB3 GLN 28 2HB GLN 28 13.295 1.180 -3.188 191 HG2 GLN 28 1HG GLN 28 15.892 2.682 -2.952 192 HG3 GLN 28 2HG GLN 28 15.486 1.215 -2.062 193 HE21 GLN 28 1HE2 GLN 28 15.704 -0.723 -3.031 194 HE22 GLN 28 2HE2 GLN 28 16.258 -0.947 -4.652 195 HA PRO 29 HA PRO 29 10.108 2.546 -6.687 196 HB2 PRO 29 1HB PRO 29 10.533 0.409 -8.305 197 HB3 PRO 29 2HB PRO 29 11.103 2.036 -8.694 198 HG2 PRO 29 1HG PRO 29 12.608 -0.266 -7.512 199 HG3 PRO 29 2HG PRO 29 13.115 0.872 -8.773 200 HD2 PRO 29 1HD PRO 29 13.913 1.104 -6.196 201 HD3 PRO 29 2HD PRO 29 13.665 2.512 -7.249 202 H ALA 30 H ALA 30 9.331 1.892 -4.521 203 HA ALA 30 HA ALA 30 9.186 -0.948 -3.965 204 HB1 ALA 30 1HB ALA 30 9.468 0.371 -2.043 205 HB2 ALA 30 2HB ALA 30 8.199 1.497 -2.525 206 HB3 ALA 30 3HB ALA 30 7.779 -0.136 -2.006 207 H SER 31 H SER 31 7.527 -2.265 -4.407 208 HA SER 31 HA SER 31 4.902 -1.159 -5.029 209 HB2 SER 31 1HB SER 31 4.820 -2.665 -7.099 210 HB3 SER 31 2HB SER 31 5.783 -1.194 -7.228 211 HG SER 31 HG SER 31 6.716 -3.834 -6.777 212 H PHE 32 H PHE 32 3.199 -2.647 -4.825 213 HA PHE 32 HA PHE 32 3.826 -5.369 -4.010 214 HB2 PHE 32 1HB PHE 32 2.133 -4.914 -2.025 215 HB3 PHE 32 2HB PHE 32 3.856 -4.603 -1.842 216 HD1 PHE 32 2HD PHE 32 4.712 -2.290 -1.961 217 HD2 PHE 32 1HD PHE 32 0.545 -3.155 -1.978 218 HE1 PHE 32 2HE PHE 32 4.227 0.050 -1.375 219 HE2 PHE 32 1HE PHE 32 0.053 -0.816 -1.393 220 HZ PHE 32 HZ PHE 32 1.896 0.789 -1.090 221 H ALA 33 H ALA 33 1.679 -6.553 -3.485 222 HA ALA 33 HA ALA 33 -0.337 -5.683 -5.452 223 HB1 ALA 33 1HB ALA 33 -0.498 -7.769 -6.291 224 HB2 ALA 33 2HB ALA 33 1.131 -7.934 -5.634 225 HB3 ALA 33 3HB ALA 33 -0.252 -8.535 -4.721 226 H VAL 34 H VAL 34 -2.434 -5.579 -4.840 227 HA VAL 34 HA VAL 34 -3.012 -6.119 -2.013 228 HB VAL 34 HB VAL 34 -4.677 -4.499 -3.939 229 HG11 VAL 34 1HG1 VAL 34 -5.546 -5.525 -1.681 230 HG12 VAL 34 2HG1 VAL 34 -4.681 -4.156 -0.980 231 HG13 VAL 34 3HG1 VAL 34 -5.971 -3.880 -2.151 232 HG21 VAL 34 1HG2 VAL 34 -3.460 -2.773 -2.122 233 HG22 VAL 34 2HG2 VAL 34 -2.170 -3.848 -2.662 234 HG23 VAL 34 3HG2 VAL 34 -3.103 -2.927 -3.842 235 H GLN 35 H GLN 35 -3.775 -8.130 -1.761 236 HA GLN 35 HA GLN 35 -5.332 -9.461 -3.764 237 HB2 GLN 35 1HB GLN 35 -3.737 -10.401 -1.856 238 HB3 GLN 35 2HB GLN 35 -5.248 -10.457 -0.957 239 HG2 GLN 35 1HG GLN 35 -5.209 -11.624 -3.683 240 HG3 GLN 35 2HG GLN 35 -4.389 -12.499 -2.391 241 HE21 GLN 35 1HE2 GLN 35 -5.712 -12.787 -0.378 242 HE22 GLN 35 2HE2 GLN 35 -7.380 -13.183 -0.585 243 H LEU 36 H LEU 36 -7.356 -8.839 -4.153 244 HA LEU 36 HA LEU 36 -9.026 -7.400 -2.474 245 HB2 LEU 36 1HB LEU 36 -10.028 -9.380 -4.499 246 HB3 LEU 36 2HB LEU 36 -10.783 -7.875 -3.982 247 HG LEU 36 HG LEU 36 -8.278 -8.117 -5.648 248 HD11 LEU 36 1HD1 LEU 36 -10.281 -8.748 -6.876 249 HD12 LEU 36 2HD1 LEU 36 -9.664 -7.195 -7.439 250 HD13 LEU 36 3HD1 LEU 36 -11.072 -7.252 -6.380 251 HD21 LEU 36 1HD2 LEU 36 -9.076 -6.033 -3.985 252 HD22 LEU 36 2HD2 LEU 36 -9.572 -5.536 -5.603 253 HD23 LEU 36 3HD2 LEU 36 -7.889 -5.958 -5.287 254 H ASN 37 H ASN 37 -8.392 -10.817 -2.585 255 HA ASN 37 HA ASN 37 -9.038 -12.550 -1.262 256 HB2 ASN 37 1HB ASN 37 -9.515 -10.178 0.498 257 HB3 ASN 37 2HB ASN 37 -10.090 -11.757 1.025 258 HD21 ASN 37 1HD2 ASN 37 -7.331 -9.777 0.386 259 HD22 ASN 37 2HD2 ASN 37 -6.151 -10.832 1.081 260 H GLY 38 H GLY 38 -10.927 -11.270 -3.184 261 HA2 GLY 38 1HA GLY 38 -12.994 -12.674 -3.558 262 HA3 GLY 38 2HA GLY 38 -13.468 -12.135 -1.953 263 H ALA 39 H ALA 39 -12.434 -9.431 -2.349 264 HA ALA 39 HA ALA 39 -14.754 -8.194 -3.313 265 HB1 ALA 39 