NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
612833 | 2ncs | 26034 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H LYS 1 -10.940 -18.419 16.728 2 HA LYS 1 HA LYS 1 -11.327 -18.665 13.825 3 HB2 LYS 1 1HB LYS 1 -9.213 -16.892 15.041 4 HB3 LYS 1 2HB LYS 1 -9.702 -16.991 13.355 5 HG2 LYS 1 1HG LYS 1 -10.833 -15.118 13.875 6 HG3 LYS 1 2HG LYS 1 -12.039 -16.270 14.453 7 HD2 LYS 1 1HD LYS 1 -10.427 -16.040 16.633 8 HD3 LYS 1 2HD LYS 1 -10.321 -14.416 15.951 9 HE2 LYS 1 1HE LYS 1 -12.942 -15.820 16.405 10 HE3 LYS 1 2HE LYS 1 -12.171 -14.827 17.641 11 HZ1 LYS 1 3HZ LYS 1 -13.545 -13.326 16.613 12 HZ2 LYS 1 1HZ LYS 1 -13.355 -14.011 15.078 13 HZ3 LYS 1 2HZ LYS 1 -12.113 -13.078 15.748 14 H LYS 2 H LYS 2 -9.339 -19.383 12.690 15 HA LYS 2 HA LYS 2 -7.451 -20.847 14.379 16 HB2 LYS 2 1HB LYS 2 -9.517 -22.232 13.455 17 HB3 LYS 2 2HB LYS 2 -8.539 -22.271 11.994 18 HG2 LYS 2 1HG LYS 2 -7.618 -24.093 12.886 19 HG3 LYS 2 2HG LYS 2 -6.723 -22.967 13.909 20 HD2 LYS 2 1HD LYS 2 -9.445 -23.873 14.742 21 HD3 LYS 2 2HD LYS 2 -8.061 -24.943 14.979 22 HE2 LYS 2 1HE LYS 2 -8.202 -22.099 15.969 23 HE3 LYS 2 2HE LYS 2 -8.602 -23.510 16.948 24 HZ1 LYS 2 3HZ LYS 2 -6.409 -23.118 17.483 25 HZ2 LYS 2 1HZ LYS 2 -5.980 -22.660 15.912 26 HZ3 LYS 2 2HZ LYS 2 -6.257 -24.289 16.272 27 H LYS 3 H LYS 3 -5.412 -20.886 13.596 28 HA LYS 3 HA LYS 3 -4.660 -19.132 11.542 29 HB2 LYS 3 1HB LYS 3 -3.354 -20.841 13.442 30 HB3 LYS 3 2HB LYS 3 -2.594 -21.039 11.869 31 HG2 LYS 3 1HG LYS 3 -1.758 -18.936 11.852 32 HG3 LYS 3 2HG LYS 3 -3.117 -18.268 12.758 33 HD2 LYS 3 1HD LYS 3 -2.177 -19.602 14.747 34 HD3 LYS 3 2HD LYS 3 -0.703 -19.728 13.784 35 HE2 LYS 3 1HE LYS 3 -0.323 -17.435 13.842 36 HE3 LYS 3 2HE LYS 3 -2.001 -17.068 14.238 37 HZ1 LYS 3 3HZ LYS 3 -0.058 -18.380 16.062 38 HZ2 LYS 3 1HZ LYS 3 -1.659 -17.981 16.437 39 HZ3 LYS 3 2HZ LYS 3 -0.531 -16.758 16.138 40 H LYS 4 H LYS 4 -3.017 -20.066 9.785 41 HA LYS 4 HA LYS 4 -2.850 -21.061 7.746 42 HB2 LYS 4 1HB LYS 4 -4.227 -23.431 9.005 43 HB3 LYS 4 2HB LYS 4 -3.104 -23.434 7.651 44 HG2 LYS 4 1HG LYS 4 -1.388 -22.517 9.308 45 HG3 LYS 4 2HG LYS 4 -2.529 -23.009 10.561 46 HD2 LYS 4 1HD LYS 4 -1.858 -25.124 10.401 47 HD3 LYS 4 2HD LYS 4 -2.192 -25.137 8.667 48 HE2 LYS 4 1HE LYS 4 -0.030 -24.778 8.116 49 HE3 LYS 4 2HE LYS 4 0.256 -23.718 9.495 50 HZ1 LYS 4 3HZ LYS 4 -0.206 -26.445 10.254 51 HZ2 LYS 4 1HZ LYS 4 1.049 -25.400 10.695 52 HZ3 LYS 4 2HZ LYS 4 1.143 -26.271 9.249 53 H ASP 5 H ASP 5 -4.343 -19.618 6.779 54 HA ASP 5 HA ASP 5 -6.526 -20.907 5.496 55 HB2 ASP 5 1HB ASP 5 -7.070 -19.243 7.885 56 HB3 ASP 5 2HB ASP 5 -8.095 -18.943 6.484 57 H LYS 6 H LYS 6 -7.514 -19.585 3.867 58 HA LYS 6 HA LYS 6 -5.745 -17.907 2.520 59 HB2 LYS 6 1HB LYS 6 -7.767 -17.238 1.172 60 HB3 LYS 6 2HB LYS 6 -7.480 -18.970 1.283 61 HG2 LYS 6 1HG LYS 6 -9.547 -19.244 2.013 62 HG3 LYS 6 2HG LYS 6 -9.161 -18.278 3.439 63 HD2 LYS 6 1HD LYS 6 -11.093 -17.352 2.297 64 HD3 LYS 6 2HD LYS 6 -9.729 -16.237 2.185 65 HE2 LYS 6 1HE LYS 6 -11.011 -16.512 0.062 66 HE3 LYS 6 2HE LYS 6 -9.294 -16.890 -0.073 67 HZ1 LYS 6 3HZ LYS 6 -10.987 -18.481 -1.121 68 HZ2 LYS 6 1HZ LYS 6 -11.262 -19.021 0.459 69 HZ3 LYS 6 2HZ LYS 6 -9.718 -19.146 -0.220 70 H TRP 7 H TRP 7 -8.321 -17.158 4.796 71 HA TRP 7 HA TRP 7 -8.188 -14.328 4.400 72 HB2 TRP 7 2HB TRP 7 -9.392 -15.965 6.641 73 HB3 TRP 7 3HB TRP 7 -9.597 -14.226 6.449 74 HD1 TRP 7 1HD TRP 7 -11.577 -17.100 5.968 75 HE1 TRP 7 1HE TRP 7 -13.272 -16.855 4.047 76 HE3 TRP 7 3HE TRP 7 -9.514 -13.082 3.572 77 HZ2 TRP 7 2HZ TRP 7 -13.680 -15.182 1.811 78 HZ3 TRP 7 3HZ TRP 7 -10.619 -12.221 1.549 79 HH2 TRP 7 2HH TRP 7 -12.658 -13.251 0.688 80 H ALA 8 H ALA 8 -6.757 -16.615 6.663 81 HA ALA 8 HA ALA 8 -5.704 -14.804 8.514 82 HB1 ALA 8 3HB ALA 8 -4.928 -17.568 7.670 83 HB2 ALA 8 1HB ALA 8 -3.942 -16.672 8.826 84 HB3 ALA 8 2HB ALA 8 -5.632 -17.019 9.191 85 H SER 9 H SER 9 -4.416 -15.975 5.441 86 HA SER 9 HA SER 9 -1.874 -14.723 5.718 87 HB2 SER 9 1HB SER 9 -2.433 -16.670 4.187 88 HB3 SER 9 2HB SER 9 -3.207 -15.499 3.120 89 HG SER 9 HG SER 9 -0.519 -15.936 3.632 90 H LEU 10 H LEU 10 -4.979 -13.726 4.474 91 HA LEU 10 HA LEU 10 -4.285 -11.551 2.910 92 HB2 LEU 10 1HB LEU 10 -6.586 -12.573 3.389 93 HB3 LEU 10 2HB LEU 10 -6.625 -11.502 4.787 94 HG LEU 10 HG LEU 10 -6.204 -10.441 2.010 95 HD11 LEU 10 1HD1 LEU 10 -8.369 -11.886 2.451 96 HD12 LEU 10 2HD1 LEU 10 -8.435 -10.374 1.546 97 HD13 LEU 10 3HD1 LEU 10 -8.905 -10.405 3.245 98 HD21 LEU 10 3HD2 LEU 10 -7.699 -8.740 3.697 99 HD22 LEU 10 1HD2 LEU 10 -6.055 -8.515 3.098 100 HD23 LEU 10 2HD2 LEU 10 -6.329 -9.334 4.636 101 H TRP 11 H TRP 11 -4.260 -11.891 6.375 102 HA TRP 11 HA TRP 11 -4.079 -9.096 6.954 103 HB2 TRP 11 2HB TRP 11 -3.094 -11.262 8.791 104 HB3 TRP 11 3HB TRP 11 -3.838 -9.719 9.200 105 HD1 TRP 11 1HD TRP 11 -4.754 -12.901 9.925 106 HE1 TRP 11 1HE TRP 11 -7.255 -13.431 9.622 107 HE3 TRP 11 3HE TRP 11 -6.037 -9.029 6.843 108 HZ2 TRP 11 2HZ TRP 11 -9.477 -12.351 8.257 109 HZ3 TRP 11 3HZ TRP 11 -8.371 -8.849 6.083 110 HH2 TRP 11 2HH TRP 11 -10.053 -10.477 6.776 111 H ASN 12 H ASN 12 -1.795 -11.663 6.296 112 HA ASN 12 HA ASN 12 0.488 -10.041 7.047 113 HB2 ASN 12 1HB ASN 12 0.683 -12.631 5.541 114 HB3 ASN 12 2HB ASN 12 1.796 -11.950 6.724 115 HD21 ASN 12 2HD2 ASN 12 0.109 -11.341 8.785 116 HD22 ASN 12 1HD2 ASN 12 -0.569 -12.794 9.430 117 H TRP 13 H TRP 13 -1.346 -10.779 4.219 118 HA TRP 13 HA TRP 13 0.718 -9.920 2.378 119 HB2 TRP 13 2HB TRP 13 -0.723 -11.658 1.586 120 HB3 TRP 13 3HB TRP 13 -2.165 -10.735 1.999 121 HD1 TRP 13 1HD TRP 13 0.921 -10.009 -0.265 122 HE1 TRP 13 1HE TRP 13 0.049 -9.047 -2.487 123 HE3 TRP 13 3HE TRP 13 -4.095 -10.111 0.718 124 HZ2 TRP 13 2HZ TRP 13 -2.435 -8.414 -3.667 125 HZ3 TRP 13 3HZ TRP 13 -5.652 -9.309 -1.011 126 HH2 TRP 13 2HH TRP 13 -4.837 -8.478 -3.157 127 H PHE 14 H PHE 14 -2.565 -8.780 3.193 128 HA PHE 14 HA PHE 14 -2.466 -6.382 1.789 129 HB2 PHE 14 2HB PHE 14 -4.549 -7.250 2.694 130 HB3 PHE 14 3HB PHE 14 -3.956 -7.039 4.338 131 HD1 PHE 14 1HD PHE 14 -5.248 -5.350 1.364 132 HD2 PHE 14 2HD PHE 14 -3.880 -4.860 5.364 133 HE1 PHE 14 1HE PHE 14 -6.192 -3.078 1.405 134 HE2 PHE 14 2HE PHE 14 -4.822 -2.588 5.413 135 HZ PHE 14 HZ PHE 14 -5.981 -1.695 3.432 136 H ASP 15 H ASP 15 -1.026 -7.268 4.811 137 HA ASP 15 HA ASP 15 -0.671 -4.805 6.036 138 HB2 ASP 15 1HB ASP 15 0.192 -7.397 6.495 139 HB3 ASP 15 2HB ASP 15 1.691 -6.508 6.240 140 H ILE 16 H ILE 16 1.021 -6.225 3.323 141 HA ILE 16 HA ILE 16 3.142 -4.296 3.300 142 HB ILE 16 HB ILE 16 2.247 -6.128 1.073 143 HG12 ILE 16 1HG1 ILE 16 4.433 -6.568 3.115 144 HG13 ILE 16 2HG1 ILE 16 2.835 -7.299 3.208 145 HG21 ILE 16 1HG2 ILE 16 4.495 -5.816 0.196 146 HG22 ILE 16 2HG2 ILE 16 3.663 -4.268 0.342 147 HG23 ILE 16 3HG2 ILE 16 4.879 -4.731 1.532 148 HD11 ILE 16 3HD1 ILE 16 3.346 -8.255 0.894 149 HD12 ILE 16 1HD1 ILE 16 5.020 -7.814 1.231 150 HD13 ILE 16 2HD1 ILE 16 4.180 -8.953 2.283 151 H THR 17 H THR 17 -0.046 -4.524 1.938 152 HA THR 17 HA THR 17 0.381 -2.361 0.059 153 HB THR 17 HB THR 17 -1.874 -2.675 -0.640 154 HG1 THR 17 1HG THR 17 -3.308 -4.009 0.577 155 HG21 THR 17 3HG2 THR 17 -0.031 -4.778 -0.579 156 HG22 THR 17 1HG2 THR 17 -1.415 -4.606 -1.658 157 HG23 THR 17 2HG2 THR 17 -1.580 -5.503 -0.148 158 H ASN 18 H ASN 18 -0.512 -2.708 3.332 159 HA ASN 18 HA ASN 18 -2.295 -0.654 3.787 160 HB2 ASN 18 1HB ASN 18 -1.360 -2.316 5.468 161 HB3 ASN 18 2HB ASN 18 0.039 -1.255 5.605 162 HD21 ASN 18 2HD2 ASN 18 -2.711 -2.058 7.074 163 HD22 ASN 18 1HD2 ASN 18 -3.106 -0.566 7.851 164 H TRP 19 H TRP 19 1.261 -0.420 3.934 165 HA TRP 19 HA TRP 19 1.138 2.466 4.004 166 HB2 TRP 19 2HB TRP 19 3.467 2.421 4.363 167 HB3 TRP 19 3HB TRP 19 2.861 0.997 5.204 168 HD1 TRP 19 1HD TRP 19 2.886 -1.288 3.328 169 HE1 TRP 19 1HE TRP 19 4.960 -2.067 2.017 170 HE3 TRP 19 3HE TRP 19 5.618 3.030 3.491 171 HZ2 TRP 19 2HZ TRP 19 7.428 -0.993 1.166 172 HZ3 TRP 19 3HZ TRP 19 7.825 3.071 2.405 173 HH2 TRP 19 2HH TRP 19 8.710 1.100 1.267 174 H LEU 20 H LEU 20 1.705 -0.044 1.651 175 HA LEU 20 HA LEU 20 2.992 1.388 -0.355 176 HB2 LEU 20 1HB LEU 20 2.443 -1.099 -0.238 177 HB3 LEU 20 2HB LEU 20 0.862 -0.664 -0.884 178 HG LEU 20 HG LEU 20 2.037 0.310 -2.870 179 HD11 LEU 20 1HD1 LEU 20 4.222 0.677 -2.644 180 HD12 LEU 20 2HD1 LEU 20 4.428 -1.057 -2.890 181 HD13 LEU 20 3HD1 LEU 20 4.344 -0.403 -1.254 182 HD21 LEU 20 3HD2 LEU 20 1.164 -1.698 -3.458 183 HD22 LEU 20 1HD2 LEU 20 1.952 -2.555 -2.134 184 HD23 LEU 20 2HD2 LEU 20 2.872 -2.127 -3.577 185 H TRP 21 H TRP 21 -0.278 1.551 0.751 186 HA TRP 21 HA TRP 21 -1.544 2.597 -1.515 187 HB2 TRP 21 2HB TRP 21 -2.741 1.822 0.504 188 HB3 TRP 21 3HB TRP 21 -2.128 3.216 1.389 189 HD1 TRP 21 1HD TRP 21 -4.908 2.149 -0.889 190 HE1 TRP 21 1HE TRP 21 -6.467 4.143 -1.352 191 HE3 TRP 21 3HE TRP 21 -2.028 5.898 1.056 192 HZ2 TRP 21 2HZ TRP 21 -6.475 6.937 -0.948 193 HZ3 TRP 21 3HZ TRP 21 -2.884 8.204 0.978 194 HH2 TRP 21 2HH TRP 21 -5.061 8.711 -0.005 195 H TYR 22 H TYR 22 0.299 4.181 1.046 196 HA TYR 22 HA TYR 22 -0.245 6.836 0.212 197 HB2 TYR 22 2HB TYR 22 1.044 5.644 2.368 198 HB3 TYR 22 3HB TYR 22 2.330 6.504 1.530 199 HD1 TYR 22 2HD TYR 22 0.778 8.836 0.488 200 HD2 TYR 22 1HD TYR 22 0.739 6.941 4.298 201 HE1 TYR 22 2HE TYR 22 0.045 10.944 1.523 202 HE2 TYR 22 1HE TYR 22 0.005 9.043 5.343 203 HH TYR 22 HH TYR 22 0.137 12.014 3.784 204 H ILE 23 H ILE 23 2.307 4.525 -0.544 205 HA ILE 23 HA ILE 23 4.126 6.134 -1.844 206 HB ILE 23 HB ILE 23 3.310 3.284 -2.268 207 HG12 ILE 23 1HG1 ILE 23 5.695 2.935 -1.564 208 HG13 ILE 23 2HG1 ILE 23 5.826 4.674 -1.329 209 HG21 ILE 23 1HG2 ILE 23 5.035 4.948 -4.045 210 HG22 ILE 23 2HG2 ILE 23 5.426 3.248 -3.793 211 HG23 ILE 23 3HG2 ILE 23 3.860 3.701 -4.465 212 HD11 ILE 23 3HD1 ILE 23 4.553 4.652 0.557 213 HD12 ILE 23 1HD1 ILE 23 3.634 3.232 0.056 214 HD13 ILE 23 2HD1 ILE 23 5.282 3.050 0.660 215 H LYS 24 H LYS 24 1.336 4.463 -3.301 216 HA LYS 24 HA LYS 24 1.629 5.352 -5.906 217 HB2 LYS 24 1HB LYS 24 -0.434 4.116 -4.326 218 HB3 LYS 24 2HB LYS 24 -1.143 5.332 -5.380 219 HG2 LYS 24 1HG LYS 24 -1.161 3.187 -6.473 220 HG3 LYS 24 2HG LYS 24 -0.048 4.272 -7.309 221 HD2 LYS 24 1HD LYS 24 1.090 2.219 -7.164 222 HD3 LYS 24 2HD LYS 24 1.789 3.221 -5.890 223 HE2 LYS 24 1HE LYS 24 0.631 2.072 -4.203 224 HE3 LYS 24 2HE LYS 24 -0.492 1.344 -5.351 225 HZ1 LYS 24 3HZ LYS 24 2.301 0.613 -4.778 226 HZ2 LYS 24 1HZ LYS 24 1.629 0.247 -6.287 227 HZ3 LYS 24 2HZ LYS 24 0.935 -0.380 -4.878 228 H LEU 25 H LEU 25 0.367 7.026 -3.109 229 HA LEU 25 HA LEU 25 -0.743 9.212 -4.604 230 HB2 LEU 25 1HB LEU 25 -0.396 8.509 -1.751 231 HB3 LEU 25 2HB LEU 25 -0.523 10.224 -2.135 232 HG LEU 25 HG LEU 25 -2.673 9.193 -1.472 233 HD11 LEU 25 1HD1 LEU 25 -2.615 11.180 -2.896 234 HD12 LEU 25 2HD1 LEU 25 -3.987 10.145 -3.285 235 HD13 LEU 25 3HD1 LEU 25 -2.566 10.153 -4.329 236 HD21 LEU 25 3HD2 LEU 25 -2.009 6.999 -2.717 237 HD22 LEU 25 1HD2 LEU 25 -2.754 7.790 -4.107 238 HD23 LEU 25 2HD2 LEU 25 -3.700 7.498 -2.647 239 H PHE 26 H PHE 26 2.328 8.440 -3.166 240 HA PHE 26 HA PHE 26 3.368 11.095 -3.146 241 HB2 PHE 26 2HB PHE 26 4.394 9.511 -1.687 242 HB3 PHE 26 3HB PHE 26 4.677 8.380 -3.006 243 HD1 PHE 26 2HD PHE 26 5.361 12.030 -2.777 244 HD2 PHE 26 1HD PHE 26 6.966 8.104 -3.136 245 HE1 PHE 26 2HE PHE 26 7.606 12.981 -3.105 246 HE2 PHE 26 1HE PHE 26 9.214 9.048 -3.463 247 HZ PHE 26 HZ PHE 26 9.536 11.490 -3.450 248 H ILE 27 H ILE 27 3.268 8.498 -5.488 249 HA ILE 27 HA ILE 27 5.219 9.452 -7.272 250 HB ILE 27 HB ILE 27 2.735 7.870 -7.943 251 HG12 ILE 27 1HG1 ILE 27 5.514 6.868 -7.296 252 HG13 ILE 27 2HG1 ILE 27 4.169 6.858 -6.161 253 HG21 ILE 27 1HG2 ILE 27 5.324 8.293 -9.421 254 HG22 ILE 27 2HG2 ILE 27 4.139 7.057 -9.841 255 HG23 ILE 27 3HG2 ILE 27 3.704 8.764 -9.935 256 HD11 ILE 27 3HD1 ILE 27 4.219 4.697 -6.999 257 HD12 ILE 27 1HD1 ILE 27 2.945 5.476 -7.937 258 HD13 ILE 27 2HD1 ILE 27 4.543 5.239 -8.645 259 H MET 28 H MET 28 1.895 10.359 -6.741 260 HA MET 28 HA MET 28 1.746 11.915 -9.182 261 HB2 MET 28 1HB MET 28 -0.189 11.711 -6.867 262 HB3 MET 28 2HB MET 28 -0.506 12.518 -8.397 263 HG2 MET 28 1HG MET 28 0.054 10.191 -9.421 264 HG3 MET 28 2HG MET 28 -0.303 9.607 -7.798 265 HE1 MET 28 3HE MET 28 -4.022 10.049 -7.343 266 HE2 MET 28 1HE MET 28 -2.572 9.139 -6.919 267 HE3 MET 28 2HE MET 28 -2.660 10.866 -6.574 268 H ILE 29 H ILE 29 1.528 12.625 -5.691 269 HA ILE 29 HA ILE 29 1.511 15.382 -5.824 270 HB ILE 29 HB ILE 29 2.852 13.671 -3.726 271 HG12 ILE 29 1HG1 ILE 29 0.197 14.958 -3.329 272 HG13 ILE 29 2HG1 ILE 29 0.262 13.543 -4.374 273 HG21 ILE 29 1HG2 ILE 29 1.851 16.044 -2.610 274 HG22 ILE 29 2HG2 ILE 29 3.537 15.569 -2.804 275 HG23 ILE 29 3HG2 ILE 29 2.739 16.515 -4.059 276 HD11 ILE 29 3HD1 ILE 29 0.717 13.774 -1.453 277 HD12 ILE 29 1HD1 ILE 29 -0.160 12.551 -2.373 278 HD13 ILE 29 2HD1 ILE 29 1.604 12.538 -2.345 279 H VAL 30 H VAL 30 4.307 13.202 -5.765 280 HA VAL 30 HA VAL 30 6.342 15.082 -5.606 281 HB VAL 30 HB VAL 30 6.653 12.610 -5.480 282 HG11 VAL 30 1HG1 VAL 30 6.308 11.222 -7.207 283 HG12 VAL 30 2HG1 VAL 30 5.357 12.548 -7.880 284 HG13 VAL 30 3HG1 VAL 30 7.039 12.330 -8.368 285 HG21 VAL 30 3HG2 VAL 30 8.858 12.765 -6.026 286 HG22 VAL 30 1HG2 VAL 30 8.532 13.515 -7.589 287 HG23 VAL 30 2HG2 VAL 30 8.439 14.476 -6.113 288 H GLY 31 H GLY 31 4.264 14.275 -8.264 289 HA2 GLY 31 1HA GLY 31 5.940 15.469 -10.284 290 HA3 GLY 31 2HA GLY 31 4.287 14.910 -10.493 291 H LYS 32 H LYS 32 3.572 16.604 -8.055 292 HA LYS 32 HA LYS 32 2.890 18.963 -9.566 293 HB2 LYS 32 1HB LYS 32 2.371 18.450 -6.638 294 HB3 LYS 32 2HB LYS 32 1.523 19.570 -7.696 295 HG2 LYS 32 1HG LYS 32 1.009 17.338 -9.027 296 HG3 LYS 32 2HG LYS 32 1.251 16.632 -7.428 297 HD2 LYS 32 1HD LYS 32 -0.620 18.927 -7.997 298 HD3 LYS 32 2HD LYS 32 -1.119 17.235 -7.943 299 HE2 LYS 32 1HE LYS 32 0.128 17.355 -5.597 300 HE3 LYS 32 2HE LYS 32 -0.307 19.057 -5.745 301 HZ1 LYS 32 3HZ LYS 32 -1.918 17.212 -4.714 302 HZ2 LYS 32 1HZ LYS 32 -2.423 17.158 -6.328 303 HZ3 LYS 32 2HZ LYS 32 -2.481 18.616 -5.472 304 H LYS 33 H LYS 33 4.720 18.300 -6.585 305 HA LYS 33 HA LYS 33 5.564 20.924 -6.105 306 HB2 LYS 33 1HB LYS 33 7.127 18.428 -5.440 307 HB3 LYS 33 2HB LYS 33 7.196 19.980 -4.616 308 HG2 LYS 33 1HG LYS 33 4.643 19.516 -4.212 309 HG3 LYS 33 2HG LYS 33 5.137 17.840 -4.467 310 HD2 LYS 33 1HD LYS 33 6.850 19.409 -2.655 311 HD3 LYS 33 2HD LYS 33 5.213 19.098 -2.074 312 HE2 LYS 33 1HE LYS 33 5.690 16.655 -2.790 313 HE3 LYS 33 2HE LYS 33 7.381 17.150 -2.762 314 HZ1 LYS 33 3HZ LYS 33 6.129 18.034 -0.407 315 HZ2 LYS 33 1HZ LYS 33 7.392 16.921 -0.575 316 HZ3 LYS 33 2HZ LYS 33 5.786 16.390 -0.609 317 H LYS 34 H LYS 34 6.676 18.547 -8.365 318 HA LYS 34 HA LYS 34 9.274 19.351 -8.863 319 HB2 LYS 34 1HB LYS 34 7.203 17.881 -10.296 320 HB3 LYS 34 2HB LYS 34 8.272 18.762 -11.381 321 HG2 LYS 34 1HG LYS 34 10.143 17.565 -10.717 322 HG3 LYS 34 2HG LYS 34 9.397 17.048 -9.204 323 HD2 LYS 34 1HD LYS 34 8.823 15.143 -10.199 324 HD3 LYS 34 2HD LYS 34 7.755 16.065 -11.260 325 HE2 LYS 34 1HE LYS 34 9.106 14.937 -12.764 326 HE3 LYS 34 2HE LYS 34 9.905 16.503 -12.635 327 HZ1 LYS 34 3HZ LYS 34 10.762 13.890 -11.625 328 HZ2 LYS 34 1HZ LYS 34 11.210 15.268 -10.752 329 HZ3 LYS 34 2HZ LYS 34 11.669 15.107 -12.371 330 H LYS 35 H LYS 35 6.310 20.534 -10.449 331 HA LYS 35 HA LYS 35 5.856 22.445 -11.598 332 HB2 LYS 35 1HB LYS 35 7.169 23.181 -9.239 333 HB3 LYS 35 2HB LYS 35 7.938 24.134 -10.501 334 HG2 LYS 35 1HG LYS 35 5.600 24.791 -11.229 335 HG3 LYS 35 2HG LYS 35 5.043 24.088 -9.708 336 HD2 LYS 35 1HD LYS 35 5.657 25.905 -8.579 337 HD3 LYS 35 2HD LYS 35 7.288 25.831 -9.251 338 HE2 LYS 35 1HE LYS 35 5.975 26.778 -11.385 339 HE3 LYS 35 2HE LYS 35 4.941 27.418 -10.109 340 HZ1 LYS 35 3HZ LYS 35 7.814 27.946 -10.571 341 HZ2 LYS 35 1HZ LYS 35 7.076 28.276 -9.085 342 HZ3 LYS 35 2HZ LYS 35 6.542 29.057 -10.487 343 H LYS 36 H LYS 36 7.189 24.445 -12.712 344 HA LYS 36 HA LYS 36 8.495 23.289 -14.907 345 HB2 LYS 36 1HB LYS 36 7.841 25.984 -13.984 346 HB3 LYS 36 2HB LYS 36 9.338 25.920 -14.904 347 HG2 LYS 36 1HG LYS 36 8.100 26.014 -16.738 348 HG3 LYS 36 2HG LYS 36 7.558 24.375 -16.370 349 HD2 LYS 36 1HD LYS 36 5.660 25.232 -15.149 350 HD3 LYS 36 2HD LYS 36 6.235 26.888 -15.350 351 HE2 LYS 36 1HE LYS 36 5.385 27.045 -17.414 352 HE3 LYS 36 2HE LYS 36 5.974 25.447 -17.871 353 HZ1 LYS 36 3HZ LYS 36 3.405 26.207 -16.677 354 HZ2 LYS 36 1HZ LYS 36 4.033 24.673 -16.338 355 HZ3 LYS 36 2HZ LYS 36 3.727 25.127 -17.938 Start of MODEL 2 1 H1 LYS 1 H LYS 1 -7.367 -26.002 5.455 2 HA LYS 1 HA LYS 1 -9.317 -26.073 7.145 3 HB2 LYS 1 1HB LYS 1 -8.378 -28.156 6.424 4 HB3 LYS 1 2HB LYS 1 -6.913 -27.886 7.358 5 HG2 LYS 1 1HG LYS 1 -7.805 -28.774 9.190 6 HG3 LYS 1 2HG LYS 1 -9.290 -27.835 9.019 7 HD2 LYS 1 1HD LYS 1 -9.950 -30.091 8.859 8 HD3 LYS 1 2HD LYS 1 -9.945 -29.487 7.201 9 HE2 LYS 1 1HE LYS 1 -8.482 -31.046 6.604 10 HE3 LYS 1 2HE LYS 1 -7.350 -30.496 7.839 11 HZ1 LYS 1 3HZ LYS 1 -9.198 -31.890 9.252 12 HZ2 LYS 1 1HZ LYS 1 -7.690 -32.479 8.760 13 HZ3 LYS 1 2HZ LYS 1 -9.066 -32.795 7.829 14 H LYS 2 H LYS 2 -6.012 -25.543 8.269 15 HA LYS 2 HA LYS 2 -7.062 -24.259 10.661 16 HB2 LYS 2 1HB LYS 2 -6.342 -26.858 10.887 17 HB3 LYS 2 2HB LYS 2 -4.793 -26.081 11.191 18 HG2 LYS 2 1HG LYS 2 -5.640 -26.238 13.311 19 HG3 LYS 2 2HG LYS 2 -6.176 -24.620 12.853 20 HD2 LYS 2 1HD LYS 2 -8.375 -25.440 12.327 21 HD3 LYS 2 2HD LYS 2 -7.858 -27.109 12.579 22 HE2 LYS 2 1HE LYS 2 -7.370 -26.532 14.949 23 HE3 LYS 2 2HE LYS 2 -8.053 -24.933 14.658 24 HZ1 