NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23564 | 2jws | 15535 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA THR 1 HA THR 1 3.688 22.211 2.438 2 HB THR 1 HB THR 1 5.593 19.889 2.060 3 HG1 THR 1 1HG THR 1 6.853 20.949 3.587 4 H1 THR 1 1HT THR 1 3.709 19.426 3.356 5 H2 THR 1 2HT THR 1 2.249 20.302 3.166 6 H3 THR 1 3HT THR 1 3.454 20.861 4.254 7 HG21 THR 1 1HG2 THR 1 6.868 22.384 1.779 8 HG22 THR 1 2HG2 THR 1 5.452 22.378 0.728 9 HG23 THR 1 3HG2 THR 1 6.663 21.113 0.575 10 H THR 2 H THR 2 3.178 22.688 0.371 11 HA THR 2 HA THR 2 2.280 22.482 -1.709 12 HB THR 2 HB THR 2 3.058 19.769 -2.313 13 HG1 THR 2 1HG THR 2 5.320 20.139 -2.020 14 HG21 THR 2 3HG2 THR 2 4.571 22.082 -3.351 15 HG22 THR 2 1HG2 THR 2 2.859 21.966 -3.758 16 HG23 THR 2 2HG2 THR 2 3.961 20.657 -4.182 17 H TYR 3 H TYR 3 0.665 21.351 -3.006 18 HA TYR 3 HA TYR 3 -1.162 19.825 -1.283 19 HD1 TYR 3 2HD TYR 3 -3.200 21.875 -0.436 20 HD2 TYR 3 1HD TYR 3 -3.907 19.586 -3.949 21 HE1 TYR 3 2HE TYR 3 -5.444 21.314 0.392 22 HE2 TYR 3 1HE TYR 3 -6.153 19.009 -3.128 23 HH TYR 3 HH TYR 3 -7.755 20.579 -0.900 24 HB2 TYR 3 2HB TYR 3 -1.781 22.118 -2.423 25 HB3 TYR 3 1HB TYR 3 -2.043 21.114 -3.838 26 H LYS 4 H LYS 4 1.109 18.776 -2.878 27 HA LYS 4 HA LYS 4 -0.400 16.688 -4.257 28 HB2 LYS 4 2HB LYS 4 0.421 18.565 -5.868 29 HB3 LYS 4 1HB LYS 4 2.004 17.839 -5.644 30 HG2 LYS 4 2HG LYS 4 -0.066 15.894 -6.273 31 HG3 LYS 4 1HG LYS 4 0.139 17.115 -7.523 32 HD2 LYS 4 2HD LYS 4 2.181 16.364 -8.109 33 HD3 LYS 4 1HD LYS 4 2.640 16.020 -6.441 34 HE2 LYS 4 2HE LYS 4 1.919 13.878 -6.541 35 HE3 LYS 4 1HE LYS 4 0.546 14.285 -7.573 36 HZ1 LYS 4 3HZ LYS 4 3.165 13.354 -8.295 37 HZ2 LYS 4 1HZ LYS 4 2.684 14.713 -9.186 38 HZ3 LYS 4 2HZ LYS 4 1.725 13.317 -9.180 39 H LEU 5 H LEU 5 0.419 15.889 -2.057 40 HA LEU 5 HA LEU 5 2.835 14.347 -2.564 41 HG LEU 5 HG LEU 5 4.730 15.530 -2.205 42 HB2 LEU 5 2HB LEU 5 2.506 16.354 -0.382 43 HB3 LEU 5 1HB LEU 5 3.399 14.882 -0.038 44 HD11 LEU 5 1HD1 LEU 5 3.034 17.835 -1.793 45 HD12 LEU 5 2HD1 LEU 5 4.106 17.446 -3.139 46 HD13 LEU 5 3HD1 LEU 5 4.741 18.268 -1.721 47 HD21 LEU 5 3HD2 LEU 5 4.980 16.402 0.603 48 HD22 LEU 5 1HD2 LEU 5 6.013 17.217 -0.577 49 HD23 LEU 5 2HD2 LEU 5 6.086 15.464 -0.403 50 H ILE 6 H ILE 6 0.707 13.016 -2.803 51 HA ILE 6 HA ILE 6 -0.158 11.975 -0.203 52 HB ILE 6 HB ILE 6 -1.899 10.757 -1.568 53 HG12 ILE 6 2HG1 ILE 6 -1.444 12.714 -3.766 54 HG13 ILE 6 1HG1 ILE 6 -0.388 11.307 -3.709 55 HG21 ILE 6 1HG2 ILE 6 -1.703 13.679 -1.141 56 HG22 ILE 6 2HG2 ILE 6 -2.881 12.514 -0.530 57 HG23 ILE 6 3HG2 ILE 6 -3.013 13.122 -2.183 58 HD11 ILE 6 3HD1 ILE 6 -3.364 11.401 -4.054 59 HD12 ILE 6 1HD1 ILE 6 -2.516 9.926 -3.592 60 HD13 ILE 6 2HD1 ILE 6 -2.146 10.707 -5.126 61 H LEU 7 H LEU 7 1.866 10.837 0.112 62 HA LEU 7 HA LEU 7 1.901 8.276 -1.329 63 HG LEU 7 HG LEU 7 3.310 10.903 -2.429 64 HB2 LEU 7 2HB LEU 7 4.367 9.790 -0.477 65 HB3 LEU 7 1HB LEU 7 4.318 8.268 -1.351 66 HD11 LEU 7 1HD1 LEU 7 5.903 10.328 -2.028 67 HD12 LEU 7 2HD1 LEU 7 5.315 11.301 -3.378 68 HD13 LEU 7 3HD1 LEU 7 5.665 9.587 -3.609 69 HD21 LEU 7 3HD2 LEU 7 2.292 8.710 -3.256 70 HD22 LEU 7 1HD2 LEU 7 3.873 8.390 -3.970 71 HD23 LEU 7 2HD2 LEU 7 2.950 9.809 -4.466 72 H ASN 8 H ASN 8 2.187 6.495 -0.097 73 HA ASN 8 HA ASN 8 3.204 6.664 2.598 74 HB2 ASN 8 2HB ASN 8 1.116 5.593 3.556 75 HB3 ASN 8 1HB ASN 8 0.966 7.292 3.118 76 HD21 ASN 8 1HD2 ASN 8 -0.273 4.186 2.723 77 HD22 ASN 8 2HD2 ASN 8 -1.410 4.528 1.468 78 H LEU 9 H LEU 9 4.157 5.331 0.360 79 HA LEU 9 HA LEU 9 3.311 2.633 0.212 80 HG LEU 9 HG LEU 9 6.147 4.885 0.140 81 HB2 LEU 9 2HB LEU 9 5.441 2.257 -0.988 82 HB3 LEU 9 1HB LEU 9 4.508 3.604 -1.622 83 HD11 LEU 9 1HD1 LEU 9 8.400 3.746 -0.848 84 HD12 LEU 9 2HD1 LEU 9 7.386 2.329 -0.579 85 HD13 LEU 9 3HD1 LEU 9 7.736 3.428 0.755 86 HD21 LEU 9 3HD2 LEU 9 6.099 5.936 -1.852 87 HD22 LEU 9 1HD2 LEU 9 6.062 4.428 -2.766 88 HD23 LEU 9 2HD2 LEU 9 7.592 5.043 -2.139 89 H LYS 10 H LYS 10 5.634 4.319 2.216 90 HA LYS 10 HA LYS 10 7.140 2.197 3.177 91 HB2 LYS 10 2HB LYS 10 7.062 4.860 3.691 92 HB3 LYS 10 1HB LYS 10 6.360 4.233 5.176 93 HG2 LYS 10 2HG LYS 10 8.369 2.713 5.336 94 HG3 LYS 10 1HG LYS 10 9.076 3.664 4.028 95 HD2 LYS 10 2HD LYS 10 8.766 5.700 5.422 96 HD3 LYS 10 1HD LYS 10 8.217 4.660 6.736 97 HE2 LYS 10 2HE LYS 10 10.902 4.421 5.386 98 HE3 LYS 10 1HE LYS 10 10.618 5.317 6.878 99 HZ1 LYS 10 3HZ LYS 10 11.357 2.775 6.830 100 HZ2 LYS 10 1HZ LYS 10 9.676 2.569 6.836 101 HZ3 LYS 10 2HZ LYS 10 10.430 3.436 8.077 102 H GLN 11 H GLN 11 3.960 3.340 4.126 103 HA GLN 11 HA GLN 11 3.742 1.306 6.190 104 HB2 GLN 11 2HB GLN 11 2.807 3.804 6.160 105 HB3 GLN 11 1HB GLN 11 1.428 3.009 5.412 106 HG2 GLN 11 2HG GLN 11 2.466 1.740 7.857 107 HG3 GLN 11 1HG GLN 11 1.726 3.326 8.059 108 HE21 GLN 11 1HE2 GLN 11 -0.427 3.486 8.071 109 HE22 GLN 11 2HE2 GLN 11 -1.520 2.190 7.749 110 H ALA 12 H ALA 12 2.589 2.031 2.983 111 HA ALA 12 HA ALA 12 0.504 0.172 2.812 112 HB1 ALA 12 1HB ALA 12 1.071 2.014 1.166 113 HB2 ALA 12 2HB ALA 12 0.605 0.465 0.465 114 HB3 ALA 12 3HB ALA 12 2.304 0.930 0.521 115 H LYS 13 H LYS 13 3.984 -0.148 2.341 116 HA LYS 13 HA LYS 13 3.698 -2.932 1.582 117 HB2 LYS 13 2HB LYS 13 5.886 -2.911 0.910 118 HB3 LYS 13 1HB LYS 13 5.491 -1.213 0.727 119 HG2 LYS 13 2HG LYS 13 6.594 -1.905 3.357 120 HG3 LYS 13 1HG LYS 13 7.680 -2.186 1.998 121 HD2 LYS 13 2HD LYS 13 6.871 0.193 1.257 122 HD3 LYS 13 1HD LYS 13 6.481 0.362 2.970 123 HE2 LYS 13 2HE LYS 13 8.611 0.899 3.329 124 HE3 LYS 13 1HE LYS 13 9.040 -0.758 2.907 125 HZ1 LYS 13 3HZ LYS 13 8.913 1.567 1.066 126 HZ2 LYS 13 1HZ LYS 13 9.174 -0.028 0.567 127 HZ3 LYS 13 2HZ LYS 13 10.302 0.742 1.564 128 H GLU 14 H GLU 14 4.684 -1.040 4.376 129 HA GLU 14 HA GLU 14 5.755 -3.090 5.950 130 HB2 GLU 14 2HB GLU 14 4.432 -0.477 6.524 131 HB3 GLU 14 1HB GLU 14 4.643 -1.602 7.858 132 HG2 GLU 14 2HG GLU 14 6.876 -0.652 6.080 133 HG3 GLU 14 1HG GLU 14 6.456 0.076 7.628 134 H GLU 15 H GLU 15 2.423 -1.894 5.703 135 HA GLU 15 HA GLU 15 1.274 -3.833 7.417 136 HB2 GLU 15 2HB GLU 15 0.140 -1.718 6.744 137 HB3 GLU 15 1HB GLU 15 -0.009 -2.351 5.109 138 HG2 GLU 15 2HG GLU 15 -2.024 -3.025 5.784 139 HG3 GLU 15 1HG GLU 15 -1.141 -4.351 6.540 140 H ALA 16 H ALA 16 2.078 -3.696 4.027 141 HA ALA 16 HA ALA 16 0.687 -5.996 3.189 142 HB1 ALA 16 1HB ALA 16 1.951 -5.855 1.186 143 HB2 ALA 16 2HB ALA 16 3.222 -4.923 1.975 144 HB3 ALA 16 3HB ALA 16 1.637 -4.203 1.709 145 H ILE 17 H ILE 17 3.922 -5.473 4.512 146 HA ILE 17 HA ILE 17 5.003 -8.010 4.079 147 HB ILE 17 HB ILE 17 5.444 -6.116 6.398 148 HG12 ILE 17 2HG1 ILE 17 6.162 -5.144 4.319 149 HG13 ILE 17 1HG1 ILE 17 7.597 -5.670 5.189 150 HG21 ILE 17 1HG2 ILE 17 6.545 -8.800 5.840 151 HG22 ILE 17 2HG2 ILE 17 6.314 -7.962 7.375 152 HG23 ILE 17 3HG2 ILE 17 7.696 -7.567 6.356 153 HD11 ILE 17 3HD1 ILE 17 6.281 -7.051 2.865 154 HD12 ILE 17 1HD1 ILE 17 7.628 -7.713 3.792 155 HD13 ILE 17 2HD1 ILE 17 7.837 -6.221 2.877 156 H LYS 18 H LYS 18 3.141 -6.758 6.837 157 HA LYS 18 HA LYS 18 3.027 -9.162 8.289 158 HB2 LYS 18 2HB LYS 18 1.184 -6.772 8.208 159 HB3 LYS 18 1HB LYS 18 0.950 -8.116 9.317 160 HG2 LYS 18 2HG LYS 18 3.624 -7.364 9.618 161 HG3 LYS 18 1HG LYS 18 2.714 -5.856 9.523 162 HD2 LYS 18 2HD LYS 18 1.454 -7.881 11.215 163 HD3 LYS 18 1HD LYS 18 3.049 -7.381 11.779 164 HE2 LYS 18 2HE LYS 18 1.603 -5.881 12.821 165 HE3 LYS 18 1HE LYS 18 2.195 -4.984 11.423 166 HZ1 LYS 18 3HZ LYS 18 -0.054 -4.609 11.326 167 HZ2 LYS 18 1HZ LYS 18 -0.464 -6.154 11.883 168 HZ3 LYS 18 2HZ LYS 18 0.088 -5.944 10.298 169 H GLU 19 H GLU 19 1.151 -7.907 5.624 170 HA GLU 19 HA GLU 19 -1.032 -9.677 5.715 171 HB2 GLU 19 2HB GLU 19 0.070 -7.721 3.879 172 HB3 GLU 19 1HB GLU 19 -0.538 -9.121 3.009 173 HG2 GLU 19 2HG GLU 19 -2.258 -7.457 3.161 174 HG3 GLU 19 1HG GLU 19 -2.704 -8.851 4.145 175 H LEU 20 H LEU 20 1.981 -9.845 3.821 176 HA LEU 20 HA LEU 20 1.388 -12.486 2.880 177 HG LEU 20 HG LEU 20 2.745 -13.342 1.277 178 HB2 LEU 20 2HB LEU 20 3.018 -10.504 1.993 179 HB3 LEU 20 1HB LEU 20 4.186 -11.547 2.780 180 HD11 LEU 20 1HD1 LEU 20 1.606 -12.245 -0.282 181 HD12 LEU 20 2HD1 LEU 20 3.163 -11.806 -0.984 182 HD13 LEU 20 3HD1 LEU 20 2.358 -10.707 0.137 183 HD21 LEU 20 3HD2 LEU 20 4.765 -13.785 0.416 184 HD22 LEU 20 1HD2 LEU 20 5.341 -12.552 1.538 185 HD23 LEU 20 2HD2 LEU 20 5.001 -12.128 -0.140 186 H VAL 21 H VAL 21 3.286 -11.096 5.488 187 HA VAL 21 HA VAL 21 4.705 -13.430 6.205 188 HB VAL 21 HB VAL 21 3.905 -11.034 7.861 189 HG11 VAL 21 1HG1 VAL 21 5.277 -13.538 8.620 190 HG12 VAL 21 2HG1 VAL 21 4.319 -12.426 9.599 191 HG13 VAL 21 3HG1 VAL 21 5.995 -12.038 9.208 192 HG21 VAL 21 3HG2 VAL 21 5.837 -10.056 7.223 193 HG22 VAL 21 1HG2 VAL 21 5.675 -11.130 5.833 194 HG23 VAL 21 2HG2 VAL 21 6.721 -11.582 7.179 195 H ASP 22 H ASP 22 1.486 -12.285 6.880 196 HA ASP 22 HA ASP 22 1.034 -14.378 8.836 197 HB2 ASP 22 2HB ASP 22 -0.523 -12.023 7.858 198 HB3 ASP 22 1HB ASP 22 -1.406 -13.365 8.577 199 H ALA 23 H ALA 23 0.222 -13.583 5.509 200 HA ALA 23 HA ALA 23 -1.561 -15.823 5.194 201 HB1 ALA 23 1HB ALA 23 -1.074 -15.130 2.670 202 HB2 ALA 23 2HB ALA 23 -0.526 -13.654 3.463 203 HB3 ALA 23 3HB ALA 23 -2.178 -14.224 3.705 204 H GLY 24 H GLY 24 1.815 -15.404 5.154 205 HA2 GLY 24 2HA GLY 24 3.577 -16.681 4.392 206 HA3 GLY 24 1HA GLY 24 2.578 -17.989 5.013 207 H ILE 25 H ILE 25 3.303 -16.086 2.107 208 HA ILE 25 HA ILE 25 2.875 -18.494 0.518 209 HB ILE 25 HB ILE 25 1.821 -16.222 -0.948 210 HG12 ILE 25 2HG1 ILE 25 -0.432 -16.395 0.364 211 HG13 ILE 25 1HG1 ILE 25 0.590 -16.882 1.710 212 HG21 ILE 25 1HG2 ILE 25 -0.085 -17.871 -1.228 213 HG22 ILE 25 2HG2 ILE 25 0.870 -18.983 -0.249 214 HG23 ILE 25 3HG2 ILE 25 1.504 -18.397 -1.786 215 HD11 ILE 25 3HD1 ILE 25 -0.087 -14.338 1.154 216 HD12 ILE 25 1HD1 ILE 25 1.451 -14.459 0.300 217 HD13 ILE 25 2HD1 ILE 25 1.373 -14.806 2.028 218 H ALA 26 H ALA 26 3.136 -17.272 -2.017 219 HA ALA 26 HA ALA 26 5.800 -17.294 -2.499 220 HB1 ALA 26 1HB ALA 26 4.565 -17.268 -4.428 221 HB2 ALA 26 2HB ALA 26 5.193 -15.618 -4.430 222 HB3 ALA 26 3HB ALA 26 3.543 -15.937 -3.887 223 H GLU 27 H GLU 27 7.124 -16.274 -1.045 224 HA GLU 27 HA GLU 27 6.864 -13.722 -0.006 225 HB2 GLU 27 2HB GLU 27 9.021 -15.675 -0.293 226 HB3 GLU 27 1HB GLU 27 9.600 -14.015 -0.283 227 HG2 GLU 27 2HG GLU 27 7.857 -13.981 1.796 228 HG3 GLU 27 1HG GLU 27 8.467 -15.633 1.877 229 H LYS 28 H LYS 28 7.830 -14.725 -3.165 230 HA LYS 28 HA LYS 28 9.312 -12.650 -4.163 231 HB2 LYS 28 2HB LYS 28 8.931 -14.359 -5.687 232 HB3 LYS 28 1HB LYS 28 7.212 -14.429 -5.344 233 HG2 LYS 28 2HG LYS 28 6.921 -13.383 -7.269 234 HG3 LYS 28 1HG LYS 28 7.531 -11.933 -6.476 235 HD2 LYS 28 2HD LYS 28 9.853 -13.156 -7.133 236 HD3 LYS 28 1HD LYS 28 8.816 -13.691 -8.456 237 HE2 LYS 28 2HE LYS 28 9.862 -11.673 -9.155 238 HE3 LYS 28 1HE LYS 28 8.177 -11.291 -8.801 239 HZ1 LYS 28 3HZ LYS 28 10.581 -10.637 -7.210 240 HZ2 LYS 28 1HZ LYS 28 9.037 -10.621 -6.519 241 HZ3 LYS 28 2HZ LYS 28 9.397 -9.590 -7.811 242 H TYR 29 H TYR 29 5.786 -12.761 -3.786 243 HA TYR 29 HA TYR 29 5.278 -10.227 -4.882 244 HD1 TYR 29 1HD TYR 29 3.580 -13.353 -5.420 245 HD2 TYR 29 2HD TYR 29 2.250 -9.336 -4.987 246 HE1 TYR 29 1HE TYR 29 2.339 -13.542 -7.535 247 HE2 TYR 29 2HE TYR 29 1.005 -9.514 -7.100 248 HH TYR 29 HH TYR 29 1.436 -11.294 -9.346 249 HB2 TYR 29 2HB TYR 29 3.779 -12.196 -3.291 250 HB3 TYR 29 1HB TYR 29 3.235 -10.525 -3.116 251 H ILE 30 H ILE 30 6.285 -11.283 -1.717 252 HA ILE 30 HA ILE 30 5.751 -8.928 -0.276 253 HB ILE 30 HB ILE 30 6.753 -11.366 0.405 254 HG12 ILE 30 2HG1 ILE 30 7.057 -8.834 2.027 255 HG13 ILE 30 1HG1 ILE 30 5.562 -9.748 1.848 256 HG21 ILE 30 1HG2 ILE 30 8.975 -11.342 1.037 257 HG22 ILE 30 2HG2 ILE 30 9.067 -9.582 1.028 258 HG23 ILE 30 3HG2 ILE 30 9.017 -10.469 -0.494 259 HD11 ILE 30 3HD1 ILE 30 7.583 -11.535 2.712 260 HD12 ILE 30 1HD1 ILE 30 6.133 -11.007 3.565 261 HD13 ILE 30 2HD1 ILE 30 7.636 -10.100 3.736 262 H LYS 31 H LYS 31 8.185 -9.778 -2.585 263 HA LYS 31 HA LYS 31 9.994 -7.664 -1.910 264 HB2 LYS 31 2HB LYS 31 10.867 -9.656 -2.972 265 HB3 LYS 31 1HB LYS 31 9.812 -9.429 -4.357 266 HG2 LYS 31 2HG LYS 31 11.527 -8.398 -5.323 267 HG3 LYS 31 1HG LYS 31 11.199 -7.049 -4.233 268 HD2 LYS 31 2HD LYS 31 12.982 -9.352 -3.476 269 HD3 LYS 31 1HD LYS 31 13.587 -7.907 -4.289 270 HE2 LYS 31 2HE LYS 31 12.406 -6.626 -2.381 271 HE3 LYS 31 1HE LYS 31 12.408 -8.182 -1.549 272 HZ1 LYS 31 3HZ LYS 31 14.722 -8.231 -1.497 273 HZ2 LYS 31 1HZ LYS 31 14.354 -6.618 -1.138 274 HZ3 LYS 31 2HZ LYS 31 14.885 -7.041 -2.686 275 H LEU 32 H LEU 32 7.368 -8.097 -4.263 276 HA LEU 32 HA LEU 32 7.889 -5.760 -5.742 277 HG LEU 32 HG LEU 32 5.634 -8.487 -4.914 278 HB2 LEU 32 2HB LEU 32 5.044 -6.171 -5.539 279 HB3 LEU 32 1HB LEU 32 6.099 -6.315 -6.938 280 HD11 LEU 32 1HD1 LEU 32 4.419 -8.032 -7.624 281 HD12 LEU 32 2HD1 LEU 32 3.585 -8.111 -6.072 282 HD13 LEU 32 3HD1 LEU 32 4.336 -9.558 -6.745 283 HD21 LEU 32 3HD2 LEU 32 6.826 -8.756 -7.653 284 HD22 LEU 32 1HD2 LEU 32 6.865 -9.908 -6.319 285 HD23 LEU 32 2HD2 LEU 32 7.819 -8.427 -6.233 286 H ILE 33 H ILE 33 6.297 -6.302 -2.700 287 HA ILE 33 HA ILE 33 5.430 -3.524 -2.525 288 HB ILE 33 HB ILE 33 4.711 -4.309 -0.161 289 HG12 ILE 33 2HG1 ILE 33 4.947 -6.970 -1.573 290 HG13 ILE 33 1HG1 ILE 33 5.970 -6.434 -0.244 291 HG21 ILE 33 1HG2 ILE 33 2.936 -5.741 -1.905 292 HG22 ILE 33 2HG2 ILE 33 3.463 -4.236 -2.659 293 HG23 ILE 33 3HG2 ILE 33 2.699 -4.205 -1.070 294 HD11 ILE 33 3HD1 ILE 33 2.997 -6.701 -0.049 295 HD12 ILE 33 1HD1 ILE 33 4.153 -6.445 1.258 296 HD13 ILE 33 2HD1 ILE 33 4.134 -7.978 0.389 297 H ALA 34 H ALA 34 7.591 -5.776 -0.839 298 HA ALA 34 HA ALA 34 8.534 -4.010 1.101 299 HB1 ALA 34 1HB ALA 34 10.407 -5.535 1.369 300 HB2 ALA 34 2HB ALA 34 10.031 -6.297 -0.176 301 HB3 ALA 34 3HB ALA 34 8.904 -6.435 1.173 302 H ASN 35 H ASN 35 9.365 -4.392 -2.263 303 HA ASN 35 HA ASN 35 11.711 -2.699 -2.049 304 HB2 ASN 35 2HB ASN 35 11.871 -4.533 -3.590 305 HB3 ASN 35 1HB ASN 35 10.377 -4.057 -4.399 306 HD21 ASN 35 1HD2 ASN 35 10.389 -2.270 -5.776 307 HD22 ASN 35 2HD2 ASN 35 11.855 -1.622 -6.417 308 H ALA 36 H ALA 36 8.369 -2.291 -2.478 309 HA ALA 36 HA ALA 36 7.053 -0.510 -2.993 310 HB1 ALA 36 1HB ALA 36 7.864 1.668 -2.385 311 HB2 ALA 36 2HB ALA 36 9.538 1.121 -2.482 312 HB3 ALA 36 3HB ALA 36 8.475 0.491 -1.223 313 H LYS 37 H LYS 37 8.683 1.983 -4.174 314 HA LYS 37 HA LYS 37 9.401 2.730 -6.218 315 HB2 LYS 37 2HB LYS 37 9.847 -0.007 -6.528 316 HB3 LYS 37 1HB LYS 37 8.828 0.430 -7.900 317 HG2 LYS 37 2HG LYS 37 11.329 1.930 -7.171 318 HG3 LYS 37 1HG LYS 37 11.316 0.549 -8.268 319 HD2 LYS 37 2HD LYS 37 10.644 1.835 -9.953 320 HD3 LYS 37 1HD LYS 37 9.263 2.410 -9.019 321 HE2 LYS 37 2HE LYS 37 11.928 3.541 -8.372 322 HE3 LYS 37 1HE LYS 37 11.182 4.038 -9.891 323 HZ1 LYS 37 3HZ LYS 37 9.133 4.468 -8.409 324 HZ2 LYS 37 1HZ LYS 37 10.398 5.591 -8.402 325 HZ3 LYS 37 2HZ LYS 37 10.244 4.483 -7.134 326 H THR 38 H THR 38 6.441 1.136 -5.598 327 HA THR 38 HA THR 38 5.062 3.004 -7.344 328 HB THR 38 HB THR 38 3.570 0.750 -7.792 329 HG1 THR 38 1HG THR 38 4.829 -0.874 -7.387 330 HG21 THR 38 3HG2 THR 38 4.224 0.847 -10.026 331 HG22 THR 38 1HG2 THR 38 5.829 1.458 -9.622 332 HG23 THR 38 2HG2 THR 38 4.418 2.498 -9.434 333 H VAL 39 H VAL 39 4.649 3.872 -5.195 334 HA VAL 39 HA VAL 39 3.511 2.731 -3.021 335 HB VAL 39 HB VAL 39 4.005 5.137 -3.201 336 HG11 VAL 39 1HG1 VAL 39 2.824 5.360 -5.447 337 HG12 VAL 39 2HG1 VAL 39 2.618 6.673 -4.292 338 HG13 VAL 39 3HG1 VAL 39 1.332 5.493 -4.518 339 HG21 VAL 39 3HG2 VAL 39 2.869 5.089 -1.285 340 HG22 VAL 39 1HG2 VAL 39 1.678 3.958 -1.928 341 HG23 VAL 39 2HG2 VAL 39 1.486 5.691 -2.197 342 H GLU 40 H GLU 40 1.634 3.785 -5.882 343 HA GLU 40 HA GLU 40 -0.872 2.998 -4.897 344 HB2 GLU 40 2HB GLU 40 0.196 3.933 -7.393 345 HB3 GLU 40 1HB GLU 40 -0.869 2.568 -7.703 346 HG2 GLU 40 2HG GLU 40 -2.724 3.681 -7.030 347 HG3 GLU 40 1HG GLU 40 -1.849 4.655 -5.852 348 H GLY 41 H GLY 41 1.587 1.227 -6.726 349 HA2 GLY 41 2HA GLY 41 0.069 -1.171 -6.955 350 HA3 GLY 41 1HA GLY 41 1.805 -1.021 -7.170 351 H VAL 42 H VAL 42 2.640 -0.152 -4.696 352 HA VAL 42 HA VAL 42 3.019 -2.405 -3.208 353 HB VAL 42 HB VAL 42 2.637 0.317 -1.957 354 HG11 VAL 42 1HG1 VAL 42 3.149 -2.072 -0.762 355 HG12 VAL 42 2HG1 VAL 42 3.632 -0.503 -0.120 356 HG13 VAL 42 3HG1 VAL 42 4.780 -1.466 -1.052 357 HG21 VAL 42 3HG2 VAL 42 4.720 -0.705 -3.785 358 HG22 VAL 42 1HG2 VAL 42 5.287 0.172 -2.363 359 HG23 VAL 42 2HG2 VAL 42 4.177 0.948 -3.491 360 H TRP 43 H TRP 43 0.319 -0.138 -2.974 361 HA TRP 43 HA TRP 43 -0.938 -1.562 -0.816 362 HD1 TRP 43 HD TRP 43 -4.614 -0.517 -2.128 363 HE1 TRP 43 1HE TRP 43 -6.116 -0.426 -0.039 364 HE3 TRP 43 3HE TRP 43 -1.129 0.942 1.319 365 HZ2 TRP 43 2HZ TRP 43 -5.859 0.182 2.705 366 HZ3 TRP 43 3HZ TRP 43 -1.839 1.257 3.652 367 HH2 TRP 43 HH TRP 43 -4.156 0.886 4.331 368 HB2 TRP 43 2HB TRP 43 -1.178 0.914 -1.218 369 HB3 TRP 43 1HB TRP 43 -2.179 0.527 -2.613 370 H THR 44 H THR 44 -1.172 -1.518 -4.328 371 HA THR 44 HA THR 44 -3.610 -3.062 -4.372 372 HB THR 44 HB THR 44 -1.736 -2.821 -6.708 373 HG1 THR 44 1HG THR 44 -3.372 -0.807 -5.592 374 HG21 THR 44 3HG2 THR 44 -4.274 -2.254 -7.550 375 HG22 THR 44 1HG2 THR 44 -4.538 -3.489 -6.320 376 HG23 THR 44 2HG2 THR 44 -3.465 -3.816 -7.682 377 H LEU 45 H LEU 45 -0.191 -3.731 -5.008 378 HA LEU 45 HA LEU 45 -0.428 -6.433 -5.668 379 HB2 LEU 45 2HB LEU 45 1.771 -4.738 -4.558 380 HB3 LEU 45 1HB LEU 45 1.984 -6.478 -4.618 381 HD11 LEU 45 1HD1 LEU 45 1.200 -7.548 -6.663 382 HD12 LEU 45 2HD1 LEU 45 2.162 -7.027 -8.045 383 HD13 LEU 45 3HD1 LEU 45 0.507 -6.448 -7.855 384 HD21 LEU 45 3HD2 LEU 45 0.385 -4.115 -6.977 385 HD22 LEU 45 1HD2 LEU 45 1.645 -4.239 -8.206 386 HD23 LEU 45 2HD2 LEU 45 1.973 -3.406 -6.686 387 H LYS 46 H LYS 46 -0.276 -4.784 -2.586 388 HA LYS 46 HA LYS 46 0.083 -7.091 -0.973 389 HB2 LYS 46 2HB LYS 46 0.625 -5.020 0.030 390 HB3 LYS 46 1HB LYS 46 -0.894 -4.288 -0.455 391 HG2 LYS 46 2HG LYS 46 -2.054 -5.827 1.134 392 HG3 LYS 46 1HG LYS 46 -0.464 -6.331 1.706 393 HD2 LYS 46 2HD LYS 46 -0.725 -4.653 3.187 394 HD3 LYS 46 1HD LYS 46 -0.243 -3.624 1.836 395 HE2 LYS 46 2HE LYS 46 -3.103 -4.355 2.434 396 HE3 LYS 46 1HE LYS 46 -2.321 -2.906 3.065 397 HZ1 LYS 46 3HZ LYS 46 -2.642 -3.567 0.186 398 HZ2 LYS 46 1HZ LYS 46 -1.930 -2.163 0.809 399 HZ3 LYS 46 2HZ LYS 46 -3.580 -2.452 1.046 400 H ASP 47 H ASP 47 -2.809 -5.070 -1.497 401 HA ASP 47 HA ASP 47 -4.623 -6.803 -0.256 402 HB2 ASP 47 2HB ASP 47 -4.757 -4.412 -1.912 403 HB3 ASP 47 1HB ASP 47 -6.088 -5.516 -2.251 404 H GLU 48 H GLU 48 -3.287 -6.759 -3.478 405 HA GLU 48 HA GLU 48 -5.134 -8.669 -4.557 406 HB2 GLU 48 2HB GLU 48 -3.803 -6.910 -5.854 407 HB3 GLU 48 1HB GLU 48 -2.426 -7.990 -5.689 408 HG2 GLU 48 2HG GLU 48 -3.213 -9.447 -7.211 409 HG3 GLU 48 1HG GLU 48 -4.892 -9.214 -6.728 410 H ILE 49 H ILE 49 -1.664 -8.814 -3.670 411 HA ILE 49 HA ILE 49 -1.350 -11.535 -4.165 412 HB ILE 49 HB ILE 49 0.580 -10.077 -3.758 413 HG12 ILE 49 2HG1 ILE 49 1.880 -11.711 -2.483 414 HG13 ILE 49 1HG1 ILE 49 0.404 -12.395 -1.825 415 HG21 ILE 49 1HG2 ILE 49 -0.617 -9.002 -1.702 416 HG22 ILE 49 2HG2 ILE 49 1.141 -9.123 -1.763 417 HG23 ILE 49 3HG2 ILE 49 0.205 -10.285 -0.817 418 HD11 ILE 49 3HD1 ILE 49 1.626 -13.518 -3.841 419 HD12 ILE 49 1HD1 ILE 49 0.746 -12.308 -4.775 420 HD13 ILE 49 2HD1 ILE 49 -0.138 -13.460 -3.773 421 H LEU 50 H LEU 50 -2.947 -9.950 -1.539 422 HA LEU 50 HA LEU 50 -2.864 -12.280 0.169 423 HG LEU 50 HG LEU 50 -4.093 -12.026 2.308 424 HB2 LEU 50 2HB LEU 50 -3.290 -9.637 0.671 425 HB3 LEU 50 1HB LEU 50 -4.940 -10.241 0.657 426 HD11 LEU 50 1HD1 LEU 50 -2.193 -10.692 3.673 427 HD12 LEU 50 2HD1 LEU 50 -1.758 -10.269 2.019 428 HD13 LEU 50 3HD1 LEU 50 -1.853 -11.961 2.499 429 HD21 LEU 50 3HD2 LEU 50 -4.355 -9.112 3.028 430 HD22 LEU 50 1HD2 LEU 50 -4.340 -10.420 4.211 431 HD23 LEU 50 2HD2 LEU 50 -5.626 -10.333 3.007 432 H THR 51 H THR 51 -5.034 -10.771 -2.132 433 HA THR 51 HA THR 51 -7.337 -12.283 -1.680 434 HB THR 51 HB THR 51 -6.231 -11.039 -4.197 435 HG1 THR 51 1HG THR 51 -8.180 -10.284 -2.297 436 HG21 THR 51 3HG2 THR 51 -7.715 -12.729 -4.985 437 HG22 THR 51 1HG2 THR 51 -8.539 -11.173 -5.095 438 HG23 THR 51 2HG2 THR 51 -8.926 -12.289 -3.789 439 H PHE 52 H PHE 52 -4.309 -13.167 -3.138 440 HA PHE 52 HA PHE 52 -5.407 -15.546 -4.378 441 HD1 PHE 52 2HD PHE 52 -2.248 -14.732 -2.281 442 HD2 PHE 52 1HD PHE 52 -1.554 -16.449 -6.109 443 HE1 PHE 52 2HE PHE 52 -0.074 -15.583 -1.495 444 HE2 PHE 52 1HE PHE 52 0.613 -17.312 -5.333 445 HZ PHE 52 HZ PHE 52 1.357 -16.878 -3.026 446 HB2 PHE 52 2HB PHE 52 -3.585 -15.472 -5.682 447 HB3 PHE 52 1HB PHE 52 -3.230 -13.924 -4.935 448 H THR 53 H THR 53 -5.235 -14.966 -1.356 449 HA THR 53 HA THR 53 -4.567 -17.680 -0.633 450 HB THR 53 HB THR 53 -2.424 -16.267 -0.479 451 HG1 THR 53 1HG THR 53 -3.317 -17.615 1.848 452 HG21 THR 53 3HG2 THR 53 -2.231 -14.575 0.929 453 HG22 THR 53 1HG2 THR 53 -2.977 -15.493 2.235 454 HG23 THR 53 2HG2 THR 53 -3.985 -14.609 1.095 455 H VAL 54 H VAL 54 -7.039 -16.882 -0.617 456 HA VAL 54 HA VAL 54 -7.642 -16.344 2.214 457 HB VAL 54 HB VAL 54 -9.328 -15.385 -0.098 458 HG11 VAL 54 1HG1 VAL 54 -10.105 -15.861 2.447 459 HG12 VAL 54 2HG1 VAL 54 -10.820 -14.626 1.411 460 HG13 VAL 54 3HG1 VAL 54 -9.570 -14.185 2.577 461 HG21 VAL 54 3HG2 VAL 54 -7.370 -13.854 1.612 462 HG22 VAL 54 1HG2 VAL 54 -8.523 -13.126 0.493 463 HG23 VAL 54 2HG2 VAL 54 -7.242 -14.168 -0.116 464 H THR 55 H THR 55 -8.299 -18.246 2.987 465 HA THR 55 HA THR 55 -10.246 -19.786 1.402 466 HB THR 55 HB THR 55 -9.478 -21.769 2.693 467 HG1 THR 55 1HG THR 55 -7.500 -21.530 3.847 468 HG21 THR 55 3HG2 THR 55 -8.369 -21.889 0.730 469 HG22 THR 55 1HG2 THR 55 -6.989 -21.615 1.787 470 HG23 THR 55 2HG2 THR 55 -7.690 -20.271 0.885 471 H GLU 56 H GLU 56 -11.019 -17.615 3.029 472 HA GLU 56 HA GLU 56 -11.808 -18.323 5.621 473 HB2 GLU 56 2HB GLU 56 -12.034 -16.077 3.975 474 HB3 GLU 56 1HB GLU 56 -13.696 -16.523 4.344 475 HG2 GLU 56 2HG GLU 56 -13.331 -16.305 6.669 476 HG3 GLU 56 1HG GLU 56 -11.581 -16.200 6.456 Start of MODEL 2 1 HA THR 1 HA THR 1 16.527 17.195 1.447 2 HB THR 1 HB THR 1 15.888 18.894 3.318 3 HG1 THR 1 1HG THR 1 14.578 20.218 2.042 4 H1 THR 1 1HT THR 1 15.720 17.660 -0.638 5 H2 THR 1 2HT THR 1 16.563 19.069 -0.161 6 H3 THR 1 3HT THR 1 14.845 19.034 -0.114 7 HG21 THR 1 1HG2 THR 1 18.061 19.269 1.310 8 HG22 THR 1 2HG2 THR 1 18.164 18.718 2.986 9 HG23 THR 1 3HG2 THR 1 17.851 20.413 2.635 10 H THR 2 H THR 2 15.322 16.328 3.264 11 HA THR 2 HA THR 2 12.445 16.651 3.277 12 HB THR 2 HB THR 2 12.341 14.006 3.156 13 HG1 THR 2 1HG THR 2 14.449 13.542 2.768 14 HG21 THR 2 3HG2 THR 2 11.835 14.109 0.771 15 HG22 THR 2 1HG2 THR 2 12.524 15.733 0.703 16 HG23 THR 2 2HG2 THR 2 11.077 15.429 1.663 17 H TYR 3 H TYR 3 15.125 14.602 4.410 18 HA TYR 3 HA TYR 3 15.515 13.605 6.431 19 HD1 TYR 3 2HD TYR 3 13.270 16.296 8.899 20 HD2 TYR 3 1HD TYR 3 15.609 17.613 5.604 21 HE1 TYR 3 2HE TYR 3 11.939 18.363 8.793 22 HE2 TYR 3 1HE TYR 3 14.284 19.685 5.482 23 HH TYR 3 HH TYR 3 11.373 20.087 6.890 24 HB2 TYR 3 2HB TYR 3 15.394 15.233 8.354 25 HB3 TYR 3 1HB TYR 3 16.346 15.762 6.977 26 H LYS 4 H LYS 4 12.809 13.239 5.384 27 HA LYS 4 HA LYS 4 11.644 12.002 7.644 28 HB2 LYS 4 2HB LYS 4 11.114 14.590 7.787 29 HB3 LYS 4 1HB LYS 4 9.854 14.169 6.641 30 HG2 LYS 4 2HG LYS 4 10.213 12.750 9.271 31 HG3 LYS 4 1HG LYS 4 9.199 14.187 9.077 32 HD2 LYS 4 2HD LYS 4 8.886 11.635 7.496 33 HD3 LYS 4 1HD LYS 4 7.948 12.043 8.935 34 HE2 LYS 4 2HE LYS 4 7.897 14.208 7.037 35 HE3 LYS 4 1HE LYS 4 7.376 12.706 6.272 36 HZ1 LYS 4 3HZ LYS 4 5.712 14.247 7.583 37 HZ2 LYS 4 1HZ LYS 4 6.270 13.352 8.903 38 HZ3 LYS 4 2HZ LYS 4 5.550 12.569 7.590 39 H LEU 5 H LEU 5 10.722 13.550 4.570 40 HA LEU 5 HA LEU 5 9.682 12.745 2.716 41 HG LEU 5 HG LEU 5 11.200 11.992 1.413 42 HB2 LEU 5 2HB LEU 5 11.046 10.381 3.833 43 HB3 LEU 5 1HB LEU 5 9.742 10.033 2.725 44 HD11 LEU 5 1HD1 LEU 5 13.176 12.020 2.503 45 HD12 LEU 5 2HD1 LEU 5 13.479 10.597 1.506 46 HD13 LEU 5 3HD1 LEU 5 12.950 10.401 3.177 47 HD21 LEU 5 3HD2 LEU 5 11.728 10.256 -0.140 48 HD22 LEU 5 1HD2 LEU 5 10.126 9.921 0.517 49 HD23 LEU 5 2HD2 LEU 5 11.524 9.021 1.090 50 H ILE 6 H ILE 6 7.562 12.756 2.402 51 HA ILE 6 HA ILE 6 5.854 11.330 4.333 52 HB ILE 6 HB ILE 6 5.063 13.689 2.627 53 HG12 ILE 6 2HG1 ILE 6 5.474 13.844 5.583 54 HG13 ILE 6 1HG1 ILE 6 6.859 13.993 4.508 55 HG21 ILE 6 1HG2 ILE 6 3.604 13.005 5.092 56 HG22 ILE 6 2HG2 ILE 6 3.442 11.866 3.757 57 HG23 ILE 6 3HG2 ILE 6 3.001 13.555 3.529 58 HD11 ILE 6 3HD1 ILE 6 5.077 15.991 5.300 59 HD12 ILE 6 1HD1 ILE 6 4.738 15.684 3.604 60 HD13 ILE 6 2HD1 ILE 6 6.370 16.107 4.106 61 H LEU 7 H LEU 7 5.641 9.382 3.302 62 HA LEU 7 HA LEU 7 4.166 9.441 0.758 63 HG LEU 7 HG LEU 7 7.012 9.833 0.938 64 HB2 LEU 7 2HB LEU 7 5.998 7.165 1.326 65 HB3 LEU 7 1HB LEU 7 5.444 7.788 -0.213 66 HD11 LEU 7 1HD1 LEU 7 8.333 8.682 2.357 67 HD12 LEU 7 2HD1 LEU 7 9.164 8.204 0.877 68 HD13 LEU 7 3HD1 LEU 7 7.974 7.134 1.604 69 HD21 LEU 7 3HD2 LEU 7 8.146 8.008 -1.114 70 HD22 LEU 7 1HD2 LEU 7 8.082 9.769 -1.070 71 HD23 LEU 7 2HD2 LEU 7 6.640 8.851 -1.493 72 H ASN 8 H ASN 8 2.996 7.339 0.354 73 HA ASN 8 HA ASN 8 1.946 6.335 2.916 74 HB2 ASN 8 2HB ASN 8 -0.111 5.756 1.548 75 HB3 ASN 8 1HB ASN 8 0.200 7.467 1.784 76 HD21 ASN 8 1HD2 ASN 8 -1.121 5.689 -0.345 77 HD22 ASN 8 2HD2 ASN 8 -0.500 6.319 -1.827 78 H LEU 9 H LEU 9 4.052 5.406 0.642 79 HA LEU 9 HA LEU 9 3.079 2.720 0.197 80 HG LEU 9 HG LEU 9 6.216 4.587 0.376 81 HB2 LEU 9 2HB LEU 9 4.971 2.408 -1.187 82 HB3 LEU 9 1HB LEU 9 4.360 4.022 -1.508 83 HD11 LEU 9 1HD1 LEU 9 8.191 3.141 -0.758 84 HD12 LEU 9 2HD1 LEU 9 6.878 1.963 -0.770 85 HD13 LEU 9 3HD1 LEU 9 7.385 2.703 0.750 86 HD21 LEU 9 3HD2 LEU 9 6.125 4.571 -2.571 87 HD22 LEU 9 1HD2 LEU 9 7.723 4.769 -1.847 88 HD23 LEU 9 2HD2 LEU 9 6.428 5.899 -1.449 89 H LYS 10 H LYS 10 5.445 4.368 2.193 90 HA LYS 10 HA LYS 10 6.951 2.254 3.129 91 HB2 LYS 10 2HB LYS 10 6.851 4.901 3.688 92 HB3 LYS 10 1HB LYS 10 6.148 4.247 5.162 93 HG2 LYS 10 2HG LYS 10 8.096 2.999 5.650 94 HG3 LYS 10 1HG LYS 10 8.766 3.290 4.043 95 HD2 LYS 10 2HD LYS 10 9.913 4.929 5.075 96 HD3 LYS 10 1HD LYS 10 8.404 5.832 4.922 97 HE2 LYS 10 2HE LYS 10 7.866 4.593 7.200 98 HE3 LYS 10 1HE LYS 10 9.623 4.544 7.302 99 HZ1 LYS 10 3HZ LYS 10 8.442 7.102 6.579 100 HZ2 LYS 10 1HZ LYS 10 9.754 6.763 7.595 101 HZ3 LYS 10 2HZ LYS 10 8.174 6.585 8.169 102 H GLN 11 H GLN 11 3.736 3.294 4.049 103 HA GLN 11 HA GLN 11 3.563 1.264 6.124 104 HB2 GLN 11 2HB GLN 11 2.171 3.730 5.488 105 HB3 GLN 11 1HB GLN 11 1.039 2.420 5.797 106 HG2 GLN 11 2HG GLN 11 1.762 2.139 7.980 107 HG3 GLN 11 1HG GLN 11 3.298 2.949 7.680 108 HE21 GLN 11 1HE2 GLN 11 2.463 3.958 9.757 109 HE22 GLN 11 2HE2 GLN 11 1.543 5.411 9.584 110 H ALA 12 H ALA 12 2.433 1.917 2.888 111 HA ALA 12 HA ALA 12 0.424 -0.032 2.723 112 HB1 ALA 12 1HB ALA 12 0.223 0.698 0.622 113 HB2 ALA 12 2HB ALA 12 1.896 0.295 0.241 114 HB3 ALA 12 3HB ALA 12 1.514 1.838 1.000 115 H LYS 13 H LYS 13 3.916 -0.204 2.296 116 HA LYS 13 HA LYS 13 3.760 -3.001 1.551 117 HB2 LYS 13 2HB LYS 13 5.940 -2.875 0.886 118 HB3 LYS 13 1HB LYS 13 5.492 -1.187 0.732 119 HG2 LYS 13 2HG LYS 13 6.584 -1.874 3.361 120 HG3 LYS 13 1HG LYS 13 7.696 -2.131 2.020 121 HD2 LYS 13 2HD LYS 13 6.814 0.239 1.282 122 HD3 LYS 13 1HD LYS 13 6.462 0.387 3.004 123 HE2 LYS 13 2HE LYS 13 8.610 1.228 2.889 124 HE3 LYS 13 1HE LYS 13 8.903 -0.460 3.305 125 HZ1 LYS 13 3HZ LYS 13 9.042 -0.760 0.758 126 HZ2 LYS 13 1HZ LYS 13 10.367 -0.105 1.584 127 HZ3 LYS 13 2HZ LYS 13 9.314 0.909 0.732 128 H GLU 14 H GLU 14 4.643 -1.054 4.344 129 HA GLU 14 HA GLU 14 5.764 -3.069 5.936 130 HB2 GLU 14 2HB GLU 14 4.355 -0.491 6.510 131 HB3 GLU 14 1HB GLU 14 4.676 -1.594 7.840 132 HG2 GLU 14 2HG GLU 14 6.948 -0.997 6.052 133 HG3 GLU 14 1HG GLU 14 6.370 0.323 7.069 134 H GLU 15 H GLU 15 2.405 -1.935 5.685 135 HA GLU 15 HA GLU 15 1.314 -3.893 7.422 136 HB2 GLU 15 2HB GLU 15 0.163 -1.768 6.736 137 HB3 GLU 15 1HB GLU 15 -0.065 -2.467 5.136 138 HG2 GLU 15 2HG GLU 15 -1.273 -4.369 6.312 139 HG3 GLU 15 1HG GLU 15 -1.285 -3.330 7.736 140 H ALA 16 H ALA 16 2.110 -3.759 4.035 141 HA ALA 16 HA ALA 16 0.721 -6.073 3.215 142 HB1 ALA 16 1HB ALA 16 2.010 -5.943 1.202 143 HB2 ALA 16 2HB ALA 16 3.205 -4.903 1.977 144 HB3 ALA 16 3HB ALA 16 1.572 -4.310 1.686 145 H ILE 17 H ILE 17 3.947 -5.501 4.527 146 HA ILE 17 HA ILE 17 5.053 -8.032 4.065 147 HB ILE 17 HB ILE 17 5.526 -6.087 6.334 148 HG12 ILE 17 2HG1 ILE 17 6.248 -5.202 4.218 149 HG13 ILE 17 1HG1 ILE 17 7.681 -5.716 5.099 150 HG21 ILE 17 1HG2 ILE 17 6.424 -7.858 7.394 151 HG22 ILE 17 2HG2 ILE 17 7.770 -7.596 6.288 152 HG23 ILE 17 3HG2 ILE 17 6.548 -8.813 5.917 153 HD11 ILE 17 3HD1 ILE 17 6.337 -7.136 2.818 154 HD12 ILE 17 1HD1 ILE 17 7.646 -7.824 3.779 155 HD13 ILE 17 2HD1 ILE 17 7.923 -6.367 2.826 156 H LYS 18 H LYS 18 3.184 -6.770 6.806 157 HA LYS 18 HA LYS 18 3.114 -9.178 8.279 158 HB2 LYS 18 2HB LYS 18 1.214 -6.823 8.251 159 HB3 LYS 18 1HB LYS 18 1.146 -8.132 9.423 160 HG2 LYS 18 2HG LYS 18 3.259 -7.537 10.333 161 HG3 LYS 18 1HG LYS 18 3.564 -6.391 9.026 162 HD2 LYS 18 2HD LYS 18 2.364 -4.775 10.015 163 HD3 LYS 18 1HD LYS 18 1.073 -5.889 10.471 164 HE2 LYS 18 2HE LYS 18 1.996 -6.345 12.503 165 HE3 LYS 18 1HE LYS 18 3.646 -6.108 11.928 166 HZ1 LYS 18 3HZ LYS 18 2.860 -4.383 13.490 167 HZ2 LYS 18 1HZ LYS 18 1.710 -3.900 12.356 168 HZ3 LYS 18 2HZ LYS 18 3.356 -3.758 12.000 169 H GLU 19 H GLU 19 1.188 -7.885 5.668 170 HA GLU 19 HA GLU 19 -1.025 -9.602 5.788 171 HB2 GLU 19 2HB GLU 19 0.160 -7.754 3.867 172 HB3 GLU 19 1HB GLU 19 -0.601 -9.123 3.080 173 HG2 GLU 19 2HG GLU 19 -2.204 -7.382 3.216 174 HG3 GLU 19 1HG GLU 19 -2.668 -8.625 4.382 175 H LEU 20 H LEU 20 1.965 -9.879 3.876 176 HA LEU 20 HA LEU 20 1.300 -12.509 2.958 177 HG LEU 20 HG LEU 20 2.634 -13.433 1.402 178 HB2 LEU 20 2HB LEU 20 2.906 -10.623 1.971 179 HB3 LEU 20 1HB LEU 20 4.107 -11.520 2.878 180 HD11 LEU 20 1HD1 LEU 20 2.598 -12.715 -0.798 181 HD12 LEU 20 2HD1 LEU 20 3.667 -11.351 -0.478 182 HD13 LEU 20 3HD1 LEU 20 1.998 -11.314 0.087 183 HD21 LEU 20 3HD2 LEU 20 5.217 -12.615 0.302 184 HD22 LEU 20 1HD2 LEU 20 4.697 -14.172 0.945 185 HD23 LEU 20 2HD2 LEU 20 5.237 -12.902 2.042 186 H VAL 21 H VAL 21 3.183 -11.166 5.591 187 HA VAL 21 HA VAL 21 4.583 -13.515 6.297 188 HB VAL 21 HB VAL 21 3.785 -11.112 7.941 189 HG11 VAL 21 1HG1 VAL 21 5.788 -12.163 9.376 190 HG12 VAL 21 2HG1 VAL 21 5.063 -13.651 8.765 191 HG13 VAL 21 3HG1 VAL 21 4.089 -12.514 9.697 192 HG21 VAL 21 3HG2 VAL 21 5.796 -10.211 7.411 193 HG22 VAL 21 1HG2 VAL 21 5.605 -11.229 5.984 194 HG23 VAL 21 2HG2 VAL 21 6.602 -11.778 7.331 195 H ASP 22 H ASP 22 1.357 -12.372 6.945 196 HA ASP 22 HA ASP 22 0.882 -14.511 8.851 197 HB2 ASP 22 2HB ASP 22 -0.327 -11.957 8.295 198 HB3 ASP 22 1HB ASP 22 -1.555 -13.216 8.233 199 H ALA 23 H ALA 23 -0.017 -13.559 5.572 200 HA ALA 23 HA ALA 23 -1.806 -15.786 5.220 201 HB1 ALA 23 1HB ALA 23 -2.437 -14.023 3.888 202 HB2 ALA 23 2HB ALA 23 -1.540 -15.015 2.739 203 HB3 ALA 23 3HB ALA 23 -0.775 -13.604 3.470 204 H GLY 24 H GLY 24 1.567 -15.361 5.061 205 HA2 GLY 24 2HA GLY 24 3.293 -16.595 4.152 206 HA3 GLY 24 1HA GLY 24 2.337 -17.927 4.791 207 H ILE 25 H ILE 25 3.201 -16.114 1.918 208 HA ILE 25 HA ILE 25 2.954 -18.345 0.238 209 HB ILE 25 HB ILE 25 1.066 -17.090 -1.207 210 HG12 ILE 25 2HG1 ILE 25 -0.760 -16.340 0.174 211 HG13 ILE 25 1HG1 ILE 25 0.109 -16.764 1.640 212 HG21 ILE 25 1HG2 ILE 25 -0.078 -19.001 -0.926 213 HG22 ILE 25 2HG2 ILE 25 -0.075 -18.868 0.832 214 HG23 ILE 25 3HG2 ILE 25 1.345 -19.493 -0.007 215 HD11 ILE 25 3HD1 ILE 25 -0.023 -14.300 0.931 216 HD12 ILE 25 1HD1 ILE 25 1.216 -14.734 -0.246 217 HD13 ILE 25 2HD1 ILE 25 1.524 -14.945 1.478 218 H ALA 26 H ALA 26 4.028 -18.050 -1.608 219 HA ALA 26 HA ALA 26 5.635 -17.063 -2.915 220 HB1 ALA 26 1HB ALA 26 4.659 -15.355 -4.431 221 HB2 ALA 26 2HB ALA 26 3.223 -15.331 -3.403 222 HB3 ALA 26 3HB ALA 26 3.668 -16.808 -4.256 223 H GLU 27 H GLU 27 7.189 -16.284 -1.470 224 HA GLU 27 HA GLU 27 7.007 -13.809 -0.123 225 HB2 GLU 27 2HB GLU 27 8.794 -15.892 -0.119 226 HB3 GLU 27 1HB GLU 27 9.713 -14.637 -0.938 227 HG2 GLU 27 2HG GLU 27 10.188 -13.705 1.004 228 HG3 GLU 27 1HG GLU 27 8.471 -13.462 1.319 229 H LYS 28 H LYS 28 7.880 -14.724 -3.339 230 HA LYS 28 HA LYS 28 9.334 -12.622 -4.321 231 HB2 LYS 28 2HB LYS 28 8.990 -14.192 -5.948 232 HB3 LYS 28 1HB LYS 28 7.331 -14.496 -5.462 233 HG2 LYS 28 2HG LYS 28 6.738 -13.438 -7.308 234 HG3 LYS 28 1HG LYS 28 7.223 -11.946 -6.506 235 HD2 LYS 28 2HD LYS 28 9.486 -12.194 -7.420 236 HD3 LYS 28 1HD LYS 28 8.984 -13.675 -8.241 237 HE2 LYS 28 2HE LYS 28 7.349 -12.413 -9.537 238 HE3 LYS 28 1HE LYS 28 7.813 -10.932 -8.700 239 HZ1 LYS 28 3HZ LYS 28 9.947 -10.994 -9.689 240 HZ2 LYS 28 1HZ LYS 28 8.835 -11.253 -10.938 241 HZ3 LYS 28 2HZ LYS 28 9.710 -12.553 -10.301 242 H TYR 29 H TYR 29 5.817 -12.755 -3.865 243 HA TYR 29 HA TYR 29 5.298 -10.202 -4.925 244 HD1 TYR 29 1HD TYR 29 3.676 -13.252 -5.610 245 HD2 TYR 29 2HD TYR 29 2.195 -9.321 -4.931 246 HE1 TYR 29 1HE TYR 29 2.438 -13.359 -7.732 247 HE2 TYR 29 2HE TYR 29 0.951 -9.419 -7.050 248 HH TYR 29 HH TYR 29 0.980 -10.602 -9.149 249 HB2 TYR 29 2HB TYR 29 3.800 -12.208 -3.388 250 HB3 TYR 29 1HB TYR 29 3.260 -10.542 -3.154 251 H ILE 30 H ILE 30 6.327 -11.313 -1.791 252 HA ILE 30 HA ILE 30 5.797 -8.988 -0.299 253 HB ILE 30 HB ILE 30 6.809 -11.439 0.318 254 HG12 ILE 30 2HG1 ILE 30 7.060 -8.921 1.973 255 HG13 ILE 30 1HG1 ILE 30 5.613 -9.915 1.821 256 HG21 ILE 30 1HG2 ILE 30 9.066 -10.509 -0.569 257 HG22 ILE 30 2HG2 ILE 30 9.033 -11.427 0.936 258 HG23 ILE 30 3HG2 ILE 30 9.121 -9.666 0.979 259 HD11 ILE 30 3HD1 ILE 30 8.034 -11.324 2.715 260 HD12 ILE 30 1HD1 ILE 30 6.365 -11.456 3.270 261 HD13 ILE 30 2HD1 ILE 30 7.379 -10.125 3.831 262 H LYS 31 H LYS 31 8.207 -9.783 -2.652 263 HA LYS 31 HA LYS 31 10.014 -7.667 -1.953 264 HB2 LYS 31 2HB LYS 31 10.895 -9.649 -3.027 265 HB3 LYS 31 1HB LYS 31 9.841 -9.418 -4.413 266 HG2 LYS 31 2HG LYS 31 11.182 -7.044 -4.348 267 HG3 LYS 31 1HG LYS 31 12.411 -8.175 -3.771 268 HD2 LYS 31 2HD LYS 31 12.028 -9.583 -5.744 269 HD3 LYS 31 1HD LYS 31 10.815 -8.439 -6.322 270 HE2 LYS 31 2HE LYS 31 12.379 -6.849 -6.869 271 HE3 LYS 31 1HE LYS 31 13.549 -7.439 -5.689 272 HZ1 LYS 31 3HZ LYS 31 13.086 -8.291 -8.428 273 HZ2 LYS 31 1HZ LYS 31 13.426 -9.524 -7.319 274 HZ3 LYS 31 2HZ LYS 31 14.521 -8.253 -7.534 275 H LEU 32 H LEU 32 7.388 -8.095 -4.317 276 HA LEU 32 HA LEU 32 7.908 -5.750 -5.784 277 HG LEU 32 HG LEU 32 5.636 -8.467 -4.950 278 HB2 LEU 32 2HB LEU 32 5.063 -6.146 -5.589 279 HB3 LEU 32 1HB LEU 32 6.121 -6.307 -6.983 280 HD11 LEU 32 1HD1 LEU 32 4.311 -9.527 -6.763 281 HD12 LEU 32 2HD1 LEU 32 4.417 -8.013 -7.660 282 HD13 LEU 32 3HD1 LEU 32 3.585 -8.061 -6.105 283 HD21 LEU 32 3HD2 LEU 32 6.811 -9.915 -6.406 284 HD22 LEU 32 1HD2 LEU 32 7.813 -8.474 -6.240 285 HD23 LEU 32 2HD2 LEU 32 6.841 -8.710 -7.692 286 H ILE 33 H ILE 33 6.328 -6.300 -2.737 287 HA ILE 33 HA ILE 33 5.453 -3.525 -2.551 288 HB ILE 33 HB ILE 33 4.734 -4.305 -0.196 289 HG12 ILE 33 2HG1 ILE 33 5.010 -6.982 -1.565 290 HG13 ILE 33 1HG1 ILE 33 6.046 -6.407 -0.265 291 HG21 ILE 33 1HG2 ILE 33 3.477 -4.210 -2.653 292 HG22 ILE 33 2HG2 ILE 33 2.697 -4.338 -1.077 293 HG23 ILE 33 3HG2 ILE 33 3.038 -5.795 -2.012 294 HD11 ILE 33 3HD1 ILE 33 4.217 -6.379 1.254 295 HD12 ILE 33 1HD1 ILE 33 4.287 -7.957 0.473 296 HD13 ILE 33 2HD1 ILE 33 3.084 -6.775 -0.039 297 H ALA 34 H ALA 34 7.642 -5.767 -0.893 298 HA ALA 34 HA ALA 34 8.595 -3.990 1.041 299 HB1 ALA 34 1HB ALA 34 10.085 -6.285 -0.226 300 HB2 ALA 34 2HB ALA 34 8.947 -6.424 1.114 301 HB3 ALA 34 3HB ALA 34 10.449 -5.525 1.323 302 H ASN 35 H ASN 35 9.392 -4.389 -2.324 303 HA ASN 35 HA ASN 35 11.768 -2.743 -2.142 304 HB2 ASN 35 2HB ASN 35 11.852 -4.576 -3.692 305 HB3 ASN 35 1HB ASN 35 10.365 -4.049 -4.481 306 HD21 ASN 35 1HD2 ASN 35 13.757 -3.368 -3.997 307 HD22 ASN 35 2HD2 ASN 35 13.944 -2.331 -5.367 308 H ALA 36 H ALA 36 8.422 -2.253 -2.559 309 HA ALA 36 HA ALA 36 7.154 -0.418 -3.029 310 HB1 ALA 36 1HB ALA 36 9.680 1.173 -2.604 311 HB2 ALA 36 2HB ALA 36 8.712 0.507 -1.287 312 HB3 ALA 36 3HB ALA 36 8.014 1.704 -2.379 313 H LYS 37 H LYS 37 8.588 2.067 -4.241 314 HA LYS 37 HA LYS 37 9.418 2.773 -6.294 315 HB2 LYS 37 2HB LYS 37 10.078 0.283 -6.693 316 HB3 LYS 37 1HB LYS 37 8.580 0.213 -7.622 317 HG2 LYS 37 2HG LYS 37 9.843 0.862 -9.341 318 HG3 LYS 37 1HG LYS 37 9.755 2.467 -8.615 319 HD2 LYS 37 2HD LYS 37 11.909 2.424 -7.949 320 HD3 LYS 37 1HD LYS 37 11.848 0.712 -7.523 321 HE2 LYS 37 2HE LYS 37 12.393 0.026 -9.647 322 HE3 LYS 37 1HE LYS 37 11.747 1.482 -10.400 323 HZ1 LYS 37 3HZ LYS 37 14.165 1.413 -10.494 324 HZ2 LYS 37 1HZ LYS 37 14.249 1.339 -8.805 325 HZ3 LYS 37 2HZ LYS 37 13.637 2.720 -9.561 326 H THR 38 H THR 38 6.413 1.148 -5.737 327 HA THR 38 HA THR 38 5.048 3.205 -7.293 328 HB THR 38 HB THR 38 4.073 0.380 -7.528 329 HG1 THR 38 1HG THR 38 5.982 0.009 -8.406 330 HG21 THR 38 3HG2 THR 38 2.509 1.686 -8.532 331 HG22 THR 38 1HG2 THR 38 3.590 1.415 -9.899 332 HG23 THR 38 2HG2 THR 38 3.674 2.926 -8.994 333 H VAL 39 H VAL 39 4.591 4.024 -5.178 334 HA VAL 39 HA VAL 39 3.521 2.829 -2.994 335 HB VAL 39 HB VAL 39 3.942 5.243 -3.131 336 HG11 VAL 39 1HG1 VAL 39 1.294 5.504 -4.529 337 HG12 VAL 39 2HG1 VAL 39 2.837 5.500 -5.382 338 HG13 VAL 39 3HG1 VAL 39 2.486 6.760 -4.202 339 HG21 VAL 39 3HG2 VAL 39 1.125 5.282 -2.316 340 HG22 VAL 39 1HG2 VAL 39 2.581 5.649 -1.391 341 HG23 VAL 39 2HG2 VAL 39 2.074 3.972 -1.609 342 H GLU 40 H GLU 40 1.621 3.838 -5.843 343 HA GLU 40 HA GLU 40 -0.872 2.997 -4.858 344 HB2 GLU 40 2HB GLU 40 0.207 3.892 -7.407 345 HB3 GLU 40 1HB GLU 40 -0.987 2.619 -7.625 346 HG2 GLU 40 2HG GLU 40 -2.690 3.875 -6.688 347 HG3 GLU 40 1HG GLU 40 -1.569 4.946 -5.853 348 H GLY 41 H GLY 41 1.601 1.306 -6.755 349 HA2 GLY 41 2HA GLY 41 0.133 -1.118 -7.005 350 HA3 GLY 41 1HA GLY 41 1.868 -0.933 -7.222 351 H VAL 42 H VAL 42 2.692 -0.087 -4.741 352 HA VAL 42 HA VAL 42 3.118 -2.352 -3.282 353 HB VAL 42 HB VAL 42 2.705 0.359 -2.012 354 HG11 VAL 42 1HG1 VAL 42 3.249 -2.038 -0.830 355 HG12 VAL 42 2HG1 VAL 42 3.687 -0.461 -0.171 356 HG13 VAL 42 3HG1 VAL 42 4.868 -1.389 -1.100 357 HG21 VAL 42 3HG2 VAL 42 4.779 -0.621 -3.860 358 HG22 VAL 42 1HG2 VAL 42 5.366 0.212 -2.420 359 HG23 VAL 42 2HG2 VAL 42 4.249 1.025 -3.515 360 H TRP 43 H TRP 43 0.389 -0.125 -3.008 361 HA TRP 43 HA TRP 43 -0.839 -1.586 -0.859 362 HD1 TRP 43 HD TRP 43 -2.014 0.802 1.150 363 HE1 TRP 43 1HE TRP 43 -4.352 0.381 2.139 364 HE3 TRP 43 3HE TRP 43 -4.370 -0.924 -3.045 365 HZ2 TRP 43 2HZ TRP 43 -6.864 -0.557 1.257 366 HZ3 TRP 43 3HZ TRP 43 -6.741 -1.563 -2.888 367 HH2 TRP 43 HH TRP 43 -7.960 -1.382 -0.781 368 HB2 TRP 43 2HB TRP 43 -1.082 0.913 -1.299 369 HB3 TRP 43 1HB TRP 43 -2.171 0.476 -2.612 370 H THR 44 H THR 44 -1.064 -1.528 -4.362 371 HA THR 44 HA THR 44 -3.506 -3.064 -4.425 372 HB THR 44 HB THR 44 -1.624 -2.814 -6.754 373 HG1 THR 44 1HG THR 44 -1.799 -0.743 -6.661 374 HG21 THR 44 3HG2 THR 44 -3.484 -4.039 -7.392 375 HG22 THR 44 1HG2 THR 44 -3.876 -2.396 -7.900 376 HG23 THR 44 2HG2 THR 44 -4.585 -3.056 -6.426 377 H LEU 45 H LEU 45 -0.076 -3.745 -4.974 378 HA LEU 45 HA LEU 45 -0.363 -6.451 -5.665 379 HB2 LEU 45 2HB LEU 45 2.013 -5.424 -4.150 380 HB3 LEU 45 1HB LEU 45 1.957 -6.633 -5.417 381 HD11 LEU 45 1HD1 LEU 45 3.867 -3.855 -6.678 382 HD12 LEU 45 2HD1 LEU 45 3.831 -4.666 -5.112 383 HD13 LEU 45 3HD1 LEU 45 3.134 -3.055 -5.288 384 HD21 LEU 45 3HD2 LEU 45 2.988 -5.512 -7.773 385 HD22 LEU 45 1HD2 LEU 45 1.625 -4.493 -8.237 386 HD23 LEU 45 2HD2 LEU 45 1.338 -6.094 -7.556 387 H LYS 46 H LYS 46 -0.191 -4.781 -2.602 388 HA LYS 46 HA LYS 46 0.169 -7.069 -0.963 389 HB2 LYS 46 2HB LYS 46 0.720 -4.993 0.011 390 HB3 LYS 46 1HB LYS 46 -0.796 -4.258 -0.479 391 HG2 LYS 46 2HG LYS 46 -1.958 -5.774 1.134 392 HG3 LYS 46 1HG LYS 46 -0.368 -6.275 1.708 393 HD2 LYS 46 2HD LYS 46 -0.494 -4.557 3.134 394 HD3 LYS 46 1HD LYS 46 -0.233 -3.512 1.735 395 HE2 LYS 46 2HE LYS 46 -2.953 -4.123 1.686 396 HE3 LYS 46 1HE LYS 46 -2.582 -3.836 3.386 397 HZ1 LYS 46 3HZ LYS 46 -1.341 -1.777 2.365 398 HZ2 LYS 46 1HZ LYS 46 -2.998 -1.723 2.703 399 HZ3 LYS 46 2HZ LYS 46 -2.465 -1.990 1.120 400 H ASP 47 H ASP 47 -2.721 -5.043 -1.476 401 HA ASP 47 HA ASP 47 -4.535 -6.756 -0.218 402 HB2 ASP 47 2HB ASP 47 -4.670 -4.293 -1.508 403 HB3 ASP 47 1HB ASP 47 -5.712 -5.331 -2.475 404 H GLU 48 H GLU 48 -3.177 -6.780 -3.422 405 HA GLU 48 HA GLU 48 -5.029 -8.692 -4.492 406 HB2 GLU 48 2HB GLU 48 -3.746 -6.994 -5.847 407 HB3 GLU 48 1HB GLU 48 -2.304 -7.962 -5.568 408 HG2 GLU 48 2HG GLU 48 -4.677 -9.338 -6.683 409 HG3 GLU 48 1HG GLU 48 -3.803 -8.226 -7.736 410 H ILE 49 H ILE 49 -1.571 -8.842 -3.573 411 HA ILE 49 HA ILE 49 -1.278 -11.580 -3.994 412 HB ILE 49 HB ILE 49 0.666 -10.132 -3.650 413 HG12 ILE 49 2HG1 ILE 49 1.979 -11.715 -2.382 414 HG13 ILE 49 1HG1 ILE 49 0.548 -12.307 -1.556 415 HG21 ILE 49 1HG2 ILE 49 0.281 -10.192 -0.701 416 HG22 ILE 49 2HG2 ILE 49 -0.515 -8.944 -1.657 417 HG23 ILE 49 3HG2 ILE 49 1.241 -9.094 -1.697 418 HD11 ILE 49 3HD1 ILE 49 1.074 -12.582 -4.502 419 HD12 ILE 49 1HD1 ILE 49 -0.295 -13.246 -3.614 420 HD13 ILE 49 2HD1 ILE 49 1.336 -13.840 -3.297 421 H LEU 50 H LEU 50 -2.849 -9.894 -1.420 422 HA LEU 50 HA LEU 50 -2.779 -12.145 0.385 423 HG LEU 50 HG LEU 50 -4.202 -11.776 2.482 424 HB2 LEU 50 2HB LEU 50 -3.128 -9.513 0.812 425 HB3 LEU 50 1HB LEU 50 -4.810 -10.015 0.733 426 HD11 LEU 50 1HD1 LEU 50 -2.175 -10.441 3.800 427 HD12 LEU 50 2HD1 LEU 50 -1.660 -10.443 2.113 428 HD13 LEU 50 3HD1 LEU 50 -2.031 -11.964 2.924 429 HD21 LEU 50 3HD2 LEU 50 -4.188 -8.825 3.083 430 HD22 LEU 50 1HD2 LEU 50 -4.315 -10.072 4.323 431 HD23 LEU 50 2HD2 LEU 50 -5.567 -9.924 3.090 432 H THR 51 H THR 51 -4.951 -10.741 -1.972 433 HA THR 51 HA THR 51 -7.227 -12.308 -1.376 434 HB THR 51 HB THR 51 -6.346 -10.805 -3.833 435 HG1 THR 51 1HG THR 51 -8.427 -10.361 -1.961 436 HG21 THR 51 3HG2 THR 51 -8.633 -11.026 -4.695 437 HG22 THR 51 1HG2 THR 51 -8.975 -12.213 -3.436 438 HG23 THR 51 2HG2 THR 51 -7.765 -12.563 -4.670 439 H PHE 52 H PHE 52 -4.256 -13.167 -2.881 440 HA PHE 52 HA PHE 52 -5.467 -15.363 -4.346 441 HD1 PHE 52 1HD PHE 52 -2.264 -14.654 -2.296 442 HD2 PHE 52 2HD PHE 52 -1.627 -16.229 -6.194 443 HE1 PHE 52 1HE PHE 52 -0.066 -15.504 -1.587 444 HE2 PHE 52 2HE PHE 52 0.564 -17.100 -5.489 445 HZ PHE 52 HZ PHE 52 1.347 -16.738 -3.183 446 HB2 PHE 52 2HB PHE 52 -3.662 -15.294 -5.686 447 HB3 PHE 52 1HB PHE 52 -3.307 -13.769 -4.895 448 H THR 53 H THR 53 -5.536 -15.269 -1.443 449 HA THR 53 HA THR 53 -5.104 -17.971 -0.900 450 HB THR 53 HB THR 53 -2.887 -16.129 -0.012 451 HG1 THR 53 1HG THR 53 -2.107 -17.234 -1.630 452 HG21 THR 53 3HG2 THR 53 -2.251 -18.465 1.196 453 HG22 THR 53 1HG2 THR 53 -3.988 -18.389 1.491 454 HG23 THR 53 2HG2 THR 53 -2.946 -17.067 2.018 455 H VAL 54 H VAL 54 -7.302 -17.117 -0.389 456 HA VAL 54 HA VAL 54 -7.392 -16.306 2.430 457 HB VAL 54 HB VAL 54 -9.297 -15.293 0.321 458 HG11 VAL 54 1HG1 VAL 54 -9.980 -13.735 2.153 459 HG12 VAL 54 2HG1 VAL 54 -8.982 -14.684 3.255 460 HG13 VAL 54 3HG1 VAL 54 -10.364 -15.427 2.456 461 HG21 VAL 54 3HG2 VAL 54 -8.212 -13.156 0.499 462 HG22 VAL 54 1HG2 VAL 54 -7.004 -14.373 0.083 463 HG23 VAL 54 2HG2 VAL 54 -7.116 -13.770 1.737 464 H THR 55 H THR 55 -8.454 -17.740 3.624 465 HA THR 55 HA THR 55 -10.623 -19.287 2.369 466 HB THR 55 HB THR 55 -9.084 -20.573 4.552 467 HG1 THR 55 1HG THR 55 -7.274 -20.558 3.534 468 HG21 THR 55 3HG2 THR 55 -11.017 -21.565 3.153 469 HG22 THR 55 1HG2 THR 55 -9.607 -22.557 3.512 470 HG23 THR 55 2HG2 THR 55 -9.772 -21.804 1.924 471 H GLU 56 H GLU 56 -12.422 -18.480 3.257 472 HA GLU 56 HA GLU 56 -13.977 -17.877 4.801 473 HB2 GLU 56 2HB GLU 56 -12.238 -19.711 6.431 474 HB3 GLU 56 1HB GLU 56 -13.635 -18.912 7.136 475 HG2 GLU 56 2HG GLU 56 -13.801 -20.616 4.671 476 HG3 GLU 56 1HG GLU 56 -13.989 -21.257 6.299 Start of MODEL 3 1 HA THR 1 HA THR 1 -1.712 24.405 -0.716 2 HB THR 1 HB THR 1 -3.317 26.271 -0.512 3 HG1 THR 1 1HG THR 1 -2.077 25.741 1.297 4 H1 THR 1 1HT THR 1 -2.749 24.972 -2.637 5 H2 THR 1 2HT THR 1 -4.263 24.336 -2.139 6 H3 THR 1 3HT THR 1 -2.979 23.272 -2.546 7 HG21 THR 1 1HG2 THR 1 -5.274 24.262 -0.452 8 HG22 THR 1 2HG2 THR 1 -5.498 26.002 -0.316 9 HG23 THR 1 3HG2 THR 1 -5.277 25.021 1.134 10 H THR 2 H THR 2 -1.149 22.774 0.572 11 HA THR 2 HA THR 2 -3.091 21.027 1.784 12 HB THR 2 HB THR 2 -1.872 18.973 0.788 13 HG1 THR 2 1HG THR 2 -1.369 20.853 -1.267 14 HG21 THR 2 3HG2 THR 2 -3.583 20.483 -1.155 15 HG22 THR 2 1HG2 THR 2 -4.229 19.665 0.274 16 HG23 THR 2 2HG2 THR 2 -3.404 18.733 -0.974 17 H TYR 3 H TYR 3 0.354 21.244 0.905 18 HA TYR 3 HA TYR 3 2.252 21.053 2.140 19 HD1 TYR 3 2HD TYR 3 3.712 20.935 4.622 20 HD2 TYR 3 1HD TYR 3 1.803 24.582 3.525 21 HE1 TYR 3 2HE TYR 3 5.832 22.138 4.955 22 HE2 TYR 3 1HE TYR 3 3.918 25.794 3.854 23 HH TYR 3 HH TYR 3 6.015 25.540 5.054 24 HB2 TYR 3 2HB TYR 3 0.545 22.658 3.612 25 HB3 TYR 3 1HB TYR 3 1.053 21.443 4.783 26 H LYS 4 H LYS 4 0.240 18.760 1.897 27 HA LYS 4 HA LYS 4 1.708 16.940 3.595 28 HB2 LYS 4 2HB LYS 4 -0.175 17.748 5.027 29 HB3 LYS 4 1HB LYS 4 -1.300 17.101 3.847 30 HG2 LYS 4 2HG LYS 4 -1.031 15.589 5.729 31 HG3 LYS 4 1HG LYS 4 -0.442 14.855 4.241 32 HD2 LYS 4 2HD LYS 4 1.581 16.337 5.769 33 HD3 LYS 4 1HD LYS 4 0.938 14.913 6.583 34 HE2 LYS 4 2HE LYS 4 1.350 13.963 4.068 35 HE3 LYS 4 1HE LYS 4 2.661 15.129 4.211 36 HZ1 LYS 4 3HZ LYS 4 3.689 13.375 5.158 37 HZ2 LYS 4 1HZ LYS 4 2.250 12.621 5.633 38 HZ3 LYS 4 2HZ LYS 4 2.877 13.902 6.547 39 H LEU 5 H LEU 5 2.344 16.361 1.393 40 HA LEU 5 HA LEU 5 0.880 14.107 0.465 41 HG LEU 5 HG LEU 5 -1.184 14.646 -0.053 42 HB2 LEU 5 2HB LEU 5 0.652 16.700 -0.986 43 HB3 LEU 5 1HB LEU 5 0.789 15.231 -1.935 44 HD11 LEU 5 1HD1 LEU 5 -1.979 17.254 -1.279 45 HD12 LEU 5 2HD1 LEU 5 -1.087 17.236 0.245 46 HD13 LEU 5 3HD1 LEU 5 -2.644 16.419 0.124 47 HD21 LEU 5 3HD2 LEU 5 -1.057 15.238 -2.961 48 HD22 LEU 5 1HD2 LEU 5 -2.649 15.173 -2.205 49 HD23 LEU 5 2HD2 LEU 5 -1.572 13.774 -2.119 50 H ILE 6 H ILE 6 2.814 13.020 0.681 51 HA ILE 6 HA ILE 6 4.853 13.694 -1.330 52 HB ILE 6 HB ILE 6 6.554 12.735 0.304 53 HG12 ILE 6 2HG1 ILE 6 4.240 13.223 2.190 54 HG13 ILE 6 1HG1 ILE 6 5.085 11.706 1.907 55 HG21 ILE 6 1HG2 ILE 6 7.035 14.857 1.163 56 HG22 ILE 6 2HG2 ILE 6 5.332 15.292 1.276 57 HG23 ILE 6 3HG2 ILE 6 6.109 15.189 -0.296 58 HD11 ILE 6 3HD1 ILE 6 7.099 12.633 2.910 59 HD12 ILE 6 1HD1 ILE 6 5.729 12.699 4.018 60 HD13 ILE 6 2HD1 ILE 6 6.255 14.157 3.185 61 H LEU 7 H LEU 7 3.605 11.144 0.812 62 HA LEU 7 HA LEU 7 3.140 9.224 -1.084 63 HG LEU 7 HG LEU 7 6.302 10.310 0.288 64 HB2 LEU 7 2HB LEU 7 5.169 7.727 -0.720 65 HB3 LEU 7 1HB LEU 7 5.360 9.082 -1.802 66 HD11 LEU 7 1HD1 LEU 7 6.062 9.019 2.118 67 HD12 LEU 7 2HD1 LEU 7 7.600 8.357 1.563 68 HD13 LEU 7 3HD1 LEU 7 6.093 7.517 1.195 69 HD21 LEU 7 3HD2 LEU 7 7.519 9.530 -1.793 70 HD22 LEU 7 1HD2 LEU 7 7.979 8.108 -0.873 71 HD23 LEU 7 2HD2 LEU 7 8.494 9.701 -0.334 72 H ASN 8 H ASN 8 2.948 7.012 -0.186 73 HA ASN 8 HA ASN 8 3.057 6.789 2.707 74 HB2 ASN 8 2HB ASN 8 0.789 7.830 1.929 75 HB3 ASN 8 1HB ASN 8 0.412 6.188 1.418 76 HD21 ASN 8 1HD2 ASN 8 -0.900 7.730 3.439 77 HD22 ASN 8 2HD2 ASN 8 -0.725 6.871 4.926 78 H LEU 9 H LEU 9 4.427 5.473 0.576 79 HA LEU 9 HA LEU 9 3.224 2.853 0.297 80 HG LEU 9 HG LEU 9 6.242 4.852 0.095 81 HB2 LEU 9 2HB LEU 9 5.244 2.311 -1.004 82 HB3 LEU 9 1HB LEU 9 4.414 3.740 -1.599 83 HD11 LEU 9 1HD1 LEU 9 8.297 3.447 -1.080 84 HD12 LEU 9 2HD1 LEU 9 7.168 2.187 -0.580 85 HD13 LEU 9 3HD1 LEU 9 7.789 3.335 0.604 86 HD21 LEU 9 3HD2 LEU 9 6.178 5.917 -1.895 87 HD22 LEU 9 1HD2 LEU 9 6.006 4.418 -2.811 88 HD23 LEU 9 2HD2 LEU 9 7.595 4.920 -2.231 89 H LYS 10 H LYS 10 5.740 4.400 2.168 90 HA LYS 10 HA LYS 10 7.196 2.253 3.088 91 HB2 LYS 10 2HB LYS 10 6.792 4.980 3.857 92 HB3 LYS 10 1HB LYS 10 6.789 3.984 5.306 93 HG2 LYS 10 2HG LYS 10 8.932 3.263 3.491 94 HG3 LYS 10 1HG LYS 10 9.004 4.957 3.977 95 HD2 LYS 10 2HD LYS 10 10.281 3.556 5.513 96 HD3 LYS 10 1HD LYS 10 8.898 4.285 6.325 97 HE2 LYS 10 2HE LYS 10 8.998 2.018 7.027 98 HE3 LYS 10 1HE LYS 10 7.646 2.154 5.904 99 HZ1 LYS 10 3HZ LYS 10 9.659 1.512 4.257 100 HZ2 LYS 10 1HZ LYS 10 8.603 0.385 4.948 101 HZ3 LYS 10 2HZ LYS 10 10.114 0.670 5.652 102 H GLN 11 H GLN 11 4.051 3.404 4.142 103 HA GLN 11 HA GLN 11 3.890 1.360 6.200 104 HB2 GLN 11 2HB GLN 11 2.701 3.908 5.774 105 HB3 GLN 11 1HB GLN 11 1.405 2.721 5.826 106 HG2 GLN 11 2HG GLN 11 2.598 1.878 7.964 107 HG3 GLN 11 1HG GLN 11 3.373 3.457 7.935 108 HE21 GLN 11 1HE2 GLN 11 1.312 5.024 6.997 109 HE22 GLN 11 2HE2 GLN 11 0.039 5.058 8.161 110 H ALA 12 H ALA 12 2.638 2.075 3.023 111 HA ALA 12 HA ALA 12 0.558 0.197 2.939 112 HB1 ALA 12 1HB ALA 12 0.292 0.927 0.841 113 HB2 ALA 12 2HB ALA 12 1.953 0.531 0.401 114 HB3 ALA 12 3HB ALA 12 1.593 2.061 1.199 115 H LYS 13 H LYS 13 4.020 -0.090 2.351 116 HA LYS 13 HA LYS 13 3.734 -2.870 1.580 117 HB2 LYS 13 2HB LYS 13 5.894 -2.827 0.840 118 HB3 LYS 13 1HB LYS 13 5.488 -1.129 0.690 119 HG2 LYS 13 2HG LYS 13 6.669 -1.836 3.278 120 HG3 LYS 13 1HG LYS 13 7.716 -2.122 1.890 121 HD2 LYS 13 2HD LYS 13 6.821 0.280 1.206 122 HD3 LYS 13 1HD LYS 13 6.628 0.421 2.955 123 HE2 LYS 13 2HE LYS 13 8.789 1.245 2.480 124 HE3 LYS 13 1HE LYS 13 9.027 -0.371 3.147 125 HZ1 LYS 13 3HZ LYS 13 9.544 0.626 0.469 126 HZ2 LYS 13 1HZ LYS 13 8.874 -0.925 0.553 127 HZ3 LYS 13 2HZ LYS 13 10.330 -0.589 1.344 128 H GLU 14 H GLU 14 4.809 -0.996 4.357 129 HA GLU 14 HA GLU 14 5.922 -3.065 5.876 130 HB2 GLU 14 2HB GLU 14 4.600 -0.463 6.548 131 HB3 GLU 14 1HB GLU 14 4.957 -1.596 7.844 132 HG2 GLU 14 2HG GLU 14 7.193 -1.116 6.019 133 HG3 GLU 14 1HG GLU 14 6.656 0.309 6.907 134 H GLU 15 H GLU 15 2.592 -1.836 5.768 135 HA GLU 15 HA GLU 15 1.499 -3.777 7.518 136 HB2 GLU 15 2HB GLU 15 0.358 -1.647 6.904 137 HB3 GLU 15 1HB GLU 15 0.128 -2.275 5.275 138 HG2 GLU 15 2HG GLU 15 -1.354 -3.952 6.030 139 HG3 GLU 15 1HG GLU 15 -0.942 -3.657 7.717 140 H ALA 16 H ALA 16 2.141 -3.623 4.090 141 HA ALA 16 HA ALA 16 0.700 -5.906 3.302 142 HB1 ALA 16 1HB ALA 16 1.540 -4.175 1.746 143 HB2 ALA 16 2HB ALA 16 1.982 -5.811 1.266 144 HB3 ALA 16 3HB ALA 16 3.180 -4.762 2.024 145 H ILE 17 H ILE 17 3.978 -5.422 4.523 146 HA ILE 17 HA ILE 17 5.018 -7.970 4.034 147 HB ILE 17 HB ILE 17 5.565 -6.085 6.339 148 HG12 ILE 17 2HG1 ILE 17 6.239 -5.118 4.249 149 HG13 ILE 17 1HG1 ILE 17 7.693 -5.691 5.056 150 HG21 ILE 17 1HG2 ILE 17 7.704 -7.434 6.550 151 HG22 ILE 17 2HG2 ILE 17 6.901 -8.669 5.578 152 HG23 ILE 17 3HG2 ILE 17 6.229 -8.199 7.140 153 HD11 ILE 17 3HD1 ILE 17 6.247 -7.017 2.778 154 HD12 ILE 17 1HD1 ILE 17 7.612 -7.721 3.643 155 HD13 ILE 17 2HD1 ILE 17 7.823 -6.226 2.731 156 H LYS 18 H LYS 18 3.202 -6.702 6.806 157 HA LYS 18 HA LYS 18 3.129 -9.106 8.279 158 HB2 LYS 18 2HB LYS 18 1.266 -6.726 8.256 159 HB3 LYS 18 1HB LYS 18 1.140 -8.047 9.409 160 HG2 LYS 18 2HG LYS 18 3.691 -7.435 9.802 161 HG3 LYS 18 1HG LYS 18 3.132 -5.865 9.227 162 HD2 LYS 18 2HD LYS 18 1.343 -5.923 10.938 163 HD3 LYS 18 1HD LYS 18 2.016 -7.436 11.548 164 HE2 LYS 18 2HE LYS 18 3.169 -6.100 12.926 165 HE3 LYS 18 1HE LYS 18 4.221 -5.859 11.536 166 HZ1 LYS 18 3HZ LYS 18 1.892 -4.117 11.749 167 HZ2 LYS 18 1HZ LYS 18 3.453 -3.774 11.197 168 HZ3 LYS 18 2HZ LYS 18 3.147 -3.852 12.860 169 H GLU 19 H GLU 19 1.185 -7.824 5.677 170 HA GLU 19 HA GLU 19 -1.017 -9.563 5.828 171 HB2 GLU 19 2HB GLU 19 0.001 -7.577 4.025 172 HB3 GLU 19 1HB GLU 19 -0.479 -8.986 3.095 173 HG2 GLU 19 2HG GLU 19 -2.330 -7.504 3.190 174 HG3 GLU 19 1HG GLU 19 -2.696 -8.887 4.223 175 H LEU 20 H LEU 20 1.941 -9.776 3.859 176 HA LEU 20 HA LEU 20 1.300 -12.377 2.876 177 HG LEU 20 HG LEU 20 2.660 -13.220 1.269 178 HB2 LEU 20 2HB LEU 20 3.041 -10.423 2.112 179 HB3 LEU 20 1HB LEU 20 4.133 -11.571 2.860 180 HD11 LEU 20 1HD1 LEU 20 3.092 -11.541 -0.908 181 HD12 LEU 20 2HD1 LEU 20 2.247 -10.549 0.281 182 HD13 LEU 20 3HD1 LEU 20 1.542 -12.073 -0.258 183 HD21 LEU 20 3HD2 LEU 20 4.893 -12.028 -0.165 184 HD22 LEU 20 1HD2 LEU 20 4.670 -13.676 0.419 185 HD23 LEU 20 2HD2 LEU 20 5.280 -12.431 1.508 186 H VAL 21 H VAL 21 3.203 -11.140 5.564 187 HA VAL 21 HA VAL 21 4.509 -13.546 6.244 188 HB VAL 21 HB VAL 21 3.725 -11.208 7.993 189 HG11 VAL 21 1HG1 VAL 21 5.804 -12.315 9.288 190 HG12 VAL 21 2HG1 VAL 21 5.053 -13.767 8.628 191 HG13 VAL 21 3HG1 VAL 21 4.120 -12.684 9.660 192 HG21 VAL 21 3HG2 VAL 21 5.670 -10.214 7.423 193 HG22 VAL 21 1HG2 VAL 21 5.511 -11.210 5.976 194 HG23 VAL 21 2HG2 VAL 21 6.541 -11.745 7.304 195 H ASP 22 H ASP 22 1.310 -12.318 6.876 196 HA ASP 22 HA ASP 22 0.740 -14.464 8.743 197 HB2 ASP 22 2HB ASP 22 -0.245 -11.894 8.474 198 HB3 ASP 22 1HB ASP 22 -1.551 -12.883 7.833 199 H ALA 23 H ALA 23 0.014 -13.513 5.435 200 HA ALA 23 HA ALA 23 -1.854 -15.659 5.009 201 HB1 ALA 23 1HB ALA 23 -2.395 -14.032 3.542 202 HB2 ALA 23 2HB ALA 23 -1.240 -14.882 2.514 203 HB3 ALA 23 3HB ALA 23 -0.735 -13.449 3.410 204 H GLY 24 H GLY 24 1.539 -15.404 5.041 205 HA2 GLY 24 2HA GLY 24 3.250 -16.738 4.256 206 HA3 GLY 24 1HA GLY 24 2.181 -18.014 4.826 207 H ILE 25 H ILE 25 3.345 -16.264 2.027 208 HA ILE 25 HA ILE 25 2.745 -18.529 0.348 209 HB ILE 25 HB ILE 25 1.781 -16.203 -1.086 210 HG12 ILE 25 2HG1 ILE 25 -0.442 -16.102 0.094 211 HG13 ILE 25 1HG1 ILE 25 0.289 -16.984 1.425 212 HG21 ILE 25 1HG2 ILE 25 1.368 -18.293 -2.015 213 HG22 ILE 25 2HG2 ILE 25 -0.199 -17.808 -1.368 214 HG23 ILE 25 3HG2 ILE 25 0.797 -18.967 -0.489 215 HD11 ILE 25 3HD1 ILE 25 0.509 -14.172 0.683 216 HD12 ILE 25 1HD1 ILE 25 2.045 -14.938 1.087 217 HD13 ILE 25 2HD1 ILE 25 0.721 -14.957 2.249 218 H ALA 26 H ALA 26 3.095 -17.276 -2.148 219 HA ALA 26 HA ALA 26 5.787 -17.303 -2.530 220 HB1 ALA 26 1HB ALA 26 4.638 -17.307 -4.508 221 HB2 ALA 26 2HB ALA 26 5.229 -15.643 -4.497 222 HB3 ALA 26 3HB ALA 26 3.566 -15.996 -4.017 223 H GLU 27 H GLU 27 7.035 -16.251 -1.026 224 HA GLU 27 HA GLU 27 6.710 -13.695 -0.023 225 HB2 GLU 27 2HB GLU 27 9.099 -15.447 -0.444 226 HB3 GLU 27 1HB GLU 27 9.339 -13.787 0.083 227 HG2 GLU 27 2HG GLU 27 8.638 -14.215 2.160 228 HG3 GLU 27 1HG GLU 27 7.311 -15.237 1.608 229 H LYS 28 H LYS 28 7.791 -14.699 -3.138 230 HA LYS 28 HA LYS 28 9.299 -12.635 -4.099 231 HB2 LYS 28 2HB LYS 28 8.948 -14.352 -5.622 232 HB3 LYS 28 1HB LYS 28 7.217 -14.400 -5.336 233 HG2 LYS 28 2HG LYS 28 7.017 -13.377 -7.285 234 HG3 LYS 28 1HG LYS 28 7.578 -11.920 -6.467 235 HD2 LYS 28 2HD LYS 28 9.182 -11.923 -8.044 236 HD3 LYS 28 1HD LYS 28 9.935 -13.148 -7.022 237 HE2 LYS 28 2HE LYS 28 9.861 -14.521 -8.770 238 HE3 LYS 28 1HE LYS 28 8.108 -14.554 -8.578 239 HZ1 LYS 28 3HZ LYS 28 9.169 -13.870 -10.834 240 HZ2 LYS 28 1HZ LYS 28 9.340 -12.357 -10.092 241 HZ3 LYS 28 2HZ LYS 28 7.805 -13.049 -10.262 242 H TYR 29 H TYR 29 5.746 -12.712 -3.857 243 HA TYR 29 HA TYR 29 5.340 -10.168 -4.970 244 HD1 TYR 29 1HD TYR 29 3.582 -12.920 -5.954 245 HD2 TYR 29 2HD TYR 29 2.246 -9.045 -4.813 246 HE1 TYR 29 1HE TYR 29 2.374 -12.713 -8.086 247 HE2 TYR 29 2HE TYR 29 1.032 -8.829 -6.940 248 HH TYR 29 HH TYR 29 1.201 -9.818 -9.263 249 HB2 TYR 29 2HB TYR 29 3.718 -12.163 -3.621 250 HB3 TYR 29 1HB TYR 29 3.239 -10.518 -3.187 251 H ILE 30 H ILE 30 6.227 -11.243 -1.792 252 HA ILE 30 HA ILE 30 5.681 -8.897 -0.340 253 HB ILE 30 HB ILE 30 6.697 -11.361 0.309 254 HG12 ILE 30 2HG1 ILE 30 6.807 -8.844 1.979 255 HG13 ILE 30 1HG1 ILE 30 5.392 -9.867 1.754 256 HG21 ILE 30 1HG2 ILE 30 8.929 -9.487 1.009 257 HG22 ILE 30 2HG2 ILE 30 8.964 -10.453 -0.466 258 HG23 ILE 30 3HG2 ILE 30 8.886 -11.247 1.106 259 HD11 ILE 30 3HD1 ILE 30 6.593 -11.716 2.838 260 HD12 ILE 30 1HD1 ILE 30 6.410 -10.312 3.888 261 HD13 ILE 30 2HD1 ILE 30 7.960 -10.638 3.115 262 H LYS 31 H LYS 31 8.139 -9.756 -2.621 263 HA LYS 31 HA LYS 31 9.961 -7.664 -1.911 264 HB2 LYS 31 2HB LYS 31 10.804 -9.673 -2.993 265 HB3 LYS 31 1HB LYS 31 9.791 -9.377 -4.398 266 HG2 LYS 31 2HG LYS 31 11.576 -8.382 -5.276 267 HG3 LYS 31 1HG LYS 31 11.218 -7.040 -4.186 268 HD2 LYS 31 2HD LYS 31 12.609 -8.697 -2.543 269 HD3 LYS 31 1HD LYS 31 13.380 -9.034 -4.095 270 HE2 LYS 31 2HE LYS 31 14.356 -7.014 -4.185 271 HE3 LYS 31 1HE LYS 31 12.927 -6.189 -3.565 272 HZ1 LYS 31 3HZ LYS 31 14.882 -7.701 -1.918 273 HZ2 LYS 31 1HZ LYS 31 13.530 -6.865 -1.336 274 HZ3 LYS 31 2HZ LYS 31 14.808 -6.016 -2.047 275 H LEU 32 H LEU 32 7.340 -8.057 -4.277 276 HA LEU 32 HA LEU 32 7.881 -5.725 -5.757 277 HG LEU 32 HG LEU 32 5.619 -8.492 -5.062 278 HB2 LEU 32 2HB LEU 32 5.018 -6.176 -5.416 279 HB3 LEU 32 1HB LEU 32 5.986 -6.132 -6.883 280 HD11 LEU 32 1HD1 LEU 32 4.675 -8.064 -7.887 281 HD12 LEU 32 2HD1 LEU 32 3.664 -7.889 -6.454 282 HD13 LEU 32 3HD1 LEU 32 4.353 -9.460 -6.858 283 HD21 LEU 32 3HD2 LEU 32 7.864 -8.091 -6.396 284 HD22 LEU 32 1HD2 LEU 32 6.893 -8.694 -7.738 285 HD23 LEU 32 2HD2 LEU 32 7.123 -9.689 -6.300 286 H ILE 33 H ILE 33 6.275 -6.248 -2.714 287 HA ILE 33 HA ILE 33 5.483 -3.453 -2.509 288 HB ILE 33 HB ILE 33 4.752 -4.236 -0.154 289 HG12 ILE 33 2HG1 ILE 33 4.940 -6.901 -1.568 290 HG13 ILE 33 1HG1 ILE 33 5.982 -6.381 -0.247 291 HG21 ILE 33 1HG2 ILE 33 3.136 -3.620 -1.745 292 HG22 ILE 33 2HG2 ILE 33 2.650 -5.208 -1.155 293 HG23 ILE 33 3HG2 ILE 33 3.437 -5.054 -2.725 294 HD11 ILE 33 3HD1 ILE 33 4.127 -6.301 1.249 295 HD12 ILE 33 1HD1 ILE 33 4.177 -7.878 0.463 296 HD13 ILE 33 2HD1 ILE 33 3.007 -6.668 -0.065 297 H ALA 34 H ALA 34 7.594 -5.763 -0.834 298 HA ALA 34 HA ALA 34 8.593 -4.042 1.108 299 HB1 ALA 34 1HB ALA 34 10.443 -5.593 1.333 300 HB2 ALA 34 2HB ALA 34 10.066 -6.308 -0.234 301 HB3 ALA 34 3HB ALA 34 8.936 -6.481 1.110 302 H ASN 35 H ASN 35 9.344 -4.353 -2.273 303 HA ASN 35 HA ASN 35 11.708 -2.677 -2.069 304 HB2 ASN 35 2HB ASN 35 11.882 -4.491 -3.619 305 HB3 ASN 35 1HB ASN 35 10.360 -4.055 -4.398 306 HD21 ASN 35 1HD2 ASN 35 13.527 -2.645 -3.633 307 HD22 ASN 35 2HD2 ASN 35 13.718 -1.825 -5.141 308 H ALA 36 H ALA 36 8.355 -2.284 -2.514 309 HA ALA 36 HA ALA 36 7.037 -0.492 -2.998 310 HB1 ALA 36 1HB ALA 36 8.507 0.496 -1.238 311 HB2 ALA 36 2HB ALA 36 7.843 1.672 -2.371 312 HB3 ALA 36 3HB ALA 36 9.521 1.152 -2.524 313 H LYS 37 H LYS 37 8.559 2.018 -4.193 314 HA LYS 37 HA LYS 37 9.332 2.744 -6.243 315 HB2 LYS 37 2HB LYS 37 9.921 0.141 -6.564 316 HB3 LYS 37 1HB LYS 37 8.605 0.281 -7.729 317 HG2 LYS 37 2HG LYS 37 9.899 2.324 -8.615 318 HG3 LYS 37 1HG LYS 37 11.262 1.663 -7.708 319 HD2 LYS 37 2HD LYS 37 9.687 0.223 -9.846 320 HD3 LYS 37 1HD LYS 37 11.297 0.919 -10.038 321 HE2 LYS 37 2HE LYS 37 10.700 -1.154 -7.947 322 HE3 LYS 37 1HE LYS 37 11.136 -1.595 -9.599 323 HZ1 LYS 37 3HZ LYS 37 12.784 -0.499 -7.476 324 HZ2 LYS 37 1HZ LYS 37 13.072 0.133 -9.020 325 HZ3 LYS 37 2HZ LYS 37 13.201 -1.530 -8.749 326 H THR 38 H THR 38 6.348 1.133 -5.653 327 HA THR 38 HA THR 38 4.979 3.092 -7.315 328 HB THR 38 HB THR 38 4.057 0.247 -7.491 329 HG1 THR 38 1HG THR 38 5.419 -0.177 -9.125 330 HG21 THR 38 3HG2 THR 38 2.592 1.954 -8.395 331 HG22 THR 38 1HG2 THR 38 3.247 0.941 -9.683 332 HG23 THR 38 2HG2 THR 38 3.901 2.557 -9.412 333 H VAL 39 H VAL 39 4.550 3.915 -5.165 334 HA VAL 39 HA VAL 39 3.422 2.753 -3.000 335 HB VAL 39 HB VAL 39 3.866 5.156 -3.135 336 HG11 VAL 39 1HG1 VAL 39 2.784 5.369 -5.433 337 HG12 VAL 39 2HG1 VAL 39 2.525 6.683 -4.291 338 HG13 VAL 39 3HG1 VAL 39 1.252 5.499 -4.570 339 HG21 VAL 39 3HG2 VAL 39 2.499 5.535 -1.408 340 HG22 VAL 39 1HG2 VAL 39 1.874 3.913 -1.702 341 HG23 VAL 39 2HG2 VAL 39 1.053 5.312 -2.391 342 H GLU 40 H GLU 40 1.562 3.776 -5.872 343 HA GLU 40 HA GLU 40 -0.950 2.976 -4.939 344 HB2 GLU 40 2HB GLU 40 0.228 3.613 -7.573 345 HB3 GLU 40 1HB GLU 40 -1.175 2.554 -7.625 346 HG2 GLU 40 2HG GLU 40 -2.587 4.162 -6.804 347 HG3 GLU 40 1HG GLU 40 -1.290 5.044 -6.001 348 H GLY 41 H GLY 41 1.502 1.182 -6.780 349 HA2 GLY 41 2HA GLY 41 -0.024 -1.218 -6.917 350 HA3 GLY 41 1HA GLY 41 1.706 -1.073 -7.191 351 H VAL 42 H VAL 42 2.534 -0.095 -4.698 352 HA VAL 42 HA VAL 42 3.042 -2.323 -3.223 353 HB VAL 42 HB VAL 42 2.532 0.380 -1.974 354 HG11 VAL 42 1HG1 VAL 42 4.703 -1.407 -1.073 355 HG12 VAL 42 2HG1 VAL 42 3.055 -1.919 -0.699 356 HG13 VAL 42 3HG1 VAL 42 3.640 -0.352 -0.141 357 HG21 VAL 42 3HG2 VAL 42 4.696 -0.597 -3.743 358 HG22 VAL 42 1HG2 VAL 42 5.175 0.366 -2.345 359 HG23 VAL 42 2HG2 VAL 42 4.053 1.030 -3.530 360 H TRP 43 H TRP 43 0.245 -0.148 -2.794 361 HA TRP 43 HA TRP 43 -0.850 -1.838 -0.742 362 HD1 TRP 43 HD TRP 43 -3.700 -0.907 -3.391 363 HE1 TRP 43 1HE TRP 43 -4.396 0.960 -5.016 364 HE3 TRP 43 3HE TRP 43 -1.066 2.972 -1.351 365 HZ2 TRP 43 2HZ TRP 43 -3.905 3.713 -5.383 366 HZ3 TRP 43 3HZ TRP 43 -1.239 5.193 -2.397 367 HH2 TRP 43 HH TRP 43 -2.628 5.547 -4.368 368 HB2 TRP 43 2HB TRP 43 -2.658 -0.307 -0.589 369 HB3 TRP 43 1HB TRP 43 -1.203 0.648 -0.819 370 H THR 44 H THR 44 -1.138 -1.566 -4.207 371 HA THR 44 HA THR 44 -3.580 -3.086 -4.347 372 HB THR 44 HB THR 44 -1.630 -2.769 -6.622 373 HG1 THR 44 1HG THR 44 -3.539 -0.870 -5.729 374 HG21 THR 44 3HG2 THR 44 -3.260 -3.704 -7.780 375 HG22 THR 44 1HG2 THR 44 -4.248 -2.283 -7.440 376 HG23 THR 44 2HG2 THR 44 -4.335 -3.691 -6.383 377 H LEU 45 H LEU 45 -0.166 -3.803 -4.992 378 HA LEU 45 HA LEU 45 -0.479 -6.500 -5.668 379 HB2 LEU 45 2HB LEU 45 1.905 -5.346 -4.229 380 HB3 LEU 45 1HB LEU 45 1.871 -6.725 -5.312 381 HD11 LEU 45 1HD1 LEU 45 3.722 -4.113 -6.958 382 HD12 LEU 45 2HD1 LEU 45 3.699 -4.683 -5.289 383 HD13 LEU 45 3HD1 LEU 45 2.965 -3.134 -5.702 384 HD21 LEU 45 3HD2 LEU 45 1.129 -6.420 -7.562 385 HD22 LEU 45 1HD2 LEU 45 2.847 -6.056 -7.725 386 HD23 LEU 45 2HD2 LEU 45 1.646 -4.972 -8.426 387 H LYS 46 H LYS 46 -0.279 -4.861 -2.593 388 HA LYS 46 HA LYS 46 0.129 -7.157 -0.979 389 HB2 LYS 46 2HB LYS 46 0.658 -5.105 0.038 390 HB3 LYS 46 1HB LYS 46 -0.841 -4.354 -0.479 391 HG2 LYS 46 2HG LYS 46 -2.018 -5.945 1.110 392 HG3 LYS 46 1HG LYS 46 -0.418 -6.309 1.758 393 HD2 LYS 46 2HD LYS 46 -0.574 -4.505 3.054 394 HD3 LYS 46 1HD LYS 46 -0.615 -3.498 1.606 395 HE2 LYS 46 2HE LYS 46 -2.993 -3.561 1.534 396 HE3 LYS 46 1HE LYS 46 -3.059 -4.815 2.771 397 HZ1 LYS 46 3HZ LYS 46 -2.628 -3.329 4.432 398 HZ2 LYS 46 1HZ LYS 46 -3.479 -2.325 3.368 399 HZ3 LYS 46 2HZ LYS 46 -1.790 -2.254 3.431 400 H ASP 47 H ASP 47 -2.797 -5.188 -1.509 401 HA ASP 47 HA ASP 47 -4.570 -6.956 -0.240 402 HB2 ASP 47 2HB ASP 47 -4.801 -4.618 -2.032 403 HB3 ASP 47 1HB ASP 47 -6.173 -5.723 -2.067 404 H GLU 48 H GLU 48 -3.270 -6.854 -3.473 405 HA GLU 48 HA GLU 48 -5.090 -8.775 -4.570 406 HB2 GLU 48 2HB GLU 48 -3.726 -6.980 -5.822 407 HB3 GLU 48 1HB GLU 48 -2.385 -8.111 -5.705 408 HG2 GLU 48 2HG GLU 48 -3.237 -9.492 -7.261 409 HG3 GLU 48 1HG GLU 48 -4.901 -9.229 -6.740 410 H ILE 49 H ILE 49 -1.635 -8.897 -3.638 411 HA ILE 49 HA ILE 49 -1.307 -11.620 -4.149 412 HB ILE 49 HB ILE 49 0.617 -10.148 -3.761 413 HG12 ILE 49 2HG1 ILE 49 1.946 -11.780 -2.513 414 HG13 ILE 49 1HG1 ILE 49 0.480 -12.471 -1.833 415 HG21 ILE 49 1HG2 ILE 49 1.208 -9.209 -1.765 416 HG22 ILE 49 2HG2 ILE 49 0.265 -10.363 -0.817 417 HG23 ILE 49 3HG2 ILE 49 -0.550 -9.073 -1.697 418 HD11 ILE 49 3HD1 ILE 49 1.046 -12.418 -4.777 419 HD12 ILE 49 1HD1 ILE 49 -0.199 -13.333 -3.928 420 HD13 ILE 49 2HD1 ILE 49 1.505 -13.752 -3.721 421 H LEU 50 H LEU 50 -2.906 -10.032 -1.532 422 HA LEU 50 HA LEU 50 -2.808 -12.335 0.207 423 HG LEU 50 HG LEU 50 -4.092 -12.125 2.266 424 HB2 LEU 50 2HB LEU 50 -3.229 -9.725 0.710 425 HB3 LEU 50 1HB LEU 50 -4.898 -10.262 0.583 426 HD11 LEU 50 1HD1 LEU 50 -1.843 -11.760 2.537 427 HD12 LEU 50 2HD1 LEU 50 -2.500 -10.830 3.885 428 HD13 LEU 50 3HD1 LEU 50 -2.004 -10.009 2.404 429 HD21 LEU 50 3HD2 LEU 50 -5.076 -9.371 2.641 430 HD22 LEU 50 1HD2 LEU 50 -4.460 -10.175 4.084 431 HD23 LEU 50 2HD2 LEU 50 -5.770 -10.907 3.158 432 H THR 51 H THR 51 -4.956 -10.926 -2.165 433 HA THR 51 HA THR 51 -7.241 -12.481 -1.687 434 HB THR 51 HB THR 51 -6.197 -11.175 -4.199 435 HG1 THR 51 1HG THR 51 -6.860 -9.563 -2.999 436 HG21 THR 51 3HG2 THR 51 -8.524 -11.314 -5.042 437 HG22 THR 51 1HG2 THR 51 -8.878 -12.454 -3.744 438 HG23 THR 51 2HG2 THR 51 -7.686 -12.866 -4.978 439 H PHE 52 H PHE 52 -4.212 -13.290 -3.202 440 HA PHE 52 HA PHE 52 -5.316 -15.653 -4.475 441 HD1 PHE 52 1HD PHE 52 -2.185 -14.739 -2.445 442 HD2 PHE 52 2HD PHE 52 -1.397 -16.388 -6.283 443 HE1 PHE 52 1HE PHE 52 0.044 -15.436 -1.678 444 HE2 PHE 52 2HE PHE 52 0.827 -17.111 -5.520 445 HZ PHE 52 HZ PHE 52 1.552 -16.634 -3.215 446 HB2 PHE 52 2HB PHE 52 -3.509 -15.585 -5.813 447 HB3 PHE 52 1HB PHE 52 -3.224 -13.998 -5.121 448 H THR 53 H THR 53 -5.239 -15.270 -1.493 449 HA THR 53 HA THR 53 -4.269 -17.933 -0.894 450 HB THR 53 HB THR 53 -2.357 -16.300 -0.487 451 HG1 THR 53 1HG THR 53 -2.384 -18.343 0.468 452 HG21 THR 53 3HG2 THR 53 -2.605 -14.560 0.839 453 HG22 THR 53 1HG2 THR 53 -3.046 -15.630 2.166 454 HG23 THR 53 2HG2 THR 53 -4.293 -14.986 1.105 455 H VAL 54 H VAL 54 -6.829 -17.470 -1.032 456 HA VAL 54 HA VAL 54 -7.696 -17.631 1.741 457 HB VAL 54 HB VAL 54 -9.044 -15.732 -0.183 458 HG11 VAL 54 1HG1 VAL 54 -10.166 -17.070 1.911 459 HG12 VAL 54 2HG1 VAL 54 -10.717 -15.511 1.299 460 HG13 VAL 54 3HG1 VAL 54 -9.626 -15.579 2.685 461 HG21 VAL 54 3HG2 VAL 54 -8.225 -13.949 1.286 462 HG22 VAL 54 1HG2 VAL 54 -6.904 -14.843 0.538 463 HG23 VAL 54 2HG2 VAL 54 -7.327 -15.143 2.223 464 H THR 55 H THR 55 -9.571 -17.156 -1.243 465 HA THR 55 HA THR 55 -10.192 -19.948 -1.481 466 HB THR 55 HB THR 55 -12.668 -18.389 -1.090 467 HG1 THR 55 1HG THR 55 -12.525 -18.407 1.132 468 HG21 THR 55 3HG2 THR 55 -13.302 -20.527 -1.221 469 HG22 THR 55 1HG2 THR 55 -12.876 -20.562 0.489 470 HG23 THR 55 2HG2 THR 55 -11.731 -21.142 -0.720 471 H GLU 56 H GLU 56 -12.520 -19.803 -2.934 472 HA GLU 56 HA GLU 56 -11.548 -18.818 -5.437 473 HB2 GLU 56 2HB GLU 56 -12.905 -20.873 -5.247 474 HB3 GLU 56 1HB GLU 56 -14.275 -19.907 -4.724 475 HG2 GLU 56 2HG GLU 56 -14.694 -19.111 -6.808 476 HG3 GLU 56 1HG GLU 56 -13.009 -19.194 -7.299 Start of MODEL 4 1 HA THR 1 HA THR 1 13.097 20.324 0.708 2 HB THR 1 HB THR 1 11.709 22.441 0.580 3 HG1 THR 1 1HG THR 1 11.331 23.211 -1.552 4 H1 THR 1 1HT THR 1 11.974 19.847 -1.960 5 H2 THR 1 2HT THR 1 13.115 18.899 -1.081 6 H3 THR 1 3HT THR 1 13.561 20.443 -1.703 7 HG21 THR 1 1HG2 THR 1 14.331 22.015 -0.297 8 HG22 THR 1 2HG2 THR 1 13.601 23.526 0.244 9 HG23 THR 1 3HG2 THR 1 13.587 23.096 -1.472 10 H THR 2 H THR 2 10.058 20.761 -1.092 11 HA THR 2 HA THR 2 8.753 18.823 0.663 12 HB THR 2 HB THR 2 6.798 20.534 0.780 13 HG1 THR 2 1HG THR 2 7.375 22.641 0.588 14 HG21 THR 2 3HG2 THR 2 9.271 20.539 2.408 15 HG22 THR 2 1HG2 THR 2 7.617 20.116 2.858 16 HG23 THR 2 2HG2 THR 2 8.080 21.809 2.678 17 H TYR 3 H TYR 3 6.971 17.803 -0.223 18 HA TYR 3 HA TYR 3 6.518 18.344 -3.072 19 HD1 TYR 3 1HD TYR 3 8.566 15.875 -0.722 20 HD2 TYR 3 2HD TYR 3 4.472 14.892 -1.318 21 HE1 TYR 3 1HE TYR 3 8.591 14.527 1.340 22 HE2 TYR 3 2HE TYR 3 4.485 13.553 0.741 23 HH TYR 3 HH TYR 3 6.213 12.328 2.132 24 HB2 TYR 3 2HB TYR 3 5.747 15.905 -3.083 25 HB3 TYR 3 1HB TYR 3 7.473 16.194 -2.905 26 H LYS 4 H LYS 4 5.012 17.533 0.003 27 HA LYS 4 HA LYS 4 2.881 17.725 0.771 28 HB2 LYS 4 2HB LYS 4 3.298 20.086 0.098 29 HB3 LYS 4 1HB LYS 4 2.562 19.731 -1.459 30 HG2 LYS 4 2HG LYS 4 0.903 20.784 -0.157 31 HG3 LYS 4 1HG LYS 4 0.484 19.068 -0.210 32 HD2 LYS 4 2HD LYS 4 2.169 20.072 2.033 33 HD3 LYS 4 1HD LYS 4 0.438 20.414 2.052 34 HE2 LYS 4 2HE LYS 4 -0.015 18.338 2.719 35 HE3 LYS 4 1HE LYS 4 0.888 17.661 1.361 36 HZ1 LYS 4 3HZ LYS 4 2.174 16.869 3.017 37 HZ2 LYS 4 1HZ LYS 4 1.702 18.057 4.122 38 HZ3 LYS 4 2HZ LYS 4 2.880 18.407 2.961 39 H LEU 5 H LEU 5 2.755 15.481 -0.204 40 HA LEU 5 HA LEU 5 0.460 15.426 -2.037 41 HG LEU 5 HG LEU 5 1.409 15.661 -4.098 42 HB2 LEU 5 2HB LEU 5 3.049 13.932 -2.303 43 HB3 LEU 5 1HB LEU 5 1.566 13.266 -2.964 44 HD11 LEU 5 1HD1 LEU 5 3.788 15.978 -2.807 45 HD12 LEU 5 2HD1 LEU 5 3.286 16.874 -4.248 46 HD13 LEU 5 3HD1 LEU 5 4.314 15.449 -4.405 47 HD21 LEU 5 3HD2 LEU 5 1.730 13.248 -5.045 48 HD22 LEU 5 1HD2 LEU 5 3.388 13.787 -5.311 49 HD23 LEU 5 2HD2 LEU 5 2.047 14.652 -6.062 50 H ILE 6 H ILE 6 -0.323 12.982 -2.144 51 HA ILE 6 HA ILE 6 -0.615 12.131 0.653 52 HB ILE 6 HB ILE 6 -2.414 11.435 -1.667 53 HG12 ILE 6 2HG1 ILE 6 -3.369 13.263 0.449 54 HG13 ILE 6 1HG1 ILE 6 -2.157 13.939 -0.637 55 HG21 ILE 6 1HG2 ILE 6 -3.391 11.347 1.104 56 HG22 ILE 6 2HG2 ILE 6 -2.180 10.136 0.680 57 HG23 ILE 6 3HG2 ILE 6 -3.679 10.240 -0.239 58 HD11 ILE 6 3HD1 ILE 6 -3.554 13.943 -2.415 59 HD12 ILE 6 1HD1 ILE 6 -4.756 14.081 -1.134 60 HD13 ILE 6 2HD1 ILE 6 -4.430 12.509 -1.873 61 H LEU 7 H LEU 7 1.551 11.083 0.279 62 HA LEU 7 HA LEU 7 1.270 8.499 -1.102 63 HG LEU 7 HG LEU 7 2.554 8.500 -2.837 64 HB2 LEU 7 2HB LEU 7 3.495 10.390 -0.762 65 HB3 LEU 7 1HB LEU 7 3.931 8.711 -0.526 66 HD11 LEU 7 1HD1 LEU 7 3.404 11.323 -2.580 67 HD12 LEU 7 2HD1 LEU 7 2.077 10.612 -3.499 68 HD13 LEU 7 3HD1 LEU 7 3.725 10.536 -4.126 69 HD21 LEU 7 3HD2 LEU 7 4.552 7.923 -3.730 70 HD22 LEU 7 1HD2 LEU 7 5.059 8.023 -2.046 71 HD23 LEU 7 2HD2 LEU 7 5.364 9.377 -3.138 72 H ASN 8 H ASN 8 1.875 6.591 -0.054 73 HA ASN 8 HA ASN 8 2.847 6.607 2.642 74 HB2 ASN 8 2HB ASN 8 0.482 7.192 3.026 75 HB3 ASN 8 1HB ASN 8 -0.012 5.736 2.167 76 HD21 ASN 8 1HD2 ASN 8 1.642 6.949 5.009 77 HD22 ASN 8 2HD2 ASN 8 1.422 5.532 5.975 78 H LEU 9 H LEU 9 4.011 5.422 0.550 79 HA LEU 9 HA LEU 9 3.158 2.701 0.206 80 HG LEU 9 HG LEU 9 5.980 4.992 0.201 81 HB2 LEU 9 2HB LEU 9 5.244 2.427 -1.058 82 HB3 LEU 9 1HB LEU 9 4.316 3.817 -1.598 83 HD11 LEU 9 1HD1 LEU 9 8.235 3.913 -0.749 84 HD12 LEU 9 2HD1 LEU 9 7.219 2.472 -0.699 85 HD13 LEU 9 3HD1 LEU 9 7.490 3.412 0.768 86 HD21 LEU 9 3HD2 LEU 9 5.940 6.114 -1.757 87 HD22 LEU 9 1HD2 LEU 9 5.911 4.639 -2.723 88 HD23 LEU 9 2HD2 LEU 9 7.435 5.227 -2.058 89 H LYS 10 H LYS 10 5.488 4.408 2.186 90 HA LYS 10 HA LYS 10 7.058 2.319 3.102 91 HB2 LYS 10 2HB LYS 10 6.290 4.986 4.108 92 HB3 LYS 10 1HB LYS 10 6.844 3.858 5.337 93 HG2 LYS 10 2HG LYS 10 8.439 4.259 2.845 94 HG3 LYS 10 1HG LYS 10 8.543 5.420 4.170 95 HD2 LYS 10 2HD LYS 10 8.783 3.039 5.486 96 HD3 LYS 10 1HD LYS 10 9.597 2.692 3.960 97 HE2 LYS 10 2HE LYS 10 10.281 5.281 5.169 98 HE3 LYS 10 1HE LYS 10 10.770 3.872 6.109 99 HZ1 LYS 10 3HZ LYS 10 11.837 3.016 4.054 100 HZ2 LYS 10 1HZ LYS 10 12.535 4.437 4.640 101 HZ3 LYS 10 2HZ LYS 10 11.506 4.494 3.304 102 H GLN 11 H GLN 11 3.857 3.356 4.106 103 HA GLN 11 HA GLN 11 3.729 1.308 6.163 104 HB2 GLN 11 2HB GLN 11 2.565 3.817 5.879 105 HB3 GLN 11 1HB GLN 11 1.236 2.702 5.590 106 HG2 GLN 11 2HG GLN 11 1.910 1.556 7.744 107 HG3 GLN 11 1HG GLN 11 2.950 2.946 8.036 108 HE21 GLN 11 1HE2 GLN 11 1.504 3.014 9.964 109 HE22 GLN 11 2HE2 GLN 11 0.045 3.930 9.831 110 H ALA 12 H ALA 12 2.523 1.986 2.961 111 HA ALA 12 HA ALA 12 0.509 0.047 2.808 112 HB1 ALA 12 1HB ALA 12 2.259 0.812 0.487 113 HB2 ALA 12 2HB ALA 12 1.047 1.910 1.148 114 HB3 ALA 12 3HB ALA 12 0.556 0.355 0.478 115 H LYS 13 H LYS 13 3.991 -0.143 2.322 116 HA LYS 13 HA LYS 13 3.818 -2.942 1.586 117 HB2 LYS 13 2HB LYS 13 5.991 -2.828 0.890 118 HB3 LYS 13 1HB LYS 13 5.531 -1.145 0.717 119 HG2 LYS 13 2HG LYS 13 6.669 -1.774 3.340 120 HG3 LYS 13 1HG LYS 13 7.759 -2.066 1.986 121 HD2 LYS 13 2HD LYS 13 6.848 0.289 1.209 122 HD3 LYS 13 1HD LYS 13 6.557 0.475 2.940 123 HE2 LYS 13 2HE LYS 13 8.691 1.187 2.993 124 HE3 LYS 13 1HE LYS 13 9.077 -0.533 2.940 125 HZ1 LYS 13 3HZ LYS 13 8.976 1.341 0.640 126 HZ2 LYS 13 1HZ LYS 13 9.173 -0.333 0.489 127 HZ3 LYS 13 2HZ LYS 13 10.348 0.589 1.283 128 H GLU 14 H GLU 14 4.688 -0.998 4.376 129 HA GLU 14 HA GLU 14 5.854 -3.027 5.936 130 HB2 GLU 14 2HB GLU 14 4.469 -0.443 6.558 131 HB3 GLU 14 1HB GLU 14 4.843 -1.552 7.870 132 HG2 GLU 14 2HG GLU 14 7.075 -1.020 6.047 133 HG3 GLU 14 1HG GLU 14 6.502 0.382 6.949 134 H GLU 15 H GLU 15 2.499 -1.861 5.752 135 HA GLU 15 HA GLU 15 1.423 -3.802 7.513 136 HB2 GLU 15 2HB GLU 15 0.234 -1.715 6.865 137 HB3 GLU 15 1HB GLU 15 0.056 -2.351 5.235 138 HG2 GLU 15 2HG GLU 15 -1.236 -4.247 6.169 139 HG3 GLU 15 1HG GLU 15 -1.150 -3.473 7.752 140 H ALA 16 H ALA 16 2.114 -3.682 4.098 141 HA ALA 16 HA ALA 16 0.735 -6.026 3.346 142 HB1 ALA 16 1HB ALA 16 3.135 -4.780 2.014 143 HB2 ALA 16 2HB ALA 16 1.465 -4.278 1.760 144 HB3 ALA 16 3HB ALA 16 1.978 -5.894 1.287 145 H ILE 17 H ILE 17 3.985 -5.386 4.551 146 HA ILE 17 HA ILE 17 5.101 -7.906 4.027 147 HB ILE 17 HB ILE 17 6.192 -5.682 4.960 148 HG12 ILE 17 2HG1 ILE 17 8.049 -7.262 5.947 149 HG13 ILE 17 1HG1 ILE 17 7.020 -8.536 5.301 150 HG21 ILE 17 1HG2 ILE 17 6.404 -5.409 7.194 151 HG22 ILE 17 2HG2 ILE 17 6.368 -7.141 7.522 152 HG23 ILE 17 3HG2 ILE 17 4.868 -6.272 7.212 153 HD11 ILE 17 3HD1 ILE 17 8.460 -8.174 3.560 154 HD12 ILE 17 1HD1 ILE 17 8.571 -6.440 3.866 155 HD13 ILE 17 2HD1 ILE 17 7.121 -7.113 3.121 156 H LYS 18 H LYS 18 3.015 -6.723 6.560 157 HA LYS 18 HA LYS 18 3.217 -9.085 8.187 158 HB2 LYS 18 2HB LYS 18 1.264 -6.774 8.192 159 HB3 LYS 18 1HB LYS 18 1.228 -8.084 9.364 160 HG2 LYS 18 2HG LYS 18 3.862 -7.146 9.374 161 HG3 LYS 18 1HG LYS 18 2.842 -5.707 9.323 162 HD2 LYS 18 2HD LYS 18 1.505 -6.950 11.198 163 HD3 LYS 18 1HD LYS 18 3.012 -7.846 11.404 164 HE2 LYS 18 2HE LYS 18 3.580 -6.167 12.776 165 HE3 LYS 18 1HE LYS 18 3.913 -5.279 11.290 166 HZ1 LYS 18 3HZ LYS 18 2.295 -4.380 13.175 167 HZ2 LYS 18 1HZ LYS 18 1.164 -5.226 12.247 168 HZ3 LYS 18 2HZ LYS 18 2.089 -3.997 11.542 169 H GLU 19 H GLU 19 1.186 -7.876 5.624 170 HA GLU 19 HA GLU 19 -0.980 -9.637 5.801 171 HB2 GLU 19 2HB GLU 19 0.066 -7.719 3.923 172 HB3 GLU 19 1HB GLU 19 -0.473 -9.149 3.061 173 HG2 GLU 19 2HG GLU 19 -2.258 -7.555 3.158 174 HG3 GLU 19 1HG GLU 19 -2.670 -8.946 4.163 175 H LEU 20 H LEU 20 1.985 -9.887 3.844 176 HA LEU 20 HA LEU 20 1.363 -12.506 2.914 177 HG LEU 20 HG LEU 20 2.770 -13.395 1.338 178 HB2 LEU 20 2HB LEU 20 3.136 -10.568 2.157 179 HB3 LEU 20 1HB LEU 20 4.199 -11.735 2.917 180 HD11 LEU 20 1HD1 LEU 20 3.127 -11.492 -0.765 181 HD12 LEU 20 2HD1 LEU 20 2.017 -10.842 0.442 182 HD13 LEU 20 3HD1 LEU 20 1.687 -12.402 -0.311 183 HD21 LEU 20 3HD2 LEU 20 4.753 -13.741 0.356 184 HD22 LEU 20 1HD2 LEU 20 5.351 -12.556 1.517 185 HD23 LEU 20 2HD2 LEU 20 4.927 -12.050 -0.118 186 H VAL 21 H VAL 21 3.258 -11.228 5.603 187 HA VAL 21 HA VAL 21 4.533 -13.631 6.335 188 HB VAL 21 HB VAL 21 3.788 -11.197 7.952 189 HG11 VAL 21 1HG1 VAL 21 5.271 -13.665 8.845 190 HG12 VAL 21 2HG1 VAL 21 3.807 -12.974 9.545 191 HG13 VAL 21 3HG1 VAL 21 5.343 -12.121 9.694 192 HG21 VAL 21 3HG2 VAL 21 5.901 -10.444 7.563 193 HG22 VAL 21 1HG2 VAL 21 5.679 -11.397 6.098 194 HG23 VAL 21 2HG2 VAL 21 6.580 -12.067 7.457 195 H ASP 22 H ASP 22 1.336 -12.377 6.900 196 HA ASP 22 HA ASP 22 0.711 -14.504 8.770 197 HB2 ASP 22 2HB ASP 22 -0.656 -12.030 7.833 198 HB3 ASP 22 1HB ASP 22 -1.676 -13.357 8.380 199 H ALA 23 H ALA 23 0.116 -13.571 5.444 200 HA ALA 23 HA ALA 23 -1.771 -15.677 4.932 201 HB1 ALA 23 1HB ALA 23 -2.175 -14.059 3.411 202 HB2 ALA 23 2HB ALA 23 -0.973 -14.942 2.469 203 HB3 ALA 23 3HB ALA 23 -0.499 -13.513 3.386 204 H GLY 24 H GLY 24 1.616 -15.502 5.164 205 HA2 GLY 24 2HA GLY 24 3.346 -16.865 4.474 206 HA3 GLY 24 1HA GLY 24 2.239 -18.110 5.040 207 H ILE 25 H ILE 25 3.421 -16.377 2.212 208 HA ILE 25 HA ILE 25 3.129 -18.707 0.595 209 HB ILE 25 HB ILE 25 1.763 -17.074 -1.130 210 HG12 ILE 25 2HG1 ILE 25 -0.292 -16.408 0.203 211 HG13 ILE 25 1HG1 ILE 25 0.683 -16.607 1.653 212 HG21 ILE 25 1HG2 ILE 25 0.930 -19.297 0.683 213 HG22 ILE 25 2HG2 ILE 25 1.197 -19.310 -1.060 214 HG23 ILE 25 3HG2 ILE 25 -0.240 -18.534 -0.394 215 HD11 ILE 25 3HD1 ILE 25 0.690 -14.473 -0.358 216 HD12 ILE 25 1HD1 ILE 25 2.278 -14.984 0.214 217 HD13 ILE 25 2HD1 ILE 25 1.064 -14.419 1.364 218 H ALA 26 H ALA 26 3.329 -17.721 -1.922 219 HA ALA 26 HA ALA 26 5.843 -17.316 -2.533 220 HB1 ALA 26 1HB ALA 26 3.461 -15.966 -3.740 221 HB2 ALA 26 2HB ALA 26 4.408 -17.320 -4.354 222 HB3 ALA 26 3HB ALA 26 5.081 -15.688 -4.384 223 H GLU 27 H GLU 27 7.174 -16.272 -1.117 224 HA GLU 27 HA GLU 27 6.751 -13.740 -0.019 225 HB2 GLU 27 2HB GLU 27 8.636 -15.658 0.319 226 HB3 GLU 27 1HB GLU 27 9.556 -14.476 -0.604 227 HG2 GLU 27 2HG GLU 27 9.876 -13.273 1.217 228 HG3 GLU 27 1HG GLU 27 8.135 -13.098 1.430 229 H LYS 28 H LYS 28 7.807 -14.721 -3.144 230 HA LYS 28 HA LYS 28 9.268 -12.652 -4.148 231 HB2 LYS 28 2HB LYS 28 8.902 -14.327 -5.692 232 HB3 LYS 28 1HB LYS 28 7.196 -14.465 -5.307 233 HG2 LYS 28 2HG LYS 28 6.812 -13.429 -7.217 234 HG3 LYS 28 1HG LYS 28 7.399 -11.956 -6.449 235 HD2 LYS 28 2HD LYS 28 8.597 -12.211 -8.492 236 HD3 LYS 28 1HD LYS 28 9.709 -12.603 -7.180 237 HE2 LYS 28 2HE LYS 28 10.120 -14.350 -8.602 238 HE3 LYS 28 1HE LYS 28 8.838 -15.045 -7.611 239 HZ1 LYS 28 3HZ LYS 28 8.057 -15.507 -9.682 240 HZ2 LYS 28 1HZ LYS 28 8.754 -14.140 -10.394 241 HZ3 LYS 28 2HZ LYS 28 7.347 -13.989 -9.470 242 H TYR 29 H TYR 29 5.727 -12.729 -3.807 243 HA TYR 29 HA TYR 29 5.273 -10.193 -4.915 244 HD1 TYR 29 1HD TYR 29 3.599 -13.222 -5.560 245 HD2 TYR 29 2HD TYR 29 2.191 -9.248 -4.990 246 HE1 TYR 29 1HE TYR 29 2.390 -13.351 -7.697 247 HE2 TYR 29 2HE TYR 29 0.975 -9.368 -7.126 248 HH TYR 29 HH TYR 29 0.542 -12.308 -8.832 249 HB2 TYR 29 2HB TYR 29 3.712 -12.135 -3.362 250 HB3 TYR 29 1HB TYR 29 3.201 -10.455 -3.167 251 H ILE 30 H ILE 30 6.241 -11.243 -1.744 252 HA ILE 30 HA ILE 30 5.720 -8.879 -0.314 253 HB ILE 30 HB ILE 30 6.697 -11.318 0.387 254 HG12 ILE 30 2HG1 ILE 30 7.025 -8.774 1.988 255 HG13 ILE 30 1HG1 ILE 30 5.525 -9.680 1.819 256 HG21 ILE 30 1HG2 ILE 30 8.922 -11.308 1.028 257 HG22 ILE 30 2HG2 ILE 30 9.032 -9.549 0.985 258 HG23 ILE 30 3HG2 ILE 30 8.969 -10.465 -0.519 259 HD11 ILE 30 3HD1 ILE 30 6.752 -11.642 2.826 260 HD12 ILE 30 1HD1 ILE 30 6.429 -10.281 3.902 261 HD13 ILE 30 2HD1 ILE 30 8.042 -10.506 3.223 262 H LYS 31 H LYS 31 8.143 -9.761 -2.618 263 HA LYS 31 HA LYS 31 9.970 -7.658 -1.957 264 HB2 LYS 31 2HB LYS 31 10.800 -9.678 -3.025 265 HB3 LYS 31 1HB LYS 31 9.768 -9.402 -4.420 266 HG2 LYS 31 2HG LYS 31 11.097 -7.107 -4.484 267 HG3 LYS 31 1HG LYS 31 12.304 -8.082 -3.642 268 HD2 LYS 31 2HD LYS 31 12.753 -9.338 -5.466 269 HD3 LYS 31 1HD LYS 31 11.070 -9.347 -6.000 270 HE2 LYS 31 2HE LYS 31 11.291 -7.137 -6.915 271 HE3 LYS 31 1HE LYS 31 12.909 -6.969 -6.234 272 HZ1 LYS 31 3HZ LYS 31 12.033 -8.396 -8.610 273 HZ2 LYS 31 1HZ LYS 31 13.226 -9.164 -7.688 274 HZ3 LYS 31 2HZ LYS 31 13.498 -7.609 -8.297 275 H LEU 32 H LEU 32 7.318 -8.081 -4.284 276 HA LEU 32 HA LEU 32 7.842 -5.760 -5.790 277 HG LEU 32 HG LEU 32 5.594 -8.502 -4.990 278 HB2 LEU 32 2HB LEU 32 4.989 -6.186 -5.482 279 HB3 LEU 32 1HB LEU 32 5.983 -6.239 -6.929 280 HD11 LEU 32 1HD1 LEU 32 4.315 -9.541 -6.807 281 HD12 LEU 32 2HD1 LEU 32 4.471 -8.055 -7.746 282 HD13 LEU 32 3HD1 LEU 32 3.569 -8.050 -6.232 283 HD21 LEU 32 3HD2 LEU 32 6.953 -9.817 -6.324 284 HD22 LEU 32 1HD2 LEU 32 7.798 -8.270 -6.342 285 HD23 LEU 32 2HD2 LEU 32 6.797 -8.744 -7.714 286 H ILE 33 H ILE 33 6.284 -6.265 -2.723 287 HA ILE 33 HA ILE 33 5.452 -3.478 -2.543 288 HB ILE 33 HB ILE 33 4.742 -4.231 -0.180 289 HG12 ILE 33 2HG1 ILE 33 4.991 -6.926 -1.525 290 HG13 ILE 33 1HG1 ILE 33 6.027 -6.347 -0.225 291 HG21 ILE 33 1HG2 ILE 33 3.017 -5.727 -1.962 292 HG22 ILE 33 2HG2 ILE 33 3.467 -4.159 -2.629 293 HG23 ILE 33 3HG2 ILE 33 2.700 -4.254 -1.044 294 HD11 ILE 33 3HD1 ILE 33 4.171 -6.266 1.276 295 HD12 ILE 33 1HD1 ILE 33 4.269 -7.866 0.543 296 HD13 ILE 33 2HD1 ILE 33 3.060 -6.709 -0.021 297 H ALA 34 H ALA 34 7.627 -5.742 -0.896 298 HA ALA 34 HA ALA 34 8.624 -3.980 1.025 299 HB1 ALA 34 1HB ALA 34 8.966 -6.418 1.077 300 HB2 ALA 34 2HB ALA 34 10.476 -5.526 1.268 301 HB3 ALA 34 3HB ALA 34 10.084 -6.275 -0.279 302 H ASN 35 H ASN 35 9.364 -4.358 -2.354 303 HA ASN 35 HA ASN 35 11.741 -2.705 -2.191 304 HB2 ASN 35 2HB ASN 35 11.867 -4.529 -3.729 305 HB3 ASN 35 1HB ASN 35 10.345 -4.074 -4.496 306 HD21 ASN 35 1HD2 ASN 35 11.249 -3.919 -6.525 307 HD22 ASN 35 2HD2 ASN 35 12.326 -2.647 -6.976 308 H ALA 36 H ALA 36 8.396 -2.234 -2.554 309 HA ALA 36 HA ALA 36 7.104 -0.423 -3.053 310 HB1 ALA 36 1HB ALA 36 9.602 1.206 -2.627 311 HB2 ALA 36 2HB ALA 36 8.656 0.516 -1.308 312 HB3 ALA 36 3HB ALA 36 7.928 1.704 -2.388 313 H LYS 37 H LYS 37 8.508 2.081 -4.256 314 HA LYS 37 HA LYS 37 9.341 2.798 -6.306 315 HB2 LYS 37 2HB LYS 37 10.041 0.341 -6.734 316 HB3 LYS 37 1HB LYS 37 8.516 0.217 -7.611 317 HG2 LYS 37 2HG LYS 37 9.525 2.456 -8.720 318 HG3 LYS 37 1HG LYS 37 11.014 1.594 -8.334 319 HD2 LYS 37 2HD LYS 37 8.870 -0.000 -9.595 320 HD3 LYS 37 1HD LYS 37 9.633 1.225 -10.611 321 HE2 LYS 37 2HE LYS 37 11.584 -0.285 -9.090 322 HE3 LYS 37 1HE LYS 37 10.581 -1.332 -10.095 323 HZ1 LYS 37 3HZ LYS 37 12.147 -0.775 -11.608 324 HZ2 LYS 37 1HZ LYS 37 12.508 0.710 -10.883 325 HZ3 LYS 37 2HZ LYS 37 11.129 0.553 -11.847 326 H THR 38 H THR 38 6.350 1.142 -5.765 327 HA THR 38 HA THR 38 4.966 3.209 -7.297 328 HB THR 38 HB THR 38 3.370 1.209 -7.989 329 HG1 THR 38 1HG THR 38 4.539 -0.662 -8.400 330 HG21 THR 38 3HG2 THR 38 4.296 1.152 -10.126 331 HG22 THR 38 1HG2 THR 38 5.926 1.463 -9.526 332 HG23 THR 38 2HG2 THR 38 4.717 2.747 -9.502 333 H VAL 39 H VAL 39 4.505 4.020 -5.186 334 HA VAL 39 HA VAL 39 3.452 2.797 -3.004 335 HB VAL 39 HB VAL 39 3.873 5.225 -3.149 336 HG11 VAL 39 1HG1 VAL 39 1.159 5.523 -4.391 337 HG12 VAL 39 2HG1 VAL 39 2.625 5.436 -5.369 338 HG13 VAL 39 3HG1 VAL 39 2.426 6.737 -4.195 339 HG21 VAL 39 3HG2 VAL 39 1.244 5.545 -2.145 340 HG22 VAL 39 1HG2 VAL 39 2.738 5.285 -1.243 341 HG23 VAL 39 2HG2 VAL 39 1.764 3.906 -1.756 342 H GLU 40 H GLU 40 1.547 3.817 -5.842 343 HA GLU 40 HA GLU 40 -0.946 2.976 -4.857 344 HB2 GLU 40 2HB GLU 40 0.133 3.867 -7.398 345 HB3 GLU 40 1HB GLU 40 -1.047 2.587 -7.629 346 HG2 GLU 40 2HG GLU 40 -1.619 4.971 -5.911 347 HG3 GLU 40 1HG GLU 40 -1.892 4.981 -7.657 348 H GLY 41 H GLY 41 1.539 1.287 -6.729 349 HA2 GLY 41 2HA GLY 41 0.079 -1.146 -6.974 350 HA3 GLY 41 1HA GLY 41 1.811 -0.951 -7.200 351 H VAL 42 H VAL 42 2.640 -0.089 -4.720 352 HA VAL 42 HA VAL 42 3.081 -2.352 -3.261 353 HB VAL 42 HB VAL 42 2.659 0.355 -1.988 354 HG11 VAL 42 1HG1 VAL 42 3.225 -2.042 -0.815 355 HG12 VAL 42 2HG1 VAL 42 3.657 -0.465 -0.154 356 HG13 VAL 42 3HG1 VAL 42 4.839 -1.382 -1.092 357 HG21 VAL 42 3HG2 VAL 42 4.744 -0.619 -3.834 358 HG22 VAL 42 1HG2 VAL 42 5.313 0.245 -2.405 359 HG23 VAL 42 2HG2 VAL 42 4.184 1.023 -3.515 360 H TRP 43 H TRP 43 0.349 -0.135 -2.976 361 HA TRP 43 HA TRP 43 -0.871 -1.594 -0.824 362 HD1 TRP 43 HD TRP 43 -4.555 -0.252 -2.467 363 HE1 TRP 43 1HE TRP 43 -6.245 -0.392 -0.530 364 HE3 TRP 43 3HE TRP 43 -1.337 0.340 1.461 365 HZ2 TRP 43 2HZ TRP 43 -6.217 -0.268 2.290 366 HZ3 TRP 43 3HZ TRP 43 -2.250 0.318 3.747 367 HH2 TRP 43 HH TRP 43 -4.640 0.020 4.151 368 HB2 TRP 43 2HB TRP 43 -1.191 0.843 -1.101 369 HB3 TRP 43 1HB TRP 43 -2.045 0.546 -2.612 370 H THR 44 H THR 44 -1.117 -1.546 -4.330 371 HA THR 44 HA THR 44 -3.539 -3.114 -4.372 372 HB THR 44 HB THR 44 -1.675 -2.850 -6.714 373 HG1 THR 44 1HG THR 44 -1.948 -0.786 -6.745 374 HG21 THR 44 3HG2 THR 44 -3.568 -4.139 -7.241 375 HG22 THR 44 1HG2 THR 44 -3.867 -2.534 -7.906 376 HG23 THR 44 2HG2 THR 44 -4.654 -3.027 -6.406 377 H LEU 45 H LEU 45 -0.104 -3.750 -4.928 378 HA LEU 45 HA LEU 45 -0.328 -6.455 -5.630 379 HB2 LEU 45 2HB LEU 45 1.866 -4.779 -4.461 380 HB3 LEU 45 1HB LEU 45 2.075 -6.515 -4.602 381 HD11 LEU 45 1HD1 LEU 45 0.653 -6.277 -7.914 382 HD12 LEU 45 2HD1 LEU 45 1.183 -7.442 -6.700 383 HD13 LEU 45 3HD1 LEU 45 2.277 -6.959 -7.997 384 HD21 LEU 45 3HD2 LEU 45 0.518 -3.999 -6.809 385 HD22 LEU 45 1HD2 LEU 45 1.732 -4.114 -8.084 386 HD23 LEU 45 2HD2 LEU 45 2.137 -3.352 -6.545 387 H LYS 46 H LYS 46 -0.209 -4.808 -2.548 388 HA LYS 46 HA LYS 46 0.145 -7.111 -0.929 389 HB2 LYS 46 2HB LYS 46 0.676 -5.034 0.064 390 HB3 LYS 46 1HB LYS 46 -0.846 -4.311 -0.427 391 HG2 LYS 46 2HG LYS 46 -1.992 -5.879 1.162 392 HG3 LYS 46 1HG LYS 46 -0.390 -6.321 1.759 393 HD2 LYS 46 2HD LYS 46 -0.579 -4.601 3.171 394 HD3 LYS 46 1HD LYS 46 -0.373 -3.549 1.769 395 HE2 LYS 46 2HE LYS 46 -3.089 -4.607 2.349 396 HE3 LYS 46 1HE LYS 46 -2.456 -3.331 3.388 397 HZ1 LYS 46 3HZ LYS 46 -3.119 -3.239 0.529 398 HZ2 LYS 46 1HZ LYS 46 -1.912 -2.213 1.120 399 HZ3 LYS 46 2HZ LYS 46 -3.478 -2.127 1.751 400 H ASP 47 H ASP 47 -2.753 -5.099 -1.464 401 HA ASP 47 HA ASP 47 -4.563 -6.853 -0.243 402 HB2 ASP 47 2HB ASP 47 -4.688 -4.392 -1.695 403 HB3 ASP 47 1HB ASP 47 -5.909 -5.481 -2.348 404 H GLU 48 H GLU 48 -3.173 -6.806 -3.432 405 HA GLU 48 HA GLU 48 -5.023 -8.690 -4.564 406 HB2 GLU 48 2HB GLU 48 -3.835 -7.020 -5.944 407 HB3 GLU 48 1HB GLU 48 -2.310 -7.804 -5.561 408 HG2 GLU 48 2HG GLU 48 -2.625 -9.433 -7.058 409 HG3 GLU 48 1HG GLU 48 -4.335 -9.597 -6.669 410 H ILE 49 H ILE 49 -1.565 -8.861 -3.638 411 HA ILE 49 HA ILE 49 -1.251 -11.577 -4.134 412 HB ILE 49 HB ILE 49 0.663 -10.112 -3.692 413 HG12 ILE 49 2HG1 ILE 49 1.950 -11.731 -2.350 414 HG13 ILE 49 1HG1 ILE 49 0.448 -12.463 -1.804 415 HG21 ILE 49 1HG2 ILE 49 1.206 -9.178 -1.680 416 HG22 ILE 49 2HG2 ILE 49 0.227 -10.325 -0.758 417 HG23 ILE 49 3HG2 ILE 49 -0.551 -9.032 -1.667 418 HD11 ILE 49 3HD1 ILE 49 0.795 -12.292 -4.717 419 HD12 ILE 49 1HD1 ILE 49 0.152 -13.593 -3.719 420 HD13 ILE 49 2HD1 ILE 49 1.895 -13.377 -3.867 421 H LEU 50 H LEU 50 -2.896 -9.999 -1.530 422 HA LEU 50 HA LEU 50 -2.872 -12.354 0.154 423 HG LEU 50 HG LEU 50 -4.067 -12.153 2.240 424 HB2 LEU 50 2HB LEU 50 -3.228 -9.727 0.711 425 HB3 LEU 50 1HB LEU 50 -4.901 -10.253 0.626 426 HD11 LEU 50 1HD1 LEU 50 -1.911 -10.121 2.292 427 HD12 LEU 50 2HD1 LEU 50 -1.819 -11.871 2.491 428 HD13 LEU 50 3HD1 LEU 50 -2.390 -10.861 3.819 429 HD21 LEU 50 3HD2 LEU 50 -5.745 -10.338 2.676 430 HD22 LEU 50 1HD2 LEU 50 -4.416 -9.352 3.287 431 HD23 LEU 50 2HD2 LEU 50 -4.831 -10.868 4.090 432 H THR 51 H THR 51 -4.981 -10.789 -2.174 433 HA THR 51 HA THR 51 -7.330 -12.234 -1.758 434 HB THR 51 HB THR 51 -6.110 -11.008 -4.228 435 HG1 THR 51 1HG THR 51 -8.347 -10.342 -2.621 436 HG21 THR 51 3HG2 THR 51 -8.809 -12.323 -4.043 437 HG22 THR 51 1HG2 THR 51 -7.474 -12.779 -5.102 438 HG23 THR 51 2HG2 THR 51 -8.297 -11.236 -5.334 439 H PHE 52 H PHE 52 -4.301 -13.198 -3.196 440 HA PHE 52 HA PHE 52 -5.364 -15.568 -4.434 441 HD1 PHE 52 1HD PHE 52 -2.655 -17.713 -5.117 442 HD2 PHE 52 2HD PHE 52 -1.379 -14.431 -2.740 443 HE1 PHE 52 1HE PHE 52 -0.813 -19.077 -4.220 444 HE2 PHE 52 2HE PHE 52 0.465 -15.777 -1.829 445 HZ PHE 52 HZ PHE 52 0.749 -18.111 -2.580 446 HB2 PHE 52 2HB PHE 52 -3.436 -15.452 -5.560 447 HB3 PHE 52 1HB PHE 52 -2.931 -14.105 -4.553 448 H THR 53 H THR 53 -5.078 -14.741 -1.332 449 HA THR 53 HA THR 53 -4.955 -17.516 -0.473 450 HB THR 53 HB THR 53 -2.628 -16.414 -0.275 451 HG1 THR 53 1HG THR 53 -2.295 -17.501 1.694 452 HG21 THR 53 3HG2 THR 53 -3.103 -15.472 2.376 453 HG22 THR 53 1HG2 THR 53 -4.032 -14.519 1.225 454 HG23 THR 53 2HG2 THR 53 -2.288 -14.675 1.031 455 H VAL 54 H VAL 54 -7.240 -16.198 -0.696 456 HA VAL 54 HA VAL 54 -7.973 -15.624 2.087 457 HB VAL 54 HB VAL 54 -9.487 -13.847 1.345 458 HG11 VAL 54 1HG1 VAL 54 -6.614 -13.730 1.236 459 HG12 VAL 54 2HG1 VAL 54 -7.757 -12.571 1.901 460 HG13 VAL 54 3HG1 VAL 54 -7.347 -12.510 0.191 461 HG21 VAL 54 3HG2 VAL 54 -8.994 -12.962 -1.046 462 HG22 VAL 54 1HG2 VAL 54 -10.111 -14.307 -0.829 463 HG23 VAL 54 2HG2 VAL 54 -8.452 -14.613 -1.349 464 H THR 55 H THR 55 -10.610 -15.328 1.941 465 HA THR 55 HA THR 55 -12.596 -16.415 1.751 466 HB THR 55 HB THR 55 -11.571 -17.862 -0.675 467 HG1 THR 55 1HG THR 55 -11.671 -16.075 -1.854 468 HG21 THR 55 3HG2 THR 55 -14.058 -17.782 0.448 469 HG22 THR 55 1HG2 THR 55 -13.707 -18.147 -1.244 470 HG23 THR 55 2HG2 THR 55 -14.153 -16.508 -0.768 471 H GLU 56 H GLU 56 -13.048 -17.905 3.219 472 HA GLU 56 HA GLU 56 -12.573 -20.642 2.870 473 HB2 GLU 56 2HB GLU 56 -10.245 -19.486 3.619 474 HB3 GLU 56 1HB GLU 56 -10.942 -19.813 5.201 475 HG2 GLU 56 2HG GLU 56 -11.320 -22.159 3.746 476 HG3 GLU 56 1HG GLU 56 -9.695 -21.611 3.331 Start of MODEL 5 1 HA THR 1 HA THR 1 -2.401 19.162 11.314 2 HB THR 1 HB THR 1 -4.016 17.203 11.365 3 HG1 THR 1 1HG THR 1 -5.933 19.217 10.819 4 H1 THR 1 1HT THR 1 -3.030 21.087 10.266 5 H2 THR 1 2HT THR 1 -4.315 20.725 11.344 6 H3 THR 1 3HT THR 1 -4.483 20.401 9.667 7 HG21 THR 1 1HG2 THR 1 -5.128 19.545 12.865 8 HG22 THR 1 2HG2 THR 1 -3.607 18.771 13.307 9 HG23 THR 1 3HG2 THR 1 -5.104 17.835 13.325 10 H THR 2 H THR 2 -2.168 20.191 8.693 11 HA THR 2 HA THR 2 -1.597 19.640 6.568 12 HB THR 2 HB THR 2 -0.546 17.253 6.415 13 HG1 THR 2 1HG THR 2 0.056 16.493 8.488 14 HG21 THR 2 3HG2 THR 2 1.432 18.193 6.813 15 HG22 THR 2 1HG2 THR 2 0.979 18.686 8.444 16 HG23 THR 2 2HG2 THR 2 0.510 19.672 7.058 17 H TYR 3 H TYR 3 -2.461 16.297 7.302 18 HA TYR 3 HA TYR 3 -3.954 14.877 6.338 19 HD1 TYR 3 2HD TYR 3 -6.148 14.273 8.160 20 HD2 TYR 3 1HD TYR 3 -7.236 16.054 4.454 21 HE1 TYR 3 2HE TYR 3 -7.878 12.552 7.848 22 HE2 TYR 3 1HE TYR 3 -8.969 14.339 4.133 23 HH TYR 3 HH TYR 3 -10.100 12.396 6.542 24 HB2 TYR 3 2HB TYR 3 -5.465 16.581 7.569 25 HB3 TYR 3 1HB TYR 3 -5.807 17.227 5.973 26 H LYS 4 H LYS 4 -2.041 16.155 4.620 27 HA LYS 4 HA LYS 4 -3.385 15.689 2.089 28 HB2 LYS 4 2HB LYS 4 -3.523 18.167 2.571 29 HB3 LYS 4 1HB LYS 4 -1.767 18.211 2.484 30 HG2 LYS 4 2HG LYS 4 -3.013 16.933 0.176 31 HG3 LYS 4 1HG LYS 4 -3.482 18.618 0.393 32 HD2 LYS 4 2HD LYS 4 -1.490 19.337 -0.302 33 HD3 LYS 4 1HD LYS 4 -0.641 18.260 0.806 34 HE2 LYS 4 2HE LYS 4 0.096 17.413 -1.177 35 HE3 LYS 4 1HE LYS 4 -1.365 16.447 -0.975 36 HZ1 LYS 4 3HZ LYS 4 -0.786 17.840 -3.175 37 HZ2 LYS 4 1HZ LYS 4 -1.733 18.974 -2.344 38 HZ3 LYS 4 2HZ LYS 4 -2.361 17.443 -2.701 39 H LEU 5 H LEU 5 -2.094 13.817 2.048 40 HA LEU 5 HA LEU 5 0.671 14.337 1.221 41 HG LEU 5 HG LEU 5 1.939 14.485 2.979 42 HB2 LEU 5 2HB LEU 5 -0.263 12.586 3.432 43 HB3 LEU 5 1HB LEU 5 1.027 11.965 2.419 44 HD11 LEU 5 1HD1 LEU 5 1.689 14.617 5.488 45 HD12 LEU 5 2HD1 LEU 5 0.336 13.500 5.320 46 HD13 LEU 5 3HD1 LEU 5 0.284 15.078 4.535 47 HD21 LEU 5 3HD2 LEU 5 3.631 13.403 4.081 48 HD22 LEU 5 1HD2 LEU 5 2.930 12.059 3.188 49 HD23 LEU 5 2HD2 LEU 5 2.539 12.274 4.890 50 H ILE 6 H ILE 6 1.103 13.444 -0.683 51 HA ILE 6 HA ILE 6 -0.716 11.380 -1.704 52 HB ILE 6 HB ILE 6 0.253 11.948 -3.937 53 HG12 ILE 6 2HG1 ILE 6 1.282 14.524 -2.917 54 HG13 ILE 6 1HG1 ILE 6 2.268 13.121 -2.545 55 HG21 ILE 6 1HG2 ILE 6 -1.808 13.040 -2.720 56 HG22 ILE 6 2HG2 ILE 6 -1.244 13.643 -4.274 57 HG23 ILE 6 3HG2 ILE 6 -0.800 14.479 -2.787 58 HD11 ILE 6 3HD1 ILE 6 2.810 12.750 -4.728 59 HD12 ILE 6 1HD1 ILE 6 2.634 14.503 -4.736 60 HD13 ILE 6 2HD1 ILE 6 1.326 13.484 -5.336 61 H LEU 7 H LEU 7 1.401 10.735 0.151 62 HA LEU 7 HA LEU 7 2.669 8.636 -1.378 63 HG LEU 7 HG LEU 7 4.982 8.100 -1.412 64 HB2 LEU 7 2HB LEU 7 4.082 10.936 -1.241 65 HB3 LEU 7 1HB LEU 7 4.615 10.163 0.239 66 HD11 LEU 7 1HD1 LEU 7 4.976 10.541 -3.148 67 HD12 LEU 7 2HD1 LEU 7 4.282 8.951 -3.456 68 HD13 LEU 7 3HD1 LEU 7 6.032 9.172 -3.513 69 HD21 LEU 7 3HD2 LEU 7 6.920 10.406 -1.244 70 HD22 LEU 7 1HD2 LEU 7 7.302 8.709 -1.511 71 HD23 LEU 7 2HD2 LEU 7 6.652 9.228 0.043 72 H ASN 8 H ASN 8 2.502 6.868 -0.198 73 HA ASN 8 HA ASN 8 3.249 6.797 2.566 74 HB2 ASN 8 2HB ASN 8 0.775 7.661 2.395 75 HB3 ASN 8 1HB ASN 8 0.408 5.967 2.088 76 HD21 ASN 8 1HD2 ASN 8 0.925 8.303 4.425 77 HD22 ASN 8 2HD2 ASN 8 1.052 7.269 5.804 78 H LEU 9 H LEU 9 4.384 5.461 0.548 79 HA LEU 9 HA LEU 9 3.215 2.832 0.254 80 HG LEU 9 HG LEU 9 6.218 4.864 0.047 81 HB2 LEU 9 2HB LEU 9 5.208 2.333 -1.089 82 HB3 LEU 9 1HB LEU 9 4.382 3.785 -1.631 83 HD11 LEU 9 1HD1 LEU 9 7.726 3.317 0.595 84 HD12 LEU 9 2HD1 LEU 9 8.279 3.440 -1.075 85 HD13 LEU 9 3HD1 LEU 9 7.129 2.184 -0.615 86 HD21 LEU 9 3HD2 LEU 9 6.196 5.910 -1.953 87 HD22 LEU 9 1HD2 LEU 9 6.009 4.408 -2.855 88 HD23 LEU 9 2HD2 LEU 9 7.599 4.890 -2.267 89 H LYS 10 H LYS 10 5.739 4.368 2.126 90 HA LYS 10 HA LYS 10 7.205 2.196 2.995 91 HB2 LYS 10 2HB LYS 10 7.545 4.689 3.496 92 HB3 LYS 10 1HB LYS 10 6.425 4.454 4.829 93 HG2 LYS 10 2HG LYS 10 7.951 3.417 6.094 94 HG3 LYS 10 1HG LYS 10 8.599 2.499 4.733 95 HD2 LYS 10 2HD LYS 10 9.854 4.452 3.994 96 HD3 LYS 10 1HD LYS 10 9.173 5.405 5.314 97 HE2 LYS 10 2HE LYS 10 10.483 2.900 6.123 98 HE3 LYS 10 1HE LYS 10 11.554 4.108 5.418 99 HZ1 LYS 10 3HZ LYS 10 10.899 4.058 7.988 100 HZ2 LYS 10 1HZ LYS 10 9.675 5.076 7.412 101 HZ3 LYS 10 2HZ LYS 10 11.298 5.478 7.160 102 H GLN 11 H GLN 11 4.101 3.395 4.128 103 HA GLN 11 HA GLN 11 3.935 1.342 6.174 104 HB2 GLN 11 2HB GLN 11 2.915 3.890 5.977 105 HB3 GLN 11 1HB GLN 11 1.513 2.896 5.606 106 HG2 GLN 11 2HG GLN 11 1.218 2.450 7.749 107 HG3 GLN 11 1HG GLN 11 2.849 1.792 7.868 108 HE21 GLN 11 1HE2 GLN 11 3.233 2.598 9.895 109 HE22 GLN 11 2HE2 GLN 11 3.439 4.283 10.213 110 H ALA 12 H ALA 12 2.659 2.074 3.012 111 HA ALA 12 HA ALA 12 0.564 0.224 2.913 112 HB1 ALA 12 1HB ALA 12 0.654 0.456 0.529 113 HB2 ALA 12 2HB ALA 12 2.313 1.051 0.600 114 HB3 ALA 12 3HB ALA 12 0.996 2.031 1.243 115 H LYS 13 H LYS 13 4.025 -0.126 2.344 116 HA LYS 13 HA LYS 13 3.692 -2.901 1.577 117 HB2 LYS 13 2HB LYS 13 5.850 -2.893 0.834 118 HB3 LYS 13 1HB LYS 13 5.481 -1.183 0.697 119 HG2 LYS 13 2HG LYS 13 6.635 -1.912 3.284 120 HG3 LYS 13 1HG LYS 13 7.679 -2.254 1.907 121 HD2 LYS 13 2HD LYS 13 7.042 0.124 1.129 122 HD3 LYS 13 1HD LYS 13 6.543 0.364 2.805 123 HE2 LYS 13 2HE LYS 13 8.674 0.916 3.202 124 HE3 LYS 13 1HE LYS 13 9.018 -0.808 3.062 125 HZ1 LYS 13 3HZ LYS 13 8.959 0.852 0.636 126 HZ2 LYS 13 1HZ LYS 13 9.827 -0.568 0.944 127 HZ3 LYS 13 2HZ LYS 13 10.325 0.894 1.634 128 H GLU 14 H GLU 14 4.741 -1.040 4.362 129 HA GLU 14 HA GLU 14 5.845 -3.110 5.891 130 HB2 GLU 14 2HB GLU 14 4.544 -0.497 6.524 131 HB3 GLU 14 1HB GLU 14 4.798 -1.636 7.841 132 HG2 GLU 14 2HG GLU 14 7.175 -1.671 7.392 133 HG3 GLU 14 1HG GLU 14 6.951 -0.606 6.005 134 H GLU 15 H GLU 15 2.521 -1.887 5.725 135 HA GLU 15 HA GLU 15 1.383 -3.833 7.438 136 HB2 GLU 15 2HB GLU 15 0.257 -1.703 6.804 137 HB3 GLU 15 1HB GLU 15 0.083 -2.315 5.163 138 HG2 GLU 15 2HG GLU 15 -1.547 -3.816 5.742 139 HG3 GLU 15 1HG GLU 15 -1.010 -3.919 7.419 140 H ALA 16 H ALA 16 2.145 -3.667 4.040 141 HA ALA 16 HA ALA 16 0.724 -5.938 3.182 142 HB1 ALA 16 1HB ALA 16 1.697 -4.149 1.715 143 HB2 ALA 16 2HB ALA 16 2.000 -5.799 1.181 144 HB3 ALA 16 3HB ALA 16 3.276 -4.885 1.981 145 H ILE 17 H ILE 17 3.960 -5.471 4.517 146 HA ILE 17 HA ILE 17 5.015 -8.017 4.060 147 HB ILE 17 HB ILE 17 5.479 -6.146 6.394 148 HG12 ILE 17 2HG1 ILE 17 6.195 -5.162 4.319 149 HG13 ILE 17 1HG1 ILE 17 7.628 -5.701 5.183 150 HG21 ILE 17 1HG2 ILE 17 6.336 -8.009 7.349 151 HG22 ILE 17 2HG2 ILE 17 7.719 -7.613 6.330 152 HG23 ILE 17 3HG2 ILE 17 6.559 -8.833 5.806 153 HD11 ILE 17 3HD1 ILE 17 7.409 -7.831 3.751 154 HD12 ILE 17 1HD1 ILE 17 8.041 -6.358 3.012 155 HD13 ILE 17 2HD1 ILE 17 6.367 -6.841 2.730 156 H LYS 18 H LYS 18 3.237 -6.771 6.885 157 HA LYS 18 HA LYS 18 3.079 -9.199 8.286 158 HB2 LYS 18 2HB LYS 18 1.292 -6.764 8.278 159 HB3 LYS 18 1HB LYS 18 1.038 -8.124 9.363 160 HG2 LYS 18 2HG LYS 18 3.757 -7.366 9.571 161 HG3 LYS 18 1HG LYS 18 2.780 -5.900 9.666 162 HD2 LYS 18 2HD LYS 18 2.934 -6.629 11.883 163 HD3 LYS 18 1HD LYS 18 1.348 -7.195 11.353 164 HE2 LYS 18 2HE LYS 18 2.603 -8.900 12.625 165 HE3 LYS 18 1HE LYS 18 2.213 -9.415 10.984 166 HZ1 LYS 18 3HZ LYS 18 4.793 -8.114 11.413 167 HZ2 LYS 18 1HZ LYS 18 4.376 -9.366 10.354 168 HZ3 LYS 18 2HZ LYS 18 4.615 -9.691 11.996 169 H GLU 19 H GLU 19 1.196 -7.849 5.679 170 HA GLU 19 HA GLU 19 -1.035 -9.547 5.748 171 HB2 GLU 19 2HB GLU 19 0.099 -7.589 3.974 172 HB3 GLU 19 1HB GLU 19 -0.425 -8.978 3.040 173 HG2 GLU 19 2HG GLU 19 -2.227 -7.448 3.094 174 HG3 GLU 19 1HG GLU 19 -2.650 -8.782 4.168 175 H LEU 20 H LEU 20 1.979 -9.818 3.878 176 HA LEU 20 HA LEU 20 1.321 -12.412 2.880 177 HG LEU 20 HG LEU 20 2.791 -13.374 1.433 178 HB2 LEU 20 2HB LEU 20 3.047 -10.540 2.059 179 HB3 LEU 20 1HB LEU 20 4.155 -11.517 3.001 180 HD11 LEU 20 1HD1 LEU 20 3.011 -12.542 -0.838 181 HD12 LEU 20 2HD1 LEU 20 3.507 -10.964 -0.225 182 HD13 LEU 20 3HD1 LEU 20 1.875 -11.558 0.085 183 HD21 LEU 20 3HD2 LEU 20 5.117 -12.952 0.084 184 HD22 LEU 20 1HD2 LEU 20 4.962 -13.918 1.551 185 HD23 LEU 20 2HD2 LEU 20 5.481 -12.236 1.653 186 H VAL 21 H VAL 21 3.063 -11.176 5.656 187 HA VAL 21 HA VAL 21 4.383 -13.549 6.407 188 HB VAL 21 HB VAL 21 3.408 -11.268 8.136 189 HG11 VAL 21 1HG1 VAL 21 5.072 -12.092 9.782 190 HG12 VAL 21 2HG1 VAL 21 5.295 -13.530 8.784 191 HG13 VAL 21 3HG1 VAL 21 3.729 -13.207 9.527 192 HG21 VAL 21 3HG2 VAL 21 6.276 -11.606 7.639 193 HG22 VAL 21 1HG2 VAL 21 5.283 -10.149 7.621 194 HG23 VAL 21 2HG2 VAL 21 5.328 -11.204 6.208 195 H ASP 22 H ASP 22 1.117 -12.403 6.859 196 HA ASP 22 HA ASP 22 0.494 -14.597 8.648 197 HB2 ASP 22 2HB ASP 22 -1.639 -13.591 8.956 198 HB3 ASP 22 1HB ASP 22 -0.488 -12.261 8.898 199 H ALA 23 H ALA 23 -0.173 -13.563 5.338 200 HA ALA 23 HA ALA 23 -1.895 -15.777 4.754 201 HB1 ALA 23 1HB ALA 23 -0.435 -14.063 2.757 202 HB2 ALA 23 2HB ALA 23 -1.918 -13.560 3.569 203 HB3 ALA 23 3HB ALA 23 -1.925 -14.976 2.519 204 H GLY 24 H GLY 24 1.470 -15.410 5.016 205 HA2 GLY 24 2HA GLY 24 3.281 -16.645 4.277 206 HA3 GLY 24 1HA GLY 24 2.267 -17.956 4.864 207 H ILE 25 H ILE 25 3.397 -16.230 2.030 208 HA ILE 25 HA ILE 25 3.052 -18.588 0.435 209 HB ILE 25 HB ILE 25 1.856 -16.758 -1.295 210 HG12 ILE 25 2HG1 ILE 25 -0.283 -16.257 0.015 211 HG13 ILE 25 1HG1 ILE 25 0.661 -16.545 1.469 212 HG21 ILE 25 1HG2 ILE 25 0.712 -19.044 0.291 213 HG22 ILE 25 2HG2 ILE 25 1.411 -19.097 -1.327 214 HG23 ILE 25 3HG2 ILE 25 -0.118 -18.262 -1.054 215 HD11 ILE 25 3HD1 ILE 25 1.049 -14.350 1.368 216 HD12 ILE 25 1HD1 ILE 25 0.636 -14.255 -0.345 217 HD13 ILE 25 2HD1 ILE 25 2.244 -14.787 0.146 218 H ALA 26 H ALA 26 3.354 -17.574 -2.092 219 HA ALA 26 HA ALA 26 5.944 -17.335 -2.586 220 HB1 ALA 26 1HB ALA 26 4.667 -17.340 -4.497 221 HB2 ALA 26 2HB ALA 26 5.279 -15.683 -4.498 222 HB3 ALA 26 3HB ALA 26 3.637 -16.020 -3.943 223 H GLU 27 H GLU 27 7.240 -16.287 -1.138 224 HA GLU 27 HA GLU 27 6.875 -13.756 -0.071 225 HB2 GLU 27 2HB GLU 27 9.241 -15.506 -0.530 226 HB3 GLU 27 1HB GLU 27 9.540 -13.825 -0.110 227 HG2 GLU 27 2HG GLU 27 9.289 -14.362 2.017 228 HG3 GLU 27 1HG GLU 27 7.595 -14.724 1.689 229 H LYS 28 H LYS 28 7.888 -14.707 -3.224 230 HA LYS 28 HA LYS 28 9.335 -12.618 -4.217 231 HB2 LYS 28 2HB LYS 28 8.959 -14.301 -5.762 232 HB3 LYS 28 1HB LYS 28 7.247 -14.412 -5.391 233 HG2 LYS 28 2HG LYS 28 6.999 -13.433 -7.376 234 HG3 LYS 28 1HG LYS 28 7.357 -11.946 -6.502 235 HD2 LYS 28 2HD LYS 28 9.501 -11.817 -7.323 236 HD3 LYS 28 1HD LYS 28 9.621 -13.559 -7.574 237 HE2 LYS 28 2HE LYS 28 7.805 -13.191 -9.371 238 HE3 LYS 28 1HE LYS 28 8.270 -11.493 -9.273 239 HZ1 LYS 28 3HZ LYS 28 9.732 -12.124 -10.843 240 HZ2 LYS 28 1HZ LYS 28 9.719 -13.753 -10.383 241 HZ3 LYS 28 2HZ LYS 28 10.653 -12.636 -9.521 242 H TYR 29 H TYR 29 5.802 -12.724 -3.838 243 HA TYR 29 HA TYR 29 5.319 -10.177 -4.919 244 HD1 TYR 29 2HD TYR 29 3.690 -13.184 -5.628 245 HD2 TYR 29 1HD TYR 29 2.194 -9.265 -4.923 246 HE1 TYR 29 2HE TYR 29 2.467 -13.275 -7.758 247 HE2 TYR 29 1HE TYR 29 0.966 -9.344 -7.052 248 HH TYR 29 HH TYR 29 0.089 -11.754 -8.583 249 HB2 TYR 29 2HB TYR 29 3.784 -12.156 -3.388 250 HB3 TYR 29 1HB TYR 29 3.263 -10.484 -3.156 251 H ILE 30 H ILE 30 6.294 -11.263 -1.755 252 HA ILE 30 HA ILE 30 5.763 -8.919 -0.299 253 HB ILE 30 HB ILE 30 6.743 -11.360 0.377 254 HG12 ILE 30 2HG1 ILE 30 7.049 -8.810 1.973 255 HG13 ILE 30 1HG1 ILE 30 5.583 -9.777 1.848 256 HG21 ILE 30 1HG2 ILE 30 8.969 -11.381 0.974 257 HG22 ILE 30 2HG2 ILE 30 9.088 -9.623 1.009 258 HG23 ILE 30 3HG2 ILE 30 9.017 -10.469 -0.534 259 HD11 ILE 30 3HD1 ILE 30 6.478 -10.407 3.884 260 HD12 ILE 30 1HD1 ILE 30 8.133 -10.399 3.273 261 HD13 ILE 30 2HD1 ILE 30 7.025 -11.684 2.796 262 H LYS 31 H LYS 31 8.194 -9.748 -2.616 263 HA LYS 31 HA LYS 31 10.003 -7.636 -1.917 264 HB2 LYS 31 2HB LYS 31 10.880 -9.627 -2.982 265 HB3 LYS 31 1HB LYS 31 9.838 -9.391 -4.375 266 HG2 LYS 31 2HG LYS 31 11.583 -8.376 -5.310 267 HG3 LYS 31 1HG LYS 31 11.215 -7.016 -4.246 268 HD2 LYS 31 2HD LYS 31 12.682 -8.249 -2.523 269 HD3 LYS 31 1HD LYS 31 13.268 -9.178 -3.904 270 HE2 LYS 31 2HE LYS 31 13.640 -6.832 -4.974 271 HE3 LYS 31 1HE LYS 31 13.583 -6.267 -3.304 272 HZ1 LYS 31 3HZ LYS 31 15.844 -6.708 -3.945 273 HZ2 LYS 31 1HZ LYS 31 15.456 -8.286 -4.414 274 HZ3 LYS 31 2HZ LYS 31 15.371 -7.844 -2.783 275 H LEU 32 H LEU 32 7.388 -8.066 -4.292 276 HA LEU 32 HA LEU 32 7.924 -5.722 -5.759 277 HG LEU 32 HG LEU 32 5.647 -8.441 -4.952 278 HB2 LEU 32 2HB LEU 32 5.079 -6.123 -5.591 279 HB3 LEU 32 1HB LEU 32 6.149 -6.279 -6.976 280 HD11 LEU 32 1HD1 LEU 32 3.615 -8.011 -6.157 281 HD12 LEU 32 2HD1 LEU 32 4.336 -9.506 -6.757 282 HD13 LEU 32 3HD1 LEU 32 4.482 -8.018 -7.693 283 HD21 LEU 32 3HD2 LEU 32 6.876 -9.877 -6.347 284 HD22 LEU 32 1HD2 LEU 32 7.843 -8.405 -6.247 285 HD23 LEU 32 2HD2 LEU 32 6.867 -8.721 -7.680 286 H ILE 33 H ILE 33 6.321 -6.268 -2.724 287 HA ILE 33 HA ILE 33 5.439 -3.493 -2.556 288 HB ILE 33 HB ILE 33 4.736 -4.289 -0.181 289 HG12 ILE 33 2HG1 ILE 33 4.895 -6.938 -1.625 290 HG13 ILE 33 1HG1 ILE 33 5.990 -6.432 -0.344 291 HG21 ILE 33 1HG2 ILE 33 2.917 -5.679 -1.891 292 HG22 ILE 33 2HG2 ILE 33 3.477 -4.211 -2.692 293 HG23 ILE 33 3HG2 ILE 33 2.732 -4.116 -1.095 294 HD11 ILE 33 3HD1 ILE 33 4.207 -6.373 1.232 295 HD12 ILE 33 1HD1 ILE 33 4.201 -7.936 0.416 296 HD13 ILE 33 2HD1 ILE 33 3.024 -6.703 -0.035 297 H ALA 34 H ALA 34 7.610 -5.729 -0.863 298 HA ALA 34 HA ALA 34 8.552 -3.964 1.075 299 HB1 ALA 34 1HB ALA 34 10.056 -6.232 -0.227 300 HB2 ALA 34 2HB ALA 34 8.941 -6.385 1.132 301 HB3 ALA 34 3HB ALA 34 10.439 -5.476 1.320 302 H ASN 35 H ASN 35 9.352 -4.304 -2.294 303 HA ASN 35 HA ASN 35 11.686 -2.590 -2.077 304 HB2 ASN 35 2HB ASN 35 11.912 -4.413 -3.602 305 HB3 ASN 35 1HB ASN 35 10.391 -4.017 -4.406 306 HD21 ASN 35 1HD2 ASN 35 13.753 -3.318 -4.127 307 HD22 ASN 35 2HD2 ASN 35 13.856 -2.211 -5.449 308 H ALA 36 H ALA 36 8.342 -2.213 -2.501 309 HA ALA 36 HA ALA 36 7.010 -0.442 -3.025 310 HB1 ALA 36 1HB ALA 36 9.482 1.234 -2.601 311 HB2 ALA 36 2HB ALA 36 8.498 0.580 -1.291 312 HB3 ALA 36 3HB ALA 36 7.799 1.731 -2.428 313 H LYS 37 H LYS 37 8.461 2.061 -4.272 314 HA LYS 37 HA LYS 37 9.280 2.725 -6.343 315 HB2 LYS 37 2HB LYS 37 9.852 0.183 -6.701 316 HB3 LYS 37 1HB LYS 37 8.382 0.200 -7.675 317 HG2 LYS 37 2HG LYS 37 9.292 1.580 -9.269 318 HG3 LYS 37 1HG LYS 37 10.471 2.272 -8.153 319 HD2 LYS 37 2HD LYS 37 11.904 0.463 -8.339 320 HD3 LYS 37 1HD LYS 37 10.620 -0.626 -8.868 321 HE2 LYS 37 2HE LYS 37 10.492 0.713 -10.988 322 HE3 LYS 37 1HE LYS 37 11.944 1.563 -10.457 323 HZ1 LYS 37 3HZ LYS 37 12.267 -0.394 -11.999 324 HZ2 LYS 37 1HZ LYS 37 11.847 -1.386 -10.693 325 HZ3 LYS 37 2HZ LYS 37 13.209 -0.388 -10.595 326 H THR 38 H THR 38 6.262 1.150 -5.730 327 HA THR 38 HA THR 38 4.897 3.219 -7.265 328 HB THR 38 HB THR 38 3.773 0.482 -7.539 329 HG1 THR 38 1HG THR 38 5.148 -0.037 -9.205 330 HG21 THR 38 3HG2 THR 38 3.971 1.888 -9.987 331 HG22 THR 38 1HG2 THR 38 3.382 3.005 -8.756 332 HG23 THR 38 2HG2 THR 38 2.529 1.491 -9.054 333 H VAL 39 H VAL 39 4.441 4.024 -5.152 334 HA VAL 39 HA VAL 39 3.390 2.810 -2.969 335 HB VAL 39 HB VAL 39 3.807 5.231 -3.103 336 HG11 VAL 39 1HG1 VAL 39 1.115 5.543 -4.395 337 HG12 VAL 39 2HG1 VAL 39 2.597 5.439 -5.345 338 HG13 VAL 39 3HG1 VAL 39 2.388 6.740 -4.178 339 HG21 VAL 39 3HG2 VAL 39 1.530 3.966 -1.833 340 HG22 VAL 39 1HG2 VAL 39 1.265 5.691 -2.092 341 HG23 VAL 39 2HG2 VAL 39 2.674 5.142 -1.187 342 H GLU 40 H GLU 40 1.468 3.824 -5.801 343 HA GLU 40 HA GLU 40 -1.016 2.962 -4.799 344 HB2 GLU 40 2HB GLU 40 0.025 3.927 -7.323 345 HB3 GLU 40 1HB GLU 40 -1.096 2.596 -7.589 346 HG2 GLU 40 2HG GLU 40 -2.486 4.416 -7.646 347 HG3 GLU 40 1HG GLU 40 -2.635 3.896 -5.966 348 H GLY 41 H GLY 41 1.467 1.307 -6.707 349 HA2 GLY 41 2HA GLY 41 0.029 -1.130 -6.979 350 HA3 GLY 41 1HA GLY 41 1.763 -0.925 -7.185 351 H VAL 42 H VAL 42 2.548 -0.072 -4.683 352 HA VAL 42 HA VAL 42 2.980 -2.355 -3.240 353 HB VAL 42 HB VAL 42 2.561 0.342 -1.945 354 HG11 VAL 42 1HG1 VAL 42 4.741 -1.409 -1.076 355 HG12 VAL 42 2HG1 VAL 42 3.126 -2.064 -0.798 356 HG13 VAL 42 3HG1 VAL 42 3.570 -0.495 -0.123 357 HG21 VAL 42 3HG2 VAL 42 4.655 -0.614 -3.796 358 HG22 VAL 42 1HG2 VAL 42 5.211 0.251 -2.363 359 HG23 VAL 42 2HG2 VAL 42 4.082 1.023 -3.477 360 H TRP 43 H TRP 43 0.232 -0.158 -3.025 361 HA TRP 43 HA TRP 43 -1.001 -1.614 -0.866 362 HD1 TRP 43 HD TRP 43 -1.741 1.201 0.998 363 HE1 TRP 43 1HE TRP 43 -3.808 0.784 2.474 364 HE3 TRP 43 3HE TRP 43 -4.631 -1.360 -2.354 365 HZ2 TRP 43 2HZ TRP 43 -6.329 -0.464 2.248 366 HZ3 TRP 43 3HZ TRP 43 -6.858 -2.129 -1.644 367 HH2 TRP 43 HH TRP 43 -7.687 -1.691 0.610 368 HB2 TRP 43 2HB TRP 43 -1.242 0.932 -1.541 369 HB3 TRP 43 1HB TRP 43 -2.533 0.313 -2.564 370 H THR 44 H THR 44 -1.173 -1.571 -4.365 371 HA THR 44 HA THR 44 -3.594 -3.139 -4.470 372 HB THR 44 HB THR 44 -1.671 -2.887 -6.761 373 HG1 THR 44 1HG THR 44 -1.784 -0.801 -6.162 374 HG21 THR 44 3HG2 THR 44 -4.243 -3.901 -6.543 375 HG22 THR 44 1HG2 THR 44 -3.373 -3.512 -8.027 376 HG23 THR 44 2HG2 THR 44 -4.444 -2.317 -7.291 377 H LEU 45 H LEU 45 -0.155 -3.768 -5.055 378 HA LEU 45 HA LEU 45 -0.375 -6.482 -5.687 379 HB2 LEU 45 2HB LEU 45 1.963 -5.369 -4.171 380 HB3 LEU 45 1HB LEU 45 1.949 -6.615 -5.404 381 HD11 LEU 45 1HD1 LEU 45 3.040 -3.056 -5.284 382 HD12 LEU 45 2HD1 LEU 45 3.754 -3.744 -6.742 383 HD13 LEU 45 3HD1 LEU 45 3.811 -4.641 -5.224 384 HD21 LEU 45 3HD2 LEU 45 2.715 -4.790 -8.137 385 HD22 LEU 45 1HD2 LEU 45 0.989 -5.134 -8.041 386 HD23 LEU 45 2HD2 LEU 45 2.158 -6.317 -7.456 387 H LYS 46 H LYS 46 -0.238 -4.790 -2.627 388 HA LYS 46 HA LYS 46 0.146 -7.073 -0.984 389 HB2 LYS 46 2HB LYS 46 0.679 -5.001 0.004 390 HB3 LYS 46 1HB LYS 46 -0.831 -4.265 -0.507 391 HG2 LYS 46 2HG LYS 46 -2.018 -5.771 1.095 392 HG3 LYS 46 1HG LYS 46 -0.436 -6.284 1.688 393 HD2 LYS 46 2HD LYS 46 -0.732 -4.590 3.152 394 HD3 LYS 46 1HD LYS 46 -0.163 -3.597 1.809 395 HE2 LYS 46 2HE LYS 46 -2.070 -2.462 1.980 396 HE3 LYS 46 1HE LYS 46 -2.879 -3.890 1.334 397 HZ1 LYS 46 3HZ LYS 46 -2.773 -4.592 3.855 398 HZ2 LYS 46 1HZ LYS 46 -4.029 -3.628 3.258 399 HZ3 LYS 46 2HZ LYS 46 -2.737 -2.918 4.087 400 H ASP 47 H ASP 47 -2.769 -5.091 -1.559 401 HA ASP 47 HA ASP 47 -4.567 -6.811 -0.278 402 HB2 ASP 47 2HB ASP 47 -4.758 -4.536 -2.148 403 HB3 ASP 47 1HB ASP 47 -6.128 -5.642 -2.190 404 H GLU 48 H GLU 48 -3.172 -6.867 -3.463 405 HA GLU 48 HA GLU 48 -4.989 -8.819 -4.526 406 HB2 GLU 48 2HB GLU 48 -3.647 -7.085 -5.846 407 HB3 GLU 48 1HB GLU 48 -2.265 -8.147 -5.620 408 HG2 GLU 48 2HG GLU 48 -3.264 -9.876 -6.877 409 HG3 GLU 48 1HG GLU 48 -4.835 -9.077 -6.860 410 H ILE 49 H ILE 49 -1.532 -8.899 -3.591 411 HA ILE 49 HA ILE 49 -1.182 -11.633 -3.958 412 HB ILE 49 HB ILE 49 0.731 -10.165 -3.609 413 HG12 ILE 49 2HG1 ILE 49 2.053 -11.667 -2.282 414 HG13 ILE 49 1HG1 ILE 49 0.637 -12.231 -1.407 415 HG21 ILE 49 1HG2 ILE 49 0.323 -10.109 -0.671 416 HG22 ILE 49 2HG2 ILE 49 -0.537 -8.942 -1.670 417 HG23 ILE 49 3HG2 ILE 49 1.225 -9.008 -1.715 418 HD11 ILE 49 3HD1 ILE 49 -0.211 -13.203 -3.520 419 HD12 ILE 49 1HD1 ILE 49 1.312 -13.905 -2.974 420 HD13 ILE 49 2HD1 ILE 49 1.300 -12.737 -4.295 421 H LEU 50 H LEU 50 -2.841 -9.941 -1.445 422 HA LEU 50 HA LEU 50 -2.790 -12.180 0.380 423 HG LEU 50 HG LEU 50 -4.199 -11.835 2.440 424 HB2 LEU 50 2HB LEU 50 -3.171 -9.544 0.785 425 HB3 LEU 50 1HB LEU 50 -4.845 -10.069 0.680 426 HD11 LEU 50 1HD1 LEU 50 -1.922 -11.830 2.616 427 HD12 LEU 50 2HD1 LEU 50 -2.335 -10.711 3.916 428 HD13 LEU 50 3HD1 LEU 50 -1.800 -10.092 2.356 429 HD21 LEU 50 3HD2 LEU 50 -4.284 -9.955 4.249 430 HD22 LEU 50 1HD2 LEU 50 -5.670 -10.228 3.194 431 HD23 LEU 50 2HD2 LEU 50 -4.559 -8.900 2.863 432 H THR 51 H THR 51 -4.860 -10.842 -2.088 433 HA THR 51 HA THR 51 -7.207 -12.277 -1.572 434 HB THR 51 HB THR 51 -6.053 -11.207 -4.146 435 HG1 THR 51 1HG THR 51 -7.480 -9.541 -3.781 436 HG21 THR 51 3HG2 THR 51 -8.375 -11.308 -5.023 437 HG22 THR 51 1HG2 THR 51 -8.781 -12.345 -3.663 438 HG23 THR 51 2HG2 THR 51 -7.594 -12.879 -4.841 439 H PHE 52 H PHE 52 -4.189 -13.292 -3.005 440 HA PHE 52 HA PHE 52 -5.352 -15.700 -4.111 441 HD1 PHE 52 2HD PHE 52 -1.539 -14.408 -2.646 442 HD2 PHE 52 1HD PHE 52 -2.261 -17.546 -5.414 443 HE1 PHE 52 2HE PHE 52 0.532 -15.506 -1.909 444 HE2 PHE 52 1HE PHE 52 -0.192 -18.665 -4.688 445 HZ PHE 52 HZ PHE 52 1.209 -17.646 -2.937 446 HB2 PHE 52 2HB PHE 52 -3.582 -15.633 -5.474 447 HB3 PHE 52 1HB PHE 52 -3.069 -14.160 -4.670 448 H THR 53 H THR 53 -5.872 -15.583 -1.445 449 HA THR 53 HA THR 53 -5.256 -18.050 -0.470 450 HB THR 53 HB THR 53 -3.109 -16.063 0.157 451 HG1 THR 53 1HG THR 53 -1.844 -17.876 -0.064 452 HG21 THR 53 3HG2 THR 53 -2.536 -17.768 2.086 453 HG22 THR 53 1HG2 THR 53 -4.294 -17.882 2.175 454 HG23 THR 53 2HG2 THR 53 -3.502 -16.321 2.378 455 H VAL 54 H VAL 54 -5.001 -14.826 1.021 456 HA VAL 54 HA VAL 54 -6.136 -13.821 2.686 457 HB VAL 54 HB VAL 54 -7.855 -13.860 0.871 458 HG11 VAL 54 1HG1 VAL 54 -9.895 -15.329 1.605 459 HG12 VAL 54 2HG1 VAL 54 -8.639 -16.334 2.324 460 HG13 VAL 54 3HG1 VAL 54 -8.614 -16.000 0.594 461 HG21 VAL 54 3HG2 VAL 54 -9.297 -13.959 3.467 462 HG22 VAL 54 1HG2 VAL 54 -9.364 -12.754 2.180 463 HG23 VAL 54 2HG2 VAL 54 -7.983 -12.798 3.277 464 H THR 55 H THR 55 -7.334 -14.055 4.704 465 HA THR 55 HA THR 55 -7.521 -15.015 6.753 466 HB THR 55 HB THR 55 -8.634 -17.277 6.764 467 HG1 THR 55 1HG THR 55 -8.902 -18.340 4.957 468 HG21 THR 55 3HG2 THR 55 -10.703 -16.484 6.211 469 HG22 THR 55 1HG2 THR 55 -10.110 -15.596 4.806 470 HG23 THR 55 2HG2 THR 55 -9.810 -14.975 6.429 471 H GLU 56 H GLU 56 -6.705 -18.033 5.091 472 HA GLU 56 HA GLU 56 -4.758 -18.707 7.063 473 HB2 GLU 56 2HB GLU 56 -5.705 -19.945 4.505 474 HB3 GLU 56 1HB GLU 56 -4.232 -20.543 5.263 475 HG2 GLU 56 2HG GLU 56 -6.909 -20.360 6.642 476 HG3 GLU 56 1HG GLU 56 -6.283 -21.811 5.857 Start of MODEL 6 1 HA THR 1 HA THR 1 0.251 4.411 12.200 2 HB THR 1 HB THR 1 -0.214 5.132 14.509 3 HG1 THR 1 1HG THR 1 -1.957 6.323 13.984 4 H1 THR 1 1HT THR 1 2.668 5.601 13.356 5 H2 THR 1 2HT THR 1 2.482 4.109 12.524 6 H3 THR 1 3HT THR 1 1.835 4.302 14.103 7 HG21 THR 1 1HG2 THR 1 0.194 7.211 15.375 8 HG22 THR 1 2HG2 THR 1 0.334 7.966 13.789 9 HG23 THR 1 3HG2 THR 1 1.643 6.956 14.404 10 H THR 2 H THR 2 -0.784 5.932 10.739 11 HA THR 2 HA THR 2 0.744 8.243 9.890 12 HB THR 2 HB THR 2 0.502 7.229 7.448 13 HG1 THR 2 1HG THR 2 0.172 5.176 7.433 14 HG21 THR 2 3HG2 THR 2 2.803 5.955 8.673 15 HG22 THR 2 1HG2 THR 2 2.631 7.649 9.117 16 HG23 THR 2 2HG2 THR 2 2.719 7.194 7.418 17 H TYR 3 H TYR 3 -0.496 9.769 8.905 18 HA TYR 3 HA TYR 3 -3.350 9.388 9.010 19 HD1 TYR 3 2HD TYR 3 -4.152 12.098 6.652 20 HD2 TYR 3 1HD TYR 3 -3.950 11.976 10.900 21 HE1 TYR 3 2HE TYR 3 -6.384 13.127 6.782 22 HE2 TYR 3 1HE TYR 3 -6.181 12.997 11.036 23 HH TYR 3 HH TYR 3 -7.649 14.427 9.617 24 HB2 TYR 3 2HB TYR 3 -2.013 11.515 9.610 25 HB3 TYR 3 1HB TYR 3 -1.983 11.815 7.877 26 H LYS 4 H LYS 4 -0.914 9.130 6.614 27 HA LYS 4 HA LYS 4 -0.992 8.524 4.423 28 HB2 LYS 4 2HB LYS 4 -2.895 7.066 5.244 29 HB3 LYS 4 1HB LYS 4 -3.990 8.323 4.706 30 HG2 LYS 4 2HG LYS 4 -2.502 7.967 2.475 31 HG3 LYS 4 1HG LYS 4 -2.486 6.343 3.155 32 HD2 LYS 4 2HD LYS 4 -4.387 6.291 1.844 33 HD3 LYS 4 1HD LYS 4 -5.044 6.711 3.427 34 HE2 LYS 4 2HE LYS 4 -5.561 8.834 2.806 35 HE3 LYS 4 1HE LYS 4 -4.212 8.952 1.677 36 HZ1 LYS 4 3HZ LYS 4 -5.403 7.968 0.008 37 HZ2 LYS 4 1HZ LYS 4 -6.646 8.788 0.813 38 HZ3 LYS 4 2HZ LYS 4 -6.431 7.134 1.056 39 H LEU 5 H LEU 5 -0.540 11.020 4.590 40 HA LEU 5 HA LEU 5 -2.580 12.510 3.097 41 HG LEU 5 HG LEU 5 -2.891 13.086 5.463 42 HB2 LEU 5 2HB LEU 5 -0.237 13.362 4.775 43 HB3 LEU 5 1HB LEU 5 -1.031 14.476 3.679 44 HD11 LEU 5 1HD1 LEU 5 -0.809 13.346 6.880 45 HD12 LEU 5 2HD1 LEU 5 -2.281 14.106 7.493 46 HD13 LEU 5 3HD1 LEU 5 -1.042 15.093 6.718 47 HD21 LEU 5 3HD2 LEU 5 -4.049 15.012 5.280 48 HD22 LEU 5 1HD2 LEU 5 -2.980 15.277 3.903 49 HD23 LEU 5 2HD2 LEU 5 -2.612 16.015 5.461 50 H ILE 6 H ILE 6 -2.020 11.338 1.134 51 HA ILE 6 HA ILE 6 -1.080 11.270 -0.939 52 HB ILE 6 HB ILE 6 0.530 13.686 -0.106 53 HG12 ILE 6 2HG1 ILE 6 -1.880 14.078 -1.748 54 HG13 ILE 6 1HG1 ILE 6 -2.205 13.557 -0.099 55 HG21 ILE 6 1HG2 ILE 6 -0.390 13.322 -2.883 56 HG22 ILE 6 2HG2 ILE 6 0.843 12.185 -2.318 57 HG23 ILE 6 3HG2 ILE 6 1.148 13.925 -2.262 58 HD11 ILE 6 3HD1 ILE 6 -0.885 16.062 -1.059 59 HD12 ILE 6 1HD1 ILE 6 -0.611 15.465 0.578 60 HD13 ILE 6 2HD1 ILE 6 -2.246 15.869 0.048 61 H LEU 7 H LEU 7 0.287 9.706 -1.451 62 HA LEU 7 HA LEU 7 2.132 8.384 -1.554 63 HG LEU 7 HG LEU 7 4.754 10.553 -2.817 64 HB2 LEU 7 2HB LEU 7 3.176 11.077 -1.063 65 HB3 LEU 7 1HB LEU 7 4.257 9.804 -0.531 66 HD11 LEU 7 1HD1 LEU 7 3.684 7.742 -2.690 67 HD12 LEU 7 2HD1 LEU 7 5.276 8.265 -2.141 68 HD13 LEU 7 3HD1 LEU 7 4.857 8.360 -3.853 69 HD21 LEU 7 3HD2 LEU 7 3.253 10.273 -4.618 70 HD22 LEU 7 1HD2 LEU 7 2.337 11.075 -3.344 71 HD23 LEU 7 2HD2 LEU 7 2.121 9.351 -3.627 72 H ASN 8 H ASN 8 2.293 6.718 -0.235 73 HA ASN 8 HA ASN 8 3.511 6.891 2.321 74 HB2 ASN 8 2HB ASN 8 0.905 7.596 2.477 75 HB3 ASN 8 1HB ASN 8 0.758 5.857 2.673 76 HD21 ASN 8 1HD2 ASN 8 0.712 5.264 4.704 77 HD22 ASN 8 2HD2 ASN 8 1.562 6.009 6.010 78 H LEU 9 H LEU 9 4.416 5.412 0.419 79 HA LEU 9 HA LEU 9 3.236 2.802 0.244 80 HG LEU 9 HG LEU 9 6.290 4.757 0.076 81 HB2 LEU 9 2HB LEU 9 5.260 2.215 -1.021 82 HB3 LEU 9 1HB LEU 9 4.487 3.670 -1.628 83 HD11 LEU 9 1HD1 LEU 9 7.688 3.136 0.738 84 HD12 LEU 9 2HD1 LEU 9 8.380 3.306 -0.875 85 HD13 LEU 9 3HD1 LEU 9 7.191 2.044 -0.555 86 HD21 LEU 9 3HD2 LEU 9 6.357 5.741 -1.954 87 HD22 LEU 9 1HD2 LEU 9 6.172 4.214 -2.818 88 HD23 LEU 9 2HD2 LEU 9 7.750 4.685 -2.187 89 H LYS 10 H LYS 10 5.745 4.317 2.147 90 HA LYS 10 HA LYS 10 7.146 2.159 3.119 91 HB2 LYS 10 2HB LYS 10 7.348 4.729 3.601 92 HB3 LYS 10 1HB LYS 10 6.341 4.352 4.991 93 HG2 LYS 10 2HG LYS 10 7.975 2.890 5.892 94 HG3 LYS 10 1HG LYS 10 8.922 2.929 4.402 95 HD2 LYS 10 2HD LYS 10 9.210 5.405 4.790 96 HD3 LYS 10 1HD LYS 10 8.509 5.153 6.391 97 HE2 LYS 10 2HE LYS 10 10.650 4.843 7.005 98 HE3 LYS 10 1HE LYS 10 10.395 3.221 6.368 99 HZ1 LYS 10 3HZ LYS 10 11.254 4.057 4.210 100 HZ2 LYS 10 1HZ LYS 10 12.402 4.083 5.454 101 HZ3 LYS 10 2HZ LYS 10 11.651 5.517 4.967 102 H GLN 11 H GLN 11 3.992 3.363 4.077 103 HA GLN 11 HA GLN 11 3.745 1.355 6.162 104 HB2 GLN 11 2HB GLN 11 2.795 3.896 5.959 105 HB3 GLN 11 1HB GLN 11 1.390 2.975 5.438 106 HG2 GLN 11 2HG GLN 11 2.680 1.957 7.862 107 HG3 GLN 11 1HG GLN 11 1.994 3.573 8.014 108 HE21 GLN 11 1HE2 GLN 11 0.065 3.478 8.897 109 HE22 GLN 11 2HE2 GLN 11 -1.156 2.304 8.561 110 H ALA 12 H ALA 12 2.692 1.968 2.915 111 HA ALA 12 HA ALA 12 0.544 0.154 2.797 112 HB1 ALA 12 1HB ALA 12 2.405 1.006 0.576 113 HB2 ALA 12 2HB ALA 12 0.950 1.865 1.081 114 HB3 ALA 12 3HB ALA 12 0.822 0.253 0.376 115 H LYS 13 H LYS 13 4.015 -0.202 2.354 116 HA LYS 13 HA LYS 13 3.742 -3.003 1.675 117 HB2 LYS 13 2HB LYS 13 5.921 -2.984 0.994 118 HB3 LYS 13 1HB LYS 13 5.525 -1.288 0.789 119 HG2 LYS 13 2HG LYS 13 6.623 -1.920 3.429 120 HG3 LYS 13 1HG LYS 13 7.712 -2.258 2.085 121 HD2 LYS 13 2HD LYS 13 6.914 0.109 1.270 122 HD3 LYS 13 1HD LYS 13 6.555 0.331 2.982 123 HE2 LYS 13 2HE LYS 13 8.762 1.141 2.630 124 HE3 LYS 13 1HE LYS 13 8.910 -0.402 3.467 125 HZ1 LYS 13 3HZ LYS 13 10.321 0.195 1.324 126 HZ2 LYS 13 1HZ LYS 13 8.970 -0.473 0.554 127 HZ3 LYS 13 2HZ LYS 13 9.843 -1.388 1.678 128 H GLU 14 H GLU 14 4.676 -1.062 4.469 129 HA GLU 14 HA GLU 14 5.751 -3.133 6.031 130 HB2 GLU 14 2HB GLU 14 5.749 -1.646 7.778 131 HB3 GLU 14 1HB GLU 14 5.585 -0.523 6.441 132 HG2 GLU 14 2HG GLU 14 4.032 0.247 7.955 133 HG3 GLU 14 1HG GLU 14 3.052 -0.731 6.870 134 H GLU 15 H GLU 15 2.448 -1.977 5.612 135 HA GLU 15 HA GLU 15 1.268 -3.857 7.407 136 HB2 GLU 15 2HB GLU 15 0.154 -1.739 6.748 137 HB3 GLU 15 1HB GLU 15 0.030 -2.341 5.098 138 HG2 GLU 15 2HG GLU 15 -2.045 -2.865 5.840 139 HG3 GLU 15 1HG GLU 15 -1.198 -4.346 6.292 140 H ALA 16 H ALA 16 2.169 -3.765 4.054 141 HA ALA 16 HA ALA 16 0.705 -6.033 3.217 142 HB1 ALA 16 1HB ALA 16 1.595 -4.241 1.721 143 HB2 ALA 16 2HB ALA 16 1.923 -5.886 1.185 144 HB3 ALA 16 3HB ALA 16 3.201 -4.938 1.945 145 H ILE 17 H ILE 17 4.045 -5.570 4.364 146 HA ILE 17 HA ILE 17 4.924 -8.192 3.864 147 HB ILE 17 HB ILE 17 6.483 -6.388 4.444 148 HG12 ILE 17 2HG1 ILE 17 7.471 -7.902 6.546 149 HG13 ILE 17 1HG1 ILE 17 6.453 -9.039 5.669 150 HG21 ILE 17 1HG2 ILE 17 5.647 -5.063 6.083 151 HG22 ILE 17 2HG2 ILE 17 6.707 -6.079 7.056 152 HG23 ILE 17 3HG2 ILE 17 4.980 -6.413 6.997 153 HD11 ILE 17 3HD1 ILE 17 8.662 -9.226 4.825 154 HD12 ILE 17 1HD1 ILE 17 8.793 -7.482 4.605 155 HD13 ILE 17 2HD1 ILE 17 7.693 -8.418 3.594 156 H LYS 18 H LYS 18 3.113 -6.751 6.485 157 HA LYS 18 HA LYS 18 3.167 -9.048 8.182 158 HB2 LYS 18 2HB LYS 18 1.321 -6.654 8.065 159 HB3 LYS 18 1HB LYS 18 1.207 -7.909 9.293 160 HG2 LYS 18 2HG LYS 18 3.882 -6.759 9.002 161 HG3 LYS 18 1HG LYS 18 2.646 -5.611 9.520 162 HD2 LYS 18 2HD LYS 18 2.537 -8.201 10.890 163 HD3 LYS 18 1HD LYS 18 4.021 -7.290 11.177 164 HE2 LYS 18 2HE LYS 18 2.175 -5.336 11.461 165 HE3 LYS 18 1HE LYS 18 1.253 -6.731 12.019 166 HZ1 LYS 18 3HZ LYS 18 2.707 -7.103 13.758 167 HZ2 LYS 18 1HZ LYS 18 2.651 -5.414 13.693 168 HZ3 LYS 18 2HZ LYS 18 3.972 -6.239 13.039 169 H GLU 19 H GLU 19 1.224 -7.884 5.544 170 HA GLU 19 HA GLU 19 -1.010 -9.577 5.802 171 HB2 GLU 19 2HB GLU 19 0.007 -7.659 3.928 172 HB3 GLU 19 1HB GLU 19 -0.524 -9.083 3.048 173 HG2 GLU 19 2HG GLU 19 -2.314 -7.485 3.177 174 HG3 GLU 19 1HG GLU 19 -2.721 -8.907 4.141 175 H LEU 20 H LEU 20 1.896 -9.902 3.755 176 HA LEU 20 HA LEU 20 1.152 -12.547 2.927 177 HG LEU 20 HG LEU 20 2.269 -13.439 1.217 178 HB2 LEU 20 2HB LEU 20 2.721 -10.661 1.823 179 HB3 LEU 20 1HB LEU 20 3.955 -11.630 2.602 180 HD11 LEU 20 1HD1 LEU 20 1.440 -11.574 -0.091 181 HD12 LEU 20 2HD1 LEU 20 2.459 -12.626 -1.074 182 HD13 LEU 20 3HD1 LEU 20 3.092 -11.092 -0.479 183 HD21 LEU 20 3HD2 LEU 20 4.836 -12.642 0.008 184 HD22 LEU 20 1HD2 LEU 20 4.242 -14.237 0.470 185 HD23 LEU 20 2HD2 LEU 20 4.900 -13.153 1.695 186 H VAL 21 H VAL 21 3.318 -11.179 5.345 187 HA VAL 21 HA VAL 21 4.682 -13.576 5.975 188 HB VAL 21 HB VAL 21 4.215 -11.048 7.549 189 HG11 VAL 21 1HG1 VAL 21 5.429 -13.620 8.434 190 HG12 VAL 21 2HG1 VAL 21 4.476 -12.449 9.346 191 HG13 VAL 21 3HG1 VAL 21 6.166 -12.111 8.971 192 HG21 VAL 21 3HG2 VAL 21 5.775 -11.173 5.527 193 HG22 VAL 21 1HG2 VAL 21 6.816 -12.165 6.547 194 HG23 VAL 21 2HG2 VAL 21 6.436 -10.510 7.022 195 H ASP 22 H ASP 22 1.605 -12.248 6.923 196 HA ASP 22 HA ASP 22 1.249 -14.298 8.953 197 HB2 ASP 22 2HB ASP 22 -0.386 -11.917 8.100 198 HB3 ASP 22 1HB ASP 22 -1.047 -13.149 9.172 199 H ALA 23 H ALA 23 0.168 -13.478 5.722 200 HA ALA 23 HA ALA 23 -1.819 -15.576 5.679 201 HB1 ALA 23 1HB ALA 23 -1.864 -13.308 4.419 202 HB2 ALA 23 2HB ALA 23 -2.494 -14.756 3.637 203 HB3 ALA 23 3HB ALA 23 -0.885 -14.160 3.224 204 H GLY 24 H GLY 24 1.533 -15.367 5.136 205 HA2 GLY 24 2HA GLY 24 3.084 -16.843 4.311 206 HA3 GLY 24 1HA GLY 24 1.893 -18.084 4.690 207 H ILE 25 H ILE 25 3.663 -16.665 2.203 208 HA ILE 25 HA ILE 25 2.660 -18.363 0.240 209 HB ILE 25 HB ILE 25 1.855 -16.088 -1.142 210 HG12 ILE 25 2HG1 ILE 25 0.112 -16.113 1.287 211 HG13 ILE 25 1HG1 ILE 25 1.595 -15.170 1.337 212 HG21 ILE 25 1HG2 ILE 25 0.903 -18.205 -1.543 213 HG22 ILE 25 2HG2 ILE 25 -0.413 -17.174 -0.981 214 HG23 ILE 25 3HG2 ILE 25 0.321 -18.342 0.117 215 HD11 ILE 25 3HD1 ILE 25 -0.685 -14.857 -0.588 216 HD12 ILE 25 1HD1 ILE 25 0.846 -13.993 -0.709 217 HD13 ILE 25 2HD1 ILE 25 -0.198 -13.746 0.691 218 H ALA 26 H ALA 26 3.168 -17.191 -2.102 219 HA ALA 26 HA ALA 26 5.856 -17.259 -2.443 220 HB1 ALA 26 1HB ALA 26 3.685 -15.920 -3.974 221 HB2 ALA 26 2HB ALA 26 4.737 -17.257 -4.438 222 HB3 ALA 26 3HB ALA 26 5.361 -15.605 -4.432 223 H GLU 27 H GLU 27 7.096 -16.224 -0.919 224 HA GLU 27 HA GLU 27 6.825 -13.655 0.054 225 HB2 GLU 27 2HB GLU 27 9.029 -15.592 -0.180 226 HB3 GLU 27 1HB GLU 27 9.550 -13.919 -0.062 227 HG2 GLU 27 2HG GLU 27 7.855 -13.866 1.940 228 HG3 GLU 27 1HG GLU 27 8.125 -15.608 1.925 229 H LYS 28 H LYS 28 7.924 -14.714 -3.047 230 HA LYS 28 HA LYS 28 9.433 -12.638 -4.014 231 HB2 LYS 28 2HB LYS 28 9.132 -14.414 -5.496 232 HB3 LYS 28 1HB LYS 28 7.392 -14.446 -5.270 233 HG2 LYS 28 2HG LYS 28 7.199 -13.386 -7.191 234 HG3 LYS 28 1HG LYS 28 7.918 -11.967 -6.433 235 HD2 LYS 28 2HD LYS 28 9.306 -12.286 -8.252 236 HD3 LYS 28 1HD LYS 28 10.171 -13.148 -6.977 237 HE2 LYS 28 2HE LYS 28 8.218 -14.801 -8.382 238 HE3 LYS 28 1HE LYS 28 9.485 -14.171 -9.433 239 HZ1 LYS 28 3HZ LYS 28 10.099 -16.304 -8.481 240 HZ2 LYS 28 1HZ LYS 28 9.926 -15.686 -6.916 241 HZ3 LYS 28 2HZ LYS 28 11.140 -15.089 -7.931 242 H TYR 29 H TYR 29 5.890 -12.810 -3.818 243 HA TYR 29 HA TYR 29 5.390 -10.303 -4.980 244 HD1 TYR 29 1HD TYR 29 3.848 -13.354 -5.668 245 HD2 TYR 29 2HD TYR 29 2.236 -9.460 -5.084 246 HE1 TYR 29 1HE TYR 29 2.678 -13.521 -7.826 247 HE2 TYR 29 2HE TYR 29 1.062 -9.616 -7.239 248 HH TYR 29 HH TYR 29 0.749 -12.537 -8.955 249 HB2 TYR 29 2HB TYR 29 3.852 -12.280 -3.450 250 HB3 TYR 29 1HB TYR 29 3.289 -10.617 -3.267 251 H ILE 30 H ILE 30 6.258 -11.305 -1.763 252 HA ILE 30 HA ILE 30 5.645 -8.944 -0.372 253 HB ILE 30 HB ILE 30 6.686 -11.383 0.338 254 HG12 ILE 30 2HG1 ILE 30 6.661 -8.841 1.976 255 HG13 ILE 30 1HG1 ILE 30 5.292 -9.915 1.718 256 HG21 ILE 30 1HG2 ILE 30 8.962 -10.415 -0.361 257 HG22 ILE 30 2HG2 ILE 30 8.841 -11.215 1.205 258 HG23 ILE 30 3HG2 ILE 30 8.846 -9.455 1.113 259 HD11 ILE 30 3HD1 ILE 30 6.510 -10.123 3.921 260 HD12 ILE 30 1HD1 ILE 30 7.837 -10.841 3.007 261 HD13 ILE 30 2HD1 ILE 30 6.253 -11.617 3.020 262 H LYS 31 H LYS 31 8.179 -9.786 -2.576 263 HA LYS 31 HA LYS 31 9.939 -7.650 -1.842 264 HB2 LYS 31 2HB LYS 31 10.838 -9.659 -2.891 265 HB3 LYS 31 1HB LYS 31 9.867 -9.373 -4.328 266 HG2 LYS 31 2HG LYS 31 11.131 -7.109 -4.428 267 HG3 LYS 31 1HG LYS 31 12.285 -7.914 -3.362 268 HD2 LYS 31 2HD LYS 31 13.226 -8.645 -5.264 269 HD3 LYS 31 1HD LYS 31 11.896 -9.806 -5.291 270 HE2 LYS 31 2HE LYS 31 10.874 -8.786 -7.018 271 HE3 LYS 31 1HE LYS 31 11.269 -7.171 -6.430 272 HZ1 LYS 31 3HZ LYS 31 12.378 -8.274 -8.583 273 HZ2 LYS 31 1HZ LYS 31 13.508 -8.735 -7.411 274 HZ3 LYS 31 2HZ LYS 31 13.147 -7.099 -7.639 275 H LEU 32 H LEU 32 7.378 -8.120 -4.245 276 HA LEU 32 HA LEU 32 7.880 -5.804 -5.759 277 HG LEU 32 HG LEU 32 5.752 -8.651 -5.083 278 HB2 LEU 32 2HB LEU 32 5.024 -6.369 -5.401 279 HB3 LEU 32 1HB LEU 32 5.976 -6.251 -6.874 280 HD11 LEU 32 1HD1 LEU 32 3.782 -8.047 -6.541 281 HD12 LEU 32 2HD1 LEU 32 4.461 -9.657 -6.773 282 HD13 LEU 32 3HD1 LEU 32 4.829 -8.371 -7.923 283 HD21 LEU 32 3HD2 LEU 32 7.031 -8.747 -7.762 284 HD22 LEU 32 1HD2 LEU 32 7.315 -9.750 -6.341 285 HD23 LEU 32 2HD2 LEU 32 7.967 -8.113 -6.409 286 H ILE 33 H ILE 33 6.252 -6.322 -2.731 287 HA ILE 33 HA ILE 33 5.401 -3.538 -2.564 288 HB ILE 33 HB ILE 33 4.648 -4.345 -0.210 289 HG12 ILE 33 2HG1 ILE 33 4.882 -6.982 -1.672 290 HG13 ILE 33 1HG1 ILE 33 5.878 -6.481 -0.310 291 HG21 ILE 33 1HG2 ILE 33 2.965 -3.743 -1.650 292 HG22 ILE 33 2HG2 ILE 33 2.602 -5.445 -1.371 293 HG23 ILE 33 3HG2 ILE 33 3.413 -4.947 -2.858 294 HD11 ILE 33 3HD1 ILE 33 2.903 -6.713 -0.175 295 HD12 ILE 33 1HD1 ILE 33 4.043 -6.521 1.154 296 HD13 ILE 33 2HD1 ILE 33 4.007 -8.025 0.237 297 H ALA 34 H ALA 34 7.525 -5.810 -0.860 298 HA ALA 34 HA ALA 34 8.442 -4.056 1.105 299 HB1 ALA 34 1HB ALA 34 9.950 -6.345 -0.153 300 HB2 ALA 34 2HB ALA 34 8.796 -6.485 1.174 301 HB3 ALA 34 3HB ALA 34 10.298 -5.592 1.404 302 H ASN 35 H ASN 35 9.313 -4.429 -2.247 303 HA ASN 35 HA ASN 35 11.670 -2.756 -1.998 304 HB2 ASN 35 2HB ASN 35 11.824 -4.593 -3.543 305 HB3 ASN 35 1HB ASN 35 10.354 -4.084 -4.375 306 HD21 ASN 35 1HD2 ASN 35 10.654 -3.025 -6.190 307 HD22 ASN 35 2HD2 ASN 35 12.058 -2.114 -6.623 308 H ALA 36 H ALA 36 8.345 -2.296 -2.407 309 HA ALA 36 HA ALA 36 7.054 -0.487 -2.895 310 HB1 ALA 36 1HB ALA 36 8.585 0.512 -1.201 311 HB2 ALA 36 2HB ALA 36 7.933 1.677 -2.351 312 HB3 ALA 36 3HB ALA 36 9.591 1.104 -2.522 313 H LYS 37 H LYS 37 8.614 1.957 -4.191 314 HA LYS 37 HA LYS 37 9.380 2.584 -6.288 315 HB2 LYS 37 2HB LYS 37 9.925 0.071 -6.659 316 HB3 LYS 37 1HB LYS 37 8.379 0.027 -7.509 317 HG2 LYS 37 2HG LYS 37 9.154 1.223 -9.267 318 HG3 LYS 37 1HG LYS 37 10.261 2.175 -8.276 319 HD2 LYS 37 2HD LYS 37 11.779 0.886 -9.392 320 HD3 LYS 37 1HD LYS 37 11.463 -0.173 -8.016 321 HE2 LYS 37 2HE LYS 37 9.495 -0.749 -9.948 322 HE3 LYS 37 1HE LYS 37 11.028 -0.647 -10.810 323 HZ1 LYS 37 3HZ LYS 37 10.509 -2.332 -8.419 324 HZ2 LYS 37 1HZ LYS 37 11.968 -2.249 -9.273 325 HZ3 LYS 37 2HZ LYS 37 10.589 -2.889 -10.014 326 H THR 38 H THR 38 6.362 0.799 -5.951 327 HA THR 38 HA THR 38 5.002 2.990 -7.360 328 HB THR 38 HB THR 38 3.351 1.180 -8.130 329 HG1 THR 38 1HG THR 38 4.228 -0.895 -8.275 330 HG21 THR 38 3HG2 THR 38 4.471 1.958 -9.940 331 HG22 THR 38 1HG2 THR 38 5.102 0.311 -9.901 332 HG23 THR 38 2HG2 THR 38 6.058 1.637 -9.237 333 H VAL 39 H VAL 39 4.613 3.849 -5.247 334 HA VAL 39 HA VAL 39 3.563 2.695 -3.028 335 HB VAL 39 HB VAL 39 4.063 5.094 -3.195 336 HG11 VAL 39 1HG1 VAL 39 2.682 6.654 -4.263 337 HG12 VAL 39 2HG1 VAL 39 1.370 5.490 -4.457 338 HG13 VAL 39 3HG1 VAL 39 2.838 5.332 -5.421 339 HG21 VAL 39 3HG2 VAL 39 2.935 5.194 -1.287 340 HG22 VAL 39 1HG2 VAL 39 1.864 3.896 -1.811 341 HG23 VAL 39 2HG2 VAL 39 1.474 5.564 -2.193 342 H GLU 40 H GLU 40 1.605 3.785 -5.815 343 HA GLU 40 HA GLU 40 -0.882 3.020 -4.779 344 HB2 GLU 40 2HB GLU 40 0.178 3.841 -7.351 345 HB3 GLU 40 1HB GLU 40 -1.039 2.590 -7.544 346 HG2 GLU 40 2HG GLU 40 -2.701 3.967 -7.047 347 HG3 GLU 40 1HG GLU 40 -1.850 4.632 -5.656 348 H GLY 41 H GLY 41 1.534 1.227 -6.630 349 HA2 GLY 41 2HA GLY 41 0.002 -1.162 -6.851 350 HA3 GLY 41 1HA GLY 41 1.739 -1.021 -7.075 351 H VAL 42 H VAL 42 2.604 -0.172 -4.608 352 HA VAL 42 HA VAL 42 2.964 -2.427 -3.122 353 HB VAL 42 HB VAL 42 2.603 0.286 -1.843 354 HG11 VAL 42 1HG1 VAL 42 3.703 -0.528 -0.049 355 HG12 VAL 42 2HG1 VAL 42 4.745 -1.565 -1.022 356 HG13 VAL 42 3HG1 VAL 42 3.098 -2.073 -0.645 357 HG21 VAL 42 3HG2 VAL 42 4.740 -0.752 -3.635 358 HG22 VAL 42 1HG2 VAL 42 5.207 0.265 -2.271 359 HG23 VAL 42 2HG2 VAL 42 4.083 0.877 -3.484 360 H TRP 43 H TRP 43 0.271 -0.152 -2.901 361 HA TRP 43 HA TRP 43 -0.996 -1.577 -0.743 362 HD1 TRP 43 HD TRP 43 -4.706 0.063 -2.204 363 HE1 TRP 43 1HE TRP 43 -6.263 -0.084 -0.160 364 HE3 TRP 43 3HE TRP 43 -1.186 0.124 1.504 365 HZ2 TRP 43 2HZ TRP 43 -6.032 -0.165 2.652 366 HZ3 TRP 43 3HZ TRP 43 -1.938 0.008 3.845 367 HH2 TRP 43 HH TRP 43 -4.310 -0.132 4.406 368 HB2 TRP 43 2HB TRP 43 -1.224 0.891 -1.081 369 HB3 TRP 43 1HB TRP 43 -2.174 0.563 -2.527 370 H THR 44 H THR 44 -1.248 -1.485 -4.256 371 HA THR 44 HA THR 44 -3.685 -3.036 -4.298 372 HB THR 44 HB THR 44 -1.862 -2.721 -6.663 373 HG1 THR 44 1HG THR 44 -2.622 -0.677 -6.988 374 HG21 THR 44 3HG2 THR 44 -4.447 -3.713 -6.347 375 HG22 THR 44 1HG2 THR 44 -3.614 -3.342 -7.857 376 HG23 THR 44 2HG2 THR 44 -4.635 -2.125 -7.090 377 H LEU 45 H LEU 45 -0.291 -3.654 -5.100 378 HA LEU 45 HA LEU 45 -0.511 -6.340 -5.799 379 HB2 LEU 45 2HB LEU 45 1.593 -4.467 -5.202 380 HB3 LEU 45 1HB LEU 45 1.956 -6.016 -4.468 381 HD11 LEU 45 1HD1 LEU 45 0.572 -4.739 -7.630 382 HD12 LEU 45 2HD1 LEU 45 0.105 -6.439 -7.667 383 HD13 LEU 45 3HD1 LEU 45 1.431 -5.866 -8.677 384 HD21 LEU 45 3HD2 LEU 45 3.708 -5.029 -6.011 385 HD22 LEU 45 1HD2 LEU 45 3.171 -4.666 -7.652 386 HD23 LEU 45 2HD2 LEU 45 3.937 -6.214 -7.296 387 H LYS 46 H LYS 46 -0.286 -4.765 -2.686 388 HA LYS 46 HA LYS 46 0.148 -7.106 -1.139 389 HB2 LYS 46 2HB LYS 46 0.715 -5.083 -0.083 390 HB3 LYS 46 1HB LYS 46 -0.792 -4.311 -0.544 391 HG2 LYS 46 2HG LYS 46 -1.922 -5.984 1.028 392 HG3 LYS 46 1HG LYS 46 -0.301 -6.291 1.650 393 HD2 LYS 46 2HD LYS 46 -0.226 -4.325 2.743 394 HD3 LYS 46 1HD LYS 46 -0.985 -3.451 1.413 395 HE2 LYS 46 2HE LYS 46 -2.782 -5.294 2.803 396 HE3 LYS 46 1HE LYS 46 -2.154 -4.005 3.827 397 HZ1 LYS 46 3HZ LYS 46 -2.879 -2.429 2.050 398 HZ2 LYS 46 1HZ LYS 46 -4.144 -3.224 2.846 399 HZ3 LYS 46 2HZ LYS 46 -3.675 -3.719 1.299 400 H ASP 47 H ASP 47 -2.773 -5.093 -1.517 401 HA ASP 47 HA ASP 47 -4.539 -6.856 -0.258 402 HB2 ASP 47 2HB ASP 47 -4.753 -4.475 -1.952 403 HB3 ASP 47 1HB ASP 47 -6.110 -5.583 -2.140 404 H GLU 48 H GLU 48 -3.309 -6.755 -3.522 405 HA GLU 48 HA GLU 48 -5.165 -8.666 -4.575 406 HB2 GLU 48 2HB GLU 48 -3.804 -6.872 -5.849 407 HB3 GLU 48 1HB GLU 48 -2.489 -8.036 -5.789 408 HG2 GLU 48 2HG GLU 48 -4.503 -9.587 -6.717 409 HG3 GLU 48 1HG GLU 48 -4.936 -8.023 -7.406 410 H ILE 49 H ILE 49 -1.676 -8.812 -3.764 411 HA ILE 49 HA ILE 49 -1.372 -11.529 -4.292 412 HB ILE 49 HB ILE 49 0.568 -10.087 -3.942 413 HG12 ILE 49 2HG1 ILE 49 1.903 -11.698 -2.674 414 HG13 ILE 49 1HG1 ILE 49 0.443 -12.380 -1.975 415 HG21 ILE 49 1HG2 ILE 49 -0.546 -8.956 -1.893 416 HG22 ILE 49 2HG2 ILE 49 1.207 -9.139 -1.958 417 HG23 ILE 49 3HG2 ILE 49 0.235 -10.250 -0.988 418 HD11 ILE 49 3HD1 ILE 49 1.507 -13.647 -3.891 419 HD12 ILE 49 1HD1 ILE 49 0.924 -12.349 -4.933 420 HD13 ILE 49 2HD1 ILE 49 -0.224 -13.320 -4.012 421 H LEU 50 H LEU 50 -2.897 -9.962 -1.614 422 HA LEU 50 HA LEU 50 -2.770 -12.285 0.095 423 HG LEU 50 HG LEU 50 -4.200 -12.125 2.114 424 HB2 LEU 50 2HB LEU 50 -3.074 -9.741 0.730 425 HB3 LEU 50 1HB LEU 50 -4.777 -10.101 0.487 426 HD11 LEU 50 1HD1 LEU 50 -1.997 -10.178 2.430 427 HD12 LEU 50 2HD1 LEU 50 -2.005 -11.926 2.656 428 HD13 LEU 50 3HD1 LEU 50 -2.684 -10.871 3.897 429 HD21 LEU 50 3HD2 LEU 50 -5.715 -9.955 2.301 430 HD22 LEU 50 1HD2 LEU 50 -4.483 -9.507 3.481 431 HD23 LEU 50 2HD2 LEU 50 -5.400 -11.000 3.686 432 H THR 51 H THR 51 -5.002 -10.828 -2.182 433 HA THR 51 HA THR 51 -7.274 -12.373 -1.645 434 HB THR 51 HB THR 51 -6.287 -11.112 -4.206 435 HG1 THR 51 1HG THR 51 -7.456 -9.430 -3.594 436 HG21 THR 51 3HG2 THR 51 -7.827 -12.777 -4.920 437 HG22 THR 51 1HG2 THR 51 -8.657 -11.220 -4.953 438 HG23 THR 51 2HG2 THR 51 -8.955 -12.354 -3.640 439 H PHE 52 H PHE 52 -4.297 -13.184 -3.257 440 HA PHE 52 HA PHE 52 -5.415 -15.584 -4.447 441 HD1 PHE 52 1HD PHE 52 -1.966 -14.688 -2.698 442 HD2 PHE 52 2HD PHE 52 -1.935 -16.604 -6.492 443 HE1 PHE 52 1HE PHE 52 0.220 -15.679 -2.165 444 HE2 PHE 52 2HE PHE 52 0.246 -17.616 -5.965 445 HZ PHE 52 HZ PHE 52 1.326 -17.155 -3.801 446 HB2 PHE 52 2HB PHE 52 -3.745 -15.345 -5.916 447 HB3 PHE 52 1HB PHE 52 -3.271 -13.880 -5.073 448 H THR 53 H THR 53 -5.082 -15.059 -1.446 449 HA THR 53 HA THR 53 -4.120 -17.724 -0.850 450 HB THR 53 HB THR 53 -2.135 -16.223 -0.683 451 HG1 THR 53 1HG THR 53 -2.946 -17.327 1.796 452 HG21 THR 53 3HG2 THR 53 -2.272 -15.086 1.758 453 HG22 THR 53 1HG2 THR 53 -3.888 -14.755 1.138 454 HG23 THR 53 2HG2 THR 53 -2.471 -14.225 0.235 455 H VAL 54 H VAL 54 -6.638 -17.345 -0.745 456 HA VAL 54 HA VAL 54 -7.261 -17.384 2.075 457 HB VAL 54 HB VAL 54 -7.551 -14.988 1.380 458 HG11 VAL 54 1HG1 VAL 54 -9.596 -16.245 -0.399 459 HG12 VAL 54 2HG1 VAL 54 -8.413 -14.994 -0.768 460 HG13 VAL 54 3HG1 VAL 54 -9.826 -14.611 0.214 461 HG21 VAL 54 3HG2 VAL 54 -9.575 -16.703 2.668 462 HG22 VAL 54 1HG2 VAL 54 -10.081 -15.065 2.254 463 HG23 VAL 54 2HG2 VAL 54 -8.680 -15.318 3.302 464 H THR 55 H THR 55 -9.029 -18.624 2.591 465 HA THR 55 HA THR 55 -9.803 -20.601 0.760 466 HB THR 55 HB THR 55 -11.654 -20.076 3.000 467 HG1 THR 55 1HG THR 55 -8.936 -20.728 3.494 468 HG21 THR 55 3HG2 THR 55 -11.905 -22.266 2.911 469 HG22 THR 55 1HG2 THR 55 -10.181 -22.522 3.168 470 HG23 THR 55 2HG2 THR 55 -10.802 -22.300 1.533 471 H GLU 56 H GLU 56 -12.005 -18.251 2.292 472 HA GLU 56 HA GLU 56 -13.823 -18.499 0.042 473 HB2 GLU 56 2HB GLU 56 -13.973 -17.499 2.812 474 HB3 GLU 56 1HB GLU 56 -14.949 -16.617 1.647 475 HG2 GLU 56 2HG GLU 56 -15.892 -18.843 0.935 476 HG3 GLU 56 1HG GLU 56 -15.085 -19.535 2.341 Start of MODEL 7 1 HA THR 1 HA THR 1 6.479 23.762 -1.436 2 HB THR 1 HB THR 1 4.915 24.356 -3.929 3 HG1 THR 1 1HG THR 1 3.632 25.775 -2.655 4 H1 THR 1 1HT THR 1 8.187 25.226 -2.496 5 H2 THR 1 2HT THR 1 6.893 25.986 -1.659 6 H3 THR 1 3HT THR 1 6.886 25.923 -3.375 7 HG21 THR 1 1HG2 THR 1 3.678 22.715 -3.107 8 HG22 THR 1 2HG2 THR 1 3.203 23.829 -1.824 9 HG23 THR 1 3HG2 THR 1 4.555 22.728 -1.576 10 H THR 2 H THR 2 5.868 21.685 -2.695 11 HA THR 2 HA THR 2 7.867 21.223 -4.809 12 HB THR 2 HB THR 2 7.784 18.802 -3.827 13 HG1 THR 2 1HG THR 2 6.238 19.082 -2.269 14 HG21 THR 2 3HG2 THR 2 9.415 21.089 -3.135 15 HG22 THR 2 1HG2 THR 2 9.882 19.425 -3.490 16 HG23 THR 2 2HG2 THR 2 9.362 19.871 -1.865 17 H TYR 3 H TYR 3 4.802 20.119 -3.415 18 HA TYR 3 HA TYR 3 2.943 19.214 -4.353 19 HD1 TYR 3 1HD TYR 3 0.978 18.820 -6.436 20 HD2 TYR 3 2HD TYR 3 2.431 22.733 -5.629 21 HE1 TYR 3 1HE TYR 3 -1.335 19.621 -6.184 22 HE2 TYR 3 2HE TYR 3 0.122 23.547 -5.376 23 HH TYR 3 HH TYR 3 -2.081 22.714 -4.903 24 HB2 TYR 3 2HB TYR 3 3.935 21.085 -6.252 25 HB3 TYR 3 1HB TYR 3 3.351 19.679 -7.136 26 H LYS 4 H LYS 4 5.709 17.834 -4.414 27 HA LYS 4 HA LYS 4 4.793 15.367 -5.460 28 HB2 LYS 4 2HB LYS 4 5.451 16.749 -7.539 29 HB3 LYS 4 1HB LYS 4 7.109 16.481 -7.016 30 HG2 LYS 4 2HG LYS 4 6.144 13.959 -6.926 31 HG3 LYS 4 1HG LYS 4 5.189 14.633 -8.249 32 HD2 LYS 4 2HD LYS 4 6.965 14.087 -9.514 33 HD3 LYS 4 1HD LYS 4 7.674 15.563 -8.853 34 HE2 LYS 4 2HE LYS 4 8.372 13.916 -6.908 35 HE3 LYS 4 1HE LYS 4 8.225 12.713 -8.191 36 HZ1 LYS 4 3HZ LYS 4 10.424 13.381 -8.310 37 HZ2 LYS 4 1HZ LYS 4 10.072 15.007 -8.004 38 HZ3 LYS 4 2HZ LYS 4 9.696 14.333 -9.510 39 H LEU 5 H LEU 5 5.443 14.546 -3.493 40 HA LEU 5 HA LEU 5 8.354 14.339 -3.126 41 HG LEU 5 HG LEU 5 6.937 16.765 -2.356 42 HB2 LEU 5 2HB LEU 5 6.369 14.628 -0.873 43 HB3 LEU 5 1HB LEU 5 8.115 14.548 -0.740 44 HD11 LEU 5 1HD1 LEU 5 7.182 17.051 0.613 45 HD12 LEU 5 2HD1 LEU 5 5.679 16.487 -0.123 46 HD13 LEU 5 3HD1 LEU 5 6.328 18.070 -0.547 47 HD21 LEU 5 3HD2 LEU 5 9.235 16.706 -0.413 48 HD22 LEU 5 1HD2 LEU 5 8.867 17.950 -1.610 49 HD23 LEU 5 2HD2 LEU 5 9.391 16.345 -2.134 50 H ILE 6 H ILE 6 5.398 13.041 -1.609 51 HA ILE 6 HA ILE 6 5.658 10.432 -2.604 52 HB ILE 6 HB ILE 6 7.713 10.366 -1.256 53 HG12 ILE 6 2HG1 ILE 6 5.609 8.649 0.053 54 HG13 ILE 6 1HG1 ILE 6 6.184 8.355 -1.583 55 HG21 ILE 6 1HG2 ILE 6 5.840 11.078 0.980 56 HG22 ILE 6 2HG2 ILE 6 7.329 11.884 0.492 57 HG23 ILE 6 3HG2 ILE 6 7.401 10.306 1.265 58 HD11 ILE 6 3HD1 ILE 6 7.360 6.914 -0.109 59 HD12 ILE 6 1HD1 ILE 6 7.789 8.257 0.951 60 HD13 ILE 6 2HD1 ILE 6 8.484 8.152 -0.666 61 H LEU 7 H LEU 7 4.158 8.922 -1.607 62 HA LEU 7 HA LEU 7 1.931 10.340 -0.354 63 HG LEU 7 HG LEU 7 1.413 10.203 -2.818 64 HB2 LEU 7 2HB LEU 7 2.182 7.822 -1.944 65 HB3 LEU 7 1HB LEU 7 0.809 8.022 -0.870 66 HD11 LEU 7 1HD1 LEU 7 0.372 7.483 -3.494 67 HD12 LEU 7 2HD1 LEU 7 1.517 8.494 -4.372 68 HD13 LEU 7 3HD1 LEU 7 -0.200 8.903 -4.373 69 HD21 LEU 7 3HD2 LEU 7 -0.931 9.142 -1.324 70 HD22 LEU 7 1HD2 LEU 7 -1.204 9.983 -2.842 71 HD23 LEU 7 2HD2 LEU 7 -0.375 10.802 -1.518 72 H ASN 8 H ASN 8 2.709 6.906 -0.061 73 HA ASN 8 HA ASN 8 3.713 6.930 2.545 74 HB2 ASN 8 2HB ASN 8 1.179 7.753 2.728 75 HB3 ASN 8 1HB ASN 8 0.884 6.016 2.721 76 HD21 ASN 8 1HD2 ASN 8 0.246 5.811 4.805 77 HD22 ASN 8 2HD2 ASN 8 1.278 6.092 6.156 78 H LEU 9 H LEU 9 4.470 5.508 0.417 79 HA LEU 9 HA LEU 9 3.251 2.926 0.264 80 HG LEU 9 HG LEU 9 6.286 4.894 -0.064 81 HB2 LEU 9 2HB LEU 9 5.230 2.324 -1.088 82 HB3 LEU 9 1HB LEU 9 4.422 3.777 -1.653 83 HD11 LEU 9 1HD1 LEU 9 7.153 2.159 -0.576 84 HD12 LEU 9 2HD1 LEU 9 7.735 3.333 0.604 85 HD13 LEU 9 3HD1 LEU 9 8.334 3.377 -1.054 86 HD21 LEU 9 3HD2 LEU 9 6.083 4.252 -2.933 87 HD22 LEU 9 1HD2 LEU 9 7.681 4.738 -2.366 88 HD23 LEU 9 2HD2 LEU 9 6.299 5.807 -2.128 89 H LYS 10 H LYS 10 5.880 4.337 2.082 90 HA LYS 10 HA LYS 10 7.268 2.117 2.932 91 HB2 LYS 10 2HB LYS 10 7.680 4.610 3.434 92 HB3 LYS 10 1HB LYS 10 6.601 4.375 4.803 93 HG2 LYS 10 2HG LYS 10 8.885 2.502 4.459 94 HG3 LYS 10 1HG LYS 10 9.201 4.134 5.055 95 HD2 LYS 10 2HD LYS 10 8.181 3.749 7.037 96 HD3 LYS 10 1HD LYS 10 6.950 2.707 6.321 97 HE2 LYS 10 2HE LYS 10 8.168 0.832 6.637 98 HE3 LYS 10 1HE LYS 10 9.695 1.642 6.293 99 HZ1 LYS 10 3HZ LYS 10 8.268 1.364 8.835 100 HZ2 LYS 10 1HZ LYS 10 9.180 2.767 8.586 101 HZ3 LYS 10 2HZ LYS 10 9.923 1.247 8.504 102 H GLN 11 H GLN 11 4.220 3.410 4.112 103 HA GLN 11 HA GLN 11 4.030 1.369 6.168 104 HB2 GLN 11 2HB GLN 11 3.032 3.956 5.899 105 HB3 GLN 11 1HB GLN 11 1.617 2.929 5.710 106 HG2 GLN 11 2HG GLN 11 1.499 2.815 7.906 107 HG3 GLN 11 1HG GLN 11 2.978 1.857 7.882 108 HE21 GLN 11 1HE2 GLN 11 5.020 3.173 7.789 109 HE22 GLN 11 2HE2 GLN 11 5.085 4.587 8.786 110 H ALA 12 H ALA 12 2.820 2.041 2.987 111 HA ALA 12 HA ALA 12 0.630 0.271 2.972 112 HB1 ALA 12 1HB ALA 12 0.806 0.378 0.523 113 HB2 ALA 12 2HB ALA 12 2.373 1.171 0.678 114 HB3 ALA 12 3HB ALA 12 0.916 1.978 1.257 115 H LYS 13 H LYS 13 4.062 -0.151 2.358 116 HA LYS 13 HA LYS 13 3.685 -2.928 1.630 117 HB2 LYS 13 2HB LYS 13 5.838 -2.950 0.865 118 HB3 LYS 13 1HB LYS 13 5.484 -1.239 0.716 119 HG2 LYS 13 2HG LYS 13 6.664 -1.965 3.295 120 HG3 LYS 13 1HG LYS 13 7.689 -2.307 1.904 121 HD2 LYS 13 2HD LYS 13 7.157 0.041 1.113 122 HD3 LYS 13 1HD LYS 13 6.491 0.322 2.723 123 HE2 LYS 13 2HE LYS 13 8.528 0.382 3.700 124 HE3 LYS 13 1HE LYS 13 9.176 -0.885 2.658 125 HZ1 LYS 13 3HZ LYS 13 9.783 0.614 1.057 126 HZ2 LYS 13 1HZ LYS 13 10.020 1.551 2.447 127 HZ3 LYS 13 2HZ LYS 13 8.628 1.762 1.511 128 H GLU 14 H GLU 14 4.853 -1.071 4.401 129 HA GLU 14 HA GLU 14 5.893 -3.198 5.891 130 HB2 GLU 14 2HB GLU 14 6.036 -1.729 7.642 131 HB3 GLU 14 1HB GLU 14 5.811 -0.581 6.335 132 HG2 GLU 14 2HG GLU 14 4.384 0.179 7.985 133 HG3 GLU 14 1HG GLU 14 3.316 -0.713 6.911 134 H GLU 15 H GLU 15 2.609 -1.896 5.711 135 HA GLU 15 HA GLU 15 1.449 -3.758 7.512 136 HB2 GLU 15 2HB GLU 15 0.348 -1.632 6.885 137 HB3 GLU 15 1HB GLU 15 0.173 -2.222 5.237 138 HG2 GLU 15 2HG GLU 15 -1.875 -2.794 5.955 139 HG3 GLU 15 1HG GLU 15 -1.029 -4.223 6.550 140 H ALA 16 H ALA 16 2.089 -3.659 4.079 141 HA ALA 16 HA ALA 16 0.613 -5.930 3.334 142 HB1 ALA 16 1HB ALA 16 1.862 -5.879 1.284 143 HB2 ALA 16 2HB ALA 16 3.104 -4.863 2.015 144 HB3 ALA 16 3HB ALA 16 1.482 -4.223 1.754 145 H ILE 17 H ILE 17 3.927 -5.479 4.471 146 HA ILE 17 HA ILE 17 4.921 -8.045 4.036 147 HB ILE 17 HB ILE 17 5.498 -6.102 6.282 148 HG12 ILE 17 2HG1 ILE 17 6.114 -5.433 3.953 149 HG13 ILE 17 1HG1 ILE 17 7.494 -5.572 5.035 150 HG21 ILE 17 1HG2 ILE 17 7.655 -7.550 6.431 151 HG22 ILE 17 2HG2 ILE 17 6.640 -8.805 5.719 152 HG23 ILE 17 3HG2 ILE 17 6.190 -8.075 7.260 153 HD11 ILE 17 3HD1 ILE 17 8.434 -6.819 3.464 154 HD12 ILE 17 1HD1 ILE 17 6.917 -6.970 2.576 155 HD13 ILE 17 2HD1 ILE 17 7.280 -8.082 3.897 156 H LYS 18 H LYS 18 3.114 -6.713 6.781 157 HA LYS 18 HA LYS 18 3.013 -9.079 8.308 158 HB2 LYS 18 2HB LYS 18 1.137 -6.707 8.198 159 HB3 LYS 18 1HB LYS 18 1.019 -7.994 9.392 160 HG2 LYS 18 2HG LYS 18 3.507 -6.351 9.027 161 HG3 LYS 18 1HG LYS 18 2.199 -5.882 10.114 162 HD2 LYS 18 2HD LYS 18 2.577 -8.450 10.871 163 HD3 LYS 18 1HD LYS 18 4.216 -8.011 10.382 164 HE2 LYS 18 2HE LYS 18 2.519 -6.431 12.310 165 HE3 LYS 18 1HE LYS 18 3.746 -7.603 12.788 166 HZ1 LYS 18 3HZ LYS 18 5.009 -5.749 12.828 167 HZ2 LYS 18 1HZ LYS 18 4.063 -4.921 11.697 168 HZ3 LYS 18 2HZ LYS 18 5.181 -6.080 11.181 169 H GLU 19 H GLU 19 1.115 -7.857 5.644 170 HA GLU 19 HA GLU 19 -1.088 -9.600 5.799 171 HB2 GLU 19 2HB GLU 19 -0.054 -7.637 3.974 172 HB3 GLU 19 1HB GLU 19 -0.530 -9.063 3.065 173 HG2 GLU 19 2HG GLU 19 -2.337 -7.453 3.183 174 HG3 GLU 19 1HG GLU 19 -2.762 -8.942 4.030 175 H LEU 20 H LEU 20 1.892 -9.829 3.863 176 HA LEU 20 HA LEU 20 1.247 -12.481 2.985 177 HG LEU 20 HG LEU 20 2.492 -13.363 1.365 178 HB2 LEU 20 2HB LEU 20 2.830 -10.553 1.968 179 HB3 LEU 20 1HB LEU 20 4.043 -11.510 2.794 180 HD11 LEU 20 1HD1 LEU 20 3.004 -12.316 -0.976 181 HD12 LEU 20 2HD1 LEU 20 2.838 -10.794 -0.100 182 HD13 LEU 20 3HD1 LEU 20 1.501 -11.944 -0.133 183 HD21 LEU 20 3HD2 LEU 20 4.761 -12.995 -0.131 184 HD22 LEU 20 1HD2 LEU 20 4.629 -14.012 1.304 185 HD23 LEU 20 2HD2 LEU 20 5.231 -12.361 1.445 186 H VAL 21 H VAL 21 3.237 -11.070 5.515 187 HA VAL 21 HA VAL 21 4.674 -13.394 6.214 188 HB VAL 21 HB VAL 21 3.903 -10.976 7.852 189 HG11 VAL 21 1HG1 VAL 21 5.918 -11.929 9.277 190 HG12 VAL 21 2HG1 VAL 21 5.318 -13.466 8.651 191 HG13 VAL 21 3HG1 VAL 21 4.252 -12.419 9.588 192 HG21 VAL 21 3HG2 VAL 21 6.703 -11.626 7.143 193 HG22 VAL 21 1HG2 VAL 21 5.894 -10.064 7.254 194 HG23 VAL 21 2HG2 VAL 21 5.649 -11.085 5.837 195 H ASP 22 H ASP 22 1.459 -12.276 6.962 196 HA ASP 22 HA ASP 22 1.081 -14.395 8.913 197 HB2 ASP 22 2HB ASP 22 0.057 -11.892 8.816 198 HB3 ASP 22 1HB ASP 22 -1.248 -12.784 8.039 199 H ALA 23 H ALA 23 0.138 -13.544 5.629 200 HA ALA 23 HA ALA 23 -1.690 -15.758 5.381 201 HB1 ALA 23 1HB ALA 23 -2.260 -14.894 3.364 202 HB2 ALA 23 2HB ALA 23 -0.605 -14.438 2.961 203 HB3 ALA 23 3HB ALA 23 -1.547 -13.449 4.077 204 H GLY 24 H GLY 24 1.685 -15.398 5.183 205 HA2 GLY 24 2HA GLY 24 3.391 -16.721 4.388 206 HA3 GLY 24 1HA GLY 24 2.356 -18.014 4.972 207 H ILE 25 H ILE 25 3.819 -16.609 2.235 208 HA ILE 25 HA ILE 25 3.211 -18.759 0.558 209 HB ILE 25 HB ILE 25 1.948 -17.295 -1.214 210 HG12 ILE 25 2HG1 ILE 25 0.143 -15.959 0.078 211 HG13 ILE 25 1HG1 ILE 25 1.330 -15.900 1.374 212 HG21 ILE 25 1HG2 ILE 25 0.201 -18.641 -0.850 213 HG22 ILE 25 2HG2 ILE 25 0.036 -18.147 0.835 214 HG23 ILE 25 3HG2 ILE 25 1.242 -19.353 0.383 215 HD11 ILE 25 3HD1 ILE 25 1.296 -13.924 -0.150 216 HD12 ILE 25 1HD1 ILE 25 1.893 -14.982 -1.428 217 HD13 ILE 25 2HD1 ILE 25 2.866 -14.710 0.016 218 H ALA 26 H ALA 26 3.502 -17.740 -1.955 219 HA ALA 26 HA ALA 26 6.107 -17.433 -2.421 220 HB1 ALA 26 1HB ALA 26 3.756 -16.275 -3.842 221 HB2 ALA 26 2HB ALA 26 4.873 -17.541 -4.354 222 HB3 ALA 26 3HB ALA 26 5.384 -15.849 -4.381 223 H GLU 27 H GLU 27 7.318 -16.289 -0.964 224 HA GLU 27 HA GLU 27 6.825 -13.740 0.011 225 HB2 GLU 27 2HB GLU 27 9.279 -13.619 0.431 226 HB3 GLU 27 1HB GLU 27 8.545 -15.114 0.995 227 HG2 GLU 27 2HG GLU 27 9.286 -15.955 -1.399 228 HG3 GLU 27 1HG GLU 27 10.462 -14.653 -1.217 229 H LYS 28 H LYS 28 7.951 -14.751 -3.081 230 HA LYS 28 HA LYS 28 9.357 -12.671 -4.119 231 HB2 LYS 28 2HB LYS 28 9.011 -14.418 -5.605 232 HB3 LYS 28 1HB LYS 28 7.292 -14.510 -5.266 233 HG2 LYS 28 2HG LYS 28 6.972 -13.500 -7.201 234 HG3 LYS 28 1HG LYS 28 7.599 -12.030 -6.459 235 HD2 LYS 28 2HD LYS 28 9.855 -12.606 -7.189 236 HD3 LYS 28 1HD LYS 28 9.249 -14.103 -7.902 237 HE2 LYS 28 2HE LYS 28 9.174 -12.849 -9.778 238 HE3 LYS 28 1HE LYS 28 7.628 -12.330 -9.108 239 HZ1 LYS 28 3HZ LYS 28 8.418 -10.289 -8.637 240 HZ2 LYS 28 1HZ LYS 28 9.530 -10.644 -9.862 241 HZ3 LYS 28 2HZ LYS 28 9.969 -10.838 -8.240 242 H TYR 29 H TYR 29 5.811 -12.813 -3.823 243 HA TYR 29 HA TYR 29 5.343 -10.288 -4.964 244 HD1 TYR 29 2HD TYR 29 3.780 -13.322 -5.686 245 HD2 TYR 29 1HD TYR 29 2.206 -9.413 -5.097 246 HE1 TYR 29 2HE TYR 29 2.635 -13.461 -7.858 247 HE2 TYR 29 1HE TYR 29 1.055 -9.543 -7.265 248 HH TYR 29 HH TYR 29 1.177 -10.733 -9.347 249 HB2 TYR 29 2HB TYR 29 3.773 -12.258 -3.458 250 HB3 TYR 29 1HB TYR 29 3.227 -10.589 -3.275 251 H ILE 30 H ILE 30 6.184 -11.325 -1.748 252 HA ILE 30 HA ILE 30 5.600 -8.972 -0.334 253 HB ILE 30 HB ILE 30 6.604 -11.415 0.364 254 HG12 ILE 30 2HG1 ILE 30 6.715 -8.874 1.998 255 HG13 ILE 30 1HG1 ILE 30 5.300 -9.899 1.780 256 HG21 ILE 30 1HG2 ILE 30 8.892 -10.480 -0.404 257 HG22 ILE 30 2HG2 ILE 30 8.788 -11.343 1.130 258 HG23 ILE 30 3HG2 ILE 30 8.846 -9.581 1.112 259 HD11 ILE 30 3HD1 ILE 30 6.735 -11.756 2.803 260 HD12 ILE 30 1HD1 ILE 30 6.121 -10.492 3.869 261 HD13 ILE 30 2HD1 ILE 30 7.799 -10.451 3.327 262 H LYS 31 H LYS 31 8.120 -9.808 -2.556 263 HA LYS 31 HA LYS 31 9.894 -7.681 -1.818 264 HB2 LYS 31 2HB LYS 31 10.803 -9.680 -2.856 265 HB3 LYS 31 1HB LYS 31 9.808 -9.433 -4.282 266 HG2 LYS 31 2HG LYS 31 11.636 -8.469 -5.127 267 HG3 LYS 31 1HG LYS 31 11.151 -7.072 -4.162 268 HD2 LYS 31 2HD LYS 31 13.219 -7.238 -3.293 269 HD3 LYS 31 1HD LYS 31 12.520 -8.540 -2.328 270 HE2 LYS 31 2HE LYS 31 14.549 -9.351 -3.289 271 HE3 LYS 31 1HE LYS 31 13.205 -10.137 -4.119 272 HZ1 LYS 31 3HZ LYS 31 13.552 -8.061 -5.708 273 HZ2 LYS 31 1HZ LYS 31 14.408 -9.508 -5.911 274 HZ3 LYS 31 2HZ LYS 31 15.135 -8.198 -5.127 275 H LEU 32 H LEU 32 7.342 -8.144 -4.238 276 HA LEU 32 HA LEU 32 7.860 -5.840 -5.755 277 HG LEU 32 HG LEU 32 5.730 -8.677 -5.097 278 HB2 LEU 32 2HB LEU 32 5.001 -6.393 -5.378 279 HB3 LEU 32 1HB LEU 32 5.939 -6.254 -6.859 280 HD11 LEU 32 1HD1 LEU 32 4.807 -8.362 -7.934 281 HD12 LEU 32 2HD1 LEU 32 3.759 -8.066 -6.547 282 HD13 LEU 32 3HD1 LEU 32 4.447 -9.669 -6.805 283 HD21 LEU 32 3HD2 LEU 32 7.020 -8.713 -7.776 284 HD22 LEU 32 1HD2 LEU 32 7.283 -9.764 -6.385 285 HD23 LEU 32 2HD2 LEU 32 7.948 -8.132 -6.394 286 H ILE 33 H ILE 33 6.227 -6.316 -2.720 287 HA ILE 33 HA ILE 33 5.423 -3.518 -2.578 288 HB ILE 33 HB ILE 33 4.660 -4.294 -0.212 289 HG12 ILE 33 2HG1 ILE 33 4.787 -6.945 -1.662 290 HG13 ILE 33 1HG1 ILE 33 5.844 -6.468 -0.336 291 HG21 ILE 33 1HG2 ILE 33 2.717 -3.982 -1.208 292 HG22 ILE 33 2HG2 ILE 33 2.786 -5.618 -1.861 293 HG23 ILE 33 3HG2 ILE 33 3.451 -4.270 -2.784 294 HD11 ILE 33 3HD1 ILE 33 4.014 -6.375 1.173 295 HD12 ILE 33 1HD1 ILE 33 3.982 -7.929 0.339 296 HD13 ILE 33 2HD1 ILE 33 2.865 -6.651 -0.141 297 H ALA 34 H ALA 34 7.506 -5.809 -0.848 298 HA ALA 34 HA ALA 34 8.463 -4.070 1.104 299 HB1 ALA 34 1HB ALA 34 10.325 -5.613 1.362 300 HB2 ALA 34 2HB ALA 34 9.946 -6.356 -0.191 301 HB3 ALA 34 3HB ALA 34 8.816 -6.499 1.154 302 H ASN 35 H ASN 35 9.281 -4.411 -2.260 303 HA ASN 35 HA ASN 35 11.648 -2.749 -2.031 304 HB2 ASN 35 2HB ASN 35 11.805 -4.567 -3.582 305 HB3 ASN 35 1HB ASN 35 10.305 -4.093 -4.382 306 HD21 ASN 35 1HD2 ASN 35 13.333 -2.481 -3.447 307 HD22 ASN 35 2HD2 ASN 35 13.625 -1.762 -4.990 308 H ALA 36 H ALA 36 8.301 -2.323 -2.510 309 HA ALA 36 HA ALA 36 7.007 -0.508 -2.977 310 HB1 ALA 36 1HB ALA 36 9.509 1.117 -2.539 311 HB2 ALA 36 2HB ALA 36 8.521 0.462 -1.233 312 HB3 ALA 36 3HB ALA 36 7.835 1.640 -2.352 313 H LYS 37 H LYS 37 8.451 1.990 -4.193 314 HA LYS 37 HA LYS 37 9.261 2.695 -6.251 315 HB2 LYS 37 2HB LYS 37 9.873 0.150 -6.618 316 HB3 LYS 37 1HB LYS 37 8.437 0.181 -7.643 317 HG2 LYS 37 2HG LYS 37 10.288 0.589 -9.050 318 HG3 LYS 37 1HG LYS 37 9.468 2.137 -8.842 319 HD2 LYS 37 2HD LYS 37 11.513 2.922 -8.352 320 HD3 LYS 37 1HD LYS 37 11.250 2.171 -6.777 321 HE2 LYS 37 2HE LYS 37 12.272 0.075 -7.748 322 HE3 LYS 37 1HE LYS 37 12.745 1.052 -9.136 323 HZ1 LYS 37 3HZ LYS 37 14.271 2.213 -7.921 324 HZ2 LYS 37 1HZ LYS 37 14.361 0.714 -7.137 325 HZ3 LYS 37 2HZ LYS 37 13.471 1.978 -6.449 326 H THR 38 H THR 38 6.267 1.066 -5.670 327 HA THR 38 HA THR 38 4.891 3.093 -7.255 328 HB THR 38 HB THR 38 4.135 0.175 -7.442 329 HG1 THR 38 1HG THR 38 5.548 -0.035 -8.958 330 HG21 THR 38 3HG2 THR 38 3.409 2.006 -9.597 331 HG22 THR 38 1HG2 THR 38 2.628 2.349 -8.053 332 HG23 THR 38 2HG2 THR 38 2.459 0.757 -8.792 333 H VAL 39 H VAL 39 4.465 3.944 -5.140 334 HA VAL 39 HA VAL 39 3.385 2.769 -2.943 335 HB VAL 39 HB VAL 39 3.861 5.177 -3.093 336 HG11 VAL 39 1HG1 VAL 39 2.514 6.716 -4.205 337 HG12 VAL 39 2HG1 VAL 39 1.189 5.570 -4.395 338 HG13 VAL 39 3HG1 VAL 39 2.661 5.377 -5.345 339 HG21 VAL 39 3HG2 VAL 39 1.229 5.608 -2.157 340 HG22 VAL 39 1HG2 VAL 39 2.684 5.286 -1.214 341 HG23 VAL 39 2HG2 VAL 39 1.665 3.949 -1.746 342 H GLU 40 H GLU 40 1.511 3.805 -5.792 343 HA GLU 40 HA GLU 40 -1.005 3.033 -4.810 344 HB2 GLU 40 2HB GLU 40 0.131 3.728 -7.443 345 HB3 GLU 40 1HB GLU 40 -1.270 2.663 -7.505 346 HG2 GLU 40 2HG GLU 40 -2.670 4.301 -6.990 347 HG3 GLU 40 1HG GLU 40 -1.647 4.882 -5.677 348 H GLY 41 H GLY 41 1.456 1.266 -6.638 349 HA2 GLY 41 2HA GLY 41 -0.073 -1.128 -6.876 350 HA3 GLY 41 1HA GLY 41 1.661 -0.980 -7.103 351 H VAL 42 H VAL 42 2.528 -0.135 -4.636 352 HA VAL 42 HA VAL 42 2.901 -2.397 -3.162 353 HB VAL 42 HB VAL 42 2.540 0.310 -1.871 354 HG11 VAL 42 1HG1 VAL 42 3.082 -2.087 -0.721 355 HG12 VAL 42 2HG1 VAL 42 3.599 -0.530 -0.075 356 HG13 VAL 42 3HG1 VAL 42 4.709 -1.491 -1.054 357 HG21 VAL 42 3HG2 VAL 42 5.183 0.187 -2.333 358 HG22 VAL 42 1HG2 VAL 42 4.045 0.979 -3.422 359 HG23 VAL 42 2HG2 VAL 42 4.590 -0.662 -3.761 360 H TRP 43 H TRP 43 0.218 -0.109 -2.884 361 HA TRP 43 HA TRP 43 -1.031 -1.538 -0.729 362 HD1 TRP 43 HD TRP 43 -4.423 -1.278 -1.344 363 HE1 TRP 43 1HE TRP 43 -5.786 -0.781 0.781 364 HE3 TRP 43 3HE TRP 43 -1.332 2.174 0.817 365 HZ2 TRP 43 2HZ TRP 43 -5.580 0.858 3.070 366 HZ3 TRP 43 3HZ TRP 43 -1.988 3.158 2.975 367 HH2 TRP 43 HH TRP 43 -4.069 2.514 4.076 368 HB2 TRP 43 2HB TRP 43 -1.246 0.971 -1.262 369 HB3 TRP 43 1HB TRP 43 -2.401 0.481 -2.497 370 H THR 44 H THR 44 -1.292 -1.487 -4.238 371 HA THR 44 HA THR 44 -3.712 -3.072 -4.250 372 HB THR 44 HB THR 44 -1.915 -2.733 -6.634 373 HG1 THR 44 1HG THR 44 -3.605 -0.782 -5.474 374 HG21 THR 44 3HG2 THR 44 -4.876 -2.980 -6.237 375 HG22 THR 44 1HG2 THR 44 -3.795 -4.018 -7.168 376 HG23 THR 44 2HG2 THR 44 -4.166 -2.392 -7.741 377 H LEU 45 H LEU 45 -0.331 -3.651 -5.170 378 HA LEU 45 HA LEU 45 -0.512 -6.335 -5.832 379 HB2 LEU 45 2HB LEU 45 1.570 -4.443 -5.260 380 HB3 LEU 45 1HB LEU 45 1.950 -5.966 -4.481 381 HD11 LEU 45 1HD1 LEU 45 0.124 -6.479 -7.693 382 HD12 LEU 45 2HD1 LEU 45 1.456 -5.908 -8.697 383 HD13 LEU 45 3HD1 LEU 45 0.576 -4.774 -7.672 384 HD21 LEU 45 3HD2 LEU 45 3.938 -6.237 -7.309 385 HD22 LEU 45 1HD2 LEU 45 3.716 -5.046 -6.026 386 HD23 LEU 45 2HD2 LEU 45 3.182 -4.685 -7.668 387 H LYS 46 H LYS 46 -0.326 -4.764 -2.723 388 HA LYS 46 HA LYS 46 0.130 -7.101 -1.173 389 HB2 LYS 46 2HB LYS 46 0.680 -5.150 -0.042 390 HB3 LYS 46 1HB LYS 46 -0.718 -4.279 -0.643 391 HG2 LYS 46 2HG LYS 46 -1.783 -6.292 0.961 392 HG3 LYS 46 1HG LYS 46 -0.364 -5.715 1.829 393 HD2 LYS 46 2HD LYS 46 -1.526 -3.384 0.970 394 HD3 LYS 46 1HD LYS 46 -2.922 -4.401 1.330 395 HE2 LYS 46 2HE LYS 46 -1.462 -4.907 3.507 396 HE3 LYS 46 1HE LYS 46 -0.854 -3.293 3.138 397 HZ1 LYS 46 3HZ LYS 46 -3.744 -3.635 3.076 398 HZ2 LYS 46 1HZ LYS 46 -2.817 -2.338 3.646 399 HZ3 LYS 46 2HZ LYS 46 -3.015 -3.720 4.600 400 H ASP 47 H ASP 47 -2.800 -5.102 -1.556 401 HA ASP 47 HA ASP 47 -4.564 -6.885 -0.324 402 HB2 ASP 47 2HB ASP 47 -4.767 -4.469 -1.932 403 HB3 ASP 47 1HB ASP 47 -6.079 -5.591 -2.281 404 H GLU 48 H GLU 48 -3.265 -6.789 -3.554 405 HA GLU 48 HA GLU 48 -5.099 -8.703 -4.646 406 HB2 GLU 48 2HB GLU 48 -3.622 -6.877 -5.840 407 HB3 GLU 48 1HB GLU 48 -2.423 -8.164 -5.867 408 HG2 GLU 48 2HG GLU 48 -5.122 -8.889 -6.803 409 HG3 GLU 48 1HG GLU 48 -4.223 -7.756 -7.811 410 H ILE 49 H ILE 49 -1.630 -8.830 -3.742 411 HA ILE 49 HA ILE 49 -1.296 -11.542 -4.278 412 HB ILE 49 HB ILE 49 0.650 -10.160 -3.873 413 HG12 ILE 49 2HG1 ILE 49 1.917 -11.737 -2.534 414 HG13 ILE 49 1HG1 ILE 49 0.449 -12.313 -1.762 415 HG21 ILE 49 1HG2 ILE 49 1.211 -9.111 -1.922 416 HG22 ILE 49 2HG2 ILE 49 0.197 -10.168 -0.933 417 HG23 ILE 49 3HG2 ILE 49 -0.543 -8.918 -1.929 418 HD11 ILE 49 3HD1 ILE 49 -0.328 -13.235 -3.864 419 HD12 ILE 49 1HD1 ILE 49 1.264 -13.872 -3.451 420 HD13 ILE 49 2HD1 ILE 49 1.107 -12.618 -4.680 421 H LEU 50 H LEU 50 -2.926 -10.003 -1.649 422 HA LEU 50 HA LEU 50 -2.847 -12.348 0.037 423 HG LEU 50 HG LEU 50 -4.123 -12.174 2.106 424 HB2 LEU 50 2HB LEU 50 -3.244 -9.745 0.604 425 HB3 LEU 50 1HB LEU 50 -4.918 -10.266 0.471 426 HD11 LEU 50 1HD1 LEU 50 -1.881 -11.864 2.409 427 HD12 LEU 50 2HD1 LEU 50 -2.509 -10.895 3.743 428 HD13 LEU 50 3HD1 LEU 50 -1.992 -10.112 2.250 429 HD21 LEU 50 3HD2 LEU 50 -4.474 -10.303 3.984 430 HD22 LEU 50 1HD2 LEU 50 -5.796 -10.935 3.001 431 HD23 LEU 50 2HD2 LEU 50 -5.037 -9.400 2.577 432 H THR 51 H THR 51 -4.984 -10.857 -2.301 433 HA THR 51 HA THR 51 -7.295 -12.365 -1.876 434 HB THR 51 HB THR 51 -6.159 -11.178 -4.409 435 HG1 THR 51 1HG THR 51 -7.545 -9.512 -3.961 436 HG21 THR 51 3HG2 THR 51 -8.517 -11.230 -5.237 437 HG22 THR 51 1HG2 THR 51 -8.869 -12.363 -3.936 438 HG23 THR 51 2HG2 THR 51 -7.705 -12.795 -5.180 439 H PHE 52 H PHE 52 -4.268 -13.222 -3.389 440 HA PHE 52 HA PHE 52 -5.359 -15.653 -4.541 441 HD1 PHE 52 2HD PHE 52 -2.164 -14.691 -2.590 442 HD2 PHE 52 1HD PHE 52 -1.544 -16.529 -6.373 443 HE1 PHE 52 2HE PHE 52 0.039 -15.476 -1.832 444 HE2 PHE 52 1HE PHE 52 0.659 -17.330 -5.624 445 HZ PHE 52 HZ PHE 52 1.454 -16.805 -3.352 446 HB2 PHE 52 2HB PHE 52 -3.585 -15.565 -5.919 447 HB3 PHE 52 1HB PHE 52 -3.243 -13.991 -5.219 448 H THR 53 H THR 53 -4.988 -14.963 -1.526 449 HA THR 53 HA THR 53 -4.189 -17.648 -0.796 450 HB THR 53 HB THR 53 -2.094 -16.311 -0.776 451 HG1 THR 53 1HG THR 53 -1.500 -16.986 1.336 452 HG21 THR 53 3HG2 THR 53 -2.404 -14.191 -0.093 453 HG22 THR 53 1HG2 THR 53 -1.953 -14.915 1.445 454 HG23 THR 53 2HG2 THR 53 -3.649 -14.620 1.076 455 H VAL 54 H VAL 54 -6.690 -16.962 -0.666 456 HA VAL 54 HA VAL 54 -7.159 -16.434 2.189 457 HB VAL 54 HB VAL 54 -8.972 -15.516 -0.050 458 HG11 VAL 54 1HG1 VAL 54 -9.652 -16.086 2.529 459 HG12 VAL 54 2HG1 VAL 54 -10.490 -14.931 1.495 460 HG13 VAL 54 3HG1 VAL 54 -9.263 -14.368 2.629 461 HG21 VAL 54 3HG2 VAL 54 -8.233 -13.228 0.999 462 HG22 VAL 54 1HG2 VAL 54 -7.256 -14.017 -0.239 463 HG23 VAL 54 2HG2 VAL 54 -6.804 -14.153 1.460 464 H THR 55 H THR 55 -9.410 -17.277 -0.434 465 HA THR 55 HA THR 55 -10.581 -19.350 1.160 466 HB THR 55 HB THR 55 -11.033 -18.703 -1.759 467 HG1 THR 55 1HG THR 55 -12.822 -17.512 -0.931 468 HG21 THR 55 3HG2 THR 55 -12.274 -20.562 -1.681 469 HG22 THR 55 1HG2 THR 55 -13.416 -19.561 -0.788 470 HG23 THR 55 2HG2 THR 55 -12.287 -20.605 0.080 471 H GLU 56 H GLU 56 -9.679 -21.275 1.424 472 HA GLU 56 HA GLU 56 -8.331 -22.518 -0.883 473 HB2 GLU 56 2HB GLU 56 -7.506 -22.406 2.001 474 HB3 GLU 56 1HB GLU 56 -6.992 -23.742 0.983 475 HG2 GLU 56 2HG GLU 56 -5.487 -22.497 -0.101 476 HG3 GLU 56 1HG GLU 56 -6.561 -21.103 -0.197 Start of MODEL 8 1 HA THR 1 HA THR 1 4.058 23.307 -3.938 2 HB THR 1 HB THR 1 5.293 23.305 -6.159 3 HG1 THR 1 1HG THR 1 6.949 24.555 -6.384 4 H1 THR 1 1HT THR 1 4.684 25.585 -3.453 5 H2 THR 1 2HT THR 1 6.300 25.069 -3.200 6 H3 THR 1 3HT THR 1 5.045 24.489 -2.179 7 HG21 THR 1 1HG2 THR 1 3.413 25.191 -5.163 8 HG22 THR 1 2HG2 THR 1 3.612 24.578 -6.798 9 HG23 THR 1 3HG2 THR 1 4.512 25.997 -6.281 10 H THR 2 H THR 2 5.137 21.376 -5.142 11 HA THR 2 HA THR 2 7.746 20.579 -4.346 12 HB THR 2 HB THR 2 6.658 18.537 -3.028 13 HG1 THR 2 1HG THR 2 4.558 19.141 -3.030 14 HG21 THR 2 3HG2 THR 2 7.606 19.354 -1.165 15 HG22 THR 2 1HG2 THR 2 6.789 20.914 -1.302 16 HG23 THR 2 2HG2 THR 2 8.223 20.584 -2.277 17 H TYR 3 H TYR 3 4.529 19.222 -5.045 18 HA TYR 3 HA TYR 3 3.878 17.507 -6.412 19 HD1 TYR 3 2HD TYR 3 6.775 17.250 -9.431 20 HD2 TYR 3 1HD TYR 3 5.909 21.004 -7.616 21 HE1 TYR 3 2HE TYR 3 8.961 18.111 -10.168 22 HE2 TYR 3 1HE TYR 3 8.093 21.869 -8.346 23 HH TYR 3 HH TYR 3 9.854 20.704 -10.649 24 HB2 TYR 3 2HB TYR 3 4.510 17.816 -8.751 25 HB3 TYR 3 1HB TYR 3 4.151 19.371 -7.999 26 H LYS 4 H LYS 4 6.167 16.900 -4.691 27 HA LYS 4 HA LYS 4 6.946 14.438 -5.960 28 HB2 LYS 4 2HB LYS 4 8.598 16.543 -6.496 29 HB3 LYS 4 1HB LYS 4 9.338 15.895 -5.037 30 HG2 LYS 4 2HG LYS 4 8.636 13.878 -7.044 31 HG3 LYS 4 1HG LYS 4 9.859 15.043 -7.560 32 HD2 LYS 4 2HD LYS 4 11.264 13.591 -6.535 33 HD3 LYS 4 1HD LYS 4 10.767 14.476 -5.090 34 HE2 LYS 4 2HE LYS 4 8.802 12.654 -5.195 35 HE3 LYS 4 1HE LYS 4 10.084 11.739 -5.985 36 HZ1 LYS 4 3HZ LYS 4 10.444 11.212 -3.805 37 HZ2 LYS 4 1HZ LYS 4 9.930 12.717 -3.224 38 HZ3 LYS 4 2HZ LYS 4 11.454 12.563 -3.942 39 H LEU 5 H LEU 5 5.696 13.792 -4.082 40 HA LEU 5 HA LEU 5 7.423 13.451 -1.755 41 HG LEU 5 HG LEU 5 6.612 16.181 -2.005 42 HB2 LEU 5 2HB LEU 5 4.620 14.565 -1.599 43 HB3 LEU 5 1HB LEU 5 5.553 14.011 -0.218 44 HD11 LEU 5 1HD1 LEU 5 4.193 16.536 -0.997 45 HD12 LEU 5 2HD1 LEU 5 5.394 17.828 -1.016 46 HD13 LEU 5 3HD1 LEU 5 5.120 16.899 0.454 47 HD21 LEU 5 3HD2 LEU 5 6.991 15.572 0.923 48 HD22 LEU 5 1HD2 LEU 5 7.829 16.814 -0.017 49 HD23 LEU 5 2HD2 LEU 5 8.102 15.104 -0.360 50 H ILE 6 H ILE 6 5.965 12.072 -0.067 51 HA ILE 6 HA ILE 6 4.906 9.821 -1.647 52 HB ILE 6 HB ILE 6 5.531 8.394 0.302 53 HG12 ILE 6 2HG1 ILE 6 7.474 10.359 1.306 54 HG13 ILE 6 1HG1 ILE 6 5.793 10.753 1.652 55 HG21 ILE 6 1HG2 ILE 6 7.569 7.973 -0.586 56 HG22 ILE 6 2HG2 ILE 6 8.071 9.662 -0.515 57 HG23 ILE 6 3HG2 ILE 6 7.008 9.108 -1.808 58 HD11 ILE 6 3HD1 ILE 6 7.490 8.578 2.676 59 HD12 ILE 6 1HD1 ILE 6 5.796 8.196 2.393 60 HD13 ILE 6 2HD1 ILE 6 6.226 9.514 3.479 61 H LEU 7 H LEU 7 3.052 8.759 -0.942 62 HA LEU 7 HA LEU 7 1.311 10.378 0.743 63 HG LEU 7 HG LEU 7 -1.002 9.647 -1.975 64 HB2 LEU 7 2HB LEU 7 0.946 8.354 -1.367 65 HB3 LEU 7 1HB LEU 7 -0.232 8.287 -0.066 66 HD11 LEU 7 1HD1 LEU 7 -1.210 11.853 -0.487 67 HD12 LEU 7 2HD1 LEU 7 -0.671 10.727 0.756 68 HD13 LEU 7 3HD1 LEU 7 -2.137 10.389 -0.164 69 HD21 LEU 7 3HD2 LEU 7 0.226 12.013 -1.921 70 HD22 LEU 7 1HD2 LEU 7 0.707 10.709 -3.006 71 HD23 LEU 7 2HD2 LEU 7 1.593 10.980 -1.503 72 H ASN 8 H ASN 8 2.086 6.908 0.450 73 HA ASN 8 HA ASN 8 2.650 6.523 3.167 74 HB2 ASN 8 2HB ASN 8 -0.046 6.914 2.843 75 HB3 ASN 8 1HB ASN 8 0.076 5.159 2.764 76 HD21 ASN 8 1HD2 ASN 8 -1.296 6.308 4.791 77 HD22 ASN 8 2HD2 ASN 8 -0.435 6.123 6.270 78 H LEU 9 H LEU 9 3.899 5.697 0.930 79 HA LEU 9 HA LEU 9 3.157 3.034 0.180 80 HG LEU 9 HG LEU 9 5.134 1.985 -1.247 81 HB2 LEU 9 2HB LEU 9 4.182 4.405 -1.452 82 HB3 LEU 9 1HB LEU 9 5.503 4.826 -0.374 83 HD11 LEU 9 1HD1 LEU 9 5.625 2.415 -3.365 84 HD12 LEU 9 2HD1 LEU 9 7.038 3.354 -2.884 85 HD13 LEU 9 3HD1 LEU 9 5.462 4.137 -3.021 86 HD21 LEU 9 3HD2 LEU 9 6.951 3.343 0.384 87 HD22 LEU 9 1HD2 LEU 9 7.816 3.032 -1.119 88 HD23 LEU 9 2HD2 LEU 9 7.089 1.696 -0.228 89 H LYS 10 H LYS 10 5.669 4.515 2.190 90 HA LYS 10 HA LYS 10 7.168 2.266 2.806 91 HB2 LYS 10 2HB LYS 10 6.877 4.947 3.822 92 HB3 LYS 10 1HB LYS 10 7.058 3.820 5.159 93 HG2 LYS 10 2HG LYS 10 9.233 4.442 4.669 94 HG3 LYS 10 1HG LYS 10 9.062 2.898 3.846 95 HD2 LYS 10 2HD LYS 10 10.092 4.251 2.254 96 HD3 LYS 10 1HD LYS 10 8.388 4.316 1.802 97 HE2 LYS 10 2HE LYS 10 8.133 6.458 2.862 98 HE3 LYS 10 1HE LYS 10 9.767 6.370 3.508 99 HZ1 LYS 10 3HZ LYS 10 9.418 6.192 0.612 100 HZ2 LYS 10 1HZ LYS 10 10.697 6.850 1.505 101 HZ3 LYS 10 2HZ LYS 10 9.247 7.708 1.343 102 H GLN 11 H GLN 11 4.146 3.417 4.166 103 HA GLN 11 HA GLN 11 4.087 1.308 6.155 104 HB2 GLN 11 2HB GLN 11 2.559 3.767 5.597 105 HB3 GLN 11 1HB GLN 11 1.607 2.436 6.244 106 HG2 GLN 11 2HG GLN 11 4.061 2.752 7.709 107 HG3 GLN 11 1HG GLN 11 3.150 4.264 7.666 108 HE21 GLN 11 1HE2 GLN 11 2.804 0.809 8.335 109 HE22 GLN 11 2HE2 GLN 11 1.604 0.987 9.566 110 H ALA 12 H ALA 12 2.698 2.077 3.049 111 HA ALA 12 HA ALA 12 0.618 0.204 2.988 112 HB1 ALA 12 1HB ALA 12 2.305 1.261 0.722 113 HB2 ALA 12 2HB ALA 12 0.798 1.953 1.321 114 HB3 ALA 12 3HB ALA 12 0.792 0.375 0.532 115 H LYS 13 H LYS 13 4.054 -0.088 2.320 116 HA LYS 13 HA LYS 13 3.762 -2.850 1.505 117 HB2 LYS 13 2HB LYS 13 5.896 -2.759 0.711 118 HB3 LYS 13 1HB LYS 13 5.500 -1.051 0.659 119 HG2 LYS 13 2HG LYS 13 6.709 -1.851 3.191 120 HG3 LYS 13 1HG LYS 13 7.732 -2.158 1.790 121 HD2 LYS 13 2HD LYS 13 7.283 0.182 1.047 122 HD3 LYS 13 1HD LYS 13 6.472 0.454 2.588 123 HE2 LYS 13 2HE LYS 13 8.407 0.605 3.719 124 HE3 LYS 13 1HE LYS 13 9.136 -0.735 2.835 125 HZ1 LYS 13 3HZ LYS 13 9.698 0.708 1.051 126 HZ2 LYS 13 1HZ LYS 13 10.224 1.452 2.477 127 HZ3 LYS 13 2HZ LYS 13 8.817 1.992 1.712 128 H GLU 14 H GLU 14 4.849 -1.033 4.313 129 HA GLU 14 HA GLU 14 5.993 -3.142 5.766 130 HB2 GLU 14 2HB GLU 14 4.687 -0.551 6.529 131 HB3 GLU 14 1HB GLU 14 5.102 -1.711 7.783 132 HG2 GLU 14 2HG GLU 14 7.289 -1.231 5.929 133 HG3 GLU 14 1HG GLU 14 6.749 0.231 6.750 134 H GLU 15 H GLU 15 2.673 -1.882 5.743 135 HA GLU 15 HA GLU 15 1.587 -3.834 7.476 136 HB2 GLU 15 2HB GLU 15 0.439 -1.705 6.901 137 HB3 GLU 15 1HB GLU 15 0.208 -2.300 5.260 138 HG2 GLU 15 2HG GLU 15 -1.191 -4.095 6.070 139 HG3 GLU 15 1HG GLU 15 -0.910 -3.594 7.737 140 H ALA 16 H ALA 16 2.203 -3.653 4.047 141 HA ALA 16 HA ALA 16 0.747 -5.913 3.235 142 HB1 ALA 16 1HB ALA 16 3.264 -4.854 1.966 143 HB2 ALA 16 2HB ALA 16 1.666 -4.152 1.721 144 HB3 ALA 16 3HB ALA 16 1.992 -5.803 1.201 145 H ILE 17 H ILE 17 3.994 -5.480 4.529 146 HA ILE 17 HA ILE 17 5.023 -8.034 4.017 147 HB ILE 17 HB ILE 17 5.567 -6.202 6.365 148 HG12 ILE 17 2HG1 ILE 17 6.249 -5.118 4.362 149 HG13 ILE 17 1HG1 ILE 17 7.711 -5.794 5.067 150 HG21 ILE 17 1HG2 ILE 17 7.730 -7.552 6.477 151 HG22 ILE 17 2HG2 ILE 17 6.884 -8.760 5.511 152 HG23 ILE 17 3HG2 ILE 17 6.267 -8.314 7.101 153 HD11 ILE 17 3HD1 ILE 17 7.556 -7.686 3.507 154 HD12 ILE 17 1HD1 ILE 17 7.703 -6.133 2.685 155 HD13 ILE 17 2HD1 ILE 17 6.136 -6.939 2.774 156 H LYS 18 H LYS 18 3.236 -6.771 6.818 157 HA LYS 18 HA LYS 18 3.117 -9.188 8.255 158 HB2 LYS 18 2HB LYS 18 1.376 -6.727 8.248 159 HB3 LYS 18 1HB LYS 18 1.042 -8.096 9.300 160 HG2 LYS 18 2HG LYS 18 3.810 -7.173 9.423 161 HG3 LYS 18 1HG LYS 18 2.627 -5.962 9.921 162 HD2 LYS 18 2HD LYS 18 1.740 -7.396 11.597 163 HD3 LYS 18 1HD LYS 18 2.635 -8.783 10.974 164 HE2 LYS 18 2HE LYS 18 4.705 -7.888 11.707 165 HE3 LYS 18 1HE LYS 18 3.983 -6.316 12.043 166 HZ1 LYS 18 3HZ LYS 18 3.889 -8.780 13.613 167 HZ2 LYS 18 1HZ LYS 18 2.526 -7.777 13.654 168 HZ3 LYS 18 2HZ LYS 18 4.032 -7.179 14.124 169 H GLU 19 H GLU 19 1.202 -7.869 5.649 170 HA GLU 19 HA GLU 19 -1.030 -9.553 5.766 171 HB2 GLU 19 2HB GLU 19 0.106 -7.652 3.927 172 HB3 GLU 19 1HB GLU 19 -0.446 -9.064 3.037 173 HG2 GLU 19 2HG GLU 19 -2.164 -7.348 3.157 174 HG3 GLU 19 1HG GLU 19 -2.666 -8.819 3.989 175 H LEU 20 H LEU 20 1.966 -9.909 3.869 176 HA LEU 20 HA LEU 20 1.246 -12.544 2.999 177 HG LEU 20 HG LEU 20 2.479 -13.478 1.397 178 HB2 LEU 20 2HB LEU 20 2.920 -10.699 2.001 179 HB3 LEU 20 1HB LEU 20 4.077 -11.664 2.896 180 HD11 LEU 20 1HD1 LEU 20 2.983 -12.677 -0.886 181 HD12 LEU 20 2HD1 LEU 20 3.450 -11.120 -0.199 182 HD13 LEU 20 3HD1 LEU 20 1.790 -11.695 -0.036 183 HD21 LEU 20 3HD2 LEU 20 4.923 -13.266 0.125 184 HD22 LEU 20 1HD2 LEU 20 4.539 -14.323 1.482 185 HD23 LEU 20 2HD2 LEU 20 5.265 -12.743 1.772 186 H VAL 21 H VAL 21 3.073 -11.172 5.636 187 HA VAL 21 HA VAL 21 4.446 -13.536 6.399 188 HB VAL 21 HB VAL 21 3.701 -11.082 8.000 189 HG11 VAL 21 1HG1 VAL 21 4.983 -13.617 8.822 190 HG12 VAL 21 2HG1 VAL 21 4.050 -12.457 9.767 191 HG13 VAL 21 3HG1 VAL 21 5.742 -12.131 9.391 192 HG21 VAL 21 3HG2 VAL 21 5.470 -11.222 6.000 193 HG22 VAL 21 1HG2 VAL 21 6.500 -11.764 7.324 194 HG23 VAL 21 2HG2 VAL 21 5.703 -10.194 7.414 195 H ASP 22 H ASP 22 1.257 -12.270 7.001 196 HA ASP 22 HA ASP 22 0.708 -14.333 8.970 197 HB2 ASP 22 2HB ASP 22 -0.164 -11.867 9.012 198 HB3 ASP 22 1HB ASP 22 -1.377 -12.462 7.883 199 H ALA 23 H ALA 23 -0.001 -13.515 5.635 200 HA ALA 23 HA ALA 23 -1.879 -15.703 5.331 201 HB1 ALA 23 1HB ALA 23 -0.745 -14.263 2.989 202 HB2 ALA 23 2HB ALA 23 -1.799 -13.380 4.093 203 HB3 ALA 23 3HB ALA 23 -2.389 -14.830 3.279 204 H GLY 24 H GLY 24 1.491 -15.296 5.197 205 HA2 GLY 24 2HA GLY 24 3.226 -16.539 4.313 206 HA3 GLY 24 1HA GLY 24 2.264 -17.866 4.955 207 H ILE 25 H ILE 25 3.045 -16.007 2.063 208 HA ILE 25 HA ILE 25 2.845 -18.277 0.410 209 HB ILE 25 HB ILE 25 0.950 -17.077 -1.051 210 HG12 ILE 25 2HG1 ILE 25 -0.951 -16.583 0.593 211 HG13 ILE 25 1HG1 ILE 25 0.292 -16.409 1.820 212 HG21 ILE 25 1HG2 ILE 25 -0.250 -18.951 -0.670 213 HG22 ILE 25 2HG2 ILE 25 -0.109 -18.821 1.082 214 HG23 ILE 25 3HG2 ILE 25 1.241 -19.444 0.132 215 HD11 ILE 25 3HD1 ILE 25 -0.168 -14.241 1.096 216 HD12 ILE 25 1HD1 ILE 25 -0.194 -14.718 -0.601 217 HD13 ILE 25 2HD1 ILE 25 1.331 -14.672 0.281 218 H ALA 26 H ALA 26 3.844 -18.000 -1.495 219 HA ALA 26 HA ALA 26 5.465 -17.037 -2.812 220 HB1 ALA 26 1HB ALA 26 3.475 -16.798 -4.129 221 HB2 ALA 26 2HB ALA 26 4.481 -15.363 -4.350 222 HB3 ALA 26 3HB ALA 26 3.059 -15.295 -3.305 223 H GLU 27 H GLU 27 6.991 -16.253 -1.299 224 HA GLU 27 HA GLU 27 6.824 -13.732 -0.049 225 HB2 GLU 27 2HB GLU 27 8.816 -15.817 -0.375 226 HB3 GLU 27 1HB GLU 27 9.546 -14.222 -0.490 227 HG2 GLU 27 2HG GLU 27 8.891 -13.634 1.669 228 HG3 GLU 27 1HG GLU 27 7.701 -14.932 1.759 229 H LYS 28 H LYS 28 7.720 -14.752 -3.224 230 HA LYS 28 HA LYS 28 9.229 -12.712 -4.246 231 HB2 LYS 28 2HB LYS 28 8.858 -14.314 -5.836 232 HB3 LYS 28 1HB LYS 28 7.189 -14.563 -5.357 233 HG2 LYS 28 2HG LYS 28 6.638 -13.539 -7.234 234 HG3 LYS 28 1HG LYS 28 7.154 -12.040 -6.466 235 HD2 LYS 28 2HD LYS 28 9.430 -12.396 -7.345 236 HD3 LYS 28 1HD LYS 28 8.863 -13.853 -8.164 237 HE2 LYS 28 2HE LYS 28 8.654 -12.371 -9.879 238 HE3 LYS 28 1HE LYS 28 7.070 -12.164 -9.134 239 HZ1 LYS 28 3HZ LYS 28 7.632 -10.010 -9.156 240 HZ2 LYS 28 1HZ LYS 28 9.291 -10.319 -9.293 241 HZ3 LYS 28 2HZ LYS 28 8.539 -10.383 -7.779 242 H TYR 29 H TYR 