1HB ALA 39 -13.830 -6.345 -2.477 266 HB2 ALA 39 2HB ALA 39 -12.499 -7.378 -1.956 267 HB3 ALA 39 3HB ALA 39 -12.393 -6.507 -3.486 268 H ARG 40 H ARG 40 -14.760 -6.538 -5.110 269 HA ARG 40 HA ARG 40 -13.036 -7.033 -7.361 270 HB2 ARG 40 1HB ARG 40 -14.535 -8.901 -7.659 271 HB3 ARG 40 2HB ARG 40 -15.939 -7.861 -7.455 272 HG2 ARG 40 1HG ARG 40 -15.891 -8.083 -9.728 273 HG3 ARG 40 2HG ARG 40 -14.939 -6.611 -9.523 274 HD2 ARG 40 1HD ARG 40 -13.619 -7.826 -10.971 275 HD3 ARG 40 2HD ARG 40 -12.926 -8.255 -9.407 276 HE ARG 40 HE ARG 40 -14.767 -10.189 -9.807 277 HH11 ARG 40 1HH1 ARG 40 -12.179 -8.926 -11.762 278 HH12 ARG 40 2HH1 ARG 40 -11.889 -10.427 -12.579 279 HH21 ARG 40 1HH2 ARG 40 -14.395 -12.170 -10.874 280 HH22 ARG 40 2HH2 ARG 40 -13.150 -12.271 -12.073 281 H GLY 41 H GLY 41 -12.591 -4.952 -7.766 282 HA2 GLY 41 1HA GLY 41 -14.529 -3.263 -8.944 283 HA3 GLY 41 2HA GLY 41 -14.249 -2.763 -7.282 284 H VAL 42 H VAL 42 -13.264 -0.829 -7.718 285 HA VAL 42 HA VAL 42 -10.736 -0.954 -9.229 286 HB VAL 42 HB VAL 42 -12.367 1.524 -8.676 287 HG11 VAL 42 1HG1 VAL 42 -9.731 1.185 -9.523 288 HG12 VAL 42 2HG1 VAL 42 -10.639 1.583 -10.983 289 HG13 VAL 42 3HG1 VAL 42 -10.690 2.663 -9.589 290 HG21 VAL 42 1HG2 VAL 42 -13.684 0.051 -10.065 291 HG22 VAL 42 2HG2 VAL 42 -13.060 1.377 -11.046 292 HG23 VAL 42 3HG2 VAL 42 -12.311 -0.217 -11.139 293 H ILE 43 H ILE 43 -8.910 -0.640 -8.141 294 HA ILE 43 HA ILE 43 -9.073 0.281 -5.366 295 HB ILE 43 HB ILE 43 -6.847 -1.113 -6.854 296 HG12 ILE 43 1HG1 ILE 43 -8.982 -2.368 -6.120 297 HG13 ILE 43 2HG1 ILE 43 -7.424 -3.052 -5.669 298 HG21 ILE 43 1HG2 ILE 43 -5.613 -1.163 -4.804 299 HG22 ILE 43 2HG2 ILE 43 -6.047 0.512 -5.141 300 HG23 ILE 43 3HG2 ILE 43 -6.941 -0.403 -3.928 301 HD11 ILE 43 1HD1 ILE 43 -8.822 -1.230 -3.775 302 HD12 ILE 43 2HD1 ILE 43 -9.351 -2.906 -3.933 303 HD13 ILE 43 3HD1 ILE 43 -7.693 -2.546 -3.450 304 H ASP 44 H ASP 44 -8.071 2.084 -4.631 305 HA ASP 44 HA ASP 44 -6.649 3.723 -6.626 306 HB2 ASP 44 1HB ASP 44 -8.955 4.487 -5.674 307 HB3 ASP 44 2HB ASP 44 -8.026 4.906 -4.237 308 H ALA 45 H ALA 45 -4.765 4.747 -6.033 309 HA ALA 45 HA ALA 45 -3.760 4.241 -3.316 310 HB1 ALA 45 1HB ALA 45 -2.897 2.665 -5.216 311 HB2 ALA 45 2HB ALA 45 -1.879 4.047 -5.623 312 HB3 ALA 45 3HB ALA 45 -1.776 3.317 -4.020 313 H ARG 46 H ARG 46 -2.718 5.915 -2.387 314 HA ARG 46 HA ARG 46 -1.595 8.056 -3.975 315 HB2 ARG 46 1HB ARG 46 -4.058 8.426 -2.284 316 HB3 ARG 46 2HB ARG 46 -2.966 9.763 -2.625 317 HG2 ARG 46 1HG ARG 46 -3.323 8.967 -5.113 318 HG3 ARG 46 2HG ARG 46 -4.814 8.310 -4.436 319 HD2 ARG 46 1HD ARG 46 -5.022 10.696 -3.377 320 HD3 ARG 46 2HD ARG 46 -3.924 11.147 -4.680 321 HE ARG 46 HE ARG 46 -6.060 9.655 -5.737 322 HH11 ARG 46 1HH1 ARG 46 -5.382 12.769 -4.336 323 HH12 ARG 46 2HH1 ARG 46 -6.656 13.575 -5.189 324 HH21 ARG 46 1HH2 ARG 46 -7.741 10.706 -6.866 325 HH22 ARG 46 2HH2 ARG 46 -7.998 12.401 -6.627 326 H VAL 47 H VAL 47 0.261 8.564 -3.038 327 HA VAL 47 HA VAL 47 0.649 7.967 -0.202 328 HB VAL 47 HB VAL 47 3.078 8.512 -0.753 329 HG11 VAL 47 1HG1 VAL 47 2.896 6.285 -2.413 330 HG12 VAL 47 2HG1 VAL 47 3.092 6.288 -0.660 331 HG13 VAL 47 3HG1 VAL 47 1.480 6.186 -1.368 332 HG21 VAL 47 1HG2 VAL 47 2.085 9.559 -3.036 333 HG22 VAL 47 2HG2 VAL 47 3.749 9.005 -2.849 334 HG23 VAL 47 3HG2 VAL 47 2.548 7.951 -3.594 335 H HIS 48 H HIS 48 1.316 9.477 1.300 336 HA HIS 48 HA HIS 48 1.072 12.290 0.458 337 HB2 HIS 48 1HB HIS 48 0.321 10.938 3.048 338 HB3 HIS 48 2HB HIS 48 0.456 12.687 2.897 339 HD1 HIS 48 1HD HIS 48 -1.556 13.895 