NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
279422 | 2kdm | 16117 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 1 1HT THR 1 6.860 -13.827 4.422 2 H2 THR 1 2HT THR 1 5.462 -14.654 4.979 3 H3 THR 1 3HT THR 1 5.757 -13.036 5.469 4 HA THR 1 HA THR 1 5.396 -13.812 2.663 5 HB THR 1 HB THR 1 3.052 -12.679 3.280 6 HG1 THR 1 1HG THR 1 2.380 -13.444 5.316 7 HG21 THR 1 1HG2 THR 1 3.022 -14.776 2.230 8 HG22 THR 1 2HG2 THR 1 2.127 -14.982 3.735 9 HG23 THR 1 3HG2 THR 1 3.787 -15.567 3.608 10 H THR 2 H THR 2 5.254 -12.054 1.297 11 HA THR 2 HA THR 2 5.900 -9.449 2.511 12 HB THR 2 HB THR 2 6.859 -8.972 0.163 13 HG1 THR 2 1HG THR 2 6.034 -10.787 -0.888 14 HG21 THR 2 3HG2 THR 2 8.879 -9.313 1.009 15 HG22 THR 2 1HG2 THR 2 8.613 -11.049 1.165 16 HG23 THR 2 2HG2 THR 2 8.059 -9.956 2.432 17 H TYR 3 H TYR 3 4.806 -7.634 1.846 18 HA TYR 3 HA TYR 3 2.555 -8.072 -0.004 19 HB2 TYR 3 2HB TYR 3 2.583 -6.293 2.445 20 HB3 TYR 3 1HB TYR 3 1.225 -6.511 1.339 21 HD1 TYR 3 1HD TYR 3 3.476 -8.482 3.574 22 HD2 TYR 3 2HD TYR 3 -0.394 -8.091 1.849 23 HE1 TYR 3 1HE TYR 3 2.685 -10.371 4.935 24 HE2 TYR 3 2HE TYR 3 -1.196 -9.976 3.210 25 HH TYR 3 HH TYR 3 -0.633 -11.153 5.242 26 H LYS 4 H LYS 4 1.946 -6.329 -1.337 27 HA LYS 4 HA LYS 4 3.906 -4.132 -1.493 28 HB2 LYS 4 2HB LYS 4 3.309 -6.151 -3.455 29 HB3 LYS 4 1HB LYS 4 2.858 -4.570 -4.084 30 HG2 LYS 4 2HG LYS 4 5.074 -3.737 -3.768 31 HG3 LYS 4 1HG LYS 4 5.556 -5.203 -2.910 32 HD2 LYS 4 2HD LYS 4 4.470 -5.491 -5.662 33 HD3 LYS 4 1HD LYS 4 6.099 -4.836 -5.480 34 HE2 LYS 4 2HE LYS 4 6.955 -6.805 -4.787 35 HE3 LYS 4 1HE LYS 4 5.509 -7.230 -3.872 36 HZ1 LYS 4 3HZ LYS 4 4.470 -7.576 -6.178 37 HZ2 LYS 4 1HZ LYS 4 5.531 -8.757 -5.591 38 HZ3 LYS 4 2HZ LYS 4 6.066 -7.637 -6.740 39 H LEU 5 H LEU 5 3.157 -2.143 -2.278 40 HA LEU 5 HA LEU 5 0.246 -1.850 -2.421 41 HB2 LEU 5 2HB LEU 5 0.583 -1.152 -0.248 42 HB3 LEU 5 1HB LEU 5 2.173 -0.483 -0.604 43 HG LEU 5 HG LEU 5 1.143 1.438 -1.704 44 HD11 LEU 5 1HD1 LEU 5 -1.034 1.618 -2.267 45 HD12 LEU 5 2HD1 LEU 5 -1.588 0.743 -0.839 46 HD13 LEU 5 3HD1 LEU 5 -0.963 -0.144 -2.228 47 HD21 LEU 5 3HD2 LEU 5 1.372 2.113 0.438 48 HD22 LEU 5 1HD2 LEU 5 0.503 0.721 1.083 49 HD23 LEU 5 2HD2 LEU 5 -0.393 2.083 0.407 50 H ILE 6 H ILE 6 -0.441 -0.647 -4.073 51 HA ILE 6 HA ILE 6 1.564 0.833 -5.623 52 HB ILE 6 HB ILE 6 -1.166 -0.085 -6.497 53 HG12 ILE 6 2HG1 ILE 6 0.353 -1.965 -6.041 54 HG13 ILE 6 1HG1 ILE 6 -0.010 -1.815 -7.759 55 HG21 ILE 6 1HG2 ILE 6 -0.857 0.974 -8.442 56 HG22 ILE 6 2HG2 ILE 6 0.842 0.509 -8.525 57 HG23 ILE 6 3HG2 ILE 6 0.358 1.910 -7.571 58 HD11 ILE 6 3HD1 ILE 6 2.505 -1.884 -6.495 59 HD12 ILE 6 1HD1 ILE 6 2.299 -0.278 -7.191 60 HD13 ILE 6 2HD1 ILE 6 2.141 -1.707 -8.212 61 H LEU 7 H LEU 7 1.645 2.903 -5.034 62 HA LEU 7 HA LEU 7 -0.807 4.288 -4.259 63 HB2 LEU 7 2HB LEU 7 2.068 5.210 -4.164 64 HB3 LEU 7 1HB LEU 7 0.687 6.091 -3.522 65 HG LEU 7 HG LEU 7 1.348 3.336 -2.527 66 HD11 LEU 7 1HD1 LEU 7 2.391 4.878 -0.606 67 HD12 LEU 7 2HD1 LEU 7 2.786 5.864 -2.014 68 HD13 LEU 7 3HD1 LEU 7 3.349 4.196 -1.921 69 HD21 LEU 7 3HD2 LEU 7 -0.803 4.144 -1.884 70 HD22 LEU 7 1HD2 LEU 7 -0.138 5.709 -1.416 71 HD23 LEU 7 2HD2 LEU 7 0.257 4.267 -0.480 72 H ASN 8 H ASN 8 -1.882 5.536 -5.618 73 HA ASN 8 HA ASN 8 -0.445 6.720 -7.900 74 HB2 ASN 8 2HB ASN 8 -2.202 4.697 -8.229 75 HB3 ASN 8 1HB ASN 8 -3.315 6.065 -8.274 76 HD21 ASN 8 1HD2 ASN 8 -1.606 7.938 -9.467 77 HD22 ASN 8 2HD2 ASN 8 -1.333 7.456 -11.104 78 H LEU 9 H LEU 9 -0.303 8.797 -7.243 79 HA LEU 9 HA LEU 9 -2.744 10.101 -6.256 80 HB2 LEU 9 2HB LEU 9 -1.305 11.842 -5.366 81 HB3 LEU 9 1HB LEU 9 -0.829 10.269 -4.765 82 HG LEU 9 HG LEU 9 0.646 11.031 -7.166 83 HD11 LEU 9 1HD1 LEU 9 2.035 12.588 -5.454 84 HD12 LEU 9 2HD1 LEU 9 0.384 12.952 -4.954 85 HD13 LEU 9 3HD1 LEU 9 0.874 13.203 -6.630 86 HD21 LEU 9 3HD2 LEU 9 2.109 9.656 -6.214 87 HD22 LEU 9 1HD2 LEU 9 0.963 9.417 -4.894 88 HD23 LEU 9 2HD2 LEU 9 2.200 10.668 -4.772 89 H LYS 10 H LYS 10 -2.573 12.620 -6.811 90 HA LYS 10 HA LYS 10 -3.432 13.037 -9.340 91 HB2 LYS 10 2HB LYS 10 -2.575 15.417 -9.089 92 HB3 LYS 10 1HB LYS 10 -3.628 14.815 -7.811 93 HG2 LYS 10 2HG LYS 10 -1.348 14.189 -6.674 94 HG3 LYS 10 1HG LYS 10 -0.719 15.441 -7.745 95 HD2 LYS 10 2HD LYS 10 -1.848 17.110 -6.672 96 HD3 LYS 10 1HD LYS 10 -3.170 16.051 -6.181 97 HE2 LYS 10 2HE LYS 10 -1.991 16.632 -4.207 98 HE3 LYS 10 1HE LYS 10 -1.562 14.968 -4.585 99 HZ1 LYS 10 3HZ LYS 10 0.547 15.564 -5.250 100 HZ2 LYS 10 1HZ LYS 10 0.285 16.615 -3.947 101 HZ3 LYS 10 2HZ LYS 10 0.129 17.182 -5.529 102 H GLN 11 H GLN 11 -0.018 13.517 -8.370 103 HA GLN 11 HA GLN 11 0.771 12.791 -11.089 104 HB2 GLN 11 2HB GLN 11 1.031 15.470 -9.886 105 HB3 GLN 11 1HB GLN 11 2.504 14.855 -10.647 106 HG2 GLN 11 2HG GLN 11 0.342 14.338 -12.419 107 HG3 GLN 11 1HG GLN 11 0.182 16.006 -11.863 108 HE21 GLN 11 1HE2 GLN 11 1.799 13.881 -13.935 109 HE22 GLN 11 2HE2 GLN 11 2.984 14.985 -14.543 110 H ALA 12 H ALA 12 1.359 10.880 -9.758 111 HA ALA 12 HA ALA 12 4.057 10.556 -9.466 112 HB1 ALA 12 1HB ALA 12 2.904 11.885 -7.135 113 HB2 ALA 12 2HB ALA 12 4.584 11.753 -7.650 114 HB3 ALA 12 3HB ALA 12 3.835 10.447 -6.742 115 H LYS 13 H LYS 13 4.626 8.468 -8.898 116 HA LYS 13 HA LYS 13 2.490 6.717 -7.917 117 HB2 LYS 13 2HB LYS 13 2.431 6.487 -10.327 118 HB3 LYS 13 1HB LYS 13 4.171 6.238 -10.382 119 HG2 LYS 13 2HG LYS 13 3.941 4.141 -9.214 120 HG3 LYS 13 1HG LYS 13 2.202 4.392 -9.062 121 HD2 LYS 13 2HD LYS 13 2.778 4.698 -11.789 122 HD3 LYS 13 1HD LYS 13 3.710 3.296 -11.260 123 HE2 LYS 13 2HE LYS 13 1.528 2.590 -12.025 124 HE3 LYS 13 1HE LYS 13 1.665 2.331 -10.288 125 HZ1 LYS 13 3HZ LYS 13 0.568 4.896 -11.063 126 HZ2 LYS 13 1HZ LYS 13 0.064 3.820 -9.857 127 HZ3 LYS 13 2HZ LYS 13 -0.394 3.564 -11.465 128 H GLU 14 H GLU 14 3.310 6.026 -6.039 129 HA GLU 14 HA GLU 14 6.097 5.064 -6.020 130 HB2 GLU 14 2HB GLU 14 5.042 7.067 -4.463 131 HB3 GLU 14 1HB GLU 14 4.905 5.662 -3.405 132 HG2 GLU 14 2HG GLU 14 6.997 6.914 -3.089 133 HG3 GLU 14 1HG GLU 14 7.265 5.242 -3.578 134 H GLU 15 H GLU 15 6.564 3.164 -4.843 135 HA GLU 15 HA GLU 15 4.206 1.468 -4.344 136 HB2 GLU 15 2HB GLU 15 6.949 0.760 -5.378 137 HB3 GLU 15 1HB GLU 15 5.810 -0.449 -4.796 138 HG2 GLU 15 2HG GLU 15 4.181 0.544 -6.500 139 HG3 GLU 15 1HG GLU 15 5.597 1.329 -7.198 140 H ALA 16 H ALA 16 3.935 0.672 -2.370 141 HA ALA 16 HA ALA 16 6.155 0.922 -0.450 142 HB1 ALA 16 1HB ALA 16 4.706 1.597 1.141 143 HB2 ALA 16 2HB ALA 16 3.435 0.502 0.597 144 HB3 ALA 16 3HB ALA 16 3.698 2.032 -0.240 145 H ILE 17 H ILE 17 6.801 -0.851 0.713 146 HA ILE 17 HA ILE 17 5.233 -3.300 0.537 147 HB ILE 17 HB ILE 17 6.943 -4.677 -0.357 148 HG12 ILE 17 2HG1 ILE 17 8.860 -2.420 -0.800 149 HG13 ILE 17 1HG1 ILE 17 8.800 -3.168 0.793 150 HG21 ILE 17 1HG2 ILE 17 5.597 -3.199 -1.918 151 HG22 ILE 17 2HG2 ILE 17 7.067 -3.914 -2.578 152 HG23 ILE 17 3HG2 ILE 17 7.054 -2.221 -2.084 153 HD11 ILE 17 3HD1 ILE 17 8.914 -5.174 -1.258 154 HD12 ILE 17 1HD1 ILE 17 9.999 -4.880 0.093 155 HD13 ILE 17 2HD1 ILE 17 10.231 -4.019 -1.429 156 H LYS 18 H LYS 18 6.079 -5.043 1.899 157 HA LYS 18 HA LYS 18 8.032 -4.509 3.894 158 HB2 LYS 18 2HB LYS 18 6.450 -3.016 4.840 159 HB3 LYS 18 1HB LYS 18 5.118 -4.138 4.561 160 HG2 LYS 18 2HG LYS 18 5.345 -4.724 6.697 161 HG3 LYS 18 1HG LYS 18 6.830 -5.547 6.222 162 HD2 LYS 18 2HD LYS 18 7.032 -2.640 6.731 163 HD3 LYS 18 1HD LYS 18 6.741 -3.671 8.132 164 HE2 LYS 18 2HE LYS 18 9.017 -3.728 8.103 165 HE3 LYS 18 1HE LYS 18 8.681 -5.091 7.037 166 HZ1 LYS 18 3HZ LYS 18 10.074 -4.005 5.678 167 HZ2 LYS 18 1HZ LYS 18 9.843 -2.506 6.426 168 HZ3 LYS 18 2HZ LYS 18 8.724 -3.075 5.293 169 H GLU 19 H GLU 19 8.605 -6.361 4.965 170 HA GLU 19 HA GLU 19 7.166 -8.792 4.171 171 HB2 GLU 19 2HB GLU 19 9.220 -9.989 4.722 172 HB3 GLU 19 1HB GLU 19 9.533 -8.703 3.564 173 HG2 GLU 19 2HG GLU 19 9.914 -7.532 6.060 174 HG3 GLU 19 1HG GLU 19 10.650 -9.132 6.183 175 H ALA 20 H ALA 20 5.818 -9.625 5.613 176 HA ALA 20 HA ALA 20 6.615 -9.693 8.431 177 HB1 ALA 20 1HB ALA 20 4.900 -8.482 9.212 178 HB2 ALA 20 2HB ALA 20 3.755 -9.190 8.070 179 HB3 ALA 20 3HB ALA 20 4.791 -7.853 7.568 180 H VAL 21 H VAL 21 5.029 -11.124 9.700 181 HA VAL 21 HA VAL 21 4.718 -13.595 8.183 182 HB VAL 21 HB VAL 21 4.271 -14.611 10.434 183 HG11 VAL 21 1HG1 VAL 21 6.546 -14.722 11.027 184 HG12 VAL 21 2HG1 VAL 21 6.872 -13.105 10.400 185 HG13 VAL 21 3HG1 VAL 21 6.534 -14.431 9.287 186 HG21 VAL 21 3HG2 VAL 21 4.553 -13.385 12.419 187 HG22 VAL 21 1HG2 VAL 21 3.518 -12.379 11.407 188 HG23 VAL 21 2HG2 VAL 21 5.232 -11.999 11.568 189 H ASP 22 H ASP 22 2.802 -11.217 8.073 190 HA ASP 22 HA ASP 22 0.422 -12.698 7.823 191 HB2 ASP 22 2HB ASP 22 0.879 -12.174 10.446 192 HB3 ASP 22 1HB ASP 22 -0.027 -10.735 9.988 193 H ALA 23 H ALA 23 -1.496 -10.725 8.163 194 HA ALA 23 HA ALA 23 -0.627 -8.771 6.148 195 HB1 ALA 23 1HB ALA 23 -3.097 -8.443 5.796 196 HB2 ALA 23 2HB ALA 23 -3.352 -9.815 6.875 197 HB3 ALA 23 3HB ALA 23 -2.470 -10.032 5.364 198 H GLY 24 H GLY 24 -2.232 -9.059 9.283 199 HA2 GLY 24 2HA GLY 24 -3.104 -6.489 9.718 200 HA3 GLY 24 1HA GLY 24 -2.444 -7.516 10.983 201 H THR 25 H THR 25 0.186 -7.681 9.767 202 HA THR 25 HA THR 25 1.270 -5.230 10.830 203 HB THR 25 HB THR 25 2.895 -7.340 9.446 204 HG1 THR 25 1HG THR 25 1.790 -7.503 12.050 205 HG21 THR 25 3HG2 THR 25 3.685 -5.102 10.710 206 HG22 THR 25 1HG2 THR 25 4.652 -6.574 10.604 207 HG23 THR 25 2HG2 THR 25 3.695 -6.250 12.049 208 H ALA 26 H ALA 26 0.619 -6.619 7.706 209 HA ALA 26 HA ALA 26 2.299 -4.777 6.260 210 HB1 ALA 26 1HB ALA 26 1.574 -7.143 5.539 211 HB2 ALA 26 2HB ALA 26 1.609 -5.869 4.321 212 HB3 ALA 26 3HB ALA 26 0.074 -6.367 5.032 213 H GLU 27 H GLU 27 -1.143 -5.106 6.991 214 HA GLU 27 HA GLU 27 -2.020 -2.920 5.423 215 HB2 GLU 27 2HB GLU 27 -3.544 -4.668 6.236 216 HB3 GLU 27 1HB GLU 27 -3.271 -4.143 7.892 217 HG2 GLU 27 2HG GLU 27 -4.178 -1.890 7.181 218 HG3 GLU 27 1HG GLU 27 -4.696 -2.681 5.692 219 H LYS 28 H LYS 28 -1.599 -3.178 8.961 220 HA LYS 28 HA LYS 28 -1.993 -0.495 9.570 221 HB2 LYS 28 2HB LYS 28 -0.688 -2.797 10.897 222 HB3 LYS 28 1HB LYS 28 -0.213 -1.207 11.480 223 HG2 LYS 28 2HG LYS 28 -2.338 -0.708 12.246 224 HG3 LYS 28 1HG LYS 28 -3.105 -1.896 11.191 225 HD2 LYS 28 2HD LYS 28 -2.056 -3.697 12.530 226 HD3 LYS 28 1HD LYS 28 -1.409 -2.470 13.621 227 HE2 LYS 28 2HE LYS 28 -4.028 -1.781 13.574 228 HE3 LYS 28 1HE LYS 28 -4.142 -3.528 13.363 229 HZ1 LYS 28 3HZ LYS 28 -2.846 -2.065 15.593 230 HZ2 LYS 28 1HZ LYS 28 -2.675 -3.732 15.352 231 HZ3 LYS 28 2HZ LYS 28 -4.200 -3.075 15.675 232 H TYR 29 H TYR 29 0.956 -2.166 8.564 233 HA TYR 29 HA TYR 29 2.660 0.095 8.952 234 HB2 TYR 29 2HB TYR 29 3.643 -2.120 8.951 235 HB3 TYR 29 1HB TYR 29 3.030 -2.436 7.325 236 HD1 TYR 29 1HD TYR 29 4.034 -1.212 5.385 237 HD2 TYR 29 2HD TYR 29 5.674 -0.952 9.302 238 HE1 TYR 29 1HE TYR 29 6.134 -0.352 4.442 239 HE2 TYR 29 2HE TYR 29 7.779 -0.090 8.369 240 HH TYR 29 HH TYR 29 8.443 1.182 6.189 241 H PHE 30 H PHE 30 0.977 -1.303 6.165 242 HA PHE 30 HA PHE 30 1.985 0.487 4.230 243 HB2 PHE 30 2HB PHE 30 -0.329 -1.389 4.398 244 HB3 PHE 30 1HB PHE 30 -0.392 -0.135 3.158 245 HD1 PHE 30 1HD PHE 30 2.978 -1.012 3.782 246 HD2 PHE 30 2HD PHE 30 -0.540 -2.338 1.786 247 HE1 PHE 30 1HE PHE 30 4.353 -2.413 2.298 248 HE2 PHE 30 2HE PHE 30 0.832 -3.741 0.300 249 HZ PHE 30 HZ PHE 30 3.279 -3.777 0.555 250 H LYS 31 H LYS 31 -0.885 0.540 6.290 251 HA LYS 31 HA LYS 31 -2.082 2.851 5.294 252 HB2 LYS 31 2HB LYS 31 -2.904 1.122 7.058 253 HB3 LYS 31 1HB LYS 31 -2.132 2.192 8.221 254 HG2 LYS 31 2HG LYS 31 -3.736 3.771 6.487 255 HG3 LYS 31 1HG LYS 31 -4.700 2.406 7.052 256 HD2 LYS 31 2HD LYS 31 -3.084 3.696 9.133 257 HD3 LYS 31 1HD LYS 31 -4.323 4.734 8.424 258 HE2 LYS 31 2HE LYS 31 -6.055 3.284 9.058 259 HE3 LYS 31 1HE LYS 31 -4.943 1.949 9.357 260 HZ1 LYS 31 3HZ LYS 31 -5.943 3.407 11.301 261 HZ2 LYS 31 1HZ LYS 31 -4.590 4.364 10.958 262 HZ3 LYS 31 2HZ LYS 31 -4.390 2.743 11.391 263 H LEU 32 H LEU 32 0.580 2.458 7.569 264 HA LEU 32 HA LEU 32 0.638 5.149 8.461 265 HB2 LEU 32 2HB LEU 32 2.725 2.973 8.467 266 HB3 LEU 32 1HB LEU 32 2.966 4.551 9.202 267 HG LEU 32 HG LEU 32 1.793 2.224 10.336 268 HD11 LEU 32 1HD1 LEU 32 2.259 5.032 11.291 269 HD12 LEU 32 2HD1 LEU 32 3.263 3.606 11.561 270 HD13 LEU 32 3HD1 LEU 32 1.688 3.736 12.343 271 HD21 LEU 32 3HD2 LEU 32 -0.128 4.543 10.136 272 HD22 LEU 32 1HD2 LEU 32 -0.293 3.183 11.248 273 HD23 LEU 32 2HD2 LEU 32 -0.370 2.912 9.508 274 H ILE 33 H ILE 33 2.248 3.416 5.828 275 HA ILE 33 HA ILE 33 3.838 5.710 5.096 276 HB ILE 33 HB ILE 33 4.689 3.425 4.737 277 HG12 ILE 33 2HG1 ILE 33 4.951 3.880 2.055 278 HG13 ILE 33 1HG1 ILE 33 4.482 5.475 2.635 279 HG21 ILE 33 1HG2 ILE 33 3.789 2.106 2.833 280 HG22 ILE 33 2HG2 ILE 33 2.435 3.232 2.751 281 HG23 ILE 33 3HG2 ILE 33 2.680 2.253 4.194 282 HD11 ILE 33 3HD1 ILE 33 6.988 4.811 2.496 283 HD12 ILE 33 1HD1 ILE 33 6.659 3.994 4.024 284 HD13 ILE 33 2HD1 ILE 33 6.392 5.731 3.879 285 H ALA 34 H ALA 34 0.884 4.144 4.005 286 HA ALA 34 HA ALA 34 0.552 5.561 1.597 287 HB1 ALA 34 1HB ALA 34 -1.171 3.936 3.362 288 HB2 ALA 34 2HB ALA 34 -0.911 3.833 1.621 289 HB3 ALA 34 3HB ALA 34 -1.994 5.058 2.281 290 H ASN 35 H ASN 35 -1.135 6.074 4.699 291 HA ASN 35 HA ASN 35 -2.285 8.522 4.035 292 HB2 ASN 35 2HB ASN 35 -2.021 6.885 6.380 293 HB3 ASN 35 1HB ASN 35 -1.752 8.569 6.816 294 HD21 ASN 35 1HD2 ASN 35 -3.468 9.744 4.889 295 HD22 ASN 35 2HD2 ASN 35 -5.092 9.362 5.330 296 H ALA 36 H ALA 36 0.891 7.789 5.392 297 HA ALA 36 HA ALA 36 1.589 10.466 6.013 298 HB1 ALA 36 1HB ALA 36 3.951 9.516 5.986 299 HB2 ALA 36 2HB ALA 36 3.198 7.962 5.624 300 HB3 ALA 36 3HB ALA 36 2.810 8.802 7.126 301 H LYS 37 H LYS 37 1.576 8.650 3.065 302 HA LYS 37 HA LYS 37 3.264 10.644 1.735 303 HB2 LYS 37 2HB LYS 37 2.289 7.912 0.919 304 HB3 LYS 37 1HB LYS 37 3.034 9.018 -0.227 305 HG2 LYS 37 2HG LYS 37 4.827 9.023 1.843 306 HG3 LYS 37 1HG LYS 37 4.247 7.356 1.837 307 HD2 LYS 37 2HD LYS 37 6.113 7.399 0.387 308 HD3 LYS 37 1HD LYS 37 4.690 7.351 -0.657 309 HE2 LYS 37 2HE LYS 37 6.506 8.976 -1.326 310 HE3 LYS 37 1HE LYS 37 4.880 9.639 -1.183 311 HZ1 LYS 37 3HZ LYS 37 5.444 10.875 0.608 312 HZ2 LYS 37 1HZ LYS 37 6.984 10.785 -0.087 313 HZ3 LYS 37 2HZ LYS 37 6.568 9.756 1.190 314 H THR 38 H THR 38 -0.011 9.412 1.833 315 HA THR 38 HA THR 38 -0.885 11.704 0.267 316 HB THR 38 HB THR 38 -2.516 9.930 -0.872 317 HG1 THR 38 1HG THR 38 -1.413 8.028 -1.311 318 HG21 THR 38 3HG2 THR 38 -1.457 10.330 -2.801 319 HG22 THR 38 1HG2 THR 38 0.118 9.859 -2.163 320 HG23 THR 38 2HG2 THR 38 -0.527 11.465 -1.819 321 H VAL 39 H VAL 39 -3.484 11.406 0.078 322 HA VAL 39 HA VAL 39 -4.626 10.323 2.507 323 HB VAL 39 HB VAL 39 -5.652 12.460 3.199 324 HG11 VAL 39 1HG1 VAL 39 -3.404 11.532 4.058 325 HG12 VAL 39 2HG1 VAL 39 -3.838 13.196 4.452 326 HG13 VAL 39 3HG1 VAL 39 -2.688 12.860 3.161 327 HG21 VAL 39 3HG2 VAL 39 -3.779 13.687 1.185 328 HG22 VAL 39 1HG2 VAL 39 -4.785 14.566 2.337 329 HG23 VAL 39 2HG2 VAL 39 -5.536 13.615 1.054 330 H GLU 40 H GLU 40 -5.001 9.728 -0.242 331 HA GLU 40 HA GLU 40 -7.812 9.731 -0.392 332 HB2 GLU 40 2HB GLU 40 -6.835 12.155 -1.159 333 HB3 GLU 40 1HB GLU 40 -6.881 11.301 -2.703 334 HG2 GLU 40 2HG GLU 40 -9.211 10.927 -2.522 335 HG3 GLU 40 1HG GLU 40 -9.234 11.458 -0.841 336 H GLY 41 H GLY 41 -8.477 8.138 -1.728 337 HA2 GLY 41 2HA GLY 41 -7.555 7.373 -4.182 338 HA3 GLY 41 1HA GLY 41 -6.452 6.578 -3.061 339 H VAL 42 H VAL 42 -7.812 4.961 -4.654 340 HA VAL 42 HA VAL 42 -10.138 3.999 -3.146 341 HB VAL 42 HB VAL 42 -9.238 2.939 -5.821 342 HG11 VAL 42 1HG1 VAL 42 -11.615 2.308 -6.004 343 HG12 VAL 42 2HG1 VAL 42 -11.886 2.939 -4.381 344 HG13 VAL 42 3HG1 VAL 42 -10.817 1.558 -4.622 345 HG21 VAL 42 3HG2 VAL 42 -11.380 4.570 -6.367 346 HG22 VAL 42 1HG2 VAL 42 -9.690 4.950 -6.695 347 HG23 VAL 42 2HG2 VAL 42 -10.450 5.524 -5.211 348 H TRP 43 H TRP 43 -9.559 2.688 -1.592 349 HA TRP 43 HA TRP 43 -7.204 1.156 -1.532 350 HB2 TRP 43 2HB TRP 43 -9.598 1.632 0.124 351 HB3 TRP 43 1HB TRP 43 -8.802 0.101 0.393 352 HD1 TRP 43 HD TRP 43 -8.227 3.885 0.741 353 HE1 TRP 43 1HE TRP 43 -6.243 4.288 2.313 354 HE3 TRP 43 3HE TRP 43 -6.618 -0.954 1.293 355 HZ2 TRP 43 2HZ TRP 43 -4.262 2.799 3.613 356 HZ3 TRP 43 3HZ TRP 43 -4.600 -1.365 2.771 357 HH2 TRP 43 HH TRP 43 -3.489 0.488 3.875 358 H THR 44 H THR 44 -6.826 -0.685 -2.567 359 HA THR 44 HA THR 44 -8.945 -2.684 -2.798 360 HB THR 44 HB THR 44 -7.874 -3.056 -5.212 361 HG1 THR 44 1HG THR 44 -7.235 -1.198 -6.152 362 HG21 THR 44 3HG2 THR 44 -10.236 -2.718 -4.909 363 HG22 THR 44 1HG2 THR 44 -9.650 -1.686 -6.215 364 HG23 THR 44 2HG2 THR 44 -9.984 -0.997 -4.625 365 H TYR 45 H TYR 45 -8.014 -4.834 -3.520 366 HA TYR 45 HA TYR 45 -5.167 -5.098 -2.972 367 HB2 TYR 45 2HB TYR 45 -5.699 -5.570 -0.803 368 HB3 TYR 45 1HB TYR 45 -7.321 -6.139 -1.199 369 HD1 TYR 45 2HD TYR 45 -7.516 -8.462 -2.279 370 HD2 TYR 45 1HD TYR 45 -3.979 -7.077 -0.364 371 HE1 TYR 45 2HE TYR 45 -6.750 -10.785 -2.028 372 HE2 TYR 45 1HE TYR 45 -3.205 -9.395 -0.104 373 HH TYR 45 HH TYR 45 -4.442 -11.945 -1.771 374 H LYS 46 H LYS 46 -4.185 -6.543 -4.197 375 HA LYS 46 HA LYS 46 -5.820 -8.113 -6.032 376 HB2 LYS 46 2HB LYS 46 -2.815 -7.958 -6.116 377 HB3 LYS 46 1HB LYS 46 -3.945 -8.269 -7.434 378 HG2 LYS 46 2HG LYS 46 -4.173 -5.637 -6.114 379 HG3 LYS 46 1HG LYS 46 -2.715 -5.922 -7.064 380 HD2 LYS 46 2HD LYS 46 -5.526 -6.342 -8.074 381 HD3 LYS 46 1HD LYS 46 -4.565 -4.891 -8.363 382 HE2 LYS 46 2HE LYS 46 -3.356 -5.876 -9.969 383 HE3 LYS 46 1HE LYS 46 -3.166 -7.358 -9.030 384 HZ1 LYS 46 3HZ LYS 46 -4.503 -7.403 -11.221 385 HZ2 LYS 46 1HZ LYS 46 -5.754 -6.736 -10.290 386 HZ3 LYS 46 2HZ LYS 46 -5.101 -8.243 -9.881 387 H ASP 47 H ASP 47 -6.075 -10.231 -5.886 388 HA ASP 47 HA ASP 47 -4.774 -11.661 -3.715 389 HB2 ASP 47 2HB ASP 47 -7.320 -11.724 -4.504 390 HB3 ASP 47 1HB ASP 47 -6.704 -13.009 -5.545 391 H GLU 48 H GLU 48 -2.911 -12.605 -4.069 392 HA GLU 48 HA GLU 48 -2.370 -14.695 -5.720 393 HB2 GLU 48 2HB GLU 48 -0.904 -13.543 -7.497 394 HB3 GLU 48 1HB GLU 48 -2.644 -13.554 -7.741 395 HG2 GLU 48 2HG GLU 48 -2.354 -11.213 -6.440 396 HG3 GLU 48 1HG GLU 48 -0.806 -11.310 -7.274 397 H ILE 49 H ILE 49 -0.624 -11.619 -5.226 398 HA ILE 49 HA ILE 49 1.411 -13.135 -3.735 399 HB ILE 49 HB ILE 49 3.002 -11.315 -4.391 400 HG12 ILE 49 2HG1 ILE 49 1.445 -10.568 -6.752 401 HG13 ILE 49 1HG1 ILE 49 0.720 -10.014 -5.249 402 HG21 ILE 49 1HG2 ILE 49 2.410 -13.611 -5.641 403 HG22 ILE 49 2HG2 ILE 49 3.689 -12.519 -6.175 404 HG23 ILE 49 3HG2 ILE 49 2.106 -12.468 -6.948 405 HD11 ILE 49 3HD1 ILE 49 2.140 -8.298 -6.095 406 HD12 ILE 49 1HD1 ILE 49 3.489 -9.424 -6.259 407 HD13 ILE 49 2HD1 ILE 49 2.897 -8.984 -4.657 408 H LYS 50 H LYS 50 -1.131 -11.557 -2.990 409 HA LYS 50 HA LYS 50 -1.837 -10.261 -1.261 410 HB2 LYS 50 2HB LYS 50 0.780 -11.310 -0.380 411 HB3 LYS 50 1HB LYS 50 0.198 -9.900 0.493 412 HG2 LYS 50 2HG LYS 50 -1.357 -11.075 1.579 413 HG3 LYS 50 1HG LYS 50 -1.842 -11.949 0.125 414 HD2 LYS 50 2HD LYS 50 0.752 -12.595 1.467 415 HD3 LYS 50 1HD LYS 50 -0.760 -13.240 2.111 416 HE2 LYS 50 2HE LYS 50 -1.132 -13.885 -0.431 417 HE3 LYS 50 1HE LYS 50 0.630 -13.834 -0.447 418 HZ1 LYS 50 3HZ LYS 50 0.300 -15.983 0.160 419 HZ2 LYS 50 1HZ LYS 50 -1.163 -15.674 0.952 420 HZ3 LYS 50 2HZ LYS 50 0.302 -15.285 1.701 421 H THR 51 H THR 51 -2.127 -8.360 -2.473 422 HA THR 51 HA THR 51 -0.243 -6.261 -1.777 423 HB THR 51 HB THR 51 -0.047 -5.446 -4.090 424 HG1 THR 51 1HG THR 51 -1.293 -7.886 -4.814 425 HG21 THR 51 3HG2 THR 51 1.614 -6.864 -4.813 426 HG22 THR 51 1HG2 THR 51 0.789 -8.304 -4.220 427 HG23 THR 51 2HG2 THR 51 1.560 -7.200 -3.082 428 H PHE 52 H PHE 52 -1.069 -4.210 -1.771 429 HA PHE 52 HA PHE 52 -3.957 -3.968 -2.292 430 HB2 PHE 52 2HB PHE 52 -2.507 -2.348 -0.212 431 HB3 PHE 52 1HB PHE 52 -4.238 -2.622 -0.378 432 HD1 PHE 52 2HD PHE 52 -1.047 -4.344 0.412 433 HD2 PHE 52 1HD PHE 52 -5.282 -4.319 0.822 434 HE1 PHE 52 2HE PHE 52 -0.899 -6.195 2.025 435 HE2 PHE 52 1HE PHE 52 -5.141 -6.170 2.437 436 HZ PHE 52 HZ PHE 52 -2.947 -7.111 3.040 437 H THR 53 H THR 53 -4.667 -1.721 -2.809 438 HA THR 53 HA THR 53 -2.543 0.021 -3.765 439 HB THR 53 HB THR 53 -4.663 -1.161 -5.570 440 HG1 THR 53 1HG THR 53 -2.713 -2.345 -5.297 441 HG21 THR 53 3HG2 THR 53 -2.669 0.926 -6.424 442 HG22 THR 53 1HG2 THR 53 -4.340 1.303 -5.994 443 HG23 THR 53 2HG2 THR 53 -4.000 0.230 -7.349 444 H VAL 54 H VAL 54 -3.192 2.163 -4.196 445 HA VAL 54 HA VAL 54 -5.919 2.894 -3.402 446 HB VAL 54 HB VAL 54 -4.021 3.130 -1.538 447 HG11 VAL 54 1HG1 VAL 54 -3.027 5.284 -1.399 448 HG12 VAL 54 2HG1 VAL 54 -3.897 5.851 -2.824 449 HG13 VAL 54 3HG1 VAL 54 -2.629 4.637 -2.990 450 HG21 VAL 54 3HG2 VAL 54 -5.869 3.844 -0.550 451 HG22 VAL 54 1HG2 VAL 54 -6.551 4.373 -2.088 452 HG23 VAL 54 2HG2 VAL 54 -5.520 5.463 -1.161 453 H THR 55 H THR 55 -6.598 3.596 -5.337 454 HA THR 55 HA THR 55 -4.892 5.423 -6.866 455 HB THR 55 HB THR 55 -6.878 5.027 -8.567 456 HG1 THR 55 1HG THR 55 -7.801 2.997 -8.283 457 HG21 THR 55 3HG2 THR 55 -4.761 2.987 -7.945 458 HG22 THR 55 1HG2 THR 55 -4.676 4.306 -9.113 459 HG23 THR 55 2HG2 THR 55 -5.778 2.955 -9.386 460 H GLU 56 H GLU 56 -5.261 7.535 -6.889 461 HA GLU 56 HA GLU 56 -7.770 8.537 -5.760 462 HB2 GLU 56 2HB GLU 56 -5.733 9.403 -4.749 463 HB3 GLU 56 1HB GLU 56 -5.149 9.927 -6.318 464 HG2 GLU 56 2HG GLU 56 -7.026 11.507 -6.468 465 HG3 GLU 56 1HG GLU 56 -7.558 10.991 -4.862 Start of MODEL 2 1 H1 THR 1 1HT THR 1 4.876 -14.672 5.210 2 H2 THR 1 2HT THR 1 5.567 -13.115 5.424 3 H3 THR 1 3HT THR 1 6.099 -14.122 4.141 4 HA THR 1 HA THR 1 4.137 -13.903 2.987 5 HB THR 1 HB THR 1 2.210 -12.656 4.026 6 HG1 THR 1 1HG THR 1 3.797 -12.949 6.357 7 HG21 THR 1 1HG2 THR 1 1.322 -14.595 4.602 8 HG22 THR 1 2HG2 THR 1 2.411 -14.754 5.980 9 HG23 THR 1 3HG2 THR 1 2.916 -15.320 4.388 10 H THR 2 H THR 2 4.828 -12.520 1.495 11 HA THR 2 HA THR 2 5.749 -9.863 2.283 12 HB THR 2 HB THR 2 7.208 -11.122 0.805 13 HG1 THR 2 1HG THR 2 6.862 -8.789 0.493 14 HG21 THR 2 3HG2 THR 2 6.131 -11.167 -1.679 15 HG22 THR 2 1HG2 THR 2 4.744 -11.619 -0.688 16 HG23 THR 2 2HG2 THR 2 6.233 -12.558 -0.598 17 H TYR 3 H TYR 3 4.735 -8.000 1.763 18 HA TYR 3 HA TYR 3 2.306 -8.182 0.105 19 HB2 TYR 3 2HB TYR 3 2.669 -6.597 2.658 20 HB3 TYR 3 1HB TYR 3 1.263 -6.490 1.597 21 HD1 TYR 3 2HD TYR 3 3.179 -8.834 3.752 22 HD2 TYR 3 1HD TYR 3 -0.519 -8.002 1.822 23 HE1 TYR 3 2HE TYR 3 2.131 -10.699 4.965 24 HE2 TYR 3 1HE TYR 3 -1.577 -9.863 3.030 25 HH TYR 3 HH TYR 3 0.232 -12.180 4.785 26 H LYS 4 H LYS 4 1.791 -6.363 -1.143 27 HA LYS 4 HA LYS 4 3.824 -4.243 -1.256 28 HB2 LYS 4 2HB LYS 4 2.706 -5.785 -3.602 29 HB3 LYS 4 1HB LYS 4 3.658 -4.312 -3.755 30 HG2 LYS 4 2HG LYS 4 5.584 -5.392 -3.436 31 HG3 LYS 4 1HG LYS 4 4.933 -6.359 -2.112 32 HD2 LYS 4 2HD LYS 4 3.960 -7.922 -3.635 33 HD3 LYS 4 1HD LYS 4 4.328 -6.887 -5.016 34 HE2 LYS 4 2HE LYS 4 6.227 -8.458 -3.298 35 HE3 LYS 4 1HE LYS 4 5.960 -8.590 -5.036 36 HZ1 LYS 4 3HZ LYS 4 7.951 -7.422 -4.810 37 HZ2 LYS 4 1HZ LYS 4 7.366 -6.450 -3.556 38 HZ3 LYS 4 2HZ LYS 4 6.810 -6.217 -5.136 39 H LEU 5 H LEU 5 3.109 -2.231 -2.011 40 HA LEU 5 HA LEU 5 0.207 -1.958 -2.321 41 HB2 LEU 5 2HB LEU 5 0.375 -1.272 -0.140 42 HB3 LEU 5 1HB LEU 5 2.013 -0.658 -0.351 43 HG LEU 5 HG LEU 5 1.174 1.335 -1.446 44 HD11 LEU 5 1HD1 LEU 5 -0.960 -0.187 -2.202 45 HD12 LEU 5 2HD1 LEU 5 -0.866 1.567 -2.337 46 HD13 LEU 5 3HD1 LEU 5 -1.664 0.831 -0.947 47 HD21 LEU 5 3HD2 LEU 5 0.197 0.539 1.216 48 HD22 LEU 5 1HD2 LEU 5 -0.588 1.948 0.500 49 HD23 LEU 5 2HD2 LEU 5 1.162 1.932 0.726 50 H ILE 6 H ILE 6 -0.391 -0.781 -4.014 51 HA ILE 6 HA ILE 6 1.659 0.779 -5.421 52 HB ILE 6 HB ILE 6 -1.009 -0.163 -6.448 53 HG12 ILE 6 2HG1 ILE 6 0.543 -2.020 -5.961 54 HG13 ILE 6 1HG1 ILE 6 0.218 -1.849 -7.684 55 HG21 ILE 6 1HG2 ILE 6 0.573 1.875 -7.399 56 HG22 ILE 6 2HG2 ILE 6 -0.648 0.996 -8.319 57 HG23 ILE 6 3HG2 ILE 6 1.041 0.496 -8.393 58 HD11 ILE 6 3HD1 ILE 6 2.406 -1.874 -7.980 59 HD12 ILE 6 1HD1 ILE 6 2.711 -1.702 -6.252 60 HD13 ILE 6 2HD1 ILE 6 2.441 -0.271 -7.247 61 H LEU 7 H LEU 7 1.668 2.832 -4.777 62 HA LEU 7 HA LEU 7 -0.863 4.156 -4.136 63 HB2 LEU 7 2HB LEU 7 1.999 5.014 -3.698 64 HB3 LEU 7 1HB LEU 7 0.589 5.955 -3.229 65 HG LEU 7 HG LEU 7 0.878 3.170 -2.185 66 HD11 LEU 7 1HD1 LEU 7 3.032 4.669 -1.926 67 HD12 LEU 7 2HD1 LEU 7 2.436 3.675 -0.598 68 HD13 LEU 7 3HD1 LEU 7 2.081 5.402 -0.635 69 HD21 LEU 7 3HD2 LEU 7 -0.664 3.812 -0.668 70 HD22 LEU 7 1HD2 LEU 7 -1.044 5.024 -1.890 71 HD23 LEU 7 2HD2 LEU 7 -0.007 5.443 -0.527 72 H ASN 8 H ASN 8 -1.836 5.351 -5.618 73 HA ASN 8 HA ASN 8 -0.178 6.694 -7.649 74 HB2 ASN 8 2HB ASN 8 -1.536 4.723 -8.508 75 HB3 ASN 8 1HB ASN 8 -2.976 5.670 -8.137 76 HD21 ASN 8 1HD2 ASN 8 0.139 6.661 -9.513 77 HD22 ASN 8 2HD2 ASN 8 -0.526 7.283 -10.978 78 H LEU 9 H LEU 9 -0.145 8.723 -6.880 79 HA LEU 9 HA LEU 9 -2.730 10.006 -6.287 80 HB2 LEU 9 2HB LEU 9 -1.248 11.705 -5.062 81 HB3 LEU 9 1HB LEU 9 -1.521 10.139 -4.300 82 HG LEU 9 HG LEU 9 0.874 10.187 -5.987 83 HD11 LEU 9 1HD1 LEU 9 1.258 11.688 -3.468 84 HD12 LEU 9 2HD1 LEU 9 0.558 12.568 -4.828 85 HD13 LEU 9 3HD1 LEU 9 2.131 11.788 -4.997 86 HD21 LEU 9 3HD2 LEU 9 0.880 8.373 -4.633 87 HD22 LEU 9 1HD2 LEU 9 -0.029 9.183 -3.357 88 HD23 LEU 9 2HD2 LEU 9 1.697 9.489 -3.539 89 H LYS 10 H LYS 10 -2.367 12.556 -6.539 90 HA LYS 10 HA LYS 10 -1.814 12.925 -9.353 91 HB2 LYS 10 2HB LYS 10 -3.659 14.014 -7.714 92 HB3 LYS 10 1HB LYS 10 -2.429 15.266 -7.650 93 HG2 LYS 10 2HG LYS 10 -3.116 14.279 -10.339 94 HG3 LYS 10 1HG LYS 10 -4.372 15.188 -9.495 95 HD2 LYS 10 2HD LYS 10 -2.481 16.894 -9.027 96 HD3 LYS 10 1HD LYS 10 -1.639 16.069 -10.342 97 HE2 LYS 10 2HE LYS 10 -3.203 16.725 -11.922 98 HE3 LYS 10 1HE LYS 10 -4.459 16.988 -10.711 99 HZ1 LYS 10 3HZ LYS 10 -2.341 18.764 -11.615 100 HZ2 LYS 10 1HZ LYS 10 -2.675 18.801 -9.957 101 HZ3 LYS 10 2HZ LYS 10 -3.901 19.129 -11.075 102 H GLN 11 H GLN 11 0.529 12.232 -8.268 103 HA GLN 11 HA GLN 11 2.284 14.262 -8.996 104 HB2 GLN 11 2HB GLN 11 1.258 14.954 -6.595 105 HB3 GLN 11 1HB GLN 11 2.619 13.957 -6.064 106 HG2 GLN 11 2HG GLN 11 3.522 15.731 -8.116 107 HG3 GLN 11 1HG GLN 11 2.618 16.668 -6.921 108 HE21 GLN 11 1HE2 GLN 11 5.222 14.308 -7.274 109 HE22 GLN 11 2HE2 GLN 11 6.122 14.824 -5.893 110 H ALA 12 H ALA 12 2.995 12.319 -10.040 111 HA ALA 12 HA ALA 12 4.483 10.614 -10.326 112 HB1 ALA 12 1HB ALA 12 5.981 10.311 -8.069 113 HB2 ALA 12 2HB ALA 12 5.477 11.994 -7.941 114 HB3 ALA 12 3HB ALA 12 6.339 11.443 -9.378 115 H LYS 13 H LYS 13 5.125 8.433 -9.407 116 HA LYS 13 HA LYS 13 2.922 7.376 -7.752 117 HB2 LYS 13 2HB LYS 13 2.744 6.597 -10.050 118 HB3 LYS 13 1HB LYS 13 4.413 6.050 -10.024 119 HG2 LYS 13 2HG LYS 13 3.913 4.290 -8.545 120 HG3 LYS 13 1HG LYS 13 2.331 4.966 -8.154 121 HD2 LYS 13 2HD LYS 13 1.411 4.319 -10.186 122 HD3 LYS 13 1HD LYS 13 2.987 4.193 -10.970 123 HE2 LYS 13 2HE LYS 13 3.473 2.156 -9.917 124 HE3 LYS 13 1HE LYS 13 2.205 2.378 -8.712 125 HZ1 LYS 13 3HZ LYS 13 1.738 1.919 -11.609 126 HZ2 LYS 13 1HZ LYS 13 0.548 2.056 -10.414 127 HZ3 LYS 13 2HZ LYS 13 1.607 0.739 -10.405 128 H GLU 14 H GLU 14 3.401 6.000 -6.096 129 HA GLU 14 HA GLU 14 6.225 5.293 -5.692 130 HB2 GLU 14 2HB GLU 14 4.579 7.048 -4.061 131 HB3 GLU 14 1HB GLU 14 5.193 5.682 -3.126 132 HG2 GLU 14 2HG GLU 14 7.422 6.452 -4.470 133 HG3 GLU 14 1HG GLU 14 6.600 7.993 -4.245 134 H GLU 15 H GLU 15 6.610 3.330 -4.694 135 HA GLU 15 HA GLU 15 4.227 1.660 -4.224 136 HB2 GLU 15 2HB GLU 15 6.904 0.932 -5.408 137 HB3 GLU 15 1HB GLU 15 5.746 -0.271 -4.854 138 HG2 GLU 15 2HG GLU 15 4.137 0.444 -6.476 139 HG3 GLU 15 1HG GLU 15 5.151 1.808 -6.945 140 H ALA 16 H ALA 16 4.107 0.480 -2.393 141 HA ALA 16 HA ALA 16 6.366 0.688 -0.508 142 HB1 ALA 16 1HB ALA 16 4.942 1.078 1.244 143 HB2 ALA 16 2HB ALA 16 3.591 0.245 0.476 144 HB3 ALA 16 3HB ALA 16 4.048 1.863 -0.059 145 H ILE 17 H ILE 17 7.074 -1.157 0.475 146 HA ILE 17 HA ILE 17 5.500 -3.582 0.327 147 HB ILE 17 HB ILE 17 7.067 -4.924 -0.870 148 HG12 ILE 17 2HG1 ILE 17 8.832 -2.571 -1.482 149 HG13 ILE 17 1HG1 ILE 17 9.080 -3.488 0.001 150 HG21 ILE 17 1HG2 ILE 17 5.459 -3.607 -2.193 151 HG22 ILE 17 2HG2 ILE 17 6.938 -3.965 -3.082 152 HG23 ILE 17 3HG2 ILE 17 6.684 -2.357 -2.404 153 HD11 ILE 17 3HD1 ILE 17 9.797 -5.349 -1.109 154 HD12 ILE 17 1HD1 ILE 17 10.379 -4.074 -2.177 155 HD13 ILE 17 2HD1 ILE 17 8.910 -4.949 -2.580 156 H LYS 18 H LYS 18 6.268 -5.287 1.629 157 HA LYS 18 HA LYS 18 8.630 -5.074 3.192 158 HB2 LYS 18 2HB LYS 18 7.601 -3.380 4.440 159 HB3 LYS 18 1HB LYS 18 6.019 -4.152 4.353 160 HG2 LYS 18 2HG LYS 18 6.370 -5.292 6.237 161 HG3 LYS 18 1HG LYS 18 7.984 -5.794 5.734 162 HD2 LYS 18 2HD LYS 18 7.795 -2.959 6.423 163 HD3 LYS 18 1HD LYS 18 7.421 -4.040 7.765 164 HE2 LYS 18 2HE LYS 18 9.529 -4.994 7.755 165 HE3 LYS 18 1HE LYS 18 9.830 -4.538 6.078 166 HZ1 LYS 18 3HZ LYS 18 10.427 -2.427 6.664 167 HZ2 LYS 18 1HZ LYS 18 10.965 -3.264 8.037 168 HZ3 LYS 18 2HZ LYS 18 9.497 -2.417 8.077 169 H GLU 19 H GLU 19 9.081 -6.978 4.255 170 HA GLU 19 HA GLU 19 7.155 -9.152 3.814 171 HB2 GLU 19 2HB GLU 19 10.139 -9.202 4.261 172 HB3 GLU 19 1HB GLU 19 9.137 -10.643 4.148 173 HG2 GLU 19 2HG GLU 19 8.642 -10.250 1.889 174 HG3 GLU 19 1HG GLU 19 9.233 -8.592 1.963 175 H ALA 20 H ALA 20 5.938 -9.569 5.536 176 HA ALA 20 HA ALA 20 7.238 -9.613 8.182 177 HB1 ALA 20 1HB ALA 20 5.580 -8.423 9.144 178 HB2 ALA 20 2HB ALA 20 4.333 -9.115 8.105 179 HB3 ALA 20 3HB ALA 20 5.357 -7.811 7.504 180 H VAL 21 H VAL 21 5.678 -10.857 9.778 181 HA VAL 21 HA VAL 21 5.325 -13.499 8.589 182 HB VAL 21 HB VAL 21 4.950 -12.893 11.507 183 HG11 VAL 21 1HG1 VAL 21 4.606 -15.174 10.116 184 HG12 VAL 21 2HG1 VAL 21 5.086 -15.123 11.812 185 HG13 VAL 21 3HG1 VAL 21 6.306 -15.328 10.554 186 HG21 VAL 21 3HG2 VAL 21 7.534 -13.132 9.996 187 HG22 VAL 21 1HG2 VAL 21 7.413 -13.523 11.711 188 HG23 VAL 21 2HG2 VAL 21 7.045 -11.892 11.150 189 H ASP 22 H ASP 22 3.373 -11.168 8.296 190 HA ASP 22 HA ASP 22 1.008 -12.679 8.319 191 HB2 ASP 22 2HB ASP 22 1.581 -11.915 10.861 192 HB3 ASP 22 1HB ASP 22 0.623 -10.540 10.322 193 H ALA 23 H ALA 23 -0.916 -10.689 8.607 194 HA ALA 23 HA ALA 23 -0.158 -8.864 6.424 195 HB1 ALA 23 1HB ALA 23 -2.327 -8.931 5.622 196 HB2 ALA 23 2HB ALA 23 -2.991 -9.461 7.167 197 HB3 ALA 23 3HB ALA 23 -2.068 -10.586 6.172 198 H GLY 24 H GLY 24 -1.679 -9.055 9.595 199 HA2 GLY 24 2HA GLY 24 -2.740 -6.533 9.883 200 HA3 GLY 24 1HA GLY 24 -1.977 -7.423 11.194 201 H THR 25 H THR 25 0.626 -7.467 9.868 202 HA THR 25 HA THR 25 1.568 -4.905 10.790 203 HB THR 25 HB THR 25 3.293 -6.919 9.386 204 HG1 THR 25 1HG THR 25 2.585 -8.334 10.769 205 HG21 THR 25 3HG2 THR 25 4.078 -5.698 11.945 206 HG22 THR 25 1HG2 THR 25 3.965 -4.609 10.561 207 HG23 THR 25 2HG2 THR 25 5.027 -6.017 10.492 208 H ALA 26 H ALA 26 0.885 -6.446 7.745 209 HA ALA 26 HA ALA 26 2.365 -4.577 6.147 210 HB1 ALA 26 1HB ALA 26 0.127 -6.133 4.971 211 HB2 ALA 26 2HB ALA 26 1.497 -7.030 5.625 212 HB3 ALA 26 3HB ALA 26 1.751 -5.839 4.351 213 H GLU 27 H GLU 27 -0.987 -4.954 7.177 214 HA GLU 27 HA GLU 27 -2.033 -2.841 5.587 215 HB2 GLU 27 2HB GLU 27 -3.412 -4.662 6.567 216 HB3 GLU 27 1HB GLU 27 -3.129 -3.986 8.165 217 HG2 GLU 27 2HG GLU 27 -4.554 -2.252 7.841 218 HG3 GLU 27 1HG GLU 27 -4.251 -2.180 6.106 219 H LYS 28 H LYS 28 -1.492 -3.007 9.117 220 HA LYS 28 HA LYS 28 -1.899 -0.312 9.660 221 HB2 LYS 28 2HB LYS 28 -0.830 -2.609 11.050 222 HB3 LYS 28 1HB LYS 28 0.087 -1.166 11.455 223 HG2 LYS 28 2HG LYS 28 -1.892 -0.038 12.196 224 HG3 LYS 28 1HG LYS 28 -2.910 -1.365 11.629 225 HD2 LYS 28 2HD LYS 28 -2.718 -2.310 13.634 226 HD3 LYS 28 1HD LYS 28 -0.991 -2.515 13.337 227 HE2 LYS 28 2HE LYS 28 -2.270 -0.056 14.528 228 HE3 LYS 28 1HE LYS 28 -1.469 -1.327 15.449 229 HZ1 LYS 28 3HZ LYS 28 0.593 -0.820 14.354 230 HZ2 LYS 28 1HZ LYS 28 -0.034 0.600 15.027 231 HZ3 LYS 28 2HZ LYS 28 -0.156 0.328 13.362 232 H TYR 29 H TYR 29 0.991 -1.950 8.492 233 HA TYR 29 HA TYR 29 2.690 0.343 8.846 234 HB2 TYR 29 2HB TYR 29 3.660 -1.915 8.857 235 HB3 TYR 29 1HB TYR 29 3.111 -2.167 7.196 236 HD1 TYR 29 1HD TYR 29 4.027 -0.457 5.439 237 HD2 TYR 29 2HD TYR 29 5.798 -1.136 9.246 238 HE1 TYR 29 1HE TYR 29 6.149 0.465 4.609 239 HE2 TYR 29 2HE TYR 29 7.925 -0.215 8.426 240 HH TYR 29 HH TYR 29 8.500 0.411 5.102 241 H PHE 30 H PHE 30 0.978 -1.164 6.137 242 HA PHE 30 HA PHE 30 1.907 0.604 4.141 243 HB2 PHE 30 2HB PHE 30 -0.432 -1.264 4.375 244 HB3 PHE 30 1HB PHE 30 -0.376 -0.116 3.037 245 HD1 PHE 30 1HD PHE 30 2.909 -1.053 3.964 246 HD2 PHE 30 2HD PHE 30 -0.512 -2.403 1.819 247 HE1 PHE 30 1HE PHE 30 4.326 -2.612 2.693 248 HE2 PHE 30 2HE PHE 30 0.903 -3.965 0.544 249 HZ PHE 30 HZ PHE 30 3.322 -4.069 0.982 250 H LYS 31 H LYS 31 -0.897 0.630 6.283 251 HA LYS 31 HA LYS 31 -2.173 2.897 5.251 252 HB2 LYS 31 2HB LYS 31 -2.915 1.146 7.057 253 HB3 LYS 31 1HB LYS 31 -2.214 2.297 8.185 254 HG2 LYS 31 2HG LYS 31 -4.192 3.224 6.150 255 HG3 LYS 31 1HG LYS 31 -4.741 2.409 7.617 256 HD2 LYS 31 2HD LYS 31 -2.761 4.563 8.000 257 HD3 LYS 31 1HD LYS 31 -4.354 5.071 7.436 258 HE2 LYS 31 2HE LYS 31 -5.361 3.796 9.318 259 HE3 LYS 31 1HE LYS 31 -3.734 3.460 9.908 260 HZ1 LYS 31 3HZ LYS 31 -3.393 5.896 10.040 261 HZ2 LYS 31 1HZ LYS 31 -4.597 5.327 11.083 262 HZ3 LYS 31 2HZ LYS 31 -5.025 6.120 9.652 263 H LEU 32 H LEU 32 0.451 2.580 7.605 264 HA LEU 32 HA LEU 32 0.471 5.259 8.473 265 HB2 LEU 32 2HB LEU 32 2.602 3.131 8.422 266 HB3 LEU 32 1HB LEU 32 2.853 4.718 9.132 267 HG LEU 32 HG LEU 32 1.752 2.396 10.335 268 HD11 LEU 32 1HD1 LEU 32 3.235 3.840 11.484 269 HD12 LEU 32 2HD1 LEU 32 1.686 3.922 12.325 270 HD13 LEU 32 3HD1 LEU 32 2.175 5.229 11.242 271 HD21 LEU 32 3HD2 LEU 32 -0.445 3.053 9.541 272 HD22 LEU 32 1HD2 LEU 32 -0.218 4.678 10.185 273 HD23 LEU 32 2HD2 LEU 32 -0.329 3.303 11.283 274 H ILE 33 H ILE 33 2.068 3.617 5.778 275 HA ILE 33 HA ILE 33 3.604 5.944 5.057 276 HB ILE 33 HB ILE 33 4.454 3.682 4.588 277 HG12 ILE 33 2HG1 ILE 33 4.992 4.092 2.123 278 HG13 ILE 33 1HG1 ILE 33 3.961 5.513 2.244 279 HG21 ILE 33 1HG2 ILE 33 2.037 3.531 2.819 280 HG22 ILE 33 2HG2 ILE 33 2.556 2.413 4.080 281 HG23 ILE 33 3HG2 ILE 33 3.452 2.509 2.563 282 HD11 ILE 33 3HD1 ILE 33 6.150 5.172 4.222 283 HD12 ILE 33 1HD1 ILE 33 5.443 6.644 3.559 284 HD13 ILE 33 2HD1 ILE 33 6.550 5.679 2.581 285 H ALA 34 H ALA 34 0.556 4.499 4.150 286 HA ALA 34 HA ALA 34 0.166 6.040 1.781 287 HB1 ALA 34 1HB ALA 34 -1.490 4.221 3.443 288 HB2 ALA 34 2HB ALA 34 -1.173 4.198 1.708 289 HB3 ALA 34 3HB ALA 34 -2.328 5.349 2.377 290 H ASN 35 H ASN 35 -1.438 6.190 4.967 291 HA ASN 35 HA ASN 35 -2.775 8.594 4.566 292 HB2 ASN 35 2HB ASN 35 -2.521 6.772 6.643 293 HB3 ASN 35 1HB ASN 35 -1.868 8.261 7.320 294 HD21 ASN 35 1HD2 ASN 35 -3.525 10.029 5.773 295 HD22 ASN 35 2HD2 ASN 35 -5.127 9.897 6.403 296 H ALA 36 H ALA 36 0.531 7.997 5.623 297 HA ALA 36 HA ALA 36 1.063 10.711 6.352 298 HB1 ALA 36 1HB ALA 36 3.077 8.577 5.668 299 HB2 ALA 36 2HB ALA 36 2.295 8.723 7.242 300 HB3 ALA 36 3HB ALA 36 3.329 10.022 6.647 301 H LYS 37 H LYS 37 1.302 8.830 3.416 302 HA LYS 37 HA LYS 37 2.844 10.856 2.036 303 HB2 LYS 37 2HB LYS 37 1.754 8.163 1.331 304 HB3 LYS 37 1HB LYS 37 2.192 9.267 0.036 305 HG2 LYS 37 2HG LYS 37 4.353 9.319 1.800 306 HG3 LYS 37 1HG LYS 37 3.870 7.628 1.699 307 HD2 LYS 37 2HD LYS 37 5.349 7.791 -0.067 308 HD3 LYS 37 1HD LYS 37 3.802 8.063 -0.864 309 HE2 LYS 37 2HE LYS 37 6.079 9.876 -0.468 310 HE3 LYS 37 1HE LYS 37 4.873 9.834 -1.753 311 HZ1 LYS 37 3HZ LYS 37 3.295 10.884 -0.211 312 HZ2 LYS 37 1HZ LYS 37 4.654 11.854 -0.502 313 HZ3 LYS 37 2HZ LYS 37 4.515 11.005 0.956 314 H THR 38 H THR 38 -0.488 9.798 2.269 315 HA THR 38 HA THR 38 -1.496 12.254 1.318 316 HB THR 38 HB THR 38 -2.707 10.899 -0.674 317 HG1 THR 38 1HG THR 38 -1.605 9.043 -0.639 318 HG21 THR 38 3HG2 THR 38 -0.672 12.863 -0.525 319 HG22 THR 38 1HG2 THR 38 -1.807 12.546 -1.837 320 HG23 THR 38 2HG2 THR 38 -0.247 11.724 -1.802 321 H VAL 39 H VAL 39 -3.988 11.789 0.607 322 HA VAL 39 HA VAL 39 -5.162 9.692 2.225 323 HB VAL 39 HB VAL 39 -4.863 11.511 3.846 324 HG11 VAL 39 1HG1 VAL 39 -5.220 13.235 1.843 325 HG12 VAL 39 2HG1 VAL 39 -5.498 13.661 3.534 326 HG13 VAL 39 3HG1 VAL 39 -6.858 13.233 2.497 327 HG21 VAL 39 3HG2 VAL 39 -6.789 10.957 4.828 328 HG22 VAL 39 1HG2 VAL 39 -7.170 10.075 3.348 329 HG23 VAL 39 2HG2 VAL 39 -7.748 11.727 3.565 330 H GLU 40 H GLU 40 -5.326 9.619 -0.382 331 HA GLU 40 HA GLU 40 -8.112 9.907 -0.920 332 HB2 GLU 40 2HB GLU 40 -6.308 12.032 -1.755 333 HB3 GLU 40 1HB GLU 40 -7.146 11.302 -3.126 334 HG2 GLU 40 2HG GLU 40 -9.285 11.762 -2.110 335 HG3 GLU 40 1HG GLU 40 -8.497 12.380 -0.661 336 H GLY 41 H GLY 41 -8.546 8.074 -1.946 337 HA2 GLY 41 2HA GLY 41 -7.641 7.317 -4.431 338 HA3 GLY 41 1HA GLY 41 -6.508 6.581 -3.302 339 H VAL 42 H VAL 42 -7.843 4.900 -4.860 340 HA VAL 42 HA VAL 42 -10.106 3.898 -3.284 341 HB VAL 42 HB VAL 42 -10.587 2.426 -5.214 342 HG11 VAL 42 1HG1 VAL 42 -10.382 5.316 -6.039 343 HG12 VAL 42 2HG1 VAL 42 -11.611 4.682 -4.945 344 HG13 VAL 42 3HG1 VAL 42 -11.540 4.115 -6.614 345 HG21 VAL 42 3HG2 VAL 42 -8.261 3.882 -6.454 346 HG22 VAL 42 1HG2 VAL 42 -9.460 2.992 -7.389 347 HG23 VAL 42 2HG2 VAL 42 -8.449 2.145 -6.220 348 H TRP 43 H TRP 43 -9.547 2.539 -1.783 349 HA TRP 43 HA TRP 43 -7.134 1.080 -1.734 350 HB2 TRP 43 2HB TRP 43 -9.527 1.495 -0.059 351 HB3 TRP 43 1HB TRP 43 -8.697 -0.020 0.196 352 HD1 TRP 43 HD TRP 43 -8.112 3.781 0.416 353 HE1 TRP 43 1HE TRP 43 -6.183 4.236 2.040 354 HE3 TRP 43 3HE TRP 43 -6.617 -1.051 1.303 355 HZ2 TRP 43 2HZ TRP 43 -4.285 2.790 3.497 356 HZ3 TRP 43 3HZ TRP 43 -4.668 -1.409 2.882 357 HH2 TRP 43 HH TRP 43 -3.566 0.487 3.922 358 H THR 44 H THR 44 -6.845 -0.541 -3.165 359 HA THR 44 HA THR 44 -8.940 -2.609 -3.336 360 HB THR 44 HB THR 44 -7.940 -3.080 -5.646 361 HG1 THR 44 1HG THR 44 -6.872 -0.498 -5.175 362 HG21 THR 44 3HG2 THR 44 -9.536 -0.633 -5.028 363 HG22 THR 44 1HG2 THR 44 -10.049 -2.148 -5.771 364 HG23 THR 44 2HG2 THR 44 -9.059 -1.010 -6.685 365 H TYR 45 H TYR 45 -8.144 -4.807 -3.634 366 HA TYR 45 HA TYR 45 -5.301 -5.186 -3.103 367 HB2 TYR 45 2HB TYR 45 -5.724 -5.420 -0.894 368 HB3 TYR 45 1HB TYR 45 -7.443 -5.732 -1.142 369 HD1 TYR 45 1HD TYR 45 -8.202 -8.044 -1.664 370 HD2 TYR 45 2HD TYR 45 -4.164 -7.195 -0.631 371 HE1 TYR 45 1HE TYR 45 -7.828 -10.428 -1.191 372 HE2 TYR 45 2HE TYR 45 -3.778 -9.576 -0.155 373 HH TYR 45 HH TYR 45 -5.713 -11.992 -1.177 374 H LYS 46 H LYS 46 -4.444 -7.081 -3.798 375 HA LYS 46 HA LYS 46 -6.245 -8.838 -5.329 376 HB2 LYS 46 2HB LYS 46 -3.305 -8.560 -5.896 377 HB3 LYS 46 1HB LYS 46 -4.586 -9.132 -6.962 378 HG2 LYS 46 2HG LYS 46 -5.379 -6.573 -6.473 379 HG3 LYS 46 1HG LYS 46 -3.622 -6.417 -6.459 380 HD2 LYS 46 2HD LYS 46 -4.995 -7.926 -8.641 381 HD3 LYS 46 1HD LYS 46 -4.908 -6.168 -8.701 382 HE2 LYS 46 2HE LYS 46 -2.430 -7.755 -8.191 383 HE3 LYS 46 1HE LYS 46 -3.051 -7.613 -9.830 384 HZ1 LYS 46 3HZ LYS 46 -3.124 -5.072 -9.055 385 HZ2 LYS 46 1HZ LYS 46 -1.795 -5.766 -9.828 386 HZ3 LYS 46 2HZ LYS 46 -1.800 -5.612 -8.152 387 H ASP 47 H ASP 47 -5.964 -11.064 -5.168 388 HA ASP 47 HA ASP 47 -4.513 -11.921 -2.782 389 HB2 ASP 47 2HB ASP 47 -6.916 -12.522 -3.079 390 HB3 ASP 47 1HB ASP 47 -6.460 -13.495 -4.478 391 H GLU 48 H GLU 48 -3.999 -11.839 -6.101 392 HA GLU 48 HA GLU 48 -2.819 -14.323 -6.615 393 HB2 GLU 48 2HB GLU 48 -1.835 -11.720 -7.811 394 HB3 GLU 48 1HB GLU 48 -1.702 -13.325 -8.499 395 HG2 GLU 48 2HG GLU 48 -3.392 -12.430 -9.747 396 HG3 GLU 48 1HG GLU 48 -4.316 -13.258 -8.500 397 H ILE 49 H ILE 49 -1.501 -11.502 -4.986 398 HA ILE 49 HA ILE 49 0.632 -13.128 -3.931 399 HB ILE 49 HB ILE 49 2.401 -11.448 -4.649 400 HG12 ILE 49 2HG1 ILE 49 1.097 -10.846 -7.155 401 HG13 ILE 49 1HG1 ILE 49 0.165 -10.199 -5.815 402 HG21 ILE 49 1HG2 ILE 49 1.416 -12.897 -7.048 403 HG22 ILE 49 2HG2 ILE 49 1.800 -13.830 -5.602 404 HG23 ILE 49 3HG2 ILE 49 3.036 -12.821 -6.352 405 HD11 ILE 49 3HD1 ILE 49 2.679 -9.304 -6.932 406 HD12 ILE 49 1HD1 ILE 49 2.753 -9.506 -5.188 407 HD13 ILE 49 2HD1 ILE 49 1.531 -8.456 -5.906 408 H LYS 50 H LYS 50 -1.599 -11.609 -2.861 409 HA LYS 50 HA LYS 50 -2.111 -10.082 -1.239 410 HB2 LYS 50 2HB LYS 50 0.710 -10.615 -0.305 411 HB3 LYS 50 1HB LYS 50 -0.655 -10.097 0.675 412 HG2 LYS 50 2HG LYS 50 -1.273 -12.547 -0.701 413 HG3 LYS 50 1HG LYS 50 0.221 -12.707 0.223 414 HD2 LYS 50 2HD LYS 50 -0.845 -12.573 2.203 415 HD3 LYS 50 1HD LYS 50 -1.963 -11.334 1.631 416 HE2 LYS 50 2HE LYS 50 -2.972 -13.314 0.250 417 HE3 LYS 50 1HE LYS 50 -2.171 -14.307 1.467 418 HZ1 LYS 50 3HZ LYS 50 -3.366 -12.975 3.170 419 HZ2 LYS 50 1HZ LYS 50 -4.385 -13.897 2.182 420 HZ3 LYS 50 2HZ LYS 50 -4.239 -12.231 1.927 421 H THR 51 H THR 51 -2.283 -8.226 -2.525 422 HA THR 51 HA THR 51 -0.303 -6.203 -1.928 423 HB THR 51 HB THR 51 -0.942 -6.968 -4.782 424 HG1 THR 51 1HG THR 51 1.363 -7.186 -3.174 425 HG21 THR 51 3HG2 THR 51 1.004 -4.847 -3.963 426 HG22 THR 51 1HG2 THR 51 -0.682 -4.476 -4.322 427 HG23 THR 51 2HG2 THR 51 0.347 -5.193 -5.562 428 H PHE 52 H PHE 52 -1.191 -4.263 -1.658 429 HA PHE 52 HA PHE 52 -4.000 -3.926 -2.460 430 HB2 PHE 52 2HB PHE 52 -2.703 -2.229 -0.358 431 HB3 PHE 52 1HB PHE 52 -4.399 -2.660 -0.546 432 HD1 PHE 52 1HD PHE 52 -1.085 -4.125 0.292 433 HD2 PHE 52 2HD PHE 52 -5.310 -4.355 0.740 434 HE1 PHE 52 1HE PHE 52 -0.806 -5.915 1.956 435 HE2 PHE 52 2HE PHE 52 -5.040 -6.146 2.407 436 HZ PHE 52 HZ PHE 52 -2.785 -6.926 3.017 437 H THR 53 H THR 53 -4.661 -1.679 -2.994 438 HA THR 53 HA THR 53 -2.499 0.051 -3.882 439 HB THR 53 HB THR 53 -4.586 -1.091 -5.755 440 HG1 THR 53 1HG THR 53 -2.942 -2.452 -5.814 441 HG21 THR 53 3HG2 THR 53 -3.824 0.276 -7.509 442 HG22 THR 53 1HG2 THR 53 -2.486 0.911 -6.551 443 HG23 THR 53 2HG2 THR 53 -4.149 1.364 -6.162 444 H VAL 54 H VAL 54 -3.142 2.204 -4.315 445 HA VAL 54 HA VAL 54 -5.894 2.906 -3.580 446 HB VAL 54 HB VAL 54 -3.996 3.163 -1.701 447 HG11 VAL 54 1HG1 VAL 54 -3.973 5.885 -2.995 448 HG12 VAL 54 2HG1 VAL 54 -2.645 4.729 -3.098 449 HG13 VAL 54 3HG1 VAL 54 -3.124 5.384 -1.533 450 HG21 VAL 54 3HG2 VAL 54 -5.428 5.072 -0.799 451 HG22 VAL 54 1HG2 VAL 54 -6.233 3.548 -1.169 452 HG23 VAL 54 2HG2 VAL 54 -6.363 4.906 -2.285 453 H THR 55 H THR 55 -6.563 3.632 -5.511 454 HA THR 55 HA THR 55 -4.851 5.532 -6.959 455 HB THR 55 HB THR 55 -7.312 4.318 -8.152 456 HG1 THR 55 1HG THR 55 -4.791 3.032 -7.989 457 HG21 THR 55 3HG2 THR 55 -5.224 4.208 -9.954 458 HG22 THR 55 1HG2 THR 55 -4.991 5.742 -9.116 459 HG23 THR 55 2HG2 THR 55 -6.524 5.398 -9.916 460 H GLU 56 H GLU 56 -5.381 7.611 -7.084 461 HA GLU 56 HA GLU 56 -7.942 8.471 -5.977 462 HB2 GLU 56 2HB GLU 56 -5.842 9.504 -5.157 463 HB3 GLU 56 1HB GLU 56 -5.542 10.117 -6.776 464 HG2 GLU 56 2HG GLU 56 -8.065 10.784 -5.314 465 HG3 GLU 56 1HG GLU 56 -6.579 11.684 -5.031 Start of MODEL 3 1 H1 THR 1 1HT THR 1 4.913 -14.924 5.296 2 H2 THR 1 2HT THR 1 5.071 -13.334 5.924 3 H3 THR 1 3HT THR 1 6.239 -13.945 4.824 4 HA THR 1 HA THR 1 4.478 -14.141 3.159 5 HB THR 1 HB THR 1 2.511 -12.518 3.796 6 HG1 THR 1 1HG THR 1 2.026 -12.643 6.015 7 HG21 THR 1 1HG2 THR 1 1.464 -14.555 5.146 8 HG22 THR 1 2HG2 THR 1 2.846 -15.382 4.425 9 HG23 THR 1 3HG2 THR 1 1.667 -14.570 3.395 10 H THR 2 H THR 2 4.137 -12.353 1.693 11 HA THR 2 HA THR 2 5.589 -9.904 2.431 12 HB THR 2 HB THR 2 5.781 -10.819 -0.383 13 HG1 THR 2 1HG THR 2 6.348 -12.733 0.434 14 HG21 THR 2 3HG2 THR 2 6.981 -8.877 -0.009 15 HG22 THR 2 1HG2 THR 2 8.210 -10.138 0.087 16 HG23 THR 2 2HG2 THR 2 7.566 -9.422 1.564 17 H TYR 3 H TYR 3 4.334 -8.182 2.225 18 HA TYR 3 HA TYR 3 2.173 -8.247 0.225 19 HB2 TYR 3 2HB TYR 3 2.246 -6.716 2.835 20 HB3 TYR 3 1HB TYR 3 0.910 -6.736 1.680 21 HD1 TYR 3 2HD TYR 3 2.885 -8.909 3.960 22 HD2 TYR 3 1HD TYR 3 -0.748 -8.393 1.805 23 HE1 TYR 3 2HE TYR 3 1.934 -10.863 5.108 24 HE2 TYR 3 1HE TYR 3 -1.711 -10.344 2.951 25 HH TYR 3 HH TYR 3 -0.980 -12.343 4.114 26 H LYS 4 H LYS 4 1.735 -6.348 -0.958 27 HA LYS 4 HA LYS 4 3.755 -4.219 -0.766 28 HB2 LYS 4 2HB LYS 4 2.834 -5.496 -3.347 29 HB3 LYS 4 1HB LYS 4 3.974 -4.162 -3.200 30 HG2 LYS 4 2HG LYS 4 5.600 -5.665 -3.181 31 HG3 LYS 4 1HG LYS 4 5.024 -6.176 -1.592 32 HD2 LYS 4 2HD LYS 4 3.595 -7.841 -2.601 33 HD3 LYS 4 1HD LYS 4 4.018 -7.273 -4.217 34 HE2 LYS 4 2HE LYS 4 6.469 -7.786 -3.091 35 HE3 LYS 4 1HE LYS 4 5.458 -9.064 -2.415 36 HZ1 LYS 4 3HZ LYS 4 4.709 -9.203 -4.937 37 HZ2 LYS 4 1HZ LYS 4 6.047 -10.056 -4.346 38 HZ3 LYS 4 2HZ LYS 4 6.271 -8.601 -5.178 39 H LEU 5 H LEU 5 3.120 -2.182 -1.461 40 HA LEU 5 HA LEU 5 0.234 -1.862 -1.926 41 HB2 LEU 5 2HB LEU 5 0.421 -1.122 0.245 42 HB3 LEU 5 1HB LEU 5 2.062 -0.527 0.008 43 HG LEU 5 HG LEU 5 1.254 1.445 -1.110 44 HD11 LEU 5 1HD1 LEU 5 -1.213 -0.139 -1.346 45 HD12 LEU 5 2HD1 LEU 5 -0.530 1.077 -2.428 46 HD13 LEU 5 3HD1 LEU 5 -1.438 1.576 -1.000 47 HD21 LEU 5 3HD2 LEU 5 0.237 0.699 1.531 48 HD22 LEU 5 1HD2 LEU 5 -0.637 2.026 0.765 49 HD23 LEU 5 2HD2 LEU 5 1.106 2.144 1.014 50 H ILE 6 H ILE 6 -0.221 -0.889 -3.781 51 HA ILE 6 HA ILE 6 1.873 0.674 -5.112 52 HB ILE 6 HB ILE 6 -0.662 -0.533 -6.224 53 HG12 ILE 6 2HG1 ILE 6 1.020 -1.890 -7.551 54 HG13 ILE 6 1HG1 ILE 6 2.260 -1.259 -6.471 55 HG21 ILE 6 1HG2 ILE 6 0.315 0.125 -8.439 56 HG22 ILE 6 2HG2 ILE 6 1.480 1.113 -7.555 57 HG23 ILE 6 3HG2 ILE 6 -0.245 1.470 -7.444 58 HD11 ILE 6 3HD1 ILE 6 1.435 -2.429 -4.646 59 HD12 ILE 6 1HD1 ILE 6 1.258 -3.565 -5.983 60 HD13 ILE 6 2HD1 ILE 6 -0.144 -2.673 -5.392 61 H LEU 7 H LEU 7 1.783 2.797 -4.881 62 HA LEU 7 HA LEU 7 -0.794 4.076 -4.322 63 HB2 LEU 7 2HB LEU 7 1.904 5.400 -4.185 64 HB3 LEU 7 1HB LEU 7 0.406 5.891 -3.402 65 HG LEU 7 HG LEU 7 1.492 3.243 -2.628 66 HD11 LEU 7 1HD1 LEU 7 2.686 5.524 -1.192 67 HD12 LEU 7 2HD1 LEU 7 3.341 5.186 -2.794 68 HD13 LEU 7 3HD1 LEU 7 3.351 3.931 -1.554 69 HD21 LEU 7 3HD2 LEU 7 0.423 5.533 -0.988 70 HD22 LEU 7 1HD2 LEU 7 0.623 3.853 -0.489 71 HD23 LEU 7 2HD2 LEU 7 -0.585 4.275 -1.703 72 H ASN 8 H ASN 8 -1.808 5.227 -5.824 73 HA ASN 8 HA ASN 8 -0.255 6.244 -8.110 74 HB2 ASN 8 2HB ASN 8 -1.720 4.202 -8.579 75 HB3 ASN 8 1HB ASN 8 -3.101 5.279 -8.329 76 HD21 ASN 8 1HD2 ASN 8 -3.186 4.286 -10.759 77 HD22 ASN 8 2HD2 ASN 8 -2.558 5.370 -11.944 78 H LEU 9 H LEU 9 -0.153 8.362 -7.622 79 HA LEU 9 HA LEU 9 -2.642 9.742 -6.885 80 HB2 LEU 9 2HB LEU 9 0.223 10.669 -6.627 81 HB3 LEU 9 1HB LEU 9 -1.196 11.576 -6.111 82 HG LEU 9 HG LEU 9 -1.101 8.911 -4.921 83 HD11 LEU 9 1HD1 LEU 9 0.773 9.947 -3.310 84 HD12 LEU 9 2HD1 LEU 9 1.319 10.602 -4.851 85 HD13 LEU 9 3HD1 LEU 9 1.141 8.856 -4.648 86 HD21 LEU 9 3HD2 LEU 9 -2.540 10.259 -3.806 87 HD22 LEU 9 1HD2 LEU 9 -1.619 11.715 -4.146 88 HD23 LEU 9 2HD2 LEU 9 -1.091 10.622 -2.870 89 H LYS 10 H LYS 10 -2.446 12.199 -7.648 90 HA LYS 10 HA LYS 10 -2.920 12.237 -10.388 91 HB2 LYS 10 2HB LYS 10 -3.555 13.963 -8.592 92 HB3 LYS 10 1HB LYS 10 -1.961 14.653 -8.876 93 HG2 LYS 10 2HG LYS 10 -2.579 14.865 -11.292 94 HG3 LYS 10 1HG LYS 10 -4.219 14.386 -10.844 95 HD2 LYS 10 2HD LYS 10 -4.557 16.590 -10.575 96 HD3 LYS 10 1HD LYS 10 -3.713 16.366 -9.042 97 HE2 LYS 10 2HE LYS 10 -2.722 18.230 -10.167 98 HE3 LYS 10 1HE LYS 10 -1.579 16.893 -10.221 99 HZ1 LYS 10 3HZ LYS 10 -3.051 18.164 -12.389 100 HZ2 LYS 10 1HZ LYS 10 -2.850 16.481 -12.496 101 HZ3 LYS 10 2HZ LYS 10 -1.497 17.490 -12.379 102 H GLN 11 H GLN 11 0.006 13.190 -8.616 103 HA GLN 11 HA GLN 11 1.591 12.635 -10.990 104 HB2 GLN 11 2HB GLN 11 1.103 15.338 -9.909 105 HB3 GLN 11 1HB GLN 11 2.800 14.952 -10.223 106 HG2 GLN 11 2HG GLN 11 1.275 14.083 -12.466 107 HG3 GLN 11 1HG GLN 11 0.753 15.723 -12.066 108 HE21 GLN 11 1HE2 GLN 11 3.372 13.722 -13.146 109 HE22 GLN 11 2HE2 GLN 11 4.421 15.006 -13.637 110 H ALA 12 H ALA 12 1.710 10.956 -9.047 111 HA ALA 12 HA ALA 12 4.354 11.022 -8.113 112 HB1 ALA 12 1HB ALA 12 3.760 12.670 -6.534 113 HB2 ALA 12 2HB ALA 12 3.823 11.148 -5.637 114 HB3 ALA 12 3HB ALA 12 2.267 11.830 -6.107 115 H LYS 13 H LYS 13 4.088 8.943 -9.104 116 HA LYS 13 HA LYS 13 2.458 7.013 -7.631 117 HB2 LYS 13 2HB LYS 13 2.235 7.039 -10.073 118 HB3 LYS 13 1HB LYS 13 3.957 6.724 -10.242 119 HG2 LYS 13 2HG LYS 13 3.759 4.534 -9.569 120 HG3 LYS 13 1HG LYS 13 2.253 4.828 -8.699 121 HD2 LYS 13 2HD LYS 13 1.351 3.819 -10.517 122 HD3 LYS 13 1HD LYS 13 1.463 5.447 -11.191 123 HE2 LYS 13 2HE LYS 13 2.413 4.120 -12.840 124 HE3 LYS 13 1HE LYS 13 3.814 4.728 -11.964 125 HZ1 LYS 13 3HZ LYS 13 3.802 2.284 -12.497 126 HZ2 LYS 13 1HZ LYS 13 2.579 2.110 -11.347 127 HZ3 LYS 13 2HZ LYS 13 4.104 2.680 -10.887 128 H GLU 14 H GLU 14 3.359 5.820 -6.099 129 HA GLU 14 HA GLU 14 6.176 5.037 -6.372 130 HB2 GLU 14 2HB GLU 14 5.950 6.976 -4.801 131 HB3 GLU 14 1HB GLU 14 4.930 5.963 -3.778 132 HG2 GLU 14 2HG GLU 14 6.930 5.669 -2.745 133 HG3 GLU 14 1HG GLU 14 7.003 4.344 -3.905 134 H GLU 15 H GLU 15 6.681 3.000 -5.644 135 HA GLU 15 HA GLU 15 4.382 1.325 -4.919 136 HB2 GLU 15 2HB GLU 15 7.003 0.745 -6.264 137 HB3 GLU 15 1HB GLU 15 6.066 -0.550 -5.528 138 HG2 GLU 15 2HG GLU 15 4.164 0.032 -6.961 139 HG3 GLU 15 1HG GLU 15 5.132 1.299 -7.715 140 H ALA 16 H ALA 16 4.251 0.355 -3.002 141 HA ALA 16 HA ALA 16 6.563 0.562 -1.191 142 HB1 ALA 16 1HB ALA 16 4.789 0.266 0.614 143 HB2 ALA 16 2HB ALA 16 3.604 0.561 -0.659 144 HB3 ALA 16 3HB ALA 16 4.794 1.801 -0.257 145 H ILE 17 H ILE 17 7.291 -1.240 -0.112 146 HA ILE 17 HA ILE 17 5.817 -3.726 -0.284 147 HB ILE 17 HB ILE 17 7.477 -5.021 -1.407 148 HG12 ILE 17 2HG1 ILE 17 9.172 -2.594 -1.952 149 HG13 ILE 17 1HG1 ILE 17 9.409 -3.534 -0.481 150 HG21 ILE 17 1HG2 ILE 17 5.866 -3.745 -2.791 151 HG22 ILE 17 2HG2 ILE 17 7.369 -4.123 -3.632 152 HG23 ILE 17 3HG2 ILE 17 7.093 -2.496 -3.009 153 HD11 ILE 17 3HD1 ILE 17 10.829 -4.038 -2.581 154 HD12 ILE 17 1HD1 ILE 17 9.390 -4.899 -3.130 155 HD13 ILE 17 2HD1 ILE 17 10.176 -5.371 -1.626 156 H LYS 18 H LYS 18 6.470 -5.303 1.150 157 HA LYS 18 HA LYS 18 8.812 -5.099 2.744 158 HB2 LYS 18 2HB LYS 18 7.815 -3.296 3.870 159 HB3 LYS 18 1HB LYS 18 6.214 -4.030 3.809 160 HG2 LYS 18 2HG LYS 18 6.508 -4.937 5.815 161 HG3 LYS 18 1HG LYS 18 8.006 -5.712 5.299 162 HD2 LYS 18 2HD LYS 18 8.945 -3.260 5.596 163 HD3 LYS 18 1HD LYS 18 7.587 -3.124 6.702 164 HE2 LYS 18 2HE LYS 18 9.735 -3.848 7.762 165 HE3 LYS 18 1HE LYS 18 8.373 -4.928 8.035 166 HZ1 LYS 18 3HZ LYS 18 9.294 -6.561 6.799 167 HZ2 LYS 18 1HZ LYS 18 10.731 -5.790 7.248 168 HZ3 LYS 18 2HZ LYS 18 10.058 -5.498 5.726 169 H GLU 19 H GLU 19 9.189 -6.982 3.844 170 HA GLU 19 HA GLU 19 7.152 -9.077 3.534 171 HB2 GLU 19 2HB GLU 19 9.583 -9.227 2.590 172 HB3 GLU 19 1HB GLU 19 10.001 -9.637 4.248 173 HG2 GLU 19 2HG GLU 19 7.743 -11.130 3.119 174 HG3 GLU 19 1HG GLU 19 9.304 -11.429 2.360 175 H ALA 20 H ALA 20 6.063 -9.674 5.277 176 HA ALA 20 HA ALA 20 7.389 -9.515 7.901 177 HB1 ALA 20 1HB ALA 20 5.984 -7.772 8.248 178 HB2 ALA 20 2HB ALA 20 4.853 -9.071 8.632 179 HB3 ALA 20 3HB ALA 20 4.826 -8.320 7.035 180 H VAL 21 H VAL 21 6.072 -10.793 9.585 181 HA VAL 21 HA VAL 21 5.584 -13.431 8.445 182 HB VAL 21 HB VAL 21 7.139 -13.235 10.342 183 HG11 VAL 21 1HG1 VAL 21 6.655 -12.206 12.269 184 HG12 VAL 21 2HG1 VAL 21 5.029 -12.884 12.335 185 HG13 VAL 21 3HG1 VAL 21 5.349 -11.455 11.353 186 HG21 VAL 21 3HG2 VAL 21 5.299 -15.175 9.900 187 HG22 VAL 21 1HG2 VAL 21 4.949 -14.757 11.576 188 HG23 VAL 21 2HG2 VAL 21 6.571 -15.270 11.118 189 H ASP 22 H ASP 22 3.611 -11.106 8.403 190 HA ASP 22 HA ASP 22 1.279 -12.658 8.837 191 HB2 ASP 22 2HB ASP 22 2.184 -11.576 11.169 192 HB3 ASP 22 1HB ASP 22 1.109 -10.299 10.602 193 H ALA 23 H ALA 23 -0.630 -10.674 9.118 194 HA ALA 23 HA ALA 23 -0.118 -8.993 6.749 195 HB1 ALA 23 1HB ALA 23 -2.642 -9.065 6.477 196 HB2 ALA 23 2HB ALA 23 -2.622 -10.389 7.643 197 HB3 ALA 23 3HB ALA 23 -1.759 -10.547 6.113 198 H GLY 24 H GLY 24 -1.662 -9.159 9.925 199 HA2 GLY 24 2HA GLY 24 -2.878 -6.693 10.079 200 HA3 GLY 24 1HA GLY 24 -2.105 -7.485 11.445 201 H THR 25 H THR 25 0.523 -7.420 10.093 202 HA THR 25 HA THR 25 1.313 -4.798 10.991 203 HB THR 25 HB THR 25 3.031 -6.918 9.694 204 HG1 THR 25 1HG THR 25 2.224 -6.590 12.382 205 HG21 THR 25 3HG2 THR 25 4.328 -5.487 11.772 206 HG22 THR 25 1HG2 THR 25 3.641 -4.329 10.632 207 HG23 THR 25 2HG2 THR 25 4.745 -5.581 10.061 208 H ALA 26 H ALA 26 0.762 -6.435 7.961 209 HA ALA 26 HA ALA 26 2.143 -4.558 6.317 210 HB1 ALA 26 1HB ALA 26 1.332 -6.990 5.796 211 HB2 ALA 26 2HB ALA 26 1.382 -5.779 4.516 212 HB3 ALA 26 3HB ALA 26 -0.151 -6.176 5.295 213 H GLU 27 H GLU 27 -1.181 -4.919 7.434 214 HA GLU 27 HA GLU 27 -2.254 -2.788 5.883 215 HB2 GLU 27 2HB GLU 27 -3.663 -4.565 6.831 216 HB3 GLU 27 1HB GLU 27 -3.270 -4.018 8.454 217 HG2 GLU 27 2HG GLU 27 -4.375 -1.895 8.024 218 HG3 GLU 27 1HG GLU 27 -4.741 -2.409 6.378 219 H LYS 28 H LYS 28 -1.594 -2.995 9.390 220 HA LYS 28 HA LYS 28 -1.978 -0.311 9.989 221 HB2 LYS 28 2HB LYS 28 -0.780 -2.622 11.284 222 HB3 LYS 28 1HB LYS 28 0.049 -1.132 11.712 223 HG2 LYS 28 2HG LYS 28 -2.933 -1.309 11.853 224 HG3 LYS 28 1HG LYS 28 -1.924 -1.930 13.161 225 HD2 LYS 28 2HD LYS 28 -0.904 0.611 12.538 226 HD3 LYS 28 1HD LYS 28 -2.660 0.784 12.552 227 HE2 LYS 28 2HE LYS 28 -1.804 1.215 14.762 228 HE3 LYS 28 1HE LYS 28 -2.708 -0.300 14.776 229 HZ1 LYS 28 3HZ LYS 28 0.228 0.072 14.842 230 HZ2 LYS 28 1HZ LYS 28 -0.482 -1.417 14.466 231 HZ3 LYS 28 2HZ LYS 28 -0.753 -0.708 15.976 232 H TYR 29 H TYR 29 0.892 -1.940 8.746 233 HA TYR 29 HA TYR 29 2.616 0.321 9.050 234 HB2 TYR 29 2HB TYR 29 3.605 -1.889 8.952 235 HB3 TYR 29 1HB TYR 29 2.880 -2.185 7.369 236 HD1 TYR 29 2HD TYR 29 3.671 -0.776 5.411 237 HD2 TYR 29 1HD TYR 29 5.709 -0.870 9.143 238 HE1 TYR 29 2HE TYR 29 5.692 0.109 4.323 239 HE2 TYR 29 1HE TYR 29 7.735 0.015 8.067 240 HH TYR 29 HH TYR 29 8.363 1.284 6.085 241 H PHE 30 H PHE 30 0.901 -1.122 6.287 242 HA PHE 30 HA PHE 30 1.743 0.757 4.375 243 HB2 PHE 30 2HB PHE 30 -0.592 -1.133 4.542 244 HB3 PHE 30 1HB PHE 30 -0.492 0.035 3.225 245 HD1 PHE 30 2HD PHE 30 2.802 -0.499 3.666 246 HD2 PHE 30 1HD PHE 30 -0.662 -2.695 2.512 247 HE1 PHE 30 2HE PHE 30 4.218 -2.066 2.407 248 HE2 PHE 30 1HE PHE 30 0.755 -4.265 1.252 249 HZ PHE 30 HZ PHE 30 3.195 -3.951 1.199 250 H LYS 31 H LYS 31 -1.061 0.663 6.531 251 HA LYS 31 HA LYS 31 -2.374 2.939 5.575 252 HB2 LYS 31 2HB LYS 31 -3.083 1.148 7.346 253 HB3 LYS 31 1HB LYS 31 -2.358 2.265 8.494 254 HG2 LYS 31 2HG LYS 31 -4.069 3.734 6.755 255 HG3 LYS 31 1HG LYS 31 -4.948 2.333 7.372 256 HD2 LYS 31 2HD LYS 31 -4.653 2.992 9.603 257 HD3 LYS 31 1HD LYS 31 -3.361 4.122 9.189 258 HE2 LYS 31 2HE LYS 31 -5.032 5.633 9.418 259 HE3 LYS 31 1HE LYS 31 -5.340 5.185 7.740 260 HZ1 LYS 31 3HZ LYS 31 -6.640 3.622 9.849 261 HZ2 LYS 31 1HZ LYS 31 -7.191 4.008 8.297 262 HZ3 LYS 31 2HZ LYS 31 -7.240 5.169 9.525 263 H LEU 32 H LEU 32 0.345 2.608 7.797 264 HA LEU 32 HA LEU 32 0.321 5.271 8.755 265 HB2 LEU 32 2HB LEU 32 2.477 3.171 8.628 266 HB3 LEU 32 1HB LEU 32 2.720 4.748 9.365 267 HG LEU 32 HG LEU 32 1.655 2.387 10.534 268 HD11 LEU 32 1HD1 LEU 32 2.080 5.198 11.505 269 HD12 LEU 32 2HD1 LEU 32 3.164 3.815 11.679 270 HD13 LEU 32 3HD1 LEU 32 1.637 3.856 12.561 271 HD21 LEU 32 3HD2 LEU 32 -0.408 3.259 11.541 272 HD22 LEU 32 1HD2 LEU 32 -0.558 3.067 9.795 273 HD23 LEU 32 2HD2 LEU 32 -0.317 4.670 10.488 274 H ILE 33 H ILE 33 1.897 3.703 6.001 275 HA ILE 33 HA ILE 33 3.382 6.072 5.306 276 HB ILE 33 HB ILE 33 4.283 3.849 4.784 277 HG12 ILE 33 2HG1 ILE 33 4.747 4.300 2.306 278 HG13 ILE 33 1HG1 ILE 33 3.693 5.699 2.477 279 HG21 ILE 33 1HG2 ILE 33 1.877 3.648 2.994 280 HG22 ILE 33 2HG2 ILE 33 2.351 2.575 4.310 281 HG23 ILE 33 3HG2 ILE 33 3.298 2.620 2.824 282 HD11 ILE 33 3HD1 ILE 33 6.316 5.848 2.780 283 HD12 ILE 33 1HD1 ILE 33 5.893 5.406 4.435 284 HD13 ILE 33 2HD1 ILE 33 5.205 6.857 3.705 285 H ALA 34 H ALA 34 0.410 4.495 4.274 286 HA ALA 34 HA ALA 34 -0.090 5.972 1.951 287 HB1 ALA 34 1HB ALA 34 -1.568 4.258 2.077 288 HB2 ALA 34 2HB ALA 34 -2.586 5.506 2.796 289 HB3 ALA 34 3HB ALA 34 -1.719 4.371 3.830 290 H ASN 35 H ASN 35 -1.749 6.454 5.069 291 HA ASN 35 HA ASN 35 -2.761 8.979 4.503 292 HB2 ASN 35 2HB ASN 35 -3.006 7.257 6.581 293 HB3 ASN 35 1HB ASN 35 -1.993 8.495 7.320 294 HD21 ASN 35 1HD2 ASN 35 -3.065 10.691 5.810 295 HD22 ASN 35 2HD2 ASN 35 -4.661 10.978 6.406 296 H ALA 36 H ALA 36 0.397 8.035 5.713 297 HA ALA 36 HA ALA 36 1.297 10.523 6.626 298 HB1 ALA 36 1HB ALA 36 2.719 8.108 5.561 299 HB2 ALA 36 2HB ALA 36 2.606 8.684 7.223 300 HB3 ALA 36 3HB ALA 36 3.599 9.554 6.053 301 H LYS 37 H LYS 37 0.847 9.317 3.409 302 HA LYS 37 HA LYS 37 1.552 11.906 2.337 303 HB2 LYS 37 2HB LYS 37 3.166 11.123 0.734 304 HB3 LYS 37 1HB LYS 37 3.702 10.658 2.335 305 HG2 LYS 37 2HG LYS 37 3.399 8.430 1.934 306 HG3 LYS 37 1HG LYS 37 2.122 8.702 0.746 307 HD2 LYS 37 2HD LYS 37 4.074 7.898 -0.396 308 HD3 LYS 37 1HD LYS 37 3.841 9.596 -0.810 309 HE2 LYS 37 2HE LYS 37 6.209 8.941 -0.306 310 HE3 LYS 37 1HE LYS 37 5.583 10.280 0.656 311 HZ1 LYS 37 3HZ LYS 37 5.640 7.465 1.591 312 HZ2 LYS 37 1HZ LYS 37 5.278 8.841 2.507 313 HZ3 LYS 37 2HZ LYS 37 6.850 8.593 1.938 314 H THR 38 H THR 38 -0.917 10.733 2.533 315 HA THR 38 HA THR 38 -1.782 10.786 -0.186 316 HB THR 38 HB THR 38 -2.341 8.198 1.251 317 HG1 THR 38 1HG THR 38 -0.299 8.677 -0.654 318 HG21 THR 38 3HG2 THR 38 -2.792 7.349 -0.987 319 HG22 THR 38 1HG2 THR 38 -2.462 8.946 -1.659 320 HG23 THR 38 2HG2 THR 38 -3.841 8.712 -0.584 321 H VAL 39 H VAL 39 -3.575 11.958 -0.067 322 HA VAL 39 HA VAL 39 -5.389 11.520 2.217 323 HB VAL 39 HB VAL 39 -6.086 13.912 1.926 324 HG11 VAL 39 1HG1 VAL 39 -3.206 14.059 2.546 325 HG12 VAL 39 2HG1 VAL 39 -4.135 12.867 3.450 326 HG13 VAL 39 3HG1 VAL 39 -4.603 14.560 3.501 327 HG21 VAL 39 3HG2 VAL 39 -3.545 14.564 0.589 328 HG22 VAL 39 1HG2 VAL 39 -5.133 15.314 0.438 329 HG23 VAL 39 2HG2 VAL 39 -4.778 13.816 -0.427 330 H GLU 40 H GLU 40 -5.372 10.300 -0.493 331 HA GLU 40 HA GLU 40 -8.114 10.297 -0.998 332 HB2 GLU 40 2HB GLU 40 -6.836 12.580 -2.075 333 HB3 GLU 40 1HB GLU 40 -7.214 11.515 -3.431 334 HG2 GLU 40 2HG GLU 40 -9.129 12.621 -1.392 335 HG3 GLU 40 1HG GLU 40 -9.030 13.035 -3.105 336 H GLY 41 H GLY 41 -8.388 8.313 -1.777 337 HA2 GLY 41 2HA GLY 41 -7.231 7.393 -4.174 338 HA3 GLY 41 1HA GLY 41 -6.324 6.726 -2.817 339 H VAL 42 H VAL 42 -7.613 5.068 -4.572 340 HA VAL 42 HA VAL 42 -9.992 4.164 -3.096 341 HB VAL 42 HB VAL 42 -9.189 3.236 -5.853 342 HG11 VAL 42 1HG1 VAL 42 -11.177 2.137 -5.931 343 HG12 VAL 42 2HG1 VAL 42 -11.990 3.303 -4.887 344 HG13 VAL 42 3HG1 VAL 42 -10.916 2.092 -4.187 345 HG21 VAL 42 3HG2 VAL 42 -11.421 4.979 -5.990 346 HG22 VAL 42 1HG2 VAL 42 -9.833 5.171 -6.733 347 HG23 VAL 42 2HG2 VAL 42 -10.136 5.819 -5.123 348 H TRP 43 H TRP 43 -9.384 2.793 -1.603 349 HA TRP 43 HA TRP 43 -7.101 1.190 -1.625 350 HB2 TRP 43 2HB TRP 43 -9.550 1.547 0.002 351 HB3 TRP 43 1HB TRP 43 -8.692 0.042 0.220 352 HD1 TRP 43 HD TRP 43 -8.130 3.848 0.485 353 HE1 TRP 43 1HE TRP 43 -6.282 4.304 2.200 354 HE3 TRP 43 3HE TRP 43 -6.717 -0.987 1.486 355 HZ2 TRP 43 2HZ TRP 43 -4.473 2.855 3.769 356 HZ3 TRP 43 3HZ TRP 43 -4.856 -1.345 3.165 357 HH2 TRP 43 HH TRP 43 -3.796 0.551 4.247 358 H THR 44 H THR 44 -6.720 -0.732 -2.515 359 HA THR 44 HA THR 44 -8.856 -2.635 -2.954 360 HB THR 44 HB THR 44 -8.806 -1.188 -5.015 361 HG1 THR 44 1HG THR 44 -9.003 -2.939 -6.361 362 HG21 THR 44 3HG2 THR 44 -6.027 -2.259 -5.193 363 HG22 THR 44 1HG2 THR 44 -6.635 -0.640 -5.537 364 HG23 THR 44 2HG2 THR 44 -6.960 -1.960 -6.657 365 H TYR 45 H TYR 45 -7.931 -4.741 -3.854 366 HA TYR 45 HA TYR 45 -5.101 -5.071 -3.251 367 HB2 TYR 45 2HB TYR 45 -5.719 -5.675 -1.133 368 HB3 TYR 45 1HB TYR 45 -7.320 -6.227 -1.628 369 HD1 TYR 45 2HD TYR 45 -7.380 -8.464 -2.976 370 HD2 TYR 45 1HD TYR 45 -4.082 -7.207 -0.602 371 HE1 TYR 45 2HE TYR 45 -6.606 -10.793 -2.829 372 HE2 TYR 45 1HE TYR 45 -3.301 -9.532 -0.443 373 HH TYR 45 HH TYR 45 -4.472 -12.002 -2.418 374 H LYS 46 H LYS 46 -4.087 -6.637 -4.381 375 HA LYS 46 HA LYS 46 -5.708 -8.013 -6.405 376 HB2 LYS 46 2HB LYS 46 -2.707 -7.814 -6.473 377 HB3 LYS 46 1HB LYS 46 -3.831 -8.048 -7.810 378 HG2 LYS 46 2HG LYS 46 -4.639 -5.633 -6.954 379 HG3 LYS 46 1HG LYS 46 -2.936 -5.568 -6.496 380 HD2 LYS 46 2HD LYS 46 -3.990 -6.226 -9.239 381 HD3 LYS 46 1HD LYS 46 -3.320 -4.673 -8.753 382 HE2 LYS 46 2HE LYS 46 -1.250 -5.389 -9.120 383 HE3 LYS 46 1HE LYS 46 -1.498 -6.784 -8.072 384 HZ1 LYS 46 3HZ LYS 46 -1.649 -6.586 -10.961 385 HZ2 LYS 46 1HZ LYS 46 -2.815 -7.570 -10.232 386 HZ3 LYS 46 2HZ LYS 46 -1.170 -7.882 -9.987 387 H ASP 47 H ASP 47 -5.787 -10.171 -6.551 388 HA ASP 47 HA ASP 47 -4.614 -11.719 -4.387 389 HB2 ASP 47 2HB ASP 47 -6.425 -12.731 -6.575 390 HB3 ASP 47 1HB ASP 47 -6.125 -13.462 -5.003 391 H GLU 48 H GLU 48 -2.731 -12.671 -4.604 392 HA GLU 48 HA GLU 48 -1.925 -14.503 -6.443 393 HB2 GLU 48 2HB GLU 48 -0.231 -13.018 -7.786 394 HB3 GLU 48 1HB GLU 48 -1.891 -13.180 -8.338 395 HG2 GLU 48 2HG GLU 48 -2.151 -10.988 -8.265 396 HG3 GLU 48 1HG GLU 48 -1.749 -10.964 -6.552 397 H ILE 49 H ILE 49 -0.330 -11.509 -5.332 398 HA ILE 49 HA ILE 49 1.452 -13.182 -3.690 399 HB ILE 49 HB ILE 49 2.299 -10.608 -5.016 400 HG12 ILE 49 2HG1 ILE 49 3.478 -13.131 -5.969 401 HG13 ILE 49 1HG1 ILE 49 1.783 -12.910 -6.389 402 HG21 ILE 49 1HG2 ILE 49 3.393 -12.082 -2.918 403 HG22 ILE 49 2HG2 ILE 49 4.173 -10.791 -3.835 404 HG23 ILE 49 3HG2 ILE 49 4.386 -12.473 -4.323 405 HD11 ILE 49 3HD1 ILE 49 3.226 -12.098 -8.155 406 HD12 ILE 49 1HD1 ILE 49 4.029 -11.011 -7.020 407 HD13 ILE 49 2HD1 ILE 49 2.330 -10.761 -7.421 408 H LYS 50 H LYS 50 -1.070 -11.676 -3.126 409 HA LYS 50 HA LYS 50 -1.957 -10.370 -1.493 410 HB2 LYS 50 2HB LYS 50 0.683 -10.482 -0.060 411 HB3 LYS 50 1HB LYS 50 -0.935 -10.410 0.625 412 HG2 LYS 50 2HG LYS 50 -0.710 -12.775 -0.954 413 HG3 LYS 50 1HG LYS 50 0.666 -12.682 0.145 414 HD2 LYS 50 2HD LYS 50 -0.983 -13.820 1.361 415 HD3 LYS 50 1HD LYS 50 -1.053 -12.163 1.965 416 HE2 LYS 50 2HE LYS 50 -2.816 -12.073 -0.112 417 HE3 LYS 50 1HE LYS 50 -3.043 -13.720 0.476 418 HZ1 LYS 50 3HZ LYS 50 -4.544 -12.382 1.664 419 HZ2 LYS 50 1HZ LYS 50 -3.384 -11.190 1.978 420 HZ3 LYS 50 2HZ LYS 50 -3.281 -12.693 2.746 421 H THR 51 H THR 51 -2.126 -8.487 -2.775 422 HA THR 51 HA THR 51 -0.244 -6.400 -1.969 423 HB THR 51 HB THR 51 -0.308 -5.548 -4.380 424 HG1 THR 51 1HG THR 51 -0.647 -7.217 -5.919 425 HG21 THR 51 3HG2 THR 51 1.504 -7.155 -3.141 426 HG22 THR 51 1HG2 THR 51 1.710 -6.420 -4.731 427 HG23 THR 51 2HG2 THR 51 1.124 -8.079 -4.595 428 H PHE 52 H PHE 52 -1.018 -4.331 -1.948 429 HA PHE 52 HA PHE 52 -3.901 -4.001 -2.436 430 HB2 PHE 52 2HB PHE 52 -2.397 -2.527 -0.281 431 HB3 PHE 52 1HB PHE 52 -4.138 -2.691 -0.476 432 HD1 PHE 52 1HD PHE 52 -1.053 -4.512 0.425 433 HD2 PHE 52 2HD PHE 52 -5.307 -4.489 0.490 434 HE1 PHE 52 1HE PHE 52 -1.036 -6.435 1.960 435 HE2 PHE 52 2HE PHE 52 -5.300 -6.411 2.025 436 HZ PHE 52 HZ PHE 52 -3.161 -7.386 2.763 437 H THR 53 H THR 53 -4.555 -1.788 -2.992 438 HA THR 53 HA THR 53 -2.388 -0.019 -3.791 439 HB THR 53 HB THR 53 -4.453 -1.061 -5.748 440 HG1 THR 53 1HG THR 53 -1.844 -1.740 -5.202 441 HG21 THR 53 3HG2 THR 53 -2.155 0.711 -6.503 442 HG22 THR 53 1HG2 THR 53 -3.734 1.372 -6.073 443 HG23 THR 53 2HG2 THR 53 -3.582 0.271 -7.439 444 H VAL 54 H VAL 54 -3.036 2.131 -4.244 445 HA VAL 54 HA VAL 54 -5.799 2.829 -3.548 446 HB VAL 54 HB VAL 54 -3.971 3.076 -1.621 447 HG11 VAL 54 1HG1 VAL 54 -2.515 4.579 -2.974 448 HG12 VAL 54 2HG1 VAL 54 -3.038 5.275 -1.442 449 HG13 VAL 54 3HG1 VAL 54 -3.808 5.778 -2.946 450 HG21 VAL 54 3HG2 VAL 54 -5.404 5.259 -1.021 451 HG22 VAL 54 1HG2 VAL 54 -6.034 3.616 -0.903 452 HG23 VAL 54 2HG2 VAL 54 -6.394 4.598 -2.322 453 H THR 55 H THR 55 -6.506 3.683 -5.387 454 HA THR 55 HA THR 55 -4.753 5.547 -6.844 455 HB THR 55 HB THR 55 -7.154 4.013 -7.858 456 HG1 THR 55 1HG THR 55 -5.210 2.775 -7.376 457 HG21 THR 55 3HG2 THR 55 -5.133 5.674 -9.341 458 HG22 THR 55 1HG2 THR 55 -6.851 6.024 -9.146 459 HG23 THR 55 2HG2 THR 55 -6.338 4.625 -10.088 460 H GLU 56 H GLU 56 -5.276 7.629 -6.957 461 HA GLU 56 HA GLU 56 -7.698 8.561 -5.685 462 HB2 GLU 56 2HB GLU 56 -5.615 9.741 -5.266 463 HB3 GLU 56 1HB GLU 56 -5.417 10.050 -6.984 464 HG2 GLU 56 2HG GLU 56 -7.930 11.014 -5.798 465 HG3 GLU 56 1HG GLU 56 -6.461 11.811 -5.244 Start of MODEL 4 1 H1 THR 1 1HT THR 1 5.265 -14.856 4.407 2 H2 THR 1 2HT THR 1 5.156 -13.400 5.310 3 H3 THR 1 3HT THR 1 6.383 -13.588 4.126 4 HA THR 1 HA THR 1 4.531 -13.889 2.491 5 HB THR 1 HB THR 1 2.526 -12.439 3.442 6 HG1 THR 1 1HG THR 1 3.574 -12.168 5.493 7 HG21 THR 1 1HG2 THR 1 3.031 -15.337 3.597 8 HG22 THR 1 2HG2 THR 1 1.736 -14.447 2.799 9 HG23 THR 1 3HG2 THR 1 1.678 -14.716 4.542 10 H THR 2 H THR 2 4.961 -12.361 1.039 11 HA THR 2 HA THR 2 5.919 -9.756 1.993 12 HB THR 2 HB THR 2 7.068 -9.521 -0.079 13 HG1 THR 2 1HG THR 2 6.150 -10.278 -1.787 14 HG21 THR 2 3HG2 THR 2 7.631 -11.650 1.574 15 HG22 THR 2 1HG2 THR 2 8.673 -10.999 0.309 16 HG23 THR 2 2HG2 THR 2 7.612 -12.363 -0.039 17 H TYR 3 H TYR 3 4.481 -8.168 1.995 18 HA TYR 3 HA TYR 3 2.280 -8.237 0.054 19 HB2 TYR 3 2HB TYR 3 2.561 -6.664 2.625 20 HB3 TYR 3 1HB TYR 3 1.154 -6.634 1.558 21 HD1 TYR 3 2HD TYR 3 3.182 -8.860 3.736 22 HD2 TYR 3 1HD TYR 3 -0.540 -8.250 1.764 23 HE1 TYR 3 2HE TYR 3 2.233 -10.779 4.944 24 HE2 TYR 3 1HE TYR 3 -1.497 -10.170 2.967 25 HH TYR 3 HH TYR 3 0.088 -11.659 5.612 26 H LYS 4 H LYS 4 1.869 -6.539 -1.319 27 HA LYS 4 HA LYS 4 3.862 -4.363 -1.339 28 HB2 LYS 4 2HB LYS 4 2.996 -6.198 -3.489 29 HB3 LYS 4 1HB LYS 4 3.129 -4.503 -3.946 30 HG2 LYS 4 2HG LYS 4 5.461 -4.748 -2.705 31 HG3 LYS 4 1HG LYS 4 5.235 -6.435 -3.171 32 HD2 LYS 4 2HD LYS 4 4.750 -4.348 -5.229 33 HD3 LYS 4 1HD LYS 4 6.421 -4.679 -4.769 34 HE2 LYS 4 2HE LYS 4 4.401 -6.658 -5.816 35 HE3 LYS 4 1HE LYS 4 5.824 -6.049 -6.663 36 HZ1 LYS 4 3HZ LYS 4 7.013 -7.027 -4.549 37 HZ2 LYS 4 1HZ LYS 4 6.634 -8.006 -5.877 38 HZ3 LYS 4 2HZ LYS 4 5.643 -8.018 -4.506 39 H LEU 5 H LEU 5 3.191 -2.343 -2.088 40 HA LEU 5 HA LEU 5 0.286 -1.960 -2.241 41 HB2 LEU 5 2HB LEU 5 0.717 -1.276 -0.068 42 HB3 LEU 5 1HB LEU 5 2.292 -0.610 -0.490 43 HG LEU 5 HG LEU 5 1.272 1.324 -1.504 44 HD11 LEU 5 1HD1 LEU 5 -1.151 -0.353 -1.400 45 HD12 LEU 5 2HD1 LEU 5 -0.647 0.845 -2.591 46 HD13 LEU 5 3HD1 LEU 5 -1.380 1.365 -1.073 47 HD21 LEU 5 3HD2 LEU 5 0.508 0.539 1.237 48 HD22 LEU 5 1HD2 LEU 5 -0.338 1.928 0.552 49 HD23 LEU 5 2HD2 LEU 5 1.422 1.935 0.667 50 H ILE 6 H ILE 6 -0.329 -0.904 -4.005 51 HA ILE 6 HA ILE 6 1.684 0.612 -5.512 52 HB ILE 6 HB ILE 6 -0.974 -0.433 -6.468 53 HG12 ILE 6 2HG1 ILE 6 0.580 -2.249 -5.917 54 HG13 ILE 6 1HG1 ILE 6 0.315 -2.136 -7.656 55 HG21 ILE 6 1HG2 ILE 6 0.378 -0.044 -8.710 56 HG22 ILE 6 2HG2 ILE 6 1.173 1.179 -7.719 57 HG23 ILE 6 3HG2 ILE 6 -0.574 1.238 -7.959 58 HD11 ILE 6 3HD1 ILE 6 2.487 -1.965 -7.975 59 HD12 ILE 6 1HD1 ILE 6 2.751 -2.086 -6.237 60 HD13 ILE 6 2HD1 ILE 6 2.528 -0.506 -6.987 61 H LEU 7 H LEU 7 1.659 2.709 -5.039 62 HA LEU 7 HA LEU 7 -0.897 4.021 -4.457 63 HB2 LEU 7 2HB LEU 7 1.880 5.154 -4.138 64 HB3 LEU 7 1HB LEU 7 0.381 5.804 -3.484 65 HG LEU 7 HG LEU 7 1.163 3.061 -2.644 66 HD11 LEU 7 1HD1 LEU 7 2.534 4.103 -0.802 67 HD12 LEU 7 2HD1 LEU 7 2.571 5.573 -1.778 68 HD13 LEU 7 3HD1 LEU 7 3.280 4.083 -2.401 69 HD21 LEU 7 3HD2 LEU 7 0.376 4.280 -0.434 70 HD22 LEU 7 1HD2 LEU 7 -0.781 3.657 -1.610 71 HD23 LEU 7 2HD2 LEU 7 -0.378 5.374 -1.597 72 H ASN 8 H ASN 8 -1.844 5.300 -5.892 73 HA ASN 8 HA ASN 8 -0.214 6.447 -8.058 74 HB2 ASN 8 2HB ASN 8 -1.956 4.435 -8.514 75 HB3 ASN 8 1HB ASN 8 -3.047 5.814 -8.667 76 HD21 ASN 8 1HD2 ASN 8 -1.233 7.660 -9.732 77 HD22 ASN 8 2HD2 ASN 8 -0.822 7.158 -11.333 78 H LEU 9 H LEU 9 -0.109 8.521 -7.410 79 HA LEU 9 HA LEU 9 -2.640 9.876 -6.751 80 HB2 LEU 9 2HB LEU 9 -1.301 11.543 -5.560 81 HB3 LEU 9 1HB LEU 9 -1.051 9.919 -4.914 82 HG LEU 9 HG LEU 9 0.907 10.579 -6.963 83 HD11 LEU 9 1HD1 LEU 9 0.501 12.864 -6.104 84 HD12 LEU 9 2HD1 LEU 9 2.124 12.266 -5.750 85 HD13 LEU 9 3HD1 LEU 9 0.898 12.292 -4.482 86 HD21 LEU 9 3HD2 LEU 9 0.994 8.717 -5.307 87 HD22 LEU 9 1HD2 LEU 9 1.255 9.921 -4.044 88 HD23 LEU 9 2HD2 LEU 9 2.439 9.734 -5.340 89 H LYS 10 H LYS 10 -2.298 12.400 -7.183 90 HA LYS 10 HA LYS 10 -1.767 12.588 -10.043 91 HB2 LYS 10 2HB LYS 10 -3.899 13.444 -8.907 92 HB3 LYS 10 1HB LYS 10 -2.906 14.754 -8.289 93 HG2 LYS 10 2HG LYS 10 -2.522 14.435 -11.127 94 HG3 LYS 10 1HG LYS 10 -4.231 14.641 -10.740 95 HD2 LYS 10 2HD LYS 10 -2.230 16.447 -9.465 96 HD3 LYS 10 1HD LYS 10 -2.685 16.725 -11.148 97 HE2 LYS 10 2HE LYS 10 -4.756 17.434 -10.605 98 HE3 LYS 10 1HE LYS 10 -4.926 16.259 -9.293 99 HZ1 LYS 10 3HZ LYS 10 -3.592 17.649 -7.881 100 HZ2 LYS 10 1HZ LYS 10 -4.860 18.573 -8.516 101 HZ3 LYS 10 2HZ LYS 10 -3.298 18.738 -9.141 102 H GLN 11 H GLN 11 0.600 12.337 -9.372 103 HA GLN 11 HA GLN 11 1.924 14.771 -9.794 104 HB2 GLN 11 2HB GLN 11 1.128 14.804 -7.262 105 HB3 GLN 11 1HB GLN 11 2.581 13.825 -7.037 106 HG2 GLN 11 2HG GLN 11 3.257 16.068 -8.673 107 HG3 GLN 11 1HG GLN 11 2.349 16.660 -7.278 108 HE21 GLN 11 1HE2 GLN 11 5.290 15.300 -8.403 109 HE22 GLN 11 2HE2 GLN 11 6.135 15.312 -6.894 110 H ALA 12 H ALA 12 2.247 11.621 -8.194 111 HA ALA 12 HA ALA 12 4.198 10.736 -10.070 112 HB1 ALA 12 1HB ALA 12 5.317 10.953 -7.305 113 HB2 ALA 12 2HB ALA 12 5.437 12.310 -8.422 114 HB3 ALA 12 3HB ALA 12 6.158 10.752 -8.840 115 H LYS 13 H LYS 13 4.827 8.519 -9.729 116 HA LYS 13 HA LYS 13 2.807 7.045 -8.229 117 HB2 LYS 13 2HB LYS 13 3.600 6.603 -10.688 118 HB3 LYS 13 1HB LYS 13 4.913 5.735 -9.906 119 HG2 LYS 13 2HG LYS 13 2.968 4.572 -8.613 120 HG3 LYS 13 1HG LYS 13 2.007 5.110 -9.991 121 HD2 LYS 13 2HD LYS 13 3.398 3.908 -11.518 122 HD3 LYS 13 1HD LYS 13 4.573 3.548 -10.253 123 HE2 LYS 13 2HE LYS 13 3.402 1.563 -10.401 124 HE3 LYS 13 1HE LYS 13 2.567 2.384 -9.083 125 HZ1 LYS 13 3HZ LYS 13 1.594 2.733 -11.834 126 HZ2 LYS 13 1HZ LYS 13 0.737 2.794 -10.376 127 HZ3 LYS 13 2HZ LYS 13 1.226 1.304 -11.007 128 H GLU 14 H GLU 14 3.190 6.161 -6.315 129 HA GLU 14 HA GLU 14 5.994 5.793 -5.482 130 HB2 GLU 14 2HB GLU 14 3.784 7.136 -4.210 131 HB3 GLU 14 1HB GLU 14 4.349 5.810 -3.191 132 HG2 GLU 14 2HG GLU 14 6.090 7.000 -2.538 133 HG3 GLU 14 1HG GLU 14 6.600 7.244 -4.207 134 H GLU 15 H GLU 15 6.631 3.844 -4.715 135 HA GLU 15 HA GLU 15 4.594 1.717 -4.671 136 HB2 GLU 15 2HB GLU 15 7.524 1.659 -5.369 137 HB3 GLU 15 1HB GLU 15 6.616 0.193 -5.019 138 HG2 GLU 15 2HG GLU 15 5.221 0.491 -6.895 139 HG3 GLU 15 1HG GLU 15 5.771 2.149 -7.135 140 H ALA 16 H ALA 16 4.144 0.821 -2.790 141 HA ALA 16 HA ALA 16 6.069 1.126 -0.581 142 HB1 ALA 16 1HB ALA 16 3.832 0.481 0.720 143 HB2 ALA 16 2HB ALA 16 3.110 1.214 -0.711 144 HB3 ALA 16 3HB ALA 16 4.229 2.143 0.285 145 H ILE 17 H ILE 17 6.822 -0.655 0.457 146 HA ILE 17 HA ILE 17 5.536 -3.226 -0.003 147 HB ILE 17 HB ILE 17 7.440 -4.362 -0.841 148 HG12 ILE 17 2HG1 ILE 17 9.140 -1.896 -0.956 149 HG13 ILE 17 1HG1 ILE 17 9.046 -2.792 0.557 150 HG21 ILE 17 1HG2 ILE 17 6.075 -2.902 -2.407 151 HG22 ILE 17 2HG2 ILE 17 7.651 -3.435 -2.990 152 HG23 ILE 17 3HG2 ILE 17 7.443 -1.789 -2.394 153 HD11 ILE 17 3HD1 ILE 17 10.792 -3.892 -0.308 154 HD12 ILE 17 1HD1 ILE 17 10.364 -3.473 -1.969 155 HD13 ILE 17 2HD1 ILE 17 9.542 -4.802 -1.158 156 H LYS 18 H LYS 18 6.234 -4.908 1.409 157 HA LYS 18 HA LYS 18 8.090 -4.445 3.509 158 HB2 LYS 18 2HB LYS 18 6.561 -2.989 4.512 159 HB3 LYS 18 1HB LYS 18 5.171 -3.945 3.997 160 HG2 LYS 18 2HG LYS 18 5.483 -4.114 6.391 161 HG3 LYS 18 1HG LYS 18 5.774 -5.678 5.627 162 HD2 LYS 18 2HD LYS 18 8.003 -5.650 6.106 163 HD3 LYS 18 1HD LYS 18 8.111 -3.891 6.010 164 HE2 LYS 18 2HE LYS 18 7.235 -3.613 8.174 165 HE3 LYS 18 1HE LYS 18 6.642 -5.271 8.235 166 HZ1 LYS 18 3HZ LYS 18 8.630 -4.977 9.578 167 HZ2 LYS 18 1HZ LYS 18 9.497 -4.468 8.216 168 HZ3 LYS 18 2HZ LYS 18 8.912 -6.053 8.305 169 H GLU 19 H GLU 19 8.696 -6.353 4.376 170 HA GLU 19 HA GLU 19 7.080 -8.712 3.683 171 HB2 GLU 19 2HB GLU 19 10.001 -8.206 3.846 172 HB3 GLU 19 1HB GLU 19 9.436 -9.799 4.333 173 HG2 GLU 19 2HG GLU 19 9.611 -10.323 2.179 174 HG3 GLU 19 1HG GLU 19 8.109 -9.422 1.982 175 H ALA 20 H ALA 20 5.930 -9.489 5.314 176 HA ALA 20 HA ALA 20 7.177 -9.653 7.968 177 HB1 ALA 20 1HB ALA 20 5.827 -7.926 8.536 178 HB2 ALA 20 2HB ALA 20 4.640 -9.217 8.714 179 HB3 ALA 20 3HB ALA 20 4.678 -8.252 7.239 180 H VAL 21 H VAL 21 5.887 -11.137 9.435 181 HA VAL 21 HA VAL 21 5.259 -13.553 7.926 182 HB VAL 21 HB VAL 21 5.333 -13.403 10.924 183 HG11 VAL 21 1HG1 VAL 21 4.725 -15.530 10.491 184 HG12 VAL 21 2HG1 VAL 21 6.455 -15.750 10.220 185 HG13 VAL 21 3HG1 VAL 21 5.372 -15.495 8.850 186 HG21 VAL 21 3HG2 VAL 21 7.817 -14.260 10.356 187 HG22 VAL 21 1HG2 VAL 21 7.421 -12.576 10.706 188 HG23 VAL 21 2HG2 VAL 21 7.582 -13.115 9.035 189 H ASP 22 H ASP 22 3.380 -11.173 8.283 190 HA ASP 22 HA ASP 22 1.014 -12.748 8.698 191 HB2 ASP 22 2HB ASP 22 2.028 -11.612 10.975 192 HB3 ASP 22 1HB ASP 22 0.912 -10.365 10.425 193 H ALA 23 H ALA 23 -0.832 -10.693 9.033 194 HA ALA 23 HA ALA 23 -0.360 -9.044 6.635 195 HB1 ALA 23 1HB ALA 23 -2.827 -9.142 6.278 196 HB2 ALA 23 2HB ALA 23 -2.908 -10.356 7.555 197 HB3 ALA 23 3HB ALA 23 -1.996 -10.684 6.080 198 H GLY 24 H GLY 24 -1.971 -9.224 9.789 199 HA2 GLY 24 2HA GLY 24 -3.147 -6.739 9.935 200 HA3 GLY 24 1HA GLY 24 -2.425 -7.557 11.314 201 H THR 25 H THR 25 0.240 -7.547 10.123 202 HA THR 25 HA THR 25 1.049 -4.928 11.007 203 HB THR 25 HB THR 25 3.039 -6.712 9.738 204 HG1 THR 25 1HG THR 25 2.996 -8.119 11.550 205 HG21 THR 25 3HG2 THR 25 2.974 -4.728 11.803 206 HG22 THR 25 1HG2 THR 25 4.357 -5.448 10.979 207 HG23 THR 25 2HG2 THR 25 3.677 -6.229 12.408 208 H ALA 26 H ALA 26 0.599 -6.606 7.983 209 HA ALA 26 HA ALA 26 2.101 -4.806 6.364 210 HB1 ALA 26 1HB ALA 26 1.517 -6.142 4.636 211 HB2 ALA 26 2HB ALA 26 -0.173 -6.225 5.131 212 HB3 ALA 26 3HB ALA 26 1.030 -7.240 5.927 213 H GLU 27 H GLU 27 -1.264 -5.012 7.380 214 HA GLU 27 HA GLU 27 -2.202 -2.882 5.738 215 HB2 GLU 27 2HB GLU 27 -3.719 -4.577 6.648 216 HB3 GLU 27 1HB GLU 27 -3.355 -4.042 8.283 217 HG2 GLU 27 2HG GLU 27 -4.757 -2.301 8.163 218 HG3 GLU 27 1HG GLU 27 -4.314 -1.928 6.497 219 H LYS 28 H LYS 28 -1.714 -3.034 9.276 220 HA LYS 28 HA LYS 28 -2.021 -0.327 9.801 221 HB2 LYS 28 2HB LYS 28 -0.853 -2.636 11.186 222 HB3 LYS 28 1HB LYS 28 -0.154 -1.095 11.665 223 HG2 LYS 28 2HG LYS 28 -2.494 -0.272 12.058 224 HG3 LYS 28 1HG LYS 28 -3.036 -1.934 11.821 225 HD2 LYS 28 2HD LYS 28 -2.774 -1.992 14.077 226 HD3 LYS 28 1HD LYS 28 -1.115 -2.381 13.618 227 HE2 LYS 28 2HE LYS 28 -1.009 0.317 13.606 228 HE3 LYS 28 1HE LYS 28 -2.225 0.053 14.854 229 HZ1 LYS 28 3HZ LYS 28 -0.437 -1.690 15.653 230 HZ2 LYS 28 1HZ LYS 28 -0.359 -0.064 16.112 231 HZ3 LYS 28 2HZ LYS 28 0.614 -0.634 14.851 232 H TYR 29 H TYR 29 0.832 -2.080 8.702 233 HA TYR 29 HA TYR 29 2.641 0.102 9.054 234 HB2 TYR 29 2HB TYR 29 3.552 -2.128 8.978 235 HB3 TYR 29 1HB TYR 29 2.824 -2.425 7.396 236 HD1 TYR 29 2HD TYR 29 3.685 -1.085 5.415 237 HD2 TYR 29 1HD TYR 29 5.697 -1.202 9.161 238 HE1 TYR 29 2HE TYR 29 5.748 -0.312 4.324 239 HE2 TYR 29 1HE TYR 29 7.766 -0.428 8.081 240 HH TYR 29 HH TYR 29 8.062 1.070 5.531 241 H PHE 30 H PHE 30 1.042 -1.288 6.185 242 HA PHE 30 HA PHE 30 1.995 0.604 4.350 243 HB2 PHE 30 2HB PHE 30 -0.308 -1.303 4.395 244 HB3 PHE 30 1HB PHE 30 -0.277 -0.060 3.145 245 HD1 PHE 30 2HD PHE 30 2.731 0.028 2.754 246 HD2 PHE 30 1HD PHE 30 -0.005 -3.235 3.025 247 HE1 PHE 30 2HE PHE 30 4.245 -1.358 1.398 248 HE2 PHE 30 1HE PHE 30 1.512 -4.615 1.670 249 HZ PHE 30 HZ PHE 30 3.634 -3.678 0.855 250 H LYS 31 H LYS 31 -0.915 0.527 6.352 251 HA LYS 31 HA LYS 31 -2.164 2.821 5.376 252 HB2 LYS 31 2HB LYS 31 -2.844 0.999 7.203 253 HB3 LYS 31 1HB LYS 31 -2.298 2.263 8.296 254 HG2 LYS 31 2HG LYS 31 -3.865 3.828 7.133 255 HG3 LYS 31 1HG LYS 31 -4.499 2.434 6.255 256 HD2 LYS 31 2HD LYS 31 -4.543 1.600 8.883 257 HD3 LYS 31 1HD LYS 31 -4.991 3.304 8.993 258 HE2 LYS 31 2HE LYS 31 -6.281 1.470 7.000 259 HE3 LYS 31 1HE LYS 31 -6.860 1.570 8.661 260 HZ1 LYS 31 3HZ LYS 31 -7.497 3.769 8.391 261 HZ2 LYS 31 1HZ LYS 31 -7.933 3.069 6.913 262 HZ3 LYS 31 2HZ LYS 31 -6.528 4.002 7.025 263 H LEU 32 H LEU 32 0.516 2.465 7.622 264 HA LEU 32 HA LEU 32 0.470 5.138 8.588 265 HB2 LEU 32 2HB LEU 32 2.599 3.007 8.575 266 HB3 LEU 32 1HB LEU 32 2.828 4.587 9.310 267 HG LEU 32 HG LEU 32 1.664 2.245 10.439 268 HD11 LEU 32 1HD1 LEU 32 3.165 3.627 11.644 269 HD12 LEU 32 2HD1 LEU 32 1.603 3.727 12.460 270 HD13 LEU 32 3HD1 LEU 32 2.139 5.045 11.417 271 HD21 LEU 32 3HD2 LEU 32 -0.498 2.984 9.616 272 HD22 LEU 32 1HD2 LEU 32 -0.238 4.584 10.311 273 HD23 LEU 32 2HD2 LEU 32 -0.410 3.182 11.365 274 H ILE 33 H ILE 33 2.154 3.510 5.934 275 HA ILE 33 HA ILE 33 3.673 5.871 5.262 276 HB ILE 33 HB ILE 33 4.600 3.618 4.871 277 HG12 ILE 33 2HG1 ILE 33 5.005 4.095 2.264 278 HG13 ILE 33 1HG1 ILE 33 4.301 5.644 2.717 279 HG21 ILE 33 1HG2 ILE 33 3.771 2.325 2.915 280 HG22 ILE 33 2HG2 ILE 33 2.384 3.411 2.846 281 HG23 ILE 33 3HG2 ILE 33 2.640 2.397 4.265 282 HD11 ILE 33 3HD1 ILE 33 6.235 4.996 4.667 283 HD12 ILE 33 1HD1 ILE 33 6.271 6.291 3.472 284 HD13 ILE 33 2HD1 ILE 33 6.956 4.714 3.082 285 H ALA 34 H ALA 34 0.768 4.245 4.152 286 HA ALA 34 HA ALA 34 0.408 5.682 1.753 287 HB1 ALA 34 1HB ALA 34 -0.857 3.720 1.979 288 HB2 ALA 34 2HB ALA 34 -2.037 5.027 2.098 289 HB3 ALA 34 3HB ALA 34 -1.483 4.203 3.557 290 H ASN 35 H ASN 35 -1.362 6.076 4.826 291 HA ASN 35 HA ASN 35 -2.554 8.514 4.174 292 HB2 ASN 35 2HB ASN 35 -2.117 6.952 6.642 293 HB3 ASN 35 1HB ASN 35 -2.383 8.676 6.883 294 HD21 ASN 35 1HD2 ASN 35 -3.747 6.723 4.289 295 HD22 ASN 35 2HD2 ASN 35 -5.390 6.871 4.800 296 H ALA 36 H ALA 36 0.578 7.829 5.663 297 HA ALA 36 HA ALA 36 1.153 10.536 6.336 298 HB1 ALA 36 1HB ALA 36 3.449 9.722 6.702 299 HB2 ALA 36 2HB ALA 36 2.987 8.166 6.013 300 HB3 ALA 36 3HB ALA 36 2.239 8.725 7.509 301 H LYS 37 H LYS 37 1.376 8.707 3.417 302 HA LYS 37 HA LYS 37 3.162 10.690 2.207 303 HB2 LYS 37 2HB LYS 37 2.231 7.972 1.290 304 HB3 LYS 37 1HB LYS 37 3.139 9.069 0.258 305 HG2 LYS 37 2HG LYS 37 4.129 8.116 2.932 306 HG3 LYS 37 1HG LYS 37 4.488 7.299 1.411 307 HD2 LYS 37 2HD LYS 37 5.063 10.220 1.813 308 HD3 LYS 37 1HD LYS 37 6.211 8.974 2.305 309 HE2 LYS 37 2HE LYS 37 5.201 9.593 -0.461 310 HE3 LYS 37 1HE LYS 37 6.860 9.655 0.135 311 HZ1 LYS 37 3HZ LYS 37 6.293 7.110 0.596 312 HZ2 LYS 37 1HZ LYS 37 6.949 7.652 -0.865 313 HZ3 LYS 37 2HZ LYS 37 5.287 7.370 -0.739 314 H THR 38 H THR 38 -0.120 9.529 2.141 315 HA THR 38 HA THR 38 -0.862 11.779 0.453 316 HB THR 38 HB THR 38 -2.442 9.995 -0.745 317 HG1 THR 38 1HG THR 38 -1.438 8.270 0.487 318 HG21 THR 38 3HG2 THR 38 -1.164 11.268 -2.171 319 HG22 THR 38 1HG2 THR 38 -0.552 9.647 -2.462 320 HG23 THR 38 2HG2 THR 38 0.358 10.762 -1.442 321 H VAL 39 H VAL 39 -3.419 11.624 0.148 322 HA VAL 39 HA VAL 39 -4.726 10.579 2.529 323 HB VAL 39 HB VAL 39 -4.962 13.510 1.868 324 HG11 VAL 39 1HG1 VAL 39 -5.811 13.338 4.370 325 HG12 VAL 39 2HG1 VAL 39 -6.179 11.689 3.867 326 HG13 VAL 39 3HG1 VAL 39 -6.884 13.053 3.000 327 HG21 VAL 39 3HG2 VAL 39 -3.355 12.208 4.061 328 HG22 VAL 39 1HG2 VAL 39 -3.618 13.933 3.870 329 HG23 VAL 39 2HG2 VAL 39 -2.701 13.042 2.657 330 H GLU 40 H GLU 40 -4.945 9.873 -0.204 331 HA GLU 40 HA GLU 40 -7.735 9.857 -0.524 332 HB2 GLU 40 2HB GLU 40 -6.891 12.281 -1.220 333 HB3 GLU 40 1HB GLU 40 -6.565 11.453 -2.742 334 HG2 GLU 40 2HG GLU 40 -8.728 11.333 -3.275 335 HG3 GLU 40 1HG GLU 40 -9.208 10.899 -1.640 336 H GLY 41 H GLY 41 -8.300 8.220 -1.850 337 HA2 GLY 41 2HA GLY 41 -7.218 7.419 -4.232 338 HA3 GLY 41 1HA GLY 41 -6.190 6.650 -3.025 339 H VAL 42 H VAL 42 -7.512 5.055 -4.737 340 HA VAL 42 HA VAL 42 -9.861 4.071 -3.275 341 HB VAL 42 HB VAL 42 -10.313 2.681 -5.280 342 HG11 VAL 42 1HG1 VAL 42 -11.278 4.966 -4.924 343 HG12 VAL 42 2HG1 VAL 42 -11.223 4.434 -6.604 344 HG13 VAL 42 3HG1 VAL 42 -10.032 5.589 -6.005 345 HG21 VAL 42 3HG2 VAL 42 -9.118 3.303 -7.394 346 HG22 VAL 42 1HG2 VAL 42 -8.140 2.415 -6.228 347 HG23 VAL 42 2HG2 VAL 42 -7.938 4.157 -6.402 348 H TRP 43 H TRP 43 -9.345 2.676 -1.786 349 HA TRP 43 HA TRP 43 -7.000 1.118 -1.753 350 HB2 TRP 43 2HB TRP 43 -9.416 1.550 -0.105 351 HB3 TRP 43 1HB TRP 43 -8.599 0.024 0.133 352 HD1 TRP 43 HD TRP 43 -7.989 3.818 0.416 353 HE1 TRP 43 1HE TRP 43 -6.078 4.236 2.070 354 HE3 TRP 43 3HE TRP 43 -6.548 -1.038 1.262 355 HZ2 TRP 43 2HZ TRP 43 -4.213 2.756 3.536 356 HZ3 TRP 43 3HZ TRP 43 -4.625 -1.432 2.864 357 HH2 TRP 43 HH TRP 43 -3.521 0.440 3.943 358 H THR 44 H THR 44 -6.630 -0.825 -2.604 359 HA THR 44 HA THR 44 -8.808 -2.709 -3.028 360 HB THR 44 HB THR 44 -7.945 -3.153 -5.379 361 HG1 THR 44 1HG THR 44 -6.720 -0.644 -4.902 362 HG21 THR 44 3HG2 THR 44 -9.032 -1.064 -6.364 363 HG22 THR 44 1HG2 THR 44 -9.371 -0.616 -4.693 364 HG23 THR 44 2HG2 THR 44 -10.023 -2.116 -5.353 365 H TYR 45 H TYR 45 -8.106 -4.878 -3.107 366 HA TYR 45 HA TYR 45 -5.231 -5.356 -2.910 367 HB2 TYR 45 2HB TYR 45 -5.611 -5.207 -0.615 368 HB3 TYR 45 1HB TYR 45 -7.214 -5.932 -0.724 369 HD1 TYR 45 1HD TYR 45 -3.594 -6.618 -0.682 370 HD2 TYR 45 2HD TYR 45 -7.495 -8.314 -0.655 371 HE1 TYR 45 1HE TYR 45 -2.638 -8.794 -0.050 372 HE2 TYR 45 2HE TYR 45 -6.551 -10.494 -0.023 373 HH TYR 45 HH TYR 45 -3.402 -10.879 1.093 374 H LYS 46 H LYS 46 -4.560 -7.260 -3.702 375 HA LYS 46 HA LYS 46 -6.621 -9.157 -4.615 376 HB2 LYS 46 2HB LYS 46 -5.264 -7.706 -6.350 377 HB3 LYS 46 1HB LYS 46 -4.002 -8.901 -6.043 378 HG2 LYS 46 2HG LYS 46 -6.063 -10.547 -6.487 379 HG3 LYS 46 1HG LYS 46 -6.575 -9.171 -7.466 380 HD2 LYS 46 2HD LYS 46 -3.763 -10.112 -7.697 381 HD3 LYS 46 1HD LYS 46 -5.037 -11.074 -8.457 382 HE2 LYS 46 2HE LYS 46 -5.699 -8.538 -9.228 383 HE3 LYS 46 1HE LYS 46 -3.937 -8.467 -9.213 384 HZ1 LYS 46 3HZ LYS 46 -5.383 -10.665 -10.557 385 HZ2 LYS 46 1HZ LYS 46 -3.785 -10.159 -10.791 386 HZ3 LYS 46 2HZ LYS 46 -5.065 -9.205 -11.350 387 H ASP 47 H ASP 47 -6.432 -11.141 -3.806 388 HA ASP 47 HA ASP 47 -4.283 -11.816 -2.059 389 HB2 ASP 47 2HB ASP 47 -6.869 -12.634 -2.286 390 HB3 ASP 47 1HB ASP 47 -6.019 -14.010 -2.994 391 H GLU 48 H GLU 48 -4.923 -12.357 -5.412 392 HA GLU 48 HA GLU 48 -3.447 -14.659 -5.917 393 HB2 GLU 48 2HB GLU 48 -4.745 -13.562 -7.704 394 HB3 GLU 48 1HB GLU 48 -3.600 -12.222 -7.725 395 HG2 GLU 48 2HG GLU 48 -3.146 -13.685 -9.561 396 HG3 GLU 48 1HG GLU 48 -1.827 -13.786 -8.391 397 H ILE 49 H ILE 49 -2.300 -11.396 -5.335 398 HA ILE 49 HA ILE 49 0.446 -12.459 -5.313 399 HB ILE 49 HB ILE 49 -0.267 -9.665 -6.189 400 HG12 ILE 49 2HG1 ILE 49 0.643 -11.896 -7.988 401 HG13 ILE 49 1HG1 ILE 49 -1.062 -11.560 -7.718 402 HG21 ILE 49 1HG2 ILE 49 1.904 -9.425 -5.625 403 HG22 ILE 49 2HG2 ILE 49 2.174 -10.167 -7.195 404 HG23 ILE 49 3HG2 ILE 49 2.236 -11.153 -5.737 405 HD11 ILE 49 3HD1 ILE 49 0.562 -9.237 -8.477 406 HD12 ILE 49 1HD1 ILE 49 -1.038 -9.742 -9.027 407 HD13 ILE 49 2HD1 ILE 49 0.404 -10.493 -9.711 408 H LYS 50 H LYS 50 -1.941 -11.243 -3.424 409 HA LYS 50 HA LYS 50 -2.045 -10.239 -1.386 410 HB2 LYS 50 2HB LYS 50 0.412 -11.814 -1.436 411 HB3 LYS 50 1HB LYS 50 0.489 -10.487 -0.285 412 HG2 LYS 50 2HG LYS 50 -0.869 -11.515 1.140 413 HG3 LYS 50 1HG LYS 50 -2.028 -11.912 -0.130 414 HD2 LYS 50 2HD LYS 50 0.439 -13.475 -0.266 415 HD3 LYS 50 1HD LYS 50 -0.467 -13.713 1.229 416 HE2 LYS 50 2HE LYS 50 -2.411 -13.763 -0.738 417 HE3 LYS 50 1HE LYS 50 -1.052 -14.613 -1.471 418 HZ1 LYS 50 3HZ LYS 50 -1.032 -15.785 0.864 419 HZ2 LYS 50 1HZ LYS 50 -2.049 -16.320 -0.378 420 HZ3 LYS 50 2HZ LYS 50 -2.664 -15.342 0.857 421 H THR 51 H THR 51 -2.137 -8.220 -2.774 422 HA THR 51 HA THR 51 -0.253 -6.313 -1.682 423 HB THR 51 HB THR 51 0.591 -5.461 -3.700 424 HG1 THR 51 1HG THR 51 -1.336 -7.036 -5.057 425 HG21 THR 51 3HG2 THR 51 1.617 -7.633 -3.185 426 HG22 THR 51 1HG2 THR 51 1.590 -7.283 -4.914 427 HG23 THR 51 2HG2 THR 51 0.428 -8.418 -4.226 428 H PHE 52 H PHE 52 -1.039 -4.269 -1.517 429 HA PHE 52 HA PHE 52 -3.850 -3.921 -2.283 430 HB2 PHE 52 2HB PHE 52 -2.451 -2.149 -0.307 431 HB3 PHE 52 1HB PHE 52 -4.162 -2.542 -0.425 432 HD1 PHE 52 2HD PHE 52 -0.863 -4.051 0.392 433 HD2 PHE 52 1HD PHE 52 -5.080 -4.160 0.953 434 HE1 PHE 52 2HE PHE 52 -0.584 -5.772 2.128 435 HE2 PHE 52 1HE PHE 52 -4.808 -5.881 2.691 436 HZ PHE 52 HZ PHE 52 -2.558 -6.689 3.278 437 H THR 53 H THR 53 -4.508 -1.666 -2.854 438 HA THR 53 HA THR 53 -2.369 -0.022 -3.935 439 HB THR 53 HB THR 53 -4.595 -1.163 -5.641 440 HG1 THR 53 1HG THR 53 -2.823 -2.532 -5.430 441 HG21 THR 53 3HG2 THR 53 -3.931 0.124 -7.467 442 HG22 THR 53 1HG2 THR 53 -2.451 0.667 -6.675 443 HG23 THR 53 2HG2 THR 53 -4.020 1.275 -6.135 444 H VAL 54 H VAL 54 -2.938 2.136 -4.283 445 HA VAL 54 HA VAL 54 -5.661 2.928 -3.536 446 HB VAL 54 HB VAL 54 -3.791 3.079 -1.635 447 HG11 VAL 54 1HG1 VAL 54 -2.337 4.583 -3.013 448 HG12 VAL 54 2HG1 VAL 54 -2.775 5.224 -1.431 449 HG13 VAL 54 3HG1 VAL 54 -3.592 5.816 -2.877 450 HG21 VAL 54 3HG2 VAL 54 -6.110 4.838 -2.265 451 HG22 VAL 54 1HG2 VAL 54 -5.132 5.167 -0.834 452 HG23 VAL 54 2HG2 VAL 54 -5.932 3.606 -1.017 453 H THR 55 H THR 55 -6.311 3.726 -5.434 454 HA THR 55 HA THR 55 -4.531 5.555 -6.887 455 HB THR 55 HB THR 55 -7.086 4.699 -8.115 456 HG1 THR 55 1HG THR 55 -4.925 2.893 -7.794 457 HG21 THR 55 3HG2 THR 55 -4.993 5.958 -9.136 458 HG22 THR 55 1HG2 THR 55 -5.983 4.848 -10.083 459 HG23 THR 55 2HG2 THR 55 -4.454 4.300 -9.399 460 H GLU 56 H GLU 56 -4.897 7.669 -6.882 461 HA GLU 56 HA GLU 56 -7.409 8.660 -5.755 462 HB2 GLU 56 2HB GLU 56 -5.381 9.523 -4.737 463 HB3 GLU 56 1HB GLU 56 -4.784 10.048 -6.302 464 HG2 GLU 56 2HG GLU 56 -7.395 11.107 -5.366 465 HG3 GLU 56 1HG GLU 56 -5.921 11.712 -4.613 Start of MODEL 5 1 H1 THR 1 1HT THR 1 3.259 -13.335 3.015 2 H2 THR 1 2HT THR 1 3.467 -12.367 4.417 3 H3 THR 1 3HT THR 1 3.419 -14.077 4.552 4 HA THR 1 HA THR 1 5.627 -13.538 4.732 5 HB THR 1 HB THR 1 6.564 -14.644 2.825 6 HG1 THR 1 1HG THR 1 4.180 -14.083 1.407 7 HG21 THR 1 1HG2 THR 1 3.949 -15.891 2.488 8 HG22 THR 1 2HG2 THR 1 4.467 -15.735 4.167 9 HG23 THR 1 3HG2 THR 1 5.487 -16.585 3.004 10 H THR 2 H THR 2 4.533 -12.131 1.635 11 HA THR 2 HA THR 2 6.078 -9.720 2.248 12 HB THR 2 HB THR 2 6.223 -11.036 -0.463 13 HG1 THR 2 1HG THR 2 8.288 -11.737 0.172 14 HG21 THR 2 3HG2 THR 2 7.307 -8.583 0.696 15 HG22 THR 2 1HG2 THR 2 7.040 -9.029 -0.989 16 HG23 THR 2 2HG2 THR 2 8.489 -9.582 -0.151 17 H TYR 3 H TYR 3 4.662 -8.114 2.188 18 HA TYR 3 HA TYR 3 2.438 -8.248 0.271 19 HB2 TYR 3 2HB TYR 3 2.726 -6.479 2.711 20 HB3 TYR 3 1HB TYR 3 1.291 -6.643 1.697 21 HD1 TYR 3 1HD TYR 3 3.515 -8.517 4.009 22 HD2 TYR 3 2HD TYR 3 -0.300 -8.315 2.139 23 HE1 TYR 3 1HE TYR 3 2.721 -10.347 5.446 24 HE2 TYR 3 2HE TYR 3 -1.106 -10.140 3.573 25 HH TYR 3 HH TYR 3 0.676 -12.211 5.088 26 H LYS 4 H LYS 4 1.918 -6.467 -1.027 27 HA LYS 4 HA LYS 4 3.971 -4.365 -1.211 28 HB2 LYS 4 2HB LYS 4 2.765 -5.969 -3.468 29 HB3 LYS 4 1HB LYS 4 3.643 -4.463 -3.719 30 HG2 LYS 4 2HG LYS 4 5.623 -5.458 -3.509 31 HG3 LYS 4 1HG LYS 4 5.113 -6.376 -2.090 32 HD2 LYS 4 2HD LYS 4 3.712 -7.626 -4.049 33 HD3 LYS 4 1HD LYS 4 5.164 -7.144 -4.929 34 HE2 LYS 4 2HE LYS 4 5.458 -8.421 -2.254 35 HE3 LYS 4 1HE LYS 4 5.048 -9.435 -3.637 36 HZ1 LYS 4 3HZ LYS 4 7.541 -8.840 -2.953 37 HZ2 LYS 4 1HZ LYS 4 7.241 -7.566 -4.026 38 HZ3 LYS 4 2HZ LYS 4 7.076 -9.167 -4.547 39 H LEU 5 H LEU 5 3.281 -2.355 -1.944 40 HA LEU 5 HA LEU 5 0.381 -2.001 -2.186 41 HB2 LEU 5 2HB LEU 5 0.656 -1.342 0.007 42 HB3 LEU 5 1HB LEU 5 2.279 -0.719 -0.279 43 HG LEU 5 HG LEU 5 1.407 1.279 -1.291 44 HD11 LEU 5 1HD1 LEU 5 -0.973 -0.349 -1.632 45 HD12 LEU 5 2HD1 LEU 5 -0.451 1.090 -2.505 46 HD13 LEU 5 3HD1 LEU 5 -1.335 1.253 -0.988 47 HD21 LEU 5 3HD2 LEU 5 0.466 0.425 1.353 48 HD22 LEU 5 1HD2 LEU 5 -0.399 1.801 0.667 49 HD23 LEU 5 2HD2 LEU 5 1.353 1.872 0.873 50 H ILE 6 H ILE 6 -0.222 -0.762 -3.846 51 HA ILE 6 HA ILE 6 1.862 0.724 -5.283 52 HB ILE 6 HB ILE 6 -0.809 -0.278 -6.267 53 HG12 ILE 6 2HG1 ILE 6 0.695 -1.679 -7.758 54 HG13 ILE 6 1HG1 ILE 6 2.031 -1.191 -6.720 55 HG21 ILE 6 1HG2 ILE 6 -0.017 0.445 -8.495 56 HG22 ILE 6 2HG2 ILE 6 1.371 1.210 -7.723 57 HG23 ILE 6 3HG2 ILE 6 -0.258 1.791 -7.382 58 HD11 ILE 6 3HD1 ILE 6 -0.403 -2.457 -5.546 59 HD12 ILE 6 1HD1 ILE 6 1.245 -2.406 -4.922 60 HD13 ILE 6 2HD1 ILE 6 0.855 -3.442 -6.294 61 H LEU 7 H LEU 7 1.910 2.812 -4.802 62 HA LEU 7 HA LEU 7 -0.550 4.182 -4.016 63 HB2 LEU 7 2HB LEU 7 2.321 5.119 -3.954 64 HB3 LEU 7 1HB LEU 7 0.942 6.008 -3.322 65 HG LEU 7 HG LEU 7 1.544 3.269 -2.273 66 HD11 LEU 7 1HD1 LEU 7 2.788 4.658 -0.432 67 HD12 LEU 7 2HD1 LEU 7 3.076 5.772 -1.769 68 HD13 LEU 7 3HD1 LEU 7 3.641 4.105 -1.873 69 HD21 LEU 7 3HD2 LEU 7 0.145 5.733 -1.288 70 HD22 LEU 7 1HD2 LEU 7 0.645 4.447 -0.188 71 HD23 LEU 7 2HD2 LEU 7 -0.495 4.102 -1.488 72 H ASN 8 H ASN 8 -1.610 5.515 -5.329 73 HA ASN 8 HA ASN 8 -0.203 6.571 -7.690 74 HB2 ASN 8 2HB ASN 8 -1.904 4.643 -8.066 75 HB3 ASN 8 1HB ASN 8 -3.125 5.888 -7.771 76 HD21 ASN 8 1HD2 ASN 8 -3.418 4.924 -10.197 77 HD22 ASN 8 2HD2 ASN 8 -2.691 5.921 -11.402 78 H LEU 9 H LEU 9 0.085 8.637 -7.084 79 HA LEU 9 HA LEU 9 -2.284 10.148 -6.194 80 HB2 LEU 9 2HB LEU 9 -0.768 11.707 -5.109 81 HB3 LEU 9 1HB LEU 9 -0.516 10.073 -4.510 82 HG LEU 9 HG LEU 9 1.272 10.530 -6.698 83 HD11 LEU 9 1HD1 LEU 9 0.729 12.945 -5.648 84 HD12 LEU 9 2HD1 LEU 9 2.305 12.489 -6.296 85 HD13 LEU 9 3HD1 LEU 9 2.011 12.414 -4.558 86 HD21 LEU 9 3HD2 LEU 9 1.424 8.957 -4.708 87 HD22 LEU 9 1HD2 LEU 9 1.968 10.355 -3.782 88 HD23 LEU 9 2HD2 LEU 9 2.902 9.802 -5.171 89 H LYS 10 H LYS 10 -1.807 12.637 -6.682 90 HA LYS 10 HA LYS 10 -1.687 12.802 -9.568 91 HB2 LYS 10 2HB LYS 10 -2.281 14.809 -7.401 92 HB3 LYS 10 1HB LYS 10 -2.165 15.262 -9.096 93 HG2 LYS 10 2HG LYS 10 -4.006 13.079 -8.222 94 HG3 LYS 10 1HG LYS 10 -4.481 14.770 -8.096 95 HD2 LYS 10 2HD LYS 10 -3.501 14.653 -10.642 96 HD3 LYS 10 1HD LYS 10 -4.221 13.053 -10.459 97 HE2 LYS 10 2HE LYS 10 -6.258 14.344 -9.518 98 HE3 LYS 10 1HE LYS 10 -5.525 15.743 -10.304 99 HZ1 LYS 10 3HZ LYS 10 -5.998 13.231 -11.785 100 HZ2 LYS 10 1HZ LYS 10 -5.780 14.795 -12.395 101 HZ3 LYS 10 2HZ LYS 10 -7.223 14.382 -11.611 102 H GLN 11 H GLN 11 0.733 12.000 -8.942 103 HA GLN 11 HA GLN 11 2.492 13.794 -10.056 104 HB2 GLN 11 2HB GLN 11 2.014 14.325 -7.230 105 HB3 GLN 11 1HB GLN 11 3.721 13.998 -7.559 106 HG2 GLN 11 2HG GLN 11 2.732 15.775 -9.576 107 HG3 GLN 11 1HG GLN 11 2.245 16.393 -7.993 108 HE21 GLN 11 1HE2 GLN 11 4.765 16.058 -10.226 109 HE22 GLN 11 2HE2 GLN 11 6.041 16.692 -9.253 110 H ALA 12 H ALA 12 3.044 11.783 -10.986 111 HA ALA 12 HA ALA 12 4.369 9.957 -11.277 112 HB1 ALA 12 1HB ALA 12 6.348 10.773 -10.580 113 HB2 ALA 12 2HB ALA 12 6.088 9.696 -9.204 114 HB3 ALA 12 3HB ALA 12 5.678 11.408 -9.078 115 H LYS 13 H LYS 13 5.035 7.830 -10.158 116 HA LYS 13 HA LYS 13 2.891 7.048 -8.290 117 HB2 LYS 13 2HB LYS 13 2.571 6.050 -10.493 118 HB3 LYS 13 1HB LYS 13 4.210 5.412 -10.464 119 HG2 LYS 13 2HG LYS 13 3.636 3.970 -8.601 120 HG3 LYS 13 1HG LYS 13 2.006 4.643 -8.562 121 HD2 LYS 13 2HD LYS 13 1.343 3.170 -10.089 122 HD3 LYS 13 1HD LYS 13 2.556 3.775 -11.218 123 HE2 LYS 13 2HE LYS 13 4.089 2.263 -9.572 124 HE3 LYS 13 1HE LYS 13 2.570 1.369 -9.525 125 HZ1 LYS 13 3HZ LYS 13 3.724 0.467 -11.305 126 HZ2 LYS 13 1HZ LYS 13 4.281 1.965 -11.859 127 HZ3 LYS 13 2HZ LYS 13 2.654 1.545 -12.050 128 H GLU 14 H GLU 14 3.427 5.969 -6.473 129 HA GLU 14 HA GLU 14 6.267 5.265 -6.110 130 HB2 GLU 14 2HB GLU 14 4.506 6.962 -4.527 131 HB3 GLU 14 1HB GLU 14 5.224 5.673 -3.559 132 HG2 GLU 14 2HG GLU 14 7.213 6.875 -5.247 133 HG3 GLU 14 1HG GLU 14 6.377 8.104 -4.303 134 H GLU 15 H GLU 15 6.733 3.284 -5.289 135 HA GLU 15 HA GLU 15 4.438 1.538 -4.690 136 HB2 GLU 15 2HB GLU 15 7.125 0.946 -5.918 137 HB3 GLU 15 1HB GLU 15 6.085 -0.324 -5.284 138 HG2 GLU 15 2HG GLU 15 4.411 0.111 -6.886 139 HG3 GLU 15 1HG GLU 15 5.156 1.638 -7.358 140 H ALA 16 H ALA 16 4.269 0.705 -2.723 141 HA ALA 16 HA ALA 16 6.589 0.901 -0.918 142 HB1 ALA 16 1HB ALA 16 4.832 0.748 0.902 143 HB2 ALA 16 2HB ALA 16 3.633 0.992 -0.369 144 HB3 ALA 16 3HB ALA 16 4.845 2.233 -0.049 145 H ILE 17 H ILE 17 7.406 -0.913 -0.034 146 HA ILE 17 HA ILE 17 5.813 -3.368 -0.104 147 HB ILE 17 HB ILE 17 7.614 -4.682 -1.040 148 HG12 ILE 17 2HG1 ILE 17 9.485 -3.284 -0.168 149 HG13 ILE 17 1HG1 ILE 17 9.673 -3.708 -1.865 150 HG21 ILE 17 1HG2 ILE 17 6.015 -3.735 -2.596 151 HG22 ILE 17 2HG2 ILE 17 7.613 -3.802 -3.334 152 HG23 ILE 17 3HG2 ILE 17 6.983 -2.267 -2.735 153 HD11 ILE 17 3HD1 ILE 17 10.074 -1.553 -2.202 154 HD12 ILE 17 1HD1 ILE 17 9.467 -1.108 -0.608 155 HD13 ILE 17 2HD1 ILE 17 8.347 -1.299 -1.957 156 H LYS 18 H LYS 18 6.470 -4.990 1.345 157 HA LYS 18 HA LYS 18 8.683 -4.683 3.101 158 HB2 LYS 18 2HB LYS 18 7.549 -2.965 4.201 159 HB3 LYS 18 1HB LYS 18 5.975 -3.727 3.970 160 HG2 LYS 18 2HG LYS 18 6.140 -4.907 5.873 161 HG3 LYS 18 1HG LYS 18 7.849 -5.271 5.622 162 HD2 LYS 18 2HD LYS 18 8.549 -3.411 6.740 163 HD3 LYS 18 1HD LYS 18 7.128 -2.470 6.286 164 HE2 LYS 18 2HE LYS 18 7.046 -2.888 8.648 165 HE3 LYS 18 1HE LYS 18 5.787 -3.840 7.863 166 HZ1 LYS 18 3HZ LYS 18 8.343 -5.170 8.199 167 HZ2 LYS 18 1HZ LYS 18 6.775 -5.765 8.418 168 HZ3 LYS 18 2HZ LYS 18 7.505 -4.839 9.630 169 H GLU 19 H GLU 19 9.031 -6.520 4.331 170 HA GLU 19 HA GLU 19 7.289 -8.780 3.687 171 HB2 GLU 19 2HB GLU 19 10.135 -8.534 4.610 172 HB3 GLU 19 1HB GLU 19 9.267 -10.056 4.787 173 HG2 GLU 19 2HG GLU 19 8.746 -9.774 2.272 174 HG3 GLU 19 1HG GLU 19 10.074 -8.625 2.293 175 H ALA 20 H ALA 20 5.878 -9.516 5.119 176 HA ALA 20 HA ALA 20 6.486 -9.315 7.979 177 HB1 ALA 20 1HB ALA 20 4.993 -7.396 7.114 178 HB2 ALA 20 2HB ALA 20 4.496 -8.267 8.565 179 HB3 ALA 20 3HB ALA 20 3.735 -8.627 7.017 180 H VAL 21 H VAL 21 5.663 -10.958 9.228 181 HA VAL 21 HA VAL 21 5.150 -13.421 8.006 182 HB VAL 21 HB VAL 21 4.478 -14.214 10.256 183 HG11 VAL 21 1HG1 VAL 21 6.879 -13.930 9.474 184 HG12 VAL 21 2HG1 VAL 21 6.622 -14.050 11.215 185 HG13 VAL 21 3HG1 VAL 21 6.921 -12.478 10.474 186 HG21 VAL 21 3HG2 VAL 21 4.741 -12.568 12.146 187 HG22 VAL 21 1HG2 VAL 21 3.307 -12.349 11.145 188 HG23 VAL 21 2HG2 VAL 21 4.700 -11.288 10.934 189 H ASP 22 H ASP 22 2.909 -11.128 9.548 190 HA ASP 22 HA ASP 22 0.681 -12.629 8.344 191 HB2 ASP 22 2HB ASP 22 -0.748 -11.722 10.096 192 HB3 ASP 22 1HB ASP 22 0.642 -12.522 10.817 193 H ALA 23 H ALA 23 -1.312 -10.723 8.537 194 HA ALA 23 HA ALA 23 -0.414 -8.783 6.528 195 HB1 ALA 23 1HB ALA 23 -2.264 -10.294 5.915 196 HB2 ALA 23 2HB ALA 23 -2.725 -8.591 5.867 197 HB3 ALA 23 3HB ALA 23 -3.230 -9.604 7.219 198 H GLY 24 H GLY 24 -1.999 -9.041 9.658 199 HA2 GLY 24 2HA GLY 24 -3.014 -6.516 10.028 200 HA3 GLY 24 1HA GLY 24 -2.273 -7.459 11.313 201 H THR 25 H THR 25 0.344 -7.504 10.065 202 HA THR 25 HA THR 25 1.287 -4.953 11.025 203 HB THR 25 HB THR 25 2.978 -7.074 9.716 204 HG1 THR 25 1HG THR 25 3.156 -7.991 11.814 205 HG21 THR 25 3HG2 THR 25 3.481 -4.914 11.719 206 HG22 THR 25 1HG2 THR 25 4.340 -5.271 10.222 207 HG23 THR 25 2HG2 THR 25 4.527 -6.330 11.619 208 H ALA 26 H ALA 26 0.709 -6.509 7.965 209 HA ALA 26 HA ALA 26 2.257 -4.653 6.415 210 HB1 ALA 26 1HB ALA 26 1.213 -7.131 5.925 211 HB2 ALA 26 2HB ALA 26 1.861 -6.042 4.700 212 HB3 ALA 26 3HB ALA 26 0.126 -6.086 5.013 213 H GLU 27 H GLU 27 -1.154 -5.066 7.240 214 HA GLU 27 HA GLU 27 -2.134 -2.956 5.624 215 HB2 GLU 27 2HB GLU 27 -3.577 -4.738 6.517 216 HB3 GLU 27 1HB GLU 27 -3.302 -4.145 8.149 217 HG2 GLU 27 2HG GLU 27 -4.483 -2.133 7.707 218 HG3 GLU 27 1HG GLU 27 -4.552 -2.484 5.980 219 H LYS 28 H LYS 28 -1.673 -3.102 9.163 220 HA LYS 28 HA LYS 28 -2.133 -0.414 9.695 221 HB2 LYS 28 2HB LYS 28 -0.904 -2.676 11.092 222 HB3 LYS 28 1HB LYS 28 -0.246 -1.118 11.578 223 HG2 LYS 28 2HG LYS 28 -2.193 -0.434 12.531 224 HG3 LYS 28 1HG LYS 28 -3.196 -1.375 11.425 225 HD2 LYS 28 2HD LYS 28 -2.303 -3.438 12.604 226 HD3 LYS 28 1HD LYS 28 -1.662 -2.339 13.827 227 HE2 LYS 28 2HE LYS 28 -4.062 -1.412 13.938 228 HE3 LYS 28 1HE LYS 28 -4.519 -2.897 13.105 229 HZ1 LYS 28 3HZ LYS 28 -4.691 -3.658 15.199 230 HZ2 LYS 28 1HZ LYS 28 -3.635 -2.504 15.843 231 HZ3 LYS 28 2HZ LYS 28 -3.019 -3.877 15.068 232 H TYR 29 H TYR 29 0.832 -2.026 8.665 233 HA TYR 29 HA TYR 29 2.503 0.264 9.029 234 HB2 TYR 29 2HB TYR 29 3.543 -1.908 9.045 235 HB3 TYR 29 1HB TYR 29 2.886 -2.292 7.452 236 HD1 TYR 29 2HD TYR 29 3.733 -0.965 5.458 237 HD2 TYR 29 1HD TYR 29 5.624 -0.847 9.267 238 HE1 TYR 29 2HE TYR 29 5.782 -0.100 4.407 239 HE2 TYR 29 1HE TYR 29 7.678 0.018 8.227 240 HH TYR 29 HH TYR 29 8.320 1.252 6.167 241 H PHE 30 H PHE 30 1.015 -1.261 6.173 242 HA PHE 30 HA PHE 30 1.954 0.600 4.295 243 HB2 PHE 30 2HB PHE 30 -0.266 -1.396 4.358 244 HB3 PHE 30 1HB PHE 30 -0.296 -0.174 3.088 245 HD1 PHE 30 2HD PHE 30 2.806 -0.033 2.848 246 HD2 PHE 30 1HD PHE 30 0.020 -3.265 2.859 247 HE1 PHE 30 2HE PHE 30 4.366 -1.386 1.513 248 HE2 PHE 30 1HE PHE 30 1.582 -4.611 1.524 249 HZ PHE 30 HZ PHE 30 3.755 -3.675 0.849 250 H LYS 31 H LYS 31 -1.020 0.484 6.210 251 HA LYS 31 HA LYS 31 -2.282 2.723 5.127 252 HB2 LYS 31 2HB LYS 31 -3.157 0.984 6.827 253 HB3 LYS 31 1HB LYS 31 -2.449 2.032 8.048 254 HG2 LYS 31 2HG LYS 31 -4.090 3.505 6.167 255 HG3 LYS 31 1HG LYS 31 -4.987 2.224 6.983 256 HD2 LYS 31 2HD LYS 31 -3.278 4.240 8.430 257 HD3 LYS 31 1HD LYS 31 -5.006 4.457 8.141 258 HE2 LYS 31 2HE LYS 31 -5.532 2.513 9.432 259 HE3 LYS 31 1HE LYS 31 -3.829 2.076 9.562 260 HZ1 LYS 31 3HZ LYS 31 -5.261 4.295 10.885 261 HZ2 LYS 31 1HZ LYS 31 -3.576 4.310 10.728 262 HZ3 LYS 31 2HZ LYS 31 -4.335 3.068 11.589 263 H LEU 32 H LEU 32 0.248 2.481 7.572 264 HA LEU 32 HA LEU 32 0.122 5.158 8.462 265 HB2 LEU 32 2HB LEU 32 2.322 3.099 8.514 266 HB3 LEU 32 1HB LEU 32 2.496 4.698 9.224 267 HG LEU 32 HG LEU 32 1.405 2.347 10.387 268 HD11 LEU 32 1HD1 LEU 32 1.232 3.870 12.370 269 HD12 LEU 32 2HD1 LEU 32 1.723 5.189 11.308 270 HD13 LEU 32 3HD1 LEU 32 2.812 3.829 11.587 271 HD21 LEU 32 3HD2 LEU 32 -0.605 4.590 10.178 272 HD22 LEU 32 1HD2 LEU 32 -0.734 3.190 11.242 273 HD23 LEU 32 2HD2 LEU 32 -0.771 2.974 9.493 274 H ILE 33 H ILE 33 1.950 3.574 5.871 275 HA ILE 33 HA ILE 33 3.398 5.968 5.207 276 HB ILE 33 HB ILE 33 4.397 3.772 4.790 277 HG12 ILE 33 2HG1 ILE 33 5.220 4.191 2.536 278 HG13 ILE 33 1HG1 ILE 33 3.852 5.248 2.207 279 HG21 ILE 33 1HG2 ILE 33 2.533 2.420 4.268 280 HG22 ILE 33 2HG2 ILE 33 3.555 2.443 2.832 281 HG23 ILE 33 3HG2 ILE 33 2.094 3.427 2.891 282 HD11 ILE 33 3HD1 ILE 33 5.951 6.453 2.688 283 HD12 ILE 33 1HD1 ILE 33 5.937 5.766 4.312 284 HD13 ILE 33 2HD1 ILE 33 4.644 6.852 3.803 285 H ALA 34 H ALA 34 0.551 4.277 4.012 286 HA ALA 34 HA ALA 34 0.180 5.805 1.666 287 HB1 ALA 34 1HB ALA 34 -1.147 3.984 1.515 288 HB2 ALA 34 2HB ALA 34 -2.337 5.048 2.267 289 HB3 ALA 34 3HB ALA 34 -1.423 3.908 3.256 290 H ASN 35 H ASN 35 -1.671 5.956 4.714 291 HA ASN 35 HA ASN 35 -3.001 8.332 4.192 292 HB2 ASN 35 2HB ASN 35 -2.341 6.779 6.628 293 HB3 ASN 35 1HB ASN 35 -2.807 8.457 6.883 294 HD21 ASN 35 1HD2 ASN 35 -4.694 8.773 4.858 295 HD22 ASN 35 2HD2 ASN 35 -6.047 7.757 5.194 296 H ALA 36 H ALA 36 0.277 7.814 5.264 297 HA ALA 36 HA ALA 36 0.631 10.632 5.915 298 HB1 ALA 36 1HB ALA 36 2.722 10.045 6.823 299 HB2 ALA 36 2HB ALA 36 2.765 8.516 5.944 300 HB3 ALA 36 3HB ALA 36 1.626 8.738 7.274 301 H LYS 37 H LYS 37 0.589 8.918 3.108 302 HA LYS 37 HA LYS 37 2.821 10.404 1.913 303 HB2 LYS 37 2HB LYS 37 1.495 7.829 1.307 304 HB3 LYS 37 1HB LYS 37 2.009 8.777 -0.082 305 HG2 LYS 37 2HG LYS 37 4.109 8.717 1.858 306 HG3 LYS 37 1HG LYS 37 3.559 7.074 1.526 307 HD2 LYS 37 2HD LYS 37 5.264 7.509 -0.049 308 HD3 LYS 37 1HD LYS 37 3.746 7.659 -0.935 309 HE2 LYS 37 2HE LYS 37 5.479 9.449 -1.367 310 HE3 LYS 37 1HE LYS 37 3.864 10.015 -0.937 311 HZ1 LYS 37 3HZ LYS 37 6.031 10.952 0.212 312 HZ2 LYS 37 1HZ LYS 37 5.777 9.636 1.237 313 HZ3 LYS 37 2HZ LYS 37 4.569 10.801 1.052 314 H THR 38 H THR 38 -0.658 9.849 1.608 315 HA THR 38 HA THR 38 -0.818 12.296 0.004 316 HB THR 38 HB THR 38 -2.609 11.098 -1.395 317 HG1 THR 38 1HG THR 38 -2.753 9.227 -0.123 318 HG21 THR 38 3HG2 THR 38 -0.956 11.357 -2.851 319 HG22 THR 38 1HG2 THR 38 -0.548 9.684 -2.508 320 HG23 THR 38 2HG2 THR 38 0.281 10.981 -1.653 321 H VAL 39 H VAL 39 -2.579 9.826 1.833 322 HA VAL 39 HA VAL 39 -4.215 10.065 3.421 323 HB VAL 39 HB VAL 39 -4.438 12.997 2.784 324 HG11 VAL 39 1HG1 VAL 39 -5.702 13.165 4.635 325 HG12 VAL 39 2HG1 VAL 39 -4.737 11.988 5.526 326 HG13 VAL 39 3HG1 VAL 39 -5.959 11.439 4.380 327 HG21 VAL 39 3HG2 VAL 39 -2.791 12.305 5.097 328 HG22 VAL 39 1HG2 VAL 39 -2.541 13.526 3.853 329 HG23 VAL 39 2HG2 VAL 39 -2.070 11.857 3.552 330 H GLU 40 H GLU 40 -4.624 9.534 0.588 331 HA GLU 40 HA GLU 40 -7.430 9.516 0.522 332 HB2 GLU 40 2HB GLU 40 -6.416 11.998 -0.198 333 HB3 GLU 40 1HB GLU 40 -6.733 11.210 -1.743 334 HG2 GLU 40 2HG GLU 40 -8.830 11.891 -1.510 335 HG3 GLU 40 1HG GLU 40 -8.994 10.664 -0.265 336 H GLY 41 H GLY 41 -8.237 8.255 -1.158 337 HA2 GLY 41 2HA GLY 41 -7.248 7.620 -3.595 338 HA3 GLY 41 1HA GLY 41 -6.224 6.669 -2.521 339 H VAL 42 H VAL 42 -7.491 5.178 -4.202 340 HA VAL 42 HA VAL 42 -9.946 4.226 -2.889 341 HB VAL 42 HB VAL 42 -9.018 3.407 -5.638 342 HG11 VAL 42 1HG1 VAL 42 -10.923 2.326 -4.063 343 HG12 VAL 42 2HG1 VAL 42 -10.978 2.311 -5.827 344 HG13 VAL 42 3HG1 VAL 42 -11.871 3.537 -4.926 345 HG21 VAL 42 3HG2 VAL 42 -11.094 5.152 -6.058 346 HG22 VAL 42 1HG2 VAL 42 -9.385 5.514 -6.301 347 HG23 VAL 42 2HG2 VAL 42 -10.171 5.949 -4.784 348 H TRP 43 H TRP 43 -9.440 2.763 -1.445 349 HA TRP 43 HA TRP 43 -7.171 1.138 -1.426 350 HB2 TRP 43 2HB TRP 43 -9.714 1.422 0.071 351 HB3 TRP 43 1HB TRP 43 -8.864 -0.093 0.261 352 HD1 TRP 43 HD TRP 43 -8.388 3.689 0.829 353 HE1 TRP 43 1HE TRP 43 -6.632 4.042 2.661 354 HE3 TRP 43 3HE TRP 43 -6.887 -1.177 1.492 355 HZ2 TRP 43 2HZ TRP 43 -4.854 2.515 4.184 356 HZ3 TRP 43 3HZ TRP 43 -5.087 -1.628 3.220 357 HH2 TRP 43 HH TRP 43 -4.132 0.196 4.500 358 H THR 44 H THR 44 -6.761 -0.770 -2.347 359 HA THR 44 HA THR 44 -8.901 -2.590 -3.066 360 HB THR 44 HB THR 44 -7.597 -2.763 -5.401 361 HG1 THR 44 1HG THR 44 -6.274 -0.911 -4.708 362 HG21 THR 44 3HG2 THR 44 -9.966 -2.447 -5.325 363 HG22 THR 44 1HG2 THR 44 -9.268 -1.250 -6.414 364 HG23 THR 44 2HG2 THR 44 -9.770 -0.778 -4.792 365 H TYR 45 H TYR 45 -8.119 -4.740 -3.544 366 HA TYR 45 HA TYR 45 -5.274 -5.190 -3.093 367 HB2 TYR 45 2HB TYR 45 -5.642 -5.646 -0.913 368 HB3 TYR 45 1HB TYR 45 -7.379 -5.846 -1.139 369 HD1 TYR 45 1HD TYR 45 -8.262 -8.058 -1.900 370 HD2 TYR 45 2HD TYR 45 -4.188 -7.513 -0.803 371 HE1 TYR 45 1HE TYR 45 -8.011 -10.492 -1.653 372 HE2 TYR 45 2HE TYR 45 -3.924 -9.946 -0.554 373 HH TYR 45 HH TYR 45 -5.436 -11.923 -0.085 374 H LYS 46 H LYS 46 -4.471 -7.114 -3.901 375 HA LYS 46 HA LYS 46 -6.357 -8.654 -5.559 376 HB2 LYS 46 2HB LYS 46 -4.604 -7.120 -6.711 377 HB3 LYS 46 1HB LYS 46 -3.446 -8.365 -6.241 378 HG2 LYS 46 2HG LYS 46 -4.171 -9.808 -7.789 379 HG3 LYS 46 1HG LYS 46 -5.863 -9.355 -7.580 380 HD2 LYS 46 2HD LYS 46 -5.250 -8.687 -9.771 381 HD3 LYS 46 1HD LYS 46 -5.321 -7.218 -8.804 382 HE2 LYS 46 2HE LYS 46 -2.793 -7.614 -8.447 383 HE3 LYS 46 1HE LYS 46 -2.923 -8.685 -9.839 384 HZ1 LYS 46 3HZ LYS 46 -3.762 -5.838 -9.841 385 HZ2 LYS 46 1HZ LYS 46 -3.696 -6.876 -11.172 386 HZ3 LYS 46 2HZ LYS 46 -2.267 -6.391 -10.414 387 H ASP 47 H ASP 47 -6.296 -10.822 -5.445 388 HA ASP 47 HA ASP 47 -4.705 -12.003 -3.325 389 HB2 ASP 47 2HB ASP 47 -7.274 -12.420 -4.137 390 HB3 ASP 47 1HB ASP 47 -6.446 -13.759 -4.932 391 H GLU 48 H GLU 48 -2.879 -13.023 -3.639 392 HA GLU 48 HA GLU 48 -2.192 -14.967 -5.388 393 HB2 GLU 48 2HB GLU 48 -2.153 -14.027 -7.426 394 HB3 GLU 48 1HB GLU 48 -2.277 -12.403 -6.777 395 HG2 GLU 48 2HG GLU 48 0.097 -12.261 -6.518 396 HG3 GLU 48 1HG GLU 48 0.292 -13.967 -6.933 397 H ILE 49 H ILE 49 -0.642 -11.835 -4.620 398 HA ILE 49 HA ILE 49 1.329 -13.309 -3.010 399 HB ILE 49 HB ILE 49 1.983 -10.903 -4.719 400 HG12 ILE 49 2HG1 ILE 49 3.350 -13.385 -5.381 401 HG13 ILE 49 1HG1 ILE 49 1.607 -13.518 -5.584 402 HG21 ILE 49 1HG2 ILE 49 4.353 -11.961 -4.151 403 HG22 ILE 49 2HG2 ILE 49 3.472 -12.517 -2.728 404 HG23 ILE 49 3HG2 ILE 49 3.566 -10.792 -3.091 405 HD11 ILE 49 3HD1 ILE 49 2.339 -12.811 -7.658 406 HD12 ILE 49 1HD1 ILE 49 3.536 -11.713 -6.974 407 HD13 ILE 49 2HD1 ILE 49 1.821 -11.312 -6.899 408 H LYS 50 H LYS 50 -1.194 -11.744 -2.472 409 HA LYS 50 HA LYS 50 -1.997 -10.291 -0.922 410 HB2 LYS 50 2HB LYS 50 0.728 -10.288 0.354 411 HB3 LYS 50 1HB LYS 50 -0.838 -10.095 1.126 412 HG2 LYS 50 2HG LYS 50 -0.546 -12.646 -0.257 413 HG3 LYS 50 1HG LYS 50 0.633 -12.401 1.033 414 HD2 LYS 50 2HD LYS 50 -1.275 -13.470 1.990 415 HD3 LYS 50 1HD LYS 50 -1.272 -11.794 2.539 416 HE2 LYS 50 2HE LYS 50 -3.358 -11.617 1.791 417 HE3 LYS 50 1HE LYS 50 -2.729 -11.793 0.154 418 HZ1 LYS 50 3HZ LYS 50 -4.125 -13.541 0.148 419 HZ2 LYS 50 1HZ LYS 50 -4.108 -13.726 1.830 420 HZ3 LYS 50 2HZ LYS 50 -2.833 -14.334 0.899 421 H THR 51 H THR 51 -2.173 -8.604 -2.507 422 HA THR 51 HA THR 51 -0.262 -6.432 -1.998 423 HB THR 51 HB THR 51 0.437 -7.293 -4.104 424 HG1 THR 51 1HG THR 51 0.050 -5.518 -5.420 425 HG21 THR 51 3HG2 THR 51 -1.137 -7.376 -6.048 426 HG22 THR 51 1HG2 THR 51 -2.460 -7.249 -4.888 427 HG23 THR 51 2HG2 THR 51 -1.368 -8.632 -4.831 428 H PHE 52 H PHE 52 -1.053 -4.379 -1.993 429 HA PHE 52 HA PHE 52 -3.939 -4.037 -2.425 430 HB2 PHE 52 2HB PHE 52 -2.551 -2.525 -0.241 431 HB3 PHE 52 1HB PHE 52 -4.260 -2.908 -0.415 432 HD1 PHE 52 2HD PHE 52 -0.963 -4.521 0.194 433 HD2 PHE 52 1HD PHE 52 -5.173 -4.648 0.800 434 HE1 PHE 52 2HE PHE 52 -0.682 -6.428 1.719 435 HE2 PHE 52 1HE PHE 52 -4.898 -6.556 2.329 436 HZ PHE 52 HZ PHE 52 -2.651 -7.449 2.789 437 H THR 53 H THR 53 -4.573 -1.786 -2.866 438 HA THR 53 HA THR 53 -2.399 -0.008 -3.620 439 HB THR 53 HB THR 53 -4.476 -1.009 -5.584 440 HG1 THR 53 1HG THR 53 -2.801 -1.950 -6.592 441 HG21 THR 53 3HG2 THR 53 -3.875 1.476 -5.798 442 HG22 THR 53 1HG2 THR 53 -3.723 0.450 -7.222 443 HG23 THR 53 2HG2 THR 53 -2.285 0.905 -6.311 444 H VAL 54 H VAL 54 -2.994 2.162 -3.849 445 HA VAL 54 HA VAL 54 -5.768 2.860 -3.209 446 HB VAL 54 HB VAL 54 -4.020 2.896 -1.190 447 HG11 VAL 54 1HG1 VAL 54 -3.052 5.037 -0.775 448 HG12 VAL 54 2HG1 VAL 54 -3.784 5.715 -2.230 449 HG13 VAL 54 3HG1 VAL 54 -2.507 4.506 -2.365 450 HG21 VAL 54 3HG2 VAL 54 -6.252 4.805 -1.791 451 HG22 VAL 54 1HG2 VAL 54 -5.429 4.791 -0.231 452 HG23 VAL 54 2HG2 VAL 54 -6.277 3.351 -0.794 453 H THR 55 H THR 55 -6.345 3.831 -5.041 454 HA THR 55 HA THR 55 -4.483 5.712 -6.304 455 HB THR 55 HB THR 55 -7.043 4.539 -7.402 456 HG1 THR 55 1HG THR 55 -5.863 2.849 -7.705 457 HG21 THR 55 3HG2 THR 55 -5.314 5.215 -9.475 458 HG22 THR 55 1HG2 THR 55 -5.307 6.603 -8.388 459 HG23 THR 55 2HG2 THR 55 -6.832 6.003 -9.042 460 H GLU 56 H GLU 56 -4.775 7.830 -6.173 461 HA GLU 56 HA GLU 56 -7.331 8.831 -5.126 462 HB2 GLU 56 2HB GLU 56 -5.396 9.420 -3.776 463 HB3 GLU 56 1HB GLU 56 -4.589 10.101 -5.181 464 HG2 GLU 