LYS 2 3HZ LYS 2 -9.543 -26.751 15.651 25 HZ2 LYS 2 1HZ LYS 2 -9.625 -27.357 14.073 26 HZ3 LYS 2 2HZ LYS 2 -10.169 -25.791 14.407 27 H LYS 3 H LYS 3 -4.210 -25.166 8.770 28 HA LYS 3 HA LYS 3 -2.759 -22.845 9.787 29 HB2 LYS 3 1HB LYS 3 -1.868 -25.060 7.930 30 HB3 LYS 3 2HB LYS 3 -0.835 -23.783 8.559 31 HG2 LYS 3 1HG LYS 3 -2.306 -25.700 10.343 32 HG3 LYS 3 2HG LYS 3 -0.690 -26.025 9.711 33 HD2 LYS 3 1HD LYS 3 -1.078 -23.387 10.977 34 HD3 LYS 3 2HD LYS 3 -1.161 -24.781 12.056 35 HE2 LYS 3 1HE LYS 3 1.041 -25.160 11.911 36 HE3 LYS 3 2HE LYS 3 1.057 -24.911 10.165 37 HZ1 LYS 3 3HZ LYS 3 2.168 -23.056 10.660 38 HZ2 LYS 3 1HZ LYS 3 1.701 -23.076 12.287 39 HZ3 LYS 3 2HZ LYS 3 0.670 -22.416 11.120 40 H LYS 4 H LYS 4 -3.234 -24.284 6.555 41 HA LYS 4 HA LYS 4 -2.717 -21.826 5.214 42 HB2 LYS 4 1HB LYS 4 -3.271 -24.584 4.491 43 HB3 LYS 4 2HB LYS 4 -4.106 -23.457 3.429 44 HG2 LYS 4 1HG LYS 4 -1.553 -22.408 3.638 45 HG3 LYS 4 2HG LYS 4 -1.300 -24.154 3.557 46 HD2 LYS 4 1HD LYS 4 -3.231 -22.930 1.656 47 HD3 LYS 4 2HD LYS 4 -1.508 -22.666 1.373 48 HE2 LYS 4 1HE LYS 4 -1.235 -24.745 0.619 49 HE3 LYS 4 2HE LYS 4 -2.065 -25.430 2.016 50 HZ1 LYS 4 3HZ LYS 4 -3.904 -24.180 0.249 51 HZ2 LYS 4 1HZ LYS 4 -3.871 -25.778 0.804 52 HZ3 LYS 4 2HZ LYS 4 -2.989 -25.342 -0.572 53 H ASP 5 H ASP 5 -4.044 -20.144 5.215 54 HA ASP 5 HA ASP 5 -6.885 -20.574 4.689 55 HB2 ASP 5 1HB ASP 5 -5.741 -19.420 7.174 56 HB3 ASP 5 2HB ASP 5 -7.137 -18.593 6.490 57 H LYS 6 H LYS 6 -7.591 -19.232 3.168 58 HA LYS 6 HA LYS 6 -5.937 -17.387 1.876 59 HB2 LYS 6 1HB LYS 6 -8.071 -16.593 0.794 60 HB3 LYS 6 2HB LYS 6 -7.766 -18.321 0.668 61 HG2 LYS 6 1HG LYS 6 -9.761 -18.714 1.531 62 HG3 LYS 6 2HG LYS 6 -9.260 -17.921 3.025 63 HD2 LYS 6 1HD LYS 6 -11.288 -16.897 2.172 64 HD3 LYS 6 2HD LYS 6 -9.946 -15.754 2.083 65 HE2 LYS 6 1HE LYS 6 -11.401 -15.789 0.057 66 HE3 LYS 6 2HE LYS 6 -9.700 -16.120 -0.266 67 HZ1 LYS 6 3HZ LYS 6 -10.130 -18.381 -0.583 68 HZ2 LYS 6 1HZ LYS 6 -11.396 -17.601 -1.391 69 HZ3 LYS 6 2HZ LYS 6 -11.663 -18.296 0.128 70 H TRP 7 H TRP 7 -8.314 -16.961 4.434 71 HA TRP 7 HA TRP 7 -8.233 -14.101 4.376 72 HB2 TRP 7 2HB TRP 7 -9.231 -16.018 6.494 73 HB3 TRP 7 3HB TRP 7 -9.462 -14.272 6.534 74 HD1 TRP 7 1HD TRP 7 -11.459 -17.098 5.874 75 HE1 TRP 7 1HE TRP 7 -13.313 -16.651 4.146 76 HE3 TRP 7 3HE TRP 7 -9.633 -12.787 3.822 77 HZ2 TRP 7 2HZ TRP 7 -13.920 -14.725 2.173 78 HZ3 TRP 7 3HZ TRP 7 -10.910 -11.705 2.018 79 HH2 TRP 7 2HH TRP 7 -13.010 -12.656 1.212 80 H ALA 8 H ALA 8 -6.723 -16.606 6.375 81 HA ALA 8 HA ALA 8 -5.480 -14.979 8.257 82 HB1 ALA 8 3HB ALA 8 -5.514 -17.330 8.602 83 HB2 ALA 8 1HB ALA 8 -4.638 -17.628 7.100 84 HB3 ALA 8 2HB ALA 8 -3.822 -16.854 8.460 85 H SER 9 H SER 9 -4.369 -15.980 5.046 86 HA SER 9 HA SER 9 -1.816 -14.744 5.251 87 HB2 SER 9 1HB SER 9 -3.399 -15.553 2.800 88 HB3 SER 9 2HB SER 9 -1.696 -15.100 2.804 89 HG SER 9 HG SER 9 -1.959 -17.363 2.890 90 H LEU 10 H LEU 10 -4.982 -13.621 4.399 91 HA LEU 10 HA LEU 10 -4.354 -11.362 2.884 92 HB2 LEU 10 1HB LEU 10 -6.635 -12.407 3.416 93 HB3 LEU 10 2HB LEU 10 -6.591 -11.434 4.884 94 HG LEU 10 HG LEU 10 -6.312 -10.187 2.166 95 HD11 LEU 10 1HD1 LEU 10 -8.559 -10.093 1.823 96 HD12 LEU 10 2HD1 LEU 10 -8.942 -10.213 3.541 97 HD13 LEU 10 3HD1 LEU 10 -8.463 -11.653 2.642 98 HD21 LEU 10 3HD2 LEU 10 -6.286 -9.261 4.864 99 HD22 LEU 10 1HD2 LEU 10 -7.701 -8.600 4.043 100 HD23 LEU 10 2HD2 LEU 10 -6.090 -8.340 3.371 101 H TRP 11 H TRP 11 -4.149 -11.942 6.312 102 HA TRP 11 HA TRP 11 -3.915 -9.193 7.070 103 HB2 TRP 11 2HB TRP 11 -2.853 -11.485 8.701 104 HB3 TRP 11 3HB TRP 11 -3.563 -9.971 9.254 105 HD1 TRP 11 1HD TRP 11 -4.467 -13.191 9.805 106 HE1 TRP 11 1HE TRP 11 -6.984 -13.686 9.598 107 HE3 TRP 11 3HE TRP 11 -5.875 -9.108 7.069 108 HZ2 TRP 11 2HZ TRP 11 -9.265 -12.503 8.430 109 HZ3 TRP 11 3HZ TRP 11 -8.244 -8.865 6.448 110 HH2 TRP 11 2HH TRP 11 -9.902 -10.529 7.115 111 H ASN 12 H ASN 12 -1.688 -11.724 6.127 112 HA ASN 12 HA ASN 12 0.642 -10.165 6.862 113 HB2 ASN 12 1HB ASN 12 0.753 -12.647 5.181 114 HB3 ASN 12 2HB ASN 12 1.914 -12.055 6.365 115 HD21 ASN 12 2HD2 ASN 12 0.313 -11.588 8.528 116 HD22 ASN 12 1HD2 ASN 12 -0.351 -13.080 9.095 117 H TRP 13 H TRP 13 -1.342 -10.707 4.092 118 HA TRP 13 HA TRP 13 0.633 -9.744 2.205 119 HB2 TRP 13 2HB TRP 13 -0.863 -11.417 1.378 120 HB3 TRP 13 3HB TRP 13 -2.273 -10.517 1.928 121 HD1 TRP 13 1HD TRP 13 0.694 -9.642 -0.439 122 HE1 TRP 13 1HE TRP 13 -0.287 -8.536 -2.546 123 HE3 TRP 13 3HE TRP 13 -4.266 -9.823 0.785 124 HZ2 TRP 13 2HZ TRP 13 -2.828 -7.833 -3.555 125 HZ3 TRP 13 3HZ TRP 13 -5.908 -8.912 -0.805 126 HH2 TRP 13 2HH TRP 13 -5.201 -7.938 -2.930 127 H PHE 14 H PHE 14 -2.592 -8.639 3.264 128 HA PHE 14 HA PHE 14 -2.522 -6.148 2.016 129 HB2 PHE 14 2HB PHE 14 -4.581 -7.076 2.931 130 HB3 PHE 14 3HB PHE 14 -3.932 -6.964 4.564 131 HD1 PHE 14 1HD PHE 14 -5.235 -5.062 1.710 132 HD2 PHE 14 2HD PHE 14 -3.892 -4.886 5.746 133 HE1 PHE 14 1HE PHE 14 -6.166 -2.795 1.918 134 HE2 PHE 14 2HE PHE 14 -4.822 -2.619 5.960 135 HZ PHE 14 HZ PHE 14 -5.962 -1.570 4.044 136 H ASP 15 H ASP 15 -0.997 -7.258 4.919 137 HA ASP 15 HA ASP 15 -0.576 -4.881 6.292 138 HB2 ASP 15 1HB ASP 15 0.036 -6.875 7.397 139 HB3 ASP 15 2HB ASP 15 1.064 -7.396 6.066 140 H ILE 16 H ILE 16 1.083 -6.195 3.494 141 HA ILE 16 HA ILE 16 3.178 -4.225 3.531 142 HB ILE 16 HB ILE 16 2.352 -6.072 1.288 143 HG12 ILE 16 1HG1 ILE 16 4.588 -6.441 3.289 144 HG13 ILE 16 2HG1 ILE 16 3.004 -7.191 3.456 145 HG21 ILE 16 1HG2 ILE 16 4.868 -5.694 0.744 146 HG22 ILE 16 2HG2 ILE 16 3.678 -4.484 0.267 147 HG23 ILE 16 3HG2 ILE 16 4.665 -4.229 1.705 148 HD11 ILE 16 3HD1 ILE 16 4.547 -8.770 2.524 149 HD12 ILE 16 1HD1 ILE 16 3.361 -8.328 1.297 150 HD13 ILE 16 2HD1 ILE 16 4.985 -7.643 1.240 151 H THR 17 H THR 17 -0.003 -4.483 2.193 152 HA THR 17 HA THR 17 0.383 -2.328 0.295 153 HB THR 17 HB THR 17 -1.881 -2.657 -0.366 154 HG1 THR 17 1HG THR 17 -3.135 -4.272 0.963 155 HG21 THR 17 3HG2 THR 17 -0.028 -4.751 -0.321 156 HG22 THR 17 1HG2 THR 17 -1.429 -4.592 -1.380 157 HG23 THR 17 2HG2 THR 17 -1.567 -5.480 0.137 158 H ASN 18 H ASN 18 -0.458 -2.662 3.584 159 HA ASN 18 HA ASN 18 -2.243 -0.612 4.055 160 HB2 ASN 18 1HB ASN 18 -0.784 -2.310 5.629 161 HB3 ASN 18 2HB ASN 18 -0.053 -0.754 6.015 162 HD21 ASN 18 2HD2 ASN 18 -0.864 -0.780 8.102 163 HD22 ASN 18 1HD2 ASN 18 -2.535 -0.512 8.446 164 H TRP 19 H TRP 19 1.315 -0.363 4.146 165 HA TRP 19 HA TRP 19 1.181 2.522 4.201 166 HB2 TRP 19 2HB TRP 19 3.515 2.490 4.529 167 HB3 TRP 19 3HB TRP 19 2.927 1.068 5.385 168 HD1 TRP 19 1HD TRP 19 2.934 -1.226 3.519 169 HE1 TRP 19 1HE TRP 19 4.992 -2.003 2.184 170 HE3 TRP 19 3HE TRP 19 5.652 3.102 3.626 171 HZ2 TRP 19 2HZ TRP 19 7.445 -0.925 1.295 172 HZ3 TRP 19 3HZ TRP 19 7.845 3.146 2.510 173 HH2 TRP 19 2HH TRP 19 8.720 1.173 1.369 174 H LEU 20 H LEU 20 1.695 0.004 1.854 175 HA LEU 20 HA LEU 20 2.960 1.416 -0.180 176 HB2 LEU 20 1HB LEU 20 2.398 -1.065 -0.046 177 HB3 LEU 20 2HB LEU 20 0.805 -0.623 -0.659 178 HG LEU 20 HG LEU 20 1.923 0.321 -2.681 179 HD11 LEU 20 1HD1 LEU 20 4.348 -1.065 -2.648 180 HD12 LEU 20 2HD1 LEU 20 4.265 -0.219 -1.103 181 HD13 LEU 20 3HD1 LEU 20 4.109 0.682 -2.611 182 HD21 LEU 20 3HD2 LEU 20 2.320 -2.594 -2.028 183 HD22 LEU 20 1HD2 LEU 20 2.505 -1.912 -3.644 184 HD23 LEU 20 2HD2 LEU 20 0.939 -1.849 -2.834 185 H TRP 21 H TRP 21 -0.286 1.618 0.983 186 HA TRP 21 HA TRP 21 -1.583 2.660 -1.267 187 HB2 TRP 21 2HB TRP 21 -2.748 1.906 0.781 188 HB3 TRP 21 3HB TRP 21 -2.112 3.304 1.643 189 HD1 TRP 21 1HD TRP 21 -4.938 2.234 -0.573 190 HE1 TRP 21 1HE TRP 21 -6.493 4.234 -1.028 191 HE3 TRP 21 3HE TRP 21 -2.000 5.983 1.281 192 HZ2 TRP 21 2HZ TRP 21 -6.475 7.032 -0.651 193 HZ3 TRP 21 3HZ TRP 21 -2.842 8.293 1.196 194 HH2 TRP 21 2HH TRP 21 -5.034 8.805 0.249 195 H TYR 22 H TYR 22 0.321 4.241 1.251 196 HA TYR 22 HA TYR 22 -0.214 6.896 0.413 197 HB2 TYR 22 2HB TYR 22 1.089 5.710 2.557 198 HB3 TYR 22 3HB TYR 22 2.381 6.535 1.690 199 HD1 TYR 22 2HD TYR 22 0.844 8.882 0.643 200 HD2 TYR 22 1HD TYR 22 0.856 7.040 4.478 201 HE1 TYR 22 2HE TYR 22 0.170 11.016 1.664 202 HE2 TYR 22 1HE TYR 22 0.181 9.168 5.509 203 HH TYR 22 HH TYR 22 -0.957 11.256 4.845 204 H ILE 23 H ILE 23 2.298 4.556 -0.378 205 HA ILE 23 HA ILE 23 4.112 6.141 -1.718 206 HB ILE 23 HB ILE 23 3.259 3.297 -2.113 207 HG12 ILE 23 1HG1 ILE 23 5.651 2.926 -1.450 208 HG13 ILE 23 2HG1 ILE 23 5.807 4.665 -1.229 209 HG21 ILE 23 1HG2 ILE 23 3.749 3.850 -4.339 210 HG22 ILE 23 2HG2 ILE 23 5.099 4.884 -3.875 211 HG23 ILE 23 3HG2 ILE 23 5.235 3.133 -3.715 212 HD11 ILE 23 3HD1 ILE 23 5.282 3.059 0.780 213 HD12 ILE 23 1HD1 ILE 23 4.571 4.670 0.682 214 HD13 ILE 23 2HD1 ILE 23 3.626 3.257 0.208 215 H LYS 24 H LYS 24 1.292 4.479 -3.128 216 HA LYS 24 HA LYS 24 1.544 5.360 -5.737 217 HB2 LYS 24 1HB LYS 24 -0.673 4.388 -4.045 218 HB3 LYS 24 2HB LYS 24 -1.155 5.315 -5.459 219 HG2 LYS 24 1HG LYS 24 -0.099 3.788 -6.930 220 HG3 LYS 24 2HG LYS 24 0.719 2.969 -5.598 221 HD2 LYS 24 1HD LYS 24 -2.184 3.041 -5.302 222 HD3 LYS 24 2HD LYS 24 -1.651 2.190 -6.754 223 HE2 LYS 24 1HE LYS 24 0.021 1.030 -5.136 224 HE3 LYS 24 2HE LYS 24 -1.087 1.579 -3.879 225 HZ1 LYS 24 3HZ LYS 24 -1.327 -0.709 -5.338 226 HZ2 LYS 24 1HZ LYS 24 -2.445 0.331 -6.066 227 HZ3 LYS 24 2HZ LYS 24 -2.547 0.007 -4.409 228 H LEU 25 H LEU 25 0.345 7.055 -2.927 229 HA LEU 25 HA LEU 25 -0.773 9.244 -4.411 230 HB2 LEU 25 1HB LEU 25 -0.388 8.544 -1.565 231 HB3 LEU 25 2HB LEU 25 -0.491 10.261 -1.946 232 HG LEU 25 HG LEU 25 -2.649 9.280 -1.250 233 HD11 LEU 25 1HD1 LEU 25 -2.701 10.124 -4.137 234 HD12 LEU 25 2HD1 LEU 25 -2.455 11.242 -2.796 235 HD13 LEU 25 3HD1 LEU 25 -3.963 10.336 -2.924 236 HD21 LEU 25 3HD2 LEU 25 -2.798 7.853 -3.867 237 HD22 LEU 25 1HD2 LEU 25 -3.723 7.592 -2.389 238 HD23 LEU 25 2HD2 LEU 25 -2.043 7.062 -2.482 239 H PHE 26 H PHE 26 2.309 8.474 -2.975 240 HA PHE 26 HA PHE 26 3.373 11.110 -2.998 241 HB2 PHE 26 2HB PHE 26 4.411 9.511 -1.562 242 HB3 PHE 26 3HB PHE 26 4.668 8.386 -2.891 243 HD1 PHE 26 1HD PHE 26 5.367 12.033 -2.673 244 HD2 PHE 26 2HD PHE 26 6.957 8.101 -3.040 245 HE1 PHE 26 1HE PHE 26 7.609 12.978 -3.032 246 HE2 PHE 26 2HE PHE 26 9.203 9.040 -3.399 247 HZ PHE 26 HZ PHE 26 9.531 11.481 -3.394 248 H ILE 27 H ILE 27 3.213 8.514 -5.339 249 HA ILE 27 HA ILE 27 5.135 9.460 -7.160 250 HB ILE 27 HB ILE 27 2.633 7.891 -7.790 251 HG12 ILE 27 1HG1 ILE 27 5.411 6.857 -7.196 252 HG13 ILE 27 2HG1 ILE 27 4.101 6.886 -6.021 253 HG21 ILE 27 1HG2 ILE 27 3.709 8.884 -9.754 254 HG22 ILE 27 2HG2 ILE 27 5.233 8.124 -9.297 255 HG23 ILE 27 3HG2 ILE 27 3.852 7.126 -9.752 256 HD11 ILE 27 3HD1 ILE 27 3.994 4.732 -6.794 257 HD12 ILE 27 1HD1 ILE 27 2.818 5.535 -7.834 258 HD13 ILE 27 2HD1 ILE 27 4.438 5.185 -8.440 259 H MET 28 H MET 28 1.811 10.358 -6.586 260 HA MET 28 HA MET 28 1.638 11.932 -9.014 261 HB2 MET 28 1HB MET 28 -0.287 11.748 -6.691 262 HB3 MET 28 2HB MET 28 -0.612 12.495 -8.250 263 HG2 MET 28 1HG MET 28 -0.062 10.160 -9.213 264 HG3 MET 28 2HG MET 28 -0.338 9.602 -7.564 265 HE1 MET 28 3HE MET 28 -2.217 10.644 -6.225 266 HE2 MET 28 1HE MET 28 -3.856 10.907 -6.824 267 HE3 MET 28 2HE MET 28 -3.227 9.266 -6.667 268 H ILE 29 H ILE 29 1.604 12.561 -5.509 269 HA ILE 29 HA ILE 29 1.498 15.330 -5.583 270 HB ILE 29 HB ILE 29 2.972 13.604 -3.591 271 HG12 ILE 29 1HG1 ILE 29 0.318 14.831 -3.035 272 HG13 ILE 29 2HG1 ILE 29 0.355 13.440 -4.113 273 HG21 ILE 29 1HG2 ILE 29 2.472 16.506 -3.755 274 HG22 ILE 29 2HG2 ILE 29 2.198 15.754 -2.184 275 HG23 ILE 29 3HG2 ILE 29 3.775 15.619 -2.962 276 HD11 ILE 29 3HD1 ILE 29 0.052 12.398 -2.117 277 HD12 ILE 29 1HD1 ILE 29 1.814 12.414 -2.178 278 HD13 ILE 29 2HD1 ILE 29 0.953 13.616 -1.215 279 H VAL 30 H VAL 30 4.282 13.183 -5.882 280 HA VAL 30 HA VAL 30 6.239 15.252 -5.841 281 HB VAL 30 HB VAL 30 6.727 12.857 -5.337 282 HG11 VAL 30 1HG1 VAL 30 6.924 11.236 -7.046 283 HG12 VAL 30 2HG1 VAL 30 5.356 12.009 -7.288 284 HG13 VAL 30 3HG1 VAL 30 6.724 12.443 -8.315 285 HG21 VAL 30 3HG2 VAL 30 8.285 14.729 -6.824 286 HG22 VAL 30 1HG2 VAL 30 8.819 13.530 -5.646 287 HG23 VAL 30 2HG2 VAL 30 8.694 13.096 -7.349 288 H GLY 31 H GLY 31 4.281 13.778 -8.329 289 HA2 GLY 31 1HA GLY 31 5.794 14.676 -10.562 290 HA3 GLY 31 2HA GLY 31 4.114 14.159 -10.591 291 H LYS 32 H LYS 32 3.515 16.236 -8.476 292 HA LYS 32 HA LYS 32 2.562 18.247 -10.170 293 HB2 LYS 32 1HB LYS 32 3.132 18.594 -7.227 294 HB3 LYS 32 2HB LYS 32 1.919 19.426 -8.192 295 HG2 LYS 32 1HG LYS 32 1.344 16.708 -8.467 296 HG3 LYS 32 2HG LYS 32 1.732 16.941 -6.762 297 HD2 LYS 32 1HD LYS 32 -0.274 18.550 -8.342 298 HD3 LYS 32 2HD LYS 32 -0.662 17.254 -7.209 299 HE2 LYS 32 1HE LYS 32 0.756 18.700 -5.548 300 HE3 LYS 32 2HE LYS 32 0.379 20.001 -6.676 301 HZ1 LYS 32 3HZ LYS 32 -1.933 19.678 -6.327 302 HZ2 LYS 32 1HZ LYS 32 -1.213 19.756 -4.799 303 HZ3 LYS 32 2HZ LYS 32 -1.680 18.262 -5.437 304 H LYS 33 H LYS 33 5.512 18.042 -8.251 305 HA LYS 33 HA LYS 33 6.341 20.725 -8.853 306 HB2 LYS 33 1HB LYS 33 7.024 18.942 -6.917 307 HB3 LYS 33 2HB LYS 33 8.390 18.774 -8.012 308 HG2 LYS 33 1HG LYS 33 9.267 20.699 -7.346 309 HG3 LYS 33 2HG LYS 33 7.735 21.551 -7.554 310 HD2 LYS 33 1HD LYS 33 8.305 21.736 -5.259 311 HD3 LYS 33 2HD LYS 33 7.011 20.539 -5.358 312 HE2 LYS 33 1HE LYS 33 8.366 18.827 -4.741 313 HE3 LYS 33 2HE LYS 33 9.780 19.516 -5.537 314 HZ1 LYS 33 3HZ LYS 33 8.632 20.620 -3.036 315 HZ2 LYS 33 1HZ LYS 33 10.127 20.989 -3.739 316 HZ3 LYS 33 2HZ LYS 33 9.867 19.464 -3.054 317 H LYS 34 H LYS 34 7.151 17.491 -10.033 318 HA LYS 34 HA LYS 34 9.267 18.166 -11.719 319 HB2 LYS 34 1HB LYS 34 7.563 15.888 -11.275 320 HB3 LYS 34 2HB LYS 34 7.815 16.116 -13.000 321 HG2 LYS 34 1HG LYS 34 9.589 14.778 -12.510 322 HG3 LYS 34 2HG LYS 34 10.329 16.362 -12.266 323 HD2 LYS 34 1HD LYS 34 9.371 15.965 -9.804 324 HD3 LYS 34 2HD LYS 34 9.582 14.282 -10.290 325 HE2 LYS 34 1HE LYS 34 11.934 15.015 -11.033 326 HE3 LYS 34 2HE LYS 34 11.643 16.446 -10.045 327 HZ1 LYS 34 3HZ LYS 34 11.675 15.239 -8.123 328 HZ2 LYS 34 1HZ LYS 34 12.773 14.336 -9.041 329 HZ3 LYS 34 2HZ LYS 34 11.178 13.802 -8.865 330 H LYS 35 H LYS 35 9.248 19.672 -13.249 331 HA LYS 35 HA LYS 35 6.880 20.572 -14.543 332 HB2 LYS 35 1HB LYS 35 9.813 21.103 -14.938 333 HB3 LYS 35 2HB LYS 35 8.620 21.746 -16.060 334 HG2 LYS 35 1HG LYS 35 8.363 23.475 -14.707 335 HG3 LYS 35 2HG LYS 35 7.674 22.382 -13.504 336 HD2 LYS 35 1HD LYS 35 9.571 22.334 -12.266 337 HD3 LYS 35 2HD LYS 35 10.623 22.443 -13.680 338 HE2 LYS 35 1HE LYS 35 8.982 24.758 -12.678 339 HE3 LYS 35 2HE LYS 35 10.623 24.438 -12.118 340 HZ1 LYS 35 3HZ LYS 35 9.827 25.783 -14.430 341 HZ2 LYS 35 1HZ LYS 35 10.604 24.362 -14.919 342 HZ3 LYS 35 2HZ LYS 35 11.401 25.455 -13.905 343 H LYS 36 H LYS 36 9.799 19.112 -15.987 344 HA LYS 36 HA LYS 36 8.041 17.764 -17.931 345 HB2 LYS 36 1HB LYS 36 9.717 18.080 -19.645 346 HB3 LYS 36 2HB LYS 36 9.304 19.640 -18.947 347 HG2 LYS 36 1HG LYS 36 11.472 18.633 -17.458 348 HG3 LYS 36 2HG LYS 36 11.854 18.382 -19.164 349 HD2 LYS 36 1HD LYS 36 10.703 21.008 -18.460 350 HD3 LYS 36 2HD LYS 36 12.328 20.685 -17.853 351 HE2 LYS 36 1HE LYS 36 12.626 21.713 -19.953 352 HE3 LYS 36 2HE LYS 36 12.917 19.995 -20.220 353 HZ1 LYS 36 3HZ LYS 36 10.363 21.397 -20.796 354 HZ2 LYS 36 1HZ LYS 36 10.703 19.770 -21.113 355 HZ3 LYS 36 2HZ LYS 36 11.528 20.984 -21.952 Start of MODEL 3 1 H1 LYS 1 H LYS 1 4.433 -17.492 8.088 2 HA LYS 1 HA LYS 1 6.422 -19.081 9.572 3 HB2 LYS 1 1HB LYS 1 4.773 -16.845 10.753 4 HB3 LYS 1 2HB LYS 1 6.108 -17.706 11.508 5 HG2 LYS 1 1HG LYS 1 7.332 -16.718 9.310 6 HG3 LYS 1 2HG LYS 1 6.132 -15.459 9.619 7 HD2 LYS 1 1HD LYS 1 7.224 -16.122 12.119 8 HD3 LYS 1 2HD LYS 1 8.589 -16.017 11.005 9 HE2 LYS 1 1HE LYS 1 8.320 -13.839 11.833 10 HE3 LYS 1 2HE LYS 1 7.574 -13.809 10.236 11 HZ1 LYS 1 3HZ LYS 1 5.566 -14.528 11.971 12 HZ2 LYS 1 1HZ LYS 1 5.769 -13.023 11.227 13 HZ3 LYS 1 2HZ LYS 1 6.402 -13.294 12.771 14 H LYS 2 H LYS 2 3.077 -17.867 9.850 15 HA LYS 2 HA LYS 2 2.168 -20.585 10.399 16 HB2 LYS 2 1HB LYS 2 0.793 -19.715 12.335 17 HB3 LYS 2 2HB LYS 2 2.524 -19.834 12.623 18 HG2 LYS 2 1HG LYS 2 1.833 -17.235 11.587 19 HG3 LYS 2 2HG LYS 2 0.894 -17.618 13.032 20 HD2 LYS 2 1HD LYS 2 3.053 -18.258 14.145 21 HD3 LYS 2 2HD LYS 2 3.894 -17.607 12.737 22 HE2 LYS 2 1HE LYS 2 3.405 -15.448 13.273 23 HE3 LYS 2 2HE LYS 2 1.875 -15.870 14.041 24 HZ1 LYS 2 3HZ LYS 2 2.965 -15.540 15.940 25 HZ2 LYS 2 1HZ LYS 2 4.487 -15.589 15.201 26 HZ3 LYS 2 2HZ LYS 2 3.719 -17.027 15.652 27 H LYS 3 H LYS 3 0.891 -20.735 8.633 28 HA LYS 3 HA LYS 3 -1.372 -18.871 8.483 29 HB2 LYS 3 1HB LYS 3 -1.229 -18.814 6.048 30 HB3 LYS 3 2HB LYS 3 0.256 -18.204 6.768 31 HG2 LYS 3 1HG LYS 3 1.508 -19.903 5.963 32 HG3 LYS 3 2HG LYS 3 0.203 -21.083 6.117 33 HD2 LYS 3 1HD LYS 3 -0.700 -20.550 4.069 34 HD3 LYS 3 2HD LYS 3 -0.043 -18.912 4.085 35 HE2 LYS 3 1HE LYS 3 1.141 -20.179 2.435 36 HE3 LYS 3 2HE LYS 3 2.227 -19.892 3.793 37 HZ1 LYS 3 3HZ LYS 3 1.321 -22.198 4.554 38 HZ2 LYS 3 1HZ LYS 3 2.566 -22.104 3.412 39 HZ3 LYS 3 2HZ LYS 3 0.977 -22.395 2.910 40 H LYS 4 H LYS 4 -3.256 -19.741 7.419 41 HA LYS 4 HA LYS 4 -3.278 -22.671 7.186 42 HB2 LYS 4 1HB LYS 4 -5.211 -20.941 8.727 43 HB3 LYS 4 2HB LYS 4 -5.588 -22.589 8.241 44 HG2 LYS 4 1HG LYS 4 -3.070 -22.665 9.502 45 HG3 LYS 4 2HG LYS 4 -4.127 -21.672 10.509 46 HD2 LYS 4 1HD LYS 4 -4.298 -23.983 11.193 47 HD3 LYS 4 2HD LYS 4 -5.817 -23.476 10.451 48 HE2 LYS 4 1HE LYS 4 -5.607 -24.928 8.752 49 HE3 LYS 4 2HE LYS 4 -3.882 -24.613 8.570 50 HZ1 LYS 4 3HZ LYS 4 -3.335 -26.228 