2.053 340 HD2 HIS 48 2HD HIS 48 -1.745 9.810 1.317 341 HE1 HIS 48 1HE HIS 48 -3.865 13.481 1.146 342 HE2 HIS 48 2HE HIS 48 -3.985 10.990 0.788 343 H THR 49 H THR 49 2.951 13.315 0.426 344 HA THR 49 HA THR 49 5.284 12.310 1.720 345 HB THR 49 HB THR 49 6.379 14.379 0.914 346 HG1 THR 49 1HG THR 49 3.706 15.088 0.458 347 HG21 THR 49 1HG2 THR 49 6.297 12.521 -0.606 348 HG22 THR 49 2HG2 THR 49 5.967 13.991 -1.522 349 HG23 THR 49 3HG2 THR 49 4.644 12.915 -1.075 350 HA PRO 50 HA PRO 50 5.055 14.275 5.645 351 HB2 PRO 50 1HB PRO 50 7.695 14.612 6.177 352 HB3 PRO 50 2HB PRO 50 6.900 13.034 6.224 353 HG2 PRO 50 1HG PRO 50 8.563 14.254 4.054 354 HG3 PRO 50 2HG PRO 50 8.583 12.595 4.681 355 HD2 PRO 50 1HD PRO 50 7.322 13.269 2.382 356 HD3 PRO 50 2HD PRO 50 6.739 11.973 3.446 357 H SER 51 H SER 51 6.052 15.866 2.882 358 HA SER 51 HA SER 51 6.820 18.341 4.202 359 HB2 SER 51 1HB SER 51 7.997 17.626 2.146 360 HB3 SER 51 2HB SER 51 6.481 17.742 1.252 361 HG SER 51 HG SER 51 6.493 20.015 2.075 362 H GLY 52 H GLY 52 4.105 16.970 2.447 363 HA2 GLY 52 1HA GLY 52 1.900 17.829 3.189 364 HA3 GLY 52 2HA GLY 52 2.586 19.439 3.027 365 H ALA 53 H ALA 53 3.412 17.049 0.673 366 HA ALA 53 HA ALA 53 1.617 18.374 -1.255 367 HB1 ALA 53 1HB ALA 53 4.433 17.387 -1.552 368 HB2 ALA 53 2HB ALA 53 3.383 17.605 -2.953 369 HB3 ALA 53 3HB ALA 53 3.769 18.980 -1.918 370 H VAL 54 H VAL 54 0.090 17.123 -2.090 371 HA VAL 54 HA VAL 54 0.005 14.312 -1.582 372 HB VAL 54 HB VAL 54 -1.760 15.999 -3.362 373 HG11 VAL 54 1HG1 VAL 54 -2.739 13.484 -2.160 374 HG12 VAL 54 2HG1 VAL 54 -3.093 14.206 -3.730 375 HG13 VAL 54 3HG1 VAL 54 -1.584 13.326 -3.483 376 HG21 VAL 54 1HG2 VAL 54 -1.661 15.531 -0.459 377 HG22 VAL 54 2HG2 VAL 54 -2.337 16.882 -1.369 378 HG23 VAL 54 3HG2 VAL 54 -3.258 15.388 -1.195 379 H GLU 55 H GLU 55 1.226 12.912 -2.662 380 HA GLU 55 HA GLU 55 1.978 13.460 -5.427 381 HB2 GLU 55 1HB GLU 55 2.978 11.635 -3.286 382 HB3 GLU 55 2HB GLU 55 3.276 11.202 -4.963 383 HG2 GLU 55 1HG GLU 55 4.094 13.779 -3.643 384 HG3 GLU 55 2HG GLU 55 5.153 12.415 -3.994 385 H GLU 56 H GLU 56 2.065 11.434 -6.874 386 HA GLU 56 HA GLU 56 -0.502 10.009 -6.615 387 HB2 GLU 56 1HB GLU 56 -0.648 9.955 -9.026 388 HB3 GLU 56 2HB GLU 56 -0.409 11.616 -8.501 389 HG2 GLU 56 1HG GLU 56 2.123 11.024 -8.916 390 HG3 GLU 56 2HG GLU 56 1.421 9.811 -9.985 391 H CYS 57 H CYS 57 -0.593 7.832 -7.362 392 HA CYS 57 HA CYS 57 2.015 6.477 -7.233 393 HB2 CYS 57 1HB CYS 57 -0.756 5.472 -6.557 394 HB3 CYS 57 2HB CYS 57 0.687 4.466 -6.559 395 HG CYS 57 HG CYS 57 -0.498 6.359 -4.166 396 H TYR 58 H TYR 58 1.884 4.224 -8.361 397 HA TYR 58 HA TYR 58 0.749 4.656 -11.046 398 HB2 TYR 58 1HB TYR 58 3.294 4.621 -10.774 399 HB3 TYR 58 2HB TYR 58 3.124 2.902 -10.436 400 HD1 TYR 58 1HD TYR 58 2.405 1.353 -12.192 401 HD2 TYR 58 2HD TYR 58 2.986 5.489 -13.003 402 HE1 TYR 58 1HE TYR 58 2.421 0.872 -14.604 403 HE2 TYR 58 2HE TYR 58 3.002 5.019 -15.417 404 HH TYR 58 HH TYR 58 3.276 3.295 -16.955 405 H VAL 59 H VAL 59 -1.161 3.570 -10.876 406 HA VAL 59 HA VAL 59 -0.968 0.680 -10.335 407 HB VAL 59 HB VAL 59 -2.123 1.632 -8.460 408 HG11 VAL 59 1HG1 VAL 59 -4.164 2.839 -10.305 409 HG12 VAL 59 2HG1 VAL 59 -3.930 3.129 -8.580 410 HG13 VAL 59 3HG1 VAL 59 -2.755 3.739 -9.745 411 HG21 VAL 59 1HG2 VAL 59 -3.942 0.278 -10.438 412 HG22 VAL 59 2HG2 VAL 59 -3.044 -0.451 -9.106 413 HG23 VAL 59 3HG2 VAL 59 -4.415 0.607 -8.771 414 H SER 60 H SER 60 -1.073 -0.181 -12.325 415 HA SER 60 HA SER 60 -2.333 0.880 -14.561 416 HB2 SER 60 1HB SER 60 -2.249 -1.456 -15.468 417 HB3 SER 60 2HB SER 60 -0.716 -0.897 -14.798 418 HG SER 60 HG SER 60 -1.086 -2.124 -12.976 419 H GLU 61 H GLU 61 -4.087 -0.660 -15.731 420 HA GLU 61 HA GLU 61 -6.527 -0.100 -14.442 421 HB2 GLU 61 1HB GLU 61 -5.956 -1.967 -16.751 422 HB3 GLU 61 2HB GLU 61 -7.555 -1.421 -16.267 423 HG2 GLU 61 1HG GLU 61 -5.489 0.623 -16.881 424 HG3 GLU 61 2HG GLU 61 -6.234 -0.256 -18.215 425 H LEU 62 H LEU 62 -8.252 -1.885 -14.195 426 HA LEU 62 HA LEU 62 -7.653 -3.455 -12.007 427 HB2 LEU 62 1HB LEU 62 -9.914 -3.043 -12.422 428 HB3 LEU 62 2HB LEU 62 -9.806 -3.622 -14.084 429 HG LEU 62 HG LEU 62 -9.291 -5.917 -12.867 430 HD11 LEU 62 1HD1 LEU 62 -9.522 -5.840 -10.662 431 HD12 LEU 62 2HD1 LEU 62 -11.241 -5.532 -10.911 432 HD13 LEU 62 3HD1 LEU 62 -10.122 -4.182 -10.724 433 HD21 LEU 62 1HD2 LEU 62 -11.805 -6.307 -12.870 434 HD22 LEU 62 2HD2 LEU 62 -11.079 -5.762 -14.382 435 HD23 LEU 62 3HD2 LEU 62 -11.955 -4.619 -13.361 436 H ASP 63 H ASP 63 -6.372 -5.152 -11.781 437 HA ASP 63 HA ASP 63 -5.726 -6.786 -14.122 438 HB2 ASP 63 1HB ASP 63 -3.985 -5.728 -12.492 439 HB3 ASP 63 2HB ASP 63 -4.404 -7.082 -11.445 440 H SER 64 H SER 64 -5.089 -9.175 -13.216 441 HA SER 64 HA SER 64 -7.471 -10.542 -12.937 442 HB2 SER 64 1HB SER 64 -4.630 -11.291 -12.288 443 HB3 SER 64 2HB SER 64 -5.953 -12.422 -12.001 444 HG SER 64 HG SER 64 -4.759 -12.330 -14.170 445 H ASP 65 H ASP 65 -8.820 -9.755 -11.357 446 HA ASP 65 HA ASP 65 -9.553 -9.187 -9.244 447 HB2 ASP 65 1HB ASP 65 -8.503 -12.001 -9.064 448 HB3 ASP 65 2HB ASP 65 -9.293 -11.234 -7.689 449 H LYS 66 H LYS 66 -6.915 -8.179 -9.749 450 HA LYS 66 HA LYS 66 -6.107 -7.707 -7.024 451 HB2 LYS 66 1HB LYS 66 -4.325 -9.198 -8.944 452 HB3 LYS 66 2HB LYS 66 -3.684 -8.307 -7.570 453 HG2 LYS 66 1HG LYS 66 -5.260 -9.709 -6.140 454 HG3 LYS 66 2HG LYS 66 -5.447 -10.732 -7.567 455 HD2 LYS 66 1HD LYS 66 -2.696 -10.033 -6.663 456 HD3 LYS 66 2HD LYS 66 -3.605 -11.238 -5.747 457 HE2 LYS 66 1HE LYS 66 -3.492 -11.472 -8.715 458 HE3 LYS 66 2HE LYS 66 -2.072 -11.928 -7.775 459 HZ1 LYS 66 1HZ LYS 66 -3.726 -13.312 -6.420 460 HZ2 LYS 66 2HZ LYS 66 -3.272 -13.885 -7.945 461 HZ3 LYS 66 3HZ LYS 66 -4.768 -13.124 -7.740 462 H HIS 67 H HIS 67 -4.065 -6.231 -7.052 463 HA HIS 67 HA HIS 67 -3.951 -4.544 -9.429 464 HB2 HIS 67 1HB HIS 67 -4.885 -3.631 -6.718 465 HB3 HIS 67 2HB HIS 67 -4.152 -2.507 -7.859 466 HD1 HIS 67 1HD HIS 67 -5.558 -1.768 -9.856 467 HD2 HIS 67 2HD HIS 67 -7.432 -4.610 -7.474 468 HE1 HIS 67 1HE HIS 67 -7.947 -1.833 -10.639 469 HE2 HIS 67 2HE HIS 67 -9.081 -3.497 -9.127 470 H THR 68 H THR 68 -2.084 -3.246 -9.561 471 HA THR 68 HA THR 68 0.015 -3.945 -7.612 472 HB THR 68 HB THR 68 0.400 -3.368 -10.556 473 HG1 THR 68 1HG THR 68 0.834 -5.862 -9.288 474 HG21 THR 68 1HG2 THR 68 2.532 -3.025 -9.995 475 HG22 THR 68 2HG2 THR 68 2.611 -4.710 -9.479 476 HG23 THR 68 3HG2 THR 68 2.210 -3.449 -8.314 477 H ILE 69 H ILE 69 1.137 -2.324 -6.696 478 HA ILE 69 HA ILE 69 0.675 0.401 -7.721 479 HB ILE 69 HB ILE 69 1.355 -0.046 -4.852 480 HG12 ILE 69 1HG1 ILE 69 -0.504 -1.616 -5.340 481 HG13 ILE 69 2HG1 ILE 69 -0.982 -0.320 -4.250 482 HG21 ILE 69 1HG2 ILE 69 1.279 2.213 -5.841 483 HG22 ILE 69 2HG2 ILE 69 -0.421 1.959 -6.234 484 HG23 ILE 69 3HG2 ILE 69 0.098 1.996 -4.549 485 HD11 ILE 69 1HD1 ILE 69 -2.158 0.802 -5.986 486 HD12 ILE 69 2HD1 ILE 69 -1.517 -0.299 -7.206 487 HD13 ILE 69 3HD1 ILE 69 -2.657 -0.889 -5.997 488 H ARG 70 H ARG 70 2.393 1.875 -7.621 489 HA ARG 70 HA ARG 70 4.994 0.954 -6.714 490 HB2 ARG 70 1HB ARG 70 4.591 0.219 -9.158 491 HB3 ARG 70 