29 5.696 -12.744 -3.840 243 HA TYR 29 HA TYR 29 5.305 -10.186 -4.960 244 HD1 TYR 29 2HD TYR 29 3.749 -13.087 -5.808 245 HD2 TYR 29 1HD TYR 29 2.092 -9.249 -5.020 246 HE1 TYR 29 2HE TYR 29 2.611 -13.140 -7.985 247 HE2 TYR 29 1HE TYR 29 0.947 -9.292 -7.195 248 HH TYR 29 HH TYR 29 1.117 -10.375 -9.344 249 HB2 TYR 29 2HB TYR 29 3.664 -12.127 -3.496 250 HB3 TYR 29 1HB TYR 29 3.178 -10.442 -3.277 251 H ILE 30 H ILE 30 6.209 -11.291 -1.794 252 HA ILE 30 HA ILE 30 5.671 -8.935 -0.348 253 HB ILE 30 HB ILE 30 6.587 -11.391 0.361 254 HG12 ILE 30 2HG1 ILE 30 6.897 -8.842 1.957 255 HG13 ILE 30 1HG1 ILE 30 5.415 -9.779 1.793 256 HG21 ILE 30 1HG2 ILE 30 8.902 -10.527 -0.492 257 HG22 ILE 30 2HG2 ILE 30 8.795 -11.460 1.000 258 HG23 ILE 30 3HG2 ILE 30 8.944 -9.704 1.067 259 HD11 ILE 30 3HD1 ILE 30 6.545 -10.174 3.924 260 HD12 ILE 30 1HD1 ILE 30 7.962 -10.764 3.056 261 HD13 ILE 30 2HD1 ILE 30 6.435 -11.640 2.951 262 H LYS 31 H LYS 31 8.131 -9.827 -2.606 263 HA LYS 31 HA LYS 31 9.976 -7.758 -1.892 264 HB2 LYS 31 2HB LYS 31 10.832 -9.751 -2.953 265 HB3 LYS 31 1HB LYS 31 9.782 -9.519 -4.342 266 HG2 LYS 31 2HG LYS 31 11.471 -8.472 -5.324 267 HG3 LYS 31 1HG LYS 31 11.233 -7.154 -4.174 268 HD2 LYS 31 2HD LYS 31 13.446 -7.619 -3.805 269 HD3 LYS 31 1HD LYS 31 12.704 -8.699 -2.623 270 HE2 LYS 31 2HE LYS 31 14.314 -10.006 -3.728 271 HE3 LYS 31 1HE LYS 31 12.768 -10.479 -4.433 272 HZ1 LYS 31 3HZ LYS 31 14.848 -9.907 -5.914 273 HZ2 LYS 31 1HZ LYS 31 14.255 -8.331 -5.743 274 HZ3 LYS 31 2HZ LYS 31 13.277 -9.535 -6.417 275 H LEU 32 H LEU 32 7.376 -8.123 -4.294 276 HA LEU 32 HA LEU 32 7.955 -5.794 -5.756 277 HG LEU 32 HG LEU 32 5.657 -8.503 -5.017 278 HB2 LEU 32 2HB LEU 32 5.092 -6.168 -5.507 279 HB3 LEU 32 1HB LEU 32 6.114 -6.235 -6.934 280 HD11 LEU 32 1HD1 LEU 32 4.531 -7.977 -7.756 281 HD12 LEU 32 2HD1 LEU 32 3.639 -8.022 -6.234 282 HD13 LEU 32 3HD1 LEU 32 4.371 -9.495 -6.870 283 HD21 LEU 32 3HD2 LEU 32 6.937 -9.855 -6.437 284 HD22 LEU 32 1HD2 LEU 32 7.869 -8.365 -6.298 285 HD23 LEU 32 2HD2 LEU 32 6.900 -8.667 -7.739 286 H ILE 33 H ILE 33 6.306 -6.300 -2.731 287 HA ILE 33 HA ILE 33 5.524 -3.501 -2.543 288 HB ILE 33 HB ILE 33 4.778 -4.245 -0.192 289 HG12 ILE 33 2HG1 ILE 33 5.072 -6.942 -1.527 290 HG13 ILE 33 1HG1 ILE 33 6.020 -6.361 -0.165 291 HG21 ILE 33 1HG2 ILE 33 2.842 -4.003 -1.228 292 HG22 ILE 33 2HG2 ILE 33 2.925 -5.697 -1.716 293 HG23 ILE 33 3HG2 ILE 33 3.565 -4.441 -2.776 294 HD11 ILE 33 3HD1 ILE 33 4.139 -7.924 0.373 295 HD12 ILE 33 1HD1 ILE 33 3.047 -6.616 -0.074 296 HD13 ILE 33 2HD1 ILE 33 4.174 -6.405 1.267 297 H ALA 34 H ALA 34 7.592 -5.806 -0.806 298 HA ALA 34 HA ALA 34 8.603 -4.077 1.111 299 HB1 ALA 34 1HB ALA 34 10.442 -5.643 1.354 300 HB2 ALA 34 2HB ALA 34 10.053 -6.373 -0.203 301 HB3 ALA 34 3HB ALA 34 8.922 -6.513 1.144 302 H ASN 35 H ASN 35 9.368 -4.403 -2.264 303 HA ASN 35 HA ASN 35 11.740 -2.736 -2.037 304 HB2 ASN 35 2HB ASN 35 11.950 -4.587 -3.543 305 HB3 ASN 35 1HB ASN 35 10.455 -4.155 -4.375 306 HD21 ASN 35 1HD2 ASN 35 11.357 -3.947 -6.375 307 HD22 ASN 35 2HD2 ASN 35 12.469 -2.692 -6.794 308 H ALA 36 H ALA 36 8.394 -2.352 -2.578 309 HA ALA 36 HA ALA 36 7.095 -0.544 -3.110 310 HB1 ALA 36 1HB ALA 36 8.679 0.474 -1.409 311 HB2 ALA 36 2HB ALA 36 7.891 1.597 -2.517 312 HB3 ALA 36 3HB ALA 36 9.572 1.136 -2.778 313 H LYS 37 H LYS 37 7.693 1.811 -4.464 314 HA LYS 37 HA LYS 37 9.004 2.309 -6.595 315 HB2 LYS 37 2HB LYS 37 9.202 0.062 -7.426 316 HB3 LYS 37 1HB LYS 37 7.457 -0.181 -7.354 317 HG2 LYS 37 2HG LYS 37 7.135 1.395 -9.160 318 HG3 LYS 37 1HG LYS 37 8.861 1.755 -9.189 319 HD2 LYS 37 2HD LYS 37 8.901 -0.939 -9.456 320 HD3 LYS 37 1HD LYS 37 7.386 -0.552 -10.272 321 HE2 LYS 37 2HE LYS 37 8.465 0.242 -12.049 322 HE3 LYS 37 1HE LYS 37 9.468 1.287 -11.044 323 HZ1 LYS 37 3HZ LYS 37 10.069 -1.588 -11.195 324 HZ2 LYS 37 1HZ LYS 37 11.110 -0.289 -10.888 325 HZ3 LYS 37 2HZ LYS 37 10.552 -0.573 -12.459 326 H THR 38 H THR 38 5.716 1.036 -6.262 327 HA THR 38 HA THR 38 4.677 3.676 -7.031 328 HB THR 38 HB THR 38 2.681 2.175 -7.928 329 HG1 THR 38 1HG THR 38 3.189 0.183 -8.345 330 HG21 THR 38 3HG2 THR 38 5.124 2.330 -9.653 331 HG22 THR 38 1HG2 THR 38 4.166 3.753 -9.247 332 HG23 THR 38 2HG2 THR 38 3.427 2.414 -10.127 333 H VAL 39 H VAL 39 4.048 4.397 -5.066 334 HA VAL 39 HA VAL 39 3.254 3.066 -2.830 335 HB VAL 39 HB VAL 39 3.476 5.515 -2.939 336 HG11 VAL 39 1HG1 VAL 39 1.773 6.927 -3.843 337 HG12 VAL 39 2HG1 VAL 39 0.744 5.542 -4.208 338 HG13 VAL 39 3HG1 VAL 39 2.251 5.780 -5.093 339 HG21 VAL 39 3HG2 VAL 39 1.306 4.097 -1.609 340 HG22 VAL 39 1HG2 VAL 39 0.995 5.824 -1.786 341 HG23 VAL 39 2HG2 VAL 39 2.454 5.271 -0.966 342 H GLU 40 H GLU 40 1.299 3.771 -5.659 343 HA GLU 40 HA GLU 40 -1.157 2.814 -4.576 344 HB2 GLU 40 2HB GLU 40 -0.237 3.908 -7.105 345 HB3 GLU 40 1HB GLU 40 -1.324 2.549 -7.358 346 HG2 GLU 40 2HG GLU 40 -1.892 5.037 -5.767 347 HG3 GLU 40 1HG GLU 40 -2.569 4.601 -7.336 348 H GLY 41 H GLY 41 1.359 1.405 -6.653 349 HA2 GLY 41 2HA GLY 41 0.098 -1.104 -7.002 350 HA3 GLY 41 1HA GLY 41 1.820 -0.790 -7.167 351 H VAL 42 H VAL 42 2.472 0.046 -4.613 352 HA VAL 42 HA VAL 42 2.996 -2.281 -3.237 353 HB VAL 42 HB VAL 42 2.466 0.335 -1.832 354 HG11 VAL 42 1HG1 VAL 42 4.775 -1.317 -1.115 355 HG12 VAL 42 2HG1 VAL 42 3.210 -2.084 -0.835 356 HG13 VAL 42 3HG1 VAL 42 3.575 -0.530 -0.086 357 HG21 VAL 42 3HG2 VAL 42 3.943 1.255 -3.247 358 HG22 VAL 42 1HG2 VAL 42 4.484 -0.311 -3.851 359 HG23 VAL 42 2HG2 VAL 42 5.150 0.333 -2.350 360 H TRP 43 H TRP 43 0.215 -0.121 -2.952 361 HA TRP 43 HA TRP 43 -1.021 -1.660 -0.865 362 HD1 TRP 43 HD TRP 43 -2.256 0.269 1.208 363 HE1 TRP 43 1HE TRP 43 -4.646 -0.102 2.086 364 HE3 TRP 43 3HE TRP 43 -4.634 -0.560 -3.242 365 HZ2 TRP 43 2HZ TRP 43 -7.202 -0.673 1.031 366 HZ3 TRP 43 3HZ TRP 43 -7.052 -1.010 -3.220 367 HH2 TRP 43 HH TRP 43 -8.301 -1.067 -1.129 368 HB2 TRP 43 2HB TRP 43 -1.341 0.833 -1.266 369 HB3 TRP 43 1HB TRP 43 -2.370 0.389 -2.624 370 H THR 44 H THR 44 -1.093 -1.636 -4.360 371 HA THR 44 HA THR 44 -3.513 -3.208 -4.523 372 HB THR 44 HB THR 44 -1.551 -2.911 -6.777 373 HG1 THR 44 1HG THR 44 -3.293 -0.937 -5.747 374 HG21 THR 44 3HG2 THR 44 -3.990 -2.401 -7.797 375 HG22 THR 44 1HG2 THR 44 -4.406 -3.528 -6.506 376 HG23 THR 44 2HG2 THR 44 -3.247 -4.000 -7.749 377 H LEU 45 H LEU 45 -0.060 -3.804 -5.076 378 HA LEU 45 HA LEU 45 -0.245 -6.512 -5.731 379 HB2 LEU 45 2HB LEU 45 1.928 -4.824 -4.535 380 HB3 LEU 45 1HB LEU 45 2.151 -6.552 -4.721 381 HD11 LEU 45 1HD1 LEU 45 0.531 -6.558 -7.559 382 HD12 LEU 45 2HD1 LEU 45 1.864 -7.560 -6.987 383 HD13 LEU 45 3HD1 LEU 45 2.075 -6.543 -8.413 384 HD21 LEU 45 3HD2 LEU 45 2.058 -3.338 -6.540 385 HD22 LEU 45 1HD2 LEU 45 0.514 -4.079 -6.963 386 HD23 LEU 45 2HD2 LEU 45 1.831 -4.054 -8.136 387 H LYS 46 H LYS 46 -0.176 -4.847 -2.658 388 HA LYS 46 HA LYS 46 0.188 -7.137 -1.018 389 HB2 LYS 46 2HB LYS 46 0.690 -5.072 -0.008 390 HB3 LYS 46 1HB LYS 46 -0.801 -4.332 -0.559 391 HG2 LYS 46 2HG LYS 46 -1.998 -5.934 1.012 392 HG3 LYS 46 1HG LYS 46 -0.407 -6.263 1.701 393 HD2 LYS 46 2HD LYS 46 -0.207 -3.718 1.949 394 HD3 LYS 46 1HD LYS 46 -1.947 -3.685 1.663 395 HE2 LYS 46 2HE LYS 46 -1.163 -5.665 3.647 396 HE3 LYS 46 1HE LYS 46 -0.700 -4.025 4.100 397 HZ1 LYS 46 3HZ LYS 46 -3.345 -5.198 3.833 398 HZ2 LYS 46 1HZ LYS 46 -3.185 -3.607 3.278 399 HZ3 LYS 46 2HZ LYS 46 -2.797 -3.987 4.879 400 H ASP 47 H ASP 47 -2.720 -5.158 -1.619 401 HA ASP 47 HA ASP 47 -4.538 -6.894 -0.396 402 HB2 ASP 47 2HB ASP 47 -4.721 -4.428 -1.539 403 HB3 ASP 47 1HB ASP 47 -5.549 -5.412 -2.741 404 H GLU 48 H GLU 48 -3.113 -6.899 -3.575 405 HA GLU 48 HA GLU 48 -4.908 -8.842 -4.680 406 HB2 GLU 48 2HB GLU 48 -3.539 -7.099 -5.962 407 HB3 GLU 48 1HB GLU 48 -2.165 -8.174 -5.731 408 HG2 GLU 48 2HG GLU 48 -2.983 -9.758 -7.159 409 HG3 GLU 48 1HG GLU 48 -4.662 -9.295 -6.887 410 H ILE 49 H ILE 49 -1.477 -8.947 -3.655 411 HA ILE 49 HA ILE 49 -1.126 -11.675 -4.087 412 HB ILE 49 HB ILE 49 0.784 -10.221 -3.675 413 HG12 ILE 49 2HG1 ILE 49 2.080 -11.752 -2.345 414 HG13 ILE 49 1HG1 ILE 49 0.639 -12.345 -1.533 415 HG21 ILE 49 1HG2 ILE 49 0.302 -10.227 -0.744 416 HG22 ILE 49 2HG2 ILE 49 -0.491 -9.017 -1.748 417 HG23 ILE 49 3HG2 ILE 49 1.268 -9.130 -1.732 418 HD11 ILE 49 3HD1 ILE 49 1.315 -13.984 -3.104 419 HD12 ILE 49 1HD1 ILE 49 1.443 -12.789 -4.391 420 HD13 ILE 49 2HD1 ILE 49 -0.136 -13.214 -3.744 421 H LEU 50 H LEU 50 -2.827 -10.042 -1.565 422 HA LEU 50 HA LEU 50 -2.800 -12.329 0.202 423 HG LEU 50 HG LEU 50 -4.160 -12.074 2.233 424 HB2 LEU 50 2HB LEU 50 -3.141 -9.717 0.700 425 HB3 LEU 50 1HB LEU 50 -4.827 -10.187 0.538 426 HD11 LEU 50 1HD1 LEU 50 -2.498 -10.786 3.859 427 HD12 LEU 50 2HD1 LEU 50 -1.893 -10.179 2.316 428 HD13 LEU 50 3HD1 LEU 50 -1.932 -11.914 2.625 429 HD21 LEU 50 3HD2 LEU 50 -4.920 -10.693 4.029 430 HD22 LEU 50 1HD2 LEU 50 -5.773 -10.196 2.568 431 HD23 LEU 50 2HD2 LEU 50 -4.432 -9.227 3.179 432 H THR 51 H THR 51 -4.834 -10.933 -2.262 433 HA THR 51 HA THR 51 -7.187 -12.407 -1.761 434 HB THR 51 HB THR 51 -6.088 -11.061 -4.224 435 HG1 THR 51 1HG THR 51 -7.163 -9.428 -3.485 436 HG21 THR 51 3HG2 THR 51 -8.772 -12.391 -3.944 437 HG22 THR 51 1HG2 THR 51 -7.498 -12.798 -5.095 438 HG23 THR 51 2HG2 THR 51 -8.335 -11.249 -5.216 439 H PHE 52 H PHE 52 -4.172 -13.330 -3.264 440 HA PHE 52 HA PHE 52 -5.336 -15.608 -4.599 441 HD1 PHE 52 2HD PHE 52 -1.483 -14.384 -2.995 442 HD2 PHE 52 1HD PHE 52 -2.329 -17.595 -5.639 443 HE1 PHE 52 2HE PHE 52 0.511 -15.560 -2.169 444 HE2 PHE 52 1HE PHE 52 -0.338 -18.792 -4.826 445 HZ PHE 52 HZ PHE 52 1.085 -17.775 -3.091 446 HB2 PHE 52 2HB PHE 52 -3.482 -15.539 -5.852 447 HB3 PHE 52 1HB PHE 52 -2.995 -14.119 -4.942 448 H THR 53 H THR 53 -5.303 -15.175 -1.605 449 HA THR 53 HA THR 53 -5.262 -17.862 -0.841 450 HB THR 53 HB THR 53 -2.754 -16.302 -0.227 451 HG1 THR 53 1HG THR 53 -3.263 -18.961 -1.057 452 HG21 THR 53 3HG2 THR 53 -2.866 -16.975 1.905 453 HG22 THR 53 1HG2 THR 53 -2.410 -18.543 1.238 454 HG23 THR 53 2HG2 THR 53 -4.105 -18.185 1.570 455 H VAL 54 H VAL 54 -7.272 -16.611 -0.403 456 HA VAL 54 HA VAL 54 -7.151 -15.445 2.288 457 HB VAL 54 HB VAL 54 -9.358 -14.238 1.221 458 HG11 VAL 54 1HG1 VAL 54 -7.544 -12.322 0.796 459 HG12 VAL 54 2HG1 VAL 54 -6.566 -13.441 1.747 460 HG13 VAL 54 3HG1 VAL 54 -8.069 -12.806 2.407 461 HG21 VAL 54 3HG2 VAL 54 -7.274 -14.211 -0.951 462 HG22 VAL 54 1HG2 VAL 54 -8.814 -13.354 -0.948 463 HG23 VAL 54 2HG2 VAL 54 -8.777 -15.115 -1.028 464 H THR 55 H THR 55 -9.928 -16.062 0.180 465 HA THR 55 HA THR 55 -11.731 -17.443 0.378 466 HB THR 55 HB THR 55 -10.329 -19.055 2.484 467 HG1 THR 55 1HG THR 55 -9.826 -19.268 -0.297 468 HG21 THR 55 3HG2 THR 55 -11.282 -20.873 0.850 469 HG22 THR 55 1HG2 THR 55 -12.381 -19.567 0.405 470 HG23 THR 55 2HG2 THR 55 -12.291 -20.118 2.077 471 H GLU 56 H GLU 56 -13.550 -17.772 1.725 472 HA GLU 56 HA GLU 56 -15.011 -17.233 3.381 473 HB2 GLU 56 2HB GLU 56 -12.536 -17.095 5.106 474 HB3 GLU 56 1HB GLU 56 -14.184 -17.184 5.690 475 HG2 GLU 56 2HG GLU 56 -14.451 -19.393 4.906 476 HG3 GLU 56 1HG GLU 56 -12.972 -19.307 3.951 Start of MODEL 9 1 HA THR 1 HA THR 1 13.194 10.700 7.417 2 HB THR 1 HB THR 1 12.265 9.374 9.970 3 HG1 THR 1 1HG THR 1 14.473 8.985 10.286 4 H1 THR 1 1HT THR 1 13.608 12.143 9.118 5 H2 THR 1 2HT THR 1 12.204 11.687 9.992 6 H3 THR 1 3HT THR 1 12.058 12.606 8.554 7 HG21 THR 1 1HG2 THR 1 12.018 7.644 8.529 8 HG22 THR 1 2HG2 THR 1 13.749 7.504 8.834 9 HG23 THR 1 3HG2 THR 1 13.173 8.298 7.371 10 H THR 2 H THR 2 10.336 11.234 9.389 11 HA THR 2 HA THR 2 8.687 10.391 7.105 12 HB THR 2 HB THR 2 7.006 9.572 8.862 13 HG1 THR 2 1HG THR 2 9.375 9.549 10.426 14 HG21 THR 2 3HG2 THR 2 8.478 8.106 7.398 15 HG22 THR 2 1HG2 THR 2 7.818 7.396 8.872 16 HG23 THR 2 2HG2 THR 2 9.498 7.922 8.821 17 H TYR 3 H TYR 3 6.848 11.604 6.735 18 HA TYR 3 HA TYR 3 6.522 13.973 8.436 19 HD1 TYR 3 1HD TYR 3 8.469 13.172 5.033 20 HD2 TYR 3 2HD TYR 3 4.243 13.595 4.754 21 HE1 TYR 3 1HE TYR 3 8.485 11.872 2.946 22 HE2 TYR 3 2HE TYR 3 4.247 12.293 2.666 23 HH TYR 3 HH TYR 3 5.720 10.573 1.567 24 HB2 TYR 3 2HB TYR 3 5.542 14.986 6.267 25 HB3 TYR 3 1HB TYR 3 7.288 14.808 6.385 26 H LYS 4 H LYS 4 4.897 11.517 6.507 27 HA LYS 4 HA LYS 4 2.793 10.659 6.571 28 HB2 LYS 4 2HB LYS 4 3.495 10.931 9.163 29 HB3 LYS 4 1HB LYS 4 2.095 11.989 9.132 30 HG2 LYS 4 2HG LYS 4 1.560 9.481 7.786 31 HG3 LYS 4 1HG LYS 4 2.086 9.247 9.458 32 HD2 LYS 4 2HD LYS 4 -0.083 9.594 9.945 33 HD3 LYS 4 1HD LYS 4 0.331 11.302 9.744 34 HE2 LYS 4 2HE LYS 4 -1.705 10.632 8.508 35 HE3 LYS 4 1HE LYS 4 -0.433 11.264 7.464 36 HZ1 LYS 4 3HZ LYS 4 -0.420 8.389 7.860 37 HZ2 LYS 4 1HZ LYS 4 -0.157 9.292 6.454 38 HZ3 LYS 4 2HZ LYS 4 -1.733 8.992 6.989 39 H LEU 5 H LEU 5 2.623 12.415 4.850 40 HA LEU 5 HA LEU 5 0.265 14.034 5.478 41 HG LEU 5 HG LEU 5 1.157 15.832 6.602 42 HB2 LEU 5 2HB LEU 5 2.837 15.019 4.280 43 HB3 LEU 5 1HB LEU 5 1.316 15.838 3.964 44 HD11 LEU 5 1HD1 LEU 5 3.040 15.503 7.767 45 HD12 LEU 5 2HD1 LEU 5 4.039 16.322 6.567 46 HD13 LEU 5 3HD1 LEU 5 3.597 14.638 6.336 47 HD21 LEU 5 3HD2 LEU 5 1.059 17.929 5.769 48 HD22 LEU 5 1HD2 LEU 5 2.406 17.674 4.656 49 HD23 LEU 5 2HD2 LEU 5 2.716 18.000 6.364 50 H ILE 6 H ILE 6 2.478 13.189 2.813 51 HA ILE 6 HA ILE 6 0.108 12.699 1.131 52 HB ILE 6 HB ILE 6 2.861 13.404 0.123 53 HG12 ILE 6 2HG1 ILE 6 0.503 15.275 0.267 54 HG13 ILE 6 1HG1 ILE 6 1.721 15.207 1.533 55 HG21 ILE 6 1HG2 ILE 6 0.454 13.935 -1.481 56 HG22 ILE 6 2HG2 ILE 6 0.820 12.237 -1.207 57 HG23 ILE 6 3HG2 ILE 6 2.020 13.277 -1.960 58 HD11 ILE 6 3HD1 ILE 6 2.627 16.868 0.314 59 HD12 ILE 6 1HD1 ILE 6 1.875 16.328 -1.188 60 HD13 ILE 6 2HD1 ILE 6 3.319 15.519 -0.584 61 H LEU 7 H LEU 7 -0.030 10.818 -0.010 62 HA LEU 7 HA LEU 7 0.374 8.672 -0.649 63 HG LEU 7 HG LEU 7 2.397 10.942 -1.580 64 HB2 LEU 7 2HB LEU 7 3.278 9.171 -0.022 65 HB3 LEU 7 1HB LEU 7 2.610 7.962 -1.109 66 HD11 LEU 7 1HD1 LEU 7 4.751 9.719 -1.571 67 HD12 LEU 7 2HD1 LEU 7 4.333 10.945 -2.768 68 HD13 LEU 7 3HD1 LEU 7 4.218 9.229 -3.178 69 HD21 LEU 7 3HD2 LEU 7 0.759 10.055 -2.899 70 HD22 LEU 7 1HD2 LEU 7 1.567 8.490 -3.047 71 HD23 LEU 7 2HD2 LEU 7 2.139 9.875 -3.984 72 H ASN 8 H ASN 8 1.936 6.667 0.228 73 HA ASN 8 HA ASN 8 2.439 6.460 2.958 74 HB2 ASN 8 2HB ASN 8 -0.230 6.723 2.701 75 HB3 ASN 8 1HB ASN 8 -0.096 4.984 2.483 76 HD21 ASN 8 1HD2 ASN 8 -1.319 4.843 4.450 77 HD22 ASN 8 2HD2 ASN 8 -0.516 4.986 5.974 78 H LEU 9 H LEU 9 3.788 5.626 0.820 79 HA LEU 9 HA LEU 9 3.235 2.935 0.066 80 HG LEU 9 HG LEU 9 5.287 1.958 -1.213 81 HB2 LEU 9 2HB LEU 9 4.323 4.395 -1.460 82 HB3 LEU 9 1HB LEU 9 5.574 4.786 -0.294 83 HD11 LEU 9 1HD1 LEU 9 5.484 4.027 -3.036 84 HD12 LEU 9 2HD1 LEU 9 5.917 2.338 -3.312 85 HD13 LEU 9 3HD1 LEU 9 7.150 3.494 -2.812 86 HD21 LEU 9 3HD2 LEU 9 6.999 3.279 0.489 87 HD22 LEU 9 1HD2 LEU 9 7.921 3.187 -1.012 88 HD23 LEU 9 2HD2 LEU 9 7.298 1.715 -0.268 89 H LYS 10 H LYS 10 5.620 4.488 2.187 90 HA LYS 10 HA LYS 10 7.112 2.283 2.919 91 HB2 LYS 10 2HB LYS 10 6.411 4.841 4.305 92 HB3 LYS 10 1HB LYS 10 7.286 3.597 5.186 93 HG2 LYS 10 2HG LYS 10 9.032 3.628 3.452 94 HG3 LYS 10 1HG LYS 10 8.164 4.928 2.632 95 HD2 LYS 10 2HD LYS 10 9.718 6.106 3.872 96 HD3 LYS 10 1HD LYS 10 8.317 6.120 4.944 97 HE2 LYS 10 2HE LYS 10 9.581 3.793 5.650 98 HE3 LYS 10 1HE LYS 10 10.934 4.862 5.282 99 HZ1 LYS 10 3HZ LYS 10 8.779 5.925 6.944 100 HZ2 LYS 10 1HZ LYS 10 10.442 6.230 6.999 101 HZ3 LYS 10 2HZ LYS 10 9.822 4.795 7.648 102 H GLN 11 H GLN 11 4.007 3.387 4.147 103 HA GLN 11 HA GLN 11 3.915 1.276 6.131 104 HB2 GLN 11 2HB GLN 11 2.749 3.809 5.897 105 HB3 GLN 11 1HB GLN 11 1.412 2.679 5.731 106 HG2 GLN 11 2HG GLN 11 1.712 1.807 7.855 107 HG3 GLN 11 1HG GLN 11 3.376 2.378 7.961 108 HE21 GLN 11 1HE2 GLN 11 2.707 3.207 10.042 109 HE22 GLN 11 2HE2 GLN 11 1.911 4.736 10.131 110 H ALA 12 H ALA 12 2.682 1.960 2.958 111 HA ALA 12 HA ALA 12 0.600 0.066 2.893 112 HB1 ALA 12 1HB ALA 12 0.326 1.282 1.030 113 HB2 ALA 12 2HB ALA 12 1.493 0.181 0.298 114 HB3 ALA 12 3HB ALA 12 2.030 1.724 0.960 115 H LYS 13 H LYS 13 4.054 -0.149 2.302 116 HA LYS 13 HA LYS 13 3.846 -2.921 1.493 117 HB2 LYS 13 2HB LYS 13 5.999 -2.787 0.751 118 HB3 LYS 13 1HB LYS 13 5.558 -1.091 0.670 119 HG2 LYS 13 2HG LYS 13 6.736 -1.851 3.235 120 HG3 LYS 13 1HG LYS 13 7.798 -2.107 1.851 121 HD2 LYS 13 2HD LYS 13 7.254 0.223 1.117 122 HD3 LYS 13 1HD LYS 13 6.427 0.447 2.659 123 HE2 LYS 13 2HE LYS 13 8.811 1.274 2.561 124 HE3 LYS 13 1HE LYS 13 8.434 0.172 3.885 125 HZ1 LYS 13 3HZ LYS 13 9.429 -1.024 1.421 126 HZ2 LYS 13 1HZ LYS 13 9.732 -1.449 3.030 127 HZ3 LYS 13 2HZ LYS 13 10.542 -0.137 2.335 128 H GLU 14 H GLU 14 4.826 -1.078 4.333 129 HA GLU 14 HA GLU 14 5.978 -3.191 5.780 130 HB2 GLU 14 2HB GLU 14 6.070 -1.740 7.546 131 HB3 GLU 14 1HB GLU 14 5.769 -0.579 6.267 132 HG2 GLU 14 2HG GLU 14 3.418 -0.514 6.832 133 HG3 GLU 14 1HG GLU 14 3.655 -1.759 8.057 134 H GLU 15 H GLU 15 2.646 -1.959 5.731 135 HA GLU 15 HA GLU 15 1.581 -3.937 7.460 136 HB2 GLU 15 2HB GLU 15 0.411 -1.815 6.943 137 HB3 GLU 15 1HB GLU 15 0.203 -2.350 5.280 138 HG2 GLU 15 2HG GLU 15 -1.767 -3.132 5.937 139 HG3 GLU 15 1HG GLU 15 -0.860 -4.430 6.714 140 H ALA 16 H ALA 16 2.116 -3.686 4.016 141 HA ALA 16 HA ALA 16 0.679 -5.967 3.226 142 HB1 ALA 16 1HB ALA 16 3.071 -4.699 1.901 143 HB2 ALA 16 2HB ALA 16 1.390 -4.229 1.657 144 HB3 ALA 16 3HB ALA 16 1.940 -5.824 1.151 145 H ILE 17 H ILE 17 3.934 -5.474 4.445 146 HA ILE 17 HA ILE 17 5.014 -7.987 3.807 147 HB ILE 17 HB ILE 17 5.691 -5.807 5.684 148 HG12 ILE 17 2HG1 ILE 17 7.917 -6.141 4.746 149 HG13 ILE 17 1HG1 ILE 17 7.394 -7.638 3.982 150 HG21 ILE 17 1HG2 ILE 17 6.541 -8.640 6.240 151 HG22 ILE 17 2HG2 ILE 17 5.737 -7.514 7.334 152 HG23 ILE 17 3HG2 ILE 17 7.408 -7.230 6.846 153 HD11 ILE 17 3HD1 ILE 17 6.820 -4.822 3.234 154 HD12 ILE 17 1HD1 ILE 17 5.639 -6.069 2.836 155 HD13 ILE 17 2HD1 ILE 17 7.287 -6.189 2.224 156 H LYS 18 H LYS 18 3.233 -6.819 6.631 157 HA LYS 18 HA LYS 18 3.258 -9.265 8.053 158 HB2 LYS 18 2HB LYS 18 1.368 -6.906 8.177 159 HB3 LYS 18 1HB LYS 18 1.333 -8.252 9.308 160 HG2 LYS 18 2HG LYS 18 3.918 -7.557 9.511 161 HG3 LYS 18 1HG LYS 18 3.213 -5.993 9.101 162 HD2 LYS 18 2HD LYS 18 2.162 -5.806 11.087 163 HD3 LYS 18 1HD LYS 18 1.753 -7.522 11.145 164 HE2 LYS 18 2HE LYS 18 3.815 -8.105 12.061 165 HE3 LYS 18 1HE LYS 18 4.576 -6.601 11.543 166 HZ1 LYS 18 3HZ LYS 18 2.712 -5.651 13.167 167 HZ2 LYS 18 1HZ LYS 18 4.259 -6.081 13.699 168 HZ3 LYS 18 2HZ LYS 18 2.965 -7.152 13.900 169 H GLU 19 H GLU 19 1.215 -7.913 5.565 170 HA GLU 19 HA GLU 19 -1.015 -9.569 5.733 171 HB2 GLU 19 2HB GLU 19 0.110 -7.705 3.855 172 HB3 GLU 19 1HB GLU 19 -0.502 -9.103 2.988 173 HG2 GLU 19 2HG GLU 19 -2.195 -7.394 3.127 174 HG3 GLU 19 1HG GLU 19 -2.681 -8.806 4.065 175 H LEU 20 H LEU 20 1.909 -10.018 3.733 176 HA LEU 20 HA LEU 20 1.058 -12.639 2.927 177 HG LEU 20 HG LEU 20 2.060 -13.551 1.200 178 HB2 LEU 20 2HB LEU 20 2.764 -10.833 1.846 179 HB3 LEU 20 1HB LEU 20 3.905 -11.919 2.614 180 HD11 LEU 20 1HD1 LEU 20 3.030 -11.190 -0.383 181 HD12 LEU 20 2HD1 LEU 20 1.365 -11.714 -0.131 182 HD13 LEU 20 3HD1 LEU 20 2.463 -12.698 -1.099 183 HD21 LEU 20 3HD2 LEU 20 4.610 -13.114 -0.115 184 HD22 LEU 20 1HD2 LEU 20 3.953 -14.569 0.631 185 HD23 LEU 20 2HD2 LEU 20 4.780 -13.369 1.622 186 H VAL 21 H VAL 21 3.170 -11.299 5.380 187 HA VAL 21 HA VAL 21 4.517 -13.670 6.094 188 HB VAL 21 HB VAL 21 3.869 -11.207 7.717 189 HG11 VAL 21 1HG1 VAL 21 4.151 -12.809 9.389 190 HG12 VAL 21 2HG1 VAL 21 5.763 -12.119 9.204 191 HG13 VAL 21 3HG1 VAL 21 5.386 -13.680 8.477 192 HG21 VAL 21 3HG2 VAL 21 5.580 -11.428 5.663 193 HG22 VAL 21 1HG2 VAL 21 6.634 -11.938 6.982 194 HG23 VAL 21 2HG2 VAL 21 5.852 -10.358 7.038 195 H ASP 22 H ASP 22 1.363 -12.410 6.878 196 HA ASP 22 HA ASP 22 0.923 -14.499 8.850 197 HB2 ASP 22 2HB ASP 22 -0.096 -11.905 8.516 198 HB3 ASP 22 1HB ASP 22 -1.450 -12.976 8.172 199 H ALA 23 H ALA 23 -0.068 -13.571 5.606 200 HA ALA 23 HA ALA 23 -1.985 -15.698 5.342 201 HB1 ALA 23 1HB ALA 23 -0.781 -13.735 3.413 202 HB2 ALA 23 2HB ALA 23 -2.435 -13.814 4.020 203 HB3 ALA 23 3HB ALA 23 -1.855 -15.029 2.881 204 H GLY 24 H GLY 24 1.403 -15.491 5.154 205 HA2 GLY 24 2HA GLY 24 3.046 -16.915 4.419 206 HA3 GLY 24 1HA GLY 24 1.885 -18.171 4.831 207 H ILE 25 H ILE 25 3.504 -16.515 2.275 208 HA ILE 25 HA ILE 25 2.771 -18.497 0.396 209 HB ILE 25 HB ILE 25 1.875 -16.237 -1.054 210 HG12 ILE 25 2HG1 ILE 25 0.165 -16.650 1.406 211 HG13 ILE 25 1HG1 ILE 25 1.273 -15.296 1.220 212 HG21 ILE 25 1HG2 ILE 25 0.524 -18.731 -0.060 213 HG22 ILE 25 2HG2 ILE 25 1.267 -18.450 -1.634 214 HG23 ILE 25 3HG2 ILE 25 -0.220 -17.608 -1.198 215 HD11 ILE 25 3HD1 ILE 25 -1.023 -15.913 -0.616 216 HD12 ILE 25 1HD1 ILE 25 0.045 -14.513 -0.700 217 HD13 ILE 25 2HD1 ILE 25 -1.040 -14.714 0.676 218 H ALA 26 H ALA 26 3.240 -17.284 -1.995 219 HA ALA 26 HA ALA 26 5.926 -17.277 -2.304 220 HB1 ALA 26 1HB ALA 26 3.750 -15.948 -3.842 221 HB2 ALA 26 2HB ALA 26 4.809 -17.281 -4.305 222 HB3 ALA 26 3HB ALA 26 5.429 -15.626 -4.284 223 H GLU 27 H GLU 27 7.147 -16.232 -0.780 224 HA GLU 27 HA GLU 27 6.807 -13.667 0.209 225 HB2 GLU 27 2HB GLU 27 9.206 -13.711 0.756 226 HB3 GLU 27 1HB GLU 27 8.423 -15.234 1.157 227 HG2 GLU 27 2HG GLU 27 9.698 -16.395 -0.253 228 HG3 GLU 27 1HG GLU 27 9.545 -15.189 -1.530 229 H LYS 28 H LYS 28 7.956 -14.716 -2.869 230 HA LYS 28 HA LYS 28 9.479 -12.653 -3.830 231 HB2 LYS 28 2HB LYS 28 9.175 -14.437 -5.304 232 HB3 LYS 28 1HB LYS 28 7.430 -14.441 -5.100 233 HG2 LYS 28 2HG LYS 28 7.275 -13.384 -7.025 234 HG3 LYS 28 1HG LYS 28 8.011 -11.974 -6.262 235 HD2 LYS 28 2HD LYS 28 10.252 -12.977 -6.812 236 HD3 LYS 28 1HD LYS 28 9.394 -14.177 -7.779 237 HE2 LYS 28 2HE LYS 28 8.670 -11.372 -8.305 238 HE3 LYS 28 1HE LYS 28 10.319 -11.820 -8.738 239 HZ1 LYS 28 3HZ LYS 28 9.616 -13.146 -10.398 240 HZ2 LYS 28 1HZ LYS 28 8.237 -12.167 -10.347 241 HZ3 LYS 28 2HZ LYS 28 8.238 -13.669 -9.569 242 H TYR 29 H TYR 29 5.941 -12.792 -3.617 243 HA TYR 29 HA TYR 29 5.446 -10.315 -4.820 244 HD1 TYR 29 2HD TYR 29 3.845 -13.348 -5.430 245 HD2 TYR 29 1HD TYR 29 2.323 -9.413 -4.885 246 HE1 TYR 29 2HE TYR 29 2.643 -13.524 -7.567 247 HE2 TYR 29 1HE TYR 29 1.117 -9.577 -7.021 248 HH TYR 29 HH TYR 29 0.727 -12.524 -8.690 249 HB2 TYR 29 2HB TYR 29 3.916 -12.245 -3.239 250 HB3 TYR 29 1HB TYR 29 3.369 -10.577 -3.061 251 H ILE 30 H ILE 30 6.379 -11.207 -1.575 252 HA ILE 30 HA ILE 30 5.792 -8.779 -0.274 253 HB ILE 30 HB ILE 30 8.128 -10.603 0.330 254 HG12 ILE 30 2HG1 ILE 30 5.286 -10.704 1.369 255 HG13 ILE 30 1HG1 ILE 30 6.031 -11.875 0.285 256 HG21 ILE 30 1HG2 ILE 30 7.254 -9.600 2.704 257 HG22 ILE 30 2HG2 ILE 30 6.975 -8.238 1.617 258 HG23 ILE 30 3HG2 ILE 30 8.587 -8.937 1.757 259 HD11 ILE 30 3HD1 ILE 30 7.368 -11.373 2.878 260 HD12 ILE 30 1HD1 ILE 30 7.218 -12.862 1.947 261 HD13 ILE 30 2HD1 ILE 30 5.852 -12.272 2.892 262 H LYS 31 H LYS 31 8.273 -9.748 -2.498 263 HA LYS 31 HA LYS 31 10.051 -7.580 -1.922 264 HB2 LYS 31 2HB LYS 31 10.934 -9.616 -2.913 265 HB3 LYS 31 1HB LYS 31 9.900 -9.418 -4.319 266 HG2 LYS 31 2HG LYS 31 11.665 -8.439 -5.262 267 HG3 LYS 31 1HG LYS 31 11.256 -7.041 -4.266 268 HD2 LYS 31 2HD LYS 31 13.453 -7.307 -3.686 269 HD3 LYS 31 1HD LYS 31 12.696 -8.342 -2.473 270 HE2 LYS 31 2HE LYS 31 13.306 -9.676 -5.014 271 HE3 LYS 31 1HE LYS 31 14.719 -9.100 -4.130 272 HZ1 LYS 31 3HZ LYS 31 12.661 -10.582 -2.660 273 HZ2 LYS 31 1HZ LYS 31 14.333 -10.516 -2.402 274 HZ3 LYS 31 2HZ LYS 31 13.707 -11.450 -3.667 275 H LEU 32 H LEU 32 7.422 -8.133 -4.247 276 HA LEU 32 HA LEU 32 7.914 -5.859 -5.832 277 HG LEU 32 HG LEU 32 5.696 -8.609 -4.956 278 HB2 LEU 32 2HB LEU 32 5.063 -6.323 -5.518 279 HB3 LEU 32 1HB LEU 32 6.065 -6.402 -6.960 280 HD11 LEU 32 1HD1 LEU 32 3.687 -8.205 -6.262 281 HD12 LEU 32 2HD1 LEU 32 4.447 -9.726 -6.730 282 HD13 LEU 32 3HD1 LEU 32 4.628 -8.300 -7.751 283 HD21 LEU 32 3HD2 LEU 32 7.137 -9.921 -6.171 284 HD22 LEU 32 1HD2 LEU 32 7.911 -8.344 -6.335 285 HD23 LEU 32 2HD2 LEU 32 6.918 -8.979 -7.645 286 H ILE 33 H ILE 33 6.328 -6.280 -2.765 287 HA ILE 33 HA ILE 33 5.472 -3.494 -2.691 288 HB ILE 33 HB ILE 33 4.747 -4.199 -0.302 289 HG12 ILE 33 2HG1 ILE 33 4.937 -6.907 -1.630 290 HG13 ILE 33 1HG1 ILE 33 6.000 -6.341 -0.347 291 HG21 ILE 33 1HG2 ILE 33 3.030 -3.685 -1.723 292 HG22 ILE 33 2HG2 ILE 33 2.705 -5.388 -1.408 293 HG23 ILE 33 3HG2 ILE 33 3.493 -4.903 -2.909 294 HD11 ILE 33 3HD1 ILE 33 4.249 -7.798 0.490 295 HD12 ILE 33 1HD1 ILE 33 3.033 -6.680 -0.126 296 HD13 ILE 33 2HD1 ILE 33 4.130 -6.170 1.156 297 H ALA 34 H ALA 34 7.614 -5.689 -0.903 298 HA ALA 34 HA ALA 34 8.567 -3.848 0.961 299 HB1 ALA 34 1HB ALA 34 10.408 -5.367 1.321 300 HB2 ALA 34 2HB ALA 34 10.096 -6.165 -0.220 301 HB3 ALA 34 3HB ALA 34 8.923 -6.291 1.091 302 H ASN 35 H ASN 35 9.383 -4.369 -2.386 303 HA ASN 35 HA ASN 35 11.750 -2.710 -2.257 304 HB2 ASN 35 2HB ASN 35 11.825 -4.575 -3.770 305 HB3 ASN 35 1HB ASN 35 10.332 -4.065 -4.559 306 HD21 ASN 35 1HD2 ASN 35 13.737 -3.604 -4.292 307 HD22 ASN 35 2HD2 ASN 35 13.911 -2.506 -5.614 308 H ALA 36 H ALA 36 8.418 -2.200 -2.562 309 HA ALA 36 HA ALA 36 7.141 -0.371 -3.037 310 HB1 ALA 36 1HB ALA 36 8.071 1.762 -2.510 311 HB2 ALA 36 2HB ALA 36 9.713 1.185 -2.780 312 HB3 ALA 36 3HB ALA 36 8.784 0.591 -1.404 313 H LYS 37 H LYS 37 8.521 2.059 -4.398 314 HA LYS 37 HA LYS 37 9.276 2.686 -6.507 315 HB2 LYS 37 2HB LYS 37 9.849 0.147 -6.845 316 HB3 LYS 37 1HB LYS 37 8.336 0.128 -7.753 317 HG2 LYS 37 2HG LYS 37 9.529 0.763 -9.511 318 HG3 LYS 37 1HG LYS 37 9.663 2.342 -8.737 319 HD2 LYS 37 2HD LYS 37 11.838 2.053 -8.273 320 HD3 LYS 37 1HD LYS 37 11.594 0.388 -7.742 321 HE2 LYS 37 2HE LYS 37 13.061 0.580 -9.729 322 HE3 LYS 37 1HE LYS 37 11.621 -0.395 -10.016 323 HZ1 LYS 37 3HZ LYS 37 10.764 1.122 -11.440 324 HZ2 LYS 37 1HZ LYS 37 12.398 1.492 -11.672 325 HZ3 LYS 37 2HZ LYS 37 11.451 2.449 -10.647 326 H THR 38 H THR 38 6.280 1.113 -5.771 327 HA THR 38 HA THR 38 4.872 3.151 -7.310 328 HB THR 38 HB THR 38 3.280 1.438 -8.182 329 HG1 THR 38 1HG THR 38 5.196 -0.309 -7.064 330 HG21 THR 38 3HG2 THR 38 4.799 2.122 -9.810 331 HG22 THR 38 1HG2 THR 38 4.889 0.361 -9.831 332 HG23 THR 38 2HG2 THR 38 6.147 1.298 -9.027 333 H VAL 39 H VAL 39 4.481 4.019 -5.208 334 HA VAL 39 HA VAL 39 3.485 2.889 -2.954 335 HB VAL 39 HB VAL 39 3.870 5.294 -3.149 336 HG11 VAL 39 1HG1 VAL 39 1.213 5.576 -4.505 337 HG12 VAL 39 2HG1 VAL 39 2.707 5.414 -5.428 338 HG13 VAL 39 3HG1 VAL 39 2.498 6.773 -4.323 339 HG21 VAL 39 3HG2 VAL 39 2.451 5.810 -1.468 340 HG22 VAL 39 1HG2 VAL 39 2.068 4.091 -1.553 341 HG23 VAL 39 2HG2 VAL 39 1.028 5.268 -2.355 342 H GLU 40 H GLU 40 1.488 3.836 -5.756 343 HA GLU 40 HA GLU 40 -0.961 2.978 -4.675 344 HB2 GLU 40 2HB GLU 40 -0.007 3.464 -7.488 345 HB3 GLU 40 1HB GLU 40 -1.604 2.791 -7.190 346 HG2 GLU 40 2HG GLU 40 -0.540 5.446 -6.283 347 HG3 GLU 40 1HG GLU 40 -1.812 5.143 -7.465 348 H GLY 41 H GLY 41 1.488 1.310 -6.614 349 HA2 GLY 41 2HA GLY 41 0.021 -1.112 -6.892 350 HA3 GLY 41 1HA GLY 41 1.756 -0.922 -7.105 351 H VAL 42 H VAL 42 2.574 -0.090 -4.620 352 HA VAL 42 HA VAL 42 3.000 -2.360 -3.168 353 HB VAL 42 HB VAL 42 2.562 0.310 -1.832 354 HG11 VAL 42 1HG1 VAL 42 3.747 -0.498 -0.090 355 HG12 VAL 42 2HG1 VAL 42 4.809 -1.459 -1.123 356 HG13 VAL 42 3HG1 VAL 42 3.196 -2.053 -0.716 357 HG21 VAL 42 3HG2 VAL 42 5.197 0.323 -2.340 358 HG22 VAL 42 1HG2 VAL 42 4.007 1.079 -3.398 359 HG23 VAL 42 2HG2 VAL 42 4.625 -0.527 -3.775 360 H TRP 43 H TRP 43 0.275 -0.127 -2.895 361 HA TRP 43 HA TRP 43 -0.972 -1.601 -0.764 362 HD1 TRP 43 HD TRP 43 -4.663 0.060 -2.389 363 HE1 TRP 43 1HE TRP 43 -6.344 -0.199 -0.458 364 HE3 TRP 43 3HE TRP 43 -1.385 -0.064 1.535 365 HZ2 TRP 43 2HZ TRP 43 -6.290 -0.427 2.354 366 HZ3 TRP 43 3HZ TRP 43 -2.282 -0.304 3.812 367 HH2 TRP 43 HH TRP 43 -4.684 -0.482 4.213 368 HB2 TRP 43 2HB TRP 43 -1.266 0.844 -1.014 369 HB3 TRP 43 1HB TRP 43 -2.121 0.572 -2.529 370 H THR 44 H THR 44 -1.189 -1.516 -4.271 371 HA THR 44 HA THR 44 -3.629 -3.056 -4.351 372 HB THR 44 HB THR 44 -1.746 -2.766 -6.676 373 HG1 THR 44 1HG THR 44 -1.861 -0.691 -6.127 374 HG21 THR 44 3HG2 THR 44 -3.468 -3.766 -7.665 375 HG22 THR 44 1HG2 THR 44 -4.272 -2.201 -7.534 376 HG23 THR 44 2HG2 THR 44 -4.555 -3.441 -6.313 377 H LEU 45 H LEU 45 -0.215 -3.711 -5.057 378 HA LEU 45 HA LEU 45 -0.451 -6.402 -5.735 379 HB2 LEU 45 2HB LEU 45 1.869 -5.219 -4.217 380 HB3 LEU 45 1HB LEU 45 1.893 -6.586 -5.316 381 HD11 LEU 45 1HD1 LEU 45 2.884 -3.329 -5.012 382 HD12 LEU 45 2HD1 LEU 45 3.270 -3.170 -6.726 383 HD13 LEU 45 3HD1 LEU 45 3.909 -4.528 -5.800 384 HD21 LEU 45 3HD2 LEU 45 1.677 -4.928 -8.404 385 HD22 LEU 45 1HD2 LEU 45 1.548 -6.431 -7.490 386 HD23 LEU 45 2HD2 LEU 45 3.118 -5.656 -7.691 387 H LYS 46 H LYS 46 -0.297 -4.790 -2.636 388 HA LYS 46 HA LYS 46 0.063 -7.103 -1.037 389 HB2 LYS 46 2HB LYS 46 0.588 -5.027 -0.034 390 HB3 LYS 46 1HB LYS 46 -0.945 -4.313 -0.506 391 HG2 LYS 46 2HG LYS 46 -2.034 -5.981 1.074 392 HG3 LYS 46 1HG LYS 46 -0.409 -6.283 1.690 393 HD2 LYS 46 2HD LYS 46 -0.279 -4.254 2.709 394 HD3 LYS 46 1HD LYS 46 -1.241 -3.453 1.466 395 HE2 LYS 46 2HE LYS 46 -2.451 -5.398 3.408 396 HE3 LYS 46 1HE LYS 46 -2.268 -3.687 3.797 397 HZ1 LYS 46 3HZ LYS 46 -3.447 -3.439 1.476 398 HZ2 LYS 46 1HZ LYS 46 -4.338 -3.671 2.895 399 HZ3 LYS 46 2HZ LYS 46 -4.041 -4.975 1.860 400 H ASP 47 H ASP 47 -2.839 -5.095 -1.560 401 HA ASP 47 HA ASP 47 -4.648 -6.833 -0.325 402 HB2 ASP 47 2HB ASP 47 -4.791 -4.358 -1.597 403 HB3 ASP 47 1HB ASP 47 -5.838 -5.396 -2.560 404 H GLU 48 H GLU 48 -3.335 -6.776 -3.560 405 HA GLU 48 HA GLU 48 -5.167 -8.702 -4.633 406 HB2 GLU 48 2HB GLU 48 -3.747 -6.914 -5.878 407 HB3 GLU 48 1HB GLU 48 -2.464 -8.114 -5.798 408 HG2 GLU 48 2HG GLU 48 -4.151 -9.717 -6.858 409 HG3 GLU 48 1HG GLU 48 -5.086 -8.270 -7.235 410 H ILE 49 H ILE 49 -1.703 -8.830 -3.739 411 HA ILE 49 HA ILE 49 -1.386 -11.561 -4.207 412 HB ILE 49 HB ILE 49 0.524 -10.041 -3.860 413 HG12 ILE 49 2HG1 ILE 49 1.890 -11.646 -2.608 414 HG13 ILE 49 1HG1 ILE 49 0.437 -12.400 -1.972 415 HG21 ILE 49 1HG2 ILE 49 -0.607 -8.984 -1.779 416 HG22 ILE 49 2HG2 ILE 49 1.151 -9.135 -1.849 417 HG23 ILE 49 3HG2 ILE 49 0.198 -10.289 -0.908 418 HD11 ILE 49 3HD1 ILE 49 -0.109 -13.348 -4.005 419 HD12 ILE 49 1HD1 ILE 49 1.648 -13.483 -3.965 420 HD13 ILE 49 2HD1 ILE 49 0.883 -12.214 -4.917 421 H LEU 50 H LEU 50 -2.932 -9.921 -1.585 422 HA LEU 50 HA LEU 50 -2.817 -12.188 0.194 423 HG LEU 50 HG LEU 50 -4.338 -11.946 2.200 424 HB2 LEU 50 2HB LEU 50 -3.144 -9.624 0.738 425 HB3 LEU 50 1HB LEU 50 -4.842 -10.015 0.505 426 HD11 LEU 50 1HD1 LEU 50 -2.115 -11.913 2.657 427 HD12 LEU 50 2HD1 LEU 50 -2.663 -10.783 3.897 428 HD13 LEU 50 3HD1 LEU 50 -1.978 -10.176 2.391 429 HD21 LEU 50 3HD2 LEU 50 -5.141 -10.584 3.958 430 HD22 LEU 50 1HD2 LEU 50 -5.825 -9.919 2.473 431 HD23 LEU 50 2HD2 LEU 50 -4.451 -9.128 3.242 432 H THR 51 H THR 51 -5.004 -10.836 -2.175 433 HA THR 51 HA THR 51 -7.307 -12.312 -1.610 434 HB THR 51 HB THR 51 -6.232 -11.233 -4.216 435 HG1 THR 51 1HG THR 51 -6.828 -9.528 -3.090 436 HG21 THR 51 3HG2 THR 51 -7.764 -12.911 -4.891 437 HG22 THR 51 1HG2 THR 51 -8.593 -11.358 -5.016 438 HG23 THR 51 2HG2 THR 51 -8.925 -12.429 -3.658 439 H PHE 52 H PHE 52 -4.391 -13.192 -3.387 440 HA PHE 52 HA PHE 52 -5.477 -15.636 -4.407 441 HD1 PHE 52 1HD PHE 52 -1.423 -14.443 -3.089 442 HD2 PHE 52 2HD PHE 52 -2.723 -17.561 -5.669 443 HE1 PHE 52 1HE PHE 52 0.576 -15.745 -2.496 444 HE2 PHE 52 2HE PHE 52 -0.729 -18.879 -5.085 445 HZ PHE 52 HZ PHE 52 0.924 -17.972 -3.500 446 HB2 PHE 52 2HB PHE 52 -3.725 -15.395 -5.772 447 HB3 PHE 52 1HB PHE 52 -3.133 -14.060 -4.800 448 H THR 53 H THR 53 -6.243 -15.926 -1.970 449 HA THR 53 HA THR 53 -5.264 -18.290 -1.017 450 HB THR 53 HB THR 53 -3.721 -15.953 0.025 451 HG1 THR 53 1HG THR 53 -3.092 -18.707 -0.201 452 HG21 THR 53 3HG2 THR 53 -4.558 -16.455 2.119 453 HG22 THR 53 1HG2 THR 53 -3.107 -17.454 2.024 454 HG23 THR 53 2HG2 THR 53 -4.694 -18.179 1.766 455 H VAL 54 H VAL 54 -5.980 -15.199 0.620 456 HA VAL 54 HA VAL 54 -7.925 -16.450 2.294 457 HB VAL 54 HB VAL 54 -7.688 -13.483 1.968 458 HG11 VAL 54 1HG1 VAL 54 -8.506 -15.357 4.158 459 HG12 VAL 54 2HG1 VAL 54 -9.422 -14.030 3.434 460 HG13 VAL 54 3HG1 VAL 54 -8.056 -13.688 4.501 461 HG21 VAL 54 3HG2 VAL 54 -5.765 -15.317 3.375 462 HG22 VAL 54 1HG2 VAL 54 -5.937 -13.615 3.804 463 HG23 VAL 54 2HG2 VAL 54 -5.416 -14.066 2.180 464 H THR 55 H THR 55 -9.237 -17.297 0.510 465 HA THR 55 HA THR 55 -11.661 -16.070 0.209 466 HB THR 55 HB THR 55 -11.152 -15.597 -2.452 467 HG1 THR 55 1HG THR 55 -8.840 -15.712 -1.776 468 HG21 THR 55 3HG2 THR 55 -11.552 -13.890 -0.092 469 HG22 THR 55 1HG2 THR 55 -12.416 -13.941 -1.626 470 HG23 THR 55 2HG2 THR 55 -10.867 -13.104 -1.517 471 H GLU 56 H GLU 56 -9.492 -17.516 -2.225 472 HA GLU 56 HA GLU 56 -11.473 -19.653 -2.603 473 HB2 GLU 56 2HB GLU 56 -10.291 -18.106 -4.475 474 HB3 GLU 56 1HB GLU 56 -9.166 -19.455 -4.438 475 HG2 GLU 56 2HG GLU 56 -12.112 -19.858 -4.747 476 HG3 GLU 56 1HG GLU 56 -11.060 -19.556 -6.123 Start of MODEL 10 1 HA THR 1 HA THR 1 12.169 13.861 11.710 2 HB THR 1 HB THR 1 10.928 11.570 11.613 3 HG1 THR 1 1HG THR 1 9.705 11.994 9.761 4 H1 THR 1 1HT THR 1 11.591 15.115 9.644 5 H2 THR 1 2HT THR 1 10.542 15.267 10.994 6 H3 THR 1 3HT THR 1 10.108 14.256 9.682 7 HG21 THR 1 1HG2 THR 1 10.048 14.082 12.884 8 HG22 THR 1 2HG2 THR 1 10.473 12.524 13.595 9 HG23 THR 1 3HG2 THR 1 8.892 12.749 12.862 10 H THR 2 H THR 2 11.245 13.223 8.404 11 HA THR 2 HA THR 2 13.860 12.029 7.921 12 HB THR 2 HB THR 2 11.870 10.537 6.456 13 HG1 THR 2 1HG THR 2 10.510 10.698 8.163 14 HG21 THR 2 3HG2 THR 2 14.187 9.801 6.791 15 HG22 THR 2 1HG2 THR 2 13.013 8.613 7.343 16 HG23 THR 2 2HG2 THR 2 13.861 9.622 8.513 17 H TYR 3 H TYR 3 14.641 12.341 5.866 18 HA TYR 3 HA TYR 3 13.102 14.239 4.240 19 HD1 TYR 3 1HD TYR 3 16.033 11.764 3.190 20 HD2 TYR 3 2HD TYR 3 17.093 14.824 5.960 21 HE1 TYR 3 1HE TYR 3 17.966 10.435 3.918 22 HE2 TYR 3 2HE TYR 3 19.026 13.495 6.687 23 HH TYR 3 HH TYR 3 20.480 11.697 5.785 24 HB2 TYR 3 2HB TYR 3 15.372 14.446 3.025 25 HB3 TYR 3 1HB TYR 3 15.230 15.128 4.643 26 H LYS 4 H LYS 4 12.373 11.477 4.224 27 HA LYS 4 HA LYS 4 12.587 10.993 1.375 28 HB2 LYS 4 2HB LYS 4 14.467 9.757 2.684 29 HB3 LYS 4 1HB LYS 4 13.171 8.670 3.181 30 HG2 LYS 4 2HG LYS 4 13.383 9.251 0.295 31 HG3 LYS 4 1HG LYS 4 14.663 8.269 1.012 32 HD2 LYS 4 2HD LYS 4 13.318 6.496 1.236 33 HD3 LYS 4 1HD LYS 4 11.996 7.472 1.874 34 HE2 LYS 4 2HE LYS 4 11.642 8.245 -0.535 35 HE3 LYS 4 1HE LYS 4 12.693 6.903 -0.991 36 HZ1 LYS 4 3HZ LYS 4 10.052 6.690 -0.743 37 HZ2 LYS 4 1HZ LYS 4 10.523 6.242 0.815 38 HZ3 LYS 4 2HZ LYS 4 11.112 5.398 -0.526 39 H LEU 5 H LEU 5 10.356 11.548 1.468 40 HA LEU 5 HA LEU 5 8.673 9.253 2.076 41 HG LEU 5 HG LEU 5 8.947 9.289 4.415 42 HB2 LEU 5 2HB LEU 5 8.279 11.966 3.341 43 HB3 LEU 5 1HB LEU 5 7.014 10.751 3.251 44 HD11 LEU 5 1HD1 LEU 5 10.667 10.666 4.876 45 HD12 LEU 5 2HD1 LEU 5 9.667 11.093 6.263 46 HD13 LEU 5 3HD1 LEU 5 9.659 12.116 4.831 47 HD21 LEU 5 3HD2 LEU 5 6.927 11.121 5.681 48 HD22 LEU 5 1HD2 LEU 5 7.841 9.916 6.583 49 HD23 LEU 5 2HD2 LEU 5 6.753 9.410 5.303 50 H ILE 6 H ILE 6 6.376 9.677 1.309 51 HA ILE 6 HA ILE 6 6.192 11.689 -0.798 52 HB ILE 6 HB ILE 6 5.174 9.791 -2.285 53 HG12 ILE 6 2HG1 ILE 6 7.272 7.992 -1.352 54 HG13 ILE 6 1HG1 ILE 6 6.024 8.246 -0.138 55 HG21 ILE 6 1HG2 ILE 6 8.159 10.047 -1.970 56 HG22 ILE 6 2HG2 ILE 6 7.130 11.211 -2.806 57 HG23 ILE 6 3HG2 ILE 6 7.285 9.559 -3.422 58 HD11 ILE 6 3HD1 ILE 6 4.741 6.791 -1.185 59 HD12 ILE 6 1HD1 ILE 6 5.968 6.588 -2.435 60 HD13 ILE 6 2HD1 ILE 6 4.726 7.825 -2.609 61 H LEU 7 H LEU 7 4.564 9.012 0.878 62 HA LEU 7 HA LEU 7 2.302 10.622 1.480 63 HG LEU 7 HG LEU 7 0.086 8.498 1.016 64 HB2 LEU 7 2HB LEU 7 1.732 10.219 -0.826 65 HB3 LEU 7 1HB LEU 7 2.001 8.496 -0.639 66 HD11 LEU 7 1HD1 LEU 7 -0.405 10.588 1.716 67 HD12 LEU 7 2HD1 LEU 7 -1.488 10.541 0.324 68 HD13 LEU 7 3HD1 LEU 7 0.083 11.327 0.194 69 HD21 LEU 7 3HD2 LEU 7 -1.331 7.929 -0.646 70 HD22 LEU 7 1HD2 LEU 7 0.115 8.099 -1.638 71 HD23 LEU 7 2HD2 LEU 7 -1.053 9.420 -1.542 72 H ASN 8 H ASN 8 2.393 7.151 0.734 73 HA ASN 8 HA ASN 8 2.749 6.398 3.475 74 HB2 ASN 8 2HB ASN 8 0.508 5.249 3.640 75 HB3 ASN 8 1HB ASN 8 0.449 7.009 3.706 76 HD21 ASN 8 1HD2 ASN 8 -1.554 7.340 2.930 77 HD22 ASN 8 2HD2 ASN 8 -2.073 6.890 1.345 78 H LEU 9 H LEU 9 4.106 5.777 1.112 79 HA LEU 9 HA LEU 9 3.278 3.201 0.156 80 HG LEU 9 HG LEU 9 5.247 2.197 -1.341 81 HB2 LEU 9 2HB LEU 9 4.363 4.641 -1.373 82 HB3 LEU 9 1HB LEU 9 5.678 4.960 -0.255 83 HD11 LEU 9 1HD1 LEU 9 5.796 4.525 -2.886 84 HD12 LEU 9 2HD1 LEU 9 5.712 2.842 -3.409 85 HD13 LEU 9 3HD1 LEU 9 7.241 3.514 -2.844 86 HD21 LEU 9 3HD2 LEU 9 7.137 3.485 0.361 87 HD22 LEU 9 1HD2 LEU 9 7.961 2.984 -1.116 88 HD23 LEU 9 2HD2 LEU 9 7.081 1.800 -0.150 89 H LYS 10 H LYS 10 5.915 4.451 2.170 90 HA LYS 10 HA LYS 10 7.251 2.086 2.698 91 HB2 LYS 10 2HB LYS 10 6.872 4.585 4.336 92 HB3 LYS 10 1HB LYS 10 7.857 3.244 4.910 93 HG2 LYS 10 2HG LYS 10 9.480 3.572 3.311 94 HG3 LYS 10 1HG LYS 10 8.376 4.400 2.210 95 HD2 LYS 10 2HD LYS 10 8.912 5.670 4.839 96 HD3 LYS 10 1HD LYS 10 10.204 5.703 3.638 97 HE2 LYS 10 2HE LYS 10 9.028 7.667 3.244 98 HE3 LYS 10 1HE LYS 10 8.405 6.564 2.022 99 HZ1 LYS 10 3HZ LYS 10 6.381 6.509 2.977 100 HZ2 LYS 10 1HZ LYS 10 6.847 8.010 3.599 101 HZ3 LYS 10 2HZ LYS 10 6.978 6.624 4.554 102 H GLN 11 H GLN 11 4.299 3.369 4.061 103 HA GLN 11 HA GLN 11 4.157 1.291 6.084 104 HB2 GLN 11 2HB GLN 11 2.737 3.806 5.506 105 HB3 GLN 11 1HB GLN 11 1.717 2.521 6.136 106 HG2 GLN 11 2HG GLN 11 2.526 3.914 7.933 107 HG3 GLN 11 1HG GLN 11 3.205 2.292 8.065 108 HE21 GLN 11 1HE2 GLN 11 3.884 5.543 8.120 109 HE22 GLN 11 2HE2 GLN 11 5.593 5.466 7.904 110 H ALA 12 H ALA 12 2.779 2.078 2.972 111 HA ALA 12 HA ALA 12 0.639 0.274 2.949 112 HB1 ALA 12 1HB ALA 12 0.508 1.685 1.161 113 HB2 ALA 12 2HB ALA 12 1.250 0.298 0.365 114 HB3 ALA 12 3HB ALA 12 2.247 1.660 0.873 115 H LYS 13 H LYS 13 4.061 -0.132 2.274 116 HA LYS 13 HA LYS 13 3.686 -2.895 1.501 117 HB2 LYS 13 2HB LYS 13 5.803 -2.867 0.675 118 HB3 LYS 13 1HB LYS 13 5.486 -1.140 0.652 119 HG2 LYS 13 2HG LYS 13 6.667 -2.016 3.165 120 HG3 LYS 13 1HG LYS 13 7.669 -2.377 1.762 121 HD2 LYS 13 2HD LYS 13 7.363 -0.021 1.022 122 HD3 LYS 13 1HD LYS 13 6.539 0.298 2.549 123 HE2 LYS 13 2HE LYS 13 8.535 0.749 3.429 124 HE3 LYS 13 1HE LYS 13 8.909 -0.966 3.278 125 HZ1 LYS 13 3HZ LYS 13 9.549 -0.288 0.872 126 HZ2 LYS 13 1HZ LYS 13 10.634 -0.006 2.140 127 HZ3 LYS 13 2HZ LYS 13 9.694 1.262 1.532 128 H GLU 14 H GLU 14 4.879 -1.084 4.294 129 HA GLU 14 HA GLU 14 5.932 -3.225 5.750 130 HB2 GLU 14 2HB GLU 14 6.105 -1.764 7.491 131 HB3 GLU 14 1HB GLU 14 5.767 -0.591 6.230 132 HG2 GLU 14 2HG GLU 14 3.432 -0.535 6.877 133 HG3 GLU 14 1HG GLU 14 3.722 -1.773 8.097 134 H GLU 15 H GLU 15 2.642 -1.898 5.689 135 HA GLU 15 HA GLU 15 1.490 -3.812 7.418 136 HB2 GLU 15 2HB GLU 15 0.412 -1.649 6.779 137 HB3 GLU 15 1HB GLU 15 0.170 -2.289 5.159 138 HG2 GLU 15 2HG GLU 15 -1.178 -4.129 6.177 139 HG3 GLU 15 1HG GLU 15 -1.066 -3.276 7.716 140 H ALA 16 H ALA 16 2.198 -3.667 4.008 141 HA ALA 16 HA ALA 16 0.725 -5.907 3.166 142 HB1 ALA 16 1HB ALA 16 3.302 -4.965 1.937 143 HB2 ALA 16 2HB ALA 16 1.770 -4.128 1.705 144 HB3 ALA 16 3HB ALA 16 1.958 -5.790 1.154 145 H ILE 17 H ILE 17 3.996 -5.515 4.459 146 HA ILE 17 HA ILE 17 4.967 -8.100 4.032 147 HB ILE 17 HB ILE 17 5.503 -6.346 6.442 148 HG12 ILE 17 2HG1 ILE 17 6.081 -5.076 4.509 149 HG13 ILE 17 1HG1 ILE 17 7.585 -5.728 5.143 150 HG21 ILE 17 1HG2 ILE 17 6.321 -8.448 7.007 151 HG22 ILE 17 2HG2 ILE 17 7.731 -7.630 6.332 152 HG23 ILE 17 3HG2 ILE 17 6.839 -8.796 5.357 153 HD11 ILE 17 3HD1 ILE 17 6.043 -6.921 2.854 154 HD12 ILE 17 1HD1 ILE 17 7.635 -7.410 3.436 155 HD13 ILE 17 2HD1 ILE 17 7.416 -5.828 2.686 156 H LYS 18 H LYS 18 3.190 -6.734 6.771 157 HA LYS 18 HA LYS 18 2.961 -9.091 8.268 158 HB2 LYS 18 2HB LYS 18 1.969 -7.726 9.733 159 HB3 LYS 18 1HB LYS 18 2.202 -6.436 8.570 160 HG2 LYS 18 2HG LYS 18 0.004 -6.550 7.821 161 HG3 LYS 18 1HG LYS 18 -0.235 -8.169 8.485 162 HD2 LYS 18 2HD LYS 18 0.481 -6.180 10.497 163 HD3 LYS 18 1HD LYS 18 -1.031 -5.818 9.662 164 HE2 LYS 18 2HE LYS 18 -1.359 -8.453 10.133 165 HE3 LYS 18 1HE LYS 18 -0.361 -8.011 11.517 166 HZ1 LYS 18 3HZ LYS 18 -3.001 -7.779 11.471 167 HZ2 LYS 18 1HZ LYS 18 -2.579 -6.230 10.944 168 HZ3 LYS 18 2HZ LYS 18 -2.007 -6.805 12.428 169 H GLU 19 H GLU 19 1.177 -7.850 5.547 170 HA GLU 19 HA GLU 19 -1.065 -9.574 5.703 171 HB2 GLU 19 2HB GLU 19 -0.040 -7.564 3.922 172 HB3 GLU 19 1HB GLU 19 -0.530 -8.966 2.984 173 HG2 GLU 19 2HG GLU 19 -2.402 -7.554 3.071 174 HG3 GLU 19 1HG GLU 19 -2.733 -8.860 4.208 175 H LEU 20 H LEU 20 1.913 -9.760 3.749 176 HA LEU 20 HA LEU 20 1.276 -12.356 2.754 177 HG LEU 20 HG LEU 20 2.750 -13.320 1.307 178 HB2 LEU 20 2HB LEU 20 2.958 -10.472 1.893 179 HB3 LEU 20 1HB LEU 20 4.101 -11.419 2.826 180 HD11 LEU 20 1HD1 LEU 20 2.499 -12.589 -0.854 181 HD12 LEU 20 2HD1 LEU 20 3.564 -11.203 -0.626 182 HD13 LEU 20 3HD1 LEU 20 1.938 -11.188 0.058 183 HD21 LEU 20 3HD2 LEU 20 5.341 -12.561 1.825 184 HD22 LEU 20 1HD2 LEU 20 5.202 -12.330 0.083 185 HD23 LEU 20 2HD2 LEU 20 4.844 -13.902 0.793 186 H VAL 21 H VAL 21 3.067 -11.118 5.500 187 HA VAL 21 HA VAL 21 4.383 -13.515 6.215 188 HB VAL 21 HB VAL 21 3.533 -11.163 7.911 189 HG11 VAL 21 1HG1 VAL 21 4.796 -13.728 8.656 190 HG12 VAL 21 2HG1 VAL 21 3.804 -12.628 9.614 191 HG13 VAL 21 3HG1 VAL 21 5.511 -12.270 9.345 192 HG21 VAL 21 3HG2 VAL 21 6.369 -11.781 7.346 193 HG22 VAL 21 1HG2 VAL 21 5.549 -10.225 7.476 194 HG23 VAL 21 2HG2 VAL 21 5.403 -11.177 6.000 195 H ASP 22 H ASP 22 1.157 -12.308 6.728 196 HA ASP 22 HA ASP 22 0.517 -14.427 8.588 197 HB2 ASP 22 2HB ASP 22 -0.566 -11.893 8.056 198 HB3 ASP 22 1HB ASP 22 -1.798 -13.035 7.532 199 H ALA 23 H ALA 23 -0.057 -13.573 5.215 200 HA ALA 23 HA ALA 23 -1.776 -15.820 4.714 201 HB1 ALA 23 1HB ALA 23 -0.384 -13.866 2.901 202 HB2 ALA 23 2HB ALA 23 -2.095 -13.933 3.324 203 HB3 ALA 23 3HB ALA 23 -1.389 -15.185 2.301 204 H GLY 24 H GLY 24 1.580 -15.407 5.018 205 HA2 GLY 24 2HA GLY 24 3.417 -16.667 4.418 206 HA3 GLY 24 1HA GLY 24 2.381 -17.968 4.992 207 H ILE 25 H ILE 25 3.646 -16.318 2.173 208 HA ILE 25 HA ILE 25 3.292 -18.726 0.617 209 HB ILE 25 HB ILE 25 2.381 -16.436 -0.971 210 HG12 ILE 25 2HG1 ILE 25 -0.001 -16.700 -0.074 211 HG13 ILE 25 1HG1 ILE 25 0.727 -17.423 1.353 212 HG21 ILE 25 1HG2 ILE 25 1.986 -19.325 -0.763 213 HG22 ILE 25 2HG2 ILE 25 2.019 -18.280 -2.183 214 HG23 ILE 25 3HG2 ILE 25 0.540 -18.430 -1.234 215 HD11 ILE 25 3HD1 ILE 25 1.842 -14.833 0.527 216 HD12 ILE 25 1HD1 ILE 25 1.460 -15.447 2.135 217 HD13 ILE 25 2HD1 ILE 25 0.177 -14.810 1.105 218 H ALA 26 H ALA 26 3.901 -17.761 -1.898 219 HA ALA 26 HA ALA 26 6.626 -17.639 -1.932 220 HB1 ALA 26 1HB ALA 26 4.678 -16.465 -3.903 221 HB2 ALA 26 2HB ALA 26 5.458 -18.044 -3.964 222 HB3 ALA 26 3HB ALA 26 6.415 -16.579 -4.197 223 H GLU 27 H GLU 27 7.628 -16.308 -0.513 224 HA GLU 27 HA GLU 27 7.058 -13.748 0.232 225 HB2 GLU 27 2HB GLU 27 9.282 -15.477 0.439 226 HB3 GLU 27 1HB GLU 27 9.903 -13.937 -0.141 227 HG2 GLU 27 2HG GLU 27 8.263 -13.106 1.841 228 HG3 GLU 27 1HG GLU 27 8.787 -14.666 2.472 229 H LYS 28 H LYS 28 8.259 -14.797 -2.825 230 HA LYS 28 HA LYS 28 9.545 -12.695 -3.967 231 HB2 LYS 28 2HB LYS 28 7.633 -14.710 -4.989 232 HB3 LYS 28 1HB LYS 28 7.816 -13.285 -5.996 233 HG2 LYS 28 2HG LYS 28 9.288 -15.260 -6.545 234 HG3 LYS 28 1HG LYS 28 10.099 -13.702 -6.366 235 HD2 LYS 28 2HD LYS 28 9.885 -15.272 -3.890 236 HD3 LYS 28 1HD LYS 28 10.877 -16.011 -5.148 237 HE2 LYS 28 2HE LYS 28 11.389 -13.161 -4.810 238 HE3 LYS 28 1HE LYS 28 11.702 -14.096 -3.349 239 HZ1 LYS 28 3HZ LYS 28 12.929 -14.422 -6.024 240 HZ2 LYS 28 1HZ LYS 28 13.026 -15.626 -4.839 241 HZ3 LYS 28 2HZ LYS 28 13.698 -14.101 -4.551 242 H TYR 29 H TYR 29 6.024 -12.972 -3.611 243 HA TYR 29 HA TYR 29 5.358 -10.528 -4.799 244 HD1 TYR 29 2HD TYR 29 3.500 -11.340 -6.273 245 HD2 TYR 29 1HD TYR 29 3.528 -14.206 -3.128 246 HE1 TYR 29 2HE TYR 29 2.902 -13.102 -7.881 247 HE2 TYR 29 1HE TYR 29 2.934 -15.975 -4.728 248 HH TYR 29 HH TYR 29 1.899 -15.297 -7.919 249 HB2 TYR 29 2HB TYR 29 3.868 -11.976 -2.608 250 HB3 TYR 29 1HB TYR 29 3.199 -10.762 -3.700 251 H ILE 30 H ILE 30 6.387 -11.368 -1.572 252 HA ILE 30 HA ILE 30 5.742 -8.969 -0.264 253 HB ILE 30 HB ILE 30 6.837 -11.325 0.547 254 HG12 ILE 30 2HG1 ILE 30 7.046 -8.720 2.066 255 HG13 ILE 30 1HG1 ILE 30 5.561 -9.648 1.875 256 HG21 ILE 30 1HG2 ILE 30 9.071 -10.404 -0.371 257 HG22 ILE 30 2HG2 ILE 30 9.050 -11.162 1.221 258 HG23 ILE 30 3HG2 ILE 30 9.068 -9.403 1.081 259 HD11 ILE 30 3HD1 ILE 30 8.042 -10.404 3.381 260 HD12 ILE 30 1HD1 ILE 30 6.785 -11.570 2.968 261 HD13 ILE 30 2HD1 ILE 30 6.403 -10.189 3.997 262 H LYS 31 H LYS 31 8.234 -9.820 -2.516 263 HA LYS 31 HA LYS 31 9.942 -7.598 -1.924 264 HB2 LYS 31 2HB LYS 31 10.884 -9.616 -2.912 265 HB3 LYS 31 1HB LYS 31 9.860 -9.434 -4.329 266 HG2 LYS 31 2HG LYS 31 11.732 -8.506 -5.178 267 HG3 LYS 31 1HG LYS 31 11.089 -7.058 -4.393 268 HD2 LYS 31 2HD LYS 31 13.301 -7.109 -3.679 269 HD3 LYS 31 1HD LYS 31 12.434 -7.858 -2.338 270 HE2 LYS 31 2HE LYS 31 13.000 -9.995 -3.971 271 HE3 LYS 31 1HE LYS 31 14.433 -8.981 -4.145 272 HZ1 LYS 31 3HZ LYS 31 13.292 -9.828 -1.537 273 HZ2 LYS 31 1HZ LYS 31 14.748 -9.002 -1.787 274 HZ3 LYS 31 2HZ LYS 31 14.582 -10.601 -2.308 275 H LEU 32 H LEU 32 7.335 -8.250 -4.244 276 HA LEU 32 HA LEU 32 7.729 -5.990 -5.862 277 HG LEU 32 HG LEU 32 5.661 -8.817 -4.942 278 HB2 LEU 32 2HB LEU 32 4.899 -6.558 -5.425 279 HB3 LEU 32 1HB LEU 32 5.831 -6.558 -6.914 280 HD11 LEU 32 1HD1 LEU 32 3.799 -9.397 -5.981 281 HD12 LEU 32 2HD1 LEU 32 4.721 -9.570 -7.475 282 HD13 LEU 32 3HD1 LEU 32 3.952 -8.032 -7.088 283 HD21 LEU 32 3HD2 LEU 32 6.815 -9.071 -7.674 284 HD22 LEU 32 1HD2 LEU 32 7.129 -10.029 -6.227 285 HD23 LEU 32 2HD2 LEU 32 7.812 -8.411 -6.379 286 H ILE 33 H ILE 33 6.217 -6.405 -2.759 287 HA ILE 33 HA ILE 33 5.321 -3.630 -2.685 288 HB ILE 33 HB ILE 33 4.689 -4.351 -0.257 289 HG12 ILE 33 2HG1 ILE 33 4.852 -7.032 -1.644 290 HG13 ILE 33 1HG1 ILE 33 5.918 -6.484 -0.356 291 HG21 ILE 33 1HG2 ILE 33 3.365 -4.470 -2.785 292 HG22 ILE 33 2HG2 ILE 33 2.711 -4.076 -1.195 293 HG23 ILE 33 3HG2 ILE 33 2.757 -5.755 -1.739 294 HD11 ILE 33 3HD1 ILE 33 4.092 -8.013 0.347 295 HD12 ILE 33 1HD1 ILE 33 2.957 -6.723 -0.053 296 HD13 ILE 33 2HD1 ILE 33 4.166 -6.476 1.207 297 H ALA 34 H ALA 34 7.525 -5.795 -0.942 298 HA ALA 34 HA ALA 34 8.503 -3.954 0.902 299 HB1 ALA 34 1HB ALA 34 9.990 -6.269 -0.337 300 HB2 ALA 34 2HB ALA 34 8.907 -6.369 1.053 301 HB3 ALA 34 3HB ALA 34 10.406 -5.446 1.166 302 H ASN 35 H ASN 35 9.248 -4.441 -2.467 303 HA ASN 35 HA ASN 35 11.601 -2.763 -2.388 304 HB2 ASN 35 2HB ASN 35 11.646 -4.621 -3.911 305 HB3 ASN 35 1HB ASN 35 10.133 -4.112 -4.661 306 HD21 ASN 35 1HD2 ASN 35 10.949 -3.917 -6.703 307 HD22 ASN 35 2HD2 ASN 35 12.090 -2.703 -7.159 308 H ALA 36 H ALA 36 8.237 -2.322 -2.717 309 HA ALA 36 HA ALA 36 6.933 -0.509 -3.165 310 HB1 ALA 36 1HB ALA 36 7.782 1.630 -2.557 311 HB2 ALA 36 2HB ALA 36 9.449 1.111 -2.808 312 HB3 ALA 36 3HB ALA 36 8.511 0.449 -1.469 313 H LYS 37 H LYS 37 8.376 1.982 -4.419 314 HA LYS 37 HA LYS 37 9.150 2.663 -6.505 315 HB2 LYS 37 2HB LYS 37 9.662 0.119 -6.925 316 HB3 LYS 37 1HB LYS 37 8.157 0.175 -7.844 317 HG2 LYS 37 2HG LYS 37 9.180 2.152 -9.080 318 HG3 LYS 37 1HG LYS 37 10.709 1.671 -8.344 319 HD2 LYS 37 2HD LYS 37 9.969 -0.701 -9.293 320 HD3 LYS 37 1HD LYS 37 9.092 0.320 -10.435 321 HE2 LYS 37 2HE LYS 37 11.135 1.440 -11.065 322 HE3 LYS 37 1HE LYS 37 12.037 0.554 -9.838 323 HZ1 LYS 37 3HZ LYS 37 12.482 -0.618 -11.757 324 HZ2 LYS 37 1HZ LYS 37 10.920 -0.427 -12.381 325 HZ3 LYS 37 2HZ LYS 37 11.196 -1.504 -11.107 326 H THR 38 H THR 38 6.127 1.118 -5.829 327 HA THR 38 HA THR 38 4.753 3.230 -7.299 328 HB THR 38 HB THR 38 3.154 1.640 -8.269 329 HG1 THR 38 1HG THR 38 4.851 -0.313 -7.116 330 HG21 THR 38 3HG2 THR 38 4.676 0.413 -9.840 331 HG22 THR 38 1HG2 THR 38 6.028 1.091 -8.934 332 HG23 THR 38 2HG2 THR 38 4.901 2.160 -9.768 333 H VAL 39 H VAL 39 4.397 4.071 -5.187 334 HA VAL 39 HA VAL 39 3.432 2.938 -2.929 335 HB VAL 39 HB VAL 39 3.823 5.342 -3.126 336 HG11 VAL 39 1HG1 VAL 39 1.130 5.664 -4.395 337 HG12 VAL 39 2HG1 VAL 39 2.580 5.460 -5.377 338 HG13 VAL 39 3HG1 VAL 39 2.452 6.829 -4.274 339 HG21 VAL 39 3HG2 VAL 39 0.975 5.153 -2.262 340 HG22 VAL 39 1HG2 VAL 39 2.335 5.964 -1.488 341 HG23 VAL 39 2HG2 VAL 39 2.198 4.212 -1.408 342 H GLU 40 H GLU 40 1.360 3.905 -5.677 343 HA GLU 40 HA GLU 40 -1.058 3.021 -4.539 344 HB2 GLU 40 2HB GLU 40 -0.162 3.999 -7.122 345 HB3 GLU 40 1HB GLU 40 -1.334 2.703 -7.309 346 HG2 GLU 40 2HG GLU 40 -3.033 3.941 -6.536 347 HG3 GLU 40 1HG GLU 40 -2.037 4.735 -5.317 348 H GLY 41 H GLY 41 1.323 1.413 -6.612 349 HA2 GLY 41 2HA GLY 41 -0.104 -1.020 -6.884 350 HA3 GLY 41 1HA GLY 41 1.626 -0.810 -7.115 351 H VAL 42 H VAL 42 2.447 -0.002 -4.608 352 HA VAL 42 HA VAL 42 2.902 -2.316 -3.216 353 HB VAL 42 HB VAL 42 2.491 0.331 -1.825 354 HG11 VAL 42 1HG1 VAL 42 4.728 -1.432 -1.121 355 HG12 VAL 42 2HG1 VAL 42 3.127 -2.095 -0.791 356 HG13 VAL 42 3HG1 VAL 42 3.605 -0.551 -0.085 357 HG21 VAL 42 3HG2 VAL 42 5.111 0.356 -2.328 358 HG22 VAL 42 1HG2 VAL 42 3.930 1.092 -3.410 359 HG23 VAL 42 2HG2 VAL 42 4.567 -0.514 -3.763 360 H TRP 43 H TRP 43 0.190 -0.081 -2.868 361 HA TRP 43 HA TRP 43 -1.029 -1.570 -0.738 362 HD1 TRP 43 HD TRP 43 -2.304 0.377 1.342 363 HE1 TRP 43 1HE TRP 43 -4.721 0.047 2.160 364 HE3 TRP 43 3HE TRP 43 -4.589 -0.397 -3.166 365 HZ2 TRP 43 2HZ TRP 43 -7.261 -0.473 1.042 366 HZ3 TRP 43 3HZ TRP 43 -7.015 -0.804 -3.204 367 HH2 TRP 43 HH TRP 43 -8.323 -0.841 -1.141 368 HB2 TRP 43 2HB TRP 43 -1.307 0.911 -1.097 369 HB3 TRP 43 1HB TRP 43 -2.322 0.530 -2.484 370 H THR 44 H THR 44 -1.257 -1.495 -4.237 371 HA THR 44 HA THR 44 -3.687 -3.052 -4.316 372 HB THR 44 HB THR 44 -1.816 -2.782 -6.645 373 HG1 THR 44 1HG THR 44 -3.405 -0.750 -5.495 374 HG21 THR 44 3HG2 THR 44 -3.552 -3.576 -7.748 375 HG22 THR 44 1HG2 THR 44 -4.451 -2.123 -7.315 376 HG23 THR 44 2HG2 THR 44 -4.542 -3.553 -6.288 377 H LEU 45 H LEU 45 -0.267 -3.681 -5.015 378 HA LEU 45 HA LEU 45 -0.481 -6.373 -5.689 379 HB2 LEU 45 2HB LEU 45 1.675 -4.591 -4.721 380 HB3 LEU 45 1HB LEU 45 1.943 -6.308 -4.494 381 HD11 LEU 45 1HD1 LEU 45 0.484 -7.124 -7.279 382 HD12 LEU 45 2HD1 LEU 45 1.838 -7.827 -6.395 383 HD13 LEU 45 3HD1 LEU 45 2.078 -7.212 -8.030 384 HD21 LEU 45 3HD2 LEU 45 1.377 -3.646 -6.874 385 HD22 LEU 45 1HD2 LEU 45 0.243 -4.804 -7.568 386 HD23 LEU 45 2HD2 LEU 45 1.810 -4.538 -8.332 387 H LYS 46 H LYS 46 -0.306 -4.772 -2.577 388 HA LYS 46 HA LYS 46 0.060 -7.102 -1.002 389 HB2 LYS 46 2HB LYS 46 0.608 -5.049 0.032 390 HB3 LYS 46 1HB LYS 46 -0.911 -4.306 -0.435 391 HG2 LYS 46 2HG LYS 46 -2.066 -5.871 1.137 392 HG3 LYS 46 1HG LYS 46 -0.471 -6.382 1.697 393 HD2 LYS 46 2HD LYS 46 -0.937 -4.741 3.229 394 HD3 LYS 46 1HD LYS 46 -0.123 -3.784 1.990 395 HE2 LYS 46 2HE LYS 46 -2.185 -2.713 2.797 396 HE3 LYS 46 1HE LYS 46 -2.252 -3.091 1.077 397 HZ1 LYS 46 3HZ LYS 46 -3.314 -5.059 2.967 398 HZ2 LYS 46 1HZ LYS 46 -3.816 -4.695 1.394 399 HZ3 LYS 46 2HZ LYS 46 -4.229 -3.668 2.674 400 H ASP 47 H ASP 47 -2.840 -5.082 -1.511 401 HA ASP 47 HA ASP 47 -4.649 -6.801 -0.251 402 HB2 ASP 47 2HB ASP 47 -4.780 -4.416 -1.887 403 HB3 ASP 47 1HB ASP 47 -6.080 -5.528 -2.306 404 H GLU 48 H GLU 48 -3.332 -6.787 -3.481 405 HA GLU 48 HA GLU 48 -5.164 -8.731 -4.524 406 HB2 GLU 48 2HB GLU 48 -3.759 -6.937 -5.792 407 HB3 GLU 48 1HB GLU 48 -2.482 -8.145 -5.731 408 HG2 GLU 48 2HG GLU 48 -4.030 -9.746 -6.835 409 HG3 GLU 48 1HG GLU 48 -5.186 -8.428 -7.015 410 H ILE 49 H ILE 49 -1.688 -8.822 -3.655 411 HA ILE 49 HA ILE 49 -1.338 -11.541 -4.116 412 HB ILE 49 HB ILE 49 0.590 -10.100 -3.748 413 HG12 ILE 49 2HG1 ILE 49 1.909 -11.662 -2.496 414 HG13 ILE 49 1HG1 ILE 49 0.506 -12.221 -1.600 415 HG21 ILE 49 1HG2 ILE 49 1.116 -9.008 -1.823 416 HG22 ILE 49 2HG2 ILE 49 0.218 -10.137 -0.804 417 HG23 ILE 49 3HG2 ILE 49 -0.643 -8.928 -1.753 418 HD11 ILE 49 3HD1 ILE 49 -0.415 -13.155 -3.693 419 HD12 ILE 49 1HD1 ILE 49 1.130 -13.866 -3.229 420 HD13 ILE 49 2HD1 ILE 49 1.066 -12.669 -4.523 421 H LEU 50 H LEU 50 -2.960 -9.951 -1.513 422 HA LEU 50 HA LEU 50 -2.851 -12.267 0.218 423 HG LEU 50 HG LEU 50 -4.184 -12.076 2.268 424 HB2 LEU 50 2HB LEU 50 -3.175 -9.683 0.795 425 HB3 LEU 50 1HB LEU 50 -4.869 -10.118 0.627 426 HD11 LEU 50 1HD1 LEU 50 -2.579 -10.821 3.950 427 HD12 LEU 50 2HD1 LEU 50 -1.988 -10.096 2.455 428 HD13 LEU 50 3HD1 LEU 50 -1.953 -11.846 2.659 429 HD21 LEU 50 3HD2 LEU 50 -4.488 -9.311 3.398 430 HD22 LEU 50 1HD2 LEU 50 -5.112 -10.835 4.027 431 HD23 LEU 50 2HD2 LEU 50 -5.810 -10.131 2.568 432 H THR 51 H THR 51 -4.985 -10.826 -2.134 433 HA THR 51 HA THR 51 -7.295 -12.352 -1.604 434 HB THR 51 HB THR 51 -6.297 -10.916 -4.056 435 HG1 THR 51 1HG THR 51 -7.426 -9.327 -3.279 436 HG21 THR 51 3HG2 THR 51 -8.953 -12.289 -3.724 437 HG22 THR 51 1HG2 THR 51 -7.714 -12.649 -4.928 438 HG23 THR 51 2HG2 THR 51 -8.573 -11.108 -4.978 439 H PHE 52 H PHE 52 -4.293 -13.250 -3.066 440 HA PHE 52 HA PHE 52 -5.485 -15.466 -4.502 441 HD1 PHE 52 1HD PHE 52 -2.468 -14.668 -2.295 442 HD2 PHE 52 2HD PHE 52 -1.415 -16.312 -6.072 443 HE1 PHE 52 1HE PHE 52 -0.287 -15.352 -1.381 444 HE2 PHE 52 2HE PHE 52 0.760 -17.017 -5.165 445 HZ PHE 52 HZ PHE 52 1.326 -16.536 -2.818 446 HB2 PHE 52 2HB PHE 52 -3.578 -15.558 -5.723 447 HB3 PHE 52 1HB PHE 52 -3.324 -13.948 -5.072 448 H THR 53 H THR 53 -5.901 -15.477 -1.752 449 HA THR 53 HA THR 53 -5.466 -18.118 -1.077 450 HB THR 53 HB THR 53 -3.317 -16.259 -0.063 451 HG1 THR 53 1HG THR 53 -3.325 -18.925 -1.026 452 HG21 THR 53 3HG2 THR 53 -4.587 -18.435 1.459 453 HG22 THR 53 1HG2 THR 53 -3.666 -17.036 2.014 454 HG23 THR 53 2HG2 THR 53 -2.825 -18.455 1.389 455 H VAL 54 H VAL 54 -5.046 -15.128 0.804 456 HA VAL 54 HA VAL 54 -6.199 -14.251 2.533 457 HB VAL 54 HB VAL 54 -8.503 -15.341 0.924 458 HG11 VAL 54 1HG1 VAL 54 -8.446 -13.870 3.489 459 HG12 VAL 54 2HG1 VAL 54 -9.656 -14.976 2.841 460 HG13 VAL 54 3HG1 VAL 54 -9.600 -13.304 2.281 461 HG21 VAL 54 3HG2 VAL 54 -7.107 -12.687 1.043 462 HG22 VAL 54 1HG2 VAL 54 -8.708 -12.885 0.338 463 HG23 VAL 54 2HG2 VAL 54 -7.338 -13.749 -0.346 464 H THR 55 H THR 55 -5.678 -15.282 4.387 465 HA THR 55 HA THR 55 -6.549 -17.945 4.982 466 HB THR 55 HB THR 55 -5.530 -16.086 7.092 467 HG1 THR 55 1HG THR 55 -4.047 -17.086 4.904 468 HG21 THR 55 3HG2 THR 55 -5.982 -18.457 7.617 469 HG22 THR 55 1HG2 THR 55 -4.303 -17.992 7.855 470 HG23 THR 55 2HG2 THR 55 -4.770 -18.918 6.428 471 H GLU 56 H GLU 56 -8.557 -18.422 5.535 472 HA GLU 56 HA GLU 56 -10.380 -16.451 6.551 473 HB2 GLU 56 2HB GLU 56 -10.518 -19.286 5.711 474 HB3 GLU 56 1HB GLU 56 -11.711 -18.775 6.901 475 HG2 GLU 56 2HG GLU 56 -12.918 -17.758 5.351 476 HG3 GLU 56 1HG GLU 56 -11.520 -16.840 4.789 Start of MODEL 11 1 HA THR 1 HA THR 1 7.314 24.107 -1.232 2 HB THR 1 HB THR 1 6.372 26.114 -2.241 3 HG1 THR 1 1HG THR 1 5.544 23.782 -3.634 4 H1 THR 1 1HT THR 1 8.620 26.144 -1.740 5 H2 THR 1 2HT THR 1 9.344 25.257 -3.013 6 H3 THR 1 3HT THR 1 9.505 24.722 -1.392 7 HG21 THR 1 1HG2 THR 1 6.967 25.004 -4.960 8 HG22 THR 1 2HG2 THR 1 8.003 26.187 -4.176 9 HG23 THR 1 3HG2 THR 1 6.321 26.582 -4.540 10 H THR 2 H THR 2 6.819 22.043 -1.778 11 HA THR 2 HA THR 2 7.661 20.974 -4.346 12 HB THR 2 HB THR 2 8.545 18.940 -2.802 13 HG1 THR 2 1HG THR 2 8.178 20.342 -0.925 14 HG21 THR 2 3HG2 THR 2 10.860 20.052 -2.958 15 HG22 THR 2 1HG2 THR 2 10.016 21.314 -3.865 16 HG23 THR 2 2HG2 THR 2 10.002 19.653 -4.445 17 H TYR 3 H TYR 3 6.213 19.575 -5.123 18 HA TYR 3 HA TYR 3 4.049 18.716 -3.347 19 HD1 TYR 3 1HD TYR 3 5.126 20.760 -6.757 20 HD2 TYR 3 2HD TYR 3 3.749 16.755 -7.133 21 HE1 TYR 3 1HE TYR 3 6.238 20.591 -8.944 22 HE2 TYR 3 2HE TYR 3 4.858 16.573 -9.320 23 HH TYR 3 HH TYR 3 6.024 19.243 -11.020 24 HB2 TYR 3 2HB TYR 3 2.829 18.215 -5.452 25 HB3 TYR 3 1HB TYR 3 3.326 19.892 -5.330 26 H LYS 4 H LYS 4 6.475 17.369 -3.045 27 HA LYS 4 HA LYS 4 5.628 14.670 -3.674 28 HB2 LYS 4 2HB LYS 4 7.137 15.606 -5.569 29 HB3 LYS 4 1HB LYS 4 8.445 15.416 -4.405 30 HG2 LYS 4 2HG LYS 4 6.705 13.071 -4.755 31 HG3 LYS 4 1HG LYS 4 7.694 13.511 -6.145 32 HD2 LYS 4 2HD LYS 4 9.334 12.355 -5.150 33 HD3 LYS 4 1HD LYS 4 9.457 13.729 -4.046 34 HE2 LYS 4 2HE LYS 4 9.295 11.716 -2.745 35 HE3 LYS 4 1HE LYS 4 7.782 12.609 -2.581 36 HZ1 LYS 4 3HZ LYS 4 6.631 11.050 -3.743 37 HZ2 LYS 4 1HZ LYS 4 7.823 10.045 -3.090 38 HZ3 LYS 4 2HZ LYS 4 7.955 10.582 -4.686 39 H LEU 5 H LEU 5 5.368 14.956 -1.305 40 HA LEU 5 HA LEU 5 7.799 14.063 0.049 41 HG LEU 5 HG LEU 5 8.451 16.444 -0.526 42 HB2 LEU 5 2HB LEU 5 6.056 16.272 1.138 43 HB3 LEU 5 1HB LEU 5 7.471 15.589 1.915 44 HD11 LEU 5 1HD1 LEU 5 7.557 18.441 -1.141 45 HD12 LEU 5 2HD1 LEU 5 6.934 18.791 0.470 46 HD13 LEU 5 3HD1 LEU 5 6.100 17.635 -0.561 47 HD21 LEU 5 3HD2 LEU 5 9.335 16.630 1.874 48 HD22 LEU 5 1HD2 LEU 5 8.458 18.168 1.929 49 HD23 LEU 5 2HD2 LEU 5 9.736 17.923 0.733 50 H ILE 6 H ILE 6 4.320 14.710 0.352 51 HA ILE 6 HA ILE 6 4.003 12.788 2.469 52 HB ILE 6 HB ILE 6 1.525 13.182 2.041 53 HG12 ILE 6 2HG1 ILE 6 2.064 15.696 0.658 54 HG13 ILE 6 1HG1 ILE 6 2.448 14.291 -0.317 55 HG21 ILE 6 1HG2 ILE 6 3.366 14.572 3.502 56 HG22 ILE 6 2HG2 ILE 6 1.617 14.773 3.597 57 HG23 ILE 6 3HG2 ILE 6 2.577 15.847 2.585 58 HD11 ILE 6 3HD1 ILE 6 0.197 14.982 -0.752 59 HD12 ILE 6 1HD1 ILE 6 -0.193 14.927 0.969 60 HD13 ILE 6 2HD1 ILE 6 0.170 13.440 0.101 61 H LEU 7 H LEU 7 3.055 10.771 2.364 62 HA LEU 7 HA LEU 7 1.876 9.685 0.032 63 HG LEU 7 HG LEU 7 3.302 10.082 -1.808 64 HB2 LEU 7 2HB LEU 7 4.773 9.513 0.271 65 HB3 LEU 7 1HB LEU 7 4.023 7.935 0.139 66 HD11 LEU 7 1HD1 LEU 7 5.151 8.791 -3.207 67 HD12 LEU 7 2HD1 LEU 7 5.872 8.620 -1.604 68 HD13 LEU 7 3HD1 LEU 7 5.525 10.227 -2.253 69 HD21 LEU 7 3HD2 LEU 7 2.168 7.766 -1.536 70 HD22 LEU 7 1HD2 LEU 7 3.612 7.157 -2.344 71 HD23 LEU 7 2HD2 LEU 7 2.583 8.348 -3.154 72 H ASN 8 H ASN 8 2.277 7.029 0.313 73 HA ASN 8 HA ASN 8 2.075 6.288 3.110 74 HB2 ASN 8 2HB ASN 8 -0.258 7.044 1.987 75 HB3 ASN 8 1HB ASN 8 -0.238 5.349 1.505 76 HD21 ASN 8 1HD2 ASN 8 -0.646 7.577 4.071 77 HD22 ASN 8 2HD2 ASN 8 -1.021 6.432 5.307 78 H LEU 9 H LEU 9 3.889 5.661 1.014 79 HA LEU 9 HA LEU 9 3.273 3.011 0.061 80 HG LEU 9 HG LEU 9 5.294 2.053 -1.251 81 HB2 LEU 9 2HB LEU 9 4.462 4.520 -1.368 82 HB3 LEU 9 1HB LEU 9 5.679 4.807 -0.137 83 HD11 LEU 9 1HD1 LEU 9 7.404 3.464 -2.581 84 HD12 LEU 9 2HD1 LEU 9 5.871 4.302 -2.820 85 HD13 LEU 9 3HD1 LEU 9 6.026 2.602 -3.269 86 HD21 LEU 9 3HD2 LEU 9 7.012 3.251 0.628 87 HD22 LEU 9 1HD2 LEU 9 7.991 2.916 -0.798 88 HD23 LEU 9 2HD2 LEU 9 7.093 1.613 -0.021 89 H LYS 10 H LYS 10 5.630 4.490 2.264 90 HA LYS 10 HA LYS 10 7.024 2.244 3.054 91 HB2 LYS 10 2HB LYS 10 7.558 4.615 3.656 92 HB3 LYS 10 1HB LYS 10 6.269 4.554 4.849 93 HG2 LYS 10 2HG LYS 10 7.426 3.088 6.216 94 HG3 LYS 10 1HG LYS 10 8.473 2.537 4.908 95 HD2 LYS 10 2HD LYS 10 9.568 4.733 4.870 96 HD3 LYS 10 1HD LYS 10 8.528 5.266 6.192 97 HE2 LYS 10 2HE LYS 10 10.707 4.607 7.035 98 HE3 LYS 10 1HE LYS 10 9.461 3.505 7.620 99 HZ1 LYS 10 3HZ LYS 10 11.311 2.984 5.352 100 HZ2 LYS 10 1HZ LYS 10 10.104 1.933 5.897 101 HZ3 LYS 10 2HZ LYS 10 11.415 2.299 6.897 102 H GLN 11 H GLN 11 3.894 3.418 4.125 103 HA GLN 11 HA GLN 11 3.687 1.372 6.170 104 HB2 GLN 11 2HB GLN 11 2.495 3.898 5.722 105 HB3 GLN 11 1HB GLN 11 1.198 2.713 5.661 106 HG2 GLN 11 2HG GLN 11 2.581 1.906 7.863 107 HG3 GLN 11 1HG GLN 11 2.781 3.654 7.922 108 HE21 GLN 11 1HE2 GLN 11 1.302 4.638 9.071 109 HE22 GLN 11 2HE2 GLN 11 -0.341 4.141 9.275 110 H ALA 12 H ALA 12 2.522 2.026 2.949 111 HA ALA 12 HA ALA 12 0.467 0.138 2.794 112 HB1 ALA 12 1HB ALA 12 2.172 1.573 0.846 113 HB2 ALA 12 2HB ALA 12 0.415 1.451 0.943 114 HB3 ALA 12 3HB ALA 12 1.355 0.119 0.270 115 H LYS 13 H LYS 13 3.945 -0.146 2.384 116 HA LYS 13 HA LYS 13 3.744 -2.947 1.686 117 HB2 LYS 13 2HB LYS 13 5.914 -2.852 1.003 118 HB3 LYS 13 1HB LYS 13 5.501 -1.151 0.868 119 HG2 LYS 13 2HG LYS 13 6.569 -1.834 3.492 120 HG3 LYS 13 1HG LYS 13 7.676 -2.188 2.168 121 HD2 LYS 13 2HD LYS 13 7.172 0.129 1.299 122 HD3 LYS 13 1HD LYS 13 6.379 0.435 2.844 123 HE2 LYS 13 2HE LYS 13 8.348 0.922 3.754 124 HE3 LYS 13 1HE LYS 13 8.911 -0.711 3.397 125 HZ1 LYS 13 3HZ LYS 13 10.361 0.958 2.430 126 HZ2 LYS 13 1HZ LYS 13 9.071 1.614 1.554 127 HZ3 LYS 13 2HZ LYS 13 9.615 0.049 1.215 128 H GLU 14 H GLU 14 4.595 -1.006 4.505 129 HA GLU 14 HA GLU 14 5.704 -3.048 6.076 130 HB2 GLU 14 2HB GLU 14 5.660 -1.551 7.804 131 HB3 GLU 14 1HB GLU 14 5.398 -0.430 6.479 132 HG2 GLU 14 2HG GLU 14 3.826 0.226 8.027 133 HG3 GLU 14 1HG GLU 14 2.892 -0.807 6.951 134 H GLU 15 H GLU 15 2.384 -2.028 5.556 135 HA GLU 15 HA GLU 15 1.223 -3.945 7.333 136 HB2 GLU 15 2HB GLU 15 0.103 -1.813 6.625 137 HB3 GLU 15 1HB GLU 15 -0.052 -2.486 5.007 138 HG2 GLU 15 2HG GLU 15 -1.992 -3.349 5.613 139 HG3 GLU 15 1HG GLU 15 -1.126 -4.414 6.720 140 H ALA 16 H ALA 16 2.185 -3.787 4.001 141 HA ALA 16 HA ALA 16 0.812 -6.083 3.093 142 HB1 ALA 16 1HB ALA 16 3.334 -5.012 1.877 143 HB2 ALA 16 2HB ALA 16 1.783 -4.191 1.702 144 HB3 ALA 16 3HB ALA 16 1.985 -5.827 1.090 145 H ILE 17 H ILE 17 4.106 -5.543 4.331 146 HA ILE 17 HA ILE 17 5.045 -8.158 3.851 147 HB ILE 17 HB ILE 17 6.586 -6.349 4.399 148 HG12 ILE 17 2HG1 ILE 17 7.734 -7.618 6.442 149 HG13 ILE 17 1HG1 ILE 17 6.532 -8.837 6.034 150 HG21 ILE 17 1HG2 ILE 17 5.125 -6.330 7.006 151 HG22 ILE 17 2HG2 ILE 17 5.526 -4.988 5.936 152 HG23 ILE 17 3HG2 ILE 17 6.789 -5.759 6.892 153 HD11 ILE 17 3HD1 ILE 17 8.382 -9.483 4.815 154 HD12 ILE 17 1HD1 ILE 17 8.819 -7.825 4.405 155 HD13 ILE 17 2HD1 ILE 17 7.429 -8.587 3.632 156 H LYS 18 H LYS 18 3.246 -6.683 6.464 157 HA LYS 18 HA LYS 18 3.283 -8.964 8.178 158 HB2 LYS 18 2HB LYS 18 2.461 -7.451 9.607 159 HB3 LYS 18 1HB LYS 18 2.338 -6.286 8.301 160 HG2 LYS 18 2HG LYS 18 0.092 -6.727 7.948 161 HG3 LYS 18 1HG LYS 18 0.173 -8.300 8.745 162 HD2 LYS 18 2HD LYS 18 -0.538 -7.341 10.621 163 HD3 LYS 18 1HD LYS 18 0.953 -6.401 10.667 164 HE2 LYS 18 2HE LYS 18 -0.764 -5.171 8.784 165 HE3 LYS 18 1HE LYS 18 -1.722 -5.510 10.225 166 HZ1 LYS 18 3HZ LYS 18 -0.314 -4.225 11.547 167 HZ2 LYS 18 1HZ LYS 18 -0.491 -3.310 10.135 168 HZ3 LYS 18 2HZ LYS 18 0.923 -4.200 10.395 169 H GLU 19 H GLU 19 1.343 -7.827 5.527 170 HA GLU 19 HA GLU 19 -0.901 -9.501 5.799 171 HB2 GLU 19 2HB GLU 19 0.190 -7.679 3.849 172 HB3 GLU 19 1HB GLU 19 -0.417 -9.115 3.043 173 HG2 GLU 19 2HG GLU 19 -2.116 -7.399 3.132 174 HG3 GLU 19 1HG GLU 19 -2.590 -8.791 4.109 175 H LEU 20 H LEU 20 2.033 -9.900 3.811 176 HA LEU 20 HA LEU 20 1.300 -12.543 3.011 177 HG LEU 20 HG LEU 20 2.441 -13.454 1.348 178 HB2 LEU 20 2HB LEU 20 2.979 -10.701 1.986 179 HB3 LEU 20 1HB LEU 20 4.135 -11.715 2.823 180 HD11 LEU 20 1HD1 LEU 20 3.380 -11.066 -0.213 181 HD12 LEU 20 2HD1 LEU 20 1.731 -11.672 -0.045 182 HD13 LEU 20 3HD1 LEU 20 2.928 -12.608 -0.940 183 HD21 LEU 20 3HD2 LEU 20 5.300 -12.563 1.121 184 HD22 LEU 20 1HD2 LEU 20 4.604 -13.789 0.059 185 HD23 LEU 20 2HD2 LEU 20 4.666 -14.061 1.801 186 H VAL 21 H VAL 21 3.359 -11.177 5.523 187 HA VAL 21 HA VAL 21 4.666 -13.565 6.265 188 HB VAL 21 HB VAL 21 4.072 -11.048 7.816 189 HG11 VAL 21 1HG1 VAL 21 5.623 -13.474 8.711 190 HG12 VAL 21 2HG1 VAL 21 4.189 -12.781 9.467 191 HG13 VAL 21 3HG1 VAL 21 5.714 -11.896 9.493 192 HG21 VAL 21 3HG2 VAL 21 6.785 -12.039 7.061 193 HG22 VAL 21 1HG2 VAL 21 6.223 -10.387 7.319 194 HG23 VAL 21 2HG2 VAL 21 5.776 -11.252 5.848 195 H ASP 22 H ASP 22 1.531 -12.244 7.004 196 HA ASP 22 HA ASP 22 1.041 -14.300 9.001 197 HB2 ASP 22 2HB ASP 22 0.205 -11.734 8.899 198 HB3 ASP 22 1HB ASP 22 -1.170 -12.526 8.134 199 H ALA 23 H ALA 23 0.174 -13.443 5.717 200 HA ALA 23 HA ALA 23 -1.833 -15.513 5.506 201 HB1 ALA 23 1HB ALA 23 -1.630 -14.840 3.006 202 HB2 ALA 23 2HB ALA 23 -0.684 -13.490 3.631 203 HB3 ALA 23 3HB ALA 23 -2.353 -13.714 4.154 204 H GLY 24 H GLY 24 1.562 -15.370 5.231 205 HA2 GLY 24 2HA GLY 24 3.150 -16.825 4.426 206 HA3 GLY 24 1HA GLY 24 1.985 -18.059 4.893 207 H ILE 25 H ILE 25 3.600 -16.560 2.270 208 HA ILE 25 HA ILE 25 2.770 -18.493 0.431 209 HB ILE 25 HB ILE 25 1.623 -16.581 -1.102 210 HG12 ILE 25 2HG1 ILE 25 0.405 -16.116 1.621 211 HG13 ILE 25 1HG1 ILE 25 1.619 -15.043 0.935 212 HG21 ILE 25 1HG2 ILE 25 -0.272 -17.987 0.656 213 HG22 ILE 25 2HG2 ILE 25 0.930 -18.995 -0.148 214 HG23 ILE 25 3HG2 ILE 25 -0.146 -17.973 -1.101 215 HD11 ILE 25 3HD1 ILE 25 0.198 -14.270 -0.702 216 HD12 ILE 25 1HD1 ILE 25 -0.880 -14.473 0.679 217 HD13 ILE 25 2HD1 ILE 25 -0.851 -15.685 -0.603 218 H ALA 26 H ALA 26 3.074 -17.410 -1.984 219 HA ALA 26 HA ALA 26 5.679 -17.253 -2.527 220 HB1 ALA 26 1HB ALA 26 5.003 -15.628 -4.451 221 HB2 ALA 26 2HB ALA 26 3.367 -15.916 -3.856 222 HB3 ALA 26 3HB ALA 26 4.353 -17.269 -4.408 223 H GLU 27 H GLU 27 7.002 -16.206 -1.104 224 HA GLU 27 HA GLU 27 6.697 -13.639 -0.094 225 HB2 GLU 27 2HB GLU 27 8.453 -15.511 0.439 226 HB3 GLU 27 1HB GLU 27 9.423 -14.682 -0.771 227 HG2 GLU 27 2HG GLU 27 9.598 -12.752 0.508 228 HG3 GLU 27 1HG GLU 27 8.216 -13.181 1.516 229 H LYS 28 H LYS 28 7.659 -14.703 -3.219 230 HA LYS 28 HA LYS 28 9.149 -12.688 -4.292 231 HB2 LYS 28 2HB LYS 28 8.691 -14.434 -5.754 232 HB3 LYS 28 1HB LYS 28 6.975 -14.430 -5.392 233 HG2 LYS 28 2HG LYS 28 6.685 -13.412 -7.327 234 HG3 LYS 28 1HG LYS 28 7.398 -11.975 -6.599 235 HD2 LYS 28 2HD LYS 28 9.581 -12.580 -7.395 236 HD3 LYS 28 1HD LYS 28 8.987 -14.139 -7.968 237 HE2 LYS 28 2HE LYS 28 7.751 -11.624 -8.996 238 HE3 LYS 28 1HE LYS 28 9.309 -12.145 -9.632 239 HZ1 LYS 28 3HZ LYS 28 8.176 -14.363 -10.027 240 HZ2 LYS 28 1HZ LYS 28 7.725 -13.087 -11.044 241 HZ3 LYS 28 2HZ LYS 28 6.713 -13.554 -9.771 242 H TYR 29 H TYR 29 5.605 -12.692 -3.928 243 HA TYR 29 HA TYR 29 5.236 -10.129 -5.040 244 HD1 TYR 29 2HD TYR 29 3.604 -12.987 -5.915 245 HD2 TYR 29 1HD TYR 29 2.046 -9.128 -5.032 246 HE1 TYR 29 2HE TYR 29 2.429 -12.974 -8.075 247 HE2 TYR 29 1HE TYR 29 0.868 -9.103 -7.190 248 HH TYR 29 HH TYR 29 0.024 -10.706 -8.846 249 HB2 TYR 29 2HB TYR 29 3.585 -12.074 -3.595 250 HB3 TYR 29 1HB TYR 29 3.117 -10.391 -3.327 251 H ILE 30 H ILE 30 6.114 -11.261 -1.879 252 HA ILE 30 HA ILE 30 5.610 -8.912 -0.414 253 HB ILE 30 HB ILE 30 6.642 -11.426 0.176 254 HG12 ILE 30 2HG1 ILE 30 6.480 -8.971 1.935 255 HG13 ILE 30 1HG1 ILE 30 5.162 -10.086 1.590 256 HG21 ILE 30 1HG2 ILE 30 8.735 -9.395 0.930 257 HG22 ILE 30 2HG2 ILE 30 8.907 -10.561 -0.381 258 HG23 ILE 30 3HG2 ILE 30 8.744 -11.123 1.283 259 HD11 ILE 30 3HD1 ILE 30 7.672 -10.656 3.141 260 HD12 ILE 30 1HD1 ILE 30 6.502 -11.886 2.665 261 HD13 ILE 30 2HD1 ILE 30 6.019 -10.585 3.752 262 H LYS 31 H LYS 31 8.064 -9.819 -2.679 263 HA LYS 31 HA LYS 31 9.936 -7.784 -1.938 264 HB2 LYS 31 2HB LYS 31 10.747 -9.786 -3.036 265 HB3 LYS 31 1HB LYS 31 9.728 -9.479 -4.434 266 HG2 LYS 31 2HG LYS 31 11.182 -7.165 -4.261 267 HG3 LYS 31 1HG LYS 31 12.343 -8.388 -3.738 268 HD2 LYS 31 2HD LYS 31 12.675 -8.959 -5.861 269 HD3 LYS 31 1HD LYS 31 10.980 -9.435 -5.986 270 HE2 LYS 31 2HE LYS 31 11.882 -6.585 -6.305 271 HE3 LYS 31 1HE LYS 31 11.831 -7.714 -7.658 272 HZ1 LYS 31 3HZ LYS 31 9.804 -6.210 -7.168 273 HZ2 LYS 31 1HZ LYS 31 9.448 -7.352 -5.971 274 HZ3 LYS 31 2HZ LYS 31 9.549 -7.828 -7.591 275 H LEU 32 H LEU 32 7.333 -8.076 -4.346 276 HA LEU 32 HA LEU 32 7.960 -5.717 -5.751 277 HG LEU 32 HG LEU 32 5.566 -8.364 -5.014 278 HB2 LEU 32 2HB LEU 32 5.105 -6.011 -5.632 279 HB3 LEU 32 1HB LEU 32 6.187 -6.198 -7.002 280 HD11 LEU 32 1HD1 LEU 32 4.239 -9.341 -6.872 281 HD12 LEU 32 2HD1 LEU 32 4.432 -7.821 -7.746 282 HD13 LEU 32 3HD1 LEU 32 3.562 -7.853 -6.213 283 HD21 LEU 32 3HD2 LEU 32 6.775 -8.685 -7.737 284 HD22 LEU 32 1HD2 LEU 32 6.760 -9.827 -6.394 285 HD23 LEU 32 2HD2 LEU 32 7.773 -8.386 -6.315 286 H ILE 33 H ILE 33 6.308 -6.287 -2.753 287 HA ILE 33 HA ILE 33 5.511 -3.492 -2.504 288 HB ILE 33 HB ILE 33 4.732 -4.301 -0.188 289 HG12 ILE 33 2HG1 ILE 33 5.094 -6.951 -1.596 290 HG13 ILE 33 1HG1 ILE 33 5.964 -6.403 -0.167 291 HG21 ILE 33 1HG2 ILE 33 2.780 -4.097 -1.192 292 HG22 ILE 33 2HG2 ILE 33 2.936 -5.727 -1.850 293 HG23 ILE 33 3HG2 ILE 33 3.546 -4.344 -2.762 294 HD11 ILE 33 3HD1 ILE 33 4.007 -8.023 0.112 295 HD12 ILE 33 1HD1 ILE 33 2.999 -6.605 -0.159 296 HD13 ILE 33 2HD1 ILE 33 4.133 -6.638 1.192 297 H ALA 34 H ALA 34 7.581 -5.854 -0.855 298 HA ALA 34 HA ALA 34 8.553 -4.176 1.144 299 HB1 ALA 34 1HB ALA 34 10.006 -6.459 -0.192 300 HB2 ALA 34 2HB ALA 34 8.857 -6.613 1.139 301 HB3 ALA 34 3HB ALA 34 10.382 -5.760 1.383 302 H ASN 35 H ASN 35 9.390 -4.460 -2.222 303 HA ASN 35 HA ASN 35 11.777 -2.833 -1.933 304 HB2 ASN 35 2HB ASN 35 11.951 -4.633 -3.501 305 HB3 ASN 35 1HB ASN 35 10.468 -4.143 -4.320 306 HD21 ASN 35 1HD2 ASN 35 13.844 -3.758 -4.094 307 HD22 ASN 35 2HD2 ASN 35 14.027 -2.560 -5.326 308 H ALA 36 H ALA 36 8.441 -2.373 -2.482 309 HA ALA 36 HA ALA 36 7.178 -0.524 -2.918 310 HB1 ALA 36 1HB ALA 36 9.711 1.067 -2.531 311 HB2 ALA 36 2HB ALA 36 8.754 0.417 -1.198 312 HB3 ALA 36 3HB ALA 36 8.047 1.600 -2.297 313 H LYS 37 H LYS 37 8.585 1.945 -4.169 314 HA LYS 37 HA LYS 37 9.418 2.625 -6.233 315 HB2 LYS 37 2HB LYS 37 10.107 0.170 -6.635 316 HB3 LYS 37 1HB LYS 37 8.566 0.020 -7.480 317 HG2 LYS 37 2HG LYS 37 10.462 0.469 -8.988 318 HG3 LYS 37 1HG LYS 37 9.211 1.713 -9.061 319 HD2 LYS 37 2HD LYS 37 11.288 2.259 -7.080 320 HD3 LYS 37 1HD LYS 37 11.899 2.162 -8.733 321 HE2 LYS 37 2HE LYS 37 10.129 3.773 -9.413 322 HE3 LYS 37 1HE LYS 37 9.686 3.940 -7.714 323 HZ1 LYS 37 3HZ LYS 37 11.142 5.633 -7.822 324 HZ2 LYS 37 1HZ LYS 37 11.983 4.996 -9.145 325 HZ3 LYS 37 2HZ LYS 37 12.295 4.420 -7.587 326 H THR 38 H THR 38 6.415 1.001 -5.652 327 HA THR 38 HA THR 38 5.046 3.050 -7.223 328 HB THR 38 HB THR 38 3.917 0.303 -7.375 329 HG1 THR 38 1HG THR 38 6.089 1.155 -8.983 330 HG21 THR 38 3HG2 THR 38 3.392 1.020 -9.685 331 HG22 THR 38 1HG2 THR 38 4.110 2.589 -9.316 332 HG23 THR 38 2HG2 THR 38 2.679 2.046 -8.438 333 H VAL 39 H VAL 39 4.611 3.943 -5.141 334 HA VAL 39 HA VAL 39 3.567 2.833 -2.898 335 HB VAL 39 HB VAL 39 3.978 5.238 -3.115 336 HG11 VAL 39 1HG1 VAL 39 2.638 6.711 -4.317 337 HG12 VAL 39 2HG1 VAL 39 1.328 5.544 -4.481 338 HG13 VAL 39 3HG1 VAL 39 2.817 5.337 -5.404 339 HG21 VAL 39 3HG2 VAL 39 2.084 4.031 -1.570 340 HG22 VAL 39 1HG2 VAL 39 1.154 5.321 -2.333 341 HG23 VAL 39 2HG2 VAL 39 2.602 5.708 -1.404 342 H GLU 40 H GLU 40 1.633 3.761 -5.753 343 HA GLU 40 HA GLU 40 -0.841 2.921 -4.707 344 HB2 GLU 40 2HB GLU 40 -0.890 4.365 -6.594 345 HB3 GLU 40 1HB GLU 40 0.134 3.300 -7.542 346 HG2 GLU 40 2HG GLU 40 -1.623 2.219 -8.341 347 HG3 GLU 40 1HG GLU 40 -2.246 1.919 -6.720 348 H GLY 41 H GLY 41 1.647 1.246 -6.580 349 HA2 GLY 41 2HA GLY 41 0.196 -1.178 -6.891 350 HA3 GLY 41 1HA GLY 41 1.936 -0.987 -7.049 351 H VAL 42 H VAL 42 2.674 -0.155 -4.538 352 HA VAL 42 HA VAL 42 3.029 -2.444 -3.080 353 HB VAL 42 HB VAL 42 2.609 0.215 -1.723 354 HG11 VAL 42 1HG1 VAL 42 4.867 -1.487 -0.984 355 HG12 VAL 42 2HG1 VAL 42 3.289 -2.233 -0.717 356 HG13 VAL 42 3HG1 VAL 42 3.669 -0.682 0.033 357 HG21 VAL 42 3HG2 VAL 42 4.059 0.989 -3.293 358 HG22 VAL 42 1HG2 VAL 42 4.712 -0.611 -3.641 359 HG23 VAL 42 2HG2 VAL 42 5.234 0.261 -2.198 360 H TRP 43 H TRP 43 0.333 -0.173 -2.919 361 HA TRP 43 HA TRP 43 -0.996 -1.589 -0.798 362 HD1 TRP 43 HD TRP 43 -4.690 -0.114 -2.294 363 HE1 TRP 43 1HE TRP 43 -6.236 -0.178 -0.239 364 HE3 TRP 43 3HE TRP 43 -1.168 0.325 1.384 365 HZ2 TRP 43 2HZ TRP 43 -5.996 -0.058 2.571 366 HZ3 TRP 43 3HZ TRP 43 -1.908 0.342 3.731 367 HH2 TRP 43 HH TRP 43 -4.273 0.155 4.309 368 HB2 TRP 43 2HB TRP 43 -1.222 0.887 -1.226 369 HB3 TRP 43 1HB TRP 43 -2.174 0.489 -2.652 370 H THR 44 H THR 44 -1.088 -1.574 -4.310 371 HA THR 44 HA THR 44 -3.527 -3.107 -4.460 372 HB THR 44 HB THR 44 -1.543 -2.893 -6.705 373 HG1 THR 44 1HG THR 44 -1.895 -0.835 -6.923 374 HG21 THR 44 3HG2 THR 44 -4.539 -2.680 -6.754 375 HG22 THR 44 1HG2 THR 44 -3.656 -4.188 -6.991 376 HG23 THR 44 2HG2 THR 44 -3.440 -2.852 -8.124 377 H LEU 45 H LEU 45 -0.112 -3.813 -5.154 378 HA LEU 45 HA LEU 45 -0.371 -6.519 -5.710 379 HB2 LEU 45 2HB LEU 45 1.973 -5.325 -4.244 380 HB3 LEU 45 1HB LEU 45 1.970 -6.707 -5.325 381 HD11 LEU 45 1HD1 LEU 45 3.753 -4.614 -5.234 382 HD12 LEU 45 2HD1 LEU 45 3.046 -3.089 -5.764 383 HD13 LEU 45 3HD1 LEU 45 3.853 -4.138 -6.928 384 HD21 LEU 45 3HD2 LEU 45 3.017 -5.884 -7.814 385 HD22 LEU 45 1HD2 LEU 45 1.610 -5.012 -8.424 386 HD23 LEU 45 2HD2 LEU 45 1.395 -6.511 -7.519 387 H LYS 46 H LYS 46 -0.204 -4.820 -2.656 388 HA LYS 46 HA LYS 46 0.165 -7.095 -1.002 389 HB2 LYS 46 2HB LYS 46 0.681 -5.009 -0.023 390 HB3 LYS 46 1HB LYS 46 -0.833 -4.289 -0.543 391 HG2 LYS 46 2HG LYS 46 -2.009 -5.808 1.062 392 HG3 LYS 46 1HG LYS 46 -0.422 -6.285 1.668 393 HD2 LYS 46 2HD LYS 46 -0.291 -4.448 2.926 394 HD3 LYS 46 1HD LYS 46 -0.633 -3.414 1.538 395 HE2 LYS 46 2HE LYS 46 -2.828 -4.908 2.930 396 HE3 LYS 46 1HE LYS 46 -2.243 -3.368 3.558 397 HZ1 LYS 46 3HZ LYS 46 -3.796 -3.927 1.163 398 HZ2 LYS 46 1HZ LYS 46 -2.614 -2.724 1.019 399 HZ3 LYS 46 2HZ LYS 46 -3.830 -2.581 2.186 400 H ASP 47 H ASP 47 -2.736 -5.121 -1.619 401 HA ASP 47 HA ASP 47 -4.549 -6.841 -0.348 402 HB2 ASP 47 2HB ASP 47 -4.788 -4.379 -1.340 403 HB3 ASP 47 1HB ASP 47 -5.461 -5.262 -2.707 404 H GLU 48 H GLU 48 -3.154 -6.870 -3.539 405 HA GLU 48 HA GLU 48 -4.993 -8.800 -4.609 406 HB2 GLU 48 2HB GLU 48 -3.458 -7.010 -5.818 407 HB3 GLU 48 1HB GLU 48 -2.307 -8.340 -5.825 408 HG2 GLU 48 2HG GLU 48 -4.560 -9.562 -6.734 409 HG3 GLU 48 1HG GLU 48 -4.740 -7.938 -7.397 410 H ILE 49 H ILE 49 -1.536 -8.912 -3.670 411 HA ILE 49 HA ILE 49 -1.176 -11.629 -4.117 412 HB ILE 49 HB ILE 49 0.725 -10.166 -3.681 413 HG12 ILE 49 2HG1 ILE 49 2.031 -11.712 -2.387 414 HG13 ILE 49 1HG1 ILE 49 0.603 -12.321 -1.567 415 HG21 ILE 49 1HG2 ILE 49 1.181 -9.082 -1.740 416 HG22 ILE 49 2HG2 ILE 49 0.273 -10.230 -0.752 417 HG23 ILE 49 3HG2 ILE 49 -0.583 -9.030 -1.718 418 HD11 ILE 49 3HD1 ILE 49 1.384 -12.733 -4.438 419 HD12 ILE 49 1HD1 ILE 49 -0.189 -13.173 -3.780 420 HD13 ILE 49 2HD1 ILE 49 1.271 -13.941 -3.161 421 H LEU 50 H LEU 50 -2.884 -10.034 -1.576 422 HA LEU 50 HA LEU 50 -2.872 -12.360 0.151 423 HG LEU 50 HG LEU 50 -4.000 -12.130 2.224 424 HB2 LEU 50 2HB LEU 50 -3.238 -9.715 0.651 425 HB3 LEU 50 1HB LEU 50 -4.906 -10.261 0.578 426 HD11 LEU 50 1HD1 LEU 50 -2.425 -10.738 3.808 427 HD12 LEU 50 2HD1 LEU 50 -1.972 -9.962 2.290 428 HD13 LEU 50 3HD1 LEU 50 -1.771 -11.703 2.485 429 HD21 LEU 50 3HD2 LEU 50 -5.640 -10.027 2.467 430 HD22 LEU 50 1HD2 LEU 50 -4.354 -9.518 3.560 431 HD23 LEU 50 2HD2 LEU 50 -5.182 -11.052 3.826 432 H THR 51 H THR 51 -4.897 -10.854 -2.263 433 HA THR 51 HA THR 51 -7.275 -12.262 -1.845 434 HB THR 51 HB THR 51 -6.056 -11.096 -4.344 435 HG1 THR 51 1HG THR 51 -7.247 -9.379 -3.866 436 HG21 THR 51 3HG2 THR 51 -8.815 -12.234 -3.992 437 HG22 THR 51 1HG2 THR 51 -7.585 -12.741 -5.149 438 HG23 THR 51 2HG2 THR 51 -8.339 -11.154 -5.304 439 H PHE 52 H PHE 52 -4.250 -13.294 -3.219 440 HA PHE 52 HA PHE 52 -5.424 -15.635 -4.460 441 HD1 PHE 52 1HD PHE 52 -1.479 -14.361 -3.021 442 HD2 PHE 52 2HD PHE 52 -2.507 -17.642 -5.514 443 HE1 PHE 52 1HE PHE 52 0.534 -15.546 -2.255 444 HE2 PHE 52 2HE PHE 52 -0.499 -18.848 -4.757 445 HZ PHE 52 HZ PHE 52 1.024 -17.803 -3.126 446 HB2 PHE 52 2HB PHE 52 -3.608 -15.547 -5.761 447 HB3 PHE 52 1HB PHE 52 -3.084 -14.124 -4.876 448 H THR 53 H THR 53 -5.410 -15.102 -1.465 449 HA THR 53 HA THR 53 -4.704 -17.817 -0.735 450 HB THR 53 HB THR 53 -2.671 -16.364 -0.317 451 HG1 THR 53 1HG THR 53 -3.898 -17.752 1.824 452 HG21 THR 53 3HG2 THR 53 -2.850 -14.497 0.839 453 HG22 THR 53 1HG2 THR 53 -3.314 -15.451 2.246 454 HG23 THR 53 2HG2 THR 53 -4.551 -14.814 1.169 455 H VAL 54 H VAL 54 -7.211 -17.128 -0.990 456 HA VAL 54 HA VAL 54 -8.175 -17.071 1.760 457 HB VAL 54 HB VAL 54 -9.408 -15.289 -0.337 458 HG11 VAL 54 1HG1 VAL 54 -10.733 -16.271 1.662 459 HG12 VAL 54 2HG1 VAL 54 -10.869 -14.549 1.309 460 HG13 VAL 54 3HG1 VAL 54 -9.823 -15.102 2.619 461 HG21 VAL 54 3HG2 VAL 54 -7.321 -14.731 1.722 462 HG22 VAL 54 1HG2 VAL 54 -8.478 -13.475 1.283 463 HG23 VAL 54 2HG2 VAL 54 -7.429 -14.176 0.052 464 H THR 55 H THR 55 -9.350 -18.850 1.959 465 HA THR 55 HA THR 55 -11.235 -19.542 -0.185 466 HB THR 55 HB THR 55 -10.625 -22.006 0.709 467 HG1 THR 55 1HG THR 55 -8.930 -20.988 2.040 468 HG21 THR 55 3HG2 THR 55 -9.235 -22.343 -1.209 469 HG22 THR 55 1HG2 THR 55 -8.959 -20.609 -1.367 470 HG23 THR 55 2HG2 THR 55 -10.572 -21.280 -1.643 471 H GLU 56 H GLU 56 -12.615 -18.331 1.380 472 HA GLU 56 HA GLU 56 -13.504 -20.082 3.578 473 HB2 GLU 56 2HB GLU 56 -12.588 -17.568 3.879 474 HB3 GLU 56 1HB GLU 56 -14.288 -17.224 3.585 475 HG2 GLU 56 2HG GLU 56 -14.087 -17.370 5.907 476 HG3 GLU 56 1HG GLU 56 -14.795 -18.906 5.412 Start of MODEL 12 1 HA THR 1 HA THR 1 6.417 22.661 2.309 2 HB THR 1 HB THR 1 7.731 22.398 4.410 3 HG1 THR 1 1HG THR 1 6.780 21.983 6.235 4 H1 THR 1 1HT THR 1 4.089 22.320 2.392 5 H2 THR 1 2HT THR 1 4.524 23.656 3.372 6 H3 THR 1 3HT THR 1 4.134 22.149 4.092 7 HG21 THR 1 1HG2 THR 1 7.649 24.570 4.975 8 HG22 THR 1 2HG2 THR 1 5.890 24.589 5.114 9 HG23 THR 1 3HG2 THR 1 6.649 24.677 3.528 10 H THR 2 H THR 2 4.994 20.477 4.736 11 HA THR 2 HA THR 2 6.567 18.241 3.855 12 HB THR 2 HB THR 2 4.815 17.016 5.379 13 HG1 THR 2 1HG THR 2 3.616 18.276 6.625 14 HG21 THR 2 3HG2 THR 2 6.091 18.647 7.290 15 HG22 THR 2 1HG2 THR 2 7.215 18.416 5.953 16 HG23 THR 2 2HG2 THR 2 6.521 17.016 6.768 17 H TYR 3 H TYR 3 3.048 18.841 3.867 18 HA TYR 3 HA TYR 3 1.377 18.097 2.517 19 HD1 TYR 3 1HD TYR 3 1.846 20.859 0.952 20 HD2 TYR 3 2HD TYR 3 0.752 17.148 -0.821 21 HE1 TYR 3 1HE TYR 3 -0.094 21.944 -0.100 22 HE2 TYR 3 2HE TYR 3 -1.192 18.229 -1.882 23 HH TYR 3 HH TYR 3 -2.241 21.369 -1.027 24 HB2 TYR 3 2HB TYR 3 3.427 18.990 0.838 25 HB3 TYR 3 1HB TYR 3 2.937 17.439 0.163 26 H LYS 4 H LYS 4 3.136 16.173 4.030 27 HA LYS 4 HA LYS 4 1.868 13.784 3.177 28 HB2 LYS 4 2HB LYS 4 3.685 13.986 1.458 29 HB3 LYS 4 1HB LYS 4 4.860 13.860 2.761 30 HG2 LYS 4 2HG LYS 4 4.585 11.731 1.671 31 HG3 LYS 4 1HG LYS 4 3.979 11.651 3.325 32 HD2 LYS 4 2HD LYS 4 2.047 12.346 1.187 33 HD3 LYS 4 1HD LYS 4 2.608 10.680 1.263 34 HE2 LYS 4 2HE LYS 4 1.432 10.247 3.125 35 HE3 LYS 4 1HE LYS 4 1.866 11.787 3.863 36 HZ1 LYS 4 3HZ LYS 4 -0.591 11.198 3.057 37 HZ2 LYS 4 1HZ LYS 4 -0.006 11.917 1.643 38 HZ3 LYS 4 2HZ LYS 4 0.008 12.784 3.097 39 H LEU 5 H LEU 5 1.288 13.306 5.214 40 HA LEU 5 HA LEU 5 3.319 13.370 7.322 41 HG LEU 5 HG LEU 5 0.293 15.233 8.537 42 HB2 LEU 5 2HB LEU 5 0.353 12.895 7.600 43 HB3 LEU 5 1HB LEU 5 1.491 13.230 8.888 44 HD11 LEU 5 1HD1 LEU 5 2.590 15.709 8.886 45 HD12 LEU 5 2HD1 LEU 5 2.040 16.781 7.597 46 HD13 LEU 5 3HD1 LEU 5 2.990 15.346 7.211 47 HD21 LEU 5 3HD2 LEU 5 0.992 15.568 5.690 48 HD22 LEU 5 1HD2 LEU 5 -0.467 16.030 6.572 49 HD23 LEU 5 2HD2 LEU 5 -0.233 14.355 6.055 50 H ILE 6 H ILE 6 4.413 11.555 7.649 51 HA ILE 6 HA ILE 6 4.889 9.383 8.087 52 HB ILE 6 HB ILE 6 1.925 8.826 8.030 53 HG12 ILE 6 2HG1 ILE 6 3.631 9.697 10.371 54 HG13 ILE 6 1HG1 ILE 6 2.445 10.705 9.559 55 HG21 ILE 6 1HG2 ILE 6 3.046 7.237 9.937 56 HG22 ILE 6 2HG2 ILE 6 4.327 7.304 8.727 57 HG23 ILE 6 3HG2 ILE 6 2.715 6.744 8.280 58 HD11 ILE 6 3HD1 ILE 6 1.813 9.524 11.760 59 HD12 ILE 6 1HD1 ILE 6 1.627 8.097 10.747 60 HD13 ILE 6 2HD1 ILE 6 0.659 9.537 10.424 61 H LEU 7 H LEU 7 3.872 10.497 5.276 62 HA LEU 7 HA LEU 7 3.677 9.705 3.146 63 HG LEU 7 HG LEU 7 5.977 10.260 3.072 64 HB2 LEU 7 2HB LEU 7 5.698 8.015 4.494 65 HB3 LEU 7 1HB LEU 7 5.107 7.434 2.950 66 HD11 LEU 7 1HD1 LEU 7 7.636 8.556 4.283 67 HD12 LEU 7 2HD1 LEU 7 8.195 9.911 3.318 68 HD13 LEU 7 3HD1 LEU 7 8.132 8.305 2.609 69 HD21 LEU 7 3HD2 LEU 7 6.887 9.622 0.839 70 HD22 LEU 7 1HD2 LEU 7 5.143 9.415 0.998 71 HD23 LEU 7 2HD2 LEU 7 6.210 8.014 1.080 72 H ASN 8 H ASN 8 3.533 7.232 1.998 73 HA ASN 8 HA ASN 8 1.355 5.847 3.397 74 HB2 ASN 8 2HB ASN 8 0.993 7.437 1.036 75 HB3 ASN 8 1HB ASN 8 0.688 5.750 0.636 76 HD21 ASN 8 1HD2 ASN 8 0.049 7.921 3.375 77 HD22 ASN 8 2HD2 ASN 8 -1.616 7.493 3.538 78 H LEU 9 H LEU 9 3.544 5.651 0.549 79 HA LEU 9 HA LEU 9 3.297 2.964 0.007 80 HG LEU 9 HG LEU 9 5.284 1.969 -1.175 81 HB2 LEU 9 2HB LEU 9 4.549 4.508 -1.386 82 HB3 LEU 9 1HB LEU 9 5.749 4.714 -0.119 83 HD11 LEU 9 1HD1 LEU 9 5.706 4.032 -2.943 84 HD12 LEU 9 2HD1 LEU 9 6.082 2.331 -3.223 85 HD13 LEU 9 3HD1 LEU 9 7.334 3.427 -2.634 86 HD21 LEU 9 3HD2 LEU 9 7.231 1.537 -0.160 87 HD22 LEU 9 1HD2 LEU 9 7.001 3.086 0.651 88 HD23 LEU 9 2HD2 LEU 9 7.991 2.992 -0.804 89 H LYS 10 H LYS 10 5.548 4.524 2.261 90 HA LYS 10 HA LYS 10 6.948 2.318 3.140 91 HB2 LYS 10 2HB LYS 10 6.816 4.996 3.825 92 HB3 LYS 10 1HB LYS 10 6.331 4.178 5.304 93 HG2 LYS 10 2HG LYS 10 8.506 2.719 4.560 94 HG3 LYS 10 1HG LYS 10 8.947 4.335 4.005 95 HD2 LYS 10 2HD LYS 10 9.748 4.255 6.199 96 HD3 LYS 10 1HD LYS 10 8.216 5.119 6.338 97 HE2 LYS 10 2HE LYS 10 8.557 3.391 8.091 98 HE3 LYS 10 1HE LYS 10 7.104 3.147 7.123 99 HZ1 LYS 10 3HZ LYS 10 8.811 1.209 7.627 100 HZ2 LYS 10 1HZ LYS 10 9.535 1.812 6.222 101 HZ3 LYS 10 2HZ LYS 10 7.931 1.279 6.185 102 H GLN 11 H GLN 11 3.766 3.455 4.086 103 HA GLN 11 HA GLN 11 3.537 1.429 6.154 104 HB2 GLN 11 2HB GLN 11 2.434 3.949 5.808 105 HB3 GLN 11 1HB GLN 11 1.091 2.866 5.474 106 HG2 GLN 11 2HG GLN 11 2.694 2.275 7.881 107 HG3 GLN 11 1HG GLN 11 1.706 3.736 7.922 108 HE21 GLN 11 1HE2 GLN 11 0.437 2.775 9.555 109 HE22 GLN 11 2HE2 GLN 11 -0.755 1.587 9.182 110 H ALA 12 H ALA 12 2.527 1.993 2.882 111 HA ALA 12 HA ALA 12 0.449 0.101 2.733 112 HB1 ALA 12 1HB ALA 12 0.361 1.332 0.845 113 HB2 ALA 12 2HB ALA 12 1.442 0.092 0.214 114 HB3 ALA 12 3HB ALA 12 2.100 1.611 0.821 115 H LYS 13 H LYS 13 3.936 -0.126 2.372 116 HA LYS 13 HA LYS 13 3.791 -2.933 1.685 117 HB2 LYS 13 2HB LYS 13 5.971 -2.808 1.037 118 HB3 LYS 13 1HB LYS 13 5.529 -1.117 0.874 119 HG2 LYS 13 2HG LYS 13 6.574 -1.764 3.522 120 HG3 LYS 13 1HG LYS 13 7.707 -2.093 2.212 121 HD2 LYS 13 2HD LYS 13 6.972 0.252 1.356 122 HD3 LYS 13 1HD LYS 13 6.457 0.489 3.027 123 HE2 LYS 13 2HE LYS 13 8.643 1.315 2.988 124 HE3 LYS 13 1HE LYS 13 8.811 -0.304 3.664 125 HZ1 LYS 13 3HZ LYS 13 9.637 0.709 1.041 126 HZ2 LYS 13 1HZ LYS 13 9.180 -0.917 1.164 127 HZ3 LYS 13 2HZ LYS 13 10.454 -0.321 2.105 128 H GLU 14 H GLU 14 4.568 -0.958 4.499 129 HA GLU 14 HA GLU 14 5.674 -2.993 6.091 130 HB2 GLU 14 2HB GLU 14 5.606 -1.494 7.826 131 HB3 GLU 14 1HB GLU 14 5.428 -0.385 6.479 132 HG2 GLU 14 2HG GLU 14 3.836 0.346 7.976 133 HG3 GLU 14 1HG GLU 14 2.899 -0.653 6.872 134 H GLU 15 H GLU 15 2.349 -1.912 5.625 135 HA GLU 15 HA GLU 15 1.189 -3.821 7.401 136 HB2 GLU 15 2HB GLU 15 0.056 -1.712 6.691 137 HB3 GLU 15 1HB GLU 15 -0.077 -2.372 5.065 138 HG2 GLU 15 2HG GLU 15 -1.977 -3.352 5.608 139 HG3 GLU 15 1HG GLU 15 -1.148 -4.285 6.854 140 H ALA 16 H ALA 16 2.135 -3.717 4.063 141 HA ALA 16 HA ALA 16 0.746 -6.035 3.214 142 HB1 ALA 16 1HB ALA 16 1.553 -4.243 1.702 143 HB2 ALA 16 2HB ALA 16 2.024 -5.863 1.201 144 HB3 ALA 16 3HB ALA 16 3.200 -4.806 1.980 145 H ILE 17 H ILE 17 4.006 -5.452 4.496 146 HA ILE 17 HA ILE 17 4.999 -8.044 3.961 147 HB ILE 17 HB ILE 17 6.470 -6.153 4.560 148 HG12 ILE 17 2HG1 ILE 17 7.697 -7.590 6.481 149 HG13 ILE 17 1HG1 ILE 17 6.567 -8.803 5.884 150 HG21 ILE 17 1HG2 ILE 17 4.955 -6.279 7.084 151 HG22 ILE 17 2HG2 ILE 17 5.692 -4.908 6.263 152 HG23 ILE 17 3HG2 ILE 17 6.689 -6.000 7.221 153 HD11 ILE 17 3HD1 ILE 17 8.533 -9.130 4.668 154 HD12 ILE 17 1HD1 ILE 17 8.760 -7.402 4.398 155 HD13 ILE 17 2HD1 ILE 17 7.461 -8.262 3.569 156 H LYS 18 H LYS 18 3.105 -6.670 6.550 157 HA LYS 18 HA LYS 18 3.232 -8.969 8.253 158 HB2 LYS 18 2HB LYS 18 1.156 -6.764 8.189 159 HB3 LYS 18 1HB LYS 18 1.440 -7.890 9.508 160 HG2 LYS 18 2HG LYS 18 3.589 -6.036 8.547 161 HG3 LYS 18 1HG LYS 18 2.375 -5.523 9.721 162 HD2 LYS 18 2HD LYS 18 3.659 -8.097 10.318 163 HD3 LYS 18 1HD LYS 18 4.740 -6.703 10.357 164 HE2 LYS 18 2HE LYS 18 3.952 -6.800 12.532 165 HE3 LYS 18 1HE LYS 18 2.892 -5.604 11.788 166 HZ1 LYS 18 3HZ LYS 18 2.119 -8.447 11.865 167 HZ2 LYS 18 1HZ LYS 18 1.132 -7.080 11.727 168 HZ3 LYS 18 2HZ LYS 18 1.856 -7.457 13.200 169 H GLU 19 H GLU 19 1.257 -7.836 5.625 170 HA GLU 19 HA GLU 19 -0.935 -9.589 5.882 171 HB2 GLU 19 2HB GLU 19 0.004 -7.615 4.036 172 HB3 GLU 19 1HB GLU 19 -0.453 -9.045 3.129 173 HG2 GLU 19 2HG GLU 19 -2.320 -7.551 3.256 174 HG3 GLU 19 1HG GLU 19 -2.664 -8.989 4.221 175 H LEU 20 H LEU 20 1.970 -9.815 3.823 176 HA LEU 20 HA LEU 20 1.299 -12.442 2.928 177 HG LEU 20 HG LEU 20 2.497 -13.290 1.248 178 HB2 LEU 20 2HB LEU 20 2.931 -10.511 1.971 179 HB3 LEU 20 1HB LEU 20 4.114 -11.550 2.737 180 HD11 LEU 20 1HD1 LEU 20 3.148 -11.968 -1.023 181 HD12 LEU 20 2HD1 LEU 20 2.639 -10.637 0.015 182 HD13 LEU 20 3HD1 LEU 20 1.543 -11.984 -0.294 183 HD21 LEU 20 3HD2 LEU 20 4.948 -12.418 -0.070 184 HD22 LEU 20 1HD2 LEU 20 4.495 -14.005 0.552 185 HD23 LEU 20 2HD2 LEU 20 5.163 -12.789 1.640 186 H VAL 21 H VAL 21 3.369 -11.137 5.466 187 HA VAL 21 HA VAL 21 4.725 -13.530 6.093 188 HB VAL 21 HB VAL 21 4.121 -11.070 7.727 189 HG11 VAL 21 1HG1 VAL 21 5.217 -13.671 8.617 190 HG12 VAL 21 2HG1 VAL 21 4.345 -12.436 9.525 191 HG13 VAL 21 3HG1 VAL 21 6.059 -12.224 9.171 192 HG21 VAL 21 3HG2 VAL 21 5.869 -11.318 5.757 193 HG22 VAL 21 1HG2 VAL 21 6.855 -12.008 7.045 194 HG23 VAL 21 2HG2 VAL 21 6.225 -10.369 7.200 195 H ASP 22 H ASP 22 1.572 -12.302 6.928 196 HA ASP 22 HA ASP 22 1.152 -14.430 8.859 197 HB2 ASP 22 2HB ASP 22 0.219 -11.892 8.812 198 HB3 ASP 22 1HB ASP 22 -1.129 -12.723 8.041 199 H ALA 23 H ALA 23 0.227 -13.518 5.601 200 HA ALA 23 HA ALA 23 -1.706 -15.643 5.337 201 HB1 ALA 23 1HB ALA 23 -0.671 -13.473 3.616 202 HB2 ALA 23 2HB ALA 23 -2.329 -13.988 3.919 203 HB3 ALA 23 3HB ALA 23 -1.309 -14.900 2.806 204 H GLY 24 H GLY 24 1.686 -15.419 5.107 205 HA2 GLY 24 2HA GLY 24 3.316 -16.810 4.262 206 HA3 GLY 24 1HA GLY 24 2.209 -18.075 4.778 207 H ILE 25 H ILE 25 3.480 -16.293 2.072 208 HA ILE 25 HA ILE 25 2.665 -18.371 0.267 209 HB ILE 25 HB ILE 25 1.582 -16.694 -1.337 210 HG12 ILE 25 2HG1 ILE 25 2.239 -14.705 0.068 211 HG13 ILE 25 1HG1 ILE 25 0.555 -14.741 -0.434 212 HG21 ILE 25 1HG2 ILE 25 -0.571 -17.241 -0.581 213 HG22 ILE 25 2HG2 ILE 25 -0.056 -17.297 1.104 214 HG23 ILE 25 3HG2 ILE 25 0.467 -18.550 -0.019 215 HD11 ILE 25 3HD1 ILE 25 0.291 -15.926 1.930 216 HD12 ILE 25 1HD1 ILE 25 0.260 -14.176 1.730 217 HD13 ILE 25 2HD1 ILE 25 1.737 -14.976 2.261 218 H ALA 26 H ALA 26 3.093 -17.265 -2.153 219 HA ALA 26 HA ALA 26 5.756 -17.281 -2.578 220 HB1 ALA 26 1HB ALA 26 4.594 -17.289 -4.543 221 HB2 ALA 26 2HB ALA 26 5.173 -15.622 -4.549 222 HB3 ALA 26 3HB ALA 26 3.520 -15.983 -4.044 223 H GLU 27 H GLU 27 7.038 -16.230 -1.105 224 HA GLU 27 HA GLU 27 6.775 -13.668 -0.120 225 HB2 GLU 27 2HB GLU 27 8.685 -15.671 0.042 226 HB3 GLU 27 1HB GLU 27 9.560 -14.334 -0.692 227 HG2 GLU 27 2HG GLU 27 8.143 -13.167 1.385 228 HG3 GLU 27 1HG GLU 27 8.696 -14.708 2.039 229 H LYS 28 H LYS 28 7.746 -14.695 -3.264 230 HA LYS 28 HA LYS 28 9.224 -12.639 -4.289 231 HB2 LYS 28 2HB LYS 28 8.809 -14.401 -5.760 232 HB3 LYS 28 1HB LYS 28 7.081 -14.389 -5.453 233 HG2 LYS 28 2HG LYS 28 6.845 -13.334 -7.374 234 HG3 LYS 28 1HG LYS 28 7.587 -11.921 -6.626 235 HD2 LYS 28 2HD LYS 28 8.773 -12.393 -8.649 236 HD3 LYS 28 1HD LYS 28 9.816 -12.827 -7.293 237 HE2 LYS 28 2HE LYS 28 10.052 -14.837 -8.212 238 HE3 LYS 28 1HE LYS 28 8.349 -15.134 -7.864 239 HZ1 LYS 28 3HZ LYS 28 8.548 -15.518 -10.131 240 HZ2 LYS 28 1HZ LYS 28 9.576 -14.199 -10.382 241 HZ3 LYS 28 2HZ LYS 28 7.934 -13.943 -10.066 242 H TYR 29 H TYR 29 5.685 -12.731 -3.938 243 HA TYR 29 HA TYR 29 5.243 -10.180 -5.044 244 HD1 TYR 29 1HD TYR 29 3.770 -13.066 -5.939 245 HD2 TYR 29 2HD TYR 29 1.973 -9.316 -5.040 246 HE1 TYR 29 1HE TYR 29 2.615 -13.107 -8.108 247 HE2 TYR 29 2HE TYR 29 0.810 -9.350 -7.207 248 HH TYR 29 HH TYR 29 1.020 -10.374 -9.395 249 HB2 TYR 29 2HB TYR 29 3.650 -12.170 -3.596 250 HB3 TYR 29 1HB TYR 29 3.127 -10.502 -3.341 251 H ILE 30 H ILE 30 6.182 -11.286 -1.895 252 HA ILE 30 HA ILE 30 5.623 -8.950 -0.421 253 HB ILE 30 HB ILE 30 6.637 -11.431 0.205 254 HG12 ILE 30 2HG1 ILE 30 6.652 -8.930 1.903 255 HG13 ILE 30 1HG1 ILE 30 5.277 -10.000 1.647 256 HG21 ILE 30 1HG2 ILE 30 8.913 -10.491 -0.499 257 HG22 ILE 30 2HG2 ILE 30 8.805 -11.298 1.064 258 HG23 ILE 30 3HG2 ILE 30 8.828 -9.536 0.981 259 HD11 ILE 30 3HD1 ILE 30 6.205 -11.693 2.940 260 HD12 ILE 30 1HD1 ILE 30 6.605 -10.220 3.821 261 HD13 ILE 30 2HD1 ILE 30 7.831 -11.016 2.832 262 H LYS 31 H LYS 31 8.085 -9.806 -2.697 263 HA LYS 31 HA LYS 31 9.924 -7.738 -1.966 264 HB2 LYS 31 2HB LYS 31 10.736 -9.734 -3.100 265 HB3 LYS 31 1HB LYS 31 9.713 -9.395 -4.488 266 HG2 LYS 31 2HG LYS 31 11.102 -7.098 -4.386 267 HG3 LYS 31 1HG LYS 31 12.291 -8.207 -3.697 268 HD2 LYS 31 2HD LYS 31 12.764 -9.015 -5.714 269 HD3 LYS 31 1HD LYS 31 11.070 -9.424 -5.984 270 HE2 LYS 31 2HE LYS 31 10.689 -7.043 -6.653 271 HE3 LYS 31 1HE LYS 31 12.433 -6.798 -6.561 272 HZ1 LYS 31 3HZ LYS 31 11.420 -7.348 -8.819 273 HZ2 LYS 31 1HZ LYS 31 11.278 -8.933 -8.244 274 HZ3 LYS 31 2HZ LYS 31 12.801 -8.205 -8.356 275 H LEU 32 H LEU 32 7.262 -8.069 -4.275 276 HA LEU 32 HA LEU 32 7.776 -5.725 -5.746 277 HG LEU 32 HG LEU 32 5.614 -8.562 -5.140 278 HB2 LEU 32 2HB LEU 32 4.924 -6.263 -5.284 279 HB3 LEU 32 1HB LEU 32 5.807 -6.062 -6.791 280 HD11 LEU 32 1HD1 LEU 32 4.711 -8.205 -7.968 281 HD12 LEU 32 2HD1 LEU 32 3.667 -7.775 -6.614 282 HD13 LEU 32 3HD1 LEU 32 4.237 -9.433 -6.794 283 HD21 LEU 32 3HD2 LEU 32 7.708 -8.845 -6.007 284 HD22 LEU 32 1HD2 LEU 32 7.395 -7.796 -7.388 285 HD23 LEU 32 2HD2 LEU 32 6.750 -9.436 -7.363 286 H ILE 33 H ILE 33 6.213 -6.294 -2.686 287 HA ILE 33 HA ILE 33 5.433 -3.504 -2.401 288 HB ILE 33 HB ILE 33 4.731 -4.303 -0.068 289 HG12 ILE 33 2HG1 ILE 33 5.105 -6.975 -1.434 290 HG13 ILE 33 1HG1 ILE 33 6.024 -6.376 -0.057 291 HG21 ILE 33 1HG2 ILE 33 3.063 -5.808 -1.933 292 HG22 ILE 33 2HG2 ILE 33 3.420 -4.160 -2.454 293 HG23 ILE 33 3HG2 ILE 33 2.664 -4.445 -0.885 294 HD11 ILE 33 3HD1 ILE 33 3.066 -6.828 -0.036 295 HD12 ILE 33 1HD1 ILE 33 4.109 -6.444 1.330 296 HD13 ILE 33 2HD1 ILE 33 4.260 -8.000 0.521 297 H ALA 34 H ALA 34 7.584 -5.847 -0.840 298 HA ALA 34 HA ALA 34 8.620 -4.136 1.110 299 HB1 ALA 34 1HB ALA 34 10.391 -5.748 1.383 300 HB2 ALA 34 2HB ALA 34 10.042 -6.453 -0.197 301 HB3 ALA 34 3HB ALA 34 8.870 -6.598 1.113 302 H ASN 35 H ASN 35 9.380 -4.530 -2.270 303 HA ASN 35 HA ASN 35 11.818 -2.982 -2.098 304 HB2 ASN 35 2HB ASN 35 11.742 -4.798 -3.698 305 HB3 ASN 35 1HB ASN 35 10.313 -4.108 -4.469 306 HD21 ASN 35 1HD2 ASN 35 10.963 -3.545 -6.429 307 HD22 ASN 35 2HD2 ASN 35 12.328 -2.549 -6.790 308 H ALA 36 H ALA 36 8.466 -2.401 -2.593 309 HA ALA 36 HA ALA 36 7.265 -0.497 -2.943 310 HB1 ALA 36 1HB ALA 36 9.854 0.977 -2.475 311 HB2 ALA 36 2HB ALA 36 8.830 0.342 -1.185 312 HB3 ALA 36 3HB ALA 36 8.214 1.590 -2.269 313 H LYS 37 H LYS 37 8.746 1.980 -4.100 314 HA LYS 37 HA LYS 37 9.517 2.767 -6.125 315 HB2 LYS 37 2HB LYS 37 10.151 0.178 -6.503 316 HB3 LYS 37 1HB LYS 37 8.848 0.334 -7.684 317 HG2 LYS 37 2HG LYS 37 10.523 0.974 -9.036 318 HG3 LYS 37 1HG LYS 37 10.275 2.541 -8.260 319 HD2 LYS 37 2HD LYS 37 12.143 0.560 -7.031 320 HD3 LYS 37 1HD LYS 37 12.674 1.515 -8.416 321 HE2 LYS 37 2HE LYS 37 13.104 3.220 -7.063 322 HE3 LYS 37 1HE LYS 37 11.403 3.280 -6.604 323 HZ1 LYS 37 3HZ LYS 37 11.815 2.300 -4.649 324 HZ2 LYS 37 1HZ LYS 37 13.415 2.785 -4.905 325 HZ3 LYS 37 2HZ LYS 37 12.937 1.210 -5.293 326 H THR 38 H THR 38 6.558 1.096 -5.581 327 HA THR 38 HA THR 38 5.177 3.045 -7.251 328 HB THR 38 HB THR 38 3.631 0.939 -7.830 329 HG1 THR 38 1HG THR 38 4.641 -0.905 -7.772 330 HG21 THR 38 3HG2 THR 38 4.181 1.689 -9.834 331 HG22 THR 38 1HG2 THR 38 5.609 0.657 -9.759 332 HG23 THR 38 2HG2 THR 38 5.709 2.339 -9.238 333 H VAL 39 H VAL 39 4.749 3.904 -5.115 334 HA VAL 39 HA VAL 39 3.632 2.797 -2.922 335 HB VAL 39 HB VAL 39 4.045 5.208 -3.145 336 HG11 VAL 39 1HG1 VAL 39 1.401 5.465 -4.532 337 HG12 VAL 39 2HG1 VAL 39 2.909 5.317 -5.431 338 HG13 VAL 39 3HG1 VAL 39 2.672 6.670 -4.331 339 HG21 VAL 39 3HG2 VAL 39 1.200 5.198 -2.374 340 HG22 VAL 39 1HG2 VAL 39 2.620 5.724 -1.472 341 HG23 VAL 39 2HG2 VAL 39 2.219 4.008 -1.565 342 H GLU 40 H GLU 40 1.749 3.734 -5.803 343 HA GLU 40 HA GLU 40 -0.743 2.899 -4.826 344 HB2 GLU 40 2HB GLU 40 -0.633 2.442 -7.665 345 HB3 GLU 40 1HB GLU 40 -1.494 3.687 -6.777 346 HG2 GLU 40 2HG GLU 40 0.585 5.039 -6.768 347 HG3 GLU 40 1HG GLU 40 1.333 3.819 -7.796 348 H GLY 41 H GLY 41 1.677 1.178 -6.772 349 HA2 GLY 41 2HA GLY 41 0.217 -1.249 -6.915 350 HA3 GLY 41 1HA GLY 41 1.942 -1.069 -7.183 351 H VAL 42 H VAL 42 2.667 -0.073 -4.618 352 HA VAL 42 HA VAL 42 3.226 -2.355 -3.206 353 HB VAL 42 HB VAL 42 2.680 0.307 -1.891 354 HG11 VAL 42 1HG1 VAL 42 4.932 -1.322 -0.994 355 HG12 VAL 42 2HG1 VAL 42 3.363 -2.101 -0.773 356 HG13 VAL 42 3HG1 VAL 42 3.669 -0.517 -0.060 357 HG21 VAL 42 3HG2 VAL 42 4.825 -0.554 -3.731 358 HG22 VAL 42 1HG2 VAL 42 5.337 0.320 -2.287 359 HG23 VAL 42 2HG2 VAL 42 4.188 1.056 -3.402 360 H TRP 43 H TRP 43 0.450 -0.172 -2.707 361 HA TRP 43 HA TRP 43 -0.685 -1.888 -0.706 362 HD1 TRP 43 HD TRP 43 -1.041 2.289 -2.774 363 HE1 TRP 43 1HE TRP 43 -2.705 2.822 -4.665 364 HE3 TRP 43 3HE TRP 43 -4.291 -1.608 -2.128 365 HZ2 TRP 43 2HZ TRP 43 -5.078 1.737 -5.740 366 HZ3 TRP 43 3HZ TRP 43 -6.232 -1.784 -3.628 367 HH2 TRP 43 HH TRP 43 -6.617 -0.145 -5.395 368 HB2 TRP 43 2HB TRP 43 -2.453 -0.321 -0.533 369 HB3 TRP 43 1HB TRP 43 -0.994 0.623 -0.807 370 H THR 44 H THR 44 -0.942 -1.605 -4.179 371 HA THR 44 HA THR 44 -3.420 -3.093 -4.296 372 HB THR 44 HB THR 44 -1.544 -2.718 -6.622 373 HG1 THR 44 1HG THR 44 -2.357 -0.690 -6.919 374 HG21 THR 44 3HG2 THR 44 -4.548 -2.737 -6.460 375 HG22 THR 44 1HG2 THR 44 -3.537 -4.070 -7.016 376 HG23 THR 44 2HG2 THR 44 -3.577 -2.558 -7.922 377 H LEU 45 H LEU 45 -0.002 -3.788 -4.806 378 HA LEU 45 HA LEU 45 -0.303 -6.446 -5.667 379 HB2 LEU 45 2HB LEU 45 1.927 -4.875 -4.438 380 HB3 LEU 45 1HB LEU 45 2.092 -6.612 -4.600 381 HD11 LEU 45 1HD1 LEU 45 0.482 -6.523 -7.496 382 HD12 LEU 45 2HD1 LEU 45 1.698 -7.624 -6.849 383 HD13 LEU 45 3HD1 LEU 45 2.053 -6.663 -8.284 384 HD21 LEU 45 3HD2 LEU 45 0.634 -4.008 -6.733 385 HD22 LEU 45 1HD2 LEU 45 1.781 -4.183 -8.061 386 HD23 LEU 45 2HD2 LEU 45 2.292 -3.433 -6.550 387 H LYS 46 H LYS 46 -0.208 -4.939 -2.524 388 HA LYS 46 HA LYS 46 0.067 -7.320 -0.997 389 HB2 LYS 46 2HB LYS 46 0.621 -5.281 0.079 390 HB3 LYS 46 1HB LYS 46 -0.893 -4.528 -0.383 391 HG2 LYS 46 2HG LYS 46 -2.034 -6.222 1.116 392 HG3 LYS 46 1HG LYS 46 -0.424 -6.601 1.734 393 HD2 LYS 46 2HD LYS 46 -0.873 -4.965 3.219 394 HD3 LYS 46 1HD LYS 46 -0.422 -3.890 1.893 395 HE2 LYS 46 2HE LYS 46 -2.918 -4.071 1.227 396 HE3 LYS 46 1HE LYS 46 -3.148 -4.642 2.879 397 HZ1 LYS 46 3HZ LYS 46 -2.584 -1.984 1.910 398 HZ2 LYS 46 1HZ LYS 46 -1.647 -2.442 3.242 399 HZ3 LYS 46 2HZ LYS 46 -3.335 -2.477 3.344 400 H ASP 47 H ASP 47 -2.759 -5.195 -1.450 401 HA ASP 47 HA ASP 47 -4.663 -6.909 -0.357 402 HB2 ASP 47 2HB ASP 47 -4.801 -4.659 -2.335 403 HB3 ASP 47 1HB ASP 47 -6.240 -5.622 -2.013 404 H GLU 48 H GLU 48 -3.152 -6.894 -3.482 405 HA GLU 48 HA GLU 48 -5.026 -8.719 -4.682 406 HB2 GLU 48 2HB GLU 48 -3.649 -6.980 -5.922 407 HB3 GLU 48 1HB GLU 48 -2.260 -8.032 -5.676 408 HG2 GLU 48 2HG GLU 48 -3.414 -9.819 -6.897 409 HG3 GLU 48 1HG GLU 48 -4.777 -8.734 -7.170 410 H ILE 49 H ILE 49 -1.589 -8.947 -3.696 411 HA ILE 49 HA ILE 49 -1.356 -11.690 -4.161 412 HB ILE 49 HB ILE 49 0.611 -10.270 -3.805 413 HG12 ILE 49 2HG1 ILE 49 1.909 -11.886 -2.526 414 HG13 ILE 49 1HG1 ILE 49 0.441 -12.522 -1.797 415 HG21 ILE 49 1HG2 ILE 49 -0.546 -9.124 -1.763 416 HG22 ILE 49 2HG2 ILE 49 1.211 -9.266 -1.856 417 HG23 ILE 49 3HG2 ILE 49 0.283 -10.390 -0.859 418 HD11 ILE 49 3HD1 ILE 49 -0.304 -13.240 -4.043 419 HD12 ILE 49 1HD1 ILE 49 1.185 -14.017 -3.509 420 HD13 ILE 49 2HD1 ILE 49 1.245 -12.708 -4.685 421 H LEU 50 H LEU 50 -2.901 -9.983 -1.590 422 HA LEU 50 HA LEU 50 -2.920 -12.261 0.190 423 HG LEU 50 HG LEU 50 -4.197 -11.906 2.289 424 HB2 LEU 50 2HB LEU 50 -3.211 -9.605 0.631 425 HB3 LEU 50 1HB LEU 50 -4.897 -10.094 0.576 426 HD11 LEU 50 1HD1 LEU 50 -2.324 -10.861 3.750 427 HD12 LEU 50 2HD1 LEU 50 -1.843 -10.077 2.246 428 HD13 LEU 50 3HD1 LEU 50 -1.893 -11.837 2.346 429 HD21 LEU 50 3HD2 LEU 50 -5.681 -10.048 2.805 430 HD22 LEU 50 1HD2 LEU 50 -4.293 -8.982 3.030 431 HD23 LEU 50 2HD2 LEU 50 -4.557 -10.330 4.136 432 H THR 51 H THR 51 -4.963 -10.794 -2.236 433 HA THR 51 HA THR 51 -7.364 -12.135 -1.737 434 HB THR 51 HB THR 51 -6.148 -11.126 -4.308 435 HG1 THR 51 1HG THR 51 -7.291 -9.352 -3.908 436 HG21 THR 51 3HG2 THR 51 -8.461 -11.156 -5.212 437 HG22 THR 51 1HG2 THR 51 -8.916 -12.176 -3.853 438 HG23 THR 51 2HG2 THR 51 -7.731 -12.750 -5.018 439 H PHE 52 H PHE 52 -4.397 -13.234 -3.245 440 HA PHE 52 HA PHE 52 -5.613 -15.631 -4.296 441 HD1 PHE 52 2HD PHE 52 -1.603 -14.263 -3.056 442 HD2 PHE 52 1HD PHE 52 -2.754 -17.778 -5.140 443 HE1 PHE 52 2HE PHE 52 0.402 -15.399 -2.202 444 HE2 PHE 52 1HE PHE 52 -0.752 -18.935 -4.298 445 HZ PHE 52 HZ PHE 52 0.829 -17.748 -2.827 446 HB2 PHE 52 2HB PHE 52 -3.804 -15.673 -5.611 447 HB3 PHE 52 1HB PHE 52 -3.267 -14.190 -4.840 448 H THR 53 H THR 53 -5.322 -14.845 -1.278 449 HA THR 53 HA THR 53 -4.845 -17.576 -0.429 450 HB THR 53 HB THR 53 -2.639 -16.268 -0.300 451 HG1 THR 53 1HG THR 53 -2.109 -17.348 1.577 452 HG21 THR 53 3HG2 THR 53 -3.143 -15.326 2.354 453 HG22 THR 53 1HG2 THR 53 -4.162 -14.477 1.200 454 HG23 THR 53 2HG2 THR 53 -2.414 -14.489 0.984 455 H VAL 54 H VAL 54 -7.273 -16.633 -0.505 456 HA VAL 54 HA VAL 54 -7.899 -15.936 2.289 457 HB VAL 54 HB VAL 54 -9.536 -15.089 -0.100 458 HG11 VAL 54 1HG1 VAL 54 -10.617 -13.600 1.544 459 HG12 VAL 54 2HG1 VAL 54 -9.642 -14.329 2.818 460 HG13 VAL 54 3HG1 VAL 54 -10.818 -15.306 1.941 461 HG21 VAL 54 3HG2 VAL 54 -8.669 -12.784 0.505 462 HG22 VAL 54 1HG2 VAL 54 -7.539 -13.867 -0.304 463 HG23 VAL 54 2HG2 VAL 54 -7.422 -13.611 1.438 464 H THR 55 H THR 55 -8.575 -17.788 3.152 465 HA THR 55 HA THR 55 -9.697 -19.728 3.496 466 HB THR 55 HB THR 55 -12.121 -19.661 2.532 467 HG1 THR 55 1HG THR 55 -12.565 -18.013 1.346 468 HG21 THR 55 3HG2 THR 55 -12.719 -18.892 4.520 469 HG22 THR 55 1HG2 THR 55 -12.005 -17.312 4.196 470 HG23 THR 55 2HG2 THR 55 -10.999 -18.615 4.836 471 H GLU 56 H GLU 56 -11.287 -19.231 0.383 472 HA GLU 56 HA GLU 56 -9.675 -21.376 -0.783 473 HB2 GLU 56 2HB GLU 56 -12.691 -21.312 -0.759 474 HB3 GLU 56 1HB GLU 56 -11.721 -22.448 -1.678 475 HG2 GLU 56 2HG GLU 56 -11.411 -23.767 0.082 476 HG3 GLU 56 1HG GLU 56 -10.998 -22.409 1.129 Start of MODEL 13 1 HA THR 1 HA THR 1 -1.499 20.323 0.352 2 HB THR 1 HB THR 1 -1.616 18.544 -2.092 3 HG1 THR 1 1HG THR 1 -2.117 20.315 -3.081 4 H1 THR 1 1HT THR 1 0.668 20.880 -0.363 5 H2 THR 1 2HT THR 1 -0.467 21.287 -1.577 6 H3 THR 1 3HT THR 1 0.510 19.890 -1.755 7 HG21 THR 1 1HG2 THR 1 -3.186 17.557 -0.822 8 HG22 THR 1 2HG2 THR 1 -4.165 18.912 -1.371 9 HG23 THR 1 3HG2 THR 1 -3.395 18.969 0.213 10 H THR 2 H THR 2 0.963 19.635 1.177 11 HA THR 2 HA THR 2 0.564 17.032 2.265 12 HB THR 2 HB THR 2 3.051 16.510 1.205 13 HG1 THR 2 1HG THR 2 2.762 16.851 -1.045 14 HG21 THR 2 3HG2 THR 2 0.534 15.629 -0.161 15 HG22 THR 2 1HG2 THR 2 1.033 14.995 1.412 16 HG23 THR 2 2HG2 THR 2 2.064 14.769 -0.001 17 H TYR 3 H TYR 3 3.246 19.240 1.440 18 HA TYR 3 HA TYR 3 4.873 20.206 2.702 19 HD1 TYR 3 2HD TYR 3 5.710 21.803 5.196 20 HD2 TYR 3 1HD TYR 3 2.109 22.522 3.051 21 HE1 TYR 3 2HE TYR 3 6.335 24.166 4.956 22 HE2 TYR 3 1HE TYR 3 2.722 24.890 2.800 23 HH TYR 3 HH TYR 3 4.860 26.246 2.791 24 HB2 TYR 3 2HB TYR 3 2.419 20.462 4.163 25 HB3 TYR 3 1HB TYR 3 3.741 20.230 5.296 26 H LYS 4 H LYS 4 4.561 17.204 2.603 27 HA LYS 4 HA LYS 4 6.659 16.612 4.483 28 HB2 LYS 4 2HB LYS 4 4.589 16.386 5.865 29 HB3 LYS 4 1HB LYS 4 4.036 15.138 4.757 30 HG2 LYS 4 2HG LYS 4 6.425 14.119 5.374 31 HG3 LYS 4 1HG LYS 4 6.116 15.040 6.853 32 HD2 LYS 4 2HD LYS 4 5.269 12.829 7.183 33 HD3 LYS 4 1HD LYS 4 3.886 13.907 6.986 34 HE2 LYS 4 2HE LYS 4 4.286 13.184 4.426 35 HE3 LYS 4 1HE LYS 4 4.855 11.731 5.252 36 HZ1 LYS 4 3HZ LYS 4 2.310 12.161 4.633 37 HZ2 LYS 4 1HZ LYS 4 2.333 12.822 6.191 38 HZ3 LYS 4 2HZ LYS 4 2.797 11.213 5.961 39 H LEU 5 H LEU 5 4.228 15.277 2.266 40 HA LEU 5 HA LEU 5 4.374 13.792 0.564 41 HG LEU 5 HG LEU 5 5.048 14.570 -1.396 42 HB2 LEU 5 2HB LEU 5 7.092 14.918 0.754 43 HB3 LEU 5 1HB LEU 5 6.984 13.373 -0.069 44 HD11 LEU 5 1HD1 LEU 5 4.795 16.664 -0.574 45 HD12 LEU 5 2HD1 LEU 5 6.091 17.006 -1.719 46 HD13 LEU 5 3HD1 LEU 5 6.463 16.769 -0.013 47 HD21 LEU 5 3HD2 LEU 5 7.002 15.571 -2.871 48 HD22 LEU 5 1HD2 LEU 5 6.748 13.829 -2.722 49 HD23 LEU 5 2HD2 LEU 5 7.996 14.622 -1.760 50 H ILE 6 H ILE 6 4.473 11.608 0.300 51 HA ILE 6 HA ILE 6 6.261 9.845 1.518 52 HB ILE 6 HB ILE 6 5.232 10.596 3.629 53 HG12 ILE 6 2HG1 ILE 6 4.204 8.068 4.028 54 HG13 ILE 6 1HG1 ILE 6 5.282 7.844 2.653 55 HG21 ILE 6 1HG2 ILE 6 2.684 9.408 2.539 56 HG22 ILE 6 2HG2 ILE 6 3.003 11.127 2.752 57 HG23 ILE 6 3HG2 ILE 6 2.923 10.066 4.157 58 HD11 ILE 6 3HD1 ILE 6 6.327 9.377 4.956 59 HD12 ILE 6 1HD1 ILE 6 7.142 8.247 3.876 60 HD13 ILE 6 2HD1 ILE 6 6.101 7.639 5.160 61 H LEU 7 H LEU 7 2.873 10.286 0.606 62 HA LEU 7 HA LEU 7 1.575 9.222 -0.924 63 HG LEU 7 HG LEU 7 4.049 8.814 -3.666 64 HB2 LEU 7 2HB LEU 7 4.065 7.622 -1.494 65 HB3 LEU 7 1HB LEU 7 2.563 7.445 -2.372 66 HD11 LEU 7 1HD1 LEU 7 1.663 9.415 -3.658 67 HD12 LEU 7 2HD1 LEU 7 2.712 10.795 -3.957 68 HD13 LEU 7 3HD1 LEU 7 1.979 10.576 -2.370 69 HD21 LEU 7 3HD2 LEU 7 4.168 10.813 -1.431 70 HD22 LEU 7 1HD2 LEU 7 5.147 10.732 -2.892 71 HD23 LEU 7 2HD2 LEU 7 5.378 9.541 -1.619 72 H ASN 8 H ASN 8 3.135 7.579 1.637 73 HA ASN 8 HA ASN 8 2.288 6.029 3.092 74 HB2 ASN 8 2HB ASN 8 -0.015 6.789 1.748 75 HB3 ASN 8 1HB ASN 8 0.039 5.047 1.499 76 HD21 ASN 8 1HD2 ASN 8 -0.525 7.585 3.712 77 HD22 ASN 8 2HD2 ASN 8 -0.930 6.611 5.080 78 H LEU 9 H LEU 9 4.156 5.576 1.030 79 HA LEU 9 HA LEU 9 3.636 2.962 -0.090 80 HG LEU 9 HG LEU 9 7.020 3.522 -1.887 81 HB2 LEU 9 2HB LEU 9 4.837 4.267 -1.561 82 HB3 LEU 9 1HB LEU 9 5.758 5.042 -0.284 83 HD11 LEU 9 1HD1 LEU 9 7.505 2.467 0.815 84 HD12 LEU 9 2HD1 LEU 9 7.493 4.223 0.654 85 HD13 LEU 9 3HD1 LEU 9 8.603 3.256 -0.317 86 HD21 LEU 9 3HD2 LEU 9 6.129 1.506 -2.208 87 HD22 LEU 9 1HD2 LEU 9 5.127 1.614 -0.764 88 HD23 LEU 9 2HD2 LEU 9 6.803 1.084 -0.636 89 H LYS 10 H LYS 10 5.895 4.393 2.239 90 HA LYS 10 HA LYS 10 7.282 2.097 2.955 91 HB2 LYS 10 2HB LYS 10 7.015 4.789 3.930 92 HB3 LYS 10 1HB LYS 10 7.050 3.670 5.285 93 HG2 LYS 10 2HG LYS 10 9.175 2.883 4.736 94 HG3 LYS 10 1HG LYS 10 9.084 3.517 3.092 95 HD2 LYS 10 2HD LYS 10 10.453 5.079 4.069 96 HD3 LYS 10 1HD LYS 10 8.876 5.823 4.336 97 HE2 LYS 10 2HE LYS 10 9.145 5.735 6.532 98 HE3 LYS 10 1HE LYS 10 9.488 4.010 6.478 99 HZ1 LYS 10 3HZ LYS 10 11.255 5.822 7.262 100 HZ2 LYS 10 1HZ LYS 10 11.641 5.763 5.620 101 HZ3 LYS 10 2HZ LYS 10 11.695 4.352 6.552 102 H GLN 11 H GLN 11 4.181 3.319 4.065 103 HA GLN 11 HA GLN 11 3.960 1.254 6.086 104 HB2 GLN 11 2HB GLN 11 2.943 3.785 5.906 105 HB3 GLN 11 1HB GLN 11 1.556 2.817 5.428 106 HG2 GLN 11 2HG GLN 11 1.152 2.703 7.618 107 HG3 GLN 11 1HG GLN 11 2.411 1.469 7.620 108 HE21 GLN 11 1HE2 GLN 11 3.368 1.774 9.522 109 HE22 GLN 11 2HE2 GLN 11 4.083 3.257 10.046 110 H ALA 12 H ALA 12 2.607 2.029 2.933 111 HA ALA 12 HA ALA 12 0.587 0.121 2.816 112 HB1 ALA 12 1HB ALA 12 2.247 1.507 0.765 113 HB2 ALA 12 2HB ALA 12 0.510 1.593 1.053 114 HB3 ALA 12 3HB ALA 12 1.205 0.174 0.269 115 H LYS 13 H LYS 13 4.046 -0.170 2.240 116 HA LYS 13 HA LYS 13 3.768 -2.945 1.456 117 HB2 LYS 13 2HB LYS 13 5.916 -2.871 0.698 118 HB3 LYS 13 1HB LYS 13 5.525 -1.163 0.617 119 HG2 LYS 13 2HG LYS 13 6.678 -1.915 3.184 120 HG3 LYS 13 1HG LYS 13 7.730 -2.266 1.814 121 HD2 LYS 13 2HD LYS 13 7.032 0.121 1.037 122 HD3 LYS 13 1HD LYS 13 6.640 0.345 2.740 123 HE2 LYS 13 2HE LYS 13 9.314 -0.503 1.633 124 HE3 LYS 13 1HE LYS 13 8.914 1.096 2.255 125 HZ1 LYS 13 3HZ LYS 13 8.716 -1.362 3.897 126 HZ2 LYS 13 1HZ LYS 13 8.677 0.245 4.426 127 HZ3 LYS 13 2HZ LYS 13 10.115 -0.415 3.828 128 H GLU 14 H GLU 14 4.754 -1.096 4.272 129 HA GLU 14 HA GLU 14 5.887 -3.182 5.774 130 HB2 GLU 14 2HB GLU 14 4.559 -0.586 6.468 131 HB3 GLU 14 1HB GLU 14 4.924 -1.730 7.752 132 HG2 GLU 14 2HG GLU 14 7.150 -1.209 5.922 133 HG3 GLU 14 1HG GLU 14 6.610 0.191 6.846 134 H GLU 15 H GLU 15 2.558 -1.944 5.662 135 HA GLU 15 HA GLU 15 1.447 -3.884 7.397 136 HB2 GLU 15 2HB GLU 15 0.274 -1.794 6.822 137 HB3 GLU 15 1HB GLU 15 0.142 -2.329 5.150 138 HG2 GLU 15 2HG GLU 15 -1.856 -3.109 5.724 139 HG3 GLU 15 1HG GLU 15 -0.979 -4.414 6.525 140 H ALA 16 H ALA 16 2.051 -3.707 3.961 141 HA ALA 16 HA ALA 16 0.639 -6.008 3.184 142 HB1 ALA 16 1HB ALA 16 1.444 -4.236 1.640 143 HB2 ALA 16 2HB ALA 16 1.861 -5.867 1.123 144 HB3 ALA 16 3HB ALA 16 3.085 -4.839 1.867 145 H ILE 17 H ILE 17 3.877 -5.484 4.442 146 HA ILE 17 HA ILE 17 4.978 -7.998 3.875 147 HB ILE 17 HB ILE 17 5.595 -5.795 5.742 148 HG12 ILE 17 2HG1 ILE 17 7.856 -6.159 4.878 149 HG13 ILE 17 1HG1 ILE 17 7.331 -7.644 4.093 150 HG21 ILE 17 1HG2 ILE 17 6.395 -8.624 6.374 151 HG22 ILE 17 2HG2 ILE 17 5.623 -7.443 7.433 152 HG23 ILE 17 3HG2 ILE 17 7.303 -7.224 6.947 153 HD11 ILE 17 3HD1 ILE 17 5.648 -6.108 2.871 154 HD12 ILE 17 1HD1 ILE 17 7.336 -6.129 2.362 155 HD13 ILE 17 2HD1 ILE 17 6.735 -4.813 3.372 156 H LYS 18 H LYS 18 3.159 -6.817 6.681 157 HA LYS 18 HA LYS 18 3.151 -9.250 8.111 158 HB2 LYS 18 2HB LYS 18 1.382 -6.815 8.156 159 HB3 LYS 18 1HB LYS 18 1.025 -8.214 9.158 160 HG2 LYS 18 2HG LYS 18 3.783 -7.474 9.448 161 HG3 LYS 18 1HG LYS 18 2.737 -6.082 9.741 162 HD2 LYS 18 2HD LYS 18 2.402 -8.783 11.043 163 HD3 LYS 18 1HD LYS 18 3.224 -7.408 11.785 164 HE2 LYS 18 2HE LYS 18 1.274 -6.224 12.070 165 HE3 LYS 18 1HE LYS 18 0.453 -7.049 10.745 166 HZ1 LYS 18 3HZ LYS 18 0.829 -9.073 12.421 167 HZ2 LYS 18 1HZ LYS 18 -0.555 -8.102 12.443 168 HZ3 LYS 18 2HZ LYS 18 0.700 -7.811 13.538 169 H GLU 19 H GLU 19 1.164 -7.960 5.545 170 HA GLU 19 HA GLU 19 -1.026 -9.691 5.668 171 HB2 GLU 19 2HB GLU 19 0.094 -7.798 3.792 172 HB3 GLU 19 1HB GLU 19 -0.512 -9.209 2.941 173 HG2 GLU 19 2HG GLU 19 -2.192 -7.458 3.091 174 HG3 GLU 19 1HG GLU 19 -2.695 -8.910 3.960 175 H LEU 20 H LEU 20 1.966 -10.018 3.749 176 HA LEU 20 HA LEU 20 1.237 -12.662 2.924 177 HG LEU 20 HG LEU 20 2.358 -13.576 1.286 178 HB2 LEU 20 2HB LEU 20 2.943 -10.822 1.904 179 HB3 LEU 20 1HB LEU 20 4.077 -11.869 2.736 180 HD11 LEU 20 1HD1 LEU 20 1.798 -11.449 0.034 181 HD12 LEU 20 2HD1 LEU 20 2.372 -12.811 -0.927 182 HD13 LEU 20 3HD1 LEU 20 3.463 -11.478 -0.548 183 HD21 LEU 20 3HD2 LEU 20 5.067 -13.237 1.745 184 HD22 LEU 20 1HD2 LEU 20 4.894 -13.083 -0.003 185 HD23 LEU 20 2HD2 LEU 20 4.306 -14.527 0.817 186 H VAL 21 H VAL 21 3.115 -11.257 5.509 187 HA VAL 21 HA VAL 21 4.511 -13.576 6.309 188 HB VAL 21 HB VAL 21 3.612 -11.174 7.908 189 HG11 VAL 21 1HG1 VAL 21 5.640 -12.182 9.364 190 HG12 VAL 21 2HG1 VAL 21 4.919 -13.677 8.767 191 HG13 VAL 21 3HG1 VAL 21 3.941 -12.531 9.686 192 HG21 VAL 21 3HG2 VAL 21 5.581 -10.200 7.379 193 HG22 VAL 21 1HG2 VAL 21 5.492 -11.274 5.984 194 HG23 VAL 21 2HG2 VAL 21 6.463 -11.727 7.385 195 H ASP 22 H ASP 22 1.261 -12.443 6.812 196 HA ASP 22 HA ASP 22 0.699 -14.521 8.748 197 HB2 ASP 22 2HB ASP 22 -0.646 -12.085 7.807 198 HB3 ASP 22 1HB ASP 22 -1.743 -13.439 8.073 199 H ALA 23 H ALA 23 -0.008 -13.721 5.378 200 HA ALA 23 HA ALA 23 -1.694 -16.004 4.950 201 HB1 ALA 23 1HB ALA 23 -0.308 -14.154 3.012 202 HB2 ALA 23 2HB ALA 23 -1.986 -14.072 3.550 203 HB3 ALA 23 3HB ALA 23 -1.446 -15.418 2.545 204 H GLY 24 H GLY 24 1.657 -15.549 5.199 205 HA2 GLY 24 2HA GLY 24 3.496 -16.820 4.665 206 HA3 GLY 24 1HA GLY 24 2.443 -18.134 5.171 207 H ILE 25 H ILE 25 3.428 -16.211 2.347 208 HA ILE 25 HA ILE 25 3.256 -18.641 0.740 209 HB ILE 25 HB ILE 25 2.329 -16.277 -0.750 210 HG12 ILE 25 2HG1 ILE 25 -0.095 -17.064 0.168 211 HG13 ILE 25 1HG1 ILE 25 0.854 -17.247 1.636 212 HG21 ILE 25 1HG2 ILE 25 2.046 -19.189 -0.755 213 HG22 ILE 25 2HG2 ILE 25 2.076 -18.046 -2.098 214 HG23 ILE 25 3HG2 ILE 25 0.579 -18.320 -1.208 215 HD11 ILE 25 3HD1 ILE 25 1.199 -14.720 0.162 216 HD12 ILE 25 1HD1 ILE 25 1.119 -15.025 1.898 217 HD13 ILE 25 2HD1 ILE 25 -0.362 -14.981 0.940 218 H ALA 26 H ALA 26 3.938 -17.718 -1.701 219 HA ALA 26 HA ALA 26 6.641 -17.535 -1.700 220 HB1 ALA 26 1HB ALA 26 5.547 -17.962 -3.749 221 HB2 ALA 26 2HB ALA 26 6.420 -16.442 -3.970 222 HB3 ALA 26 3HB ALA 26 4.675 -16.429 -3.686 223 H GLU 27 H GLU 27 7.623 -16.185 -0.289 224 HA GLU 27 HA GLU 27 7.026 -13.620 0.428 225 HB2 GLU 27 2HB GLU 27 9.502 -13.308 0.796 226 HB3 GLU 27 1HB GLU 27 8.808 -14.741 1.541 227 HG2 GLU 27 2HG GLU 27 9.683 -16.132 -0.224 228 HG3 GLU 27 1HG GLU 27 10.292 -14.714 -1.076 229 H LYS 28 H LYS 28 8.263 -14.708 -2.597 230 HA LYS 28 HA LYS 28 9.553 -12.625 -3.764 231 HB2 LYS 28 2HB LYS 28 7.669 -14.673 -4.769 232 HB3 LYS 28 1HB LYS 28 7.843 -13.264 -5.799 233 HG2 LYS 28 2HG LYS 28 9.339 -15.221 -6.313 234 HG3 LYS 28 1HG LYS 28 10.139 -13.655 -6.136 235 HD2 LYS 28 2HD LYS 28 10.000 -14.958 -3.582 236 HD3 LYS 28 1HD LYS 28 10.698 -16.060 -4.769 237 HE2 LYS 28 2HE LYS 28 11.700 -13.297 -4.873 238 HE3 LYS 28 1HE LYS 28 12.102 -14.184 -3.405 239 HZ1 LYS 28 3HZ LYS 28 13.542 -14.302 -5.636 240 HZ2 LYS 28 1HZ LYS 28 12.509 -15.616 -5.898 241 HZ3 LYS 28 2HZ LYS 28 13.474 -15.562 -4.509 242 H TYR 29 H TYR 29 6.035 -12.914 -3.424 243 HA TYR 29 HA TYR 29 5.347 -10.522 -4.685 244 HD1 TYR 29 1HD TYR 29 3.449 -11.326 -6.107 245 HD2 TYR 29 2HD TYR 29 3.554 -14.156 -2.930 246 HE1 TYR 29 1HE TYR 29 2.834 -13.110 -7.683 247 HE2 TYR 29 2HE TYR 29 2.940 -15.947 -4.499 248 HH TYR 29 HH TYR 29 1.567 -15.821 -6.990 249 HB2 TYR 29 2HB TYR 29 3.881 -11.919 -2.442 250 HB3 TYR 29 1HB TYR 29 3.197 -10.718 -3.539 251 H ILE 30 H ILE 30 6.457 -11.202 -1.448 252 HA ILE 30 HA ILE 30 5.796 -8.733 -0.251 253 HB ILE 30 HB ILE 30 8.224 -10.415 0.397 254 HG12 ILE 30 2HG1 ILE 30 5.385 -10.673 1.409 255 HG13 ILE 30 1HG1 ILE 30 6.253 -11.841 0.421 256 HG21 ILE 30 1HG2 ILE 30 6.797 -9.069 2.558 257 HG22 ILE 30 2HG2 ILE 30 7.479 -7.964 1.366 258 HG23 ILE 30 3HG2 ILE 30 8.521 -9.119 2.194 259 HD11 ILE 30 3HD1 ILE 30 6.967 -12.832 2.260 260 HD12 ILE 30 1HD1 ILE 30 6.161 -11.612 3.249 261 HD13 ILE 30 2HD1 ILE 30 7.822 -11.356 2.714 262 H LYS 31 H LYS 31 8.275 -9.732 -2.470 263 HA LYS 31 HA LYS 31 9.996 -7.492 -2.026 264 HB2 LYS 31 2HB LYS 31 10.894 -9.558 -2.963 265 HB3 LYS 31 1HB LYS 31 9.845 -9.402 -4.366 266 HG2 LYS 31 2HG LYS 31 11.116 -7.037 -4.490 267 HG3 LYS 31 1HG LYS 31 12.365 -8.021 -3.721 268 HD2 LYS 31 2HD LYS 31 12.446 -9.523 -5.528 269 HD3 LYS 31 1HD LYS 31 10.917 -8.940 -6.188 270 HE2 LYS 31 2HE LYS 31 13.020 -6.904 -5.930 271 HE3 LYS 31 1HE LYS 31 13.370 -8.192 -7.083 272 HZ1 LYS 31 3HZ LYS 31 11.973 -7.289 -8.525 273 HZ2 LYS 31 1HZ LYS 31 11.765 -5.975 -7.478 274 HZ3 LYS 31 2HZ LYS 31 10.707 -7.293 -7.404 275 H LEU 32 H LEU 32 7.316 -8.200 -4.227 276 HA LEU 32 HA LEU 32 7.706 -5.989 -5.932 277 HG LEU 32 HG LEU 32 5.659 -8.785 -4.886 278 HB2 LEU 32 2HB LEU 32 4.881 -6.539 -5.513 279 HB3 LEU 32 1HB LEU 32 5.841 -6.638 -6.982 280 HD11 LEU 32 1HD1 LEU 32 3.743 -9.365 -5.822 281 HD12 LEU 32 2HD1 LEU 32 4.616 -9.673 -7.323 282 HD13 LEU 32 3HD1 LEU 32 3.896 -8.090 -7.031 283 HD21 LEU 32 3HD2 LEU 32 6.692 -10.151 -6.761 284 HD22 LEU 32 1HD2 LEU 32 7.754 -9.006 -5.943 285 HD23 LEU 32 2HD2 LEU 32 7.081 -8.610 -7.525 286 H ILE 33 H ILE 33 6.201 -6.338 -2.815 287 HA ILE 33 HA ILE 33 5.274 -3.571 -2.819 288 HB ILE 33 HB ILE 33 4.657 -4.247 -0.367 289 HG12 ILE 33 2HG1 ILE 33 4.766 -6.950 -1.713 290 HG13 ILE 33 1HG1 ILE 33 5.895 -6.396 -0.481 291 HG21 ILE 33 1HG2 ILE 33 3.315 -4.264 -2.836 292 HG22 ILE 33 2HG2 ILE 33 2.628 -4.097 -1.221 293 HG23 ILE 33 3HG2 ILE 33 2.778 -5.694 -1.953 294 HD11 ILE 33 3HD1 ILE 33 4.134 -6.247 1.125 295 HD12 ILE 33 1HD1 ILE 33 4.145 -7.856 0.402 296 HD13 ILE 33 2HD1 ILE 33 2.940 -6.672 -0.104 297 H ALA 34 H ALA 34 7.535 -5.653 -1.060 298 HA ALA 34 HA ALA 34 8.468 -3.738 0.747 299 HB1 ALA 34 1HB ALA 34 9.998 -6.082 -0.378 300 HB2 ALA 34 2HB ALA 34 8.873 -6.152 0.981 301 HB3 ALA 34 3HB ALA 34 10.357 -5.209 1.114 302 H ASN 35 H ASN 35 9.294 -4.380 -2.587 303 HA ASN 35 HA ASN 35 11.647 -2.717 -2.538 304 HB2 ASN 35 2HB ASN 35 11.659 -4.593 -4.033 305 HB3 ASN 35 1HB ASN 35 10.153 -4.073 -4.790 306 HD21 ASN 35 1HD2 ASN 35 10.843 -3.790 -6.834 307 HD22 ASN 35 2HD2 ASN 35 12.053 -2.653 -7.311 308 H ALA 36 H ALA 36 8.426 -2.024 -2.467 309 HA ALA 36 HA ALA 36 7.129 -0.231 -3.004 310 HB1 ALA 36 1HB ALA 36 8.763 0.746 -1.431 311 HB2 ALA 36 2HB ALA 36 8.148 1.921 -2.593 312 HB3 ALA 36 3HB ALA 36 9.759 1.234 -2.801 313 H LYS 37 H LYS 37 8.787 2.119 -4.451 314 HA LYS 37 HA LYS 37 9.193 2.823 -6.574 315 HB2 LYS 37 2HB LYS 37 9.620 0.000 -6.780 316 HB3 LYS 37 1HB LYS 37 8.767 0.552 -8.221 317 HG2 LYS 37 2HG LYS 37 11.094 2.146 -7.309 318 HG3 LYS 37 1HG LYS 37 11.409 0.566 -8.028 319 HD2 LYS 37 2HD LYS 37 9.488 2.300 -9.456 320 HD3 LYS 37 1HD LYS 37 11.171 2.826 -9.463 321 HE2 LYS 37 2HE LYS 37 10.595 -0.026 -10.070 322 HE3 LYS 37 1HE LYS 37 10.206 1.177 -11.301 323 HZ1 LYS 37 3HZ LYS 37 12.671 1.926 -10.594 324 HZ2 LYS 37 1HZ LYS 37 12.338 0.873 -11.877 325 HZ3 LYS 37 2HZ LYS 37 12.787 0.253 -10.369 326 H THR 38 H THR 38 6.339 1.485 -5.496 327 HA THR 38 HA THR 38 4.805 3.006 -7.375 328 HB THR 38 HB THR 38 3.368 0.747 -7.690 329 HG1 THR 38 1HG THR 38 6.062 -0.128 -7.743 330 HG21 THR 38 3HG2 THR 38 5.643 0.944 -9.563 331 HG22 THR 38 1HG2 THR 38 4.596 2.355 -9.403 332 HG23 THR 38 2HG2 THR 38 3.915 0.799 -9.880 333 H VAL 39 H VAL 39 4.604 3.904 -5.137 334 HA VAL 39 HA VAL 39 3.525 2.823 -2.913 335 HB VAL 39 HB VAL 39 4.040 5.211 -3.122 336 HG11 VAL 39 1HG1 VAL 39 2.803 5.393 -5.353 337 HG12 VAL 39 2HG1 VAL 39 2.704 6.760 -4.239 338 HG13 VAL 39 3HG1 VAL 39 1.352 5.635 -4.379 339 HG21 VAL 39 3HG2 VAL 39 2.094 4.045 -1.558 340 HG22 VAL 39 1HG2 VAL 39 1.288 5.473 -2.209 341 HG23 VAL 39 2HG2 VAL 39 2.800 5.643 -1.317 342 H GLU 40 H GLU 40 1.524 3.902 -5.685 343 HA GLU 40 HA GLU 40 -0.933 3.102 -4.572 344 HB2 GLU 40 2HB GLU 40 0.022 4.040 -7.155 345 HB3 GLU 40 1HB GLU 40 -1.217 2.802 -7.336 346 HG2 GLU 40 2HG GLU 40 -1.445 5.394 -5.829 347 HG3 GLU 40 1HG GLU 40 -2.252 4.947 -7.329 348 H GLY 41 H GLY 41 1.394 1.400 -6.634 349 HA2 GLY 41 2HA GLY 41 -0.142 -0.976 -6.895 350 HA3 GLY 41 1HA GLY 41 1.591 -0.833 -7.156 351 H VAL 42 H VAL 42 2.472 -0.051 -4.655 352 HA VAL 42 HA VAL 42 2.871 -2.383 -3.275 353 HB VAL 42 HB VAL 42 2.599 0.288 -1.896 354 HG11 VAL 42 1HG1 VAL 42 4.808 -1.449 -1.165 355 HG12 VAL 42 2HG1 VAL 42 3.237 -2.216 -0.917 356 HG13 VAL 42 3HG1 VAL 42 3.595 -0.671 -0.144 357 HG21 VAL 42 3HG2 VAL 42 4.235 1.095 -3.166 358 HG22 VAL 42 1HG2 VAL 42 4.319 -0.415 -4.067 359 HG23 VAL 42 2HG2 VAL 42 5.286 -0.204 -2.609 360 H TRP 43 H TRP 43 0.216 -0.085 -2.936 361 HA TRP 43 HA TRP 43 -1.006 -1.520 -0.763 362 HD1 TRP 43 HD TRP 43 -4.662 -0.396 -2.224 363 HE1 TRP 43 1HE TRP 43 -6.277 -0.382 -0.220 364 HE3 TRP 43 3HE TRP 43 -1.358 0.852 1.474 365 HZ2 TRP 43 2HZ TRP 43 -6.165 0.095 2.562 366 HZ3 TRP 43 3HZ TRP 43 -2.193 1.066 3.778 367 HH2 TRP 43 HH TRP 43 -4.546 0.695 4.309 368 HB2 TRP 43 2HB TRP 43 -1.266 0.940 -1.058 369 HB3 TRP 43 1HB TRP 43 -2.193 0.638 -2.525 370 H THR 44 H THR 44 -1.284 -1.424 -4.261 371 HA THR 44 HA THR 44 -3.729 -2.946 -4.332 372 HB THR 44 HB THR 44 -1.853 -2.732 -6.661 373 HG1 THR 44 1HG THR 44 -3.376 -0.651 -5.509 374 HG21 THR 44 3HG2 THR 44 -3.940 -2.382 -7.910 375 HG22 THR 44 1HG2 THR 44 -4.847 -2.591 -6.412 376 HG23 THR 44 2HG2 THR 44 -3.898 -3.928 -7.063 377 H LEU 45 H LEU 45 -0.334 -3.653 -5.090 378 HA LEU 45 HA LEU 45 -0.616 -6.350 -5.720 379 HB2 LEU 45 2HB LEU 45 1.776 -5.272 -4.257 380 HB3 LEU 45 1HB LEU 45 1.716 -6.535 -5.472 381 HD11 LEU 45 1HD1 LEU 45 2.958 -3.630 -4.833 382 HD12 LEU 45 2HD1 LEU 45 2.970 -2.869 -6.425 383 HD13 LEU 45 3HD1 LEU 45 3.799 -4.405 -6.177 384 HD21 LEU 45 3HD2 LEU 45 2.715 -5.834 -7.626 385 HD22 LEU 45 1HD2 LEU 45 1.868 -4.491 -8.394 386 HD23 LEU 45 2HD2 LEU 45 0.959 -5.877 -7.793 387 H LYS 46 H LYS 46 -0.365 -4.707 -2.648 388 HA LYS 46 HA LYS 46 0.059 -6.998 -1.034 389 HB2 LYS 46 2HB LYS 46 0.598 -4.926 -0.051 390 HB3 LYS 46 1HB LYS 46 -0.929 -4.199 -0.521 391 HG2 LYS 46 2HG LYS 46 -2.062 -5.726 1.106 392 HG3 LYS 46 1HG LYS 46 -0.462 -6.212 1.663 393 HD2 LYS 46 2HD LYS 46 -0.593 -4.493 3.090 394 HD3 LYS 46 1HD LYS 46 -0.347 -3.450 1.688 395 HE2 LYS 46 2HE LYS 46 -2.283 -2.719 2.951 396 HE3 LYS 46 1HE LYS 46 -2.779 -3.329 1.372 397 HZ1 LYS 46 3HZ LYS 46 -3.610 -5.286 2.318 398 HZ2 LYS 46 1HZ LYS 46 -4.133 -4.059 3.360 399 HZ3 LYS 46 2HZ LYS 46 -2.819 -5.031 3.792 400 H ASP 47 H ASP 47 -2.886 -5.037 -1.533 401 HA ASP 47 HA ASP 47 -4.606 -6.828 -0.209 402 HB2 ASP 47 2HB ASP 47 -6.441 -5.593 -1.287 403 HB3 ASP 47 1HB ASP 47 -5.234 -4.498 -0.620 404 H GLU 48 H GLU 48 -3.324 -6.768 -3.428 405 HA GLU 48 HA GLU 48 -5.220 -8.654 -4.491 406 HB2 GLU 48 2HB GLU 48 -3.812 -6.841 -5.746 407 HB3 GLU 48 1HB GLU 48 -2.564 -8.079 -5.756 408 HG2 GLU 48 2HG GLU 48 -4.836 -9.403 -6.621 409 HG3 GLU 48 1HG GLU 48 -4.937 -7.820 -7.389 410 H ILE 49 H ILE 49 -1.750 -8.767 -3.620 411 HA ILE 49 HA ILE 49 -1.392 -11.476 -4.161 412 HB ILE 49 HB ILE 49 0.539 -10.061 -3.756 413 HG12 ILE 49 2HG1 ILE 49 1.839 -11.612 -2.462 414 HG13 ILE 49 1HG1 ILE 49 0.412 -12.188 -1.615 415 HG21 ILE 49 1HG2 ILE 49 0.141 -10.086 -0.818 416 HG22 ILE 49 2HG2 ILE 49 -0.715 -8.883 -1.779 417 HG23 ILE 49 3HG2 ILE 49 1.047 -8.962 -1.835 418 HD11 ILE 49 3HD1 ILE 49 1.078 -13.820 -3.226 419 HD12 ILE 49 1HD1 ILE 49 1.089 -12.616 -4.513 420 HD13 ILE 49 2HD1 ILE 49 -0.436 -13.090 -3.761 421 H LEU 50 H LEU 50 -3.013 -9.934 -1.531 422 HA LEU 50 HA LEU 50 -2.932 -12.280 0.157 423 HG LEU 50 HG LEU 50 -4.191 -12.052 2.283 424 HB2 LEU 50 2HB LEU 50 -3.279 -9.659 0.717 425 HB3 LEU 50 1HB LEU 50 -4.955 -10.182 0.661 426 HD11 LEU 50 1HD1 LEU 50 -1.954 -12.021 2.523 427 HD12 LEU 50 2HD1 LEU 50 -2.313 -10.792 3.734 428 HD13 LEU 50 3HD1 LEU 50 -1.827 -10.314 2.109 429 HD21 LEU 50 3HD2 LEU 50 -4.218 -10.186 4.172 430 HD22 LEU 50 1HD2 LEU 50 -5.664 -10.619 3.262 431 HD23 LEU 50 2HD2 LEU 50 -4.739 -9.185 2.817 432 H THR 51 H THR 51 -5.089 -10.732 -2.118 433 HA THR 51 HA THR 51 -7.389 -12.284 -1.608 434 HB THR 51 HB THR 51 -6.452 -10.692 -3.984 435 HG1 THR 51 1HG THR 51 -7.167 -9.420 -2.351 436 HG21 THR 51 3HG2 THR 51 -7.848 -12.426 -4.928 437 HG22 THR 51 1HG2 THR 51 -8.694 -10.878 -4.937 438 HG23 THR 51 2HG2 THR 51 -9.099 -12.097 -3.728 439 H PHE 52 H PHE 52 -4.416 -13.157 -3.066 440 HA PHE 52 HA PHE 52 -5.623 -15.264 -4.660 441 HD1 PHE 52 1HD PHE 52 -2.523 -14.691 -2.445 442 HD2 PHE 52 2HD PHE 52 -1.676 -16.107 -6.364 443 HE1 PHE 52 1HE PHE 52 -0.371 -15.582 -1.651 444 HE2 PHE 52 2HE PHE 52 0.471 -17.013 -5.577 445 HZ PHE 52 HZ PHE 52 1.126 -16.751 -3.218 446 HB2 PHE 52 2HB PHE 52 -3.751 -15.212 -5.919 447 HB3 PHE 52 1HB PHE 52 -3.421 -13.704 -5.084 448 H THR 53 H THR 53 -5.898 -15.346 -1.821 449 HA THR 53 HA THR 53 -5.423 -18.072 -1.389 450 HB THR 53 HB THR 53 -3.419 -16.193 -0.136 451 HG1 THR 53 1HG THR 53 -3.099 -18.730 -1.348 452 HG21 THR 53 3HG2 THR 53 -2.720 -18.462 1.026 453 HG22 THR 53 1HG2 THR 53 -4.464 -18.728 0.980 454 HG23 THR 53 2HG2 THR 53 -3.810 -17.309 1.797 455 H VAL 54 H VAL 54 -7.697 -17.350 -1.089 456 HA VAL 54 HA VAL 54 -8.237 -17.152 1.718 457 HB VAL 54 HB VAL 54 -7.984 -14.769 1.068 458 HG11 VAL 54 1HG1 VAL 54 -10.153 -15.527 -0.832 459 HG12 VAL 54 2HG1 VAL 54 -8.740 -14.509 -1.087 460 HG13 VAL 54 3HG1 VAL 54 -10.113 -13.895 -0.167 461 HG21 VAL 54 3HG2 VAL 54 -9.417 -15.544 2.950 462 HG22 VAL 54 1HG2 VAL 54 -10.802 -15.498 1.857 463 HG23 VAL 54 2HG2 VAL 54 -9.937 -14.012 2.244 464 H THR 55 H THR 55 -10.465 -17.536 2.265 465 HA THR 55 HA THR 55 -11.652 -19.556 0.739 466 HB THR 55 HB THR 55 -13.446 -18.005 2.507 467 HG1 THR 55 1HG THR 55 -12.278 -18.173 4.267 468 HG21 THR 55 3HG2 THR 55 -14.290 -20.098 2.038 469 HG22 THR 55 1HG2 THR 55 -13.519 -20.338 3.606 470 HG23 THR 55 2HG2 THR 55 -12.707 -20.873 2.133 471 H GLU 56 H GLU 56 -13.127 -16.376 1.402 472 HA GLU 56 HA GLU 56 -14.168 -16.388 -1.353 473 HB2 GLU 56 2HB GLU 56 -15.764 -16.792 0.757 474 HB3 GLU 56 1HB GLU 56 -15.742 -15.034 0.773 475 HG2 GLU 56 2HG GLU 56 -16.225 -15.495 -1.841 476 HG3 GLU 56 1HG GLU 56 -17.010 -16.898 -1.112 Start of MODEL 14 1 HA THR 1 HA THR 1 -2.239 6.201 -15.321 2 HB THR 1 HB THR 1 -4.101 5.234 -13.776 3 HG1 THR 1 1HG THR 1 -4.707 3.181 -14.194 4 H1 THR 1 1HT THR 1 -2.331 4.129 -16.654 5 H2 THR 1 2HT THR 1 -1.495 3.366 -15.367 6 H3 THR 1 3HT THR 1 -0.774 4.681 -16.197 7 HG21 THR 1 1HG2 THR 1 -4.394 6.315 -16.073 8 HG22 THR 1 2HG2 THR 1 -5.683 5.271 -15.477 9 HG23 THR 1 3HG2 THR 1 -4.543 4.664 -16.677 10 H THR 2 H THR 2 -1.701 7.177 -13.423 11 HA THR 2 HA THR 2 -1.027 5.705 -11.062 12 HB THR 2 HB THR 2 1.340 6.773 -11.049 13 HG1 THR 2 1HG THR 2 0.822 6.664 -13.834 14 HG21 THR 2 3HG2 THR 2 1.304 4.624 -13.072 15 HG22 THR 2 1HG2 THR 2 0.584 4.267 -11.508 16 HG23 THR 2 2HG2 THR 2 2.265 4.791 -11.606 17 H TYR 3 H TYR 3 -1.403 6.928 -9.317 18 HA TYR 3 HA TYR 3 -2.189 9.673 -9.687 19 HD1 TYR 3 1HD TYR 3 -2.235 11.141 -6.746 20 HD2 TYR 3 2HD TYR 3 -5.235 8.561 -8.311 21 HE1 TYR 3 1HE TYR 3 -3.938 12.859 -6.295 22 HE2 TYR 3 2HE TYR 3 -6.946 10.273 -7.865 23 HH TYR 3 HH TYR 3 -6.565 13.218 -7.553 24 HB2 TYR 3 2HB TYR 3 -3.076 7.744 -8.030 25 HB3 TYR 3 1HB TYR 3 -1.958 8.570 -6.951 26 H LYS 4 H LYS 4 0.717 8.132 -9.073 27 HA LYS 4 HA LYS 4 2.669 8.721 -8.016 28 HB2 LYS 4 2HB LYS 4 3.361 11.095 -8.976 29 HB3 LYS 4 1HB LYS 4 3.345 9.638 -9.958 30 HG2 LYS 4 2HG LYS 4 1.725 10.420 -11.272 31 HG3 LYS 4 1HG LYS 4 0.789 11.014 -9.904 32 HD2 LYS 4 2HD LYS 4 3.267 12.470 -10.673 33 HD3 LYS 4 1HD LYS 4 1.827 12.675 -11.676 34 HE2 LYS 4 2HE LYS 4 0.568 13.242 -9.583 35 HE3 LYS 4 1HE LYS 4 2.109 13.241 -8.725 36 HZ1 LYS 4 3HZ LYS 4 2.793 14.906 -10.563 37 HZ2 LYS 4 1HZ LYS 4 1.841 15.444 -9.271 38 HZ3 LYS 4 2HZ LYS 4 1.128 15.120 -10.775 39 H LEU 5 H LEU 5 1.705 8.852 -5.847 40 HA LEU 5 HA LEU 5 1.600 11.622 -4.849 41 HG LEU 5 HG LEU 5 -0.655 10.370 -5.690 42 HB2 LEU 5 2HB LEU 5 0.564 9.161 -3.463 43 HB3 LEU 5 1HB LEU 5 0.292 10.829 -3.003 44 HD11 LEU 5 1HD1 LEU 5 -1.553 8.458 -3.561 45 HD12 LEU 5 2HD1 LEU 5 -1.069 8.119 -5.223 46 HD13 LEU 5 3HD1 LEU 5 -2.605 8.921 -4.897 47 HD21 LEU 5 3HD2 LEU 5 -1.450 12.229 -4.502 48 HD22 LEU 5 1HD2 LEU 5 -1.842 11.265 -3.081 49 HD23 LEU 5 2HD2 LEU 5 -2.808 11.101 -4.541 50 H ILE 6 H ILE 6 2.412 8.409 -3.543 51 HA ILE 6 HA ILE 6 4.214 7.649 -2.384 52 HB ILE 6 HB ILE 6 5.623 10.232 -3.025 53 HG12 ILE 6 2HG1 ILE 6 5.484 7.694 -4.670 54 HG13 ILE 6 1HG1 ILE 6 4.759 9.238 -5.097 55 HG21 ILE 6 1HG2 ILE 6 6.451 8.419 -1.323 56 HG22 ILE 6 2HG2 ILE 6 7.575 9.192 -2.441 57 HG23 ILE 6 3HG2 ILE 6 6.949 7.582 -2.793 58 HD11 ILE 6 3HD1 ILE 6 6.743 9.046 -6.355 59 HD12 ILE 6 1HD1 ILE 6 7.673 8.548 -4.940 60 HD13 ILE 6 2HD1 ILE 6 7.081 10.203 -5.068 61 H LEU 7 H LEU 7 2.255 8.582 -0.868 62 HA LEU 7 HA LEU 7 3.662 10.034 1.271 63 HG LEU 7 HG LEU 7 0.462 9.528 -0.369 64 HB2 LEU 7 2HB LEU 7 1.538 11.122 1.864 65 HB3 LEU 7 1HB LEU 7 2.111 11.575 0.274 66 HD11 LEU 7 1HD1 LEU 7 -1.623 9.868 0.930 67 HD12 LEU 7 2HD1 LEU 7 -0.697 10.840 2.076 68 HD13 LEU 7 3HD1 LEU 7 -0.318 9.131 1.859 69 HD21 LEU 7 3HD2 LEU 7 0.552 11.841 -1.294 70 HD22 LEU 7 1HD2 LEU 7 -0.467 12.358 0.051 71 HD23 LEU 7 2HD2 LEU 7 -1.079 11.190 -1.121 72 H ASN 8 H ASN 8 2.388 7.148 0.437 73 HA ASN 8 HA ASN 8 2.126 6.328 3.186 74 HB2 ASN 8 2HB ASN 8 -0.114 5.399 2.991 75 HB3 ASN 8 1HB ASN 8 -0.154 7.128 2.670 76 HD21 ASN 8 1HD2 ASN 8 -0.137 7.790 0.400 77 HD22 ASN 8 2HD2 ASN 8 -0.951 6.794 -0.754 78 H LEU 9 H LEU 9 3.937 5.715 1.078 79 HA LEU 9 HA LEU 9 3.246 3.095 0.081 80 HG LEU 9 HG LEU 9 5.235 2.105 -1.259 81 HB2 LEU 9 2HB LEU 9 4.456 4.592 -1.342 82 HB3 LEU 9 1HB LEU 9 5.693 4.837 -0.118 83 HD11 LEU 9 1HD1 LEU 9 5.820 4.341 -2.823 84 HD12 LEU 9 2HD1 LEU 9 5.994 2.644 -3.273 85 HD13 LEU 9 3HD1 LEU 9 7.361 3.519 -2.582 86 HD21 LEU 9 3HD2 LEU 9 6.980 3.214 0.631 87 HD22 LEU 9 1HD2 LEU 9 7.954 2.936 -0.809 88 HD23 LEU 9 2HD2 LEU 9 7.056 1.605 -0.082 89 H LYS 10 H LYS 10 5.653 4.488 2.290 90 HA LYS 10 HA LYS 10 7.001 2.199 3.027 91 HB2 LYS 10 2HB LYS 10 7.658 4.481 3.692 92 HB3 LYS 10 1HB LYS 10 6.299 4.532 4.806 93 HG2 LYS 10 2HG LYS 10 7.660 2.213 5.488 94 HG3 LYS 10 1HG LYS 10 8.928 3.392 5.154 95 HD2 LYS 10 2HD LYS 10 8.271 4.776 6.865 96 HD3 LYS 10 1HD LYS 10 6.604 4.202 6.838 97 HE2 LYS 10 2HE LYS 10 7.039 2.462 8.215 98 HE3 LYS 10 1HE LYS 10 8.651 2.202 7.553 99 HZ1 LYS 10 3HZ LYS 10 9.519 3.956 8.857 100 HZ2 LYS 10 1HZ LYS 10 8.580 3.014 9.903 101 HZ3 LYS 10 2HZ LYS 10 7.982 4.485 9.324 102 H GLN 11 H GLN 11 3.861 3.345 4.018 103 HA GLN 11 HA GLN 11 3.614 1.333 6.090 104 HB2 GLN 11 2HB GLN 11 2.616 3.773 6.023 105 HB3 GLN 11 1HB GLN 11 1.311 2.990 5.148 106 HG2 GLN 11 2HG GLN 11 0.731 1.651 6.972 107 HG3 GLN 11 1HG GLN 11 2.261 1.955 7.794 108 HE21 GLN 11 1HE2 GLN 11 1.561 2.820 9.649 109 HE22 GLN 11 2HE2 GLN 11 0.634 4.275 9.770 110 H ALA 12 H ALA 12 2.405 1.996 2.861 111 HA ALA 12 HA ALA 12 0.444 0.037 2.672 112 HB1 ALA 12 1HB ALA 12 0.272 0.949 0.653 113 HB2 ALA 12 2HB ALA 12 1.786 0.185 0.173 114 HB3 ALA 12 3HB ALA 12 1.800 1.795 0.893 115 H LYS 13 H LYS 13 3.939 -0.178 2.288 116 HA LYS 13 HA LYS 13 3.784 -2.981 1.578 117 HB2 LYS 13 2HB LYS 13 5.937 -2.835 0.882 118 HB3 LYS 13 1HB LYS 13 5.536 -1.127 0.819 119 HG2 LYS 13 2HG LYS 13 6.569 -1.875 3.422 120 HG3 LYS 13 1HG LYS 13 7.682 -2.286 2.117 121 HD2 LYS 13 2HD LYS 13 6.919 0.162 1.321 122 HD3 LYS 13 1HD LYS 13 6.768 0.346 3.071 123 HE2 LYS 13 2HE LYS 13 9.161 -0.875 2.940 124 HE3 LYS 13 1HE LYS 13 9.175 -0.025 1.397 125 HZ1 LYS 13 3HZ LYS 13 8.926 2.041 2.479 126 HZ2 LYS 13 1HZ LYS 13 10.132 1.217 3.334 127 HZ3 LYS 13 2HZ LYS 13 8.566 1.321 3.965 128 H GLU 14 H GLU 14 4.564 -1.021 4.385 129 HA GLU 14 HA GLU 14 5.678 -3.014 6.017 130 HB2 GLU 14 2HB GLU 14 4.185 -0.472 6.557 131 HB3 GLU 14 1HB GLU 14 4.523 -1.567 7.890 132 HG2 GLU 14 2HG GLU 14 6.841 -0.996 6.203 133 HG3 GLU 14 1HG GLU 14 6.169 0.419 7.014 134 H GLU 15 H GLU 15 2.323 -1.937 5.631 135 HA GLU 15 HA GLU 15 1.180 -3.904 7.321 136 HB2 GLU 15 2HB GLU 15 0.014 -1.818 6.596 137 HB3 GLU 15 1HB GLU 15 -0.076 -2.474 4.966 138 HG2 GLU 15 2HG GLU 15 -1.976 -3.473 5.475 139 HG3 GLU 15 1HG GLU 15 -1.145 -4.423 6.706 140 H ALA 16 H ALA 16 2.180 -3.777 3.996 141 HA ALA 16 HA ALA 16 0.845 -6.087 3.080 142 HB1 ALA 16 1HB ALA 16 1.904 -4.204 1.712 143 HB2 ALA 16 2HB ALA 16 2.056 -5.848 1.110 144 HB3 ALA 16 3HB ALA 16 3.416 -5.080 1.925 145 H ILE 17 H ILE 17 4.132 -5.569 4.379 146 HA ILE 17 HA ILE 17 5.053 -8.182 3.918 147 HB ILE 17 HB ILE 17 6.588 -6.388 4.519 148 HG12 ILE 17 2HG1 ILE 17 7.953 -7.639 6.193 149 HG13 ILE 17 1HG1 ILE 17 6.577 -8.701 6.464 150 HG21 ILE 17 1HG2 ILE 17 5.740 -5.003 6.090 151 HG22 ILE 17 2HG2 ILE 17 6.704 -6.031 7.148 152 HG23 ILE 17 3HG2 ILE 17 4.972 -6.308 6.990 153 HD11 ILE 17 3HD1 ILE 17 8.132 -8.373 3.914 154 HD12 ILE 17 1HD1 ILE 17 6.667 -9.342 4.076 155 HD13 ILE 17 2HD1 ILE 17 8.115 -9.774 4.984 156 H LYS 18 H LYS 18 3.151 -6.778 6.493 157 HA LYS 18 HA LYS 18 3.209 -9.100 8.169 158 HB2 LYS 18 2HB LYS 18 1.201 -6.834 8.125 159 HB3 LYS 18 1HB LYS 18 1.438 -7.991 9.427 160 HG2 LYS 18 2HG LYS 18 3.372 -6.999 10.145 161 HG3 LYS 18 1HG LYS 18 3.745 -6.326 8.558 162 HD2 LYS 18 2HD LYS 18 3.000 -4.390 9.407 163 HD3 LYS 18 1HD LYS 18 1.390 -5.075 9.180 164 HE2 LYS 18 2HE LYS 18 2.481 -6.036 11.642 165 HE3 LYS 18 1HE LYS 18 2.630 -4.280 11.591 166 HZ1 LYS 18 3HZ LYS 18 0.192 -4.348 10.853 167 HZ2 LYS 18 1HZ LYS 18 0.540 -4.629 12.485 168 HZ3 LYS 18 2HZ LYS 18 0.188 -5.927 11.461 169 H GLU 19 H GLU 19 1.284 -7.887 5.546 170 HA GLU 19 HA GLU 19 -0.977 -9.537 5.775 171 HB2 GLU 19 2HB GLU 19 0.111 -7.653 3.904 172 HB3 GLU 19 1HB GLU 19 -0.479 -9.054 3.029 173 HG2 GLU 19 2HG GLU 19 -2.263 -7.529 3.111 174 HG3 GLU 19 1HG GLU 19 -2.642 -8.782 4.294 175 H LEU 20 H LEU 20 1.937 -9.970 3.741 176 HA LEU 20 HA LEU 20 1.075 -12.581 2.934 177 HG LEU 20 HG LEU 20 2.042 -13.485 1.202 178 HB2 LEU 20 2HB LEU 20 2.787 -10.789 1.850 179 HB3 LEU 20 1HB LEU 20 3.926 -11.881 2.615 180 HD11 LEU 20 1HD1 LEU 20 2.516 -12.649 -1.097 181 HD12 LEU 20 2HD1 LEU 20 3.087 -11.149 -0.366 182 HD13 LEU 20 3HD1 LEU 20 1.411 -11.655 -0.147 183 HD21 LEU 20 3HD2 LEU 20 4.615 -13.141 -0.088 184 HD22 LEU 20 1HD2 LEU 20 3.910 -14.565 0.673 185 HD23 LEU 20 2HD2 LEU 20 4.764 -13.377 1.653 186 H VAL 21 H VAL 21 3.256 -11.288 5.372 187 HA VAL 21 HA VAL 21 4.556 -13.689 6.054 188 HB VAL 21 HB VAL 21 4.005 -11.179 7.625 189 HG11 VAL 21 1HG1 VAL 21 5.198 -13.752 8.579 190 HG12 VAL 21 2HG1 VAL 21 4.081 -12.661 9.400 191 HG13 VAL 21 3HG1 VAL 21 5.777 -12.215 9.222 192 HG21 VAL 21 3HG2 VAL 21 6.186 -10.597 7.172 193 HG22 VAL 21 1HG2 VAL 21 5.743 -11.456 5.696 194 HG23 VAL 21 2HG2 VAL 21 6.697 -12.269 6.935 195 H ASP 22 H ASP 22 1.430 -12.391 6.869 196 HA ASP 22 HA ASP 22 0.965 -14.485 8.827 197 HB2 ASP 22 2HB ASP 22 -0.371 -11.952 8.075 198 HB3 ASP 22 1HB ASP 22 -1.441 -13.250 8.600 199 H ALA 23 H ALA 23 -0.008 -13.544 5.580 200 HA ALA 23 HA ALA 23 -1.951 -15.651 5.323 201 HB1 ALA 23 1HB ALA 23 -0.754 -14.231 2.980 202 HB2 ALA 23 2HB ALA 23 -1.836 -13.373 4.078 203 HB3 ALA 23 3HB ALA 23 -2.405 -14.807 3.221 204 H GLY 24 H GLY 24 1.441 -15.473 5.096 205 HA2 GLY 24 2HA GLY 24 3.059 -16.917 4.343 206 HA3 GLY 24 1HA GLY 24 1.881 -18.162 4.738 207 H ILE 25 H ILE 25 3.602 -16.612 2.216 208 HA ILE 25 HA ILE 25 2.818 -18.512 0.310 209 HB ILE 25 HB ILE 25 1.873 -16.361 -1.180 210 HG12 ILE 25 2HG1 ILE 25 0.229 -16.441 1.345 211 HG13 ILE 25 1HG1 ILE 25 1.496 -15.243 1.110 212 HG21 ILE 25 1HG2 ILE 25 1.117 -18.588 -1.485 213 HG22 ILE 25 2HG2 ILE 25 -0.291 -17.614 -1.065 214 HG23 ILE 25 3HG2 ILE 25 0.455 -18.656 0.147 215 HD11 ILE 25 3HD1 ILE 25 0.360 -14.450 -0.903 216 HD12 ILE 25 1HD1 ILE 25 -0.660 -14.332 0.530 217 HD13 ILE 25 2HD1 ILE 25 -0.920 -15.633 -0.633 218 H ALA 26 H ALA 26 3.268 -17.354 -2.070 219 HA ALA 26 HA ALA 26 5.931 -17.300 -2.434 220 HB1 ALA 26 1HB ALA 26 3.714 -15.989 -3.923 221 HB2 ALA 26 2HB ALA 26 4.786 -17.301 -4.413 222 HB3 ALA 26 3HB ALA 26 5.379 -15.638 -4.395 223 H GLU 27 H GLU 27 7.188 -16.255 -0.949 224 HA GLU 27 HA GLU 27 6.862 -13.698 0.061 225 HB2 GLU 27 2HB GLU 27 9.411 -15.221 -0.502 226 HB3 GLU 27 1HB GLU 27 9.348 -13.733 0.430 227 HG2 GLU 27 2HG GLU 27 7.597 -15.034 1.857 228 HG3 GLU 27 1HG GLU 27 8.354 -16.451 1.131 229 H LYS 28 H LYS 28 7.932 -14.720 -3.053 230 HA LYS 28 HA LYS 28 9.430 -12.654 -4.039 231 HB2 LYS 28 2HB LYS 28 9.078 -14.416 -5.525 232 HB3 LYS 28 1HB LYS 28 7.343 -14.431 -5.261 233 HG2 LYS 28 2HG LYS 28 7.130 -13.372 -7.182 234 HG3 LYS 28 1HG LYS 28 7.850 -11.954 -6.421 235 HD2 LYS 28 2HD LYS 28 10.082 -12.753 -7.075 236 HD3 LYS 28 1HD LYS 28 9.336 -14.140 -7.873 237 HE2 LYS 28 2HE LYS 28 8.251 -11.536 -8.678 238 HE3 LYS 28 1HE LYS 28 9.948 -11.780 -9.089 239 HZ1 LYS 28 3HZ LYS 28 7.577 -13.148 -10.094 240 HZ2 LYS 28 1HZ LYS 28 8.972 -14.084 -9.901 241 HZ3 LYS 28 2HZ LYS 28 9.001 -12.720 -10.899 242 H TYR 29 H TYR 29 5.892 -12.778 -3.750 243 HA TYR 29 HA TYR 29 5.389 -10.277 -4.906 244 HD1 TYR 29 2HD TYR 29 3.737 -13.317 -5.506 245 HD2 TYR 29 1HD TYR 29 2.299 -9.356 -4.930 246 HE1 TYR 29 2HE TYR 29 2.500 -13.465 -7.626 247 HE2 TYR 29 1HE TYR 29 1.056 -9.493 -7.048 248 HH TYR 29 HH TYR 29 1.082 -10.734 -9.121 249 HB2 TYR 29 2HB TYR 29 3.878 -12.224 -3.321 250 HB3 TYR 29 1HB TYR 29 3.340 -10.556 -3.117 251 H ILE 30 H ILE 30 6.420 -11.223 -1.716 252 HA ILE 30 HA ILE 30 5.857 -8.815 -0.356 253 HB ILE 30 HB ILE 30 8.177 -10.680 0.174 254 HG12 ILE 30 2HG1 ILE 30 5.349 -10.747 1.252 255 HG13 ILE 30 1HG1 ILE 30 6.073 -11.924 0.163 256 HG21 ILE 30 1HG2 ILE 30 8.244 -9.769 2.356 257 HG22 ILE 30 2HG2 ILE 30 6.732 -8.895 2.115 258 HG23 ILE 30 3HG2 ILE 30 8.185 -8.401 1.245 259 HD11 ILE 30 3HD1 ILE 30 7.771 -11.762 2.391 260 HD12 ILE 30 1HD1 ILE 30 6.707 -13.091 1.929 261 HD13 ILE 30 2HD1 ILE 30 6.123 -11.830 3.013 262 H LYS 31 H LYS 31 8.297 -9.767 -2.630 263 HA LYS 31 HA LYS 31 10.108 -7.635 -2.043 264 HB2 LYS 31 2HB LYS 31 10.951 -9.647 -3.101 265 HB3 LYS 31 1HB LYS 31 9.877 -9.420 -4.473 266 HG2 LYS 31 2HG LYS 31 11.248 -7.055 -4.434 267 HG3 LYS 31 1HG LYS 31 12.472 -8.211 -3.897 268 HD2 LYS 31 2HD LYS 31 11.409 -9.583 -5.953 269 HD3 LYS 31 1HD LYS 31 11.137 -7.934 -6.517 270 HE2 LYS 31 2HE LYS 31 13.251 -8.604 -7.359 271 HE3 LYS 31 1HE LYS 31 13.563 -7.482 -6.036 272 HZ1 LYS 31 3HZ LYS 31 14.495 -9.082 -4.781 273 HZ2 LYS 31 1HZ LYS 31 14.764 -9.837 -6.270 274 HZ3 LYS 31 2HZ LYS 31 13.443 -10.293 -5.316 275 H LEU 32 H LEU 32 7.421 -8.099 -4.314 276 HA LEU 32 HA LEU 32 7.915 -5.773 -5.835 277 HG LEU 32 HG LEU 32 5.694 -8.530 -4.985 278 HB2 LEU 32 2HB LEU 32 5.074 -6.225 -5.578 279 HB3 LEU 32 1HB LEU 32 6.103 -6.337 -6.998 280 HD11 LEU 32 1HD1 LEU 32 3.655 -8.120 -6.211 281 HD12 LEU 32 2HD1 LEU 32 4.397 -9.624 -6.758 282 HD13 LEU 32 3HD1 LEU 32 4.539 -8.162 -7.737 283 HD21 LEU 32 3HD2 LEU 32 7.884 -8.344 -6.371 284 HD22 LEU 32 1HD2 LEU 32 6.864 -8.870 -7.711 285 HD23 LEU 32 2HD2 LEU 32 7.039 -9.890 -6.283 286 H ILE 33 H ILE 33 6.356 -6.302 -2.774 287 HA ILE 33 HA ILE 33 5.462 -3.531 -2.606 288 HB ILE 33 HB ILE 33 4.764 -4.304 -0.239 289 HG12 ILE 33 2HG1 ILE 33 5.116 -6.972 -1.612 290 HG13 ILE 33 1HG1 ILE 33 6.058 -6.385 -0.247 291 HG21 ILE 33 1HG2 ILE 33 3.506 -4.335 -2.746 292 HG22 ILE 33 2HG2 ILE 33 2.755 -4.236 -1.153 293 HG23 ILE 33 3HG2 ILE 33 3.002 -5.807 -1.916 294 HD11 ILE 33 3HD1 ILE 33 4.301 -6.603 1.215 295 HD12 ILE 33 1HD1 ILE 33 4.146 -8.021 0.181 296 HD13 ILE 33 2HD1 ILE 33 3.100 -6.626 -0.076 297 H ALA 34 H ALA 34 7.650 -5.751 -0.918 298 HA ALA 34 HA ALA 34 8.587 -3.946 0.995 299 HB1 ALA 34 1HB ALA 34 10.138 -6.235 -0.208 300 HB2 ALA 34 2HB ALA 34 8.931 -6.402 1.069 301 HB3 ALA 34 3HB ALA 34 10.405 -5.477 1.362 302 H ASN 35 H ASN 35 9.448 -4.432 -2.355 303 HA ASN 35 HA ASN 35 11.817 -2.788 -2.184 304 HB2 ASN 35 2HB ASN 35 11.858 -4.625 -3.741 305 HB3 ASN 35 1HB ASN 35 10.389 -4.052 -4.532 306 HD21 ASN 35 1HD2 ASN 35 10.716 -3.055 -6.373 307 HD22 ASN 35 2HD2 ASN 35 12.129 -2.167 -6.823 308 H ALA 36 H ALA 36 8.488 -2.254 -2.514 309 HA ALA 36 HA ALA 36 7.221 -0.419 -2.971 310 HB1 ALA 36 1HB ALA 36 8.116 1.701 -2.332 311 HB2 ALA 36 2HB ALA 36 9.772 1.131 -2.542 312 HB3 ALA 36 3HB ALA 36 8.775 0.485 -1.237 313 H LYS 37 H LYS 37 8.670 2.074 -4.170 314 HA LYS 37 HA LYS 37 9.389 2.850 -6.217 315 HB2 LYS 37 2HB LYS 37 10.069 0.263 -6.561 316 HB3 LYS 37 1HB LYS 37 8.757 0.386 -7.736 317 HG2 LYS 37 2HG LYS 37 10.323 2.661 -8.142 318 HG3 LYS 37 1HG LYS 37 11.467 1.340 -7.901 319 HD2 LYS 37 2HD LYS 37 10.705 0.170 -9.747 320 HD3 LYS 37 1HD LYS 37 9.130 0.966 -9.728 321 HE2 LYS 37 2HE LYS 37 11.455 2.724 -10.170 322 HE3 LYS 37 1HE LYS 37 11.111 1.572 -11.461 323 HZ1 LYS 37 3HZ LYS 37 9.994 3.787 -11.641 324 HZ2 LYS 37 1HZ LYS 37 9.046 3.356 -10.310 325 HZ3 LYS 37 2HZ LYS 37 8.961 2.452 -11.735 326 H THR 38 H THR 38 6.474 1.139 -5.595 327 HA THR 38 HA THR 38 5.031 3.017 -7.295 328 HB THR 38 HB THR 38 4.196 0.135 -7.314 329 HG1 THR 38 1HG THR 38 5.446 -0.216 -9.114 330 HG21 THR 38 3HG2 THR 38 3.906 2.263 -9.416 331 HG22 THR 38 1HG2 THR 38 2.678 1.879 -8.210 332 HG23 THR 38 2HG2 THR 38 3.160 0.664 -9.394 333 H VAL 39 H VAL 39 4.640 3.927 -5.166 334 HA VAL 39 HA VAL 39 3.565 2.832 -2.936 335 HB VAL 39 HB VAL 39 3.996 5.224 -3.136 336 HG11 VAL 39 1HG1 VAL 39 2.779 6.700 -4.411 337 HG12 VAL 39 2HG1 VAL 39 1.385 5.629 -4.529 338 HG13 VAL 39 3HG1 VAL 39 2.843 5.286 -5.460 339 HG21 VAL 39 3HG2 VAL 39 1.124 5.240 -2.435 340 HG22 VAL 39 1HG2 VAL 39 2.521 5.805 -1.519 341 HG23 VAL 39 2HG2 VAL 39 2.139 4.084 -1.573 342 H GLU 40 H GLU 40 1.641 3.774 -5.796 343 HA GLU 40 HA GLU 40 -0.843 2.962 -4.769 344 HB2 GLU 40 2HB GLU 40 0.213 3.817 -7.336 345 HB3 GLU 40 1HB GLU 40 -0.986 2.544 -7.531 346 HG2 GLU 40 2HG GLU 40 -2.564 3.865 -6.183 347 HG3 GLU 40 1HG GLU 40 -1.367 5.149 -6.079 348 H GLY 41 H GLY 41 1.609 1.228 -6.651 349 HA2 GLY 41 2HA GLY 41 0.125 -1.186 -6.885 350 HA3 GLY 41 1HA GLY 41 1.862 -1.017 -7.089 351 H VAL 42 H VAL 42 2.690 -0.173 -4.616 352 HA VAL 42 HA VAL 42 3.061 -2.435 -3.135 353 HB VAL 42 HB VAL 42 2.664 0.236 -1.800 354 HG11 VAL 42 1HG1 VAL 42 3.698 -0.667 -0.040 355 HG12 VAL 42 2HG1 VAL 42 4.939 -1.415 -1.048 356 HG13 VAL 42 3HG1 VAL 42 3.391 -2.226 -0.805 357 HG21 VAL 42 3HG2 VAL 42 4.690 -0.591 -3.779 358 HG22 VAL 42 1HG2 VAL 42 5.305 0.209 -2.333 359 HG23 VAL 42 2HG2 VAL 42 4.113 1.018 -3.348 360 H TRP 43 H TRP 43 0.372 -0.156 -2.906 361 HA TRP 43 HA TRP 43 -0.908 -1.580 -0.760 362 HD1 TRP 43 HD TRP 43 -4.270 -1.323 -1.473 363 HE1 TRP 43 1HE TRP 43 -5.723 -0.830 0.591 364 HE3 TRP 43 3HE TRP 43 -1.296 2.159 0.801 365 HZ2 TRP 43 2HZ TRP 43 -5.625 0.818 2.881 366 HZ3 TRP 43 3HZ TRP 43 -2.049 3.145 2.926 367 HH2 TRP 43 HH TRP 43 -4.169 2.489 3.943 368 HB2 TRP 43 2HB TRP 43 -1.098 0.925 -1.248 369 HB3 TRP 43 1HB TRP 43 -2.206 0.480 -2.539 370 H THR 44 H THR 44 -1.127 -1.522 -4.272 371 HA THR 44 HA THR 44 -3.576 -3.048 -4.331 372 HB THR 44 HB THR 44 -1.705 -2.785 -6.668 373 HG1 THR 44 1HG THR 44 -1.792 -0.707 -6.127 374 HG21 THR 44 3HG2 THR 44 -4.617 -2.326 -6.856 375 HG22 THR 44 1HG2 THR 44 -4.069 -3.980 -6.584 376 HG23 THR 44 2HG2 THR 44 -3.506 -3.086 -7.996 377 H LEU 45 H LEU 45 -0.170 -3.727 -5.038 378 HA LEU 45 HA LEU 45 -0.424 -6.416 -5.712 379 HB2 LEU 45 2HB LEU 45 1.919 -5.305 -4.183 380 HB3 LEU 45 1HB LEU 45 1.911 -6.603 -5.362 381 HD11 LEU 45 1HD1 LEU 45 3.106 -2.906 -6.177 382 HD12 LEU 45 2HD1 LEU 45 3.988 -4.421 -6.367 383 HD13 LEU 45 3HD1 LEU 45 3.322 -3.980 -4.794 384 HD21 LEU 45 3HD2 LEU 45 2.764 -4.891 -8.138 385 HD22 LEU 45 1HD2 LEU 45 1.043 -5.278 -8.083 386 HD23 LEU 45 2HD2 LEU 45 2.221 -6.397 -7.394 387 H LYS 46 H LYS 46 -0.189 -4.816 -2.597 388 HA LYS 46 HA LYS 46 0.128 -7.150 -1.024 389 HB2 LYS 46 2HB LYS 46 0.698 -5.102 0.010 390 HB3 LYS 46 1HB LYS 46 -0.819 -4.347 -0.448 391 HG2 LYS 46 2HG LYS 46 -1.974 -5.927 1.114 392 HG3 LYS 46 1HG LYS 46 -0.378 -6.432 1.672 393 HD2 LYS 46 2HD LYS 46 -1.109 -4.784 3.202 394 HD3 LYS 46 1HD LYS 46 0.068 -3.983 2.160 395 HE2 LYS 46 2HE LYS 46 -1.451 -2.538 1.393 396 HE3 LYS 46 1HE LYS 46 -2.631 -3.816 1.102 397 HZ1 LYS 46 3HZ LYS 46 -2.251 -2.139 3.474 398 HZ2 LYS 46 1HZ LYS 46 -2.824 -3.715 3.699 399 HZ3 LYS 46 2HZ LYS 46 -3.683 -2.633 2.722 400 H ASP 47 H ASP 47 -2.742 -5.085 -1.493 401 HA ASP 47 HA ASP 47 -4.575 -6.785 -0.253 402 HB2 ASP 47 2HB ASP 47 -4.746 -4.509 -2.148 403 HB3 ASP 47 1HB ASP 47 -6.161 -5.552 -2.049 404 H GLU 48 H GLU 48 -3.298 -6.764 -3.506 405 HA GLU 48 HA GLU 48 -5.174 -8.670 -4.539 406 HB2 GLU 48 2HB GLU 48 -3.771 -6.909 -5.827 407 HB3 GLU 48 1HB GLU 48 -2.483 -8.103 -5.751 408 HG2 GLU 48 2HG GLU 48 -3.739 -9.672 -7.008 409 HG3 GLU 48 1HG GLU 48 -5.204 -8.699 -6.876 410 H ILE 49 H ILE 49 -1.707 -8.830 -3.680 411 HA ILE 49 HA ILE 49 -1.422 -11.569 -4.147 412 HB ILE 49 HB ILE 49 0.506 -10.061 -3.852 413 HG12 ILE 49 2HG1 ILE 49 1.887 -11.665 -2.602 414 HG13 ILE 49 1HG1 ILE 49 0.433 -12.414 -1.956 415 HG21 ILE 49 1HG2 ILE 49 1.194 -9.164 -1.847 416 HG22 ILE 49 2HG2 ILE 49 0.212 -10.279 -0.891 417 HG23 ILE 49 3HG2 ILE 49 -0.558 -8.963 -1.771 418 HD11 ILE 49 3HD1 ILE 49 0.844 -12.223 -4.903 419 HD12 ILE 49 1HD1 ILE 49 -0.125 -13.367 -3.979 420 HD13 ILE 49 2HD1 ILE 49 1.634 -13.491 -3.965 421 H LEU 50 H LEU 50 -2.902 -9.895 -1.506 422 HA LEU 50 HA LEU 50 -2.774 -12.154 0.283 423 HG LEU 50 HG LEU 50 -4.291 -11.916 2.275 424 HB2 LEU 50 2HB LEU 50 -3.025 -9.613 0.864 425 HB3 LEU 50 1HB LEU 50 -4.735 -9.912 0.594 426 HD11 LEU 50 1HD1 LEU 50 -2.078 -11.815 2.810 427 HD12 LEU 50 2HD1 LEU 50 -2.729 -10.753 4.059 428 HD13 LEU 50 3HD1 LEU 50 -1.999 -10.066 2.608 429 HD21 LEU 50 3HD2 LEU 50 -5.642 -9.604 2.393 430 HD22 LEU 50 1HD2 LEU 50 -4.435 -9.299 3.641 431 HD23 LEU 50 2HD2 LEU 50 -5.493 -10.705 3.762 432 H THR 51 H THR 51 -4.995 -10.784 -2.044 433 HA THR 51 HA THR 51 -7.297 -12.237 -1.413 434 HB THR 51 HB THR 51 -6.281 -11.123 -4.028 435 HG1 THR 51 1HG THR 51 -7.718 -9.496 -3.584 436 HG21 THR 51 3HG2 THR 51 -8.931 -12.400 -3.459 437 HG22 THR 51 1HG2 THR 51 -7.789 -12.794 -4.738 438 HG23 THR 51 2HG2 THR 51 -8.661 -11.264 -4.783 439 H PHE 52 H PHE 52 -4.450 -13.128 -3.306 440 HA PHE 52 HA PHE 52 -5.567 -15.545 -4.330 441 HD1 PHE 52 1HD PHE 52 -1.459 -14.424 -3.022 442 HD2 PHE 52 2HD PHE 52 -2.892 -17.563 -5.502 443 HE1 PHE 52 1HE PHE 52 0.498 -15.777 -2.411 444 HE2 PHE 52 2HE PHE 52 -0.939 -18.933 -4.899 445 HZ PHE 52 HZ PHE 52 0.760 -18.042 -3.354 446 HB2 PHE 52 2HB PHE 52 -3.794 -15.335 -5.671 447 HB3 PHE 52 1HB PHE 52 -3.183 -14.022 -4.682 448 H THR 53 H THR 53 -6.335 -15.783 -1.862 449 HA THR 53 HA THR 53 -5.564 -18.190 -0.898 450 HB THR 53 HB THR 53 -3.716 -16.035 0.050 451 HG1 THR 53 1HG THR 53 -3.516 -18.809 -0.465 452 HG21 THR 53 3HG2 THR 53 -4.941 -18.045 1.850 453 HG22 THR 53 1HG2 THR 53 -4.330 -16.429 2.199 454 HG23 THR 53 2HG2 THR 53 -3.203 -17.768 1.974 455 H VAL 54 H VAL 54 -5.842 -15.001 0.684 456 HA VAL 54 HA VAL 54 -8.019 -16.033 2.317 457 HB VAL 54 HB VAL 54 -6.949 -13.231 2.493 458 HG11 VAL 54 1HG1 VAL 54 -8.597 -15.033 4.142 459 HG12 VAL 54 2HG1 VAL 54 -8.652 -13.279 3.971 460 HG13 VAL 54 3HG1 VAL 54 -7.438 -14.027 5.012 461 HG21 VAL 54 3HG2 VAL 54 -5.423 -14.200 4.315 462 HG22 VAL 54 1HG2 VAL 54 -4.936 -14.422 2.633 463 HG23 VAL 54 2HG2 VAL 54 -5.678 -15.755 3.519 464 H THR 55 H THR 55 -9.620 -16.175 0.691 465 HA THR 55 HA THR 55 -10.383 -14.122 -1.037 466 HB THR 55 HB THR 55 -12.741 -15.360 -0.669 467 HG1 THR 55 1HG THR 55 -12.310 -16.712 0.945 468 HG21 THR 55 3HG2 THR 55 -12.253 -16.090 -2.690 469 HG22 THR 55 1HG2 THR 55 -11.174 -17.305 -1.996 470 HG23 THR 55 2HG2 THR 55 -10.542 -15.716 -2.427 471 H GLU 56 H GLU 56 -11.350 -12.228 -0.731 472 HA GLU 56 HA GLU 56 -11.963 -11.249 1.835 473 HB2 GLU 56 2HB GLU 56 -11.541 -10.122 -0.624 474 HB3 GLU 56 1HB GLU 56 -13.265 -9.871 -0.410 475 HG2 GLU 56 2HG GLU 56 -12.106 -9.161 2.028 476 HG3 GLU 56 1HG GLU 56 -11.055 -8.489 0.787 Start of MODEL 15 1 HA THR 1 HA THR 1 -7.295 5.263 12.690 2 HB THR 1 HB THR 1 -4.567 6.510 12.985 3 HG1 THR 1 1HG THR 1 -5.484 4.048 14.042 4 H1 THR 1 1HT THR 1 -5.521 3.770 11.966 5 H2 THR 1 2HT THR 1 -5.033 4.970 10.842 6 H3 THR 1 3HT THR 1 -6.594 4.268 10.727 7 HG21 THR 1 1HG2 THR 1 -5.387 6.342 15.453 8 HG22 THR 1 2HG2 THR 1 -6.981 6.264 14.705 9 HG23 THR 1 3HG2 THR 1 -5.937 7.654 14.412 10 H THR 2 H THR 2 -4.773 6.938 10.800 11 HA THR 2 HA THR 2 -6.478 9.261 10.517 12 HB THR 2 HB THR 2 -4.496 10.117 9.158 13 HG1 THR 2 1HG THR 2 -3.149 7.922 10.311 14 HG21 THR 2 3HG2 THR 2 -3.209 9.473 11.662 15 HG22 THR 2 1HG2 THR 2 -4.864 10.044 11.892 16 HG23 THR 2 2HG2 THR 2 -3.703 11.035 11.004 17 H TYR 3 H TYR 3 -7.383 9.991 8.620 18 HA TYR 3 HA TYR 3 -7.394 8.074 6.392 19 HD1 TYR 3 1HD TYR 3 -9.783 9.272 9.488 20 HD2 TYR 3 2HD TYR 3 -9.922 11.495 5.871 21 HE1 TYR 3 1HE TYR 3 -10.678 11.206 10.717 22 HE2 TYR 3 2HE TYR 3 -10.817 13.434 7.081 23 HH TYR 3 HH TYR 3 -10.852 14.317 9.374 24 HB2 TYR 3 2HB TYR 3 -9.640 9.084 5.842 25 HB3 TYR 3 1HB TYR 3 -9.584 8.164 7.338 26 H LYS 4 H LYS 4 -5.456 10.187 6.759 27 HA LYS 4 HA LYS 4 -5.748 11.451 4.173 28 HB2 LYS 4 2HB LYS 4 -6.807 12.892 6.140 29 HB3 LYS 4 1HB LYS 4 -5.130 13.360 6.371 30 HG2 LYS 4 2HG LYS 4 -6.185 13.482 3.616 31 HG3 LYS 4 1HG LYS 4 -6.776 14.684 4.768 32 HD2 LYS 4 2HD LYS 4 -4.940 15.826 4.127 33 HD3 LYS 4 1HD LYS 4 -4.126 14.762 5.279 34 HE2 LYS 4 2HE LYS 4 -2.803 14.536 3.401 35 HE3 LYS 4 1HE LYS 4 -3.891 13.159 3.266 36 HZ1 LYS 4 3HZ LYS 4 -4.113 13.979 1.188 37 HZ2 LYS 4 1HZ LYS 4 -3.745 15.571 1.635 38 HZ3 LYS 4 2HZ LYS 4 -5.291 14.947 1.926 39 H LEU 5 H LEU 5 -3.872 10.723 3.360 40 HA LEU 5 HA LEU 5 -1.405 11.701 4.522 41 HG LEU 5 HG LEU 5 -1.481 10.506 6.545 42 HB2 LEU 5 2HB LEU 5 -1.985 8.758 4.209 43 HB3 LEU 5 1HB LEU 5 -0.361 9.403 4.357 44 HD11 LEU 5 1HD1 LEU 5 -3.214 8.278 5.747 45 HD12 LEU 5 2HD1 LEU 5 -3.540 9.651 6.808 46 HD13 LEU 5 3HD1 LEU 5 -2.672 8.241 7.423 47 HD21 LEU 5 3HD2 LEU 5 -0.666 8.202 7.614 48 HD22 LEU 5 1HD2 LEU 5 0.447 9.426 7.002 49 HD23 LEU 5 2HD2 LEU 5 0.036 8.030 6.011 50 H ILE 6 H ILE 6 -0.841 12.834 2.744 51 HA ILE 6 HA ILE 6 -1.330 12.315 0.106 52 HB ILE 6 HB ILE 6 -0.169 14.356 1.169 53 HG12 ILE 6 2HG1 ILE 6 1.213 13.769 -1.375 54 HG13 ILE 6 1HG1 ILE 6 -0.535 13.561 -1.398 55 HG21 ILE 6 1HG2 ILE 6 1.855 12.615 1.685 56 HG22 ILE 6 2HG2 ILE 6 2.031 14.362 1.612 57 HG23 ILE 6 3HG2 ILE 6 2.419 13.379 0.202 58 HD11 ILE 6 3HD1 ILE 6 -0.234 15.759 -2.073 59 HD12 ILE 6 1HD1 ILE 6 1.062 16.042 -0.910 60 HD13 ILE 6 2HD1 ILE 6 -0.606 15.910 -0.355 61 H LEU 7 H LEU 7 1.035 10.789 2.143 62 HA LEU 7 HA LEU 7 1.752 9.022 -0.096 63 HG LEU 7 HG LEU 7 4.221 7.783 0.918 64 HB2 LEU 7 2HB LEU 7 3.567 10.679 0.380 65 HB3 LEU 7 1HB LEU 7 3.693 10.004 1.996 66 HD11 LEU 7 1HD1 LEU 7 4.412 9.542 -1.519 67 HD12 LEU 7 2HD1 LEU 7 3.375 8.131 -1.286 68 HD13 LEU 7 3HD1 LEU 7 5.124 7.926 -1.399 69 HD21 LEU 7 3HD2 LEU 7 5.848 9.657 1.790 70 HD22 LEU 7 1HD2 LEU 7 6.289 9.752 0.087 71 HD23 LEU 7 2HD2 LEU 7 6.465 8.234 0.956 72 H ASN 8 H ASN 8 2.068 6.869 0.423 73 HA ASN 8 HA ASN 8 2.050 5.982 3.160 74 HB2 ASN 8 2HB ASN 8 -0.390 6.494 2.512 75 HB3 ASN 8 1HB ASN 8 -0.274 5.079 1.471 76 HD21 ASN 8 1HD2 ASN 8 -1.386 6.046 4.323 77 HD22 ASN 8 2HD2 ASN 8 -1.238 4.589 5.239 78 H LEU 9 H LEU 9 3.885 5.646 1.090 79 HA LEU 9 HA LEU 9 3.523 3.027 -0.079 80 HG LEU 9 HG LEU 9 6.810 3.636 -1.897 81 HB2 LEU 9 2HB LEU 9 4.702 4.481 -1.470 82 HB3 LEU 9 1HB LEU 9 5.651 5.130 -0.146 83 HD11 LEU 9 1HD1 LEU 9 7.438 4.341 0.596 84 HD12 LEU 9 2HD1 LEU 9 8.463 3.309 -0.402 85 HD13 LEU 9 3HD1 LEU 9 7.389 2.589 0.798 86 HD21 LEU 9 3HD2 LEU 9 6.267 1.490 -2.079 87 HD22 LEU 9 1HD2 LEU 9 4.854 1.832 -1.084 88 HD23 LEU 9 2HD2 LEU 9 6.340 1.257 -0.332 89 H LYS 10 H LYS 10 5.672 4.497 2.323 90 HA LYS 10 HA LYS 10 7.105 2.207 3.016 91 HB2 LYS 10 2HB LYS 10 6.444 4.719 4.541 92 HB3 LYS 10 1HB LYS 10 7.441 3.447 5.232 93 HG2 LYS 10 2HG LYS 10 9.145 3.772 3.657 94 HG3 LYS 10 1HG LYS 10 8.098 4.717 2.596 95 HD2 LYS 10 2HD LYS 10 7.951 6.278 4.726 96 HD3 LYS 10 1HD LYS 10 9.500 5.517 5.097 97 HE2 LYS 10 2HE LYS 10 10.542 6.430 3.259 98 HE3 LYS 10 1HE LYS 10 9.035 6.606 2.360 99 HZ1 LYS 10 3HZ LYS 10 8.616 8.600 3.281 100 HZ2 LYS 10 1HZ LYS 10 10.290 8.634 3.522 101 HZ3 LYS 10 2HZ LYS 10 9.262 8.185 4.789 102 H GLN 11 H GLN 11 3.979 3.392 4.070 103 HA GLN 11 HA GLN 11 3.750 1.350 6.116 104 HB2 GLN 11 2HB GLN 11 2.188 3.740 5.304 105 HB3 GLN 11 1HB GLN 11 1.298 2.431 6.069 106 HG2 GLN 11 2HG GLN 11 1.911 3.242 8.030 107 HG3 GLN 11 1HG GLN 11 3.571 2.792 7.644 108 HE21 GLN 11 1HE2 GLN 11 1.973 5.179 8.912 109 HE22 GLN 11 2HE2 GLN 11 2.818 6.552 8.291 110 H ALA 12 H ALA 12 2.470 2.052 2.919 111 HA ALA 12 HA ALA 12 0.452 0.130 2.816 112 HB1 ALA 12 1HB ALA 12 0.400 1.577 1.020 113 HB2 ALA 12 2HB ALA 12 1.085 0.130 0.279 114 HB3 ALA 12 3HB ALA 12 2.138 1.466 0.744 115 H LYS 13 H LYS 13 3.922 -0.123 2.306 116 HA LYS 13 HA LYS 13 3.705 -2.912 1.569 117 HB2 LYS 13 2HB LYS 13 5.856 -2.804 0.842 118 HB3 LYS 13 1HB LYS 13 5.454 -1.098 0.758 119 HG2 LYS 13 2HG LYS 13 6.568 -1.857 3.342 120 HG3 LYS 13 1HG LYS 13 7.646 -2.189 1.987 121 HD2 LYS 13 2HD LYS 13 7.143 0.156 1.186 122 HD3 LYS 13 1HD LYS 13 6.395 0.428 2.762 123 HE2 LYS 13 2HE LYS 13 8.385 0.820 3.670 124 HE3 LYS 13 1HE LYS 13 8.954 -0.768 3.156 125 HZ1 LYS 13 3HZ LYS 13 8.867 1.272 1.092 126 HZ2 LYS 13 1HZ LYS 13 10.039 0.092 1.402 127 HZ3 LYS 13 2HZ LYS 13 10.013 1.517 2.311 128 H GLU 14 H GLU 14 4.671 -1.007 4.384 129 HA GLU 14 HA GLU 14 5.767 -3.072 5.920 130 HB2 GLU 14 2HB GLU 14 5.775 -1.584 7.647 131 HB3 GLU 14 1HB GLU 14 5.440 -0.447 6.355 132 HG2 GLU 14 2HG GLU 14 3.080 -0.492 6.882 133 HG3 GLU 14 1HG GLU 14 3.359 -1.711 8.123 134 H GLU 15 H GLU 15 2.424 -1.922 5.678 135 HA GLU 15 HA GLU 15 1.299 -3.887 7.378 136 HB2 GLU 15 2HB GLU 15 0.184 -1.742 6.672 137 HB3 GLU 15 1HB GLU 15 -0.036 -2.446 5.075 138 HG2 GLU 15 2HG GLU 15 -1.921 -3.382 5.740 139 HG3 GLU 15 1HG GLU 15 -1.041 -4.293 6.968 140 H ALA 16 H ALA 16 2.189 -3.726 4.019 141 HA ALA 16 HA ALA 16 0.804 -5.997 3.097 142 HB1 ALA 16 1HB ALA 16 3.422 -5.077 1.964 143 HB2 ALA 16 2HB ALA 16 1.947 -4.141 1.744 144 HB3 ALA 16 3HB ALA 16 2.041 -5.789 1.134 145 H ILE 17 H ILE 17 4.075 -5.544 4.421 146 HA ILE 17 HA ILE 17 5.035 -8.142 4.046 147 HB ILE 17 HB ILE 17 5.613 -6.306 6.384 148 HG12 ILE 17 2HG1 ILE 17 6.158 -5.161 4.345 149 HG13 ILE 17 1HG1 ILE 17 7.664 -5.733 5.052 150 HG21 ILE 17 1HG2 ILE 17 6.958 -7.878 7.183 151 HG22 ILE 17 2HG2 ILE 17 7.807 -7.981 5.643 152 HG23 ILE 17 3HG2 ILE 17 6.383 -8.981 5.932 153 HD11 ILE 17 3HD1 ILE 17 6.178 -7.033 2.783 154 HD12 ILE 17 1HD1 ILE 17 7.689 -7.603 3.490 155 HD13 ILE 17 2HD1 ILE 17 7.637 -6.053 2.649 156 H LYS 18 H LYS 18 3.256 -6.710 6.748 157 HA LYS 18 HA LYS 18 3.063 -9.036 8.314 158 HB2 LYS 18 2HB LYS 18 2.145 -7.587 9.744 159 HB3 LYS 18 1HB LYS 18 2.226 -6.357 8.496 160 HG2 LYS 18 2HG LYS 18 -0.001 -6.650 7.891 161 HG3 LYS 18 1HG LYS 18 -0.100 -8.232 8.670 162 HD2 LYS 18 2HD LYS 18 -0.451 -7.345 10.728 163 HD3 LYS 18 1HD LYS 18 0.570 -5.941 10.413 164 HE2 LYS 18 2HE LYS 18 -1.140 -4.806 9.286 165 HE3 LYS 18 1HE LYS 18 -2.082 -6.278 9.054 166 HZ1 LYS 18 3HZ LYS 18 -2.153 -6.264 11.632 167 HZ2 LYS 18 1HZ LYS 18 -3.199 -5.258 10.761 168 HZ3 LYS 18 2HZ LYS 18 -1.800 -4.618 11.464 169 H GLU 19 H GLU 19 1.250 -7.846 5.587 170 HA GLU 19 HA GLU 19 -0.987 -9.567 5.785 171 HB2 GLU 19 2HB GLU 19 0.020 -7.587 3.970 172 HB3 GLU 19 1HB GLU 19 -0.454 -9.007 3.051 173 HG2 GLU 19 2HG GLU 19 -2.307 -7.513 3.153 174 HG3 GLU 19 1HG GLU 19 -2.671 -8.917 4.157 175 H LEU 20 H LEU 20 1.978 -9.786 3.818 176 HA LEU 20 HA LEU 20 1.343 -12.408 2.880 177 HG LEU 20 HG LEU 20 2.675 -13.265 1.266 178 HB2 LEU 20 2HB LEU 20 3.049 -10.454 2.048 179 HB3 LEU 20 1HB LEU 20 4.167 -11.566 2.814 180 HD11 LEU 20 1HD1 LEU 20 2.348 -10.597 0.195 181 HD12 LEU 20 2HD1 LEU 20 1.566 -12.108 -0.272 182 HD13 LEU 20 3HD1 LEU 20 3.132 -11.678 -0.957 183 HD21 LEU 20 3HD2 LEU 20 5.298 -12.530 1.523 184 HD22 LEU 20 1HD2 LEU 20 4.950 -12.108 -0.153 185 HD23 LEU 20 2HD2 LEU 20 4.683 -13.755 0.415 186 H VAL 21 H VAL 21 3.233 -11.094 5.532 187 HA VAL 21 HA VAL 21 4.580 -13.477 6.240 188 HB VAL 21 HB VAL 21 3.834 -11.061 7.895 189 HG11 VAL 21 1HG1 VAL 21 5.082 -13.622 8.689 190 HG12 VAL 21 2HG1 VAL 21 4.134 -12.478 9.637 191 HG13 VAL 21 3HG1 VAL 21 5.833 -12.150 9.304 192 HG21 VAL 21 3HG2 VAL 21 5.595 -11.103 5.929 193 HG22 VAL 21 1HG2 VAL 21 6.621 -11.812 7.175 194 HG23 VAL 21 2HG2 VAL 21 5.907 -10.218 7.423 195 H ASP 22 H ASP 22 1.385 -12.243 6.885 196 HA ASP 22 HA ASP 22 0.850 -14.347 8.809 197 HB2 ASP 22 2HB ASP 22 -0.093 -12.115 9.221 198 HB3 ASP 22 1HB ASP 22 -0.978 -12.198 7.702 199 H ALA 23 H ALA 23 0.129 -13.501 5.477 200 HA ALA 23 HA ALA 23 -1.730 -15.684 5.133 201 HB1 ALA 23 1HB ALA 23 -1.534 -15.011 2.689 202 HB2 ALA 23 2HB ALA 23 -0.512 -13.688 3.248 203 HB3 ALA 23 3HB ALA 23 -2.184 -13.804 3.797 204 H GLY 24 H GLY 24 1.652 -15.337 5.098 205 HA2 GLY 24 2HA GLY 24 3.389 -16.633 4.310 206 HA3 GLY 24 1HA GLY 24 2.367 -17.934 4.912 207 H ILE 25 H ILE 25 3.220 -16.043 2.048 208 HA ILE 25 HA ILE 25 2.697 -18.395 0.415 209 HB ILE 25 HB ILE 25 1.729 -16.029 -0.984 210 HG12 ILE 25 2HG1 ILE 25 -0.547 -16.209 0.257 211 HG13 ILE 25 1HG1 ILE 25 0.406 -16.844 1.590 212 HG21 ILE 25 1HG2 ILE 25 -0.241 -17.687 -1.275 213 HG22 ILE 25 2HG2 ILE 25 0.849 -18.846 -0.515 214 HG23 ILE 25 3HG2 ILE 25 1.315 -18.056 -2.020 215 HD11 ILE 25 3HD1 ILE 25 -0.158 -14.271 1.330 216 HD12 ILE 25 1HD1 ILE 25 1.314 -14.314 0.364 217 HD13 ILE 25 2HD1 ILE 25 1.351 -14.839 2.047 218 H ALA 26 H ALA 26 3.033 -17.163 -2.096 219 HA ALA 26 HA ALA 26 5.707 -17.251 -2.531 220 HB1 ALA 26 1HB ALA 26 3.499 -15.860 -3.965 221 HB2 ALA 26 2HB ALA 26 4.514 -17.205 -4.485 222 HB3 ALA 26 3HB ALA 26 5.164 -15.563 -4.477 223 H GLU 27 H GLU 27 7.024 -16.251 -1.055 224 HA GLU 27 HA GLU 27 6.802 -13.694 -0.026 225 HB2 GLU 27 2HB GLU 27 8.744 -15.749 -0.014 226 HB3 GLU 27 1HB GLU 27 9.577 -14.282 -0.507 227 HG2 GLU 27 2HG GLU 27 9.478 -13.401 1.535 228 HG3 GLU 27 1HG GLU 27 7.796 -13.877 1.759 229 H LYS 28 H LYS 28 7.787 -14.716 -3.173 230 HA LYS 28 HA LYS 28 9.302 -12.652 -4.154 231 HB2 LYS 28 2HB LYS 28 8.934 -14.383 -5.664 232 HB3 LYS 28 1HB LYS 28 7.205 -14.415 -5.370 233 HG2 LYS 28 2HG LYS 28 6.950 -13.336 -7.275 234 HG3 LYS 28 1HG LYS 28 7.668 -11.921 -6.508 235 HD2 LYS 28 2HD LYS 28 9.926 -12.953 -7.149 236 HD3 LYS 28 1HD LYS 28 8.992 -13.999 -8.221 237 HE2 LYS 28 2HE LYS 28 8.431 -11.097 -8.362 238 HE3 LYS 28 1HE LYS 28 9.992 -11.633 -8.983 239 HZ1 LYS 28 3HZ LYS 28 7.343 -12.675 -9.833 240 HZ2 LYS 28 1HZ LYS 28 8.841 -13.189 -10.430 241 HZ3 LYS 28 2HZ LYS 28 8.314 -11.609 -10.717 242 H TYR 29 H TYR 29 5.770 -12.753 -3.833 243 HA TYR 29 HA TYR 29 5.285 -10.223 -4.952 244 HD1 TYR 29 1HD TYR 29 3.659 -13.300 -5.574 245 HD2 TYR 29 2HD TYR 29 2.175 -9.348 -5.044 246 HE1 TYR 29 1HE TYR 29 2.449 -13.476 -7.706 247 HE2 TYR 29 2HE TYR 29 0.960 -9.514 -7.175 248 HH TYR 29 HH TYR 29 1.005 -10.763 -9.229 249 HB2 TYR 29 2HB TYR 29 3.752 -12.185 -3.385 250 HB3 TYR 29 1HB TYR 29 3.213 -10.513 -3.212 251 H ILE 30 H ILE 30 6.264 -11.275 -1.785 252 HA ILE 30 HA ILE 30 5.716 -8.918 -0.347 253 HB ILE 30 HB ILE 30 6.711 -11.366 0.338 254 HG12 ILE 30 2HG1 ILE 30 6.925 -8.827 1.963 255 HG13 ILE 30 1HG1 ILE 30 5.467 -9.795 1.769 256 HG21 ILE 30 1HG2 ILE 30 8.993 -9.556 1.013 257 HG22 ILE 30 2HG2 ILE 30 8.988 -10.460 -0.499 258 HG23 ILE 30 3HG2 ILE 30 8.917 -11.317 1.040 259 HD11 ILE 30 3HD1 ILE 30 6.565 -10.207 3.906 260 HD12 ILE 30 1HD1 ILE 30 8.024 -10.720 3.059 261 HD13 ILE 30 2HD1 ILE 30 6.538 -11.656 2.901 262 H LYS 31 H LYS 31 8.171 -9.783 -2.633 263 HA LYS 31 HA LYS 31 9.985 -7.680 -1.941 264 HB2 LYS 31 2HB LYS 31 10.842 -9.677 -3.017 265 HB3 LYS 31 1HB LYS 31 9.804 -9.417 -4.411 266 HG2 LYS 31 2HG LYS 31 11.605 -8.455 -5.314 267 HG3 LYS 31 1HG LYS 31 11.176 -7.065 -4.314 268 HD2 LYS 31 2HD LYS 31 13.254 -7.262 -3.492 269 HD3 LYS 31 1HD LYS 31 12.600 -8.614 -2.565 270 HE2 LYS 31 2HE LYS 31 13.870 -8.848 -5.290 271 HE3 LYS 31 1HE LYS 31 14.699 -9.162 -3.764 272 HZ1 LYS 31 3HZ LYS 31 13.740 -11.142 -4.995 273 HZ2 LYS 31 1HZ LYS 31 12.217 -10.589 -4.506 274 HZ3 LYS 31 2HZ LYS 31 13.373 -11.021 -3.349 275 H LEU 32 H LEU 32 7.359 -8.087 -4.294 276 HA LEU 32 HA LEU 32 7.887 -5.752 -5.773 277 HG LEU 32 HG LEU 32 5.650 -8.509 -5.001 278 HB2 LEU 32 2HB LEU 32 5.033 -6.190 -5.505 279 HB3 LEU 32 1HB LEU 32 6.049 -6.246 -6.939 280 HD11 LEU 32 1HD1 LEU 32 4.551 -8.125 -7.776 281 HD12 LEU 32 2HD1 LEU 32 3.629 -8.000 -6.277 282 HD13 LEU 32 3HD1 LEU 32 4.333 -9.545 -6.753 283 HD21 LEU 32 3HD2 LEU 32 7.857 -8.307 -6.314 284 HD22 LEU 32 1HD2 LEU 32 6.876 -8.696 -7.726 285 HD23 LEU 32 2HD2 LEU 32 6.978 -9.834 -6.384 286 H ILE 33 H ILE 33 6.303 -6.294 -2.730 287 HA ILE 33 HA ILE 33 5.456 -3.510 -2.524 288 HB ILE 33 HB ILE 33 4.735 -4.303 -0.173 289 HG12 ILE 33 2HG1 ILE 33 5.080 -6.957 -1.575 290 HG13 ILE 33 1HG1 ILE 33 5.993 -6.396 -0.178 291 HG21 ILE 33 1HG2 ILE 33 2.701 -4.297 -1.048 292 HG22 ILE 33 2HG2 ILE 33 3.012 -5.764 -1.978 293 HG23 ILE 33 3HG2 ILE 33 3.472 -4.190 -2.630 294 HD11 ILE 33 3HD1 ILE 33 4.057 -8.026 0.173 295 HD12 ILE 33 1HD1 ILE 33 3.031 -6.615 -0.075 296 HD13 ILE 33 2HD1 ILE 33 4.208 -6.632 1.241 297 H ALA 34 H ALA 34 7.577 -5.801 -0.841 298 HA ALA 34 HA ALA 34 8.551 -4.058 1.100 299 HB1 ALA 34 1HB ALA 34 8.866 -6.499 1.148 300 HB2 ALA 34 2HB ALA 34 10.377 -5.624 1.387 301 HB3 ALA 34 3HB ALA 34 10.023 -6.361 -0.176 302 H ASN 35 H ASN 35 9.380 -4.436 -2.264 303 HA ASN 35 HA ASN 35 11.785 -2.843 -2.039 304 HB2 ASN 35 2HB ASN 35 11.832 -4.649 -3.623 305 HB3 ASN 35 1HB ASN 35 10.367 -4.064 -4.414 306 HD21 ASN 35 1HD2 ASN 35 13.759 -3.408 -3.825 307 HD22 ASN 35 2HD2 ASN 35 13.994 -2.379 -5.192 308 H ALA 36 H ALA 36 8.482 -2.209 -2.321 309 HA ALA 36 HA ALA 36 7.264 -0.334 -2.771 310 HB1 ALA 36 1HB ALA 36 8.928 0.510 -1.074 311 HB2 ALA 36 2HB ALA 36 8.215 1.742 -2.116 312 HB3 ALA 36 3HB ALA 36 9.855 1.168 -2.423 313 H LYS 37 H LYS 37 8.689 2.116 -4.009 314 HA LYS 37 HA LYS 37 9.411 2.879 -6.059 315 HB2 LYS 37 2HB LYS 37 10.085 0.280 -6.381 316 HB3 LYS 37 1HB LYS 37 8.802 0.419 -7.583 317 HG2 LYS 37 2HG LYS 37 11.134 2.312 -7.443 318 HG3 LYS 37 1HG LYS 37 11.145 0.832 -8.403 319 HD2 LYS 37 2HD LYS 37 10.239 2.035 -10.050 320 HD3 LYS 37 1HD LYS 37 8.758 2.060 -9.092 321 HE2 LYS 37 2HE LYS 37 8.978 4.291 -9.229 322 HE3 LYS 37 1HE LYS 37 10.156 4.075 -7.936 323 HZ1 LYS 37 3HZ LYS 37 11.071 3.831 -10.710 324 HZ2 LYS 37 1HZ LYS 37 11.901 4.391 -9.346 325 HZ3 LYS 37 2HZ LYS 37 10.757 5.379 -10.104 326 H THR 38 H THR 38 6.492 1.171 -5.442 327 HA THR 38 HA THR 38 5.063 3.036 -7.169 328 HB THR 38 HB THR 38 4.430 0.085 -7.213 329 HG1 THR 38 1HG THR 38 6.196 0.040 -8.382 330 HG21 THR 38 3HG2 THR 38 2.957 2.288 -8.074 331 HG22 THR 38 1HG2 THR 38 2.673 0.589 -8.452 332 HG23 THR 38 2HG2 THR 38 3.652 1.581 -9.533 333 H VAL 39 H VAL 39 4.654 3.934 -5.028 334 HA VAL 39 HA VAL 39 3.539 2.850 -2.820 335 HB VAL 39 HB VAL 39 3.955 5.262 -3.097 336 HG11 VAL 39 1HG1 VAL 39 2.806 5.382 -5.351 337 HG12 VAL 39 2HG1 VAL 39 2.490 6.711 -4.238 338 HG13 VAL 39 3HG1 VAL 39 1.287 5.439 -4.461 339 HG21 VAL 39 3HG2 VAL 39 1.134 5.260 -2.255 340 HG22 VAL 39 1HG2 VAL 39 2.581 5.779 -1.389 341 HG23 VAL 39 2HG2 VAL 39 2.165 4.065 -1.466 342 H GLU 40 H GLU 40 1.672 3.729 -5.729 343 HA GLU 40 HA GLU 40 -0.821 2.902 -4.739 344 HB2 GLU 40 2HB GLU 40 -1.201 4.127 -6.607 345 HB3 GLU 40 1HB GLU 40 0.298 3.630 -7.371 346 HG2 GLU 40 2HG GLU 40 -0.662 1.739 -8.307 347 HG3 GLU 40 1HG GLU 40 -2.000 1.727 -7.159 348 H GLY 41 H GLY 41 1.494 1.182 -6.847 349 HA2 GLY 41 2HA GLY 41 0.045 -1.233 -6.933 350 HA3 GLY 41 1HA GLY 41 1.770 -1.069 -7.221 351 H VAL 42 H VAL 42 2.480 -0.048 -4.651 352 HA VAL 42 HA VAL 42 3.053 -2.340 -3.238 353 HB VAL 42 HB VAL 42 2.565 0.353 -1.969 354 HG11 VAL 42 1HG1 VAL 42 4.786 -1.311 -1.053 355 HG12 VAL 42 2HG1 VAL 42 3.198 -2.038 -0.795 356 HG13 VAL 42 3HG1 VAL 42 3.559 -0.447 -0.125 357 HG21 VAL 42 3HG2 VAL 42 4.295 1.185 -3.094 358 HG22 VAL 42 1HG2 VAL 42 4.371 -0.300 -4.039 359 HG23 VAL 42 2HG2 VAL 42 5.317 -0.147 -2.561 360 H TRP 43 H TRP 43 0.271 -0.155 -2.825 361 HA TRP 43 HA TRP 43 -0.851 -1.813 -0.757 362 HD1 TRP 43 HD TRP 43 -3.664 -0.880 -3.446 363 HE1 TRP 43 1HE TRP 43 -4.318 0.971 -5.105 364 HE3 TRP 43 3HE TRP 43 -1.014 3.002 -1.427 365 HZ2 TRP 43 2HZ TRP 43 -3.791 3.707 -5.503 366 HZ3 TRP 43 3HZ TRP 43 -1.148 5.200 -2.504 367 HH2 TRP 43 HH TRP 43 -2.511 5.553 -4.503 368 HB2 TRP 43 2HB TRP 43 -2.646 -0.255 -0.638 369 HB3 TRP 43 1HB TRP 43 -1.176 0.680 -0.865 370 H THR 44 H THR 44 -1.074 -1.607 -4.221 371 HA THR 44 HA THR 44 -3.551 -3.081 -4.368 372 HB THR 44 HB THR 44 -1.636 -2.848 -6.664 373 HG1 THR 44 1HG THR 44 -1.916 -0.767 -6.824 374 HG21 THR 44 3HG2 THR 44 -3.408 -3.138 -7.992 375 HG22 THR 44 1HG2 THR 44 -4.461 -2.150 -6.981 376 HG23 THR 44 2HG2 THR 44 -4.147 -3.833 -6.550 377 H LEU 45 H LEU 45 -0.135 -3.806 -4.958 378 HA LEU 45 HA LEU 45 -0.455 -6.501 -5.664 379 HB2 LEU 45 2HB LEU 45 1.815 -4.881 -4.572 380 HB3 LEU 45 1HB LEU 45 1.976 -6.622 -4.704 381 HD11 LEU 45 1HD1 LEU 45 1.848 -6.758 -8.380 382 HD12 LEU 45 2HD1 LEU 45 0.350 -6.812 -7.452 383 HD13 LEU 45 3HD1 LEU 45 1.761 -7.717 -6.902 384 HD21 LEU 45 3HD2 LEU 45 1.820 -3.473 -6.700 385 HD22 LEU 45 1HD2 LEU 45 0.268 -4.267 -6.978 386 HD23 LEU 45 2HD2 LEU 45 1.514 -4.300 -8.228 387 H LYS 46 H LYS 46 -0.247 -4.864 -2.585 388 HA LYS 46 HA LYS 46 0.122 -7.170 -0.975 389 HB2 LYS 46 2HB LYS 46 0.665 -5.104 0.035 390 HB3 LYS 46 1HB LYS 46 -0.855 -4.369 -0.446 391 HG2 LYS 46 2HG LYS 46 -2.021 -5.892 1.140 392 HG3 LYS 46 1HG LYS 46 -0.438 -6.436 1.698 393 HD2 LYS 46 2HD LYS 46 -1.280 -4.729 3.187 394 HD3 LYS 46 1HD LYS 46 0.105 -4.097 2.296 395 HE2 LYS 46 2HE LYS 46 -1.153 -2.616 1.115 396 HE3 LYS 46 1HE LYS 46 -2.573 -3.662 1.112 397 HZ1 LYS 46 3HZ LYS 46 -1.685 -1.741 3.140 398 HZ2 LYS 46 1HZ LYS 46 -2.548 -3.104 3.649 399 HZ3 LYS 46 2HZ LYS 46 -3.239 -2.030 2.541 400 H ASP 47 H ASP 47 -2.781 -5.158 -1.494 401 HA ASP 47 HA ASP 47 -4.580 -6.894 -0.234 402 HB2 ASP 47 2HB ASP 47 -4.717 -4.457 -1.734 403 HB3 ASP 47 1HB ASP 47 -5.955 -5.557 -2.333 404 H GLU 48 H GLU 48 -3.288 -6.825 -3.475 405 HA GLU 48 HA GLU 48 -5.120 -8.750 -4.542 406 HB2 GLU 48 2HB GLU 48 -3.804 -6.979 -5.841 407 HB3 GLU 48 1HB GLU 48 -2.421 -8.055 -5.687 408 HG2 GLU 48 2HG GLU 48 -3.175 -9.452 -7.260 409 HG3 GLU 48 1HG GLU 48 -4.841 -9.355 -6.690 410 H ILE 49 H ILE 49 -1.663 -8.870 -3.618 411 HA ILE 49 HA ILE 49 -1.352 -11.601 -4.125 412 HB ILE 49 HB ILE 49 0.582 -10.122 -3.780 413 HG12 ILE 49 2HG1 ILE 49 1.920 -11.771 -2.544 414 HG13 ILE 49 1HG1 ILE 49 0.451 -12.476 -1.886 415 HG21 ILE 49 1HG2 ILE 49 1.217 -9.204 -1.783 416 HG22 ILE 49 2HG2 ILE 49 0.287 -10.364 -0.829 417 HG23 ILE 49 3HG2 ILE 49 -0.538 -9.060 -1.679 418 HD11 ILE 49 3HD1 ILE 49 1.611 -13.593 -3.910 419 HD12 ILE 49 1HD1 ILE 49 0.823 -12.318 -4.838 420 HD13 ILE 49 2HD1 ILE 49 -0.149 -13.440 -3.889 421 H LEU 50 H LEU 50 -2.900 -9.990 -1.490 422 HA LEU 50 HA LEU 50 -2.762 -12.287 0.257 423 HG LEU 50 HG LEU 50 -4.154 -12.057 2.330 424 HB2 LEU 50 2HB LEU 50 -3.124 -9.696 0.799 425 HB3 LEU 50 1HB LEU 50 -4.811 -10.164 0.656 426 HD11 LEU 50 1HD1 LEU 50 -2.410 -10.873 3.926 427 HD12 LEU 50 2HD1 LEU 50 -1.838 -10.211 2.394 428 HD13 LEU 50 3HD1 LEU 50 -1.900 -11.956 2.631 429 HD21 LEU 50 3HD2 LEU 50 -5.731 -10.583 3.117 430 HD22 LEU 50 1HD2 LEU 50 -4.703 -9.173 2.852 431 HD23 LEU 50 2HD2 LEU 50 -4.390 -10.250 4.213 432 H THR 51 H THR 51 -4.965 -10.884 -2.067 433 HA THR 51 HA THR 51 -7.209 -12.513 -1.489 434 HB THR 51 HB THR 51 -6.372 -10.900 -3.889 435 HG1 THR 51 1HG THR 51 -8.317 -10.636 -1.859 436 HG21 THR 51 3HG2 THR 51 -7.698 -12.690 -4.815 437 HG22 THR 51 1HG2 THR 51 -8.624 -11.190 -4.806 438 HG23 THR 51 2HG2 THR 51 -8.941 -12.431 -3.597 439 H PHE 52 H PHE 52 -4.227 -13.252 -3.069 440 HA PHE 52 HA PHE 52 -5.397 -15.429 -4.581 441 HD1 PHE 52 2HD PHE 52 -2.410 -14.748 -2.364 442 HD2 PHE 52 1HD PHE 52 -1.283 -16.004 -6.267 443 HE1 PHE 52 2HE PHE 52 -0.198 -15.402 -1.509 444 HE2 PHE 52 1HE PHE 52 0.927 -16.671 -5.418 445 HZ PHE 52 HZ PHE 52 1.472 -16.369 -3.037 446 HB2 PHE 52 2HB PHE 52 -3.503 -15.438 -5.831 447 HB3 PHE 52 1HB PHE 52 -3.283 -13.844 -5.131 448 H THR 53 H THR 53 -5.700 -15.493 -1.788 449 HA THR 53 HA THR 53 -5.232 -18.163 -1.218 450 HB THR 53 HB THR 53 -3.093 -16.295 -0.196 451 HG1 THR 53 1HG THR 53 -2.972 -18.961 -1.147 452 HG21 THR 53 3HG2 THR 53 -3.546 -17.186 1.859 453 HG22 THR 53 1HG2 THR 53 -2.436 -18.393 1.212 454 HG23 THR 53 2HG2 THR 53 -4.173 -18.693 1.194 455 H VAL 54 H VAL 54 -4.749 -15.274 0.783 456 HA VAL 54 HA VAL 54 -5.900 -14.379 2.492 457 HB VAL 54 HB VAL 54 -8.229 -15.621 1.035 458 HG11 VAL 54 1HG1 VAL 54 -8.129 -14.392 3.648 459 HG12 VAL 54 2HG1 VAL 54 -9.486 -15.167 2.823 460 HG13 VAL 54 3HG1 VAL 54 -9.144 -13.459 2.547 461 HG21 VAL 54 3HG2 VAL 54 -7.184 -13.980 -0.301 462 HG22 VAL 54 1HG2 VAL 54 -7.008 -12.874 1.062 463 HG23 VAL 54 2HG2 VAL 54 -8.607 -13.216 0.402 464 H THR 55 H THR 55 -7.721 -17.417 2.032 465 HA THR 55 HA THR 55 -6.891 -18.210 4.743 466 HB THR 55 HB THR 55 -9.645 -18.455 3.522 467 HG1 THR 55 1HG THR 55 -9.807 -16.587 4.451 468 HG21 THR 55 3HG2 THR 55 -10.276 -19.274 5.828 469 HG22 THR 55 1HG2 THR 55 -8.556 -19.579 6.080 470 HG23 THR 55 2HG2 THR 55 -9.417 -20.416 4.791 471 H GLU 56 H GLU 56 -8.976 -19.869 2.395 472 HA GLU 56 HA GLU 56 -8.802 -21.890 1.374 473 HB2 GLU 56 2HB GLU 56 -6.687 -20.629 0.519 474 HB3 GLU 56 1HB GLU 56 -5.816 -21.743 1.564 475 HG2 GLU 56 2HG GLU 56 -7.233 -23.547 0.301 476 HG3 GLU 56 1HG GLU 56 -7.354 -22.283 -0.923 Start of MODEL 16 1 HA THR 1 HA THR 1 1.369 6.492 13.409 2 HB THR 1 HB THR 1 -0.186 8.167 14.484 3 HG1 THR 1 1HG THR 1 1.469 9.026 15.909 4 H1 THR 1 1HT THR 1 2.813 7.076 15.888 5 H2 THR 1 2HT THR 1 3.608 6.512 14.477 6 H3 THR 1 3HT THR 1 2.388 5.561 15.220 7 HG21 THR 1 1HG2 THR 1 -1.333 6.548 15.499 8 HG22 THR 1 2HG2 THR 1 0.007 6.137 16.571 9 HG23 THR 1 3HG2 THR 1 -0.041 5.491 14.929 10 H THR 2 H THR 2 1.412 7.916 11.760 11 HA THR 2 HA THR 2 3.062 10.331 12.112 12 HB THR 2 HB THR 2 3.485 10.140 9.634 13 HG1 THR 2 1HG THR 2 2.016 8.821 8.813 14 HG21 THR 2 3HG2 THR 2 4.809 7.858 9.928 15 HG22 THR 2 1HG2 THR 2 4.482 8.207 11.626 16 HG23 THR 2 2HG2 THR 2 5.356 9.371 10.639 17 H TYR 3 H TYR 3 0.427 9.019 10.098 18 HA TYR 3 HA TYR 3 -1.428 9.990 9.196 19 HD1 TYR 3 1HD TYR 3 -3.711 12.475 9.629 20 HD2 TYR 3 2HD TYR 3 -2.912 9.056 12.039 21 HE1 TYR 3 1HE TYR 3 -6.077 11.826 9.495 22 HE2 TYR 3 2HE TYR 3 -5.281 8.408 11.903 23 HH TYR 3 HH TYR 3 -7.214 8.762 10.522 24 HB2 TYR 3 2HB TYR 3 -1.294 10.832 11.861 25 HB3 TYR 3 1HB TYR 3 -1.641 12.289 10.943 26 H LYS 4 H LYS 4 1.357 11.003 8.532 27 HA LYS 4 HA LYS 4 0.519 13.052 6.730 28 HB2 LYS 4 2HB LYS 4 0.793 14.322 8.868 29 HB3 LYS 4 1HB LYS 4 2.490 13.869 8.857 30 HG2 LYS 4 2HG LYS 4 1.829 15.002 6.334 31 HG3 LYS 4 1HG LYS 4 1.265 16.080 7.607 32 HD2 LYS 4 2HD LYS 4 3.358 16.638 8.221 33 HD3 LYS 4 1HD LYS 4 3.948 14.983 8.052 34 HE2 LYS 4 2HE LYS 4 5.028 16.524 6.465 35 HE3 LYS 4 1HE LYS 4 4.121 15.257 5.655 36 HZ1 LYS 4 3HZ LYS 4 2.328 16.807 5.274 37 HZ2 LYS 4 1HZ LYS 4 3.771 17.435 4.654 38 HZ3 LYS 4 2HZ LYS 4 3.148 18.021 6.115 39 H LEU 5 H LEU 5 1.374 11.450 5.311 40 HA LEU 5 HA LEU 5 4.319 11.409 5.228 41 HG LEU 5 HG LEU 5 4.116 9.521 6.704 42 HB2 LEU 5 2HB LEU 5 2.292 9.275 4.736 43 HB3 LEU 5 1HB LEU 5 3.761 9.256 3.777 44 HD11 LEU 5 1HD1 LEU 5 2.251 7.750 6.098 45 HD12 LEU 5 2HD1 LEU 5 3.478 7.421 7.315 46 HD13 LEU 5 3HD1 LEU 5 3.653 6.772 5.685 47 HD21 LEU 5 3HD2 LEU 5 6.064 8.256 6.305 48 HD22 LEU 5 1HD2 LEU 5 5.930 9.359 4.935 49 HD23 LEU 5 2HD2 LEU 5 5.461 7.675 4.754 50 H ILE 6 H ILE 6 5.143 10.931 2.947 51 HA ILE 6 HA ILE 6 4.084 12.948 1.203 52 HB ILE 6 HB ILE 6 6.243 10.936 0.561 53 HG12 ILE 6 2HG1 ILE 6 6.693 13.704 1.671 54 HG13 ILE 6 1HG1 ILE 6 6.576 12.295 2.714 55 HG21 ILE 6 1HG2 ILE 6 5.023 12.654 -1.111 56 HG22 ILE 6 2HG2 ILE 6 6.709 12.167 -1.275 57 HG23 ILE 6 3HG2 ILE 6 6.306 13.696 -0.490 58 HD11 ILE 6 3HD1 ILE 6 8.841 12.491 2.425 59 HD12 ILE 6 1HD1 ILE 6 8.691 13.039 0.754 60 HD13 ILE 6 2HD1 ILE 6 8.424 11.341 1.153 61 H LEU 7 H LEU 7 3.982 9.459 1.393 62 HA LEU 7 HA LEU 7 1.975 9.428 -0.720 63 HG LEU 7 HG LEU 7 3.733 10.096 -2.257 64 HB2 LEU 7 2HB LEU 7 4.436 7.675 -0.757 65 HB3 LEU 7 1HB LEU 7 3.045 7.480 -1.809 66 HD11 LEU 7 1HD1 LEU 7 6.265 9.669 -2.843 67 HD12 LEU 7 2HD1 LEU 7 6.149 8.556 -1.480 68 HD13 LEU 7 3HD1 LEU 7 5.775 10.266 -1.257 69 HD21 LEU 7 3HD2 LEU 7 3.117 8.647 -4.020 70 HD22 LEU 7 1HD2 LEU 7 4.476 7.560 -3.698 71 HD23 LEU 7 2HD2 LEU 7 4.763 9.174 -4.369 72 H ASN 8 H ASN 8 3.758 7.599 1.723 73 HA ASN 8 HA ASN 8 2.775 6.439 3.509 74 HB2 ASN 8 2HB ASN 8 0.475 7.253 2.672 75 HB3 ASN 8 1HB ASN 8 0.409 5.734 1.784 76 HD21 ASN 8 1HD2 ASN 8 0.702 7.145 4.986 77 HD22 ASN 8 2HD2 ASN 8 0.060 5.799 5.847 78 H LEU 9 H LEU 9 3.774 5.675 0.514 79 HA LEU 9 HA LEU 9 3.316 3.023 0.024 80 HG LEU 9 HG LEU 9 5.257 1.894 -1.224 81 HB2 LEU 9 2HB LEU 9 4.539 4.443 -1.478 82 HB3 LEU 9 1HB LEU 9 5.819 4.666 -0.296 83 HD11 LEU 9 1HD1 LEU 9 7.147 3.395 -2.892 84 HD12 LEU 9 2HD1 LEU 9 5.449 3.806 -3.130 85 HD13 LEU 9 3HD1 LEU 9 5.991 2.138 -3.332 86 HD21 LEU 9 3HD2 LEU 9 7.978 3.002 -1.081 87 HD22 LEU 9 1HD2 LEU 9 7.333 1.483 -0.457 88 HD23 LEU 9 2HD2 LEU 9 7.090 2.980 0.441 89 H LYS 10 H LYS 10 5.822 4.416 2.114 90 HA LYS 10 HA LYS 10 7.158 2.135 2.881 91 HB2 LYS 10 2HB LYS 10 6.680 4.790 4.128 92 HB3 LYS 10 1HB LYS 10 7.312 3.520 5.165 93 HG2 LYS 10 2HG LYS 10 8.609 4.079 2.534 94 HG3 LYS 10 1HG LYS 10 8.942 5.108 3.928 95 HD2 LYS 10 2HD LYS 10 9.124 2.435 4.819 96 HD3 LYS 10 1HD LYS 10 10.007 2.529 3.294 97 HE2 LYS 10 2HE LYS 10 11.696 3.219 4.615 98 HE3 LYS 10 1HE LYS 10 10.881 4.778 4.496 99 HZ1 LYS 10 3HZ LYS 10 11.512 3.634 6.804 100 HZ2 LYS 10 1HZ LYS 10 9.951 3.011 6.607 101 HZ3 LYS 10 2HZ LYS 10 10.198 4.683 6.625 102 H GLN 11 H GLN 11 4.070 3.363 3.956 103 HA GLN 11 HA GLN 11 3.855 1.357 6.045 104 HB2 GLN 11 2HB GLN 11 3.002 3.809 6.144 105 HB3 GLN 11 1HB GLN 11 1.646 3.206 5.201 106 HG2 GLN 11 2HG GLN 11 2.310 1.641 7.599 107 HG3 GLN 11 1HG GLN 11 1.713 3.272 7.892 108 HE21 GLN 11 1HE2 GLN 11 0.813 0.141 7.524 109 HE22 GLN 11 2HE2 GLN 11 -0.835 0.362 7.055 110 H ALA 12 H ALA 12 2.744 1.958 2.813 111 HA ALA 12 HA ALA 12 0.595 0.133 2.753 112 HB1 ALA 12 1HB ALA 12 1.135 1.925 1.042 113 HB2 ALA 12 2HB ALA 12 0.644 0.357 0.398 114 HB3 ALA 12 3HB ALA 12 2.347 0.814 0.401 115 H LYS 13 H LYS 13 4.053 -0.190 2.241 116 HA LYS 13 HA LYS 13 3.799 -2.986 1.539 117 HB2 LYS 13 2HB LYS 13 5.947 -2.913 0.796 118 HB3 LYS 13 1HB LYS 13 5.558 -1.205 0.683 119 HG2 LYS 13 2HG LYS 13 6.687 -1.936 3.271 120 HG3 LYS 13 1HG LYS 13 7.753 -2.282 1.910 121 HD2 LYS 13 2HD LYS 13 6.991 0.117 1.143 122 HD3 LYS 13 1HD LYS 13 6.686 0.317 2.869 123 HE2 LYS 13 2HE LYS 13 8.855 0.939 2.914 124 HE3 LYS 13 1HE LYS 13 9.136 -0.800 2.948 125 HZ1 LYS 13 3HZ LYS 13 8.976 -0.382 0.328 126 HZ2 LYS 13 1HZ LYS 13 10.430 -0.319 1.190 127 HZ3 LYS 13 2HZ LYS 13 9.609 1.110 0.814 128 H GLU 14 H GLU 14 4.741 -1.053 4.329 129 HA GLU 14 HA GLU 14 5.836 -3.147 5.859 130 HB2 GLU 14 2HB GLU 14 5.916 -1.657 7.606 131 HB3 GLU 14 1HB GLU 14 5.750 -0.537 6.268 132 HG2 GLU 14 2HG GLU 14 4.269 0.277 7.839 133 HG3 GLU 14 1HG GLU 14 3.231 -0.644 6.757 134 H GLU 15 H GLU 15 2.536 -1.871 5.632 135 HA GLU 15 HA GLU 15 1.378 -3.726 7.441 136 HB2 GLU 15 2HB GLU 15 0.272 -1.611 6.735 137 HB3 GLU 15 1HB GLU 15 0.088 -2.277 5.117 138 HG2 GLU 15 2HG GLU 15 -1.932 -2.895 5.838 139 HG3 GLU 15 1HG GLU 15 -1.062 -4.223 6.607 140 H ALA 16 H ALA 16 2.120 -3.693 4.038 141 HA ALA 16 HA ALA 16 0.680 -6.015 3.318 142 HB1 ALA 16 1HB ALA 16 3.112 -4.861 1.965 143 HB2 ALA 16 2HB ALA 16 1.463 -4.288 1.717 144 HB3 ALA 16 3HB ALA 16 1.903 -5.930 1.254 145 H ILE 17 H ILE 17 3.945 -5.416 4.499 146 HA ILE 17 HA ILE 17 5.037 -7.947 4.022 147 HB ILE 17 HB ILE 17 6.079 -5.691 5.028 148 HG12 ILE 17 2HG1 ILE 17 7.980 -7.306 5.903 149 HG13 ILE 17 1HG1 ILE 17 6.975 -8.537 5.146 150 HG21 ILE 17 1HG2 ILE 17 4.820 -6.297 7.237 151 HG22 ILE 17 2HG2 ILE 17 6.453 -5.643 7.295 152 HG23 ILE 17 3HG2 ILE 17 6.189 -7.376 7.486 153 HD11 ILE 17 3HD1 ILE 17 7.052 -6.994 3.081 154 HD12 ILE 17 1HD1 ILE 17 8.465 -7.970 3.478 155 HD13 ILE 17 2HD1 ILE 17 8.434 -6.255 3.890 156 H LYS 18 H LYS 18 2.977 -6.726 6.575 157 HA LYS 18 HA LYS 18 3.122 -9.103 8.179 158 HB2 LYS 18 2HB LYS 18 1.330 -6.680 8.189 159 HB3 LYS 18 1HB LYS 18 1.033 -8.047 9.253 160 HG2 LYS 18 2HG LYS 18 3.608 -7.633 9.818 161 HG3 LYS 18 1HG LYS 18 3.155 -5.995 9.345 162 HD2 LYS 18 2HD LYS 18 1.611 -5.790 11.065 163 HD3 LYS 18 1HD LYS 18 1.453 -7.537 11.264 164 HE2 LYS 18 2HE LYS 18 3.341 -7.701 12.534 165 HE3 LYS 18 1HE LYS 18 4.108 -6.308 11.772 166 HZ1 LYS 18 3HZ LYS 18 3.585 -5.519 13.853 167 HZ2 LYS 18 1HZ LYS 18 2.128 -6.371 13.951 168 HZ3 LYS 18 2HZ LYS 18 2.243 -5.004 12.959 169 H GLU 19 H GLU 19 1.120 -7.859 5.612 170 HA GLU 19 HA GLU 19 -1.046 -9.644 5.791 171 HB2 GLU 19 2HB GLU 19 -0.080 -7.630 3.977 172 HB3 GLU 19 1HB GLU 19 -0.608 -9.031 3.063 173 HG2 GLU 19 2HG GLU 19 -2.443 -7.540 3.237 174 HG3 GLU 19 1HG GLU 19 -2.775 -8.920 4.287 175 H LEU 20 H LEU 20 1.878 -9.767 3.763 176 HA LEU 20 HA LEU 20 1.283 -12.350 2.731 177 HG LEU 20 HG LEU 20 2.704 -13.203 1.197 178 HB2 LEU 20 2HB LEU 20 2.952 -10.412 1.939 179 HB3 LEU 20 1HB LEU 20 4.102 -11.398 2.819 180 HD11 LEU 20 1HD1 LEU 20 2.195 -10.799 0.071 181 HD12 LEU 20 2HD1 LEU 20 2.304 -12.317 -0.818 182 HD13 LEU 20 3HD1 LEU 20 3.698 -11.239 -0.740 183 HD21 LEU 20 3HD2 LEU 20 4.832 -13.837 1.131 184 HD22 LEU 20 1HD2 LEU 20 5.391 -12.232 1.598 185 HD23 LEU 20 2HD2 LEU 20 5.095 -12.602 -0.101 186 H VAL 21 H VAL 21 3.126 -11.177 5.490 187 HA VAL 21 HA VAL 21 4.408 -13.620 6.118 188 HB VAL 21 HB VAL 21 3.718 -11.216 7.802 189 HG11 VAL 21 1HG1 VAL 21 5.528 -12.458 9.333 190 HG12 VAL 21 2HG1 VAL 21 4.717 -13.868 8.652 191 HG13 VAL 21 3HG1 VAL 21 3.790 -12.665 9.546 192 HG21 VAL 21 3HG2 VAL 21 6.497 -12.116 7.358 193 HG22 VAL 21 1HG2 VAL 21 5.821 -10.488 7.391 194 HG23 VAL 21 2HG2 VAL 21 5.638 -11.488 5.951 195 H ASP 22 H ASP 22 1.235 -12.334 6.738 196 HA ASP 22 HA ASP 22 0.579 -14.449 8.591 197 HB2 ASP 22 2HB ASP 22 -0.568 -11.908 7.838 198 HB3 ASP 22 1HB ASP 22 -1.794 -13.171 7.762 199 H ALA 23 H ALA 23 -0.023 -13.581 5.232 200 HA ALA 23 HA ALA 23 -1.803 -15.785 4.754 201 HB1 ALA 23 1HB ALA 23 -0.473 -13.750 3.005 202 HB2 ALA 23 2HB ALA 23 -2.189 -13.982 3.338 203 HB3 ALA 23 3HB ALA 23 -1.329 -15.126 2.308 204 H GLY 24 H GLY 24 1.571 -15.441 4.982 205 HA2 GLY 24 2HA GLY 24 3.362 -16.744 4.338 206 HA3 GLY 24 1HA GLY 24 2.298 -18.033 4.885 207 H ILE 25 H ILE 25 3.576 -16.332 2.103 208 HA ILE 25 HA ILE 25 3.144 -18.670 0.475 209 HB ILE 25 HB ILE 25 2.214 -16.428 -1.106 210 HG12 ILE 25 2HG1 ILE 25 -0.079 -16.345 -0.071 211 HG13 ILE 25 1HG1 ILE 25 0.587 -17.157 1.339 212 HG21 ILE 25 1HG2 ILE 25 0.408 -18.679 -0.607 213 HG22 ILE 25 2HG2 ILE 25 2.025 -19.137 -1.146 214 HG23 ILE 25 3HG2 ILE 25 1.046 -18.044 -2.123 215 HD11 ILE 25 3HD1 ILE 25 2.305 -15.071 1.036 216 HD12 ILE 25 1HD1 ILE 25 0.906 -15.087 2.107 217 HD13 ILE 25 2HD1 ILE 25 0.778 -14.368 0.502 218 H ALA 26 H ALA 26 3.630 -17.538 -2.032 219 HA ALA 26 HA ALA 26 6.338 -17.501 -2.240 220 HB1 ALA 26 1HB ALA 26 5.789 -15.881 -4.298 221 HB2 ALA 26 2HB ALA 26 4.157 -16.440 -3.927 222 HB3 ALA 26 3HB ALA 26 5.422 -17.607 -4.307 223 H GLU 27 H GLU 27 7.475 -16.344 -0.737 224 HA GLU 27 HA GLU 27 7.049 -13.792 0.184 225 HB2 GLU 27 2HB GLU 27 9.726 -15.077 -0.393 226 HB3 GLU 27 1HB GLU 27 9.469 -13.690 0.656 227 HG2 GLU 27 2HG GLU 27 7.929 -15.196 2.004 228 HG3 GLU 27 1HG GLU 27 8.612 -16.532 1.080 229 H LYS 28 H LYS 28 8.222 -14.791 -2.911 230 HA LYS 28 HA LYS 28 9.592 -12.655 -3.911 231 HB2 LYS 28 2HB LYS 28 9.350 -14.452 -5.377 232 HB3 LYS 28 1HB LYS 28 7.615 -14.553 -5.131 233 HG2 LYS 28 2HG LYS 28 7.620 -13.705 -7.216 234 HG3 LYS 28 1HG LYS 28 7.694 -12.184 -6.330 235 HD2 LYS 28 2HD LYS 28 10.061 -12.032 -6.651 236 HD3 LYS 28 1HD LYS 28 10.125 -13.666 -7.318 237 HE2 LYS 28 2HE LYS 28 8.556 -11.427 -8.577 238 HE3 LYS 28 1HE LYS 28 10.230 -11.784 -8.996 239 HZ1 LYS 28 3HZ LYS 28 9.655 -13.780 -9.959 240 HZ2 LYS 28 1HZ LYS 28 8.334 -12.811 -10.382 241 HZ3 LYS 28 2HZ LYS 28 8.199 -13.913 -9.107 242 H TYR 29 H TYR 29 6.071 -12.966 -3.642 243 HA TYR 29 HA TYR 29 5.413 -10.523 -4.838 244 HD1 TYR 29 2HD TYR 29 3.388 -11.016 -6.269 245 HD2 TYR 29 1HD TYR 29 3.590 -14.248 -3.512 246 HE1 TYR 29 2HE TYR 29 2.706 -12.566 -8.049 247 HE2 TYR 29 1HE TYR 29 2.909 -15.808 -5.287 248 HH TYR 29 HH TYR 29 2.808 -14.904 -8.594 249 HB2 TYR 29 2HB TYR 29 3.920 -12.085 -2.733 250 HB3 TYR 29 1HB TYR 29 3.248 -10.742 -3.657 251 H ILE 30 H ILE 30 6.432 -11.365 -1.612 252 HA ILE 30 HA ILE 30 5.747 -8.969 -0.304 253 HB ILE 30 HB ILE 30 6.804 -11.316 0.542 254 HG12 ILE 30 2HG1 ILE 30 7.029 -8.682 2.009 255 HG13 ILE 30 1HG1 ILE 30 5.560 -9.643 1.870 256 HG21 ILE 30 1HG2 ILE 30 9.016 -11.230 1.171 257 HG22 ILE 30 2HG2 ILE 30 9.075 -9.468 1.119 258 HG23 ILE 30 3HG2 ILE 30 9.064 -10.394 -0.382 259 HD11 ILE 30 3HD1 ILE 30 8.070 -10.270 3.379 260 HD12 ILE 30 1HD1 ILE 30 6.884 -11.512 2.980 261 HD13 ILE 30 2HD1 ILE 30 6.418 -10.138 3.981 262 H LYS 31 H LYS 31 8.278 -9.822 -2.508 263 HA LYS 31 HA LYS 31 9.982 -7.605 -1.894 264 HB2 LYS 31 2HB LYS 31 10.918 -9.626 -2.886 265 HB3 LYS 31 1HB LYS 31 9.912 -9.422 -4.312 266 HG2 LYS 31 2HG LYS 31 11.789 -8.495 -5.140 267 HG3 LYS 31 1HG LYS 31 11.171 -7.055 -4.323 268 HD2 LYS 31 2HD LYS 31 13.285 -7.068 -3.473 269 HD3 LYS 31 1HD LYS 31 12.505 -8.112 -2.284 270 HE2 LYS 31 2HE LYS 31 14.460 -9.255 -2.868 271 HE3 LYS 31 1HE LYS 31 13.193 -10.051 -3.801 272 HZ1 LYS 31 3HZ LYS 31 13.833 -8.683 -5.714 273 HZ2 LYS 31 1HZ LYS 31 15.110 -9.656 -5.177 274 HZ3 LYS 31 2HZ LYS 31 15.093 -8.004 -4.813 275 H LEU 32 H LEU 32 7.374 -8.235 -4.198 276 HA LEU 32 HA LEU 32 7.775 -5.984 -5.834 277 HG LEU 32 HG LEU 32 5.786 -8.851 -4.970 278 HB2 LEU 32 2HB LEU 32 4.948 -6.599 -5.354 279 HB3 LEU 32 1HB LEU 32 5.846 -6.519 -6.864 280 HD11 LEU 32 1HD1 LEU 32 3.782 -9.121 -5.953 281 HD12 LEU 32 2HD1 LEU 32 4.767 -9.790 -7.254 282 HD13 LEU 32 3HD1 LEU 32 4.207 -8.119 -7.341 283 HD21 LEU 32 3HD2 LEU 32 7.899 -8.899 -5.999 284 HD22 LEU 32 1HD2 LEU 32 7.242 -8.375 -7.549 285 HD23 LEU 32 2HD2 LEU 32 6.899 -9.998 -6.949 286 H ILE 33 H ILE 33 6.216 -6.396 -2.743 287 HA ILE 33 HA ILE 33 5.332 -3.621 -2.686 288 HB ILE 33 HB ILE 33 4.668 -4.322 -0.267 289 HG12 ILE 33 2HG1 ILE 33 4.845 -7.026 -1.610 290 HG13 ILE 33 1HG1 ILE 33 5.921 -6.457 -0.338 291 HG21 ILE 33 1HG2 ILE 33 3.355 -4.239 -2.699 292 HG22 ILE 33 2HG2 ILE 33 2.615 -4.302 -1.100 293 HG23 ILE 33 3HG2 ILE 33 2.884 -5.792 -2.005 294 HD11 ILE 33 3HD1 ILE 33 4.161 -7.944 0.482 295 HD12 ILE 33 1HD1 ILE 33 2.958 -6.773 -0.059 296 HD13 ILE 33 2HD1 ILE 33 4.107 -6.338 1.209 297 H ALA 34 H ALA 34 7.526 -5.769 -0.915 298 HA ALA 34 HA ALA 34 8.474 -3.888 0.919 299 HB1 ALA 34 1HB ALA 34 9.996 -6.236 -0.208 300 HB2 ALA 34 2HB ALA 34 8.813 -6.333 1.098 301 HB3 ALA 34 3HB ALA 34 10.300 -5.410 1.321 302 H ASN 35 H ASN 35 9.279 -4.469 -2.421 303 HA ASN 35 HA ASN 35 11.681 -2.864 -2.329 304 HB2 ASN 35 2HB ASN 35 11.630 -4.767 -3.829 305 HB3 ASN 35 1HB ASN 35 10.205 -4.129 -4.646 306 HD21 ASN 35 1HD2 ASN 35 13.395 -2.891 -3.683 307 HD22 ASN 35 2HD2 ASN 35 13.779 -2.204 -5.221 308 H ALA 36 H ALA 36 8.361 -2.242 -2.621 309 HA ALA 36 HA ALA 36 7.168 -0.345 -3.051 310 HB1 ALA 36 1HB ALA 36 8.933 0.613 -1.561 311 HB2 ALA 36 2HB ALA 36 8.237 1.765 -2.700 312 HB3 ALA 36 3HB ALA 36 9.828 1.075 -3.008 313 H LYS 37 H LYS 37 8.710 1.924 -4.621 314 HA LYS 37 HA LYS 37 9.262 2.438 -6.795 315 HB2 LYS 37 2HB LYS 37 9.924 -0.061 -6.986 316 HB3 LYS 37 1HB LYS 37 8.354 -0.254 -7.767 317 HG2 LYS 37 2HG LYS 37 9.893 1.966 -8.850 318 HG3 LYS 37 1HG LYS 37 10.712 0.412 -9.007 319 HD2 LYS 37 2HD LYS 37 9.143 -0.426 -10.431 320 HD3 LYS 37 1HD LYS 37 7.833 0.510 -9.710 321 HE2 LYS 37 2HE LYS 37 8.312 1.280 -11.971 322 HE3 LYS 37 1HE LYS 37 8.681 2.533 -10.786 323 HZ1 LYS 37 3HZ LYS 37 11.048 1.452 -10.939 324 HZ2 LYS 37 1HZ LYS 37 10.545 2.610 -12.066 325 HZ3 LYS 37 2HZ LYS 37 10.500 0.968 -12.464 326 H THR 38 H THR 38 6.284 1.245 -5.662 327 HA THR 38 HA THR 38 4.868 3.079 -7.346 328 HB THR 38 HB THR 38 4.905 1.236 -8.896 329 HG1 THR 38 1HG THR 38 2.882 2.400 -8.481 330 HG21 THR 38 3HG2 THR 38 3.606 -0.883 -8.224 331 HG22 THR 38 1HG2 THR 38 4.039 -0.439 -6.576 332 HG23 THR 38 2HG2 THR 38 5.303 -0.741 -7.770 333 H VAL 39 H VAL 39 4.575 3.904 -5.202 334 HA VAL 39 HA VAL 39 3.535 2.807 -2.966 335 HB VAL 39 HB VAL 39 4.003 5.204 -3.175 336 HG11 VAL 39 1HG1 VAL 39 2.852 5.443 -5.402 337 HG12 VAL 39 2HG1 VAL 39 2.551 6.738 -4.242 338 HG13 VAL 39 3HG1 VAL 39 1.328 5.489 -4.515 339 HG21 VAL 39 3HG2 VAL 39 2.776 5.572 -1.352 340 HG22 VAL 39 1HG2 VAL 39 2.015 4.008 -1.645 341 HG23 VAL 39 2HG2 VAL 39 1.269 5.482 -2.264 342 H GLU 40 H GLU 40 1.513 3.849 -5.728 343 HA GLU 40 HA GLU 40 -0.940 3.051 -4.617 344 HB2 GLU 40 2HB GLU 40 0.021 3.949 -7.210 345 HB3 GLU 40 1HB GLU 40 -1.201 2.693 -7.380 346 HG2 GLU 40 2HG GLU 40 -2.812 3.958 -6.229 347 HG3 GLU 40 1HG GLU 40 -1.604 5.094 -5.635 348 H GLY 41 H GLY 41 1.408 1.329 -6.630 349 HA2 GLY 41 2HA GLY 41 -0.111 -1.065 -6.844 350 HA3 GLY 41 1HA GLY 41 1.618 -0.908 -7.121 351 H VAL 42 H VAL 42 2.537 -0.090 -4.651 352 HA VAL 42 HA VAL 42 2.967 -2.384 -3.233 353 HB VAL 42 HB VAL 42 2.619 0.272 -1.848 354 HG11 VAL 42 1HG1 VAL 42 3.335 -2.207 -0.889 355 HG12 VAL 42 2HG1 VAL 42 3.679 -0.659 -0.117 356 HG13 VAL 42 3HG1 VAL 42 4.888 -1.414 -1.158 357 HG21 VAL 42 3HG2 VAL 42 4.012 1.004 -3.495 358 HG22 VAL 42 1HG2 VAL 42 4.655 -0.605 -3.821 359 HG23 VAL 42 2HG2 VAL 42 5.215 0.301 -2.415 360 H TRP 43 H TRP 43 0.275 -0.124 -2.869 361 HA TRP 43 HA TRP 43 -0.915 -1.596 -0.702 362 HD1 TRP 43 HD TRP 43 -4.380 -1.217 -1.539 363 HE1 TRP 43 1HE TRP 43 -5.853 -0.870 0.543 364 HE3 TRP 43 3HE TRP 43 -1.299 1.870 1.131 365 HZ2 TRP 43 2HZ TRP 43 -5.725 0.527 2.993 366 HZ3 TRP 43 3HZ TRP 43 -2.049 2.667 3.333 367 HH2 TRP 43 HH TRP 43 -4.218 2.008 4.244 368 HB2 TRP 43 2HB TRP 43 -1.148 0.900 -1.066 369 HB3 TRP 43 1HB TRP 43 -2.233 0.524 -2.402 370 H THR 44 H THR 44 -1.263 -1.466 -4.201 371 HA THR 44 HA THR 44 -3.703 -3.008 -4.205 372 HB THR 44 HB THR 44 -1.924 -2.698 -6.603 373 HG1 THR 44 1HG THR 44 -2.647 -0.642 -6.899 374 HG21 THR 44 3HG2 THR 44 -3.759 -3.782 -7.363 375 HG22 THR 44 1HG2 THR 44 -4.344 -2.125 -7.498 376 HG23 THR 44 2HG2 THR 44 -4.812 -3.114 -6.115 377 H LEU 45 H LEU 45 -0.304 -3.637 -4.915 378 HA LEU 45 HA LEU 45 -0.550 -6.317 -5.682 379 HB2 LEU 45 2HB LEU 45 1.573 -4.472 -5.035 380 HB3 LEU 45 1HB LEU 45 1.911 -6.045 -4.340 381 HD11 LEU 45 1HD1 LEU 45 1.413 -5.770 -8.545 382 HD12 LEU 45 2HD1 LEU 45 0.560 -4.664 -7.470 383 HD13 LEU 45 3HD1 LEU 45 0.074 -6.357 -7.560 384 HD21 LEU 45 3HD2 LEU 45 3.153 -4.576 -7.420 385 HD22 LEU 45 1HD2 LEU 45 3.882 -6.170 -7.233 386 HD23 LEU 45 2HD2 LEU 45 3.715 -5.108 -5.836 387 H LYS 46 H LYS 46 -0.328 -4.761 -2.560 388 HA LYS 46 HA LYS 46 0.078 -7.108 -1.018 389 HB2 LYS 46 2HB LYS 46 0.634 -5.066 0.026 390 HB3 LYS 46 1HB LYS 46 -0.891 -4.321 -0.413 391 HG2 LYS 46 2HG LYS 46 -1.995 -5.971 1.160 392 HG3 LYS 46 1HG LYS 46 -0.372 -6.353 1.734 393 HD2 LYS 46 2HD LYS 46 -0.708 -4.672 3.187 394 HD3 LYS 46 1HD LYS 46 -0.379 -3.619 1.810 395 HE2 LYS 46 2HE LYS 46 -2.846 -3.699 1.308 396 HE3 LYS 46 1HE LYS 46 -3.057 -4.502 2.863 397 HZ1 LYS 46 3HZ LYS 46 -1.592 -2.362 3.545 398 HZ2 LYS 46 1HZ LYS 46 -3.282 -2.422 3.620 399 HZ3 LYS 46 2HZ LYS 46 -2.518 -1.724 2.281 400 H ASP 47 H ASP 47 -2.835 -5.083 -1.391 401 HA ASP 47 HA ASP 47 -4.617 -6.839 -0.159 402 HB2 ASP 47 2HB ASP 47 -4.847 -4.515 -1.978 403 HB3 ASP 47 1HB ASP 47 -6.236 -5.598 -1.946 404 H GLU 48 H GLU 48 -3.370 -6.736 -3.416 405 HA GLU 48 HA GLU 48 -5.211 -8.660 -4.473 406 HB2 GLU 48 2HB GLU 48 -3.916 -6.870 -5.773 407 HB3 GLU 48 1HB GLU 48 -2.535 -7.951 -5.658 408 HG2 GLU 48 2HG GLU 48 -3.306 -8.693 -7.631 409 HG3 GLU 48 1HG GLU 48 -4.363 -9.664 -6.608 410 H ILE 49 H ILE 49 -1.732 -8.771 -3.631 411 HA ILE 49 HA ILE 49 -1.426 -11.499 -4.144 412 HB ILE 49 HB ILE 49 0.524 -10.048 -3.849 413 HG12 ILE 49 2HG1 ILE 49 1.886 -11.654 -2.644 414 HG13 ILE 49 1HG1 ILE 49 0.470 -12.294 -1.826 415 HG21 ILE 49 1HG2 ILE 49 1.194 -9.078 -1.886 416 HG22 ILE 49 2HG2 ILE 49 0.254 -10.193 -0.887 417 HG23 ILE 49 3HG2 ILE 49 -0.558 -8.907 -1.777 418 HD11 ILE 49 3HD1 ILE 49 1.055 -12.483 -4.770 419 HD12 ILE 49 1HD1 ILE 49 -0.401 -13.086 -3.977 420 HD13 ILE 49 2HD1 ILE 49 1.172 -13.782 -3.585 421 H LEU 50 H LEU 50 -2.918 -9.888 -1.482 422 HA LEU 50 HA LEU 50 -2.745 -12.168 0.276 423 HG LEU 50 HG LEU 50 -4.274 -11.914 2.336 424 HB2 LEU 50 2HB LEU 50 -3.074 -9.604 0.839 425 HB3 LEU 50 1HB LEU 50 -4.774 -10.012 0.654 426 HD11 LEU 50 1HD1 LEU 50 -1.789 -10.336 2.354 427 HD12 LEU 50 2HD1 LEU 50 -2.057 -12.038 2.727 428 HD13 LEU 50 3HD1 LEU 50 -2.429 -10.803 3.930 429 HD21 LEU 50 3HD2 LEU 50 -4.554 -8.994 2.896 430 HD22 LEU 50 1HD2 LEU 50 -4.388 -10.130 4.234 431 HD23 LEU 50 2HD2 LEU 50 -5.728 -10.295 3.099 432 H THR 51 H THR 51 -4.960 -10.835 -2.061 433 HA THR 51 HA THR 51 -7.209 -12.420 -1.402 434 HB THR 51 HB THR 51 -6.399 -10.899 -3.871 435 HG1 THR 51 1HG THR 51 -7.094 -9.747 -2.003 436 HG21 THR 51 3HG2 THR 51 -8.634 -11.178 -4.761 437 HG22 THR 51 1HG2 THR 51 -9.029 -12.294 -3.454 438 HG23 THR 51 2HG2 THR 51 -7.807 -12.732 -4.645 439 H PHE 52 H PHE 52 -4.285 -13.189 -3.124 440 HA PHE 52 HA PHE 52 -5.510 -15.411 -4.516 441 HD1 PHE 52 1HD PHE 52 -2.365 -14.562 -2.463 442 HD2 PHE 52 2HD PHE 52 -1.543 -16.216 -6.293 443 HE1 PHE 52 1HE PHE 52 -0.130 -15.240 -1.682 444 HE2 PHE 52 2HE PHE 52 0.684 -16.915 -5.518 445 HZ PHE 52 HZ PHE 52 1.393 -16.426 -3.211 446 HB2 PHE 52 2HB PHE 52 -3.664 -15.443 -5.831 447 HB3 PHE 52 1HB PHE 52 -3.400 -13.846 -5.155 448 H THR 53 H THR 53 -5.970 -15.649 -1.882 449 HA THR 53 HA THR 53 -5.145 -18.261 -1.328 450 HB THR 53 HB THR 53 -3.596 -16.099 0.108 451 HG1 THR 53 1HG THR 53 -2.195 -16.892 -1.225 452 HG21 THR 53 3HG2 THR 53 -4.543 -18.619 1.237 453 HG22 THR 53 1HG2 THR 53 -3.885 -17.188 2.030 454 HG23 THR 53 2HG2 THR 53 -2.798 -18.386 1.331 455 H VAL 54 H VAL 54 -5.617 -15.382 0.735 456 HA VAL 54 HA VAL 54 -7.607 -16.748 2.262 457 HB VAL 54 HB VAL 54 -7.101 -13.789 2.416 458 HG11 VAL 54 1HG1 VAL 54 -7.815 -15.807 4.538 459 HG12 VAL 54 2HG1 VAL 54 -8.974 -14.777 3.694 460 HG13 VAL 54 3HG1 VAL 54 -7.740 -14.056 4.725 461 HG21 VAL 54 3HG2 VAL 54 -5.416 -16.012 3.553 462 HG22 VAL 54 1HG2 VAL 54 -5.367 -14.352 4.145 463 HG23 VAL 54 2HG2 VAL 54 -4.906 -14.707 2.481 464 H THR 55 H THR 55 -7.847 -13.570 0.665 465 HA THR 55 HA THR 55 -10.652 -13.591 0.558 466 HB THR 55 HB THR 55 -9.159 -12.056 -1.503 467 HG1 THR 55 1HG THR 55 -7.931 -11.045 -0.143 468 HG21 THR 55 3HG2 THR 55 -10.510 -10.211 -0.220 469 HG22 THR 55 1HG2 THR 55 -11.454 -11.601 0.310 470 HG23 THR 55 2HG2 THR 55 -11.283 -11.259 -1.410 471 H GLU 56 H GLU 56 -11.651 -15.270 -0.408 472 HA GLU 56 HA GLU 56 -12.440 -16.630 -2.052 473 HB2 GLU 56 2HB GLU 56 -11.306 -14.378 -3.706 474 HB3 GLU 56 1HB GLU 56 -12.099 -15.766 -4.445 475 HG2 GLU 56 2HG GLU 56 -14.103 -14.932 -4.037 476 HG3 GLU 56 1HG GLU 56 -13.727 -14.694 -2.331 Start of MODEL 17 1 HA THR 1 HA THR 1 8.723 19.670 -1.273 2 HB THR 1 HB THR 1 5.990 20.606 -2.117 3 HG1 THR 1 1HG THR 1 6.732 22.546 -2.119 4 H1 THR 1 1HT THR 1 9.520 20.072 -3.382 5 H2 THR 1 2HT THR 1 8.780 21.535 -2.872 6 H3 THR 1 3HT THR 1 7.974 20.502 -3.980 7 HG21 THR 1 1HG2 THR 1 5.553 20.868 0.199 8 HG22 THR 1 2HG2 THR 1 7.244 20.565 0.615 9 HG23 THR 1 3HG2 THR 1 6.250 19.260 -0.032 10 H THR 2 H THR 2 7.493 17.797 -0.601 11 HA THR 2 HA THR 2 6.414 16.235 -2.850 12 HB THR 2 HB THR 2 7.395 14.203 -1.703 13 HG1 THR 2 1HG THR 2 8.714 16.225 -0.227 14 HG21 THR 2 3HG2 THR 2 9.529 16.160 -2.497 15 HG22 THR 2 1HG2 THR 2 8.489 15.336 -3.660 16 HG23 THR 2 2HG2 THR 2 9.559 14.398 -2.614 17 H TYR 3 H TYR 3 6.643 16.276 0.709 18 HA TYR 3 HA TYR 3 5.122 15.821 2.337 19 HD1 TYR 3 1HD TYR 3 1.698 15.396 2.668 20 HD2 TYR 3 2HD TYR 3 4.015 18.966 2.626 21 HE1 TYR 3 1HE TYR 3 0.680 16.080 4.803 22 HE2 TYR 3 2HE TYR 3 3.006 19.654 4.767 23 HH TYR 3 HH TYR 3 1.731 17.947 6.827 24 HB2 TYR 3 2HB TYR 3 3.923 17.601 0.701 25 HB3 TYR 3 1HB TYR 3 2.782 16.271 0.584 26 H LYS 4 H LYS 4 5.869 13.742 0.259 27 HA LYS 4 HA LYS 4 4.164 11.679 1.270 28 HB2 LYS 4 2HB LYS 4 2.783 12.664 -0.578 29 HB3 LYS 4 1HB LYS 4 4.051 12.203 -1.706 30 HG2 LYS 4 2HG LYS 4 3.662 9.827 -0.574 31 HG3 LYS 4 1HG LYS 4 2.065 10.527 -0.286 32 HD2 LYS 4 2HD LYS 4 1.796 9.515 -2.352 33 HD3 LYS 4 1HD LYS 4 2.171 11.182 -2.795 34 HE2 LYS 4 2HE LYS 4 4.655 10.153 -2.693 35 HE3 LYS 4 1HE LYS 4 3.754 8.713 -3.153 36 HZ1 LYS 4 3HZ LYS 4 2.713 10.485 -4.833 37 HZ2 LYS 4 1HZ LYS 4 4.073 9.539 -5.202 38 HZ3 LYS 4 2HZ LYS 4 4.264 11.134 -4.666 39 H LEU 5 H LEU 5 6.280 11.026 1.957 40 HA LEU 5 HA LEU 5 7.755 9.617 -0.164 41 HG LEU 5 HG LEU 5 8.044 12.529 0.418 42 HB2 LEU 5 2HB LEU 5 9.079 10.887 2.219 43 HB3 LEU 5 1HB LEU 5 9.852 10.187 0.812 44 HD11 LEU 5 1HD1 LEU 5 10.584 12.547 1.919 45 HD12 LEU 5 2HD1 LEU 5 9.208 13.645 1.990 46 HD13 LEU 5 3HD1 LEU 5 10.386 13.789 0.688 47 HD21 LEU 5 3HD2 LEU 5 10.270 11.168 -0.974 48 HD22 LEU 5 1HD2 LEU 5 10.186 12.928 -1.137 49 HD23 LEU 5 2HD2 LEU 5 8.815 11.930 -1.624 50 H ILE 6 H ILE 6 7.496 9.882 3.381 51 HA ILE 6 HA ILE 6 7.413 6.941 3.497 52 HB ILE 6 HB ILE 6 8.791 8.695 5.519 53 HG12 ILE 6 2HG1 ILE 6 10.196 6.805 3.661 54 HG13 ILE 6 1HG1 ILE 6 9.847 8.458 3.161 55 HG21 ILE 6 1HG2 ILE 6 8.036 5.877 5.427 56 HG22 ILE 6 2HG2 ILE 6 8.476 6.892 6.805 57 HG23 ILE 6 3HG2 ILE 6 9.736 6.145 5.825 58 HD11 ILE 6 3HD1 ILE 6 11.828 7.434 5.068 59 HD12 ILE 6 1HD1 ILE 6 10.995 8.910 5.553 60 HD13 ILE 6 2HD1 ILE 6 11.874 8.854 4.023 61 H LEU 7 H LEU 7 5.179 6.889 3.733 62 HA LEU 7 HA LEU 7 4.172 7.112 6.342 63 HG LEU 7 HG LEU 7 1.894 8.280 6.758 64 HB2 LEU 7 2HB LEU 7 4.320 9.555 5.618 65 HB3 LEU 7 1HB LEU 7 3.021 9.191 4.508 66 HD11 LEU 7 1HD1 LEU 7 2.618 9.192 8.684 67 HD12 LEU 7 2HD1 LEU 7 3.130 10.688 7.906 68 HD13 LEU 7 3HD1 LEU 7 4.156 9.256 7.821 69 HD21 LEU 7 3HD2 LEU 7 1.095 10.791 6.972 70 HD22 LEU 7 1HD2 LEU 7 0.605 9.773 5.628 71 HD23 LEU 7 2HD2 LEU 7 1.923 10.929 5.423 72 H ASN 8 H ASN 8 3.421 7.101 2.895 73 HA ASN 8 HA ASN 8 1.060 5.441 3.463 74 HB2 ASN 8 2HB ASN 8 0.504 5.976 1.015 75 HB3 ASN 8 1HB ASN 8 0.352 7.284 2.183 76 HD21 ASN 8 1HD2 ASN 8 1.067 6.920 -0.813 77 HD22 ASN 8 2HD2 ASN 8 2.399 8.001 -1.016 78 H LEU 9 H LEU 9 3.738 5.719 1.135 79 HA LEU 9 HA LEU 9 3.405 3.120 0.063 80 HG LEU 9 HG LEU 9 6.978 3.368 -0.212 81 HB2 LEU 9 2HB LEU 9 4.498 4.647 -1.323 82 HB3 LEU 9 1HB LEU 9 5.539 5.209 -0.029 83 HD11 LEU 9 1HD1 LEU 9 5.988 1.388 -0.393 84 HD12 LEU 9 2HD1 LEU 9 6.049 1.650 -2.136 85 HD13 LEU 9 3HD1 LEU 9 4.595 2.067 -1.230 86 HD21 LEU 9 3HD2 LEU 9 6.369 3.519 -3.099 87 HD22 LEU 9 1HD2 LEU 9 7.887 3.786 -2.241 88 HD23 LEU 9 2HD2 LEU 9 6.661 5.054 -2.279 89 H LYS 10 H LYS 10 5.707 4.486 2.389 90 HA LYS 10 HA LYS 10 7.168 2.166 2.898 91 HB2 LYS 10 2HB LYS 10 7.022 4.819 3.935 92 HB3 LYS 10 1HB LYS 10 7.020 3.702 5.294 93 HG2 LYS 10 2HG LYS 10 8.999 3.040 3.258 94 HG3 LYS 10 1HG LYS 10 9.237 4.629 3.987 95 HD2 LYS 10 2HD LYS 10 9.116 3.572 6.218 96 HD3 LYS 10 1HD LYS 10 8.996 1.996 5.440 97 HE2 LYS 10 2HE LYS 10 11.175 2.416 4.348 98 HE3 LYS 10 1HE LYS 10 11.299 3.931 5.236 99 HZ1 LYS 10 3HZ LYS 10 11.658 1.199 6.158 100 HZ2 LYS 10 1HZ LYS 10 10.853 2.238 7.228 101 HZ3 LYS 10 2HZ LYS 10 12.403 2.628 6.679 102 H GLN 11 H GLN 11 4.135 3.329 4.223 103 HA GLN 11 HA GLN 11 4.030 1.177 6.170 104 HB2 GLN 11 2HB GLN 11 3.197 3.392 6.807 105 HB3 GLN 11 1HB GLN 11 2.020 3.334 5.502 106 HG2 GLN 11 2HG GLN 11 0.589 2.118 6.697 107 HG3 GLN 11 1HG GLN 11 1.854 1.038 7.281 108 HE21 GLN 11 1HE2 GLN 11 0.380 4.198 7.773 109 HE22 GLN 11 2HE2 GLN 11 0.751 4.312 9.456 110 H ALA 12 H ALA 12 2.703 2.006 3.062 111 HA ALA 12 HA ALA 12 0.581 0.171 2.972 112 HB1 ALA 12 1HB ALA 12 2.186 1.640 0.947 113 HB2 ALA 12 2HB ALA 12 0.443 1.636 1.224 114 HB3 ALA 12 3HB ALA 12 1.208 0.279 0.399 115 H LYS 13 H LYS 13 4.011 -0.131 2.297 116 HA LYS 13 HA LYS 13 3.705 -2.883 1.459 117 HB2 LYS 13 2HB LYS 13 5.820 -2.776 0.630 118 HB3 LYS 13 1HB LYS 13 5.445 -1.062 0.641 119 HG2 LYS 13 2HG LYS 13 6.668 -1.941 3.133 120 HG3 LYS 13 1HG LYS 13 7.673 -2.246 1.717 121 HD2 LYS 13 2HD LYS 13 7.101 0.156 1.037 122 HD3 LYS 13 1HD LYS 13 6.570 0.356 2.707 123 HE2 LYS 13 2HE LYS 13 9.321 -0.492 1.803 124 HE3 LYS 13 1HE LYS 13 8.880 1.093 2.434 125 HZ1 LYS 13 3HZ LYS 13 8.424 -1.349 4.027 126 HZ2 LYS 13 1HZ LYS 13 8.576 0.250 4.557 127 HZ3 LYS 13 2HZ LYS 13 9.938 -0.595 4.015 128 H GLU 14 H GLU 14 4.830 -1.111 4.300 129 HA GLU 14 HA GLU 14 5.957 -3.272 5.685 130 HB2 GLU 14 2HB GLU 14 6.116 -1.868 7.482 131 HB3 GLU 14 1HB GLU 14 5.829 -0.674 6.231 132 HG2 GLU 14 2HG GLU 14 4.436 -0.021 7.959 133 HG3 GLU 14 1HG GLU 14 3.357 -0.877 6.866 134 H GLU 15 H GLU 15 2.641 -2.029 5.640 135 HA GLU 15 HA GLU 15 1.568 -3.993 7.384 136 HB2 GLU 15 2HB GLU 15 0.433 -1.839 6.846 137 HB3 GLU 15 1HB GLU 15 0.174 -2.419 5.205 138 HG2 GLU 15 2HG GLU 15 -1.099 -4.345 6.210 139 HG3 GLU 15 1HG GLU 15 -1.016 -3.486 7.748 140 H ALA 16 H ALA 16 2.209 -3.752 3.973 141 HA ALA 16 HA ALA 16 0.733 -5.976 3.097 142 HB1 ALA 16 1HB ALA 16 1.951 -5.803 1.070 143 HB2 ALA 16 2HB ALA 16 3.273 -4.943 1.857 144 HB3 ALA 16 3HB ALA 16 1.706 -4.162 1.657 145 H ILE 17 H ILE 17 3.992 -5.618 4.415 146 HA ILE 17 HA ILE 17 4.926 -8.216 3.842 147 HB ILE 17 HB ILE 17 5.666 -6.734 6.357 148 HG12 ILE 17 2HG1 ILE 17 5.910 -5.008 4.777 149 HG13 ILE 17 1HG1 ILE 17 7.516 -5.712 4.898 150 HG21 ILE 17 1HG2 ILE 17 6.470 -9.133 5.475 151 HG22 ILE 17 2HG2 ILE 17 7.491 -8.057 6.431 152 HG23 ILE 17 3HG2 ILE 17 7.662 -8.109 4.676 153 HD11 ILE 17 3HD1 ILE 17 7.228 -6.877 2.830 154 HD12 ILE 17 1HD1 ILE 17 6.817 -5.180 2.586 155 HD13 ILE 17 2HD1 ILE 17 5.538 -6.383 2.734 156 H LYS 18 H LYS 18 3.367 -6.847 6.712 157 HA LYS 18 HA LYS 18 3.177 -9.201 8.202 158 HB2 LYS 18 2HB LYS 18 2.283 -7.816 9.707 159 HB3 LYS 18 1HB LYS 18 2.416 -6.536 8.516 160 HG2 LYS 18 2HG LYS 18 0.175 -6.702 7.912 161 HG3 LYS 18 1HG LYS 18 0.009 -8.311 8.622 162 HD2 LYS 18 2HD LYS 18 0.404 -7.262 10.862 163 HD3 LYS 18 1HD LYS 18 0.316 -5.687 10.071 164 HE2 LYS 18 2HE LYS 18 -1.949 -6.900 9.155 165 HE3 LYS 18 1HE LYS 18 -1.818 -7.569 10.782 166 HZ1 LYS 18 3HZ LYS 18 -2.202 -5.572 11.733 167 HZ2 LYS 18 1HZ LYS 18 -2.999 -5.265 10.272 168 HZ3 LYS 18 2HZ LYS 18 -1.426 -4.695 10.513 169 H GLU 19 H GLU 19 1.258 -7.964 5.569 170 HA GLU 19 HA GLU 19 -1.007 -9.611 5.834 171 HB2 GLU 19 2HB GLU 19 0.053 -7.744 3.929 172 HB3 GLU 19 1HB GLU 19 -0.501 -9.175 3.073 173 HG2 GLU 19 2HG GLU 19 -2.265 -7.547 3.174 174 HG3 GLU 19 1HG GLU 19 -2.695 -8.947 4.158 175 H LEU 20 H LEU 20 1.910 -10.041 3.823 176 HA LEU 20 HA LEU 20 1.108 -12.705 3.093 177 HG LEU 20 HG LEU 20 2.097 -13.634 1.364 178 HB2 LEU 20 2HB LEU 20 2.712 -10.873 1.910 179 HB3 LEU 20 1HB LEU 20 3.916 -11.889 2.678 180 HD11 LEU 20 1HD1 LEU 20 1.364 -11.719 0.054 181 HD12 LEU 20 2HD1 LEU 20 2.257 -12.875 -0.936 182 HD13 LEU 20 3HD1 LEU 20 3.035 -11.384 -0.404 183 HD21 LEU 20 3HD2 LEU 20 4.013 -14.593 0.762 184 HD22 LEU 20 1HD2 LEU 20 4.814 -13.347 1.716 185 HD23 LEU 20 2HD2 LEU 20 4.603 -13.130 -0.022 186 H VAL 21 H VAL 21 3.154 -11.233 5.504 187 HA VAL 21 HA VAL 21 4.649 -13.523 6.220 188 HB VAL 21 HB VAL 21 3.908 -11.078 7.834 189 HG11 VAL 21 1HG1 VAL 21 6.080 -12.007 9.099 190 HG12 VAL 21 2HG1 VAL 21 5.360 -13.538 8.601 191 HG13 VAL 21 3HG1 VAL 21 4.435 -12.409 9.591 192 HG21 VAL 21 3HG2 VAL 21 6.683 -11.646 6.981 193 HG22 VAL 21 1HG2 VAL 21 5.817 -10.113 7.090 194 HG23 VAL 21 2HG2 VAL 21 5.541 -11.184 5.717 195 H ASP 22 H ASP 22 1.461 -12.379 7.072 196 HA ASP 22 HA ASP 22 1.162 -14.460 9.078 197 HB2 ASP 22 2HB ASP 22 -0.130 -11.940 8.531 198 HB3 ASP 22 1HB ASP 22 -1.333 -13.221 8.627 199 H ALA 23 H ALA 23 0.024 -13.607 5.860 200 HA ALA 23 HA ALA 23 -1.780 -15.834 5.661 201 HB1 ALA 23 1HB ALA 23 -0.683 -13.936 3.592 202 HB2 ALA 23 2HB ALA 23 -2.267 -13.885 4.365 203 HB3 ALA 23 3HB ALA 23 -1.873 -15.191 3.248 204 H GLY 24 H GLY 24 1.591 -15.462 5.387 205 HA2 GLY 24 2HA GLY 24 3.281 -16.803 4.598 206 HA3 GLY 24 1HA GLY 24 2.208 -18.111 5.083 207 H ILE 25 H ILE 25 3.542 -16.339 2.418 208 HA ILE 25 HA ILE 25 2.748 -18.414 0.606 209 HB ILE 25 HB ILE 25 1.917 -15.935 -0.667 210 HG12 ILE 25 2HG1 ILE 25 0.240 -16.888 1.675 211 HG13 ILE 25 1HG1 ILE 25 1.107 -15.357 1.600 212 HG21 ILE 25 1HG2 ILE 25 0.876 -18.713 -0.319 213 HG22 ILE 25 2HG2 ILE 25 1.374 -17.876 -1.788 214 HG23 ILE 25 3HG2 ILE 25 -0.155 -17.463 -1.013 215 HD11 ILE 25 3HD1 ILE 25 -0.298 -14.611 -0.205 216 HD12 ILE 25 1HD1 ILE 25 -1.291 -15.130 1.155 217 HD13 ILE 25 2HD1 ILE 25 -1.112 -16.175 -0.255 218 H ALA 26 H ALA 26 3.189 -17.152 -1.817 219 HA ALA 26 HA ALA 26 5.898 -17.271 -2.147 220 HB1 ALA 26 1HB ALA 26 3.732 -15.954 -3.707 221 HB2 ALA 26 2HB ALA 26 4.778 -17.306 -4.143 222 HB3 ALA 26 3HB ALA 26 5.412 -15.658 -4.167 223 H GLU 27 H GLU 27 7.132 -16.205 -0.633 224 HA GLU 27 HA GLU 27 6.847 -13.619 0.296 225 HB2 GLU 27 2HB GLU 27 9.428 -15.104 -0.239 226 HB3 GLU 27 1HB GLU 27 9.273 -13.678 0.779 227 HG2 GLU 27 2HG GLU 27 7.455 -15.838 1.510 228 HG3 GLU 27 1HG GLU 27 9.160 -16.270 1.632 229 H LYS 28 H LYS 28 7.975 -14.734 -2.776 230 HA LYS 28 HA LYS 28 9.483 -12.670 -3.774 231 HB2 LYS 28 2HB LYS 28 9.210 -14.476 -5.223 232 HB3 LYS 28 1HB LYS 28 7.468 -14.521 -5.009 233 HG2 LYS 28 2HG LYS 28 7.284 -13.506 -6.956 234 HG3 LYS 28 1HG LYS 28 7.974 -12.061 -6.216 235 HD2 LYS 28 2HD LYS 28 10.252 -13.147 -6.723 236 HD3 LYS 28 1HD LYS 28 9.346 -14.196 -7.815 237 HE2 LYS 28 2HE LYS 28 9.907 -12.521 -9.264 238 HE3 LYS 28 1HE LYS 28 8.374 -11.892 -8.660 239 HZ1 LYS 28 3HZ LYS 28 9.490 -10.416 -7.223 240 HZ2 LYS 28 1HZ LYS 28 10.274 -10.279 -8.716 241 HZ3 LYS 28 2HZ LYS 28 10.987 -11.167 -7.465 242 H TYR 29 H TYR 29 5.951 -12.862 -3.553 243 HA TYR 29 HA TYR 29 5.399 -10.422 -4.804 244 HD1 TYR 29 2HD TYR 29 3.792 -13.609 -5.182 245 HD2 TYR 29 1HD TYR 29 2.361 -9.606 -5.008 246 HE1 TYR 29 2HE TYR 29 2.602 -13.950 -7.305 247 HE2 TYR 29 1HE TYR 29 1.166 -9.936 -7.132 248 HH TYR 29 HH TYR 29 1.763 -12.070 -9.267 249 HB2 TYR 29 2HB TYR 29 3.924 -12.325 -3.123 250 HB3 TYR 29 1HB TYR 29 3.333 -10.664 -3.052 251 H ILE 30 H ILE 30 6.388 -11.225 -1.554 252 HA ILE 30 HA ILE 30 5.773 -8.776 -0.300 253 HB ILE 30 HB ILE 30 8.119 -10.575 0.340 254 HG12 ILE 30 2HG1 ILE 30 5.280 -10.659 1.387 255 HG13 ILE 30 1HG1 ILE 30 6.031 -11.857 0.336 256 HG21 ILE 30 1HG2 ILE 30 6.611 -8.620 2.069 257 HG22 ILE 30 2HG2 ILE 30 8.202 -8.347 1.362 258 HG23 ILE 30 3HG2 ILE 30 7.978 -9.616 2.565 259 HD11 ILE 30 3HD1 ILE 30 5.854 -12.188 2.949 260 HD12 ILE 30 1HD1 ILE 30 7.358 -11.269 2.919 261 HD13 ILE 30 2HD1 ILE 30 7.231 -12.784 2.025 262 H LYS 31 H LYS 31 8.266 -9.765 -2.502 263 HA LYS 31 HA LYS 31 10.028 -7.576 -1.962 264 HB2 LYS 31 2HB LYS 31 10.905 -9.628 -2.939 265 HB3 LYS 31 1HB LYS 31 9.875 -9.428 -4.350 266 HG2 LYS 31 2HG LYS 31 11.183 -7.080 -4.412 267 HG3 LYS 31 1HG LYS 31 12.409 -8.099 -3.650 268 HD2 LYS 31 2HD LYS 31 11.347 -9.606 -5.772 269 HD3 LYS 31 1HD LYS 31 11.598 -7.978 -6.403 270 HE2 LYS 31 2HE LYS 31 13.665 -8.879 -6.788 271 HE3 LYS 31 1HE LYS 31 13.912 -8.219 -5.173 272 HZ1 LYS 31 3HZ LYS 31 12.912 -10.951 -5.336 273 HZ2 LYS 31 1HZ LYS 31 14.015 -10.265 -4.252 274 HZ3 LYS 31 2HZ LYS 31 14.518 -10.706 -5.804 275 H LEU 32 H LEU 32 7.372 -8.178 -4.218 276 HA LEU 32 HA LEU 32 7.811 -5.938 -5.874 277 HG LEU 32 HG LEU 32 5.759 -8.786 -5.013 278 HB2 LEU 32 2HB LEU 32 4.977 -6.537 -5.409 279 HB3 LEU 32 1HB LEU 32 5.885 -6.465 -6.914 280 HD11 LEU 32 1HD1 LEU 32 3.736 -8.336 -6.413 281 HD12 LEU 32 2HD1 LEU 32 4.492 -9.909 -6.672 282 HD13 LEU 32 3HD1 LEU 32 4.746 -8.605 -7.834 283 HD21 LEU 32 3HD2 LEU 32 7.843 -9.116 -5.871 284 HD22 LEU 32 1HD2 LEU 32 7.504 -8.190 -7.333 285 HD23 LEU 32 2HD2 LEU 32 6.892 -9.836 -7.169 286 H ILE 33 H ILE 33 6.274 -6.319 -2.778 287 HA ILE 33 HA ILE 33 5.380 -3.542 -2.733 288 HB ILE 33 HB ILE 33 4.737 -4.255 -0.300 289 HG12 ILE 33 2HG1 ILE 33 4.908 -6.932 -1.693 290 HG13 ILE 33 1HG1 ILE 33 5.954 -6.392 -0.384 291 HG21 ILE 33 1HG2 ILE 33 2.680 -4.188 -1.115 292 HG22 ILE 33 2HG2 ILE 33 2.912 -5.678 -2.031 293 HG23 ILE 33 3HG2 ILE 33 3.401 -4.131 -2.723 294 HD11 ILE 33 3HD1 ILE 33 2.989 -6.595 -0.113 295 HD12 ILE 33 1HD1 ILE 33 4.200 -6.421 1.157 296 HD13 ILE 33 2HD1 ILE 33 4.085 -7.928 0.250 297 H ALA 34 H ALA 34 7.561 -5.692 -0.949 298 HA ALA 34 HA ALA 34 8.519 -3.836 0.889 299 HB1 ALA 34 1HB ALA 34 10.384 -5.342 1.228 300 HB2 ALA 34 2HB ALA 34 10.033 -6.162 -0.294 301 HB3 ALA 34 3HB ALA 34 8.893 -6.266 1.047 302 H ASN 35 H ASN 35 9.321 -4.372 -2.463 303 HA ASN 35 HA ASN 35 11.684 -2.708 -2.353 304 HB2 ASN 35 2HB ASN 35 11.766 -4.578 -3.850 305 HB3 ASN 35 1HB ASN 35 10.262 -4.092 -4.634 306 HD21 ASN 35 1HD2 ASN 35 11.152 -3.964 -6.663 307 HD22 ASN 35 2HD2 ASN 35 12.277 -2.736 -7.123 308 H ALA 36 H ALA 36 8.403 -2.117 -2.476 309 HA ALA 36 HA ALA 36 7.105 -0.329 -3.043 310 HB1 ALA 36 1HB ALA 36 9.653 1.253 -2.736 311 HB2 ALA 36 2HB ALA 36 8.727 0.619 -1.376 312 HB3 ALA 36 3HB ALA 36 7.998 1.801 -2.464 313 H LYS 37 H LYS 37 8.530 2.124 -4.350 314 HA LYS 37 HA LYS 37 9.271 2.799 -6.439 315 HB2 LYS 37 2HB LYS 37 9.852 0.224 -6.767 316 HB3 LYS 37 1HB LYS 37 8.424 0.287 -7.802 317 HG2 LYS 37 2HG LYS 37 9.996 2.520 -8.476 318 HG3 LYS 37 1HG LYS 37 11.099 1.151 -8.341 319 HD2 LYS 37 2HD LYS 37 10.464 0.560 -10.394 320 HD3 LYS 37 1HD LYS 37 8.890 0.148 -9.712 321 HE2 LYS 37 2HE LYS 37 8.311 1.604 -11.406 322 HE3 LYS 37 1HE LYS 37 8.394 2.681 -10.013 323 HZ1 LYS 37 3HZ LYS 37 9.543 3.742 -11.748 324 HZ2 LYS 37 1HZ LYS 37 10.397 2.346 -12.168 325 HZ3 LYS 37 2HZ LYS 37 10.745 3.148 -10.720 326 H THR 38 H THR 38 6.288 1.209 -5.735 327 HA THR 38 HA THR 38 4.880 3.208 -7.317 328 HB THR 38 HB THR 38 3.288 1.244 -8.013 329 HG1 THR 38 1HG THR 38 5.757 -0.125 -7.802 330 HG21 THR 38 3HG2 THR 38 4.887 2.679 -9.478 331 HG22 THR 38 1HG2 THR 38 4.198 1.186 -10.115 332 HG23 THR 38 2HG2 THR 38 5.857 1.206 -9.515 333 H VAL 39 H VAL 39 4.472 4.022 -5.175 334 HA VAL 39 HA VAL 39 3.399 2.816 -2.993 335 HB VAL 39 HB VAL 39 3.869 5.229 -3.124 336 HG11 VAL 39 1HG1 VAL 39 2.646 5.466 -5.355 337 HG12 VAL 39 2HG1 VAL 39 2.477 6.775 -4.186 338 HG13 VAL 39 3HG1 VAL 39 1.177 5.603 -4.391 339 HG21 VAL 39 3HG2 VAL 39 1.848 3.947 -1.672 340 HG22 VAL 39 1HG2 VAL 39 1.159 5.486 -2.191 341 HG23 VAL 39 2HG2 VAL 39 2.664 5.458 -1.271 342 H GLU 40 H GLU 40 1.509 3.891 -5.817 343 HA GLU 40 HA GLU 40 -0.996 3.085 -4.825 344 HB2 GLU 40 2HB GLU 40 -0.529 2.883 -7.762 345 HB3 GLU 40 1HB GLU 40 -1.866 3.598 -6.882 346 HG2 GLU 40 2HG GLU 40 -0.227 5.433 -6.219 347 HG3 GLU 40 1HG GLU 40 0.823 4.774 -7.473 348 H GLY 41 H GLY 41 1.458 1.369 -6.704 349 HA2 GLY 41 2HA GLY 41 -0.095 -1.019 -6.961 350 HA3 GLY 41 1HA GLY 41 1.628 -0.866 -7.252 351 H VAL 42 H VAL 42 2.459 0.022 -4.708 352 HA VAL 42 HA VAL 42 2.984 -2.285 -3.343 353 HB VAL 42 HB VAL 42 2.541 0.386 -2.007 354 HG11 VAL 42 1HG1 VAL 42 3.180 -2.062 -0.912 355 HG12 VAL 42 2HG1 VAL 42 3.481 -0.487 -0.177 356 HG13 VAL 42 3HG1 VAL 42 4.749 -1.282 -1.116 357 HG21 VAL 42 3HG2 VAL 42 5.279 -0.150 -2.628 358 HG22 VAL 42 1HG2 VAL 42 4.279 1.212 -3.122 359 HG23 VAL 42 2HG2 VAL 42 4.321 -0.251 -4.103 360 H TRP 43 H TRP 43 0.218 -0.098 -2.840 361 HA TRP 43 HA TRP 43 -0.871 -1.786 -0.780 362 HD1 TRP 43 HD TRP 43 -1.281 2.405 -2.831 363 HE1 TRP 43 1HE TRP 43 -2.964 2.926 -4.707 364 HE3 TRP 43 3HE TRP 43 -4.470 -1.540 -2.185 365 HZ2 TRP 43 2HZ TRP 43 -5.328 1.815 -5.771 366 HZ3 TRP 43 3HZ TRP 43 -6.420 -1.736 -3.673 367 HH2 TRP 43 HH TRP 43 -6.839 -0.092 -5.427 368 HB2 TRP 43 2HB TRP 43 -2.635 -0.217 -0.585 369 HB3 TRP 43 1HB TRP 43 -1.179 0.723 -0.886 370 H THR 44 H THR 44 -1.250 -1.454 -4.251 371 HA THR 44 HA THR 44 -3.691 -3.007 -4.296 372 HB THR 44 HB THR 44 -1.927 -2.536 -6.691 373 HG1 THR 44 1HG THR 44 -2.802 -0.523 -6.910 374 HG21 THR 44 3HG2 THR 44 -4.610 -3.479 -6.282 375 HG22 THR 44 1HG2 THR 44 -3.637 -3.444 -7.752 376 HG23 THR 44 2HG2 THR 44 -4.591 -2.034 -7.292 377 H LEU 45 H LEU 45 -0.273 -3.605 -4.782 378 HA LEU 45 HA LEU 45 -0.534 -6.260 -5.737 379 HB2 LEU 45 2HB LEU 45 1.612 -4.455 -4.969 380 HB3 LEU 45 1HB LEU 45 1.929 -6.098 -4.447 381 HD11 LEU 45 1HD1 LEU 45 -0.009 -5.807 -7.582 382 HD12 LEU 45 2HD1 LEU 45 1.378 -5.427 -8.602 383 HD13 LEU 45 3HD1 LEU 45 0.779 -4.236 -7.450 384 HD21 LEU 45 3HD2 LEU 45 3.724 -5.057 -5.831 385 HD22 LEU 45 1HD2 LEU 45 3.277 -4.488 -7.440 386 HD23 LEU 45 2HD2 LEU 45 3.890 -6.127 -7.223 387 H LYS 46 H LYS 46 -0.394 -4.779 -2.586 388 HA LYS 46 HA LYS 46 0.026 -7.163 -1.091 389 HB2 LYS 46 2HB LYS 46 0.553 -5.135 0.008 390 HB3 LYS 46 1HB LYS 46 -0.981 -4.400 -0.424 391 HG2 LYS 46 2HG LYS 46 -2.089 -6.073 1.091 392 HG3 LYS 46 1HG LYS 46 -0.475 -6.520 1.645 393 HD2 LYS 46 2HD LYS 46 -1.304 -4.932 3.199 394 HD3 LYS 46 1HD LYS 46 -0.129 -4.078 2.199 395 HE2 LYS 46 2HE LYS 46 -2.420 -3.670 0.796 396 HE3 LYS 46 1HE LYS 46 -3.030 -3.701 2.451 397 HZ1 LYS 46 3HZ LYS 46 -1.117 -2.077 2.910 398 HZ2 LYS 46 1HZ LYS 46 -2.491 -1.492 2.112 399 HZ3 LYS 46 2HZ LYS 46 -1.089 -1.845 1.234 400 H ASP 47 H ASP 47 -2.896 -5.135 -1.438 401 HA ASP 47 HA ASP 47 -4.682 -6.952 -0.296 402 HB2 ASP 47 2HB ASP 47 -4.854 -4.483 -1.830 403 HB3 ASP 47 1HB ASP 47 -6.173 -5.585 -2.215 404 H GLU 48 H GLU 48 -3.268 -6.807 -3.456 405 HA GLU 48 HA GLU 48 -5.114 -8.653 -4.663 406 HB2 GLU 48 2HB GLU 48 -3.952 -6.916 -5.981 407 HB3 GLU 48 1HB GLU 48 -2.414 -7.692 -5.627 408 HG2 GLU 48 2HG GLU 48 -3.528 -9.781 -6.700 409 HG3 GLU 48 1HG GLU 48 -4.626 -8.599 -7.409 410 H ILE 49 H ILE 49 -1.661 -8.810 -3.716 411 HA ILE 49 HA ILE 49 -1.338 -11.521 -4.297 412 HB ILE 49 HB ILE 49 0.606 -10.126 -3.884 413 HG12 ILE 49 2HG1 ILE 49 1.876 -11.717 -2.529 414 HG13 ILE 49 1HG1 ILE 49 0.385 -12.359 -1.858 415 HG21 ILE 49 1HG2 ILE 49 0.201 -10.206 -0.942 416 HG22 ILE 49 2HG2 ILE 49 -0.592 -8.950 -1.888 417 HG23 ILE 49 3HG2 ILE 49 1.165 -9.101 -1.925 418 HD11 ILE 49 3HD1 ILE 49 1.537 -13.657 -3.738 419 HD12 ILE 49 1HD1 ILE 49 0.888 -12.410 -4.803 420 HD13 ILE 49 2HD1 ILE 49 -0.207 -13.403 -3.842 421 H LEU 50 H LEU 50 -2.928 -9.986 -1.640 422 HA LEU 50 HA LEU 50 -2.867 -12.346 0.028 423 HG LEU 50 HG LEU 50 -4.139 -12.193 2.076 424 HB2 LEU 50 2HB LEU 50 -3.154 -9.772 0.661 425 HB3 LEU 50 1HB LEU 50 -4.855 -10.177 0.478 426 HD11 LEU 50 1HD1 LEU 50 -2.640 -10.900 3.826 427 HD12 LEU 50 2HD1 LEU 50 -2.041 -10.120 2.362 428 HD13 LEU 50 3HD1 LEU 50 -1.933 -11.872 2.534 429 HD21 LEU 50 3HD2 LEU 50 -5.414 -11.155 3.624 430 HD22 LEU 50 1HD2 LEU 50 -5.713 -10.026 2.301 431 HD23 LEU 50 2HD2 LEU 50 -4.500 -9.649 3.525 432 H THR 51 H THR 51 -4.997 -10.790 -2.263 433 HA THR 51 HA THR 51 -7.306 -12.340 -1.776 434 HB THR 51 HB THR 51 -6.349 -10.723 -4.125 435 HG1 THR 51 1HG THR 51 -8.379 -10.417 -2.178 436 HG21 THR 51 3HG2 THR 51 -8.582 -10.907 -5.108 437 HG22 THR 51 1HG2 THR 51 -8.991 -12.150 -3.925 438 HG23 THR 51 2HG2 THR 51 -7.722 -12.447 -5.114 439 H PHE 52 H PHE 52 -4.325 -13.186 -3.257 440 HA PHE 52 HA PHE 52 -5.514 -15.277 -4.874 441 HD1 PHE 52 1HD PHE 52 -2.255 -14.705 -2.674 442 HD2 PHE 52 2HD PHE 52 -1.776 -16.352 -6.566 443 HE1 PHE 52 1HE PHE 52 -0.139 -15.747 -1.966 444 HE2 PHE 52 2HE PHE 52 0.328 -17.414 -5.863 445 HZ PHE 52 HZ PHE 52 1.149 -17.110 -3.562 446 HB2 PHE 52 2HB PHE 52 -3.648 -15.147 -6.113 447 HB3 PHE 52 1HB PHE 52 -3.252 -13.726 -5.166 448 H THR 53 H THR 53 -6.002 -15.490 -2.143 449 HA THR 53 HA THR 53 -5.472 -18.189 -1.684 450 HB THR 53 HB THR 53 -3.572 -16.283 -0.325 451 HG1 THR 53 1HG THR 53 -3.193 -18.879 -1.392 452 HG21 THR 53 3HG2 THR 53 -4.570 -17.481 1.522 453 HG22 THR 53 1HG2 THR 53 -2.930 -18.058 1.230 454 HG23 THR 53 2HG2 THR 53 -4.311 -19.016 0.695 455 H VAL 54 H VAL 54 -5.436 -15.399 0.532 456 HA VAL 54 HA VAL 54 -6.941 -14.640 2.040 457 HB VAL 54 HB VAL 54 -8.535 -15.476 -0.055 458 HG11 VAL 54 1HG1 VAL 54 -10.412 -16.623 0.778 459 HG12 VAL 54 2HG1 VAL 54 -9.859 -16.479 2.447 460 HG13 VAL 54 3HG1 VAL 54 -9.018 -17.544 1.326 461 HG21 VAL 54 3HG2 VAL 54 -10.262 -14.072 1.032 462 HG22 VAL 54 1HG2 VAL 54 -8.675 -13.319 0.994 463 HG23 VAL 54 2HG2 VAL 54 -9.267 -14.037 2.487 464 H THR 55 H THR 55 -7.821 -15.204 4.070 465 HA THR 55 HA THR 55 -7.642 -18.043 4.800 466 HB THR 55 HB THR 55 -6.579 -15.867 6.596 467 HG1 THR 55 1HG THR 55 -5.228 -17.342 4.607 468 HG21 THR 55 3HG2 THR 55 -5.719 -18.726 6.543 469 HG22 THR 55 1HG2 THR 55 -7.145 -18.222 7.445 470 HG23 THR 55 2HG2 THR 55 -5.568 -17.536 7.836 471 H GLU 56 H GLU 56 -10.037 -17.152 4.302 472 HA GLU 56 HA GLU 56 -11.215 -16.168 6.804 473 HB2 GLU 56 2HB GLU 56 -13.201 -15.686 5.492 474 HB3 GLU 56 1HB GLU 56 -11.797 -14.953 4.744 475 HG2 GLU 56 2HG GLU 56 -11.702 -16.848 3.162 476 HG3 GLU 56 1HG GLU 56 -13.179 -17.480 3.877 Start of MODEL 18 1 HA THR 1 HA THR 1 5.562 22.003 3.792 2 HB THR 1 HB THR 1 6.848 23.926 5.043 3 HG1 THR 1 1HG THR 1 7.179 23.373 7.235 4 H1 THR 1 1HT THR 1 7.112 20.672 5.884 5 H2 THR 1 2HT THR 1 6.751 19.892 4.396 6 H3 THR 1 3HT THR 1 5.480 20.428 5.420 7 HG21 THR 1 1HG2 THR 1 4.306 22.771 5.397 8 HG22 THR 1 2HG2 THR 1 4.824 24.406 5.773 9 HG23 THR 1 3HG2 THR 1 4.947 23.144 6.996 10 H THR 2 H THR 2 8.752 20.926 4.740 11 HA THR 2 HA THR 2 9.919 22.315 2.422 12 HB THR 2 HB THR 2 11.919 21.036 3.991 13 HG1 THR 2 1HG THR 2 10.190 22.676 5.530 14 HG21 THR 2 3HG2 THR 2 12.458 23.474 4.582 15 HG22 THR 2 1HG2 THR 2 11.164 23.873 3.453 16 HG23 THR 2 2HG2 THR 2 12.571 22.968 2.897 17 H TYR 3 H TYR 3 9.387 20.926 0.780 18 HA TYR 3 HA TYR 3 9.321 19.003 -0.472 19 HD1 TYR 3 2HD TYR 3 10.661 16.665 -1.511 20 HD2 TYR 3 1HD TYR 3 12.334 20.507 -2.261 21 HE1 TYR 3 2HE TYR 3 10.732 16.159 -3.917 22 HE2 TYR 3 1HE TYR 3 12.411 20.003 -4.666 23 HH TYR 3 HH TYR 3 12.520 17.584 -6.045 24 HB2 TYR 3 2HB TYR 3 11.910 19.886 -0.084 25 HB3 TYR 3 1HB TYR 3 12.023 18.176 0.275 26 H LYS 4 H LYS 4 8.380 18.628 2.231 27 HA LYS 4 HA LYS 4 8.661 15.736 2.355 28 HB2 LYS 4 2HB LYS 4 10.345 17.063 3.926 29 HB3 LYS 4 1HB LYS 4 8.924 17.181 4.959 30 HG2 LYS 4 2HG LYS 4 8.933 14.526 4.273 31 HG3 LYS 4 1HG LYS 4 10.654 14.898 4.405 32 HD2 LYS 4 2HD LYS 4 9.768 14.142 6.546 33 HD3 LYS 4 1HD LYS 4 10.282 15.818 6.640 34 HE2 LYS 4 2HE LYS 4 8.100 16.622 6.704 35 HE3 LYS 4 1HE LYS 4 7.437 15.142 6.005 36 HZ1 LYS 4 3HZ LYS 4 8.247 15.686 8.778 37 HZ2 LYS 4 1HZ LYS 4 8.341 14.097 8.193 38 HZ3 LYS 4 2HZ LYS 4 6.858 14.911 8.194 39 H LEU 5 H LEU 5 6.463 16.008 1.566 40 HA LEU 5 HA LEU 5 4.582 16.188 3.785 41 HG LEU 5 HG LEU 5 5.340 18.664 3.699 42 HB2 LEU 5 2HB LEU 5 4.473 17.884 1.306 43 HB3 LEU 5 1HB LEU 5 3.027 17.516 2.224 44 HD11 LEU 5 1HD1 LEU 5 3.869 20.021 1.519 45 HD12 LEU 5 2HD1 LEU 5 5.480 20.323 2.167 46 HD13 LEU 5 3HD1 LEU 5 4.061 20.924 3.027 47 HD21 LEU 5 3HD2 LEU 5 3.624 19.629 5.041 48 HD22 LEU 5 1HD2 LEU 5 3.198 17.945 4.770 49 HD23 LEU 5 2HD2 LEU 5 2.381 19.216 3.857 50 H ILE 6 H ILE 6 4.936 13.832 3.191 51 HA ILE 6 HA ILE 6 2.638 12.828 1.948 52 HB ILE 6 HB ILE 6 3.725 13.547 -0.138 53 HG12 ILE 6 2HG1 ILE 6 4.020 10.635 -0.404 54 HG13 ILE 6 1HG1 ILE 6 2.522 11.133 0.374 55 HG21 ILE 6 1HG2 ILE 6 5.760 12.210 -0.866 56 HG22 ILE 6 2HG2 ILE 6 5.949 11.780 0.835 57 HG23 ILE 6 3HG2 ILE 6 6.023 13.464 0.340 58 HD11 ILE 6 3HD1 ILE 6 2.470 12.798 -1.692 59 HD12 ILE 6 1HD1 ILE 6 1.840 11.155 -1.784 60 HD13 ILE 6 2HD1 ILE 6 3.448 11.519 -2.409 61 H LEU 7 H LEU 7 2.352 10.676 2.388 62 HA LEU 7 HA LEU 7 4.486 8.888 2.962 63 HG LEU 7 HG LEU 7 5.853 9.062 4.555 64 HB2 LEU 7 2HB LEU 7 3.571 10.544 5.102 65 HB3 LEU 7 1HB LEU 7 3.078 8.894 5.431 66 HD11 LEU 7 1HD1 LEU 7 6.508 9.953 6.888 67 HD12 LEU 7 2HD1 LEU 7 4.924 10.728 6.844 68 HD13 LEU 7 3HD1 LEU 7 6.123 11.095 5.609 69 HD21 LEU 7 3HD2 LEU 7 6.114 7.793 6.735 70 HD22 LEU 7 1HD2 LEU 7 5.087 7.050 5.512 71 HD23 LEU 7 2HD2 LEU 7 4.359 7.886 6.880 72 H ASN 8 H ASN 8 3.808 6.812 2.848 73 HA ASN 8 HA ASN 8 1.449 5.676 3.610 74 HB2 ASN 8 2HB ASN 8 1.067 7.324 1.241 75 HB3 ASN 8 1HB ASN 8 0.613 5.646 0.949 76 HD21 ASN 8 1HD2 ASN 8 -0.762 8.379 1.531 77 HD22 ASN 8 2HD2 ASN 8 -2.023 7.933 2.626 78 H LEU 9 H LEU 9 3.695 5.811 0.862 79 HA LEU 9 HA LEU 9 3.490 3.168 0.018 80 HG LEU 9 HG LEU 9 7.017 3.257 -0.188 81 HB2 LEU 9 2HB LEU 9 4.640 4.662 -1.379 82 HB3 LEU 9 1HB LEU 9 5.685 5.201 -0.081 83 HD11 LEU 9 1HD1 LEU 9 6.018 1.313 -0.527 84 HD12 LEU 9 2HD1 LEU 9 5.992 1.692 -2.249 85 HD13 LEU 9 3HD1 LEU 9 4.609 2.099 -1.233 86 HD21 LEU 9 3HD2 LEU 9 8.048 3.667 -2.157 87 HD22 LEU 9 1HD2 LEU 9 6.899 5.003 -2.225 88 HD23 LEU 9 2HD2 LEU 9 6.563 3.507 -3.093 89 H LYS 10 H LYS 10 5.730 4.593 2.374 90 HA LYS 10 HA LYS 10 7.178 2.304 2.995 91 HB2 LYS 10 2HB LYS 10 6.491 4.685 4.719 92 HB3 LYS 10 1HB LYS 10 7.665 3.455 5.166 93 HG2 LYS 10 2HG LYS 10 9.076 4.040 3.325 94 HG3 LYS 10 1HG LYS 10 7.854 5.137 2.676 95 HD2 LYS 10 2HD LYS 10 9.504 6.458 3.793 96 HD3 LYS 10 1HD LYS 10 8.045 6.466 4.786 97 HE2 LYS 10 2HE LYS 10 9.525 4.262 5.659 98 HE3 LYS 10 1HE LYS 10 10.702 5.553 5.430 99 HZ1 LYS 10 3HZ LYS 10 8.240 6.275 6.796 100 HZ2 LYS 10 1HZ LYS 10 9.835 6.757 7.108 101 HZ3 LYS 10 2HZ LYS 10 9.286 5.252 7.646 102 H GLN 11 H GLN 11 4.092 3.446 4.245 103 HA GLN 11 HA GLN 11 3.959 1.324 6.206 104 HB2 GLN 11 2HB GLN 11 2.869 3.822 6.104 105 HB3 GLN 11 1HB GLN 11 1.501 2.832 5.612 106 HG2 GLN 11 2HG GLN 11 1.255 1.911 7.653 107 HG3 GLN 11 1HG GLN 11 2.988 1.901 7.978 108 HE21 GLN 11 1HE2 GLN 11 1.030 2.660 9.831 109 HE22 GLN 11 2HE2 GLN 11 1.249 4.337 10.195 110 H ALA 12 H ALA 12 2.491 2.120 3.110 111 HA ALA 12 HA ALA 12 0.534 0.161 2.986 112 HB1 ALA 12 1HB ALA 12 2.218 1.184 0.702 113 HB2 ALA 12 2HB ALA 12 0.776 1.972 1.339 114 HB3 ALA 12 3HB ALA 12 0.649 0.390 0.570 115 H LYS 13 H LYS 13 3.987 -0.041 2.335 116 HA LYS 13 HA LYS 13 3.755 -2.811 1.524 117 HB2 LYS 13 2HB LYS 13 5.874 -2.667 0.716 118 HB3 LYS 13 1HB LYS 13 5.454 -0.963 0.690 119 HG2 LYS 13 2HG LYS 13 6.676 -1.763 3.209 120 HG3 LYS 13 1HG LYS 13 7.702 -2.066 1.809 121 HD2 LYS 13 2HD LYS 13 7.157 0.285 1.063 122 HD3 LYS 13 1HD LYS 13 6.464 0.531 2.667 123 HE2 LYS 13 2HE LYS 13 8.493 0.528 3.698 124 HE3 LYS 13 1HE LYS 13 9.192 -0.614 2.550 125 HZ1 LYS 13 3HZ LYS 13 9.831 1.033 1.160 126 HZ2 LYS 13 1HZ LYS 13 9.839 1.939 2.589 127 HZ3 LYS 13 2HZ LYS 13 8.521 2.036 1.534 128 H GLU 14 H GLU 14 4.770 -0.976 4.342 129 HA GLU 14 HA GLU 14 5.969 -3.068 5.786 130 HB2 GLU 14 2HB GLU 14 4.637 -0.495 6.552 131 HB3 GLU 14 1HB GLU 14 5.066 -1.648 7.807 132 HG2 GLU 14 2HG GLU 14 7.234 -1.130 5.930 133 HG3 GLU 14 1HG GLU 14 6.691 0.309 6.793 134 H GLU 15 H GLU 15 2.624 -1.863 5.790 135 HA GLU 15 HA GLU 15 1.607 -3.850 7.528 136 HB2 GLU 15 2HB GLU 15 0.456 -1.687 6.969 137 HB3 GLU 15 1HB GLU 15 0.113 -2.343 5.372 138 HG2 GLU 15 2HG GLU 15 -1.268 -4.057 6.294 139 HG3 GLU 15 1HG GLU 15 -0.799 -3.621 7.936 140 H ALA 16 H ALA 16 2.225 -3.638 4.109 141 HA ALA 16 HA ALA 16 0.739 -5.882 3.288 142 HB1 ALA 16 1HB ALA 16 1.586 -4.154 1.741 143 HB2 ALA 16 2HB ALA 16 2.024 -5.787 1.247 144 HB3 ALA 16 3HB ALA 16 3.224 -4.747 2.013 145 H ILE 17 H ILE 17 4.023 -5.470 4.517 146 HA ILE 17 HA ILE 17 4.995 -8.053 4.001 147 HB ILE 17 HB ILE 17 5.634 -6.236 6.341 148 HG12 ILE 17 2HG1 ILE 17 6.260 -5.106 4.352 149 HG13 ILE 17 1HG1 ILE 17 7.738 -5.829 4.968 150 HG21 ILE 17 1HG2 ILE 17 6.240 -8.533 6.845 151 HG22 ILE 17 2HG2 ILE 17 7.686 -7.561 6.576 152 HG23 ILE 17 3HG2 ILE 17 7.114 -8.656 5.318 153 HD11 ILE 17 3HD1 ILE 17 7.584 -6.075 2.565 154 HD12 ILE 17 1HD1 ILE 17 6.040 -6.911 2.732 155 HD13 ILE 17 2HD1 ILE 17 7.515 -7.649 3.355 156 H LYS 18 H LYS 18 3.235 -6.695 6.749 157 HA LYS 18 HA LYS 18 3.084 -9.070 8.260 158 HB2 LYS 18 2HB LYS 18 2.158 -7.699 9.762 159 HB3 LYS 18 1HB LYS 18 2.304 -6.408 8.585 160 HG2 LYS 18 2HG LYS 18 0.080 -6.555 7.955 161 HG3 LYS 18 1HG LYS 18 -0.093 -8.194 8.597 162 HD2 LYS 18 2HD LYS 18 0.438 -5.798 10.340 163 HD3 LYS 18 1HD LYS 18 -1.189 -6.355 9.942 164 HE2 LYS 18 2HE LYS 18 -0.625 -8.566 10.891 165 HE3 LYS 18 1HE LYS 18 0.954 -7.937 11.356 166 HZ1 LYS 18 3HZ LYS 18 -0.122 -7.523 13.272 167 HZ2 LYS 18 1HZ LYS 18 -1.652 -7.472 12.551 168 HZ3 LYS 18 2HZ LYS 18 -0.633 -6.125 12.470 169 H GLU 19 H GLU 19 1.232 -7.792 5.604 170 HA GLU 19 HA GLU 19 -1.022 -9.479 5.772 171 HB2 GLU 19 2HB GLU 19 0.039 -7.514 3.970 172 HB3 GLU 19 1HB GLU 19 -0.465 -8.918 3.043 173 HG2 GLU 19 2HG GLU 19 -2.286 -7.395 3.130 174 HG3 GLU 19 1HG GLU 19 -2.682 -8.776 4.155 175 H LEU 20 H LEU 20 1.944 -9.738 3.817 176 HA LEU 20 HA LEU 20 1.283 -12.321 2.819 177 HG LEU 20 HG LEU 20 2.729 -13.264 1.340 178 HB2 LEU 20 2HB LEU 20 3.018 -10.443 2.019 179 HB3 LEU 20 1HB LEU 20 4.123 -11.457 2.924 180 HD11 LEU 20 1HD1 LEU 20 2.990 -10.639 -0.020 181 HD12 LEU 20 2HD1 LEU 20 1.754 -11.886 -0.184 182 HD13 LEU 20 3HD1 LEU 20 3.330 -12.104 -0.945 183 HD21 LEU 20 3HD2 LEU 20 5.043 -12.753 -0.047 184 HD22 LEU 20 1HD2 LEU 20 4.885 -13.836 1.336 185 HD23 LEU 20 2HD2 LEU 20 5.418 -12.172 1.575 186 H VAL 21 H VAL 21 3.101 -11.134 5.581 187 HA VAL 21 HA VAL 21 4.346 -13.568 6.287 188 HB VAL 21 HB VAL 21 3.555 -11.213 8.009 189 HG11 VAL 21 1HG1 VAL 21 3.812 -12.742 9.672 190 HG12 VAL 21 2HG1 VAL 21 5.512 -12.341 9.425 191 HG13 VAL 21 3HG1 VAL 21 4.836 -13.796 8.695 192 HG21 VAL 21 3HG2 VAL 21 6.380 -11.833 7.443 193 HG22 VAL 21 1HG2 VAL 21 5.550 -10.278 7.522 194 HG23 VAL 21 2HG2 VAL 21 5.424 -11.273 6.070 195 H ASP 22 H ASP 22 1.159 -12.269 6.804 196 HA ASP 22 HA ASP 22 0.459 -14.386 8.649 197 HB2 ASP 22 2HB ASP 22 -0.740 -11.848 7.781 198 HB3 ASP 22 1HB ASP 22 -1.910 -13.146 8.004 199 H ALA 23 H ALA 23 -0.124 -13.456 5.297 200 HA ALA 23 HA ALA 23 -1.958 -15.616 4.805 201 HB1 ALA 23 1HB ALA 23 -0.589 -13.605 3.054 202 HB2 ALA 23 2HB ALA 23 -2.304 -13.760 3.432 203 HB3 ALA 23 3HB ALA 23 -1.526 -14.933 2.370 204 H GLY 24 H GLY 24 1.426 -15.344 4.992 205 HA2 GLY 24 2HA GLY 24 3.182 -16.671 4.293 206 HA3 GLY 24 1HA GLY 24 2.108 -17.941 4.863 207 H ILE 25 H ILE 25 3.354 -16.263 2.052 208 HA ILE 25 HA ILE 25 2.977 -18.586 0.439 209 HB ILE 25 HB ILE 25 1.748 -16.706 -1.249 210 HG12 ILE 25 2HG1 ILE 25 -0.328 -16.152 -0.054 211 HG13 ILE 25 1HG1 ILE 25 0.334 -16.834 1.424 212 HG21 ILE 25 1HG2 ILE 25 0.788 -19.165 0.179 213 HG22 ILE 25 2HG2 ILE 25 1.342 -19.006 -1.487 214 HG23 ILE 25 3HG2 ILE 25 -0.202 -18.307 -1.002 215 HD11 ILE 25 3HD1 ILE 25 0.395 -14.233 0.834 216 HD12 ILE 25 1HD1 ILE 25 1.936 -14.730 0.135 217 HD13 ILE 25 2HD1 ILE 25 1.605 -15.027 1.842 218 H ALA 26 H ALA 26 3.233 -17.529 -2.090 219 HA ALA 26 HA ALA 26 5.816 -17.284 -2.616 220 HB1 ALA 26 1HB ALA 26 5.136 -15.615 -4.499 221 HB2 ALA 26 2HB ALA 26 3.497 -15.935 -3.921 222 HB3 ALA 26 3HB ALA 26 4.500 -17.263 -4.503 223 H GLU 27 H GLU 27 7.136 -16.257 -1.179 224 HA GLU 27 HA GLU 27 6.782 -13.722 -0.092 225 HB2 GLU 27 2HB GLU 27 8.589 -15.633 0.319 226 HB3 GLU 27 1HB GLU 27 9.548 -14.617 -0.748 227 HG2 GLU 27 2HG GLU 27 8.280 -13.020 1.271 228 HG3 GLU 27 1HG GLU 27 9.184 -14.343 2.006 229 H LYS 28 H LYS 28 7.803 -14.696 -3.232 230 HA LYS 28 HA LYS 28 9.282 -12.628 -4.226 231 HB2 LYS 28 2HB LYS 28 8.904 -14.339 -5.743 232 HB3 LYS 28 1HB LYS 28 7.183 -14.406 -5.406 233 HG2 LYS 28 2HG LYS 28 6.856 -13.327 -7.297 234 HG3 LYS 28 1HG LYS 28 7.580 -11.900 -6.556 235 HD2 LYS 28 2HD LYS 28 8.910 -12.120 -8.410 236 HD3 LYS 28 1HD LYS 28 9.825 -13.082 -7.248 237 HE2 LYS 28 2HE LYS 28 8.110 -14.937 -8.256 238 HE3 LYS 28 1HE LYS 28 8.371 -13.907 -9.663 239 HZ1 LYS 28 3HZ LYS 28 10.509 -14.544 -9.840 240 HZ2 LYS 28 1HZ LYS 28 9.978 -15.912 -8.997 241 HZ3 LYS 28 2HZ LYS 28 10.751 -14.654 -8.171 242 H TYR 29 H TYR 29 5.743 -12.703 -3.884 243 HA TYR 29 HA TYR 29 5.317 -10.155 -4.999 244 HD1 TYR 29 1HD TYR 29 3.808 -13.076 -5.846 245 HD2 TYR 29 2HD TYR 29 2.083 -9.270 -5.044 246 HE1 TYR 29 1HE