56 2HG GLU 56 -6.522 11.728 -5.325 465 HG3 GLU 56 1HG GLU 56 -6.994 11.148 -3.724 Start of MODEL 6 1 H1 THR 1 1HT THR 1 5.281 -12.583 5.239 2 H2 THR 1 2HT THR 1 4.126 -13.798 4.873 3 H3 THR 1 3HT THR 1 3.669 -12.143 4.859 4 HA THR 1 HA THR 1 5.615 -13.414 3.054 5 HB THR 1 HB THR 1 3.707 -12.788 1.405 6 HG1 THR 1 1HG THR 1 2.213 -13.014 3.801 7 HG21 THR 1 1HG2 THR 1 4.118 -15.071 1.629 8 HG22 THR 1 2HG2 THR 1 2.404 -14.890 2.014 9 HG23 THR 1 3HG2 THR 1 3.584 -15.093 3.310 10 H THR 2 H THR 2 5.515 -11.881 0.971 11 HA THR 2 HA THR 2 6.334 -9.250 1.953 12 HB THR 2 HB THR 2 7.510 -8.999 -0.149 13 HG1 THR 2 1HG THR 2 6.052 -10.028 -1.526 14 HG21 THR 2 3HG2 THR 2 8.982 -11.005 -0.159 15 HG22 THR 2 1HG2 THR 2 7.914 -11.726 1.046 16 HG23 THR 2 2HG2 THR 2 8.790 -10.242 1.421 17 H TYR 3 H TYR 3 4.297 -8.291 2.214 18 HA TYR 3 HA TYR 3 2.379 -8.218 0.097 19 HB2 TYR 3 2HB TYR 3 2.641 -6.688 2.686 20 HB3 TYR 3 1HB TYR 3 1.314 -6.424 1.553 21 HD1 TYR 3 1HD TYR 3 2.928 -8.997 3.690 22 HD2 TYR 3 2HD TYR 3 -0.562 -7.846 1.544 23 HE1 TYR 3 1HE TYR 3 1.691 -10.858 4.717 24 HE2 TYR 3 2HE TYR 3 -1.810 -9.701 2.566 25 HH TYR 3 HH TYR 3 -1.417 -11.824 3.623 26 H LYS 4 H LYS 4 1.822 -6.490 -1.239 27 HA LYS 4 HA LYS 4 3.807 -4.317 -1.409 28 HB2 LYS 4 2HB LYS 4 2.612 -5.959 -3.638 29 HB3 LYS 4 1HB LYS 4 3.392 -4.406 -3.921 30 HG2 LYS 4 2HG LYS 4 5.340 -5.577 -2.548 31 HG3 LYS 4 1HG LYS 4 4.569 -7.025 -3.198 32 HD2 LYS 4 2HD LYS 4 4.653 -5.440 -5.401 33 HD3 LYS 4 1HD LYS 4 6.117 -4.928 -4.559 34 HE2 LYS 4 2HE LYS 4 6.931 -6.676 -5.801 35 HE3 LYS 4 1HE LYS 4 6.501 -7.509 -4.307 36 HZ1 LYS 4 3HZ LYS 4 4.839 -8.622 -5.305 37 HZ2 LYS 4 1HZ LYS 4 5.718 -8.311 -6.718 38 HZ3 LYS 4 2HZ LYS 4 4.403 -7.332 -6.307 39 H LEU 5 H LEU 5 3.070 -2.313 -2.134 40 HA LEU 5 HA LEU 5 0.161 -2.011 -2.316 41 HB2 LEU 5 2HB LEU 5 0.438 -1.337 -0.135 42 HB3 LEU 5 1HB LEU 5 2.060 -0.716 -0.426 43 HG LEU 5 HG LEU 5 1.175 1.279 -1.458 44 HD11 LEU 5 1HD1 LEU 5 -1.649 0.561 -0.905 45 HD12 LEU 5 2HD1 LEU 5 -0.888 -0.148 -2.329 46 HD13 LEU 5 3HD1 LEU 5 -0.966 1.604 -2.152 47 HD21 LEU 5 3HD2 LEU 5 1.216 1.839 0.729 48 HD22 LEU 5 1HD2 LEU 5 0.238 0.454 1.215 49 HD23 LEU 5 2HD2 LEU 5 -0.535 1.882 0.524 50 H ILE 6 H ILE 6 -0.383 -1.016 -4.135 51 HA ILE 6 HA ILE 6 1.614 0.600 -5.531 52 HB ILE 6 HB ILE 6 -1.024 -0.502 -6.499 53 HG12 ILE 6 2HG1 ILE 6 0.527 -1.866 -7.979 54 HG13 ILE 6 1HG1 ILE 6 1.846 -1.321 -6.947 55 HG21 ILE 6 1HG2 ILE 6 0.916 1.385 -7.709 56 HG22 ILE 6 2HG2 ILE 6 -0.835 1.288 -7.890 57 HG23 ILE 6 3HG2 ILE 6 0.205 0.161 -8.759 58 HD11 ILE 6 3HD1 ILE 6 1.103 -2.541 -5.136 59 HD12 ILE 6 1HD1 ILE 6 0.748 -3.606 -6.497 60 HD13 ILE 6 2HD1 ILE 6 -0.543 -2.659 -5.758 61 H LEU 7 H LEU 7 1.600 2.666 -4.931 62 HA LEU 7 HA LEU 7 -0.958 3.984 -4.375 63 HB2 LEU 7 2HB LEU 7 1.857 4.938 -3.841 64 HB3 LEU 7 1HB LEU 7 0.378 5.744 -3.331 65 HG LEU 7 HG LEU 7 0.753 2.943 -2.424 66 HD11 LEU 7 1HD1 LEU 7 2.438 3.299 -0.945 67 HD12 LEU 7 2HD1 LEU 7 2.098 5.024 -0.800 68 HD13 LEU 7 3HD1 LEU 7 2.956 4.411 -2.212 69 HD21 LEU 7 3HD2 LEU 7 -0.433 5.484 -1.376 70 HD22 LEU 7 1HD2 LEU 7 -0.093 4.132 -0.296 71 HD23 LEU 7 2HD2 LEU 7 -1.205 3.923 -1.649 72 H ASN 8 H ASN 8 -1.781 5.493 -5.685 73 HA ASN 8 HA ASN 8 -0.051 6.590 -7.801 74 HB2 ASN 8 2HB ASN 8 -1.997 4.804 -8.345 75 HB3 ASN 8 1HB ASN 8 -2.943 6.292 -8.396 76 HD21 ASN 8 1HD2 ASN 8 -0.965 8.003 -9.386 77 HD22 ASN 8 2HD2 ASN 8 -0.628 7.556 -11.019 78 H LEU 9 H LEU 9 0.289 8.587 -7.025 79 HA LEU 9 HA LEU 9 -2.076 10.198 -6.317 80 HB2 LEU 9 2HB LEU 9 -0.175 11.678 -5.235 81 HB3 LEU 9 1HB LEU 9 -0.893 10.317 -4.376 82 HG LEU 9 HG LEU 9 1.506 9.679 -5.992 83 HD11 LEU 9 1HD1 LEU 9 3.087 10.686 -4.622 84 HD12 LEU 9 2HD1 LEU 9 1.910 11.052 -3.362 85 HD13 LEU 9 3HD1 LEU 9 1.894 11.962 -4.872 86 HD21 LEU 9 3HD2 LEU 9 0.339 8.034 -4.596 87 HD22 LEU 9 1HD2 LEU 9 0.657 9.026 -3.172 88 HD23 LEU 9 2HD2 LEU 9 1.997 8.297 -4.055 89 H LYS 10 H LYS 10 -1.757 12.588 -6.728 90 HA LYS 10 HA LYS 10 -1.448 13.069 -9.445 91 HB2 LYS 10 2HB LYS 10 -2.605 14.493 -7.658 92 HB3 LYS 10 1HB LYS 10 -1.016 15.180 -7.345 93 HG2 LYS 10 2HG LYS 10 -0.883 15.907 -9.687 94 HG3 LYS 10 1HG LYS 10 -2.500 15.251 -9.964 95 HD2 LYS 10 2HD LYS 10 -3.408 16.792 -8.293 96 HD3 LYS 10 1HD LYS 10 -1.790 17.442 -8.004 97 HE2 LYS 10 2HE LYS 10 -2.610 17.451 -10.813 98 HE3 LYS 10 1HE LYS 10 -3.605 18.464 -9.768 99 HZ1 LYS 10 3HZ LYS 10 -1.675 19.635 -10.738 100 HZ2 LYS 10 1HZ LYS 10 -0.642 18.600 -9.884 101 HZ3 LYS 10 2HZ LYS 10 -1.675 19.642 -9.044 102 H GLN 11 H GLN 11 0.966 12.938 -6.954 103 HA GLN 11 HA GLN 11 2.961 14.052 -8.803 104 HB2 GLN 11 2HB GLN 11 2.727 13.970 -5.841 105 HB3 GLN 11 1HB GLN 11 4.353 13.883 -6.528 106 HG2 GLN 11 2HG GLN 11 2.917 15.979 -7.840 107 HG3 GLN 11 1HG GLN 11 2.704 16.166 -6.096 108 HE21 GLN 11 1HE2 GLN 11 4.803 16.524 -8.744 109 HE22 GLN 11 2HE2 GLN 11 6.195 17.065 -7.873 110 H ALA 12 H ALA 12 3.333 12.231 -10.056 111 HA ALA 12 HA ALA 12 4.243 10.234 -10.656 112 HB1 ALA 12 1HB ALA 12 6.377 9.971 -9.976 113 HB2 ALA 12 2HB ALA 12 5.958 10.059 -8.264 114 HB3 ALA 12 3HB ALA 12 6.101 11.542 -9.219 115 H LYS 13 H LYS 13 4.819 7.944 -9.804 116 HA LYS 13 HA LYS 13 2.712 7.144 -7.910 117 HB2 LYS 13 2HB LYS 13 2.499 6.346 -10.278 118 HB3 LYS 13 1HB LYS 13 4.003 5.466 -10.064 119 HG2 LYS 13 2HG LYS 13 2.841 4.339 -8.088 120 HG3 LYS 13 1HG LYS 13 1.349 4.994 -8.766 121 HD2 LYS 13 2HD LYS 13 3.291 3.320 -10.348 122 HD3 LYS 13 1HD LYS 13 1.920 2.641 -9.469 123 HE2 LYS 13 2HE LYS 13 0.639 4.545 -10.832 124 HE3 LYS 13 1HE LYS 13 1.980 4.271 -11.944 125 HZ1 LYS 13 3HZ LYS 13 0.329 2.052 -10.885 126 HZ2 LYS 13 1HZ LYS 13 1.376 2.037 -12.208 127 HZ3 LYS 13 2HZ LYS 13 -0.083 2.886 -12.298 128 H GLU 14 H GLU 14 3.243 6.014 -6.129 129 HA GLU 14 HA GLU 14 6.046 5.140 -5.860 130 HB2 GLU 14 2HB GLU 14 4.706 7.075 -4.351 131 HB3 GLU 14 1HB GLU 14 4.736 5.644 -3.321 132 HG2 GLU 14 2HG GLU 14 6.923 5.828 -2.933 133 HG3 GLU 14 1HG GLU 14 7.289 6.189 -4.620 134 H GLU 15 H GLU 15 6.451 3.189 -4.847 135 HA GLU 15 HA GLU 15 4.080 1.509 -4.349 136 HB2 GLU 15 2HB GLU 15 6.760 0.767 -5.521 137 HB3 GLU 15 1HB GLU 15 5.575 -0.419 -4.991 138 HG2 GLU 15 2HG GLU 15 4.111 0.082 -6.700 139 HG3 GLU 15 1HG GLU 15 4.795 1.688 -6.954 140 H ALA 16 H ALA 16 3.918 0.513 -2.442 141 HA ALA 16 HA ALA 16 6.197 0.721 -0.590 142 HB1 ALA 16 1HB ALA 16 4.579 1.868 0.528 143 HB2 ALA 16 2HB ALA 16 4.189 0.241 1.086 144 HB3 ALA 16 3HB ALA 16 3.262 0.968 -0.227 145 H ILE 17 H ILE 17 6.933 -1.088 0.463 146 HA ILE 17 HA ILE 17 5.455 -3.572 0.282 147 HB ILE 17 HB ILE 17 7.120 -4.863 -0.844 148 HG12 ILE 17 2HG1 ILE 17 8.805 -2.475 -1.497 149 HG13 ILE 17 1HG1 ILE 17 9.018 -3.254 0.067 150 HG21 ILE 17 1HG2 ILE 17 5.492 -3.618 -2.223 151 HG22 ILE 17 2HG2 ILE 17 7.002 -3.951 -3.070 152 HG23 ILE 17 3HG2 ILE 17 6.686 -2.337 -2.433 153 HD11 ILE 17 3HD1 ILE 17 10.269 -3.946 -2.255 154 HD12 ILE 17 1HD1 ILE 17 8.975 -5.133 -2.149 155 HD13 ILE 17 2HD1 ILE 17 10.119 -4.963 -0.823 156 H LYS 18 H LYS 18 6.163 -5.193 1.672 157 HA LYS 18 HA LYS 18 8.491 -4.946 3.283 158 HB2 LYS 18 2HB LYS 18 7.425 -3.197 4.434 159 HB3 LYS 18 1HB LYS 18 5.854 -3.991 4.362 160 HG2 LYS 18 2HG LYS 18 6.193 -5.009 6.314 161 HG3 LYS 18 1HG LYS 18 7.790 -5.578 5.822 162 HD2 LYS 18 2HD LYS 18 8.735 -3.385 6.388 163 HD3 LYS 18 1HD LYS 18 7.138 -2.834 6.899 164 HE2 LYS 18 2HE LYS 18 7.898 -5.331 8.169 165 HE3 LYS 18 1HE LYS 18 9.051 -4.043 8.487 166 HZ1 LYS 18 3HZ LYS 18 6.151 -4.038 9.066 167 HZ2 LYS 18 1HZ LYS 18 7.108 -2.644 9.137 168 HZ3 LYS 18 2HZ LYS 18 7.428 -3.942 10.172 169 H GLU 19 H GLU 19 8.911 -6.828 4.380 170 HA GLU 19 HA GLU 19 6.978 -8.995 3.971 171 HB2 GLU 19 2HB GLU 19 9.323 -9.174 3.046 172 HB3 GLU 19 1HB GLU 19 9.888 -9.266 4.709 173 HG2 GLU 19 2HG GLU 19 8.113 -11.209 4.834 174 HG3 GLU 19 1HG GLU 19 8.398 -11.257 3.095 175 H ALA 20 H ALA 20 5.797 -9.583 5.654 176 HA ALA 20 HA ALA 20 6.997 -9.455 8.340 177 HB1 ALA 20 1HB ALA 20 4.081 -9.054 8.175 178 HB2 ALA 20 2HB ALA 20 5.078 -7.733 7.565 179 HB3 ALA 20 3HB ALA 20 5.277 -8.293 9.225 180 H VAL 21 H VAL 21 5.438 -10.716 9.922 181 HA VAL 21 HA VAL 21 5.207 -13.393 8.789 182 HB VAL 21 HB VAL 21 4.914 -14.129 11.134 183 HG11 VAL 21 1HG1 VAL 21 7.274 -12.642 10.159 184 HG12 VAL 21 2HG1 VAL 21 7.108 -14.332 10.636 185 HG13 VAL 21 3HG1 VAL 21 7.248 -13.077 11.868 186 HG21 VAL 21 3HG2 VAL 21 5.417 -11.244 11.851 187 HG22 VAL 21 1HG2 VAL 21 5.169 -12.588 12.965 188 HG23 VAL 21 2HG2 VAL 21 3.844 -12.038 11.938 189 H ASP 22 H ASP 22 3.185 -11.135 8.382 190 HA ASP 22 HA ASP 22 0.873 -12.709 8.341 191 HB2 ASP 22 2HB ASP 22 1.348 -11.948 10.908 192 HB3 ASP 22 1HB ASP 22 0.353 -10.606 10.351 193 H ALA 23 H ALA 23 -1.123 -10.792 8.592 194 HA ALA 23 HA ALA 23 -0.389 -8.953 6.420 195 HB1 ALA 23 1HB ALA 23 -2.932 -8.785 6.169 196 HB2 ALA 23 2HB ALA 23 -2.995 -10.203 7.216 197 HB3 ALA 23 3HB ALA 23 -2.152 -10.284 5.670 198 H GLY 24 H GLY 24 -1.944 -9.129 9.583 199 HA2 GLY 24 2HA GLY 24 -2.961 -6.582 9.852 200 HA3 GLY 24 1HA GLY 24 -2.252 -7.494 11.178 201 H THR 25 H THR 25 0.376 -7.583 9.854 202 HA THR 25 HA THR 25 1.358 -5.054 10.833 203 HB THR 25 HB THR 25 3.503 -6.382 9.663 204 HG1 THR 25 1HG THR 25 2.277 -8.220 9.292 205 HG21 THR 25 3HG2 THR 25 2.601 -6.902 12.474 206 HG22 THR 25 1HG2 THR 25 3.308 -5.368 11.968 207 HG23 THR 25 2HG2 THR 25 4.245 -6.857 11.836 208 H ALA 26 H ALA 26 0.700 -6.565 7.766 209 HA ALA 26 HA ALA 26 2.235 -4.711 6.202 210 HB1 ALA 26 1HB ALA 26 -0.022 -6.224 4.998 211 HB2 ALA 26 2HB ALA 26 1.340 -7.140 5.641 212 HB3 ALA 26 3HB ALA 26 1.604 -5.936 4.380 213 H GLU 27 H GLU 27 -1.162 -5.068 7.113 214 HA GLU 27 HA GLU 27 -2.133 -2.903 5.561 215 HB2 GLU 27 2HB GLU 27 -3.569 -4.704 6.484 216 HB3 GLU 27 1HB GLU 27 -3.288 -4.073 8.102 217 HG2 GLU 27 2HG GLU 27 -4.809 -2.462 7.861 218 HG3 GLU 27 1HG GLU 27 -4.262 -2.061 6.233 219 H LYS 28 H LYS 28 -1.569 -3.140 9.082 220 HA LYS 28 HA LYS 28 -1.965 -0.450 9.676 221 HB2 LYS 28 2HB LYS 28 -0.841 -2.774 11.014 222 HB3 LYS 28 1HB LYS 28 -0.013 -1.292 11.476 223 HG2 LYS 28 2HG LYS 28 -1.805 -0.470 12.574 224 HG3 LYS 28 1HG LYS 28 -2.963 -1.194 11.458 225 HD2 LYS 28 2HD LYS 28 -1.937 -3.414 12.598 226 HD3 LYS 28 1HD LYS 28 -1.777 -2.274 13.935 227 HE2 LYS 28 2HE LYS 28 -4.301 -1.743 13.044 228 HE3 LYS 28 1HE LYS 28 -4.175 -3.478 12.753 229 HZ1 LYS 28 3HZ LYS 28 -3.608 -3.821 15.048 230 HZ2 LYS 28 1HZ LYS 28 -5.050 -2.939 14.966 231 HZ3 LYS 28 2HZ LYS 28 -3.601 -2.156 15.350 232 H TYR 29 H TYR 29 0.957 -2.112 8.583 233 HA TYR 29 HA TYR 29 2.683 0.132 8.946 234 HB2 TYR 29 2HB TYR 29 3.671 -2.066 8.867 235 HB3 TYR 29 1HB TYR 29 2.966 -2.381 7.279 236 HD1 TYR 29 2HD TYR 29 3.818 -1.065 5.302 237 HD2 TYR 29 1HD TYR 29 5.760 -1.001 9.085 238 HE1 TYR 29 2HE TYR 29 5.862 -0.211 4.231 239 HE2 TYR 29 1HE TYR 29 7.809 -0.146 8.026 240 HH TYR 29 HH TYR 29 8.239 -0.093 4.629 241 H PHE 30 H PHE 30 1.070 -1.276 6.104 242 HA PHE 30 HA PHE 30 1.979 0.622 4.240 243 HB2 PHE 30 2HB PHE 30 -0.302 -1.321 4.325 244 HB3 PHE 30 1HB PHE 30 -0.295 -0.080 3.072 245 HD1 PHE 30 2HD PHE 30 3.057 -0.631 3.567 246 HD2 PHE 30 1HD PHE 30 -0.383 -2.620 2.035 247 HE1 PHE 30 2HE PHE 30 4.503 -2.055 2.180 248 HE2 PHE 30 1HE PHE 30 1.062 -4.049 0.646 249 HZ PHE 30 HZ PHE 30 3.506 -3.766 0.717 250 H LYS 31 H LYS 31 -0.904 0.498 6.282 251 HA LYS 31 HA LYS 31 -2.177 2.789 5.316 252 HB2 LYS 31 2HB LYS 31 -2.911 0.961 7.070 253 HB3 LYS 31 1HB LYS 31 -2.290 2.130 8.227 254 HG2 LYS 31 2HG LYS 31 -4.209 3.039 6.139 255 HG3 LYS 31 1HG LYS 31 -4.807 2.139 7.533 256 HD2 LYS 31 2HD LYS 31 -2.932 4.310 8.171 257 HD3 LYS 31 1HD LYS 31 -4.462 4.834 7.468 258 HE2 LYS 31 2HE LYS 31 -5.470 4.542 9.423 259 HE3 LYS 31 1HE LYS 31 -5.020 2.837 9.411 260 HZ1 LYS 31 3HZ LYS 31 -3.719 5.094 10.748 261 HZ2 LYS 31 1HZ LYS 31 -2.743 3.819 10.215 262 HZ3 LYS 31 2HZ LYS 31 -3.999 3.524 11.310 263 H LEU 32 H LEU 32 0.414 2.422 7.688 264 HA LEU 32 HA LEU 32 0.366 5.060 8.674 265 HB2 LEU 32 2HB LEU 32 2.534 2.973 8.566 266 HB3 LEU 32 1HB LEU 32 2.762 4.541 9.326 267 HG LEU 32 HG LEU 32 1.673 2.168 10.444 268 HD11 LEU 32 1HD1 LEU 32 1.602 3.617 12.485 269 HD12 LEU 32 2HD1 LEU 32 2.075 4.968 11.454 270 HD13 LEU 32 3HD1 LEU 32 3.150 3.581 11.641 271 HD21 LEU 32 3HD2 LEU 32 -0.419 2.996 11.399 272 HD22 LEU 32 1HD2 LEU 32 -0.522 2.882 9.644 273 HD23 LEU 32 2HD2 LEU 32 -0.300 4.453 10.413 274 H ILE 33 H ILE 33 2.124 3.574 5.969 275 HA ILE 33 HA ILE 33 3.593 5.954 5.365 276 HB ILE 33 HB ILE 33 4.444 3.737 4.736 277 HG12 ILE 33 2HG1 ILE 33 5.194 4.314 2.484 278 HG13 ILE 33 1HG1 ILE 33 3.889 5.485 2.331 279 HG21 ILE 33 1HG2 ILE 33 1.971 3.676 3.055 280 HG22 ILE 33 2HG2 ILE 33 2.617 2.446 4.140 281 HG23 ILE 33 3HG2 ILE 33 3.400 2.754 2.592 282 HD11 ILE 33 3HD1 ILE 33 6.033 5.671 4.427 283 HD12 ILE 33 1HD1 ILE 33 4.861 6.905 3.959 284 HD13 ILE 33 2HD1 ILE 33 6.144 6.437 2.841 285 H ALA 34 H ALA 34 0.524 4.605 4.422 286 HA ALA 34 HA ALA 34 0.068 6.118 2.097 287 HB1 ALA 34 1HB ALA 34 -2.042 5.181 4.031 288 HB2 ALA 34 2HB ALA 34 -1.254 4.129 2.855 289 HB3 ALA 34 3HB ALA 34 -2.222 5.496 2.305 290 H ASN 35 H ASN 35 -1.489 6.638 5.271 291 HA ASN 35 HA ASN 35 -2.363 9.225 4.715 292 HB2 ASN 35 2HB ASN 35 -2.438 9.449 7.279 293 HB3 ASN 35 1HB ASN 35 -3.407 8.189 6.528 294 HD21 ASN 35 1HD2 ASN 35 0.002 8.478 7.642 295 HD22 ASN 35 2HD2 ASN 35 -0.016 6.994 8.516 296 H ALA 36 H ALA 36 0.799 8.113 5.504 297 HA ALA 36 HA ALA 36 1.726 10.678 6.464 298 HB1 ALA 36 1HB ALA 36 2.769 8.804 7.457 299 HB2 ALA 36 2HB ALA 36 3.974 9.531 6.394 300 HB3 ALA 36 3HB ALA 36 3.116 8.075 5.889 301 H LYS 37 H LYS 37 1.495 9.011 3.435 302 HA LYS 37 HA LYS 37 3.313 10.935 2.167 303 HB2 LYS 37 2HB LYS 37 2.154 8.326 1.185 304 HB3 LYS 37 1HB LYS 37 3.096 9.413 0.173 305 HG2 LYS 37 2HG LYS 37 4.648 9.042 2.454 306 HG3 LYS 37 1HG LYS 37 3.978 7.450 2.089 307 HD2 LYS 37 2HD LYS 37 6.032 7.620 0.906 308 HD3 LYS 37 1HD LYS 37 4.741 7.797 -0.286 309 HE2 LYS 37 2HE LYS 37 6.658 9.412 -0.513 310 HE3 LYS 37 1HE LYS 37 5.054 10.134 -0.409 311 HZ1 LYS 37 3HZ LYS 37 5.506 11.070 1.575 312 HZ2 LYS 37 1HZ LYS 37 7.112 10.935 1.056 313 HZ3 LYS 37 2HZ LYS 37 6.465 9.785 2.106 314 H THR 38 H THR 38 -0.023 9.873 2.232 315 HA THR 38 HA THR 38 -0.917 12.311 1.053 316 HB THR 38 HB THR 38 -2.182 10.850 -0.786 317 HG1 THR 38 1HG THR 38 -1.350 8.933 -0.844 318 HG21 THR 38 3HG2 THR 38 -0.393 12.781 -0.987 319 HG22 THR 38 1HG2 THR 38 -0.890 11.811 -2.375 320 HG23 THR 38 2HG2 THR 38 0.617 11.437 -1.536 321 H VAL 39 H VAL 39 -3.426 11.888 0.398 322 HA VAL 39 HA VAL 39 -4.704 10.020 2.203 323 HB VAL 39 HB VAL 39 -4.267 11.924 3.683 324 HG11 VAL 39 1HG1 VAL 39 -4.613 13.496 1.520 325 HG12 VAL 39 2HG1 VAL 39 -4.672 14.074 3.186 326 HG13 VAL 39 3HG1 VAL 39 -6.166 13.709 2.326 327 HG21 VAL 39 3HG2 VAL 39 -6.319 11.879 4.692 328 HG22 VAL 39 1HG2 VAL 39 -6.506 10.530 3.572 329 HG23 VAL 39 2HG2 VAL 39 -7.192 12.104 3.177 330 H GLU 40 H GLU 40 -5.072 9.555 -0.237 331 HA GLU 40 HA GLU 40 -7.778 9.949 -0.805 332 HB2 GLU 40 2HB GLU 40 -6.314 12.209 -1.452 333 HB3 GLU 40 1HB GLU 40 -6.478 11.369 -2.994 334 HG2 GLU 40 2HG GLU 40 -8.495 12.252 -3.183 335 HG3 GLU 40 1HG GLU 40 -9.008 11.267 -1.819 336 H GLY 41 H GLY 41 -8.322 8.214 -1.958 337 HA2 GLY 41 2HA GLY 41 -7.359 7.408 -4.394 338 HA3 GLY 41 1HA GLY 41 -6.294 6.621 -3.232 339 H VAL 42 H VAL 42 -7.636 4.995 -4.836 340 HA VAL 42 HA VAL 42 -9.986 4.071 -3.334 341 HB VAL 42 HB VAL 42 -9.132 3.060 -6.043 342 HG11 VAL 42 1HG1 VAL 42 -10.682 1.629 -4.892 343 HG12 VAL 42 2HG1 VAL 42 -11.535 2.460 -6.192 344 HG13 VAL 42 3HG1 VAL 42 -11.735 2.996 -4.525 345 HG21 VAL 42 3HG2 VAL 42 -10.370 5.615 -5.336 346 HG22 VAL 42 1HG2 VAL 42 -11.270 4.689 -6.537 347 HG23 VAL 42 2HG2 VAL 42 -9.583 5.109 -6.831 348 H TRP 43 H TRP 43 -9.421 2.721 -1.809 349 HA TRP 43 HA TRP 43 -7.104 1.130 -1.796 350 HB2 TRP 43 2HB TRP 43 -9.473 1.637 -0.106 351 HB3 TRP 43 1HB TRP 43 -8.691 0.094 0.140 352 HD1 TRP 43 HD TRP 43 -7.969 3.873 0.342 353 HE1 TRP 43 1HE TRP 43 -6.018 4.267 1.954 354 HE3 TRP 43 3HE TRP 43 -6.654 -1.005 1.253 355 HZ2 TRP 43 2HZ TRP 43 -4.171 2.758 3.415 356 HZ3 TRP 43 3HZ TRP 43 -4.715 -1.427 2.829 357 HH2 TRP 43 HH TRP 43 -3.538 0.432 3.851 358 H THR 44 H THR 44 -6.774 -0.850 -2.577 359 HA THR 44 HA THR 44 -8.945 -2.742 -2.860 360 HB THR 44 HB THR 44 -8.912 -1.407 -5.004 361 HG1 THR 44 1HG THR 44 -8.244 -4.141 -5.313 362 HG21 THR 44 3HG2 THR 44 -6.738 -0.949 -5.600 363 HG22 THR 44 1HG2 THR 44 -7.128 -2.318 -6.641 364 HG23 THR 44 2HG2 THR 44 -6.167 -2.565 -5.183 365 H TYR 45 H TYR 45 -8.146 -4.931 -3.390 366 HA TYR 45 HA TYR 45 -5.270 -5.286 -3.043 367 HB2 TYR 45 2HB TYR 45 -5.752 -5.487 -0.790 368 HB3 TYR 45 1HB TYR 45 -7.350 -6.178 -1.075 369 HD1 TYR 45 2HD TYR 45 -7.482 -8.587 -1.869 370 HD2 TYR 45 1HD TYR 45 -3.897 -6.857 -0.370 371 HE1 TYR 45 2HE TYR 45 -6.578 -10.835 -1.457 372 HE2 TYR 45 1HE TYR 45 -2.980 -9.102 0.048 373 HH TYR 45 HH TYR 45 -4.908 -11.931 -0.108 374 H LYS 46 H LYS 46 -4.430 -7.125 -3.907 375 HA LYS 46 HA LYS 46 -6.315 -8.896 -5.318 376 HB2 LYS 46 2HB LYS 46 -4.807 -7.241 -6.678 377 HB3 LYS 46 1HB LYS 46 -3.531 -8.405 -6.322 378 HG2 LYS 46 2HG LYS 46 -4.308 -9.886 -7.802 379 HG3 LYS 46 1HG LYS 46 -5.989 -9.610 -7.351 380 HD2 LYS 46 2HD LYS 46 -5.710 -8.922 -9.623 381 HD3 LYS 46 1HD LYS 46 -5.913 -7.472 -8.633 382 HE2 LYS 46 2HE LYS 46 -4.093 -6.747 -9.734 383 HE3 LYS 46 1HE LYS 46 -3.217 -7.758 -8.587 384 HZ1 LYS 46 3HZ LYS 46 -2.710 -9.262 -10.165 385 HZ2 LYS 46 1HZ LYS 46 -2.954 -7.963 -11.220 386 HZ3 LYS 46 2HZ LYS 46 -4.186 -9.097 -10.976 387 H ASP 47 H ASP 47 -6.094 -11.004 -5.032 388 HA ASP 47 HA ASP 47 -4.273 -11.938 -3.020 389 HB2 ASP 47 2HB ASP 47 -5.405 -14.138 -3.457 390 HB3 ASP 47 1HB ASP 47 -6.489 -12.831 -2.989 391 H GLU 48 H GLU 48 -3.913 -11.434 -6.276 392 HA GLU 48 HA GLU 48 -2.693 -13.712 -7.274 393 HB2 GLU 48 2HB GLU 48 -1.479 -12.349 -8.859 394 HB3 GLU 48 1HB GLU 48 -3.102 -11.710 -8.697 395 HG2 GLU 48 2HG GLU 48 -2.339 -9.722 -8.005 396 HG3 GLU 48 1HG GLU 48 -1.199 -10.451 -6.873 397 H ILE 49 H ILE 49 -1.365 -11.300 -5.111 398 HA ILE 49 HA ILE 49 0.682 -13.113 -4.249 399 HB ILE 49 HB ILE 49 2.545 -11.428 -4.698 400 HG12 ILE 49 2HG1 ILE 49 1.381 -10.500 -7.169 401 HG13 ILE 49 1HG1 ILE 49 0.400 -9.979 -5.808 402 HG21 ILE 49 1HG2 ILE 49 3.200 -12.599 -6.552 403 HG22 ILE 49 2HG2 ILE 49 1.589 -12.583 -7.268 404 HG23 ILE 49 3HG2 ILE 49 1.944 -13.665 -5.921 405 HD11 ILE 49 3HD1 ILE 49 1.842 -8.246 -5.873 406 HD12 ILE 49 1HD1 ILE 49 3.140 -9.206 -6.583 407 HD13 ILE 49 2HD1 ILE 49 2.797 -9.327 -4.858 408 H LYS 50 H LYS 50 -1.546 -11.509 -3.162 409 HA LYS 50 HA LYS 50 -2.047 -10.246 -1.336 410 HB2 LYS 50 2HB LYS 50 0.680 -11.301 -0.649 411 HB3 LYS 50 1HB LYS 50 -0.160 -10.209 0.443 412 HG2 LYS 50 2HG LYS 50 -1.087 -12.027 1.322 413 HG3 LYS 50 1HG LYS 50 -2.072 -12.101 -0.140 414 HD2 LYS 50 2HD LYS 50 0.356 -13.276 -0.850 415 HD3 LYS 50 1HD LYS 50 0.015 -13.884 0.772 416 HE2 LYS 50 2HE LYS 50 -2.245 -13.859 -1.135 417 HE3 LYS 50 1HE LYS 50 -0.952 -15.012 -1.463 418 HZ1 LYS 50 3HZ LYS 50 -2.774 -14.875 0.840 419 HZ2 LYS 50 1HZ LYS 50 -1.246 -15.576 1.034 420 HZ3 LYS 50 2HZ LYS 50 -2.331 -16.211 -0.097 421 H THR 51 H THR 51 -2.199 -8.289 -2.523 422 HA THR 51 HA THR 51 -0.320 -6.291 -1.642 423 HB THR 51 HB THR 51 0.894 -6.946 -3.578 424 HG1 THR 51 1HG THR 51 0.690 -5.084 -4.886 425 HG21 THR 51 3HG2 THR 51 -0.298 -6.755 -5.860 426 HG22 THR 51 1HG2 THR 51 -1.763 -7.052 -4.925 427 HG23 THR 51 2HG2 THR 51 -0.458 -8.237 -4.918 428 H PHE 52 H PHE 52 -1.201 -4.301 -1.501 429 HA PHE 52 HA PHE 52 -3.987 -4.036 -2.391 430 HB2 PHE 52 2HB PHE 52 -2.743 -2.228 -0.349 431 HB3 PHE 52 1HB PHE 52 -4.432 -2.680 -0.547 432 HD1 PHE 52 2HD PHE 52 -1.122 -4.058 0.437 433 HD2 PHE 52 1HD PHE 52 -5.355 -4.347 0.777 434 HE1 PHE 52 2HE PHE 52 -0.862 -5.769 2.186 435 HE2 PHE 52 1HE PHE 52 -5.101 -6.056 2.528 436 HZ PHE 52 HZ PHE 52 -2.853 -6.770 3.234 437 H THR 53 H THR 53 -4.655 -1.753 -2.947 438 HA THR 53 HA THR 53 -2.481 -0.104 -3.954 439 HB THR 53 HB THR 53 -4.644 -1.254 -5.733 440 HG1 THR 53 1HG THR 53 -2.969 -2.213 -6.781 441 HG21 THR 53 3HG2 THR 53 -3.926 0.044 -7.540 442 HG22 THR 53 1HG2 THR 53 -2.511 0.642 -6.674 443 HG23 THR 53 2HG2 THR 53 -4.127 1.186 -6.213 444 H VAL 54 H VAL 54 -3.062 2.050 -4.395 445 HA VAL 54 HA VAL 54 -5.784 2.852 -3.652 446 HB VAL 54 HB VAL 54 -3.882 3.059 -1.778 447 HG11 VAL 54 1HG1 VAL 54 -2.466 4.549 -3.199 448 HG12 VAL 54 2HG1 VAL 54 -2.907 5.232 -1.635 449 HG13 VAL 54 3HG1 VAL 54 -3.740 5.766 -3.094 450 HG21 VAL 54 3HG2 VAL 54 -5.235 5.095 -0.952 451 HG22 VAL 54 1HG2 VAL 54 -6.059 3.557 -1.191 452 HG23 VAL 54 2HG2 VAL 54 -6.206 4.830 -2.399 453 H THR 55 H THR 55 -6.465 3.629 -5.540 454 HA THR 55 HA THR 55 -4.686 5.382 -7.081 455 HB THR 55 HB THR 55 -7.322 4.365 -8.089 456 HG1 THR 55 1HG THR 55 -6.612 2.410 -8.108 457 HG21 THR 55 3HG2 THR 55 -5.999 4.238 -10.223 458 HG22 THR 55 1HG2 THR 55 -4.721 5.113 -9.380 459 HG23 THR 55 2HG2 THR 55 -6.305 5.858 -9.597 460 H GLU 56 H GLU 56 -5.001 7.499 -7.125 461 HA GLU 56 HA GLU 56 -7.458 8.584 -5.964 462 HB2 GLU 56 2HB GLU 56 -5.378 9.409 -5.011 463 HB3 GLU 56 1HB GLU 56 -4.812 9.887 -6.597 464 HG2 GLU 56 2HG GLU 56 -6.804 11.443 -6.691 465 HG3 GLU 56 1HG GLU 56 -7.036 11.091 -4.980 Start of MODEL 7 1 H1 THR 1 1HT THR 1 4.973 -14.423 5.215 2 H2 THR 1 2HT THR 1 5.372 -12.787 5.547 3 H3 THR 1 3HT THR 1 6.382 -13.729 4.528 4 HA THR 1 HA THR 1 4.838 -13.783 2.839 5 HB THR 1 HB THR 1 2.560 -12.685 3.263 6 HG1 THR 1 1HG THR 1 1.920 -12.530 5.381 7 HG21 THR 1 1HG2 THR 1 2.661 -15.025 5.048 8 HG22 THR 1 2HG2 THR 1 3.238 -15.266 3.399 9 HG23 THR 1 3HG2 THR 1 1.599 -14.674 3.683 10 H THR 2 H THR 2 5.259 -12.264 1.368 11 HA THR 2 HA THR 2 5.988 -9.592 2.295 12 HB THR 2 HB THR 2 7.635 -10.640 0.899 13 HG1 THR 2 1HG THR 2 7.144 -8.388 0.502 14 HG21 THR 2 3HG2 THR 2 6.908 -10.981 -1.596 15 HG22 THR 2 1HG2 THR 2 5.334 -11.285 -0.859 16 HG23 THR 2 2HG2 THR 2 6.725 -12.268 -0.404 17 H TYR 3 H TYR 3 4.809 -7.823 1.897 18 HA TYR 3 HA TYR 3 2.486 -8.101 0.103 19 HB2 TYR 3 2HB TYR 3 2.739 -6.304 2.526 20 HB3 TYR 3 1HB TYR 3 1.306 -6.502 1.512 21 HD1 TYR 3 2HD TYR 3 3.586 -8.363 3.791 22 HD2 TYR 3 1HD TYR 3 -0.274 -8.153 2.014 23 HE1 TYR 3 2HE TYR 3 2.825 -10.201 5.238 24 HE2 TYR 3 1HE TYR 3 -1.045 -9.988 3.456 25 HH TYR 3 HH TYR 3 -0.148 -11.824 4.738 26 H LYS 4 H LYS 4 1.921 -6.336 -1.209 27 HA LYS 4 HA LYS 4 3.935 -4.198 -1.417 28 HB2 LYS 4 2HB LYS 4 2.660 -5.580 -3.782 29 HB3 LYS 4 1HB LYS 4 3.915 -4.346 -3.827 30 HG2 LYS 4 2HG LYS 4 5.184 -6.158 -2.348 31 HG3 LYS 4 1HG LYS 4 4.110 -7.239 -3.239 32 HD2 LYS 4 2HD LYS 4 4.907 -6.209 -5.351 33 HD3 LYS 4 1HD LYS 4 6.055 -5.252 -4.412 34 HE2 LYS 4 2HE LYS 4 6.890 -7.490 -3.496 35 HE3 LYS 4 1HE LYS 4 5.978 -8.229 -4.812 36 HZ1 LYS 4 3HZ LYS 4 8.435 -6.674 -4.899 37 HZ2 LYS 4 1HZ LYS 4 7.335 -6.395 -6.156 38 HZ3 LYS 4 2HZ LYS 4 7.928 -7.954 -5.881 39 H LEU 5 H LEU 5 3.203 -2.210 -2.202 40 HA LEU 5 HA LEU 5 0.293 -1.922 -2.417 41 HB2 LEU 5 2HB LEU 5 0.569 -1.211 -0.247 42 HB3 LEU 5 1HB LEU 5 2.182 -0.573 -0.552 43 HG LEU 5 HG LEU 5 1.217 1.361 -1.699 44 HD11 LEU 5 1HD1 LEU 5 -0.957 -0.225 -2.146 45 HD12 LEU 5 2HD1 LEU 5 -0.910 1.523 -2.373 46 HD13 LEU 5 3HD1 LEU 5 -1.540 0.845 -0.871 47 HD21 LEU 5 3HD2 LEU 5 0.551 0.676 1.088 48 HD22 LEU 5 1HD2 LEU 5 -0.330 2.041 0.402 49 HD23 LEU 5 2HD2 LEU 5 1.435 2.055 0.436 50 H ILE 6 H ILE 6 -0.399 -0.608 -4.004 51 HA ILE 6 HA ILE 6 1.641 0.880 -5.515 52 HB ILE 6 HB ILE 6 -0.966 -0.316 -6.448 53 HG12 ILE 6 2HG1 ILE 6 0.666 -1.493 -8.038 54 HG13 ILE 6 1HG1 ILE 6 1.938 -0.936 -6.956 55 HG21 ILE 6 1HG2 ILE 6 -0.300 0.500 -8.701 56 HG22 ILE 6 2HG2 ILE 6 0.980 1.439 -7.934 57 HG23 ILE 6 3HG2 ILE 6 -0.709 1.788 -7.570 58 HD11 ILE 6 3HD1 ILE 6 -0.398 -2.565 -6.010 59 HD12 ILE 6 1HD1 ILE 6 1.118 -2.238 -5.172 60 HD13 ILE 6 2HD1 ILE 6 1.103 -3.281 -6.594 61 H LEU 7 H LEU 7 1.606 2.957 -4.946 62 HA LEU 7 HA LEU 7 -0.973 4.239 -4.379 63 HB2 LEU 7 2HB LEU 7 1.794 5.316 -3.840 64 HB3 LEU 7 1HB LEU 7 0.268 5.962 -3.246 65 HG LEU 7 HG LEU 7 1.146 3.187 -2.509 66 HD11 LEU 7 1HD1 LEU 7 2.597 3.874 -0.931 67 HD12 LEU 7 2HD1 LEU 7 1.699 5.354 -0.597 68 HD13 LEU 7 3HD1 LEU 7 2.775 5.271 -1.992 69 HD21 LEU 7 3HD2 LEU 7 -0.161 4.011 -0.406 70 HD22 LEU 7 1HD2 LEU 7 -1.036 3.472 -1.838 71 HD23 LEU 7 2HD2 LEU 7 -0.828 5.197 -1.527 72 H ASN 8 H ASN 8 -1.801 5.747 -5.681 73 HA ASN 8 HA ASN 8 -0.074 6.892 -7.774 74 HB2 ASN 8 2HB ASN 8 -1.970 5.056 -8.350 75 HB3 ASN 8 1HB ASN 8 -2.946 6.525 -8.421 76 HD21 ASN 8 1HD2 ASN 8 -0.990 8.284 -9.375 77 HD22 ASN 8 2HD2 ASN 8 -0.610 7.838 -10.997 78 H LEU 9 H LEU 9 0.176 8.944 -7.141 79 HA LEU 9 HA LEU 9 -2.218 10.428 -6.280 80 HB2 LEU 9 2HB LEU 9 -0.784 11.914 -5.057 81 HB3 LEU 9 1HB LEU 9 -0.410 10.249 -4.599 82 HG LEU 9 HG LEU 9 1.278 11.203 -6.782 83 HD11 LEU 9 1HD1 LEU 9 1.085 13.367 -5.807 84 HD12 LEU 9 2HD1 LEU 9 2.637 12.694 -5.303 85 HD13 LEU 9 3HD1 LEU 9 1.278 12.712 -4.178 86 HD21 LEU 9 3HD2 LEU 9 2.138 10.348 -4.042 87 HD22 LEU 9 1HD2 LEU 9 2.957 10.117 -5.584 88 HD23 LEU 9 2HD2 LEU 9 1.509 9.181 -5.206 89 H LYS 10 H LYS 10 -1.746 12.941 -6.666 90 HA LYS 10 HA LYS 10 -1.652 13.228 -9.523 91 HB2 LYS 10 2HB LYS 10 -2.373 14.933 -7.207 92 HB3 LYS 10 1HB LYS 10 -1.809 15.774 -8.646 93 HG2 LYS 10 2HG LYS 10 -3.564 14.159 -9.808 94 HG3 LYS 10 1HG LYS 10 -4.289 14.225 -8.202 95 HD2 LYS 10 2HD LYS 10 -5.313 16.014 -9.205 96 HD3 LYS 10 1HD LYS 10 -3.912 16.803 -8.477 97 HE2 LYS 10 2HE LYS 10 -2.987 17.283 -10.474 98 HE3 LYS 10 1HE LYS 10 -3.455 15.730 -11.170 99 HZ1 LYS 10 3HZ LYS 10 -5.827 16.909 -10.967 100 HZ2 LYS 10 1HZ LYS 10 -4.848 17.032 -12.346 101 HZ3 LYS 10 2HZ LYS 10 -4.853 18.276 -11.203 102 H GLN 11 H GLN 11 0.697 12.359 -9.333 103 HA GLN 11 HA GLN 11 2.441 14.404 -10.117 104 HB2 GLN 11 2HB GLN 11 2.407 13.795 -7.237 105 HB3 GLN 11 1HB GLN 11 4.016 13.762 -7.972 106 HG2 GLN 11 2HG GLN 11 2.662 16.089 -8.912 107 HG3 GLN 11 1HG GLN 11 2.462 16.010 -7.158 108 HE21 GLN 11 1HE2 GLN 11 4.493 16.889 -9.679 109 HE22 GLN 11 2HE2 GLN 11 5.936 17.153 -8.768 110 H ALA 12 H ALA 12 2.539 11.330 -8.319 111 HA ALA 12 HA ALA 12 3.680 9.944 -10.552 112 HB1 ALA 12 1HB ALA 12 5.543 11.278 -9.135 113 HB2 ALA 12 2HB ALA 12 5.852 9.753 -9.967 114 HB3 ALA 12 3HB ALA 12 5.497 9.756 -8.239 115 H LYS 13 H LYS 13 4.735 7.747 -9.356 116 HA LYS 13 HA LYS 13 2.631 6.806 -7.529 117 HB2 LYS 13 2HB LYS 13 2.659 4.627 -8.716 118 HB3 LYS 13 1HB LYS 13 2.070 5.948 -9.713 119 HG2 LYS 13 2HG LYS 13 4.936 5.549 -9.972 120 HG3 LYS 13 1HG LYS 13 4.002 4.118 -10.407 121 HD2 LYS 13 2HD LYS 13 2.960 6.653 -11.454 122 HD3 LYS 13 1HD LYS 13 4.534 6.170 -12.092 123 HE2 LYS 13 2HE LYS 13 3.588 4.632 -13.392 124 HE3 LYS 13 1HE LYS 13 2.760 3.916 -12.018 125 HZ1 LYS 13 3HZ LYS 13 1.021 4.573 -13.338 126 HZ2 LYS 13 1HZ LYS 13 1.800 5.969 -13.889 127 HZ3 LYS 13 2HZ LYS 13 1.164 5.912 -12.326 128 H GLU 14 H GLU 14 3.408 5.949 -5.727 129 HA GLU 14 HA GLU 14 6.193 4.987 -5.722 130 HB2 GLU 14 2HB GLU 14 4.920 6.929 -4.101 131 HB3 GLU 14 1HB GLU 14 5.225 5.528 -3.074 132 HG2 GLU 14 2HG GLU 14 7.254 6.390 -2.794 133 HG3 GLU 14 1HG GLU 14 7.591 5.792 -4.417 134 H GLU 15 H GLU 15 6.526 2.911 -5.258 135 HA GLU 15 HA GLU 15 4.246 1.325 -4.326 136 HB2 GLU 15 2HB GLU 15 6.767 0.638 -5.813 137 HB3 GLU 15 1HB GLU 15 5.810 -0.610 -5.025 138 HG2 GLU 15 2HG GLU 15 3.841 0.226 -6.358 139 HG3 GLU 15 1HG GLU 15 4.986 1.208 -7.271 140 H ALA 16 H ALA 16 4.180 0.515 -2.343 141 HA ALA 16 HA ALA 16 6.645 0.571 -0.735 142 HB1 ALA 16 1HB ALA 16 5.199 0.704 1.233 143 HB2 ALA 16 2HB ALA 16 3.775 0.659 0.194 144 HB3 ALA 16 3HB ALA 16 4.882 2.029 0.113 145 H ILE 17 H ILE 17 7.435 -1.280 0.061 146 HA ILE 17 HA ILE 17 5.706 -3.641 0.164 147 HB ILE 17 HB ILE 17 7.362 -5.058 -0.894 148 HG12 ILE 17 2HG1 ILE 17 9.356 -3.723 -0.195 149 HG13 ILE 17 1HG1 ILE 17 9.392 -4.206 -1.888 150 HG21 ILE 17 1HG2 ILE 17 5.694 -4.080 -2.338 151 HG22 ILE 17 2HG2 ILE 17 7.229 -4.183 -3.198 152 HG23 ILE 17 3HG2 ILE 17 6.682 -2.634 -2.556 153 HD11 ILE 17 3HD1 ILE 17 8.166 -1.728 -1.922 154 HD12 ILE 17 1HD1 ILE 17 9.838 -2.085 -2.349 155 HD13 ILE 17 2HD1 ILE 17 9.437 -1.570 -0.710 156 H LYS 18 H LYS 18 6.345 -5.247 1.614 157 HA LYS 18 HA LYS 18 8.720 -5.081 3.163 158 HB2 LYS 18 2HB LYS 18 7.805 -3.235 4.276 159 HB3 LYS 18 1HB LYS 18 6.175 -3.907 4.240 160 HG2 LYS 18 2HG LYS 18 6.960 -3.983 6.487 161 HG3 LYS 18 1HG LYS 18 6.943 -5.638 5.876 162 HD2 LYS 18 2HD LYS 18 9.171 -5.852 6.071 163 HD3 LYS 18 1HD LYS 18 9.474 -4.235 5.435 164 HE2 LYS 18 2HE LYS 18 8.796 -3.309 7.645 165 HE3 LYS 18 1HE LYS 18 8.675 -4.961 8.251 166 HZ1 LYS 18 3HZ LYS 18 10.855 -3.571 8.539 167 HZ2 LYS 18 1HZ LYS 18 11.183 -4.121 6.973 168 HZ3 LYS 18 2HZ LYS 18 10.933 -5.231 8.223 169 H GLU 19 H GLU 19 9.025 -6.911 4.415 170 HA GLU 19 HA GLU 19 7.066 -9.038 3.987 171 HB2 GLU 19 2HB GLU 19 9.567 -9.249 3.451 172 HB3 GLU 19 1HB GLU 19 9.794 -9.382 5.188 173 HG2 GLU 19 2HG GLU 19 7.829 -11.208 4.747 174 HG3 GLU 19 1HG GLU 19 8.777 -11.332 3.268 175 H ALA 20 H ALA 20 5.776 -9.741 5.557 176 HA ALA 20 HA ALA 20 6.586 -9.393 8.351 177 HB1 ALA 20 1HB ALA 20 5.223 -7.590 8.415 178 HB2 ALA 20 2HB ALA 20 3.978 -8.824 8.614 179 HB3 ALA 20 3HB ALA 20 4.277 -8.120 7.024 180 H VAL 21 H VAL 21 5.266 -10.684 9.855 181 HA VAL 21 HA VAL 21 5.045 -13.348 9.029 182 HB VAL 21 HB VAL 21 3.888 -13.749 11.183 183 HG11 VAL 21 1HG1 VAL 21 6.464 -12.341 10.911 184 HG12 VAL 21 2HG1 VAL 21 6.097 -13.914 11.618 185 HG13 VAL 21 3HG1 VAL 21 5.803 -12.441 12.542 186 HG21 VAL 21 3HG2 VAL 21 3.936 -10.743 11.338 187 HG22 VAL 21 1HG2 VAL 21 3.700 -11.784 12.743 188 HG23 VAL 21 2HG2 VAL 21 2.535 -11.811 11.419 189 H ASP 22 H ASP 22 2.514 -10.908 9.576 190 HA ASP 22 HA ASP 22 0.712 -12.546 7.930 191 HB2 ASP 22 2HB ASP 22 -0.243 -10.978 10.326 192 HB3 ASP 22 1HB ASP 22 -1.137 -12.166 9.381 193 H ALA 23 H ALA 23 -1.472 -10.816 7.949 194 HA ALA 23 HA ALA 23 -0.463 -8.721 6.210 195 HB1 ALA 23 1HB ALA 23 -2.292 -9.796 5.261 196 HB2 ALA 23 2HB ALA 23 -2.984 -8.307 5.907 197 HB3 ALA 23 3HB ALA 23 -3.188 -9.825 6.782 198 H GLY 24 H GLY 24 -2.064 -9.044 9.327 199 HA2 GLY 24 2HA GLY 24 -2.957 -6.492 9.812 200 HA3 GLY 24 1HA GLY 24 -2.265 -7.528 11.052 201 H THR 25 H THR 25 0.350 -7.642 9.798 202 HA THR 25 HA THR 25 1.423 -5.203 10.890 203 HB THR 25 HB THR 25 3.037 -7.259 9.408 204 HG1 THR 25 1HG THR 25 3.136 -8.417 11.388 205 HG21 THR 25 3HG2 THR 25 4.471 -6.760 11.558 206 HG22 THR 25 1HG2 THR 25 3.559 -5.250 11.524 207 HG23 THR 25 2HG2 THR 25 4.539 -5.721 10.135 208 H ALA 26 H ALA 26 0.759 -6.542 7.743 209 HA ALA 26 HA ALA 26 2.355 -4.635 6.302 210 HB1 ALA 26 1HB ALA 26 0.148 -5.998 4.898 211 HB2 ALA 26 2HB ALA 26 1.355 -7.047 5.642 212 HB3 ALA 26 3HB ALA 26 1.848 -5.838 4.458 213 H GLU 27 H GLU 27 -1.074 -5.037 7.075 214 HA GLU 27 HA GLU 27 -2.033 -2.831 5.607 215 HB2 GLU 27 2HB GLU 27 -3.500 -4.596 6.485 216 HB3 GLU 27 1HB GLU 27 -3.149 -4.081 8.127 217 HG2 GLU 27 2HG GLU 27 -4.623 -2.408 8.045 218 HG3 GLU 27 1HG GLU 27 -4.145 -1.939 6.413 219 H LYS 28 H LYS 28 -1.290 -3.125 9.086 220 HA LYS 28 HA LYS 28 -1.745 -0.466 9.781 221 HB2 LYS 28 2HB LYS 28 -0.268 -2.742 10.953 222 HB3 LYS 28 1HB LYS 28 0.217 -1.149 11.519 223 HG2 LYS 28 2HG LYS 28 -2.683 -1.632 11.450 224 HG3 LYS 28 1HG LYS 28 -1.772 -2.607 12.606 225 HD2 LYS 28 2HD LYS 28 -1.686 -0.871 13.991 226 HD3 LYS 28 1HD LYS 28 -0.802 0.052 12.774 227 HE2 LYS 28 2HE LYS 28 -2.625 1.233 12.162 228 HE3 LYS 28 1HE LYS 28 -3.708 -0.146 12.346 229 HZ1 LYS 28 3HZ LYS 28 -4.165 0.387 14.471 230 HZ2 LYS 28 1HZ LYS 28 -3.699 1.940 13.987 231 HZ3 LYS 28 2HZ LYS 28 -2.601 0.943 14.802 232 H TYR 29 H TYR 29 1.185 -2.009 8.524 233 HA TYR 29 HA TYR 29 2.792 0.352 8.797 234 HB2 TYR 29 2HB TYR 29 3.852 -1.859 8.783 235 HB3 TYR 29 1HB TYR 29 3.256 -2.151 7.146 236 HD1 TYR 29 1HD TYR 29 4.039 -0.417 5.342 237 HD2 TYR 29 2HD TYR 29 5.975 -1.003 9.084 238 HE1 TYR 29 1HE TYR 29 6.092 0.578 4.427 239 HE2 TYR 29 2HE TYR 29 8.035 -0.009 8.180 240 HH TYR 29 HH TYR 29 8.654 0.366 5.005 241 H PHE 30 H PHE 30 1.117 -1.245 6.108 242 HA PHE 30 HA PHE 30 1.906 0.550 4.092 243 HB2 PHE 30 2HB PHE 30 -0.325 -1.422 4.409 244 HB3 PHE 30 1HB PHE 30 -0.429 -0.242 3.100 245 HD1 PHE 30 1HD PHE 30 2.942 -1.115 3.904 246 HD2 PHE 30 2HD PHE 30 -0.485 -2.377 1.717 247 HE1 PHE 30 1HE PHE 30 4.370 -2.547 2.501 248 HE2 PHE 30 2HE PHE 30 0.941 -3.812 0.310 249 HZ PHE 30 HZ PHE 30 3.369 -3.895 0.704 250 H LYS 31 H LYS 31 -0.858 0.500 6.290 251 HA LYS 31 HA LYS 31 -2.217 2.723 5.281 252 HB2 LYS 31 2HB LYS 31 -2.940 1.009 7.077 253 HB3 LYS 31 1HB LYS 31 -2.123 2.072 8.215 254 HG2 LYS 31 2HG LYS 31 -3.663 3.855 6.897 255 HG3 LYS 31 1HG LYS 31 -4.675 2.411 6.802 256 HD2 LYS 31 2HD LYS 31 -4.474 2.148 9.248 257 HD3 LYS 31 1HD LYS 31 -3.533 3.641 9.311 258 HE2 LYS 31 2HE LYS 31 -5.642 4.581 8.013 259 HE3 LYS 31 1HE LYS 31 -6.437 3.234 8.827 260 HZ1 LYS 31 3HZ LYS 31 -5.546 4.103 10.941 261 HZ2 LYS 31 1HZ LYS 31 -6.606 5.182 10.181 262 HZ3 LYS 31 2HZ LYS 31 -4.936 5.447 10.117 263 H LEU 32 H LEU 32 0.483 2.503 7.556 264 HA LEU 32 HA LEU 32 0.460 5.177 8.411 265 HB2 LEU 32 2HB LEU 32 2.649 3.118 8.245 266 HB3 LEU 32 1HB LEU 32 2.917 4.726 8.900 267 HG LEU 32 HG LEU 32 1.965 2.414 10.232 268 HD11 LEU 32 1HD1 LEU 32 2.316 5.284 11.063 269 HD12 LEU 32 2HD1 LEU 32 3.480 3.967 11.220 270 HD13 LEU 32 3HD1 LEU 32 2.006 3.961 12.188 271 HD21 LEU 32 3HD2 LEU 32 -0.299 3.014 9.540 272 HD22 LEU 32 1HD2 LEU 32 -0.079 4.634 10.203 273 HD23 LEU 32 2HD2 LEU 32 -0.086 3.235 11.275 274 H ILE 33 H ILE 33 2.056 3.608 5.654 275 HA ILE 33 HA ILE 33 3.408 6.006 4.846 276 HB ILE 33 HB ILE 33 4.297 3.769 4.304 277 HG12 ILE 33 2HG1 ILE 33 4.186 4.443 1.603 278 HG13 ILE 33 1HG1 ILE 33 3.933 5.971 2.439 279 HG21 ILE 33 1HG2 ILE 33 3.195 2.679 2.233 280 HG22 ILE 33 2HG2 ILE 33 1.760 3.565 2.743 281 HG23 ILE 33 3HG2 ILE 33 2.506 2.395 3.829 282 HD11 ILE 33 3HD1 ILE 33 6.079 4.525 3.668 283 HD12 ILE 33 1HD1 ILE 33 6.086 6.118 2.911 284 HD13 ILE 33 2HD1 ILE 33 6.352 4.676 1.931 285 H ALA 34 H ALA 34 0.338 4.519 4.199 286 HA ALA 34 HA ALA 34 -0.284 5.904 1.810 287 HB1 ALA 34 1HB ALA 34 -1.447 3.878 3.224 288 HB2 ALA 34 2HB ALA 34 -2.183 4.718 1.857 289 HB3 ALA 34 3HB ALA 34 -2.565 5.214 3.506 290 H ASN 35 H ASN 35 -1.877 6.374 4.967 291 HA ASN 35 HA ASN 35 -2.893 8.896 4.348 292 HB2 ASN 35 2HB ASN 35 -3.058 9.142 6.909 293 HB3 ASN 35 1HB ASN 35 -3.935 7.830 6.137 294 HD21 ASN 35 1HD2 ASN 35 -0.585 8.298 7.355 295 HD22 ASN 35 2HD2 ASN 35 -0.556 6.824 8.242 296 H ALA 36 H ALA 36 0.314 8.008 5.263 297 HA ALA 36 HA ALA 36 1.038 10.608 6.269 298 HB1 ALA 36 1HB ALA 36 2.696 8.208 5.516 299 HB2 ALA 36 2HB ALA 36 2.230 8.726 7.137 300 HB3 ALA 36 3HB ALA 36 3.359 9.696 6.191 301 H LYS 37 H LYS 37 2.323 8.764 3.502 302 HA LYS 37 HA LYS 37 3.325 11.089 2.221 303 HB2 LYS 37 2HB LYS 37 4.137 9.680 0.560 304 HB3 LYS 37 1HB LYS 37 4.103 8.641 1.974 305 HG2 LYS 37 2HG LYS 37 2.875 7.174 0.860 306 HG3 LYS 37 1HG LYS 37 1.601 8.377 0.659 307 HD2 LYS 37 2HD LYS 37 2.317 7.486 -1.496 308 HD3 LYS 37 1HD LYS 37 2.701 9.203 -1.363 309 HE2 LYS 37 2HE LYS 37 4.508 7.754 -2.352 310 HE3 LYS 37 1HE LYS 37 4.995 8.755 -0.985 311 HZ1 LYS 37 3HZ LYS 37 5.854 6.490 -0.824 312 HZ2 LYS 37 1HZ LYS 37 4.276 5.878 -0.824 313 HZ3 LYS 37 2HZ LYS 37 4.809 6.845 0.459 314 H THR 38 H THR 38 0.265 9.477 2.156 315 HA THR 38 HA THR 38 -0.694 11.453 0.219 316 HB THR 38 HB THR 38 -2.301 9.486 -0.493 317 HG1 THR 38 1HG THR 38 -1.251 7.503 -0.421 318 HG21 THR 38 3HG2 THR 38 -0.547 8.724 -2.184 319 HG22 THR 38 1HG2 THR 38 0.495 9.942 -1.450 320 HG23 THR 38 2HG2 THR 38 -1.031 10.417 -2.196 321 H VAL 39 H VAL 39 -3.195 11.442 0.202 322 HA VAL 39 HA VAL 39 -4.357 10.757 2.781 323 HB VAL 39 HB VAL 39 -5.304 13.067 3.041 324 HG11 VAL 39 1HG1 VAL 39 -3.040 12.022 4.032 325 HG12 VAL 39 2HG1 VAL 39 -3.625 13.634 4.446 326 HG13 VAL 39 3HG1 VAL 39 -2.380 13.433 3.216 327 HG21 VAL 39 3HG2 VAL 39 -5.101 14.297 1.159 328 HG22 VAL 39 1HG2 VAL 39 -3.621 13.480 0.653 329 HG23 VAL 39 2HG2 VAL 39 -3.554 14.748 1.879 330 H GLU 40 H GLU 40 -4.757 9.898 0.021 331 HA GLU 40 HA GLU 40 -7.551 9.794 -0.042 332 HB2 GLU 40 2HB GLU 40 -6.718 12.252 -0.906 333 HB3 GLU 40 1HB GLU 40 -6.835 11.361 -2.424 334 HG2 GLU 40 2HG GLU 40 -9.164 10.699 -1.111 335 HG3 GLU 40 1HG GLU 40 -8.928 12.390 -0.692 336 H GLY 41 H GLY 41 -8.282 8.290 -1.508 337 HA2 GLY 41 2HA GLY 41 -7.270 7.517 -3.923 338 HA3 GLY 41 1HA GLY 41 -6.244 6.677 -2.762 339 H VAL 42 H VAL 42 -7.601 5.138 -4.453 340 HA VAL 42 HA VAL 42 -9.976 4.198 -2.998 341 HB VAL 42 HB VAL 42 -9.137 3.320 -5.759 342 HG11 VAL 42 1HG1 VAL 42 -10.715 1.802 -5.219 343 HG12 VAL 42 2HG1 VAL 42 -11.819 3.102 -5.664 344 HG13 VAL 42 3HG1 VAL 42 -11.423 2.823 -3.967 345 HG21 VAL 42 3HG2 VAL 42 -11.303 4.993 -6.095 346 HG22 VAL 42 1HG2 VAL 42 -9.625 5.380 -6.474 347 HG23 VAL 42 2HG2 VAL 42 -10.307 5.848 -4.917 348 H TRP 43 H TRP 43 -9.436 2.767 -1.540 349 HA TRP 43 HA TRP 43 -7.147 1.164 -1.546 350 HB2 TRP 43 2HB TRP 43 -9.622 1.500 0.042 351 HB3 TRP 43 1HB TRP 43 -8.788 -0.022 0.234 352 HD1 TRP 43 HD TRP 43 -8.194 3.767 0.636 353 HE1 TRP 43 1HE TRP 43 -6.374 4.144 2.398 354 HE3 TRP 43 3HE TRP 43 -6.834 -1.113 1.485 355 HZ2 TRP 43 2HZ TRP 43 -4.606 2.629 3.942 356 HZ3 TRP 43 3HZ TRP 43 -5.002 -1.545 3.183 357 HH2 TRP 43 HH TRP 43 -3.950 0.305 4.348 358 H THR 44 H THR 44 -6.758 -0.771 -2.416 359 HA THR 44 HA THR 44 -8.910 -2.625 -3.005 360 HB THR 44 HB THR 44 -7.760 -2.894 -5.375 361 HG1 THR 44 1HG THR 44 -7.367 -0.145 -4.800 362 HG21 THR 44 3HG2 THR 44 -10.158 -2.067 -4.722 363 HG22 THR 44 1HG2 THR 44 -9.533 -1.857 -6.358 364 HG23 THR 44 2HG2 THR 44 -9.515 -0.503 -5.227 365 H TYR 45 H TYR 45 -8.092 -4.781 -3.550 366 HA TYR 45 HA TYR 45 -5.243 -5.176 -3.083 367 HB2 TYR 45 2HB TYR 45 -5.614 -5.648 -0.909 368 HB3 TYR 45 1HB TYR 45 -7.344 -5.890 -1.147 369 HD1 TYR 45 1HD TYR 45 -8.118 -8.130 -2.073 370 HD2 TYR 45 2HD TYR 45 -4.164 -7.469 -0.646 371 HE1 TYR 45 1HE TYR 45 -7.806 -10.557 -1.833 372 HE2 TYR 45 2HE TYR 45 -3.839 -9.895 -0.403 373 HH TYR 45 HH TYR 45 -6.061 -12.032 -0.167 374 H LYS 46 H LYS 46 -4.399 -7.114 -3.845 375 HA LYS 46 HA LYS 46 -6.220 -8.640 -5.587 376 HB2 LYS 46 2HB LYS 46 -4.380 -7.134 -6.639 377 HB3 LYS 46 1HB LYS 46 -3.270 -8.398 -6.106 378 HG2 LYS 46 2HG LYS 46 -3.870 -9.770 -7.747 379 HG3 LYS 46 1HG LYS 46 -5.587 -9.432 -7.534 380 HD2 LYS 46 2HD LYS 46 -4.984 -8.691 -9.720 381 HD3 LYS 46 1HD LYS 46 -5.205 -7.253 -8.723 382 HE2 LYS 46 2HE LYS 46 -2.802 -7.062 -8.425 383 HE3 LYS 46 1HE LYS 46 -2.552 -8.540 -9.345 384 HZ1 LYS 46 3HZ LYS 46 -2.254 -7.060 -11.007 385 HZ2 LYS 46 1HZ LYS 46 -3.202 -5.858 -10.273 386 HZ3 LYS 46 2HZ LYS 46 -3.941 -7.134 -11.100 387 H ASP 47 H ASP 47 -6.298 -10.775 -5.338 388 HA ASP 47 HA ASP 47 -4.728 -11.977 -3.210 389 HB2 ASP 47 2HB ASP 47 -7.249 -12.287 -3.525 390 HB3 ASP 47 1HB ASP 47 -6.840 -13.346 -4.874 391 H GLU 48 H GLU 48 -2.977 -13.100 -3.529 392 HA GLU 48 HA GLU 48 -2.339 -15.170 -5.061 393 HB2 GLU 48 2HB GLU 48 -2.534 -12.841 -6.849 394 HB3 GLU 48 1HB GLU 48 -0.992 -13.673 -6.966 395 HG2 GLU 48 2HG GLU 48 -3.740 -14.772 -7.473 396 HG3 GLU 48 1HG GLU 48 -2.398 -14.605 -8.601 397 H ILE 49 H ILE 49 -0.935 -11.891 -4.663 398 HA ILE 49 HA ILE 49 1.350 -13.165 -3.326 399 HB ILE 49 HB ILE 49 2.819 -11.411 -4.251 400 HG12 ILE 49 2HG1 ILE 49 1.511 -10.492 -6.501 401 HG13 ILE 49 1HG1 ILE 49 0.259 -10.423 -5.274 402 HG21 ILE 49 1HG2 ILE 49 3.085 -13.352 -5.440 403 HG22 ILE 49 2HG2 ILE 49 2.581 -12.253 -6.721 404 HG23 ILE 49 3HG2 ILE 49 1.413 -13.362 -6.003 405 HD11 ILE 49 3HD1 ILE 49 1.574 -8.332 -5.558 406 HD12 ILE 49 1HD1 ILE 49 2.985 -9.203 -4.958 407 HD13 ILE 49 2HD1 ILE 49 1.579 -8.982 -3.917 408 H LYS 50 H LYS 50 -1.257 -11.625 -2.615 409 HA LYS 50 HA LYS 50 -1.961 -10.168 -1.022 410 HB2 LYS 50 2HB LYS 50 0.826 -10.348 0.118 411 HB3 LYS 50 1HB LYS 50 -0.668 -9.995 0.976 412 HG2 LYS 50 2HG LYS 50 -0.558 -12.589 -0.422 413 HG3 LYS 50 1HG LYS 50 0.509 -12.400 0.971 414 HD2 LYS 50 2HD LYS 50 -1.201 -12.392 2.437 415 HD3 LYS 50 1HD LYS 50 -2.238 -11.435 1.375 416 HE2 LYS 50 2HE LYS 50 -2.961 -13.319 0.195 417 HE3 LYS 50 1HE LYS 50 -1.628 -14.311 0.783 418 HZ1 LYS 50 3HZ LYS 50 -2.703 -14.780 2.687 419 HZ2 LYS 50 1HZ LYS 50 -4.086 -14.407 1.787 420 HZ3 LYS 50 2HZ LYS 50 -3.410 -13.249 2.816 421 H THR 51 H THR 51 -2.124 -8.461 -2.599 422 HA THR 51 HA THR 51 -0.223 -6.306 -2.029 423 HB THR 51 HB THR 51 0.611 -7.128 -4.091 424 HG1 THR 51 1HG THR 51 0.172 -4.815 -3.959 425 HG21 THR 51 3HG2 THR 51 -1.364 -8.474 -4.739 426 HG22 THR 51 1HG2 THR 51 -0.675 -7.531 -6.059 427 HG23 THR 51 2HG2 THR 51 -2.152 -6.986 -5.264 428 H PHE 52 H PHE 52 -1.067 -4.307 -1.885 429 HA PHE 52 HA PHE 52 -3.943 -4.014 -2.449 430 HB2 PHE 52 2HB PHE 52 -2.539 -2.402 -0.340 431 HB3 PHE 52 1HB PHE 52 -4.255 -2.760 -0.497 432 HD1 PHE 52 2HD PHE 52 -0.986 -4.402 0.175 433 HD2 PHE 52 1HD PHE 52 -5.198 -4.448 0.772 434 HE1 PHE 52 2HE PHE 52 -0.735 -6.259 1.766 435 HE2 PHE 52 1HE PHE 52 -4.956 -6.305 2.366 436 HZ PHE 52 HZ PHE 52 -2.722 -7.216 2.865 437 H THR 53 H THR 53 -4.623 -1.745 -2.907 438 HA THR 53 HA THR 53 -2.482 -0.008 -3.835 439 HB THR 53 HB THR 53 -4.651 -1.071 -5.658 440 HG1 THR 53 1HG THR 53 -1.963 -1.599 -5.329 441 HG21 THR 53 3HG2 THR 53 -4.075 1.398 -5.994 442 HG22 THR 53 1HG2 THR 53 -3.975 0.323 -7.387 443 HG23 THR 53 2HG2 THR 53 -2.503 0.819 -6.553 444 H VAL 54 H VAL 54 -3.076 2.152 -4.125 445 HA VAL 54 HA VAL 54 -5.810 2.902 -3.378 446 HB VAL 54 HB VAL 54 -3.990 3.002 -1.441 447 HG11 VAL 54 1HG1 VAL 54 -2.929 5.112 -1.165 448 HG12 VAL 54 2HG1 VAL 54 -3.711 5.765 -2.603 449 HG13 VAL 54 3HG1 VAL 54 -2.482 4.512 -2.761 450 HG21 VAL 54 3HG2 VAL 54 -5.915 3.684 -0.565 451 HG22 VAL 54 1HG2 VAL 54 -6.413 4.472 -2.060 452 HG23 VAL 54 2HG2 VAL 54 -5.378 5.325 -0.917 453 H THR 55 H THR 55 -6.451 3.775 -5.247 454 HA THR 55 HA THR 55 -4.649 5.634 -6.631 455 HB THR 55 HB THR 55 -7.206 4.813 -7.888 456 HG1 THR 55 1HG THR 55 -5.052 3.034 -7.431 457 HG21 THR 55 3HG2 THR 55 -4.393 4.871 -8.948 458 HG22 THR 55 1HG2 THR 55 -5.564 6.182 -9.094 459 HG23 THR 55 2HG2 THR 55 -5.871 4.634 -9.879 460 H GLU 56 H GLU 56 -5.002 7.748 -6.579 461 HA GLU 56 HA GLU 56 -7.524 8.724 -5.455 462 HB2 GLU 56 2HB GLU 56 -5.478 9.506 -4.375 463 HB3 GLU 56 1HB GLU 56 -4.889 10.129 -5.906 464 HG2 GLU 56 2HG GLU 56 -7.485 11.094 -4.793 465 HG3 GLU 56 1HG GLU 56 -5.961 11.733 -4.180 Start of MODEL 8 1 H1 THR 1 1HT THR 1 3.143 -13.901 4.578 2 H2 THR 1 2HT THR 1 2.926 -13.214 3.020 3 H3 THR 1 3HT THR 1 3.283 -12.206 4.364 4 HA THR 1 HA THR 1 5.382 -13.527 4.587 5 HB THR 1 HB THR 1 5.931 -14.245 2.055 6 HG1 THR 1 1HG THR 1 4.105 -14.154 0.999 7 HG21 THR 1 1HG2 THR 1 5.045 -15.700 4.405 8 HG22 THR 1 2HG2 THR 1 6.344 -16.057 3.268 9 HG23 THR 1 3HG2 THR 1 4.689 -16.538 2.895 10 H THR 2 H THR 2 4.359 -12.205 1.431 11 HA THR 2 HA THR 2 6.031 -9.847 1.956 12 HB THR 2 HB THR 2 5.945 -10.913 -0.822 13 HG1 THR 2 1HG THR 2 6.520 -12.766 0.221 14 HG21 THR 2 3HG2 THR 2 7.485 -9.363 -1.107 15 HG22 THR 2 1HG2 THR 2 8.543 -10.233 0.004 16 HG23 THR 2 2HG2 THR 2 7.461 -8.981 0.615 17 H TYR 3 H TYR 3 4.544 -8.284 2.118 18 HA TYR 3 HA TYR 3 2.342 -8.216 0.177 19 HB2 TYR 3 2HB TYR 3 2.729 -6.878 2.857 20 HB3 TYR 3 1HB TYR 3 1.415 -6.452 1.757 21 HD1 TYR 3 1HD TYR 3 2.873 -9.282 3.674 22 HD2 TYR 3 2HD TYR 3 -0.563 -7.715 1.715 23 HE1 TYR 3 1HE TYR 3 1.518 -11.117 4.594 24 HE2 TYR 3 2HE TYR 3 -1.928 -9.544 2.632 25 HH TYR 3 HH TYR 3 -0.806 -11.616 5.101 26 H LYS 4 H LYS 4 1.873 -6.331 -1.001 27 HA LYS 4 HA LYS 4 3.922 -4.226 -0.982 28 HB2 LYS 4 2HB LYS 4 2.979 -5.780 -3.394 29 HB3 LYS 4 1HB LYS 4 3.832 -4.246 -3.513 30 HG2 LYS 4 2HG LYS 4 5.665 -5.514 -3.626 31 HG3 LYS 4 1HG LYS 4 5.484 -5.658 -1.877 32 HD2 LYS 4 2HD LYS 4 5.337 -7.862 -2.152 33 HD3 LYS 4 1HD LYS 4 3.787 -7.601 -2.951 34 HE2 LYS 4 2HE LYS 4 4.774 -7.602 -5.090 35 HE3 LYS 4 1HE LYS 4 6.398 -7.430 -4.428 36 HZ1 LYS 4 3HZ LYS 4 6.532 -9.624 -3.939 37 HZ2 LYS 4 1HZ LYS 4 5.452 -9.741 -5.236 38 HZ3 LYS 4 2HZ LYS 4 4.875 -9.796 -3.648 39 H LEU 5 H LEU 5 3.253 -2.210 -1.742 40 HA LEU 5 HA LEU 5 0.355 -1.917 -2.110 41 HB2 LEU 5 2HB LEU 5 0.587 -1.123 0.034 42 HB3 LEU 5 1HB LEU 5 2.220 -0.526 -0.256 43 HG LEU 5 HG LEU 5 1.369 1.414 -1.408 44 HD11 LEU 5 1HD1 LEU 5 -0.643 1.572 -2.359 45 HD12 LEU 5 2HD1 LEU 5 -1.469 0.980 -0.917 46 HD13 LEU 5 3HD1 LEU 5 -0.784 -0.161 -2.071 47 HD21 LEU 5 3HD2 LEU 5 -0.415 2.094 0.504 48 HD22 LEU 5 1HD2 LEU 5 1.335 2.118 0.729 49 HD23 LEU 5 2HD2 LEU 5 0.394 0.733 1.282 50 H ILE 6 H ILE 6 -0.239 -0.825 -3.868 51 HA ILE 6 HA ILE 6 1.829 0.626 -5.363 52 HB ILE 6 HB ILE 6 -0.820 -0.392 -6.366 53 HG12 ILE 6 2HG1 ILE 6 0.635 -2.246 -5.754 54 HG13 ILE 6 1HG1 ILE 6 0.501 -2.128 -7.508 55 HG21 ILE 6 1HG2 ILE 6 1.348 1.206 -7.558 56 HG22 ILE 6 2HG2 ILE 6 -0.376 1.175 -7.928 57 HG23 ILE 6 3HG2 ILE 6 0.683 -0.085 -8.562 58 HD11 ILE 6 3HD1 ILE 6 2.700 -0.556 -6.716 59 HD12 ILE 6 1HD1 ILE 6 2.696 -2.050 -7.653 60 HD13 ILE 6 2HD1 ILE 6 2.827 -2.111 -5.895 61 H LEU 7 H LEU 7 1.819 2.743 -5.064 62 HA LEU 7 HA LEU 7 -0.701 4.100 -4.440 63 HB2 LEU 7 2HB LEU 7 2.025 5.361 -4.378 64 HB3 LEU 7 1HB LEU 7 0.570 5.855 -3.522 65 HG LEU 7 HG LEU 7 1.507 3.171 -2.798 66 HD11 LEU 7 1HD1 LEU 7 3.305 4.228 -1.306 67 HD12 LEU 7 2HD1 LEU 7 3.272 5.568 -2.451 68 HD13 LEU 7 3HD1 LEU 7 3.695 3.948 -3.004 69 HD21 LEU 7 3HD2 LEU 7 0.397 5.602 -1.508 70 HD22 LEU 7 1HD2 LEU 7 1.337 4.495 -0.508 71 HD23 LEU 7 2HD2 LEU 7 -0.093 3.915 -1.360 72 H ASN 8 H ASN 8 -1.671 5.447 -5.822 73 HA ASN 8 HA ASN 8 -0.172 6.321 -8.201 74 HB2 ASN 8 2HB ASN 8 -2.104 4.441 -8.355 75 HB3 ASN 8 1HB ASN 8 -3.090 5.894 -8.508 76 HD21 ASN 8 1HD2 ASN 8 -1.268 7.510 -9.864 77 HD22 ASN 8 2HD2 ASN 8 -1.041 6.869 -11.451 78 H LEU 9 H LEU 9 0.159 8.414 -7.714 79 HA LEU 9 HA LEU 9 -2.184 10.026 -6.941 80 HB2 LEU 9 2HB LEU 9 0.740 10.649 -6.495 81 HB3 LEU 9 1HB LEU 9 -0.622 11.627 -5.966 82 HG LEU 9 HG LEU 9 -0.786 8.887 -4.970 83 HD11 LEU 9 1HD1 LEU 9 1.129 8.672 -3.795 84 HD12 LEU 9 2HD1 LEU 9 1.334 10.411 -3.585 85 HD13 LEU 9 3HD1 LEU 9 1.782 9.641 -5.108 86 HD21 LEU 9 3HD2 LEU 9 -1.850 11.269 -4.306 87 HD22 LEU 9 1HD2 LEU 9 -0.513 11.201 -3.160 88 HD23 LEU 9 2HD2 LEU 9 -1.719 9.915 -3.193 89 H LYS 10 H LYS 10 -2.301 12.203 -7.814 90 HA LYS 10 HA LYS 10 -2.088 12.305 -10.581 91 HB2 LYS 10 2HB LYS 10 -3.316 13.836 -8.751 92 HB3 LYS 10 1HB LYS 10 -1.944 14.879 -9.105 93 HG2 LYS 10 2HG LYS 10 -3.226 13.823 -11.498 94 HG3 LYS 10 1HG LYS 10 -4.304 14.797 -10.497 95 HD2 LYS 10 2HD LYS 10 -3.321 16.673 -11.163 96 HD3 LYS 10 1HD LYS 10 -1.731 16.063 -10.701 97 HE2 LYS 10 2HE LYS 10 -1.198 15.495 -12.811 98 HE3 LYS 10 1HE LYS 10 -2.819 14.907 -13.169 99 HZ1 LYS 10 3HZ LYS 10 -3.328 17.480 -13.069 100 HZ2 LYS 10 1HZ LYS 10 -2.787 16.729 -14.488 101 HZ3 LYS 10 2HZ LYS 10 -1.698 17.579 -13.512 102 H GLN 11 H GLN 11 0.157 13.458 -8.108 103 HA GLN 11 HA GLN 11 1.910 14.821 -9.849 104 HB2 GLN 11 2HB GLN 11 1.722 14.359 -7.089 105 HB3 GLN 11 1HB GLN 11 3.276 13.661 -7.563 106 HG2 GLN 11 2HG GLN 11 2.994 16.207 -8.837 107 HG3 GLN 11 1HG GLN 11 2.605 16.398 -7.126 108 HE21 GLN 11 1HE2 GLN 11 5.063 15.762 -9.447 109 HE22 GLN 11 2HE2 GLN 11 6.401 15.758 -8.356 110 H ALA 12 H ALA 12 2.380 11.659 -8.247 111 HA ALA 12 HA ALA 12 3.438 10.504 -10.664 112 HB1 ALA 12 1HB ALA 12 5.657 10.271 -10.114 113 HB2 ALA 12 2HB ALA 12 5.364 10.464 -8.387 114 HB3 ALA 12 3HB ALA 12 5.311 11.870 -9.453 115 H LYS 13 H LYS 13 4.610 8.278 -9.860 116 HA LYS 13 HA LYS 13 2.631 7.011 -8.089 117 HB2 LYS 13 2HB LYS 13 2.472 6.227 -10.396 118 HB3 LYS 13 1HB LYS 13 4.182 5.822 -10.397 119 HG2 LYS 13 2HG LYS 13 3.584 4.274 -8.430 120 HG3 LYS 13 1HG LYS 13 1.923 4.469 -8.989 121 HD2 LYS 13 2HD LYS 13 4.163 3.619 -10.809 122 HD3 LYS 13 1HD LYS 13 3.189 2.466 -9.895 123 HE2 LYS 13 2HE LYS 13 1.325 2.830 -11.157 124 HE3 LYS 13 1HE LYS 13 1.754 4.505 -11.501 125 HZ1 LYS 13 3HZ LYS 13 3.633 3.436 -12.879 126 HZ2 LYS 13 1HZ LYS 13 2.067 3.476 -13.519 127 HZ3 LYS 13 2HZ LYS 13 2.666 2.048 -12.842 128 H GLU 14 H GLU 14 3.315 5.728 -6.436 129 HA GLU 14 HA GLU 14 6.220 5.366 -6.118 130 HB2 GLU 14 2HB GLU 14 4.350 6.791 -4.401 131 HB3 GLU 14 1HB GLU 14 5.194 5.510 -3.531 132 HG2 GLU 14 2HG GLU 14 6.637 7.235 -3.207 133 HG3 GLU 14 1HG GLU 14 7.302 6.557 -4.692 134 H GLU 15 H GLU 15 6.896 3.446 -5.184 135 HA GLU 15 HA GLU 15 4.799 1.399 -4.914 136 HB2 GLU 15 2HB GLU 15 7.679 1.216 -5.772 137 HB3 GLU 15 1HB GLU 15 6.755 -0.204 -5.295 138 HG2 GLU 15 2HG GLU 15 5.054 0.585 -7.059 139 HG3 GLU 15 1HG GLU 15 6.374 1.588 -7.659 140 H ALA 16 H ALA 16 4.427 0.594 -2.977 141 HA ALA 16 HA ALA 16 6.481 0.913 -0.891 142 HB1 ALA 16 1HB ALA 16 3.487 0.918 -0.785 143 HB2 ALA 16 2HB ALA 16 4.630 2.090 -0.127 144 HB3 ALA 16 3HB ALA 16 4.437 0.517 0.646 145 H ILE 17 H ILE 17 7.282 -0.866 0.095 146 HA ILE 17 HA ILE 17 5.886 -3.416 -0.260 147 HB ILE 17 HB ILE 17 7.898 -4.582 -0.928 148 HG12 ILE 17 2HG1 ILE 17 9.506 -3.081 0.250 149 HG13 ILE 17 1HG1 ILE 17 9.978 -3.452 -1.405 150 HG21 ILE 17 1HG2 ILE 17 6.498 -3.709 -2.699 151 HG22 ILE 17 2HG2 ILE 17 8.194 -3.624 -3.180 152 HG23 ILE 17 3HG2 ILE 17 7.352 -2.166 -2.653 153 HD11 ILE 17 3HD1 ILE 17 10.270 -1.270 -1.657 154 HD12 ILE 17 1HD1 ILE 17 9.417 -0.903 -0.161 155 HD13 ILE 17 2HD1 ILE 17 8.520 -1.133 -1.662 156 H LYS 18 H LYS 18 6.595 -5.101 1.173 157 HA LYS 18 HA LYS 18 8.403 -4.603 3.306 158 HB2 LYS 18 2HB LYS 18 6.832 -3.161 4.269 159 HB3 LYS 18 1HB LYS 18 5.467 -4.140 3.737 160 HG2 LYS 18 2HG LYS 18 5.514 -5.417 5.580 161 HG3 LYS 18 1HG LYS 18 7.276 -5.495 5.607 162 HD2 LYS 18 2HD LYS 18 6.156 -2.855 6.234 163 HD3 LYS 18 1HD LYS 18 5.753 -4.120 7.397 164 HE2 LYS 18 2HE LYS 18 7.743 -3.292 8.236 165 HE3 LYS 18 1HE LYS 18 8.281 -4.678 7.291 166 HZ1 LYS 18 3HZ LYS 18 8.686 -1.834 6.814 167 HZ2 LYS 18 1HZ LYS 18 8.411 -2.793 5.445 168 HZ3 LYS 18 2HZ LYS 18 9.695 -3.142 6.478 169 H GLU 19 H GLU 19 8.830 -6.462 4.479 170 HA GLU 19 HA GLU 19 7.407 -8.870 3.565 171 HB2 GLU 19 2HB GLU 19 9.523 -10.064 4.287 172 HB3 GLU 19 1HB GLU 19 9.657 -9.024 2.874 173 HG2 GLU 19 2HG GLU 19 10.644 -7.270 4.262 174 HG3 GLU 19 1HG GLU 19 10.500 -8.312 5.676 175 H ALA 20 H ALA 20 6.049 -9.671 5.011 176 HA ALA 20 HA ALA 20 6.888 -9.832 7.813 177 HB1 ALA 20 1HB ALA 20 5.548 -7.963 8.034 178 HB2 ALA 20 2HB ALA 20 4.411 -9.270 8.366 179 HB3 ALA 20 3HB ALA 20 4.423 -8.493 6.783 180 H VAL 21 H VAL 21 5.591 -11.381 9.070 181 HA VAL 21 HA VAL 21 4.927 -13.690 7.419 182 HB VAL 21 HB VAL 21 4.841 -14.911 9.602 183 HG11 VAL 21 1HG1 VAL 21 6.850 -15.095 8.397 184 HG12 VAL 21 2HG1 VAL 21 7.336 -14.659 10.034 185 HG13 VAL 21 3HG1 VAL 21 7.320 -13.436 8.763 186 HG21 VAL 21 3HG2 VAL 21 4.506 -12.491 10.742 187 HG22 VAL 21 1HG2 VAL 21 6.239 -12.712 10.979 188 HG23 VAL 21 2HG2 VAL 21 5.104 -13.907 11.607 189 H ASP 22 H ASP 22 3.113 -11.267 7.860 190 HA ASP 22 HA ASP 22 0.685 -12.761 8.073 191 HB2 ASP 22 2HB ASP 22 1.737 -11.603 10.458 192 HB3 ASP 22 1HB ASP 22 0.308 -10.686 9.998 193 H ALA 23 H ALA 23 -1.096 -10.687 8.573 194 HA ALA 23 HA ALA 23 -0.513 -8.856 6.337 195 HB1 ALA 23 1HB ALA 23 -2.287 -10.263 5.666 196 HB2 ALA 23 2HB ALA 23 -3.021 -8.721 6.106 197 HB3 ALA 23 3HB ALA 23 -3.111 -10.087 7.216 198 H GLY 24 H GLY 24 -1.963 -9.153 9.547 199 HA2 GLY 24 2HA GLY 24 -2.989 -6.630 9.935 200 HA3 GLY 24 1HA GLY 24 -2.225 -7.575 11.204 201 H THR 25 H THR 25 0.359 -7.605 9.830 202 HA THR 25 HA THR 25 1.343 -5.084 10.829 203 HB THR 25 HB THR 25 2.885 -7.284 9.443 204 HG1 THR 25 1HG THR 25 1.701 -7.986 11.330 205 HG21 THR 25 3HG2 THR 25 4.525 -6.266 11.338 206 HG22 THR 25 1HG2 THR 25 3.659 -4.820 10.821 207 HG23 THR 25 2HG2 THR 25 4.537 -5.792 9.639 208 H ALA 26 H ALA 26 0.621 -6.538 7.750 209 HA ALA 26 HA ALA 26 2.121 -4.652 6.190 210 HB1 ALA 26 1HB ALA 26 -0.128 -6.071 4.916 211 HB2 ALA 26 2HB ALA 26 1.111 -7.091 5.645 212 HB3 ALA 26 3HB ALA 26 1.552 -5.916 4.406 213 H GLU 27 H GLU 27 -1.243 -5.031 7.190 214 HA GLU 27 HA GLU 27 -2.261 -2.848 5.687 215 HB2 GLU 27 2HB GLU 27 -3.702 -4.637 6.556 216 HB3 GLU 27 1HB GLU 27 -3.341 -4.137 8.203 217 HG2 GLU 27 2HG GLU 27 -4.478 -2.060 7.895 218 HG3 GLU 27 1HG GLU 27 -4.679 -2.368 6.171 219 H LYS 28 H LYS 28 -1.666 -3.149 9.196 220 HA LYS 28 HA LYS 28 -2.060 -0.482 9.862 221 HB2 LYS 28 2HB LYS 28 -0.740 -2.803 11.100 222 HB3 LYS 28 1HB LYS 28 -0.143 -1.245 11.654 223 HG2 LYS 28 2HG LYS 28 -3.045 -2.041 11.646 224 HG3 LYS 28 1HG LYS 28 -1.972 -2.184 13.039 225 HD2 LYS 28 2HD LYS 28 -2.567 0.392 11.584 226 HD3 LYS 28 1HD LYS 28 -3.362 -0.128 13.072 227 HE2 LYS 28 2HE LYS 28 -1.068 -0.259 14.111 228 HE3 LYS 28 1HE LYS 28 -0.455 0.543 12.667 229 HZ1 LYS 28 3HZ LYS 28 -0.824 2.284 14.112 230 HZ2 LYS 28 1HZ LYS 28 -2.235 1.609 14.758 231 HZ3 LYS 28 2HZ LYS 28 -2.252 2.284 13.208 232 H TYR 29 H TYR 29 0.838 -2.083 8.643 233 HA TYR 29 HA TYR 29 2.564 0.155 9.036 234 HB2 TYR 29 2HB TYR 29 3.559 -2.034 8.879 235 HB3 TYR 29 1HB TYR 