2HB ARG 70 4.761 1.924 -9.550 492 HG2 ARG 70 1HG ARG 70 6.998 1.937 -8.588 493 HG3 ARG 70 2HG ARG 70 6.828 0.233 -8.161 494 HD2 ARG 70 1HD ARG 70 6.368 -0.130 -10.666 495 HD3 ARG 70 2HD ARG 70 7.049 1.482 -10.879 496 HE ARG 70 HE ARG 70 8.773 -0.149 -9.326 497 HH11 ARG 70 1HH1 ARG 70 7.700 0.412 -12.590 498 HH12 ARG 70 2HH1 ARG 70 9.163 -0.173 -13.310 499 HH21 ARG 70 1HH2 ARG 70 10.704 -0.922 -10.262 500 HH22 ARG 70 2HH2 ARG 70 10.871 -0.933 -11.985 501 H PHE 71 H PHE 71 5.989 2.583 -5.735 502 HA PHE 71 HA PHE 71 5.904 5.264 -6.785 503 HB2 PHE 71 1HB PHE 71 5.079 6.206 -4.573 504 HB3 PHE 71 2HB PHE 71 3.864 5.426 -5.579 505 HD1 PHE 71 1HD PHE 71 6.179 4.733 -2.750 506 HD2 PHE 71 2HD PHE 71 2.495 3.804 -4.669 507 HE1 PHE 71 1HE PHE 71 5.574 3.265 -0.871 508 HE2 PHE 71 2HE PHE 71 1.883 2.336 -2.792 509 HZ PHE 71 HZ PHE 71 3.423 2.065 -0.889 510 H ILE 72 H ILE 72 7.601 6.512 -6.084 511 HA ILE 72 HA ILE 72 9.513 5.160 -4.301 512 HB ILE 72 HB ILE 72 9.998 7.175 -6.495 513 HG12 ILE 72 1HG1 ILE 72 11.095 4.378 -6.243 514 HG13 ILE 72 2HG1 ILE 72 9.563 4.711 -7.042 515 HG21 ILE 72 1HG2 ILE 72 12.438 6.135 -5.613 516 HG22 ILE 72 2HG2 ILE 72 11.839 7.781 -5.411 517 HG23 ILE 72 3HG2 ILE 72 11.555 6.579 -4.152 518 HD11 ILE 72 1HD1 ILE 72 12.186 5.943 -7.840 519 HD12 ILE 72 2HD1 ILE 72 11.490 4.502 -8.582 520 HD13 ILE 72 3HD1 ILE 72 10.649 6.048 -8.698 521 HA PRO 73 HA PRO 73 8.679 8.436 -1.415 522 HB2 PRO 73 1HB PRO 73 10.571 7.722 0.396 523 HB3 PRO 73 2HB PRO 73 9.035 6.865 0.224 524 HG2 PRO 73 1HG PRO 73 11.732 6.153 -0.861 525 HG3 PRO 73 2HG PRO 73 10.519 5.105 -0.103 526 HD2 PRO 73 1HD PRO 73 10.852 5.244 -2.787 527 HD3 PRO 73 2HD PRO 73 9.273 4.939 -2.035 528 H HIS 74 H HIS 74 9.511 10.006 -3.009 529 HA HIS 74 HA HIS 74 12.038 10.710 -3.619 530 HB2 HIS 74 1HB HIS 74 9.657 12.409 -2.950 531 HB3 HIS 74 2HB HIS 74 11.196 13.165 -3.350 532 HD1 HIS 74 1HD HIS 74 9.525 10.171 -4.992 533 HD2 HIS 74 2HD HIS 74 10.822 14.013 -5.898 534 HE1 HIS 74 1HE HIS 74 9.187 10.428 -7.470 535 HE2 HIS 74 2HE HIS 74 10.058 12.729 -8.009 536 H GLU 75 H GLU 75 10.389 11.651 -0.608 537 HA GLU 75 HA GLU 75 13.037 12.241 0.543 538 HB2 GLU 75 1HB GLU 75 11.806 14.278 0.461 539 HB3 GLU 75 2HB GLU 75 10.351 13.503 1.071 540 HG2 GLU 75 1HG GLU 75 11.257 14.788 2.837 541 HG3 GLU 75 2HG GLU 75 11.566 13.095 3.215 542 H ASN 76 H ASN 76 13.451 11.585 2.677 543 HA ASN 76 HA ASN 76 12.371 9.085 3.402 544 HB2 ASN 76 1HB ASN 76 14.258 11.028 4.654 545 HB3 ASN 76 2HB ASN 76 13.582 9.758 5.670 546 HD21 ASN 76 1HD2 ASN 76 13.579 7.551 4.391 547 HD22 ASN 76 2HD2 ASN 76 15.116 7.132 3.721 548 H GLY 77 H GLY 77 11.590 8.725 5.765 549 HA2 GLY 77 1HA GLY 77 10.302 9.715 7.597 550 HA3 GLY 77 2HA GLY 77 9.552 10.766 6.405 551 H VAL 78 H VAL 78 7.811 9.564 7.931 552 HA VAL 78 HA VAL 78 7.008 7.016 6.773 553 HB VAL 78 HB VAL 78 5.930 8.653 9.061 554 HG11 VAL 78 1HG1 VAL 78 3.927 7.800 8.407 555 HG12 VAL 78 2HG1 VAL 78 4.660 6.447 7.543 556 HG13 VAL 78 3HG1 VAL 78 4.526 6.403 9.301 557 HG21 VAL 78 1HG2 VAL 78 7.200 5.923 8.888 558 HG22 VAL 78 2HG2 VAL 78 7.928 7.384 9.556 559 HG23 VAL 78 3HG2 VAL 78 6.544 6.642 10.359 560 H HIS 79 H HIS 79 5.833 6.992 4.982 561 HA HIS 79 HA HIS 79 4.177 9.298 4.296 562 HB2 HIS 79 1HB HIS 79 4.991 6.866 2.693 563 HB3 HIS 79 2HB HIS 79 3.962 8.159 2.082 564 HD1 HIS 79 1HD HIS 79 7.018 8.820 4.173 565 HD2 HIS 79 2HD HIS 79 5.781 9.085 0.215 566 HE1 HIS 79 1HE HIS 79 8.832 10.096 2.985 567 HE2 HIS 79 2HE HIS 79 8.021 10.317 0.611 568 H SER 80 H SER 80 