TYR 29 2.662 -13.144 -8.019 247 HE2 TYR 29 2HE TYR 29 0.930 -9.332 -7.216 248 HH TYR 29 HH TYR 29 1.277 -10.474 -9.452 249 HB2 TYR 29 2HB TYR 29 3.710 -12.122 -3.531 250 HB3 TYR 29 1HB TYR 29 3.196 -10.446 -3.309 251 H ILE 30 H ILE 30 6.223 -11.242 -1.824 252 HA ILE 30 HA ILE 30 5.655 -8.887 -0.386 253 HB ILE 30 HB ILE 30 6.683 -11.359 0.275 254 HG12 ILE 30 2HG1 ILE 30 6.621 -8.834 1.940 255 HG13 ILE 30 1HG1 ILE 30 5.283 -9.951 1.692 256 HG21 ILE 30 1HG2 ILE 30 8.846 -9.356 0.898 257 HG22 ILE 30 2HG2 ILE 30 8.953 -10.567 -0.379 258 HG23 ILE 30 3HG2 ILE 30 8.825 -11.071 1.306 259 HD11 ILE 30 3HD1 ILE 30 7.021 -11.675 2.690 260 HD12 ILE 30 1HD1 ILE 30 6.003 -10.666 3.717 261 HD13 ILE 30 2HD1 ILE 30 7.678 -10.206 3.412 262 H LYS 31 H LYS 31 8.144 -9.764 -2.627 263 HA LYS 31 HA LYS 31 9.965 -7.679 -1.897 264 HB2 LYS 31 2HB LYS 31 10.828 -9.668 -2.979 265 HB3 LYS 31 1HB LYS 31 9.800 -9.403 -4.379 266 HG2 LYS 31 2HG LYS 31 11.178 -7.055 -4.271 267 HG3 LYS 31 1HG LYS 31 12.377 -8.205 -3.677 268 HD2 LYS 31 2HD LYS 31 10.855 -9.053 -6.056 269 HD3 LYS 31 1HD LYS 31 11.949 -7.689 -6.292 270 HE2 LYS 31 2HE LYS 31 13.032 -9.983 -4.785 271 HE3 LYS 31 1HE LYS 31 12.706 -10.263 -6.494 272 HZ1 LYS 31 3HZ LYS 31 14.705 -8.562 -5.240 273 HZ2 LYS 31 1HZ LYS 31 13.970 -7.940 -6.631 274 HZ3 LYS 31 2HZ LYS 31 14.775 -9.426 -6.693 275 H LEU 32 H LEU 32 7.372 -8.056 -4.299 276 HA LEU 32 HA LEU 32 7.922 -5.717 -5.756 277 HG LEU 32 HG LEU 32 5.689 -8.485 -5.067 278 HB2 LEU 32 2HB LEU 32 5.058 -6.159 -5.451 279 HB3 LEU 32 1HB LEU 32 6.046 -6.134 -6.905 280 HD11 LEU 32 1HD1 LEU 32 4.647 -8.072 -7.858 281 HD12 LEU 32 2HD1 LEU 32 3.685 -7.876 -6.391 282 HD13 LEU 32 3HD1 LEU 32 4.354 -9.456 -6.805 283 HD21 LEU 32 3HD2 LEU 32 7.899 -8.157 -6.393 284 HD22 LEU 32 1HD2 LEU 32 6.916 -8.598 -7.787 285 HD23 LEU 32 2HD2 LEU 32 7.083 -9.720 -6.437 286 H ILE 33 H ILE 33 6.298 -6.249 -2.722 287 HA ILE 33 HA ILE 33 5.516 -3.451 -2.513 288 HB ILE 33 HB ILE 33 4.751 -4.205 -0.178 289 HG12 ILE 33 2HG1 ILE 33 5.095 -6.898 -1.509 290 HG13 ILE 33 1HG1 ILE 33 5.997 -6.307 -0.117 291 HG21 ILE 33 1HG2 ILE 33 2.952 -5.688 -1.786 292 HG22 ILE 33 2HG2 ILE 33 3.548 -4.331 -2.744 293 HG23 ILE 33 3HG2 ILE 33 2.792 -4.040 -1.177 294 HD11 ILE 33 3HD1 ILE 33 4.094 -6.362 1.252 295 HD12 ILE 33 1HD1 ILE 33 4.140 -7.894 0.382 296 HD13 ILE 33 2HD1 ILE 33 3.025 -6.625 -0.128 297 H ALA 34 H ALA 34 7.570 -5.785 -0.799 298 HA ALA 34 HA ALA 34 8.586 -4.084 1.141 299 HB1 ALA 34 1HB ALA 34 10.416 -5.657 1.373 300 HB2 ALA 34 2HB ALA 34 10.040 -6.364 -0.198 301 HB3 ALA 34 3HB ALA 34 8.899 -6.524 1.138 302 H ASN 35 H ASN 35 9.372 -4.390 -2.237 303 HA ASN 35 HA ASN 35 11.754 -2.747 -1.998 304 HB2 ASN 35 2HB ASN 35 11.886 -4.561 -3.564 305 HB3 ASN 35 1HB ASN 35 10.402 -4.048 -4.368 306 HD21 ASN 35 1HD2 ASN 35 13.627 -2.834 -3.527 307 HD22 ASN 35 2HD2 ASN 35 13.877 -1.974 -5.005 308 H ALA 36 H ALA 36 8.410 -2.303 -2.460 309 HA ALA 36 HA ALA 36 7.121 -0.474 -2.877 310 HB1 ALA 36 1HB ALA 36 7.974 1.659 -2.256 311 HB2 ALA 36 2HB ALA 36 9.639 1.144 -2.519 312 HB3 ALA 36 3HB ALA 36 8.712 0.475 -1.177 313 H LYS 37 H LYS 37 8.556 2.013 -4.132 314 HA LYS 37 HA LYS 37 9.273 2.750 -6.194 315 HB2 LYS 37 2HB LYS 37 8.632 0.047 -7.373 316 HB3 LYS 37 1HB LYS 37 9.616 1.329 -8.076 317 HG2 LYS 37 2HG LYS 37 10.979 0.888 -5.797 318 HG3 LYS 37 1HG LYS 37 10.318 -0.722 -6.084 319 HD2 LYS 37 2HD LYS 37 11.424 -0.955 -8.113 320 HD3 LYS 37 1HD LYS 37 11.642 0.786 -8.305 321 HE2 LYS 37 2HE LYS 37 13.477 0.845 -6.950 322 HE3 LYS 37 1HE LYS 37 12.933 -0.516 -5.972 323 HZ1 LYS 37 3HZ LYS 37 13.640 -2.039 -7.598 324 HZ2 LYS 37 1HZ LYS 37 14.907 -0.928 -7.453 325 HZ3 LYS 37 2HZ LYS 37 13.851 -0.837 -8.769 326 H THR 38 H THR 38 6.338 1.074 -5.546 327 HA THR 38 HA THR 38 4.910 2.992 -7.215 328 HB THR 38 HB THR 38 3.363 0.865 -7.725 329 HG1 THR 38 1HG THR 38 4.968 -0.485 -6.616 330 HG21 THR 38 3HG2 THR 38 4.264 2.312 -9.455 331 HG22 THR 38 1HG2 THR 38 4.436 0.612 -9.892 332 HG23 THR 38 2HG2 THR 38 5.833 1.519 -9.312 333 H VAL 39 H VAL 39 4.511 3.886 -5.091 334 HA VAL 39 HA VAL 39 3.430 2.781 -2.869 335 HB VAL 39 HB VAL 39 3.865 5.190 -3.116 336 HG11 VAL 39 1HG1 VAL 39 2.660 5.302 -5.367 337 HG12 VAL 39 2HG1 VAL 39 2.464 6.662 -4.264 338 HG13 VAL 39 3HG1 VAL 39 1.179 5.468 -4.424 339 HG21 VAL 39 3HG2 VAL 39 1.048 5.206 -2.257 340 HG22 VAL 39 1HG2 VAL 39 2.502 5.708 -1.395 341 HG23 VAL 39 2HG2 VAL 39 2.076 3.999 -1.484 342 H GLU 40 H GLU 40 1.540 3.692 -5.754 343 HA GLU 40 HA GLU 40 -0.956 2.869 -4.731 344 HB2 GLU 40 2HB GLU 40 0.099 3.761 -7.294 345 HB3 GLU 40 1HB GLU 40 -1.106 2.495 -7.494 346 HG2 GLU 40 2HG GLU 40 -2.746 3.769 -6.328 347 HG3 GLU 40 1HG GLU 40 -1.549 4.971 -5.848 348 H GLY 41 H GLY 41 1.501 1.181 -6.657 349 HA2 GLY 41 2HA GLY 41 0.041 -1.240 -6.914 350 HA3 GLY 41 1HA GLY 41 1.779 -1.059 -7.108 351 H VAL 42 H VAL 42 2.557 -0.205 -4.612 352 HA VAL 42 HA VAL 42 2.951 -2.476 -3.143 353 HB VAL 42 HB VAL 42 2.540 0.228 -1.866 354 HG11 VAL 42 1HG1 VAL 42 4.730 -1.521 -1.013 355 HG12 VAL 42 2HG1 VAL 42 3.114 -2.167 -0.712 356 HG13 VAL 42 3HG1 VAL 42 3.572 -0.597 -0.053 357 HG21 VAL 42 3HG2 VAL 42 5.264 -0.148 -2.400 358 HG22 VAL 42 1HG2 VAL 42 4.179 1.025 -3.143 359 HG23 VAL 42 2HG2 VAL 42 4.424 -0.547 -3.898 360 H TRP 43 H TRP 43 0.248 -0.214 -2.928 361 HA TRP 43 HA TRP 43 -1.039 -1.624 -0.785 362 HD1 TRP 43 HD TRP 43 -4.594 -0.761 -2.474 363 HE1 TRP 43 1HE TRP 43 -6.363 -0.673 -0.606 364 HE3 TRP 43 3HE TRP 43 -1.668 0.994 1.335 365 HZ2 TRP 43 2HZ TRP 43 -6.501 0.045 2.121 366 HZ3 TRP 43 3HZ TRP 43 -2.696 1.355 3.541 367 HH2 TRP 43 HH TRP 43 -5.063 0.891 3.924 368 HB2 TRP 43 2HB TRP 43 -1.343 0.808 -1.127 369 HB3 TRP 43 1HB TRP 43 -2.159 0.479 -2.652 370 H THR 44 H THR 44 -1.185 -1.649 -4.292 371 HA THR 44 HA THR 44 -3.599 -3.236 -4.369 372 HB THR 44 HB THR 44 -1.720 -2.971 -6.691 373 HG1 THR 44 1HG THR 44 -1.807 -0.886 -6.031 374 HG21 THR 44 3HG2 THR 44 -3.638 -2.992 -8.030 375 HG22 THR 44 1HG2 THR 44 -4.702 -2.671 -6.660 376 HG23 THR 44 2HG2 THR 44 -3.910 -4.240 -6.812 377 H LEU 45 H LEU 45 -0.184 -3.837 -5.167 378 HA LEU 45 HA LEU 45 -0.353 -6.534 -5.765 379 HB2 LEU 45 2HB LEU 45 1.822 -4.835 -4.592 380 HB3 LEU 45 1HB LEU 45 2.053 -6.565 -4.752 381 HD11 LEU 45 1HD1 LEU 45 2.261 -7.055 -8.069 382 HD12 LEU 45 2HD1 LEU 45 0.694 -6.253 -8.156 383 HD13 LEU 45 3HD1 LEU 45 1.020 -7.414 -6.870 384 HD21 LEU 45 3HD2 LEU 45 1.791 -4.078 -8.178 385 HD22 LEU 45 1HD2 LEU 45 2.023 -3.380 -6.575 386 HD23 LEU 45 2HD2 LEU 45 0.460 -4.067 -7.020 387 H LYS 46 H LYS 46 -0.221 -4.897 -2.679 388 HA LYS 46 HA LYS 46 0.143 -7.203 -1.067 389 HB2 LYS 46 2HB LYS 46 0.680 -5.201 0.007 390 HB3 LYS 46 1HB LYS 46 -0.741 -4.374 -0.604 391 HG2 LYS 46 2HG LYS 46 -1.863 -6.284 0.984 392 HG3 LYS 46 1HG LYS 46 -0.370 -5.927 1.845 393 HD2 LYS 46 2HD LYS 46 -1.624 -3.497 0.937 394 HD3 LYS 46 1HD LYS 46 -2.757 -4.463 1.883 395 HE2 LYS 46 2HE LYS 46 -1.029 -4.639 3.662 396 HE3 LYS 46 1HE LYS 46 -0.014 -3.539 2.728 397 HZ1 LYS 46 3HZ LYS 46 -1.282 -1.769 3.263 398 HZ2 LYS 46 1HZ LYS 46 -1.682 -2.716 4.607 399 HZ3 LYS 46 2HZ LYS 46 -2.729 -2.645 3.280 400 H ASP 47 H ASP 47 -2.755 -5.193 -1.624 401 HA ASP 47 HA ASP 47 -4.582 -6.907 -0.390 402 HB2 ASP 47 2HB ASP 47 -4.698 -4.471 -1.780 403 HB3 ASP 47 1HB ASP 47 -5.776 -5.553 -2.654 404 H GLU 48 H GLU 48 -3.180 -6.942 -3.577 405 HA GLU 48 HA GLU 48 -4.987 -8.893 -4.652 406 HB2 GLU 48 2HB GLU 48 -3.449 -7.108 -5.852 407 HB3 GLU 48 1HB GLU 48 -2.280 -8.421 -5.818 408 HG2 GLU 48 2HG GLU 48 -3.734 -9.836 -7.083 409 HG3 GLU 48 1HG GLU 48 -5.044 -8.658 -6.979 410 H ILE 49 H ILE 49 -1.557 -8.977 -3.638 411 HA ILE 49 HA ILE 49 -1.238 -11.730 -4.029 412 HB ILE 49 HB ILE 49 0.691 -10.246 -3.753 413 HG12 ILE 49 2HG1 ILE 49 2.042 -11.769 -2.410 414 HG13 ILE 49 1HG1 ILE 49 0.595 -12.414 -1.648 415 HG21 ILE 49 1HG2 ILE 49 -0.478 -9.040 -1.757 416 HG22 ILE 49 2HG2 ILE 49 1.281 -9.150 -1.843 417 HG23 ILE 49 3HG2 ILE 49 0.373 -10.248 -0.800 418 HD11 ILE 49 3HD1 ILE 49 1.363 -12.683 -4.541 419 HD12 ILE 49 1HD1 ILE 49 -0.140 -13.264 -3.833 420 HD13 ILE 49 2HD1 ILE 49 1.400 -13.946 -3.316 421 H LEU 50 H LEU 50 -2.805 -9.986 -1.497 422 HA LEU 50 HA LEU 50 -2.703 -12.172 0.381 423 HG LEU 50 HG LEU 50 -4.274 -11.794 2.395 424 HB2 LEU 50 2HB LEU 50 -3.049 -9.571 0.786 425 HB3 LEU 50 1HB LEU 50 -4.741 -10.007 0.599 426 HD11 LEU 50 1HD1 LEU 50 -2.438 -10.720 3.960 427 HD12 LEU 50 2HD1 LEU 50 -1.785 -10.188 2.411 428 HD13 LEU 50 3HD1 LEU 50 -2.024 -11.906 2.721 429 HD21 LEU 50 3HD2 LEU 50 -5.709 -10.023 2.950 430 HD22 LEU 50 1HD2 LEU 50 -4.409 -8.835 2.884 431 HD23 LEU 50 2HD2 LEU 50 -4.469 -10.002 4.203 432 H THR 51 H THR 51 -4.835 -10.947 -2.089 433 HA THR 51 HA THR 51 -7.148 -12.412 -1.465 434 HB THR 51 HB THR 51 -6.095 -11.335 -4.081 435 HG1 THR 51 1HG THR 51 -7.608 -9.725 -3.691 436 HG21 THR 51 3HG2 THR 51 -8.469 -11.495 -4.862 437 HG22 THR 51 1HG2 THR 51 -8.761 -12.593 -3.512 438 HG23 THR 51 2HG2 THR 51 -7.598 -13.026 -4.764 439 H PHE 52 H PHE 52 -4.253 -13.287 -3.316 440 HA PHE 52 HA PHE 52 -5.337 -15.731 -4.308 441 HD1 PHE 52 2HD PHE 52 -1.491 -14.326 -2.846 442 HD2 PHE 52 1HD PHE 52 -2.267 -17.642 -5.381 443 HE1 PHE 52 2HE PHE 52 0.578 -15.390 -2.048 444 HE2 PHE 52 1HE PHE 52 -0.201 -18.726 -4.598 445 HZ PHE 52 HZ PHE 52 1.225 -17.603 -2.934 446 HB2 PHE 52 2HB PHE 52 -3.521 -15.668 -5.605 447 HB3 PHE 52 1HB PHE 52 -3.054 -14.187 -4.790 448 H THR 53 H THR 53 -6.157 -16.012 -1.908 449 HA THR 53 HA THR 53 -4.983 -18.353 -0.910 450 HB THR 53 HB THR 53 -4.344 -15.831 0.637 451 HG1 THR 53 1HG THR 53 -2.773 -18.001 -0.283 452 HG21 THR 53 3HG2 THR 53 -4.657 -16.917 2.539 453 HG22 THR 53 1HG2 THR 53 -3.300 -17.944 2.072 454 HG23 THR 53 2HG2 THR 53 -4.951 -18.443 1.706 455 H VAL 54 H VAL 54 -6.455 -15.555 0.739 456 HA VAL 54 HA VAL 54 -8.487 -17.205 1.890 457 HB VAL 54 HB VAL 54 -8.627 -14.209 1.823 458 HG11 VAL 54 1HG1 VAL 54 -9.978 -14.402 3.645 459 HG12 VAL 54 2HG1 VAL 54 -9.156 -15.846 4.239 460 HG13 VAL 54 3HG1 VAL 54 -10.302 -15.968 2.904 461 HG21 VAL 54 3HG2 VAL 54 -6.557 -15.870 3.104 462 HG22 VAL 54 1HG2 VAL 54 -7.280 -14.624 4.117 463 HG23 VAL 54 2HG2 VAL 54 -6.509 -14.181 2.596 464 H THR 55 H THR 55 -10.010 -18.006 0.553 465 HA THR 55 HA THR 55 -11.722 -18.098 -0.934 466 HB THR 55 HB THR 55 -12.102 -15.141 -0.879 467 HG1 THR 55 1HG THR 55 -11.856 -15.141 1.204 468 HG21 THR 55 3HG2 THR 55 -14.314 -15.581 -1.025 469 HG22 THR 55 1HG2 THR 55 -14.205 -17.039 -0.040 470 HG23 THR 55 2HG2 THR 55 -13.706 -17.079 -1.735 471 H GLU 56 H GLU 56 -12.356 -15.683 -2.720 472 HA GLU 56 HA GLU 56 -10.014 -15.828 -4.485 473 HB2 GLU 56 2HB GLU 56 -12.799 -16.684 -5.040 474 HB3 GLU 56 1HB GLU 56 -12.002 -15.771 -6.312 475 HG2 GLU 56 2HG GLU 56 -10.135 -17.394 -6.249 476 HG3 GLU 56 1HG GLU 56 -11.039 -18.336 -5.064 Start of MODEL 19 1 HA THR 1 HA THR 1 4.667 13.949 -12.606 2 HB THR 1 HB THR 1 2.909 12.669 -10.537 3 HG1 THR 1 1HG THR 1 4.290 11.038 -10.775 4 H1 THR 1 1HT THR 1 6.310 14.047 -10.742 5 H2 THR 1 2HT THR 1 6.157 12.566 -11.599 6 H3 THR 1 3HT THR 1 5.435 12.745 -10.057 7 HG21 THR 1 1HG2 THR 1 1.441 13.191 -12.142 8 HG22 THR 1 2HG2 THR 1 2.100 11.767 -12.958 9 HG23 THR 1 3HG2 THR 1 2.693 13.379 -13.366 10 H THR 2 H THR 2 3.628 13.968 -9.190 11 HA THR 2 HA THR 2 3.275 16.880 -9.399 12 HB THR 2 HB THR 2 1.331 16.019 -7.588 13 HG1 THR 2 1HG THR 2 0.195 14.454 -8.704 14 HG21 THR 2 3HG2 THR 2 0.788 16.590 -10.482 15 HG22 THR 2 1HG2 THR 2 1.190 17.845 -9.310 16 HG23 THR 2 2HG2 THR 2 -0.264 16.872 -9.094 17 H TYR 3 H TYR 3 3.296 18.008 -7.340 18 HA TYR 3 HA TYR 3 5.150 16.717 -5.478 19 HD1 TYR 3 2HD TYR 3 2.892 19.858 -4.325 20 HD2 TYR 3 1HD TYR 3 5.243 20.362 -7.836 21 HE1 TYR 3 2HE TYR 3 1.420 21.699 -5.043 22 HE2 TYR 3 1HE TYR 3 3.777 22.196 -8.564 23 HH TYR 3 HH TYR 3 0.890 22.718 -7.642 24 HB2 TYR 3 2HB TYR 3 5.400 19.064 -4.587 25 HB3 TYR 3 1HB TYR 3 5.933 18.833 -6.240 26 H LYS 4 H LYS 4 2.191 16.221 -5.574 27 HA LYS 4 HA LYS 4 1.758 16.432 -2.730 28 HB2 LYS 4 2HB LYS 4 0.782 18.498 -4.200 29 HB3 LYS 4 1HB LYS 4 -0.585 17.391 -4.231 30 HG2 LYS 4 2HG LYS 4 0.773 18.505 -1.791 31 HG3 LYS 4 1HG LYS 4 -0.827 18.923 -2.401 32 HD2 LYS 4 2HD LYS 4 -0.127 16.099 -1.655 33 HD3 LYS 4 1HD LYS 4 -0.681 17.255 -0.451 34 HE2 LYS 4 2HE LYS 4 -2.394 17.351 -2.748 35 HE3 LYS 4 1HE LYS 4 -2.246 15.690 -2.171 36 HZ1 LYS 4 3HZ LYS 4 -3.073 18.038 -0.564 37 HZ2 LYS 4 1HZ LYS 4 -2.846 16.477 0.051 38 HZ3 LYS 4 2HZ LYS 4 -4.068 16.774 -1.077 39 H LEU 5 H LEU 5 1.858 14.160 -2.855 40 HA LEU 5 HA LEU 5 -0.591 12.941 -3.944 41 HG LEU 5 HG LEU 5 2.224 11.806 -6.291 42 HB2 LEU 5 2HB LEU 5 1.975 11.403 -3.809 43 HB3 LEU 5 1HB LEU 5 0.555 11.101 -4.791 44 HD11 LEU 5 1HD1 LEU 5 -0.072 13.412 -5.851 45 HD12 LEU 5 2HD1 LEU 5 0.787 13.106 -7.358 46 HD13 LEU 5 3HD1 LEU 5 1.249 14.471 -6.341 47 HD21 LEU 5 3HD2 LEU 5 3.395 13.022 -4.163 48 HD22 LEU 5 1HD2 LEU 5 2.828 14.407 -5.088 49 HD23 LEU 5 2HD2 LEU 5 3.898 13.223 -5.838 50 H ILE 6 H ILE 6 1.969 12.803 -1.529 51 HA ILE 6 HA ILE 6 1.743 12.341 0.721 52 HB ILE 6 HB ILE 6 -0.890 12.286 0.151 53 HG12 ILE 6 2HG1 ILE 6 -0.840 11.211 2.698 54 HG13 ILE 6 1HG1 ILE 6 0.767 11.904 2.523 55 HG21 ILE 6 1HG2 ILE 6 -0.508 9.788 -0.483 56 HG22 ILE 6 2HG2 ILE 6 -1.932 10.252 0.448 57 HG23 ILE 6 3HG2 ILE 6 -0.544 9.541 1.261 58 HD11 ILE 6 3HD1 ILE 6 -0.463 14.006 1.708 59 HD12 ILE 6 1HD1 ILE 6 -0.495 13.624 3.432 60 HD13 ILE 6 2HD1 ILE 6 -1.896 13.266 2.419 61 H LEU 7 H LEU 7 1.266 9.999 -1.799 62 HA LEU 7 HA LEU 7 2.053 7.904 -2.144 63 HG LEU 7 HG LEU 7 3.738 9.293 -3.117 64 HB2 LEU 7 2HB LEU 7 4.163 9.118 -0.397 65 HB3 LEU 7 1HB LEU 7 4.296 7.451 -0.929 66 HD11 LEU 7 1HD1 LEU 7 6.249 9.997 -3.052 67 HD12 LEU 7 2HD1 LEU 7 6.065 9.765 -1.311 68 HD13 LEU 7 3HD1 LEU 7 5.042 10.929 -2.163 69 HD21 LEU 7 3HD2 LEU 7 4.368 7.059 -3.595 70 HD22 LEU 7 1HD2 LEU 7 5.784 7.168 -2.551 71 HD23 LEU 7 2HD2 LEU 7 5.727 8.081 -4.057 72 H ASN 8 H ASN 8 3.387 7.888 1.111 73 HA ASN 8 HA ASN 8 2.833 6.710 2.992 74 HB2 ASN 8 2HB ASN 8 0.292 7.201 1.790 75 HB3 ASN 8 1HB ASN 8 0.313 5.525 2.331 76 HD21 ASN 8 1HD2 ASN 8 0.539 8.859 3.301 77 HD22 ASN 8 2HD2 ASN 8 0.273 8.591 4.986 78 H LEU 9 H LEU 9 4.173 5.687 0.692 79 HA LEU 9 HA LEU 9 3.363 3.014 0.151 80 HG LEU 9 HG LEU 9 6.805 3.027 -1.786 81 HB2 LEU 9 2HB LEU 9 4.597 3.761 -1.588 82 HB3 LEU 9 1HB LEU 9 5.533 4.855 -0.588 83 HD11 LEU 9 1HD1 LEU 9 8.414 3.205 -0.241 84 HD12 LEU 9 2HD1 LEU 9 7.382 2.607 1.058 85 HD13 LEU 9 3HD1 LEU 9 7.272 4.292 0.548 86 HD21 LEU 9 3HD2 LEU 9 4.892 1.367 -0.719 87 HD22 LEU 9 1HD2 LEU 9 6.289 1.084 0.317 88 HD23 LEU 9 2HD2 LEU 9 6.425 0.861 -1.425 89 H LYS 10 H LYS 10 5.812 4.474 2.254 90 HA LYS 10 HA LYS 10 7.150 2.224 3.105 91 HB2 LYS 10 2HB LYS 10 7.526 4.723 3.680 92 HB3 LYS 10 1HB LYS 10 6.441 4.417 5.027 93 HG2 LYS 10 2HG LYS 10 8.334 2.342 5.058 94 HG3 LYS 10 1HG LYS 10 9.231 3.835 4.775 95 HD2 LYS 10 2HD LYS 10 7.211 4.193 6.810 96 HD3 LYS 10 1HD LYS 10 8.294 2.859 7.213 97 HE2 LYS 10 2HE LYS 10 9.174 4.911 8.131 98 HE3 LYS 10 1HE LYS 10 10.224 4.355 6.827 99 HZ1 LYS 10 3HZ LYS 10 10.027 6.479 6.165 100 HZ2 LYS 10 1HZ LYS 10 8.569 6.734 6.989 101 HZ3 LYS 10 2HZ LYS 10 8.571 5.950 5.484 102 H GLN 11 H GLN 11 4.048 3.478 4.187 103 HA GLN 11 HA GLN 11 3.810 1.427 6.222 104 HB2 GLN 11 2HB GLN 11 2.836 3.981 6.001 105 HB3 GLN 11 1HB GLN 11 1.424 3.016 5.597 106 HG2 GLN 11 2HG GLN 11 2.380 1.731 7.808 107 HG3 GLN 11 1HG GLN 11 2.750 3.419 8.161 108 HE21 GLN 11 1HE2 GLN 11 1.244 4.222 9.423 109 HE22 GLN 11 2HE2 GLN 11 -0.460 3.984 9.265 110 H ALA 12 H ALA 12 2.663 2.086 3.006 111 HA ALA 12 HA ALA 12 0.524 0.261 2.934 112 HB1 ALA 12 1HB ALA 12 1.977 1.900 1.046 113 HB2 ALA 12 2HB ALA 12 0.301 1.358 1.006 114 HB3 ALA 12 3HB ALA 12 1.575 0.327 0.357 115 H LYS 13 H LYS 13 3.979 -0.081 2.398 116 HA LYS 13 HA LYS 13 3.685 -2.860 1.647 117 HB2 LYS 13 2HB LYS 13 5.815 -2.806 0.882 118 HB3 LYS 13 1HB LYS 13 5.470 -1.088 0.821 119 HG2 LYS 13 2HG LYS 13 6.585 -1.838 3.387 120 HG3 LYS 13 1HG LYS 13 7.624 -2.326 2.049 121 HD2 LYS 13 2HD LYS 13 7.621 -0.088 1.168 122 HD3 LYS 13 1HD LYS 13 6.465 0.430 2.394 123 HE2 LYS 13 2HE LYS 13 8.038 0.542 4.027 124 HE3 LYS 13 1HE LYS 13 8.957 -0.818 3.379 125 HZ1 LYS 13 3HZ LYS 13 8.951 1.582 1.749 126 HZ2 LYS 13 1HZ LYS 13 10.219 0.525 2.118 127 HZ3 LYS 13 2HZ LYS 13 9.759 1.715 3.229 128 H GLU 14 H GLU 14 4.742 -1.002 4.459 129 HA GLU 14 HA GLU 14 5.809 -3.108 5.955 130 HB2 GLU 14 2HB GLU 14 5.856 -1.653 7.723 131 HB3 GLU 14 1HB GLU 14 5.620 -0.499 6.424 132 HG2 GLU 14 2HG GLU 14 4.123 0.191 8.042 133 HG3 GLU 14 1HG GLU 14 3.116 -0.733 6.936 134 H GLU 15 H GLU 15 2.492 -1.925 5.671 135 HA GLU 15 HA GLU 15 1.345 -3.856 7.422 136 HB2 GLU 15 2HB GLU 15 0.231 -1.715 6.787 137 HB3 GLU 15 1HB GLU 15 0.052 -2.331 5.148 138 HG2 GLU 15 2HG GLU 15 -1.975 -2.948 5.877 139 HG3 GLU 15 1HG GLU 15 -1.098 -4.331 6.529 140 H ALA 16 H ALA 16 2.132 -3.674 4.034 141 HA ALA 16 HA ALA 16 0.712 -5.950 3.173 142 HB1 ALA 16 1HB ALA 16 1.638 -4.133 1.709 143 HB2 ALA 16 2HB ALA 16 1.948 -5.776 1.154 144 HB3 ALA 16 3HB ALA 16 3.230 -4.855 1.941 145 H ILE 17 H ILE 17 3.945 -5.460 4.498 146 HA ILE 17 HA ILE 17 4.996 -8.013 3.993 147 HB ILE 17 HB ILE 17 5.546 -6.096 6.268 148 HG12 ILE 17 2HG1 ILE 17 6.174 -5.276 4.045 149 HG13 ILE 17 1HG1 ILE 17 7.605 -5.616 5.010 150 HG21 ILE 17 1HG2 ILE 17 7.765 -7.605 6.190 151 HG22 ILE 17 2HG2 ILE 17 6.565 -8.820 5.751 152 HG23 ILE 17 3HG2 ILE 17 6.408 -7.934 7.268 153 HD11 ILE 17 3HD1 ILE 17 8.313 -6.682 3.186 154 HD12 ILE 17 1HD1 ILE 17 6.688 -6.817 2.514 155 HD13 ILE 17 2HD1 ILE 17 7.243 -7.979 3.718 156 H LYS 18 H LYS 18 3.209 -6.721 6.774 157 HA LYS 18 HA LYS 18 3.109 -9.110 8.259 158 HB2 LYS 18 2HB LYS 18 1.140 -6.810 8.205 159 HB3 LYS 18 1HB LYS 18 1.223 -8.052 9.451 160 HG2 LYS 18 2HG LYS 18 3.782 -6.759 9.052 161 HG3 LYS 18 1HG LYS 18 2.513 -5.601 9.451 162 HD2 LYS 18 2HD LYS 18 2.600 -6.216 11.586 163 HD3 LYS 18 1HD LYS 18 2.222 -7.881 11.139 164 HE2 LYS 18 2HE LYS 18 4.998 -6.726 10.995 165 HE3 LYS 18 1HE LYS 18 4.367 -7.539 12.426 166 HZ1 LYS 18 3HZ LYS 18 5.601 -9.094 11.114 167 HZ2 LYS 18 1HZ LYS 18 4.709 -8.721 9.725 168 HZ3 LYS 18 2HZ LYS 18 3.963 -9.508 11.022 169 H GLU 19 H GLU 19 1.203 -7.843 5.629 170 HA GLU 19 HA GLU 19 -1.021 -9.547 5.763 171 HB2 GLU 19 2HB GLU 19 0.067 -7.600 3.954 172 HB3 GLU 19 1HB GLU 19 -0.460 -9.001 3.038 173 HG2 GLU 19 2HG GLU 19 -2.273 -7.483 3.111 174 HG3 GLU 19 1HG GLU 19 -2.669 -8.816 4.198 175 H LEU 20 H LEU 20 1.953 -9.841 3.813 176 HA LEU 20 HA LEU 20 1.234 -12.457 2.894 177 HG LEU 20 HG LEU 20 2.441 -13.345 1.246 178 HB2 LEU 20 2HB LEU 20 2.876 -10.572 1.914 179 HB3 LEU 20 1HB LEU 20 4.059 -11.562 2.746 180 HD11 LEU 20 1HD1 LEU 20 1.622 -11.761 -0.222 181 HD12 LEU 20 2HD1 LEU 20 3.067 -12.350 -1.045 182 HD13 LEU 20 3HD1 LEU 20 3.105 -10.809 -0.189 183 HD21 LEU 20 3HD2 LEU 20 4.447 -14.161 0.671 184 HD22 LEU 20 1HD2 LEU 20 5.074 -12.999 1.840 185 HD23 LEU 20 2HD2 LEU 20 5.040 -12.594 0.124 186 H VAL 21 H VAL 21 3.267 -11.158 5.457 187 HA VAL 21 HA VAL 21 4.610 -13.548 6.121 188 HB VAL 21 HB VAL 21 3.925 -11.170 7.855 189 HG11 VAL 21 1HG1 VAL 21 6.117 -12.306 9.000 190 HG12 VAL 21 2HG1 VAL 21 5.206 -13.730 8.496 191 HG13 VAL 21 3HG1 VAL 21 4.460 -12.534 9.558 192 HG21 VAL 21 3HG2 VAL 21 6.697 -11.721 7.015 193 HG22 VAL 21 1HG2 VAL 21 5.832 -10.189 7.149 194 HG23 VAL 21 2HG2 VAL 21 5.590 -11.218 5.737 195 H ASP 22 H ASP 22 1.450 -12.303 6.891 196 HA ASP 22 HA ASP 22 0.981 -14.434 8.813 197 HB2 ASP 22 2HB ASP 22 -0.479 -11.952 8.011 198 HB3 ASP 22 1HB ASP 22 -1.398 -13.268 8.735 199 H ALA 23 H ALA 23 0.090 -13.466 5.561 200 HA ALA 23 HA ALA 23 -1.872 -15.555 5.254 201 HB1 ALA 23 1HB ALA 23 -0.608 -13.953 3.045 202 HB2 ALA 23 2HB ALA 23 -1.905 -13.325 4.063 203 HB3 ALA 23 3HB ALA 23 -2.183 -14.747 3.056 204 H GLY 24 H GLY 24 1.523 -15.380 5.062 205 HA2 GLY 24 2HA GLY 24 3.145 -16.786 4.230 206 HA3 GLY 24 1HA GLY 24 2.010 -18.040 4.712 207 H ILE 25 H ILE 25 3.534 -16.456 2.068 208 HA ILE 25 HA ILE 25 2.753 -18.453 0.244 209 HB ILE 25 HB ILE 25 1.620 -16.656 -1.353 210 HG12 ILE 25 2HG1 ILE 25 0.767 -15.774 1.416 211 HG13 ILE 25 1HG1 ILE 25 1.669 -14.811 0.250 212 HG21 ILE 25 1HG2 ILE 25 0.824 -18.915 -0.170 213 HG22 ILE 25 2HG2 ILE 25 -0.240 -17.916 -1.162 214 HG23 ILE 25 3HG2 ILE 25 -0.287 -17.778 0.595 215 HD11 ILE 25 3HD1 ILE 25 -0.170 -14.271 -0.911 216 HD12 ILE 25 1HD1 ILE 25 -0.991 -14.671 0.597 217 HD13 ILE 25 2HD1 ILE 25 -0.902 -15.861 -0.701 218 H ALA 26 H ALA 26 3.113 -17.368 -2.178 219 HA ALA 26 HA ALA 26 5.731 -17.225 -2.661 220 HB1 ALA 26 1HB ALA 26 5.097 -15.569 -4.584 221 HB2 ALA 26 2HB ALA 26 3.449 -15.887 -4.035 222 HB3 ALA 26 3HB ALA 26 4.469 -17.218 -4.579 223 H GLU 27 H GLU 27 7.026 -16.190 -1.198 224 HA GLU 27 HA GLU 27 6.701 -13.640 -0.161 225 HB2 GLU 27 2HB GLU 27 9.120 -13.673 0.295 226 HB3 GLU 27 1HB GLU 27 8.358 -15.201 0.717 227 HG2 GLU 27 2HG GLU 27 9.147 -15.609 -1.880 228 HG3 GLU 27 1HG GLU 27 10.450 -14.623 -1.217 229 H LYS 28 H LYS 28 7.722 -14.636 -3.298 230 HA LYS 28 HA LYS 28 9.216 -12.580 -4.291 231 HB2 LYS 28 2HB LYS 28 8.820 -14.254 -5.838 232 HB3 LYS 28 1HB LYS 28 7.107 -14.343 -5.468 233 HG2 LYS 28 2HG LYS 28 6.874 -13.365 -7.456 234 HG3 LYS 28 1HG LYS 28 7.247 -11.882 -6.584 235 HD2 LYS 28 2HD LYS 28 9.289 -11.684 -7.530 236 HD3 LYS 28 1HD LYS 28 9.580 -13.424 -7.506 237 HE2 LYS 28 2HE LYS 28 8.911 -13.655 -9.621 238 HE3 LYS 28 1HE LYS 28 7.453 -12.705 -9.341 239 HZ1 LYS 28 3HZ LYS 28 10.114 -11.458 -9.709 240 HZ2 LYS 28 1HZ LYS 28 8.594 -10.719 -9.794 241 HZ3 LYS 28 2HZ LYS 28 9.084 -11.791 -11.007 242 H TYR 29 H TYR 29 5.669 -12.621 -3.972 243 HA TYR 29 HA TYR 29 5.288 -10.044 -5.034 244 HD1 TYR 29 1HD TYR 29 3.720 -12.802 -6.051 245 HD2 TYR 29 2HD TYR 29 2.048 -9.051 -4.939 246 HE1 TYR 29 1HE TYR 29 2.558 -12.685 -8.214 247 HE2 TYR 29 2HE TYR 29 0.880 -8.924 -7.100 248 HH TYR 29 HH TYR 29 0.049 -10.742 -8.853 249 HB2 TYR 29 2HB TYR 29 3.642 -12.032 -3.666 250 HB3 TYR 29 1HB TYR 29 3.168 -10.365 -3.316 251 H ILE 30 H ILE 30 6.162 -11.213 -1.884 252 HA ILE 30 HA ILE 30 5.636 -8.896 -0.380 253 HB ILE 30 HB ILE 30 6.607 -11.383 0.226 254 HG12 ILE 30 2HG1 ILE 30 6.769 -8.898 1.939 255 HG13 ILE 30 1HG1 ILE 30 5.337 -9.894 1.703 256 HG21 ILE 30 1HG2 ILE 30 8.800 -11.354 0.987 257 HG22 ILE 30 2HG2 ILE 30 8.879 -9.592 0.998 258 HG23 ILE 30 3HG2 ILE 30 8.898 -10.464 -0.533 259 HD11 ILE 30 3HD1 ILE 30 5.971 -11.324 3.274 260 HD12 ILE 30 1HD1 ILE 30 7.192 -10.134 3.724 261 HD13 ILE 30 2HD1 ILE 30 7.603 -11.445 2.618 262 H LYS 31 H LYS 31 8.091 -9.729 -2.669 263 HA LYS 31 HA LYS 31 9.934 -7.676 -1.907 264 HB2 LYS 31 2HB LYS 31 10.760 -9.664 -3.035 265 HB3 LYS 31 1HB LYS 31 9.744 -9.334 -4.431 266 HG2 LYS 31 2HG LYS 31 11.591 -8.396 -5.274 267 HG3 LYS 31 1HG LYS 31 11.156 -7.019 -4.257 268 HD2 LYS 31 2HD LYS 31 12.920 -7.326 -2.915 269 HD3 LYS 31 1HD LYS 31 12.650 -9.067 -2.816 270 HE2 LYS 31 2HE LYS 31 13.860 -7.749 -5.234 271 HE3 LYS 31 1HE LYS 31 14.833 -8.302 -3.870 272 HZ1 LYS 31 3HZ LYS 31 14.503 -9.875 -5.838 273 HZ2 LYS 31 1HZ LYS 31 12.944 -10.122 -5.226 274 HZ3 LYS 31 2HZ LYS 31 14.295 -10.507 -4.282 275 H LEU 32 H LEU 32 7.314 -7.981 -4.292 276 HA LEU 32 HA LEU 32 7.892 -5.605 -5.690 277 HG LEU 32 HG LEU 32 5.581 -8.351 -5.057 278 HB2 LEU 32 2HB LEU 32 5.027 -6.008 -5.447 279 HB3 LEU 32 1HB LEU 32 6.044 -6.005 -6.879 280 HD11 LEU 32 1HD1 LEU 32 4.589 -7.849 -7.854 281 HD12 LEU 32 2HD1 LEU 32 3.615 -7.711 -6.391 282 HD13 LEU 32 3HD1 LEU 32 4.276 -9.276 -6.866 283 HD21 LEU 32 3HD2 LEU 32 6.957 -9.626 -6.413 284 HD22 LEU 32 1HD2 LEU 32 7.826 -8.093 -6.342 285 HD23 LEU 32 2HD2 LEU 32 6.853 -8.490 -7.757 286 H ILE 33 H ILE 33 6.286 -6.217 -2.671 287 HA ILE 33 HA ILE 33 5.485 -3.429 -2.386 288 HB ILE 33 HB ILE 33 4.727 -4.266 -0.071 289 HG12 ILE 33 2HG1 ILE 33 5.027 -6.906 -1.513 290 HG13 ILE 33 1HG1 ILE 33 5.966 -6.383 -0.119 291 HG21 ILE 33 1HG2 ILE 33 3.439 -5.131 -2.645 292 HG22 ILE 33 2HG2 ILE 33 3.149 -3.654 -1.726 293 HG23 ILE 33 3HG2 ILE 33 2.642 -5.210 -1.075 294 HD11 ILE 33 3HD1 ILE 33 4.095 -7.962 0.354 295 HD12 ILE 33 1HD1 ILE 33 2.993 -6.657 -0.076 296 HD13 ILE 33 2HD1 ILE 33 4.095 -6.468 1.287 297 H ALA 34 H ALA 34 7.544 -5.803 -0.731 298 HA ALA 34 HA ALA 34 8.543 -4.113 1.240 299 HB1 ALA 34 1HB ALA 34 10.001 -6.410 -0.063 300 HB2 ALA 34 2HB ALA 34 8.810 -6.569 1.228 301 HB3 ALA 34 3HB ALA 34 10.324 -5.718 1.526 302 H ASN 35 H ASN 35 9.380 -4.453 -2.125 303 HA ASN 35 HA ASN 35 11.807 -2.895 -1.873 304 HB2 ASN 35 2HB ASN 35 11.794 -4.686 -3.498 305 HB3 ASN 35 1HB ASN 35 10.369 -4.012 -4.290 306 HD21 ASN 35 1HD2 ASN 35 13.331 -2.468 -3.119 307 HD22 ASN 35 2HD2 ASN 35 13.803 -1.815 -4.647 308 H ALA 36 H ALA 36 8.471 -2.303 -2.344 309 HA ALA 36 HA ALA 36 7.268 -0.403 -2.709 310 HB1 ALA 36 1HB ALA 36 8.183 1.651 -1.957 311 HB2 ALA 36 2HB ALA 36 9.834 1.107 -2.247 312 HB3 ALA 36 3HB ALA 36 8.886 0.393 -0.942 313 H LYS 37 H LYS 37 8.642 2.098 -3.833 314 HA LYS 37 HA LYS 37 9.423 2.941 -5.834 315 HB2 LYS 37 2HB LYS 37 10.231 0.409 -6.204 316 HB3 LYS 37 1HB LYS 37 8.937 0.466 -7.403 317 HG2 LYS 37 2HG LYS 37 10.739 1.116 -8.656 318 HG3 LYS 37 1HG LYS 37 10.112 2.681 -8.135 319 HD2 LYS 37 2HD LYS 37 12.016 1.499 -6.258 320 HD3 LYS 37 1HD LYS 37 12.704 1.822 -7.852 321 HE2 LYS 37 2HE LYS 37 12.161 4.119 -7.724 322 HE3 LYS 37 1HE LYS 37 11.116 3.870 -6.326 323 HZ1 LYS 37 3HZ LYS 37 13.177 4.824 -5.613 324 HZ2 LYS 37 1HZ LYS 37 14.074 3.619 -6.393 325 HZ3 LYS 37 2HZ LYS 37 13.113 3.227 -5.058 326 H THR 38 H THR 38 6.539 1.118 -5.382 327 HA THR 38 HA THR 38 5.127 2.974 -7.143 328 HB THR 38 HB THR 38 3.695 0.727 -7.625 329 HG1 THR 38 1HG THR 38 5.207 -0.922 -8.089 330 HG21 THR 38 3HG2 THR 38 4.367 0.861 -9.791 331 HG22 THR 38 1HG2 THR 38 6.062 1.104 -9.368 332 HG23 THR 38 2HG2 THR 38 4.916 2.434 -9.210 333 H VAL 39 H VAL 39 4.650 3.872 -5.009 334 HA VAL 39 HA VAL 39 3.469 2.768 -2.841 335 HB VAL 39 HB VAL 39 3.883 5.179 -3.075 336 HG11 VAL 39 1HG1 VAL 39 1.277 5.395 -4.552 337 HG12 VAL 39 2HG1 VAL 39 2.827 5.287 -5.388 338 HG13 VAL 39 3HG1 VAL 39 2.506 6.632 -4.295 339 HG21 VAL 39 3HG2 VAL 39 1.588 3.956 -1.838 340 HG22 VAL 39 1HG2 VAL 39 1.246 5.633 -2.263 341 HG23 VAL 39 2HG2 VAL 39 2.630 5.247 -1.241 342 H GLU 40 H GLU 40 1.723 3.621 -5.823 343 HA GLU 40 HA GLU 40 -0.809 2.809 -4.920 344 HB2 GLU 40 2HB GLU 40 -0.773 2.307 -7.693 345 HB3 GLU 40 1HB GLU 40 -1.404 3.719 -6.863 346 HG2 GLU 40 2HG GLU 40 0.740 4.823 -7.055 347 HG3 GLU 40 1HG GLU 40 1.425 3.397 -7.832 348 H GLY 41 H GLY 41 1.586 1.060 -6.897 349 HA2 GLY 41 2HA GLY 41 0.147 -1.369 -6.972 350 HA3 GLY 41 1HA GLY 41 1.874 -1.197 -7.234 351 H VAL 42 H VAL 42 2.508 -0.108 -4.656 352 HA VAL 42 HA VAL 42 3.083 -2.371 -3.196 353 HB VAL 42 HB VAL 42 2.554 0.355 -2.009 354 HG11 VAL 42 1HG1 VAL 42 3.521 -0.368 -0.115 355 HG12 VAL 42 2HG1 VAL 42 4.737 -1.308 -0.982 356 HG13 VAL 42 3HG1 VAL 42 3.125 -1.977 -0.717 357 HG21 VAL 42 3HG2 VAL 42 4.366 1.151 -3.036 358 HG22 VAL 42 1HG2 VAL 42 4.372 -0.306 -4.025 359 HG23 VAL 42 2HG2 VAL 42 5.322 -0.243 -2.546 360 H TRP 43 H TRP 43 0.262 -0.219 -2.905 361 HA TRP 43 HA TRP 43 -0.890 -1.871 -0.839 362 HD1 TRP 43 HD TRP 43 -3.703 -0.899 -3.520 363 HE1 TRP 43 1HE TRP 43 -4.324 0.958 -5.185 364 HE3 TRP 43 3HE TRP 43 -0.965 2.932 -1.523 365 HZ2 TRP 43 2HZ TRP 43 -3.741 3.689 -5.596 366 HZ3 TRP 43 3HZ TRP 43 -1.059 5.137 -2.612 367 HH2 TRP 43 HH TRP 43 -2.416 5.503 -4.605 368 HB2 TRP 43 2HB TRP 43 -2.673 -0.305 -0.729 369 HB3 TRP 43 1HB TRP 43 -1.197 0.625 -0.938 370 H THR 44 H THR 44 -1.037 -1.675 -4.302 371 HA THR 44 HA THR 44 -3.529 -3.124 -4.490 372 HB THR 44 HB THR 44 -1.562 -2.880 -6.747 373 HG1 THR 44 1HG THR 44 -3.302 -0.843 -5.821 374 HG21 THR 44 3HG2 THR 44 -3.278 -3.287 -8.105 375 HG22 THR 44 1HG2 THR 44 -4.370 -2.245 -7.193 376 HG23 THR 44 2HG2 THR 44 -4.085 -3.902 -6.662 377 H LEU 45 H LEU 45 -0.112 -3.869 -5.036 378 HA LEU 45 HA LEU 45 -0.450 -6.575 -5.708 379 HB2 LEU 45 2HB LEU 45 1.946 -5.448 -4.273 380 HB3 LEU 45 1HB LEU 45 1.893 -6.810 -5.376 381 HD11 LEU 45 1HD1 LEU 45 3.986 -4.696 -6.533 382 HD12 LEU 45 2HD1 LEU 45 3.344 -4.167 -4.978 383 HD13 LEU 45 3HD1 LEU 45 3.110 -3.171 -6.414 384 HD21 LEU 45 3HD2 LEU 45 1.395 -6.609 -7.545 385 HD22 LEU 45 1HD2 LEU 45 2.998 -5.933 -7.833 386 HD23 LEU 45 2HD2 LEU 45 1.568 -5.102 -8.445 387 H LYS 46 H LYS 46 -0.266 -4.874 -2.669 388 HA LYS 46 HA LYS 46 0.126 -7.130 -0.998 389 HB2 LYS 46 2HB LYS 46 0.636 -5.044 -0.032 390 HB3 LYS 46 1HB LYS 46 -0.870 -4.322 -0.569 391 HG2 LYS 46 2HG LYS 46 -2.047 -5.857 1.052 392 HG3 LYS 46 1HG LYS 46 -0.453 -6.253 1.694 393 HD2 LYS 46 2HD LYS 46 -0.360 -4.343 2.851 394 HD3 LYS 46 1HD LYS 46 -0.827 -3.390 1.443 395 HE2 LYS 46 2HE LYS 46 -2.917 -4.991 2.832 396 HE3 LYS 46 1HE LYS 46 -2.345 -3.510 3.601 397 HZ1 LYS 46 3HZ LYS 46 -4.270 -3.095 2.206 398 HZ2 LYS 46 1HZ LYS 46 -3.461 -3.712 0.855 399 HZ3 LYS 46 2HZ LYS 46 -2.914 -2.291 1.592 400 H ASP 47 H ASP 47 -2.803 -5.174 -1.577 401 HA ASP 47 HA ASP 47 -4.578 -6.930 -0.298 402 HB2 ASP 47 2HB ASP 47 -4.750 -4.493 -1.793 403 HB3 ASP 47 1HB ASP 47 -5.970 -5.610 -2.399 404 H GLU 48 H GLU 48 -3.231 -6.894 -3.505 405 HA GLU 48 HA GLU 48 -5.057 -8.815 -4.599 406 HB2 GLU 48 2HB GLU 48 -3.755 -7.067 -5.907 407 HB3 GLU 48 1HB GLU 48 -2.337 -8.082 -5.678 408 HG2 GLU 48 2HG GLU 48 -4.834 -9.193 -6.888 409 HG3 GLU 48 1HG GLU 48 -3.680 -8.282 -7.861 410 H ILE 49 H ILE 49 -1.617 -8.930 -3.622 411 HA ILE 49 HA ILE 49 -1.295 -11.668 -4.086 412 HB ILE 49 HB ILE 49 0.620 -10.155 -3.748 413 HG12 ILE 49 2HG1 ILE 49 1.997 -11.744 -2.530 414 HG13 ILE 49 1HG1 ILE 49 0.575 -12.448 -1.776 415 HG21 ILE 49 1HG2 ILE 49 0.298 -10.350 -0.798 416 HG22 ILE 49 2HG2 ILE 49 -0.535 -9.076 -1.686 417 HG23 ILE 49 3HG2 ILE 49 1.224 -9.198 -1.763 418 HD11 ILE 49 3HD1 ILE 49 1.334 -12.570 -4.681 419 HD12 ILE 49 1HD1 ILE 49 -0.194 -13.149 -4.029 420 HD13 ILE 49 2HD1 ILE 49 1.320 -13.894 -3.522 421 H LEU 50 H LEU 50 -2.863 -9.997 -1.505 422 HA LEU 50 HA LEU 50 -2.772 -12.245 0.304 423 HG LEU 50 HG LEU 50 -4.232 -11.970 2.319 424 HB2 LEU 50 2HB LEU 50 -3.103 -9.656 0.795 425 HB3 LEU 50 1HB LEU 50 -4.797 -10.077 0.595 426 HD11 LEU 50 1HD1 LEU 50 -1.928 -10.109 2.486 427 HD12 LEU 50 2HD1 LEU 50 -1.982 -11.857 2.698 428 HD13 LEU 50 3HD1 LEU 50 -2.564 -10.793 3.980 429 HD21 LEU 50 3HD2 LEU 50 -4.401 -9.126 3.290 430 HD22 LEU 50 1HD2 LEU 50 -5.026 -10.579 4.068 431 HD23 LEU 50 2HD2 LEU 50 -5.766 -9.987 2.581 432 H THR 51 H THR 51 -4.886 -10.923 -2.133 433 HA THR 51 HA THR 51 -7.222 -12.363 -1.581 434 HB THR 51 HB THR 51 -6.101 -11.338 -4.191 435 HG1 THR 51 1HG THR 51 -8.009 -10.346 -2.353 436 HG21 THR 51 3HG2 THR 51 -8.870 -12.356 -3.639 437 HG22 THR 51 1HG2 THR 51 -7.697 -13.056 -4.747 438 HG23 THR 51 2HG2 THR 51 -8.380 -11.464 -5.078 439 H PHE 52 H PHE 52 -4.308 -13.266 -3.383 440 HA PHE 52 HA PHE 52 -5.408 -15.729 -4.338 441 HD1 PHE 52 2HD PHE 52 -1.417 -14.297 -3.118 442 HD2 PHE 52 1HD PHE 52 -2.507 -17.708 -5.402 443 HE1 PHE 52 2HE PHE 52 0.650 -15.415 -2.398 444 HE2 PHE 52 1HE PHE 52 -0.443 -18.846 -4.690 445 HZ PHE 52 HZ PHE 52 1.138 -17.701 -3.188 446 HB2 PHE 52 2HB PHE 52 -3.641 -15.628 -5.698 447 HB3 PHE 52 1HB PHE 52 -3.122 -14.171 -4.871 448 H THR 53 H THR 53 -6.140 -15.932 -1.874 449 HA THR 53 HA THR 53 -5.144 -18.290 -0.874 450 HB THR 53 HB THR 53 -3.737 -15.877 0.239 451 HG1 THR 53 1HG THR 53 -2.452 -17.108 -1.002 452 HG21 THR 53 3HG2 THR 53 -3.057 -17.686 2.082 453 HG22 THR 53 1HG2 THR 53 -4.750 -18.126 1.852 454 HG23 THR 53 2HG2 THR 53 -4.322 -16.480 2.326 455 H VAL 54 H VAL 54 -5.907 -15.206 0.746 456 HA VAL 54 HA VAL 54 -7.994 -16.492 2.259 457 HB VAL 54 HB VAL 54 -7.501 -13.526 2.242 458 HG11 VAL 54 1HG1 VAL 54 -8.121 -15.131 4.668 459 HG12 VAL 54 2HG1 VAL 54 -9.410 -14.875 3.489 460 HG13 VAL 54 3HG1 VAL 54 -8.613 -13.492 4.240 461 HG21 VAL 54 3HG2 VAL 54 -5.983 -14.154 4.277 462 HG22 VAL 54 1HG2 VAL 54 -5.331 -14.161 2.638 463 HG23 VAL 54 2HG2 VAL 54 -5.798 -15.676 3.409 464 H THR 55 H THR 55 -8.004 -13.489 0.322 465 HA THR 55 HA THR 55 -9.518 -12.641 -1.152 466 HB THR 55 HB THR 55 -11.194 -15.076 -1.282 467 HG1 THR 55 1HG THR 55 -8.446 -15.065 -1.927 468 HG21 THR 55 3HG2 THR 55 -9.830 -14.120 -3.677 469 HG22 THR 55 1HG2 THR 55 -10.872 -12.926 -2.903 470 HG23 THR 55 2HG2 THR 55 -11.536 -14.481 -3.403 471 H GLU 56 H GLU 56 -10.852 -11.174 -0.346 472 HA GLU 56 HA GLU 56 -12.533 -10.172 0.797 473 HB2 GLU 56 2HB GLU 56 -13.656 -12.321 -0.523 474 HB3 GLU 56 1HB GLU 56 -14.212 -12.552 1.128 475 HG2 GLU 56 2HG GLU 56 -14.986 -10.151 1.075 476 HG3 GLU 56 1HG GLU 56 -14.658 -10.182 -0.660 Start of MODEL 20 1 HA THR 1 HA THR 1 14.779 17.288 10.555 2 HB THR 1 HB THR 1 14.540 16.210 12.765 3 HG1 THR 1 1HG THR 1 14.894 14.184 12.011 4 H1 THR 1 1HT THR 1 12.502 17.892 12.283 5 H2 THR 1 2HT THR 1 12.900 18.883 10.945 6 H3 THR 1 3HT THR 1 14.038 18.650 12.195 7 HG21 THR 1 1HG2 THR 1 11.817 16.055 12.134 8 HG22 THR 1 2HG2 THR 1 12.632 15.443 13.570 9 HG23 THR 1 3HG2 THR 1 12.417 14.399 12.168 10 H THR 2 H THR 2 11.298 17.367 10.723 11 HA THR 2 HA THR 2 11.186 16.457 7.938 12 HB THR 2 HB THR 2 8.917 15.333 8.790 13 HG1 THR 2 1HG THR 2 10.660 14.930 10.982 14 HG21 THR 2 3HG2 THR 2 11.572 14.330 8.283 15 HG22 THR 2 1HG2 THR 2 10.005 13.642 7.867 16 HG23 THR 2 2HG2 THR 2 10.704 13.330 9.454 17 H TYR 3 H TYR 3 8.879 17.392 10.494 18 HA TYR 3 HA TYR 3 7.233 18.958 10.555 19 HD1 TYR 3 1HD TYR 3 8.421 21.143 12.122 20 HD2 TYR 3 2HD TYR 3 6.735 22.087 8.330 21 HE1 TYR 3 1HE TYR 3 7.126 22.958 13.153 22 HE2 TYR 3 2HE TYR 3 5.436 23.909 9.351 23 HH TYR 3 HH TYR 3 4.565 24.518 11.589 24 HB2 TYR 3 2HB TYR 3 9.432 20.333 10.007 25 HB3 TYR 3 1HB TYR 3 8.603 20.610 8.475 26 H LYS 4 H LYS 4 7.228 16.813 8.477 27 HA LYS 4 HA LYS 4 4.888 17.655 7.088 28 HB2 LYS 4 2HB LYS 4 6.635 18.772 5.719 29 HB3 LYS 4 1HB LYS 4 7.357 17.200 5.402 30 HG2 LYS 4 2HG LYS 4 5.012 16.584 4.497 31 HG3 LYS 4 1HG LYS 4 4.776 18.329 4.417 32 HD2 LYS 4 2HD LYS 4 5.578 17.633 2.287 33 HD3 LYS 4 1HD LYS 4 6.911 18.459 3.097 34 HE2 LYS 4 2HE LYS 4 8.158 16.587 3.225 35 HE3 LYS 4 1HE LYS 4 6.763 15.555 3.563 36 HZ1 LYS 4 3HZ LYS 4 7.709 16.519 0.926 37 HZ2 LYS 4 1HZ LYS 4 6.185 15.827 1.148 38 HZ3 LYS 4 2HZ LYS 4 7.584 14.922 1.462 39 H LEU 5 H LEU 5 7.580 15.424 6.380 40 HA LEU 5 HA LEU 5 7.680 13.168 6.176 41 HG LEU 5 HG LEU 5 8.100 13.528 8.542 42 HB2 LEU 5 2HB LEU 5 5.362 13.413 8.074 43 HB3 LEU 5 1HB LEU 5 5.946 11.852 7.532 44 HD11 LEU 5 1HD1 LEU 5 5.636 13.227 10.146 45 HD12 LEU 5 2HD1 LEU 5 6.891 14.472 10.204 46 HD13 LEU 5 3HD1 LEU 5 7.160 12.907 10.962 47 HD21 LEU 5 3HD2 LEU 5 7.147 10.882 9.597 48 HD22 LEU 5 1HD2 LEU 5 8.784 11.544 9.574 49 HD23 LEU 5 2HD2 LEU 5 8.022 11.018 8.072 50 H ILE 6 H ILE 6 4.156 13.179 6.476 51 HA ILE 6 HA ILE 6 2.551 12.341 5.078 52 HB ILE 6 HB ILE 6 4.066 13.894 2.982 53 HG12 ILE 6 2HG1 ILE 6 3.635 15.250 4.991 54 HG13 ILE 6 1HG1 ILE 6 2.696 15.808 3.606 55 HG21 ILE 6 1HG2 ILE 6 2.007 14.036 1.808 56 HG22 ILE 6 2HG2 ILE 6 1.119 13.326 3.158 57 HG23 ILE 6 3HG2 ILE 6 2.244 12.343 2.226 58 HD11 ILE 6 3HD1 ILE 6 1.161 13.887 5.010 59 HD12 ILE 6 1HD1 ILE 6 0.847 15.607 4.784 60 HD13 ILE 6 2HD1 ILE 6 1.788 15.060 6.170 61 H LEU 7 H LEU 7 2.980 10.141 5.061 62 HA LEU 7 HA LEU 7 4.501 9.169 2.730 63 HG LEU 7 HG LEU 7 5.663 9.909 5.240 64 HB2 LEU 7 2HB LEU 7 4.139 7.620 5.279 65 HB3 LEU 7 1HB LEU 7 5.264 7.309 3.969 66 HD11 LEU 7 1HD1 LEU 7 6.221 9.302 7.353 67 HD12 LEU 7 2HD1 LEU 7 6.586 7.647 6.909 68 HD13 LEU 7 3HD1 LEU 7 4.910 8.170 7.075 69 HD21 LEU 7 3HD2 LEU 7 7.952 9.320 5.056 70 HD22 LEU 7 1HD2 LEU 7 7.159 8.746 3.588 71 HD23 LEU 7 2HD2 LEU 7 7.564 7.614 4.878 72 H ASN 8 H ASN 8 3.844 6.541 2.787 73 HA ASN 8 HA ASN 8 1.218 5.802 3.215 74 HB2 ASN 8 2HB ASN 8 1.519 7.524 0.881 75 HB3 ASN 8 1HB ASN 8 0.823 5.959 0.464 76 HD21 ASN 8 1HD2 ASN 8 -0.938 5.239 2.020 77 HD22 ASN 8 2HD2 ASN 8 -2.093 6.443 2.468 78 H LEU 9 H LEU 9 3.806 5.596 0.767 79 HA LEU 9 HA LEU 9 3.300 2.917 0.038 80 HG LEU 9 HG LEU 9 5.195 1.887 -1.231 81 HB2 LEU 9 2HB LEU 9 4.566 4.468 -1.352 82 HB3 LEU 9 1HB LEU 9 5.813 4.575 -0.117 83 HD11 LEU 9 1HD1 LEU 9 5.979 2.250 -3.296 84 HD12 LEU 9 2HD1 LEU 9 7.212 3.380 -2.736 85 HD13 LEU 9 3HD1 LEU 9 5.557 3.935 -2.989 86 HD21 LEU 9 3HD2 LEU 9 7.007 2.831 0.560 87 HD22 LEU 9 1HD2 LEU 9 7.948 2.864 -0.931 88 HD23 LEU 9 2HD2 LEU 9 7.210 1.358 -0.387 89 H LYS 10 H LYS 10 5.653 4.392 2.240 90 HA LYS 10 HA LYS 10 7.011 2.148 3.083 91 HB2 LYS 10 2HB LYS 10 6.479 4.830 4.193 92 HB3 LYS 10 1HB LYS 10 6.942 3.612 5.372 93 HG2 LYS 10 2HG LYS 10 8.727 3.314 3.236 94 HG3 LYS 10 1HG LYS 10 8.570 5.053 3.498 95 HD2 LYS 10 2HD LYS 10 9.597 4.969 5.506 96 HD3 LYS 10 1HD LYS 10 8.847 3.433 5.940 97 HE2 LYS 10 2HE LYS 10 10.818 2.473 5.559 98 HE3 LYS 10 1HE LYS 10 10.566 2.807 3.846 99 HZ1 LYS 10 3HZ LYS 10 11.767 4.834 4.036 100 HZ2 LYS 10 1HZ LYS 10 12.710 3.630 4.760 101 HZ3 LYS 10 2HZ LYS 10 11.843 4.719 5.722 102 H GLN 11 H GLN 11 3.862 3.338 4.054 103 HA GLN 11 HA GLN 11 3.608 1.318 6.127 104 HB2 GLN 11 2HB GLN 11 2.328 3.831 5.496 105 HB3 GLN 11 1HB GLN 11 1.124 2.574 5.748 106 HG2 GLN 11 2HG GLN 11 2.682 2.095 7.861 107 HG3 GLN 11 1HG GLN 11 3.005 3.815 7.654 108 HE21 GLN 11 1HE2 GLN 11 1.947 3.627 9.873 109 HE22 GLN 11 2HE2 GLN 11 0.235 3.855 9.918 110 H ALA 12 H ALA 12 2.581 1.916 2.864 111 HA ALA 12 HA ALA 12 0.475 0.061 2.712 112 HB1 ALA 12 1HB ALA 12 1.964 1.710 0.891 113 HB2 ALA 12 2HB ALA 12 0.338 1.051 0.724 114 HB3 ALA 12 3HB ALA 12 1.729 0.103 0.204 115 H LYS 13 H LYS 13 3.954 -0.233 2.341 116 HA LYS 13 HA LYS 13 3.759 -3.041 1.669 117 HB2 LYS 13 2HB LYS 13 5.937 -2.950 1.007 118 HB3 LYS 13 1HB LYS 13 5.520 -1.252 0.846 119 HG2 LYS 13 2HG LYS 13 6.569 -1.911 3.488 120 HG3 LYS 13 1HG LYS 13 7.690 -2.256 2.171 121 HD2 LYS 13 2HD LYS 13 7.030 0.081 1.303 122 HD3 LYS 13 1HD LYS 13 6.438 0.347 2.943 123 HE2 LYS 13 2HE LYS 13 8.517 0.460 3.816 124 HE3 LYS 13 1HE LYS 13 9.139 -0.805 2.756 125 HZ1 LYS 13 3HZ LYS 13 10.068 1.483 2.398 126 HZ2 LYS 13 1HZ LYS 13 8.551 1.936 1.799 127 HZ3 LYS 13 2HZ LYS 13 9.444 0.732 1.017 128 H GLU 14 H GLU 14 4.584 -1.069 4.475 129 HA GLU 14 HA GLU 14 5.665 -3.112 6.073 130 HB2 GLU 14 2HB GLU 14 5.618 -1.606 7.805 131 HB3 GLU 14 1HB GLU 14 5.458 -0.500 6.455 132 HG2 GLU 14 2HG GLU 14 3.862 0.268 7.919 133 HG3 GLU 14 1HG GLU 14 2.917 -0.760 6.847 134 H GLU 15 H GLU 15 2.361 -2.029 5.545 135 HA GLU 15 HA GLU 15 1.173 -3.896 7.354 136 HB2 GLU 15 2HB GLU 15 0.122 -1.729 6.546 137 HB3 GLU 15 1HB GLU 15 -0.137 -2.524 4.998 138 HG2 GLU 15 2HG GLU 15 -2.133 -3.035 5.870 139 HG3 GLU 15 1HG GLU 15 -1.244 -4.333 6.667 140 H ALA 16 H ALA 16 2.142 -3.819 4.022 141 HA ALA 16 HA ALA 16 0.741 -6.111 3.140 142 HB1 ALA 16 1HB ALA 16 2.029 -5.961 1.170 143 HB2 ALA 16 2HB ALA 16 3.302 -5.049 1.981 144 HB3 ALA 16 3HB ALA 16 1.727 -4.308 1.693 145 H ILE 17 H ILE 17 4.095 -5.624 4.277 146 HA ILE 17 HA ILE 17 4.950 -8.266 3.925 147 HB ILE 17 HB ILE 17 6.549 -6.520 4.440 148 HG12 ILE 17 2HG1 ILE 17 7.175 -7.912 6.854 149 HG13 ILE 17 1HG1 ILE 17 6.443 -9.059 5.737 150 HG21 ILE 17 1HG2 ILE 17 5.399 -5.057 5.861 151 HG22 ILE 17 2HG2 ILE 17 6.720 -5.705 6.830 152 HG23 ILE 17 3HG2 ILE 17 5.085 -6.322 7.049 153 HD11 ILE 17 3HD1 ILE 17 8.099 -8.456 4.044 154 HD12 ILE 17 1HD1 ILE 17 8.853 -9.048 5.524 155 HD13 ILE 17 2HD1 ILE 17 8.834 -7.320 5.174 156 H LYS 18 H LYS 18 3.208 -6.684 6.532 157 HA LYS 18 HA LYS 18 3.161 -8.935 8.273 158 HB2 LYS 18 2HB LYS 18 2.386 -7.363 9.666 159 HB3 LYS 18 1HB LYS 18 2.277 -6.230 8.331 160 HG2 LYS 18 2HG LYS 18 0.019 -6.668 7.983 161 HG3 LYS 18 1HG LYS 18 0.081 -8.192 8.871 162 HD2 LYS 18 2HD LYS 18 -0.344 -7.180 10.815 163 HD3 LYS 18 1HD LYS 18 0.875 -5.939 10.517 164 HE2 LYS 18 2HE LYS 18 -0.843 -4.905 8.924 165 HE3 LYS 18 1HE LYS 18 -2.015 -5.969 9.701 166 HZ1 LYS 18 3HZ LYS 18 -0.697 -3.597 10.733 167 HZ2 LYS 18 1HZ LYS 18 -0.863 -4.875 11.829 168 HZ3 LYS 18 2HZ LYS 18 -2.231 -4.221 11.079 169 H GLU 19 H GLU 19 1.268 -7.792 5.596 170 HA GLU 19 HA GLU 19 -0.991 -9.476 5.884 171 HB2 GLU 19 2HB GLU 19 -0.036 -7.507 4.058 172 HB3 GLU 19 1HB GLU 19 -0.457 -8.930 3.123 173 HG2 GLU 19 2HG GLU 19 -2.350 -7.493 3.194 174 HG3 GLU 19 1HG GLU 19 -2.694 -8.900 4.206 175 H LEU 20 H LEU 20 1.962 -9.753 3.922 176 HA LEU 20 HA LEU 20 1.283 -12.355 2.955 177 HG LEU 20 HG LEU 20 2.585 -13.210 1.330 178 HB2 LEU 20 2HB LEU 20 3.009 -10.421 2.133 179 HB3 LEU 20 1HB LEU 20 4.118 -11.544 2.896 180 HD11 LEU 20 1HD1 LEU 20 3.271 -11.118 -0.615 181 HD12 LEU 20 2HD1 LEU 20 1.855 -10.801 0.388 182 HD13 LEU 20 3HD1 LEU 20 1.931 -12.264 -0.594 183 HD21 LEU 20 3HD2 LEU 20 4.645 -13.806 0.771 184 HD22 LEU 20 1HD2 LEU 20 5.270 -12.337 1.522 185 HD23 LEU 20 2HD2 LEU 20 4.832 -12.336 -0.186 186 H VAL 21 H VAL 21 3.253 -11.106 5.598 187 HA VAL 21 HA VAL 21 4.539 -13.527 6.268 188 HB VAL 21 HB VAL 21 3.888 -11.092 7.927 189 HG11 VAL 21 1HG1 VAL 21 5.429 -13.556 8.731 190 HG12 VAL 21 2HG1 VAL 21 3.974 -12.906 9.488 191 HG13 VAL 21 3HG1 VAL 21 5.495 -12.021 9.597 192 HG21 VAL 21 3HG2 VAL 21 6.655 -11.947 7.323 193 HG22 VAL 21 1HG2 VAL 21 5.960 -10.328 7.408 194 HG23 VAL 21 2HG2 VAL 21 5.700 -11.326 5.976 195 H ASP 22 H ASP 22 1.380 -12.241 6.965 196 HA ASP 22 HA ASP 22 0.822 -14.362 8.866 197 HB2 ASP 22 2HB ASP 22 -0.569 -11.872 7.997 198 HB3 ASP 22 1HB ASP 22 -1.559 -13.183 8.630 199 H ALA 23 H ALA 23 0.063 -13.424 5.572 200 HA ALA 23 HA ALA 23 -1.875 -15.521 5.198 201 HB1 ALA 23 1HB ALA 23 -0.614 -13.484 3.403 202 HB2 ALA 23 2HB ALA 23 -2.306 -13.673 3.864 203 HB3 ALA 23 3HB ALA 23 -1.568 -14.809 2.736 204 H GLY 24 H GLY 24 1.526 -15.346 5.149 205 HA2 GLY 24 2HA GLY 24 3.181 -16.758 4.391 206 HA3 GLY 24 1HA GLY 24 2.023 -18.010 4.831 207 H ILE 25 H ILE 25 3.541 -16.298 2.227 208 HA ILE 25 HA ILE 25 2.751 -18.326 0.363 209 HB ILE 25 HB ILE 25 1.837 -16.593 -1.295 210 HG12 ILE 25 2HG1 ILE 25 2.468 -14.657 0.211 211 HG13 ILE 25 1HG1 ILE 25 0.836 -14.609 -0.435 212 HG21 ILE 25 1HG2 ILE 25 0.597 -18.437 -0.026 213 HG22 ILE 25 2HG2 ILE 25 -0.358 -17.135 -0.731 214 HG23 ILE 25 3HG2 ILE 25 -0.014 -17.138 0.997 215 HD11 ILE 25 3HD1 ILE 25 1.768 -14.948 2.347 216 HD12 ILE 25 1HD1 ILE 25 0.313 -15.822 1.872 217 HD13 ILE 25 2HD1 ILE 25 0.379 -14.070 1.708 218 H ALA 26 H ALA 26 3.409 -17.385 -2.007 219 HA ALA 26 HA ALA 26 6.125 -17.381 -2.139 220 HB1 ALA 26 1HB ALA 26 5.813 -16.112 -4.371 221 HB2 ALA 26 2HB ALA 26 4.087 -16.226 -4.008 222 HB3 ALA 26 3HB ALA 26 5.049 -17.693 -4.178 223 H GLU 27 H GLU 27 7.229 -16.114 -0.720 224 HA GLU 27 HA GLU 27 6.820 -13.507 0.012 225 HB2 GLU 27 2HB GLU 27 9.405 -14.996 -0.440 226 HB3 GLU 27 1HB GLU 27 9.367 -13.367 0.219 227 HG2 GLU 27 2HG GLU 27 7.722 -15.501 1.493 228 HG3 GLU 27 1HG GLU 27 9.458 -15.438 1.797 229 H LYS 28 H LYS 28 7.864 -14.722 -3.019 230 HA LYS 28 HA LYS 28 9.229 -12.807 -4.334 231 HB2 LYS 28 2HB LYS 28 8.195 -14.970 -5.220 232 HB3 LYS 28 1HB LYS 28 6.718 -14.054 -5.467 233 HG2 LYS 28 2HG LYS 28 9.370 -13.475 -6.752 234 HG3 LYS 28 1HG LYS 28 8.014 -14.322 -7.497 235 HD2 LYS 28 2HD LYS 28 6.738 -12.108 -6.750 236 HD3 LYS 28 1HD LYS 28 8.362 -11.435 -6.904 237 HE2 LYS 28 2HE LYS 28 7.534 -13.167 -9.123 238 HE3 LYS 28 1HE LYS 28 6.583 -11.694 -8.948 239 HZ1 LYS 28 3HZ LYS 28 9.000 -10.680 -8.712 240 HZ2 LYS 28 1HZ LYS 28 8.254 -10.888 -10.216 241 HZ3 LYS 28 2HZ LYS 28 9.387 -12.019 -9.671 242 H TYR 29 H TYR 29 5.698 -12.783 -3.858 243 HA TYR 29 HA TYR 29 5.303 -10.273 -5.085 244 HD1 TYR 29 2HD TYR 29 3.683 -13.206 -5.825 245 HD2 TYR 29 1HD TYR 29 2.137 -9.298 -5.153 246 HE1 TYR 29 2HE TYR 29 2.519 -13.300 -7.989 247 HE2 TYR 29 1HE TYR 29 0.970 -9.383 -7.316 248 HH TYR 29 HH TYR 29 0.162 -10.978 -8.913 249 HB2 TYR 29 2HB TYR 29 3.673 -12.179 -3.568 250 HB3 TYR 29 1HB TYR 29 3.181 -10.494 -3.372 251 H ILE 30 H ILE 30 6.105 -11.282 -1.851 252 HA ILE 30 HA ILE 30 5.602 -8.880 -0.490 253 HB ILE 30 HB ILE 30 6.576 -11.356 0.236 254 HG12 ILE 30 2HG1 ILE 30 6.594 -8.821 1.881 255 HG13 ILE 30 1HG1 ILE 30 5.186 -9.832 1.580 256 HG21 ILE 30 1HG2 ILE 30 8.719 -11.195 1.163 257 HG22 ILE 30 2HG2 ILE 30 8.754 -9.440 0.999 258 HG23 ILE 30 3HG2 ILE 30 8.875 -10.461 -0.432 259 HD11 ILE 30 3HD1 ILE 30 5.766 -10.648 3.602 260 HD12 ILE 30 1HD1 ILE 30 7.472 -10.250 3.399 261 HD13 ILE 30 2HD1 ILE 30 6.800 -11.678 2.612 262 H LYS 31 H LYS 31 8.087 -9.856 -2.690 263 HA LYS 31 HA LYS 31 9.939 -7.788 -1.993 264 HB2 LYS 31 2HB LYS 31 10.780 -9.820 -3.010 265 HB3 LYS 31 1HB LYS 31 9.772 -9.577 -4.427 266 HG2 LYS 31 2HG LYS 31 11.157 -7.263 -4.439 267 HG3 LYS 31 1HG LYS 31 12.341 -8.342 -3.693 268 HD2 LYS 31 2HD LYS 31 12.706 -9.455 -5.607 269 HD3 LYS 31 1HD LYS 31 10.991 -9.495 -6.019 270 HE2 LYS 31 2HE LYS 31 12.315 -6.863 -6.197 271 HE3 LYS 31 1HE LYS 31 12.821 -8.067 -7.380 272 HZ1 LYS 31 3HZ LYS 31 9.954 -7.766 -6.969 273 HZ2 LYS 31 1HZ LYS 31 10.820 -8.040 -8.396 274 HZ3 LYS 31 2HZ LYS 31 10.738 -6.484 -7.743 275 H LEU 32 H LEU 32 7.365 -8.184 -4.409 276 HA LEU 32 HA LEU 32 7.963 -5.890 -5.921 277 HG LEU 32 HG LEU 32 5.703 -8.631 -5.221 278 HB2 LEU 32 2HB LEU 32 5.087 -6.312 -5.620 279 HB3 LEU 32 1HB LEU 32 6.080 -6.293 -7.071 280 HD11 LEU 32 1HD1 LEU 32 4.755 -8.325 -8.054 281 HD12 LEU 32 2HD1 LEU 32 3.748 -7.966 -6.651 282 HD13 LEU 32 3HD1 LEU 32 4.356 -9.602 -6.906 283 HD21 LEU 32 3HD2 LEU 32 7.110 -9.884 -6.578 284 HD22 LEU 32 1HD2 LEU 32 7.945 -8.333 -6.479 285 HD23 LEU 32 2HD2 LEU 32 7.002 -8.739 -7.913 286 H ILE 33 H ILE 33 6.323 -6.331 -2.891 287 HA ILE 33 HA ILE 33 5.548 -3.525 -2.742 288 HB ILE 33 HB ILE 33 4.773 -4.261 -0.392 289 HG12 ILE 33 2HG1 ILE 33 5.061 -6.949 -1.745 290 HG13 ILE 33 1HG1 ILE 33 5.972 -6.390 -0.347 291 HG21 ILE 33 1HG2 ILE 33 2.814 -4.063 -1.378 292 HG22 ILE 33 2HG2 ILE 33 2.956 -5.693 -2.036 293 HG23 ILE 33 3HG2 ILE 33 3.572 -4.316 -2.950 294 HD11 ILE 33 3HD1 ILE 33 3.983 -7.950 0.015 295 HD12 ILE 33 1HD1 ILE 33 3.003 -6.516 -0.285 296 HD13 ILE 33 2HD1 ILE 33 4.156 -6.534 1.050 297 H ALA 34 H ALA 34 7.610 -5.841 -1.027 298 HA ALA 34 HA ALA 34 8.591 -4.116 0.925 299 HB1 ALA 34 1HB ALA 34 10.029 -6.435 -0.366 300 HB2 ALA 34 2HB ALA 34 8.902 -6.547 0.988 301 HB3 ALA 34 3HB ALA 34 10.431 -5.690 1.182 302 H ASN 35 H ASN 35 9.403 -4.479 -2.437 303 HA ASN 35 HA ASN 35 11.798 -2.856 -2.210 304 HB2 ASN 35 2HB ASN 35 11.953 -4.679 -3.746 305 HB3 ASN 35 1HB ASN 35 10.449 -4.220 -4.545 306 HD21 ASN 35 1HD2 ASN 35 13.701 -3.016 -3.831 307 HD22 ASN 35 2HD2 ASN 35 13.898 -2.155 -5.315 308 H ALA 36 H ALA 36 8.477 -2.332 -2.599 309 HA ALA 36 HA ALA 36 7.227 -0.479 -3.046 310 HB1 ALA 36 1HB ALA 36 8.922 0.481 -1.452 311 HB2 ALA 36 2HB ALA 36 8.170 1.643 -2.543 312 HB3 ALA 36 3HB ALA 36 9.806 1.070 -2.861 313 H LYS 37 H LYS 37 8.607 1.919 -4.453 314 HA LYS 37 HA LYS 37 9.345 2.512 -6.580 315 HB2 LYS 37 2HB LYS 37 9.941 0.023 -6.943 316 HB3 LYS 37 1HB LYS 37 8.353 -0.099 -7.705 317 HG2 LYS 37 2HG LYS 37 9.047 0.907 -9.572 318 HG3 LYS 37 1HG LYS 37 9.938 2.146 -8.685 319 HD2 LYS 37 2HD LYS 37 11.232 -0.412 -8.410 320 HD3 LYS 37 1HD LYS 37 10.989 -0.028 -10.115 321 HE2 LYS 37 2HE LYS 37 13.125 0.828 -9.414 322 HE3 LYS 37 1HE LYS 37 12.035 2.180 -9.722 323 HZ1 LYS 37 3HZ LYS 37 11.597 1.859 -7.149 324 HZ2 LYS 37 1HZ LYS 37 12.860 2.822 -7.730 325 HZ3 LYS 37 2HZ LYS 37 13.172 1.247 -7.203 326 H THR 38 H THR 38 6.332 0.997 -5.779 327 HA THR 38 HA THR 38 4.935 3.057 -7.297 328 HB THR 38 HB THR 38 3.259 1.011 -7.800 329 HG1 THR 38 1HG THR 38 5.840 -0.130 -8.047 330 HG21 THR 38 3HG2 THR 38 3.949 1.016 -10.035 331 HG22 THR 38 1HG2 THR 38 5.609 1.437 -9.610 332 HG23 THR 38 2HG2 THR 38 4.322 2.631 -9.431 333 H VAL 39 H VAL 39 4.586 3.931 -5.192 334 HA VAL 39 HA VAL 39 3.608 2.812 -2.924 335 HB VAL 39 HB VAL 39 4.042 5.211 -3.129 336 HG11 VAL 39 1HG1 VAL 39 1.355 5.562 -4.404 337 HG12 VAL 39 2HG1 VAL 39 2.809 5.337 -5.377 338 HG13 VAL 39 3HG1 VAL 39 2.688 6.709 -4.277 339 HG21 VAL 39 3HG2 VAL 39 1.226 5.267 -2.264 340 HG22 VAL 39 1HG2 VAL 39 2.691 5.737 -1.401 341 HG23 VAL 39 2HG2 VAL 39 2.236 4.037 -1.502 342 H GLU 40 H GLU 40 1.590 3.776 -5.702 343 HA GLU 40 HA GLU 40 -0.862 2.961 -4.587 344 HB2 GLU 40 2HB GLU 40 0.085 3.904 -7.155 345 HB3 GLU 40 1HB GLU 40 -1.072 2.596 -7.367 346 HG2 GLU 40 2HG GLU 40 -2.795 3.860 -6.739 347 HG3 GLU 40 1HG GLU 40 -1.904 4.579 -5.398 348 H GLY 41 H GLY 41 1.520 1.269 -6.591 349 HA2 GLY 41 2HA GLY 41 0.041 -1.141 -6.830 350 HA3 GLY 41 1HA GLY 41 1.774 -0.967 -7.066 351 H VAL 42 H VAL 42 2.614 -0.136 -4.574 352 HA VAL 42 HA VAL 42 3.018 -2.437 -3.145 353 HB VAL 42 HB VAL 42 2.669 0.227 -1.773 354 HG11 VAL 42 1HG1 VAL 42 4.943 -1.422 -1.047 355 HG12 VAL 42 2HG1 VAL 42 3.408 -2.266 -0.826 356 HG13 VAL 42 3HG1 VAL 42 3.685 -0.718 -0.029 357 HG21 VAL 42 3HG2 VAL 42 5.287 0.213 -2.330 358 HG22 VAL 42 1HG2 VAL 42 4.090 0.982 -3.373 359 HG23 VAL 42 2HG2 VAL 42 4.690 -0.630 -3.759 360 H TRP 43 H TRP 43 0.357 -0.135 -2.821 361 HA TRP 43 HA TRP 43 -0.894 -1.572 -0.674 362 HD1 TRP 43 HD TRP 43 -1.777 0.334 1.399 363 HE1 TRP 43 1HE TRP 43 -4.101 0.197 2.497 364 HE3 TRP 43 3HE TRP 43 -4.641 -0.120 -2.812 365 HZ2 TRP 43 2HZ TRP 43 -6.791 -0.068 1.686 366 HZ3 TRP 43 3HZ TRP 43 -7.081 -0.311 -2.564 367 HH2 TRP 43 HH TRP 43 -8.133 -0.285 -0.361 368 HB2 TRP 43 2HB TRP 43 -1.099 0.941 -1.197 369 HB3 TRP 43 1HB TRP 43 -2.261 0.460 -2.429 370 H THR 44 H THR 44 -1.111 -1.554 -4.173 371 HA THR 44 HA THR 44 -3.558 -3.096 -4.193 372 HB THR 44 HB THR 44 -1.768 -2.776 -6.582 373 HG1 THR 44 1HG THR 44 -3.409 -0.792 -5.407 374 HG21 THR 44 3HG2 THR 44 -3.784 -4.070 -6.911 375 HG22 THR 44 1HG2 THR 44 -3.881 -2.539 -7.780 376 HG23 THR 44 2HG2 THR 44 -4.758 -2.749 -6.264 377 H LEU 45 H LEU 45 -0.199 -3.727 -5.193 378 HA LEU 45 HA LEU 45 -0.444 -6.416 -5.811 379 HB2 LEU 45 2HB LEU 45 1.825 -4.763 -4.753 380 HB3 LEU 45 1HB LEU 45 2.018 -6.494 -4.956 381 HD11 LEU 45 1HD1 LEU 45 1.982 -6.801 -8.406 382 HD12 LEU 45 2HD1 LEU 45 0.348 -6.214 -8.095 383 HD13 LEU 45 3HD1 LEU 45 1.079 -7.401 -7.015 384 HD21 LEU 45 3HD2 LEU 45 0.261 -4.010 -7.128 385 HD22 LEU 45 1HD2 LEU 45 1.562 -3.948 -8.317 386 HD23 LEU 45 2HD2 LEU 45 1.809 -3.276 -6.705 387 H LYS 46 H LYS 46 -0.207 -4.794 -2.747 388 HA LYS 46 HA LYS 46 0.268 -7.092 -1.144 389 HB2 LYS 46 2HB LYS 46 0.844 -5.131 -0.063 390 HB3 LYS 46 1HB LYS 46 -0.526 -4.247 -0.704 391 HG2 LYS 46 2HG LYS 46 -1.362 -6.352 1.099 392 HG3 LYS 46 1HG LYS 46 -0.240 -5.229 1.860 393 HD2 LYS 46 2HD LYS 46 -1.645 -3.352 1.194 394 HD3 LYS 46 1HD LYS 46 -2.763 -4.462 0.399 395 HE2 LYS 46 2HE LYS 46 -3.737 -3.996 2.486 396 HE3 LYS 46 1HE LYS 46 -3.009 -5.591 2.663 397 HZ1 LYS 46 3HZ LYS 46 -2.147 -3.021 3.807 398 HZ2 LYS 46 1HZ LYS 46 -1.002 -4.238 3.540 399 HZ3 LYS 46 2HZ LYS 46 -2.319 -4.526 4.561 400 H ASP 47 H ASP 47 -2.653 -5.083 -1.523 401 HA ASP 47 HA ASP 47 -4.410 -6.821 -0.217 402 HB2 ASP 47 2HB ASP 47 -4.667 -4.505 -2.032 403 HB3 ASP 47 1HB ASP 47 -6.053 -5.593 -2.006 404 H GLU 48 H GLU 48 -3.212 -6.770 -3.492 405 HA GLU 48 HA GLU 48 -5.085 -8.677 -4.515 406 HB2 GLU 48 2HB GLU 48 -3.559 -6.899 -5.746 407 HB3 GLU 48 1HB GLU 48 -2.423 -8.240 -5.793 408 HG2 GLU 48 2HG GLU 48 -4.226 -9.608 -6.863 409 HG3 GLU 48 1HG GLU 48 -5.181 -8.130 -6.984 410 H ILE 49 H ILE 49 -1.591 -8.858 -3.741 411 HA ILE 49 HA ILE 49 -1.336 -11.589 -4.193 412 HB ILE 49 HB ILE 49 0.629 -10.157 -3.895 413 HG12 ILE 49 2HG1 ILE 49 1.952 -11.787 -2.622 414 HG13 ILE 49 1HG1 ILE 49 0.482 -12.435 -1.911 415 HG21 ILE 49 1HG2 ILE 49 -0.443 -8.989 -1.843 416 HG22 ILE 49 2HG2 ILE 49 1.306 -9.201 -1.924 417 HG23 ILE 49 3HG2 ILE 49 0.327 -10.288 -0.935 418 HD11 ILE 49 3HD1 ILE 49 0.957 -12.435 -4.869 419 HD12 ILE 49 1HD1 ILE 49 -0.226 -13.359 -3.949 420 HD13 ILE 49 2HD1 ILE 49 1.491 -13.744 -3.816 421 H LEU 50 H LEU 50 -2.814 -9.932 -1.548 422 HA LEU 50 HA LEU 50 -2.683 -12.199 0.231 423 HG LEU 50 HG LEU 50 -4.186 -11.935 2.259 424 HB2 LEU 50 2HB LEU 50 -2.975 -9.635 0.779 425 HB3 LEU 50 1HB LEU 50 -4.680 -9.998 0.564 426 HD11 LEU 50 1HD1 LEU 50 -2.493 -10.840 3.948 427 HD12 LEU 50 2HD1 LEU 50 -1.826 -10.149 2.470 428 HD13 LEU 50 3HD1 LEU 50 -1.938 -11.899 2.651 429 HD21 LEU 50 3HD2 LEU 50 -4.794 -10.446 4.091 430 HD22 LEU 50 1HD2 LEU 50 -5.721 -10.067 2.639 431 HD23 LEU 50 2HD2 LEU 50 -4.362 -9.046 3.110 432 H THR 51 H THR 51 -4.907 -10.821 -2.090 433 HA THR 51 HA THR 51 -7.162 -12.401 -1.457 434 HB THR 51 HB THR 51 -6.323 -10.914 -3.938 435 HG1 THR 51 1HG THR 51 -6.972 -9.616 -2.244 436 HG21 THR 51 3HG2 THR 51 -8.927 -12.351 -3.489 437 HG22 THR 51 1HG2 THR 51 -7.740 -12.674 -4.753 438 HG23 THR 51 2HG2 THR 51 -8.632 -11.153 -4.749 439 H PHE 52 H PHE 52 -4.211 -13.225 -3.056 440 HA PHE 52 HA PHE 52 -5.433 -15.447 -4.459 441 HD1 PHE 52 2HD PHE 52 -2.287 -14.708 -2.409 442 HD2 PHE 52 1HD PHE 52 -1.483 -16.198 -6.310 443 HE1 PHE 52 2HE PHE 52 -0.059 -15.441 -1.662 444 HE2 PHE 52 1HE PHE 52 0.742 -16.943 -5.571 445 HZ PHE 52 HZ PHE 52 1.456 -16.564 -3.246 446 HB2 PHE 52 2HB PHE 52 -3.611 -15.453 -5.798 447 HB3 PHE 52 1HB PHE 52 -3.312 -13.872 -5.098 448 H THR 53 H THR 53 -5.668 -15.446 -1.675 449 HA THR 53 HA THR 53 -5.168 -18.091 -1.040 450 HB THR 53 HB THR 53 -3.001 -16.199 -0.133 451 HG1 THR 53 1HG THR 53 -2.902 -18.896 -0.993 452 HG21 THR 53 3HG2 THR 53 -3.463 -17.039 1.963 453 HG22 THR 53 1HG2 THR 53 -2.280 -18.191 1.343 454 HG23 THR 53 2HG2 THR 53 -3.995 -18.600 1.337 455 H VAL 54 H VAL 54 -4.702 -15.092 0.822 456 HA VAL 54 HA VAL 54 -5.791 -14.229 2.599 457 HB VAL 54 HB VAL 54 -8.129 -15.432 1.128 458 HG11 VAL 54 1HG1 VAL 54 -9.257 -13.475 2.568 459 HG12 VAL 54 2HG1 VAL 54 -8.015 -13.989 3.706 460 HG13 VAL 54 3HG1 VAL 54 -9.199 -15.153 3.111 461 HG21 VAL 54 3HG2 VAL 54 -7.141 -13.769 -0.186 462 HG22 VAL 54 1HG2 VAL 54 -6.869 -12.711 1.199 463 HG23 VAL 54 2HG2 VAL 54 -8.504 -12.978 0.599 464 H THR 55 H THR 55 -4.893 -15.400 4.275 465 HA THR 55 HA THR 55 -6.509 -17.655 5.259 466 HB THR 55 HB THR 55 -3.526 -17.280 5.552 467 HG1 THR 55 1HG THR 55 -4.419 -17.979 3.450 468 HG21 THR 55 3HG2 THR 55 -3.469 -19.492 6.491 469 HG22 THR 55 1HG2 THR 55 -5.219 -19.633 6.348 470 HG23 THR 55 2HG2 THR 55 -4.519 -18.460 7.463 471 H GLU 56 H GLU 56 -7.695 -15.902 6.356 472 HA GLU 56 HA GLU 56 -6.385 -14.415 8.428 473 HB2 GLU 56 2HB GLU 56 -8.896 -14.340 7.110 474 HB3 GLU 56 1HB GLU 56 -9.221 -14.534 8.827 475 HG2 GLU 56 2HG GLU 56 -7.286 -12.463 7.893 476 HG3 GLU 56 1HG GLU 56 -9.019 -12.163 7.814
Contact the webmaster for help, if required. Thursday, May 16, 2024 4:58:14 PM GMT (wattos1)