10.083 51 HZ2 LYS 4 1HZ LYS 4 -4.706 -26.922 9.375 52 HZ3 LYS 4 2HZ LYS 4 -4.825 -26.164 10.882 53 H ASP 5 H ASP 5 -5.661 -20.038 6.873 54 HA ASP 5 HA ASP 5 -6.272 -21.047 4.175 55 HB2 ASP 5 1HB ASP 5 -8.018 -19.512 6.111 56 HB3 ASP 5 2HB ASP 5 -8.489 -19.958 4.474 57 H LYS 6 H LYS 6 -7.289 -19.236 2.767 58 HA LYS 6 HA LYS 6 -5.306 -17.367 2.177 59 HB2 LYS 6 1HB LYS 6 -7.014 -16.306 0.715 60 HB3 LYS 6 2HB LYS 6 -6.898 -18.048 0.498 61 HG2 LYS 6 1HG LYS 6 -9.124 -18.007 0.653 62 HG3 LYS 6 2HG LYS 6 -8.843 -17.868 2.390 63 HD2 LYS 6 1HD LYS 6 -10.223 -16.076 2.100 64 HD3 LYS 6 2HD LYS 6 -8.675 -15.291 1.775 65 HE2 LYS 6 1HE LYS 6 -9.315 -16.238 -0.687 66 HE3 LYS 6 2HE LYS 6 -10.915 -15.893 -0.032 67 HZ1 LYS 6 3HZ LYS 6 -8.811 -14.073 -0.815 68 HZ2 LYS 6 1HZ LYS 6 -9.560 -13.686 0.653 69 HZ3 LYS 6 2HZ LYS 6 -10.485 -13.834 -0.756 70 H TRP 7 H TRP 7 -8.261 -17.047 4.082 71 HA TRP 7 HA TRP 7 -8.298 -14.294 4.434 72 HB2 TRP 7 2HB TRP 7 -9.138 -16.509 6.309 73 HB3 TRP 7 3HB TRP 7 -9.475 -14.807 6.605 74 HD1 TRP 7 1HD TRP 7 -11.281 -17.633 5.502 75 HE1 TRP 7 1HE TRP 7 -13.173 -17.046 3.860 76 HE3 TRP 7 3HE TRP 7 -9.773 -12.933 4.174 77 HZ2 TRP 7 2HZ TRP 7 -13.926 -14.877 2.217 78 HZ3 TRP 7 3HZ TRP 7 -11.135 -11.669 2.561 79 HH2 TRP 7 2HH TRP 7 -13.168 -12.623 1.604 80 H ALA 8 H ALA 8 -6.765 -16.739 6.527 81 HA ALA 8 HA ALA 8 -5.641 -15.032 8.397 82 HB1 ALA 8 3HB ALA 8 -5.516 -17.270 8.960 83 HB2 ALA 8 1HB ALA 8 -4.877 -17.740 7.385 84 HB3 ALA 8 2HB ALA 8 -3.844 -16.899 8.543 85 H SER 9 H SER 9 -4.416 -16.010 5.232 86 HA SER 9 HA SER 9 -1.881 -14.741 5.524 87 HB2 SER 9 1HB SER 9 -2.886 -16.557 3.767 88 HB3 SER 9 2HB SER 9 -2.941 -15.092 2.787 89 HG SER 9 HG SER 9 -0.651 -14.857 3.659 90 H LEU 10 H LEU 10 -5.037 -13.685 4.555 91 HA LEU 10 HA LEU 10 -4.442 -11.444 3.025 92 HB2 LEU 10 1HB LEU 10 -6.709 -12.494 3.604 93 HB3 LEU 10 2HB LEU 10 -6.657 -11.490 5.051 94 HG LEU 10 HG LEU 10 -6.416 -10.299 2.304 95 HD11 LEU 10 1HD1 LEU 10 -8.550 -11.769 2.830 96 HD12 LEU 10 2HD1 LEU 10 -8.668 -10.227 1.982 97 HD13 LEU 10 3HD1 LEU 10 -9.032 -10.316 3.706 98 HD21 LEU 10 3HD2 LEU 10 -6.370 -9.315 4.980 99 HD22 LEU 10 1HD2 LEU 10 -7.799 -8.683 4.163 100 HD23 LEU 10 2HD2 LEU 10 -6.199 -8.424 3.467 101 H TRP 11 H TRP 11 -4.196 -11.947 6.463 102 HA TRP 11 HA TRP 11 -3.976 -9.182 7.159 103 HB2 TRP 11 2HB TRP 11 -2.879 -11.431 8.826 104 HB3 TRP 11 3HB TRP 11 -3.594 -9.910 9.355 105 HD1 TRP 11 1HD TRP 11 -4.467 -13.123 9.985 106 HE1 TRP 11 1HE TRP 11 -6.983 -13.643 9.817 107 HE3 TRP 11 3HE TRP 11 -5.937 -9.113 7.177 108 HZ2 TRP 11 2HZ TRP 11 -9.285 -12.503 8.647 109 HZ3 TRP 11 3HZ TRP 11 -8.314 -8.902 6.576 110 HH2 TRP 11 2HH TRP 11 -9.952 -10.563 7.297 111 H ASN 12 H ASN 12 -1.740 -11.712 6.239 112 HA ASN 12 HA ASN 12 0.586 -10.123 6.919 113 HB2 ASN 12 1HB ASN 12 0.292 -12.815 5.572 114 HB3 ASN 12 2HB ASN 12 1.842 -12.050 5.913 115 HD21 ASN 12 2HD2 ASN 12 -0.889 -13.701 7.224 116 HD22 ASN 12 1HD2 ASN 12 -0.258 -13.922 8.817 117 H TRP 13 H TRP 13 -1.426 -10.726 4.184 118 HA TRP 13 HA TRP 13 0.519 -9.781 2.257 119 HB2 TRP 13 2HB TRP 13 -0.970 -11.482 1.477 120 HB3 TRP 13 3HB TRP 13 -2.382 -10.583 2.025 121 HD1 TRP 13 1HD TRP 13 0.553 -9.733 -0.391 122 HE1 TRP 13 1HE TRP 13 -0.458 -8.672 -2.507 123 HE3 TRP 13 3HE TRP 13 -4.392 -9.918 0.893 124 HZ2 TRP 13 2HZ TRP 13 -3.014 -8.002 -3.499 125 HZ3 TRP 13 3HZ TRP 13 -6.056 -9.047 -0.695 126 HH2 TRP 13 2HH TRP 13 -5.380 -8.108 -2.845 127 H PHE 14 H PHE 14 -2.704 -8.686 3.331 128 HA PHE 14 HA PHE 14 -2.677 -6.219 2.039 129 HB2 PHE 14 2HB PHE 14 -4.711 -7.147 3.005 130 HB3 PHE 14 3HB PHE 14 -4.038 -7.000 4.625 131 HD1 PHE 14 2HD PHE 14 -5.093 -5.024 1.672 132 HD2 PHE 14 1HD PHE 14 -4.309 -5.040 5.855 133 HE1 PHE 14 2HE PHE 14 -6.042 -2.761 1.854 134 HE2 PHE 14 1HE PHE 14 -5.258 -2.777 6.044 135 HZ PHE 14 HZ PHE 14 -6.124 -1.634 4.043 136 H ASP 15 H ASP 15 -1.096 -7.257 4.940 137 HA ASP 15 HA ASP 15 -0.671 -4.823 6.230 138 HB2 ASP 15 1HB ASP 15 0.277 -7.499 6.466 139 HB3 ASP 15 2HB ASP 15 1.674 -6.426 6.500 140 H ILE 16 H ILE 16 0.792 -6.156 3.379 141 HA ILE 16 HA ILE 16 3.013 -4.310 3.371 142 HB ILE 16 HB ILE 16 2.024 -6.138 1.177 143 HG12 ILE 16 1HG1 ILE 16 4.375 -6.552 3.027 144 HG13 ILE 16 2HG1 ILE 16 2.778 -7.222 3.346 145 HG21 ILE 16 1HG2 ILE 16 4.457 -5.841 0.420 146 HG22 ILE 16 2HG2 ILE 16 3.330 -4.518 0.120 147 HG23 ILE 16 3HG2 ILE 16 4.465 -4.420 1.465 148 HD11 ILE 16 3HD1 ILE 16 3.065 -8.878 1.888 149 HD12 ILE 16 1HD1 ILE 16 3.769 -7.813 0.672 150 HD13 ILE 16 2HD1 ILE 16 4.777 -8.461 1.966 151 H THR 17 H THR 17 -0.222 -4.418 2.146 152 HA THR 17 HA THR 17 0.196 -2.285 0.231 153 HB THR 17 HB THR 17 -2.104 -2.506 -0.346 154 HG1 THR 17 1HG THR 17 -2.491 -4.234 1.879 155 HG21 THR 17 3HG2 THR 17 -1.780 -4.461 -1.373 156 HG22 THR 17 1HG2 THR 17 -1.905 -5.342 0.150 157 HG23 THR 17 2HG2 THR 17 -0.350 -4.687 -0.366 158 H ASN 18 H ASN 18 -0.537 -2.576 3.549 159 HA ASN 18 HA ASN 18 -2.206 -0.447 4.081 160 HB2 ASN 18 1HB ASN 18 -1.216 -2.153 5.711 161 HB3 ASN 18 2HB ASN 18 0.191 -1.096 5.793 162 HD21 ASN 18 2HD2 ASN 18 -3.346 -0.764 5.889 163 HD22 ASN 18 1HD2 ASN 18 -3.377 0.293 7.255 164 H TRP 19 H TRP 19 1.361 -0.363 4.041 165 HA TRP 19 HA TRP 19 1.363 2.526 4.094 166 HB2 TRP 19 2HB TRP 19 3.704 2.384 4.332 167 HB3 TRP 19 3HB TRP 19 3.084 0.991 5.214 168 HD1 TRP 19 1HD TRP 19 2.913 -1.302 3.356 169 HE1 TRP 19 1HE TRP 19 4.880 -2.175 1.944 170 HE3 TRP 19 3HE TRP 19 5.829 2.897 3.344 171 HZ2 TRP 19 2HZ TRP 19 7.342 -1.212 0.957 172 HZ3 TRP 19 3HZ TRP 19 7.976 2.838 2.143 173 HH2 TRP 19 2HH TRP 19 8.715 0.826 0.975 174 H LEU 20 H LEU 20 1.702 -0.018 1.735 175 HA LEU 20 HA LEU 20 2.939 1.349 -0.346 176 HB2 LEU 20 1HB LEU 20 2.296 -1.114 -0.182 177 HB3 LEU 20 2HB LEU 20 0.703 -0.618 -0.749 178 HG LEU 20 HG LEU 20 1.940 0.375 -2.764 179 HD11 LEU 20 1HD1 LEU 20 4.177 -0.136 -1.398 180 HD12 LEU 20 2HD1 LEU 20 4.114 -0.108 -3.160 181 HD13 LEU 20 3HD1 LEU 20 4.046 -1.646 -2.300 182 HD21 LEU 20 3HD2 LEU 20 0.545 -1.531 -3.036 183 HD22 LEU 20 1HD2 LEU 20 1.728 -2.586 -2.264 184 HD23 LEU 20 2HD2 LEU 20 2.070 -1.887 -3.846 185 H TRP 21 H TRP 21 -0.259 1.651 0.927 186 HA TRP 21 HA TRP 21 -1.598 2.736 -1.278 187 HB2 TRP 21 2HB TRP 21 -2.717 2.018 0.806 188 HB3 TRP 21 3HB TRP 21 -2.007 3.393 1.646 189 HD1 TRP 21 1HD TRP 21 -4.940 2.420 -0.476 190 HE1 TRP 21 1HE TRP 21 -6.443 4.470 -0.877 191 HE3 TRP 21 3HE TRP 21 -1.822 6.068 1.285 192 HZ2 TRP 21 2HZ TRP 21 -6.323 7.265 -0.497 193 HZ3 TRP 21 3HZ TRP 21 -2.590 8.404 1.229 194 HH2 TRP 21 2HH TRP 21 -4.794 8.988 0.356 195 H TYR 22 H TYR 22 0.442 4.253 1.170 196 HA TYR 22 HA TYR 22 -0.038 6.926 0.351 197 HB2 TYR 22 2HB TYR 22 1.306 5.694 2.447 198 HB3 TYR 22 3HB TYR 22 2.585 6.491 1.538 199 HD1 TYR 22 2HD TYR 22 1.081 8.881 0.554 200 HD2 TYR 22 1HD TYR 22 1.163 7.017 4.378 201 HE1 TYR 22 2HE TYR 22 0.496 11.026 1.606 202 HE2 TYR 22 1HE TYR 22 0.576 9.157 5.440 203 HH TYR 22 HH TYR 22 -0.028 11.274 5.106 204 H ILE 23 H ILE 23 2.372 4.507 -0.523 205 HA ILE 23 HA ILE 23 4.189 6.035 -1.924 206 HB ILE 23 HB ILE 23 3.232 3.221 -2.288 207 HG12 ILE 23 1HG1 ILE 23 5.632 2.771 -1.707 208 HG13 ILE 23 2HG1 ILE 23 5.853 4.505 -1.495 209 HG21 ILE 23 1HG2 ILE 23 5.006 4.775 -4.135 210 HG22 ILE 23 2HG2 ILE 23 5.197 3.034 -3.942 211 HG23 ILE 23 3HG2 ILE 23 3.669 3.692 -4.524 212 HD11 ILE 23 3HD1 ILE 23 3.677 3.167 0.018 213 HD12 ILE 23 1HD1 ILE 23 5.345 2.920 0.536 214 HD13 ILE 23 2HD1 ILE 23 4.679 4.551 0.456 215 H LYS 24 H LYS 24 1.269 4.467 -3.237 216 HA LYS 24 HA LYS 24 1.463 5.342 -5.854 217 HB2 LYS 24 1HB LYS 24 -0.715 4.422 -4.090 218 HB3 LYS 24 2HB LYS 24 -1.231 5.390 -5.465 219 HG2 LYS 24 1HG LYS 24 -0.277 3.860 -7.009 220 HG3 LYS 24 2HG LYS 24 0.554 2.985 -5.722 221 HD2 LYS 24 1HD LYS 24 -2.317 3.148 -5.289 222 HD3 LYS 24 2HD LYS 24 -1.906 2.349 -6.808 223 HE2 LYS 24 1HE LYS 24 -0.515 0.764 -5.663 224 HE3 LYS 24 2HE LYS 24 -0.699 1.634 -4.141 225 HZ1 LYS 24 3HZ LYS 24 -2.809 0.854 -3.843 226 HZ2 LYS 24 1HZ LYS 24 -2.138 -0.463 -4.667 227 HZ3 LYS 24 2HZ LYS 24 -3.106 0.649 -5.496 228 H LEU 25 H LEU 25 0.409 7.071 -3.004 229 HA LEU 25 HA LEU 25 -0.686 9.296 -4.451 230 HB2 LEU 25 1HB LEU 25 -0.225 8.584 -1.618 231 HB3 LEU 25 2HB LEU 25 -0.291 10.303 -1.999 232 HG LEU 25 HG LEU 25 -2.451 9.381 -1.228 233 HD11 LEU 25 1HD1 LEU 25 -2.334 11.350 -2.706 234 HD12 LEU 25 2HD1 LEU 25 -3.807 10.409 -2.940 235 HD13 LEU 25 3HD1 LEU 25 -2.487 10.284 -4.103 236 HD21 LEU 25 3HD2 LEU 25 -1.947 7.151 -2.490 237 HD22 LEU 25 1HD2 LEU 25 -2.740 7.965 -3.838 238 HD23 LEU 25 2HD2 LEU 25 -3.608 7.721 -2.323 239 H PHE 26 H PHE 26 2.418 8.422 -3.128 240 HA PHE 26 HA PHE 26 3.564 11.025 -3.184 241 HB2 PHE 26 2HB PHE 26 4.596 9.389 -1.782 242 HB3 PHE 26 3HB PHE 26 4.776 8.260 -3.121 243 HD1 PHE 26 1HD PHE 26 5.592 11.883 -2.912 244 HD2 PHE 26 2HD PHE 26 7.049 7.908 -3.350 245 HE1 PHE 26 1HE PHE 26 7.851 12.761 -3.340 246 HE2 PHE 26 2HE PHE 26 9.309 8.779 -3.778 247 HZ PHE 26 HZ PHE 26 9.714 11.208 -3.772 248 H ILE 27 H ILE 27 3.222 8.448 -5.521 249 HA ILE 27 HA ILE 27 5.118 9.336 -7.406 250 HB ILE 27 HB ILE 27 2.555 7.833 -7.949 251 HG12 ILE 27 1HG1 ILE 27 5.323 6.726 -7.441 252 HG13 ILE 27 2HG1 ILE 27 4.052 6.790 -6.226 253 HG21 ILE 27 1HG2 ILE 27 3.742 7.006 -9.933 254 HG22 ILE 27 2HG2 ILE 27 3.547 8.758 -9.962 255 HG23 ILE 27 3HG2 ILE 27 5.107 8.051 -9.540 256 HD11 ILE 27 3HD1 ILE 27 3.132 4.927 -6.989 257 HD12 ILE 27 1HD1 ILE 27 3.120 5.531 -8.646 258 HD13 ILE 27 2HD1 ILE 27 4.558 4.732 -8.008 259 H MET 28 H MET 28 1.820 10.294 -6.742 260 HA MET 28 HA MET 28 1.626 11.889 -9.156 261 HB2 MET 28 1HB MET 28 -0.259 11.742 -6.797 262 HB3 MET 28 2HB MET 28 -0.602 12.469 -8.361 263 HG2 MET 28 1HG MET 28 -0.094 10.110 -9.293 264 HG3 MET 28 2HG MET 28 -0.356 9.585 -7.632 265 HE1 MET 28 3HE MET 28 -3.337 9.206 -6.799 266 HE2 MET 28 1HE MET 28 -2.173 10.420 -6.269 267 HE3 MET 28 2HE MET 28 -3.778 10.914 -6.805 268 H ILE 29 H ILE 29 1.593 12.518 -5.646 269 HA ILE 29 HA ILE 29 1.551 15.276 -5.695 270 HB ILE 29 HB ILE 29 3.061 13.525 -3.751 271 HG12 ILE 29 1HG1 ILE 29 0.356 14.746 -3.293 272 HG13 ILE 29 2HG1 ILE 29 0.507 13.216 -4.150 273 HG21 ILE 29 1HG2 ILE 29 2.150 15.796 -2.439 274 HG22 ILE 29 2HG2 ILE 29 3.814 15.437 -2.898 275 HG23 ILE 29 3HG2 ILE 29 2.790 16.394 -3.970 276 HD11 ILE 29 3HD1 ILE 29 1.065 13.858 -1.299 277 HD12 ILE 29 1HD1 ILE 29 0.167 12.511 -2.000 278 HD13 ILE 29 2HD1 ILE 29 1.929 12.532 -2.076 279 H VAL 30 H VAL 30 4.398 13.145 -5.777 280 HA VAL 30 HA VAL 30 6.382 15.087 -5.785 281 HB VAL 30 HB VAL 30 6.773 12.631 -5.591 282 HG11 VAL 30 1HG1 VAL 30 5.305 12.021 -7.518 283 HG12 VAL 30 2HG1 VAL 30 6.568 12.616 -8.598 284 HG13 VAL 30 3HG1 VAL 30 6.889 11.245 -7.535 285 HG21 VAL 30 3HG2 VAL 30 8.525 14.417 -6.194 286 HG22 VAL 30 1HG2 VAL 30 8.940 12.722 -6.448 287 HG23 VAL 30 2HG2 VAL 30 8.461 13.728 -7.815 288 H GLY 31 H GLY 31 4.281 14.010 -8.361 289 HA2 GLY 31 1HA GLY 31 5.781 15.181 -10.494 290 HA3 GLY 31 2HA GLY 31 4.115 14.627 -10.575 291 H LYS 32 H LYS 32 3.502 16.406 -8.201 292 HA LYS 32 HA LYS 32 2.776 18.717 -9.759 293 HB2 LYS 32 1HB LYS 32 2.390 18.316 -6.792 294 HB3 LYS 32 2HB LYS 32 1.500 19.402 -7.851 295 HG2 LYS 32 1HG LYS 32 0.813 17.224 -9.083 296 HG3 LYS 32 2HG LYS 32 1.295 16.436 -7.580 297 HD2 LYS 32 1HD LYS 32 -0.455 18.806 -7.323 298 HD3 LYS 32 2HD LYS 32 -1.184 17.363 -8.033 299 HE2 LYS 32 1HE LYS 32 0.406 17.182 -5.502 300 HE3 LYS 32 2HE LYS 32 -1.277 17.705 -5.464 301 HZ1 LYS 32 3HZ LYS 32 -0.568 15.236 -6.893 302 HZ2 LYS 32 1HZ LYS 32 -2.024 15.661 -6.141 303 HZ3 LYS 32 2HZ LYS 32 -0.689 15.208 -5.206 304 H LYS 33 H LYS 33 5.163 17.900 -7.351 305 HA LYS 33 HA LYS 33 5.985 20.687 -7.071 306 HB2 LYS 33 1HB LYS 33 7.581 19.786 -5.387 307 HB3 LYS 33 2HB LYS 33 5.900 19.424 -5.020 308 HG2 LYS 33 1HG LYS 33 6.169 17.195 -5.311 309 HG3 LYS 33 2HG LYS 33 7.399 17.393 -6.562 310 HD2 LYS 33 1HD LYS 33 7.864 17.958 -3.637 311 HD3 LYS 33 2HD LYS 33 8.243 16.420 -4.417 312 HE2 LYS 33 1HE LYS 33 9.615 17.828 -6.068 313 HE3 LYS 33 2HE LYS 33 9.475 19.119 -4.876 314 HZ1 LYS 33 3HZ LYS 33 11.331 18.193 -4.058 315 HZ2 LYS 33 1HZ LYS 33 11.062 16.699 -4.803 316 HZ3 LYS 33 2HZ LYS 33 10.278 17.074 -3.353 317 H LYS 34 H LYS 34 6.359 20.017 -9.612 318 HA LYS 34 HA LYS 34 9.190 20.257 -9.936 319 HB2 LYS 34 1HB LYS 34 9.518 18.262 -11.330 320 HB3 LYS 34 2HB LYS 34 9.069 17.833 -9.684 321 HG2 LYS 34 1HG LYS 34 6.802 17.373 -10.382 322 HG3 LYS 34 2HG LYS 34 7.172 17.905 -12.024 323 HD2 LYS 34 1HD LYS 34 9.096 16.042 -11.665 324 HD3 LYS 34 2HD LYS 34 7.810 15.370 -10.659 325 HE2 LYS 34 1HE LYS 34 6.473 16.133 -12.935 326 HE3 LYS 34 2HE LYS 34 8.018 15.561 -13.564 327 HZ1 LYS 34 3HZ LYS 34 5.866 14.020 -12.799 328 HZ2 LYS 34 1HZ LYS 34 7.021 13.792 -11.584 329 HZ3 LYS 34 2HZ LYS 34 7.416 13.474 -13.197 330 H LYS 35 H LYS 35 9.801 20.683 -12.161 331 HA LYS 35 HA LYS 35 7.707 22.092 -13.568 332 HB2 LYS 35 1HB LYS 35 10.651 22.030 -13.604 333 HB3 LYS 35 2HB LYS 35 9.905 22.294 -15.175 334 HG2 LYS 35 1HG LYS 35 10.132 24.445 -14.446 335 HG3 LYS 35 2HG LYS 35 8.506 24.080 -13.863 336 HD2 LYS 35 1HD LYS 35 10.148 23.217 -11.812 337 HD3 LYS 35 2HD LYS 35 10.925 24.699 -12.374 338 HE2 LYS 35 1HE LYS 35 7.975 24.593 -11.845 339 HE3 LYS 35 2HE LYS 35 9.125 24.867 -10.538 340 HZ1 LYS 35 3HZ LYS 35 8.470 26.979 -11.293 341 HZ2 LYS 35 1HZ LYS 35 8.645 26.557 -12.922 342 HZ3 LYS 35 2HZ LYS 35 10.013 26.739 -11.943 343 H LYS 36 H LYS 36 9.986 19.464 -14.326 344 HA LYS 36 HA LYS 36 8.815 18.909 -16.867 345 HB2 LYS 36 1HB LYS 36 11.106 18.316 -16.546 346 HB3 LYS 36 2HB LYS 36 10.728 17.373 -15.110 347 HG2 LYS 36 1HG LYS 36 9.281 16.417 -17.424 348 HG3 LYS 36 2HG LYS 36 11.025 16.424 -17.694 349 HD2 LYS 36 1HD LYS 36 10.321 15.415 -15.062 350 HD3 LYS 36 2HD LYS 36 9.574 14.479 -16.360 351 HE2 LYS 36 1HE LYS 36 12.080 14.758 -17.330 352 HE3 LYS 36 2HE LYS 36 12.409 14.750 -15.598 353 HZ1 LYS 36 3HZ LYS 36 12.470 12.528 -16.086 354 HZ2 LYS 36 1HZ LYS 36 11.277 12.628 -17.282 355 HZ3 LYS 36 2HZ LYS 36 10.844 12.691 -15.649 Start of MODEL 4 1 H1 LYS 1 H LYS 1 1.085 -19.315 2.841 2 HA LYS 1 HA LYS 1 -1.471 -19.163 3.975 3 HB2 LYS 1 1HB LYS 1 -2.365 -21.361 3.075 4 HB3 LYS 1 2HB LYS 1 -2.420 -19.993 1.971 5 HG2 LYS 1 1HG LYS 1 0.056 -21.440 1.691 6 HG3 LYS 1 2HG LYS 1 -1.335 -22.507 1.486 7 HD2 LYS 1 1HD LYS 1 -1.884 -21.584 -0.480 8 HD3 LYS 1 2HD LYS 1 -1.642 -19.944 0.126 9 HE2 LYS 1 1HE LYS 1 0.041 -20.022 -1.408 10 HE3 LYS 1 2HE LYS 1 0.902 -20.669 -0.013 11 HZ1 LYS 1 3HZ LYS 1 0.807 -21.870 -2.391 12 HZ2 LYS 1 1HZ LYS 1 -0.496 -22.627 -1.625 13 HZ3 LYS 1 2HZ LYS 1 1.046 -22.696 -0.935 14 H LYS 2 H LYS 2 -1.673 -20.493 5.758 15 HA LYS 2 HA LYS 2 0.628 -22.256 6.294 16 HB2 LYS 2 1HB LYS 2 0.171 -21.736 8.726 17 HB3 LYS 2 2HB LYS 2 0.800 -20.402 7.768 18 HG2 LYS 2 1HG LYS 2 -2.107 -20.498 7.800 19 HG3 LYS 2 2HG LYS 2 -1.400 -20.323 9.408 20 HD2 LYS 2 1HD LYS 2 -0.356 -18.626 7.192 21 HD3 LYS 2 2HD LYS 2 -1.920 -18.220 7.904 22 HE2 LYS 2 1HE LYS 2 -0.981 -17.886 10.035 23 HE3 LYS 2 2HE LYS 2 0.521 -18.697 9.590 24 HZ1 LYS 2 3HZ LYS 2 0.651 -16.225 9.697 25 HZ2 LYS 2 1HZ LYS 2 -0.384 -16.154 8.360 26 HZ3 LYS 2 2HZ LYS 2 1.135 -16.884 8.217 27 H LYS 3 H LYS 3 -2.832 -21.843 6.447 28 HA LYS 3 HA LYS 3 -3.112 -24.717 6.929 29 HB2 LYS 3 1HB LYS 3 -4.914 -24.357 8.545 30 HB3 LYS 3 2HB LYS 3 -3.406 -23.654 9.115 31 HG2 LYS 3 1HG LYS 3 -4.158 -21.498 8.869 32 HG3 LYS 3 2HG LYS 3 -5.345 -21.938 7.638 33 HD2 LYS 3 1HD LYS 3 -6.593 -23.172 9.445 34 HD3 LYS 3 2HD LYS 3 -5.491 -22.433 10.608 35 HE2 LYS 3 1HE LYS 3 -6.488 -20.421 10.456 36 HE3 LYS 3 2HE LYS 3 -6.723 -20.558 8.715 37 HZ1 LYS 3 3HZ LYS 3 -8.524 -21.211 10.875 38 HZ2 LYS 3 1HZ LYS 3 -8.445 -22.389 9.662 39 HZ3 LYS 3 2HZ LYS 3 -8.863 -20.797 9.269 40 H LYS 4 H LYS 4 -3.319 -23.339 4.500 41 HA LYS 4 HA LYS 4 -4.676 -23.058 2.694 42 HB2 LYS 4 1HB LYS 4 -6.239 -25.104 4.264 43 HB3 LYS 4 2HB LYS 4 -6.719 -24.575 2.657 44 HG2 LYS 4 1HG LYS 4 -4.573 -25.352 1.768 45 HG3 LYS 4 2HG LYS 4 -4.114 -25.904 3.380 46 HD2 LYS 4 1HD LYS 4 -4.915 -27.847 2.420 47 HD3 LYS 4 2HD LYS 4 -6.345 -27.244 3.260 48 HE2 LYS 4 1HE LYS 4 -6.236 -26.092 0.649 49 HE3 LYS 4 2HE LYS 4 -6.043 -27.839 0.513 50 HZ1 LYS 4 3HZ LYS 4 -8.302 -26.320 1.655 51 HZ2 LYS 4 1HZ LYS 4 -8.050 -27.943 2.063 52 HZ3 LYS 4 2HZ LYS 4 -8.327 -27.509 0.452 53 H ASP 5 H ASP 5 -4.892 -20.951 4.308 54 HA ASP 5 HA ASP 5 -7.745 -20.279 4.132 55 HB2 ASP 5 1HB ASP 5 -6.023 -20.229 6.527 56 HB3 ASP 5 2HB ASP 5 -6.980 -18.774 6.267 57 H LYS 6 H LYS 6 -7.724 -18.880 2.478 58 HA LYS 6 HA LYS 6 -5.581 -17.139 1.863 59 HB2 LYS 6 1HB LYS 6 -7.154 -16.103 0.272 60 HB3 LYS 6 2HB LYS 6 -7.153 -17.858 0.154 61 HG2 LYS 6 1HG LYS 6 -9.373 -17.678 0.229 62 HG3 LYS 6 2HG LYS 6 -9.153 -17.410 1.959 63 HD2 LYS 6 1HD LYS 6 -10.427 -15.582 1.415 64 HD3 LYS 6 2HD LYS 6 -8.807 -14.915 1.194 65 HE2 LYS 6 1HE LYS 6 -9.386 -16.059 -1.254 66 HE3 LYS 6 2HE LYS 6 -10.926 -15.365 -0.748 67 HZ1 LYS 6 3HZ LYS 6 -8.512 -13.727 -0.485 68 HZ2 LYS 6 1HZ LYS 6 -10.104 -13.256 -0.812 69 HZ3 LYS 6 2HZ LYS 6 -9.159 -13.948 -2.033 70 H TRP 7 H TRP 7 -8.508 -16.772 3.761 71 HA TRP 7 HA TRP 7 -8.470 -13.967 4.009 72 HB2 TRP 7 2HB TRP 7 -9.609 -16.124 5.789 73 HB3 TRP 7 3HB TRP 7 -9.841 -14.405 6.092 74 HD1 TRP 7 1HD TRP 7 -11.774 -17.061 4.815 75 HE1 TRP 7 1HE TRP 7 -13.477 -16.313 3.035 76 HE3 TRP 7 3HE TRP 7 -9.786 -12.496 3.657 77 HZ2 TRP 