1.976 9.104 3.726 569 HA SER 80 HA SER 80 0.637 6.845 5.043 570 HB2 SER 80 1HB SER 80 -0.051 9.714 4.645 571 HB3 SER 80 2HB SER 80 -1.382 8.558 4.671 572 HG SER 80 HG SER 80 -1.058 9.155 6.762 573 H ILE 81 H ILE 81 0.066 5.281 3.690 574 HA ILE 81 HA ILE 81 -0.488 5.848 0.900 575 HB ILE 81 HB ILE 81 -0.772 3.156 2.207 576 HG12 ILE 81 1HG1 ILE 81 1.408 4.030 2.883 577 HG13 ILE 81 2HG1 ILE 81 1.605 2.748 1.692 578 HG21 ILE 81 1HG2 ILE 81 0.390 2.930 -0.303 579 HG22 ILE 81 2HG2 ILE 81 -1.294 2.616 0.113 580 HG23 ILE 81 3HG2 ILE 81 -0.815 4.204 -0.488 581 HD11 ILE 81 1HD1 ILE 81 2.667 4.101 0.294 582 HD12 ILE 81 2HD1 ILE 81 1.440 5.357 0.455 583 HD13 ILE 81 3HD1 ILE 81 2.754 5.253 1.626 584 H ASP 82 H ASP 82 -2.443 6.506 0.317 585 HA ASP 82 HA ASP 82 -4.772 5.805 1.916 586 HB2 ASP 82 1HB ASP 82 -4.979 8.025 1.364 587 HB3 ASP 82 2HB ASP 82 -4.164 7.827 -0.185 588 H VAL 83 H VAL 83 -5.857 4.009 1.493 589 HA VAL 83 HA VAL 83 -6.006 3.077 -1.301 590 HB VAL 83 HB VAL 83 -6.128 1.352 1.175 591 HG11 VAL 83 1HG1 VAL 83 -7.366 0.314 -0.552 592 HG12 VAL 83 2HG1 VAL 83 -6.160 0.735 -1.770 593 HG13 VAL 83 3HG1 VAL 83 -5.788 -0.474 -0.540 594 HG21 VAL 83 1HG2 VAL 83 -3.906 1.582 1.217 595 HG22 VAL 83 2HG2 VAL 83 -3.892 0.615 -0.258 596 HG23 VAL 83 3HG2 VAL 83 -3.874 2.376 -0.357 597 H LYS 84 H LYS 84 -7.963 3.376 -2.117 598 HA LYS 84 HA LYS 84 -10.293 3.088 -0.335 599 HB2 LYS 84 1HB LYS 84 -9.717 4.970 -2.586 600 HB3 LYS 84 2HB LYS 84 -11.384 4.502 -2.275 601 HG2 LYS 84 1HG LYS 84 -10.956 5.217 0.135 602 HG3 LYS 84 2HG LYS 84 -9.497 5.994 -0.486 603 HD2 LYS 84 1HD LYS 84 -11.115 7.687 -0.513 604 HD3 LYS 84 2HD LYS 84 -11.046 7.124 -2.184 605 HE2 LYS 84 1HE LYS 84 -13.322 7.230 -1.797 606 HE3 LYS 84 2HE LYS 84 -12.966 5.536 -1.460 607 HZ1 LYS 84 1HZ LYS 84 -12.747 7.316 0.813 608 HZ2 LYS 84 2HZ LYS 84 -13.446 5.780 0.703 609 HZ3 LYS 84 3HZ LYS 84 -14.313 7.141 0.196 610 H PHE 85 H PHE 85 -12.200 2.133 -1.226 611 HA PHE 85 HA PHE 85 -11.833 0.617 -3.707 612 HB2 PHE 85 1HB PHE 85 -11.240 -0.798 -1.687 613 HB3 PHE 85 2HB PHE 85 -12.927 -0.664 -1.201 614 HD1 PHE 85 1HD PHE 85 -11.232 -1.291 -4.467 615 HD2 PHE 85 2HD PHE 85 -14.030 -2.639 -1.557 616 HE1 PHE 85 1HE PHE 85 -11.791 -3.212 -5.899 617 HE2 PHE 85 2HE PHE 85 -14.593 -4.563 -2.984 618 HZ PHE 85 HZ PHE 85 -13.473 -4.851 -5.158 619 H ASN 86 H ASN 86 -13.482 1.051 -4.999 620 HA ASN 86 HA ASN 86 -15.509 1.845 -5.711 621 HB2 ASN 86 1HB ASN 86 -16.529 -0.043 -3.579 622 HB3 ASN 86 2HB ASN 86 -17.384 0.473 -5.029 623 HD21 ASN 86 1HD2 ASN 86 -17.413 -0.970 -6.577 624 HD22 ASN 86 2HD2 ASN 86 -16.198 -2.158 -6.893 625 H GLY 87 H GLY 87 -14.302 3.458 -3.661 626 HA2 GLY 87 1HA GLY 87 -14.982 5.428 -2.633 627 HA3 GLY 87 2HA GLY 87 -16.654 4.936 -2.863 628 H ALA 88 H ALA 88 -13.924 3.425 -1.147 629 HA ALA 88 HA ALA 88 -15.155 3.904 1.419 630 HB1 ALA 88 1HB ALA 88 -16.343 1.893 0.447 631 HB2 ALA 88 2HB ALA 88 -14.809 1.034 0.591 632 HB3 ALA 88 3HB ALA 88 -15.602 1.669 2.032 633 H HIS 89 H HIS 89 -13.749 3.593 3.143 634 HA HIS 89 HA HIS 89 -10.945 3.358 2.385 635 HB2 HIS 89 1HB HIS 89 -12.434 4.515 4.683 636 HB3 HIS 89 2HB HIS 89 -10.810 3.915 5.002 637 HD1 HIS 89 1HD HIS 89 -8.842 5.214 3.975 638 HD2 HIS 89 2HD HIS 89 -12.569 6.800 3.052 639 HE1 HIS 89 1HE HIS 89 -8.382 7.481 2.989 640 HE2 HIS 89 2HE HIS 89 -10.655 8.457 2.518 641 H ILE 90 H ILE 90 -9.794 1.572 2.685 642 HA ILE 90 HA ILE 90 -10.947 -0.771 3.814 643 HB ILE 90 HB ILE 90 -8.857 -1.865 3.344 644 HG12 ILE 90 1HG1 ILE 90 -7.584 0.705 2.482 645 