29 2.815 -2.314 7.302 236 HD1 TYR 29 2HD TYR 29 3.593 -0.894 5.346 237 HD2 TYR 29 1HD TYR 29 5.669 -1.026 9.057 238 HE1 TYR 29 2HE TYR 29 5.606 -0.011 4.244 239 HE2 TYR 29 1HE TYR 29 7.689 -0.144 7.965 240 HH TYR 29 HH TYR 29 7.647 1.147 4.791 241 H PHE 30 H PHE 30 0.995 -1.217 6.143 242 HA PHE 30 HA PHE 30 1.843 0.760 4.351 243 HB2 PHE 30 2HB PHE 30 -0.418 -1.209 4.367 244 HB3 PHE 30 1HB PHE 30 -0.369 0.038 3.119 245 HD1 PHE 30 2HD PHE 30 2.697 0.108 2.886 246 HD2 PHE 30 1HD PHE 30 -0.120 -3.095 2.910 247 HE1 PHE 30 2HE PHE 30 4.249 -1.268 1.564 248 HE2 PHE 30 1HE PHE 30 1.434 -4.466 1.588 249 HZ PHE 30 HZ PHE 30 3.616 -3.555 0.914 250 H LYS 31 H LYS 31 -1.029 0.524 6.398 251 HA LYS 31 HA LYS 31 -2.370 2.795 5.483 252 HB2 LYS 31 2HB LYS 31 -3.048 0.928 7.207 253 HB3 LYS 31 1HB LYS 31 -2.424 2.077 8.384 254 HG2 LYS 31 2HG LYS 31 -4.523 2.776 6.350 255 HG3 LYS 31 1HG LYS 31 -4.894 2.180 7.970 256 HD2 LYS 31 2HD LYS 31 -3.055 4.238 8.367 257 HD3 LYS 31 1HD LYS 31 -4.135 4.835 7.105 258 HE2 LYS 31 2HE LYS 31 -5.319 5.488 8.937 259 HE3 LYS 31 1HE LYS 31 -5.980 3.866 8.737 260 HZ1 LYS 31 3HZ LYS 31 -5.146 4.637 11.046 261 HZ2 LYS 31 1HZ LYS 31 -3.612 4.268 10.436 262 HZ3 LYS 31 2HZ LYS 31 -4.800 3.067 10.522 263 H LEU 32 H LEU 32 0.321 2.467 7.730 264 HA LEU 32 HA LEU 32 0.201 5.096 8.777 265 HB2 LEU 32 2HB LEU 32 2.403 3.048 8.639 266 HB3 LEU 32 1HB LEU 32 2.610 4.614 9.407 267 HG LEU 32 HG LEU 32 1.557 2.214 10.511 268 HD11 LEU 32 1HD1 LEU 32 1.934 5.006 11.556 269 HD12 LEU 32 2HD1 LEU 32 3.044 3.641 11.695 270 HD13 LEU 32 3HD1 LEU 32 1.513 3.626 12.571 271 HD21 LEU 32 3HD2 LEU 32 -0.653 2.904 9.754 272 HD22 LEU 32 1HD2 LEU 32 -0.433 4.482 10.508 273 HD23 LEU 32 2HD2 LEU 32 -0.527 3.033 11.506 274 H ILE 33 H ILE 33 1.942 3.658 6.034 275 HA ILE 33 HA ILE 33 3.359 6.082 5.444 276 HB ILE 33 HB ILE 33 4.286 3.903 4.804 277 HG12 ILE 33 2HG1 ILE 33 4.393 4.595 2.175 278 HG13 ILE 33 1HG1 ILE 33 3.836 6.104 2.889 279 HG21 ILE 33 1HG2 ILE 33 2.372 2.629 4.261 280 HG22 ILE 33 2HG2 ILE 33 3.316 2.766 2.780 281 HG23 ILE 33 3HG2 ILE 33 1.881 3.765 3.004 282 HD11 ILE 33 3HD1 ILE 33 5.938 5.180 4.506 283 HD12 ILE 33 1HD1 ILE 33 5.926 6.572 3.422 284 HD13 ILE 33 2HD1 ILE 33 6.459 4.997 2.831 285 H ALA 34 H ALA 34 0.415 4.518 4.313 286 HA ALA 34 HA ALA 34 -0.124 6.098 2.079 287 HB1 ALA 34 1HB ALA 34 -1.897 4.635 4.007 288 HB2 ALA 34 2HB ALA 34 -1.483 4.215 2.345 289 HB3 ALA 34 3HB ALA 34 -2.567 5.569 2.669 290 H ASN 35 H ASN 35 -1.863 6.456 5.166 291 HA ASN 35 HA ASN 35 -2.821 9.006 4.729 292 HB2 ASN 35 2HB ASN 35 -2.575 7.215 6.985 293 HB3 ASN 35 1HB ASN 35 -2.295 8.879 7.488 294 HD21 ASN 35 1HD2 ASN 35 -4.392 7.818 4.859 295 HD22 ASN 35 2HD2 ASN 35 -5.866 8.349 5.586 296 H ALA 36 H ALA 36 0.380 8.004 5.640 297 HA ALA 36 HA ALA 36 1.173 10.714 6.353 298 HB1 ALA 36 1HB ALA 36 1.947 8.734 7.659 299 HB2 ALA 36 2HB ALA 36 3.242 9.776 7.071 300 HB3 ALA 36 3HB ALA 36 2.900 8.251 6.255 301 H LYS 37 H LYS 37 0.646 9.355 3.471 302 HA LYS 37 HA LYS 37 2.706 10.987 2.225 303 HB2 LYS 37 2HB LYS 37 3.722 9.334 0.953 304 HB3 LYS 37 1HB LYS 37 3.521 8.567 2.519 305 HG2 LYS 37 2HG LYS 37 2.530 6.874 1.495 306 HG3 LYS 37 1HG LYS 37 1.198 7.953 1.080 307 HD2 LYS 37 2HD LYS 37 2.086 6.833 -0.904 308 HD3 LYS 37 1HD LYS 37 2.339 8.578 -0.988 309 HE2 LYS 37 2HE LYS 37 4.286 7.083 -1.676 310 HE3 LYS 37 1HE LYS 37 4.630 8.378 -0.531 311 HZ1 LYS 37 3HZ LYS 37 4.029 5.611 0.337 312 HZ2 LYS 37 1HZ LYS 37 4.719 6.863 1.244 313 HZ3 LYS 37 2HZ LYS 37 5.602 6.134 -0.001 314 H THR 38 H THR 38 -0.392 10.686 2.422 315 HA THR 38 HA THR 38 -1.009 11.909 0.027 316 HB THR 38 HB THR 38 -0.755 10.148 -1.387 317 HG1 THR 38 1HG THR 38 -2.786 9.125 -1.707 318 HG21 THR 38 3HG2 THR 38 -0.026 8.280 -0.441 319 HG22 THR 38 1HG2 THR 38 -1.721 7.798 -0.425 320 HG23 THR 38 2HG2 THR 38 -0.998 8.521 1.007 321 H VAL 39 H VAL 39 -2.820 9.216 1.462 322 HA VAL 39 HA VAL 39 -4.660 9.195 2.835 323 HB VAL 39 HB VAL 39 -4.751 12.202 2.848 324 HG11 VAL 39 1HG1 VAL 39 -5.472 11.374 5.314 325 HG12 VAL 39 2HG1 VAL 39 -6.005 10.000 4.346 326 HG13 VAL 39 3HG1 VAL 39 -6.605 11.620 3.985 327 HG21 VAL 39 3HG2 VAL 39 -2.886 12.382 4.041 328 HG22 VAL 39 1HG2 VAL 39 -2.559 10.678 3.731 329 HG23 VAL 39 2HG2 VAL 39 -3.445 11.156 5.178 330 H GLU 40 H GLU 40 -4.703 9.249 -0.052 331 HA GLU 40 HA GLU 40 -7.505 9.676 -0.427 332 HB2 GLU 40 2HB GLU 40 -6.014 11.928 -0.820 333 HB3 GLU 40 1HB GLU 40 -6.053 11.239 -2.443 334 HG2 GLU 40 2HG GLU 40 -7.861 12.824 -2.109 335 HG3 GLU 40 1HG GLU 40 -8.481 11.199 -2.388 336 H GLY 41 H GLY 41 -8.224 8.201 -1.827 337 HA2 GLY 41 2HA GLY 41 -7.416 7.531 -4.314 338 HA3 GLY 41 1HA GLY 41 -6.280 6.631 -3.310 339 H VAL 42 H VAL 42 -7.588 5.029 -4.810 340 HA VAL 42 HA VAL 42 -9.963 4.090 -3.359 341 HB VAL 42 HB VAL 42 -9.040 3.097 -6.054 342 HG11 VAL 42 1HG1 VAL 42 -10.770 1.920 -4.466 343 HG12 VAL 42 2HG1 VAL 42 -11.051 2.013 -6.205 344 HG13 VAL 42 3HG1 VAL 42 -11.865 3.138 -5.117 345 HG21 VAL 42 3HG2 VAL 42 -9.477 5.184 -6.785 346 HG22 VAL 42 1HG2 VAL 42 -10.406 5.606 -5.348 347 HG23 VAL 42 2HG2 VAL 42 -11.159 4.672 -6.641 348 H TRP 43 H TRP 43 -9.422 2.736 -1.823 349 HA TRP 43 HA TRP 43 -7.090 1.178 -1.748 350 HB2 TRP 43 2HB TRP 43 -9.522 1.628 -0.140 351 HB3 TRP 43 1HB TRP 43 -8.738 0.088 0.111 352 HD1 TRP 43 HD TRP 43 -8.033 3.868 0.370 353 HE1 TRP 43 1HE TRP 43 -6.157 4.253 2.072 354 HE3 TRP 43 3HE TRP 43 -6.762 -1.014 1.324 355 HZ2 TRP 43 2HZ TRP 43 -4.380 2.742 3.609 356 HZ3 TRP 43 3HZ TRP 43 -4.895 -1.440 2.983 357 HH2 TRP 43 HH TRP 43 -3.768 0.414 4.067 358 H THR 44 H THR 44 -6.691 -0.808 -2.485 359 HA THR 44 HA THR 44 -8.828 -2.716 -2.940 360 HB THR 44 HB THR 44 -7.594 -3.095 -5.295 361 HG1 THR 44 1HG THR 44 -6.300 -1.157 -4.840 362 HG21 THR 44 3HG2 THR 44 -9.814 -1.134 -4.784 363 HG22 THR 44 1HG2 THR 44 -9.961 -2.844 -5.190 364 HG23 THR 44 2HG2 THR 44 -9.338 -1.705 -6.384 365 H TYR 45 H TYR 45 -8.078 -4.875 -3.017 366 HA TYR 45 HA TYR 45 -5.196 -5.287 -2.791 367 HB2 TYR 45 2HB TYR 45 -5.530 -5.175 -0.510 368 HB3 TYR 45 1HB TYR 45 -7.170 -5.817 -0.599 369 HD1 TYR 45 1HD TYR 45 -7.548 -8.228 -0.678 370 HD2 TYR 45 2HD TYR 45 -3.612 -6.638 -0.395 371 HE1 TYR 45 1HE TYR 45 -6.709 -10.443 -0.023 372 HE2 TYR 45 2HE TYR 45 -2.761 -8.850 0.261 373 HH TYR 45 HH TYR 45 -4.749 -11.704 0.126 374 H LYS 46 H LYS 46 -4.474 -7.205 -3.530 375 HA LYS 46 HA LYS 46 -6.490 -9.118 -4.501 376 HB2 LYS 46 2HB LYS 46 -4.983 -9.619 -6.377 377 HB3 LYS 46 1HB LYS 46 -5.466 -7.922 -6.369 378 HG2 LYS 46 2HG LYS 46 -3.138 -7.919 -4.899 379 HG3 LYS 46 1HG LYS 46 -2.824 -9.120 -6.154 380 HD2 LYS 46 2HD LYS 46 -3.931 -6.384 -6.752 381 HD3 LYS 46 1HD LYS 46 -2.201 -6.726 -6.709 382 HE2 LYS 46 2HE LYS 46 -2.442 -8.362 -8.467 383 HE3 LYS 46 1HE LYS 46 -4.193 -8.159 -8.461 384 HZ1 LYS 46 3HZ LYS 46 -3.349 -6.902 -10.253 385 HZ2 LYS 46 1HZ LYS 46 -2.151 -6.183 -9.306 386 HZ3 LYS 46 2HZ LYS 46 -3.775 -5.784 -9.066 387 H ASP 47 H ASP 47 -6.374 -11.002 -3.485 388 HA ASP 47 HA ASP 47 -4.205 -11.692 -1.782 389 HB2 ASP 47 2HB ASP 47 -6.641 -12.352 -1.491 390 HB3 ASP 47 1HB ASP 47 -6.368 -13.564 -2.744 391 H GLU 48 H GLU 48 -4.778 -12.159 -5.115 392 HA GLU 48 HA GLU 48 -3.517 -14.594 -5.617 393 HB2 GLU 48 2HB GLU 48 -3.228 -12.174 -7.418 394 HB3 GLU 48 1HB GLU 48 -3.155 -13.866 -7.882 395 HG2 GLU 48 2HG GLU 48 -5.229 -13.246 -8.631 396 HG3 GLU 48 1HG GLU 48 -5.631 -13.942 -7.071 397 H ILE 49 H ILE 49 -2.124 -11.505 -4.785 398 HA ILE 49 HA ILE 49 0.476 -12.805 -4.554 399 HB ILE 49 HB ILE 49 1.624 -10.874 -5.620 400 HG12 ILE 49 2HG1 ILE 49 -0.702 -10.080 -7.204 401 HG13 ILE 49 1HG1 ILE 49 -0.869 -9.675 -5.498 402 HG21 ILE 49 1HG2 ILE 49 1.350 -12.939 -6.831 403 HG22 ILE 49 2HG2 ILE 49 1.163 -11.575 -7.931 404 HG23 ILE 49 3HG2 ILE 49 -0.258 -12.449 -7.361 405 HD11 ILE 49 3HD1 ILE 49 1.653 -8.826 -5.986 406 HD12 ILE 49 1HD1 ILE 49 0.214 -7.811 -6.086 407 HD13 ILE 49 2HD1 ILE 49 0.883 -8.538 -7.544 408 H LYS 50 H LYS 50 -1.725 -11.483 -2.847 409 HA LYS 50 HA LYS 50 -1.904 -10.097 -1.038 410 HB2 LYS 50 2HB LYS 50 1.004 -10.844 -0.695 411 HB3 LYS 50 1HB LYS 50 -0.091 -10.293 0.567 412 HG2 LYS 50 2HG LYS 50 -1.072 -12.633 -0.868 413 HG3 LYS 50 1HG LYS 50 0.467 -12.902 -0.049 414 HD2 LYS 50 2HD LYS 50 -0.426 -12.501 2.045 415 HD3 LYS 50 1HD LYS 50 -1.762 -11.540 1.403 416 HE2 LYS 50 2HE LYS 50 -3.059 -13.348 1.047 417 HE3 LYS 50 1HE LYS 50 -1.703 -14.346 0.525 418 HZ1 LYS 50 3HZ LYS 50 -2.114 -13.616 3.363 419 HZ2 LYS 50 1HZ LYS 50 -1.142 -14.846 2.728 420 HZ3 LYS 50 2HZ LYS 50 -2.826 -14.988 2.678 421 H THR 51 H THR 51 -2.144 -8.199 -2.418 422 HA THR 51 HA THR 51 -0.173 -6.200 -1.747 423 HB THR 51 HB THR 51 -0.767 -6.858 -4.637 424 HG1 THR 51 1HG THR 51 0.815 -8.193 -4.042 425 HG21 THR 51 3HG2 THR 51 0.384 -5.023 -5.347 426 HG22 THR 51 1HG2 THR 51 1.279 -4.859 -3.837 427 HG23 THR 51 2HG2 THR 51 -0.412 -4.366 -3.919 428 H PHE 52 H PHE 52 -1.022 -4.234 -1.512 429 HA PHE 52 HA PHE 52 -3.844 -3.887 -2.248 430 HB2 PHE 52 2HB PHE 52 -2.502 -2.115 -0.247 431 HB3 PHE 52 1HB PHE 52 -4.187 -2.609 -0.344 432 HD1 PHE 52 2HD PHE 52 -0.794 -3.973 0.364 433 HD2 PHE 52 1HD PHE 52 -4.979 -4.235 1.090 434 HE1 PHE 52 2HE PHE 52 -0.386 -5.682 2.085 435 HE2 PHE 52 1HE PHE 52 -4.576 -5.944 2.813 436 HZ PHE 52 HZ PHE 52 -2.277 -6.670 3.312 437 H THR 53 H THR 53 -4.509 -1.676 -2.865 438 HA THR 53 HA THR 53 -2.361 0.035 -3.820 439 HB THR 53 HB THR 53 -4.468 -1.135 -5.653 440 HG1 THR 53 1HG THR 53 -2.955 -2.461 -6.162 441 HG21 THR 53 3HG2 THR 53 -3.907 1.308 -6.106 442 HG22 THR 53 1HG2 THR 53 -3.709 0.166 -7.433 443 HG23 THR 53 2HG2 THR 53 -2.296 0.735 -6.547 444 H VAL 54 H VAL 54 -2.986 2.176 -4.246 445 HA VAL 54 HA VAL 54 -5.750 2.898 -3.582 446 HB VAL 54 HB VAL 54 -3.900 3.140 -1.652 447 HG11 VAL 54 1HG1 VAL 54 -3.828 5.862 -2.945 448 HG12 VAL 54 2HG1 VAL 54 -2.505 4.697 -3.011 449 HG13 VAL 54 3HG1 VAL 54 -3.022 5.356 -1.459 450 HG21 VAL 54 3HG2 VAL 54 -6.178 3.533 -1.222 451 HG22 VAL 54 1HG2 VAL 54 -6.216 4.945 -2.277 452 HG23 VAL 54 2HG2 VAL 54 -5.342 5.012 -0.749 453 H THR 55 H THR 55 -6.391 3.677 -5.484 454 HA THR 55 HA THR 55 -4.606 5.456 -6.980 455 HB THR 55 HB THR 55 -6.441 5.164 -8.770 456 HG1 THR 55 1HG THR 55 -7.063 2.906 -7.182 457 HG21 THR 55 3HG2 THR 55 -4.182 3.951 -8.641 458 HG22 THR 55 1HG2 THR 55 -5.448 3.280 -9.669 459 HG23 THR 55 2HG2 THR 55 -5.127 2.570 -8.086 460 H GLU 56 H GLU 56 -4.890 7.577 -6.954 461 HA GLU 56 HA GLU 56 -7.417 8.650 -5.914 462 HB2 GLU 56 2HB GLU 56 -5.420 9.335 -4.692 463 HB3 GLU 56 1HB GLU 56 -4.696 9.939 -6.175 464 HG2 GLU 56 2HG GLU 56 -7.330 11.049 -5.424 465 HG3 GLU 56 1HG GLU 56 -5.953 11.498 -4.419 Start of MODEL 9 1 H1 THR 1 1HT THR 1 3.412 -14.303 4.252 2 H2 THR 1 2HT THR 1 3.227 -13.160 2.985 3 H3 THR 1 3HT THR 1 3.419 -12.626 4.605 4 HA THR 1 HA THR 1 5.612 -13.505 4.675 5 HB THR 1 HB THR 1 6.499 -14.198 2.318 6 HG1 THR 1 1HG THR 1 4.904 -15.159 1.038 7 HG21 THR 1 1HG2 THR 1 6.627 -16.190 3.254 8 HG22 THR 1 2HG2 THR 1 4.912 -16.462 2.943 9 HG23 THR 1 3HG2 THR 1 5.425 -15.706 4.452 10 H THR 2 H THR 2 4.638 -12.285 1.465 11 HA THR 2 HA THR 2 6.055 -9.779 2.086 12 HB THR 2 HB THR 2 7.494 -10.915 0.582 13 HG1 THR 2 1HG THR 2 7.125 -8.774 -0.046 14 HG21 THR 2 3HG2 THR 2 4.998 -11.759 -0.775 15 HG22 THR 2 1HG2 THR 2 6.466 -12.673 -0.423 16 HG23 THR 2 2HG2 THR 2 6.444 -11.517 -1.756 17 H TYR 3 H TYR 3 4.978 -7.941 1.661 18 HA TYR 3 HA TYR 3 2.519 -8.118 0.051 19 HB2 TYR 3 2HB TYR 3 2.849 -6.443 2.549 20 HB3 TYR 3 1HB TYR 3 1.380 -6.637 1.589 21 HD1 TYR 3 1HD TYR 3 3.761 -8.466 3.776 22 HD2 TYR 3 2HD TYR 3 -0.116 -8.400 2.023 23 HE1 TYR 3 1HE TYR 3 3.097 -10.368 5.186 24 HE2 TYR 3 2HE TYR 3 -0.791 -10.300 3.431 25 HH TYR 3 HH TYR 3 1.008 -12.333 4.760 26 H LYS 4 H LYS 4 2.007 -6.338 -1.215 27 HA LYS 4 HA LYS 4 3.982 -4.156 -1.279 28 HB2 LYS 4 2HB LYS 4 2.785 -5.392 -3.758 29 HB3 LYS 4 1HB LYS 4 4.086 -4.210 -3.668 30 HG2 LYS 4 2HG LYS 4 5.650 -5.774 -3.333 31 HG3 LYS 4 1HG LYS 4 4.629 -6.705 -2.237 32 HD2 LYS 4 2HD LYS 4 3.622 -7.880 -3.971 33 HD3 LYS 4 1HD LYS 4 4.056 -6.665 -5.175 34 HE2 LYS 4 2HE LYS 4 6.055 -8.405 -3.741 35 HE3 LYS 4 1HE LYS 4 5.362 -8.797 -5.314 36 HZ1 LYS 4 3HZ LYS 4 6.216 -6.487 -5.976 37 HZ2 LYS 4 1HZ LYS 4 7.338 -7.745 -5.838 38 HZ3 LYS 4 2HZ LYS 4 7.196 -6.600 -4.602 39 H LEU 5 H LEU 5 3.230 -2.152 -2.017 40 HA LEU 5 HA LEU 5 0.318 -1.916 -2.275 41 HB2 LEU 5 2HB LEU 5 0.545 -1.250 -0.086 42 HB3 LEU 5 1HB LEU 5 2.152 -0.579 -0.349 43 HG LEU 5 HG LEU 5 1.213 1.388 -1.400 44 HD11 LEU 5 1HD1 LEU 5 -1.593 0.832 -0.853 45 HD12 LEU 5 2HD1 LEU 5 -0.902 -0.231 -2.080 46 HD13 LEU 5 3HD1 LEU 5 -0.830 1.520 -2.287 47 HD21 LEU 5 3HD2 LEU 5 -0.542 1.901 0.595 48 HD22 LEU 5 1HD2 LEU 5 1.212 1.991 0.767 49 HD23 LEU 5 2HD2 LEU 5 0.349 0.541 1.278 50 H ILE 6 H ILE 6 -0.330 -0.709 -3.938 51 HA ILE 6 HA ILE 6 1.693 0.848 -5.383 52 HB ILE 6 HB ILE 6 -0.997 -0.053 -6.380 53 HG12 ILE 6 2HG1 ILE 6 0.478 -1.961 -5.887 54 HG13 ILE 6 1HG1 ILE 6 0.193 -1.780 -7.617 55 HG21 ILE 6 1HG2 ILE 6 1.139 0.570 -8.280 56 HG22 ILE 6 2HG2 ILE 6 0.550 1.949 -7.353 57 HG23 ILE 6 3HG2 ILE 6 -0.574 0.991 -8.316 58 HD11 ILE 6 3HD1 ILE 6 2.475 -0.275 -7.032 59 HD12 ILE 6 1HD1 ILE 6 2.374 -1.791 -7.924 60 HD13 ILE 6 2HD1 ILE 6 2.656 -1.810 -6.183 61 H LEU 7 H LEU 7 1.721 2.903 -4.745 62 HA LEU 7 HA LEU 7 -0.781 4.235 -4.033 63 HB2 LEU 7 2HB LEU 7 2.087 5.147 -3.770 64 HB3 LEU 7 1HB LEU 7 0.682 6.049 -3.213 65 HG LEU 7 HG LEU 7 1.067 3.281 -2.179 66 HD11 LEU 7 1HD1 LEU 7 2.719 3.817 -0.657 67 HD12 LEU 7 2HD1 LEU 7 2.469 5.553 -0.837 68 HD13 LEU 7 3HD1 LEU 7 3.276 4.641 -2.113 69 HD21 LEU 7 3HD2 LEU 7 -0.809 4.110 -1.225 70 HD22 LEU 7 1HD2 LEU 7 -0.294 5.787 -1.404 71 HD23 LEU 7 2HD2 LEU 7 0.355 4.800 -0.095 72 H ASN 8 H ASN 8 -1.844 5.313 -5.541 73 HA ASN 8 HA ASN 8 -0.315 6.520 -7.754 74 HB2 ASN 8 2HB ASN 8 -2.038 4.664 -8.240 75 HB3 ASN 8 1HB ASN 8 -3.257 5.892 -7.870 76 HD21 ASN 8 1HD2 ASN 8 -3.573 5.065 -10.338 77 HD22 ASN 8 2HD2 ASN 8 -2.852 6.122 -11.494 78 H LEU 9 H LEU 9 0.033 8.574 -7.118 79 HA LEU 9 HA LEU 9 -2.211 10.098 -6.007 80 HB2 LEU 9 2HB LEU 9 0.766 10.544 -6.030 81 HB3 LEU 9 1HB LEU 9 -0.362 11.821 -5.596 82 HG LEU 9 HG LEU 9 -1.138 9.667 -4.012 83 HD11 LEU 9 1HD1 LEU 9 1.790 9.652 -4.503 84 HD12 LEU 9 2HD1 LEU 9 0.692 8.320 -4.150 85 HD13 LEU 9 3HD1 LEU 9 1.219 9.391 -2.854 86 HD21 LEU 9 3HD2 LEU 9 0.282 12.243 -3.618 87 HD22 LEU 9 1HD2 LEU 9 0.230 11.110 -2.268 88 HD23 LEU 9 2HD2 LEU 9 -1.270 11.699 -2.987 89 H LYS 10 H LYS 10 -2.269 12.449 -6.700 90 HA LYS 10 HA LYS 10 -2.901 12.635 -9.403 91 HB2 LYS 10 2HB LYS 10 -2.853 15.121 -9.017 92 HB3 LYS 10 1HB LYS 10 -3.847 14.201 -7.888 93 HG2 LYS 10 2HG LYS 10 -1.447 14.274 -6.596 94 HG3 LYS 10 1HG LYS 10 -1.469 15.839 -7.412 95 HD2 LYS 10 2HD LYS 10 -4.007 15.133 -6.136 96 HD3 LYS 10 1HD LYS 10 -2.660 15.276 -5.004 97 HE2 LYS 10 2HE LYS 10 -2.860 17.405 -7.039 98 HE3 LYS 10 1HE LYS 10 -4.168 17.351 -5.856 99 HZ1 LYS 10 3HZ LYS 10 -2.248 18.767 -5.216 100 HZ2 LYS 10 1HZ LYS 10 -1.294 17.371 -5.122 101 HZ3 LYS 10 2HZ LYS 10 -2.617 17.565 -4.087 102 H GLN 11 H GLN 11 0.191 12.854 -7.884 103 HA GLN 11 HA GLN 11 1.394 13.398 -10.481 104 HB2 GLN 11 2HB GLN 11 1.183 15.411 -8.643 105 HB3 GLN 11 1HB GLN 11 2.772 14.743 -8.250 106 HG2 GLN 11 2HG GLN 11 2.585 14.999 -11.089 107 HG3 GLN 11 1HG GLN 11 2.040 16.511 -10.365 108 HE21 GLN 11 1HE2 GLN 11 4.702 14.388 -10.908 109 HE22 GLN 11 2HE2 GLN 11 5.936 15.428 -10.286 110 H ALA 12 H ALA 12 2.679 11.750 -10.877 111 HA ALA 12 HA ALA 12 4.360 10.218 -10.664 112 HB1 ALA 12 1HB ALA 12 6.011 10.448 -8.997 113 HB2 ALA 12 2HB ALA 12 4.903 11.272 -7.902 114 HB3 ALA 12 3HB ALA 12 5.473 12.079 -9.361 115 H LYS 13 H LYS 13 4.771 8.159 -9.705 116 HA LYS 13 HA LYS 13 2.727 7.297 -7.781 117 HB2 LYS 13 2HB LYS 13 2.093 6.517 -9.996 118 HB3 LYS 13 1HB LYS 13 3.692 5.832 -10.244 119 HG2 LYS 13 2HG LYS 13 3.206 4.370 -8.224 120 HG3 LYS 13 1HG LYS 13 1.530 4.894 -8.393 121 HD2 LYS 13 2HD LYS 13 3.111 3.652 -10.636 122 HD3 LYS 13 1HD LYS 13 2.108 2.718 -9.524 123 HE2 LYS 13 2HE LYS 13 0.444 4.767 -10.348 124 HE3 LYS 13 1HE LYS 13 1.344 4.349 -11.806 125 HZ1 LYS 13 3HZ LYS 13 0.165 2.208 -10.173 126 HZ2 LYS 13 1HZ LYS 13 0.494 2.233 -11.832 127 HZ3 LYS 13 2HZ LYS 13 -0.827 3.092 -11.219 128 H GLU 14 H GLU 14 3.405 5.988 -6.153 129 HA GLU 14 HA GLU 14 6.212 5.093 -6.220 130 HB2 GLU 14 2HB GLU 14 5.269 7.078 -4.592 131 HB3 GLU 14 1HB GLU 14 5.090 5.658 -3.558 132 HG2 GLU 14 2HG GLU 14 7.641 5.519 -4.777 133 HG3 GLU 14 1HG GLU 14 7.431 7.155 -4.156 134 H GLU 15 H GLU 15 6.672 3.288 -4.708 135 HA GLU 15 HA GLU 15 4.315 1.585 -4.257 136 HB2 GLU 15 2HB GLU 15 6.972 0.734 -5.420 137 HB3 GLU 15 1HB GLU 15 5.702 -0.376 -4.920 138 HG2 GLU 15 2HG GLU 15 4.199 0.593 -6.583 139 HG3 GLU 15 1HG GLU 15 5.470 1.710 -7.080 140 H ALA 16 H ALA 16 4.230 0.556 -2.351 141 HA ALA 16 HA ALA 16 6.591 0.738 -0.594 142 HB1 ALA 16 1HB ALA 16 4.612 2.172 0.037 143 HB2 ALA 16 2HB ALA 16 5.182 1.059 1.282 144 HB3 ALA 16 3HB ALA 16 3.734 0.675 0.350 145 H ILE 17 H ILE 17 7.329 -1.122 0.273 146 HA ILE 17 HA ILE 17 5.583 -3.468 0.295 147 HB ILE 17 HB ILE 17 7.199 -4.899 -0.769 148 HG12 ILE 17 2HG1 ILE 17 9.236 -3.724 0.031 149 HG13 ILE 17 1HG1 ILE 17 9.297 -4.084 -1.691 150 HG21 ILE 17 1HG2 ILE 17 6.615 -2.390 -2.335 151 HG22 ILE 17 2HG2 ILE 17 5.673 -3.881 -2.287 152 HG23 ILE 17 3HG2 ILE 17 7.260 -3.867 -3.054 153 HD11 ILE 17 3HD1 ILE 17 8.262 -1.608 -1.769 154 HD12 ILE 17 1HD1 ILE 17 9.991 -1.954 -1.814 155 HD13 ILE 17 2HD1 ILE 17 9.222 -1.499 -0.294 156 H LYS 18 H LYS 18 6.340 -5.211 1.616 157 HA LYS 18 HA LYS 18 8.622 -4.963 3.288 158 HB2 LYS 18 2HB LYS 18 7.503 -3.287 4.487 159 HB3 LYS 18 1HB LYS 18 5.942 -4.092 4.330 160 HG2 LYS 18 2HG LYS 18 6.246 -5.285 6.197 161 HG3 LYS 18 1HG LYS 18 7.925 -5.653 5.804 162 HD2 LYS 18 2HD LYS 18 7.195 -2.888 6.662 163 HD3 LYS 18 1HD LYS 18 7.342 -4.161 7.877 164 HE2 LYS 18 2HE LYS 18 9.598 -4.454 7.486 165 HE3 LYS 18 1HE LYS 18 9.506 -3.787 5.856 166 HZ1 LYS 18 3HZ LYS 18 10.009 -2.458 8.337 167 HZ2 LYS 18 1HZ LYS 18 8.766 -1.715 7.469 168 HZ3 LYS 18 2HZ LYS 18 10.284 -1.924 6.755 169 H GLU 19 H GLU 19 9.023 -6.849 4.431 170 HA GLU 19 HA GLU 19 7.255 -9.084 3.765 171 HB2 GLU 19 2HB GLU 19 9.139 -10.524 4.292 172 HB3 GLU 19 1HB GLU 19 9.638 -9.272 3.161 173 HG2 GLU 19 2HG GLU 19 10.315 -8.032 5.392 174 HG3 GLU 19 1HG GLU 19 10.394 -9.686 5.994 175 H ALA 20 H ALA 20 5.846 -9.749 5.232 176 HA ALA 20 HA ALA 20 6.633 -9.798 8.054 177 HB1 ALA 20 1HB ALA 20 4.246 -8.395 6.913 178 HB2 ALA 20 2HB ALA 20 5.418 -7.819 8.099 179 HB3 ALA 20 3HB ALA 20 4.221 -9.029 8.558 180 H VAL 21 H VAL 21 5.626 -11.395 9.294 181 HA VAL 21 HA VAL 21 4.973 -13.775 7.975 182 HB VAL 21 HB VAL 21 4.099 -13.162 10.789 183 HG11 VAL 21 1HG1 VAL 21 3.716 -15.384 9.315 184 HG12 VAL 21 2HG1 VAL 21 3.898 -15.389 11.069 185 HG13 VAL 21 3HG1 VAL 21 5.282 -15.752 10.038 186 HG21 VAL 21 3HG2 VAL 21 6.310 -12.458 10.897 187 HG22 VAL 21 1HG2 VAL 21 6.850 -13.648 9.711 188 HG23 VAL 21 2HG2 VAL 21 6.420 -14.160 11.343 189 H ASP 22 H ASP 22 2.899 -11.206 9.219 190 HA ASP 22 HA ASP 22 0.593 -12.626 8.061 191 HB2 ASP 22 2HB ASP 22 -0.829 -11.603 9.756 192 HB3 ASP 22 1HB ASP 22 0.474 -12.496 10.531 193 H ALA 23 H ALA 23 -1.271 -10.587 8.167 194 HA ALA 23 HA ALA 23 -0.117 -8.652 6.272 195 HB1 ALA 23 1HB ALA 23 -2.155 -8.559 5.148 196 HB2 ALA 23 2HB ALA 23 -3.044 -9.247 6.506 197 HB3 ALA 23 3HB ALA 23 -1.972 -10.267 5.548 198 H GLY 24 H GLY 24 -2.012 -9.007 9.196 199 HA2 GLY 24 2HA GLY 24 -3.157 -6.531 9.513 200 HA3 GLY 24 1HA GLY 24 -2.491 -7.468 10.844 201 H THR 25 H THR 25 0.214 -7.416 10.054 202 HA THR 25 HA THR 25 0.950 -4.821 11.029 203 HB THR 25 HB THR 25 2.949 -6.756 9.929 204 HG1 THR 25 1HG THR 25 1.498 -7.102 12.340 205 HG21 THR 25 3HG2 THR 25 3.075 -5.449 12.602 206 HG22 THR 25 1HG2 THR 25 3.449 -4.522 11.150 207 HG23 THR 25 2HG2 THR 25 4.381 -5.967 11.537 208 H ALA 26 H ALA 26 0.745 -6.395 7.939 209 HA ALA 26 HA ALA 26 2.414 -4.506 6.556 210 HB1 ALA 26 1HB ALA 26 0.788 -6.865 5.822 211 HB2 ALA 26 2HB ALA 26 2.427 -6.422 5.344 212 HB3 ALA 26 3HB ALA 26 1.043 -5.656 4.564 213 H GLU 27 H GLU 27 -1.026 -4.946 7.139 214 HA GLU 27 HA GLU 27 -1.931 -2.946 5.343 215 HB2 GLU 27 2HB GLU 27 -3.379 -4.734 6.265 216 HB3 GLU 27 1HB GLU 27 -3.270 -3.979 7.849 217 HG2 GLU 27 2HG GLU 27 -4.501 -2.101 7.156 218 HG3 GLU 27 1HG GLU 27 -4.328 -2.521 5.451 219 H LYS 28 H LYS 28 -1.731 -2.898 8.910 220 HA LYS 28 HA LYS 28 -2.245 -0.177 9.233 221 HB2 LYS 28 2HB LYS 28 -0.944 -2.281 10.890 222 HB3 LYS 28 1HB LYS 28 -0.719 -0.607 11.377 223 HG2 LYS 28 2HG LYS 28 -3.366 -0.592 11.018 224 HG3 LYS 28 1HG LYS 28 -3.140 -2.293 11.435 225 HD2 LYS 28 2HD LYS 28 -1.958 -1.624 13.477 226 HD3 LYS 28 1HD LYS 28 -2.203 0.072 13.059 227 HE2 LYS 28 2HE LYS 28 -4.280 0.061 13.871 228 HE3 LYS 28 1HE LYS 28 -4.687 -1.418 13.003 229 HZ1 LYS 28 3HZ LYS 28 -4.207 -2.704 14.782 230 HZ2 LYS 28 1HZ LYS 28 -4.591 -1.293 15.632 231 HZ3 LYS 28 2HZ LYS 28 -2.973 -1.692 15.345 232 H TYR 29 H TYR 29 0.844 -1.860 8.761 233 HA TYR 29 HA TYR 29 2.478 0.430 9.091 234 HB2 TYR 29 2HB TYR 29 3.504 -1.743 9.256 235 HB3 TYR 29 1HB TYR 29 2.961 -2.183 7.633 236 HD1 TYR 29 1HD TYR 29 4.036 -1.094 5.652 237 HD2 TYR 29 2HD TYR 29 5.504 -0.524 9.606 238 HE1 TYR 29 1HE TYR 29 6.166 -0.279 4.738 239 HE2 TYR 29 2HE TYR 29 7.639 0.294 8.700 240 HH TYR 29 HH TYR 29 8.953 0.068 6.593 241 H PHE 30 H PHE 30 0.974 -1.082 6.268 242 HA PHE 30 HA PHE 30 2.091 0.664 4.336 243 HB2 PHE 30 2HB PHE 30 -0.199 -1.260 4.397 244 HB3 PHE 30 1HB PHE 30 -0.157 -0.067 3.100 245 HD1 PHE 30 1HD PHE 30 3.167 -0.780 3.964 246 HD2 PHE 30 2HD PHE 30 -0.187 -2.436 1.929 247 HE1 PHE 30 1HE PHE 30 4.672 -2.241 2.680 248 HE2 PHE 30 2HE PHE 30 1.319 -3.901 0.641 249 HZ PHE 30 HZ PHE 30 3.748 -3.803 1.018 250 H LYS 31 H LYS 31 -0.878 0.673 6.228 251 HA LYS 31 HA LYS 31 -2.107 2.912 5.100 252 HB2 LYS 31 2HB LYS 31 -2.744 1.135 7.065 253 HB3 LYS 31 1HB LYS 31 -2.432 2.579 8.014 254 HG2 LYS 31 2HG LYS 31 -4.337 2.457 5.687 255 HG3 LYS 31 1HG LYS 31 -4.807 2.274 7.378 256 HD2 LYS 31 2HD LYS 31 -4.799 4.479 7.696 257 HD3 LYS 31 1HD LYS 31 -3.189 4.638 6.995 258 HE2 LYS 31 2HE LYS 31 -4.012 5.419 5.076 259 HE3 LYS 31 1HE LYS 31 -5.188 4.109 4.968 260 HZ1 LYS 31 3HZ LYS 31 -5.554 6.501 6.684 261 HZ2 LYS 31 1HZ LYS 31 -6.705 5.319 6.312 262 HZ3 LYS 31 2HZ LYS 31 -6.162 6.379 5.111 263 H LEU 32 H LEU 32 0.310 2.654 7.677 264 HA LEU 32 HA LEU 32 0.270 5.349 8.481 265 HB2 LEU 32 2HB LEU 32 2.398 3.223 8.648 266 HB3 LEU 32 1HB LEU 32 2.590 4.823 9.346 267 HG LEU 32 HG LEU 32 1.386 2.521 10.495 268 HD11 LEU 32 1HD1 LEU 32 1.768 5.363 11.380 269 HD12 LEU 32 2HD1 LEU 32 2.778 3.963 11.741 270 HD13 LEU 32 3HD1 LEU 32 1.164 4.091 12.444 271 HD21 LEU 32 3HD2 LEU 32 -0.756 3.459 11.261 272 HD22 LEU 32 1HD2 LEU 32 -0.737 3.170 9.522 273 HD23 LEU 32 2HD2 LEU 32 -0.550 4.808 10.145 274 H ILE 33 H ILE 33 2.116 3.658 5.974 275 HA ILE 33 HA ILE 33 3.683 5.991 5.341 276 HB ILE 33 HB ILE 33 4.605 3.735 5.011 277 HG12 ILE 33 2HG1 ILE 33 5.346 4.090 2.584 278 HG13 ILE 33 1HG1 ILE 33 4.301 5.508 2.591 279 HG21 ILE 33 1HG2 ILE 33 3.822 2.446 2.998 280 HG22 ILE 33 2HG2 ILE 33 2.406 3.497 2.977 281 HG23 ILE 33 3HG2 ILE 33 2.719 2.466 4.374 282 HD11 ILE 33 3HD1 ILE 33 6.524 5.076 4.565 283 HD12 ILE 33 1HD1 ILE 33 5.600 6.551 4.283 284 HD13 ILE 33 2HD1 ILE 33 6.711 5.957 3.050 285 H ALA 34 H ALA 34 0.783 4.432 4.140 286 HA ALA 34 HA ALA 34 0.586 5.901 1.716 287 HB1 ALA 34 1HB ALA 34 -1.293 4.706 1.345 288 HB2 ALA 34 2HB ALA 34 -1.914 4.974 2.973 289 HB3 ALA 34 3HB ALA 34 -0.692 3.736 2.688 290 H ASN 35 H ASN 35 -1.362 6.161 4.695 291 HA ASN 35 HA ASN 35 -2.619 8.559 4.073 292 HB2 ASN 35 2HB ASN 35 -2.620 6.800 6.225 293 HB3 ASN 35 1HB ASN 35 -2.039 8.309 6.920 294 HD21 ASN 35 1HD2 ASN 35 -4.353 7.826 4.272 295 HD22 ASN 35 2HD2 ASN 35 -5.677 8.594 5.071 296 H ALA 36 H ALA 36 0.541 7.979 5.508 297 HA ALA 36 HA ALA 36 1.017 10.673 6.284 298 HB1 ALA 36 1HB ALA 36 3.327 9.968 6.606 299 HB2 ALA 36 2HB ALA 36 2.994 8.458 5.759 300 HB3 ALA 36 3HB ALA 36 2.206 8.796 7.299 301 H LYS 37 H LYS 37 1.280 8.969 3.283 302 HA LYS 37 HA LYS 37 2.742 11.238 2.108 303 HB2 LYS 37 2HB LYS 37 2.448 8.426 1.044 304 HB3 LYS 37 1HB LYS 37 3.372 9.718 0.291 305 HG2 LYS 37 2HG LYS 37 4.237 9.412 2.992 306 HG3 LYS 37 1HG LYS 37 4.236 7.837 2.200 307 HD2 LYS 37 2HD LYS 37 6.388 8.891 1.890 308 HD3 LYS 37 1HD LYS 37 5.546 8.809 0.342 309 HE2 LYS 37 2HE LYS 37 6.658 10.979 0.716 310 HE3 LYS 37 1HE LYS 37 4.913 11.129 0.518 311 HZ1 LYS 37 3HZ LYS 37 6.268 12.275 2.490 312 HZ2 LYS 37 1HZ LYS 37 5.859 10.829 3.247 313 HZ3 LYS 37 2HZ LYS 37 4.645 11.825 2.627 314 H THR 38 H THR 38 -0.335 10.107 2.438 315 HA THR 38 HA THR 38 -1.320 11.763 0.326 316 HB THR 38 HB THR 38 -2.077 8.860 0.095 317 HG1 THR 38 1HG THR 38 -0.000 8.701 -0.431 318 HG21 THR 38 3HG2 THR 38 -2.258 9.801 -2.377 319 HG22 THR 38 1HG2 THR 38 -2.537 11.299 -1.497 320 HG23 THR 38 2HG2 THR 38 -3.583 9.914 -1.219 321 H VAL 39 H VAL 39 -3.774 11.632 0.219 322 HA VAL 39 HA VAL 39 -5.031 10.611 2.635 323 HB VAL 39 HB VAL 39 -5.323 13.524 1.938 324 HG11 VAL 39 1HG1 VAL 39 -6.853 13.644 3.570 325 HG12 VAL 39 2HG1 VAL 39 -5.927 12.604 4.643 326 HG13 VAL 39 3HG1 VAL 39 -6.957 11.899 3.398 327 HG21 VAL 39 3HG2 VAL 39 -3.998 13.867 4.081 328 HG22 VAL 39 1HG2 VAL 39 -3.087 13.360 2.658 329 HG23 VAL 39 2HG2 VAL 39 -3.496 12.191 3.913 330 H GLU 40 H GLU 40 -5.288 9.870 -0.089 331 HA GLU 40 HA GLU 40 -8.078 9.814 -0.367 332 HB2 GLU 40 2HB GLU 40 -7.279 12.254 -1.083 333 HB3 GLU 40 1HB GLU 40 -6.970 11.421 -2.608 334 HG2 GLU 40 2HG GLU 40 -9.152 11.208 -3.083 335 HG3 GLU 40 1HG GLU 40 -9.593 10.893 -1.405 336 H GLY 41 H GLY 41 -8.568 8.068 -1.550 337 HA2 GLY 41 2HA GLY 41 -7.521 7.311 -3.992 338 HA3 GLY 41 1HA GLY 41 -6.484 6.555 -2.786 339 H VAL 42 H VAL 42 -7.814 4.939 -4.492 340 HA VAL 42 HA VAL 42 -10.129 3.950 -2.977 341 HB VAL 42 HB VAL 42 -10.552 2.509 -5.005 342 HG11 VAL 42 1HG1 VAL 42 -11.549 4.339 -6.313 343 HG12 VAL 42 2HG1 VAL 42 -10.621 5.501 -5.364 344 HG13 VAL 42 3HG1 VAL 42 -11.850 4.508 -4.583 345 HG21 VAL 42 3HG2 VAL 42 -8.148 2.872 -5.855 346 HG22 VAL 42 1HG2 VAL 42 -8.764 4.392 -6.502 347 HG23 VAL 42 2HG2 VAL 42 -9.459 2.861 -7.031 348 H TRP 43 H TRP 43 -9.596 2.529 -1.530 349 HA TRP 43 HA TRP 43 -7.237 1.008 -1.518 350 HB2 TRP 43 2HB TRP 43 -9.696 1.316 0.106 351 HB3 TRP 43 1HB TRP 43 -8.802 -0.166 0.331 352 HD1 TRP 43 HD TRP 43 -8.535 3.620 0.898 353 HE1 TRP 43 1HE TRP 43 -6.600 4.090 2.511 354 HE3 TRP 43 3HE TRP 43 -6.517 -1.087 1.158 355 HZ2 TRP 43 2HZ TRP 43 -4.502 2.696 3.733 356 HZ3 TRP 43 3HZ TRP 43 -4.477 -1.419 2.627 357 HH2 TRP 43 HH TRP 43 -3.534 0.448 3.856 358 H THR 44 H THR 44 -6.821 -0.917 -2.393 359 HA THR 44 HA THR 44 -8.930 -2.853 -2.848 360 HB THR 44 HB THR 44 -8.364 -3.174 -5.219 361 HG1 THR 44 1HG THR 44 -6.287 -2.387 -5.303 362 HG21 THR 44 3HG2 THR 44 -10.189 -1.595 -4.614 363 HG22 THR 44 1HG2 THR 44 -9.424 -1.270 -6.169 364 HG23 THR 44 2HG2 THR 44 -9.026 -0.278 -4.767 365 H TYR 45 H TYR 45 -8.058 -4.988 -3.421 366 HA TYR 45 HA TYR 45 -5.185 -5.283 -3.049 367 HB2 TYR 45 2HB TYR 45 -5.557 -5.665 -0.836 368 HB3 TYR 45 1HB TYR 45 -7.230 -6.168 -1.082 369 HD1 TYR 45 1HD TYR 45 -7.631 -8.521 -2.004 370 HD2 TYR 45 2HD TYR 45 -3.867 -7.235 -0.494 371 HE1 TYR 45 1HE TYR 45 -6.956 -10.866 -1.704 372 HE2 TYR 45 2HE TYR 45 -3.182 -9.575 -0.192 373 HH TYR 45 HH TYR 45 -5.157 -12.241 -1.341 374 H LYS 46 H LYS 46 -4.298 -7.150 -3.890 375 HA LYS 46 HA LYS 46 -6.124 -8.716 -5.590 376 HB2 LYS 46 2HB LYS 46 -4.323 -7.224 -6.670 377 HB3 LYS 46 1HB LYS 46 -3.167 -8.419 -6.083 378 HG2 LYS 46 2HG LYS 46 -3.528 -9.258 -8.154 379 HG3 LYS 46 1HG LYS 46 -4.838 -10.076 -7.298 380 HD2 LYS 46 2HD LYS 46 -5.679 -9.138 -9.360 381 HD3 LYS 46 1HD LYS 46 -6.371 -8.267 -7.998 382 HE2 LYS 46 2HE LYS 46 -5.670 -6.383 -8.951 383 HE3 LYS 46 1HE LYS 46 -4.020 -6.898 -8.600 384 HZ1 LYS 46 3HZ LYS 46 -5.482 -6.908 -11.113 385 HZ2 LYS 46 1HZ LYS 46 -4.483 -8.246 -10.838 386 HZ3 LYS 46 2HZ LYS 46 -3.832 -6.688 -10.828 387 H ASP 47 H ASP 47 -6.204 -10.851 -5.362 388 HA ASP 47 HA ASP 47 -4.630 -12.076 -3.247 389 HB2 ASP 47 2HB ASP 47 -7.222 -12.336 -3.777 390 HB3 ASP 47 1HB ASP 47 -6.632 -13.622 -4.829 391 H GLU 48 H GLU 48 -2.776 -12.986 -3.689 392 HA GLU 48 HA GLU 48 -2.233 -15.110 -5.286 393 HB2 GLU 48 2HB GLU 48 -0.952 -13.897 -7.208 394 HB3 GLU 48 1HB GLU 48 -2.682 -14.170 -7.358 395 HG2 GLU 48 2HG GLU 48 -2.972 -12.011 -7.710 396 HG3 GLU 48 1HG GLU 48 -2.346 -11.667 -6.102 397 H ILE 49 H ILE 49 -0.673 -11.907 -5.093 398 HA ILE 49 HA ILE 49 1.578 -13.194 -3.696 399 HB ILE 49 HB ILE 49 1.812 -10.662 -5.311 400 HG12 ILE 49 2HG1 ILE 49 2.588 -13.414 -6.264 401 HG13 ILE 49 1HG1 ILE 49 1.056 -12.661 -6.690 402 HG21 ILE 49 1HG2 ILE 49 3.677 -12.494 -3.897 403 HG22 ILE 49 2HG2 ILE 49 3.667 -10.731 -3.981 404 HG23 ILE 49 3HG2 ILE 49 4.244 -11.676 -5.355 405 HD11 ILE 49 3HD1 ILE 49 2.002 -11.319 -8.202 406 HD12 ILE 49 1HD1 ILE 49 3.333 -12.479 -8.147 407 HD13 ILE 49 2HD1 ILE 49 3.407 -10.992 -7.189 408 H LYS 50 H LYS 50 -1.007 -11.722 -2.851 409 HA LYS 50 HA LYS 50 -1.670 -10.332 -1.179 410 HB2 LYS 50 2HB LYS 50 1.110 -11.074 -0.380 411 HB3 LYS 50 1HB LYS 50 0.281 -9.813 0.521 412 HG2 LYS 50 2HG LYS 50 -0.376 -11.576 1.765 413 HG3 LYS 50 1HG LYS 50 -1.641 -11.661 0.536 414 HD2 LYS 50 2HD LYS 50 0.842 -13.079 -0.142 415 HD3 LYS 50 1HD LYS 50 -0.029 -13.734 1.246 416 HE2 LYS 50 2HE LYS 50 -2.107 -13.564 -0.291 417 HE3 LYS 50 1HE LYS 50 -0.928 -13.464 -1.598 418 HZ1 LYS 50 3HZ LYS 50 -1.188 -15.673 0.370 419 HZ2 LYS 50 1HZ LYS 50 0.019 -15.570 -0.812 420 HZ3 LYS 50 2HZ LYS 50 -1.602 -15.735 -1.268 421 H THR 51 H THR 51 -2.060 -8.541 -2.559 422 HA THR 51 HA THR 51 -0.167 -6.360 -2.123 423 HB THR 51 HB THR 51 -1.255 -7.012 -4.862 424 HG1 THR 51 1HG THR 51 0.369 -8.479 -4.191 425 HG21 THR 51 3HG2 THR 51 -0.140 -4.624 -3.833 426 HG22 THR 51 1HG2 THR 51 -0.599 -5.004 -5.494 427 HG23 THR 51 2HG2 THR 51 1.035 -5.351 -4.929 428 H PHE 52 H PHE 52 -1.012 -4.338 -2.067 429 HA PHE 52 HA PHE 52 -3.918 -4.071 -2.418 430 HB2 PHE 52 2HB PHE 52 -2.458 -2.547 -0.280 431 HB3 PHE 52 1HB PHE 52 -4.176 -2.900 -0.404 432 HD1 PHE 52 2HD PHE 52 -0.900 -4.613 0.054 433 HD2 PHE 52 1HD PHE 52 -5.074 -4.585 0.887 434 HE1 PHE 52 2HE PHE 52 -0.608 -6.530 1.567 435 HE2 PHE 52 1HE PHE 52 -4.788 -6.500 2.403 436 HZ PHE 52 HZ PHE 52 -2.553 -7.476 2.745 437 H THR 53 H THR 53 -4.625 -1.850 -2.899 438 HA THR 53 HA THR 53 -2.505 -0.023 -3.692 439 HB THR 53 HB THR 53 -4.544 -1.144 -5.626 440 HG1 THR 53 1HG THR 53 -1.807 -1.440 -5.255 441 HG21 THR 53 3HG2 THR 53 -2.507 0.944 -6.348 442 HG22 THR 53 1HG2 THR 53 -4.169 1.349 -5.911 443 HG23 THR 53 2HG2 THR 53 -3.849 0.326 -7.308 444 H VAL 54 H VAL 54 -3.156 2.119 -4.007 445 HA VAL 54 HA VAL 54 -5.931 2.791 -3.328 446 HB VAL 54 HB VAL 54 -4.142 2.930 -1.351 447 HG11 VAL 54 1HG1 VAL 54 -3.185 5.088 -1.038 448 HG12 VAL 54 2HG1 VAL 54 -3.961 5.710 -2.493 449 HG13 VAL 54 3HG1 VAL 54 -2.674 4.513 -2.624 450 HG21 VAL 54 3HG2 VAL 54 -5.797 3.938 -0.231 451 HG22 VAL 54 1HG2 VAL 54 -6.684 3.775 -1.747 452 HG23 VAL 54 2HG2 VAL 54 -5.875 5.293 -1.357 453 H THR 55 H THR 55 -6.547 3.669 -5.204 454 HA THR 55 HA THR 55 -4.748 5.591 -6.511 455 HB THR 55 HB THR 55 -7.164 4.179 -7.651 456 HG1 THR 55 1HG THR 55 -5.819 2.583 -7.773 457 HG21 THR 55 3HG2 THR 55 -6.263 4.836 -9.826 458 HG22 THR 55 1HG2 THR 55 -5.018 5.785 -9.015 459 HG23 THR 55 2HG2 THR 55 -6.715 6.231 -8.847 460 H GLU 56 H GLU 56 -5.222 7.685 -6.601 461 HA GLU 56 HA GLU 56 -7.717 8.608 -5.416 462 HB2 GLU 56 2HB GLU 56 -5.653 9.651 -4.659 463 HB3 GLU 56 1HB GLU 56 -5.253 10.105 -6.307 464 HG2 GLU 56 2HG GLU 56 -7.415 11.448 -6.292 465 HG3 GLU 56 1HG GLU 56 -7.419 11.196 -4.547 Start of MODEL 10 1 H1 THR 1 1HT THR 1 2.986 -14.160 4.291 2 H2 THR 1 2HT THR 1 2.870 -12.943 3.086 3 H3 THR 1 3HT THR 1 3.088 -12.506 4.731 4 HA THR 1 HA THR 1 5.235 -13.366 4.779 5 HB THR 1 HB THR 1 4.714 -14.310 1.952 6 HG1 THR 1 1HG THR 1 4.700 -15.675 4.422 7 HG21 THR 1 1HG2 THR 1 7.104 -13.751 2.636 8 HG22 THR 1 2HG2 THR 1 6.793 -15.356 1.971 9 HG23 THR 1 3HG2 THR 1 6.985 -15.143 3.712 10 H THR 2 H THR 2 4.303 -12.408 1.470 11 HA THR 2 HA THR 2 5.929 -9.975 1.822 12 HB THR 2 HB THR 2 5.424 -11.291 -0.837 13 HG1 THR 2 1HG THR 2 7.571 -11.779 0.947 14 HG21 THR 2 3HG2 THR 2 6.282 -9.025 -0.938 15 HG22 THR 2 1HG2 THR 2 7.492 -10.183 -1.489 16 HG23 THR 2 2HG2 THR 2 7.619 -9.473 0.120 17 H TYR 3 H TYR 3 4.878 -8.108 1.628 18 HA TYR 3 HA TYR 3 2.363 -8.066 0.101 19 HB2 TYR 3 2HB TYR 3 2.802 -6.494 2.641 20 HB3 TYR 3 1HB TYR 3 1.292 -6.719 1.753 21 HD1 TYR 3 1HD TYR 3 3.791 -8.437 3.885 22 HD2 TYR 3 2HD TYR 3 -0.095 -8.602 2.150 23 HE1 TYR 3 1HE TYR 3 3.247 -10.371 5.300 24 HE2 TYR 3 2HE TYR 3 -0.647 -10.535 3.564 25 HH TYR 3 HH TYR 3 1.389 -11.561 6.160 26 H LYS 4 H LYS 4 1.964 -6.260 -1.120 27 HA LYS 4 HA LYS 4 3.947 -4.091 -1.029 28 HB2 LYS 4 2HB LYS 4 2.905 -5.253 -3.610 29 HB3 LYS 4 1HB LYS 4 4.198 -4.076 -3.404 30 HG2 LYS 4 2HG LYS 4 5.654 -5.740 -3.435 31 HG3 LYS 4 1HG LYS 4 4.964 -6.329 -1.921 32 HD2 LYS 4 2HD LYS 4 4.916 -8.135 -3.476 33 HD3 LYS 4 1HD LYS 4 3.258 -7.560 -3.287 34 HE2 LYS 4 2HE LYS 4 4.024 -8.048 -5.654 35 HE3 LYS 4 1HE LYS 4 3.288 -6.471 -5.374 36 HZ1 LYS 4 3HZ LYS 4 5.542 -6.740 -6.683 37 HZ2 LYS 4 1HZ LYS 4 6.193 -6.670 -5.124 38 HZ3 LYS 4 2HZ LYS 4 5.244 -5.396 -5.701 39 H LEU 5 H LEU 5 3.231 -2.069 -1.744 40 HA LEU 5 HA LEU 5 0.332 -1.826 -2.135 41 HB2 LEU 5 2HB LEU 5 0.471 -1.151 0.055 42 HB3 LEU 5 1HB LEU 5 2.103 -0.516 -0.137 43 HG LEU 5 HG LEU 5 1.253 1.471 -1.230 44 HD11 LEU 5 1HD1 LEU 5 -1.579 1.040 -0.799 45 HD12 LEU 5 2HD1 LEU 5 -0.900 -0.120 -1.941 46 HD13 LEU 5 3HD1 LEU 5 -0.726 1.611 -2.234 47 HD21 LEU 5 3HD2 LEU 5 -0.575 2.006 0.706 48 HD22 LEU 5 1HD2 LEU 5 1.172 2.100 0.922 49 HD23 LEU 5 2HD2 LEU 5 0.299 0.650 1.418 50 H ILE 6 H ILE 6 -0.278 -0.550 -3.772 51 HA ILE 6 HA ILE 6 1.800 1.049 -5.106 52 HB ILE 6 HB ILE 6 -0.700 -0.172 -6.275 53 HG12 ILE 6 2HG1 ILE 6 1.020 -1.440 -7.647 54 HG13 ILE 6 1HG1 ILE 6 2.231 -0.848 -6.516 55 HG21 ILE 6 1HG2 ILE 6 -0.426 1.760 -7.524 56 HG22 ILE 6 2HG2 ILE 6 0.490 0.572 -8.452 57 HG23 ILE 6 3HG2 ILE 6 1.334 1.711 -7.401 58 HD11 ILE 6 3HD1 ILE 6 1.188 -3.191 -6.183 59 HD12 ILE 6 1HD1 ILE 6 -0.168 -2.293 -5.498 60 HD13 ILE 6 2HD1 ILE 6 1.440 -2.142 -4.788 61 H LEU 7 H LEU 7 1.628 3.109 -4.491 62 HA LEU 7 HA LEU 7 -1.006 4.267 -3.995 63 HB2 LEU 7 2HB LEU 7 1.630 5.676 -3.669 64 HB3 LEU 7 1HB LEU 7 0.094 6.035 -2.889 65 HG LEU 7 HG LEU 7 1.313 3.387 -2.317 66 HD11 LEU 7 1HD1 LEU 7 3.298 4.372 -1.878 67 HD12 LEU 7 2HD1 LEU 7 2.482 4.809 -0.377 68 HD13 LEU 7 3HD1 LEU 7 2.589 5.976 -1.695 69 HD21 LEU 7 3HD2 LEU 7 0.515 4.230 0.016 70 HD22 LEU 7 1HD2 LEU 7 -0.668 3.693 -1.177 71 HD23 LEU 7 2HD2 LEU 7 -0.384 5.416 -0.931 72 H ASN 8 H ASN 8 -2.004 5.572 -5.386 73 HA ASN 8 HA ASN 8 -0.425 6.786 -7.552 74 HB2 ASN 8 2HB ASN 8 -1.782 4.804 -8.320 75 HB3 ASN 8 1HB ASN 8 -3.229 5.704 -7.875 76 HD21 ASN 8 1HD2 ASN 8 -0.246 6.802 -9.435 77 HD22 ASN 8 2HD2 ASN 8 -1.018 7.367 -10.869 78 H LEU 9 H LEU 9 -0.368 8.863 -6.893 79 HA LEU 9 HA LEU 9 -2.898 10.134 -6.099 80 HB2 LEU 9 2HB LEU 9 -1.393 11.983 -5.269 81 HB3 LEU 9 1HB LEU 9 -1.289 10.454 -4.404 82 HG LEU 9 HG LEU 9 0.661 10.677 -6.578 83 HD11 LEU 9 1HD1 LEU 9 2.115 12.205 -5.139 84 HD12 LEU 9 2HD1 LEU 9 0.612 12.705 -4.363 85 HD13 LEU 9 3HD1 LEU 9 0.836 12.965 -6.092 86 HD21 LEU 9 3HD2 LEU 9 1.361 10.315 -3.716 87 HD22 LEU 9 1HD2 LEU 9 1.981 9.492 -5.148 88 HD23 LEU 9 2HD2 LEU 9 0.396 9.066 -4.505 89 H LYS 10 H LYS 10 -2.737 12.650 -6.659 90 HA LYS 10 HA LYS 10 -2.747 12.740 -9.540 91 HB2 LYS 10 2HB LYS 10 -4.312 13.917 -7.710 92 HB3 LYS 10 1HB LYS 10 -3.149 15.217 -7.951 93 HG2 LYS 10 2HG LYS 10 -3.629 14.814 -10.477 94 HG3 LYS 10 1HG LYS 10 -5.101 14.045 -9.876 95 HD2 LYS 10 2HD LYS 10 -4.377 16.720 -8.799 96 HD3 LYS 10 1HD LYS 10 -5.009 16.633 -10.447 97 HE2 LYS 10 2HE LYS 10 -6.885 15.202 -9.427 98 HE3 LYS 10 1HE LYS 10 -6.329 15.820 -7.873 99 HZ1 LYS 10 3HZ LYS 10 -6.529 18.089 -9.223 100 HZ2 LYS 10 1HZ LYS 10 -7.825 17.420 -8.359 101 HZ3 LYS 10 2HZ LYS 10 -7.719 17.194 -10.031 102 H GLN 11 H GLN 11 -0.268 12.253 -9.253 103 HA GLN 11 HA GLN 11 1.131 14.448 -10.269 104 HB2 GLN 11 2HB GLN 11 0.954 14.458 -7.423 105 HB3 GLN 11 1HB GLN 11 2.629 14.102 -7.864 106 HG2 GLN 11 2HG GLN 11 1.662 16.244 -9.507 107 HG3 GLN 11 1HG GLN 11 1.287 16.613 -7.822 108 HE21 GLN 11 1HE2 GLN 11 3.567 16.886 -10.179 109 HE22 GLN 11 2HE2 GLN 11 4.965 17.145 -9.197 110 H ALA 12 H ALA 12 1.590 11.580 -8.213 111 HA ALA 12 HA ALA 12 3.137 10.296 -10.272 112 HB1 ALA 12 1HB ALA 12 5.226 10.228 -9.279 113 HB2 ALA 12 2HB ALA 12 4.599 10.649 -7.686 114 HB3 ALA 12 3HB ALA 12 4.704 11.879 -8.946 115 H LYS 13 H LYS 13 4.364 8.322 -8.813 116 HA LYS 13 HA LYS 13 2.286 7.157 -7.115 117 HB2 LYS 13 2HB LYS 13 2.379 5.034 -8.302 118 HB3 LYS 13 1HB LYS 13 1.895 6.322 -9.398 119 HG2 LYS 13 2HG LYS 13 4.779 5.815 -9.319 120 HG3 LYS 13 1HG LYS 13 3.806 4.471 -9.922 121 HD2 LYS 13 2HD LYS 13 2.664 6.519 -11.242 122 HD3 LYS 13 1HD LYS 13 4.319 7.122 -11.100 123 HE2 LYS 13 2HE LYS 13 5.166 5.089 -12.129 124 HE3 LYS 13 1HE LYS 13 3.535 4.434 -12.217 125 HZ1 LYS 13 3HZ LYS 13 3.362 6.858 -13.466 126 HZ2 LYS 13 1HZ LYS 13 3.427 5.345 -14.215 127 HZ3 LYS 13 2HZ LYS 13 4.846 6.240 -13.990 128 H GLU 14 H GLU 14 3.020 5.678 -5.594 129 HA GLU 14 HA GLU 14 5.925 5.240 -5.474 130 HB2 GLU 14 2HB GLU 14 4.733 7.073 -3.885 131 HB3 GLU 14 1HB GLU 14 4.525 5.631 -2.892 132 HG2 GLU 14 2HG GLU 14 6.528 6.405 -2.121 133 HG3 GLU 14 1HG GLU 14 7.069 5.292 -3.378 134 H GLU 15 H GLU 15 6.525 3.214 -4.929 135 HA GLU 15 HA GLU 15 4.372 1.321 -4.287 136 HB2 GLU 15 2HB GLU 15 7.032 1.010 -5.652 137 HB3 GLU 15 1HB GLU 15 6.190 -0.383 -4.982 138 HG2 GLU 15 2HG GLU 15 4.262 0.099 -6.402 139 HG3 GLU 15 1HG GLU 15 5.104 1.497 -7.070 140 H ALA 16 H ALA 16 4.264 0.464 -2.335 141 HA ALA 16 HA ALA 16 6.636 0.612 -0.595 142 HB1 ALA 16 1HB ALA 16 4.932 0.362 1.268 143 HB2 ALA 16 2HB ALA 16 3.698 0.659 0.045 144 HB3 ALA 16 3HB ALA 16 4.914 1.889 0.388 145 H ILE 17 H ILE 17 7.496 -1.234 0.182 146 HA ILE 17 HA ILE 17 5.922 -3.702 -0.030 147 HB ILE 17 HB ILE 17 7.791 -4.936 -0.947 148 HG12 ILE 17 2HG1 ILE 17 9.576 -3.507 0.083 149 HG13 ILE 17 1HG1 ILE 17 9.867 -3.913 -1.605 150 HG21 ILE 17 1HG2 ILE 17 7.884 -3.908 -3.195 151 HG22 ILE 17 2HG2 ILE 17 7.137 -2.455 -2.533 152 HG23 ILE 17 3HG2 ILE 17 6.251 -3.980 -2.534 153 HD11 ILE 17 3HD1 ILE 17 8.473 -1.504 -1.670 154 HD12 ILE 17 1HD1 ILE 17 10.191 -1.757 -1.973 155 HD13 ILE 17 2HD1 ILE 17 9.634 -1.340 -0.353 156 H LYS 18 H LYS 18 6.516 -5.377 1.371 157 HA LYS 18 HA LYS 18 8.649 -5.155 3.235 158 HB2 LYS 18 2HB LYS 18 7.472 -3.502 4.380 159 HB3 LYS 18 1HB LYS 18 5.907 -4.233 4.023 160 HG2 LYS 18 2HG LYS 18 6.005 -5.629 5.808 161 HG3 LYS 18 1HG LYS 18 7.759 -5.797 5.724 162 HD2 LYS 18 2HD LYS 18 8.016 -4.257 7.308 163 HD3 LYS 18 1HD LYS 18 7.102 -3.085 6.357 164 HE2 LYS 18 2HE LYS 18 5.677 -3.161 8.099 165 HE3 LYS 18 1HE LYS 18 5.094 -4.620 7.301 166 HZ1 LYS 18 3HZ LYS 18 7.321 -5.191 8.972 167 HZ2 LYS 18 1HZ LYS 18 5.762 -5.849 9.004 168 HZ3 LYS 18 2HZ LYS 18 6.098 -4.425 9.853 169 H GLU 19 H GLU 19 8.870 -7.023 4.500 170 HA GLU 19 HA GLU 19 7.074 -9.221 3.736 171 HB2 GLU 19 2HB GLU 19 9.584 -9.249 3.123 172 HB3 GLU 19 1HB GLU 19 9.844 -9.606 4.826 173 HG2 GLU 19 2HG GLU 19 8.149 -11.511 4.448 174 HG3 GLU 19 1HG GLU 19 8.498 -11.262 2.738 175 H ALA 20 H ALA 20 5.748 -9.908 5.270 176 HA ALA 20 HA ALA 20 6.699 -10.027 8.039 177 HB1 ALA 20 1HB ALA 20 5.023 -8.768 8.943 178 HB2 ALA 20 2HB ALA 20 3.904 -9.107 7.623 179 HB3 ALA 20 3HB ALA 20 5.208 -7.939 7.397 180 H VAL 21 H VAL 21 5.359 -11.424 9.412 181 HA VAL 21 HA VAL 21 4.420 -13.723 7.885 182 HB VAL 21 HB VAL 21 4.421 -14.913 10.039 183 HG11 VAL 21 1HG1 VAL 21 6.794 -13.589 8.899 184 HG12 VAL 21 2HG1 VAL 21 6.454 -15.302 9.142 185 HG13 VAL 21 3HG1 VAL 21 7.007 -14.312 10.493 186 HG21 VAL 21 3HG2 VAL 21 4.600 -12.211 11.075 187 HG22 VAL 21 1HG2 VAL 21 5.847 -13.260 11.749 188 HG23 VAL 21 2HG2 VAL 21 4.148 -13.705 11.894 189 H ASP 22 H ASP 22 2.835 -11.147 8.329 190 HA ASP 22 HA ASP 22 0.310 -12.436 8.746 191 HB2 ASP 22 2HB ASP 22 1.463 -11.608 11.060 192 HB3 ASP 22 1HB ASP 22 0.595 -10.146 10.599 193 H ALA 23 H ALA 23 -1.288 -10.222 9.198 194 HA ALA 23 HA ALA 23 -0.674 -8.541 6.855 195 HB1 ALA 23 1HB ALA 23 -2.549 -9.796 6.253 196 HB2 ALA 23 2HB ALA 23 -3.210 -8.244 6.768 197 HB3 ALA 23 3HB ALA 23 -3.281 -9.637 7.849 198 H GLY 24 H GLY 24 -2.078 -8.601 10.103 199 HA2 GLY 24 2HA GLY 24 -2.906 -5.997 10.402 200 HA3 GLY 24 1HA GLY 24 -2.185 -6.941 11.698 201 H THR 25 H THR 25 0.364 -7.221 10.309 202 HA THR 25 HA THR 25 1.534 -4.717 11.146 203 HB THR 25 HB THR 25 2.902 -7.120 9.926 204 HG1 THR 25 1HG THR 25 2.510 -6.526 12.670 205 HG21 THR 25 3HG2 THR 25 4.072 -5.140 11.848 206 HG22 THR 25 1HG2 THR 25 4.187 -4.946 10.100 207 HG23 THR 25 2HG2 THR 25 4.900 -6.358 10.879 208 H ALA 26 H ALA 26 0.707 -6.334 8.175 209 HA ALA 26 HA ALA 26 2.319 -4.634 6.503 210 HB1 ALA 26 1HB ALA 26 1.373 -5.791 4.664 211 HB2 ALA 26 2HB ALA 26 0.003 -6.345 5.627 212 HB3 ALA 26 3HB ALA 26 1.614 -6.992 5.934 213 H GLU 27 H GLU 27 -1.094 -4.858 7.404 214 HA GLU 27 HA GLU 27 -2.002 -2.743 5.762 215 HB2 GLU 27 2HB GLU 27 -3.529 -4.400 6.722 216 HB3 GLU 27 1HB GLU 27 -3.159 -3.822 8.341 217 HG2 GLU 27 2HG GLU 27 -4.296 -1.811 8.012 218 HG3 GLU 27 1HG GLU 27 -4.307 -2.001 6.259 219 H LYS 28 H LYS 28 -1.416 -2.807 9.290 220 HA LYS 28 HA LYS 28 -1.762 -0.092 9.766 221 HB2 LYS 28 2HB LYS 28 -0.357 -2.309 11.148 222 HB3 LYS 28 1HB LYS 28 0.099 -0.679 11.623 223 HG2 LYS 28 2HG LYS 28 -2.793 -1.161 11.468 224 HG3 LYS 28 1HG LYS 28 -1.938 -2.078 12.712 225 HD2 LYS 28 2HD LYS 28 -1.248 0.787 12.496 226 HD3 LYS 28 1HD LYS 28 -2.873 0.420 13.078 227 HE2 LYS 28 2HE LYS 28 -2.036 -0.001 15.089 228 HE3 LYS 28 1HE LYS 28 -1.102 -1.333 14.408 229 HZ1 LYS 28 3HZ LYS 28 -0.076 1.407 14.147 230 HZ2 LYS 28 1HZ LYS 28 0.772 -0.054 14.240 231 HZ3 LYS 28 2HZ LYS 28 0.082 0.613 15.633 232 H TYR 29 H TYR 29 1.139 -1.834 8.739 233 HA TYR 29 HA TYR 29 2.887 0.402 8.907 234 HB2 TYR 29 2HB TYR 29 3.861 -1.797 8.894 235 HB3 TYR 29 1HB TYR 29 3.066 -2.201 7.371 236 HD1 TYR 29 2HD TYR 29 3.806 -0.981 5.273 237 HD2 TYR 29 1HD TYR 29 5.984 -0.794 8.924 238 HE1 TYR 29 2HE TYR 29 5.797 -0.227 4.041 239 HE2 TYR 29 1HE TYR 29 7.979 -0.039 7.702 240 HH TYR 29 HH TYR 29 8.900 -0.116 5.452 241 H PHE 30 H PHE 30 1.187 -1.130 6.185 242 HA PHE 30 HA PHE 30 2.038 0.674 4.211 243 HB2 PHE 30 2HB PHE 30 -0.233 -1.258 4.464 244 HB3 PHE 30 1HB PHE 30 -0.272 -0.085 3.147 245 HD1 PHE 30 2HD PHE 30 2.803 -0.054 2.753 246 HD2 PHE 30 1HD PHE 30 -0.058 -3.202 3.055 247 HE1 PHE 30 2HE PHE 30 4.261 -1.511 1.413 248 HE2 PHE 30 1HE PHE 30 1.401 -4.654 1.715 249 HZ PHE 30 HZ PHE 30 3.561 -3.810 0.892 250 H LYS 31 H LYS 31 -0.788 0.655 6.335 251 HA LYS 31 HA LYS 31 -2.108 2.881 5.298 252 HB2 LYS 31 2HB LYS 31 -2.675 1.132 7.244 253 HB3 LYS 31 1HB LYS 31 -2.152 2.481 8.242 254 HG2 LYS 31 2HG LYS 31 -3.823 3.914 7.222 255 HG3 LYS 31 1HG LYS 31 -4.319 2.598 6.154 256 HD2 LYS 31 2HD LYS 31 -4.325 1.949 9.022 257 HD3 LYS 31 1HD LYS 31 -5.496 3.173 8.529 258 HE2 LYS 31 2HE LYS 31 -5.188 0.459 7.250 259 HE3 LYS 31 1HE LYS 31 -6.401 0.870 8.460 260 HZ1 LYS 31 3HZ LYS 31 -6.796 1.048 5.826 261 HZ2 LYS 31 1HZ LYS 31 -6.308 2.632 6.164 262 HZ3 LYS 31 2HZ LYS 31 -7.641 1.968 6.967 263 H LEU 32 H LEU 32 0.643 2.673 7.478 264 HA LEU 32 HA LEU 32 0.586 5.384 8.322 265 HB2 LEU 32 2HB LEU 32 2.758 3.297 8.302 266 HB3 LEU 32 1HB LEU 32 2.987 4.911 8.958 267 HG LEU 32 HG LEU 32 1.929 2.598 10.237 268 HD11 LEU 32 1HD1 LEU 32 3.447 4.062 11.314 269 HD12 LEU 32 2HD1 LEU 32 1.921 4.166 12.193 270 HD13 LEU 32 3HD1 LEU 32 2.381 5.447 11.071 271 HD21 LEU 32 3HD2 LEU 32 -0.036 4.884 10.085 272 HD22 LEU 32 1HD2 LEU 32 -0.124 3.539 11.220 273 HD23 LEU 32 2HD2 LEU 32 -0.287 3.244 9.490 274 H ILE 33 H ILE 33 2.187 3.675 5.668 275 HA ILE 33 HA ILE 33 3.630 6.025 4.826 276 HB ILE 33 HB ILE 33 4.574 3.778 4.473 277 HG12 ILE 33 2HG1 ILE 33 5.118 4.083 2.009 278 HG13 ILE 33 1HG1 ILE 33 3.990 5.436 2.017 279 HG21 ILE 33 1HG2 ILE 33 3.633 2.424 2.569 280 HG22 ILE 33 2HG2 ILE 33 2.196 3.441 2.668 281 HG23 ILE 33 3HG2 ILE 33 2.671 2.450 4.046 282 HD11 ILE 33 3HD1 ILE 33 6.524 5.859 2.340 283 HD12 ILE 33 1HD1 ILE 33 6.215 5.350 4.000 284 HD13 ILE 33 2HD1 ILE 33 5.359 6.739 3.330 285 H ALA 34 H ALA 34 0.659 4.380 3.991 286 HA ALA 34 HA ALA 34 0.185 5.774 1.554 287 HB1 ALA 34 1HB ALA 34 -1.116 3.923 1.549 288 HB2 ALA 34 2HB ALA 34 -2.286 5.019 2.284 289 HB3 ALA 34 3HB ALA 34 -1.332 3.939 3.301 290 H ASN 35 H ASN 35 -1.446 6.035 4.718 291 HA ASN 35 HA ASN 35 -2.853 8.374 4.178 292 HB2 ASN 35 2HB ASN 35 -2.639 6.663 6.328 293 HB3 ASN 35 1HB ASN 35 -1.935 8.148 6.957 294 HD21 ASN 35 1HD2 ASN 35 -4.571 7.730 4.611 295 HD22 ASN 35 2HD2 ASN 35 -5.763 8.537 5.564 296 H ALA 36 H ALA 36 0.459 7.930 5.281 297 HA ALA 36 HA ALA 36 0.889 10.695 5.886 298 HB1 ALA 36 1HB ALA 36 2.165 8.855 6.942 299 HB2 ALA 36 2HB ALA 36 3.195 10.087 6.213 300 HB3 ALA 36 3HB ALA 36 2.944 8.546 5.390 301 H LYS 37 H LYS 37 0.989 8.783 3.014 302 HA LYS 37 HA LYS 37 2.564 10.791 1.588 303 HB2 LYS 37 2HB LYS 37 1.704 7.989 0.994 304 HB3 LYS 37 1HB LYS 37 2.122 9.056 -0.338 305 HG2 LYS 37 2HG LYS 37 4.184 9.343 1.532 306 HG3 LYS 37 1HG LYS 37 3.839 7.615 1.453 307 HD2 LYS 37 2HD LYS 37 5.499 8.089 -0.192 308 HD3 LYS 37 1HD LYS 37 3.982 7.793 -1.044 309 HE2 LYS 37 2HE LYS 37 5.310 9.753 -1.880 310 HE3 LYS 37 1HE LYS 37 3.646 10.114 -1.424 311 HZ1 LYS 37 3HZ LYS 37 5.346 11.733 -0.629 312 HZ2 LYS 37 1HZ LYS 37 5.950 10.530 0.395 313 HZ3 LYS 37 2HZ LYS 37 4.368 11.095 0.588 314 H THR 38 H THR 38 -0.685 9.492 1.786 315 HA THR 38 HA THR 38 -1.658 11.764 0.251 316 HB THR 38 HB THR 38 -2.787 9.094 -0.463 317 HG1 THR 38 1HG THR 38 -1.245 8.972 -2.157 318 HG21 THR 38 3HG2 THR 38 -2.637 11.780 -1.728 319 HG22 THR 38 1HG2 THR 38 -4.016 10.691 -1.530 320 HG23 THR 38 2HG2 THR 38 -2.785 10.346 -2.745 321 H VAL 39 H VAL 39 -4.174 11.661 0.218 322 HA VAL 39 HA VAL 39 -5.222 10.483 2.678 323 HB VAL 39 HB VAL 39 -4.536 12.796 3.229 324 HG11 VAL 39 1HG1 VAL 39 -4.942 13.688 0.926 325 HG12 VAL 39 2HG1 VAL 39 -5.555 14.698 2.236 326 HG13 VAL 39 3HG1 VAL 39 -6.665 13.693 1.303 327 HG21 VAL 39 3HG2 VAL 39 -7.264 13.375 3.557 328 HG22 VAL 39 1HG2 VAL 39 -6.178 12.604 4.711 329 HG23 VAL 39 2HG2 VAL 39 -7.127 11.619 3.597 330 H GLU 40 H GLU 40 -5.588 9.791 -0.094 331 HA GLU 40 HA GLU 40 -8.361 9.428 -0.161 332 HB2 GLU 40 2HB GLU 40 -7.894 11.990 -0.794 333 HB3 GLU 40 1HB GLU 40 -7.678 11.264 -2.387 334 HG2 GLU 40 2HG GLU 40 -10.003 10.112 -1.473 335 HG3 GLU 40 1HG GLU 40 -10.104 11.769 -0.882 336 H GLY 41 H GLY 41 -8.802 7.759 -1.479 337 HA2 GLY 41 2HA GLY 41 -7.807 7.271 -4.017 338 HA3 GLY 41 1HA GLY 41 -6.678 6.501 -2.905 339 H VAL 42 H VAL 42 -7.833 4.843 -4.595 340 HA VAL 42 HA VAL 42 -10.138 3.656 -3.211 341 HB VAL 42 HB VAL 42 -9.127 2.706 -5.878 342 HG11 VAL 42 1HG1 VAL 42 -10.745 1.238 -5.304 343 HG12 VAL 42 2HG1 VAL 42 -11.796 2.495 -5.960 344 HG13 VAL 42 3HG1 VAL 42 -11.543 2.375 -4.217 345 HG21 VAL 42 3HG2 VAL 42 -10.365 5.286 -5.289 346 HG22 VAL 42 1HG2 VAL 42 -11.232 4.347 -6.504 347 HG23 VAL 42 2HG2 VAL 42 -9.529 4.736 -6.741 348 H TRP 43 H TRP 43 -9.472 2.360 -1.676 349 HA TRP 43 HA TRP 43 -7.038 0.947 -1.652 350 HB2 TRP 43 2HB TRP 43 -9.451 1.268 0.020 351 HB3 TRP 43 1HB TRP 43 -8.563 -0.216 0.263 352 HD1 TRP 43 HD TRP 43 -8.174 3.597 0.593 353 HE1 TRP 43 1HE TRP 43 -6.238 4.103 2.196 354 HE3 TRP 43 3HE TRP 43 -6.378 -1.165 1.252 355 HZ2 TRP 43 2HZ TRP 43 -4.227 2.717 3.554 356 HZ3 TRP 43 3HZ TRP 43 -4.376 -1.468 2.775 357 HH2 TRP 43 HH TRP 43 -3.364 0.446 3.869 358 H THR 44 H THR 44 -6.829 -0.512 -3.318 359 HA THR 44 HA THR 44 -8.833 -2.671 -3.441 360 HB THR 44 HB THR 44 -8.030 -3.039 -5.782 361 HG1 THR 44 1HG THR 44 -6.702 -0.566 -5.383 362 HG21 THR 44 3HG2 THR 44 -9.459 -0.623 -4.913 363 HG22 THR 44 1HG2 THR 44 -9.932 -1.880 -6.054 364 HG23 THR 44 2HG2 THR 44 -8.829 -0.601 -6.560 365 H TYR 45 H TYR 45 -7.971 -4.823 -3.949 366 HA TYR 45 HA TYR 45 -5.127 -5.176 -3.425 367 HB2 TYR 45 2HB TYR 45 -5.614 -5.552 -1.230 368 HB3 TYR 45 1HB TYR 45 -7.290 -5.993 -1.557 369 HD1 TYR 45 1HD TYR 45 -7.715 -8.334 -2.526 370 HD2 TYR 45 2HD TYR 45 -4.015 -7.177 -0.771 371 HE1 TYR 45 1HE TYR 45 -7.141 -10.700 -2.189 372 HE2 TYR 45 2HE TYR 45 -3.432 -9.541 -0.432 373 HH TYR 45 HH TYR 45 -4.483 -11.690 -0.256 374 H LYS 46 H LYS 46 -4.244 -7.076 -4.221 375 HA LYS 46 HA LYS 46 -6.052 -8.647 -5.938 376 HB2 LYS 46 2HB LYS 46 -4.227 -7.108 -6.996 377 HB3 LYS 46 1HB LYS 46 -3.115 -8.384 -6.498 378 HG2 LYS 46 2HG LYS 46 -3.566 -9.300 -8.473 379 HG3 LYS 46 1HG LYS 46 -5.095 -9.795 -7.744 380 HD2 LYS 46 2HD LYS 46 -5.735 -8.745 -9.727 381 HD3 LYS 46 1HD LYS 46 -5.967 -7.503 -8.504 382 HE2 LYS 46 2HE LYS 46 -4.653 -6.157 -9.682 383 HE3 LYS 46 1HE LYS 46 -3.310 -7.250 -9.360 384 HZ1 LYS 46 3HZ LYS 46 -3.509 -6.939 -11.702 385 HZ2 LYS 46 1HZ LYS 46 -5.155 -7.329 -11.689 386 HZ3 LYS 46 2HZ LYS 46 -4.003 -8.521 -11.357 387 H ASP 47 H ASP 47 -5.990 -10.809 -5.837 388 HA ASP 47 HA ASP 47 -4.495 -12.000 -3.647 389 HB2 ASP 47 2HB ASP 47 -6.967 -12.585 -5.079 390 HB3 ASP 47 1HB ASP 47 -5.968 -14.022 -4.862 391 H GLU 48 H GLU 48 -2.646 -12.983 -3.917 392 HA GLU 48 HA GLU 48 -1.926 -14.965 -5.618 393 HB2 GLU 48 2HB GLU 48 -0.448 -13.685 -7.295 394 HB3 GLU 48 1HB GLU 48 -2.173 -13.760 -7.611 395 HG2 GLU 48 2HG GLU 48 -2.007 -11.459 -6.195 396 HG3 GLU 48 1HG GLU 48 -0.457 -11.461 -7.024 397 H ILE 49 H ILE 49 -0.385 -11.822 -4.924 398 HA ILE 49 HA ILE 49 1.592 -13.257 -3.286 399 HB ILE 49 HB ILE 49 2.227 -10.807 -4.924 400 HG12 ILE 49 2HG1 ILE 49 2.985 -13.653 -5.596 401 HG13 ILE 49 1HG1 ILE 49 1.614 -12.821 -6.323 402 HG21 ILE 49 1HG2 ILE 49 4.198 -10.825 -3.897 403 HG22 ILE 49 2HG2 ILE 49 4.431 -12.537 -4.247 404 HG23 ILE 49 3HG2 ILE 49 3.548 -12.044 -2.802 405 HD11 ILE 49 3HD1 ILE 49 3.847 -11.123 -6.591 406 HD12 ILE 49 1HD1 ILE 49 2.969 -11.994 -7.854 407 HD13 ILE 49 2HD1 ILE 49 4.355 -12.747 -7.062 408 H LYS 50 H LYS 50 -0.965 -11.659 -2.788 409 HA LYS 50 HA LYS 50 -1.760 -10.236 -1.203 410 HB2 LYS 50 2HB LYS 50 0.819 -11.164 -0.151 411 HB3 LYS 50 1HB LYS 50 0.274 -9.636 0.524 412 HG2 LYS 50 2HG LYS 50 -0.415 -11.612 1.840 413 HG3 LYS 50 1HG LYS 50 -1.770 -10.628 1.285 414 HD2 LYS 50 2HD LYS 50 -2.376 -12.899 0.929 415 HD3 LYS 50 1HD LYS 50 -1.987 -12.221 -0.654 416 HE2 LYS 50 2HE LYS 50 0.429 -13.149 0.021 417 HE3 LYS 50 1HE LYS 50 -0.567 -14.271 0.944 418 HZ1 LYS 50 3HZ LYS 50 -0.809 -13.760 -1.972 419 HZ2 LYS 50 1HZ LYS 50 -1.735 -14.858 -1.080 420 HZ3 LYS 50 2HZ LYS 50 -0.075 -15.114 -1.272 421 H THR 51 H THR 51 -2.060 -8.479 -2.635 422 HA THR 51 HA THR 51 -0.156 -6.311 -2.166 423 HB THR 51 HB THR 51 0.483 -7.360 -4.307 424 HG1 THR 51 1HG THR 51 0.413 -5.411 -5.514 425 HG21 THR 51 3HG2 THR 51 -0.855 -7.499 -6.166 426 HG22 THR 51 1HG2 THR 51 -2.013 -6.318 -5.553 427 HG23 THR 51 2HG2 THR 51 -1.972 -7.946 -4.877 428 H PHE 52 H PHE 52 -0.969 -4.281 -2.163 429 HA PHE 52 HA PHE 52 -3.853 -3.973 -2.645 430 HB2 PHE 52 2HB PHE 52 -2.495 -2.423 -0.466 431 HB3 PHE 52 1HB PHE 52 -4.200 -2.812 -0.653 432 HD1 PHE 52 1HD PHE 52 -0.898 -4.294 0.151 433 HD2 PHE 52 2HD PHE 52 -5.130 -4.650 0.443 434 HE1 PHE 52 1HE PHE 52 -0.628 -6.175 1.716 435 HE2 PHE 52 2HE PHE 52 -4.867 -6.533 2.006 436 HZ PHE 52 HZ PHE 52 -2.615 -7.296 2.643 437 H THR 53 H THR 53 -4.514 -1.760 -3.145 438 HA THR 53 HA THR 53 -2.372 0.065 -3.875 439 HB THR 53 HB THR 53 -4.382 -1.010 -5.869 440 HG1 THR 53 1HG THR 53 -2.629 -2.358 -5.660 441 HG21 THR 53 3HG2 THR 53 -2.219 0.942 -6.576 442 HG22 THR 53 1HG2 THR 53 -3.834 1.483 -6.104 443 HG23 THR 53 2HG2 THR 53 -3.628 0.444 -7.512 444 H VAL 54 H VAL 54 -3.045 2.223 -4.170 445 HA VAL 54 HA VAL 54 -5.842 2.796 -3.474 446 HB VAL 54 HB VAL 54 -3.951 3.088 -1.592 447 HG11 VAL 54 1HG1 VAL 54 -2.678 4.749 -2.950 448 HG12 VAL 54 2HG1 VAL 54 -3.182 5.340 -1.369 449 HG13 VAL 54 3HG1 VAL 54 -4.058 5.839 -2.815 450 HG21 VAL 54 3HG2 VAL 54 -6.407 4.714 -2.129 451 HG22 VAL 54 1HG2 VAL 54 -5.467 4.922 -0.650 452 HG23 VAL 54 2HG2 VAL 54 -6.190 3.357 -1.025 453 H THR 55 H THR 55 -6.569 3.562 -5.346 454 HA THR 55 HA THR 55 -4.937 5.470 -6.853 455 HB THR 55 HB THR 55 -7.532 4.214 -7.737 456 HG1 THR 55 1HG THR 55 -6.362 2.568 -8.603 457 HG21 THR 55 3HG2 THR 55 -5.842 6.112 -8.939 458 HG22 THR 55 1HG2 THR 55 -7.232 5.286 -9.641 459 HG23 THR 55 2HG2 THR 55 -5.618 4.594 -9.809 460 H GLU 56 H GLU 56 -5.338 7.573 -6.779 461 HA GLU 56 HA GLU 56 -7.835 8.485 -5.554 462 HB2 GLU 56 2HB GLU 56 -6.643 10.162 -4.650 463 HB3 GLU 56 1HB GLU 56 -5.224 9.253 -5.139 464 HG2 GLU 56 2HG GLU 56 -5.029 10.541 -7.159 465 HG3 