7 2HZ TRP 7 -13.918 -14.082 1.362 78 HZ3 TRP 7 3HZ TRP 7 -10.909 -11.117 1.956 79 HH2 TRP 7 2HH TRP 7 -12.931 -11.896 0.833 80 H ALA 8 H ALA 8 -6.962 -16.535 5.910 81 HA ALA 8 HA ALA 8 -6.002 -14.924 8.009 82 HB1 ALA 8 3HB ALA 8 -4.707 -17.439 6.977 83 HB2 ALA 8 1HB ALA 8 -4.614 -16.767 8.605 84 HB3 ALA 8 2HB ALA 8 -6.138 -17.424 8.007 85 H SER 9 H SER 9 -4.511 -15.935 4.951 86 HA SER 9 HA SER 9 -2.008 -14.709 5.414 87 HB2 SER 9 1HB SER 9 -3.436 -15.728 2.982 88 HB3 SER 9 2HB SER 9 -1.953 -14.794 2.792 89 HG SER 9 HG SER 9 -1.668 -17.118 2.964 90 H LEU 10 H LEU 10 -5.064 -13.499 4.315 91 HA LEU 10 HA LEU 10 -4.332 -11.222 2.919 92 HB2 LEU 10 1HB LEU 10 -6.657 -12.196 3.388 93 HB3 LEU 10 2HB LEU 10 -6.610 -11.251 4.874 94 HG LEU 10 HG LEU 10 -6.232 -9.967 2.185 95 HD11 LEU 10 1HD1 LEU 10 -8.469 -9.789 1.801 96 HD12 LEU 10 2HD1 LEU 10 -8.890 -9.928 3.507 97 HD13 LEU 10 3HD1 LEU 10 -8.442 -11.366 2.589 98 HD21 LEU 10 3HD2 LEU 10 -5.974 -8.150 3.430 99 HD22 LEU 10 1HD2 LEU 10 -6.231 -9.091 4.900 100 HD23 LEU 10 2HD2 LEU 10 -7.606 -8.367 4.065 101 H TRP 11 H TRP 11 -4.215 -11.866 6.340 102 HA TRP 11 HA TRP 11 -3.903 -9.141 7.152 103 HB2 TRP 11 2HB TRP 11 -2.950 -11.496 8.760 104 HB3 TRP 11 3HB TRP 11 -3.619 -9.968 9.327 105 HD1 TRP 11 1HD TRP 11 -4.641 -13.165 9.804 106 HE1 TRP 11 1HE TRP 11 -7.168 -13.572 9.541 107 HE3 TRP 11 3HE TRP 11 -5.860 -8.991 7.114 108 HZ2 TRP 11 2HZ TRP 11 -9.386 -12.294 8.351 109 HZ3 TRP 11 3HZ TRP 11 -8.206 -8.658 6.453 110 HH2 TRP 11 2HH TRP 11 -9.931 -10.277 7.059 111 H ASN 12 H ASN 12 -1.745 -11.725 6.197 112 HA ASN 12 HA ASN 12 0.622 -10.262 7.009 113 HB2 ASN 12 1HB ASN 12 0.241 -12.893 5.570 114 HB3 ASN 12 2HB ASN 12 1.820 -12.203 5.931 115 HD21 ASN 12 2HD2 ASN 12 -1.243 -12.957 7.554 116 HD22 ASN 12 1HD2 ASN 12 -0.522 -13.562 9.004 117 H TRP 13 H TRP 13 -1.328 -10.674 4.193 118 HA TRP 13 HA TRP 13 0.714 -9.733 2.366 119 HB2 TRP 13 2HB TRP 13 -0.813 -11.344 1.472 120 HB3 TRP 13 3HB TRP 13 -2.207 -10.412 2.012 121 HD1 TRP 13 1HD TRP 13 0.835 -9.587 -0.277 122 HE1 TRP 13 1HE TRP 13 -0.068 -8.406 -2.379 123 HE3 TRP 13 3HE TRP 13 -4.153 -9.624 0.848 124 HZ2 TRP 13 2HZ TRP 13 -2.562 -7.598 -3.421 125 HZ3 TRP 13 3HZ TRP 13 -5.730 -8.627 -0.755 126 HH2 TRP 13 2HH TRP 13 -4.950 -7.635 -2.844 127 H PHE 14 H PHE 14 -2.499 -8.556 3.383 128 HA PHE 14 HA PHE 14 -2.358 -6.051 2.189 129 HB2 PHE 14 2HB PHE 14 -4.443 -6.899 3.086 130 HB3 PHE 14 3HB PHE 14 -3.784 -6.896 4.719 131 HD1 PHE 14 2HD PHE 14 -4.874 -4.742 1.929 132 HD2 PHE 14 1HD PHE 14 -3.793 -4.941 6.042 133 HE1 PHE 14 2HE PHE 14 -5.707 -2.450 2.255 134 HE2 PHE 14 1HE PHE 14 -4.625 -2.650 6.375 135 HZ PHE 14 HZ PHE 14 -5.583 -1.401 4.480 136 H ASP 15 H ASP 15 -0.849 -7.240 5.070 137 HA ASP 15 HA ASP 15 -0.354 -4.900 6.476 138 HB2 ASP 15 1HB ASP 15 0.590 -7.594 6.515 139 HB3 ASP 15 2HB ASP 15 1.982 -6.520 6.629 140 H ILE 16 H ILE 16 1.199 -6.167 3.606 141 HA ILE 16 HA ILE 16 3.330 -4.216 3.668 142 HB ILE 16 HB ILE 16 2.529 -6.084 1.434 143 HG12 ILE 16 1HG1 ILE 16 4.693 -6.419 3.520 144 HG13 ILE 16 2HG1 ILE 16 3.136 -7.240 3.558 145 HG21 ILE 16 1HG2 ILE 16 4.839 -5.706 0.646 146 HG22 ILE 16 2HG2 ILE 16 3.862 -4.240 0.631 147 HG23 ILE 16 3HG2 ILE 16 5.046 -4.497 1.912 148 HD11 ILE 16 3HD1 ILE 16 4.260 -8.879 2.533 149 HD12 ILE 16 1HD1 ILE 16 3.997 -7.904 1.086 150 HD13 ILE 16 2HD1 ILE 16 5.526 -7.794 1.959 151 H THR 17 H THR 17 0.157 -4.499 2.318 152 HA THR 17 HA THR 17 0.543 -2.364 0.398 153 HB THR 17 HB THR 17 -1.717 -2.707 -0.268 154 HG1 THR 17 1HG THR 17 -2.961 -2.923 1.478 155 HG21 THR 17 3HG2 THR 17 -1.395 -5.524 0.269 156 HG22 THR 17 1HG2 THR 17 0.143 -4.797 -0.193 157 HG23 THR 17 2HG2 THR 17 -1.255 -4.653 -1.258 158 H ASN 18 H ASN 18 -0.306 -2.663 3.687 159 HA ASN 18 HA ASN 18 -2.100 -0.615 4.130 160 HB2 ASN 18 1HB ASN 18 -1.419 -2.075 5.928 161 HB3 ASN 18 2HB ASN 18 0.241 -1.498 5.827 162 HD21 ASN 18 2HD2 ASN 18 -3.062 -0.389 6.423 163 HD22 ASN 18 1HD2 ASN 18 -2.633 0.824 7.576 164 H TRP 19 H TRP 19 1.456 -0.350 4.227 165 HA TRP 19 HA TRP 19 1.310 2.536 4.248 166 HB2 TRP 19 2HB TRP 19 3.644 2.516 4.578 167 HB3 TRP 19 3HB TRP 19 3.061 1.102 5.451 168 HD1 TRP 19 1HD TRP 19 3.080 -1.216 3.616 169 HE1 TRP 19 1HE TRP 19 5.143 -2.001 2.292 170 HE3 TRP 19 3HE TRP 19 5.777 3.127 3.665 171 HZ2 TRP 19 2HZ TRP 19 7.590 -0.921 1.389 172 HZ3 TRP 19 3HZ TRP 19 7.969 3.167 2.548 173 HH2 TRP 19 2HH TRP 19 8.855 1.183 1.434 174 H LEU 20 H LEU 20 1.886 -0.010 1.934 175 HA LEU 20 HA LEU 20 3.126 1.404 -0.112 176 HB2 LEU 20 1HB LEU 20 2.615 -1.090 0.058 177 HB3 LEU 20 2HB LEU 20 1.023 -0.689 -0.583 178 HG LEU 20 HG LEU 20 2.253 0.329 -2.568 179 HD11 LEU 20 1HD1 LEU 20 4.507 -1.089 -1.185 180 HD12 LEU 20 2HD1 LEU 20 4.458 0.554 -1.821 181 HD13 LEU 20 3HD1 LEU 20 4.506 -0.817 -2.927 182 HD21 LEU 20 3HD2 LEU 20 2.449 -1.811 -3.676 183 HD22 LEU 20 1HD2 LEU 20 1.038 -1.816 -2.617 184 HD23 LEU 20 2HD2 LEU 20 2.516 -2.643 -2.122 185 H TRP 21 H TRP 21 -0.134 1.535 1.027 186 HA TRP 21 HA TRP 21 -1.440 2.522 -1.244 187 HB2 TRP 21 2HB TRP 21 -2.599 1.754 0.804 188 HB3 TRP 21 3HB TRP 21 -2.013 3.182 1.653 189 HD1 TRP 21 1HD TRP 21 -4.787 1.998 -0.571 190 HE1 TRP 21 1HE TRP 21 -6.395 3.945 -1.068 191 HE3 TRP 21 3HE TRP 21 -1.975 5.859 1.252 192 HZ2 TRP 21 2HZ TRP 21 -6.463 6.747 -0.733 193 HZ3 TRP 21 3HZ TRP 21 -2.884 8.142 1.125 194 HH2 TRP 21 2HH TRP 21 -5.082 8.575 0.152 195 H TYR 22 H TYR 22 0.415 4.169 1.266 196 HA TYR 22 HA TYR 22 -0.189 6.804 0.401 197 HB2 TYR 22 2HB TYR 22 0.729 6.087 2.672 198 HB3 TYR 22 3HB TYR 22 2.303 5.978 1.889 199 HD1 TYR 22 2HD TYR 22 -0.394 8.505 1.418 200 HD2 TYR 22 1HD TYR 22 3.547 7.718 2.816 201 HE1 TYR 22 2HE TYR 22 -0.049 10.913 1.786 202 HE2 TYR 22 1HE TYR 22 3.901 10.123 3.190 203 HH TYR 22 HH TYR 22 3.063 12.228 2.554 204 H ILE 23 H ILE 23 2.386 4.519 -0.349 205 HA ILE 23 HA ILE 23 4.175 6.134 -1.684 206 HB ILE 23 HB ILE 23 3.389 3.271 -2.066 207 HG12 ILE 23 1HG1 ILE 23 5.779 2.953 -1.381 208 HG13 ILE 23 2HG1 ILE 23 5.906 4.697 -1.183 209 HG21 ILE 23 1HG2 ILE 23 3.889 3.752 -4.286 210 HG22 ILE 23 2HG2 ILE 23 5.148 4.908 -3.852 211 HG23 ILE 23 3HG2 ILE 23 5.426 3.180 -3.638 212 HD11 ILE 23 3HD1 ILE 23 5.402 3.119 0.849 213 HD12 ILE 23 1HD1 ILE 23 4.651 4.709 0.718 214 HD13 ILE 23 2HD1 ILE 23 3.745 3.265 0.263 215 H LYS 24 H LYS 24 1.394 4.413 -3.099 216 HA LYS 24 HA LYS 24 1.653 5.279 -5.715 217 HB2 LYS 24 1HB LYS 24 -0.417 4.082 -4.082 218 HB3 LYS 24 2HB LYS 24 -1.105 5.228 -5.224 219 HG2 LYS 24 1HG LYS 24 -1.048 2.959 -6.124 220 HG3 LYS 24 2HG LYS 24 -0.052 4.066 -7.071 221 HD2 LYS 24 1HD LYS 24 1.134 1.986 -6.770 222 HD3 LYS 24 2HD LYS 24 1.941 3.255 -5.844 223 HE2 LYS 24 1HE LYS 24 1.592 2.192 -3.913 224 HE3 LYS 24 2HE LYS 24 -0.103 1.900 -4.295 225 HZ1 LYS 24 3HZ LYS 24 0.628 -0.225 -4.294 226 HZ2 LYS 24 1HZ LYS 24 2.216 0.183 -4.709 227 HZ3 LYS 24 2HZ LYS 24 1.017 0.136 -5.900 228 H LEU 25 H LEU 25 0.385 6.965 -2.926 229 HA LEU 25 HA LEU 25 -0.767 9.120 -4.429 230 HB2 LEU 25 1HB LEU 25 -0.379 8.443 -1.581 231 HB3 LEU 25 2HB LEU 25 -0.492 10.159 -1.966 232 HG LEU 25 HG LEU 25 -2.645 9.160 -1.272 233 HD11 LEU 25 1HD1 LEU 25 -2.608 11.134 -2.695 234 HD12 LEU 25 2HD1 LEU 25 -3.972 10.094 -3.098 235 HD13 LEU 25 3HD1 LEU 25 -2.542 10.114 -4.131 236 HD21 LEU 25 3HD2 LEU 25 -3.670 7.431 -2.359 237 HD22 LEU 25 1HD2 LEU 25 -1.983 6.962 -2.574 238 HD23 LEU 25 2HD2 LEU 25 -2.850 7.757 -3.887 239 H PHE 26 H PHE 26 2.337 8.414 -3.020 240 HA PHE 26 HA PHE 26 3.341 11.081 -3.068 241 HB2 PHE 26 2HB PHE 26 4.408 9.538 -1.594 242 HB3 PHE 26 3HB PHE 26 4.689 8.387 -2.897 243 HD1 PHE 26 2HD PHE 26 5.322 12.049 -2.761 244 HD2 PHE 26 1HD PHE 26 6.983 8.140 -3.036 245 HE1 PHE 26 2HE PHE 26 7.548 13.026 -3.138 246 HE2 PHE 26 1HE PHE 26 9.213 9.111 -3.410 247 HZ PHE 26 HZ PHE 26 9.497 11.556 -3.464 248 H ILE 27 H ILE 27 3.263 8.429 -5.353 249 HA ILE 27 HA ILE 27 5.167 9.389 -7.185 250 HB ILE 27 HB ILE 27 2.710 7.739 -7.791 251 HG12 ILE 27 1HG1 ILE 27 5.516 6.812 -7.146 252 HG13 ILE 27 2HG1 ILE 27 4.179 6.796 -6.002 253 HG21 ILE 27 1HG2 ILE 27 4.672 6.942 -9.510 254 HG22 ILE 27 2HG2 ILE 27 3.388 8.084 -9.898 255 HG23 ILE 27 3HG2 ILE 27 4.971 8.675 -9.395 256 HD11 ILE 27 3HD1 ILE 27 4.452 5.198 -8.530 257 HD12 ILE 27 1HD1 ILE 27 4.411 4.605 -6.870 258 HD13 ILE 27 2HD1 ILE 27 2.961 5.301 -7.595 259 H MET 28 H MET 28 1.811 10.199 -6.657 260 HA MET 28 HA MET 28 1.619 11.724 -9.114 261 HB2 MET 28 1HB MET 28 -0.329 11.532 -6.810 262 HB3 MET 28 2HB MET 28 -0.657 12.226 -8.393 263 HG2 MET 28 1HG MET 28 0.015 9.862 -9.257 264 HG3 MET 28 2HG MET 28 -0.346 9.371 -7.603 265 HE1 MET 28 3HE MET 28 -2.566 9.300 -6.528 266 HE2 MET 28 1HE MET 28 -2.859 11.033 -6.669 267 HE3 MET 28 2HE MET 28 -4.088 9.886 -7.201 268 H ILE 29 H ILE 29 1.456 12.433 -5.626 269 HA ILE 29 HA ILE 29 1.282 15.184 -5.742 270 HB ILE 29 HB ILE 29 2.815 13.548 -3.718 271 HG12 ILE 29 1HG1 ILE 29 0.085 14.677 -3.262 272 HG13 ILE 29 2HG1 ILE 29 0.241 13.207 -4.218 273 HG21 ILE 29 1HG2 ILE 29 2.490 16.387 -4.025 274 HG22 ILE 29 2HG2 ILE 29 1.747 15.840 -2.523 275 HG23 ILE 29 3HG2 ILE 29 3.446 15.491 -2.846 276 HD11 ILE 29 3HD1 ILE 29 0.789 13.665 -1.333 277 HD12 ILE 29 1HD1 ILE 29 -0.075 12.348 -2.126 278 HD13 ILE 29 2HD1 ILE 29 1.686 12.411 -2.190 279 H VAL 30 H VAL 30 4.190 13.162 -5.846 280 HA VAL 30 HA VAL 30 6.066 15.265 -5.848 281 HB VAL 30 HB VAL 30 6.617 12.872 -5.409 282 HG11 VAL 30 1HG1 VAL 30 6.865 11.306 -7.173 283 HG12 VAL 30 2HG1 VAL 30 5.263 12.023 -7.359 284 HG13 VAL 30 3HG1 VAL 30 6.589 12.541 -8.401 285 HG21 VAL 30 3HG2 VAL 30 8.806 13.058 -6.165 286 HG22 VAL 30 1HG2 VAL 30 8.324 13.841 -7.670 287 HG23 VAL 30 2HG2 VAL 30 8.256 14.733 -6.150 288 H GLY 31 H GLY 31 4.115 13.848 -8.365 289 HA2 GLY 31 1HA GLY 31 5.615 14.841 -10.575 290 HA3 GLY 31 2HA GLY 31 3.953 14.271 -10.621 291 H LYS 32 H LYS 32 3.284 16.262 -8.448 292 HA LYS 32 HA LYS 32 2.234 18.278 -10.055 293 HB2 LYS 32 1HB LYS 32 2.884 18.387 -7.103 294 HB3 LYS 32 2HB LYS 32 1.821 19.502 -7.952 295 HG2 LYS 32 1HG LYS 32 0.872 16.927 -8.536 296 HG3 LYS 32 2HG LYS 32 1.229 16.948 -6.807 297 HD2 LYS 32 1HD LYS 32 -0.113 19.006 -6.585 298 HD3 LYS 32 2HD LYS 32 -0.509 18.913 -8.303 299 HE2 LYS 32 1HE LYS 32 -1.362 16.539 -7.731 300 HE3 LYS 32 2HE LYS 32 -1.359 17.112 -6.065 301 HZ1 LYS 32 3HZ LYS 32 -3.463 17.666 -6.692 302 HZ2 LYS 32 1HZ LYS 32 -3.049 17.936 -8.310 303 HZ3 LYS 32 2HZ LYS 32 -2.668 19.092 -7.135 304 H LYS 33 H LYS 33 4.905 18.649 -7.715 305 HA LYS 33 HA LYS 33 5.882 20.914 -9.312 306 HB2 LYS 33 1HB LYS 33 6.393 20.141 -6.435 307 HB3 LYS 33 2HB LYS 33 7.203 21.471 -7.253 308 HG2 LYS 33 1HG LYS 33 4.457 21.860 -7.671 309 HG3 LYS 33 2HG LYS 33 4.644 21.416 -5.973 310 HD2 LYS 33 1HD LYS 33 5.004 23.652 -5.779 311 HD3 LYS 33 2HD LYS 33 6.654 23.155 -6.157 312 HE2 LYS 33 1HE LYS 33 4.857 23.740 -8.440 313 HE3 LYS 33 2HE LYS 33 5.391 25.111 -7.466 314 HZ1 LYS 33 3HZ LYS 33 7.072 23.183 -8.961 315 HZ2 LYS 33 1HZ LYS 33 7.706 24.235 -7.797 316 HZ3 LYS 33 2HZ LYS 33 6.961 24.857 -9.181 317 H LYS 34 H LYS 34 6.585 18.909 -10.693 318 HA LYS 34 HA LYS 34 9.180 17.898 -9.776 319 HB2 LYS 34 1HB LYS 34 7.307 16.382 -10.700 320 HB3 LYS 34 2HB LYS 34 7.753 17.024 -12.276 321 HG2 LYS 34 1HG LYS 34 9.008 15.112 -12.202 322 HG3 LYS 34 2HG LYS 34 10.158 16.294 -11.572 323 HD2 LYS 34 1HD LYS 34 8.881 15.508 -9.297 324 HD3 LYS 34 2HD LYS 34 8.865 14.017 -10.243 325 HE2 LYS 34 1HE LYS 34 11.396 15.576 -10.074 326 HE3 LYS 34 2HE LYS 34 10.894 14.633 -8.672 327 HZ1 LYS 34 3HZ LYS 34 10.977 12.653 -9.899 328 HZ2 LYS 34 1HZ LYS 34 12.385 13.485 -10.331 329 HZ3 LYS 34 2HZ LYS 34 11.062 13.459 -11.384 330 H LYS 35 H LYS 35 8.688 20.647 -10.758 331 HA LYS 35 HA LYS 35 10.307 20.632 -13.211 332 HB2 LYS 35 1HB LYS 35 8.031 22.126 -12.436 333 HB3 LYS 35 2HB LYS 35 9.379 23.253 -12.498 334 HG2 LYS 35 1HG LYS 35 8.411 23.297 -14.634 335 HG3 LYS 35 2HG LYS 35 9.876 22.326 -14.798 336 HD2 LYS 35 1HD LYS 35 7.921 20.483 -14.123 337 HD3 LYS 35 2HD LYS 35 7.098 21.592 -15.222 338 HE2 LYS 35 1HE LYS 35 8.968 21.298 -16.830 339 HE3 LYS 35 2HE LYS 35 9.662 20.092 -15.746 340 HZ1 LYS 35 3HZ LYS 35 8.434 18.626 -16.851 341 HZ2 LYS 35 1HZ LYS 35 7.523 19.826 -17.622 342 HZ3 LYS 35 2HZ LYS 35 7.078 19.285 -16.084 343 H LYS 36 H LYS 36 12.391 21.097 -13.050 344 HA LYS 36 HA LYS 36 13.318 22.607 -10.697 345 HB2 LYS 36 1HB LYS 36 15.414 21.437 -10.853 346 HB3 LYS 36 2HB LYS 36 14.116 20.250 -10.863 347 HG2 LYS 36 1HG LYS 36 14.451 20.674 -13.520 348 HG3 LYS 36 2HG LYS 36 16.096 20.904 -12.924 349 HD2 LYS 36 1HD LYS 36 14.365 18.506 -12.322 350 HD3 LYS 36 2HD LYS 36 15.609 18.562 -13.573 351 HE2 LYS 36 1HE LYS 36 16.071 18.992 -10.623 352 HE3 LYS 36 2HE LYS 36 16.408 17.502 -11.502 353 HZ1 LYS 36 3HZ LYS 36 18.438 18.635 -11.370 354 HZ2 LYS 36 1HZ LYS 36 17.748 20.125 -11.777 355 HZ3 LYS 36 2HZ LYS 36 17.899 18.915 -12.948 Start of MODEL 5 1 H1 LYS 1 H LYS 1 3.706 -19.766 -4.935 2 HA LYS 1 HA LYS 1 3.478 -17.934 -7.031 3 HB2 LYS 1 1HB LYS 1 3.332 -19.780 -8.552 4 HB3 LYS 1 2HB LYS 1 2.159 -20.603 -7.533 5 HG2 LYS 1 1HG LYS 1 0.429 -19.414 -8.335 6 HG3 LYS 1 2HG LYS 1 1.368 -17.925 -8.455 7 HD2 LYS 1 1HD LYS 1 1.789 -18.270 -10.619 8 HD3 LYS 1 2HD LYS 1 2.298 -19.934 -10.325 9 HE2 LYS 1 1HE LYS 1 0.142 -20.769 -10.593 10 HE3 LYS 1 2HE LYS 1 -0.605 -19.196 -10.314 11 HZ1 LYS 1 3HZ LYS 1 0.725 -20.205 -12.744 12 HZ2 LYS 1 1HZ LYS 1 0.605 -18.540 -12.465 13 HZ3 LYS 1 2HZ LYS 1 -0.796 -19.481 -12.584 14 H LYS 2 H LYS 2 1.042 -20.253 -5.874 15 HA LYS 2 HA LYS 2 -0.641 -18.069 -4.996 16 HB2 LYS 2 1HB LYS 2 -1.074 -20.698 -5.898 17 HB3 LYS 2 2HB LYS 2 -1.606 -20.675 -4.221 18 HG2 LYS 2 1HG LYS 2 -3.536 -20.064 -5.263 19 HG3 LYS 2 2HG LYS 2 -2.825 -18.473 -4.981 20 HD2 LYS 2 1HD LYS 2 -2.367 -18.136 -7.188 21 HD3 LYS 2 2HD LYS 2 -2.113 -19.854 -7.509 22 HE2 LYS 2 1HE LYS 2 -4.823 -19.519 -6.769 23 HE3 LYS 2 2HE LYS 2 -4.444 -18.269 -7.953 24 HZ1 LYS 2 3HZ LYS 2 -4.552 -19.785 -9.541 25 HZ2 LYS 2 1HZ LYS 2 -4.933 -20.981 -8.407 26 HZ3 LYS 2 2HZ LYS 2 -3.318 -20.685 -8.815 27 H LYS 3 H LYS 3 -1.886 -18.686 -2.811 28 HA LYS 3 HA LYS 3 0.045 -19.504 -0.768 29 HB2 LYS 3 1HB LYS 3 -1.380 -16.851 -0.882 30 HB3 LYS 3 2HB LYS 3 -0.760 -17.513 0.624 31 HG2 LYS 3 1HG LYS 3 1.489 -17.503 -0.247 32 HG3 LYS 3 2HG LYS 3 0.906 -16.965 -1.824 33 HD2 LYS 3 1HD LYS 3 1.106 -14.856 -1.151 34 HD3 LYS 3 2HD LYS 3 -0.108 -15.156 0.095 35 HE2 LYS 3 1HE LYS 3 1.831 -16.124 1.470 36 HE3 LYS 3 2HE LYS 3 2.883 -15.324 0.302 37 HZ1 LYS 3 3HZ LYS 3 1.572 -14.208 2.518 38 HZ2 LYS 3 1HZ LYS 3 0.956 -13.479 1.121 39 HZ3 LYS 3 2HZ LYS 3 2.620 -13.451 1.425 40 H LYS 4 H LYS 4 -0.841 -20.609 0.896 41 HA LYS 4 HA LYS 4 -3.560 -21.462 0.665 42 HB2 LYS 4 1HB LYS 4 -1.236 -22.115 2.386 43 HB3 LYS 4 2HB LYS 4 -2.826 -22.430 3.070 44 HG2 LYS 4 1HG LYS 4 -3.300 -23.668 0.871 45 HG3 LYS 4 2HG LYS 4 -1.549 -23.637 0.647 46 HD2 LYS 4 1HD LYS 4 -2.310 -24.490 3.319 47 HD3 LYS 4 2HD LYS 4 -2.991 -25.527 2.062 48 HE2 LYS 4 1HE LYS 4 -0.882 -26.446 2.635 49 HE3 LYS 4 2HE LYS 4 -0.678 -25.654 1.073 50 HZ1 LYS 4 3HZ LYS 4 1.151 -25.184 2.606 51 HZ2 LYS 4 1HZ LYS 4 0.068 -24.468 3.691 52 HZ3 LYS 4 2HZ LYS 4 0.324 -23.774 2.171 53 H ASP 5 H ASP 5 -5.221 -21.224 2.236 54 HA ASP 5 HA ASP 5 -6.571 -20.024 3.619 55 HB2 ASP 5 1HB ASP 5 -3.942 -19.239 4.897 56 HB3 ASP 5 2HB ASP 5 -5.534 -19.006 5.615 57 H LYS 6 H LYS 6 -7.422 -18.569 2.179 58 HA LYS 6 HA LYS 6 -6.099 -16.291 1.187 59 HB2 LYS 6 1HB LYS 6 -8.428 -15.494 0.646 60 HB3 LYS 6 2HB LYS 6 -8.015 -17.083 0.015 61 HG2 LYS 6 1HG LYS 6 -9.819 -17.912 0.984 62 HG3 LYS 6 2HG LYS 6 -9.155 -17.484 2.562 63 HD2 LYS 6 1HD LYS 6 -11.362 -16.510 2.288 64 HD3 LYS 6 2HD LYS 6 -10.139 -15.238 2.344 65 HE2 LYS 6 1HE LYS 6 -11.882 -14.913 0.589 66 HE3 LYS 6 2HE LYS 6 -10.231 -14.950 -0.026 67 HZ1 LYS 6 3HZ LYS 6 -11.664 -17.486 0.039 68 HZ2 LYS 6 1HZ LYS 6 -10.583 -16.882 -1.113 69 HZ3 LYS 6 2HZ LYS 6 -12.188 -16.352 -1.103 70 H TRP 7 H TRP 7 -8.078 -16.821 4.046 71 HA TRP 7 HA TRP 7 -8.225 -14.056 4.764 72 HB2 TRP 7 2HB TRP 7 -8.737 -16.558 6.386 73 HB3 TRP 7 3HB TRP 7 -9.090 -14.921 6.931 74 HD1 TRP 7 1HD TRP 7 -10.945 -17.688 5.782 75 HE1 TRP 7 1HE TRP 7 -13.072 -17.021 4.495 76 HE3 TRP 7 3HE TRP 7 -9.788 -12.810 4.775 77 HZ2 TRP 7 2HZ TRP 7 -14.120 -14.731 3.220 78 HZ3 TRP 7 3HZ TRP 7 -11.407 -11.451 3.516 79 HH2 TRP 7 2HH TRP 7 -13.527 -12.393 2.755 80 H ALA 8 H ALA 8 -6.255 -16.809 5.816 81 HA ALA 8 HA ALA 8 -4.854 -15.554 7.876 82 HB1 ALA 8 3HB ALA 8 -4.874 -18.020 7.227 83 HB2 ALA 8 1HB ALA 8 -3.615 -17.603 6.064 84 HB3 ALA 8 2HB ALA 8 -3.343 -17.346 7.789 85 H SER 9 H SER 9 -4.039 -15.818 4.425 86 HA SER 9 HA SER 9 -1.612 -14.374 4.606 87 HB2 SER 9 1HB SER 9 -3.431 -15.137 2.338 88 HB3 SER 9 2HB SER 9 -2.060 -14.062 2.060 89 HG SER 9 HG SER 9 -0.780 -15.766 3.111 90 H LEU 10 H LEU 10 -4.934 -13.417 4.355 91 HA LEU 10 HA LEU 10 -4.741 -10.878 3.267 92 HB2 LEU 10 1HB LEU 10 -6.806 -12.206 4.004 93 HB3 LEU 10 2HB LEU 10 -6.529 -11.503 5.596 94 HG LEU 10 HG LEU 10 -6.851 -9.770 3.167 95 HD11 LEU 10 1HD1 LEU 10 -9.135 -9.815 3.257 96 HD12 LEU 10 2HD1 LEU 10 -9.171 -10.349 4.938 97 HD13 LEU 10 3HD1 LEU 10 -8.776 -11.495 3.657 98 HD21 LEU 10 3HD2 LEU 10 -6.581 -8.145 4.651 99 HD22 LEU 10 1HD2 LEU 10 -6.356 -9.341 5.927 100 HD23 LEU 10 2HD2 LEU 10 -7.971 -8.735 5.562 101 H TRP 11 H TRP 11 -3.789 -12.021 6.408 102 HA TRP 11 HA TRP 11 -3.586 -9.436 7.623 103 