HG13 ILE 90 2HG1 ILE 90 -7.557 0.260 4.184 646 HG21 ILE 90 1HG2 ILE 90 -8.781 -0.165 0.988 647 HG22 ILE 90 2HG2 ILE 90 -9.230 -1.862 1.145 648 HG23 ILE 90 3HG2 ILE 90 -10.422 -0.602 1.461 649 HD11 ILE 90 1HD1 ILE 90 -5.870 -0.623 2.078 650 HD12 ILE 90 2HD1 ILE 90 -5.793 -1.008 3.798 651 HD13 ILE 90 3HD1 ILE 90 -6.756 -2.010 2.713 652 HA PRO 91 HA PRO 91 -9.794 -0.453 8.041 653 HB2 PRO 91 1HB PRO 91 -9.445 -3.073 8.658 654 HB3 PRO 91 2HB PRO 91 -11.036 -2.354 8.387 655 HG2 PRO 91 1HG PRO 91 -9.340 -3.961 6.516 656 HG3 PRO 91 2HG PRO 91 -11.087 -4.059 6.806 657 HD2 PRO 91 1HD PRO 91 -10.034 -2.771 4.669 658 HD3 PRO 91 2HD PRO 91 -11.539 -2.249 5.453 659 H GLY 92 H GLY 92 -7.824 0.543 8.216 660 HA2 GLY 92 1HA GLY 92 -5.647 -0.204 9.301 661 HA3 GLY 92 2HA GLY 92 -5.430 -1.138 7.828 662 H SER 93 H SER 93 -6.773 1.188 6.362 663 HA SER 93 HA SER 93 -4.296 2.607 5.841 664 HB2 SER 93 1HB SER 93 -5.251 2.208 3.800 665 HB3 SER 93 2HB SER 93 -6.894 2.254 4.442 666 HG SER 93 HG SER 93 -6.990 4.328 4.053 667 HA PRO 94 HA PRO 94 -3.964 4.578 4.560 668 HB2 PRO 94 1HB PRO 94 -2.148 6.410 5.405 669 HB3 PRO 94 2HB PRO 94 -3.640 6.852 4.567 670 HG2 PRO 94 1HG PRO 94 -3.031 6.889 7.498 671 HG3 PRO 94 2HG PRO 94 -3.888 8.094 6.517 672 HD2 PRO 94 1HD PRO 94 -5.182 6.297 8.076 673 HD3 PRO 94 2HD PRO 94 -5.861 6.903 6.552 674 H PHE 95 H PHE 95 -2.179 3.323 4.337 675 HA PHE 95 HA PHE 95 -1.203 1.942 6.662 676 HB2 PHE 95 1HB PHE 95 -0.626 1.743 3.713 677 HB3 PHE 95 2HB PHE 95 0.310 0.833 4.895 678 HD1 PHE 95 1HD PHE 95 -1.448 -0.238 6.771 679 HD2 PHE 95 2HD PHE 95 -2.173 0.455 2.634 680 HE1 PHE 95 1HE PHE 95 -3.170 -1.996 6.782 681 HE2 PHE 95 2HE PHE 95 -3.896 -1.301 2.639 682 HZ PHE 95 HZ PHE 95 -4.397 -2.529 4.714 683 H LYS 96 H LYS 96 0.116 3.073 7.960 684 HA LYS 96 HA LYS 96 1.965 5.028 7.031 685 HB2 LYS 96 1HB LYS 96 1.690 3.634 9.698 686 HB3 LYS 96 2HB LYS 96 2.817 4.949 9.391 687 HG2 LYS 96 1HG LYS 96 -0.158 5.185 9.016 688 HG3 LYS 96 2HG LYS 96 0.685 5.617 10.506 689 HD2 LYS 96 1HD LYS 96 2.137 7.122 9.028 690 HD3 LYS 96 2HD LYS 96 0.902 6.884 7.789 691 HE2 LYS 96 1HE LYS 96 0.122 8.792 8.785 692 HE3 LYS 96 2HE LYS 96 -0.719 7.573 9.742 693 HZ1 LYS 96 1HZ LYS 96 0.144 8.876 11.381 694 HZ2 LYS 96 2HZ LYS 96 1.519 9.307 10.495 695 HZ3 LYS 96 3HZ LYS 96 1.419 7.778 11.210 696 H ILE 97 H ILE 97 3.562 4.361 5.716 697 HA ILE 97 HA ILE 97 5.078 1.955 6.434 698 HB ILE 97 HB ILE 97 6.086 2.170 4.170 699 HG12 ILE 97 1HG1 ILE 97 3.958 4.232 3.620 700 HG13 ILE 97 2HG1 ILE 97 5.595 4.685 4.078 701 HG21 ILE 97 1HG2 ILE 97 4.302 1.160 3.072 702 HG22 ILE 97 2HG2 ILE 97 3.938 0.884 4.775 703 HG23 ILE 97 3HG2 ILE 97 3.104 2.162 3.891 704 HD11 ILE 97 1HD1 ILE 97 6.500 3.901 2.104 705 HD12 ILE 97 2HD1 ILE 97 5.126 2.844 1.775 706 HD13 ILE 97 3HD1 ILE 97 4.962 4.590 1.585 707 H ARG 98 H ARG 98 7.406 1.999 6.353 708 HA ARG 98 HA ARG 98 8.492 4.632 7.101 709 HB2 ARG 98 1HB ARG 98 8.459 2.661 8.779 710 HB3 ARG 98 2HB ARG 98 9.772 2.007 7.809 711 HG2 ARG 98 1HG ARG 98 11.235 3.682 8.414 712 HG3 ARG 98 2HG ARG 98 9.939 4.804 8.834 713 HD2 ARG 98 1HD ARG 98 9.607 3.861 10.899 714 HD3 ARG 98 2HD ARG 98 10.204 2.282 10.392 715 HE ARG 98 HE ARG 98 12.280 4.220 10.371 716 HH11 ARG 98 1HH1 ARG 98 10.381 2.213 12.490 717 HH12 ARG 98 2HH1 ARG 98 11.599 2.134 13.719 718 HH21 ARG 98 1HH2 ARG 98 13.891 4.123 11.983 719 HH22 ARG 98 2HH2 ARG 98 13.595 3.222 13.430 720 H VAL 99 H VAL 99 10.256 5.425 6.073 721 HA VAL 99 HA VAL 99 11.504 3.726 4.014 722 HB VAL 99 HB VAL 99 10.795 6.653 