GLU 56 1HG GLU 56 -6.529 11.399 -6.800 Start of MODEL 11 1 H1 THR 1 1HT THR 1 5.175 -13.274 5.128 2 H2 THR 1 2HT THR 1 5.890 -14.277 3.932 3 H3 THR 1 3HT THR 1 4.496 -14.809 4.780 4 HA THR 1 HA THR 1 4.163 -13.990 2.469 5 HB THR 1 HB THR 1 2.630 -12.510 4.605 6 HG1 THR 1 1HG THR 1 1.505 -14.430 4.959 7 HG21 THR 1 1HG2 THR 1 0.730 -13.500 3.099 8 HG22 THR 1 2HG2 THR 1 2.005 -13.513 1.881 9 HG23 THR 1 3HG2 THR 1 1.550 -11.999 2.665 10 H THR 2 H THR 2 4.709 -12.464 1.059 11 HA THR 2 HA THR 2 5.778 -9.932 2.064 12 HB THR 2 HB THR 2 6.253 -9.832 -0.596 13 HG1 THR 2 1HG THR 2 6.577 -11.822 -1.412 14 HG21 THR 2 3HG2 THR 2 8.319 -11.462 0.272 15 HG22 THR 2 1HG2 THR 2 7.782 -10.606 1.718 16 HG23 THR 2 2HG2 THR 2 8.276 -9.700 0.287 17 H TYR 3 H TYR 3 4.377 -8.314 2.228 18 HA TYR 3 HA TYR 3 2.129 -8.172 0.351 19 HB2 TYR 3 2HB TYR 3 2.575 -6.653 2.931 20 HB3 TYR 3 1HB TYR 3 1.116 -6.609 1.939 21 HD1 TYR 3 1HD TYR 3 3.188 -8.783 4.109 22 HD2 TYR 3 2HD TYR 3 -0.547 -8.286 2.130 23 HE1 TYR 3 1HE TYR 3 2.275 -10.690 5.363 24 HE2 TYR 3 2HE TYR 3 -1.469 -10.192 3.381 25 HH TYR 3 HH TYR 3 0.127 -12.443 4.742 26 H LYS 4 H LYS 4 1.651 -6.270 -0.791 27 HA LYS 4 HA LYS 4 3.713 -4.182 -0.797 28 HB2 LYS 4 2HB LYS 4 2.624 -5.416 -3.329 29 HB3 LYS 4 1HB LYS 4 3.891 -4.202 -3.200 30 HG2 LYS 4 2HG LYS 4 5.389 -5.783 -2.209 31 HG3 LYS 4 1HG LYS 4 4.113 -6.997 -2.106 32 HD2 LYS 4 2HD LYS 4 4.372 -7.610 -4.247 33 HD3 LYS 4 1HD LYS 4 4.502 -5.940 -4.802 34 HE2 LYS 4 2HE LYS 4 6.548 -7.305 -5.194 35 HE3 LYS 4 1HE LYS 4 6.821 -5.858 -4.226 36 HZ1 LYS 4 3HZ LYS 4 7.469 -8.469 -3.571 37 HZ2 LYS 4 1HZ LYS 4 6.193 -8.041 -2.544 38 HZ3 LYS 4 2HZ LYS 4 7.599 -7.102 -2.584 39 H LEU 5 H LEU 5 3.048 -2.159 -1.541 40 HA LEU 5 HA LEU 5 0.152 -1.841 -1.903 41 HB2 LEU 5 2HB LEU 5 0.370 -1.136 0.282 42 HB3 LEU 5 1HB LEU 5 1.995 -0.506 0.022 43 HG LEU 5 HG LEU 5 1.139 1.466 -1.041 44 HD11 LEU 5 1HD1 LEU 5 -0.624 1.006 -2.385 45 HD12 LEU 5 2HD1 LEU 5 -1.523 1.596 -0.987 46 HD13 LEU 5 3HD1 LEU 5 -1.336 -0.138 -1.247 47 HD21 LEU 5 3HD2 LEU 5 -0.756 2.002 0.826 48 HD22 LEU 5 1HD2 LEU 5 0.983 2.101 1.107 49 HD23 LEU 5 2HD2 LEU 5 0.096 0.652 1.577 50 H ILE 6 H ILE 6 -0.263 -0.937 -3.806 51 HA ILE 6 HA ILE 6 1.799 0.638 -5.143 52 HB ILE 6 HB ILE 6 -0.864 -0.242 -6.225 53 HG12 ILE 6 2HG1 ILE 6 0.535 -2.165 -5.598 54 HG13 ILE 6 1HG1 ILE 6 0.331 -2.041 -7.344 55 HG21 ILE 6 1HG2 ILE 6 0.765 1.687 -7.197 56 HG22 ILE 6 2HG2 ILE 6 -0.328 0.714 -8.181 57 HG23 ILE 6 3HG2 ILE 6 1.370 0.264 -8.044 58 HD11 ILE 6 3HD1 ILE 6 2.516 -1.239 -7.639 59 HD12 ILE 6 1HD1 ILE 6 2.640 -2.596 -6.519 60 HD13 ILE 6 2HD1 ILE 6 2.718 -0.942 -5.913 61 H LEU 7 H LEU 7 1.837 2.710 -4.565 62 HA LEU 7 HA LEU 7 -0.639 4.105 -3.929 63 HB2 LEU 7 2HB LEU 7 2.240 5.005 -3.782 64 HB3 LEU 7 1HB LEU 7 0.857 5.953 -3.250 65 HG LEU 7 HG LEU 7 1.527 3.257 -2.080 66 HD11 LEU 7 1HD1 LEU 7 3.271 5.233 -1.878 67 HD12 LEU 7 2HD1 LEU 7 2.896 4.183 -0.512 68 HD13 LEU 7 3HD1 LEU 7 2.147 5.775 -0.633 69 HD21 LEU 7 3HD2 LEU 7 0.199 4.303 -0.165 70 HD22 LEU 7 1HD2 LEU 7 -0.699 3.797 -1.595 71 HD23 LEU 7 2HD2 LEU 7 -0.325 5.501 -1.347 72 H ASN 8 H ASN 8 -1.680 5.377 -5.298 73 HA ASN 8 HA ASN 8 -0.217 6.474 -7.605 74 HB2 ASN 8 2HB ASN 8 -2.030 4.488 -7.889 75 HB3 ASN 8 1HB ASN 8 -3.098 5.889 -7.979 76 HD21 ASN 8 1HD2 ASN 8 -1.356 7.684 -9.214 77 HD22 ASN 8 2HD2 ASN 8 -1.073 7.144 -10.829 78 H LEU 9 H LEU 9 -0.019 8.547 -6.979 79 HA LEU 9 HA LEU 9 -2.465 9.966 -6.160 80 HB2 LEU 9 2HB LEU 9 -0.879 11.647 -5.153 81 HB3 LEU 9 1HB LEU 9 -0.936 10.070 -4.363 82 HG LEU 9 HG LEU 9 1.146 10.250 -6.415 83 HD11 LEU 9 1HD1 LEU 9 2.545 11.566 -4.585 84 HD12 LEU 9 2HD1 LEU 9 0.971 12.296 -4.273 85 HD13 LEU 9 3HD1 LEU 9 1.683 12.393 -5.881 86 HD21 LEU 9 3HD2 LEU 9 2.390 9.577 -4.151 87 HD22 LEU 9 1HD2 LEU 9 1.465 8.422 -5.116 88 HD23 LEU 9 2HD2 LEU 9 0.735 9.172 -3.696 89 H LYS 10 H LYS 10 -2.049 12.486 -6.589 90 HA LYS 10 HA LYS 10 -1.829 12.692 -9.465 91 HB2 LYS 10 2HB LYS 10 -2.550 15.060 -9.065 92 HB3 LYS 10 1HB LYS 10 -3.669 13.839 -8.461 93 HG2 LYS 10 2HG LYS 10 -3.356 14.426 -6.307 94 HG3 LYS 10 1HG LYS 10 -1.650 14.807 -6.541 95 HD2 LYS 10 2HD LYS 10 -2.254 16.953 -6.434 96 HD3 LYS 10 1HD LYS 10 -2.959 16.732 -8.038 97 HE2 LYS 10 2HE LYS 10 -5.096 16.125 -7.003 98 HE3 LYS 10 1HE LYS 10 -4.387 16.365 -5.408 99 HZ1 LYS 10 3HZ LYS 10 -4.537 18.502 -7.458 100 HZ2 LYS 10 1HZ LYS 10 -4.134 18.665 -5.820 101 HZ3 LYS 10 2HZ LYS 10 -5.717 18.270 -6.265 102 H GLN 11 H GLN 11 0.571 12.366 -7.545 103 HA GLN 11 HA GLN 11 2.254 14.267 -8.940 104 HB2 GLN 11 2HB GLN 11 1.627 14.417 -6.059 105 HB3 GLN 11 1HB GLN 11 3.346 14.518 -6.455 106 HG2 GLN 11 2HG GLN 11 1.915 16.225 -8.248 107 HG3 GLN 11 1HG GLN 11 1.347 16.548 -6.607 108 HE21 GLN 11 1HE2 GLN 11 2.988 18.147 -8.466 109 HE22 GLN 11 2HE2 GLN 11 4.433 18.526 -7.598 110 H ALA 12 H ALA 12 2.907 12.261 -9.936 111 HA ALA 12 HA ALA 12 4.437 10.606 -10.265 112 HB1 ALA 12 1HB ALA 12 5.754 12.342 -8.669 113 HB2 ALA 12 2HB ALA 12 6.454 10.842 -9.287 114 HB3 ALA 12 3HB ALA 12 5.777 10.891 -7.659 115 H LYS 13 H LYS 13 4.673 8.417 -9.815 116 HA LYS 13 HA LYS 13 2.814 7.407 -7.797 117 HB2 LYS 13 2HB LYS 13 3.015 6.728 -10.380 118 HB3 LYS 13 1HB LYS 13 4.156 5.572 -9.711 119 HG2 LYS 13 2HG LYS 13 2.508 4.526 -8.419 120 HG3 LYS 13 1HG LYS 13 1.385 5.874 -8.608 121 HD2 LYS 13 2HD LYS 13 0.642 5.138 -10.603 122 HD3 LYS 13 1HD LYS 13 2.247 4.623 -11.123 123 HE2 LYS 13 2HE LYS 13 1.950 2.516 -10.384 124 HE3 LYS 13 1HE LYS 13 1.073 3.036 -8.946 125 HZ1 LYS 13 3HZ LYS 13 -0.315 3.387 -11.473 126 HZ2 LYS 13 1HZ LYS 13 -0.901 2.851 -9.978 127 HZ3 LYS 13 2HZ LYS 13 -0.070 1.784 -10.991 128 H GLU 14 H GLU 14 3.401 5.743 -6.344 129 HA GLU 14 HA GLU 14 6.254 5.158 -6.076 130 HB2 GLU 14 2HB GLU 14 4.984 7.082 -4.492 131 HB3 GLU 14 1HB GLU 14 5.077 5.649 -3.469 132 HG2 GLU 14 2HG GLU 14 7.291 5.820 -3.223 133 HG3 GLU 14 1HG GLU 14 7.549 6.249 -4.913 134 H GLU 15 H GLU 15 6.700 3.163 -5.241 135 HA GLU 15 HA GLU 15 4.370 1.491 -4.570 136 HB2 GLU 15 2HB GLU 15 6.966 0.809 -5.942 137 HB3 GLU 15 1HB GLU 15 5.899 -0.424 -5.281 138 HG2 GLU 15 2HG GLU 15 4.148 0.182 -6.776 139 HG3 GLU 15 1HG GLU 15 5.029 1.611 -7.315 140 H ALA 16 H ALA 16 4.270 0.681 -2.590 141 HA ALA 16 HA ALA 16 6.704 0.724 -0.933 142 HB1 ALA 16 1HB ALA 16 5.289 0.935 0.997 143 HB2 ALA 16 2HB ALA 16 3.841 0.720 0.013 144 HB3 ALA 16 3HB ALA 16 4.830 2.168 -0.176 145 H ILE 17 H ILE 17 7.466 -1.139 -0.111 146 HA ILE 17 HA ILE 17 5.726 -3.493 -0.074 147 HB ILE 17 HB ILE 17 7.361 -4.910 -1.145 148 HG12 ILE 17 2HG1 ILE 17 9.381 -3.669 -0.390 149 HG13 ILE 17 1HG1 ILE 17 9.423 -4.065 -2.105 150 HG21 ILE 17 1HG2 ILE 17 7.290 -3.984 -3.431 151 HG22 ILE 17 2HG2 ILE 17 6.776 -2.433 -2.766 152 HG23 ILE 17 3HG2 ILE 17 5.743 -3.853 -2.593 153 HD11 ILE 17 3HD1 ILE 17 8.302 -1.595 -2.154 154 HD12 ILE 17 1HD1 ILE 17 10.023 -1.930 -2.348 155 HD13 ILE 17 2HD1 ILE 17 9.387 -1.467 -0.770 156 H LYS 18 H LYS 18 6.410 -5.179 1.302 157 HA LYS 18 HA LYS 18 8.747 -4.999 2.908 158 HB2 LYS 18 2HB LYS 18 7.769 -3.249 4.107 159 HB3 LYS 18 1HB LYS 18 6.151 -3.934 3.971 160 HG2 LYS 18 2HG LYS 18 6.381 -5.140 5.848 161 HG3 LYS 18 1HG LYS 18 8.043 -5.598 5.471 162 HD2 LYS 18 2HD LYS 18 8.554 -4.238 7.192 163 HD3 LYS 18 1HD LYS 18 8.345 -2.955 5.997 164 HE2 LYS 18 2HE LYS 18 7.114 -2.410 8.003 165 HE3 LYS 18 1HE LYS 18 5.989 -2.737 6.687 166 HZ1 LYS 18 3HZ LYS 18 5.444 -3.763 8.905 167 HZ2 LYS 18 1HZ LYS 18 6.757 -4.802 8.665 168 HZ3 LYS 18 2HZ LYS 18 5.453 -4.823 7.587 169 H GLU 19 H GLU 19 9.084 -6.871 4.086 170 HA GLU 19 HA GLU 19 7.205 -9.038 3.529 171 HB2 GLU 19 2HB GLU 19 9.956 -9.316 4.726 172 HB3 GLU 19 1HB GLU 19 8.990 -10.548 3.919 173 HG2 GLU 19 2HG GLU 19 10.479 -10.043 2.274 174 HG3 GLU 19 1HG GLU 19 9.182 -8.916 1.878 175 H ALA 20 H ALA 20 5.862 -9.748 5.041 176 HA ALA 20 HA ALA 20 6.656 -9.603 7.858 177 HB1 ALA 20 1HB ALA 20 4.109 -8.477 6.714 178 HB2 ALA 20 2HB ALA 20 5.360 -7.628 7.622 179 HB3 ALA 20 3HB ALA 20 4.338 -8.816 8.429 180 H VAL 21 H VAL 21 5.715 -11.164 9.191 181 HA VAL 21 HA VAL 21 5.138 -13.637 8.017 182 HB VAL 21 HB VAL 21 4.390 -14.343 10.285 183 HG11 VAL 21 1HG1 VAL 21 6.677 -13.435 11.366 184 HG12 VAL 21 2HG1 VAL 21 6.988 -13.093 9.664 185 HG13 VAL 21 3HG1 VAL 21 6.611 -14.737 10.179 186 HG21 VAL 21 3HG2 VAL 21 4.510 -11.406 10.732 187 HG22 VAL 21 1HG2 VAL 21 4.988 -12.473 12.054 188 HG23 VAL 21 2HG2 VAL 21 3.373 -12.602 11.357 189 H ASP 22 H ASP 22 2.950 -11.254 9.505 190 HA ASP 22 HA ASP 22 0.697 -12.686 8.259 191 HB2 ASP 22 2HB ASP 22 -0.731 -11.778 10.013 192 HB3 ASP 22 1HB ASP 22 0.624 -12.635 10.734 193 H ALA 23 H ALA 23 -1.246 -10.730 8.469 194 HA ALA 23 HA ALA 23 -0.289 -8.799 6.487 195 HB1 ALA 23 1HB ALA 23 -2.204 -10.145 5.832 196 HB2 ALA 23 2HB ALA 23 -2.655 -8.445 5.964 197 HB3 ALA 23 3HB ALA 23 -3.103 -9.578 7.239 198 H GLY 24 H GLY 24 -1.694 -9.016 9.685 199 HA2 GLY 24 2HA GLY 24 -2.631 -6.469 10.125 200 HA3 GLY 24 1HA GLY 24 -1.838 -7.441 11.357 201 H THR 25 H THR 25 0.690 -7.521 9.874 202 HA THR 25 HA THR 25 1.784 -5.055 10.872 203 HB THR 25 HB THR 25 3.596 -6.666 9.253 204 HG1 THR 25 1HG THR 25 2.199 -7.923 11.377 205 HG21 THR 25 3HG2 THR 25 3.830 -6.558 12.193 206 HG22 THR 25 1HG2 THR 25 3.951 -5.032 11.317 207 HG23 THR 25 2HG2 THR 25 5.057 -6.353 10.943 208 H ALA 26 H ALA 26 0.878 -6.383 7.780 209 HA ALA 26 HA ALA 26 2.281 -4.384 6.247 210 HB1 ALA 26 1HB ALA 26 0.065 -6.071 5.151 211 HB2 ALA 26 2HB ALA 26 1.629 -6.790 5.532 212 HB3 ALA 26 3HB ALA 26 1.523 -5.484 4.352 213 H GLU 27 H GLU 27 -1.043 -4.985 7.291 214 HA GLU 27 HA GLU 27 -2.239 -2.851 5.880 215 HB2 GLU 27 2HB GLU 27 -3.541 -4.698 6.836 216 HB3 GLU 27 1HB GLU 27 -3.101 -4.180 8.458 217 HG2 GLU 27 2HG GLU 27 -4.237 -1.991 7.934 218 HG3 GLU 27 1HG GLU 27 -4.862 -2.766 6.479 219 H LYS 28 H LYS 28 -1.427 -3.090 9.349 220 HA LYS 28 HA LYS 28 -1.910 -0.430 10.006 221 HB2 LYS 28 2HB LYS 28 -0.457 -2.684 11.208 222 HB3 LYS 28 1HB LYS 28 0.129 -1.104 11.705 223 HG2 LYS 28 2HG LYS 28 -2.780 -1.819 11.814 224 HG3 LYS 28 1HG LYS 28 -1.670 -2.191 13.133 225 HD2 LYS 28 2HD LYS 28 -1.325 0.034 13.646 226 HD3 LYS 28 1HD LYS 28 -1.771 0.582 12.028 227 HE2 LYS 28 2HE LYS 28 -3.635 1.215 13.192 228 HE3 LYS 28 1HE LYS 28 -4.114 -0.409 12.703 229 HZ1 LYS 28 3HZ LYS 28 -4.558 -0.602 14.886 230 HZ2 LYS 28 1HZ LYS 28 -3.484 0.623 15.344 231 HZ3 LYS 28 2HZ LYS 28 -2.903 -0.930 15.009 232 H TYR 29 H TYR 29 1.036 -1.951 8.769 233 HA TYR 29 HA TYR 29 2.640 0.397 8.992 234 HB2 TYR 29 2HB TYR 29 3.744 -1.752 8.914 235 HB3 TYR 29 1HB TYR 29 2.998 -2.128 7.358 236 HD1 TYR 29 1HD TYR 29 3.747 -0.899 5.314 237 HD2 TYR 29 2HD TYR 29 5.725 -0.456 9.056 238 HE1 TYR 29 1HE TYR 29 5.697 0.059 4.163 239 HE2 TYR 29 2HE TYR 29 7.681 0.504 7.914 240 HH TYR 29 HH TYR 29 8.262 0.230 4.718 241 H PHE 30 H PHE 30 0.883 -1.136 6.311 242 HA PHE 30 HA PHE 30 1.626 0.723 4.330 243 HB2 PHE 30 2HB PHE 30 -0.689 -1.184 4.612 244 HB3 PHE 30 1HB PHE 30 -0.614 -0.058 3.258 245 HD1 PHE 30 1HD PHE 30 2.690 -0.600 3.694 246 HD2 PHE 30 2HD PHE 30 -0.799 -2.781 2.594 247 HE1 PHE 30 1HE PHE 30 4.086 -2.204 2.455 248 HE2 PHE 30 2HE PHE 30 0.596 -4.388 1.354 249 HZ PHE 30 HZ PHE 30 3.038 -4.098 1.285 250 H LYS 31 H LYS 31 -1.072 0.618 6.609 251 HA LYS 31 HA LYS 31 -2.478 2.842 5.655 252 HB2 LYS 31 2HB LYS 31 -3.115 1.070 7.447 253 HB3 LYS 31 1HB LYS 31 -2.341 2.174 8.577 254 HG2 LYS 31 2HG LYS 31 -4.094 3.704 6.967 255 HG3 LYS 31 1HG LYS 31 -4.971 2.269 7.500 256 HD2 LYS 31 2HD LYS 31 -4.277 2.762 9.827 257 HD3 LYS 31 1HD LYS 31 -3.516 4.247 9.253 258 HE2 LYS 31 2HE LYS 31 -5.587 4.979 9.999 259 HE3 LYS 31 1HE LYS 31 -5.837 4.785 8.263 260 HZ1 LYS 31 3HZ LYS 31 -7.215 3.037 8.564 261 HZ2 LYS 31 1HZ LYS 31 -7.485 3.783 10.059 262 HZ3 LYS 31 2HZ LYS 31 -6.417 2.475 9.945 263 H LEU 32 H LEU 32 0.378 2.629 7.689 264 HA LEU 32 HA LEU 32 0.269 5.317 8.627 265 HB2 LEU 32 2HB LEU 32 2.487 3.279 8.551 266 HB3 LEU 32 1HB LEU 32 2.652 4.868 9.284 267 HG LEU 32 HG LEU 32 1.654 2.466 10.442 268 HD11 LEU 32 1HD1 LEU 32 1.562 3.947 12.466 269 HD12 LEU 32 2HD1 LEU 32 2.005 5.288 11.407 270 HD13 LEU 32 3HD1 LEU 32 3.106 3.923 11.611 271 HD21 LEU 32 3HD2 LEU 32 -0.386 4.685 10.322 272 HD22 LEU 32 1HD2 LEU 32 -0.438 3.330 11.448 273 HD23 LEU 32 2HD2 LEU 32 -0.572 3.041 9.714 274 H ILE 33 H ILE 33 1.886 3.703 5.919 275 HA ILE 33 HA ILE 33 3.398 6.017 5.180 276 HB ILE 33 HB ILE 33 4.197 3.794 4.583 277 HG12 ILE 33 2HG1 ILE 33 3.952 4.470 1.861 278 HG13 ILE 33 1HG1 ILE 33 3.890 5.995 2.738 279 HG21 ILE 33 1HG2 ILE 33 1.711 3.648 2.893 280 HG22 ILE 33 2HG2 ILE 33 2.163 2.607 4.241 281 HG23 ILE 33 3HG2 ILE 33 3.079 2.547 2.737 282 HD11 ILE 33 3HD1 ILE 33 6.151 5.597 2.196 283 HD12 ILE 33 1HD1 ILE 33 6.071 3.933 2.776 284 HD13 ILE 33 2HD1 ILE 33 5.983 5.273 3.921 285 H ALA 34 H ALA 34 0.366 4.554 4.093 286 HA ALA 34 HA ALA 34 -0.089 6.226 1.883 287 HB1 ALA 34 1HB ALA 34 -2.401 5.277 3.494 288 HB2 ALA 34 2HB ALA 34 -1.335 4.072 2.772 289 HB3 ALA 34 3HB ALA 34 -2.153 5.253 1.748 290 H ASN 35 H ASN 35 -1.448 6.444 5.177 291 HA ASN 35 HA ASN 35 -2.750 8.877 4.889 292 HB2 ASN 35 2HB ASN 35 -2.083 7.111 7.032 293 HB3 ASN 35 1HB ASN 35 -1.688 8.753 7.533 294 HD21 ASN 35 1HD2 ASN 35 -4.261 7.758 5.326 295 HD22 ASN 35 2HD2 ASN 35 -5.561 8.298 6.324 296 H ALA 36 H ALA 36 0.637 8.210 5.540 297 HA ALA 36 HA ALA 36 1.213 11.041 5.910 298 HB1 ALA 36 1HB ALA 36 3.118 10.415 6.940 299 HB2 ALA 36 2HB ALA 36 3.442 9.117 5.788 300 HB3 ALA 36 3HB ALA 36 2.279 8.870 7.091 301 H LYS 37 H LYS 37 0.627 9.278 3.269 302 HA LYS 37 HA LYS 37 2.846 10.401 1.708 303 HB2 LYS 37 2HB LYS 37 1.241 7.950 1.493 304 HB3 LYS 37 1HB LYS 37 1.490 8.782 -0.036 305 HG2 LYS 37 2HG LYS 37 3.901 8.500 1.605 306 HG3 LYS 37 1HG LYS 37 3.200 6.981 1.045 307 HD2 LYS 37 2HD LYS 37 4.854 7.820 -0.542 308 HD3 LYS 37 1HD LYS 37 3.240 7.805 -1.255 309 HE2 LYS 37 2HE LYS 37 4.422 9.853 -1.815 310 HE3 LYS 37 1HE LYS 37 3.015 10.194 -0.809 311 HZ1 LYS 37 3HZ LYS 37 5.677 10.897 -0.341 312 HZ2 LYS 37 1HZ LYS 37 5.235 9.790 0.857 313 HZ3 LYS 37 2HZ LYS 37 4.331 11.195 0.640 314 H THR 38 H THR 38 -0.696 10.200 1.825 315 HA THR 38 HA THR 38 -0.984 12.771 0.662 316 HB THR 38 HB THR 38 -2.341 10.889 -1.137 317 HG1 THR 38 1HG THR 38 -0.558 9.713 -1.260 318 HG21 THR 38 3HG2 THR 38 -0.755 13.404 -1.443 319 HG22 THR 38 1HG2 THR 38 -2.448 13.095 -1.831 320 HG23 THR 38 2HG2 THR 38 -1.173 12.402 -2.835 321 H VAL 39 H VAL 39 -2.641 9.650 1.039 322 HA VAL 39 HA VAL 39 -4.531 9.109 2.218 323 HB VAL 39 HB VAL 39 -5.006 12.008 2.872 324 HG11 VAL 39 1HG1 VAL 39 -6.183 11.160 4.762 325 HG12 VAL 39 2HG1 VAL 39 -5.595 9.523 4.469 326 HG13 VAL 39 3HG1 VAL 39 -6.738 10.263 3.349 327 HG21 VAL 39 3HG2 VAL 39 -3.098 12.108 4.009 328 HG22 VAL 39 1HG2 VAL 39 -2.731 10.424 3.640 329 HG23 VAL 39 2HG2 VAL 39 -3.705 10.824 5.054 330 H GLU 40 H GLU 40 -4.944 8.947 -0.255 331 HA GLU 40 HA GLU 40 -7.614 9.638 -0.731 332 HB2 GLU 40 2HB GLU 40 -5.689 11.681 -1.454 333 HB3 GLU 40 1HB GLU 40 -6.569 11.106 -2.871 334 HG2 GLU 40 2HG GLU 40 -8.287 12.374 -2.309 335 HG3 GLU 40 1HG GLU 40 -8.453 11.484 -0.796 336 H GLY 41 H GLY 41 -8.311 8.035 -1.978 337 HA2 GLY 41 2HA GLY 41 -7.619 7.349 -4.504 338 HA3 GLY 41 1HA GLY 41 -6.410 6.499 -3.544 339 H VAL 42 H VAL 42 -7.727 4.819 -4.924 340 HA VAL 42 HA VAL 42 -10.018 3.861 -3.356 341 HB VAL 42 HB VAL 42 -9.166 2.824 -6.058 342 HG11 VAL 42 1HG1 VAL 42 -11.028 1.555 -6.023 343 HG12 VAL 42 2HG1 VAL 42 -11.978 2.780 -5.184 344 HG13 VAL 42 3HG1 VAL 42 -10.877 1.744 -4.277 345 HG21 VAL 42 3HG2 VAL 42 -10.563 5.310 -5.363 346 HG22 VAL 42 1HG2 VAL 42 -11.378 4.316 -6.572 347 HG23 VAL 42 2HG2 VAL 42 -9.721 4.856 -6.845 348 H TRP 43 H TRP 43 -9.410 2.545 -1.814 349 HA TRP 43 HA TRP 43 -7.027 1.054 -1.774 350 HB2 TRP 43 2HB TRP 43 -9.411 1.495 -0.100 351 HB3 TRP 43 1HB TRP 43 -8.611 -0.039 0.149 352 HD1 TRP 43 HD TRP 43 -7.880 3.746 0.272 353 HE1 TRP 43 1HE TRP 43 -5.985 4.177 1.945 354 HE3 TRP 43 3HE TRP 43 -6.661 -1.110 1.418 355 HZ2 TRP 43 2HZ TRP 43 -4.216 2.707 3.528 356 HZ3 TRP 43 3HZ TRP 43 -4.787 -1.488 3.082 357 HH2 TRP 43 HH TRP 43 -3.628 0.394 4.077 358 H THR 44 H THR 44 -6.709 -0.615 -3.127 359 HA THR 44 HA THR 44 -8.824 -2.660 -3.319 360 HB THR 44 HB THR 44 -8.104 -3.109 -5.635 361 HG1 THR 44 1HG THR 44 -6.356 -2.251 -6.381 362 HG21 THR 44 3HG2 THR 44 -8.525 -0.394 -6.234 363 HG22 THR 44 1HG2 THR 44 -9.483 -0.765 -4.800 364 HG23 THR 44 2HG2 THR 44 -9.692 -1.717 -6.270 365 H TYR 45 H TYR 45 -8.048 -4.849 -3.612 366 HA TYR 45 HA TYR 45 -5.198 -5.262 -3.147 367 HB2 TYR 45 2HB TYR 45 -5.651 -5.410 -0.915 368 HB3 TYR 45 1HB TYR 45 -7.335 -5.872 -1.165 369 HD1 TYR 45 1HD TYR 45 -7.814 -8.277 -1.870 370 HD2 TYR 45 2HD TYR 45 -4.025 -7.009 -0.404 371 HE1 TYR 45 1HE TYR 45 -7.239 -10.611 -1.350 372 HE2 TYR 45 2HE TYR 45 -3.442 -9.339 0.121 373 HH TYR 45 HH TYR 45 -4.244 -11.699 -0.840 374 H LYS 46 H LYS 46 -4.393 -7.197 -3.859 375 HA LYS 46 HA LYS 46 -6.295 -8.950 -5.272 376 HB2 LYS 46 2HB LYS 46 -3.439 -8.489 -6.127 377 HB3 LYS 46 1HB LYS 46 -4.732 -9.270 -7.036 378 HG2 LYS 46 2HG LYS 46 -5.309 -6.503 -6.275 379 HG3 LYS 46 1HG LYS 46 -3.923 -6.691 -7.351 380 HD2 LYS 46 2HD LYS 46 -6.654 -7.874 -7.845 381 HD3 LYS 46 1HD LYS 46 -6.073 -6.364 -8.550 382 HE2 LYS 46 2HE LYS 46 -4.091 -8.306 -9.038 383 HE3 LYS 46 1HE LYS 46 -5.640 -9.053 -9.425 384 HZ1 LYS 46 3HZ LYS 46 -5.006 -6.353 -10.415 385 HZ2 LYS 46 1HZ LYS 46 -6.080 -7.498 -11.050 386 HZ3 LYS 46 2HZ LYS 46 -4.412 -7.718 -11.229 387 H ASP 47 H ASP 47 -6.051 -11.133 -5.044 388 HA ASP 47 HA ASP 47 -4.403 -12.009 -2.834 389 HB2 ASP 47 2HB ASP 47 -6.609 -13.203 -4.455 390 HB3 ASP 47 1HB ASP 47 -5.534 -14.284 -3.567 391 H GLU 48 H GLU 48 -3.835 -11.615 -6.073 392 HA GLU 48 HA GLU 48 -2.612 -13.943 -6.929 393 HB2 GLU 48 2HB GLU 48 -1.616 -11.145 -7.543 394 HB3 GLU 48 1HB GLU 48 -1.280 -12.601 -8.469 395 HG2 GLU 48 2HG GLU 48 -3.461 -10.774 -8.712 396 HG3 GLU 48 1HG GLU 48 -3.009 -12.131 -9.746 397 H ILE 49 H ILE 49 -1.360 -11.477 -4.770 398 HA ILE 49 HA ILE 49 0.577 -13.268 -3.695 399 HB ILE 49 HB ILE 49 2.522 -11.634 -4.207 400 HG12 ILE 49 2HG1 ILE 49 1.550 -11.154 -6.879 401 HG13 ILE 49 1HG1 ILE 49 0.484 -10.401 -5.707 402 HG21 ILE 49 1HG2 ILE 49 3.319 -13.196 -5.610 403 HG22 ILE 49 2HG2 ILE 49 1.904 -13.131 -6.665 404 HG23 ILE 49 3HG2 ILE 49 1.847 -14.055 -5.164 405 HD11 ILE 49 3HD1 ILE 49 1.939 -8.705 -5.911 406 HD12 ILE 49 1HD1 ILE 49 3.252 -9.751 -6.448 407 HD13 ILE 49 2HD1 ILE 49 2.864 -9.638 -4.735 408 H LYS 50 H LYS 50 -1.589 -11.547 -2.797 409 HA LYS 50 HA LYS 50 -2.099 -10.109 -1.106 410 HB2 LYS 50 2HB LYS 50 0.711 -10.617 -0.128 411 HB3 LYS 50 1HB LYS 50 -0.683 -10.135 0.829 412 HG2 LYS 50 2HG LYS 50 -0.732 -12.710 -0.682 413 HG3 LYS 50 1HG LYS 50 0.118 -12.599 0.859 414 HD2 LYS 50 2HD LYS 50 -1.874 -11.979 2.005 415 HD3 LYS 50 1HD LYS 50 -2.747 -11.749 0.489 416 HE2 LYS 50 2HE LYS 50 -3.510 -13.826 0.883 417 HE3 LYS 50 1HE LYS 50 -1.947 -14.326 0.237 418 HZ1 LYS 50 3HZ LYS 50 -2.458 -13.852 3.121 419 HZ2 LYS 50 1HZ LYS 50 -1.081 -14.547 2.425 420 HZ3 LYS 50 2HZ LYS 50 -2.556 -15.373 2.389 421 H THR 51 H THR 51 -2.190 -8.312 -2.561 422 HA THR 51 HA THR 51 -0.218 -6.282 -1.897 423 HB THR 51 HB THR 51 -0.872 -7.034 -4.751 424 HG1 THR 51 1HG THR 51 1.516 -7.191 -3.234 425 HG21 THR 51 3HG2 THR 51 0.144 -4.561 -3.647 426 HG22 THR 51 1HG2 THR 51 -0.383 -4.940 -5.286 427 HG23 THR 51 2HG2 THR 51 1.269 -5.297 -4.787 428 H PHE 52 H PHE 52 -1.068 -4.321 -1.659 429 HA PHE 52 HA PHE 52 -3.877 -3.956 -2.445 430 HB2 PHE 52 2HB PHE 52 -2.504 -2.329 -0.321 431 HB3 PHE 52 1HB PHE 52 -4.226 -2.608 -0.551 432 HD1 PHE 52 2HD PHE 52 -1.083 -4.430 0.276 433 HD2 PHE 52 1HD PHE 52 -5.303 -4.167 0.760 434 HE1 PHE 52 2HE PHE 52 -1.004 -6.253 1.926 435 HE2 PHE 52 1HE PHE 52 -5.231 -5.987 2.413 436 HZ PHE 52 HZ PHE 52 -3.079 -7.033 2.997 437 H THR 53 H THR 53 -4.521 -1.739 -3.026 438 HA THR 53 HA THR 53 -2.355 -0.001 -3.886 439 HB THR 53 HB THR 53 -4.416 -1.142 -5.789 440 HG1 THR 53 1HG THR 53 -2.825 -2.281 -6.574 441 HG21 THR 53 3HG2 THR 53 -3.533 0.178 -7.547 442 HG22 THR 53 1HG2 THR 53 -2.273 0.850 -6.511 443 HG23 THR 53 2HG2 THR 53 -3.964 1.277 -6.239 444 H VAL 54 H VAL 54 -3.036 2.144 -4.405 445 HA VAL 54 HA VAL 54 -5.795 2.811 -3.667 446 HB VAL 54 HB VAL 54 -3.888 3.156 -1.811 447 HG11 VAL 54 1HG1 VAL 54 -3.057 5.392 -1.710 448 HG12 VAL 54 2HG1 VAL 54 -3.939 5.847 -3.167 449 HG13 VAL 54 3HG1 VAL 54 -2.590 4.717 -3.269 450 HG21 VAL 54 3HG2 VAL 54 -6.256 4.909 -2.399 451 HG22 VAL 54 1HG2 VAL 54 -5.347 4.987 -0.890 452 HG23 VAL 54 2HG2 VAL 54 -6.176 3.498 -1.344 453 H THR 55 H THR 55 -6.499 3.474 -5.603 454 HA THR 55 HA THR 55 -4.824 5.287 -7.183 455 HB THR 55 HB THR 55 -7.362 3.840 -7.960 456 HG1 THR 55 1HG THR 55 -5.625 2.420 -7.632 457 HG21 THR 55 3HG2 THR 55 -6.750 5.949 -9.252 458 HG22 THR 55 1HG2 THR 55 -7.001 4.466 -10.173 459 HG23 THR 55 2HG2 THR 55 -5.364 5.032 -9.843 460 H GLU 56 H GLU 56 -5.210 7.393 -7.234 461 HA GLU 56 HA GLU 56 -7.756 8.386 -6.165 462 HB2 GLU 56 2HB GLU 56 -5.735 9.208 -5.053 463 HB3 GLU 56 1HB GLU 56 -5.129 9.808 -6.585 464 HG2 GLU 56 2HG GLU 56 -7.391 11.145 -6.583 465 HG3 GLU 56 1HG GLU 56 -7.290 10.872 -4.844 Start of MODEL 12 1 H1 THR 1 1HT THR 1 4.550 -12.408 5.105 2 H2 THR 1 2HT THR 1 4.128 -14.024 4.709 3 H3 THR 1 3HT THR 1 3.082 -12.733 4.281 4 HA THR 1 HA THR 1 5.691 -13.456 3.160 5 HB THR 1 HB THR 1 4.068 -12.941 1.097 6 HG1 THR 1 1HG THR 1 1.992 -13.228 1.546 7 HG21 THR 1 1HG2 THR 1 3.306 -15.516 2.197 8 HG22 THR 1 2HG2 THR 1 5.048 -15.239 2.220 9 HG23 THR 1 3HG2 THR 1 4.156 -15.122 0.703 10 H THR 2 H THR 2 5.779 -11.927 1.002 11 HA THR 2 HA THR 2 6.298 -9.290 2.090 12 HB THR 2 HB THR 2 6.735 -9.995 -0.785 13 HG1 THR 2 1HG THR 2 8.694 -10.989 -0.185 14 HG21 THR 2 3HG2 THR 2 8.993 -8.847 0.462 15 HG22 THR 2 1HG2 THR 2 7.576 -7.913 0.943 16 HG23 THR 2 2HG2 THR 2 7.939 -8.148 -0.767 17 H TYR 3 H TYR 3 4.475 -8.109 2.298 18 HA TYR 3 HA TYR 3 2.400 -8.154 0.298 19 HB2 TYR 3 2HB TYR 3 2.736 -6.368 2.719 20 HB3 TYR 3 1HB TYR 3 1.278 -6.507 1.735 21 HD1 TYR 3 2HD TYR 3 3.514 -8.388 4.024 22 HD2 TYR 3 1HD TYR 3 -0.296 -8.217 2.135 23 HE1 TYR 3 2HE TYR 3 2.734 -10.237 5.444 24 HE2 TYR 3 1HE TYR 3 -1.086 -10.066 3.551 25 HH TYR 3 HH TYR 3 1.004 -11.987 5.401 26 H LYS 4 H LYS 4 1.758 -6.418 -1.017 27 HA LYS 4 HA LYS 4 3.762 -4.285 -1.356 28 HB2 LYS 4 2HB LYS 4 2.762 -6.255 -3.305 29 HB3 LYS 4 1HB LYS 4 2.755 -4.590 -3.880 30 HG2 LYS 4 2HG LYS 4 5.183 -4.508 -3.058 31 HG3 LYS 4 1HG LYS 4 5.077 -6.269 -3.016 32 HD2 LYS 4 2HD LYS 4 5.985 -5.676 -5.133 33 HD3 LYS 4 1HD LYS 4 4.316 -6.178 -5.409 34 HE2 LYS 4 2HE LYS 4 4.011 -3.511 -4.985 35 HE3 LYS 4 1HE LYS 4 5.590 -3.557 -5.767 36 HZ1 LYS 4 3HZ LYS 4 2.962 -4.209 -6.845 37 HZ2 LYS 4 1HZ LYS 4 4.252 -5.172 -7.367 38 HZ3 LYS 4 2HZ LYS 4 4.298 -3.498 -7.602 39 H LEU 5 H LEU 5 3.019 -2.305 -2.144 40 HA LEU 5 HA LEU 5 0.119 -1.932 -2.216 41 HB2 LEU 5 2HB LEU 5 0.506 -1.338 -0.006 42 HB3 LEU 5 1HB LEU 5 2.078 -0.632 -0.372 43 HG LEU 5 HG LEU 5 1.032 1.320 -1.343 44 HD11 LEU 5 1HD1 LEU 5 -1.664 0.161 -0.699 45 HD12 LEU 5 2HD1 LEU 5 -0.915 -0.004 -2.287 46 HD13 LEU 5 3HD1 LEU 5 -1.286 1.597 -1.648 47 HD21 LEU 5 3HD2 LEU 5 1.191 1.848 0.853 48 HD22 LEU 5 1HD2 LEU 5 0.270 0.436 1.372 49 HD23 LEU 5 2HD2 LEU 5 -0.570 1.849 0.732 50 H ILE 6 H ILE 6 -0.375 -0.972 -4.069 51 HA ILE 6 HA ILE 6 1.628 0.700 -5.395 52 HB ILE 6 HB ILE 6 -0.946 -0.377 -6.523 53 HG12 ILE 6 2HG1 ILE 6 0.626 -2.172 -5.908 54 HG13 ILE 6 1HG1 ILE 6 0.415 -2.046 -7.653 55 HG21 ILE 6 1HG2 ILE 6 0.623 0.089 -8.649 56 HG22 ILE 6 2HG2 ILE 6 1.187 1.361 -7.565 57 HG23 ILE 6 3HG2 ILE 6 -0.519 1.268 -8.006 58 HD11 ILE 6 3HD1 ILE 6 2.802 -1.934 -6.133 59 HD12 ILE 6 1HD1 ILE 6 2.571 -0.382 -6.937 60 HD13 ILE 6 2HD1 ILE 6 2.597 -1.868 -7.884 61 H LEU 7 H LEU 7 1.512 2.808 -5.065 62 HA LEU 7 HA LEU 7 -1.105 4.020 -4.500 63 HB2 LEU 7 2HB LEU 7 1.560 5.351 -4.092 64 HB3 LEU 7 1HB LEU 7 0.011 5.756 -3.360 65 HG LEU 7 HG LEU 7 1.305 3.116 -2.772 66 HD11 LEU 7 1HD1 LEU 7 2.853 3.951 -1.384 67 HD12 LEU 7 2HD1 LEU 7 1.805 5.261 -0.840 68 HD13 LEU 7 3HD1 LEU 7 2.694 5.414 -2.355 69 HD21 LEU 7 3HD2 LEU 7 -1.012 3.500 -2.080 70 HD22 LEU 7 1HD2 LEU 7 -0.505 4.933 -1.186 71 HD23 LEU 7 2HD2 LEU 7 0.063 3.339 -0.691 72 H ASN 8 H ASN 8 -2.032 5.274 -5.973 73 HA ASN 8 HA ASN 8 -0.359 6.356 -8.144 74 HB2 ASN 8 2HB ASN 8 -2.073 4.507 -8.703 75 HB3 ASN 8 1HB ASN 8 -3.293 5.747 -8.426 76 HD21 ASN 8 1HD2 ASN 8 -0.103 5.936 -9.969 77 HD22 ASN 8 2HD2 ASN 8 -0.695 6.513 -11.481 78 H LEU 9 H LEU 9 -0.168 8.484 -8.037 79 HA LEU 9 HA LEU 9 -2.403 10.045 -6.918 80 HB2 LEU 9 2HB LEU 9 0.484 10.907 -7.043 81 HB3 LEU 9 1HB LEU 9 -0.829 11.678 -6.161 82 HG LEU 9 HG LEU 9 -0.612 8.990 -5.229 83 HD11 LEU 9 1HD1 LEU 9 1.572 8.597 -5.653 84 HD12 LEU 9 2HD1 LEU 9 1.791 9.577 -4.204 85 HD13 LEU 9 3HD1 LEU 9 1.966 10.313 -5.795 86 HD21 LEU 9 3HD2 LEU 9 -0.051 10.168 -3.101 87 HD22 LEU 9 1HD2 LEU 9 -1.507 10.763 -3.897 88 HD23 LEU 9 2HD2 LEU 9 -0.004 11.680 -4.008 89 H LYS 10 H LYS 10 -2.094 12.482 -7.702 90 HA LYS 10 HA LYS 10 -2.262 12.349 -10.615 91 HB2 LYS 10 2HB LYS 10 -2.993 14.600 -8.738 92 HB3 LYS 10 1HB LYS 10 -3.339 14.538 -10.463 93 HG2 LYS 10 2HG LYS 10 -5.126 13.203 -10.178 94 HG3 LYS 10 1HG LYS 10 -4.348 12.253 -8.913 95 HD2 LYS 10 2HD LYS 10 -5.471 13.369 -7.351 96 HD3 LYS 10 1HD LYS 10 -4.805 14.896 -7.930 97 HE2 LYS 10 2HE LYS 10 -7.323 13.516 -8.836 98 HE3 LYS 10 1HE LYS 10 -7.179 15.075 -8.019 99 HZ1 LYS 10 3HZ LYS 10 -6.827 14.420 -10.820 100 HZ2 LYS 10 1HZ LYS 10 -5.688 15.501 -10.186 101 HZ3 LYS 10 2HZ LYS 10 -7.338 15.864 -10.100 102 H GLN 11 H GLN 11 0.309 12.078 -9.802 103 HA GLN 11 HA GLN 11 1.590 14.247 -11.121 104 HB2 GLN 11 2HB GLN 11 1.272 14.472 -8.275 105 HB3 GLN 11 1HB GLN 11 2.989 14.286 -8.654 106 HG2 GLN 11 2HG GLN 11 1.859 16.155 -10.493 107 HG3 GLN 11 1HG GLN 11 1.344 16.602 -8.864 108 HE21 GLN 11 1HE2 GLN 11 4.018 16.256 -11.037 109 HE22 GLN 11 2HE2 GLN 11 5.195 17.046 -10.050 110 H ALA 12 H ALA 12 1.966 11.517 -8.908 111 HA ALA 12 HA ALA 12 3.879 10.294 -10.690 112 HB1 ALA 12 1HB ALA 12 5.767 10.312 -9.364 113 HB2 ALA 12 2HB ALA 12 4.858 10.643 -7.889 114 HB3 ALA 12 3HB ALA 12 5.117 11.917 -9.072 115 H LYS 13 H LYS 13 4.884 8.321 -9.125 116 HA LYS 13 HA LYS 13 2.569 7.064 -7.833 117 HB2 LYS 13 2HB LYS 13 3.042 4.946 -8.975 118 HB3 LYS 13 1HB LYS 13 2.641 6.212 -10.120 119 HG2 LYS 13 2HG LYS 13 5.304 6.473 -10.107 120 HG3 LYS 13 1HG LYS 13 5.172 4.759 -9.712 121 HD2 LYS 13 2HD LYS 13 3.406 5.596 -11.883 122 HD3 LYS 13 1HD LYS 13 5.120 5.821 -12.239 123 HE2 LYS 13 2HE LYS 13 3.884 3.255 -11.251 124 HE3 LYS 13 1HE LYS 13 4.251 3.612 -12.932 125 HZ1 LYS 13 3HZ LYS 13 6.455 3.334 -12.605 126 HZ2 LYS 13 1HZ LYS 13 5.929 2.341 -11.344 127 HZ3 LYS 13 2HZ LYS 13 6.430 3.926 -11.027 128 H GLU 14 H GLU 14 3.054 6.195 -5.925 129 HA GLU 14 HA GLU 14 5.895 5.727 -5.301 130 HB2 GLU 14 2HB GLU 14 3.714 7.015 -3.834 131 HB3 GLU 14 1HB GLU 14 4.570 5.810 -2.871 132 HG2 GLU 14 2HG GLU 14 5.990 7.460 -2.409 133 HG3 GLU 14 1HG GLU 14 6.627 7.180 -4.030 134 H GLU 15 H GLU 15 6.539 3.772 -4.542 135 HA GLU 15 HA GLU 15 4.470 1.687 -4.374 136 HB2 GLU 15 2HB GLU 15 7.377 1.566 -5.159 137 HB3 GLU 15 1HB GLU 15 6.446 0.123 -4.773 138 HG2 GLU 15 2HG GLU 15 4.792 1.095 -6.559 139 HG3 GLU 15 1HG GLU 15 6.228 1.957 -7.106 140 H ALA 16 H ALA 16 4.025 0.937 -2.431 141 HA ALA 16 HA ALA 16 6.069 1.144 -0.322 142 HB1 ALA 16 1HB ALA 16 4.131 2.428 0.248 143 HB2 ALA 16 2HB ALA 16 4.145 0.985 1.261 144 HB3 ALA 16 3HB ALA 16 3.062 1.077 -0.128 145 H ILE 17 H ILE 17 6.810 -0.672 0.620 146 HA ILE 17 HA ILE 17 5.297 -3.155 0.331 147 HB ILE 17 HB ILE 17 7.117 -4.416 -0.553 148 HG12 ILE 17 2HG1 ILE 17 8.960 -3.280 0.609 149 HG13 ILE 17 1HG1 ILE 17 9.291 -3.418 -1.114 150 HG21 ILE 17 1HG2 ILE 17 5.693 -2.862 -2.057 151 HG22 ILE 17 2HG2 ILE 17 7.113 -3.655 -2.737 152 HG23 ILE 17 3HG2 ILE 17 7.196 -1.959 -2.257 153 HD11 ILE 17 3HD1 ILE 17 8.109 -0.982 -1.000 154 HD12 ILE 17 1HD1 ILE 17 9.849 -1.262 -0.938 155 HD13 ILE 17 2HD1 ILE 17 8.938 -1.043 0.555 156 H LYS 18 H LYS 18 6.127 -4.912 1.666 157 HA LYS 18 HA LYS 18 8.065 -4.440 3.688 158 HB2 LYS 18 2HB LYS 18 6.549 -3.021 4.767 159 HB3 LYS 18 1HB LYS 18 5.161 -4.015 4.324 160 HG2 LYS 18 2HG LYS 18 5.414 -5.390 6.103 161 HG3 LYS 18 1HG LYS 18 7.174 -5.275 6.084 162 HD2 LYS 18 2HD LYS 18 6.606 -2.767 6.796 163 HD3 LYS 18 1HD LYS 18 5.168 -3.562 7.437 164 HE2 LYS 18 2HE LYS 18 6.463 -3.897 9.246 165 HE3 LYS 18 1HE LYS 18 7.092 -5.248 8.305 166 HZ1 LYS 18 3HZ LYS 18 8.791 -3.738 9.309 167 HZ2 LYS 18 1HZ LYS 18 8.292 -2.538 8.230 168 HZ3 LYS 18 2HZ LYS 18 8.950 -3.980 7.643 169 H GLU 19 H GLU 19 8.483 -6.296 4.931 170 HA GLU 19 HA GLU 19 7.089 -8.713 3.988 171 HB2 GLU 19 2HB GLU 19 9.849 -8.626 5.181 172 HB3 GLU 19 1HB GLU 19 9.098 -9.938 4.282 173 HG2 GLU 19 2HG GLU 19 9.007 -8.008 2.427 174 HG3 GLU 19 1HG GLU 19 10.437 -7.495 3.320 175 H ALA 20 H ALA 20 5.690 -9.444 5.444 176 HA ALA 20 HA ALA 20 6.560 -9.672 8.234 177 HB1 ALA 20 1HB ALA 20 4.828 -8.516 9.138 178 HB2 ALA 20 2HB ALA 20 3.729 -8.906 7.815 179 HB3 ALA 20 3HB ALA 20 4.947 -7.646 7.609 180 H VAL 21 H VAL 21 5.589 -11.360 9.404 181 HA VAL 21 HA VAL 21 5.025 -13.687 7.958 182 HB VAL 21 HB VAL 21 4.285 -14.652 10.123 183 HG11 VAL 21 1HG1 VAL 21 6.736 -13.115 10.784 184 HG12 VAL 21 2HG1 VAL 21 6.760 -14.124 9.336 185 HG13 VAL 21 3HG1 VAL 21 6.414 -14.844 10.909 186 HG21 VAL 21 3HG2 VAL 21 4.357 -11.781 10.912 187 HG22 VAL 21 1HG2 VAL 21 4.796 -13.001 12.107 188 HG23 VAL 21 2HG2 VAL 21 3.206 -13.042 11.348 189 H ASP 22 H ASP 22 2.827 -11.472 9.666 190 HA ASP 22 HA ASP 22 0.560 -12.843 8.396 191 HB2 ASP 22 2HB ASP 22 -0.842 -11.841 10.121 192 HB3 ASP 22 1HB ASP 22 0.500 -12.702 10.865 193 H ALA 23 H ALA 23 -1.352 -10.851 8.542 194 HA ALA 23 HA ALA 23 -0.346 -8.972 6.526 195 HB1 ALA 23 1HB ALA 23 -3.114 -9.973 7.134 196 HB2 ALA 23 2HB ALA 23 -2.158 -10.227 5.674 197 HB3 ALA 23 3HB ALA 23 -2.798 -8.625 6.043 198 H GLY 24 H GLY 24 -1.970 -9.150 9.634 199 HA2 GLY 24 2HA GLY 24 -2.926 -6.592 9.962 200 HA3 GLY 24 1HA GLY 24 -2.229 -7.543 11.267 201 H THR 25 H THR 25 0.398 -7.662 9.978 202 HA THR 25 HA THR 25 1.425 -5.165 10.988 203 HB THR 25 HB THR 25 3.085 -7.222 9.561 204 HG1 THR 25 1HG THR 25 2.142 -7.416 12.229 205 HG21 THR 25 3HG2 THR 25 3.679 -4.943 11.089 206 HG22 THR 25 1HG2 THR 25 4.795 -6.152 10.453 207 HG23 THR 25 2HG2 THR 25 4.115 -6.343 12.069 208 H ALA 26 H ALA 26 0.780 -6.625 7.889 209 HA ALA 26 HA ALA 26 2.333 -4.743 6.375 210 HB1 ALA 26 1HB ALA 26 0.648 -5.767 4.544 211 HB2 ALA 26 2HB ALA 26 0.551 -7.020 5.782 212 HB3 ALA 26 3HB ALA 26 2.113 -6.586 5.086 213 H GLU 27 H GLU 27 -1.082 -5.141 7.209 214 HA GLU 27 HA GLU 27 -2.056 -2.981 5.669 215 HB2 GLU 27 2HB GLU 27 -3.523 -4.736 6.548 216 HB3 GLU 27 1HB GLU 27 -3.180 -4.217 8.192 217 HG2 GLU 27 2HG GLU 27 -4.955 -2.905 8.064 218 HG3 GLU 27 1HG GLU 27 -4.069 -1.921 6.898 219 H LYS 28 H LYS 28 -1.476 -3.197 9.186 220 HA LYS 28 HA LYS 28 -1.895 -0.513 9.785 221 HB2 LYS 28 2HB LYS 28 -0.659 -2.815 11.096 222 HB3 LYS 28 1HB LYS 28 0.068 -1.286 11.572 223 HG2 LYS 28 2HG LYS 28 -2.861 -1.278 11.547 224 HG3 LYS 28 1HG LYS 28 -2.135 -2.389 12.711 225 HD2 LYS 28 2HD LYS 28 -0.664 -0.405 13.396 226 HD3 LYS 28 1HD LYS 28 -1.817 0.590 12.506 227 HE2 LYS 28 2HE LYS 28 -3.375 0.417 14.105 228 HE3 LYS 28 1HE LYS 28 -3.079 -1.306 14.332 229 HZ1 LYS 28 3HZ LYS 28 -1.007 0.476 15.315 230 HZ2 LYS 28 1HZ LYS 28 -1.646 -0.928 16.007 231 HZ3 LYS 28 2HZ LYS 28 -2.477 0.537 16.147 232 H TYR 29 H TYR 29 1.060 -2.156 8.736 233 HA TYR 29 HA TYR 29 2.740 0.127 9.018 234 HB2 TYR 29 2HB TYR 29 3.764 -2.060 8.997 235 HB3 TYR 29 1HB TYR 29 3.071 -2.421 7.413 236 HD1 TYR 29 1HD TYR 29 3.913 -1.138 5.409 237 HD2 TYR 29 2HD TYR 29 5.827 -0.948 9.204 238 HE1 TYR 29 1HE TYR 29 5.946 -0.270 4.334 239 HE2 TYR 29 2HE TYR 29 7.866 -0.080 8.139 240 HH TYR 29 HH TYR 29 8.309 -0.087 4.736 241 H PHE 30 H PHE 30 1.031 -1.338 6.270 242 HA PHE 30 HA PHE 30 1.939 0.468 4.310 243 HB2 PHE 30 2HB PHE 30 -0.346 -1.441 4.538 244 HB3 PHE 30 1HB PHE 30 -0.425 -0.215 3.276 245 HD1 PHE 30 1HD PHE 30 2.965 -0.891 3.726 246 HD2 PHE 30 2HD PHE 30 -0.578 -2.614 2.112 247 HE1 PHE 30 1HE PHE 30 4.331 -2.319 2.260 248 HE2 PHE 30 2HE PHE 30 0.786 -4.045 0.644 249 HZ PHE 30 HZ PHE 30 3.241 -3.896 0.718 250 H LYS 31 H LYS 31 -0.900 0.481 6.422 251 HA LYS 31 HA LYS 31 -2.149 2.763 5.415 252 HB2 LYS 31 2HB LYS 31 -2.934 1.033 7.189 253 HB3 LYS 31 1HB LYS 31 -2.169 2.116 8.345 254 HG2 LYS 31 2HG LYS 31 -3.749 3.752 6.717 255 HG3 LYS 31 1HG LYS 31 -4.727 2.325 7.059 256 HD2 LYS 31 2HD LYS 31 -3.280 3.408 9.374 257 HD3 LYS 31 1HD LYS 31 -4.504 4.485 8.699 258 HE2 LYS 31 2HE LYS 31 -6.217 3.146 9.322 259 HE3 LYS 31 1HE LYS 31 -5.304 1.666 9.034 260 HZ1 LYS 31 3HZ LYS 31 -5.922 2.515 11.453 261 HZ2 LYS 31 1HZ LYS 31 -4.444 3.321 11.272 262 HZ3 LYS 31 2HZ LYS 31 -4.513 1.637 11.134 263 H LEU 32 H LEU 32 0.597 2.446 7.578 264 HA LEU 32 HA LEU 32 0.574 5.156 8.470 265 HB2 LEU 32 2HB LEU 32 2.700 3.021 8.535 266 HB3 LEU 32 1HB LEU 32 2.889 4.611 9.259 267 HG LEU 32 HG LEU 32 1.738 2.262 10.386 268 HD11 LEU 32 1HD1 LEU 32 2.162 5.077 11.338 269 HD12 LEU 32 2HD1 LEU 32 3.183 3.665 11.620 270 HD13 LEU 32 3HD1 LEU 32 1.598 3.775 12.387 271 HD21 LEU 32 3HD2 LEU 32 -0.362 3.237 11.281 272 HD22 LEU 32 1HD2 LEU 32 -0.424 2.900 9.553 273 HD23 LEU 32 2HD2 LEU 32 -0.203 4.555 10.122 274 H ILE 33 H ILE 33 2.236 3.399 5.883 275 HA ILE 33 HA ILE 33 3.837 5.673 5.144 276 HB ILE 33 HB ILE 33 4.663 3.394 4.763 277 HG12 ILE 33 2HG1 ILE 33 5.329 3.699 2.351 278 HG13 ILE 33 1HG1 ILE 33 4.223 5.066 2.283 279 HG21 ILE 33 1HG2 ILE 33 2.401 3.197 2.783 280 HG22 ILE 33 2HG2 ILE 33 2.596 2.265 4.267 281 HG23 ILE 33 3HG2 ILE 33 3.722 2.038 2.932 282 HD11 ILE 33 3HD1 ILE 33 6.392 4.951 4.336 283 HD12 ILE 33 1HD1 ILE 33 5.533 6.352 3.698 284 HD13 ILE 33 2HD1 ILE 33 6.713 5.511 2.694 285 H ALA 34 H ALA 34 0.889 4.123 3.981 286 HA ALA 34 HA ALA 34 0.579 5.587 1.610 287 HB1 ALA 34 1HB ALA 34 -0.742 3.622 1.980 288 HB2 ALA 34 2HB ALA 34 -1.836 4.996 1.822 289 HB3 ALA 34 3HB ALA 34 -1.482 4.329 3.416 290 H ASN 35 H ASN 35 -1.019 6.109 4.759 291 HA ASN 35 HA ASN 35 -2.210 8.550 4.123 292 HB2 ASN 35 2HB ASN 35 -1.710 6.992 6.537 293 HB3 ASN 35 1HB ASN 35 -1.660 8.726 6.841 294 HD21 ASN 35 1HD2 ASN 35 -3.612 7.130 4.386 295 HD22 ASN 35 2HD2 ASN 35 -5.138 7.516 5.093 296 H ALA 36 H ALA 36 1.021 7.842 5.364 297 HA ALA 36 HA ALA 36 1.706 10.580 5.822 298 HB1 ALA 36 1HB ALA 36 3.685 8.357 5.448 299 HB2 ALA 36 2HB ALA 36 2.730 8.514 6.921 300 HB3 ALA 36 3HB ALA 36 3.826 9.808 6.439 301 H LYS 37 H LYS 37 1.647 8.558 3.037 302 HA LYS 37 HA LYS 37 3.258 10.537 1.564 303 HB2 LYS 37 2HB LYS 37 2.801 7.648 0.814 304 HB3 LYS 37 1HB LYS 37 3.853 8.791 -0.007 305 HG2 LYS 37 2HG LYS 37 4.628 8.706 2.718 306 HG3 LYS 37 1HG LYS 37 4.456 7.046 2.146 307 HD2 LYS 37 2HD LYS 37 6.727 7.847 1.786 308 HD3 LYS 37 1HD LYS 37 5.918 7.556 0.245 309 HE2 LYS 37 2HE LYS 37 7.226 9.659 0.284 310 HE3 LYS 37 1HE LYS 37 5.512 9.907 -0.048 311 HZ1 LYS 37 3HZ LYS 37 6.852 11.307 1.748 312 HZ2 LYS 37 1HZ LYS 37 6.328 10.054 2.743 313 HZ3 LYS 37 2HZ LYS 37 5.199 10.978 1.897 314 H THR 38 H THR 38 0.184 10.000 2.155 315 HA THR 38 HA THR 38 -0.713 11.154 -0.293 316 HB THR 38 HB THR 38 -2.011 8.514 0.235 317 HG1 THR 38 1HG THR 38 0.282 8.814 -1.398 318 HG21 THR 38 3HG2 THR 38 -3.185 9.346 -1.478 319 HG22 THR 38 1HG2 THR 38 -1.828 8.758 -2.438 320 HG23 THR 38 2HG2 THR 38 -1.901 10.455 -1.959 321 H VAL 39 H VAL 39 -3.221 11.218 -0.296 322 HA VAL 39 HA VAL 39 -4.435 11.089 2.328 323 HB VAL 39 HB VAL 39 -5.170 13.475 2.260 324 HG11 VAL 39 1HG1 VAL 39 -3.319 14.247 3.423 325 HG12 VAL 39 2HG1 VAL 39 -2.181 13.398 2.378 326 HG13 VAL 39 3HG1 VAL 39 -3.149 12.500 3.546 327 HG21 VAL 39 3HG2 VAL 39 -4.283 13.493 -0.285 328 HG22 VAL 39 1HG2 VAL 39 -2.899 14.219 0.535 329 HG23 VAL 39 2HG2 VAL 39 -4.497 14.950 0.690 330 H GLU 40 H GLU 40 -4.795 10.013 -0.441 331 HA GLU 40 HA GLU 40 -7.584 9.964 -0.530 332 HB2 GLU 40 2HB GLU 40 -6.774 12.390 -1.426 333 HB3 GLU 40 1HB GLU 40 -6.763 11.470 -2.932 334 HG2 GLU 40 2HG GLU 40 -8.913 12.068 -3.045 335 HG3 GLU 40 1HG GLU 40 -9.157 10.743 -1.908 336 H GLY 41 H GLY 41 -8.211 8.255 -1.725 337 HA2 GLY 41 2HA GLY 41 -7.263 7.436 -4.190 338 HA3 GLY 41 1HA GLY 41 -6.220 6.654 -3.004 339 H VAL 42 H VAL 42 -7.589 5.025 -4.601 340 HA VAL 42 HA VAL 42 -9.904 4.136 -3.026 341 HB VAL 42 HB VAL 42 -10.417 4.603 -5.387 342 HG11 VAL 42 1HG1 VAL 42 -8.123 3.963 -6.189 343 HG12 VAL 42 2HG1 VAL 42 -9.465 3.383 -7.172 344 HG13 VAL 42 3HG1 VAL 42 -8.638 2.284 -6.068 345 HG21 VAL 42 3HG2 VAL 42 -10.640 1.666 -5.314 346 HG22 VAL 42 1HG2 VAL 42 -11.889 2.898 -5.504 347 HG23 VAL 42 2HG2 VAL 42 -11.262 2.518 -3.900 348 H TRP 43 H TRP 43 -9.345 2.697 -1.609 349 HA TRP 43 HA TRP 43 -7.048 1.103 -1.688 350 HB2 TRP 43 2HB TRP 43 -9.455 1.452 0.003 351 HB3 TRP 43 1HB TRP 43 -8.599 -0.061 0.182 352 HD1 TRP 43 HD TRP 43 -8.019 3.739 0.491 353 HE1 TRP 43 1HE TRP 43 -6.124 4.165 2.162 354 HE3 TRP 43 3HE TRP 43 -6.586 -1.114 1.370 355 HZ2 TRP 43 2HZ TRP 43 -4.274 2.689 3.652 356 HZ3 TRP 43 3HZ TRP 43 -4.677 -1.500 2.991 357 HH2 TRP 43 HH TRP 43 -3.585 0.377 4.073 358 H THR 44 H THR 44 -6.695 -0.803 -2.612 359 HA THR 44 HA THR 44 -8.892 -2.652 -3.105 360 HB THR 44 HB THR 44 -7.601 -2.940 -5.466 361 HG1 THR 44 1HG THR 44 -6.361 -0.991 -4.883 362 HG21 THR 44 3HG2 THR 44 -9.911 -2.779 -5.568 363 HG22 THR 44 1HG2 THR 44 -9.354 -1.352 -6.439 364 HG23 THR 44 2HG2 THR 44 -9.934 -1.202 -4.780 365 H TYR 45 H TYR 45 -8.095 -4.833 -3.676 366 HA TYR 45 HA TYR 45 -5.268 -5.273 -3.129 367 HB2 TYR 45 2HB TYR 45 -5.713 -5.743 -0.968 368 HB3 TYR 45 1HB TYR 45 -7.437 -5.968 -1.260 369 HD1 TYR 45 2HD TYR 45 -8.167 -8.208 -2.291 370 HD2 TYR 45 1HD TYR 45 -4.322 -7.571 -0.583 371 HE1 TYR 45 2HE TYR 45 -7.882 -10.638 -2.040 372 HE2 TYR 45 1HE TYR 45 -4.028 -9.998 -0.325 373 HH TYR 45 HH TYR 45 -6.307 -12.135 -0.289 374 H LYS 46 H LYS 46 -4.424 -7.205 -3.893 375 HA LYS 46 HA LYS 46 -6.226 -8.742 -5.647 376 HB2 LYS 46 2HB LYS 46 -4.374 -7.160 -6.666 377 HB3 LYS 46 1HB LYS 46 -3.308 -8.506 -6.259 378 HG2 LYS 46 2HG LYS 46 -4.057 -9.761 -7.943 379 HG3 LYS 46 1HG LYS 46 -5.740 -9.307 -7.660 380 HD2 LYS 46 2HD LYS 46 -4.997 -8.535 -9.844 381 HD3 LYS 46 1HD LYS 46 -5.345 -7.169 -8.795 382 HE2 LYS 46 2HE LYS 46 -3.340 -6.523 -9.718 383 HE3 LYS 46 1HE LYS 46 -2.800 -7.312 -8.237 384 HZ1 LYS 46 3HZ LYS 46 -1.465 -8.404 -9.648 385 HZ2 LYS 46 1HZ LYS 46 -2.450 -8.121 -10.996 386 HZ3 LYS 46 2HZ LYS 46 -2.825 -9.372 -9.923 387 H ASP 47 H ASP 47 -6.136 -10.886 -5.589 388 HA ASP 47 HA ASP 47 -4.705 -12.097 -3.388 389 HB2 ASP 47 2HB ASP 47 -6.014 -14.128 -4.055 390 HB3 ASP 47 1HB ASP 47 -7.002 -12.731 -3.644 391 H GLU 48 H GLU 48 -2.868 -13.141 -3.540 392 HA GLU 48 HA GLU 48 -2.002 -15.025 -5.282 393 HB2 GLU 48 2HB GLU 48 -0.387 -13.660 -6.756 394 HB3 GLU 48 1HB GLU 48 -2.077 -13.728 -7.227 395 HG2 GLU 48 2HG GLU 48 -1.997 -11.495 -5.649 396 HG3 GLU 48 1HG GLU 48 -0.431 -11.453 -6.450 397 H ILE 49 H ILE 49 -0.533 -11.925 -4.301 398 HA ILE 49 HA ILE 49 1.245 -13.412 -2.501 399 HB ILE 49 HB ILE 49 3.082 -11.839 -3.075 400 HG12 ILE 49 2HG1 ILE 49 2.278 -11.046 -5.677 401 HG13 ILE 49 1HG1 ILE 49 0.981 -10.581 -4.580 402 HG21 ILE 49 1HG2 ILE 49 2.513 -14.160 -4.208 403 HG22 ILE 49 2HG2 ILE 49 3.875 -13.173 -4.732 404 HG23 ILE 49 3HG2 ILE 49 2.362 -13.145 -5.642 405 HD11 ILE 49 3HD1 ILE 49 3.723 -9.545 -4.823 406 HD12 ILE 49 1HD1 ILE 49 3.095 -9.705 -3.183 407 HD13 ILE 49 2HD1 ILE 49 2.227 -8.727 -4.368 408 H LYS 50 H LYS 50 -1.251 -11.760 -2.237 409 HA LYS 50 HA LYS 50 -2.140 -10.242 -0.803 410 HB2 LYS 50 2HB LYS 50 0.505 -10.261 0.643 411 HB3 LYS 50 1HB LYS 50 -1.086 -9.917 1.305 412 HG2 LYS 50 2HG LYS 50 -0.859 -12.570 0.105 413 HG3 LYS 50 1HG LYS 50 0.218 -12.304 1.477 414 HD2 LYS 50 2HD LYS 50 -1.489 -12.166 2.960 415 HD3 LYS 50 1HD LYS 50 -2.567 -11.379 1.806 416 HE2 LYS 50 2HE LYS 50 -3.625 -13.357 1.769 417 HE3 LYS 50 1HE LYS 50 -2.310 -13.850 0.702 418 HZ1 LYS 50 3HZ LYS 50 -2.297 -14.198 3.651 419 HZ2 LYS 50 1HZ LYS 50 -1.143 -14.780 2.558 420 HZ3 LYS 50 2HZ LYS 50 -2.713 -15.410 2.547 421 H THR 51 H THR 51 -2.194 -8.636 -2.460 422 HA THR 51 HA THR 51 -0.295 -6.455 -1.948 423 HB THR 51 HB THR 51 0.499 -7.403 -3.980 424 HG1 THR 51 1HG THR 51 -1.183 -5.254 -4.737 425 HG21 THR 51 3HG2 THR 51 -1.275 -8.782 -4.718 426 HG22 THR 51 1HG2 THR 51 -0.981 -7.593 -5.986 427 HG23 THR 51 2HG2 THR 51 -2.358 -7.403 -4.901 428 H PHE 52 H PHE 52 -1.101 -4.421 -1.961 429 HA PHE 52 HA PHE 52 -3.972 -4.115 -2.528 430 HB2 PHE 52 2HB PHE 52 -2.575 -2.490 -0.423 431 HB3 PHE 52 1HB PHE 52 -4.297 -2.794 -0.616 432 HD1 PHE 52 2HD PHE 52 -1.101 -4.536 0.159 433 HD2 PHE 52 1HD PHE 52 -5.323 -4.414 0.671 434 HE1 PHE 52 2HE PHE 52 -0.951 -6.366 1.795 435 HE2 PHE 52 1HE PHE 52 -5.182 -6.245 2.308 436 HZ PHE 52 HZ PHE 52 -2.993 -7.224 2.871 437 H THR 53 H THR 53 -4.612 -1.839 -3.023 438 HA THR 53 HA THR 53 -2.439 -0.148 -3.957 439 HB THR 53 HB THR 53 -4.595 -1.233 -5.784 440 HG1 THR 53 1HG THR 53 -1.895 -1.717 -5.445 441 HG21 THR 53 3HG2 THR 53 -3.885 0.139 -7.538 442 HG22 THR 53 1HG2 THR 53 -2.470 0.705 -6.651 443 HG23 THR 53 2HG2 THR 53 -4.086 1.227 -6.167 444 H VAL 54 H VAL 54 -3.030 2.021 -4.334 445 HA VAL 54 HA VAL 54 -5.752 2.799 -3.562 446 HB VAL 54 HB VAL 54 -3.871 2.956 -1.673 447 HG11 VAL 54 1HG1 VAL 54 -3.678 5.691 -2.921 448 HG12 VAL 54 2HG1 VAL 54 -2.428 4.457 -3.068 449 HG13 VAL 54 3HG1 VAL 54 -2.850 5.100 -1.482 450 HG21 VAL 54 3HG2 VAL 54 -5.319 5.300 -1.244 451 HG22 VAL 54 1HG2 VAL 54 -5.728 3.672 -0.704 452 HG23 VAL 54 2HG2 VAL 54 -6.364 4.279 -2.232 453 H THR 55 H THR 55 -6.450 3.669 -5.402 454 HA THR 55 HA THR 55 -4.678 5.525 -6.842 455 HB THR 55 HB THR 55 -7.179 4.334 -8.002 456 HG1 THR 55 1HG THR 55 -5.932 2.618 -8.748 457 HG21 THR 55 3HG2 THR 55 -5.570 6.173 -9.065 458 HG22 THR 55 1HG2 THR 55 -6.406 4.953 -10.024 459 HG23 THR 55 2HG2 THR 55 -4.717 4.718 -9.576 460 H GLU 56 H GLU 56 -5.170 7.616 -6.970 461 HA GLU 56 HA GLU 56 -7.674 8.527 -5.776 462 HB2 GLU 56 2HB GLU 56 -5.623 9.551 -4.958 463 HB3 GLU 56 1HB GLU 56 -5.194 10.047 -6.595 464 HG2 GLU 56 2HG GLU 56 -7.131 11.516 -6.671 465 HG3 GLU 56 1HG GLU 56 -7.588 11.009 -5.045 Start of MODEL 13 1 H1 THR 1 1HT THR 1 3.227 -13.799 4.332 2 H2 THR 1 2HT THR 1 3.105 -12.348 3.426 3 H3 THR 1 3HT THR 1 3.529 -12.291 5.088 4 HA THR 1 HA THR 1 5.593 -13.185 4.728 5 HB THR 1 HB THR 1 6.206 -14.050 2.438 6 HG1 THR 1 1HG THR 1 3.407 -13.828 2.043 7 HG21 THR 1 1HG2 THR 1 4.508 -15.341 4.376 8 HG22 THR 1 2HG2 THR 1 5.853 -15.991 3.438 9 HG23 THR 1 3HG2 THR 1 4.229 -15.964 2.751 10 H THR 2 H THR 2 4.588 -11.955 1.547 11 HA THR 2 HA THR 2 6.044 -9.463 2.115 12 HB THR 2 HB THR 2 6.927 -9.496 -0.196 13 HG1 THR 2 1HG THR 2 5.783 -12.088 -0.248 14 HG21 THR 2 3HG2 THR 2 8.620 -11.183 0.055 15 HG22 THR 2 1HG2 THR 2 7.662 -12.007 1.285 16 HG23 THR 2 2HG2 THR 2 8.325 -10.406 1.612 17 H TYR 3 H TYR 3 4.464 -7.987 2.172 18 HA TYR 3 HA TYR 3 2.327 -8.119 0.169 19 HB2 TYR 3 2HB TYR 3 2.497 -6.467 2.698 20 HB3 TYR 3 1HB TYR 3 1.104 -6.559 1.616 21 HD1 TYR 3 1HD TYR 3 3.287 -8.708 3.746 22 HD2 TYR 3 2HD TYR 3 -0.560 -8.129 2.022 23 HE1 TYR 3 1HE TYR 3 2.434 -10.630 5.020 24 HE2 TYR 3 2HE TYR 3 -1.424 -10.048 3.296 25 HH TYR 3 HH TYR 3 -0.630 -12.034 4.397 26 H LYS 4 H LYS 4 1.771 -6.308 -1.086 27 HA LYS 4 HA LYS 4 3.775 -4.151 -1.156 28 HB2 LYS 4 2HB LYS 4 2.871 -5.955 -3.341 29 HB3 LYS 4 1HB LYS 4 3.130 -4.264 -3.753 30 HG2 LYS 4 2HG LYS 4 5.372 -4.408 -3.524 31 HG3 LYS 4 1HG LYS 4 5.273 -5.579 -2.207 32 HD2 LYS 4 2HD LYS 4 4.719 -7.340 -3.800 33 HD3 LYS 4 1HD LYS 4 4.774 -6.173 -5.124 34 HE2 LYS 4 2HE LYS 4 6.878 -7.026 -5.301 35 HE3 LYS 4 1HE LYS 4 7.193 -5.733 -4.145 36 HZ1 LYS 4 3HZ LYS 4 6.631 -8.552 -3.396 37 HZ2 LYS 4 1HZ LYS 4 7.088 -7.300 -2.353 38 HZ3 LYS 4 2HZ LYS 4 8.180 -7.883 -3.506 39 H LEU 5 H LEU 5 3.071 -2.142 -1.912 40 HA LEU 5 HA LEU 5 0.161 -1.809 -2.103 41 HB2 LEU 5 2HB LEU 5 0.483 -1.097 0.064 42 HB3 LEU 5 1HB LEU 5 2.103 -0.489 -0.270 43 HG LEU 5 HG LEU 5 1.227 1.495 -1.292 44 HD11 LEU 5 1HD1 LEU 5 -1.429 1.663 -1.106 45 HD12 LEU 5 2HD1 LEU 5 -1.278 -0.073 -1.380 46 HD13 LEU 5 3HD1 LEU 5 -0.609 1.065 -2.549 47 HD21 LEU 5 3HD2 LEU 5 1.208 2.090 0.881 48 HD22 LEU 5 1HD2 LEU 5 0.255 0.688 1.365 49 HD23 LEU 5 2HD2 LEU 5 -0.543 2.092 0.654 50 H ILE 6 H ILE 6 -0.354 -0.898 -3.975 51 HA ILE 6 HA ILE 6 1.645 0.733 -5.367 52 HB ILE 6 HB ILE 6 -0.896 -0.513 -6.419 53 HG12 ILE 6 2HG1 ILE 6 0.768 -1.898 -7.742 54 HG13 ILE 6 1HG1 ILE 6 2.018 -1.261 -6.678 55 HG21 ILE 6 1HG2 ILE 6 -0.540 1.413 -7.716 56 HG22 ILE 6 2HG2 ILE 6 0.162 0.095 -8.654 57 HG23 ILE 6 3HG2 ILE 6 1.207 1.178 -7.737 58 HD11 ILE 6 3HD1 ILE 6 1.237 -2.426 -4.852 59 HD12 ILE 6 1HD1 ILE 6 0.955 -3.558 -6.174 60 HD13 ILE 6 2HD1 ILE 6 -0.382 -2.606 -5.528 61 H LEU 7 H LEU 7 1.475 2.860 -5.337 62 HA LEU 7 HA LEU 7 -1.153 4.061 -4.761 63 HB2 LEU 7 2HB LEU 7 1.500 5.427 -4.375 64 HB3 LEU 7 1HB LEU 7 -0.061 5.861 -3.690 65 HG LEU 7 HG LEU 7 1.447 3.351 -2.956 66 HD11 LEU 7 1HD1 LEU 7 2.560 4.430 -1.325 67 HD12 LEU 7 2HD1 LEU 7 1.242 5.564 -1.027 68 HD13 LEU 7 3HD1 LEU 7 2.343 5.825 -2.381 69 HD21 LEU 7 3HD2 LEU 7 -0.090 3.274 -1.080 70 HD22 LEU 7 1HD2 LEU 7 -0.983 3.285 -2.601 71 HD23 LEU 7 2HD2 LEU 7 -0.872 4.755 -1.634 72 H ASN 8 H ASN 8 -2.039 5.400 -6.215 73 HA ASN 8 HA ASN 8 -0.348 6.316 -8.447 74 HB2 ASN 8 2HB ASN 8 -2.055 4.500 -8.999 75 HB3 ASN 8 1HB ASN 8 -3.294 5.710 -8.678 76 HD21 ASN 8 1HD2 ASN 8 -0.152 6.012 -10.296 77 HD22 ASN 8 2HD2 ASN 8 -0.800 6.574 -11.790 78 H LEU 9 H LEU 9 0.037 8.384 -7.906 79 HA LEU 9 HA LEU 9 -2.280 10.093 -7.284 80 HB2 LEU 9 2HB LEU 9 0.547 10.897 -6.711 81 HB3 LEU 9 1HB LEU 9 -0.942 11.435 -5.935 82 HG LEU 9 HG LEU 9 0.022 10.117 -4.272 83 HD11 LEU 9 1HD1 LEU 9 -1.630 8.685 -3.873 84 HD12 LEU 9 2HD1 LEU 9 -1.294 7.746 -5.328 85 HD13 LEU 9 3HD1 LEU 9 -2.287 9.198 -5.426 86 HD21 LEU 9 3HD2 LEU 9 0.675 7.846 -6.092 87 HD22 LEU 9 1HD2 LEU 9 1.420 8.317 -4.565 88 HD23 LEU 9 2HD2 LEU 9 1.744 9.245 -6.028 89 H LYS 10 H LYS 10 -1.584 12.519 -7.841 90 HA LYS 10 HA LYS 10 -1.215 12.523 -10.710 91 HB2 LYS 10 2HB LYS 10 -1.797 14.884 -10.591 92 HB3 LYS 10 1HB LYS 10 -2.942 13.927 -9.652 93 HG2 LYS 10 2HG LYS 10 -0.643 14.982 -8.149 94 HG3 LYS 10 1HG LYS 10 -1.764 16.193 -8.775 95 HD2 LYS 10 2HD LYS 10 -3.551 14.497 -7.774 96 HD3 LYS 10 1HD LYS 10 -2.190 14.064 -6.735 97 HE2 LYS 10 2HE LYS 10 -2.018 16.718 -6.540 98 HE3 LYS 10 1HE LYS 10 -3.738 16.596 -6.901 99 HZ1 LYS 10 3HZ LYS 10 -2.571 14.897 -4.803 100 HZ2 LYS 10 1HZ LYS 10 -4.156 15.464 -4.962 101 HZ3 LYS 10 2HZ LYS 10 -2.929 16.511 -4.459 102 H GLN 11 H GLN 11 1.095 11.620 -9.734 103 HA GLN 11 HA GLN 11 3.056 13.240 -10.812 104 HB2 GLN 11 2HB GLN 11 2.365 13.964 -8.055 105 HB3 GLN 11 1HB GLN 11 4.085 13.616 -8.272 106 HG2 GLN 11 2HG GLN 11 3.212 15.267 -10.439 107 HG3 GLN 11 1HG GLN 11 2.648 15.986 -8.928 108 HE21 GLN 11 1HE2 GLN 11 5.515 14.669 -10.519 109 HE22 GLN 11 2HE2 GLN 11 6.652 15.690 -9.711 110 H ALA 12 H ALA 12 3.181 10.907 -11.413 111 HA ALA 12 HA ALA 12 4.338 8.949 -11.429 112 HB1 ALA 12 1HB ALA 12 6.428 9.741 -11.113 113 HB2 ALA 12 2HB ALA 12 6.263 8.955 -9.541 114 HB3 ALA 12 3HB ALA 12 5.971 10.687 -9.697 115 H LYS 13 H LYS 13 4.227 6.923 -10.471 116 HA LYS 13 HA LYS 13 2.519 6.786 -8.117 117 HB2 LYS 13 2HB LYS 13 2.267 4.417 -8.701 118 HB3 LYS 13 1HB LYS 13 1.885 5.460 -10.064 119 HG2 LYS 13 2HG LYS 13 4.543 4.962 -10.450 120 HG3 LYS 13 1HG LYS 13 3.970 3.440 -9.765 121 HD2 LYS 13 2HD LYS 13 2.039 4.248 -11.651 122 HD3 LYS 13 1HD LYS 13 3.613 4.485 -12.413 123 HE2 LYS 13 2HE LYS 13 3.545 2.309 -12.890 124 HE3 LYS 13 1HE LYS 13 3.876 2.036 -11.183 125 HZ1 LYS 13 3HZ LYS 13 1.230 2.356 -11.145 126 HZ2 LYS 13 1HZ LYS 13 1.987 0.850 -11.304 127 HZ3 LYS 13 2HZ LYS 13 1.417 1.664 -12.667 128 H GLU 14 H GLU 14 3.038 5.696 -6.237 129 HA GLU 14 HA GLU 14 5.902 5.090 -5.894 130 HB2 GLU 14 2HB GLU 14 4.035 6.680 -4.329 131 HB3 GLU 14 1HB GLU 14 4.810 5.435 -3.347 132 HG2 GLU 14 2HG GLU 14 6.503 6.845 -3.120 133 HG3 GLU 14 1HG GLU 14 6.894 6.507 -4.806 134 H GLU 15 H GLU 15 6.479 3.108 -5.222 135 HA GLU 15 HA GLU 15 4.321 1.202 -4.653 136 HB2 GLU 15 2HB GLU 15 7.106 0.900 -5.733 137 HB3 GLU 15 1HB GLU 15 6.266 -0.478 -5.033 138 HG2 GLU 15 2HG GLU 15 4.412 -0.073 -6.647 139 HG3 GLU 15 1HG GLU 15 5.412 1.165 -7.404 140 H ALA 16 H ALA 16 4.071 0.352 -2.705 141 HA ALA 16 HA ALA 16 6.201 0.770 -0.715 142 HB1 ALA 16 1HB ALA 16 3.297 1.067 -0.610 143 HB2 ALA 16 2HB ALA 16 4.547 1.757 0.426 144 HB3 ALA 16 3HB ALA 16 3.958 0.125 0.727 145 H ILE 17 H ILE 17 7.055 -0.959 0.329 146 HA ILE 17 HA ILE 17 5.747 -3.561 0.017 147 HB ILE 17 HB ILE 17 7.754 -4.673 -0.682 148 HG12 ILE 17 2HG1 ILE 17 9.366 -3.242 0.546 149 HG13 ILE 17 1HG1 ILE 17 9.846 -3.511 -1.126 150 HG21 ILE 17 1HG2 ILE 17 7.834 -2.387 -2.559 151 HG22 ILE 17 2HG2 ILE 17 6.261 -3.132 -2.280 152 HG23 ILE 17 3HG2 ILE 17 7.605 -4.107 -2.869 153 HD11 ILE 17 3HD1 ILE 17 9.233 -1.041 0.269 154 HD12 ILE 17 1HD1 ILE 17 8.390 -1.190 -1.272 155 HD13 ILE 17 2HD1 ILE 17 10.147 -1.312 -1.215 156 H LYS 18 H LYS 18 6.518 -5.200 1.471 157 HA LYS 18 HA LYS 18 8.292 -4.594 3.609 158 HB2 LYS 18 2HB LYS 18 6.624 -3.190 4.492 159 HB3 LYS 18 1HB LYS 18 5.328 -4.289 4.023 160 HG2 LYS 18 2HG LYS 18 5.520 -4.415 6.374 161 HG3 LYS 18 1HG LYS 18 6.235 -5.899 5.743 162 HD2 LYS 18 2HD LYS 18 8.473 -4.718 5.893 163 HD3 LYS 18 1HD LYS 18 7.644 -3.465 6.817 164 HE2 LYS 18 2HE LYS 18 6.837 -5.814 8.030 165 HE3 LYS 18 1HE LYS 18 8.526 -6.110 7.636 166 HZ1 LYS 18 3HZ LYS 18 8.002 -3.518 8.797 167 HZ2 LYS 18 1HZ LYS 18 9.210 -4.638 9.153 168 HZ3 LYS 18 2HZ LYS 18 7.678 -4.819 9.828 169 H GLU 19 H GLU 19 8.742 -6.406 4.870 170 HA GLU 19 HA GLU 19 7.424 -8.889 3.993 171 HB2 GLU 19 2HB GLU 19 9.999 -8.343 3.602 172 HB3 GLU 19 1HB GLU 19 10.124 -8.954 5.247 173 HG2 GLU 19 2HG GLU 19 8.496 -10.700 3.653 174 HG3 GLU 19 1HG GLU 19 10.050 -10.425 2.873 175 H ALA 20 H ALA 20 6.031 -9.544 5.495 176 HA ALA 20 HA ALA 20 6.941 -9.623 8.289 177 HB1 ALA 20 1HB ALA 20 5.465 -7.743 8.184 178 HB2 ALA 20 2HB ALA 20 4.617 -9.060 8.997 179 HB3 ALA 20 3HB ALA 20 4.252 -8.682 7.314 180 H VAL 21 H VAL 21 5.516 -11.098 9.631 181 HA VAL 21 HA VAL 21 5.134 -13.570 8.135 182 HB VAL 21 HB VAL 21 6.510 -13.627 10.175 183 HG11 VAL 21 1HG1 VAL 21 4.249 -12.218 11.251 184 HG12 VAL 21 2HG1 VAL 21 5.860 -12.440 11.930 185 HG13 VAL 21 3HG1 VAL 21 4.607 -13.648 12.216 186 HG21 VAL 21 3HG2 VAL 21 4.893 -15.523 9.304 187 HG22 VAL 21 1HG2 VAL 21 4.111 -15.244 10.858 188 HG23 VAL 21 2HG2 VAL 21 5.810 -15.711 10.800 189 H ASP 22 H ASP 22 3.173 -11.236 8.200 190 HA ASP 22 HA ASP 22 0.812 -12.787 8.183 191 HB2 ASP 22 2HB ASP 22 1.474 -12.153 10.735 192 HB3 ASP 22 1HB ASP 22 0.507 -10.746 10.302 193 H ALA 23 H ALA 23 -1.125 -10.861 8.582 194 HA ALA 23 HA ALA 23 -0.465 -8.955 6.447 195 HB1 ALA 23 1HB ALA 23 -3.054 -8.710 6.456 196 HB2 ALA 23 2HB ALA 23 -3.009 -10.245 7.326 197 HB3 ALA 23 3HB ALA 23 -2.307 -10.125 5.712 198 H GLY 24 H GLY 24 -1.784 -9.186 9.708 199 HA2 GLY 24 2HA GLY 24 -2.741 -6.646 10.130 200 HA3 GLY 24 1HA GLY 24 -1.924 -7.592 11.364 201 H THR 25 H THR 25 0.582 -7.662 9.839 202 HA THR 25 HA THR 25 1.645 -5.144 10.767 203 HB THR 25 HB THR 25 3.300 -7.100 9.234 204 HG1 THR 25 1HG THR 25 2.268 -7.543 11.835 205 HG21 THR 25 3HG2 THR 25 4.029 -6.049 11.905 206 HG22 THR 25 1HG2 THR 25 4.048 -4.933 10.541 207 HG23 THR 25 2HG2 THR 25 5.041 -6.391 10.502 208 H ALA 26 H ALA 26 0.762 -6.626 7.742 209 HA ALA 26 HA ALA 26 2.203 -4.770 6.091 210 HB1 ALA 26 1HB ALA 26 -0.135 -6.422 5.186 211 HB2 ALA 26 2HB ALA 26 1.450 -7.141 5.474 212 HB3 ALA 26 3HB ALA 26 1.261 -5.878 4.257 213 H GLU 27 H GLU 27 -1.122 -5.117 7.235 214 HA GLU 27 HA GLU 27 -2.175 -2.928 5.762 215 HB2 GLU 27 2HB GLU 27 -3.581 -4.726 6.705 216 HB3 GLU 27 1HB GLU 27 -3.189 -4.172 8.326 217 HG2 GLU 27 2HG GLU 27 -4.538 -2.342 8.181 218 HG3 GLU 27 1HG GLU 27 -4.369 -2.218 6.430 219 H LYS 28 H LYS 28 -1.462 -3.229 9.251 220 HA LYS 28 HA LYS 28 -1.814 -0.561 9.927 221 HB2 LYS 28 2HB LYS 28 -0.399 -2.873 11.109 222 HB3 LYS 28 1HB LYS 28 0.133 -1.292 11.668 223 HG2 LYS 28 2HG LYS 28 -2.428 -0.872 11.990 224 HG3 LYS 28 1HG LYS 28 -2.502 -2.635 12.008 225 HD2 LYS 28 2HD LYS 28 -0.929 -2.722 13.843 226 HD3 LYS 28 1HD LYS 28 -0.715 -0.972 13.778 227 HE2 LYS 28 2HE LYS 28 -2.860 -0.559 14.604 228 HE3 LYS 28 1HE LYS 28 -3.419 -2.187 14.221 229 HZ1 LYS 28 3HZ LYS 28 -3.107 -2.358 16.458 230 HZ2 LYS 28 1HZ LYS 28 -1.828 -1.253 16.496 231 HZ3 LYS 28 2HZ LYS 28 -1.569 -2.827 15.936 232 H TYR 29 H TYR 29 1.010 -2.168 8.561 233 HA TYR 29 HA TYR 29 2.767 0.059 8.903 234 HB2 TYR 29 2HB TYR 29 3.741 -2.135 8.694 235 HB3 TYR 29 1HB TYR 29 2.937 -2.401 7.145 236 HD1 TYR 29 1HD TYR 