HB2 TRP 11 2HB TRP 11 -2.071 -11.857 8.559 104 HB3 TRP 11 3HB TRP 11 -2.753 -10.543 9.512 105 HD1 TRP 11 1HD TRP 11 -3.310 -13.880 9.612 106 HE1 TRP 11 1HE TRP 11 -5.778 -14.591 9.784 107 HE3 TRP 11 3HE TRP 11 -5.512 -9.564 7.986 108 HZ2 TRP 11 2HZ TRP 11 -8.321 -13.470 9.294 109 HZ3 TRP 11 3HZ TRP 11 -7.967 -9.465 7.867 110 HH2 TRP 11 2HH TRP 11 -9.341 -11.378 8.508 111 H ASN 12 H ASN 12 -1.445 -11.532 5.813 112 HA ASN 12 HA ASN 12 0.883 -9.900 6.375 113 HB2 ASN 12 1HB ASN 12 0.404 -12.383 4.742 114 HB3 ASN 12 2HB ASN 12 1.919 -11.493 4.623 115 HD21 ASN 12 2HD2 ASN 12 -0.271 -12.806 7.084 116 HD22 ASN 12 1HD2 ASN 12 0.978 -13.390 8.126 117 H TRP 13 H TRP 13 -1.576 -10.171 3.964 118 HA TRP 13 HA TRP 13 -0.095 -8.692 1.963 119 HB2 TRP 13 2HB TRP 13 -1.603 -10.346 1.123 120 HB3 TRP 13 3HB TRP 13 -2.935 -9.712 2.087 121 HD1 TRP 13 1HD TRP 13 -0.598 -8.254 -0.668 122 HE1 TRP 13 1HE TRP 13 -2.056 -6.863 -2.271 123 HE3 TRP 13 3HE TRP 13 -5.132 -8.871 1.612 124 HZ2 TRP 13 2HZ TRP 13 -4.767 -6.125 -2.534 125 HZ3 TRP 13 3HZ TRP 13 -7.108 -7.789 0.621 126 HH2 TRP 13 2HH TRP 13 -6.927 -6.445 -1.408 127 H PHE 14 H PHE 14 -3.073 -8.133 3.848 128 HA PHE 14 HA PHE 14 -3.569 -5.528 3.090 129 HB2 PHE 14 2HB PHE 14 -5.163 -6.760 4.424 130 HB3 PHE 14 3HB PHE 14 -4.030 -6.852 5.769 131 HD1 PHE 14 1HD PHE 14 -5.263 -4.082 3.590 132 HD2 PHE 14 2HD PHE 14 -4.725 -5.579 7.537 133 HE1 PHE 14 1HE PHE 14 -6.188 -1.993 4.504 134 HE2 PHE 14 2HE PHE 14 -5.649 -3.493 8.458 135 HZ PHE 14 HZ PHE 14 -6.384 -1.697 6.941 136 H ASP 15 H ASP 15 -1.172 -6.758 5.297 137 HA ASP 15 HA ASP 15 -0.541 -4.253 6.514 138 HB2 ASP 15 1HB ASP 15 -0.047 -6.637 7.384 139 HB3 ASP 15 2HB ASP 15 1.361 -6.576 6.328 140 H ILE 16 H ILE 16 1.211 -6.257 4.137 141 HA ILE 16 HA ILE 16 3.252 -4.475 3.559 142 HB ILE 16 HB ILE 16 1.926 -6.408 1.653 143 HG12 ILE 16 1HG1 ILE 16 4.475 -6.859 3.189 144 HG13 ILE 16 2HG1 ILE 16 2.909 -7.252 3.890 145 HG21 ILE 16 1HG2 ILE 16 4.113 -4.531 1.331 146 HG22 ILE 16 2HG2 ILE 16 4.605 -6.191 0.997 147 HG23 ILE 16 3HG2 ILE 16 3.250 -5.480 0.120 148 HD11 ILE 16 3HD1 ILE 16 3.609 -9.259 2.989 149 HD12 ILE 16 1HD1 ILE 16 2.544 -8.618 1.739 150 HD13 ILE 16 2HD1 ILE 16 4.293 -8.493 1.555 151 H THR 17 H THR 17 -0.021 -4.627 2.275 152 HA THR 17 HA THR 17 0.470 -2.495 0.376 153 HB THR 17 HB THR 17 -1.106 -4.365 -0.131 154 HG1 THR 17 1HG THR 17 -2.337 -1.793 -0.086 155 HG21 THR 17 3HG2 THR 17 -2.068 -4.387 2.222 156 HG22 THR 17 1HG2 THR 17 -3.228 -4.523 0.902 157 HG23 THR 17 2HG2 THR 17 -3.021 -2.984 1.738 158 H ASN 18 H ASN 18 -0.457 -2.779 3.641 159 HA ASN 18 HA ASN 18 -2.220 -0.700 4.057 160 HB2 ASN 18 1HB ASN 18 -0.897 -2.404 5.688 161 HB3 ASN 18 2HB ASN 18 -0.022 -0.914 6.029 162 HD21 ASN 18 2HD2 ASN 18 -3.423 -1.667 5.356 163 HD22 ASN 18 1HD2 ASN 18 -4.048 -0.904 6.775 164 H TRP 19 H TRP 19 1.338 -0.493 4.209 165 HA TRP 19 HA TRP 19 1.240 2.394 4.230 166 HB2 TRP 19 2HB TRP 19 3.570 2.334 4.591 167 HB3 TRP 19 3HB TRP 19 2.948 0.934 5.460 168 HD1 TRP 19 1HD TRP 19 2.962 -1.396 3.651 169 HE1 TRP 19 1HE TRP 19 5.025 -2.220 2.351 170 HE3 TRP 19 3HE TRP 19 5.713 2.913 3.681 171 HZ2 TRP 19 2HZ TRP 19 7.493 -1.179 1.457 172 HZ3 TRP 19 3HZ TRP 19 7.914 2.915 2.581 173 HH2 TRP 19 2HH TRP 19 8.784 0.909 1.493 174 H LEU 20 H LEU 20 1.814 -0.161 1.924 175 HA LEU 20 HA LEU 20 3.101 1.243 -0.103 176 HB2 LEU 20 1HB LEU 20 2.492 -1.262 0.104 177 HB3 LEU 20 2HB LEU 20 0.987 -0.797 -0.688 178 HG LEU 20 HG LEU 20 2.381 0.107 -2.577 179 HD11 LEU 20 1HD1 LEU 20 4.484 0.366 -1.403 180 HD12 LEU 20 2HD1 LEU 20 4.679 -0.739 -2.762 181 HD13 LEU 20 3HD1 LEU 20 4.568 -1.373 -1.121 182 HD21 LEU 20 3HD2 LEU 20 1.245 -2.157 -2.493 183 HD22 LEU 20 1HD2 LEU 20 2.828 -2.828 -2.098 184 HD23 LEU 20 2HD2 LEU 20 2.582 -1.993 -3.632 185 H TRP 21 H TRP 21 -0.171 1.408 0.991 186 HA TRP 21 HA TRP 21 -1.439 2.395 -1.300 187 HB2 TRP 21 2HB TRP 21 -2.633 1.654 0.737 188 HB3 TRP 21 3HB TRP 21 -2.036 3.075 1.588 189 HD1 TRP 21 1HD TRP 21 -4.800 1.926 -0.666 190 HE1 TRP 21 1HE TRP 21 -6.377 3.893 -1.183 191 HE3 TRP 21 3HE TRP 21 -1.958 5.750 1.188 192 HZ2 TRP 21 2HZ TRP 21 -6.410 6.697 -0.849 193 HZ3 TRP 21 3HZ TRP 21 -2.835 8.045 1.050 194 HH2 TRP 21 2HH TRP 21 -5.015 8.506 0.051 195 H TYR 22 H TYR 22 0.388 4.046 1.230 196 HA TYR 22 HA TYR 22 -0.172 6.679 0.339 197 HB2 TYR 22 2HB TYR 22 1.114 5.544 2.524 198 HB3 TYR 22 3HB TYR 22 2.402 6.389 1.671 199 HD1 TYR 22 2HD TYR 22 0.840 8.689 0.568 200 HD2 TYR 22 1HD TYR 22 0.806 6.888 4.422 201 HE1 TYR 22 2HE TYR 22 0.098 10.818 1.550 202 HE2 TYR 22 1HE TYR 22 0.063 9.011 5.415 203 HH TYR 22 HH TYR 22 -1.294 11.398 3.848 204 H ILE 23 H ILE 23 2.394 4.368 -0.363 205 HA ILE 23 HA ILE 23 4.208 5.960 -1.692 206 HB ILE 23 HB ILE 23 3.408 3.098 -2.058 207 HG12 ILE 23 1HG1 ILE 23 5.792 2.775 -1.343 208 HG13 ILE 23 2HG1 ILE 23 5.918 4.519 -1.148 209 HG21 ILE 23 1HG2 ILE 23 5.444 2.961 -3.610 210 HG22 ILE 23 2HG2 ILE 23 3.939 3.587 -4.279 211 HG23 ILE 23 3HG2 ILE 23 5.230 4.698 -3.824 212 HD11 ILE 23 3HD1 ILE 23 5.378 2.939 0.877 213 HD12 ILE 23 1HD1 ILE 23 4.643 4.536 0.738 214 HD13 ILE 23 2HD1 ILE 23 3.731 3.101 0.269 215 H LYS 24 H LYS 24 1.445 4.230 -3.134 216 HA LYS 24 HA LYS 24 1.736 5.075 -5.750 217 HB2 LYS 24 1HB LYS 24 -0.384 3.936 -4.120 218 HB3 LYS 24 2HB LYS 24 -1.019 5.036 -5.336 219 HG2 LYS 24 1HG LYS 24 -0.961 2.749 -6.155 220 HG3 LYS 24 2HG LYS 24 0.123 3.786 -7.085 221 HD2 LYS 24 1HD LYS 24 1.253 1.718 -6.651 222 HD3 LYS 24 2HD LYS 24 2.005 2.972 -5.663 223 HE2 LYS 24 1HE LYS 24 1.621 1.755 -3.848 224 HE3 LYS 24 2HE LYS 24 -0.112 1.857 -4.154 225 HZ1 LYS 24 3HZ LYS 24 0.344 -0.410 -4.086 226 HZ2 LYS 24 1HZ LYS 24 1.776 -0.262 -4.975 227 HZ3 LYS 24 2HZ LYS 24 0.281 -0.073 -5.742 228 H LEU 25 H LEU 25 0.444 6.793 -2.993 229 HA LEU 25 HA LEU 25 -0.674 8.941 -4.533 230 HB2 LEU 25 1HB LEU 25 -0.332 8.294 -1.669 231 HB3 LEU 25 2HB LEU 25 -0.457 10.002 -2.081 232 HG LEU 25 HG LEU 25 -2.610 8.994 -1.408 233 HD11 LEU 25 1HD1 LEU 25 -2.503 10.942 -2.914 234 HD12 LEU 25 2HD1 LEU 25 -3.918 9.932 -3.207 235 HD13 LEU 25 3HD1 LEU 25 -2.535 9.850 -4.298 236 HD21 LEU 25 3HD2 LEU 25 -2.678 7.521 -4.006 237 HD22 LEU 25 1HD2 LEU 25 -3.636 7.273 -2.546 238 HD23 LEU 25 2HD2 LEU 25 -1.946 6.768 -2.588 239 H PHE 26 H PHE 26 2.390 8.246 -3.020 240 HA PHE 26 HA PHE 26 3.414 10.896 -3.067 241 HB2 PHE 26 2HB PHE 26 4.449 9.337 -1.586 242 HB3 PHE 26 3HB PHE 26 4.748 8.196 -2.892 243 HD1 PHE 26 2HD PHE 26 5.390 11.855 -2.711 244 HD2 PHE 26 1HD PHE 26 7.042 7.944 -3.002 245 HE1 PHE 26 2HE PHE 26 7.625 12.828 -3.043 246 HE2 PHE 26 1HE PHE 26 9.280 8.910 -3.334 247 HZ PHE 26 HZ PHE 26 9.574 11.355 -3.356 248 H ILE 27 H ILE 27 3.330 8.269 -5.372 249 HA ILE 27 HA ILE 27 5.273 9.221 -7.170 250 HB ILE 27 HB ILE 27 2.815 7.592 -7.822 251 HG12 ILE 27 1HG1 ILE 27 5.603 6.633 -7.146 252 HG13 ILE 27 2HG1 ILE 27 4.257 6.636 -6.012 253 HG21 ILE 27 1HG2 ILE 27 4.180 6.782 -9.717 254 HG22 ILE 27 2HG2 ILE 27 3.831 8.508 -9.807 255 HG23 ILE 27 3HG2 ILE 27 5.423 7.957 -9.288 256 HD11 ILE 27 3HD1 ILE 27 3.514 5.316 -8.452 257 HD12 ILE 27 1HD1 ILE 27 4.984 4.612 -7.779 258 HD13 ILE 27 2HD1 ILE 27 3.522 4.705 -6.798 259 H MET 28 H MET 28 1.902 10.027 -6.704 260 HA MET 28 HA MET 28 1.769 11.583 -9.146 261 HB2 MET 28 1HB MET 28 -0.238 11.370 -6.895 262 HB3 MET 28 2HB MET 28 -0.526 12.065 -8.485 263 HG2 MET 28 1HG MET 28 0.154 9.719 -9.352 264 HG3 MET 28 2HG MET 28 -0.195 9.204 -7.702 265 HE1 MET 28 3HE MET 28 -2.674 8.955 -6.719 266 HE2 MET 28 1HE MET 28 -2.459 10.705 -6.643 267 HE3 MET 28 2HE MET 28 -3.954 10.028 -7.290 268 H ILE 29 H ILE 29 1.529 12.244 -5.651 269 HA ILE 29 HA ILE 29 1.344 14.993 -5.730 270 HB ILE 29 HB ILE 29 2.850 13.339 -3.700 271 HG12 ILE 29 1HG1 ILE 29 0.074 14.429 -3.358 272 HG13 ILE 29 2HG1 ILE 29 0.324 12.917 -4.225 273 HG21 ILE 29 1HG2 ILE 29 1.936 15.449 -2.315 274 HG22 ILE 29 2HG2 ILE 29 3.534 15.394 -3.057 275 HG23 ILE 29 3HG2 ILE 29 2.208 16.215 -3.881 276 HD11 ILE 29 3HD1 ILE 29 0.741 13.548 -1.348 277 HD12 ILE 29 1HD1 ILE 29 -0.066 12.171 -2.097 278 HD13 ILE 29 2HD1 ILE 29 1.695 12.271 -2.102 279 H VAL 30 H VAL 30 4.284 13.003 -5.726 280 HA VAL 30 HA VAL 30 6.152 15.085 -5.667 281 HB VAL 30 HB VAL 30 6.686 12.672 -5.328 282 HG11 VAL 30 1HG1 VAL 30 6.679 12.490 -8.334 283 HG12 VAL 30 2HG1 VAL 30 6.977 11.195 -7.172 284 HG13 VAL 30 3HG1 VAL 30 5.366 11.898 -7.317 285 HG21 VAL 30 3HG2 VAL 30 8.591 13.294 -7.425 286 HG22 VAL 30 1HG2 VAL 30 8.245 14.692 -6.405 287 HG23 VAL 30 2HG2 VAL 30 8.827 13.193 -5.680 288 H GLY 31 H GLY 31 4.211 13.817 -8.261 289 HA2 GLY 31 1HA GLY 31 5.775 15.018 -10.364 290 HA3 GLY 31 2HA GLY 31 4.200 14.258 -10.536 291 H LYS 32 H LYS 32 3.296 16.088 -8.239 292 HA LYS 32 HA LYS 32 1.939 17.977 -9.724 293 HB2 LYS 32 1HB LYS 32 2.828 18.168 -6.841 294 HB3 LYS 32 2HB LYS 32 1.601 19.186 -7.586 295 HG2 LYS 32 1HG LYS 32 1.152 16.298 -7.863 296 HG3 LYS 32 2HG LYS 32 1.085 16.918 -6.212 297 HD2 LYS 32 1HD LYS 32 -0.401 18.783 -7.369 298 HD3 LYS 32 2HD LYS 32 -0.680 17.488 -8.536 299 HE2 LYS 32 1HE LYS 32 -2.352 16.964 -7.106 300 HE3 LYS 32 2HE LYS 32 -1.055 16.123 -6.259 301 HZ1 LYS 32 3HZ LYS 32 -1.815 17.335 -4.539 302 HZ2 LYS 32 1HZ LYS 32 -2.494 18.536 -5.519 303 HZ3 LYS 32 2HZ LYS 32 -0.834 18.544 -5.198 304 H LYS 33 H LYS 33 4.795 18.629 -7.685 305 HA LYS 33 HA LYS 33 5.358 20.966 -9.385 306 HB2 LYS 33 1HB LYS 33 4.931 21.363 -6.939 307 HB3 LYS 33 2HB LYS 33 6.387 20.438 -6.594 308 HG2 LYS 33 1HG LYS 33 7.181 22.336 -8.467 309 HG3 LYS 33 2HG LYS 33 6.102 23.198 -7.369 310 HD2 LYS 33 1HD LYS 33 8.150 21.397 -6.185 311 HD3 LYS 33 2HD LYS 33 8.692 22.932 -6.868 312 HE2 LYS 33 1HE LYS 33 8.025 23.982 -5.030 313 HE3 LYS 33 2HE LYS 33 6.372 23.443 -5.321 314 HZ1 LYS 33 3HZ LYS 33 6.761 22.530 -3.285 315 HZ2 LYS 33 1HZ LYS 33 8.415 22.307 -3.555 316 HZ3 LYS 33 2HZ LYS 33 7.295 21.252 -4.257 317 H LYS 34 H LYS 34 6.192 18.951 -10.712 318 HA LYS 34 HA LYS 34 8.833 18.066 -9.921 319 HB2 LYS 34 1HB LYS 34 7.110 16.641 -11.145 320 HB3 LYS 34 2HB LYS 34 7.483 17.592 -12.577 321 HG2 LYS 34 1HG LYS 34 8.803 15.688 -12.792 322 HG3 LYS 34 2HG LYS 34 9.915 16.913 -12.173 323 HD2 LYS 34 1HD LYS 34 9.438 16.015 -9.866 324 HD3 LYS 34 2HD LYS 34 8.591 14.677 -10.647 325 HE2 LYS 34 1HE LYS 34 11.207 15.119 -11.808 326 HE3 LYS 34 2HE LYS 34 11.306 14.831 -10.071 327 HZ1 LYS 34 3HZ LYS 34 9.677 13.071 -11.786 328 HZ2 LYS 34 1HZ LYS 34 10.375 12.741 -10.281 329 HZ3 LYS 34 2HZ LYS 34 11.347 12.834 -11.662 330 H LYS 35 H LYS 35 7.384 20.254 -12.270 331 HA LYS 35 HA LYS 35 9.629 20.814 -13.824 332 HB2 LYS 35 1HB LYS 35 7.020 21.704 -13.722 333 HB3 LYS 35 2HB LYS 35 7.936 23.145 -13.301 334 HG2 LYS 35 1HG LYS 35 8.593 21.485 -15.714 335 HG3 LYS 35 2HG LYS 35 7.401 22.786 -15.755 336 HD2 LYS 35 1HD LYS 35 9.679 23.835 -14.481 337 HD3 LYS 35 2HD LYS 35 10.264 22.941 -15.886 338 HE2 LYS 35 1HE LYS 35 8.108 24.273 -16.907 339 HE3 LYS 35 2HE LYS 35 8.730 25.432 -15.735 340 HZ1 LYS 35 3HZ LYS 35 9.638 25.298 -18.197 341 HZ2 LYS 35 1HZ LYS 35 10.667 24.150 -17.501 342 HZ3 LYS 35 2HZ LYS 35 10.633 25.730 -16.899 343 H LYS 36 H LYS 36 11.520 21.678 -13.315 344 HA LYS 36 HA LYS 36 12.160 22.687 -10.780 345 HB2 LYS 36 1HB LYS 36 13.545 22.811 -13.448 346 HB3 LYS 36 2HB LYS 36 14.230 23.592 -12.029 347 HG2 LYS 36 1HG LYS 36 13.528 20.669 -12.172 348 HG3 LYS 36 2HG LYS 36 15.136 21.325 -12.494 349 HD2 LYS 36 1HD LYS 36 14.122 22.347 -10.005 350 HD3 LYS 36 2HD LYS 36 14.049 20.584 -10.014 351 HE2 LYS 36 1HE LYS 36 16.342 20.365 -10.283 352 HE3 LYS 36 2HE LYS 36 16.523 21.993 -10.932 353 HZ1 LYS 36 3HZ LYS 36 16.520 21.094 -8.189 354 HZ2 LYS 36 1HZ LYS 36 15.586 22.478 -8.463 355 HZ3 LYS 36 2HZ LYS 36 17.227 22.468 -8.876 Start of MODEL 6 1 H1 LYS 1 H LYS 1 -6.373 -28.448 -2.278 2 HA LYS 1 HA LYS 1 -6.060 -25.944 -3.710 3 HB2 LYS 1 1HB LYS 1 -7.417 -27.602 -4.784 4 HB3 LYS 1 2HB LYS 1 -8.394 -27.822 -3.339 5 HG2 LYS 1 1HG LYS 1 -9.720 -26.089 -3.825 6 HG3 LYS 1 2HG LYS 1 -8.373 -25.081 -4.359 7 HD2 LYS 1 1HD LYS 1 -8.940 -27.318 -6.149 8 HD3 LYS 1 2HD LYS 1 -10.285 -26.186 -5.987 9 HE2 LYS 1 1HE LYS 1 -9.203 -24.561 -7.098 10 HE3 LYS 1 2HE LYS 1 -7.667 -24.912 -6.309 11 HZ1 LYS 1 3HZ LYS 1 -8.607 -25.728 -8.874 12 HZ2 LYS 1 1HZ LYS 1 -8.107 -27.054 -7.951 13 HZ3 LYS 1 2HZ LYS 1 -7.039 -25.774 -8.240 14 H LYS 2 H LYS 2 -7.674 -27.163 -0.821 15 HA LYS 2 HA LYS 2 -8.244 -24.375 -0.055 16 HB2 LYS 2 1HB LYS 2 -9.861 -26.866 0.494 17 HB3 LYS 2 2HB LYS 2 -10.143 -25.328 1.300 18 HG2 LYS 2 1HG LYS 2 -10.622 -24.282 -0.853 19 HG3 LYS 2 2HG LYS 2 -10.332 -25.823 -1.665 20 HD2 LYS 2 1HD LYS 2 -12.149 -26.700 0.005 21 HD3 LYS 2 2HD LYS 2 -12.601 -24.995 0.093 22 HE2 LYS 2 1HE LYS 2 -13.902 -25.553 -1.669 23 HE3 LYS 2 2HE LYS 2 -12.413 -25.271 -2.568 24 HZ1 LYS 2 3HZ LYS 2 -13.646 -27.414 -3.034 25 HZ2 LYS 2 1HZ LYS 2 -13.122 -27.943 -1.515 26 HZ3 LYS 2 2HZ LYS 2 -11.991 -27.554 -2.711 27 H LYS 3 H LYS 3 -5.855 -25.980 0.463 28 HA LYS 3 HA LYS 3 -5.899 -26.908 3.152 29 HB2 LYS 3 1HB LYS 3 -4.124 -27.058 1.034 30 HB3 LYS 3 2HB LYS 3 -3.292 -26.015 2.181 31 HG2 LYS 3 1HG LYS 3 -2.946 -27.683 3.652 32 HG3 LYS 3 2HG LYS 3 -4.500 -28.448 3.315 33 HD2 LYS 3 1HD LYS 3 -2.953 -29.980 2.486 34 HD3 LYS 3 2HD LYS 3 -3.448 -29.084 1.048 35 HE2 LYS 3 1HE LYS 3 -1.450 -27.890 0.957 36 HE3 LYS 3 2HE LYS 3 -1.060 -28.229 2.643 37 HZ1 LYS 3 3HZ LYS 3 -1.241 -30.674 1.334 38 HZ2 LYS 3 1HZ LYS 3 0.148 -29.930 1.951 39 HZ3 LYS 3 2HZ LYS 3 -0.309 -29.668 0.344 40 H LYS 4 H LYS 4 -4.187 -24.095 1.773 41 HA LYS 4 HA LYS 4 -3.908 -22.873 4.352 42 HB2 LYS 4 1HB LYS 4 -3.205 -22.091 1.545 43 HB3 LYS 4 2HB LYS 4 -3.150 -20.888 2.827 44 HG2 LYS 4 1HG LYS 4 -1.694 -23.507 3.012 45 HG3 LYS 4 2HG LYS 4 -0.983 -22.069 2.275 46 HD2 LYS 4 1HD LYS 4 -1.730 -20.940 4.527 47 HD3 LYS 4 2HD LYS 4 -1.681 -22.600 5.125 48 HE2 LYS 4 1HE LYS 4 0.627 -22.816 4.482 49 HE3 LYS 4 2HE LYS 4 0.599 -21.237 3.698 50 HZ1 LYS 4 3HZ LYS 4 -0.142 -20.529 6.123 51 HZ2 LYS 4 1HZ LYS 4 1.486 -20.639 5.675 52 HZ3 LYS 4 2HZ LYS 4 0.759 -21.902 6.534 53 H ASP 5 H ASP 5 -4.776 -20.826 4.982 54 HA ASP 5 HA ASP 5 -7.490 -20.418 3.962 55 HB2 ASP 5 1HB ASP 5 -6.116 -19.859 6.552 56 HB3 ASP 5 2HB ASP 5 -7.484 -18.845 6.097 57 H LYS 6 H LYS 6 -7.714 -18.928 2.440 58 HA LYS 6 HA LYS 6 -5.852 -17.028 1.674 59 HB2 LYS 6 1HB LYS 6 -7.712 -15.918 0.481 60 HB3 LYS 6 2HB LYS 6 -7.696 -17.660 0.233 61 HG2 LYS 6 1HG LYS 6 -9.840 -17.652 0.791 62 HG3 LYS 6 2HG LYS 6 -9.330 -17.301 2.445 63 HD2 LYS 6 1HD LYS 6 -10.714 -15.525 2.143 64 HD3 LYS 6 2HD LYS 6 -9.249 -14.824 1.451 65 HE2 LYS 6 1HE LYS 6 -10.137 -15.896 -0.761 66 HE3 LYS 6 2HE LYS 6 -11.685 -15.879 0.081 67 HZ1 LYS 6 3HZ LYS 6 -11.648 -13.562 0.239 68 HZ2 LYS 6 1HZ LYS 6 -11.117 -13.875 -1.335 69 HZ3 LYS 6 2HZ LYS 6 -10.002 -13.457 -0.134 70 H TRP 7 H TRP 7 -8.362 -16.838 4.114 71 HA TRP 7 HA TRP 7 -8.312 -14.050 4.519 72 HB2 TRP 7 2HB TRP 7 -9.036 -16.316 6.386 73 HB3 TRP 7 3HB TRP 7 -9.280 -14.614 6.770 74 HD1 TRP 7 1HD TRP 7 -11.253 -17.372 5.705 75 HE1 TRP 7 1HE TRP 7 -13.301 -16.654 4.322 76 HE3 TRP 7 3HE TRP 7 -9.818 -12.604 4.546 77 HZ2 TRP 7 2HZ TRP 7 -14.190 -14.370 2.922 78 HZ3 TRP 7 3HZ TRP 7 -11.326 -11.218 3.180 79 HH2 TRP 7 2HH TRP 7 -13.466 -12.084 2.386 80 H ALA 8 H ALA 8 -6.512 -16.692 6.056 81 HA ALA 8 HA ALA 8 -5.175 -15.227 8.006 82 HB1 ALA 8 3HB ALA 8 -3.350 -17.151 7.173 83 HB2 ALA 8 1HB ALA 8 -4.565 -17.319 8.441 84 HB3 ALA 8 2HB ALA 8 -4.930 -17.837 6.794 85 H SER 9 H SER 9 -4.348 -15.766 4.610 86 HA SER 9 HA SER 9 -1.819 -14.484 4.719 87 HB2 SER 9 1HB SER 9 -3.651 -14.978 2.360 88 HB3 SER 9 2HB SER 9 -1.965 -14.471 2.247 89 HG SER 9 HG SER 9 -2.437 -16.807 2.070 90 H LEU 10 H LEU 10 -5.075 -13.344 4.383 91 HA LEU 10 HA LEU 10 -4.688 -10.886 3.150 92 HB2 LEU 10 1HB LEU 10 -6.857 -12.050 3.863 93 HB3 LEU 10 2HB LEU 10 -6.602 -11.281 5.428 94 HG LEU 10 HG LEU 10 -6.736 -9.676 2.892 95 HD11 LEU 10 1HD1 LEU 10 -8.785 -11.245 3.470 96 HD12 LEU 10 2HD1 LEU 10 -9.012 -9.591 2.900 97 HD13 LEU 10 3HD1 LEU 10 -9.133 -9.955 4.621 98 HD21 LEU 10 3HD2 LEU 10 -7.840 -8.388 5.149 99 HD22 LEU 10 1HD2 LEU 10 -6.347 -8.001 4.292 100 HD23 LEU 10 2HD2 LEU 10 -6.316 -9.117 5.658 101 H TRP 11 H TRP 11 -3.971 -11.909 6.400 102 HA TRP 11 HA TRP 11 -3.643 -9.281 7.482 103 HB2 TRP 11 2HB TRP 11 -2.337 -11.741 8.612 104 HB3 TRP 11 3HB TRP 11 -2.964 -10.333 9.463 105 HD1 TRP 11 1HD TRP 11 -3.756 -13.620 9.700 106 HE1 TRP 11 1HE TRP 11 -6.273 -14.150 9.800 107 HE3 TRP 11 3HE TRP 11 -5.584 -9.249 7.779 108 HZ2 TRP 11 2HZ TRP 11 -8.710 -12.883 9.151 109 HZ3 TRP 11 3HZ TRP 11 -8.019 -8.988 7.551 110 HH2 TRP 11 2HH TRP 11 -9.549 -10.769 8.222 111 H ASN 12 H ASN 12 -1.568 -11.601 5.884 112 HA ASN 12 HA ASN 12 0.837 -10.095 6.475 113 HB2 ASN 12 1HB ASN 12 0.295 -12.597 4.878 114 HB3 ASN 12 2HB ASN 12 1.880 -11.831 4.915 115 HD21 ASN 12 2HD2 ASN 12 -0.621 -13.259 6.938 116 HD22 ASN 12 1HD2 ASN 12 0.441 -13.784 8.196 117 H TRP 13 H TRP 13 -1.538 -10.301 3.984 118 HA TRP 13 HA TRP 13 0.128 -9.037 1.979 119 HB2 TRP 13 2HB TRP 13 -1.459 -10.628 1.154 120 HB3 TRP 13 3HB TRP 13 -2.780 -9.850 2.021 121 HD1 TRP 13 1HD TRP 13 -0.203 -8.586 -0.611 122 HE1 TRP 13 1HE TRP 13 -1.493 -7.232 -2.380 123 HE3 TRP 13 3HE TRP 13 -4.924 -9.056 1.293 124 HZ2 TRP 13 2HZ TRP 13 -4.159 -6.465 -2.898 125 HZ3 TRP 13 3HZ TRP 13 -6.788 -7.982 0.101 126 HH2 TRP 13 2HH TRP 13 -6.412 -6.713 -1.951 127 H PHE 14 H PHE 14 -2.915 -8.183 3.638 128 HA PHE 14 HA PHE 14 -3.083 -5.555 2.750 129 HB2 PHE 14 2HB PHE 14 -4.949 -6.629 3.862 130 HB3 PHE 14 3HB PHE 14 -4.028 -6.764 5.356 131 HD1 PHE 14 2HD PHE 14 -4.421 -3.889 3.028 132 HD2 PHE 14 1HD PHE 14 -5.141 -5.473 6.913 133 HE1 PHE 14 2HE PHE 14 -5.285 -1.703 3.755 134 HE2 PHE 14 1HE PHE 14 -6.008 -3.289 7.646 135 HZ PHE 14 HZ PHE 14 -6.080 -1.401 6.067 136 H ASP 15 H ASP 15 -1.048 -6.969 5.165 137 HA ASP 15 HA ASP 15 -0.400 -4.549 6.537 138 HB2 ASP 15 1HB ASP 15 0.626 -7.347 6.527 139 HB3 ASP 15 2HB ASP 15 1.677 -6.089 7.171 140 H ILE 16 H ILE 16 0.732 -6.120 3.665 141 HA ILE 16 HA ILE 16 3.179 -4.574 3.531 142 HB ILE 16 HB ILE 16 1.925 -6.403 1.481 143 HG12 ILE 16 1HG1 ILE 16 4.351 -6.979 3.165 144 HG13 ILE 16 2HG1 ILE 16 2.731 -7.354 3.741 145 HG21 ILE 16 1HG2 ILE 16 3.357 -5.417 0.079 146 HG22 ILE 16 2HG2 ILE 16 4.216 -4.609 1.390 147 HG23 ILE 16 3HG2 ILE 16 4.620 -6.272 0.965 148 HD11 ILE 16 3HD1 ILE 16 3.995 -9.236 2.653 149 HD12 ILE 16 1HD1 ILE 16 2.382 -8.920 2.016 150 HD13 ILE 16 2HD1 ILE 16 3.803 -8.370 1.129 151 H THR 17 H THR 17 -0.006 -4.601 2.025 152 HA THR 17 HA THR 17 0.663 -2.409 0.251 153 HB THR 17 HB THR 17 -0.902 -4.225 -0.446 154 HG1 THR 17 1HG THR 17 -1.508 -2.676 -1.743 155 HG21 THR 17 3HG2 THR 17 -2.033 -4.051 1.956 156 HG22 THR 17 1HG2 THR 17 -2.926 -4.607 0.542 157 HG23 THR 17 2HG2 THR 17 -3.095 -2.940 1.092 158 H ASN 18 H ASN 18 -0.498 -2.797 3.428 159 HA ASN 18 HA ASN 18 -2.258 -0.715 3.807 160 HB2 ASN 18 1HB ASN 18 -0.625 -2.378 5.458 161 HB3 ASN 18 2HB ASN 18 -0.483 -0.718 6.031 162 HD21 ASN 18 2HD2 ASN 18 -2.704 0.440 6.043 163 HD22 ASN 18 1HD2 ASN 18 -3.982 -0.449 6.790 164 H TRP 19 H TRP 19 1.285 -0.545 4.184 165 HA TRP 19 HA TRP 19 1.212 2.337 4.310 166 HB2 TRP 19 2HB TRP 19 3.526 2.237 4.774 167 HB3 TRP 19 3HB TRP 19 2.842 0.821 5.566 168 HD1 TRP 19 1HD TRP 19 2.935 -1.470 3.742 169 HE1 TRP 19 1HE TRP 19 5.038 -2.279 2.497 170 HE3 TRP 19 3HE TRP 19 5.686 2.836 3.912 171 HZ2 TRP 19 2HZ TRP 19 7.533 -1.231 1.694 172 HZ3 TRP 19 3HZ TRP 19 7.920 2.849 2.882 173 HH2 TRP 19 2HH TRP 19 8.823 0.857 1.797 174 H LEU 20 H LEU 20 1.908 -0.129 1.935 175 HA LEU 20 HA LEU 20 3.266 1.418 0.038 176 HB2 LEU 20 1HB LEU 20 2.241 -1.187 0.218 177 HB3 LEU 20 2HB LEU 20 1.511 -0.480 -1.222 178 HG LEU 20 HG LEU 20 4.451 -0.826 -0.651 179 HD11 LEU 20 1HD1 LEU 20 4.414 -2.311 -2.547 180 HD12 LEU 20 2HD1 LEU 20 2.705 -1.976 -2.822 181 HD13 LEU 20 3HD1 LEU 20 3.211 -2.839 -1.369 182 HD21 LEU 20 3HD2 LEU 20 3.018 0.925 -2.538 183 HD22 LEU 20 1HD2 LEU 20 4.336 -0.028 -3.221 184 HD23 LEU 20 2HD2 LEU 20 4.644 1.062 -1.868 185 H TRP 21 H TRP 21 -0.028 1.428 1.000 186 HA TRP 21 HA TRP 21 -1.274 2.344 -1.335 187 HB2 TRP 21 2HB TRP 21 -2.490 1.555 0.671 188 HB3 TRP 21 3HB TRP 21 -1.986 3.010 1.529 189 HD1 TRP 21 1HD TRP 21 -4.624 1.713 -0.799 190 HE1 TRP 21 1HE TRP 21 -6.276 3.599 -1.378 191 HE3 TRP 21 3HE TRP 21 -2.028 5.682 1.112 192 HZ2 TRP 21 2HZ TRP 21 -6.456 6.399 -1.067 193 HZ3 TRP 21 3HZ TRP 21 -3.009 7.930 0.929 194 HH2 TRP 21 2HH TRP 21 -5.177 8.280 -0.138 195 H TYR 22 H TYR 22 0.356 4.097 1.268 196 HA TYR 22 HA TYR 22 -0.280 6.693 0.336 197 HB2 TYR 22 2HB TYR 22 0.980 5.626 2.571 198 HB3 TYR 22 3HB TYR 22 2.257 6.527 1.760 199 HD1 TYR 22 1HD TYR 22 0.632 8.749 0.591 200 HD2 TYR 22 2HD TYR 22 0.542 6.959 4.450 201 HE1 TYR 22 1HE TYR 22 -0.243 10.844 1.536 202 HE2 TYR 22 2HE TYR 22 -0.335 9.049 5.406 203 HH TYR 22 HH TYR 22 -0.881 11.912 3.372 204 H ILE 23 H ILE 23 2.414 4.502 -0.266 205 HA ILE 23 HA ILE 23 4.197 6.175 -1.537 206 HB ILE 23 HB ILE 23 3.549 3.277 -1.916 207 HG12 ILE 23 1HG1 ILE 23 5.919 3.071 -1.116 208 HG13 ILE 23 2HG1 ILE 23 5.953 4.821 -0.924 209 HG21 ILE 23 1HG2 ILE 23 4.148 3.708 -4.109 210 HG22 ILE 23 2HG2 ILE 23 5.285 4.978 -3.656 211 HG23 ILE 23 3HG2 ILE 23 5.694 3.286 -3.373 212 HD11 ILE 23 3HD1 ILE 23 4.611 4.782 0.913 213 HD12 ILE 23 1HD1 ILE 23 3.786 3.304 0.420 214 HD13 ILE 23 2HD1 ILE 23 5.417 3.223 1.089 215 H LYS 24 H LYS 24 1.566 4.315 -3.060 216 HA LYS 24 HA LYS 24 1.911 5.160 -5.672 217 HB2 LYS 24 1HB LYS 24 -0.273 4.007 -4.090 218 HB3 LYS 24 2HB LYS 24 -0.824 4.975 -5.451 219 HG2 LYS 24 1HG LYS 24 0.334 3.614 -7.005 220 HG3 LYS 24 2HG LYS 24 1.214 2.783 -5.721 221 HD2 LYS 24 1HD LYS 24 -1.676 2.620 -5.400 222 HD3 LYS 24 2HD LYS 24 -1.116 1.919 -6.921 223 HE2 LYS 24 1HE LYS 24 0.261 1.258 -4.347 224 HE3 LYS 24 2HE LYS 24 -1.234 0.437 -4.792 225 HZ1 LYS 24 3HZ LYS 24 -0.247 -0.599 -6.563 226 HZ2 LYS 24 1HZ LYS 24 1.056 -0.543 -5.484 227 HZ3 LYS 24 2HZ LYS 24 0.954 0.577 -6.746 228 H LEU 25 H LEU 25 0.458 6.831 -2.968 229 HA LEU 25 HA LEU 25 -0.710 8.916 -4.561 230 HB2 LEU 25 1HB LEU 25 -0.441 8.296 -1.682 231 HB3 LEU 25 2HB LEU 25 -0.629 9.995 -2.107 232 HG LEU 25 HG LEU 25 -2.757 8.891 -1.506 233 HD11 LEU 25 1HD1 LEU 25 -4.041 9.809 -3.298 234 HD12 LEU 25 2HD1 LEU 25 -2.674 9.700 -4.405 235 HD13 LEU 25 3HD1 LEU 25 -2.627 10.836 -3.058 236 HD21 LEU 25 3HD2 LEU 25 -2.657 7.408 -4.098 237 HD22 LEU 25 1HD2 LEU 25 -3.666 7.124 -2.679 238 HD23 LEU 25 2HD2 LEU 25 -1.956 6.693 -2.646 239 H PHE 26 H PHE 26 2.331 8.363 -2.954 240 HA PHE 26 HA PHE 26 3.230 11.061 -2.975 241 HB2 PHE 26 2HB PHE 26 4.284 9.562 -1.447 242 HB3 PHE 26 3HB PHE 26 4.679 8.426 -2.732 243 HD1 PHE 26 2HD PHE 26 5.148 12.113 -2.563 244 HD2 PHE 26 1HD PHE 26 6.986 8.278 -2.758 245 HE1 PHE 26 2HE PHE 26 7.347 13.183 -2.826 246 HE2 PHE 26 1HE PHE 26 9.188 9.343 -3.019 247 HZ PHE 26 HZ PHE 26 9.371 11.798 -3.056 248 H ILE 27 H ILE 27 3.364 8.414 -5.259 249 HA ILE 27 HA ILE 27 5.321 9.441 -6.994 250 HB ILE 27 HB ILE 27 2.954 7.711 -7.722 251 HG12 ILE 27 1HG1 ILE 27 5.754 6.864 -6.953 252 HG13 ILE 27 2HG1 ILE 27 4.377 6.825 -5.857 253 HG21 ILE 27 1HG2 ILE 27 5.616 8.073 -9.095 254 HG22 ILE 27 2HG2 ILE 27 4.325 6.983 -9.597 255 HG23 ILE 27 3HG2 ILE 27 4.075 8.728 -9.649 256 HD11 ILE 27 3HD1 ILE 27 3.833 5.457 -8.352 257 HD12 ILE 27 1HD1 ILE 27 5.225 4.788 -7.501 258 HD13 ILE 27 2HD1 ILE 27 3.662 4.896 -6.688 259 H MET 28 H MET 28 1.924 10.148 -6.621 260 HA MET 28 HA MET 28 1.793 11.660 -9.091 261 HB2 MET 28 1HB MET 28 -0.241 11.391 -6.870 262 HB3 MET 28 2HB MET 28 -0.527 12.112 -8.448 263 HG2 MET 28 1HG MET 28 0.226 9.796 -9.349 264 HG3 MET 28 2HG MET 28 -0.149 9.245 -7.717 265 HE1 MET 28 3HE MET 28 -2.112 9.666 -6.533 266 HE2 MET 28 1HE MET 28 -3.713 10.073 -7.152 267 HE3 MET 28 2HE MET 28 -3.096 8.429 -7.314 268 H ILE 29 H ILE 29 1.447 12.376 -5.616 269 HA ILE 29 HA ILE 29 1.205 15.120 -5.755 270 HB ILE 29 HB ILE 29 2.679 13.533 -3.650 271 HG12 ILE 29 1HG1 ILE 29 -0.074 14.595 -3.262 272 HG13 ILE 29 2HG1 ILE 29 0.110 13.187 -4.302 273 HG21 ILE 29 1HG2 ILE 29 1.715 15.643 -2.320 274 HG22 ILE 29 2HG2 ILE 29 3.320 15.620 -3.051 275 HG23 ILE 29 3HG2 ILE 29 1.978 16.394 -3.894 276 HD11 ILE 29 3HD1 ILE 29 0.543 13.463 -1.382 277 HD12 ILE 29 1HD1 ILE 29 -0.232 12.171 -2.297 278 HD13 ILE 29 2HD1 ILE 29 1.526 12.299 -2.270 279 H VAL 30 H VAL 30 4.155 13.168 -5.766 280 HA VAL 30 HA VAL 30 5.972 15.338 -5.682 281 HB VAL 30 HB VAL 30 6.572 12.972 -5.161 282 HG11 VAL 30 1HG1 VAL 30 5.350 12.048 -7.168 283 HG12 VAL 30 2HG1 VAL 30 6.723 12.578 -8.141 284 HG13 VAL 30 3HG1 VAL 30 6.952 11.378 -6.869 285 HG21 VAL 30 3HG2 VAL 30 8.587 13.401 -7.138 286 HG22 VAL 30 1HG2 VAL 30 8.092 14.957 -6.472 287 HG23 VAL 30 2HG2 VAL 30 8.664 13.681 -5.398 288 H GLY 31 H GLY 31 4.229 13.769 -8.271 289 HA2 GLY 31 1HA GLY 31 5.806 14.829 -10.404 290 HA3 GLY 31 2HA GLY 31 4.203 14.119 -10.548 291 H LYS 32 H LYS 32 3.233 16.089 -8.466 292 HA LYS 32 HA LYS 32 2.059 17.949 -10.134 293 HB2 LYS 32 1HB LYS 32 2.706 18.149 -7.190 294 HB3 LYS 32 2HB LYS 32 1.682 19.298 -8.043 295 HG2 LYS 32 1HG LYS 32 0.626 16.806 -8.678 296 HG3 LYS 32 2HG LYS 32 1.038 16.704 -6.965 297 HD2 LYS 32 1HD LYS 32 -0.124 19.058 -6.874 298 HD3 LYS 32 2HD LYS 32 -0.904 18.493 -8.354 299 HE2 LYS 32 1HE LYS 32 -2.402 17.718 -6.817 300 HE3 LYS 32 2HE LYS 32 -1.312 16.334 -6.881 301 HZ1 LYS 32 3HZ LYS 32 -0.128 17.698 -4.980 302 HZ2 LYS 32 1HZ LYS 32 -1.407 16.640 -4.651 303 HZ3 LYS 32 2HZ LYS 32 -1.692 18.304 -4.757 304 H LYS 33 H LYS 33 4.707 18.678 -7.854 305 HA LYS 33 HA LYS 33 5.435 20.973 -9.523 306 HB2 LYS 33 1HB LYS 33 6.328 20.214 -6.735 307 HB3 LYS 33 2HB LYS 33 6.803 21.676 -7.590 308 HG2 LYS 33 1HG LYS 33 4.561 22.503 -7.559 309 HG3 LYS 33 2HG LYS 33 3.955 20.976 -6.914 310 HD2 LYS 33 1HD LYS 33 5.163 21.326 -4.848 311 HD3 LYS 33 2HD LYS 33 5.906 22.791 -5.496 312 HE2 LYS 33 1HE LYS 33 4.037 23.302 -3.993 313 HE3 LYS 33 2HE LYS 33 3.727 23.857 -5.638 314 HZ1 LYS 33 3HZ LYS 33 2.025 22.382 -4.167 315 HZ2 LYS 33 1HZ LYS 33 2.783 21.187 -5.094 316 HZ3 LYS 33 2HZ LYS 33 1.999 22.479 -5.856 317 H LYS 34 H LYS 34 6.355 19.555 -11.166 318 HA LYS 34 HA LYS 34 9.130 18.859 -10.509 319 HB2 LYS 34 1HB LYS 34 7.535 16.840 -10.629 320 HB3 LYS 34 2HB LYS 34 7.485 17.150 -12.359 321 HG2 LYS 34 1HG LYS 34 9.390 16.066 -12.646 322 HG3 LYS 34 2HG LYS 34 10.205 17.122 -11.491 323 HD2 LYS 34 1HD LYS 34 9.925 15.661 -9.751 324 HD3 LYS 34 2HD LYS 34 8.449 14.969 -10.427 325 HE2 LYS 34 1HE LYS 34 10.277 13.359 -10.488 326 HE3 LYS 34 2HE LYS 34 9.771 13.800 -12.118 327 HZ1 LYS 34 3HZ LYS 34 12.324 13.916 -11.074 328 HZ2 LYS 34 1HZ LYS 34 11.827 15.527 -11.220 329 HZ3 LYS 34 2HZ LYS 34 11.806 14.510 -12.571 330 H LYS 35 H LYS 35 10.279 20.280 -11.652 331 HA LYS 35 HA LYS 35 9.584 20.652 -14.491 332 HB2 LYS 35 1HB LYS 35 10.499 22.954 -14.304 333 HB3 LYS 35 2HB LYS 35 9.064 22.698 -13.321 334 HG2 LYS 35 1HG LYS 35 10.290 23.718 -11.742 335 HG3 LYS 35 2HG LYS 35 10.976 22.107 -11.522 336 HD2 LYS 35 1HD LYS 35 12.970 22.699 -12.398 337 HD3 LYS 35 2HD LYS 35 12.237 23.735 -13.626 338 HE2 LYS 35 1HE LYS 35 12.454 25.574 -12.362 339 HE3 LYS 35 2HE LYS 35 11.929 24.741 -10.899 340 HZ1 LYS 35 3HZ LYS 35 14.595 25.272 -11.854 341 HZ2 LYS 35 1HZ LYS 35 14.366 23.677 -11.337 342 HZ3 LYS 35 2HZ LYS 35 14.049 24.961 -10.283 343 H LYS 36 H LYS 36 11.307 20.861 -15.952 344 HA LYS 36 HA LYS 36 13.319 20.255 -16.832 345 HB2 LYS 36 1HB LYS 36 14.407 21.308 -14.215 346 HB3 LYS 36 2HB LYS 36 15.290 21.141 -15.727 347 HG2 LYS 36 1HG LYS 36 12.871 22.898 -15.472 348 HG3 LYS 36 2HG LYS 36 14.500 23.466 -15.103 349 HD2 LYS 36 1HD LYS 36 14.935 22.353 -17.512 350 HD3 LYS 36 2HD LYS 36 13.248 22.835 -17.705 351 HE2 LYS 36 1HE LYS 36 14.080 25.103 -16.723 352 HE3 LYS 36 2HE LYS 36 15.667 24.528 -17.232 353 HZ1 LYS 36 3HZ LYS 36 13.615 24.254 -19.239 354 HZ2 LYS 36 1HZ LYS 36 15.185 24.874 -19.372 355 HZ3 LYS 36 2HZ LYS 36 13.932 25.858 -18.804 Start of MODEL 7 1 H1 LYS 1 H LYS 1 -7.488 -22.974 15.550 2 HA LYS 1 HA LYS 1 -8.938 -24.511 14.547 3 HB2 LYS 1 1HB LYS 1 -11.389 -24.279 14.818 4 HB3 LYS 1 2HB LYS 1 -10.547 -24.432 16.354 5 HG2 LYS 1 1HG LYS 1 -10.977 -21.676 15.433 6 HG3 LYS 1 2HG LYS 1 -12.439 -22.582 15.829 7 HD2 LYS 1 1HD LYS 1 -11.977 -22.602 18.034 8 HD3 LYS 1 2HD LYS 1 -10.250 -22.859 17.770 9 HE2 LYS 1 1HE LYS 1 -9.816 -20.594 17.561 10 HE3 LYS 1 2HE LYS 1 -11.481 -20.211 17.129 11 HZ1 LYS 1 3HZ LYS 1 -12.102 -20.788 19.444 12 HZ2 LYS 1 1HZ LYS 1 -11.076 -19.446 19.334 13 HZ3 LYS 1 2HZ LYS 1 -10.459 -20.946 19.816 14 H LYS 2 H LYS 2 -7.631 -22.564 13.248 15 HA LYS 2 HA LYS 2 -9.596 -21.695 11.242 16 HB2 LYS 2 1HB LYS 2 -7.256 -20.021 12.170 17 HB3 LYS 2 2HB LYS 2 -8.462 -19.569 10.971 18 HG2 LYS 2 1HG LYS 2 -9.891 -20.233 13.289 19 HG3 LYS 2 2HG LYS 2 -8.521 -19.254 13.817 20 HD2 LYS 2 1HD LYS 2 -9.217 -17.731 11.805 21 HD3 LYS 2 2HD LYS 2 -10.773 -18.544 11.987 22 HE2 LYS 2 1HE LYS 2 -9.313 -17.141 14.221 23 HE3 LYS 2 2HE LYS 2 -10.583 -16.401 13.247 24 HZ1 LYS 2 3HZ LYS 2 -12.065 -18.223 13.990 25 HZ2 LYS 2 1HZ LYS 2 -11.544 -17.223 15.250 26 HZ3 LYS 2 2HZ LYS 2 -10.849 -18.750 15.041 27 H LYS 3 H LYS 3 -6.147 -22.184 11.947 28 HA LYS 3 HA LYS 3 -4.427 -22.966 10.682 29 HB2 LYS 3 1HB LYS 3 -6.599 -24.642 10.201 30 HB3 LYS 3 2HB LYS 3 -5.982 -24.266 8.598 31 HG2 LYS 3 1HG LYS 3 -3.711 -24.944 9.422 32 HG3 LYS 3 2HG LYS 3 -4.500 -25.532 10.887 33 HD2 LYS 3 1HD LYS 3 -5.183 -27.397 9.868 34 HD3 LYS 3 2HD LYS 3 -5.821 -26.493 8.493 35 HE2 LYS 3 1HE LYS 3 -3.224 -26.271 7.950 36 HE3 LYS 3 2HE LYS 3 -3.171 -27.773 8.872 37 HZ1 LYS 3 3HZ LYS 3 -5.018 -27.350 6.593 38 HZ2 LYS 3 1HZ LYS 3 -4.631 -28.808 7.358 39 HZ3 LYS 3 2HZ LYS 3 -3.474 -28.016 6.411 40 H LYS 4 H LYS 4 -3.665 -23.158 8.249 41 HA LYS 4 HA LYS 4 -3.518 -20.594 7.207 42 HB2 LYS 4 1HB LYS 4 -3.203 -23.186 5.681 43 HB3 LYS 4 2HB LYS 4 -2.573 -21.618 5.198 44 HG2 LYS 4 1HG LYS 4 -1.357 -21.722 7.508 45 HG3 LYS 4 2HG LYS 4 -1.636 -23.458 7.342 46 HD2 LYS 4 1HD LYS 4 -0.210 -23.657 5.572 47 HD3 LYS 4 2HD LYS 4 -0.519 -22.016 5.000 48 HE2 LYS 4 1HE LYS 4 1.322 -21.298 6.012 49 HE3 LYS 4 2HE LYS 4 0.713 -21.871 7.564 50 HZ1 LYS 4 3HZ LYS 4 2.024 -23.665 7.502 51 HZ2 LYS 4 1HZ LYS 4 2.918 -22.806 6.352 52 HZ3 LYS 4 2HZ LYS 4 1.770 -23.942 5.853 53 H ASP 5 H ASP 5 -4.952 -19.359 6.207 54 HA ASP 5 HA ASP 5 -6.915 -20.589 4.418 55 HB2 ASP 5 1HB ASP 5 -7.498 -19.245 6.956 56 HB3 ASP 5 2HB ASP 5 -8.390 -18.579 5.590 57 H LYS 6 H LYS 6 -7.998 -18.974 3.020 58 HA LYS 6 HA LYS 6 -6.130 -17.316 1.748 59 HB2 LYS 6 1HB LYS 6 -8.141 -16.398 0.536 60 HB3 LYS 6 2HB LYS 6 -7.965 -18.148 0.475 61 HG2 LYS 6 1HG LYS 6 -10.025 -18.360 1.245 62 HG3 LYS 6 2HG LYS 6 -9.536 -17.561 2.741 63 HD2 LYS 6 1HD LYS 6 -11.434 -16.412 1.756 64 HD3 LYS 6 2HD LYS 6 -10.005 -15.378 1.705 65 HE2 LYS 6 1HE LYS 6 -11.359 -15.368 -0.391 66 HE3 LYS 6 2HE LYS 6 -9.674 -15.836 -0.618 67 HZ1 LYS 6 3HZ LYS 6 -10.236 -17.965 -1.117 68 HZ2 LYS 6 1HZ LYS 6 -11.641 -17.203 -1.668 69 HZ3 LYS 6 2HZ LYS 6 -11.628 -17.962 -0.158 70 H TRP 7 H TRP 7 -8.588 -16.630 4.169 71 HA TRP 7 HA TRP 7 -8.284 -13.788 4.035 72 HB2 TRP 7 2HB TRP 7 -9.529 -15.555 6.152 73 HB3 TRP 7 3HB TRP 7 -9.626 -13.797 6.131 74 HD1 TRP 7 1HD TRP 7 -11.801 -16.482 5.450 75 HE1 TRP 7 1HE TRP 7 -13.529 -15.951 3.618 76 HE3 TRP 7 3HE TRP 7 -9.548 -12.390 3.372 77 HZ2 TRP 7 2HZ TRP 7 -13.888 -14.048 1.564 78 HZ3 TRP 7 3HZ TRP 7 -10.650 -11.273 1.478 79 HH2 TRP 7 2HH TRP 7 -12.774 -12.087 0.592 80 H ALA 8 H ALA 8 -7.006 -16.353 6.102 81 HA ALA 8 HA ALA 8 -5.761 -14.782 8.039 82 HB1 ALA 8 3HB ALA 8 -5.709 -16.960 8.668 83 HB2 ALA 8 1HB ALA 8 -5.418 -17.543 7.029 84 HB3 ALA 8 2HB ALA 8 -4.091 -16.861 7.971 85 H SER 9 H SER 9 -4.738 -15.652 4.798 86 HA SER 9 HA SER 9 -2.060 -14.672 5.114 87 HB2 SER 9 1HB SER 9 -3.699 -15.558 2.747 88 HB3 SER 9 2HB SER 9 -2.102 -14.843 2.540 89 HG SER 9 HG SER 9 -1.331 -16.508 3.990 90 H LEU 10 H LEU 10 -5.119 -13.356 4.070 91 HA LEU 10 HA LEU 10 -4.318 -11.118 2.656 92 HB2 LEU 10 1HB LEU 10 -6.671 -12.000 3.141 93 HB3 LEU 10 2HB LEU 10 -6.580 -11.060 4.629 94 HG LEU 10 HG LEU 10 -6.172 -9.781 1.943 95 HD11 LEU 10 1HD1 LEU 10 -8.421 -11.110 2.328 96 HD12 LEU 10 2HD1 LEU 10 -8.405 -9.518 1.569 97 HD13 LEU 10 3HD1 LEU 10 -8.826 -9.677 3.274 98 HD21 LEU 10 3HD2 LEU 10 -5.864 -7.973 3.188 99 HD22 LEU 10 1HD2 LEU 10 -6.129 -8.915 4.656 100 HD23 LEU 10 2HD2 LEU 10 -7.494 -8.153 3.841 101 H TRP 11 H TRP 11 -4.186 -11.741 6.077 102 HA TRP 11 HA TRP 11 -3.784 -9.026 6.874 103 HB2 TRP 11 2HB TRP 11 -2.866 -11.400 8.473 104 HB3 TRP 11 3HB TRP 11 -3.485 -9.854 9.046 105 HD1 TRP 11 1HD TRP 11 -4.583 -13.016 9.559 106 HE1 TRP 11 1HE TRP 11 -7.124 -13.360 9.336 107 HE3 TRP 11 3HE TRP 11 -5.734 -8.832 6.856 108 HZ2 TRP 11 2HZ TRP 11 -9.325 -12.033 8.168 109 HZ3 TRP 11 3HZ TRP 11 -8.080 -8.444 6.226 110 HH2 TRP 11 2HH TRP 11 -9.837 -10.012 6.868 111 H ASN 12 H ASN 12 -1.705 -11.676 5.916 112 HA ASN 12 HA ASN 12 0.709 -10.259 6.668 113 HB2 ASN 12 1HB ASN 12 0.679 -12.736 4.973 114 HB3 ASN 12 2HB ASN 12 1.871 -12.218 6.162 115 HD21 ASN 12 2HD2 ASN 12 0.294 -11.667 8.324 116 HD22 ASN 12 1HD2 ASN 12 -0.455 -13.120 8.883 117 H TRP 13 H TRP 13 -1.293 -10.666 3.890 118 HA TRP 13 HA TRP 13 0.751 -9.769 2.033 119 HB2 TRP 13 2HB TRP 13 -0.756 -11.413 1.169 120 HB3 TRP 13 3HB TRP 13 -2.161 -10.491 1.694 121 HD1 TRP 13 1HD TRP 13 0.831 -9.886 -0.721 122 HE1 TRP 13 1HE TRP 13 -0.075 -8.670 -2.800 123 HE3 TRP 13 3HE TRP 13 -4.069 -9.445 0.668 124 HZ2 TRP 13 2HZ TRP 13 -2.541 -7.657 -3.729 125 HZ3 TRP 13 3HZ TRP 13 -5.636 -8.339 -0.872 126 HH2 TRP 13 2HH TRP 13 -4.886 -7.464 -3.025 127 H PHE 14 H PHE 14 -2.145 -8.527 3.606 128 HA PHE 14 HA PHE 14 -2.063 -6.020 2.191 129 HB2 PHE 14 2HB PHE 14 -4.212 -6.884 2.911 130 HB3 PHE 14 3HB PHE 14 -3.673 -6.919 4.587 131 HD1 PHE 14 2HD PHE 14 -3.417 -4.849 5.855 132 HD2 PHE 14 1HD PHE 14 -4.899 -4.845 1.864 133 HE1 PHE 14 2HE PHE 14 -4.261 -2.559 6.173 134 HE2 PHE 14 1HE PHE 14 -5.744 -2.555 2.177 135 HZ PHE 14 HZ PHE 14 -5.426 -1.410 4.333 136 H ASP 15 H ASP 15 -0.721 -7.325 5.091 137 HA ASP 15 HA ASP 15 -0.338 -5.088 6.667 138 HB2 ASP 15 1HB ASP 15 0.277 -7.160 7.604 139 HB3 ASP 15 2HB ASP 15 1.330 -7.558 6.248 140 H ILE 16 H ILE 16 1.406 -6.109 3.800 141 HA ILE 16 HA ILE 16 3.385 -4.005 4.087 142 HB ILE 16 HB ILE 16 4.259 -4.838 1.921 143 HG12 ILE 16 1HG1 ILE 16 2.678 -7.296 1.948 144 HG13 ILE 16 2HG1 ILE 16 1.710 -5.868 1.596 145 HG21 ILE 16 1HG2 ILE 16 4.989 -7.052 2.773 146 HG22 ILE 16 2HG2 ILE 16 5.154 -5.753 3.952 147 HG23 ILE 16 3HG2 ILE 16 3.815 -6.893 4.079 148 HD11 ILE 16 3HD1 ILE 16 3.744 -7.220 -0.020 149 HD12 ILE 16 1HD1 ILE 16 2.345 -6.266 -0.511 150 HD13 ILE 16 2HD1 ILE 16 3.836 -5.458 -0.024 151 H THR 17 H THR 17 0.337 -4.482 2.581 152 HA THR 