3.784 723 HG11 VAL 99 1HG1 VAL 99 12.968 6.227 2.779 724 HG12 VAL 99 2HG1 VAL 99 12.296 4.879 1.860 725 HG13 VAL 99 3HG1 VAL 99 11.758 6.527 1.532 726 HG21 VAL 99 1HG2 VAL 99 9.106 6.071 2.370 727 HG22 VAL 99 2HG2 VAL 99 9.918 4.604 1.824 728 HG23 VAL 99 3HG2 VAL 99 9.114 4.634 3.393 729 H GLY 100 H GLY 100 13.569 3.386 4.489 730 HA2 GLY 100 1HA GLY 100 15.805 4.180 4.691 731 HA3 GLY 100 2HA GLY 100 15.186 5.646 5.438 732 H GLU 101 H GLU 101 16.248 2.399 5.945 733 HA GLU 101 HA GLU 101 15.884 2.751 8.849 734 HB2 GLU 101 1HB GLU 101 15.947 0.220 7.202 735 HB3 GLU 101 2HB GLU 101 16.013 0.240 8.959 736 HG2 GLU 101 1HG GLU 101 13.772 1.485 7.397 737 HG3 GLU 101 2HG GLU 101 13.757 -0.194 7.933 738 H GLN 102 H GLN 102 17.749 3.396 9.706 739 HA GLN 102 HA GLN 102 20.278 3.156 8.599 740 HB2 GLN 102 1HB GLN 102 19.266 3.640 11.369 741 HB3 GLN 102 2HB GLN 102 20.984 3.350 11.134 742 HG2 GLN 102 1HG GLN 102 21.207 5.251 9.740 743 HG3 GLN 102 2HG GLN 102 19.459 5.454 9.629 744 HE21 GLN 102 1HE2 GLN 102 18.416 5.627 11.902 745 HE22 GLN 102 2HE2 GLN 102 19.180 6.749 12.970 746 H SER 103 H SER 103 22.066 1.813 9.077 747 HA SER 103 HA SER 103 21.321 -0.849 10.103 748 HB2 SER 103 1HB SER 103 22.877 -1.838 8.528 749 HB3 SER 103 2HB SER 103 21.761 -0.793 7.648 750 HG SER 103 HG SER 103 24.005 -0.534 7.062 751 H GLN 104 H GLN 104 22.238 -1.242 11.997 752 HA GLN 104 HA GLN 104 24.342 0.259 13.099 753 HB2 GLN 104 1HB GLN 104 22.961 -2.287 13.830 754 HB3 GLN 104 2HB GLN 104 24.449 -1.863 14.665 755 HG2 GLN 104 1HG GLN 104 22.056 -0.052 14.483 756 HG3 GLN 104 2HG GLN 104 22.361 -1.158 15.822 757 HE21 GLN 104 1HE2 GLN 104 22.833 1.926 14.647 758 HE22 GLN 104 2HE2 GLN 104 24.067 2.442 15.741 759 H ALA 105 H ALA 105 26.123 0.302 11.755 760 HA ALA 105 HA ALA 105 27.328 -1.797 10.430 761 HB1 ALA 105 1HB ALA 105 28.354 0.778 11.535 762 HB2 ALA 105 2HB ALA 105 29.487 -0.391 10.856 763 HB3 ALA 105 3HB ALA 105 28.187 0.260 9.857 764 H GLY 106 H GLY 106 27.609 -3.723 11.434 765 HA2 GLY 106 1HA GLY 106 29.826 -4.239 12.994 766 HA3 GLY 106 2HA GLY 106 28.510 -3.979 14.129 767 H SER 107 H SER 107 30.194 -6.333 12.739 768 HA SER 107 HA SER 107 28.076 -8.270 13.124 769 HB2 SER 107 1HB SER 107 29.371 -7.799 10.444 770 HB3 SER 107 2HB SER 107 28.672 -9.360 10.872 771 HG SER 107 HG SER 107 26.725 -8.542 10.712 772 H GLY 108 H GLY 108 28.839 -10.395 13.448 773 HA2 GLY 108 1HA GLY 108 31.657 -10.979 13.227 774 HA3 GLY 108 2HA GLY 108 31.111 -10.763 14.883 775 HA PRO 109 HA PRO 109 30.095 -15.077 12.995 776 HB2 PRO 109 1HB PRO 109 32.358 -16.457 13.581 777 HB3 PRO 109 2HB PRO 109 32.106 -15.636 12.036 778 HG2 PRO 109 1HG PRO 109 33.651 -14.728 14.434 779 HG3 PRO 109 2HG PRO 109 34.084 -14.620 12.718 780 HD2 PRO 109 1HD PRO 109 33.095 -12.516 14.106 781 HD3 PRO 109 2HD PRO 109 32.775 -12.753 12.376 782 H SER 110 H SER 110 28.660 -15.091 14.767 783 HA SER 110 HA SER 110 29.425 -15.318 17.461 784 HB2 SER 110 1HB SER 110 27.176 -14.651 16.911 785 HB3 SER 110 2HB SER 110 26.886 -16.161 16.048 786 HG SER 110 HG SER 110 26.372 -15.691 18.549 787 H SER 111 H SER 111 30.841 -16.874 18.023 788 HA SER 111 HA SER 111 30.010 -19.658 17.571 789 HB2 SER 111 1HB SER 111 32.288 -20.333 17.127 790 HB3 SER 111 2HB SER 111 31.872 -19.025 16.021 791 HG SER 111 HG SER 111 33.260 -17.741 16.993 792 H GLY 112 H GLY 112 30.945 -21.188 19.125 793 HA2 GLY 112 1HA GLY 112 30.706 -20.213 21.785 794 HA3 GLY 112 2HA GLY 112 31.172 -21.841 21.319
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