29 3.642 -0.958 5.172 237 HD2 TYR 29 2HD TYR 29 5.865 -1.149 8.795 238 HE1 TYR 29 1HE TYR 29 5.616 -0.077 4.001 239 HE2 TYR 29 2HE TYR 29 7.845 -0.266 7.635 240 HH TYR 29 HH TYR 29 8.406 1.008 5.659 241 H PHE 30 H PHE 30 0.982 -1.255 6.113 242 HA PHE 30 HA PHE 30 1.798 0.705 4.274 243 HB2 PHE 30 2HB PHE 30 -0.555 -1.164 4.397 244 HB3 PHE 30 1HB PHE 30 -0.448 0.048 3.119 245 HD1 PHE 30 2HD PHE 30 2.665 -0.145 2.943 246 HD2 PHE 30 1HD PHE 30 -0.464 -3.045 2.880 247 HE1 PHE 30 2HE PHE 30 4.091 -1.656 1.629 248 HE2 PHE 30 1HE PHE 30 0.966 -4.553 1.565 249 HZ PHE 30 HZ PHE 30 3.241 -3.859 0.939 250 H LYS 31 H LYS 31 -0.964 0.534 6.476 251 HA LYS 31 HA LYS 31 -2.278 2.856 5.642 252 HB2 LYS 31 2HB LYS 31 -3.020 1.023 7.313 253 HB3 LYS 31 1HB LYS 31 -2.191 1.995 8.520 254 HG2 LYS 31 2HG LYS 31 -4.028 3.516 6.830 255 HG3 LYS 31 1HG LYS 31 -4.803 2.264 7.803 256 HD2 LYS 31 2HD LYS 31 -3.117 3.384 9.619 257 HD3 LYS 31 1HD LYS 31 -3.529 4.782 8.622 258 HE2 LYS 31 2HE LYS 31 -5.972 3.852 8.909 259 HE3 LYS 31 1HE LYS 31 -5.278 3.084 10.336 260 HZ1 LYS 31 3HZ LYS 31 -5.007 5.056 11.380 261 HZ2 LYS 31 1HZ LYS 31 -6.300 5.509 10.385 262 HZ3 LYS 31 2HZ LYS 31 -4.716 5.920 9.954 263 H LEU 32 H LEU 32 0.488 2.414 7.779 264 HA LEU 32 HA LEU 32 0.500 5.032 8.858 265 HB2 LEU 32 2HB LEU 32 2.631 2.920 8.611 266 HB3 LEU 32 1HB LEU 32 2.902 4.461 9.410 267 HG LEU 32 HG LEU 32 1.830 2.065 10.494 268 HD11 LEU 32 1HD1 LEU 32 1.843 3.459 12.579 269 HD12 LEU 32 2HD1 LEU 32 2.308 4.827 11.568 270 HD13 LEU 32 3HD1 LEU 32 3.362 3.418 11.684 271 HD21 LEU 32 3HD2 LEU 32 -0.122 4.365 10.575 272 HD22 LEU 32 1HD2 LEU 32 -0.212 2.909 11.565 273 HD23 LEU 32 2HD2 LEU 32 -0.387 2.797 9.815 274 H ILE 33 H ILE 33 2.067 3.579 6.027 275 HA ILE 33 HA ILE 33 3.589 5.937 5.437 276 HB ILE 33 HB ILE 33 4.389 3.742 4.716 277 HG12 ILE 33 2HG1 ILE 33 4.824 4.325 2.294 278 HG13 ILE 33 1HG1 ILE 33 3.729 5.689 2.500 279 HG21 ILE 33 1HG2 ILE 33 3.268 2.681 2.722 280 HG22 ILE 33 2HG2 ILE 33 1.886 3.725 3.053 281 HG23 ILE 33 3HG2 ILE 33 2.410 2.548 4.257 282 HD11 ILE 33 3HD1 ILE 33 6.302 5.998 2.750 283 HD12 ILE 33 1HD1 ILE 33 6.019 5.370 4.373 284 HD13 ILE 33 2HD1 ILE 33 5.193 6.833 3.837 285 H ALA 34 H ALA 34 0.520 4.578 4.380 286 HA ALA 34 HA ALA 34 0.042 6.275 2.199 287 HB1 ALA 34 1HB ALA 34 -2.457 5.811 3.061 288 HB2 ALA 34 2HB ALA 34 -1.602 4.543 3.939 289 HB3 ALA 34 3HB ALA 34 -1.502 4.619 2.181 290 H ASN 35 H ASN 35 -1.656 6.517 5.324 291 HA ASN 35 HA ASN 35 -2.563 9.106 5.029 292 HB2 ASN 35 2HB ASN 35 -1.829 7.552 7.510 293 HB3 ASN 35 1HB ASN 35 -2.565 9.150 7.585 294 HD21 ASN 35 1HD2 ASN 35 -4.360 8.936 5.437 295 HD22 ASN 35 2HD2 ASN 35 -5.560 7.765 5.847 296 H ALA 36 H ALA 36 0.621 7.990 5.882 297 HA ALA 36 HA ALA 36 1.586 10.430 6.975 298 HB1 ALA 36 1HB ALA 36 3.849 9.385 6.459 299 HB2 ALA 36 2HB ALA 36 2.945 7.988 5.875 300 HB3 ALA 36 3HB ALA 36 2.790 8.499 7.556 301 H LYS 37 H LYS 37 1.003 9.356 3.756 302 HA LYS 37 HA LYS 37 1.647 11.889 2.669 303 HB2 LYS 37 2HB LYS 37 3.496 11.218 1.190 304 HB3 LYS 37 1HB LYS 37 3.942 11.130 2.884 305 HG2 LYS 37 2HG LYS 37 3.622 8.703 2.831 306 HG3 LYS 37 1HG LYS 37 3.183 8.804 1.125 307 HD2 LYS 37 2HD LYS 37 5.835 9.603 2.323 308 HD3 LYS 37 1HD LYS 37 5.516 8.131 1.406 309 HE2 LYS 37 2HE LYS 37 5.282 10.957 0.377 310 HE3 LYS 37 1HE LYS 37 6.580 9.816 0.013 311 HZ1 LYS 37 3HZ LYS 37 3.721 9.446 -0.695 312 HZ2 LYS 37 1HZ LYS 37 4.981 8.379 -1.068 313 HZ3 LYS 37 2HZ LYS 37 4.940 9.911 -1.763 314 H THR 38 H THR 38 -0.678 10.807 2.446 315 HA THR 38 HA THR 38 -1.019 10.378 -0.354 316 HB THR 38 HB THR 38 -1.633 8.071 1.506 317 HG1 THR 38 1HG THR 38 0.232 8.421 -0.589 318 HG21 THR 38 3HG2 THR 38 -2.576 8.691 -1.213 319 HG22 THR 38 1HG2 THR 38 -3.303 7.695 0.049 320 HG23 THR 38 2HG2 THR 38 -1.993 7.049 -0.940 321 H VAL 39 H VAL 39 -2.986 9.142 2.329 322 HA VAL 39 HA VAL 39 -5.187 9.510 2.830 323 HB VAL 39 HB VAL 39 -4.025 11.277 4.088 324 HG11 VAL 39 1HG1 VAL 39 -2.992 12.617 2.488 325 HG12 VAL 39 2HG1 VAL 39 -4.276 13.639 3.139 326 HG13 VAL 39 3HG1 VAL 39 -4.486 12.843 1.580 327 HG21 VAL 39 3HG2 VAL 39 -6.472 12.687 3.247 328 HG22 VAL 39 1HG2 VAL 39 -5.958 12.154 4.849 329 HG23 VAL 39 2HG2 VAL 39 -6.682 11.002 3.725 330 H GLU 40 H GLU 40 -4.962 9.083 0.101 331 HA GLU 40 HA GLU 40 -7.391 10.103 -0.852 332 HB2 GLU 40 2HB GLU 40 -5.173 11.876 -1.208 333 HB3 GLU 40 1HB GLU 40 -5.684 11.287 -2.791 334 HG2 GLU 40 2HG GLU 40 -7.745 12.272 -2.645 335 HG3 GLU 40 1HG GLU 40 -7.750 12.255 -0.880 336 H GLY 41 H GLY 41 -8.011 8.318 -1.887 337 HA2 GLY 41 2HA GLY 41 -7.186 7.472 -4.334 338 HA3 GLY 41 1HA GLY 41 -6.089 6.630 -3.242 339 H VAL 42 H VAL 42 -7.566 5.062 -4.780 340 HA VAL 42 HA VAL 42 -9.872 4.219 -3.167 341 HB VAL 42 HB VAL 42 -9.161 3.246 -5.938 342 HG11 VAL 42 1HG1 VAL 42 -10.817 2.109 -4.141 343 HG12 VAL 42 2HG1 VAL 42 -11.044 2.012 -5.886 344 HG13 VAL 42 3HG1 VAL 42 -11.932 3.212 -4.947 345 HG21 VAL 42 3HG2 VAL 42 -10.510 4.858 -6.905 346 HG22 VAL 42 1HG2 VAL 42 -9.694 5.771 -5.637 347 HG23 VAL 42 2HG2 VAL 42 -11.346 5.210 -5.394 348 H TRP 43 H TRP 43 -9.270 2.865 -1.657 349 HA TRP 43 HA TRP 43 -7.000 1.238 -1.689 350 HB2 TRP 43 2HB TRP 43 -9.379 1.702 -0.004 351 HB3 TRP 43 1HB TRP 43 -8.594 0.156 0.214 352 HD1 TRP 43 HD TRP 43 -7.810 3.929 0.384 353 HE1 TRP 43 1HE TRP 43 -5.903 4.313 2.053 354 HE3 TRP 43 3HE TRP 43 -6.668 -0.957 1.480 355 HZ2 TRP 43 2HZ TRP 43 -4.155 2.798 3.620 356 HZ3 TRP 43 3HZ TRP 43 -4.799 -1.384 3.133 357 HH2 TRP 43 HH TRP 43 -3.607 0.470 4.145 358 H THR 44 H THR 44 -6.670 -0.574 -2.784 359 HA THR 44 HA THR 44 -8.858 -2.491 -3.106 360 HB THR 44 HB THR 44 -8.180 -2.896 -5.467 361 HG1 THR 44 1HG THR 44 -6.413 -2.017 -6.124 362 HG21 THR 44 3HG2 THR 44 -8.775 -0.015 -5.523 363 HG22 THR 44 1HG2 THR 44 -9.910 -1.032 -4.636 364 HG23 THR 44 2HG2 THR 44 -9.573 -1.364 -6.335 365 H TYR 45 H TYR 45 -8.004 -4.664 -3.821 366 HA TYR 45 HA TYR 45 -5.186 -5.064 -3.202 367 HB2 TYR 45 2HB TYR 45 -5.658 -5.675 -1.089 368 HB3 TYR 45 1HB TYR 45 -7.381 -5.854 -1.420 369 HD1 TYR 45 2HD TYR 45 -8.144 -8.022 -2.550 370 HD2 TYR 45 1HD TYR 45 -4.293 -7.547 -0.803 371 HE1 TYR 45 2HE TYR 45 -7.906 -10.467 -2.421 372 HE2 TYR 45 1HE TYR 45 -4.046 -9.990 -0.669 373 HH TYR 45 HH TYR 45 -4.920 -11.987 -1.678 374 H LYS 46 H LYS 46 -4.251 -6.841 -4.124 375 HA LYS 46 HA LYS 46 -5.936 -8.279 -6.060 376 HB2 LYS 46 2HB LYS 46 -2.941 -8.108 -6.241 377 HB3 LYS 46 1HB LYS 46 -4.109 -8.427 -7.520 378 HG2 LYS 46 2HG LYS 46 -4.723 -6.178 -7.680 379 HG3 LYS 46 1HG LYS 46 -4.002 -5.778 -6.120 380 HD2 LYS 46 2HD LYS 46 -2.629 -4.947 -7.956 381 HD3 LYS 46 1HD LYS 46 -1.775 -6.192 -7.043 382 HE2 LYS 46 2HE LYS 46 -2.586 -7.838 -8.777 383 HE3 LYS 46 1HE LYS 46 -3.108 -6.447 -9.727 384 HZ1 LYS 46 3HZ LYS 46 -0.602 -5.755 -9.182 385 HZ2 LYS 46 1HZ LYS 46 -1.041 -6.638 -10.565 386 HZ3 LYS 46 2HZ LYS 46 -0.427 -7.438 -9.204 387 H ASP 47 H ASP 47 -6.095 -10.427 -5.960 388 HA ASP 47 HA ASP 47 -4.839 -11.798 -3.736 389 HB2 ASP 47 2HB ASP 47 -7.309 -12.007 -4.510 390 HB3 ASP 47 1HB ASP 47 -6.667 -13.102 -5.734 391 H GLU 48 H GLU 48 -2.984 -12.798 -3.916 392 HA GLU 48 HA GLU 48 -2.254 -14.820 -5.568 393 HB2 GLU 48 2HB GLU 48 -0.642 -13.603 -7.168 394 HB3 GLU 48 1HB GLU 48 -2.349 -13.641 -7.579 395 HG2 GLU 48 2HG GLU 48 -2.156 -11.322 -6.160 396 HG3 GLU 48 1HG GLU 48 -0.604 -11.382 -6.984 397 H ILE 49 H ILE 49 -0.621 -11.732 -4.827 398 HA ILE 49 HA ILE 49 1.237 -13.237 -3.111 399 HB ILE 49 HB ILE 49 2.025 -10.773 -4.652 400 HG12 ILE 49 2HG1 ILE 49 2.644 -13.623 -5.428 401 HG13 ILE 49 1HG1 ILE 49 1.352 -12.677 -6.162 402 HG21 ILE 49 1HG2 ILE 49 3.215 -12.049 -2.534 403 HG22 ILE 49 2HG2 ILE 49 4.025 -10.981 -3.681 404 HG23 ILE 49 3HG2 ILE 49 4.062 -12.726 -3.924 405 HD11 ILE 49 3HD1 ILE 49 4.308 -12.322 -6.382 406 HD12 ILE 49 1HD1 ILE 49 3.215 -10.971 -6.682 407 HD13 ILE 49 2HD1 ILE 49 3.097 -12.433 -7.654 408 H LYS 50 H LYS 50 -1.285 -11.638 -2.635 409 HA LYS 50 HA LYS 50 -2.114 -10.175 -1.109 410 HB2 LYS 50 2HB LYS 50 0.551 -10.321 0.287 411 HB3 LYS 50 1HB LYS 50 -1.035 -10.041 0.994 412 HG2 LYS 50 2HG LYS 50 -0.640 -12.608 -0.419 413 HG3 LYS 50 1HG LYS 50 0.210 -12.389 1.111 414 HD2 LYS 50 2HD LYS 50 -1.686 -12.494 2.320 415 HD3 LYS 50 1HD LYS 50 -2.603 -11.552 1.142 416 HE2 LYS 50 2HE LYS 50 -3.068 -13.439 -0.170 417 HE3 LYS 50 1HE LYS 50 -1.804 -14.394 0.602 418 HZ1 LYS 50 3HZ LYS 50 -4.457 -13.653 1.663 419 HZ2 LYS 50 1HZ LYS 50 -3.201 -14.106 2.703 420 HZ3 LYS 50 2HZ LYS 50 -3.760 -15.188 1.529 421 H THR 51 H THR 51 -2.152 -8.469 -2.673 422 HA THR 51 HA THR 51 -0.230 -6.350 -2.013 423 HB THR 51 HB THR 51 -0.183 -5.679 -4.408 424 HG1 THR 51 1HG THR 51 -1.449 -8.182 -4.812 425 HG21 THR 51 3HG2 THR 51 1.514 -7.068 -5.024 426 HG22 THR 51 1HG2 THR 51 0.712 -8.510 -4.401 427 HG23 THR 51 2HG2 THR 51 1.470 -7.370 -3.287 428 H PHE 52 H PHE 52 -1.011 -4.314 -1.920 429 HA PHE 52 HA PHE 52 -3.890 -3.963 -2.427 430 HB2 PHE 52 2HB PHE 52 -2.324 -2.405 -0.377 431 HB3 PHE 52 1HB PHE 52 -4.070 -2.548 -0.532 432 HD1 PHE 52 1HD PHE 52 -0.998 -4.312 0.471 433 HD2 PHE 52 2HD PHE 52 -5.254 -4.347 0.454 434 HE1 PHE 52 1HE PHE 52 -0.986 -6.168 2.086 435 HE2 PHE 52 2HE PHE 52 -5.250 -6.201 2.069 436 HZ PHE 52 HZ PHE 52 -3.112 -7.115 2.887 437 H THR 53 H THR 53 -4.538 -1.733 -2.990 438 HA THR 53 HA THR 53 -2.391 -0.048 -3.992 439 HB THR 53 HB THR 53 -4.583 -1.153 -5.766 440 HG1 THR 53 1HG THR 53 -2.798 -1.979 -6.930 441 HG21 THR 53 3HG2 THR 53 -2.397 0.689 -6.693 442 HG22 THR 53 1HG2 THR 53 -4.002 1.269 -6.237 443 HG23 THR 53 2HG2 THR 53 -3.822 0.131 -7.569 444 H VAL 54 H VAL 54 -3.023 2.103 -4.466 445 HA VAL 54 HA VAL 54 -5.730 2.876 -3.648 446 HB VAL 54 HB VAL 54 -3.828 3.135 -1.806 447 HG11 VAL 54 1HG1 VAL 54 -3.628 5.804 -3.187 448 HG12 VAL 54 2HG1 VAL 54 -2.389 4.555 -3.285 449 HG13 VAL 54 3HG1 VAL 54 -2.790 5.277 -1.729 450 HG21 VAL 54 3HG2 VAL 54 -5.271 5.526 -1.522 451 HG22 VAL 54 1HG2 VAL 54 -5.631 3.951 -0.818 452 HG23 VAL 54 2HG2 VAL 54 -6.330 4.400 -2.372 453 H THR 55 H THR 55 -6.463 3.591 -5.538 454 HA THR 55 HA THR 55 -4.763 5.241 -7.240 455 HB THR 55 HB THR 55 -7.571 4.541 -7.972 456 HG1 THR 55 1HG THR 55 -5.411 2.731 -7.805 457 HG21 THR 55 3HG2 THR 55 -5.780 3.899 -10.013 458 HG22 THR 55 1HG2 THR 55 -5.217 5.428 -9.342 459 HG23 THR 55 2HG2 THR 55 -6.873 5.282 -9.931 460 H GLU 56 H GLU 56 -4.811 7.367 -7.123 461 HA GLU 56 HA GLU 56 -7.091 8.694 -5.858 462 HB2 GLU 56 2HB GLU 56 -4.952 9.281 -4.924 463 HB3 GLU 56 1HB GLU 56 -4.305 9.644 -6.514 464 HG2 GLU 56 2HG GLU 56 -6.681 11.194 -5.827 465 HG3 GLU 56 1HG GLU 56 -5.313 11.464 -4.749 Start of MODEL 14 1 H1 THR 1 1HT THR 1 6.348 -13.093 4.875 2 H2 THR 1 2HT THR 1 5.345 -14.478 4.728 3 H3 THR 1 3HT THR 1 4.668 -12.970 5.191 4 HA THR 1 HA THR 1 5.690 -13.826 2.585 5 HB THR 1 HB THR 1 3.382 -12.507 2.169 6 HG1 THR 1 1HG THR 1 2.406 -12.159 3.976 7 HG21 THR 1 1HG2 THR 1 2.743 -15.140 3.200 8 HG22 THR 1 2HG2 THR 1 4.129 -15.149 2.109 9 HG23 THR 1 3HG2 THR 1 2.585 -14.488 1.569 10 H THR 2 H THR 2 4.881 -11.849 1.022 11 HA THR 2 HA THR 2 6.124 -9.393 2.062 12 HB THR 2 HB THR 2 6.878 -9.208 -0.486 13 HG1 THR 2 1HG THR 2 7.393 -11.183 -1.336 14 HG21 THR 2 3HG2 THR 2 8.752 -9.071 0.705 15 HG22 THR 2 1HG2 THR 2 8.916 -10.797 0.383 16 HG23 THR 2 2HG2 THR 2 8.194 -10.248 1.895 17 H TYR 3 H TYR 3 4.352 -8.133 2.249 18 HA TYR 3 HA TYR 3 2.312 -8.114 0.195 19 HB2 TYR 3 2HB TYR 3 2.553 -6.353 2.643 20 HB3 TYR 3 1HB TYR 3 1.115 -6.585 1.645 21 HD1 TYR 3 1HD TYR 3 3.417 -8.295 4.002 22 HD2 TYR 3 2HD TYR 3 -0.361 -8.386 2.042 23 HE1 TYR 3 1HE TYR 3 2.719 -10.159 5.444 24 HE2 TYR 3 2HE TYR 3 -1.067 -10.249 3.482 25 HH TYR 3 HH TYR 3 0.109 -12.099 4.810 26 H LYS 4 H LYS 4 1.758 -6.331 -1.089 27 HA LYS 4 HA LYS 4 3.775 -4.189 -1.245 28 HB2 LYS 4 2HB LYS 4 2.541 -5.708 -3.548 29 HB3 LYS 4 1HB LYS 4 3.510 -4.249 -3.730 30 HG2 LYS 4 2HG LYS 4 5.324 -5.557 -2.457 31 HG3 LYS 4 1HG LYS 4 4.363 -6.981 -2.858 32 HD2 LYS 4 2HD LYS 4 4.437 -6.004 -5.276 33 HD3 LYS 4 1HD LYS 4 5.833 -5.111 -4.669 34 HE2 LYS 4 2HE LYS 4 7.035 -6.920 -5.183 35 HE3 LYS 4 1HE LYS 4 6.288 -7.680 -3.779 36 HZ1 LYS 4 3HZ LYS 4 4.824 -7.749 -6.310 37 HZ2 LYS 4 1HZ LYS 4 4.886 -8.896 -5.067 38 HZ3 LYS 4 2HZ LYS 4 6.172 -8.759 -6.157 39 H LEU 5 H LEU 5 3.065 -2.181 -1.936 40 HA LEU 5 HA LEU 5 0.154 -1.838 -2.116 41 HB2 LEU 5 2HB LEU 5 0.519 -1.142 0.054 42 HB3 LEU 5 1HB LEU 5 2.126 -0.517 -0.310 43 HG LEU 5 HG LEU 5 1.160 1.436 -1.389 44 HD11 LEU 5 1HD1 LEU 5 -1.420 -0.027 -0.958 45 HD12 LEU 5 2HD1 LEU 5 -0.784 0.694 -2.437 46 HD13 LEU 5 3HD1 LEU 5 -1.377 1.727 -1.136 47 HD21 LEU 5 3HD2 LEU 5 0.452 0.710 1.381 48 HD22 LEU 5 1HD2 LEU 5 -0.389 2.104 0.702 49 HD23 LEU 5 2HD2 LEU 5 1.374 2.081 0.763 50 H ILE 6 H ILE 6 -0.358 -0.948 -4.000 51 HA ILE 6 HA ILE 6 1.630 0.665 -5.414 52 HB ILE 6 HB ILE 6 -0.990 -0.391 -6.451 53 HG12 ILE 6 2HG1 ILE 6 0.480 -2.235 -5.842 54 HG13 ILE 6 1HG1 ILE 6 0.363 -2.099 -7.594 55 HG21 ILE 6 1HG2 ILE 6 -0.539 1.210 -7.982 56 HG22 ILE 6 2HG2 ILE 6 0.525 -0.040 -8.626 57 HG23 ILE 6 3HG2 ILE 6 1.183 1.236 -7.601 58 HD11 ILE 6 3HD1 ILE 6 2.535 -0.512 -6.766 59 HD12 ILE 6 1HD1 ILE 6 2.558 -1.996 -7.717 60 HD13 ILE 6 2HD1 ILE 6 2.672 -2.072 -5.957 61 H LEU 7 H LEU 7 1.563 2.764 -4.980 62 HA LEU 7 HA LEU 7 -1.031 4.039 -4.473 63 HB2 LEU 7 2HB LEU 7 1.662 5.315 -4.076 64 HB3 LEU 7 1HB LEU 7 0.122 5.767 -3.355 65 HG LEU 7 HG LEU 7 1.201 3.069 -2.709 66 HD11 LEU 7 1HD1 LEU 7 3.206 4.069 -2.262 67 HD12 LEU 7 2HD1 LEU 7 2.368 4.365 -0.740 68 HD13 LEU 7 3HD1 LEU 7 2.478 5.645 -1.949 69 HD21 LEU 7 3HD2 LEU 7 0.254 3.720 -0.482 70 HD22 LEU 7 1HD2 LEU 7 -0.921 3.646 -1.796 71 HD23 LEU 7 2HD2 LEU 7 -0.323 5.208 -1.236 72 H ASN 8 H ASN 8 -1.909 5.387 -5.906 73 HA ASN 8 HA ASN 8 -0.199 6.462 -8.050 74 HB2 ASN 8 2HB ASN 8 -3.066 5.589 -8.441 75 HB3 ASN 8 1HB ASN 8 -1.907 6.067 -9.682 76 HD21 ASN 8 1HD2 ASN 8 0.317 4.649 -8.743 77 HD22 ASN 8 2HD2 ASN 8 0.015 2.961 -8.953 78 H LEU 9 H LEU 9 -0.033 8.551 -7.487 79 HA LEU 9 HA LEU 9 -2.457 9.982 -6.658 80 HB2 LEU 9 2HB LEU 9 -1.038 11.675 -5.750 81 HB3 LEU 9 1HB LEU 9 -0.450 10.105 -5.201 82 HG LEU 9 HG LEU 9 0.863 11.010 -7.657 83 HD11 LEU 9 1HD1 LEU 9 1.688 13.003 -7.068 84 HD12 LEU 9 2HD1 LEU 9 1.900 12.529 -5.384 85 HD13 LEU 9 3HD1 LEU 9 0.324 13.076 -5.955 86 HD21 LEU 9 3HD2 LEU 9 2.353 10.571 -5.153 87 HD22 LEU 9 1HD2 LEU 9 2.619 9.910 -6.766 88 HD23 LEU 9 2HD2 LEU 9 1.383 9.210 -5.723 89 H LYS 10 H LYS 10 -2.325 12.414 -7.367 90 HA LYS 10 HA LYS 10 -2.871 12.532 -10.088 91 HB2 LYS 10 2HB LYS 10 -2.675 15.025 -9.802 92 HB3 LYS 10 1HB LYS 10 -3.748 14.219 -8.662 93 HG2 LYS 10 2HG LYS 10 -2.634 15.133 -6.986 94 HG3 LYS 10 1HG LYS 10 -1.176 14.275 -7.492 95 HD2 LYS 10 2HD LYS 10 -0.404 16.414 -7.630 96 HD3 LYS 10 1HD LYS 10 -1.090 16.264 -9.249 97 HE2 LYS 10 2HE LYS 10 -3.034 17.460 -8.642 98 HE3 LYS 10 1HE LYS 10 -2.666 17.330 -6.923 99 HZ1 LYS 10 3HZ LYS 10 -2.144 19.490 -8.365 100 HZ2 LYS 10 1HZ LYS 10 -0.674 18.672 -8.554 101 HZ3 LYS 10 2HZ LYS 10 -1.240 19.053 -7.007 102 H GLN 11 H GLN 11 0.194 12.663 -8.493 103 HA GLN 11 HA GLN 11 1.474 13.111 -11.090 104 HB2 GLN 11 2HB GLN 11 1.421 15.081 -9.226 105 HB3 GLN 11 1HB GLN 11 2.904 14.236 -8.758 106 HG2 GLN 11 2HG GLN 11 2.911 14.553 -11.594 107 HG3 GLN 11 1HG GLN 11 2.490 16.113 -10.874 108 HE21 GLN 11 1HE2 GLN 11 4.958 13.828 -11.464 109 HE22 GLN 11 2HE2 GLN 11 6.248 14.673 -10.688 110 H ALA 12 H ALA 12 2.477 11.275 -11.518 111 HA ALA 12 HA ALA 12 3.886 9.495 -11.356 112 HB1 ALA 12 1HB ALA 12 5.221 11.467 -10.133 113 HB2 ALA 12 2HB ALA 12 5.846 9.823 -10.275 114 HB3 ALA 12 3HB ALA 12 5.063 10.338 -8.781 115 H LYS 13 H LYS 13 4.664 7.748 -9.654 116 HA LYS 13 HA LYS 13 2.546 7.228 -7.700 117 HB2 LYS 13 2HB LYS 13 2.385 4.879 -8.485 118 HB3 LYS 13 1HB LYS 13 1.818 6.044 -9.674 119 HG2 LYS 13 2HG LYS 13 3.816 5.803 -10.956 120 HG3 LYS 13 1HG LYS 13 4.568 4.824 -9.701 121 HD2 LYS 13 2HD LYS 13 2.554 3.243 -10.061 122 HD3 LYS 13 1HD LYS 13 2.346 4.113 -11.583 123 HE2 LYS 13 2HE LYS 13 4.287 3.293 -12.476 124 HE3 LYS 13 1HE LYS 13 5.057 3.100 -10.902 125 HZ1 LYS 13 3HZ LYS 13 3.036 1.342 -12.165 126 HZ2 LYS 13 1HZ LYS 13 3.425 1.242 -10.522 127 HZ3 LYS 13 2HZ LYS 13 4.610 0.949 -11.686 128 H GLU 14 H GLU 14 3.148 5.914 -5.971 129 HA GLU 14 HA GLU 14 6.029 5.309 -5.808 130 HB2 GLU 14 2HB GLU 14 4.557 7.079 -4.223 131 HB3 GLU 14 1HB GLU 14 4.752 5.640 -3.221 132 HG2 GLU 14 2HG GLU 14 6.622 6.832 -2.662 133 HG3 GLU 14 1HG GLU 14 7.247 5.814 -3.959 134 H GLU 15 H GLU 15 6.637 3.338 -5.015 135 HA GLU 15 HA GLU 15 4.457 1.425 -4.538 136 HB2 GLU 15 2HB GLU 15 7.258 1.078 -5.584 137 HB3 GLU 15 1HB GLU 15 6.303 -0.287 -5.017 138 HG2 GLU 15 2HG GLU 15 4.521 0.654 -6.681 139 HG3 GLU 15 1HG GLU 15 5.920 1.435 -7.418 140 H ALA 16 H ALA 16 4.137 0.776 -2.532 141 HA ALA 16 HA ALA 16 6.371 0.932 -0.619 142 HB1 ALA 16 1HB ALA 16 4.624 1.000 1.135 143 HB2 ALA 16 2HB ALA 16 3.396 1.030 -0.130 144 HB3 ALA 16 3HB ALA 16 4.540 2.364 0.021 145 H ILE 17 H ILE 17 7.095 -0.889 0.306 146 HA ILE 17 HA ILE 17 5.405 -3.276 0.280 147 HB ILE 17 HB ILE 17 7.122 -4.694 -0.633 148 HG12 ILE 17 2HG1 ILE 17 9.075 -3.442 0.247 149 HG13 ILE 17 1HG1 ILE 17 9.249 -3.848 -1.456 150 HG21 ILE 17 1HG2 ILE 17 7.173 -3.898 -2.930 151 HG22 ILE 17 2HG2 ILE 17 6.747 -2.271 -2.394 152 HG23 ILE 17 3HG2 ILE 17 5.597 -3.595 -2.203 153 HD11 ILE 17 3HD1 ILE 17 9.812 -1.715 -1.726 154 HD12 ILE 17 1HD1 ILE 17 9.172 -1.256 -0.147 155 HD13 ILE 17 2HD1 ILE 17 8.094 -1.362 -1.540 156 H LYS 18 H LYS 18 6.224 -5.012 1.639 157 HA LYS 18 HA LYS 18 8.338 -4.563 3.483 158 HB2 LYS 18 2HB LYS 18 6.938 -2.969 4.525 159 HB3 LYS 18 1HB LYS 18 5.509 -3.981 4.330 160 HG2 LYS 18 2HG LYS 18 6.061 -4.054 6.617 161 HG3 LYS 18 1HG LYS 18 6.600 -5.596 5.950 162 HD2 LYS 18 2HD LYS 18 8.884 -4.578 5.719 163 HD3 LYS 18 1HD LYS 18 8.286 -3.191 6.630 164 HE2 LYS 18 2HE LYS 18 8.466 -6.050 7.566 165 HE3 LYS 18 1HE LYS 18 9.413 -4.678 8.142 166 HZ1 LYS 18 3HZ LYS 18 6.487 -5.045 8.470 167 HZ2 LYS 18 1HZ LYS 18 7.357 -3.683 8.972 168 HZ3 LYS 18 2HZ LYS 18 7.654 -5.187 9.685 169 H GLU 19 H GLU 19 8.701 -6.360 4.845 170 HA GLU 19 HA GLU 19 7.242 -8.765 4.004 171 HB2 GLU 19 2HB GLU 19 9.854 -8.705 5.485 172 HB3 GLU 19 1HB GLU 19 9.170 -10.030 4.561 173 HG2 GLU 19 2HG GLU 19 9.403 -8.565 2.521 174 HG3 GLU 19 1HG GLU 19 10.368 -7.480 3.526 175 H ALA 20 H ALA 20 5.738 -9.485 5.348 176 HA ALA 20 HA ALA 20 6.275 -9.464 8.228 177 HB1 ALA 20 1HB ALA 20 4.477 -8.237 8.821 178 HB2 ALA 20 2HB ALA 20 3.492 -8.837 7.488 179 HB3 ALA 20 3HB ALA 20 4.673 -7.559 7.205 180 H VAL 21 H VAL 21 5.464 -11.197 9.337 181 HA VAL 21 HA VAL 21 4.932 -13.561 7.939 182 HB VAL 21 HB VAL 21 4.192 -14.478 10.153 183 HG11 VAL 21 1HG1 VAL 21 6.802 -12.994 9.946 184 HG12 VAL 21 2HG1 VAL 21 6.484 -14.690 9.582 185 HG13 VAL 21 3HG1 VAL 21 6.431 -14.122 11.250 186 HG21 VAL 21 3HG2 VAL 21 4.462 -13.071 12.137 187 HG22 VAL 21 1HG2 VAL 21 3.208 -12.442 11.071 188 HG23 VAL 21 2HG2 VAL 21 4.798 -11.680 11.109 189 H ASP 22 H ASP 22 2.718 -11.288 9.530 190 HA ASP 22 HA ASP 22 0.468 -12.748 8.315 191 HB2 ASP 22 2HB ASP 22 -0.948 -11.815 10.065 192 HB3 ASP 22 1HB ASP 22 0.423 -12.648 10.788 193 H ALA 23 H ALA 23 -1.489 -10.798 8.513 194 HA ALA 23 HA ALA 23 -0.548 -8.881 6.501 195 HB1 ALA 23 1HB ALA 23 -2.421 -10.291 5.837 196 HB2 ALA 23 2HB ALA 23 -2.898 -8.595 5.915 197 HB3 ALA 23 3HB ALA 23 -3.361 -9.701 7.209 198 H GLY 24 H GLY 24 -2.146 -9.089 9.632 199 HA2 GLY 24 2HA GLY 24 -3.064 -6.522 9.994 200 HA3 GLY 24 1HA GLY 24 -2.380 -7.501 11.285 201 H THR 25 H THR 25 0.245 -7.657 10.046 202 HA THR 25 HA THR 25 1.306 -5.176 11.052 203 HB THR 25 HB THR 25 2.753 -7.489 9.744 204 HG1 THR 25 1HG THR 25 2.103 -8.448 11.504 205 HG21 THR 25 3HG2 THR 25 4.739 -6.677 10.536 206 HG22 THR 25 1HG2 THR 25 3.969 -5.694 11.780 207 HG23 THR 25 2HG2 THR 25 3.912 -5.183 10.093 208 H ALA 26 H ALA 26 0.623 -6.608 7.955 209 HA ALA 26 HA ALA 26 2.240 -4.769 6.447 210 HB1 ALA 26 1HB ALA 26 0.016 -6.151 5.092 211 HB2 ALA 26 2HB ALA 26 1.208 -7.191 5.871 212 HB3 ALA 26 3HB ALA 26 1.718 -6.029 4.646 213 H GLU 27 H GLU 27 -1.172 -5.079 7.300 214 HA GLU 27 HA GLU 27 -2.107 -2.913 5.741 215 HB2 GLU 27 2HB GLU 27 -3.606 -4.634 6.638 216 HB3 GLU 27 1HB GLU 27 -3.252 -4.103 8.275 217 HG2 GLU 27 2HG GLU 27 -4.799 -2.525 8.182 218 HG3 GLU 27 1HG GLU 27 -4.158 -1.897 6.664 219 H LYS 28 H LYS 28 -1.511 -3.116 9.257 220 HA LYS 28 HA LYS 28 -1.888 -0.423 9.844 221 HB2 LYS 28 2HB LYS 28 -0.570 -2.717 11.148 222 HB3 LYS 28 1HB LYS 28 0.011 -1.140 11.664 223 HG2 LYS 28 2HG LYS 28 -2.908 -1.386 11.543 224 HG3 LYS 28 1HG LYS 28 -2.119 -2.429 12.728 225 HD2 LYS 28 2HD LYS 28 -0.830 -0.253 13.366 226 HD3 LYS 28 1HD LYS 28 -2.179 0.556 12.565 227 HE2 LYS 28 2HE LYS 28 -2.544 0.338 14.981 228 HE3 LYS 28 1HE LYS 28 -3.751 -0.547 14.051 229 HZ1 LYS 28 3HZ LYS 28 -1.380 -2.028 14.873 230 HZ2 LYS 28 1HZ LYS 28 -2.992 -2.531 14.780 231 HZ3 LYS 28 2HZ LYS 28 -2.470 -1.607 16.096 232 H TYR 29 H TYR 29 1.023 -2.103 8.739 233 HA TYR 29 HA TYR 29 2.733 0.169 9.019 234 HB2 TYR 29 2HB TYR 29 3.709 -2.059 9.012 235 HB3 TYR 29 1HB TYR 29 3.061 -2.373 7.398 236 HD1 TYR 29 2HD TYR 29 3.924 -0.887 5.488 237 HD2 TYR 29 1HD TYR 29 5.833 -1.146 9.279 238 HE1 TYR 29 2HE TYR 29 5.999 -0.022 4.494 239 HE2 TYR 29 1HE TYR 29 7.915 -0.279 8.296 240 HH TYR 29 HH TYR 29 8.652 1.012 6.387 241 H PHE 30 H PHE 30 0.984 -1.302 6.307 242 HA PHE 30 HA PHE 30 1.902 0.471 4.317 243 HB2 PHE 30 2HB PHE 30 -0.390 -1.424 4.582 244 HB3 PHE 30 1HB PHE 30 -0.484 -0.202 3.314 245 HD1 PHE 30 1HD PHE 30 2.907 -0.995 3.846 246 HD2 PHE 30 2HD PHE 30 -0.650 -2.491 2.047 247 HE1 PHE 30 1HE PHE 30 4.259 -2.423 2.369 248 HE2 PHE 30 2HE PHE 30 0.701 -3.924 0.568 249 HZ PHE 30 HZ PHE 30 3.155 -3.888 0.730 250 H LYS 31 H LYS 31 -0.915 0.528 6.455 251 HA LYS 31 HA LYS 31 -2.157 2.812 5.447 252 HB2 LYS 31 2HB LYS 31 -2.934 1.119 7.258 253 HB3 LYS 31 1HB LYS 31 -2.123 2.197 8.386 254 HG2 LYS 31 2HG LYS 31 -4.082 3.338 6.458 255 HG3 LYS 31 1HG LYS 31 -4.673 2.458 7.869 256 HD2 LYS 31 2HD LYS 31 -2.577 4.318 8.586 257 HD3 LYS 31 1HD LYS 31 -3.903 5.135 7.758 258 HE2 LYS 31 2HE LYS 31 -4.143 3.348 10.177 259 HE3 LYS 31 1HE LYS 31 -4.263 5.108 10.169 260 HZ1 LYS 31 3HZ LYS 31 -6.164 4.750 8.538 261 HZ2 LYS 31 1HZ LYS 31 -6.454 4.361 10.160 262 HZ3 LYS 31 2HZ LYS 31 -6.149 3.134 9.036 263 H LEU 32 H LEU 32 0.568 2.479 7.655 264 HA LEU 32 HA LEU 32 0.633 5.182 8.504 265 HB2 LEU 32 2HB LEU 32 2.731 3.018 8.462 266 HB3 LEU 32 1HB LEU 32 3.006 4.614 9.147 267 HG LEU 32 HG LEU 32 1.887 2.317 10.391 268 HD11 LEU 32 1HD1 LEU 32 3.412 3.751 11.501 269 HD12 LEU 32 2HD1 LEU 32 1.878 3.864 12.365 270 HD13 LEU 32 3HD1 LEU 32 2.367 5.152 11.262 271 HD21 LEU 32 3HD2 LEU 32 -0.310 2.991 9.632 272 HD22 LEU 32 1HD2 LEU 32 -0.046 4.628 10.230 273 HD23 LEU 32 2HD2 LEU 32 -0.162 3.283 11.363 274 H ILE 33 H ILE 33 2.161 3.437 5.830 275 HA ILE 33 HA ILE 33 3.685 5.747 5.008 276 HB ILE 33 HB ILE 33 4.566 3.474 4.645 277 HG12 ILE 33 2HG1 ILE 33 4.692 3.913 1.938 278 HG13 ILE 33 1HG1 ILE 33 4.249 5.506 2.544 279 HG21 ILE 33 1HG2 ILE 33 2.227 3.215 2.770 280 HG22 ILE 33 2HG2 ILE 33 2.578 2.243 4.197 281 HG23 ILE 33 3HG2 ILE 33 3.613 2.126 2.776 282 HD11 ILE 33 3HD1 ILE 33 6.593 5.472 2.443 283 HD12 ILE 33 1HD1 ILE 33 6.682 3.882 3.197 284 HD13 ILE 33 2HD1 ILE 33 6.188 5.282 4.150 285 H ALA 34 H ALA 34 0.707 4.132 4.088 286 HA ALA 34 HA ALA 34 0.255 5.515 1.670 287 HB1 ALA 34 1HB ALA 34 -0.925 3.440 2.351 288 HB2 ALA 34 2HB ALA 34 -2.013 4.723 1.823 289 HB3 ALA 34 3HB ALA 34 -1.820 4.382 3.543 290 H ASN 35 H ASN 35 -1.383 5.982 4.805 291 HA ASN 35 HA ASN 35 -2.584 8.415 4.169 292 HB2 ASN 35 2HB ASN 35 -1.934 6.985 6.701 293 HB3 ASN 35 1HB ASN 35 -2.377 8.686 6.816 294 HD21 ASN 35 1HD2 ASN 35 -3.597 6.408 4.425 295 HD22 ASN 35 2HD2 ASN 35 -5.231 6.422 4.983 296 H ALA 36 H ALA 36 0.637 7.733 5.421 297 HA ALA 36 HA ALA 36 1.301 10.385 6.137 298 HB1 ALA 36 1HB ALA 36 3.652 9.564 6.049 299 HB2 ALA 36 2HB ALA 36 3.041 8.032 5.421 300 HB3 ALA 36 3HB ALA 36 2.576 8.573 7.035 301 H LYS 37 H LYS 37 2.306 8.481 3.288 302 HA LYS 37 HA LYS 37 3.063 10.960 1.949 303 HB2 LYS 37 2HB LYS 37 4.405 9.719 0.536 304 HB3 LYS 37 1HB LYS 37 4.479 8.780 2.015 305 HG2 LYS 37 2HG LYS 37 3.359 7.016 1.115 306 HG3 LYS 37 1HG LYS 37 2.399 8.026 0.033 307 HD2 LYS 37 2HD LYS 37 5.349 7.517 -0.313 308 HD3 LYS 37 1HD LYS 37 4.088 6.570 -1.106 309 HE2 LYS 37 2HE LYS 37 4.596 9.520 -1.418 310 HE3 LYS 37 1HE LYS 37 4.909 8.269 -2.618 311 HZ1 LYS 37 3HZ LYS 37 2.270 9.176 -1.611 312 HZ2 LYS 37 1HZ LYS 37 2.479 7.796 -2.569 313 HZ3 LYS 37 2HZ LYS 37 2.877 9.320 -3.183 314 H THR 38 H THR 38 0.218 9.933 2.390 315 HA THR 38 HA THR 38 -0.789 10.803 -0.144 316 HB THR 38 HB THR 38 -1.864 8.121 0.510 317 HG1 THR 38 1HG THR 38 0.622 8.384 -0.820 318 HG21 THR 38 3HG2 THR 38 -2.205 9.803 -1.578 319 HG22 THR 38 1HG2 THR 38 -2.482 8.063 -1.635 320 HG23 THR 38 2HG2 THR 38 -0.951 8.731 -2.202 321 H VAL 39 H VAL 39 -2.954 11.403 -0.045 322 HA VAL 39 HA VAL 39 -4.394 10.895 2.449 323 HB VAL 39 HB VAL 39 -4.196 13.672 1.303 324 HG11 VAL 39 1HG1 VAL 39 -5.604 12.412 3.575 325 HG12 VAL 39 2HG1 VAL 39 -6.086 13.761 2.553 326 HG13 VAL 39 3HG1 VAL 39 -4.917 14.008 3.852 327 HG21 VAL 39 3HG2 VAL 39 -2.403 12.242 3.148 328 HG22 VAL 39 1HG2 VAL 39 -2.895 13.852 3.659 329 HG23 VAL 39 2HG2 VAL 39 -2.088 13.628 2.106 330 H GLU 40 H GLU 40 -4.688 9.974 -0.331 331 HA GLU 40 HA GLU 40 -7.470 10.107 -0.565 332 HB2 GLU 40 2HB GLU 40 -6.496 12.484 -1.342 333 HB3 GLU 40 1HB GLU 40 -6.373 11.609 -2.869 334 HG2 GLU 40 2HG GLU 40 -8.563 11.724 -3.222 335 HG3 GLU 40 1HG GLU 40 -8.937 11.212 -1.579 336 H GLY 41 H GLY 41 -8.048 8.339 -1.650 337 HA2 GLY 41 2HA GLY 41 -7.146 7.512 -4.136 338 HA3 GLY 41 1HA GLY 41 -6.102 6.721 -2.959 339 H VAL 42 H VAL 42 -7.548 5.132 -4.570 340 HA VAL 42 HA VAL 42 -9.846 4.271 -2.951 341 HB VAL 42 HB VAL 42 -10.452 2.863 -4.952 342 HG11 VAL 42 1HG1 VAL 42 -11.312 4.819 -6.270 343 HG12 VAL 42 2HG1 VAL 42 -10.395 5.862 -5.184 344 HG13 VAL 42 3HG1 VAL 42 -11.690 4.847 -4.548 345 HG21 VAL 42 3HG2 VAL 42 -9.381 3.008 -6.964 346 HG22 VAL 42 1HG2 VAL 42 -8.010 3.244 -5.885 347 HG23 VAL 42 2HG2 VAL 42 -8.774 4.633 -6.652 348 H TRP 43 H TRP 43 -9.333 2.805 -1.546 349 HA TRP 43 HA TRP 43 -7.044 1.199 -1.601 350 HB2 TRP 43 2HB TRP 43 -9.476 1.549 0.054 351 HB3 TRP 43 1HB TRP 43 -8.629 0.032 0.234 352 HD1 TRP 43 HD TRP 43 -8.045 3.825 0.596 353 HE1 TRP 43 1HE TRP 43 -6.171 4.224 2.296 354 HE3 TRP 43 3HE TRP 43 -6.632 -1.041 1.430 355 HZ2 TRP 43 2HZ TRP 43 -4.345 2.728 3.790 356 HZ3 TRP 43 3HZ TRP 43 -4.746 -1.451 3.072 357 HH2 TRP 43 HH TRP 43 -3.666 0.410 4.191 358 H THR 44 H THR 44 -6.691 -0.753 -2.444 359 HA THR 44 HA THR 44 -8.871 -2.589 -2.980 360 HB THR 44 HB THR 44 -7.875 -2.919 -5.362 361 HG1 THR 44 1HG THR 44 -6.623 -1.399 -6.100 362 HG21 THR 44 3HG2 THR 44 -9.294 -1.130 -6.325 363 HG22 THR 44 1HG2 THR 44 -9.569 -0.530 -4.690 364 HG23 THR 44 2HG2 THR 44 -10.118 -2.145 -5.142 365 H TYR 45 H TYR 45 -8.069 -4.758 -3.544 366 HA TYR 45 HA TYR 45 -5.222 -5.167 -3.087 367 HB2 TYR 45 2HB TYR 45 -5.629 -5.591 -0.900 368 HB3 TYR 45 1HB TYR 45 -7.340 -5.928 -1.166 369 HD1 TYR 45 1HD TYR 45 -7.958 -8.217 -2.123 370 HD2 TYR 45 2HD TYR 45 -4.101 -7.326 -0.562 371 HE1 TYR 45 1HE TYR 45 -7.517 -10.621 -1.853 372 HE2 TYR 45 2HE TYR 45 -3.650 -9.727 -0.288 373 HH TYR 45 HH TYR 45 -5.669 -12.144 -1.653 374 H LYS 46 H LYS 46 -4.361 -6.891 -4.104 375 HA LYS 46 HA LYS 46 -6.204 -8.447 -5.785 376 HB2 LYS 46 2HB LYS 46 -3.240 -8.265 -6.251 377 HB3 LYS 46 1HB LYS 46 -4.520 -8.644 -7.402 378 HG2 LYS 46 2HG LYS 46 -5.191 -6.115 -6.632 379 HG3 LYS 46 1HG LYS 46 -3.428 -6.060 -6.583 380 HD2 LYS 46 2HD LYS 46 -5.103 -6.959 -8.922 381 HD3 LYS 46 1HD LYS 46 -4.288 -5.402 -8.780 382 HE2 LYS 46 2HE LYS 46 -2.566 -7.747 -8.372 383 HE3 LYS 46 1HE LYS 46 -3.231 -7.589 -9.997 384 HZ1 LYS 46 3HZ LYS 46 -2.222 -5.510 -10.272 385 HZ2 LYS 46 1HZ LYS 46 -1.028 -6.461 -9.540 386 HZ3 LYS 46 2HZ LYS 46 -1.891 -5.335 -8.629 387 H ASP 47 H ASP 47 -6.327 -10.587 -5.595 388 HA ASP 47 HA ASP 47 -4.847 -11.871 -3.455 389 HB2 ASP 47 2HB ASP 47 -7.370 -12.116 -3.888 390 HB3 ASP 47 1HB ASP 47 -6.908 -13.190 -5.211 391 H GLU 48 H GLU 48 -3.034 -12.900 -3.794 392 HA GLU 48 HA GLU 48 -2.476 -14.962 -5.456 393 HB2 GLU 48 2HB GLU 48 -1.029 -13.778 -7.239 394 HB3 GLU 48 1HB GLU 48 -2.768 -13.836 -7.481 395 HG2 GLU 48 2HG GLU 48 -2.415 -11.480 -6.124 396 HG3 GLU 48 1HG GLU 48 -0.994 -11.556 -7.157 397 H ILE 49 H ILE 49 -0.781 -11.861 -4.963 398 HA ILE 49 HA ILE 49 1.257 -13.333 -3.431 399 HB ILE 49 HB ILE 49 2.924 -11.695 -4.205 400 HG12 ILE 49 2HG1 ILE 49 1.785 -10.622 -6.512 401 HG13 ILE 49 1HG1 ILE 49 0.548 -10.412 -5.286 402 HG21 ILE 49 1HG2 ILE 49 3.386 -12.778 -6.179 403 HG22 ILE 49 2HG2 ILE 49 1.695 -12.821 -6.678 404 HG23 ILE 49 3HG2 ILE 49 2.269 -13.904 -5.408 405 HD11 ILE 49 3HD1 ILE 49 2.666 -8.740 -5.761 406 HD12 ILE 49 1HD1 ILE 49 3.198 -9.669 -4.360 407 HD13 ILE 49 2HD1 ILE 49 1.679 -8.774 -4.299 408 H LYS 50 H LYS 50 -1.261 -11.677 -2.793 409 HA LYS 50 HA LYS 50 -1.956 -10.267 -1.155 410 HB2 LYS 50 2HB LYS 50 0.645 -11.281 -0.195 411 HB3 LYS 50 1HB LYS 50 0.077 -9.808 0.579 412 HG2 LYS 50 2HG LYS 50 -0.630 -11.717 1.856 413 HG3 LYS 50 1HG LYS 50 -2.040 -10.943 1.128 414 HD2 LYS 50 2HD LYS 50 -2.272 -13.317 0.881 415 HD3 LYS 50 1HD LYS 50 -1.932 -12.625 -0.707 416 HE2 LYS 50 2HE LYS 50 -0.274 -14.098 -0.891 417 HE3 LYS 50 1HE LYS 50 0.572 -13.197 0.367 418 HZ1 LYS 50 3HZ LYS 50 0.529 -15.225 1.339 419 HZ2 LYS 50 1HZ LYS 50 -0.877 -15.724 0.542 420 HZ3 LYS 50 2HZ LYS 50 -0.983 -14.690 1.877 421 H THR 51 H THR 51 -2.175 -8.483 -2.593 422 HA THR 51 HA THR 51 -0.238 -6.370 -2.029 423 HB THR 51 HB THR 51 0.624 -7.115 -4.091 424 HG1 THR 51 1HG THR 51 0.287 -5.357 -5.381 425 HG21 THR 51 3HG2 THR 51 -1.607 -8.379 -4.636 426 HG22 THR 51 1HG2 THR 51 -0.502 -7.873 -5.915 427 HG23 THR 51 2HG2 THR 51 -1.942 -6.916 -5.564 428 H PHE 52 H PHE 52 -1.038 -4.343 -1.951 429 HA PHE 52 HA PHE 52 -3.920 -4.019 -2.461 430 HB2 PHE 52 2HB PHE 52 -2.400 -2.465 -0.376 431 HB3 PHE 52 1HB PHE 52 -4.141 -2.650 -0.543 432 HD1 PHE 52 1HD PHE 52 -1.078 -4.681 0.071 433 HD2 PHE 52 2HD PHE 52 -5.235 -4.152 0.811 434 HE1 PHE 52 1HE PHE 52 -1.027 -6.547 1.674 435 HE2 PHE 52 2HE PHE 52 -5.192 -6.018 2.414 436 HZ PHE 52 HZ PHE 52 -3.085 -7.218 2.847 437 H THR 53 H THR 53 -4.577 -1.752 -2.944 438 HA THR 53 HA THR 53 -2.433 -0.051 -3.928 439 HB THR 53 HB THR 53 -4.644 -1.109 -5.704 440 HG1 THR 53 1HG THR 53 -1.980 -1.715 -5.385 441 HG21 THR 53 3HG2 THR 53 -3.980 0.254 -7.457 442 HG22 THR 53 1HG2 THR 53 -2.474 0.719 -6.669 443 HG23 THR 53 2HG2 THR 53 -4.015 1.349 -6.078 444 H VAL 54 H VAL 54 -2.993 2.112 -4.207 445 HA VAL 54 HA VAL 54 -5.716 2.913 -3.464 446 HB VAL 54 HB VAL 54 -3.858 2.993 -1.539 447 HG11 VAL 54 1HG1 VAL 54 -2.836 5.133 -1.272 448 HG12 VAL 54 2HG1 VAL 54 -3.620 5.752 -2.726 449 HG13 VAL 54 3HG1 VAL 54 -2.374 4.510 -2.855 450 HG21 VAL 54 3HG2 VAL 54 -5.929 3.554 -0.821 451 HG22 VAL 54 1HG2 VAL 54 -6.209 4.681 -2.148 452 HG23 VAL 54 2HG2 VAL 54 -5.199 5.158 -0.784 453 H THR 55 H THR 55 -6.351 3.821 -5.315 454 HA THR 55 HA THR 55 -4.513 5.684 -6.663 455 HB THR 55 HB THR 55 -6.931 4.267 -7.797 456 HG1 THR 55 1HG THR 55 -5.343 3.033 -8.896 457 HG21 THR 55 3HG2 THR 55 -6.718 6.033 -9.227 458 HG22 THR 55 1HG2 THR 55 -5.610 4.876 -9.964 459 HG23 THR 55 2HG2 THR 55 -4.980 6.183 -8.962 460 H GLU 56 H GLU 56 -5.022 7.776 -6.905 461 HA GLU 56 HA GLU 56 -7.442 8.748 -5.623 462 HB2 GLU 56 2HB GLU 56 -5.351 9.860 -5.091 463 HB3 GLU 56 1HB GLU 56 -5.073 10.211 -6.795 464 HG2 GLU 56 2HG GLU 56 -7.613 11.250 -6.115 465 HG3 GLU 56 1HG GLU 56 -6.477 11.747 -4.862 Start of MODEL 15 1 H1 THR 1 1HT THR 1 5.121 -13.197 5.218 2 H2 THR 1 2HT THR 1 5.967 -14.117 4.042 3 H3 THR 1 3HT THR 1 4.583 -14.776 4.816 4 HA THR 1 HA THR 1 4.255 -13.967 2.520 5 HB THR 1 HB THR 1 2.544 -12.447 4.454 6 HG1 THR 1 1HG THR 1 2.667 -15.272 4.257 7 HG21 THR 1 1HG2 THR 1 1.706 -12.461 2.241 8 HG22 THR 1 2HG2 THR 1 0.731 -13.596 3.175 9 HG23 THR 1 3HG2 THR 1 1.978 -14.196 2.081 10 H THR 2 H THR 2 4.999 -12.486 1.162 11 HA THR 2 HA THR 2 5.861 -9.891 2.150 12 HB THR 2 HB THR 2 6.806 -9.588 -0.097 13 HG1 THR 2 1HG THR 2 5.745 -12.155 -0.661 14 HG21 THR 2 3HG2 THR 2 8.594 -10.726 0.511 15 HG22 THR 2 1HG2 THR 2 7.798 -12.249 0.116 16 HG23 THR 2 2HG2 THR 2 7.626 -11.558 1.729 17 H TYR 3 H TYR 3 4.637 -8.134 2.066 18 HA TYR 3 HA TYR 3 2.309 -8.135 0.264 19 HB2 TYR 3 2HB TYR 3 2.744 -6.555 2.811 20 HB3 TYR 3 1HB TYR 3 1.291 -6.519 1.809 21 HD1 TYR 3 2HD TYR 3 3.362 -8.716 3.968 22 HD2 TYR 3 1HD TYR 3 -0.406 -8.133 2.078 23 HE1 TYR 3 2HE TYR 3 2.436 -10.599 5.247 24 HE2 TYR 3 1HE TYR 3 -1.342 -10.014 3.354 25 HH TYR 3 HH TYR 3 0.327 -11.467 5.982 26 H LYS 4 H LYS 4 1.859 -6.337 -1.000 27 HA LYS 4 HA LYS 4 3.891 -4.211 -1.060 28 HB2 LYS 4 2HB LYS 4 2.759 -5.530 -3.533 29 HB3 LYS 4 1HB LYS 4 4.012 -4.294 -3.470 30 HG2 LYS 4 2HG LYS 4 5.603 -5.786 -2.632 31 HG3 LYS 4 1HG LYS 4 4.378 -6.966 -2.162 32 HD2 LYS 4 2HD LYS 4 3.872 -7.375 -4.523 33 HD3 LYS 4 1HD LYS 4 5.103 -6.201 -4.990 34 HE2 LYS 4 2HE LYS 4 6.819 -7.573 -3.918 35 HE3 LYS 4 1HE LYS 4 5.591 -8.744 -3.441 36 HZ1 LYS 4 3HZ LYS 4 5.257 -8.451 -6.141 37 HZ2 LYS 4 1HZ LYS 4 6.014 -9.746 -5.362 38 HZ3 LYS 4 2HZ LYS 4 6.936 -8.450 -5.940 39 H LEU 5 H LEU 5 3.196 -2.208 -1.853 40 HA LEU 5 HA LEU 5 0.294 -1.924 -2.162 41 HB2 LEU 5 2HB LEU 5 0.520 -1.149 -0.010 42 HB3 LEU 5 1HB LEU 5 2.154 -0.550 -0.290 43 HG LEU 5 HG LEU 5 1.328 1.415 -1.385 44 HD11 LEU 5 1HD1 LEU 5 -0.940 -0.212 -1.940 45 HD12 LEU 5 2HD1 LEU 5 -0.534 1.377 -2.584 46 HD13 LEU 5 3HD1 LEU 5 -1.482 1.241 -1.103 47 HD21 LEU 5 3HD2 LEU 5 1.172 2.111 0.739 48 HD22 LEU 5 1HD2 LEU 5 0.305 0.665 1.252 49 HD23 LEU 5 2HD2 LEU 5 -0.569 1.991 0.485 50 H ILE 6 H ILE 6 -0.344 -0.731 -3.848 51 HA ILE 6 HA ILE 6 1.718 0.748 -5.335 52 HB ILE 6 HB ILE 6 -0.915 -0.292 -6.361 53 HG12 ILE 6 2HG1 ILE 6 0.672 -2.094 -5.760 54 HG13 ILE 6 1HG1 ILE 6 0.360 -2.014 -7.492 55 HG21 ILE 6 1HG2 ILE 6 -0.005 1.727 -7.496 56 HG22 ILE 6 2HG2 ILE 6 -0.151 0.314 -8.541 57 HG23 ILE 6 3HG2 ILE 6 1.427 0.782 -7.907 58 HD11 ILE 6 3HD1 ILE 6 2.555 -0.367 -7.062 59 HD12 ILE 6 1HD1 ILE 6 2.544 -1.968 -7.797 60 HD13 ILE 6 2HD1 ILE 6 2.834 -1.794 -6.067 61 H LEU 7 H LEU 7 1.677 2.826 -4.784 62 HA LEU 7 HA LEU 7 -0.887 4.128 -4.240 63 HB2 LEU 7 2HB LEU 7 1.891 5.243 -3.873 64 HB3 LEU 7 1HB LEU 7 0.389 5.902 -3.235 65 HG LEU 7 HG LEU 7 1.240 3.149 -2.429 66 HD11 LEU 7 1HD1 LEU 7 2.515 5.716 -1.630 67 HD12 LEU 7 2HD1 LEU 7 3.227 4.115 -1.842 68 HD13 LEU 7 3HD1 LEU 7 2.268 4.470 -0.404 69 HD21 LEU 7 3HD2 LEU 7 0.155 4.016 -0.283 70 HD22 LEU 7 1HD2 LEU 7 -0.899 3.707 -1.660 71 HD23 LEU 7 2HD2 LEU 7 -0.424 5.358 -1.267 72 H ASN 8 H ASN 8 -1.816 5.465 -5.643 73 HA ASN 8 HA ASN 8 -0.169 6.609 -7.798 74 HB2 ASN 8 2HB ASN 8 -1.609 4.697 -8.584 75 HB3 ASN 8 1HB ASN 8 -3.017 5.654 -8.135 76 HD21 ASN 8 1HD2 ASN 8 0.011 6.642 -9.681 77 HD22 ASN 8 2HD2 ASN 8 -0.734 7.244 -11.112 78 H LEU 9 H LEU 9 -0.013 8.671 -7.126 79 HA LEU 9 HA LEU 9 -2.514 10.090 -6.494 80 HB2 LEU 9 2HB LEU 9 -1.026 11.744 -5.328 81 HB3 LEU 9 1HB LEU 9 -1.128 10.159 -4.575 82 HG LEU 9 HG LEU 9 1.086 10.097 -6.349 83 HD11 LEU 9 1HD1 LEU 9 0.732 12.686 -4.964 84 HD12 LEU 9 2HD1 LEU 9 1.599 12.297 -6.450 85 HD13 LEU 9 3HD1 LEU 9 2.335 11.951 -4.886 86 HD21 LEU 9 3HD2 LEU 9 2.336 9.696 -4.292 87 HD22 LEU 9 1HD2 LEU 9 0.826 8.797 -4.303 88 HD23 LEU 9 2HD2 LEU 9 0.965 10.266 -3.341 89 H LYS 10 H LYS 10 -2.051 12.611 -6.864 90 HA LYS 10 HA LYS 10 -1.549 12.844 -9.713 91 HB2 LYS 10 2HB LYS 10 -2.988 14.374 -7.672 92 HB3 LYS 10 1HB LYS 10 -2.119 15.388 -8.817 93 HG2 LYS 10 2HG LYS 10 -3.584 13.250 -10.126 94 HG3 LYS 10 1HG LYS 10 -4.627 14.300 -9.164 95 HD2 LYS 10 2HD LYS 10 -2.598 15.577 -10.920 96 HD3 LYS 10 1HD LYS 10 -4.025 14.864 -11.677 97 HE2 LYS 10 2HE LYS 10 -4.944 16.876 -11.269 98 HE3 LYS 10 1HE LYS 10 -5.168 16.231 -9.642 99 HZ1 LYS 10 3HZ LYS 10 -4.095 18.128 -9.111 100 HZ2 LYS 10 1HZ LYS 10 -3.299 18.255 -10.603 101 HZ3 LYS 10 2HZ LYS 10 -2.717 17.198 -9.418 102 H GLN 11 H GLN 11 0.796 12.221 -8.470 103 HA GLN 11 HA GLN 11 2.554 14.182 -9.366 104 HB2 GLN 11 2HB GLN 11 1.830 15.527 -7.503 105 HB3 GLN 11 1HB GLN 11 2.126 14.207 -6.373 106 HG2 GLN 11 2HG GLN 11 4.574 14.350 -6.978 107 HG3 GLN 11 1HG GLN 11 4.183 15.756 -7.975 108 HE21 GLN 11 1HE2 GLN 11 2.419 17.108 -6.486 109 HE22 GLN 11 2HE2 GLN 11 3.149 17.650 -5.016 110 H ALA 12 H ALA 12 3.188 12.073 -10.200 111 HA ALA 12 HA ALA 12 4.657 10.332 -10.309 112 HB1 ALA 12 1HB ALA 12 5.794 11.342 -7.709 113 HB2 ALA 12 2HB ALA 12 6.200 12.013 -9.289 114 HB3 ALA 12 3HB ALA 12 6.596 10.336 -8.916 115 H LYS 13 H LYS 13 4.620 8.197 -9.757 116 HA LYS 13 HA LYS 13 2.797 7.467 -7.603 117 HB2 LYS 13 2HB LYS 13 2.742 5.272 -8.635 118 HB3 LYS 13 1HB LYS 13 2.457 6.503 -9.849 119 HG2 LYS 13 2HG LYS 13 5.008 6.310 -10.277 120 HG3 LYS 13 1HG LYS 13 4.846 4.763 -9.454 121 HD2 LYS 13 2HD LYS 13 4.184 3.879 -11.385 122 HD3 LYS 13 1HD LYS 13 2.727 4.869 -11.282 123 HE2 LYS 13 2HE LYS 13 5.320 5.545 -12.656 124 HE3 LYS 13 1HE LYS 13 3.747 5.270 -13.396 125 HZ1 LYS 13 3HZ LYS 13 4.714 7.604 -11.924 126 HZ2 LYS 13 1HZ LYS 13 3.062 7.244 -11.874 127 HZ3 LYS 13 2HZ LYS 13 3.822 7.534 -13.359 128 H GLU 14 H GLU 14 3.315 5.962 -5.986 129 HA GLU 14 HA GLU 14 6.181 5.396 -5.640 130 HB2 GLU 14 2HB GLU 14 4.534 7.092 -4.015 131 HB3 GLU 14 1HB GLU 14 5.025 5.687 -3.065 132 HG2 GLU 14 2HG GLU 14 7.232 6.786 -4.581 133 HG3 GLU 14 1HG GLU 14 6.493 7.992 -3.527 134 H GLU 15 H GLU 15 6.671 3.371 -4.979 135 HA GLU 15 HA GLU 15 4.406 1.574 -4.433 136 HB2 GLU 15 2HB GLU 15 7.085 1.092 -5.714 137 HB3 GLU 15 1HB GLU 15 6.096 -0.230 -5.110 138 HG2 GLU 15 2HG GLU 15 4.255 0.596 -6.592 139 HG3 GLU 15 1HG GLU 15 5.417 1.721 -7.294 140 H ALA 16 H ALA 16 4.237 0.690 -2.496 141 HA ALA 16 HA ALA 16 6.572 0.767 -0.703 142 HB1 ALA 16 1HB ALA 16 4.279 1.978 -0.201 143 HB2 ALA 16 2HB ALA 16 5.199 1.191 1.080 144 HB3 ALA 16 3HB ALA 16 3.818 0.369 0.352 145 H ILE 17 H ILE 17 7.227 -1.091 0.330 146 HA ILE 17 HA ILE 17 5.611 -3.488 0.146 147 HB ILE 17 HB ILE 17 7.185 -4.853 -1.024 148 HG12 ILE 17 2HG1 ILE 17 8.971 -2.509 -1.618 149 HG13 ILE 17 1HG1 ILE 17 9.200 -3.439 -0.139 150 HG21 ILE 17 1HG2 ILE 17 6.851 -2.292 -2.581 151 HG22 ILE 17 2HG2 ILE 17 5.593 -3.509 -2.356 152 HG23 ILE 17 3HG2 ILE 17 7.065 -3.916 -3.239 153 HD11 ILE 17 3HD1 ILE 17 8.966 -5.203 -2.381 154 HD12 ILE 17 1HD1 ILE 17 10.292 -5.003 -1.242 155 HD13 ILE 17 2HD1 ILE 17 10.208 -3.987 -2.680 156 H LYS 18 H LYS 18 6.271 -5.179 1.476 157 HA LYS 18 HA LYS 18 8.621 -5.075 3.069 158 HB2 LYS 18 2HB LYS 18 7.601 -3.293 4.242 159 HB3 LYS 18 1HB LYS 18 6.022 -4.072 4.210 160 HG2 LYS 18 2HG LYS 18 6.439 -4.767 6.279 161 HG3 LYS 18 1HG LYS 18 7.656 -5.850 5.603 162 HD2 LYS 18 2HD LYS 18 8.767 -3.227 5.816 163 HD3 LYS 18 1HD LYS 18 8.034 -3.665 7.360 164 HE2 LYS 18 2HE LYS 18 10.271 -4.416 7.444 165 HE3 LYS 18 1HE LYS 18 9.276 -5.849 7.200 166 HZ1 LYS 18 3HZ LYS 18 10.750 -6.251 5.576 167 HZ2 LYS 18 1HZ LYS 18 11.235 -4.633 5.441 168 HZ3 LYS 18 2HZ LYS 18 9.817 -5.164 4.681 169 H GLU 19 H GLU 19 8.975 -7.017 4.074 170 HA GLU 19 HA GLU 19 6.954 -9.084 3.607 171 HB2 GLU 19 2HB GLU 19 8.845 -10.667 4.034 172 HB3 GLU 19 1HB GLU 19 9.058 -9.626 2.633 173 HG2 GLU 19 2HG GLU 19 10.561 -8.199 3.875 174 HG3 GLU 19 1HG GLU 19 10.273 -9.132 5.343 175 H ALA 20 H ALA 20 5.755 -9.776 5.240 176 HA ALA 20 HA ALA 20 6.903 -9.807 7.942 177 HB1 ALA 20 1HB ALA 20 5.658 -7.861 8.122 178 HB2 ALA 20 2HB ALA 20 4.542 -9.090 8.721 179 HB3 ALA 20 3HB ALA 20 4.369 -8.465 7.079 180 H VAL 21 H VAL 21 5.987 -11.346 9.359 181 HA VAL 21 HA VAL 21 5.289 -13.789 8.170 182 HB VAL 21 HB VAL 21 6.326 -13.853 10.320 183 HG11 VAL 21 1HG1 VAL 21 4.030 -12.845 11.849 184 HG12 VAL 21 2HG1 VAL 21 4.899 -11.635 10.907 185 HG13 VAL 21 3HG1 VAL 21 5.759 -12.607 12.101 186 HG21 VAL 21 3HG2 VAL 21 4.638 -15.621 9.762 187 HG22 VAL 21 1HG2 VAL 21 3.480 -14.741 10.758 188 HG23 VAL 21 2HG2 VAL 21 4.943 -15.404 11.486 189 H ASP 22 H ASP 22 3.266 -11.403 9.861 190 HA ASP 22 HA ASP 22 0.886 -12.862 8.952 191 HB2 ASP 22 2HB ASP 22 -0.348 -11.591 10.640 192 HB3 ASP 22 1HB ASP 22 1.026 -12.410 11.371 193 H ALA 23 H ALA 23 -0.994 -10.848 8.982 194 HA ALA 23 HA ALA 23 -0.102 -9.182 6.726 195 HB1 ALA 23 1HB ALA 23 -1.872 -10.676 6.096 196 HB2 ALA 23 2HB ALA 23 -2.508 -9.032 6.143 197 HB3 ALA 23 3HB ALA 23 -2.859 -10.153 7.459 198 H GLY 24 H GLY 24 -1.692 -9.138 9.855 199 HA2 GLY 24 2HA GLY 24 -2.782 -6.615 9.945 200 HA3 GLY 24 1HA GLY 24 -2.026 -7.398 11.325 201 H THR 25 H THR 25 0.585 -7.490 9.920 202 HA THR 25 HA THR 25 1.526 -4.909 10.767 203 HB THR 25 HB THR 25 3.078 -7.105 9.387 204 HG1 THR 25 1HG THR 25 2.509 -6.709 12.133 205 HG21 THR 25 3HG2 THR 25 4.570 -5.383 9.435 206 HG22 THR 25 1HG2 THR 25 4.856 -6.096 11.022 207 HG23 THR 25 2HG2 THR 25 3.854 -4.653 10.870 208 H ALA 26 H ALA 26 0.823 -6.514 7.745 209 HA ALA 26 HA ALA 26 2.186 -4.634 6.078 210 HB1 ALA 26 1HB ALA 26 0.397 -6.949 5.679 211 HB2 ALA 26 2HB ALA 26 1.906 -6.527 4.871 212 HB3 ALA 26 3HB ALA 26 0.402 -5.738 4.398 213 H GLU 27 H GLU 27 -1.119 -5.012 7.249 214 HA GLU 27 HA GLU 27 -2.251 -2.930 5.685 215 HB2 GLU 27 2HB GLU 27 -3.623 -4.677 6.714 216 HB3 GLU 27 1HB GLU 27 -3.167 -4.112 8.315 217 HG2 GLU 27 2HG GLU 27 -4.367 -2.087 8.038 218 HG3 GLU 27 1HG GLU 27 -4.616 -2.396 6.320 219 H LYS 28 H LYS 28 -1.464 -3.024 9.170 220 HA LYS 28 HA LYS 28 -1.867 -0.318 9.684 221 HB2 LYS 28 2HB LYS 28 -0.767 -2.584 11.067 222 HB3 LYS 28 1HB LYS 28 0.249 -1.178 11.353 223 HG2 LYS 28 2HG LYS 28 -1.322 -0.116 12.575 224 HG3 LYS 28 1HG LYS 28 -2.657 -0.750 11.609 225 HD2 LYS 28 2HD LYS 28 -1.976 -3.027 12.711 226 HD3 LYS 28 1HD LYS 28 -1.236 -1.984 13.928 227 HE2 LYS 28 2HE LYS 28 -3.679 -0.825 13.644 228 HE3 LYS 28 1HE LYS 28 -4.068 -2.522 13.367 229 HZ1 LYS 28 3HZ LYS 28 -2.349 -1.964 15.641 230 HZ2 LYS 28 1HZ LYS 28 -3.628 -3.060 15.493 231 HZ3 LYS 28 2HZ LYS 28 -3.947 -1.426 15.779 232 H TYR 29 H TYR 29 1.055 -1.999 8.590 233 HA TYR 29 HA TYR 29 2.785 0.233 8.761 234 HB2 TYR 29 2HB TYR 29 3.780 -1.940 8.597 235 HB3 TYR 29 1HB TYR 29 2.906 -2.296 7.106 236 HD1 TYR 29 1HD TYR 29 3.524 -1.007 5.015 237 HD2 TYR 29 2HD TYR 29 5.892 -0.907 8.548 238 HE1 TYR 29 1HE TYR 29 5.438 -0.191 3.703 239 HE2 TYR 29 2HE TYR 29 7.811 -0.089 7.246 240 HH TYR 29 HH TYR 29 7.881 -0.135 3.849 241 H PHE 30 H PHE 30 1.021 -1.166 5.999 242 HA PHE 30 HA PHE 30 1.805 0.765 4.120 243 HB2 PHE 30 2HB PHE 30 -0.526 -1.134 4.278 244 HB3 PHE 30 1HB PHE 30 -0.415 0.043 2.969 245 HD1 PHE 30 2HD PHE 30 2.847 -0.393 3.259 246 HD2 PHE 30 1HD PHE 30 -0.564 -2.795 2.395 247 HE1 PHE 30 2HE PHE 30 4.269 -1.956 2.001 248 HE2 PHE 30 1HE PHE 30 0.858 -4.360 1.135 249 HZ PHE 30 HZ PHE 30 3.275 -3.940 0.938 250 H LYS 31 H LYS 31 -0.969 0.609 6.312 251 HA LYS 31 HA LYS 31 -2.312 2.887 5.403 252 HB2 LYS 31 2HB LYS 31 -2.870 1.034 7.247 253 HB3 LYS 31 1HB LYS 31 -2.324 2.316 8.318 254 HG2 LYS 31 2HG LYS 31 -4.026 3.647 6.641 255 HG3 LYS 31 1HG LYS 31 -4.797 2.069 6.792 256 HD2 LYS 31 2HD LYS 31 -5.279 2.366 8.985 257 HD3 LYS 31 1HD LYS 31 -3.799 3.275 9.296 258 HE2 LYS 31 2HE LYS 31 -6.271 4.312 7.916 259 HE3 LYS 31 1HE LYS 31 -5.763 4.692 9.561 260 HZ1 LYS 31 3HZ LYS 31 -3.598 5.436 8.308 261 HZ2 LYS 31 1HZ LYS 31 -4.925 6.476 8.454 262 HZ3 LYS 31 2HZ LYS 31 -4.670 5.628 7.014 263 H LEU 32 H LEU 32 0.499 2.568 7.481 264 HA LEU 32 HA LEU 32 0.423 5.228 8.500 265 HB2 LEU 32 2HB LEU 32 2.597 3.147 8.377 266 HB3 LEU 32 1HB LEU 32 2.810 4.718 9.135 267 HG LEU 32 HG LEU 32 1.735 2.323 10.249 268 HD11 LEU 32 1HD1 LEU 32 2.197 5.107 11.277 269 HD12 LEU 32 2HD1 LEU 32 3.256 3.703 11.429 270 HD13 LEU 32 3HD1 LEU 32 1.725 3.752 12.307 271 HD21 LEU 32 3HD2 LEU 32 -0.211 4.630 10.236 272 HD22 LEU 32 1HD2 LEU 32 -0.318 3.211 11.276 273 HD23 LEU 32 2HD2 LEU 32 -0.470 3.035 9.531 274 H ILE 33 H ILE 33 2.034 3.670 5.758 275 HA ILE 33 HA ILE 33 3.521 6.037 5.074 276 HB ILE 33 HB ILE 33 4.395 3.798 4.542 277 HG12 ILE 33 2HG1 ILE 33 4.425 4.452 1.849 278 HG13 ILE 33 1HG1 ILE 33 4.098 5.993 2.634 279 HG21 ILE 33 1HG2 ILE 33 3.411 2.587 2.587 280 HG22 ILE 33 2HG2 ILE 33 2.019 3.666 2.700 281 HG23 ILE 33 3HG2 ILE 33 2.413 2.589 4.040 282 HD11 ILE 33 3HD1 ILE 33 6.488 5.604 2.263 283 HD12 ILE 33 1HD1 ILE 33 6.401 4.172 3.290 284 HD13 ILE 33 2HD1 ILE 33 6.093 5.768 3.974 285 H ALA 34 H ALA 34 0.509 4.534 4.099 286 HA ALA 34 HA ALA 34 0.066 6.077 1.770 287 HB1 ALA 34 1HB ALA 34 -1.870 4.933 1.591 288 HB2 ALA 34 2HB ALA 34 -2.305 5.193 3.280 289 HB3 ALA 34 3HB ALA 34 -1.154 3.927 2.852 290 H ASN 35 H ASN 35 -1.621 6.316 4.906 291 HA ASN 35 HA ASN 35 -2.805 8.788 4.451 292 HB2 ASN 35 2HB ASN 35 -2.354 7.040 6.743 293 HB3 ASN 35 1HB ASN 35 -2.364 8.744 7.188 294 HD21 ASN 35 1HD2 ASN 35 -4.178 7.311 4.535 295 HD22 ASN 35 2HD2 ASN 35 -5.742 7.601 5.211 296 H ALA 36 H ALA 36 0.426 8.027 5.599 297 HA ALA 36 HA ALA 36 1.035 10.712 6.400 298 HB1 ALA 36 1HB ALA 36 2.127 8.758 7.417 299 HB2 ALA 36 2HB ALA 36 3.290 9.900 6.744 300 HB3 ALA 36 3HB ALA 36 2.911 8.410 5.876 301 H LYS 37 H LYS 37 1.137 8.956 3.422 302 HA LYS 37 HA LYS 37 2.896 10.946 2.195 303 HB2 LYS 37 2HB LYS 37 1.853 8.279 1.255 304 HB3 LYS 37 1HB LYS 37 2.700 9.392 0.187 305 HG2 LYS 37 2HG LYS 37 3.933 8.530 2.771 306 HG3 LYS 37 1HG LYS 37 4.020 7.503 1.337 307 HD2 LYS 37 2HD LYS 37 4.943 10.372 1.466 308 HD3 LYS 37 1HD LYS 37 5.999 8.966 1.602 309 HE2 LYS 37 2HE LYS 37 4.406 9.887 -0.771 310 HE3 LYS 37 1HE LYS 37 6.149 9.648 -0.643 311 HZ1 LYS 37 3HZ LYS 37 5.199 7.852 -1.875 312 HZ2 LYS 37 1HZ LYS 37 4.068 7.536 -0.657 313 HZ3 LYS 37 2HZ LYS 37 5.711 7.253 -0.378 314 H THR 38 H THR 38 -0.413 9.815 2.173 315 HA THR 38 HA THR 38 -1.391 12.210 1.066 316 HB THR 38 HB THR 38 -0.663 11.576 -1.062 317 HG1 THR 38 1HG THR 38 -3.260 10.453 -0.959 318 HG21 THR 38 3HG2 THR 38 -0.808 8.936 -0.059 319 HG22 THR 38 1HG2 THR 38 -0.066 9.515 -1.548 320 HG23 THR 38 2HG2 THR 38 -1.759 9.024 -1.543 321 H VAL 39 H VAL 39 -3.771 12.078 0.607 322 HA VAL 39 HA VAL 39 -5.074 9.832 1.950 323 HB VAL 39 HB VAL 39 -6.580 11.411 3.151 324 HG11 VAL 39 1HG1 VAL 39 -3.707 11.046 3.720 325 HG12 VAL 39 2HG1 VAL 39 -5.121 10.611 4.681 326 HG13 VAL 39 3HG1 VAL 39 -4.541 12.277 4.671 327 HG21 VAL 39 3HG2 VAL 39 -5.256 13.731 3.448 328 HG22 VAL 39 1HG2 VAL 39 -6.544 13.483 2.270 329 HG23 VAL 39 2HG2 VAL 39 -4.855 13.366 1.770 330 H GLU 40 H GLU 40 -5.299 9.608 -0.533 331 HA GLU 40 HA GLU 40 -7.996 10.113 -1.201 332 HB2 GLU 40 2HB GLU 40 -6.065 12.135 -1.971 333 HB3 GLU 40 1HB GLU 40 -6.888 11.451 -3.373 334 HG2 GLU 40 2HG GLU 40 -8.992 11.859 -1.748 335 HG3 GLU 40 1HG GLU 40 -7.921 13.157 -1.203 336 H GLY 41 H GLY 41 -8.370 8.164 -2.050 337 HA2 GLY 41 2HA GLY 41 -7.520 7.398 -4.577 338 HA3 GLY 41 1HA GLY 41 -6.401 6.649 -3.441 339 H VAL 42 H VAL 42 -7.711 4.932 -4.927 340 HA VAL 42 HA VAL 42 -10.016 4.014 -3.353 341 HB VAL 42 HB VAL 42 -10.551 2.541 -5.262 342 HG11 VAL 42 1HG1 VAL 42 -10.892 4.607 -6.916 343 HG12 VAL 42 2HG1 VAL 42 -10.478 5.490 -5.446 344 HG13 VAL 42 3HG1 VAL 42 -11.851 4.384 -5.452 345 HG21 VAL 42 3HG2 VAL 42 -9.408 3.097 -7.456 346 HG22 VAL 42 1HG2 VAL 42 -8.470 2.152 -6.302 347 HG23 VAL 42 2HG2 VAL 42 -8.155 3.875 -6.494 348 H TRP 43 H TRP 43 -9.482 2.654 -1.850 349 HA TRP 43 HA TRP 43 -7.109 1.138 -1.792 350 HB2 TRP 43 2HB TRP 43 -9.505 1.589 -0.130 351 HB3 TRP 43 1HB TRP 43 -8.701 0.059 0.122 352 HD1 TRP 43 HD TRP 43 -8.008 3.848 0.289 353 HE1 TRP 43 1HE TRP 43 -6.102 4.278 1.946 354 HE3 TRP 43 3HE TRP 43 -6.710 -1.010 1.336 355 HZ2 TRP 43 2HZ TRP 43 -4.292 2.804 3.487 356 HZ3 TRP 43 3HZ TRP 43 -4.811 -1.392 2.971 357 HH2 TRP 43 HH TRP 43 -3.667 0.489 3.986 358 H THR 44 H THR 44 -6.712 -0.832 -2.569 359 HA THR 44 HA THR 44 -8.851 -2.766 -2.927 360 HB THR 44 HB THR 44 -7.679 -3.167 -5.306 361 HG1 THR 44 1HG THR 44 -7.618 -0.350 -5.002 362 HG21 THR 44 3HG2 THR 44 -9.439 -1.509 -6.260 363 HG22 THR 44 1HG2 THR 44 -9.978 -1.420 -4.583 364 HG23 THR 44 2HG2 THR 44 -9.958 -2.972 -5.421 365 H TYR 45 H TYR 45 -8.044 -4.943 -3.223 366 HA TYR 45 HA TYR 45 -5.166 -5.286 -2.881 367 HB2 TYR 45 2HB TYR 45 -5.658 -5.320 -0.613 368 HB3 TYR 45 1HB TYR 45 -7.233 -6.080 -0.850 369 HD1 TYR 45 2HD TYR 45 -7.295 -8.535 -1.469 370 HD2 TYR 45 1HD TYR 45 -3.751 -6.602 -0.123 371 HE1 TYR 45 2HE TYR 45 -6.320 -10.722 -0.916 372 HE2 TYR 45 1HE TYR 45 -2.767 -8.786 0.434 373 HH TYR 45 HH TYR 45 -4.374 -11.470 0.875 374 H LYS 46 H LYS 46 -4.344 -7.161 -3.668 375 HA LYS 46 HA LYS 46 -6.257 -9.029 -4.908 376 HB2 LYS 46 2HB LYS 46 -3.507 -8.433 -5.997 377 HB3 LYS 46 1HB LYS 46 -4.827 -9.291 -6.791 378 HG2 LYS 46 2HG LYS 46 -5.578 -6.594 -6.037 379 HG3 LYS 46 1HG LYS 46 -4.168 -6.627 -7.098 380 HD2 LYS 46 2HD LYS 46 -6.610 -8.250 -7.726 381 HD3 LYS 46 1HD LYS 46 -6.523 -6.541 -8.158 382 HE2 LYS 46 2HE LYS 46 -5.166 -6.947 -9.879 383 HE3 LYS 46 1HE LYS 46 -4.125 -7.989 -8.912 384 HZ1 LYS 46 3HZ LYS 46 -5.619 -8.864 -10.922 385 HZ2 LYS 46 1HZ LYS 46 -6.706 -9.103 -9.654 386 HZ3 LYS 46 2HZ LYS 46 -5.182 -9.834 -9.608 387 H ASP 47 H ASP 47 -6.112 -11.046 -4.298 388 HA ASP 47 HA ASP 47 -4.180 -11.861 -2.366 389 HB2 ASP 47 2HB ASP 47 -5.342 -14.085 -2.604 390 HB3 ASP 47 1HB ASP 47 -6.388 -12.740 -2.160 391 H GLU 48 H GLU 48 -4.164 -11.799 -5.748 392 HA GLU 48 HA GLU 48 -2.902 -14.104 -6.555 393 HB2 GLU 48 2HB GLU 48 -2.178 -11.325 -7.529 394 HB3 GLU 48 1HB GLU 48 -1.849 -12.828 -8.352 395 HG2 GLU 48 2HG GLU 48 -4.173 -11.187 -8.481 396 HG3 GLU 48 1HG GLU 48 -3.758 -12.606 -9.432 397 H ILE 49 H ILE 49 -1.518 -11.423 -4.771 398 HA ILE 49 HA ILE 49 0.713 -13.052 -3.974 399 HB ILE 49 HB ILE 49 2.409 -11.309 -4.704 400 HG12 ILE 49 2HG1 ILE 49 0.924 -10.561 -7.071 401 HG13 ILE 49 1HG1 ILE 49 0.098 -10.006 -5.621 402 HG21 ILE 49 1HG2 ILE 49 1.176 -12.716 -7.043 403 HG22 ILE 49 2HG2 ILE 49 1.940 -13.610 -5.724 404 HG23 ILE 49 3HG2 ILE 49 2.882 -12.457 -6.673 405 HD11 ILE 49 3HD1 ILE 49 2.273 -8.823 -6.920 406 HD12 ILE 49 1HD1 ILE 49 2.892 -9.456 -5.400 407 HD13 ILE 49 2HD1 ILE 49 1.528 -8.339 -5.404 408 H LYS 50 H LYS 50 -1.528 -11.499 -2.805 409 HA LYS 50 HA LYS 50 -1.967 -10.089 -1.069 410 HB2 LYS 50 2HB LYS 50 0.834 -10.972 -0.368 411 HB3 LYS 50 1HB LYS 50 -0.195 -10.050 0.720 412 HG2 LYS 50 2HG LYS 50 -0.594 -12.172 1.456 413 HG3 LYS 50 1HG LYS 50 -1.887 -11.998 0.268 414 HD2 LYS 50 2HD LYS 50 -0.216 -13.017 -1.396 415 HD3 LYS 50 1HD LYS 50 0.696 -13.507 0.030 416 HE2 LYS 50 2HE LYS 50 -2.139 -14.143 0.224 417 HE3 LYS 50 1HE LYS 50 -1.360 -14.915 -1.154 418 HZ1 LYS 50 3HZ LYS 50 -0.855 -16.447 0.400 419 HZ2 LYS 50 1HZ LYS 50 -0.959 -15.359 1.691 420 HZ3 LYS 50 2HZ LYS 50 0.432 -15.404 0.732 421 H THR 51 H THR 51 -2.170 -8.155 -2.234 422 HA THR 51 HA THR 51 -0.225 -6.159 -1.542 423 HB THR 51 HB THR 51 0.841 -7.037 -3.544 424 HG1 THR 51 1HG THR 51 -0.460 -4.575 -4.075 425 HG21 THR 51 3HG2 THR 51 -1.381 -7.854 -4.550 426 HG22 THR 51 1HG2 THR 51 -0.125 -7.250 -5.629 427 HG23 THR 51 2HG2 THR 51 -1.497 -6.223 -5.211 428 H PHE 52 H PHE 52 -1.111 -4.190 -1.368 429 HA PHE 52 HA PHE 52 -3.903 -3.907 -2.232 430 HB2 PHE 52 2HB PHE 52 -2.628 -2.109 -0.201 431 HB3 PHE 52 1HB PHE 52 -4.322 -2.543 -0.388 432 HD1 PHE 52 1HD PHE 52 -1.022 -3.973 0.559 433 HD2 PHE 52 2HD PHE 52 -5.253 -4.179 0.959 434 HE1 PHE 52 1HE PHE 52 -0.769 -5.684 2.308 435 HE2 PHE 52 2HE PHE 52 -5.009 -5.891 2.710 436 HZ PHE 52 HZ PHE 52 -2.764 -6.645 3.386 437 H THR 53 H THR 53 -4.582 -1.680 -2.860 438 HA THR 53 HA THR 53 -2.427 0.015 -3.825 439 HB THR 53 HB THR 53 -4.511 -1.208 -5.648 440 HG1 THR 53 1HG THR 53 -1.810 -1.617 -5.221 441 HG21 THR 53 3HG2 THR 53 -3.759 0.083 -7.455 442 HG22 THR 53 1HG2 THR 53 -2.407 0.746 -6.537 443 HG23 THR 53 2HG2 THR 53 -4.060 1.230 -6.152 444 H VAL 54 H VAL 54 -3.059 2.149 -4.322 445 HA VAL 54 HA VAL 54 -5.820 2.885 -3.658 446 HB VAL 54 HB VAL 54 -3.956 3.186 -1.750 447 HG11 VAL 54 1HG1 VAL 54 -2.576 4.707 -3.158 448 HG12 VAL 54 2HG1 VAL 54 -3.088 5.411 -1.625 449 HG13 VAL 54 3HG1 VAL 54 -3.904 5.868 -3.121 450 HG21 VAL 54 3HG2 VAL 54 -5.397 5.055 -0.872 451 HG22 VAL 54 1HG2 VAL 54 -6.245 3.580 -1.339 452 HG23 VAL 54 2HG2 VAL 54 -6.270 4.985 -2.402 453 H THR 55 H THR 55 -6.474 3.617 -5.582 454 HA THR 55 HA THR 55 -4.712 5.456 -7.057 455 HB THR 55 HB THR 55 -7.137 4.060 -8.175 456 HG1 THR 55 1HG THR 55 -5.641 2.508 -7.390 457 HG21 THR 55 3HG2 THR 55 -6.581 4.911 -10.140 458 HG22 THR 55 1HG2 THR 55 -4.888 4.466 -9.938 459 HG23 THR 55 2HG2 THR 55 -5.487 5.984 -9.268 460 H GLU 56 H GLU 56 -5.263 7.522 -7.343 461 HA GLU 56 HA GLU 56 -7.800 8.440 -6.231 462 HB2 GLU 56 2HB GLU 56 -5.793 9.592 -5.492 463 HB3 GLU 56 1HB GLU 56 -5.365 9.958 -7.156 464 HG2 GLU 56 2HG GLU 56 -7.902 11.006 -6.911 465 HG3 GLU 56 1HG GLU 56 -7.163 11.335 -5.344 Start of MODEL 16 