17 HA THR 17 0.693 -2.381 0.617 153 HB THR 17 HB THR 17 -1.528 -2.845 -0.112 154 HG1 THR 17 1HG THR 17 -2.685 -3.011 1.768 155 HG21 THR 17 3HG2 THR 17 0.429 -4.840 0.078 156 HG22 THR 17 1HG2 THR 17 -0.925 -4.777 -1.050 157 HG23 THR 17 2HG2 THR 17 -1.094 -5.630 0.484 158 H ASN 18 H ASN 18 -0.263 -2.635 3.881 159 HA ASN 18 HA ASN 18 -2.163 -0.661 4.202 160 HB2 ASN 18 1HB ASN 18 -0.845 -2.243 5.915 161 HB3 ASN 18 2HB ASN 18 0.034 -0.744 6.204 162 HD21 ASN 18 2HD2 ASN 18 -1.538 -2.048 8.116 163 HD22 ASN 18 1HD2 ASN 18 -2.873 -1.024 8.511 164 H TRP 19 H TRP 19 1.371 -0.231 4.423 165 HA TRP 19 HA TRP 19 1.093 2.644 4.360 166 HB2 TRP 19 2HB TRP 19 3.411 2.741 4.781 167 HB3 TRP 19 3HB TRP 19 2.859 1.324 5.669 168 HD1 TRP 19 1HD TRP 19 3.054 -1.034 3.892 169 HE1 TRP 19 1HE TRP 19 5.202 -1.755 2.673 170 HE3 TRP 19 3HE TRP 19 5.552 3.426 3.944 171 HZ2 TRP 19 2HZ TRP 19 7.635 -0.588 1.842 172 HZ3 TRP 19 3HZ TRP 19 7.785 3.539 2.917 173 HH2 TRP 19 2HH TRP 19 8.803 1.572 1.889 174 H LEU 20 H LEU 20 1.812 0.071 2.133 175 HA LEU 20 HA LEU 20 3.098 1.461 0.098 176 HB2 LEU 20 1HB LEU 20 2.639 -1.034 0.303 177 HB3 LEU 20 2HB LEU 20 1.053 -0.688 -0.383 178 HG LEU 20 HG LEU 20 2.186 0.215 -2.403 179 HD11 LEU 20 1HD1 LEU 20 4.715 -1.115 -1.864 180 HD12 LEU 20 2HD1 LEU 20 4.426 0.266 -0.807 181 HD13 LEU 20 3HD1 LEU 20 4.394 0.476 -2.557 182 HD21 LEU 20 3HD2 LEU 20 1.613 -1.847 -3.038 183 HD22 LEU 20 1HD2 LEU 20 2.128 -2.556 -1.508 184 HD23 LEU 20 2HD2 LEU 20 3.308 -2.264 -2.784 185 H TRP 21 H TRP 21 -0.197 1.563 1.126 186 HA TRP 21 HA TRP 21 -1.448 2.464 -1.209 187 HB2 TRP 21 2HB TRP 21 -2.661 1.738 0.819 188 HB3 TRP 21 3HB TRP 21 -2.115 3.190 1.651 189 HD1 TRP 21 1HD TRP 21 -4.807 1.927 -0.630 190 HE1 TRP 21 1HE TRP 21 -6.421 3.844 -1.216 191 HE3 TRP 21 3HE TRP 21 -2.097 5.857 1.199 192 HZ2 TRP 21 2HZ TRP 21 -6.532 6.650 -0.940 193 HZ3 TRP 21 3HZ TRP 21 -3.028 8.126 0.998 194 HH2 TRP 21 2HH TRP 21 -5.199 8.512 -0.050 195 H TYR 22 H TYR 22 0.284 4.221 1.318 196 HA TYR 22 HA TYR 22 -0.328 6.817 0.357 197 HB2 TYR 22 2HB TYR 22 0.945 5.767 2.591 198 HB3 TYR 22 3HB TYR 22 2.228 6.622 1.743 199 HD1 TYR 22 1HD TYR 22 0.632 8.857 0.554 200 HD2 TYR 22 2HD TYR 22 0.573 7.149 4.450 201 HE1 TYR 22 1HE TYR 22 -0.180 10.990 1.471 202 HE2 TYR 22 2HE TYR 22 -0.241 9.277 5.378 203 HH TYR 22 HH TYR 22 -0.554 12.158 3.363 204 H ILE 23 H ILE 23 2.313 4.561 -0.246 205 HA ILE 23 HA ILE 23 4.108 6.174 -1.578 206 HB ILE 23 HB ILE 23 3.394 3.283 -1.893 207 HG12 ILE 23 1HG1 ILE 23 5.773 3.043 -1.126 208 HG13 ILE 23 2HG1 ILE 23 5.843 4.795 -0.965 209 HG21 ILE 23 1HG2 ILE 23 3.950 3.762 -4.117 210 HG22 ILE 23 2HG2 ILE 23 5.225 4.884 -3.648 211 HG23 ILE 23 3HG2 ILE 23 5.445 3.151 -3.408 212 HD11 ILE 23 3HD1 ILE 23 4.530 4.814 0.893 213 HD12 ILE 23 1HD1 ILE 23 3.669 3.343 0.438 214 HD13 ILE 23 2HD1 ILE 23 5.309 3.243 1.083 215 H LYS 24 H LYS 24 1.413 4.342 -3.022 216 HA LYS 24 HA LYS 24 1.732 5.131 -5.655 217 HB2 LYS 24 1HB LYS 24 -0.496 4.115 -4.010 218 HB3 LYS 24 2HB LYS 24 -0.978 4.985 -5.460 219 HG2 LYS 24 1HG LYS 24 -0.854 2.691 -6.027 220 HG3 LYS 24 2HG LYS 24 0.545 3.479 -6.759 221 HD2 LYS 24 1HD LYS 24 1.657 1.746 -5.828 222 HD3 LYS 24 2HD LYS 24 1.596 2.761 -4.385 223 HE2 LYS 24 1HE LYS 24 0.476 1.160 -3.334 224 HE3 LYS 24 2HE LYS 24 -0.837 1.335 -4.499 225 HZ1 LYS 24 3HZ LYS 24 -0.257 -0.879 -4.683 226 HZ2 LYS 24 1HZ LYS 24 1.400 -0.585 -4.509 227 HZ3 LYS 24 2HZ LYS 24 0.618 -0.184 -5.954 228 H LEU 25 H LEU 25 0.356 6.879 -2.960 229 HA LEU 25 HA LEU 25 -0.794 8.959 -4.572 230 HB2 LEU 25 1HB LEU 25 -0.490 8.389 -1.685 231 HB3 LEU 25 2HB LEU 25 -0.661 10.082 -2.144 232 HG LEU 25 HG LEU 25 -2.793 9.017 -1.486 233 HD11 LEU 25 1HD1 LEU 25 -4.094 9.911 -3.287 234 HD12 LEU 25 2HD1 LEU 25 -2.730 9.789 -4.397 235 HD13 LEU 25 3HD1 LEU 25 -2.677 10.937 -3.060 236 HD21 LEU 25 3HD2 LEU 25 -2.774 7.496 -4.054 237 HD22 LEU 25 1HD2 LEU 25 -3.739 7.238 -2.601 238 HD23 LEU 25 2HD2 LEU 25 -2.032 6.792 -2.617 239 H PHE 26 H PHE 26 2.262 8.367 -3.013 240 HA PHE 26 HA PHE 26 3.215 11.049 -3.092 241 HB2 PHE 26 2HB PHE 26 4.258 9.555 -1.550 242 HB3 PHE 26 3HB PHE 26 4.615 8.389 -2.821 243 HD1 PHE 26 2HD PHE 26 5.155 12.068 -2.716 244 HD2 PHE 26 1HD PHE 26 6.917 8.197 -2.878 245 HE1 PHE 26 2HE PHE 26 7.371 13.093 -3.026 246 HE2 PHE 26 1HE PHE 26 9.135 9.215 -3.187 247 HZ PHE 26 HZ PHE 26 9.364 11.666 -3.263 248 H ILE 27 H ILE 27 3.245 8.363 -5.331 249 HA ILE 27 HA ILE 27 5.202 9.317 -7.112 250 HB ILE 27 HB ILE 27 2.794 7.618 -7.771 251 HG12 ILE 27 1HG1 ILE 27 5.589 6.731 -7.032 252 HG13 ILE 27 2HG1 ILE 27 4.232 6.745 -5.909 253 HG21 ILE 27 1HG2 ILE 27 5.438 7.918 -9.190 254 HG22 ILE 27 2HG2 ILE 27 4.134 6.823 -9.648 255 HG23 ILE 27 3HG2 ILE 27 3.893 8.569 -9.737 256 HD11 ILE 27 3HD1 ILE 27 4.459 5.114 -8.427 257 HD12 ILE 27 1HD1 ILE 27 4.574 4.525 -6.769 258 HD13 ILE 27 2HD1 ILE 27 3.046 5.165 -7.372 259 H MET 28 H MET 28 1.826 10.098 -6.699 260 HA MET 28 HA MET 28 1.681 11.560 -9.198 261 HB2 MET 28 1HB MET 28 -0.316 11.373 -6.935 262 HB3 MET 28 2HB MET 28 -0.617 12.074 -8.519 263 HG2 MET 28 1HG MET 28 0.076 9.729 -9.394 264 HG3 MET 28 2HG MET 28 -0.287 9.214 -7.748 265 HE1 MET 28 3HE MET 28 -2.729 10.735 -6.741 266 HE2 MET 28 1HE MET 28 -4.049 9.744 -7.363 267 HE3 MET 28 2HE MET 28 -2.587 8.977 -6.743 268 H ILE 29 H ILE 29 1.397 12.360 -5.734 269 HA ILE 29 HA ILE 29 1.214 15.104 -5.931 270 HB ILE 29 HB ILE 29 2.677 13.531 -3.808 271 HG12 ILE 29 1HG1 ILE 29 -0.048 14.663 -3.414 272 HG13 ILE 29 2HG1 ILE 29 0.095 13.229 -4.424 273 HG21 ILE 29 1HG2 ILE 29 2.237 16.381 -4.181 274 HG22 ILE 29 2HG2 ILE 29 1.628 15.791 -2.636 275 HG23 ILE 29 3HG2 ILE 29 3.318 15.538 -3.071 276 HD11 ILE 29 3HD1 ILE 29 0.571 13.561 -1.515 277 HD12 ILE 29 1HD1 ILE 29 -0.252 12.270 -2.390 278 HD13 ILE 29 2HD1 ILE 29 1.510 12.352 -2.390 279 H VAL 30 H VAL 30 4.153 13.117 -5.790 280 HA VAL 30 HA VAL 30 6.029 15.185 -5.770 281 HB VAL 30 HB VAL 30 6.546 12.779 -5.372 282 HG11 VAL 30 1HG1 VAL 30 6.543 12.539 -8.375 283 HG12 VAL 30 2HG1 VAL 30 6.871 11.268 -7.196 284 HG13 VAL 30 3HG1 VAL 30 5.247 11.945 -7.337 285 HG21 VAL 30 3HG2 VAL 30 8.274 13.945 -7.544 286 HG22 VAL 30 1HG2 VAL 30 8.265 14.547 -5.887 287 HG23 VAL 30 2HG2 VAL 30 8.762 12.889 -6.219 288 H GLY 31 H GLY 31 4.153 13.823 -8.379 289 HA2 GLY 31 1HA GLY 31 5.727 14.908 -10.504 290 HA3 GLY 31 2HA GLY 31 4.094 14.274 -10.639 291 H LYS 32 H LYS 32 3.326 16.212 -8.408 292 HA LYS 32 HA LYS 32 2.141 18.177 -9.943 293 HB2 LYS 32 1HB LYS 32 2.980 18.262 -7.042 294 HB3 LYS 32 2HB LYS 32 1.951 19.472 -7.797 295 HG2 LYS 32 1HG LYS 32 0.962 16.801 -8.276 296 HG3 LYS 32 2HG LYS 32 1.142 17.130 -6.552 297 HD2 LYS 32 1HD LYS 32 -0.299 18.940 -8.488 298 HD3 LYS 32 2HD LYS 32 -1.094 17.735 -7.471 299 HE2 LYS 32 1HE LYS 32 -1.127 19.163 -5.771 300 HE3 LYS 32 2HE LYS 32 0.628 19.313 -5.839 301 HZ1 LYS 32 3HZ LYS 32 -0.669 21.430 -6.105 302 HZ2 LYS 32 1HZ LYS 32 -1.178 20.854 -7.612 303 HZ3 LYS 32 2HZ LYS 32 0.467 21.120 -7.319 304 H LYS 33 H LYS 33 5.198 18.373 -8.139 305 HA LYS 33 HA LYS 33 5.792 20.914 -9.474 306 HB2 LYS 33 1HB LYS 33 6.092 20.216 -6.869 307 HB3 LYS 33 2HB LYS 33 7.695 19.840 -7.486 308 HG2 LYS 33 1HG LYS 33 6.897 22.390 -8.483 309 HG3 LYS 33 2HG LYS 33 6.655 22.347 -6.734 310 HD2 LYS 33 1HD LYS 33 8.843 22.934 -6.719 311 HD3 LYS 33 2HD LYS 33 9.074 21.192 -6.881 312 HE2 LYS 33 1HE LYS 33 10.022 21.441 -8.878 313 HE3 LYS 33 2HE LYS 33 8.667 22.407 -9.459 314 HZ1 LYS 33 3HZ LYS 33 11.203 23.303 -9.012 315 HZ2 LYS 33 1HZ LYS 33 10.348 23.862 -7.663 316 HZ3 LYS 33 2HZ LYS 33 9.830 24.270 -9.221 317 H LYS 34 H LYS 34 5.873 18.511 -10.996 318 HA LYS 34 HA LYS 34 8.676 18.594 -11.820 319 HB2 LYS 34 1HB LYS 34 7.757 16.474 -10.350 320 HB3 LYS 34 2HB LYS 34 7.494 15.909 -11.994 321 HG2 LYS 34 1HG LYS 34 9.615 15.244 -11.941 322 HG3 LYS 34 2HG LYS 34 10.034 16.951 -12.102 323 HD2 LYS 34 1HD LYS 34 10.074 17.142 -9.642 324 HD3 LYS 34 2HD LYS 34 9.726 15.416 -9.520 325 HE2 LYS 34 1HE LYS 34 12.054 16.294 -11.157 326 HE3 LYS 34 2HE LYS 34 12.196 16.335 -9.400 327 HZ1 LYS 34 3HZ LYS 34 11.804 14.014 -11.171 328 HZ2 LYS 34 1HZ LYS 34 11.311 13.938 -9.554 329 HZ3 LYS 34 2HZ LYS 34 12.933 14.231 -9.930 330 H LYS 35 H LYS 35 6.194 19.716 -12.871 331 HA LYS 35 HA LYS 35 5.905 18.203 -15.376 332 HB2 LYS 35 1HB LYS 35 3.842 19.500 -15.721 333 HB3 LYS 35 2HB LYS 35 3.806 18.603 -14.209 334 HG2 LYS 35 1HG LYS 35 3.976 20.505 -12.918 335 HG3 LYS 35 2HG LYS 35 4.709 21.447 -14.219 336 HD2 LYS 35 1HD LYS 35 2.688 21.883 -15.224 337 HD3 LYS 35 2HD LYS 35 1.930 20.427 -14.574 338 HE2 LYS 35 1HE LYS 35 1.263 21.470 -12.701 339 HE3 LYS 35 2HE LYS 35 2.780 22.353 -12.537 340 HZ1 LYS 35 3HZ LYS 35 0.498 23.533 -13.134 341 HZ2 LYS 35 1HZ LYS 35 1.014 23.173 -14.705 342 HZ3 LYS 35 2HZ LYS 35 1.988 24.110 -13.689 343 H LYS 36 H LYS 36 8.245 19.524 -15.236 344 HA LYS 36 HA LYS 36 7.879 22.077 -16.628 345 HB2 LYS 36 1HB LYS 36 10.244 22.465 -16.198 346 HB3 LYS 36 2HB LYS 36 9.415 22.048 -14.705 347 HG2 LYS 36 1HG LYS 36 10.316 19.619 -15.723 348 HG3 LYS 36 2HG LYS 36 11.640 20.753 -15.994 349 HD2 LYS 36 1HD LYS 36 11.242 21.463 -13.548 350 HD3 LYS 36 2HD LYS 36 10.343 19.950 -13.412 351 HE2 LYS 36 1HE LYS 36 12.285 18.680 -14.038 352 HE3 LYS 36 2HE LYS 36 13.188 20.153 -14.389 353 HZ1 LYS 36 3HZ LYS 36 13.468 20.618 -12.181 354 HZ2 LYS 36 1HZ LYS 36 13.488 18.927 -12.128 355 HZ3 LYS 36 2HZ LYS 36 12.087 19.770 -11.695 Start of MODEL 8 1 H1 LYS 1 H LYS 1 -0.296 -29.053 11.596 2 HA LYS 1 HA LYS 1 -1.480 -31.589 10.685 3 HB2 LYS 1 1HB LYS 1 -2.556 -29.969 12.992 4 HB3 LYS 1 2HB LYS 1 -3.082 -31.562 12.465 5 HG2 LYS 1 1HG LYS 1 -0.891 -32.475 13.118 6 HG3 LYS 1 2HG LYS 1 -0.424 -30.877 13.706 7 HD2 LYS 1 1HD LYS 1 -2.981 -31.931 14.733 8 HD3 LYS 1 2HD LYS 1 -1.530 -32.788 15.257 9 HE2 LYS 1 1HE LYS 1 -1.846 -29.800 15.442 10 HE3 LYS 1 2HE LYS 1 -2.287 -30.901 16.747 11 HZ1 LYS 1 3HZ LYS 1 0.306 -29.991 15.927 12 HZ2 LYS 1 1HZ LYS 1 0.230 -31.672 16.092 13 HZ3 LYS 1 2HZ LYS 1 -0.184 -30.676 17.395 14 H LYS 2 H LYS 2 -2.159 -28.183 11.462 15 HA LYS 2 HA LYS 2 -4.412 -28.162 9.629 16 HB2 LYS 2 1HB LYS 2 -3.311 -26.299 11.677 17 HB3 LYS 2 2HB LYS 2 -4.270 -25.611 10.373 18 HG2 LYS 2 1HG LYS 2 -5.858 -25.985 11.991 19 HG3 LYS 2 2HG LYS 2 -5.987 -27.449 11.014 20 HD2 LYS 2 1HD LYS 2 -4.179 -28.333 12.719 21 HD3 LYS 2 2HD LYS 2 -4.868 -27.075 13.749 22 HE2 LYS 2 1HE LYS 2 -5.994 -29.168 14.167 23 HE3 LYS 2 2HE LYS 2 -7.106 -28.048 13.383 24 HZ1 LYS 2 3HZ LYS 2 -6.402 -30.612 12.559 25 HZ2 LYS 2 1HZ LYS 2 -5.763 -29.541 11.415 26 HZ3 LYS 2 2HZ LYS 2 -7.417 -29.510 11.770 27 H LYS 3 H LYS 3 -4.496 -25.939 8.321 28 HA LYS 3 HA LYS 3 -1.916 -25.530 6.978 29 HB2 LYS 3 1HB LYS 3 -2.907 -25.697 4.800 30 HB3 LYS 3 2HB LYS 3 -3.316 -27.156 5.694 31 HG2 LYS 3 1HG LYS 3 -5.537 -26.251 6.159 32 HG3 LYS 3 2HG LYS 3 -5.125 -24.785 5.265 33 HD2 LYS 3 1HD LYS 3 -4.522 -26.669 3.424 34 HD3 LYS 3 2HD LYS 3 -5.837 -27.474 4.284 35 HE2 LYS 3 1HE LYS 3 -6.327 -24.650 3.649 36 HE3 LYS 3 2HE LYS 3 -6.163 -25.703 2.244 37 HZ1 LYS 3 3HZ LYS 3 -8.470 -25.462 3.121 38 HZ2 LYS 3 1HZ LYS 3 -7.980 -26.287 4.514 39 HZ3 LYS 3 2HZ LYS 3 -7.929 -27.061 3.010 40 H LYS 4 H LYS 4 -2.118 -23.618 5.387 41 HA LYS 4 HA LYS 4 -2.914 -21.341 6.887 42 HB2 LYS 4 1HB LYS 4 -2.168 -21.475 3.961 43 HB3 LYS 4 2HB LYS 4 -2.151 -20.044 4.983 44 HG2 LYS 4 1HG LYS 4 -0.383 -22.462 5.295 45 HG3 LYS 4 2HG LYS 4 0.094 -20.897 4.633 46 HD2 LYS 4 1HD LYS 4 -1.019 -20.236 7.065 47 HD3 LYS 4 2HD LYS 4 -0.179 -21.750 7.406 48 HE2 LYS 4 1HE LYS 4 1.758 -20.598 6.053 49 HE3 LYS 4 2HE LYS 4 0.914 -19.123 6.520 50 HZ1 LYS 4 3HZ LYS 4 1.816 -19.266 8.521 51 HZ2 LYS 4 1HZ LYS 4 2.671 -20.647 8.051 52 HZ3 LYS 4 2HZ LYS 4 1.146 -20.799 8.763 53 H ASP 5 H ASP 5 -4.057 -19.555 5.256 54 HA ASP 5 HA ASP 5 -6.389 -20.639 3.950 55 HB2 ASP 5 1HB ASP 5 -6.687 -20.367 6.616 56 HB3 ASP 5 2HB ASP 5 -7.120 -18.738 6.103 57 H LYS 6 H LYS 6 -7.662 -19.001 2.876 58 HA LYS 6 HA LYS 6 -6.110 -17.019 1.648 59 HB2 LYS 6 1HB LYS 6 -8.322 -16.164 0.794 60 HB3 LYS 6 2HB LYS 6 -8.005 -17.865 0.481 61 HG2 LYS 6 1HG LYS 6 -9.933 -18.376 1.431 62 HG3 LYS 6 2HG LYS 6 -9.340 -17.723 2.960 63 HD2 LYS 6 1HD LYS 6 -11.433 -16.656 2.348 64 HD3 LYS 6 2HD LYS 6 -10.113 -15.487 2.282 65 HE2 LYS 6 1HE LYS 6 -11.703 -15.353 0.365 66 HE3 LYS 6 2HE LYS 6 -10.024 -15.619 -0.103 67 HZ1 LYS 6 3HZ LYS 6 -12.091 -17.067 -0.999 68 HZ2 LYS 6 1HZ LYS 6 -11.572 -18.029 0.293 69 HZ3 LYS 6 2HZ LYS 6 -10.495 -17.625 -0.946 70 H TRP 7 H TRP 7 -8.310 -16.886 4.389 71 HA TRP 7 HA TRP 7 -8.267 -14.034 4.605 72 HB2 TRP 7 2HB TRP 7 -9.095 -16.163 6.588 73 HB3 TRP 7 3HB TRP 7 -9.343 -14.435 6.814 74 HD1 TRP 7 1HD TRP 7 -11.348 -17.218 6.016 75 HE1 TRP 7 1HE TRP 7 -13.321 -16.639 4.468 76 HE3 TRP 7 3HE TRP 7 -9.716 -12.697 4.277 77 HZ2 TRP 7 2HZ TRP 7 -14.084 -14.544 2.738 78 HZ3 TRP 7 3HZ TRP 7 -11.127 -11.470 2.678 79 HH2 TRP 7 2HH TRP 7 -13.264 -12.376 1.925 80 H ALA 8 H ALA 8 -6.486 -16.690 6.081 81 HA ALA 8 HA ALA 8 -5.168 -15.248 8.091 82 HB1 ALA 8 3HB ALA 8 -3.365 -17.123 7.640 83 HB2 ALA 8 1HB ALA 8 -4.918 -17.497 8.389 84 HB3 ALA 8 2HB ALA 8 -4.669 -17.811 6.672 85 H SER 9 H SER 9 -4.384 -15.751 4.688 86 HA SER 9 HA SER 9 -1.813 -14.519 4.829 87 HB2 SER 9 1HB SER 9 -1.816 -14.651 2.409 88 HB3 SER 9 2HB SER 9 -2.481 -16.150 3.060 89 HG SER 9 HG SER 9 -3.807 -15.453 1.406 90 H LEU 10 H LEU 10 -5.068 -13.388 4.298 91 HA LEU 10 HA LEU 10 -4.629 -10.949 3.069 92 HB2 LEU 10 1HB LEU 10 -6.826 -12.097 3.722 93 HB3 LEU 10 2HB LEU 10 -6.625 -11.301 5.283 94 HG LEU 10 HG LEU 10 -6.664 -9.739 2.719 95 HD11 LEU 10 1HD1 LEU 10 -9.123 -9.993 4.363 96 HD12 LEU 10 2HD1 LEU 10 -8.735 -11.295 3.241 97 HD13 LEU 10 3HD1 LEU 10 -8.939 -9.649 2.642 98 HD21 LEU 10 3HD2 LEU 10 -6.328 -8.041 4.105 99 HD22 LEU 10 1HD2 LEU 10 -6.345 -9.136 5.487 100 HD23 LEU 10 2HD2 LEU 10 -7.849 -8.415 4.915 101 H TRP 11 H TRP 11 -4.031 -11.914 6.360 102 HA TRP 11 HA TRP 11 -3.741 -9.268 7.407 103 HB2 TRP 11 2HB TRP 11 -2.474 -11.707 8.624 104 HB3 TRP 11 3HB TRP 11 -3.132 -10.286 9.430 105 HD1 TRP 11 1HD TRP 11 -3.931 -13.568 9.697 106 HE1 TRP 11 1HE TRP 11 -6.450 -14.098 9.717 107 HE3 TRP 11 3HE TRP 11 -5.690 -9.233 7.634 108 HZ2 TRP 11 2HZ TRP 11 -8.863 -12.845 8.958 109 HZ3 TRP 11 3HZ TRP 11 -8.115 -8.978 7.315 110 HH2 TRP 11 2HH TRP 11 -9.668 -10.748 7.963 111 H ASN 12 H ASN 12 -1.611 -11.613 5.921 112 HA ASN 12 HA ASN 12 0.773 -10.097 6.572 113 HB2 ASN 12 1HB ASN 12 0.709 -12.361 4.602 114 HB3 ASN 12 2HB ASN 12 1.998 -11.882 5.702 115 HD21 ASN 12 2HD2 ASN 12 0.657 -11.707 8.078 116 HD22 ASN 12 1HD2 ASN 12 0.086 -13.272 8.538 117 H TRP 13 H TRP 13 -1.511 -10.353 3.999 118 HA TRP 13 HA TRP 13 0.224 -9.116 2.036 119 HB2 TRP 13 2HB TRP 13 -1.325 -10.728 1.181 120 HB3 TRP 13 3HB TRP 13 -2.681 -9.940 1.983 121 HD1 TRP 13 1HD TRP 13 -0.010 -8.726 -0.580 122 HE1 TRP 13 1HE TRP 13 -1.236 -7.404 -2.417 123 HE3 TRP 13 3HE TRP 13 -4.796 -9.149 1.169 124 HZ2 TRP 13 2HZ TRP 13 -3.880 -6.640 -3.042 125 HZ3 TRP 13 3HZ TRP 13 -6.616 -8.093 -0.106 126 HH2 TRP 13 2HH TRP 13 -6.165 -6.865 -2.167 127 H PHE 14 H PHE 14 -2.862 -8.248 3.604 128 HA PHE 14 HA PHE 14 -3.033 -5.641 2.655 129 HB2 PHE 14 2HB PHE 14 -4.922 -6.665 3.742 130 HB3 PHE 14 3HB PHE 14 -4.025 -6.835 5.247 131 HD1 PHE 14 1HD PHE 14 -5.655 -4.439 2.981 132 HD2 PHE 14 2HD PHE 14 -3.830 -5.033 6.780 133 HE1 PHE 14 1HE PHE 14 -6.500 -2.251 3.726 134 HE2 PHE 14 2HE PHE 14 -4.674 -2.847 7.532 135 HZ PHE 14 HZ PHE 14 -6.011 -1.453 6.004 136 H ASP 15 H ASP 15 -1.025 -6.986 5.127 137 HA ASP 15 HA ASP 15 -0.422 -4.537 6.466 138 HB2 ASP 15 1HB ASP 15 0.374 -7.335 6.656 139 HB3 ASP 15 2HB ASP 15 1.725 -6.236 6.922 140 H ILE 16 H ILE 16 0.761 -6.130 3.628 141 HA ILE 16 HA ILE 16 3.197 -4.571 3.501 142 HB ILE 16 HB ILE 16 1.960 -6.405 1.445 143 HG12 ILE 16 1HG1 ILE 16 4.343 -6.946 3.215 144 HG13 ILE 16 2HG1 ILE 16 2.706 -7.404 3.672 145 HG21 ILE 16 1HG2 ILE 16 3.376 -5.271 0.101 146 HG22 ILE 16 2HG2 ILE 16 4.361 -4.696 1.444 147 HG23 ILE 16 3HG2 ILE 16 4.577 -6.335 0.831 148 HD11 ILE 16 3HD1 ILE 16 2.746 -9.200 2.371 149 HD12 ILE 16 1HD1 ILE 16 3.405 -8.301 1.005 150 HD13 ILE 16 2HD1 ILE 16 4.485 -8.933 2.248 151 H THR 17 H THR 17 0.028 -4.621 1.956 152 HA THR 17 HA THR 17 0.704 -2.420 0.196 153 HB THR 17 HB THR 17 -0.821 -4.221 -0.564 154 HG1 THR 17 1HG THR 17 -1.034 -2.247 -1.600 155 HG21 THR 17 3HG2 THR 17 -1.954 -4.165 1.846 156 HG22 THR 17 1HG2 THR 17 -2.825 -4.712 0.414 157 HG23 THR 17 2HG2 THR 17 -3.058 -3.071 1.016 158 H ASN 18 H ASN 18 -0.503 -2.824 3.353 159 HA ASN 18 HA ASN 18 -2.287 -0.759 3.708 160 HB2 ASN 18 1HB ASN 18 -1.942 -2.145 5.569 161 HB3 ASN 18 2HB ASN 18 -0.193 -1.939 5.515 162 HD21 ASN 18 2HD2 ASN 18 0.738 -0.213 6.516 163 HD22 ASN 18 1HD2 ASN 18 -0.135 0.893 7.517 164 H TRP 19 H TRP 19 1.248 -0.558 4.143 165 HA TRP 19 HA TRP 19 1.146 2.323 4.272 166 HB2 TRP 19 2HB TRP 19 3.453 2.243 4.772 167 HB3 TRP 19 3HB TRP 19 2.770 0.818 5.551 168 HD1 TRP 19 1HD TRP 19 2.913 -1.467 3.722 169 HE1 TRP 19 1HE TRP 19 5.043 -2.254 2.508 170 HE3 TRP 19 3HE TRP 19 5.621 2.864 3.946 171 HZ2 TRP 19 2HZ TRP 19 7.540 -1.180 1.747 172 HZ3 TRP 19 3HZ TRP 19 7.871 2.900 2.952 173 HH2 TRP 19 2HH TRP 19 8.809 0.919 1.877 174 H LEU 20 H LEU 20 1.899 -0.131 1.903 175 HA LEU 20 HA LEU 20 3.273 1.432 0.031 176 HB2 LEU 20 1HB LEU 20 2.270 -1.183 0.190 177 HB3 LEU 20 2HB LEU 20 1.558 -0.481 -1.261 