1 H1 THR 1 1HT THR 1 4.402 -14.923 4.647 2 H2 THR 1 2HT THR 1 4.431 -13.319 5.261 3 H3 THR 1 3HT THR 1 5.790 -13.942 4.416 4 HA THR 1 HA THR 1 4.523 -14.099 2.423 5 HB THR 1 HB THR 1 2.242 -12.796 2.611 6 HG1 THR 1 1HG THR 1 1.261 -13.121 4.621 7 HG21 THR 1 1HG2 THR 1 2.619 -15.636 3.540 8 HG22 THR 1 2HG2 THR 1 2.218 -15.064 1.916 9 HG23 THR 1 3HG2 THR 1 1.045 -14.898 3.223 10 H THR 2 H THR 2 4.781 -12.426 0.985 11 HA THR 2 HA THR 2 5.700 -9.891 2.142 12 HB THR 2 HB THR 2 7.382 -10.817 0.770 13 HG1 THR 2 1HG THR 2 6.911 -8.607 0.308 14 HG21 THR 2 3HG2 THR 2 5.162 -11.739 -0.883 15 HG22 THR 2 1HG2 THR 2 6.768 -12.433 -0.641 16 HG23 THR 2 2HG2 THR 2 6.535 -11.117 -1.794 17 H TYR 3 H TYR 3 4.326 -8.256 2.130 18 HA TYR 3 HA TYR 3 2.177 -8.216 0.131 19 HB2 TYR 3 2HB TYR 3 2.469 -6.812 2.793 20 HB3 TYR 3 1HB TYR 3 1.143 -6.510 1.666 21 HD1 TYR 3 1HD TYR 3 2.752 -9.164 3.709 22 HD2 TYR 3 2HD TYR 3 -0.748 -7.905 1.645 23 HE1 TYR 3 1HE TYR 3 1.508 -11.042 4.681 24 HE2 TYR 3 2HE TYR 3 -1.995 -9.785 2.612 25 HH TYR 3 HH TYR 3 -1.924 -11.311 4.414 26 H LYS 4 H LYS 4 1.714 -6.339 -1.061 27 HA LYS 4 HA LYS 4 3.766 -4.232 -1.018 28 HB2 LYS 4 2HB LYS 4 2.752 -5.673 -3.475 29 HB3 LYS 4 1HB LYS 4 3.753 -4.225 -3.510 30 HG2 LYS 4 2HG LYS 4 5.585 -5.452 -3.351 31 HG3 LYS 4 1HG LYS 4 5.007 -6.173 -1.848 32 HD2 LYS 4 2HD LYS 4 3.514 -7.513 -3.678 33 HD3 LYS 4 1HD LYS 4 5.003 -7.242 -4.588 34 HE2 LYS 4 2HE LYS 4 6.289 -8.467 -3.098 35 HE3 LYS 4 1HE LYS 4 5.123 -8.282 -1.787 36 HZ1 LYS 4 3HZ LYS 4 5.220 -10.248 -3.912 37 HZ2 LYS 4 1HZ LYS 4 3.679 -9.637 -3.573 38 HZ3 LYS 4 2HZ LYS 4 4.587 -10.372 -2.350 39 H LEU 5 H LEU 5 3.111 -2.203 -1.728 40 HA LEU 5 HA LEU 5 0.229 -1.873 -2.167 41 HB2 LEU 5 2HB LEU 5 0.364 -1.238 0.043 42 HB3 LEU 5 1HB LEU 5 1.996 -0.598 -0.135 43 HG LEU 5 HG LEU 5 1.133 1.385 -1.250 44 HD11 LEU 5 1HD1 LEU 5 -0.936 -0.129 -2.070 45 HD12 LEU 5 2HD1 LEU 5 -0.950 1.634 -2.068 46 HD13 LEU 5 3HD1 LEU 5 -1.695 0.744 -0.740 47 HD21 LEU 5 3HD2 LEU 5 -0.620 1.997 0.688 48 HD22 LEU 5 1HD2 LEU 5 1.128 1.965 0.934 49 HD23 LEU 5 2HD2 LEU 5 0.145 0.580 1.412 50 H ILE 6 H ILE 6 -0.270 -0.659 -3.876 51 HA ILE 6 HA ILE 6 1.854 0.995 -5.065 52 HB ILE 6 HB ILE 6 -0.522 -0.251 -6.454 53 HG12 ILE 6 2HG1 ILE 6 1.290 -1.595 -7.608 54 HG13 ILE 6 1HG1 ILE 6 2.404 -0.997 -6.383 55 HG21 ILE 6 1HG2 ILE 6 0.140 0.729 -8.418 56 HG22 ILE 6 2HG2 ILE 6 1.815 0.901 -7.895 57 HG23 ILE 6 3HG2 ILE 6 0.580 1.994 -7.271 58 HD11 ILE 6 3HD1 ILE 6 1.461 -2.251 -4.721 59 HD12 ILE 6 1HD1 ILE 6 1.243 -3.311 -6.113 60 HD13 ILE 6 2HD1 ILE 6 -0.106 -2.339 -5.523 61 H LEU 7 H LEU 7 1.563 3.125 -5.068 62 HA LEU 7 HA LEU 7 -1.148 4.160 -4.572 63 HB2 LEU 7 2HB LEU 7 1.420 5.650 -4.072 64 HB3 LEU 7 1HB LEU 7 -0.190 6.026 -3.465 65 HG LEU 7 HG LEU 7 1.017 3.427 -2.659 66 HD11 LEU 7 1HD1 LEU 7 2.583 4.250 -1.254 67 HD12 LEU 7 2HD1 LEU 7 1.701 5.751 -0.972 68 HD13 LEU 7 3HD1 LEU 7 2.640 5.545 -2.451 69 HD21 LEU 7 3HD2 LEU 7 -1.003 5.353 -1.694 70 HD22 LEU 7 1HD2 LEU 7 -0.070 4.504 -0.463 71 HD23 LEU 7 2HD2 LEU 7 -1.000 3.591 -1.648 72 H ASN 8 H ASN 8 -2.075 5.470 -6.013 73 HA ASN 8 HA ASN 8 -0.392 6.629 -8.135 74 HB2 ASN 8 2HB ASN 8 -3.159 5.444 -8.531 75 HB3 ASN 8 1HB ASN 8 -2.180 6.232 -9.759 76 HD21 ASN 8 1HD2 ASN 8 -1.664 3.642 -7.333 77 HD22 ASN 8 2HD2 ASN 8 -0.918 2.566 -8.451 78 H LEU 9 H LEU 9 -0.405 8.749 -7.816 79 HA LEU 9 HA LEU 9 -2.938 10.037 -7.038 80 HB2 LEU 9 2HB LEU 9 -0.246 11.324 -6.706 81 HB3 LEU 9 1HB LEU 9 -1.754 11.680 -5.870 82 HG LEU 9 HG LEU 9 -0.716 8.964 -5.392 83 HD11 LEU 9 1HD1 LEU 9 0.899 11.394 -4.814 84 HD12 LEU 9 2HD1 LEU 9 1.419 9.760 -5.228 85 HD13 LEU 9 3HD1 LEU 9 0.835 10.112 -3.600 86 HD21 LEU 9 3HD2 LEU 9 -2.668 10.306 -4.300 87 HD22 LEU 9 1HD2 LEU 9 -1.378 11.007 -3.323 88 HD23 LEU 9 2HD2 LEU 9 -1.644 9.270 -3.311 89 H LYS 10 H LYS 10 -2.790 12.509 -7.692 90 HA LYS 10 HA LYS 10 -2.540 12.499 -10.593 91 HB2 LYS 10 2HB LYS 10 -4.554 13.410 -9.299 92 HB3 LYS 10 1HB LYS 10 -3.532 14.777 -8.897 93 HG2 LYS 10 2HG LYS 10 -3.439 15.514 -11.097 94 HG3 LYS 10 1HG LYS 10 -3.920 13.947 -11.744 95 HD2 LYS 10 2HD LYS 10 -6.082 14.534 -10.235 96 HD3 LYS 10 1HD LYS 10 -5.570 16.160 -10.706 97 HE2 LYS 10 2HE LYS 10 -5.752 15.642 -13.006 98 HE3 LYS 10 1HE LYS 10 -5.910 13.920 -12.682 99 HZ1 LYS 10 3HZ LYS 10 -8.052 14.771 -13.195 100 HZ2 LYS 10 1HZ LYS 10 -7.890 16.048 -12.097 101 HZ3 LYS 10 2HZ LYS 10 -8.031 14.453 -11.529 102 H GLN 11 H GLN 11 -0.065 12.329 -9.659 103 HA GLN 11 HA GLN 11 1.244 14.563 -10.731 104 HB2 GLN 11 2HB GLN 11 0.586 14.755 -7.906 105 HB3 GLN 11 1HB GLN 11 2.332 14.841 -8.172 106 HG2 GLN 11 2HG GLN 11 1.037 16.497 -10.111 107 HG3 GLN 11 1HG GLN 11 0.346 16.867 -8.527 108 HE21 GLN 11 1HE2 GLN 11 2.889 17.416 -10.629 109 HE22 GLN 11 2HE2 GLN 11 3.966 18.212 -9.536 110 H ALA 12 H ALA 12 1.465 11.896 -8.418 111 HA ALA 12 HA ALA 12 3.666 10.753 -9.870 112 HB1 ALA 12 1HB ALA 12 4.689 12.505 -8.336 113 HB2 ALA 12 2HB ALA 12 5.352 10.880 -8.238 114 HB3 ALA 12 3HB ALA 12 4.231 11.455 -7.004 115 H LYS 13 H LYS 13 4.540 8.781 -8.477 116 HA LYS 13 HA LYS 13 2.343 7.549 -6.993 117 HB2 LYS 13 2HB LYS 13 2.598 5.456 -8.261 118 HB3 LYS 13 1HB LYS 13 2.074 6.781 -9.289 119 HG2 LYS 13 2HG LYS 13 4.881 6.767 -9.380 120 HG3 LYS 13 1HG LYS 13 4.369 5.093 -9.536 121 HD2 LYS 13 2HD LYS 13 4.327 5.783 -11.733 122 HD3 LYS 13 1HD LYS 13 2.655 6.072 -11.247 123 HE2 LYS 13 2HE LYS 13 3.793 8.423 -10.560 124 HE3 LYS 13 1HE LYS 13 4.780 7.974 -11.950 125 HZ1 LYS 13 3HZ LYS 13 2.979 8.042 -13.353 126 HZ2 LYS 13 1HZ LYS 13 2.624 9.317 -12.309 127 HZ3 LYS 13 2HZ LYS 13 1.845 7.834 -12.126 128 H GLU 14 H GLU 14 2.984 5.790 -5.644 129 HA GLU 14 HA GLU 14 5.851 5.353 -5.310 130 HB2 GLU 14 2HB GLU 14 4.313 7.050 -3.603 131 HB3 GLU 14 1HB GLU 14 4.759 5.607 -2.691 132 HG2 GLU 14 2HG GLU 14 6.653 7.434 -4.157 133 HG3 GLU 14 1HG GLU 14 6.400 7.377 -2.413 134 H GLU 15 H GLU 15 6.374 3.349 -4.509 135 HA GLU 15 HA GLU 15 4.101 1.556 -3.957 136 HB2 GLU 15 2HB GLU 15 6.707 1.013 -5.375 137 HB3 GLU 15 1HB GLU 15 5.646 -0.269 -4.804 138 HG2 GLU 15 2HG GLU 15 3.833 0.687 -6.206 139 HG3 GLU 15 1HG GLU 15 5.001 1.840 -6.850 140 H ALA 16 H ALA 16 4.049 0.616 -2.041 141 HA ALA 16 HA ALA 16 6.493 0.629 -0.397 142 HB1 ALA 16 1HB ALA 16 4.939 0.475 1.544 143 HB2 ALA 16 2HB ALA 16 3.590 0.651 0.423 144 HB3 ALA 16 3HB ALA 16 4.761 1.957 0.606 145 H ILE 17 H ILE 17 7.181 -1.266 0.564 146 HA ILE 17 HA ILE 17 5.534 -3.643 0.388 147 HB ILE 17 HB ILE 17 7.029 -4.983 -0.904 148 HG12 ILE 17 2HG1 ILE 17 8.826 -2.643 -1.483 149 HG13 ILE 17 1HG1 ILE 17 9.106 -3.642 -0.059 150 HG21 ILE 17 1HG2 ILE 17 5.408 -3.599 -2.131 151 HG22 ILE 17 2HG2 ILE 17 6.854 -3.940 -3.080 152 HG23 ILE 17 3HG2 ILE 17 6.642 -2.356 -2.335 153 HD11 ILE 17 3HD1 ILE 17 8.743 -5.319 -2.339 154 HD12 ILE 17 1HD1 ILE 17 10.142 -5.149 -1.288 155 HD13 ILE 17 2HD1 ILE 17 9.962 -4.093 -2.688 156 H LYS 18 H LYS 18 6.203 -5.354 1.669 157 HA LYS 18 HA LYS 18 8.644 -5.357 3.122 158 HB2 LYS 18 2HB LYS 18 7.819 -3.597 4.426 159 HB3 LYS 18 1HB LYS 18 6.174 -4.226 4.405 160 HG2 LYS 18 2HG LYS 18 8.300 -5.830 5.746 161 HG3 LYS 18 1HG LYS 18 7.708 -4.378 6.549 162 HD2 LYS 18 2HD LYS 18 6.060 -6.753 5.671 163 HD3 LYS 18 1HD LYS 18 6.473 -6.309 7.325 164 HE2 LYS 18 2HE LYS 18 4.663 -4.852 5.413 165 HE3 LYS 18 1HE LYS 18 4.247 -5.587 6.960 166 HZ1 LYS 18 3HZ LYS 18 5.367 -2.994 6.403 167 HZ2 LYS 18 1HZ LYS 18 6.168 -3.820 7.644 168 HZ3 LYS 18 2HZ LYS 18 4.505 -3.533 7.755 169 H GLU 19 H GLU 19 8.846 -7.218 4.468 170 HA GLU 19 HA GLU 19 6.845 -9.281 3.881 171 HB2 GLU 19 2HB GLU 19 9.166 -9.670 3.078 172 HB3 GLU 19 1HB GLU 19 9.707 -9.645 4.751 173 HG2 GLU 19 2HG GLU 19 8.712 -11.668 5.239 174 HG3 GLU 19 1HG GLU 19 7.567 -11.536 3.909 175 H ALA 20 H ALA 20 5.479 -9.674 5.485 176 HA ALA 20 HA ALA 20 6.460 -9.448 8.255 177 HB1 ALA 20 1HB ALA 20 4.761 -8.050 8.545 178 HB2 ALA 20 2HB ALA 20 3.684 -9.433 8.368 179 HB3 ALA 20 3HB ALA 20 4.079 -8.443 6.966 180 H VAL 21 H VAL 21 5.227 -10.872 9.818 181 HA VAL 21 HA VAL 21 5.185 -13.579 8.728 182 HB VAL 21 HB VAL 21 5.114 -14.302 11.105 183 HG11 VAL 21 1HG1 VAL 21 7.253 -14.215 10.113 184 HG12 VAL 21 2HG1 VAL 21 7.417 -13.409 11.675 185 HG13 VAL 21 3HG1 VAL 21 7.307 -12.452 10.199 186 HG21 VAL 21 3HG2 VAL 21 4.426 -11.557 11.512 187 HG22 VAL 21 1HG2 VAL 21 5.912 -11.916 12.393 188 HG23 VAL 21 2HG2 VAL 21 4.463 -12.876 12.681 189 H ASP 22 H ASP 22 2.926 -11.537 8.451 190 HA ASP 22 HA ASP 22 0.796 -13.373 8.716 191 HB2 ASP 22 2HB ASP 22 1.247 -11.474 10.934 192 HB3 ASP 22 1HB ASP 22 -0.409 -11.592 10.350 193 H ALA 23 H ALA 23 0.410 -9.923 9.352 194 HA ALA 23 HA ALA 23 0.274 -8.907 6.803 195 HB1 ALA 23 1HB ALA 23 -2.255 -10.274 7.608 196 HB2 ALA 23 2HB ALA 23 -1.395 -10.342 6.073 197 HB3 ALA 23 3HB ALA 23 -2.275 -8.893 6.525 198 H GLY 24 H GLY 24 -1.344 -8.999 9.936 199 HA2 GLY 24 2HA GLY 24 -2.513 -6.513 10.044 200 HA3 GLY 24 1HA GLY 24 -1.777 -7.301 11.432 201 H THR 25 H THR 25 0.875 -7.291 10.148 202 HA THR 25 HA THR 25 1.681 -4.667 11.025 203 HB THR 25 HB THR 25 3.609 -6.511 9.707 204 HG1 THR 25 1HG THR 25 2.407 -7.040 12.219 205 HG21 THR 25 3HG2 THR 25 5.045 -5.227 10.780 206 HG22 THR 25 1HG2 THR 25 4.390 -5.803 12.312 207 HG23 THR 25 2HG2 THR 25 3.728 -4.352 11.559 208 H ALA 26 H ALA 26 1.127 -6.311 8.012 209 HA ALA 26 HA ALA 26 2.579 -4.445 6.389 210 HB1 ALA 26 1HB ALA 26 0.851 -6.796 5.925 211 HB2 ALA 26 2HB ALA 26 2.400 -6.364 5.201 212 HB3 ALA 26 3HB ALA 26 0.914 -5.603 4.629 213 H GLU 27 H GLU 27 -0.771 -4.879 7.369 214 HA GLU 27 HA GLU 27 -1.844 -2.816 5.732 215 HB2 GLU 27 2HB GLU 27 -3.255 -4.593 6.659 216 HB3 GLU 27 1HB GLU 27 -2.917 -4.027 8.290 217 HG2 GLU 27 2HG GLU 27 -4.343 -2.277 8.129 218 HG3 GLU 27 1HG GLU 27 -4.059 -2.060 6.402 219 H LYS 28 H LYS 28 -1.317 -2.914 9.267 220 HA LYS 28 HA LYS 28 -1.792 -0.225 9.777 221 HB2 LYS 28 2HB LYS 28 -0.282 -2.386 11.157 222 HB3 LYS 28 1HB LYS 28 0.007 -0.735 11.689 223 HG2 LYS 28 2HG LYS 28 -2.811 -1.617 11.400 224 HG3 LYS 28 1HG LYS 28 -1.878 -2.261 12.753 225 HD2 LYS 28 2HD LYS 28 -1.298 0.062 13.395 226 HD3 LYS 28 1HD LYS 28 -2.353 0.647 12.106 227 HE2 LYS 28 2HE LYS 28 -4.236 0.200 13.263 228 HE3 LYS 28 1HE LYS 28 -3.577 -1.290 13.941 229 HZ1 LYS 28 3HZ LYS 28 -3.132 -0.237 15.822 230 HZ2 LYS 28 1HZ LYS 28 -3.887 1.150 15.215 231 HZ3 LYS 28 2HZ LYS 28 -2.217 0.940 15.016 232 H TYR 29 H TYR 29 1.177 -1.819 8.731 233 HA TYR 29 HA TYR 29 2.803 0.525 8.991 234 HB2 TYR 29 2HB TYR 29 3.839 -1.697 9.038 235 HB3 TYR 29 1HB TYR 29 3.271 -2.012 7.395 236 HD1 TYR 29 2HD TYR 29 4.126 -0.369 5.564 237 HD2 TYR 29 1HD TYR 29 5.949 -0.813 9.379 238 HE1 TYR 29 2HE TYR 29 6.209 0.583 4.671 239 HE2 TYR 29 1HE TYR 29 8.039 0.138 8.499 240 HH TYR 29 HH TYR 29 8.741 1.630 6.632 241 H PHE 30 H PHE 30 1.124 -1.075 6.312 242 HA PHE 30 HA PHE 30 1.996 0.665 4.274 243 HB2 PHE 30 2HB PHE 30 -0.314 -1.225 4.583 244 HB3 PHE 30 1HB PHE 30 -0.308 -0.095 3.228 245 HD1 PHE 30 2HD PHE 30 3.007 -0.997 4.112 246 HD2 PHE 30 1HD PHE 30 -0.435 -2.372 2.019 247 HE1 PHE 30 2HE PHE 30 4.415 -2.553 2.827 248 HE2 PHE 30 1HE PHE 30 0.969 -3.933 0.732 249 HZ PHE 30 HZ PHE 30 3.396 -4.021 1.134 250 H LYS 31 H LYS 31 -0.772 0.711 6.456 251 HA LYS 31 HA LYS 31 -2.101 2.926 5.397 252 HB2 LYS 31 2HB LYS 31 -2.763 1.210 7.273 253 HB3 LYS 31 1HB LYS 31 -2.060 2.414 8.346 254 HG2 LYS 31 2HG LYS 31 -3.744 3.861 6.667 255 HG3 LYS 31 1HG LYS 31 -4.628 2.378 7.024 256 HD2 LYS 31 2HD LYS 31 -3.864 2.880 9.480 257 HD3 LYS 31 1HD LYS 31 -3.696 4.526 8.874 258 HE2 LYS 31 2HE LYS 31 -5.874 4.409 9.740 259 HE3 LYS 31 1HE LYS 31 -6.056 4.302 7.990 260 HZ1 LYS 31 3HZ LYS 31 -6.566 2.059 8.099 261 HZ2 LYS 31 1HZ LYS 31 -7.355 2.676 9.460 262 HZ3 LYS 31 2HZ LYS 31 -5.883 1.860 9.636 263 H LEU 32 H LEU 32 0.653 2.731 7.578 264 HA LEU 32 HA LEU 32 0.598 5.458 8.377 265 HB2 LEU 32 2HB LEU 32 2.773 3.372 8.432 266 HB3 LEU 32 1HB LEU 32 2.963 4.988 9.096 267 HG LEU 32 HG LEU 32 1.899 2.664 10.344 268 HD11 LEU 32 1HD1 LEU 32 3.348 4.149 11.475 269 HD12 LEU 32 2HD1 LEU 32 1.787 4.243 12.294 270 HD13 LEU 32 3HD1 LEU 32 2.279 5.522 11.182 271 HD21 LEU 32 3HD2 LEU 32 -0.192 3.603 11.263 272 HD22 LEU 32 1HD2 LEU 32 -0.303 3.239 9.544 273 HD23 LEU 32 2HD2 LEU 32 -0.105 4.906 10.084 274 H ILE 33 H ILE 33 2.239 3.692 5.783 275 HA ILE 33 HA ILE 33 3.763 5.984 4.948 276 HB ILE 33 HB ILE 33 4.608 3.703 4.587 277 HG12 ILE 33 2HG1 ILE 33 5.125 3.990 2.093 278 HG13 ILE 33 1HG1 ILE 33 4.113 5.429 2.164 279 HG21 ILE 33 1HG2 ILE 33 3.625 2.368 2.711 280 HG22 ILE 33 2HG2 ILE 33 2.245 3.466 2.742 281 HG23 ILE 33 3HG2 ILE 33 2.619 2.482 4.155 282 HD11 ILE 33 3HD1 ILE 33 6.621 5.741 2.406 283 HD12 ILE 33 1HD1 ILE 33 6.438 5.039 4.013 284 HD13 ILE 33 2HD1 ILE 33 5.592 6.529 3.601 285 H ALA 34 H ALA 34 0.747 4.445 4.031 286 HA ALA 34 HA ALA 34 0.376 5.951 1.634 287 HB1 ALA 34 1HB ALA 34 -2.124 5.163 2.249 288 HB2 ALA 34 2HB ALA 34 -1.191 4.018 3.213 289 HB3 ALA 34 3HB ALA 34 -0.932 4.120 1.471 290 H ASN 35 H ASN 35 -1.373 6.053 4.746 291 HA ASN 35 HA ASN 35 -2.768 8.409 4.273 292 HB2 ASN 35 2HB ASN 35 -2.719 6.610 6.287 293 HB3 ASN 35 1HB ASN 35 -1.880 7.950 7.061 294 HD21 ASN 35 1HD2 ASN 35 -3.278 10.026 5.648 295 HD22 ASN 35 2HD2 ASN 35 -4.888 10.064 6.280 296 H ALA 36 H ALA 36 0.555 7.951 5.230 297 HA ALA 36 HA ALA 36 0.893 10.725 5.998 298 HB1 ALA 36 1HB ALA 36 3.211 10.108 6.447 299 HB2 ALA 36 2HB ALA 36 2.926 8.514 5.748 300 HB3 ALA 36 3HB ALA 36 2.089 8.991 7.225 301 H LYS 37 H LYS 37 1.115 8.865 3.129 302 HA LYS 37 HA LYS 37 2.828 10.876 1.850 303 HB2 LYS 37 2HB LYS 37 2.043 8.078 1.058 304 HB3 LYS 37 1HB LYS 37 2.831 9.182 -0.058 305 HG2 LYS 37 2HG LYS 37 4.133 8.842 2.566 306 HG3 LYS 37 1HG LYS 37 4.151 7.442 1.492 307 HD2 LYS 37 2HD LYS 37 6.141 8.822 1.170 308 HD3 LYS 37 1HD LYS 37 5.134 8.811 -0.280 309 HE2 LYS 37 2HE LYS 37 5.931 11.053 0.163 310 HE3 LYS 37 1HE LYS 37 4.184 10.980 0.384 311 HZ1 LYS 37 3HZ LYS 37 5.164 12.219 2.167 312 HZ2 LYS 37 1HZ LYS 37 6.241 10.972 2.526 313 HZ3 LYS 37 2HZ LYS 37 4.583 10.768 2.791 314 H THR 38 H THR 38 -0.384 9.519 1.815 315 HA THR 38 HA THR 38 -1.286 11.703 0.138 316 HB THR 38 HB THR 38 -0.860 10.161 -1.593 317 HG1 THR 38 1HG THR 38 -2.891 10.983 -1.875 318 HG21 THR 38 3HG2 THR 38 -2.462 7.913 -0.829 319 HG22 THR 38 1HG2 THR 38 -1.177 8.195 0.342 320 HG23 THR 38 2HG2 THR 38 -0.782 7.972 -1.361 321 H VAL 39 H VAL 39 -3.786 11.479 -0.153 322 HA VAL 39 HA VAL 39 -5.092 10.136 2.049 323 HB VAL 39 HB VAL 39 -5.342 13.129 1.800 324 HG11 VAL 39 1HG1 VAL 39 -7.286 12.604 2.819 325 HG12 VAL 39 2HG1 VAL 39 -6.259 12.525 4.249 326 HG13 VAL 39 3HG1 VAL 39 -6.692 11.046 3.392 327 HG21 VAL 39 3HG2 VAL 39 -3.134 12.631 2.610 328 HG22 VAL 39 1HG2 VAL 39 -3.776 11.497 3.789 329 HG23 VAL 39 2HG2 VAL 39 -4.113 13.214 3.951 330 H GLU 40 H GLU 40 -5.385 9.586 -0.603 331 HA GLU 40 HA GLU 40 -8.147 9.770 -0.992 332 HB2 GLU 40 2HB GLU 40 -6.628 12.025 -1.979 333 HB3 GLU 40 1HB GLU 40 -7.461 11.194 -3.294 334 HG2 GLU 40 2HG GLU 40 -9.468 11.321 -1.561 335 HG3 GLU 40 1HG GLU 40 -8.560 12.722 -1.009 336 H GLY 41 H GLY 41 -8.535 7.897 -1.968 337 HA2 GLY 41 2HA GLY 41 -7.736 7.188 -4.514 338 HA3 GLY 41 1HA GLY 41 -6.521 6.501 -3.437 339 H VAL 42 H VAL 42 -7.847 4.745 -4.921 340 HA VAL 42 HA VAL 42 -10.016 3.681 -3.256 341 HB VAL 42 HB VAL 42 -10.396 2.097 -5.183 342 HG11 VAL 42 1HG1 VAL 42 -11.522 4.405 -4.705 343 HG12 VAL 42 2HG1 VAL 42 -11.835 3.556 -6.218 344 HG13 VAL 42 3HG1 VAL 42 -10.686 4.893 -6.181 345 HG21 VAL 42 3HG2 VAL 42 -9.369 2.384 -7.250 346 HG22 VAL 42 1HG2 VAL 42 -8.033 2.598 -6.121 347 HG23 VAL 42 2HG2 VAL 42 -8.803 4.004 -6.855 348 H TRP 43 H TRP 43 -9.391 2.337 -1.769 349 HA TRP 43 HA TRP 43 -6.917 0.970 -1.757 350 HB2 TRP 43 2HB TRP 43 -9.280 1.321 -0.035 351 HB3 TRP 43 1HB TRP 43 -8.406 -0.169 0.207 352 HD1 TRP 43 HD TRP 43 -7.924 3.645 0.400 353 HE1 TRP 43 1HE TRP 43 -5.987 4.158 2.001 354 HE3 TRP 43 3HE TRP 43 -6.290 -1.141 1.294 355 HZ2 TRP 43 2HZ TRP 43 -4.039 2.768 3.444 356 HZ3 TRP 43 3HZ TRP 43 -4.323 -1.443 2.856 357 HH2 TRP 43 HH TRP 43 -3.253 0.486 3.872 358 H THR 44 H THR 44 -6.880 -0.417 -3.575 359 HA THR 44 HA THR 44 -8.840 -2.614 -3.548 360 HB THR 44 HB THR 44 -7.719 -3.027 -5.887 361 HG1 THR 44 1HG THR 44 -6.157 -1.293 -5.421 362 HG21 THR 44 3HG2 THR 44 -9.509 -0.632 -5.567 363 HG22 THR 44 1HG2 THR 44 -10.071 -2.306 -5.543 364 HG23 THR 44 2HG2 THR 44 -9.317 -1.647 -6.997 365 H TYR 45 H TYR 45 -8.066 -4.794 -3.826 366 HA TYR 45 HA TYR 45 -5.207 -5.203 -3.421 367 HB2 TYR 45 2HB TYR 45 -5.725 -5.265 -1.163 368 HB3 TYR 45 1HB TYR 45 -7.328 -5.947 -1.436 369 HD1 TYR 45 1HD TYR 45 -7.532 -8.384 -1.992 370 HD2 TYR 45 2HD TYR 45 -3.850 -6.642 -0.756 371 HE1 TYR 45 1HE TYR 45 -6.667 -10.620 -1.446 372 HE2 TYR 45 2HE TYR 45 -2.973 -8.872 -0.207 373 HH TYR 45 HH TYR 45 -3.873 -11.113 0.382 374 H LYS 46 H LYS 46 -4.427 -7.175 -4.106 375 HA LYS 46 HA LYS 46 -6.359 -8.892 -5.512 376 HB2 LYS 46 2HB LYS 46 -4.746 -7.443 -6.915 377 HB3 LYS 46 1HB LYS 46 -3.505 -8.576 -6.383 378 HG2 LYS 46 2HG LYS 46 -5.257 -10.347 -7.260 379 HG3 LYS 46 1HG LYS 46 -5.769 -8.977 -8.243 380 HD2 LYS 46 2HD LYS 46 -2.873 -9.601 -8.084 381 HD3 LYS 46 1HD LYS 46 -3.906 -10.645 -9.061 382 HE2 LYS 46 2HE LYS 46 -3.794 -7.644 -9.323 383 HE3 LYS 46 1HE LYS 46 -2.849 -8.757 -10.314 384 HZ1 LYS 46 3HZ LYS 46 -5.227 -9.780 -10.697 385 HZ2 LYS 46 1HZ LYS 46 -4.646 -8.512 -11.652 386 HZ3 LYS 46 2HZ LYS 46 -5.707 -8.191 -10.372 387 H ASP 47 H ASP 47 -6.161 -11.075 -5.305 388 HA ASP 47 HA ASP 47 -4.490 -12.007 -3.121 389 HB2 ASP 47 2HB ASP 47 -6.666 -13.319 -4.758 390 HB3 ASP 47 1HB ASP 47 -5.746 -14.176 -3.520 391 H GLU 48 H GLU 48 -3.560 -14.277 -3.425 392 HA GLU 48 HA GLU 48 -2.208 -15.817 -4.596 393 HB2 GLU 48 2HB GLU 48 -2.314 -14.000 -7.009 394 HB3 GLU 48 1HB GLU 48 -1.872 -15.697 -6.942 395 HG2 GLU 48 2HG GLU 48 -4.581 -15.060 -6.001 396 HG3 GLU 48 1HG GLU 48 -4.278 -14.799 -7.716 397 H ILE 49 H ILE 49 -1.648 -12.355 -4.832 398 HA ILE 49 HA ILE 49 1.223 -12.871 -4.429 399 HB ILE 49 HB ILE 49 0.122 -10.402 -5.750 400 HG12 ILE 49 2HG1 ILE 49 1.519 -12.092 -7.582 401 HG13 ILE 49 1HG1 ILE 49 0.220 -13.016 -6.841 402 HG21 ILE 49 1HG2 ILE 49 2.250 -9.934 -4.944 403 HG22 ILE 49 2HG2 ILE 49 2.543 -10.399 -6.619 404 HG23 ILE 49 3HG2 ILE 49 2.852 -11.540 -5.318 405 HD11 ILE 49 3HD1 ILE 49 -1.129 -12.117 -8.335 406 HD12 ILE 49 1HD1 ILE 49 0.104 -10.963 -8.838 407 HD13 ILE 49 2HD1 ILE 49 -0.941 -10.590 -7.481 408 H LYS 50 H LYS 50 -1.621 -11.384 -3.252 409 HA LYS 50 HA LYS 50 -2.075 -10.155 -1.400 410 HB2 LYS 50 2HB LYS 50 0.772 -10.660 -0.541 411 HB3 LYS 50 1HB LYS 50 -0.616 -10.320 0.482 412 HG2 LYS 50 2HG LYS 50 -1.024 -12.672 -1.157 413 HG3 LYS 50 1HG LYS 50 0.408 -12.802 -0.136 414 HD2 LYS 50 2HD LYS 50 -0.798 -12.845 1.779 415 HD3 LYS 50 1HD LYS 50 -2.007 -11.728 1.159 416 HE2 LYS 50 2HE LYS 50 -3.253 -13.389 0.195 417 HE3 LYS 50 1HE LYS 50 -1.863 -14.454 -0.013 418 HZ1 LYS 50 3HZ LYS 50 -3.623 -14.124 2.280 419 HZ2 LYS 50 1HZ LYS 50 -1.979 -14.358 2.630 420 HZ3 LYS 50 2HZ LYS 50 -2.819 -15.511 1.719 421 H THR 51 H THR 51 -2.189 -8.294 -2.836 422 HA THR 51 HA THR 51 -0.288 -6.256 -2.014 423 HB THR 51 HB THR 51 -0.782 -6.921 -4.920 424 HG1 THR 51 1HG THR 51 0.830 -8.197 -4.320 425 HG21 THR 51 3HG2 THR 51 -0.613 -4.454 -4.423 426 HG22 THR 51 1HG2 THR 51 0.567 -5.109 -5.559 427 HG23 THR 51 2HG2 THR 51 1.039 -4.772 -3.893 428 H PHE 52 H PHE 52 -1.127 -4.271 -1.847 429 HA PHE 52 HA PHE 52 -3.914 -3.916 -2.714 430 HB2 PHE 52 2HB PHE 52 -2.765 -2.246 -0.520 431 HB3 PHE 52 1HB PHE 52 -4.417 -2.767 -0.774 432 HD1 PHE 52 2HD PHE 52 -1.064 -4.132 0.090 433 HD2 PHE 52 1HD PHE 52 -5.283 -4.450 0.548 434 HE1 PHE 52 2HE PHE 52 -0.747 -5.918 1.752 435 HE2 PHE 52 1HE PHE 52 -4.966 -6.233 2.211 436 HZ PHE 52 HZ PHE 52 -2.700 -6.970 2.814 437 H THR 53 H THR 53 -4.538 -1.686 -3.253 438 HA THR 53 HA THR 53 -2.346 0.092 -3.930 439 HB THR 53 HB THR 53 -4.279 -1.006 -5.988 440 HG1 THR 53 1HG THR 53 -2.410 -1.774 -6.955 441 HG21 THR 53 3HG2 THR 53 -3.703 1.493 -6.222 442 HG22 THR 53 1HG2 THR 53 -3.487 0.434 -7.613 443 HG23 THR 53 2HG2 THR 53 -2.089 0.922 -6.656 444 H VAL 54 H VAL 54 -2.965 2.250 -4.231 445 HA VAL 54 HA VAL 54 -5.779 2.866 -3.617 446 HB VAL 54 HB VAL 54 -3.855 3.229 -1.762 447 HG11 VAL 54 1HG1 VAL 54 -4.004 5.923 -3.108 448 HG12 VAL 54 2HG1 VAL 54 -2.607 4.848 -3.169 449 HG13 VAL 54 3HG1 VAL 54 -3.139 5.515 -1.627 450 HG21 VAL 54 3HG2 VAL 54 -6.292 4.902 -2.306 451 HG22 VAL 54 1HG2 VAL 54 -5.365 4.998 -0.807 452 HG23 VAL 54 2HG2 VAL 54 -6.146 3.485 -1.271 453 H THR 55 H THR 55 -6.503 3.580 -5.522 454 HA THR 55 HA THR 55 -4.868 5.510 -7.017 455 HB THR 55 HB THR 55 -7.273 4.164 -8.182 456 HG1 THR 55 1HG THR 55 -5.881 2.453 -8.825 457 HG21 THR 55 3HG2 THR 55 -5.020 4.206 -9.895 458 HG22 THR 55 1HG2 THR 55 -5.208 5.810 -9.187 459 HG23 THR 55 2HG2 THR 55 -6.549 5.068 -10.055 460 H GLU 56 H GLU 56 -5.513 7.555 -7.245 461 HA GLU 56 HA GLU 56 -8.049 8.349 -6.059 462 HB2 GLU 56 2HB GLU 56 -6.039 9.581 -5.412 463 HB3 GLU 56 1HB GLU 56 -5.741 10.000 -7.093 464 HG2 GLU 56 2HG GLU 56 -8.079 11.096 -6.998 465 HG3 GLU 56 1HG GLU 56 -7.877 10.999 -5.245 Start of MODEL 17 1 H1 THR 1 1HT THR 1 5.093 -13.308 4.692 2 H2 THR 1 2HT THR 1 4.736 -14.871 4.086 3 H3 THR 1 3HT THR 1 3.537 -13.644 4.055 4 HA THR 1 HA THR 1 5.890 -14.018 2.381 5 HB THR 1 HB THR 1 4.324 -13.664 0.627 6 HG1 THR 1 1HG THR 1 2.677 -12.588 2.645 7 HG21 THR 1 1HG2 THR 1 2.262 -14.965 2.160 8 HG22 THR 1 2HG2 THR 1 3.844 -15.660 2.494 9 HG23 THR 1 3HG2 THR 1 3.247 -15.586 0.836 10 H THR 2 H THR 2 5.443 -11.973 0.617 11 HA THR 2 HA THR 2 6.110 -9.605 2.238 12 HB THR 2 HB THR 2 6.895 -9.766 -0.630 13 HG1 THR 2 1HG THR 2 8.132 -11.229 1.450 14 HG21 THR 2 3HG2 THR 2 7.752 -7.835 0.180 15 HG22 THR 2 1HG2 THR 2 9.074 -8.920 0.611 16 HG23 THR 2 2HG2 THR 2 7.886 -8.453 1.826 17 H TYR 3 H TYR 3 4.357 -8.351 2.364 18 HA TYR 3 HA TYR 3 2.426 -8.209 0.231 19 HB2 TYR 3 2HB TYR 3 2.634 -6.646 2.816 20 HB3 TYR 3 1HB TYR 3 1.256 -6.609 1.712 21 HD1 TYR 3 1HD TYR 3 3.231 -8.868 3.905 22 HD2 TYR 3 2HD TYR 3 -0.453 -8.205 1.884 23 HE1 TYR 3 1HE TYR 3 2.247 -10.784 5.078 24 HE2 TYR 3 2HE TYR 3 -1.443 -10.127 3.053 25 HH TYR 3 HH TYR 3 -1.111 -11.445 5.043 26 H LYS 4 H LYS 4 1.899 -6.364 -0.995 27 HA LYS 4 HA LYS 4 3.884 -4.196 -0.979 28 HB2 LYS 4 2HB LYS 4 2.829 -5.479 -3.501 29 HB3 LYS 4 1HB LYS 4 4.059 -4.226 -3.383 30 HG2 LYS 4 2HG LYS 4 5.662 -5.708 -2.570 31 HG3 LYS 4 1HG LYS 4 4.454 -6.911 -2.116 32 HD2 LYS 4 2HD LYS 4 4.145 -7.616 -4.304 33 HD3 LYS 4 1HD LYS 4 4.782 -6.116 -4.982 34 HE2 LYS 4 2HE LYS 4 6.682 -7.247 -5.296 35 HE3 LYS 4 1HE LYS 4 6.916 -7.099 -3.555 36 HZ1 LYS 4 3HZ LYS 4 5.284 -9.322 -4.526 37 HZ2 LYS 4 1HZ LYS 4 6.334 -9.250 -3.200 38 HZ3 LYS 4 2HZ LYS 4 6.955 -9.418 -4.764 39 H LEU 5 H LEU 5 3.171 -2.195 -1.721 40 HA LEU 5 HA LEU 5 0.267 -1.946 -2.072 41 HB2 LEU 5 2HB LEU 5 0.477 -1.162 0.078 42 HB3 LEU 5 1HB LEU 5 2.110 -0.558 -0.195 43 HG LEU 5 HG LEU 5 1.260 1.390 -1.340 44 HD11 LEU 5 1HD1 LEU 5 -0.702 1.458 -2.374 45 HD12 LEU 5 2HD1 LEU 5 -1.564 1.071 -0.886 46 HD13 LEU 5 3HD1 LEU 5 -0.947 -0.225 -1.911 47 HD21 LEU 5 3HD2 LEU 5 0.297 0.687 1.345 48 HD22 LEU 5 1HD2 LEU 5 -0.534 2.042 0.579 49 HD23 LEU 5 2HD2 LEU 5 1.216 2.089 0.796 50 H ILE 6 H ILE 6 -0.381 -0.737 -3.749 51 HA ILE 6 HA ILE 6 1.686 0.710 -5.257 52 HB ILE 6 HB ILE 6 -0.964 -0.298 -6.263 53 HG12 ILE 6 2HG1 ILE 6 0.496 -2.159 -5.693 54 HG13 ILE 6 1HG1 ILE 6 0.359 -2.008 -7.443 55 HG21 ILE 6 1HG2 ILE 6 -0.134 1.653 -7.473 56 HG22 ILE 6 2HG2 ILE 6 -0.080 0.203 -8.477 57 HG23 ILE 6 3HG2 ILE 6 1.400 0.825 -7.746 58 HD11 ILE 6 3HD1 ILE 6 2.555 -0.448 -6.631 59 HD12 ILE 6 1HD1 ILE 6 2.553 -1.926 -7.589 60 HD13 ILE 6 2HD1 ILE 6 2.687 -2.013 -5.833 61 H LEU 7 H LEU 7 1.682 2.807 -4.819 62 HA LEU 7 HA LEU 7 -0.872 4.159 -4.303 63 HB2 LEU 7 2HB LEU 7 1.858 5.352 -3.900 64 HB3 LEU 7 1HB LEU 7 0.332 5.842 -3.173 65 HG LEU 7 HG LEU 7 1.433 3.129 -2.564 66 HD11 LEU 7 1HD1 LEU 7 3.351 4.162 -1.935 67 HD12 LEU 7 2HD1 LEU 7 2.396 4.486 -0.489 68 HD13 LEU 7 3HD1 LEU 7 2.573 5.729 -1.726 69 HD21 LEU 7 3HD2 LEU 7 0.406 4.060 -0.285 70 HD22 LEU 7 1HD2 LEU 7 -0.576 3.277 -1.523 71 HD23 LEU 7 2HD2 LEU 7 -0.521 5.037 -1.424 72 H ASN 8 H ASN 8 -1.757 5.306 -5.880 73 HA ASN 8 HA ASN 8 0.006 6.534 -7.894 74 HB2 ASN 8 2HB ASN 8 -1.394 4.446 -8.592 75 HB3 ASN 8 1HB ASN 8 -2.749 5.584 -8.601 76 HD21 ASN 8 1HD2 ASN 8 -2.411 4.597 -11.012 77 HD22 ASN 8 2HD2 ASN 8 -1.517 5.652 -12.038 78 H LEU 9 H LEU 9 -0.066 8.637 -7.433 79 HA LEU 9 HA LEU 9 -2.695 9.856 -6.906 80 HB2 LEU 9 2HB LEU 9 -1.475 11.675 -5.790 81 HB3 LEU 9 1HB LEU 9 -1.210 10.116 -5.024 82 HG LEU 9 HG LEU 9 0.824 10.728 -7.026 83 HD11 LEU 9 1HD1 LEU 9 0.287 13.026 -6.228 84 HD12 LEU 9 2HD1 LEU 9 1.932 12.508 -5.863 85 HD13 LEU 9 3HD1 LEU 9 0.702 12.507 -4.596 86 HD21 LEU 9 3HD2 LEU 9 2.305 9.997 -5.293 87 HD22 LEU 9 1HD2 LEU 9 0.903 8.924 -5.325 88 HD23 LEU 9 2HD2 LEU 9 1.037 10.157 -4.075 89 H LYS 10 H LYS 10 -2.502 12.372 -7.463 90 HA LYS 10 HA LYS 10 -2.071 12.442 -10.320 91 HB2 LYS 10 2HB LYS 10 -4.064 13.464 -9.132 92 HB3 LYS 10 1HB LYS 10 -2.973 14.709 -8.543 93 HG2 LYS 10 2HG LYS 10 -2.798 15.712 -10.571 94 HG3 LYS 10 1HG LYS 10 -3.010 14.207 -11.462 95 HD2 LYS 10 2HD LYS 10 -5.407 14.222 -10.805 96 HD3 LYS 10 1HD LYS 10 -5.155 15.799 -10.061 97 HE2 LYS 10 2HE LYS 10 -4.724 16.821 -12.131 98 HE3 LYS 10 1HE LYS 10 -4.473 15.280 -12.936 99 HZ1 LYS 10 3HZ LYS 10 -6.981 14.990 -12.108 100 HZ2 LYS 10 1HZ LYS 10 -6.571 15.645 -13.609 101 HZ3 LYS 10 2HZ LYS 10 -6.947 16.668 -12.316 102 H GLN 11 H GLN 11 0.344 12.066 -9.658 103 HA GLN 11 HA GLN 11 1.787 14.340 -10.419 104 HB2 GLN 11 2HB GLN 11 1.306 15.184 -8.212 105 HB3 GLN 11 1HB GLN 11 1.910 13.707 -7.464 106 HG2 GLN 11 2HG GLN 11 4.184 14.247 -8.412 107 HG3 GLN 11 1HG GLN 11 3.507 15.767 -9.011 108 HE21 GLN 11 1HE2 GLN 11 1.945 16.587 -6.995 109 HE22 GLN 11 2HE2 GLN 11 2.891 16.914 -5.583 110 H ALA 12 H ALA 12 2.127 11.483 -8.308 111 HA ALA 12 HA ALA 12 3.944 10.249 -10.168 112 HB1 ALA 12 1HB ALA 12 5.082 10.737 -7.440 113 HB2 ALA 12 2HB ALA 12 5.303 11.911 -8.735 114 HB3 ALA 12 3HB ALA 12 5.909 10.265 -8.924 115 H LYS 13 H LYS 13 4.539 8.064 -9.529 116 HA LYS 13 HA LYS 13 2.565 6.918 -7.681 117 HB2 LYS 13 2HB LYS 13 2.285 6.195 -9.998 118 HB3 LYS 13 1HB LYS 13 3.957 5.659 -10.050 119 HG2 LYS 13 2HG LYS 13 3.367 4.077 -8.168 120 HG3 LYS 13 1HG LYS 13 1.679 4.485 -8.489 121 HD2 LYS 13 2HD LYS 13 1.635 3.344 -10.450 122 HD3 LYS 13 1HD LYS 13 3.319 3.715 -10.825 123 HE2 LYS 13 2HE LYS 13 3.515 2.104 -8.602 124 HE3 LYS 13 1HE LYS 13 2.162 1.398 -9.486 125 HZ1 LYS 13 3HZ LYS 13 4.513 2.080 -11.058 126 HZ2 LYS 13 1HZ LYS 13 3.488 0.738 -11.167 127 HZ3 LYS 13 2HZ LYS 13 4.691 0.790 -9.980 128 H GLU 14 H GLU 14 3.309 6.078 -5.852 129 HA GLU 14 HA GLU 14 6.163 5.368 -5.694 130 HB2 GLU 14 2HB GLU 14 4.843 7.158 -4.152 131 HB3 GLU 14 1HB GLU 14 4.612 5.694 -3.194 132 HG2 GLU 14 2HG GLU 14 7.349 5.968 -4.090 133 HG3 GLU 14 1HG GLU 14 6.815 7.377 -3.175 134 H GLU 15 H GLU 15 6.784 3.395 -4.883 135 HA GLU 15 HA GLU 15 4.628 1.418 -4.608 136 HB2 GLU 15 2HB GLU 15 7.519 1.151 -5.412 137 HB3 GLU 15 1HB GLU 15 6.526 -0.241 -5.000 138 HG2 GLU 15 2HG GLU 15 5.124 1.370 -6.888 139 HG3 GLU 15 1HG GLU 15 6.759 1.082 -7.480 140 H ALA 16 H ALA 16 4.248 0.493 -2.719 141 HA ALA 16 HA ALA 16 6.241 0.818 -0.574 142 HB1 ALA 16 1HB ALA 16 3.988 0.167 0.761 143 HB2 ALA 16 2HB ALA 16 3.298 0.996 -0.634 144 HB3 ALA 16 3HB ALA 16 4.467 1.824 0.396 145 H ILE 17 H ILE 17 6.916 -0.959 0.580 146 HA ILE 17 HA ILE 17 5.620 -3.519 0.175 147 HB ILE 17 HB ILE 17 7.500 -4.702 -0.702 148 HG12 ILE 17 2HG1 ILE 17 9.103 -2.183 -1.039 149 HG13 ILE 17 1HG1 ILE 17 9.178 -3.071 0.479 150 HG21 ILE 17 1HG2 ILE 17 6.013 -3.525 -2.292 151 HG22 ILE 17 2HG2 ILE 17 7.640 -3.786 -2.920 152 HG23 ILE 17 3HG2 ILE 17 7.167 -2.190 -2.337 153 HD11 ILE 17 3HD1 ILE 17 9.515 -4.810 -1.807 154 HD12 ILE 17 1HD1 ILE 17 10.530 -4.593 -0.386 155 HD13 ILE 17 2HD1 ILE 17 10.706 -3.511 -1.768 156 H LYS 18 H LYS 18 6.340 -5.173 1.587 157 HA LYS 18 HA LYS 18 8.337 -4.735 3.557 158 HB2 LYS 18 2HB LYS 18 6.934 -3.206 4.624 159 HB3 LYS 18 1HB LYS 18 5.477 -4.110 4.210 160 HG2 LYS 18 2HG LYS 18 5.929 -4.250 6.586 161 HG3 LYS 18 1HG LYS 18 6.100 -5.837 5.835 162 HD2 LYS 18 2HD LYS 18 8.307 -5.950 6.286 163 HD3 LYS 18 1HD LYS 18 8.565 -4.238 5.949 164 HE2 LYS 18 2HE LYS 18 7.934 -3.597 8.103 165 HE3 LYS 18 1HE LYS 18 7.116 -5.127 8.417 166 HZ1 LYS 18 3HZ LYS 18 9.028 -6.143 8.978 167 HZ2 LYS 18 1HZ LYS 18 9.509 -4.566 9.358 168 HZ3 LYS 18 2HZ LYS 18 9.973 -5.259 7.886 169 H GLU 19 H GLU 19 8.889 -6.636 4.505 170 HA GLU 19 HA GLU 19 7.379 -8.995 3.697 171 HB2 GLU 19 2HB GLU 19 9.955 -8.659 3.508 172 HB3 GLU 19 1HB GLU 19 9.955 -9.070 5.215 173 HG2 GLU 19 2HG GLU 19 9.445 -11.241 4.828 174 HG3 GLU 19 1HG GLU 19 8.475 -10.874 3.408 175 H ALA 20 H ALA 20 5.788 -9.584 5.016 176 HA ALA 20 HA ALA 20 6.379 -9.859 7.871 177 HB1 ALA 20 1HB ALA 20 4.410 -8.791 8.589 178 HB2 ALA 20 2HB ALA 20 3.764 -8.711 6.950 179 HB3 ALA 20 3HB ALA 20 5.140 -7.706 7.407 180 H VAL 21 H VAL 21 5.489 -11.636 8.819 181 HA VAL 21 HA VAL 21 4.672 -13.782 7.223 182 HB VAL 21 HB VAL 21 4.019 -14.897 9.339 183 HG11 VAL 21 1HG1 VAL 21 6.269 -15.170 8.774 184 HG12 VAL 21 2HG1 VAL 21 6.315 -14.621 10.448 185 HG13 VAL 21 3HG1 VAL 21 6.662 -13.497 9.135 186 HG21 VAL 21 3HG2 VAL 21 3.087 -13.117 10.603 187 HG22 VAL 21 1HG2 VAL 21 4.578 -12.176 10.500 188 HG23 VAL 21 2HG2 VAL 21 4.528 -13.650 11.465 189 H ASP 22 H ASP 22 2.749 -11.605 9.271 190 HA ASP 22 HA ASP 22 0.308 -12.750 8.131 191 HB2 ASP 22 2HB ASP 22 -0.870 -11.602 9.955 192 HB3 ASP 22 1HB ASP 22 0.410 -12.628 10.584 193 H ALA 23 H ALA 23 -1.453 -10.646 8.383 194 HA ALA 23 HA ALA 23 -0.405 -8.768 6.385 195 HB1 ALA 23 1HB ALA 23 -3.316 -9.036 6.825 196 HB2 ALA 23 2HB ALA 23 -2.489 -10.365 6.027 197 HB3 ALA 23 3HB ALA 23 -2.423 -8.745 5.340 198 H GLY 24 H GLY 24 -2.040 -9.038 9.465 199 HA2 GLY 24 2HA GLY 24 -3.048 -6.513 9.870 200 HA3 GLY 24 1HA GLY 24 -2.316 -7.479 11.144 201 H THR 25 H THR 25 0.315 -7.531 9.978 202 HA THR 25 HA THR 25 1.260 -5.001 10.963 203 HB THR 25 HB THR 25 3.028 -6.990 9.590 204 HG1 THR 25 1HG THR 25 2.830 -8.417 11.154 205 HG21 THR 25 3HG2 THR 25 3.311 -5.105 11.890 206 HG22 THR 25 1HG2 THR 25 4.293 -5.242 10.430 207 HG23 THR 25 2HG2 THR 25 4.405 -6.474 11.689 208 H ALA 26 H ALA 26 0.674 -6.471 7.864 209 HA ALA 26 HA ALA 26 2.245 -4.583 6.369 210 HB1 ALA 26 1HB ALA 26 2.080 -6.449 5.100 211 HB2 ALA 26 2HB ALA 26 0.631 -5.641 4.504 212 HB3 ALA 26 3HB ALA 26 0.498 -6.883 5.749 213 H GLU 27 H GLU 27 -1.138 -4.972 7.249 214 HA GLU 27 HA GLU 27 -2.145 -2.872 5.631 215 HB2 GLU 27 2HB GLU 27 -3.575 -4.649 6.571 216 HB3 GLU 27 1HB GLU 27 -3.274 -4.035 8.190 217 HG2 GLU 27 2HG GLU 27 -4.341 -1.910 7.553 218 HG3 GLU 27 1HG GLU 27 -4.708 -2.597 5.971 219 H LYS 28 H LYS 28 -1.636 -2.999 9.165 220 HA LYS 28 HA LYS 28 -2.058 -0.297 9.677 221 HB2 LYS 28 2HB LYS 28 -0.793 -2.554 11.081 222 HB3 LYS 28 1HB LYS 28 -0.207 -0.971 11.572 223 HG2 LYS 28 2HG LYS 28 -2.932 -0.624 11.530 224 HG3 LYS 28 1HG LYS 28 -2.749 -2.273 12.129 225 HD2 LYS 28 2HD LYS 28 -1.055 -0.081 13.264 226 HD3 LYS 28 1HD LYS 28 -2.734 -0.267 13.798 227 HE2 LYS 28 2HE LYS 28 -1.141 -2.744 13.730 228 HE3 LYS 28 1HE LYS 28 -0.615 -1.545 14.911 229 HZ1 LYS 28 3HZ LYS 28 -2.489 -1.793 16.128 230 HZ2 LYS 28 1HZ LYS 28 -2.505 -3.327 15.413 231 HZ3 LYS 28 2HZ LYS 28 -3.479 -2.091 14.790 232 H TYR 29 H TYR 29 0.896 -1.974 8.712 233 HA TYR 29 HA TYR 29 2.608 0.278 9.024 234 HB2 TYR 29 2HB TYR 29 3.622 -1.893 9.005 235 HB3 TYR 29 1HB TYR 29 2.886 -2.291 7.450 236 HD1 TYR 29 2HD TYR 29 3.677 -1.035 5.393 237 HD2 TYR 29 1HD TYR 29 5.728 -0.862 9.116 238 HE1 TYR 29 2HE TYR 29 5.695 -0.238 4.238 239 HE2 TYR 29 1HE TYR 29 7.752 -0.064 7.972 240 HH TYR 29 HH TYR 29 8.595 -0.383 5.288 241 H PHE 30 H PHE 30 1.026 -1.185 6.191 242 HA PHE 30 HA PHE 30 1.971 0.660 4.301 243 HB2 PHE 30 2HB PHE 30 -0.354 -1.228 4.404 244 HB3 PHE 30 1HB PHE 30 -0.276 -0.041 3.102 245 HD1 PHE 30 2HD PHE 30 2.822 -0.104 2.911 246 HD2 PHE 30 1HD PHE 30 -0.155 -3.158 2.976 247 HE1 PHE 30 2HE PHE 30 4.317 -1.591 1.645 248 HE2 PHE 30 1HE PHE 30 1.341 -4.639 1.709 249 HZ PHE 30 HZ PHE 30 3.577 -3.857 1.043 250 H LYS 31 H LYS 31 -0.933 0.636 6.320 251 HA LYS 31 HA LYS 31 -2.170 2.906 5.273 252 HB2 LYS 31 2HB LYS 31 -2.944 1.152 7.068 253 HB3 LYS 31 1HB LYS 31 -2.281 2.317 8.206 254 HG2 LYS 31 2HG LYS 31 -3.845 3.844 6.500 255 HG3 LYS 31 1HG LYS 31 -4.780 2.365 6.748 256 HD2 LYS 31 2HD LYS 31 -3.553 3.587 9.149 257 HD3 LYS 31 1HD LYS 31 -4.900 4.459 8.413 258 HE2 LYS 31 2HE LYS 31 -4.881 1.630 9.442 259 HE3 LYS 31 1HE LYS 31 -5.785 3.000 10.082 260 HZ1 LYS 31 3HZ LYS 31 -7.415 2.119 8.841 261 HZ2 LYS 31 1HZ LYS 31 -6.365 1.299 7.805 262 HZ3 LYS 31 2HZ LYS 31 -6.667 2.946 7.572 263 H LEU 32 H LEU 32 0.510 2.609 7.516 264 HA LEU 32 HA LEU 32 0.447 5.305 8.426 265 HB2 LEU 32 2HB LEU 32 2.596 3.192 8.464 266 HB3 LEU 32 1HB LEU 32 2.796 4.785 9.178 267 HG LEU 32 HG LEU 32 1.658 2.444 10.331 268 HD11 LEU 32 1HD1 LEU 32 1.555 3.951 12.331 269 HD12 LEU 32 2HD1 LEU 32 2.072 5.265 11.275 270 HD13 LEU 32 3HD1 LEU 32 3.124 3.871 11.530 271 HD21 LEU 32 3HD2 LEU 32 -0.434 3.376 11.229 272 HD22 LEU 32 1HD2 LEU 32 -0.509 3.119 9.487 273 HD23 LEU 32 2HD2 LEU 32 -0.284 4.745 10.130 274 H ILE 33 H ILE 33 2.134 3.619 5.810 275 HA ILE 33 HA ILE 33 3.676 5.946 5.092 276 HB ILE 33 HB ILE 33 4.564 3.689 4.697 277 HG12 ILE 33 2HG1 ILE 33 4.623 4.263 1.952 278 HG13 ILE 33 1HG1 ILE 33 4.406 5.821 2.742 279 HG21 ILE 33 1HG2 ILE 33 2.250 3.464 2.788 280 HG22 ILE 33 2HG2 ILE 33 2.614 2.445 4.180 281 HG23 ILE 33 3HG2 ILE 33 3.650 2.391 2.754 282 HD11 ILE 33 3HD1 ILE 33 6.631 5.799 2.890 283 HD12 ILE 33 1HD1 ILE 33 6.729 4.052 2.666 284 HD13 ILE 33 2HD1 ILE 33 6.367 4.719 4.258 285 H ALA 34 H ALA 34 0.697 4.412 4.066 286 HA ALA 34 HA ALA 34 0.364 5.895 1.664 287 HB1 ALA 34 1HB ALA 34 -1.296 4.087 3.311 288 HB2 ALA 34 2HB ALA 34 -1.004 4.093 1.571 289 HB3 ALA 34 3HB ALA 34 -2.162 5.222 2.276 290 H ASN 35 H ASN 35 -1.469 6.131 4.719 291 HA ASN 35 HA ASN 35 -2.704 8.553 4.185 292 HB2 ASN 35 2HB ASN 35 -1.904 7.269 6.796 293 HB3 ASN 35 1HB ASN 35 -2.845 8.756 6.728 294 HD21 ASN 35 1HD2 ASN 35 -4.489 8.171 4.533 295 HD22 ASN 35 2HD2 ASN 35 -5.544 6.878 4.975 296 H ALA 36 H ALA 36 0.521 7.917 5.389 297 HA ALA 36 HA ALA 36 1.038 10.630 6.159 298 HB1 ALA 36 1HB ALA 36 3.348 9.890 6.455 299 HB2 ALA 36 2HB ALA 36 2.959 8.355 5.677 300 HB3 ALA 36 3HB ALA 36 2.215 8.776 7.220 301 H LYS 37 H LYS 37 1.242 8.804 3.222 302 HA LYS 37 HA LYS 37 2.945 10.787 1.934 303 HB2 LYS 37 2HB LYS 37 1.970 8.061 1.254 304 HB3 LYS 37 1HB LYS 37 2.324 9.148 -0.083 305 HG2 LYS 37 2HG LYS 37 4.485 9.325 1.723 306 HG3 LYS 37 1HG LYS 37 4.119 7.612 1.508 307 HD2 LYS 37 2HD LYS 37 5.747 8.349 -0.142 308 HD3 LYS 37 1HD LYS 37 4.231 7.908 -0.927 309 HE2 LYS 37 2HE LYS 37 5.244 9.994 -1.804 310 HE3 LYS 37 1HE LYS 37 3.613 10.207 -1.172 311 HZ1 LYS 37 3HZ LYS 37 4.335 11.494 0.512 312 HZ2 LYS 37 1HZ LYS 37 5.635 11.791 -0.530 313 HZ3 LYS 37 2HZ LYS 37 5.787 10.646 0.710 314 H THR 38 H THR 38 -0.390 9.688 1.942 315 HA THR 38 HA THR 38 -1.198 12.141 0.634 316 HB THR 38 HB THR 38 -2.739 10.492 -0.836 317 HG1 THR 38 1HG THR 38 -1.583 8.736 -1.493 318 HG21 THR 38 3HG2 THR 38 -0.987 10.685 -2.665 319 HG22 THR 38 1HG2 THR 38 -0.019 11.560 -1.478 320 HG23 THR 38 2HG2 THR 38 -1.598 12.181 -1.961 321 H VAL 39 H VAL 39 -3.791 11.806 0.222 322 HA VAL 39 HA VAL 39 -4.999 10.407 2.456 323 HB VAL 39 HB VAL 39 -5.457 13.369 2.153 324 HG11 VAL 39 1HG1 VAL 39 -7.031 11.473 3.323 325 HG12 VAL 39 2HG1 VAL 39 -7.027 13.185 3.743 326 HG13 VAL 39 3HG1 VAL 39 -6.068 12.043 4.687 327 HG21 VAL 39 3HG2 VAL 39 -3.735 11.937 4.168 328 HG22 VAL 39 1HG2 VAL 39 -4.147 13.651 4.204 329 HG23 VAL 39 2HG2 VAL 39 -3.173 12.998 2.887 330 H GLU 40 H GLU 40 -5.204 9.951 -0.295 331 HA GLU 40 HA GLU 40 -8.017 9.942 -0.628 332 HB2 GLU 40 2HB GLU 40 -6.986 12.344 -1.336 333 HB3 GLU 40 1HB GLU 40 -6.844 11.475 -2.864 334 HG2 GLU 40 2HG GLU 40 -9.029 11.593 -3.253 335 HG3 GLU 40 1HG GLU 40 -9.436 11.108 -1.611 336 H GLY 41 H GLY 41 -8.519 8.210 -1.821 337 HA2 GLY 41 2HA GLY 41 -7.473 7.423 -4.243 338 HA3 GLY 41 1HA GLY 41 -6.435 6.665 -3.037 339 H VAL 42 H VAL 42 -7.701 5.012 -4.682 340 HA VAL 42 HA VAL 42 -10.069 4.043 -3.220 341 HB VAL 42 HB VAL 42 -9.142 3.166 -5.962 342 HG11 VAL 42 1HG1 VAL 42 -10.936 1.806 -6.042 343 HG12 VAL 42 2HG1 VAL 42 -11.956 2.911 -5.109 344 HG13 VAL 42 3HG1 VAL 42 -10.799 1.867 -4.284 345 HG21 VAL 42 3HG2 VAL 42 -11.522 4.905 -5.581 346 HG22 VAL 42 1HG2 VAL 42 -10.459 4.743 -6.972 347 HG23 VAL 42 2HG2 VAL 42 -9.928 5.652 -5.557 348 H TRP 43 H TRP 43 -9.497 2.683 -1.706 349 HA TRP 43 HA TRP 43 -7.148 1.144 -1.671 350 HB2 TRP 43 2HB TRP 43 -9.567 1.557 -0.024 351 HB3 TRP 43 1HB TRP 43 -8.743 0.040 0.221 352 HD1 TRP 43 HD TRP 43 -8.155 3.839 0.483 353 HE1 TRP 43 1HE TRP 43 -6.250 4.280 2.135 354 HE3 TRP 43 3HE TRP 43 -6.681 -1.000 1.354 355 HZ2 TRP 43 2HZ TRP 43 -4.370 2.821 3.609 356 HZ3 TRP 43 3HZ TRP 43 -4.758 -1.375 2.958 357 HH2 TRP 43 HH TRP 43 -3.668 0.512 4.027 358 H THR 44 H THR 44 -6.753 -0.821 -2.466 359 HA THR 44 HA THR 44 -8.883 -2.747 -2.861 360 HB THR 44 HB THR 44 -7.906 -3.138 -5.255 361 HG1 THR 44 1HG THR 44 -6.752 -1.575 -6.054 362 HG21 THR 44 3HG2 THR 44 -9.660 -0.734 -4.843 363 HG22 THR 44 1HG2 THR 44 -10.221 -2.402 -4.771 364 HG23 THR 44 2HG2 THR 44 -9.560 -1.763 -6.271 365 H TYR 45 H TYR 45 -8.068 -4.910 -3.283 366 HA TYR 45 HA TYR 45 -5.183 -5.257 -2.953 367 HB2 TYR 45 2HB TYR 45 -5.732 -5.384 -0.681 368 HB3 TYR 45 1HB TYR 45 -7.259 -6.215 -0.988 369 HD1 TYR 45 1HD TYR 45 -7.168 -8.635 -1.749 370 HD2 TYR 45 2HD TYR 45 -3.772 -6.586 -0.211 371 HE1 TYR 45 1HE TYR 45 -6.084 -10.793 -1.291 372 HE2 TYR 45 2HE TYR 45 -2.678 -8.740 0.249 373 HH TYR 45 HH TYR 45 -3.815 -11.679 -0.993 374 H LYS 46 H LYS 46 -4.359 -7.116 -3.820 375 HA LYS 46 HA LYS 46 -6.288 -8.877 -5.184 376 HB2 LYS 46 2HB LYS 46 -3.520 -8.291 -6.201 377 HB3 LYS 46 1HB LYS 46 -4.857 -9.053 -7.061 378 HG2 LYS 46 2HG LYS 46 -6.061 -6.950 -7.097 379 HG3 LYS 46 1HG LYS 46 -4.768 -6.174 -6.176 380 HD2 LYS 46 2HD LYS 46 -4.440 -5.597 -8.456 381 HD3 LYS 46 1HD LYS 46 -3.209 -6.791 -8.041 382 HE2 LYS 46 2HE LYS 46 -4.835 -8.522 -8.961 383 HE3 LYS 46 1HE LYS 46 -5.706 -7.156 -9.657 384 HZ1 LYS 46 3HZ LYS 46 -2.842 -7.240 -10.151 385 HZ2 LYS 46 1HZ LYS 46 -4.106 -6.811 -11.185 386 HZ3 LYS 46 2HZ LYS 46 -3.753 -8.440 -10.907 387 H ASP 47 H ASP 47 -5.911 -11.061 -5.156 388 HA ASP 47 HA ASP 47 -4.122 -11.998 -3.079 389 HB2 ASP 47 2HB ASP 47 -6.604 -12.772 -3.744 390 HB3 ASP 47 1HB ASP 47 -5.682 -13.928 -4.710 391 H GLU 48 H GLU 48 -3.151 -14.282 -3.655 392 HA GLU 48 HA GLU 48 -1.738 -15.615 -5.002 393 HB2 GLU 48 2HB GLU 48 -1.782 -13.481 -7.135 394 HB3 GLU 48 1HB GLU 48 -1.390 -15.187 -7.292 395 HG2 GLU 48 2HG GLU 48 -4.090 -14.736 -6.314 396 HG3 GLU 48 1HG GLU 48 -3.795 -14.004 -7.887 397 H ILE 49 H ILE 49 -1.260 -12.131 -4.741 398 HA ILE 49 HA ILE 49 1.571 -12.650 -4.165 399 HB ILE 49 HB ILE 49 2.032 -10.358 -5.159 400 HG12 ILE 49 2HG1 ILE 49 -0.244 -10.710 -6.997 401 HG13 ILE 49 1HG1 ILE 49 -0.682 -10.198 -5.373 402 HG21 ILE 49 1HG2 ILE 49 1.257 -12.704 -6.861 403 HG22 ILE 49 2HG2 ILE 49 2.859 -12.285 -6.249 404 HG23 ILE 49 3HG2 ILE 49 2.093 -11.293 -7.495 405 HD11 ILE 49 3HD1 ILE 49 0.722 -8.748 -7.500 406 HD12 ILE 49 1HD1 ILE 49 1.347 -8.513 -5.871 407 HD13 ILE 49 2HD1 ILE 49 -0.342 -8.156 -6.231 408 H LYS 50 H LYS 50 -1.331 -11.470 -3.037 409 HA LYS 50 HA LYS 50 -1.973 -10.163 -1.297 410 HB2 LYS 50 2HB LYS 50 0.795 -10.888 -0.338 411 HB3 LYS 50 1HB LYS 50 -0.460 -10.188 0.668 412 HG2 LYS 50 2HG LYS 50 -0.851 -12.330 1.191 413 HG3 LYS 50 1HG LYS 50 -1.797 -12.295 -0.298 414 HD2 LYS 50 2HD LYS 50 0.531 -12.921 -1.378 415 HD3 LYS 50 1HD LYS 50 0.861 -13.524 0.243 416 HE2 LYS 50 2HE LYS 50 -0.700 -15.185 0.088 417 HE3 LYS 50 1HE LYS 50 -1.723 -14.268 -1.018 418 HZ1 LYS 50 3HZ LYS 50 0.839 -14.959 -2.128 419 HZ2 LYS 50 1HZ LYS 50 -0.709 -15.143 -2.785 420 HZ3 LYS 50 2HZ LYS 50 -0.096 -16.313 -1.722 421 H THR 51 H THR 51 -2.115 -8.198 -2.458 422 HA THR 51 HA THR 51 -0.276 -6.189 -1.499 423 HB THR 51 HB THR 51 0.409 -5.342 -3.636 424 HG1 THR 51 1HG THR 51 -1.121 -5.669 -5.077 425 HG21 THR 51 3HG2 THR 51 1.761 -7.094 -4.543 426 HG22 THR 51 1HG2 THR 51 0.760 -8.325 -3.770 427 HG23 THR 51 2HG2 THR 51 1.742 -7.241 -2.786 428 H PHE 52 H PHE 52 -1.159 -4.209 -1.339 429 HA PHE 52 HA PHE 52 -3.940 -3.940 -2.236 430 HB2 PHE 52 2HB PHE 52 -2.709 -2.170 -0.150 431 HB3 PHE 52 1HB PHE 52 -4.397 -2.607 -0.374 432 HD1 PHE 52 2HD PHE 52 -1.108 -4.039 0.598 433 HD2 PHE 52 1HD PHE 52 -5.344 -4.283 0.920 434 HE1 PHE 52 2HE PHE 52 -0.874 -5.788 2.312 435 HE2 PHE 52 1HE PHE 52 -5.110 -6.029 2.634 436 HZ PHE 52 HZ PHE 52 -2.879 -6.786 3.333 437 H THR 53 H THR 53 -4.625 -1.679 -2.798 438 HA THR 53 HA THR 53 -2.461 0.022 -3.735 439 HB THR 53 HB THR 53 -4.560 -1.142 -5.573 440 HG1 THR 53 1HG THR 53 -2.691 -2.415 -5.207 441 HG21 THR 53 3HG2 THR 53 -3.819 0.181 -7.352 442 HG22 THR 53 1HG2 THR 53 -2.440 0.795 -6.440 443 HG23 THR 53 2HG2 THR 53 -4.078 1.306 -6.020 444 H VAL 54 H VAL 54 -3.084 2.170 -4.188 445 HA VAL 54 HA VAL 54 -5.830 2.909 -3.487 446 HB VAL 54 HB VAL 54 -3.982 3.155 -1.572 447 HG11 VAL 54 1HG1 VAL 54 -2.557 4.657 -2.978 448 HG12 VAL 54 2HG1 VAL 54 -3.021 5.325 -1.414 449 HG13 VAL 54 3HG1 VAL 54 -3.840 5.864 -2.880 450 HG21 VAL 54 3HG2 VAL 54 -6.144 3.652 -0.986 451 HG22 VAL 54 1HG2 VAL 54 -6.337 4.845 -2.268 452 HG23 VAL 54 2HG2 VAL 54 -5.381 5.234 -0.839 453 H THR 55 H THR 55 -6.485 3.667 -5.393 454 HA THR 55 HA THR 55 -4.739 5.494 -6.874 455 HB THR 55 HB THR 55 -7.219 4.057 -7.823 456 HG1 THR 55 1HG THR 55 -4.483 3.481 -8.261 457 HG21 THR 55 3HG2 THR 55 -5.175 5.061 -9.697 458 HG22 THR 55 1HG2 THR 55 -6.271 6.239 -8.988 459 HG23 THR 55 2HG2 THR 55 -6.906 4.878 -9.897 460 H GLU 56 H GLU 56 -5.163 7.593 -6.937 461 HA GLU 56 HA GLU 56 -7.677 8.565 -5.817 462 HB2 GLU 56 2HB GLU 56 -5.684 9.557 -4.890 463 HB3 GLU 56 1HB GLU 56 -5.086 9.953 -6.487 464 HG2 GLU 56 2HG GLU 56 -7.697 11.100 -5.946 465 HG3 GLU 56 1HG GLU 56 -6.460 11.630 -4.814 Start of MODEL 18 1 H1 THR 1 1HT THR 1 6.389 -13.536 5.135 2 H2 THR 1 2HT THR 1 5.267 -14.836 5.244 3 H3 THR 1 3HT THR 1 4.859 -13.287 5.864 4 HA THR 1 HA THR 1 5.119 -14.158 3.083 5 HB THR 1 HB THR 1 2.885 -12.817 3.123 6 HG1 THR 1 1HG THR 1 3.363 -12.052 5.319 7 HG21 THR 1 1HG2 THR 1 3.010 -15.408 4.645 8 HG22 THR 1 2HG2 THR 1 2.991 -15.264 2.887 9 HG23 THR 1 3HG2 THR 1 1.602 -14.720 3.832 10 H THR 2 H THR 2 4.155 -12.117 1.742 11 HA THR 2 HA THR 2 5.607 -9.696 2.515 12 HB THR 2 HB THR 2 7.124 -10.972 1.060 13 HG1 THR 2 1HG THR 2 7.407 -9.325 -0.506 14 HG21 THR 2 3HG2 THR 2 5.025 -11.919 -0.272 15 HG22 THR 2 1HG2 THR 2 6.638 -11.807 -0.976 16 HG23 THR 2 2HG2 THR 2 5.440 -10.565 -1.323 17 H TYR 3 H TYR 3 4.546 -7.862 2.041 18 HA TYR 3 HA TYR 3 2.192 -8.068 0.283 19 HB2 TYR 3 2HB TYR 3 2.418 -6.270 2.701 20 HB3 TYR 3 1HB TYR 3 0.985 -6.559 1.713 21 HD1 TYR 3 2HD TYR 3 3.287 -8.111 4.166 22 HD2 TYR 3 1HD TYR 3 -0.433 -8.414 2.120 23 HE1 TYR 3 2HE TYR 3 2.618 -9.935 5.663 24 HE2 TYR 3 1HE TYR 3 -1.109 -10.245 3.614 25 HH TYR 3 HH TYR 3 0.785 -12.037 5.306 26 H LYS 4 H LYS 4 1.665 -6.243 -0.974 27 HA LYS 4 HA LYS 4 3.714 -4.137 -1.103 28 HB2 LYS 4 2HB LYS 4 2.500 -5.443 -3.541 29 HB3 LYS 4 1HB LYS 4 3.793 -4.249 -3.505 30 HG2 LYS 4 2HG LYS 4 5.375 -5.776 -2.877 31 HG3 LYS 4 1HG LYS 4 4.202 -6.833 -2.088 32 HD2 LYS 4 2HD LYS 4 3.747 -7.956 -3.991 33 HD3 LYS 4 1HD LYS 4 3.842 -6.505 -4.990 34 HE2 LYS 4 2HE LYS 4 6.439 -6.826 -4.219 35 HE3 LYS 4 1HE LYS 4 5.894 -8.498 -4.353 36 HZ1 LYS 4 3HZ LYS 4 6.565 -8.078 -6.482 37 HZ2 LYS 4 1HZ LYS 4 6.122 -6.445 -6.437 38 HZ3 LYS 4 2HZ LYS 4 4.938 -7.640 -6.605 39 H LEU 5 H LEU 5 3.029 -2.136 -1.882 40 HA LEU 5 HA LEU 5 0.125 -1.805 -2.159 41 HB2 LEU 5 2HB LEU 5 0.411 -1.084 0.016 42 HB3 LEU 5 1HB LEU 5 2.023 -0.445 -0.303 43 HG LEU 5 HG LEU 5 1.071 1.483 -1.440 44 HD11 LEU 5 1HD1 LEU 5 -1.171 1.791 -1.912 45 HD12 LEU 5 2HD1 LEU 5 -1.693 0.594 -0.726 46 HD13 LEU 5 3HD1 LEU 5 -0.953 0.071 -2.238 47 HD21 LEU 5 3HD2 LEU 5 -0.547 2.171 0.588 48 HD22 LEU 5 1HD2 LEU 5 1.213 2.151 0.714 49 HD23 LEU 5 2HD2 LEU 5 0.271 0.787 1.316 50 H ILE 6 H ILE 6 -0.415 -0.778 -3.965 51 HA ILE 6 HA ILE 6 1.642 0.775 -5.371 52 HB ILE 6 HB ILE 6 -0.951 -0.251 -6.493 53 HG12 ILE 6 2HG1 ILE 6 0.479 -2.111 -5.757 54 HG13 ILE 6 1HG1 ILE 6 0.344 -2.048 -7.513 55 HG21 ILE 6 1HG2 ILE 6 -0.109 0.316 -8.617 56 HG22 ILE 6 2HG2 ILE 6 1.515 0.583 -7.983 57 HG23 ILE 6 3HG2 ILE 6 0.216 1.710 -7.588 58 HD11 ILE 6 3HD1 ILE 6 2.582 -0.503 -6.607 59 HD12 ILE 6 1HD1 ILE 6 2.531 -1.856 -7.734 60 HD13 ILE 6 2HD1 ILE 6 2.669 -2.157 -6.003 61 H LEU 7 H LEU 7 1.553 2.886 -5.022 62 HA LEU 7 HA LEU 7 -1.032 4.143 -4.463 63 HB2 LEU 7 2HB LEU 7 1.685 5.430 -4.274 64 HB3 LEU 7 1HB LEU 7 0.178 5.974 -3.545 65 HG LEU 7 HG LEU 7 1.222 3.306 -2.734 66 HD11 LEU 7 1HD1 LEU 7 2.481 4.675 -0.901 67 HD12 LEU 7 2HD1 LEU 7 2.535 5.919 -2.149 68 HD13 LEU 7 3HD1 LEU 7 3.256 4.338 -2.447 69 HD21 LEU 7 3HD2 LEU 7 0.440 4.553 -0.497 70 HD22 LEU 7 1HD2 LEU 7 -0.675 3.695 -1.561 71 HD23 LEU 7 2HD2 LEU 7 -0.520 5.448 -1.675 72 H ASN 8 H ASN 8 -2.057 5.286 -5.950 73 HA ASN 8 HA ASN 8 -0.507 6.420 -8.181 74 HB2 ASN 8 2HB ASN 8 -1.767 4.393 -8.904 75 HB3 ASN 8 1HB ASN 8 -3.262 5.186 -8.416 76 HD21 ASN 8 1HD2 ASN 8 -0.446 6.536 -10.068 77 HD22 ASN 8 2HD2 ASN 8 -1.300 7.001 -11.487 78 H LEU 9 H LEU 9 -0.501 8.526 -7.636 79 HA LEU 9 HA LEU 9 -3.086 9.779 -6.988 80 HB2 LEU 9 2HB LEU 9 -1.630 11.653 -6.094 81 HB3 LEU 9 1HB LEU 9 -1.645 10.154 -5.176 82 HG LEU 9 HG LEU 9 0.502 10.238 -7.158 83 HD11 LEU 9 1HD1 LEU 9 0.075 12.695 -6.144 84 HD12 LEU 9 2HD1 LEU 9 1.675 12.064 -6.542 85 HD13 LEU 9 3HD1 LEU 9 1.096 12.012 -4.878 86 HD21 LEU 9 3HD2 LEU 9 1.583 9.024 -5.598 87 HD22 LEU 9 1HD2 LEU 9 -0.037 8.830 -4.922 88 HD23 LEU 9 2HD2 LEU 9 1.052 10.055 -4.269 89 H LYS 10 H LYS 10 -2.904 12.280 -7.573 90 HA LYS 10 HA LYS 10 -2.555 12.335 -10.458 91 HB2 LYS 10 2HB LYS 10 -4.600 13.249 -9.324 92 HB3 LYS 10 1HB LYS 10 -3.593 14.518 -8.647 93 HG2 LYS 10 2HG LYS 10 -3.011 15.206 -10.964 94 HG3 LYS 10 1HG LYS 10 -4.171 14.009 -11.555 95 HD2 LYS 10 2HD LYS 10 -5.952 15.277 -10.991 96 HD3 LYS 10 1HD LYS 10 -5.196 15.856 -9.504 97 HE2 LYS 10 2HE LYS 10 -3.711 17.275 -10.996 98 HE3 LYS 10 1HE LYS 10 -4.816 16.875 -12.309 99 HZ1 LYS 10 3HZ LYS 10 -5.463 18.333 -9.808 100 HZ2 LYS 10 1HZ LYS 10 -6.632 17.786 -10.904 101 HZ3 LYS 10 2HZ LYS 10 -5.491 18.942 -11.384 102 H GLN 11 H GLN 11 -0.110 12.077 -9.598 103 HA GLN 11 HA GLN 11 1.184 14.485 -10.395 104 HB2 GLN 11 2HB GLN 11 0.982 13.844 -7.506 105 HB3 GLN 11 1HB GLN 11 2.571 14.351 -8.086 106 HG2 GLN 11 2HG GLN 11 0.624 16.127 -9.172 107 HG3 GLN 11 1HG GLN 11 0.288 15.951 -7.451 108 HE21 GLN 11 1HE2 GLN 11 1.333 18.229 -8.990 109 HE22 GLN 11 2HE2 GLN 11 2.829 18.647 -8.235 110 H ALA 12 H ALA 12 1.657 11.462 -8.584 111 HA ALA 12 HA ALA 12 3.523 10.508 -10.555 112 HB1 ALA 12 1HB ALA 12 4.737 12.062 -8.791 113 HB2 ALA 12 2HB ALA 12 5.495 10.595 -9.414 114 HB3 ALA 12 3HB ALA 12 4.713 10.581 -7.834 115 H LYS 13 H LYS 13 4.727 8.468 -9.210 116 HA LYS 13 HA LYS 13 2.530 6.969 -7.965 117 HB2 LYS 13 2HB LYS 13 3.553 6.499 -10.528 118 HB3 LYS 13 1HB LYS 13 4.273 5.256 -9.520 119 HG2 LYS 13 2HG LYS 13 2.158 4.426 -8.873 120 HG3 LYS 13 1HG LYS 13 1.326 5.826 -9.550 121 HD2 LYS 13 2HD LYS 13 0.981 4.437 -11.298 122 HD3 LYS 13 1HD LYS 13 2.614 4.936 -11.742 123 HE2 LYS 13 2HE LYS 13 3.564 2.964 -10.906 124 HE3 LYS 13 1HE LYS 13 2.126 2.567 -9.967 125 HZ1 LYS 13 3HZ LYS 13 1.036 2.481 -12.305 126 HZ2 LYS 13 1HZ LYS 13 1.917 1.161 -11.724 127 HZ3 LYS 13 2HZ LYS 13 2.620 2.231 -12.833 128 H GLU 14 H GLU 14 3.080 5.668 -6.283 129 HA GLU 14 HA GLU 14 5.936 5.342 -5.669 130 HB2 GLU 14 2HB GLU 14 3.944 6.835 -4.150 131 HB3 GLU 14 1HB GLU 14 4.718 5.581 -3.180 132 HG2 GLU 14 2HG GLU 14 6.611 7.115 -4.769 133 HG3 GLU 14 1HG GLU 14 5.685 8.111 -3.648 134 H GLU 15 H GLU 15 6.498 3.362 -4.929 135 HA GLU 15 HA GLU 15 4.307 1.453 -4.441 136 HB2 GLU 15 2HB GLU 15 7.030 1.027 -5.671 137 HB3 GLU 15 1HB GLU 15 5.986 -0.295 -5.164 138 HG2 GLU 15 2HG GLU 15 4.460 0.087 -6.842 139 HG3 GLU 15 1HG GLU 15 4.930 1.777 -7.030 140 H ALA 16 H ALA 16 4.201 0.526 -2.518 141 HA ALA 16 HA ALA 16 6.568 0.645 -0.764 142 HB1 ALA 16 1HB ALA 16 4.993 0.684 1.135 143 HB2 ALA 16 2HB ALA 16 3.649 0.744 -0.006 144 HB3 ALA 16 3HB ALA 16 4.801 2.077 0.070 145 H ILE 17 H ILE 17 7.300 -1.236 0.082 146 HA ILE 17 HA ILE 17 5.568 -3.556 0.205 147 HB ILE 17 HB ILE 17 6.866 -5.013 -1.157 148 HG12 ILE 17 2HG1 ILE 17 8.719 -2.787 -1.980 149 HG13 ILE 17 1HG1 ILE 17 9.079 -3.781 -0.571 150 HG21 ILE 17 1HG2 ILE 17 6.511 -2.448 -2.701 151 HG22 ILE 17 2HG2 ILE 17 5.211 -3.568 -2.291 152 HG23 ILE 17 3HG2 ILE 17 6.520 -4.088 -3.351 153 HD11 ILE 17 3HD1 ILE 17 9.367 -5.697 -1.845 154 HD12 ILE 17 1HD1 ILE 17 10.111 -4.426 -2.817 155 HD13 ILE 17 2HD1 ILE 17 8.502 -5.023 -3.227 156 H LYS 18 H LYS 18 6.292 -5.198 1.535 157 HA LYS 18 HA LYS 18 8.872 -5.236 2.719 158 HB2 LYS 18 2HB LYS 18 8.297 -3.369 3.997 159 HB3 LYS 18 1HB LYS 18 6.617 -3.878 4.158 160 HG2 LYS 18 2HG LYS 18 7.034 -5.075 6.010 161 HG3 LYS 18 1HG LYS 18 8.562 -5.699 5.387 162 HD2 LYS 18 2HD LYS 18 9.280 -4.377 7.129 163 HD3 LYS 18 1HD LYS 18 9.384 -3.252 5.774 164 HE2 LYS 18 2HE LYS 18 8.231 -1.900 7.156 165 HE3 LYS 18 1HE LYS 18 6.851 -2.818 6.556 166 HZ1 LYS 18 3HZ LYS 18 8.238 -3.040 9.143 167 HZ2 LYS 18 1HZ LYS 18 7.391 -4.369 8.524 168 HZ3 LYS 18 2HZ LYS 18 6.581 -2.915 8.828 169 H GLU 19 H GLU 19 9.209 -7.101 3.926 170 HA GLU 19 HA GLU 19 7.129 -9.114 3.660 171 HB2 GLU 19 2HB GLU 19 10.054 -9.229 4.360 172 HB3 GLU 19 1HB GLU 19 8.993 -10.624 4.528 173 HG2 GLU 19 2HG GLU 19 8.551 -9.597 1.953 174 HG3 GLU 19 1HG GLU 19 10.287 -9.603 2.195 175 H ALA 20 H ALA 20 5.907 -9.836 5.285 176 HA ALA 20 HA ALA 20 6.793 -9.423 8.046 177 HB1 ALA 20 1HB ALA 20 5.071 -8.112 8.681 178 HB2 ALA 20 2HB ALA 20 3.935 -8.883 7.573 179 HB3 ALA 20 3HB ALA 20 5.063 -7.666 6.975 180 H VAL 21 H VAL 21 5.658 -10.742 9.600 181 HA VAL 21 HA VAL 21 5.287 -13.387 8.725 182 HB VAL 21 HB VAL 21 5.987 -13.052 10.986 183 HG11 VAL 21 1HG1 VAL 21 3.406 -11.986 11.940 184 HG12 VAL 21 2HG1 VAL 21 4.415 -10.874 11.018 185 HG13 VAL 21 3HG1 VAL 21 5.048 -11.635 12.475 186 HG21 VAL 21 3HG2 VAL 21 4.636 -14.597 12.103 187 HG22 VAL 21 1HG2 VAL 21 4.387 -14.965 10.396 188 HG23 VAL 21 2HG2 VAL 21 3.173 -14.050 11.283 189 H ASP 22 H ASP 22 2.901 -10.973 9.802 190 HA ASP 22 HA ASP 22 0.828 -12.580 8.461 191 HB2 ASP 22 2HB ASP 22 -0.775 -11.757 10.094 192 HB3 ASP 22 1HB ASP 22 0.569 -12.532 10.922 193 H ALA 23 H ALA 23 -1.241 -10.748 8.512 194 HA ALA 23 HA ALA 23 -0.289 -8.815 6.550 195 HB1 ALA 23 1HB ALA 23 -3.051 -9.769 7.258 196 HB2 ALA 23 2HB ALA 23 -2.127 -10.126 5.799 197 HB3 ALA 23 3HB ALA 23 -2.722 -8.491 6.087 198 H GLY 24 H GLY 24 -1.844 -8.974 9.695 199 HA2 GLY 24 2HA GLY 24 -2.779 -6.408 10.025 200 HA3 GLY 24 1HA GLY 24 -2.073 -7.360 11.322 201 H THR 25 H THR 25 0.529 -7.496 9.962 202 HA THR 25 HA THR 25 1.597 -5.015 10.969 203 HB THR 25 HB THR 25 3.133 -7.170 9.526 204 HG1 THR 25 1HG THR 25 2.156 -8.306 11.095 205 HG21 THR 25 3HG2 THR 25 3.879 -4.800 10.945 206 HG22 THR 25 1HG2 THR 25 4.888 -5.941 10.056 207 HG23 THR 25 2HG2 THR 25 4.521 -6.228 11.759 208 H ALA 26 H ALA 26 0.858 -6.438 7.878 209 HA ALA 26 HA ALA 26 2.388 -4.533 6.355 210 HB1 ALA 26 1HB ALA 26 1.427 -6.999 5.789 211 HB2 ALA 26 2HB ALA 26 1.923 -5.825 4.570 212 HB3 ALA 26 3HB ALA 26 0.220 -5.986 4.997 213 H GLU 27 H GLU 27 -1.010 -5.021 7.186 214 HA GLU 27 HA GLU 27 -2.037 -2.869 5.671 215 HB2 GLU 27 2HB GLU 27 -3.465 -4.661 6.536 216 HB3 GLU 27 1HB GLU 27 -3.133 -4.154 8.185 217 HG2 GLU 27 2HG GLU 27 -4.655 -2.527 8.121 218 HG3 GLU 27 1HG GLU 27 -4.174 -2.015 6.501 219 H LYS 28 H LYS 28 -1.515 -3.092 9.198 220 HA LYS 28 HA LYS 28 -1.972 -0.415 9.795 221 HB2 LYS 28 2HB LYS 28 -0.523 -2.648 11.117 222 HB3 LYS 28 1HB LYS 28 -0.184 -1.023 11.699 223 HG2 LYS 28 2HG LYS 28 -2.995 -1.251 11.462 224 HG3 LYS 28 1HG LYS 28 -2.410 -2.711 12.266 225 HD2 LYS 28 2HD LYS 28 -2.445 -1.481 14.139 226 HD3 LYS 28 1HD LYS 28 -0.975 -0.735 13.512 227 HE2 LYS 28 2HE LYS 28 -2.669 0.817 12.254 228 HE3 LYS 28 1HE LYS 28 -3.765 0.296 13.528 229 HZ1 LYS 28 3HZ LYS 28 -1.125 1.211 14.350 230 HZ2 LYS 28 1HZ LYS 28 -2.622 1.419 15.106 231 HZ3 LYS 28 2HZ LYS 28 -2.202 2.390 13.788 232 H TYR 29 H TYR 29 0.970 -2.000 8.665 233 HA TYR 29 HA TYR 29 2.610 0.332 9.033 234 HB2 TYR 29 2HB TYR 29 3.654 -1.871 9.078 235 HB3 TYR 29 1HB TYR 29 3.093 -2.201 7.437 236 HD1 TYR 29 1HD TYR 29 4.102 -0.943 5.524 237 HD2 TYR 29 2HD TYR 29 5.620 -0.605 9.486 238 HE1 TYR 29 1HE TYR 29 6.187 0.009 4.638 239 HE2 TYR 29 2HE TYR 29 7.709 0.350 8.609 240 HH TYR 29 HH TYR 29 8.602 0.188 5.403 241 H PHE 30 H PHE 30 0.843 -1.148 6.364 242 HA PHE 30 HA PHE 30 1.806 0.599 4.342 243 HB2 PHE 30 2HB PHE 30 -0.480 -1.319 4.587 244 HB3 PHE 30 1HB PHE 30 -0.528 -0.127 3.288 245 HD1 PHE 30 1HD PHE 30 2.822 -1.009 4.076 246 HD2 PHE 30 2HD PHE 30 -0.627 -2.330 1.960 247 HE1 PHE 30 1HE PHE 30 4.237 -2.469 2.690 248 HE2 PHE 30 2HE PHE 30 0.785 -3.793 0.571 249 HZ PHE 30 HZ PHE 30 3.217 -3.863 0.937 250 H LYS 31 H LYS 31 -1.021 0.603 6.457 251 HA LYS 31 HA LYS 31 -2.271 2.890 5.434 252 HB2 LYS 31 2HB LYS 31 -3.078 1.118 7.176 253 HB3 LYS 31 1HB LYS 31 -2.354 2.206 8.354 254 HG2 LYS 31 2HG LYS 31 -4.043 3.643 6.504 255 HG3 LYS 31 1HG LYS 31 -4.921 2.331 7.292 256 HD2 LYS 31 2HD LYS 31 -3.762 3.283 9.450 257 HD3 LYS 31 1HD LYS 31 -3.644 4.752 8.480 258 HE2 LYS 31 2HE LYS 31 -6.093 4.608 8.072 259 HE3 LYS 31 1HE LYS 31 -6.153 3.229 9.166 260 HZ1 LYS 31 3HZ LYS 31 -4.923 5.003 10.704 261 HZ2 LYS 31 1HZ LYS 31 -6.606 4.838 10.657 262 HZ3 LYS 31 2HZ LYS 31 -5.844 6.057 9.760 263 H LEU 32 H LEU 32 0.194 2.516 7.961 264 HA LEU 32 HA LEU 32 0.261 5.159 8.850 265 HB2 LEU 32 2HB LEU 32 2.373 3.013 8.778 266 HB3 LEU 32 1HB LEU 32 2.644 4.584 9.516 267 HG LEU 32 HG LEU 32 1.510 2.262 10.676 268 HD11 LEU 32 1HD1 LEU 32 1.413 3.772 12.681 269 HD12 LEU 32 2HD1 LEU 32 1.940 5.079 11.619 270 HD13 LEU 32 3HD1 LEU 32 2.977 3.676 11.870 271 HD21 LEU 32 3HD2 LEU 32 -0.444 4.550 10.547 272 HD22 LEU 32 1HD2 LEU 32 -0.577 3.138 11.593 273 HD23 LEU 32 2HD2 LEU 32 -0.671 2.948 9.845 274 H ILE 33 H ILE 33 2.015 3.589 6.184 275 HA ILE 33 HA ILE 33 3.536 5.929 5.557 276 HB ILE 33 HB ILE 33 4.333 3.664 4.988 277 HG12 ILE 33 2HG1 ILE 33 5.056 4.199 2.652 278 HG13 ILE 33 1HG1 ILE 33 3.926 5.549 2.659 279 HG21 ILE 33 1HG2 ILE 33 2.474 2.440 4.339 280 HG22 ILE 33 2HG2 ILE 33 3.337 2.696 2.823 281 HG23 ILE 33 3HG2 ILE 33 1.926 3.678 3.210 282 HD11 ILE 33 3HD1 ILE 33 5.278 6.834 3.901 283 HD12 ILE 33 1HD1 ILE 33 6.529 5.736 3.321 284 HD13 ILE 33 2HD1 ILE 33 5.807 5.486 4.910 285 H ALA 34 H ALA 34 0.454 4.622 4.602 286 HA ALA 34 HA ALA 34 0.029 6.029 2.227 287 HB1 ALA 34 1HB ALA 34 -1.495 4.313 2.722 288 HB2 ALA 34 2HB ALA 34 -2.430 5.802 2.865 289 HB3 ALA 34 3HB ALA 34 -1.856 4.978 4.316 290 H ASN 35 H ASN 35 -1.569 6.865 5.304 291 HA ASN 35 HA ASN 35 -2.089 9.514 4.494 292 HB2 ASN 35 2HB ASN 35 -2.357 9.810 7.114 293 HB3 ASN 35 1HB ASN 35 -3.540 8.934 6.153 294 HD21 ASN 35 1HD2 ASN 35 -0.349 7.783 7.112 295 HD22 ASN 35 2HD2 ASN 35 -0.921 6.497 8.107 296 H ALA 36 H ALA 36 0.830 8.127 5.541 297 HA ALA 36 HA ALA 36 1.891 10.467 6.827 298 HB1 ALA 36 1HB ALA 36 4.080 9.155 6.554 299 HB2 ALA 36 2HB ALA 36 3.056 7.841 5.976 300 HB3 ALA 36 3HB ALA 36 2.832 8.484 7.602 301 H LYS 37 H LYS 37 1.601 9.383 3.565 302 HA LYS 37 HA LYS 37 3.085 11.734 2.699 303 HB2 LYS 37 2HB LYS 37 4.491 10.603 1.155 304 HB3 LYS 37 1HB LYS 37 4.672 9.795 2.703 305 HG2 LYS 37 2HG LYS 37 3.778 7.856 1.953 306 HG3 LYS 37 1HG LYS 37 2.663 8.663 0.849 307 HD2 LYS 37 2HD LYS 37 4.370 7.401 -0.364 308 HD3 LYS 37 1HD LYS 37 4.494 9.131 -0.686 309 HE2 LYS 37 2HE LYS 37 6.696 8.150 -0.345 310 HE3 LYS 37 1HE LYS 37 6.318 9.301 0.935 311 HZ1 LYS 37 3HZ LYS 37 6.378 7.711 2.482 312 HZ2 LYS 37 1HZ LYS 37 7.214 6.795 1.332 313 HZ3 LYS 37 2HZ LYS 37 5.547 6.588 1.528 314 H THR 38 H THR 38 0.958 9.060 1.805 315 HA THR 38 HA THR 38 0.097 10.492 -0.585 316 HB THR 38 HB THR 38 -1.490 8.242 -0.395 317 HG1 THR 38 1HG THR 38 -0.183 6.592 0.288 318 HG21 THR 38 3HG2 THR 38 1.020 8.875 -1.832 319 HG22 THR 38 1HG2 THR 38 -0.580 8.481 -2.459 320 HG23 THR 38 2HG2 THR 38 0.460 7.203 -1.830 321 H VAL 39 H VAL 39 -2.408 10.254 -0.964 322 HA VAL 39 HA VAL 39 -4.150 10.405 1.247 323 HB VAL 39 HB VAL 39 -2.984 12.527 1.666 324 HG11 VAL 39 1HG1 VAL 39 -3.102 14.363 0.125 325 HG12 VAL 39 2HG1 VAL 39 -4.053 13.410 -1.009 326 HG13 VAL 39 3HG1 VAL 39 -2.373 12.981 -0.690 327 HG21 VAL 39 3HG2 VAL 39 -5.236 13.956 1.148 328 HG22 VAL 39 1HG2 VAL 39 -5.015 12.888 2.537 329 HG23 VAL 39 2HG2 VAL 39 -5.843 12.298 1.098 330 H GLU 40 H GLU 40 -6.150 10.047 0.547 331 HA GLU 40 HA GLU 40 -8.034 9.942 -0.871 332 HB2 GLU 40 2HB GLU 40 -6.865 12.315 -1.582 333 HB3 GLU 40 1HB GLU 40 -6.817 11.428 -3.108 334 HG2 GLU 40 2HG GLU 40 -8.841 12.560 -3.187 335 HG3 GLU 40 1HG GLU 40 -9.296 10.948 -2.663 336 H GLY 41 H GLY 41 -8.475 8.133 -1.926 337 HA2 GLY 41 2HA GLY 41 -7.509 7.354 -4.398 338 HA3 GLY 41 1HA GLY 41 -6.436 6.608 -3.216 339 H VAL 42 H VAL 42 -7.715 4.919 -4.792 340 HA VAL 42 HA VAL 42 -10.033 3.951 -3.263 341 HB VAL 42 HB VAL 42 -9.205 3.091 -6.039 342 HG11 VAL 42 1HG1 VAL 42 -11.750 2.461 -5.962 343 HG12 VAL 42 2HG1 VAL 42 -11.472 2.437 -4.220 344 HG13 VAL 42 3HG1 VAL 42 -10.534 1.384 -5.278 345 HG21 VAL 42 3HG2 VAL 42 -10.004 5.569 -5.582 346 HG22 VAL 42 1HG2 VAL 42 -11.597 4.797 -5.567 347 HG23 VAL 42 2HG2 VAL 42 -10.558 4.666 -6.992 348 H TRP 43 H TRP 43 -9.394 2.603 -1.765 349 HA TRP 43 HA TRP 43 -7.045 1.076 -1.802 350 HB2 TRP 43 2HB TRP 43 -9.423 1.464 -0.096 351 HB3 TRP 43 1HB TRP 43 -8.576 -0.049 0.121 352 HD1 TRP 43 HD TRP 43 -7.958 3.751 0.289 353 HE1 TRP 43 1HE TRP 43 -6.043 4.215 1.933 354 HE3 TRP 43 3HE TRP 43 -6.590 -1.084 1.354 355 HZ2 TRP 43 2HZ TRP 43 -4.209 2.774 3.473 356 HZ3 TRP 43 3HZ TRP 43 -4.672 -1.431 2.980 357 HH2 TRP 43 HH TRP 43 -3.557 0.469 3.983 358 H THR 44 H THR 44 -6.730 -0.617 -3.102 359 HA THR 44 HA THR 44 -8.869 -2.617 -3.348 360 HB THR 44 HB THR 44 -8.233 -3.007 -5.688 361 HG1 THR 44 1HG THR 44 -6.181 -2.368 -5.889 362 HG21 THR 44 3HG2 THR 44 -9.793 -1.554 -6.250 363 HG22 THR 44 1HG2 THR 44 -8.595 -0.268 -6.212 364 HG23 THR 44 2HG2 THR 44 -9.520 -0.645 -4.765 365 H TYR 45 H TYR 45 -8.055 -4.797 -3.887 366 HA TYR 45 HA TYR 45 -5.213 -5.200 -3.356 367 HB2 TYR 45 2HB TYR 45 -5.655 -5.633 -1.181 368 HB3 TYR 45 1HB TYR 45 -7.373 -5.914 -1.471 369 HD1 TYR 45 1HD TYR 45 -8.059 -8.185 -2.428 370 HD2 TYR 45 2HD TYR 45 -4.195 -7.418 -0.820 371 HE1 TYR 45 1HE TYR 45 -7.700 -10.601 -2.151 372 HE2 TYR 45 2HE TYR 45 -3.824 -9.833 -0.539 373 HH TYR 45 HH TYR 45 -5.981 -12.007 -0.376 374 H LYS 46 H LYS 46 -4.361 -7.122 -4.128 375 HA LYS 46 HA LYS 46 -6.175 -8.666 -5.863 376 HB2 LYS 46 2HB LYS 46 -3.228 -8.309 -6.361 377 HB3 LYS 46 1HB LYS 46 -4.446 -8.930 -7.468 378 HG2 LYS 46 2HG LYS 46 -5.091 -6.878 -8.111 379 HG3 LYS 46 1HG LYS 46 -4.902 -6.187 -6.506 380 HD2 LYS 46 2HD LYS 46 -3.314 -5.215 -8.086 381 HD3 LYS 46 1HD LYS 46 -2.482 -6.123 -6.822 382 HE2 LYS 46 2HE LYS 46 -1.928 -7.861 -8.258 383 HE3 LYS 46 1HE LYS 46 -3.182 -7.429 -9.412 384 HZ1 LYS 46 3HZ LYS 46 -1.824 -5.304 -9.727 385 HZ2 LYS 46 1HZ LYS 46 -1.227 -6.726 -10.407 386 HZ3 LYS 46 2HZ LYS 46 -0.563 -6.145 -8.979 387 H ASP 47 H ASP 47 -6.213 -10.809 -5.660 388 HA ASP 47 HA ASP 47 -4.707 -12.003 -3.491 389 HB2 ASP 47 2HB ASP 47 -7.253 -12.333 -4.200 390 HB3 ASP 47 1HB ASP 47 -6.547 -13.613 -5.190 391 H GLU 48 H GLU 48 -2.873 -13.011 -3.763 392 HA GLU 48 HA GLU 48 -2.207 -15.039 -5.422 393 HB2 GLU 48 2HB GLU 48 -0.731 -13.803 -7.148 394 HB3 GLU 48 1HB GLU 48 -2.457 -13.916 -7.451 395 HG2 GLU 48 2HG GLU 48 -2.237 -11.559 -6.072 396 HG3 GLU 48 1HG GLU 48 -0.760 -11.590 -7.031 397 H ILE 49 H ILE 49 -0.622 -11.897 -4.849 398 HA ILE 49 HA ILE 49 1.385 -13.313 -3.220 399 HB ILE 49 HB ILE 49 1.974 -10.873 -4.882 400 HG12 ILE 49 2HG1 ILE 49 1.411 -12.683 -6.399 401 HG13 ILE 49 1HG1 ILE 49 3.148 -12.385 -6.438 402 HG21 ILE 49 1HG2 ILE 49 4.331 -12.086 -4.493 403 HG22 ILE 49 2HG2 ILE 49 3.488 -12.576 -3.021 404 HG23 ILE 49 3HG2 ILE 49 3.678 -10.867 -3.406 405 HD11 ILE 49 3HD1 ILE 49 1.793 -14.798 -5.944 406 HD12 ILE 49 1HD1 ILE 49 2.591 -14.329 -4.440 407 HD13 ILE 49 2HD1 ILE 49 3.532 -14.491 -5.923 408 H LYS 50 H LYS 50 -1.174 -11.726 -2.685 409 HA LYS 50 HA LYS 50 -1.961 -10.273 -1.130 410 HB2 LYS 50 2HB LYS 50 0.620 -11.205 -0.044 411 HB3 LYS 50 1HB LYS 50 -0.002 -9.729 0.664 412 HG2 LYS 50 2HG LYS 50 -0.773 -11.516 2.005 413 HG3 LYS 50 1HG LYS 50 -2.155 -10.934 1.076 414 HD2 LYS 50 2HD LYS 50 -2.245 -13.294 0.980 415 HD3 LYS 50 1HD LYS 50 -1.638 -12.767 -0.589 416 HE2 LYS 50 2HE LYS 50 -0.130 -14.415 -0.155 417 HE3 LYS 50 1HE LYS 50 0.692 -13.071 0.638 418 HZ1 LYS 50 3HZ LYS 50 -1.193 -14.724 2.171 419 HZ2 LYS 50 1HZ LYS 50 0.144 -13.850 2.716 420 HZ3 LYS 50 2HZ LYS 50 0.368 -15.301 1.885 421 H THR 51 H THR 51 -2.147 -8.538 -2.638 422 HA THR 51 HA THR 51 -0.236 -6.393 -2.080 423 HB THR 51 HB THR 51 0.598 -7.260 -4.139 424 HG1 THR 51 1HG THR 51 0.357 -5.469 -5.437 425 HG21 THR 51 3HG2 THR 51 -2.229 -7.147 -5.145 426 HG22 THR 51 1HG2 THR 51 -1.211 -8.573 -4.956 427 HG23 THR 51 2HG2 THR 51 -0.813 -7.363 -6.175 428 H PHE 52 H PHE 52 -1.032 -4.344 -2.123 429 HA PHE 52 HA PHE 52 -3.906 -4.045 -2.654 430 HB2 PHE 52 2HB PHE 52 -2.448 -2.505 -0.515 431 HB3 PHE 52 1HB PHE 52 -4.182 -2.673 -0.741 432 HD1 PHE 52 2HD PHE 52 -1.159 -4.724 -0.022 433 HD2 PHE 52 1HD PHE 52 -5.331 -4.185 0.551 434 HE1 PHE 52 2HE PHE 52 -1.177 -6.600 1.570 435 HE2 PHE 52 1HE PHE 52 -5.358 -6.060 2.145 436 HZ PHE 52 HZ PHE 52 -3.283 -7.270 2.657 437 H THR 53 H THR 53 -4.556 -1.802 -3.173 438 HA THR 53 HA THR 53 -2.411 -0.063 -4.065 439 HB THR 53 HB THR 53 -4.525 -1.184 -5.920 440 HG1 THR 53 1HG THR 53 -2.670 -1.860 -7.087 441 HG21 THR 53 3HG2 THR 53 -2.432 0.822 -6.723 442 HG22 THR 53 1HG2 THR 53 -4.091 1.270 -6.315 443 HG23 THR 53 2HG2 THR 53 -3.776 0.193 -7.674 444 H VAL 54 H VAL 54 -3.072 2.098 -4.497 445 HA VAL 54 HA VAL 54 -5.810 2.791 -3.709 446 HB VAL 54 HB VAL 54 -3.901 3.040 -1.847 447 HG11 VAL 54 1HG1 VAL 54 -2.996 5.239 -1.684 448 HG12 VAL 54 2HG1 VAL 54 -3.857 5.764 -3.130 449 HG13 VAL 54 3HG1 VAL 54 -2.550 4.590 -3.261 450 HG21 VAL 54 3HG2 VAL 54 -5.301 4.975 -0.946 451 HG22 VAL 54 1HG2 VAL 54 -6.127 3.455 -1.295 452 HG23 VAL 54 2HG2 VAL 54 -6.250 4.805 -2.422 453 H THR 55 H THR 55 -6.533 3.583 -5.579 454 HA THR 55 HA THR 55 -4.843 5.457 -7.076 455 HB THR 55 HB THR 55 -6.652 5.012 -8.885 456 HG1 THR 55 1HG THR 55 -8.173 3.818 -7.977 457 HG21 THR 55 3HG2 THR 55 -4.335 3.445 -8.121 458 HG22 THR 55 1HG2 THR 55 -4.848 4.027 -9.704 459 HG23 THR 55 2HG2 THR 55 -5.519 2.531 -9.054 460 H GLU 56 H GLU 56 -5.355 7.540 -7.210 461 HA GLU 56 HA GLU 56 -7.850 8.446 -5.988 462 HB2 GLU 56 2HB GLU 56 -5.803 9.498 -5.198 463 HB3 GLU 56 1HB GLU 56 -5.378 9.960 -6.841 464 HG2 GLU 56 2HG GLU 56 -7.526 11.296 -6.867 465 HG3 GLU 56 1HG GLU 56 -7.581 11.032 -5.125 Start of MODEL 19 1 H1 THR 1 1HT THR 1 6.153 -13.423 4.904 2 H2 THR 1 2HT THR 1 5.075 -14.745 5.091 3 H3 THR 1 3HT THR 1 4.732 -13.241 5.844 4 HA THR 1 HA THR 1 4.643 -13.957 3.005 5 HB THR 1 HB THR 1 2.413 -12.572 3.540 6 HG1 THR 1 1HG THR 1 3.017 -12.234 5.728 7 HG21 THR 1 1HG2 THR 1 2.249 -14.777 2.689 8 HG22 THR 1 2HG2 THR 1 1.291 -14.721 4.171 9 HG23 THR 1 3HG2 THR 1 2.886 -15.474 4.182 10 H THR 2 H THR 2 4.880 -12.409 1.478 11 HA THR 2 HA THR 2 5.758 -9.768 2.395 12 HB THR 2 HB THR 2 7.320 -11.022 0.967 13 HG1 THR 2 1HG THR 2 7.796 -9.064 0.440 14 HG21 THR 2 3HG2 THR 2 5.314 -10.729 -1.248 15 HG22 THR 2 1HG2 THR 2 5.605 -12.234 -0.377 16 HG23 THR 2 2HG2 THR 2 6.900 -11.495 -1.321 17 H TYR 3 H TYR 3 4.634 -7.973 1.960 18 HA TYR 3 HA TYR 3 2.311 -8.212 0.165 19 HB2 TYR 3 2HB TYR 3 2.600 -6.628 2.724 20 HB3 TYR 3 1HB TYR 3 1.241 -6.457 1.609 21 HD1 TYR 3 2HD TYR 3 3.043 -9.027 3.626 22 HD2 TYR 3 1HD TYR 3 -0.638 -7.794 1.887 23 HE1 TYR 3 2HE TYR 3 1.894 -10.881 4.747 24 HE2 TYR 3 1HE TYR 3 -1.789 -9.653 3.001 25 HH TYR 3 HH TYR 3 -0.309 -12.254 4.250 26 H LYS 4 H LYS 4 1.774 -6.413 -1.127 27 HA LYS 4 HA LYS 4 3.826 -4.307 -1.280 28 HB2 LYS 4 2HB LYS 4 2.558 -5.655 -3.668 29 HB3 LYS 4 1HB LYS 4 3.807 -4.416 -3.702 30 HG2 LYS 4 2HG LYS 4 5.386 -5.938 -2.674 31 HG3 LYS 4 1HG LYS 4 4.135 -7.176 -2.545 32 HD2 LYS 4 2HD LYS 4 3.948 -6.732 -5.151 33 HD3 LYS 4 1HD LYS 4 5.620 -6.209 -4.932 34 HE2 LYS 4 2HE LYS 4 6.238 -8.337 -4.034 35 HE3 LYS 4 1HE LYS 4 4.556 -8.863 -3.984 36 HZ1 LYS 4 3HZ LYS 4 4.552 -8.606 -6.456 37 HZ2 LYS 4 1HZ LYS 4 5.540 -9.850 -5.875 38 HZ3 LYS 4 2HZ LYS 4 6.228 -8.392 -6.385 39 H LEU 5 H LEU 5 3.152 -2.298 -2.055 40 HA LEU 5 HA LEU 5 0.248 -1.931 -2.269 41 HB2 LEU 5 2HB LEU 5 0.575 -1.195 -0.112 42 HB3 LEU 5 1HB LEU 5 2.202 -0.608 -0.450 43 HG LEU 5 HG LEU 5 1.317 1.354 -1.554 44 HD11 LEU 5 1HD1 LEU 5 -1.481 1.039 -0.906 45 HD12 LEU 5 2HD1 LEU 5 -0.931 -0.216 -2.014 46 HD13 LEU 5 3HD1 LEU 5 -0.720 1.483 -2.433 47 HD21 LEU 5 3HD2 LEU 5 0.500 0.655 1.186 48 HD22 LEU 5 1HD2 LEU 5 -0.325 2.043 0.475 49 HD23 LEU 5 2HD2 LEU 5 1.435 2.028 0.591 50 H ILE 6 H ILE 6 -0.418 -0.629 -3.877 51 HA ILE 6 HA ILE 6 1.647 0.706 -5.483 52 HB ILE 6 HB ILE 6 -1.115 -0.229 -6.242 53 HG12 ILE 6 2HG1 ILE 6 0.219 -1.640 -7.860 54 HG13 ILE 6 1HG1 ILE 6 1.665 -1.136 -6.991 55 HG21 ILE 6 1HG2 ILE 6 -0.929 1.647 -7.563 56 HG22 ILE 6 2HG2 ILE 6 -0.186 0.425 -8.596 57 HG23 ILE 6 3HG2 ILE 6 0.827 1.530 -7.666 58 HD11 ILE 6 3HD1 ILE 6 1.322 -2.630 -5.390 59 HD12 ILE 6 1HD1 ILE 6 0.096 -3.334 -6.444 60 HD13 ILE 6 2HD1 ILE 6 -0.369 -2.165 -5.209 61 H LEU 7 H LEU 7 1.824 2.814 -5.165 62 HA LEU 7 HA LEU 7 -0.527 4.330 -4.276 63 HB2 LEU 7 2HB LEU 7 2.429 4.893 -4.101 64 HB3 LEU 7 1HB LEU 7 1.202 6.089 -3.705 65 HG LEU 7 HG LEU 7 1.353 3.412 -2.330 66 HD11 LEU 7 1HD1 LEU 7 2.296 5.103 -0.480 67 HD12 LEU 7 2HD1 LEU 7 2.964 5.853 -1.931 68 HD13 LEU 7 3HD1 LEU 7 3.335 4.169 -1.558 69 HD21 LEU 7 3HD2 LEU 7 -0.623 5.305 -2.360 70 HD22 LEU 7 1HD2 LEU 7 0.303 5.749 -0.927 71 HD23 LEU 7 2HD2 LEU 7 -0.359 4.122 -1.078 72 H ASN 8 H ASN 8 -1.479 5.754 -5.567 73 HA ASN 8 HA ASN 8 -0.025 6.670 -7.962 74 HB2 ASN 8 2HB ASN 8 -3.018 6.283 -7.830 75 HB3 ASN 8 1HB ASN 8 -2.022 6.560 -9.258 76 HD21 ASN 8 1HD2 ASN 8 0.046 4.765 -8.692 77 HD22 ASN 8 2HD2 ASN 8 -0.578 3.160 -8.813 78 H LEU 9 H LEU 9 0.578 8.676 -7.374 79 HA LEU 9 HA LEU 9 -1.495 10.483 -6.316 80 HB2 LEU 9 2HB LEU 9 1.504 10.764 -6.096 81 HB3 LEU 9 1HB LEU 9 0.300 11.816 -5.361 82 HG LEU 9 HG LEU 9 -0.074 9.043 -4.565 83 HD11 LEU 9 1HD1 LEU 9 2.297 8.811 -4.832 84 HD12 LEU 9 2HD1 LEU 9 1.938 8.955 -3.114 85 HD13 LEU 9 3HD1 LEU 9 2.584 10.331 -3.990 86 HD21 LEU 9 3HD2 LEU 9 0.139 11.735 -3.313 87 HD22 LEU 9 1HD2 LEU 9 0.333 10.303 -2.290 88 HD23 LEU 9 2HD2 LEU 9 -1.153 10.537 -3.211 89 H LYS 10 H LYS 10 -0.740 12.890 -6.830 90 HA LYS 10 HA LYS 10 -0.749 13.053 -9.736 91 HB2 LYS 10 2HB LYS 10 -0.925 15.346 -7.790 92 HB3 LYS 10 1HB LYS 10 -1.448 15.314 -9.470 93 HG2 LYS 10 2HG LYS 10 -3.437 14.437 -8.950 94 HG3 LYS 10 1HG LYS 10 -2.745 13.308 -7.795 95 HD2 LYS 10 2HD LYS 10 -2.740 16.152 -7.007 96 HD3 LYS 10 1HD LYS 10 -4.315 15.368 -7.086 97 HE2 LYS 10 2HE LYS 10 -3.322 13.528 -5.662 98 HE3 LYS 10 1HE LYS 10 -1.926 14.579 -5.430 99 HZ1 LYS 10 3HZ LYS 10 -4.668 14.892 -4.432 100 HZ2 LYS 10 1HZ LYS 10 -3.743 16.275 -4.713 101 HZ3 LYS 10 2HZ LYS 10 -3.198 15.110 -3.623 102 H GLN 11 H GLN 11 1.679 12.150 -8.872 103 HA GLN 11 HA GLN 11 3.484 13.888 -10.096 104 HB2 GLN 11 2HB GLN 11 3.255 15.299 -8.160 105 HB3 GLN 11 1HB GLN 11 3.565 13.944 -7.070 106 HG2 GLN 11 2HG GLN 11 5.878 13.783 -8.072 107 HG3 GLN 11 1HG GLN 11 5.507 15.227 -9.014 108 HE21 GLN 11 1HE2 GLN 11 4.199 16.795 -7.285 109 HE22 GLN 11 2HE2 GLN 11 5.222 17.233 -5.961 110 H ALA 12 H ALA 12 3.859 11.816 -11.040 111 HA ALA 12 HA ALA 12 5.118 9.946 -11.374 112 HB1 ALA 12 1HB ALA 12 6.537 10.654 -8.810 113 HB2 ALA 12 2HB ALA 12 6.925 11.348 -10.384 114 HB3 ALA 12 3HB ALA 12 7.127 9.616 -10.109 115 H LYS 13 H LYS 13 5.088 7.763 -10.834 116 HA LYS 13 HA LYS 13 3.140 7.067 -8.792 117 HB2 LYS 13 2HB LYS 13 3.041 6.113 -11.104 118 HB3 LYS 13 1HB LYS 13 4.540 5.261 -10.770 119 HG2 LYS 13 2HG LYS 13 3.444 4.050 -8.959 120 HG3 LYS 13 1HG LYS 13 1.939 4.907 -9.299 121 HD2 LYS 13 2HD LYS 13 2.199 3.981 -11.687 122 HD3 LYS 13 1HD LYS 13 3.369 2.867 -10.974 123 HE2 LYS 13 2HE LYS 13 1.297 2.630 -9.240 124 HE3 LYS 13 1HE LYS 13 0.437 2.943 -10.747 125 HZ1 LYS 13 3HZ LYS 13 0.693 0.619 -10.573 126 HZ2 LYS 13 1HZ LYS 13 2.333 0.739 -10.169 127 HZ3 LYS 13 2HZ LYS 13 1.818 1.119 -11.734 128 H GLU 14 H GLU 14 3.561 5.958 -6.947 129 HA GLU 14 HA GLU 14 6.355 5.145 -6.475 130 HB2 GLU 14 2HB GLU 14 4.807 7.093 -5.082 131 HB3 GLU 14 1HB GLU 14 5.077 5.732 -3.993 132 HG2 GLU 14 2HG GLU 14 7.483 5.899 -4.393 133 HG3 GLU 14 1HG GLU 14 7.207 7.262 -5.469 134 H GLU 15 H GLU 15 6.707 3.255 -5.333 135 HA GLU 15 HA GLU 15 4.310 1.647 -4.747 136 HB2 GLU 15 2HB GLU 15 6.907 0.735 -5.990 137 HB3 GLU 15 1HB GLU 15 5.643 -0.354 -5.432 138 HG2 GLU 15 2HG GLU 15 4.202 0.230 -7.132 139 HG3 GLU 15 1HG GLU 15 4.984 1.786 -7.403 140 H ALA 16 H ALA 16 4.170 0.932 -2.744 141 HA ALA 16 HA ALA 16 6.600 0.926 -1.077 142 HB1 ALA 16 1HB ALA 16 5.195 1.284 0.836 143 HB2 ALA 16 2HB ALA 16 3.738 1.070 -0.133 144 HB3 ALA 16 3HB ALA 16 4.769 2.477 -0.391 145 H ILE 17 H ILE 17 7.176 -0.916 0.008 146 HA ILE 17 HA ILE 17 5.344 -3.156 0.129 147 HB ILE 17 HB ILE 17 6.677 -4.736 -1.061 148 HG12 ILE 17 2HG1 ILE 17 8.638 -2.620 -1.910 149 HG13 ILE 17 1HG1 ILE 17 8.886 -3.511 -0.413 150 HG21 ILE 17 1HG2 ILE 17 6.491 -3.925 -3.321 151 HG22 ILE 17 2HG2 ILE 17 6.482 -2.253 -2.760 152 HG23 ILE 17 3HG2 ILE 17 5.133 -3.322 -2.371 153 HD11 ILE 17 3HD1 ILE 17 10.071 -4.382 -2.456 154 HD12 ILE 17 1HD1 ILE 17 8.486 -4.871 -3.055 155 HD13 ILE 17 2HD1 ILE 17 9.110 -5.553 -1.554 156 H LYS 18 H LYS 18 6.210 -4.998 1.333 157 HA LYS 18 HA LYS 18 8.610 -4.749 2.832 158 HB2 LYS 18 2HB LYS 18 7.775 -4.179 4.975 159 HB3 LYS 18 1HB LYS 18 7.095 -2.999 3.853 160 HG2 LYS 18 2HG LYS 18 5.016 -3.564 4.375 161 HG3 LYS 18 1HG LYS 18 5.348 -5.284 4.178 162 HD2 LYS 18 2HD LYS 18 6.209 -3.749 6.617 163 HD3 LYS 18 1HD LYS 18 4.616 -4.499 6.489 164 HE2 LYS 18 2HE LYS 18 5.577 -6.344 7.293 165 HE3 LYS 18 1HE LYS 18 6.330 -6.513 5.708 166 HZ1 LYS 18 3HZ LYS 18 7.675 -4.762 7.607 167 HZ2 LYS 18 1HZ LYS 18 8.326 -5.851 6.486 168 HZ3 LYS 18 2HZ LYS 18 7.713 -6.416 7.958 169 H GLU 19 H GLU 19 8.735 -6.453 4.570 170 HA GLU 19 HA GLU 19 6.970 -8.727 3.953 171 HB2 GLU 19 2HB GLU 19 9.651 -8.559 3.269 172 HB3 GLU 19 1HB GLU 19 9.656 -9.505 4.748 173 HG2 GLU 19 2HG GLU 19 7.585 -10.564 3.225 174 HG3 GLU 19 1HG GLU 19 8.888 -10.261 2.082 175 H ALA 20 H ALA 20 6.075 -9.673 5.664 176 HA ALA 20 HA ALA 20 7.355 -9.429 8.287 177 HB1 ALA 20 1HB ALA 20 4.832 -9.084 9.078 178 HB2 ALA 20 2HB ALA 20 4.731 -8.312 7.502 179 HB3 ALA 20 3HB ALA 20 5.899 -7.741 8.693 180 H VAL 21 H VAL 21 5.851 -10.723 9.931 181 HA VAL 21 HA VAL 21 5.648 -13.394 8.781 182 HB VAL 21 HB VAL 21 5.349 -14.106 11.188 183 HG11 VAL 21 1HG1 VAL 21 7.838 -12.614 10.379 184 HG12 VAL 21 2HG1 VAL 21 7.481 -14.316 10.131 185 HG13 VAL 21 3HG1 VAL 21 7.731 -13.697 11.762 186 HG21 VAL 21 3HG2 VAL 21 4.671 -11.605 11.737 187 HG22 VAL 21 1HG2 VAL 21 6.406 -11.446 12.011 188 HG23 VAL 21 2HG2 VAL 21 5.476 -12.631 12.931 189 H ASP 22 H ASP 22 3.563 -11.181 8.457 190 HA ASP 22 HA ASP 22 1.288 -12.851 8.567 191 HB2 ASP 22 2HB ASP 22 1.886 -11.469 10.994 192 HB3 ASP 22 1HB ASP 22 0.439 -10.748 10.297 193 H ALA 23 H ALA 23 -0.743 -10.960 8.705 194 HA ALA 23 HA ALA 23 -0.084 -9.264 6.392 195 HB1 ALA 23 1HB ALA 23 -1.942 -11.120 6.376 196 HB2 ALA 23 2HB ALA 23 -2.176 -9.587 5.545 197 HB3 ALA 23 3HB ALA 23 -2.899 -9.852 7.130 198 H GLY 24 H GLY 24 -1.785 -9.305 9.502 199 HA2 GLY 24 2HA GLY 24 -2.856 -6.770 9.552 200 HA3 GLY 24 1HA GLY 24 -2.213 -7.583 10.972 201 H THR 25 H THR 25 0.480 -7.706 9.793 202 HA THR 25 HA THR 25 1.424 -5.177 10.743 203 HB THR 25 HB THR 25 3.264 -6.976 9.263 204 HG1 THR 25 1HG THR 25 2.944 -8.665 10.465 205 HG21 THR 25 3HG2 THR 25 4.392 -6.740 11.626 206 HG22 THR 25 1HG2 THR 25 3.331 -5.336 11.732 207 HG23 THR 25 2HG2 THR 25 4.501 -5.460 10.418 208 H ALA 26 H ALA 26 0.807 -6.635 7.627 209 HA ALA 26 HA ALA 26 2.289 -4.706 6.112 210 HB1 ALA 26 1HB ALA 26 1.686 -7.039 5.352 211 HB2 ALA 26 2HB ALA 26 1.390 -5.751 4.183 212 HB3 ALA 26 3HB ALA 26 0.046 -6.440 5.096 213 H GLU 27 H GLU 27 -1.029 -5.068 7.174 214 HA GLU 27 HA GLU 27 -2.119 -2.939 5.641 215 HB2 GLU 27 2HB GLU 27 -3.777 -4.345 6.397 216 HB3 GLU 27 1HB GLU 27 -3.001 -4.607 7.950 217 HG2 GLU 27 2HG GLU 27 -3.862 -2.654 8.858 218 HG3 GLU 27 1HG GLU 27 -4.206 -1.957 7.273 219 H LYS 28 H LYS 28 -1.891 -3.025 9.181 220 HA LYS 28 HA LYS 28 -2.093 -0.345 9.686 221 HB2 LYS 28 2HB LYS 28 -1.164 -0.741 11.837 222 HB3 LYS 28 1HB LYS 28 -2.023 -2.204 11.379 223 HG2 LYS 28 2HG LYS 28 -0.195 -3.389 11.757 224 HG3 LYS 28 1HG LYS 28 0.650 -2.489 10.501 225 HD2 LYS 28 2HD LYS 28 1.989 -1.720 12.108 226 HD3 LYS 28 1HD LYS 28 0.620 -0.762 12.674 227 HE2 LYS 28 2HE LYS 28 0.602 -3.551 13.573 228 HE3 LYS 28 1HE LYS 28 1.970 -2.611 14.161 229 HZ1 LYS 28 3HZ LYS 28 -0.714 -1.451 14.343 230 HZ2 LYS 28 1HZ LYS 28 0.628 -1.215 15.344 231 HZ3 LYS 28 2HZ LYS 28 -0.267 -2.643 15.459 232 H TYR 29 H TYR 29 0.732 -2.045 8.522 233 HA TYR 29 HA TYR 29 2.517 0.174 9.004 234 HB2 TYR 29 2HB TYR 29 3.398 -2.124 8.981 235 HB3 TYR 29 1HB TYR 29 2.907 -2.299 7.293 236 HD1 TYR 29 1HD TYR 29 3.944 -0.562 5.635 237 HD2 TYR 29 2HD TYR 29 5.546 -1.431 9.478 238 HE1 TYR 29 1HE TYR 29 6.124 0.317 4.916 239 HE2 TYR 29 2HE TYR 29 7.731 -0.552 8.772 240 HH TYR 29 HH TYR 29 8.243 1.386 6.358 241 H PHE 30 H PHE 30 0.887 -1.245 6.195 242 HA PHE 30 HA PHE 30 1.900 0.568 4.284 243 HB2 PHE 30 2HB PHE 30 -0.449 -1.299 4.387 244 HB3 PHE 30 1HB PHE 30 -0.357 -0.106 3.089 245 HD1 PHE 30 2HD PHE 30 2.907 -1.056 4.058 246 HD2 PHE 30 1HD PHE 30 -0.460 -2.371 1.808 247 HE1 PHE 30 2HE PHE 30 4.361 -2.570 2.775 248 HE2 PHE 30 1HE PHE 30 0.994 -3.891 0.523 249 HZ PHE 30 HZ PHE 30 3.403 -3.989 1.007 250 H LYS 31 H LYS 31 -0.953 0.563 6.351 251 HA LYS 31 HA LYS 31 -2.179 2.864 5.339 252 HB2 LYS 31 2HB LYS 31 -2.966 1.083 7.115 253 HB3 LYS 31 1HB LYS 31 -2.289 2.234 8.260 254 HG2 LYS 31 2HG LYS 31 -3.906 3.686 6.446 255 HG3 LYS 31 1HG LYS 31 -4.825 2.272 6.972 256 HD2 LYS 31 2HD LYS 31 -3.771 3.100 9.327 257 HD3 LYS 31 1HD LYS 31 -3.956 4.642 8.488 258 HE2 LYS 31 2HE LYS 31 -5.939 4.078 9.815 259 HE3 LYS 31 1HE LYS 31 -6.308 4.166 8.094 260 HZ1 LYS 31 3HZ LYS 31 -5.575 1.545 9.109 261 HZ2 LYS 31 1HZ LYS 31 -6.760 1.980 7.986 262 HZ3 LYS 31 2HZ LYS 31 -7.054 2.151 9.643 263 H LEU 32 H LEU 32 0.326 2.464 7.812 264 HA LEU 32 HA LEU 32 0.390 5.105 8.722 265 HB2 LEU 32 2HB LEU 32 2.502 2.963 8.597 266 HB3 LEU 32 1HB LEU 32 2.799 4.537 9.319 267 HG LEU 32 HG LEU 32 1.684 2.223 10.519 268 HD11 LEU 32 1HD1 LEU 32 2.154 5.040 11.452 269 HD12 LEU 32 2HD1 LEU 32 3.210 3.641 11.649 270 HD13 LEU 32 3HD1 LEU 32 1.681 3.723 12.526 271 HD21 LEU 32 3HD2 LEU 32 -0.367 3.107 11.495 272 HD22 LEU 32 1HD2 LEU 32 -0.515 2.952 9.746 273 HD23 LEU 32 2HD2 LEU 32 -0.254 4.536 10.473 274 H ILE 33 H ILE 33 2.060 3.553 6.002 275 HA ILE 33 HA ILE 33 3.523 5.931 5.330 276 HB ILE 33 HB ILE 33 4.398 3.683 4.796 277 HG12 ILE 33 2HG1 ILE 33 4.907 4.213 2.321 278 HG13 ILE 33 1HG1 ILE 33 3.933 5.658 2.572 279 HG21 ILE 33 1HG2 ILE 33 1.983 3.583 3.027 280 HG22 ILE 33 2HG2 ILE 33 2.555 2.396 4.198 281 HG23 ILE 33 3HG2 ILE 33 3.419 2.621 2.678 282 HD11 ILE 33 3HD1 ILE 33 6.437 5.900 2.826 283 HD12 ILE 33 1HD1 ILE 33 6.271 4.982 4.322 284 HD13 ILE 33 2HD1 ILE 33 5.444 6.529 4.140 285 H ALA 34 H ALA 34 0.479 4.496 4.453 286 HA ALA 34 HA ALA 34 0.063 6.149 2.138 287 HB1 ALA 34 1HB ALA 34 -1.759 4.877 1.747 288 HB2 ALA 34 2HB ALA 34 -2.278 4.914 3.432 289 HB3 ALA 34 3HB ALA 34 -1.005 3.803 2.924 290 H ASN 35 H ASN 35 -1.739 5.920 5.214 291 HA ASN 35 HA ASN 35 -3.151 8.286 4.961 292 HB2 ASN 35 2HB ASN 35 -2.639 6.361 7.036 293 HB3 ASN 35 1HB ASN 35 -2.576 7.985 7.715 294 HD21 ASN 35 1HD2 ASN 35 -4.541 6.911 4.987 295 HD22 ASN 35 2HD2 ASN 35 -6.071 7.173 5.759 296 H ALA 36 H ALA 36 0.186 7.826 5.796 297 HA ALA 36 HA ALA 36 0.488 10.478 6.907 298 HB1 ALA 36 1HB ALA 36 1.821 8.621 7.771 299 HB2 ALA 36 2HB ALA 36 2.843 9.905 7.127 300 HB3 ALA 36 3HB ALA 36 2.585 8.433 6.192 301 H LYS 37 H LYS 37 2.189 8.863 4.214 302 HA LYS 37 HA LYS 37 2.979 11.326 3.054 303 HB2 LYS 37 2HB LYS 37 4.140 10.081 1.492 304 HB3 LYS 37 1HB LYS 37 4.055 8.972 2.849 305 HG2 LYS 37 2HG LYS 37 3.241 7.454 1.456 306 HG3 LYS 37 1HG LYS 37 1.775 8.428 1.328 307 HD2 LYS 37 2HD LYS 37 2.645 7.954 -0.881 308 HD3 LYS 37 1HD LYS 37 2.804 9.678 -0.534 309 HE2 LYS 37 2HE LYS 37 4.802 8.617 -1.623 310 HE3 LYS 37 1HE LYS 37 5.131 9.464 -0.113 311 HZ1 LYS 37 3HZ LYS 37 4.522 6.628 0.108 312 HZ2 LYS 37 1HZ LYS 37 5.659 7.561 0.946 313 HZ3 LYS 37 2HZ LYS 37 6.000 7.015 -0.619 314 H THR 38 H THR 38 0.210 9.254 2.563 315 HA THR 38 HA THR 38 -0.713 11.093 0.448 316 HB THR 38 HB THR 38 -1.915 9.316 -0.585 317 HG1 THR 38 1HG THR 38 -1.994 7.241 0.355 318 HG21 THR 38 3HG2 THR 38 0.766 9.267 -0.566 319 HG22 THR 38 1HG2 THR 38 -0.231 8.136 -1.482 320 HG23 THR 38 2HG2 THR 38 0.421 7.666 0.089 321 H VAL 39 H VAL 39 -3.243 10.883 0.258 322 HA VAL 39 HA VAL 39 -4.688 10.455 2.674 323 HB VAL 39 HB VAL 39 -3.564 12.583 3.250 324 HG11 VAL 39 1HG1 VAL 39 -3.365 13.503 1.005 325 HG12 VAL 39 2HG1 VAL 39 -4.174 14.639 2.085 326 HG13 VAL 39 3HG1 VAL 39 -5.114 13.702 0.922 327 HG21 VAL 39 3HG2 VAL 39 -6.055 11.884 3.808 328 HG22 VAL 39 1HG2 VAL 39 -6.412 13.333 2.881 329 HG23 VAL 39 2HG2 VAL 39 -5.389 13.438 4.313 330 H GLU 40 H GLU 40 -4.827 9.756 -0.141 331 HA GLU 40 HA GLU 40 -7.582 9.996 -0.562 332 HB2 GLU 40 2HB GLU 40 -6.800 12.357 -1.094 333 HB3 GLU 40 1HB GLU 40 -6.009 11.664 -2.506 334 HG2 GLU 40 2HG GLU 40 -7.903 11.584 -3.651 335 HG3 GLU 40 1HG GLU 40 -8.765 10.836 -2.316 336 H GLY 41 H GLY 41 -8.122 8.244 -1.700 337 HA2 GLY 41 2HA GLY 41 -7.129 7.470 -4.158 338 HA3 GLY 41 1HA GLY 41 -6.113 6.659 -2.972 339 H VAL 42 H VAL 42 -7.502 5.124 -4.681 340 HA VAL 42 HA VAL 42 -9.876 4.199 -3.228 341 HB VAL 42 HB VAL 42 -8.992 3.151 -5.909 342 HG11 VAL 42 1HG1 VAL 42 -10.897 2.256 -4.247 343 HG12 VAL 42 2HG1 VAL 42 -11.007 2.132 -6.001 344 HG13 VAL 42 3HG1 VAL 42 -11.830 3.441 -5.159 345 HG21 VAL 42 3HG2 VAL 42 -10.972 4.885 -6.553 346 HG22 VAL 42 1HG2 VAL 42 -9.251 5.251 -6.687 347 HG23 VAL 42 2HG2 VAL 42 -10.151 5.778 -5.270 348 H TRP 43 H TRP 43 -9.364 2.830 -1.702 349 HA TRP 43 HA TRP 43 -7.074 1.202 -1.644 350 HB2 TRP 43 2HB TRP 43 -9.487 1.717 -0.021 351 HB3 TRP 43 1HB TRP 43 -8.722 0.167 0.230 352 HD1 TRP 43 HD TRP 43 -7.907 3.931 0.387 353 HE1 TRP 43 1HE TRP 43 -6.057 4.312 2.118 354 HE3 TRP 43 3HE TRP 43 -6.855 -0.958 1.577 355 HZ2 TRP 43 2HZ TRP 43 -4.379 2.802 3.759 356 HZ3 TRP 43 3HZ TRP 43 -5.041 -1.382 3.302 357 HH2 TRP 43 HH TRP 43 -3.874 0.477 4.333 358 H THR 44 H THR 44 -6.750 -0.763 -2.465 359 HA THR 44 HA THR 44 -8.930 -2.635 -2.787 360 HB THR 44 HB THR 44 -8.876 -1.276 -4.915 361 HG1 THR 44 1HG THR 44 -9.572 -3.535 -4.722 362 HG21 THR 44 3HG2 THR 44 -6.692 -0.834 -5.499 363 HG22 THR 44 1HG2 THR 44 -7.098 -2.187 -6.554 364 HG23 THR 44 2HG2 THR 44 -6.140 -2.460 -5.099 365 H TYR 45 H TYR 45 -8.180 -4.823 -3.183 366 HA TYR 45 HA TYR 45 -5.295 -5.226 -2.951 367 HB2 TYR 45 2HB TYR 45 -5.700 -5.305 -0.668 368 HB3 TYR 45 1HB TYR 45 -7.311 -6.012 -0.859 369 HD1 TYR 45 2HD TYR 45 -7.449 -8.457 -1.580 370 HD2 TYR 45 1HD TYR 45 -3.848 -6.651 -0.216 371 HE1 TYR 45 2HE TYR 45 -6.522 -10.683 -1.104 372 HE2 TYR 45 1HE TYR 45 -2.910 -8.872 0.264 373 HH TYR 45 HH TYR 45 -4.625 -11.562 0.589 374 H LYS 46 H LYS 46 -4.546 -7.222 -3.632 375 HA LYS 46 HA LYS 46 -6.534 -8.915 -4.994 376 HB2 LYS 46 2HB LYS 46 -3.693 -8.576 -5.919 377 HB3 LYS 46 1HB LYS 46 -5.050 -9.264 -6.805 378 HG2 LYS 46 2HG LYS 46 -5.706 -6.591 -6.099 379 HG3 LYS 46 1HG LYS 46 -4.102 -6.597 -6.812 380 HD2 LYS 46 2HD LYS 46 -6.557 -7.853 -8.036 381 HD3 LYS 46 1HD LYS 46 -5.871 -6.293 -8.492 382 HE2 LYS 46 2HE LYS 46 -3.983 -8.544 -8.495 383 HE3 LYS 46 1HE LYS 46 -5.273 -8.651 -9.697 384 HZ1 LYS 46 3HZ LYS 46 -3.391 -6.379 -9.360 385 HZ2 LYS 46 1HZ LYS 46 -4.660 -6.434 -10.472 386 HZ3 LYS 46 2HZ LYS 46 -3.368 -7.522 -10.606 387 H ASP 47 H ASP 47 -6.402 -11.083 -4.708 388 HA ASP 47 HA ASP 47 -4.621 -12.013 -2.614 389 HB2 ASP 47 2HB ASP 47 -7.210 -12.552 -3.060 390 HB3 ASP 47 1HB ASP 47 -6.491 -13.880 -3.982 391 H GLU 48 H GLU 48 -3.654 -14.220 -2.869 392 HA GLU 48 HA GLU 48 -2.469 -15.862 -4.112 393 HB2 GLU 48 2HB GLU 48 -3.958 -15.073 -6.110 394 HB3 GLU 48 1HB GLU 48 -2.536 -14.166 -6.579 395 HG2 GLU 48 2HG GLU 48 -2.702 -16.348 -7.689 396 HG3 GLU 48 1HG GLU 48 -1.237 -16.172 -6.728 397 H ILE 49 H ILE 49 -1.883 -12.422 -4.438 398 HA ILE 49 HA ILE 49 1.004 -12.949 -4.217 399 HB ILE 49 HB ILE 49 -0.147 -10.482 -5.481 400 HG12 ILE 49 2HG1 ILE 49 0.884 -12.909 -6.953 401 HG13 ILE 49 1HG1 ILE 49 -0.828 -12.571 -6.704 402 HG21 ILE 49 1HG2 ILE 49 2.373 -11.034 -4.582 403 HG22 ILE 49 2HG2 ILE 49 1.969 -9.840 -5.814 404 HG23 ILE 49 3HG2 ILE 49 2.483 -11.445 -6.285 405 HD11 ILE 49 3HD1 ILE 49 -0.433 -11.755 -8.822 406 HD12 ILE 49 1HD1 ILE 49 1.158 -11.128 -8.404 407 HD13 ILE 49 2HD1 ILE 49 -0.296 -10.310 -7.829 408 H LYS 50 H LYS 50 -1.746 -11.459 -2.859 409 HA LYS 50 HA LYS 50 -2.079 -10.193 -1.010 410 HB2 LYS 50 2HB LYS 50 0.703 -11.207 -0.503 411 HB3 LYS 50 1HB LYS 50 -0.074 -10.105 0.621 412 HG2 LYS 50 2HG LYS 50 -0.692 -12.055 1.581 413 HG3 LYS 50 1HG LYS 50 -2.018 -11.894 0.432 414 HD2 LYS 50 2HD LYS 50 -0.123 -13.158 -1.068 415 HD3 LYS 50 1HD LYS 50 0.155 -13.844 0.534 416 HE2 LYS 50 2HE LYS 50 -2.635 -13.653 -0.457 417 HE3 LYS 50 1HE LYS 50 -1.599 -14.896 -1.145 418 HZ1 LYS 50 3HZ LYS 50 -2.667 -14.664 1.553 419 HZ2 LYS 50 1HZ LYS 50 -1.108 -15.281 1.414 420 HZ3 LYS 50 2HZ LYS 50 -2.385 -16.040 0.616 421 H THR 51 H THR 51 -2.273 -8.330 -2.418 422 HA THR 51 HA THR 51 -0.326 -6.302 -1.715 423 HB THR 51 HB THR 51 0.098 -5.582 -3.993 424 HG1 THR 51 1HG THR 51 -0.671 -6.874 -5.727 425 HG21 THR 51 3HG2 THR 51 1.465 -7.344 -4.820 426 HG22 THR 51 1HG2 THR 51 0.568 -8.548 -3.893 427 HG23 THR 51 2HG2 THR 51 1.567 -7.357 -3.060 428 H PHE 52 H PHE 52 -1.127 -4.269 -1.647 429 HA PHE 52 HA PHE 52 -3.965 -3.954 -2.351 430 HB2 PHE 52 2HB PHE 52 -2.637 -2.198 -0.324 431 HB3 PHE 52 1HB PHE 52 -4.326 -2.654 -0.459 432 HD1 PHE 52 2HD PHE 52 -0.983 -4.090 0.314 433 HD2 PHE 52 1HD PHE 52 -5.187 -4.279 0.942 434 HE1 PHE 52 2HE PHE 52 -0.644 -5.815 2.033 435 HE2 PHE 52 1HE PHE 52 -4.851 -6.004 2.663 436 HZ PHE 52 HZ PHE 52 -2.577 -6.776 3.210 437 H THR 53 H THR 53 -4.596 -1.665 -2.864 438 HA THR 53 HA THR 53 -2.428 -0.024 -3.871 439 HB THR 53 HB THR 53 -4.625 -1.115 -5.635 440 HG1 THR 53 1HG THR 53 -2.836 -2.462 -5.447 441 HG21 THR 53 3HG2 THR 53 -4.165 1.315 -6.090 442 HG22 THR 53 1HG2 THR 53 -3.900 0.211 -7.439 443 HG23 THR 53 2HG2 THR 53 -2.522 0.836 -6.531 444 H VAL 54 H VAL 54 -2.994 2.140 -4.273 445 HA VAL 54 HA VAL 54 -5.687 2.968 -3.474 446 HB VAL 54 HB VAL 54 -3.818 3.116 -1.595 447 HG11 VAL 54 1HG1 VAL 54 -2.671 5.177 -1.445 448 HG12 VAL 54 2HG1 VAL 54 -3.505 5.831 -2.853 449 HG13 VAL 54 3HG1 VAL 54 -2.324 4.536 -3.049 450 HG21 VAL 54 3HG2 VAL 54 -6.142 4.796 -2.262 451 HG22 VAL 54 1HG2 VAL 54 -5.084 5.411 -0.995 452 HG23 VAL 54 2HG2 VAL 54 -5.816 3.817 -0.836 453 H THR 55 H THR 55 -6.346 3.716 -5.398 454 HA THR 55 HA THR 55 -4.570 5.417 -6.971 455 HB THR 55 HB THR 55 -7.312 4.376 -7.676 456 HG1 THR 55 1HG THR 55 -6.358 2.566 -8.043 457 HG21 THR 55 3HG2 THR 55 -5.275 5.913 -9.169 458 HG22 THR 55 1HG2 THR 55 -7.028 5.968 -9.265 459 HG23 THR 55 2HG2 THR 55 -6.151 4.646 -10.023 460 H GLU 56 H GLU 56 -4.624 7.540 -6.726 461 HA GLU 56 HA GLU 56 -6.705 8.868 -5.288 462 HB2 GLU 56 2HB GLU 56 -5.314 10.695 -5.282 463 HB3 GLU 56 1HB GLU 56 -4.122 9.452 -5.623 464 HG2 GLU 56 2HG GLU 56 -5.461 11.213 -7.665 465 HG3 GLU 56 1HG GLU 56 -3.827 11.412 -7.031 Start of MODEL 20 1 H1 THR 1 1HT THR 1 2.771 -12.789 5.280 2 H2 THR 1 2HT THR 1 4.346 -13.278 5.760 3 H3 THR 1 3HT THR 1 3.172 -14.455 5.329 4 HA THR 1 HA THR 1 4.831 -14.077 3.620 5 HB THR 1 HB THR 1 3.080 -13.672 1.815 6 HG1 THR 1 1HG THR 1 1.354 -13.530 4.057 7 HG21 THR 1 1HG2 THR 1 3.535 -15.924 2.750 8 HG22 THR 1 2HG2 THR 1 1.879 -15.696 2.184 9 HG23 THR 1 3HG2 THR 1 2.233 -15.653 3.911 10 H THR 2 H THR 2 4.791 -12.591 1.491 11 HA THR 2 HA THR 2 5.510 -9.929 2.457 12 HB THR 2 HB THR 2 5.961 -10.690 -0.377 13 HG1 THR 2 1HG THR 2 6.989 -12.432 0.107 14 HG21 THR 2 3HG2 THR 2 8.341 -9.890 0.562 15 HG22 THR 2 1HG2 THR 2 7.267 -9.036 1.670 16 HG23 THR 2 2HG2 THR 2 7.114 -8.792 -0.070 17 H TYR 3 H TYR 3 4.372 -8.150 2.009 18 HA TYR 3 HA TYR 3 2.219 -8.355 0.007 19 HB2 TYR 3 2HB TYR 3 2.202 -6.802 2.605 20 HB3 TYR 3 1HB TYR 3 0.912 -6.787 1.400 21 HD1 TYR 3 1HD TYR 3 2.822 -9.124 3.594 22 HD2 TYR 3 2HD TYR 3 -0.833 -8.313 1.572 23 HE1 TYR 3 1HE TYR 3 1.794 -11.078 4.679 24 HE2 TYR 3 2HE TYR 3 -1.870 -10.262 2.654 25 HH TYR 3 HH TYR 3 -0.969 -12.502 3.663 26 H LYS 4 H LYS 4 1.814 -6.562 -1.295 27 HA LYS 4 HA LYS 4 3.815 -4.402 -1.147 28 HB2 LYS 4 2HB LYS 4 2.741 -5.698 -3.658 29 HB3 LYS 4 1HB LYS 4 3.877 -4.356 -3.600 30 HG2 LYS 4 2HG LYS 4 5.625 -5.694 -3.223 31 HG3 LYS 4 1HG LYS 4 4.734 -6.695 -2.075 32 HD2 LYS 4 2HD LYS 4 3.550 -7.690 -4.089 33 HD3 LYS 4 1HD LYS 4 4.769 -6.886 -5.079 34 HE2 LYS 4 2HE LYS 4 5.367 -9.216 -4.622 35 HE3 LYS 4 1HE LYS 4 6.532 -8.095 -3.922 36 HZ1 LYS 4 3HZ LYS 4 5.482 -10.109 -2.572 37 HZ2 LYS 4 1HZ LYS 4 4.335 -8.922 -2.202 38 HZ3 LYS 4 2HZ LYS 4 5.965 -8.669 -1.830 39 H LEU 5 H LEU 5 3.173 -2.353 -1.809 40 HA LEU 5 HA LEU 5 0.280 -1.995 -2.172 41 HB2 LEU 5 2HB LEU 5 0.475 -1.303 0.004 42 HB3 LEU 5 1HB LEU 5 2.140 -0.765 -0.209 43 HG LEU 5 HG LEU 5 1.416 1.273 -1.262 44 HD11 LEU 5 1HD1 LEU 5 -0.984 -0.236 -1.769 45 HD12 LEU 5 2HD1 LEU 5 -0.419 1.261 -2.511 46 HD13 LEU 5 3HD1 LEU 5 -1.364 1.318 -1.024 47 HD21 LEU 5 3HD2 LEU 5 -0.558 1.649 0.714 48 HD22 LEU 5 1HD2 LEU 5 1.147 2.092 0.782 49 HD23 LEU 5 2HD2 LEU 5 0.622 0.518 1.377 50 H ILE 6 H ILE 6 -0.313 -0.702 -3.804 51 HA ILE 6 HA ILE 6 1.796 0.835 -5.168 52 HB ILE 6 HB ILE 6 -0.701 -0.427 -6.298 53 HG12 ILE 6 2HG1 ILE 6 1.083 -1.535 -7.776 54 HG13 ILE 6 1HG1 ILE 6 2.249 -0.961 -6.588 55 HG21 ILE 6 1HG2 ILE 6 1.239 1.506 -7.530 56 HG22 ILE 6 2HG2 ILE 6 -0.521 1.603 -7.467 57 HG23 ILE 6 3HG2 ILE 6 0.260 0.410 -8.505 58 HD11 ILE 6 3HD1 ILE 6 1.452 -3.332 -6.325 59 HD12 ILE 6 1HD1 ILE 6 -0.107 -2.663 -5.850 60 HD13 ILE 6 2HD1 ILE 6 1.331 -2.310 -4.893 61 H LEU 7 H LEU 7 1.660 2.901 -4.563 62 HA LEU 7 HA LEU 7 -0.970 4.103 -4.112 63 HB2 LEU 7 2HB LEU 7 1.692 5.420 -3.629 64 HB3 LEU 7 1HB LEU 7 0.128 5.829 -2.929 65 HG LEU 7 HG LEU 7 1.154 3.117 -2.324 66 HD11 LEU 7 1HD1 LEU 7 3.203 3.934 -1.829 67 HD12 LEU 7 2HD1 LEU 7 2.384 4.434 -0.347 68 HD13 LEU 7 3HD1 LEU 7 2.624 5.591 -1.657 69 HD21 LEU 7 3HD2 LEU 7 -0.739 3.470 -1.134 70 HD22 LEU 7 1HD2 LEU 7 -0.523 5.220 -1.096 71 HD23 LEU 7 2HD2 LEU 7 0.398 4.194 0.003 72 H ASN 8 H ASN 8 -1.898 5.336 -5.596 73 HA ASN 8 HA ASN 8 -0.194 6.676 -7.590 74 HB2 ASN 8 2HB ASN 8 -1.747 4.567 -8.244 75 HB3 ASN 8 1HB ASN 8 -2.918 5.871 -8.441 76 HD21 ASN 8 1HD2 ASN 8 -1.183 7.874 -9.307 77 HD22 ASN 8 2HD2 ASN 8 -0.607 7.458 -10.881 78 H LEU 9 H LEU 9 -0.297 8.747 -6.961 79 HA LEU 9 HA LEU 9 -2.856 9.863 -6.101 80 HB2 LEU 9 2HB LEU 9 -1.528 11.865 -5.487 81 HB3 LEU 9 1HB LEU 9 -1.019 10.390 -4.663 82 HG LEU 9 HG LEU 9 0.475 10.895 -7.130 83 HD11 LEU 9 1HD1 LEU 9 0.147 13.049 -5.146 84 HD12 LEU 9 2HD1 LEU 9 0.623 13.123 -6.841 85 HD13 LEU 9 3HD1 LEU 9 1.806 12.674 -5.613 86 HD21 LEU 9 3HD2 LEU 9 1.850 9.573 -6.000 87 HD22 LEU 9 1HD2 LEU 9 0.810 9.670 -4.580 88 HD23 LEU 9 2HD2 LEU 9 2.097 10.857 -4.814 89 H LYS 10 H LYS 10 -2.990 12.343 -6.817 90 HA LYS 10 HA LYS 10 -3.950 12.462 -9.358 91 HB2 LYS 10 2HB LYS 10 -3.337 14.973 -9.227 92 HB3 LYS 10 1HB LYS 10 -4.457 14.304 -8.050 93 HG2 LYS 10 2HG LYS 10 -1.796 14.061 -7.049 94 HG3 LYS 10 1HG LYS 10 -2.064 15.716 -7.582 95 HD2 LYS 10 2HD LYS 10 -4.393 15.152 -6.258 96 HD3 LYS 10 1HD LYS 10 -3.200 14.262 -5.309 97 HE2 LYS 10 2HE LYS 10 -1.993 16.707 -5.790 98 HE3 LYS 10 1HE LYS 10 -3.680 17.124 -5.490 99 HZ1 LYS 10 3HZ LYS 10 -2.069 16.951 -3.511 100 HZ2 LYS 10 1HZ LYS 10 -2.244 15.283 -3.687 101 HZ3 LYS 10 2HZ LYS 10 -3.597 16.243 -3.366 102 H GLN 11 H GLN 11 -0.600 13.288 -8.429 103 HA GLN 11 HA GLN 11 0.210 12.694 -11.170 104 HB2 GLN 11 2HB GLN 11 -0.216 15.100 -11.116 105 HB3 GLN 11 1HB GLN 11 0.929 15.285 -9.784 106 HG2 GLN 11 2HG GLN 11 2.730 14.415 -11.315 107 HG3 GLN 11 1HG GLN 11 1.534 14.372 -12.613 108 HE21 GLN 11 1HE2 GLN 11 0.162 16.639 -12.282 109 HE22 GLN 11 2HE2 GLN 11 1.185 18.024 -12.503 110 H ALA 12 H ALA 12 0.872 10.835 -9.664 111 HA ALA 12 HA ALA 12 3.588 10.598 -9.537 112 HB1 ALA 12 1HB ALA 12 4.333 11.748 -7.790 113 HB2 ALA 12 2HB ALA 12 3.328 10.770 -6.729 114 HB3 ALA 12 3HB ALA 12 2.696 12.272 -7.403 115 H LYS 13 H LYS 13 4.301 8.616 -8.601 116 HA LYS 13 HA LYS 13 2.214 6.915 -7.460 117 HB2 LYS 13 2HB LYS 13 2.702 5.094 -8.970 118 HB3 LYS 13 1HB LYS 13 2.258 6.515 -9.905 119 HG2 LYS 13 2HG LYS 13 5.018 6.670 -9.675 120 HG3 LYS 13 1HG LYS 13 4.695 4.962 -9.940 121 HD2 LYS 13 2HD LYS 13 3.479 7.123 -11.642 122 HD3 LYS 13 1HD LYS 13 5.035 6.375 -12.015 123 HE2 LYS 13 2HE LYS 13 3.638 5.059 -13.248 124 HE3 LYS 13 1HE LYS 13 3.666 4.156 -11.741 125 HZ1 LYS 13 3HZ LYS 13 1.580 6.149 -12.433 126 HZ2 LYS 13 1HZ LYS 13 1.576 5.076 -11.126 127 HZ3 LYS 13 2HZ LYS 13 1.415 4.488 -12.705 128 H GLU 14 H GLU 14 2.927 5.899 -5.716 129 HA GLU 14 HA GLU 14 5.816 5.368 -5.472 130 HB2 GLU 14 2HB GLU 14 4.082 6.925 -3.764 131 HB3 GLU 14 1HB GLU 14 4.761 5.563 -2.872 132 HG2 GLU 14 2HG GLU 14 6.867 6.692 -4.362 133 HG3 GLU 14 1HG GLU 14 5.989 8.028 -3.616 134 H GLU 15 H GLU 15 6.399 3.353 -4.844 135 HA GLU 15 HA GLU 15 4.213 1.470 -4.255 136 HB2 GLU 15 2HB GLU 15 6.860 1.059 -5.636 137 HB3 GLU 15 1HB GLU 15 5.868 -0.279 -5.070 138 HG2 GLU 15 2HG GLU 15 4.032 0.508 -6.505 139 HG3 GLU 15 1HG GLU 15 5.075 1.796 -7.104 140 H ALA 16 H ALA 16 4.118 0.823 -2.225 141 HA ALA 16 HA ALA 16 6.602 0.720 -0.647 142 HB1 ALA 16 1HB ALA 16 3.750 0.987 0.304 143 HB2 ALA 16 2HB ALA 16 4.959 2.271 0.255 144 HB3 ALA 16 3HB ALA 16 5.176 0.898 1.340 145 H ILE 17 H ILE 17 7.290 -1.198 0.090 146 HA ILE 17 HA ILE 17 5.404 -3.437 0.190 147 HB ILE 17 HB ILE 17 6.883 -4.938 -0.969 148 HG12 ILE 17 2HG1 ILE 17 9.018 -3.884 -0.245 149 HG13 ILE 17 1HG1 ILE 17 8.982 -4.243 -1.969 150 HG21 ILE 17 1HG2 ILE 17 6.787 -4.004 -3.225 151 HG22 ILE 17 2HG2 ILE 17 6.516 -2.395 -2.554 152 HG23 ILE 17 3HG2 ILE 17 5.309 -3.661 -2.326 153 HD11 ILE 17 3HD1 ILE 17 9.299 -1.712 -0.600 154 HD12 ILE 17 1HD1 ILE 17 8.040 -1.658 -1.831 155 HD13 ILE 17 2HD1 ILE 17 9.674 -2.157 -2.265 156 H LYS 18 H LYS 18 6.011 -5.165 1.533 157 HA LYS 18 HA LYS 18 8.408 -5.164 3.057 158 HB2 LYS 18 2HB LYS 18 7.557 -3.329 4.256 159 HB3 LYS 18 1HB LYS 18 5.914 -3.969 4.236 160 HG2 LYS 18 2HG LYS 18 6.759 -4.158 6.456 161 HG3 LYS 18 1HG LYS 18 6.690 -5.784 5.772 162 HD2 LYS 18 2HD LYS 18 8.776 -5.850 6.676 163 HD3 LYS 18 1HD LYS 18 9.179 -5.195 5.086 164 HE2 LYS 18 2HE LYS 18 10.287 -3.684 6.378 165 HE3 LYS 18 1HE LYS 18 8.710 -2.903 6.335 166 HZ1 LYS 18 3HZ LYS 18 9.989 -3.356 8.582 167 HZ2 LYS 18 1HZ LYS 18 9.182 -4.837 8.468 168 HZ3 LYS 18 2HZ LYS 18 8.306 -3.392 8.495 169 H GLU 19 H GLU 19 8.545 -6.974 4.479 170 HA GLU 19 HA GLU 19 6.450 -8.990 3.995 171 HB2 GLU 19 2HB GLU 19 8.961 -9.241 3.193 172 HB3 GLU 19 1HB GLU 19 9.195 -9.768 4.853 173 HG2 GLU 19 2HG GLU 19 6.988 -10.982 3.285 174 HG3 GLU 19 1HG GLU 19 8.646 -11.470 2.930 175 H ALA 20 H ALA 20 5.546 -10.052 5.694 176 HA ALA 20 HA ALA 20 6.669 -9.638 8.368 177 HB1 ALA 20 1HB ALA 20 4.721 -8.785 9.306 178 HB2 ALA 20 2HB ALA 20 3.726 -9.294 7.942 179 HB3 ALA 20 3HB ALA 20 4.838 -7.935 7.766 180 H VAL 21 H VAL 21 5.199 -10.924 10.002 181 HA VAL 21 HA VAL 21 5.454 -13.645 9.337 182 HB VAL 21 HB VAL 21 4.268 -14.095 11.459 183 HG11 VAL 21 1HG1 VAL 21 5.888 -12.603 12.879 184 HG12 VAL 21 2HG1 VAL 21 6.557 -12.193 11.299 185 HG13 VAL 21 3HG1 VAL 21 6.523 -13.875 11.833 186 HG21 VAL 21 3HG2 VAL 21 2.639 -12.512 11.774 187 HG22 VAL 21 1HG2 VAL 21 3.668 -11.186 11.235 188 HG23 VAL 21 2HG2 VAL 21 3.900 -11.887 12.837 189 H ASP 22 H ASP 22 2.545 -11.594 9.638 190 HA ASP 22 HA ASP 22 1.083 -13.678 8.155 191 HB2 ASP 22 2HB ASP 22 -0.253 -11.779 10.076 192 HB3 ASP 22 1HB ASP 22 -0.883 -13.278 9.401 193 H ALA 23 H ALA 23 0.287 -10.317 9.053 194 HA ALA 23 HA ALA 23 0.695 -9.190 6.522 195 HB1 ALA 23 1HB ALA 23 -1.314 -10.890 6.233 196 HB2 ALA 23 2HB ALA 23 -1.266 -9.344 5.386 197 HB3 ALA 23 3HB ALA 23 -2.232 -9.517 6.851 198 H GLY 24 H GLY 24 -1.172 -9.175 9.506 199 HA2 GLY 24 2HA GLY 24 -2.253 -6.665 9.568 200 HA3 GLY 24 1HA GLY 24 -1.563 -7.445 10.983 201 H THR 25 H THR 25 1.127 -7.494 9.776 202 HA THR 25 HA THR 25 2.017 -4.956 10.726 203 HB THR 25 HB THR 25 3.797 -6.738 9.121 204 HG1 THR 25 1HG THR 25 2.689 -7.373 11.645 205 HG21 THR 25 3HG2 THR 25 5.329 -5.481 10.096 206 HG22 THR 25 1HG2 THR 25 4.877 -6.213 11.634 207 HG23 THR 25 2HG2 THR 25 4.122 -4.705 11.120 208 H ALA 26 H ALA 26 1.409 -6.355 7.574 209 HA ALA 26 HA ALA 26 2.727 -4.286 6.094 210 HB1 ALA 26 1HB ALA 26 0.587 -5.826 4.773 211 HB2 ALA 26 2HB ALA 26 1.911 -6.772 5.452 212 HB3 ALA 26 3HB ALA 26 2.245 -5.515 4.261 213 H GLU 27 H GLU 27 -0.552 -4.915 7.189 214 HA GLU 27 HA GLU 27 -1.835 -2.869 5.725 215 HB2 GLU 27 2HB GLU 27 -3.351 -4.381 6.578 216 HB3 GLU 27 1HB GLU 27 -2.498 -4.541 8.105 217 HG2 GLU 27 2HG GLU 27 -3.468 -2.629 8.995 218 HG3 GLU 27 1HG GLU 27 -3.919 -2.004 7.406 219 H LYS 28 H LYS 28 -1.456 -2.869 9.254 220 HA LYS 28 HA LYS 28 -1.795 -0.182 9.688 221 HB2 LYS 28 2HB LYS 28 -0.782 -0.463 11.824 222 HB3 LYS 28 1HB LYS 28 -1.592 -1.973 11.439 223 HG2 LYS 28 2HG LYS 28 0.294 -3.112 11.665 224 HG3 LYS 28 1HG LYS 28 1.139 -2.051 10.538 225 HD2 LYS 28 2HD LYS 28 2.301 -1.923 12.605 226 HD3 LYS 28 1HD LYS 28 1.395 -0.417 12.436 227 HE2 LYS 28 2HE LYS 28 0.784 -0.895 14.560 228 HE3 LYS 28 1HE LYS 28 -0.428 -1.880 13.743 229 HZ1 LYS 28 3HZ LYS 28 2.001 -2.717 15.160 230 HZ2 LYS 28 1HZ LYS 28 1.448 -3.670 13.877 231 HZ3 LYS 28 2HZ LYS 28 0.445 -3.380 15.208 232 H TYR 29 H TYR 29 1.073 -1.775 8.480 233 HA TYR 29 HA TYR 29 2.775 0.522 8.846 234 HB2 TYR 29 2HB TYR 29 3.790 -1.690 8.836 235 HB3 TYR 29 1HB TYR 29 3.158 -2.004 7.218 236 HD1 TYR 29 2HD TYR 29 4.012 -0.531 5.310 237 HD2 TYR 29 1HD TYR 29 5.882 -0.691 9.127 238 HE1 TYR 29 2HE TYR 29 6.072 0.383 4.331 239 HE2 TYR 29 1HE TYR 29 7.948 0.224 8.159 240 HH TYR 29 HH TYR 29 8.437 0.484 4.775 241 H PHE 30 H PHE 30 1.128 -1.027 6.110 242 HA PHE 30 HA PHE 30 1.965 0.810 4.144 243 HB2 PHE 30 2HB PHE 30 -0.295 -1.155 4.361 244 HB3 PHE 30 1HB PHE 30 -0.287 0.006 3.034 245 HD1 PHE 30 2HD PHE 30 3.060 -0.504 3.583 246 HD2 PHE 30 1HD PHE 30 -0.363 -2.595 2.150 247 HE1 PHE 30 2HE PHE 30 4.520 -2.004 2.293 248 HE2 PHE 30 1HE PHE 30 1.098 -4.099 0.858 249 HZ PHE 30 HZ PHE 30 3.539 -3.803 0.931 250 H LYS 31 H LYS 31 -0.808 0.703 6.317 251 HA LYS 31 HA LYS 31 -2.189 2.921 5.312 252 HB2 LYS 31 2HB LYS 31 -2.751 1.115 7.196 253 HB3 LYS 31 1HB LYS 31 -2.213 2.420 8.244 254 HG2 LYS 31 2HG LYS 31 -3.913 3.718 6.546 255 HG3 LYS 31 1HG LYS 31 -4.677 2.136 6.709 256 HD2 LYS 31 2HD LYS 31 -4.093 2.601 9.280 257 HD3 LYS 31 1HD LYS 31 -4.259 4.266 8.722 258 HE2 LYS 31 2HE LYS 31 -6.471 3.604 7.731 259 HE3 LYS 31 1HE LYS 31 -6.303 2.060 8.565 260 HZ1 LYS 31 3HZ LYS 31 -5.899 3.683 10.593 261 HZ2 LYS 31 1HZ LYS 31 -7.451 3.194 10.131 262 HZ3 LYS 31 2HZ LYS 31 -6.865 4.706 9.655 263 H LEU 32 H LEU 32 0.489 2.691 7.615 264 HA LEU 32 HA LEU 32 0.420 5.356 8.513 265 HB2 LEU 32 2HB LEU 32 2.624 3.309 8.378 266 HB3 LEU 32 1HB LEU 32 2.859 4.906 9.070 267 HG LEU 32 HG LEU 32 1.871 2.562 10.326 268 HD11 LEU 32 1HD1 LEU 32 2.228 5.411 11.218 269 HD12 LEU 32 2HD1 LEU 32 3.367 4.074 11.391 270 HD13 LEU 32 3HD1 LEU 32 1.862 4.076 12.313 271 HD21 LEU 32 3HD2 LEU 32 -0.159 4.795 10.284 272 HD22 LEU 32 1HD2 LEU 32 -0.199 3.382 11.338 273 HD23 LEU 32 2HD2 LEU 32 -0.372 3.186 9.595 274 H ILE 33 H ILE 33 2.052 3.826 5.760 275 HA ILE 33 HA ILE 33 3.447 6.227 5.034 276 HB ILE 33 HB ILE 33 4.359 4.025 4.444 277 HG12 ILE 33 2HG1 ILE 33 4.241 4.704 1.751 278 HG13 ILE 33 1HG1 ILE 33 3.937 6.227 2.581 279 HG21 ILE 33 1HG2 ILE 33 1.859 3.817 2.800 280 HG22 ILE 33 2HG2 ILE 33 2.495 2.687 3.994 281 HG23 ILE 33 3HG2 ILE 33 3.301 2.869 2.436 282 HD11 ILE 33 3HD1 ILE 33 6.400 4.851 2.182 283 HD12 ILE 33 1HD1 ILE 33 6.089 5.007 3.911 284 HD13 ILE 33 2HD1 ILE 33 6.112 6.442 2.886 285 H ALA 34 H ALA 34 0.436 4.666 4.148 286 HA ALA 34 HA ALA 34 -0.157 6.196 1.858 287 HB1 ALA 34 1HB ALA 34 -1.546 4.391 1.987 288 HB2 ALA 34 2HB ALA 34 -2.607 5.610 2.695 289 HB3 ALA 34 3HB ALA 34 -1.713 4.504 3.738 290 H ASN 35 H ASN 35 -1.425 6.525 5.178 291 HA ASN 35 HA ASN 35 -2.740 8.947 4.823 292 HB2 ASN 35 2HB ASN 35 -1.812 7.349 7.101 293 HB3 ASN 35 1HB ASN 35 -1.895 9.074 7.440 294 HD21 ASN 35 1HD2 ASN 35 -3.967 7.320 5.201 295 HD22 ASN 35 2HD2 ASN 35 -5.428 7.545 6.095 296 H ALA 36 H ALA 36 0.653 8.289 5.455 297 HA ALA 36 HA ALA 36 1.239 11.126 5.756 298 HB1 ALA 36 1HB ALA 36 3.155 10.516 6.773 299 HB2 ALA 36 2HB ALA 36 3.466 9.202 5.639 300 HB3 ALA 36 3HB ALA 36 2.322 8.975 6.962 301 H LYS 37 H LYS 37 0.591 9.318 3.174 302 HA LYS 37 HA LYS 37 2.808 10.304 1.533 303 HB2 LYS 37 2HB LYS 37 0.961 8.014 1.367 304 HB3 LYS 37 1HB LYS 37 1.292 8.808 -0.166 305 HG2 LYS 37 2HG LYS 37 3.707 8.365 1.377 306 HG3 LYS 37 1HG LYS 37 2.831 6.868 1.051 307 HD2 LYS 37 2HD LYS 37 4.351 7.203 -0.753 308 HD3 LYS 37 1HD LYS 37 2.734 7.563 -1.361 309 HE2 LYS 37 2HE LYS 37 4.477 9.192 -2.075 310 HE3 LYS 37 1HE LYS 37 3.127 9.917 -1.202 311 HZ1 LYS 37 3HZ LYS 37 5.323 9.117 0.485 312 HZ2 LYS 37 1HZ LYS 37 4.456 10.568 0.452 313 HZ3 LYS 37 2HZ LYS 37 5.726 10.311 -0.630 314 H THR 38 H THR 38 -0.706 10.463 1.856 315 HA THR 38 HA THR 38 -0.870 13.029 0.733 316 HB THR 38 HB THR 38 -2.376 11.955 -1.267 317 HG1 THR 38 1HG THR 38 -1.121 10.304 -2.193 318 HG21 THR 38 3HG2 THR 38 0.155 13.289 -1.084 319 HG22 THR 38 1HG2 THR 38 -1.073 13.376 -2.349 320 HG23 THR 38 2HG2 THR 38 0.164 12.119 -2.401 321 H VAL 39 H VAL 39 -2.542 9.979 1.306 322 HA VAL 39 HA VAL 39 -4.470 9.531 2.451 323 HB VAL 39 HB VAL 39 -4.856 12.495 2.866 324 HG11 VAL 39 1HG1 VAL 39 -5.694 10.305 4.724 325 HG12 VAL 39 2HG1 VAL 39 -6.682 10.720 3.322 326 HG13 VAL 39 3HG1 VAL 39 -6.343 11.937 4.554 327 HG21 VAL 39 3HG2 VAL 39 -2.584 11.449 3.619 328 HG22 VAL 39 1HG2 VAL 39 -3.560 10.751 4.911 329 HG23 VAL 39 2HG2 VAL 39 -3.480 12.500 4.714 330 H GLU 40 H GLU 40 -4.847 9.175 -0.014 331 HA GLU 40 HA GLU 40 -7.510 9.791 -0.579 332 HB2 GLU 40 2HB GLU 40 -5.618 11.836 -1.395 333 HB3 GLU 40 1HB GLU 40 -6.486 11.170 -2.778 334 HG2 GLU 40 2HG GLU 40 -7.992 11.998 -0.339 335 HG3 GLU 40 1HG GLU 40 -7.441 13.211 -1.491 336 H GLY 41 H GLY 41 -8.107 8.044 -1.664 337 HA2 GLY 41 2HA GLY 41 -7.326 7.275 -4.174 338 HA3 GLY 41 1HA GLY 41 -6.194 6.450 -3.104 339 H VAL 42 H VAL 42 -7.591 4.818 -4.581 340 HA VAL 42 HA VAL 42 -9.878 3.920 -2.966 341 HB VAL 42 HB VAL 42 -10.520 2.539 -4.911 342 HG11 VAL 42 1HG1 VAL 42 -10.188 5.361 -5.863 343 HG12 VAL 42 2HG1 VAL 42 -11.247 4.969 -4.508 344 HG13 VAL 42 3HG1 VAL 42 -11.548 4.260 -6.095 345 HG21 VAL 42 3HG2 VAL 42 -8.486 2.129 -6.034 346 HG22 VAL 42 1HG2 VAL 42 -8.124 3.848 -6.169 347 HG23 VAL 42 2HG2 VAL 42 -9.429 3.148 -7.120 348 H TRP 43 H TRP 43 -9.332 2.485 -1.530 349 HA TRP 43 HA TRP 43 -7.007 0.924 -1.553 350 HB2 TRP 43 2HB TRP 43 -9.481 1.209 0.063 351 HB3 TRP 43 1HB TRP 43 -8.571 -0.268 0.276 352 HD1 TRP 43 HD TRP 43 -8.081 3.553 0.488 353 HE1 TRP 43 1HE TRP 43 -6.306 4.074 2.261 354 HE3 TRP 43 3HE TRP 43 -6.672 -1.241 1.689 355 HZ2 TRP 43 2HZ TRP 43 -4.554 2.692 3.938 356 HZ3 TRP 43 3HZ TRP 43 -4.876 -1.528 3.453 357 HH2 TRP 43 HH TRP 43 -3.876 0.410 4.514 358 H THR 44 H THR 44 -6.653 -0.740 -2.885 359 HA THR 44 HA THR 44 -8.802 -2.700 -3.292 360 HB THR 44 HB THR 44 -7.651 -2.952 -5.657 361 HG1 THR 44 1HG THR 44 -7.201 -0.221 -5.041 362 HG21 THR 44 3HG2 THR 44 -9.161 -0.798 -6.312 363 HG22 THR 44 1HG2 THR 44 -9.848 -1.253 -4.752 364 HG23 THR 44 2HG2 THR 44 -9.780 -2.430 -6.063 365 H TYR 45 H TYR 45 -7.922 -4.829 -4.086 366 HA TYR 45 HA TYR 45 -5.121 -5.259 -3.418 367 HB2 TYR 45 2HB TYR 45 -5.629 -5.993 -1.357 368 HB3 TYR 45 1HB TYR 45 -7.350 -6.117 -1.721 369 HD1 TYR 45 2HD TYR 45 -8.224 -8.212 -2.771 370 HD2 TYR 45 1HD TYR 45 -4.221 -7.895 -1.367 371 HE1 TYR 45 2HE TYR 45 -8.035 -10.664 -2.773 372 HE2 TYR 45 1HE TYR 45 -4.021 -10.345 -1.364 373 HH TYR 45 HH TYR 45 -5.004 -12.279 -2.267 374 H LYS 46 H LYS 46 -4.195 -7.104 -4.305 375 HA LYS 46 HA LYS 46 -5.833 -8.411 -6.373 376 HB2 LYS 46 2HB LYS 46 -3.887 -6.864 -7.072 377 HB3 LYS 46 1HB LYS 46 -2.836 -8.160 -6.498 378 HG2 LYS 46 2HG LYS 46 -4.653 -9.454 -8.123 379 HG3 LYS 46 1HG LYS 46 -4.337 -7.933 -8.962 380 HD2 LYS 46 2HD LYS 46 -2.167 -9.751 -7.931 381 HD3 LYS 46 1HD LYS 46 -2.803 -9.823 -9.572 382 HE2 LYS 46 2HE LYS 46 -2.243 -7.323 -9.689 383 HE3 LYS 46 1HE LYS 46 -1.270 -7.611 -8.242 384 HZ1 LYS 46 3HZ LYS 46 -0.849 -9.445 -10.465 385 HZ2 LYS 46 1HZ LYS 46 0.271 -8.743 -9.405 386 HZ3 LYS 46 2HZ LYS 46 -0.329 -7.856 -10.715 387 H ASP 47 H ASP 47 -5.989 -10.556 -6.355 388 HA ASP 47 HA ASP 47 -4.683 -12.019 -4.212 389 HB2 ASP 47 2HB ASP 47 -7.149 -12.233 -4.751 390 HB3 ASP 47 1HB ASP 47 -6.671 -13.086 -6.218 391 H GLU 48 H GLU 48 -2.907 -13.114 -4.470 392 HA GLU 48 HA GLU 48 -2.160 -15.062 -6.124 393 HB2 GLU 48 2HB GLU 48 -2.154 -12.575 -7.689 394 HB3 GLU 48 1HB GLU 48 -0.613 -13.417 -7.736 395 HG2 GLU 48 2HG GLU 48 -3.303 -14.419 -8.623 396 HG3 GLU 48 1HG GLU 48 -1.848 -14.179 -9.577 397 H ILE 49 H ILE 49 -0.736 -11.867 -5.302 398 HA ILE 49 HA ILE 49 1.357 -13.313 -3.833 399 HB ILE 49 HB ILE 49 1.856 -10.773 -5.383 400 HG12 ILE 49 2HG1 ILE 49 3.308 -12.986 -6.447 401 HG13 ILE 49 1HG1 ILE 49 1.606 -13.428 -6.379 402 HG21 ILE 49 1HG2 ILE 49 3.424 -12.465 -3.558 403 HG22 ILE 49 2HG2 ILE 49 3.562 -10.743 -3.914 404 HG23 ILE 49 3HG2 ILE 49 4.264 -11.929 -5.013 405 HD11 ILE 49 3HD1 ILE 49 1.574 -10.871 -7.408 406 HD12 ILE 49 1HD1 ILE 49 1.401 -12.372 -8.316 407 HD13 ILE 49 2HD1 ILE 49 2.986 -11.614 -8.155 408 H LYS 50 H LYS 50 -1.250 -11.747 -3.280 409 HA LYS 50 HA LYS 50 -2.074 -10.350 -1.692 410 HB2 LYS 50 2HB LYS 50 0.562 -10.621 -0.266 411 HB3 LYS 50 1HB LYS 50 -1.034 -10.367 0.428 412 HG2 LYS 50 2HG LYS 50 -1.345 -12.545 0.635 413 HG3 LYS 50 1HG LYS 50 -1.030 -12.796 -1.082 414 HD2 LYS 50 2HD LYS 50 1.305 -12.319 0.686 415 HD3 LYS 50 1HD LYS 50 0.487 -13.878 0.819 416 HE2 LYS 50 2HE LYS 50 0.677 -13.606 -1.877 417 HE3 LYS 50 1HE LYS 50 2.144 -12.785 -1.348 418 HZ1 LYS 50 3HZ LYS 50 1.591 -15.344 -0.088 419 HZ2 LYS 50 1HZ LYS 50 3.059 -14.695 -0.624 420 HZ3 LYS 50 2HZ LYS 50 1.995 -15.405 -1.728 421 H THR 51 H THR 51 -2.102 -8.523 -3.082 422 HA THR 51 HA THR 51 -0.170 -6.481 -2.265 423 HB THR 51 HB THR 51 0.069 -5.696 -4.593 424 HG1 THR 51 1HG THR 51 -1.214 -8.114 -5.317 425 HG21 THR 51 3HG2 THR 51 1.501 -7.650 -3.487 426 HG22 THR 51 1HG2 THR 51 1.771 -7.070 -5.130 427 HG23 THR 51 2HG2 THR 51 0.827 -8.534 -4.855 428 H PHE 52 H PHE 52 -1.070 -4.608 -1.770 429 HA PHE 52 HA PHE 52 -3.875 -4.173 -2.534 430 HB2 PHE 52 2HB PHE 52 -2.455 -2.665 -0.351 431 HB3 PHE 52 1HB PHE 52 -4.183 -2.922 -0.566 432 HD1 PHE 52 2HD PHE 52 -1.031 -4.464 0.521 433 HD2 PHE 52 1HD PHE 52 -5.257 -4.890 0.243 434 HE1 PHE 52 2HE PHE 52 -0.934 -6.382 2.057 435 HE2 PHE 52 1HE PHE 52 -5.167 -6.809 1.780 436 HZ PHE 52 HZ PHE 52 -3.005 -7.557 2.689 437 H THR 53 H THR 53 -4.522 -1.932 -3.023 438 HA THR 53 HA THR 53 -2.354 -0.164 -3.820 439 HB THR 53 HB THR 53 -4.423 -1.228 -5.758 440 HG1 THR 53 1HG THR 53 -1.761 -1.753 -5.292 441 HG21 THR 53 3HG2 THR 53 -2.251 0.691 -6.531 442 HG22 THR 53 1HG2 THR 53 -3.853 1.252 -6.042 443 HG23 THR 53 2HG2 THR 53 -3.678 0.192 -7.437 444 H VAL 54 H VAL 54 -2.982 1.999 -4.165 445 HA VAL 54 HA VAL 54 -5.748 2.677 -3.455 446 HB VAL 54 HB VAL 54 -3.919 2.881 -1.529 447 HG11 VAL 54 1HG1 VAL 54 -2.488 4.434 -2.891 448 HG12 VAL 54 2HG1 VAL 54 -2.940 5.033 -1.299 449 HG13 VAL 54 3HG1 VAL 54 -3.766 5.635 -2.734 450 HG21 VAL 54 3HG2 VAL 54 -5.808 3.552 -0.592 451 HG22 VAL 54 1HG2 VAL 54 -6.431 4.140 -2.133 452 HG23 VAL 54 2HG2 VAL 54 -5.436 5.190 -1.126 453 H THR 55 H THR 55 -6.400 3.458 -5.369 454 HA THR 55 HA THR 55 -4.660 5.353 -6.783 455 HB THR 55 HB THR 55 -7.187 4.154 -7.890 456 HG1 THR 55 1HG THR 55 -5.832 2.452 -7.195 457 HG21 THR 55 3HG2 THR 55 -4.667 4.875 -9.345 458 HG22 THR 55 1HG2 THR 55 -5.985 6.021 -9.094 459 HG23 THR 55 2HG2 THR 55 -6.268 4.541 -10.010 460 H GLU 56 H GLU 56 -5.121 7.448 -6.914 461 HA GLU 56 HA GLU 56 -7.633 8.392 -5.745 462 HB2 GLU 56 2HB GLU 56 -5.471 9.290 -4.895 463 HB3 GLU 56 1HB GLU 56 -5.167 9.971 -6.486 464 HG2 GLU 56 2HG GLU 56 -7.306 11.261 -6.224 465 HG3 GLU 56 1HG GLU 56 -7.339 10.710 -4.545
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