178 HG LEU 20 HG LEU 20 4.492 -0.797 -0.639 179 HD11 LEU 20 1HD1 LEU 20 4.477 -2.242 -2.604 180 HD12 LEU 20 2HD1 LEU 20 2.742 -1.989 -2.787 181 HD13 LEU 20 3HD1 LEU 20 3.364 -2.835 -1.371 182 HD21 LEU 20 3HD2 LEU 20 4.639 1.124 -1.831 183 HD22 LEU 20 1HD2 LEU 20 3.064 0.902 -2.595 184 HD23 LEU 20 2HD2 LEU 20 4.466 0.008 -3.186 185 H TRP 21 H TRP 21 -0.027 1.428 0.956 186 HA TRP 21 HA TRP 21 -1.253 2.326 -1.401 187 HB2 TRP 21 2HB TRP 21 -2.482 1.530 0.599 188 HB3 TRP 21 3HB TRP 21 -2.010 2.997 1.452 189 HD1 TRP 21 1HD TRP 21 -4.602 1.648 -0.894 190 HE1 TRP 21 1HE TRP 21 -6.270 3.509 -1.512 191 HE3 TRP 21 3HE TRP 21 -2.074 5.666 1.003 192 HZ2 TRP 21 2HZ TRP 21 -6.484 6.310 -1.233 193 HZ3 TRP 21 3HZ TRP 21 -3.079 7.901 0.786 194 HH2 TRP 21 2HH TRP 21 -5.239 8.215 -0.310 195 H TYR 22 H TYR 22 0.324 4.097 1.224 196 HA TYR 22 HA TYR 22 -0.319 6.686 0.277 197 HB2 TYR 22 2HB TYR 22 0.487 6.037 2.608 198 HB3 TYR 22 3HB TYR 22 2.109 5.986 1.927 199 HD1 TYR 22 1HD TYR 22 -0.656 8.390 1.252 200 HD2 TYR 22 2HD TYR 22 3.219 7.787 2.902 201 HE1 TYR 22 1HE TYR 22 -0.436 10.814 1.605 202 HE2 TYR 22 2HE TYR 22 3.450 10.210 3.262 203 HH TYR 22 HH TYR 22 1.916 12.180 3.561 204 H ILE 23 H ILE 23 2.395 4.511 -0.288 205 HA ILE 23 HA ILE 23 4.189 6.193 -1.531 206 HB ILE 23 HB ILE 23 3.556 3.293 -1.923 207 HG12 ILE 23 1HG1 ILE 23 5.912 3.090 -1.091 208 HG13 ILE 23 2HG1 ILE 23 5.948 4.841 -0.907 209 HG21 ILE 23 1HG2 ILE 23 5.434 4.956 -3.578 210 HG22 ILE 23 2HG2 ILE 23 5.618 3.213 -3.397 211 HG23 ILE 23 3HG2 ILE 23 4.156 3.873 -4.128 212 HD11 ILE 23 3HD1 ILE 23 4.578 4.812 0.913 213 HD12 ILE 23 1HD1 ILE 23 3.767 3.325 0.420 214 HD13 ILE 23 2HD1 ILE 23 5.390 3.259 1.109 215 H LYS 24 H LYS 24 1.578 4.335 -3.090 216 HA LYS 24 HA LYS 24 1.958 5.185 -5.696 217 HB2 LYS 24 1HB LYS 24 -0.301 4.095 -4.139 218 HB3 LYS 24 2HB LYS 24 -0.748 4.970 -5.598 219 HG2 LYS 24 1HG LYS 24 0.501 3.498 -6.971 220 HG3 LYS 24 2HG LYS 24 1.280 2.751 -5.575 221 HD2 LYS 24 1HD LYS 24 -1.681 2.674 -5.675 222 HD3 LYS 24 2HD LYS 24 -0.810 1.653 -6.821 223 HE2 LYS 24 1HE LYS 24 0.385 0.579 -5.021 224 HE3 LYS 24 2HE LYS 24 -0.338 1.675 -3.843 225 HZ1 LYS 24 3HZ LYS 24 -1.328 -0.768 -4.722 226 HZ2 LYS 24 1HZ LYS 24 -2.375 0.417 -5.324 227 HZ3 LYS 24 2HZ LYS 24 -2.066 0.327 -3.664 228 H LEU 25 H LEU 25 0.467 6.845 -3.008 229 HA LEU 25 HA LEU 25 -0.690 8.930 -4.607 230 HB2 LEU 25 1HB LEU 25 -0.458 8.294 -1.733 231 HB3 LEU 25 2HB LEU 25 -0.620 10.000 -2.142 232 HG LEU 25 HG LEU 25 -2.768 8.916 -1.578 233 HD11 LEU 25 1HD1 LEU 25 -2.567 9.810 -4.451 234 HD12 LEU 25 2HD1 LEU 25 -2.672 10.879 -3.053 235 HD13 LEU 25 3HD1 LEU 25 -4.019 9.812 -3.448 236 HD21 LEU 25 3HD2 LEU 25 -1.926 6.739 -2.815 237 HD22 LEU 25 1HD2 LEU 25 -2.753 7.484 -4.182 238 HD23 LEU 25 2HD2 LEU 25 -3.642 7.132 -2.700 239 H PHE 26 H PHE 26 2.344 8.374 -2.997 240 HA PHE 26 HA PHE 26 3.234 11.081 -3.005 241 HB2 PHE 26 2HB PHE 26 4.271 9.587 -1.458 242 HB3 PHE 26 3HB PHE 26 4.690 8.451 -2.736 243 HD1 PHE 26 2HD PHE 26 5.137 12.139 -2.578 244 HD2 PHE 26 1HD PHE 26 6.997 8.314 -2.721 245 HE1 PHE 26 2HE PHE 26 7.334 13.220 -2.812 246 HE2 PHE 26 1HE PHE 26 9.197 9.388 -2.955 247 HZ PHE 26 HZ PHE 26 9.368 11.845 -3.003 248 H ILE 27 H ILE 27 3.401 8.424 -5.275 249 HA ILE 27 HA ILE 27 5.374 9.455 -6.993 250 HB ILE 27 HB ILE 27 3.032 7.702 -7.741 251 HG12 ILE 27 1HG1 ILE 27 5.825 6.877 -6.927 252 HG13 ILE 27 2HG1 ILE 27 4.435 6.841 -5.848 253 HG21 ILE 27 1HG2 ILE 27 5.645 8.315 -9.096 254 HG22 ILE 27 2HG2 ILE 27 4.662 6.909 -9.504 255 HG23 ILE 27 3HG2 ILE 27 4.012 8.534 -9.723 256 HD11 ILE 27 3HD1 ILE 27 3.365 5.347 -7.657 257 HD12 ILE 27 1HD1 ILE 27 5.022 5.136 -8.226 258 HD13 ILE 27 2HD1 ILE 27 4.585 4.661 -6.584 259 H MET 28 H MET 28 1.956 10.114 -6.683 260 HA MET 28 HA MET 28 1.856 11.625 -9.154 261 HB2 MET 28 1HB MET 28 -0.227 11.348 -6.981 262 HB3 MET 28 2HB MET 28 -0.483 12.023 -8.584 263 HG2 MET 28 1HG MET 28 0.355 9.691 -9.390 264 HG3 MET 28 2HG MET 28 -0.098 9.188 -7.762 265 HE1 MET 28 3HE MET 28 -2.646 8.569 -7.120 266 HE2 MET 28 1HE MET 28 -2.416 10.283 -6.772 267 HE3 MET 28 2HE MET 28 -3.877 9.740 -7.598 268 H ILE 29 H ILE 29 1.436 12.331 -5.685 269 HA ILE 29 HA ILE 29 1.143 15.069 -5.822 270 HB ILE 29 HB ILE 29 2.621 13.511 -3.699 271 HG12 ILE 29 1HG1 ILE 29 -0.206 14.493 -3.493 272 HG13 ILE 29 2HG1 ILE 29 0.139 12.983 -4.329 273 HG21 ILE 29 1HG2 ILE 29 1.408 15.707 -2.527 274 HG22 ILE 29 2HG2 ILE 29 3.128 15.512 -2.862 275 HG23 ILE 29 3HG2 ILE 29 2.093 16.340 -4.024 276 HD11 ILE 29 3HD1 ILE 29 0.423 13.662 -1.444 277 HD12 ILE 29 1HD1 ILE 29 -0.324 12.257 -2.204 278 HD13 ILE 29 2HD1 ILE 29 1.433 12.399 -2.150 279 H VAL 30 H VAL 30 4.149 13.191 -5.705 280 HA VAL 30 HA VAL 30 5.923 15.369 -5.597 281 HB VAL 30 HB VAL 30 6.549 12.996 -5.143 282 HG11 VAL 30 1HG1 VAL 30 5.359 12.105 -7.174 283 HG12 VAL 30 2HG1 VAL 30 6.715 12.700 -8.134 284 HG13 VAL 30 3HG1 VAL 30 6.979 11.463 -6.903 285 HG21 VAL 30 3HG2 VAL 30 8.653 13.681 -5.368 286 HG22 VAL 30 1HG2 VAL 30 8.553 13.558 -7.125 287 HG23 VAL 30 2HG2 VAL 30 8.060 15.045 -6.314 288 H GLY 31 H GLY 31 4.231 13.856 -8.253 289 HA2 GLY 31 1HA GLY 31 5.810 14.972 -10.344 290 HA3 GLY 31 2HA GLY 31 4.198 14.293 -10.512 291 H LYS 32 H LYS 32 3.238 16.207 -8.384 292 HA LYS 32 HA LYS 32 2.111 18.139 -10.001 293 HB2 LYS 32 1HB LYS 32 2.763 18.414 -7.061 294 HB3 LYS 32 2HB LYS 32 1.572 19.357 -7.947 295 HG2 LYS 32 1HG LYS 32 1.099 16.525 -8.247 296 HG3 LYS 32 2HG LYS 32 1.140 17.000 -6.547 297 HD2 LYS 32 1HD LYS 32 -0.361 18.838 -8.261 298 HD3 LYS 32 2HD LYS 32 -1.033 17.207 -8.197 299 HE2 LYS 32 1HE LYS 32 -0.508 17.631 -5.581 300 HE3 LYS 32 2HE LYS 32 -0.860 19.276 -6.106 301 HZ1 LYS 32 3HZ LYS 32 -2.883 18.287 -5.401 302 HZ2 LYS 32 1HZ LYS 32 -2.623 16.903 -6.338 303 HZ3 LYS 32 2HZ LYS 32 -2.948 18.383 -7.089 304 H LYS 33 H LYS 33 4.916 18.549 -7.838 305 HA LYS 33 HA LYS 33 5.768 20.800 -9.539 306 HB2 LYS 33 1HB LYS 33 5.763 20.506 -6.555 307 HB3 LYS 33 2HB LYS 33 6.953 21.544 -7.331 308 HG2 LYS 33 1HG LYS 33 5.061 22.753 -8.428 309 HG3 LYS 33 2HG LYS 33 3.958 21.809 -7.424 310 HD2 LYS 33 1HD LYS 33 6.180 23.521 -6.319 311 HD3 LYS 33 2HD LYS 33 4.518 24.083 -6.526 312 HE2 LYS 33 1HE LYS 33 4.072 21.798 -5.180 313 HE3 LYS 33 2HE LYS 33 5.665 22.213 -4.547 314 HZ1 LYS 33 3HZ LYS 33 4.293 23.318 -3.107 315 HZ2 LYS 33 1HZ LYS 33 3.127 23.666 -4.282 316 HZ3 LYS 33 2HZ LYS 33 4.576 24.537 -4.245 317 H LYS 34 H LYS 34 6.937 19.149 -10.747 318 HA LYS 34 HA LYS 34 9.242 17.983 -9.374 319 HB2 LYS 34 1HB LYS 34 7.781 16.616 -10.916 320 HB3 LYS 34 2HB LYS 34 8.401 17.584 -12.246 321 HG2 LYS 34 1HG LYS 34 9.600 15.500 -12.118 322 HG3 LYS 34 2HG LYS 34 10.679 16.835 -11.705 323 HD2 LYS 34 1HD LYS 34 9.386 15.865 -9.335 324 HD3 LYS 34 2HD LYS 34 10.135 14.520 -10.198 325 HE2 LYS 34 1HE LYS 34 12.150 16.219 -10.372 326 HE3 LYS 34 2HE LYS 34 11.382 16.915 -8.946 327 HZ1 LYS 34 3HZ LYS 34 11.538 14.790 -7.843 328 HZ2 LYS 34 1HZ LYS 34 13.072 15.260 -8.382 329 HZ3 LYS 34 2HZ LYS 34 12.208 14.075 -9.222 330 H LYS 35 H LYS 35 8.582 19.835 -12.350 331 HA LYS 35 HA LYS 35 9.858 21.285 -13.554 332 HB2 LYS 35 1HB LYS 35 9.811 22.222 -11.023 333 HB3 LYS 35 2HB LYS 35 11.545 22.014 -11.231 334 HG2 LYS 35 1HG LYS 35 11.363 23.377 -13.325 335 HG3 LYS 35 2HG LYS 35 9.693 23.721 -12.873 336 HD2 LYS 35 1HD LYS 35 10.522 25.469 -11.750 337 HD3 LYS 35 2HD LYS 35 11.086 24.286 -10.568 338 HE2 LYS 35 1HE LYS 35 13.090 24.146 -12.354 339 HE3 LYS 35 2HE LYS 35 12.590 25.818 -12.599 340 HZ1 LYS 35 3HZ LYS 35 14.357 25.376 -10.853 341 HZ2 LYS 35 1HZ LYS 35 13.116 24.735 -9.899 342 HZ3 LYS 35 2HZ LYS 35 13.056 26.353 -10.389 343 H LYS 36 H LYS 36 10.730 18.658 -13.661 344 HA LYS 36 HA LYS 36 13.475 18.315 -13.120 345 HB2 LYS 36 1HB LYS 36 13.342 16.336 -14.435 346 HB3 LYS 36 2HB LYS 36 11.796 16.496 -13.613 347 HG2 LYS 36 1HG LYS 36 10.891 17.530 -15.706 348 HG3 LYS 36 2HG LYS 36 12.409 17.098 -16.495 349 HD2 LYS 36 1HD LYS 36 11.828 14.939 -16.673 350 HD3 LYS 36 2HD LYS 36 11.178 14.886 -15.032 351 HE2 LYS 36 1HE LYS 36 9.071 15.343 -15.713 352 HE3 LYS 36 2HE LYS 36 9.607 16.434 -16.990 353 HZ1 LYS 36 3HZ LYS 36 9.261 14.820 -18.442 354 HZ2 LYS 36 1HZ LYS 36 8.797 13.758 -17.209 355 HZ3 LYS 36 2HZ LYS 36 10.420 13.855 -17.674 Start of MODEL 9 1 H1 LYS 1 H LYS 1 0.495 -24.380 12.357 2 HA LYS 1 HA LYS 1 1.495 -21.656 11.992 3 HB2 LYS 1 1HB LYS 1 1.784 -23.976 10.085 4 HB3 LYS 1 2HB LYS 1 2.725 -22.490 10.122 5 HG2 LYS 1 1HG LYS 1 2.760 -24.664 12.206 6 HG3 LYS 1 2HG LYS 1 4.006 -24.356 10.993 7 HD2 LYS 1 1HD LYS 1 4.970 -22.866 12.331 8 HD3 LYS 1 2HD LYS 1 3.473 -21.934 12.405 9 HE2 LYS 1 1HE LYS 1 3.799 -22.428 14.626 10 HE3 LYS 1 2HE LYS 1 2.764 -23.766 14.129 11 HZ1 LYS 1 3HZ LYS 1 4.339 -25.081 14.945 12 HZ2 LYS 1 1HZ LYS 1 5.451 -23.815 15.094 13 HZ3 LYS 1 2HZ LYS 1 5.302 -24.641 13.625 14 H LYS 2 H LYS 2 -1.379 -22.327 12.000 15 HA LYS 2 HA LYS 2 -3.273 -21.765 10.875 16 HB2 LYS 2 1HB LYS 2 -1.368 -20.186 9.138 17 HB3 LYS 2 2HB LYS 2 -3.114 -19.980 9.196 18 HG2 LYS 2 1HG LYS 2 -1.309 -19.588 11.570 19 HG3 LYS 2 2HG LYS 2 -1.803 -18.288 10.482 20 HD2 LYS 2 1HD LYS 2 -3.480 -18.047 11.974 21 HD3 LYS 2 2HD LYS 2 -4.206 -19.367 11.055 22 HE2 LYS 2 1HE LYS 2 -4.404 -20.161 13.204 23 HE3 LYS 2 2HE LYS 2 -2.864 -20.871 12.720 24 HZ1 LYS 2 3HZ LYS 2 -2.143 -18.468 13.739 25 HZ2 LYS 2 1HZ LYS 2 -2.084 -19.939 14.572 26 HZ3 LYS 2 2HZ LYS 2 -3.420 -18.919 14.753 27 H LYS 3 H LYS 3 -4.081 -21.524 8.373 28 HA LYS 3 HA LYS 3 -3.014 -23.871 6.946 29 HB2 LYS 3 1HB LYS 3 -5.301 -24.436 6.263 30 HB3 LYS 3 2HB LYS 3 -5.133 -24.456 8.013 31 HG2 LYS 3 1HG LYS 3 -5.954 -21.913 7.629 32 HG3 LYS 3 2HG LYS 3 -6.762 -22.725 6.286 33 HD2 LYS 3 1HD LYS 3 -6.884 -23.793 9.093 34 HD3 LYS 3 2HD LYS 3 -8.021 -22.575 8.508 35 HE2 LYS 3 1HE LYS 3 -9.202 -24.454 7.995 36 HE3 LYS 3 2HE LYS 3 -8.264 -24.299 6.511 37 HZ1 LYS 3 3HZ LYS 3 -7.418 -25.969 8.811 38 HZ2 LYS 3 1HZ LYS 3 -6.744 -25.939 7.260 39 HZ3 LYS 3 2HZ LYS 3 -8.295 -26.569 7.495 40 H LYS 4 H LYS 4 -2.927 -23.759 4.721 41 HA LYS 4 HA LYS 4 -2.499 -21.288 3.531 42 HB2 LYS 4 1HB LYS 4 -2.501 -24.038 2.718 43 HB3 LYS 4 2HB LYS 4 -3.312 -23.076 1.489 44 HG2 LYS 4 1HG LYS 4 -0.794 -21.944 2.491 45 HG3 LYS 4 2HG LYS 4 -0.642 -23.470 1.616 46 HD2 LYS 4 1HD LYS 4 -2.147 -21.077 0.567 47 HD3 LYS 4 2HD LYS 4 -0.455 -21.417 0.191 48 HE2 LYS 4 1HE LYS 4 -1.014 -22.941 -1.336 49 HE3 LYS 4 2HE LYS 4 -2.141 -23.734 -0.236 50 HZ1 LYS 4 3HZ LYS 4 -3.862 -22.753 -1.215 51 HZ2 LYS 4 1HZ LYS 4 -2.805 -22.302 -2.458 52 HZ3 LYS 4 2HZ LYS 4 -3.131 -21.227 -1.193 53 H ASP 5 H ASP 5 -3.880 -19.711 3.100 54 HA ASP 5 HA ASP 5 -6.278 -20.154 1.626 55 HB2 ASP 5 1HB ASP 5 -6.646 -20.572 4.288 56 HB3 ASP 5 2HB ASP 5 -6.984 -18.847 4.176 57 H LYS 6 H LYS 6 -7.596 -18.002 1.565 58 HA LYS 6 HA LYS 6 -5.686 -15.921 0.925 59 HB2 LYS 6 1HB LYS 6 -7.636 -14.745 -0.022 60 HB3 LYS 6 2HB LYS 6 -7.477 -16.378 -0.653 61 HG2 LYS 6 1HG LYS 6 -9.638 -16.595 -0.176 62 HG3 LYS 6 2HG LYS 6 -9.125 -16.735 1.508 63 HD2 LYS 6 1HD LYS 6 -10.608 -15.034 1.760 64 HD3 LYS 6 2HD LYS 6 -9.197 -14.072 1.313 65 HE2 LYS 6 1HE LYS 6 -10.091 -14.528 -1.126 66 HE3 LYS 6 2HE LYS 6 -11.620 -14.758 -0.277 67 HZ1 LYS 6 3HZ LYS 6 -11.104 -12.528 0.799 68 HZ2 LYS 6 1HZ LYS 6 -11.578 -12.510 -0.826 69 HZ3 LYS 6 2HZ LYS 6 -9.946 -12.327 -0.417 70 H TRP 7 H TRP 7 -8.150 -16.576 3.319 71 HA TRP 7 HA TRP 7 -8.389 -13.965 4.365 72 HB2 TRP 7 2HB TRP 7 -8.890 -16.683 5.581 73 HB3 TRP 7 3HB TRP 7 -9.230 -15.177 6.429 74 HD1 TRP 7 1HD TRP 7 -11.104 -17.650 4.756 75 HE1 TRP 7 1HE TRP 7 -13.213 -16.722 3.609 76 HE3 TRP 7 3HE TRP 7 -9.891 -12.683 4.720 77 HZ2 TRP 7 2HZ TRP 7 -14.228 -14.217 2.797 78 HZ3 TRP 7 3HZ TRP 7 -11.486 -11.087 3.739 79 HH2 TRP 7 2HH TRP 7 -13.609 -11.840 2.797 80 H ALA 8 H ALA 8 -6.580 -16.765 5.644 81 HA ALA 8 HA ALA 8 -5.276 -15.468 7.714 82 HB1 ALA 8 3HB ALA 8 -5.241 -17.867 7.524 83 HB2 ALA 8 1HB ALA 8 -4.315 -17.773 6.025 84 HB3 ALA 8 2HB ALA 8 -3.582 -17.268 7.549 85 H SER 9 H SER 9 -4.355 -15.737 4.311 86 HA SER 9 HA SER 9 -1.822 -14.477 4.610 87 HB2 SER 9 1HB SER 9 -3.194 -15.791 2.552 88 HB3 SER 9 2HB SER 9 -2.961 -14.144 1.965 89 HG SER 9 HG SER 9 -0.936 -15.860 2.977 90 H LEU 10 H LEU 10 -5.068 -13.323 4.221 91 HA LEU 10 HA LEU 10 -4.669 -10.797 3.156 92 HB2 LEU 10 1HB LEU 10 -6.845 -12.000 3.777 93 HB3 LEU 10 2HB LEU 10 -6.608 -11.324 5.387 94 HG LEU 10 HG LEU 10 -6.710 -9.568 2.954 95 HD11 LEU 10 1HD1 LEU 10 -8.991 -9.476 2.941 96 HD12 LEU 10 2HD1 LEU 10 -9.135 -9.991 4.621 97 HD13 LEU 10 3HD1 LEU 10 -8.759 -11.172 3.367 98 HD21 LEU 10 3HD2 LEU 10 -6.326 -9.178 5.747 99 HD22 LEU 10 1HD2 LEU 10 -7.863 -8.446 5.284 100 HD23 LEU 10 2HD2 LEU 10 -6.378 -7.974 4.458 101 H TRP 11 H TRP 11 -3.970 -12.002 6.344 102 HA TRP 11 HA TRP 11 -3.667 -9.440 7.581 103 HB2 TRP 11 2HB TRP 11 -2.354 -11.954 8.577 104 HB3 TRP 11 3HB TRP 11 -3.000 -10.602 9.503 105 HD1 TRP 11 1HD TRP 11 -3.770 -13.901 9.546 106 HE1 TRP 11 1HE TRP 11 -6.283 -14.454 9.592 107 HE3 TRP 11 3HE TRP 11 -5.611 -9.443 7.854 108 HZ2 TRP 11 2HZ TRP 11 -8.724 -13.170 8.987 109 HZ3 TRP 11 3HZ TRP 11 -8.047 -9.187 7.615 110 HH2 TRP 11 2HH TRP 11 -9.568 -11.013 8.170 111 H ASN 12 H ASN 12 -1.565 -11.657 5.871 112 HA ASN 12 HA ASN 12 0.825 -10.171 6.565 113 HB2 ASN 12 1HB ASN 12 0.725 -12.288 4.440 114 HB3 ASN 12 2HB ASN 12 2.039 -11.880 5.540 115 HD21 ASN 12 2HD2 ASN 12 0.766 -11.890 7.956 116 HD22 ASN 12 1HD2 ASN 12 0.212 -13.486 8.316 117 H TRP 13 H TRP 13 -1.526 -10.260 4.043 118 HA TRP 13 HA TRP 13 0.149 -8.870 2.129 119 HB2 TRP 13 2HB TRP 13 -1.404 -10.435 1.199 120 HB3 TRP 13 3HB TRP 13 -2.748 -9.722 2.087 121 HD1 TRP 13 1HD TRP 13 -0.162 -8.347 -0.480 122 HE1 TRP 13 1HE TRP 13 -1.442 -6.892 -2.175 123 HE3 TRP 13 3HE TRP 13 -4.878 -8.831 1.433 124 HZ2 TRP 13 2HZ TRP 13 -4.099 -6.060 -2.639 125 HZ3 TRP 13 3HZ TRP 13 -6.733 -7.674 0.304 126 HH2 TRP 13 2HH TRP 13 -6.349 -6.317 -1.688 127 H PHE 14 H PHE 14 -2.866 -8.156 3.894 128 HA PHE 14 HA PHE 14 -3.135 -5.500 3.118 129 HB2 PHE 14 2HB PHE 14 -4.947 -6.596 4.244 130 HB3 PHE 14 3HB PHE 14 -3.958 -6.891 5.670 131 HD1 PHE 14 1HD PHE 14 -5.209 -4.061 3.592 132 HD2 PHE 14 2HD PHE 14 -4.182 -5.481 7.470 133 HE1 PHE 14 1HE PHE 14 -6.005 -1.948 4.571 134 HE2 PHE 14 2HE PHE 14 -4.977 -3.372 8.457 135 HZ PHE 14 HZ PHE 14 -5.890 -1.602 7.007 136 H ASP 15 H ASP 15 -0.960 -6.952 5.381 137 HA ASP 15 HA ASP 15 -0.307 -4.538 6.784 138 HB2 ASP 15 1HB ASP 15 -0.021 -7.004 7.560 139 HB3 ASP 15 2HB ASP 15 1.488 -6.942 6.655 140 H ILE 16 H ILE 16 0.761 -6.095 3.880 141 HA ILE 16 HA ILE 16 3.204 -4.549 3.700 142 HB ILE 16 HB ILE 16 1.904 -6.371 1.671 143 HG12 ILE 16 1HG1 ILE 16 4.374 -6.952 3.288 144 HG13 ILE 16 2HG1 ILE 16 2.771 -7.324 3.912 145 HG21 ILE 16 1HG2 ILE 16 4.324 -6.351 0.771 146 HG22 ILE 16 2HG2 ILE 16 3.272 -4.983 0.409 147 HG23 ILE 16 3HG2 ILE 16 4.483 -4.851 1.684 148 HD11 ILE 16 3HD1 ILE 16 4.292 -8.587 1.706 149 HD12 ILE 16 1HD1 ILE 16 3.295 -9.317 2.964 150 HD13 ILE 16 2HD1 ILE 16 2.534 -8.531 1.581 151 H THR 17 H THR 17 -0.033 -4.527 2.337 152 HA THR 17 HA THR 17 0.588 -2.370 0.504 153 HB THR 17 HB THR 17 -1.056 -4.155 -0.085 154 HG1 THR 17 1HG THR 17 -2.037 -2.711 -1.304 155 HG21 THR 17 3HG2 THR 17 -3.077 -2.775 1.627 156 HG22 THR 17 1HG2 THR 17 -2.047 -4.014 2.343 157 HG23 THR 17 2HG2 THR 17 -3.087 -4.413 0.976 158 H ASN 18 H ASN 18 -0.405 -2.698 3.744 159 HA ASN 18 HA ASN 18 -2.091 -0.570 4.195 160 HB2 ASN 18 1HB ASN 18 -0.640 -2.330 5.778 161 HB3 ASN 18 2HB ASN 18 -0.022 -0.747 6.241 162 HD21 ASN 18 2HD2 ASN 18 -1.484 -2.450 7.924 163 HD22 ASN 18 1HD2 ASN 18 -2.978 -1.672 8.313 164 H TRP 19 H TRP 19 1.471 -0.481 4.375 165 HA TRP 19 HA TRP 19 1.471 2.404 4.470 166 HB2 TRP 19 2HB TRP 19 3.803 2.253 4.807 167 HB3 TRP 19 3HB TRP 19 3.132 0.861 5.652 168 HD1 TRP 19 1HD TRP 19 3.072 -1.450 3.852 169 HE1 TRP 19 1HE TRP 19 5.083 -2.322 2.503 170 HE3 TRP 19 3HE TRP 19 5.926 2.791 3.821 171 HZ2 TRP 19 2HZ TRP 19 7.553 -1.341 1.552 172 HZ3 TRP 19 3HZ TRP 19 8.100 2.741 2.669 173 HH2 TRP 19 2HH TRP 19 8.895 0.717 1.560 174 H LEU 20 H LEU 20 1.976 -0.104 2.089 175 HA LEU 20 HA LEU 20 3.264 1.390 0.102 176 HB2 LEU 20 1HB LEU 20 2.190 -1.187 0.370 177 HB3 LEU 20 2HB LEU 20 1.398 -0.479 -1.036 178 HG LEU 20 HG LEU 20 4.357 -0.888 -0.623 179 HD11 LEU 20 1HD1 LEU 20 4.234 -2.534 -2.249 180 HD12 LEU 20 2HD1 LEU 20 2.686 -1.955 -2.863 181 HD13 LEU 20 3HD1 LEU 20 2.761 -2.799 -1.316 182 HD21 LEU 20 3HD2 LEU 20 4.553 0.959 -1.889 183 HD22 LEU 20 1HD2 LEU 20 2.872 0.901 -2.420 184 HD23 LEU 20 2HD2 LEU 20 4.081 -0.116 -3.205 185 H TRP 21 H TRP 21 0.028 1.488 1.244 186 HA TRP 21 HA TRP 21 -1.323 2.408 -1.030 187 HB2 TRP 21 2HB TRP 21 -2.443 1.671 1.051 188 HB3 TRP 21 3HB TRP 21 -1.861 3.122 1.862 189 HD1 TRP 21 1HD TRP 21 -4.652 1.862 -0.301 190 HE1 TRP 21 1HE TRP 21 -6.291 3.780 -0.810 191 HE3 TRP 21 3HE TRP 21 -1.863 5.789 1.412 192 HZ2 TRP 21 2HZ TRP 21 -6.388 6.586 -0.526 193 HZ3 TRP 21 3HZ TRP 21 -2.801 8.059 1.256 194 HH2 TRP 21 2HH TRP 21 -5.017 8.447 0.307 195 H TYR 22 H TYR 22 0.490 4.150 1.458 196 HA TYR 22 HA TYR 22 -0.137 6.750 0.531 197 HB2 TYR 22 2HB TYR 22 1.216 5.680 2.707 198 HB3 TYR 22 3HB TYR 22 2.469 6.537 1.816 199 HD1 TYR 22 2HD TYR 22 0.840 8.786 0.707 200 HD2 TYR 22 1HD TYR 22 0.917 7.047 4.589 201 HE1 TYR 22 2HE TYR 22 0.072 10.915 1.669 202 HE2 TYR 22 1HE TYR 22 0.148 9.171 5.562 203 HH TYR 22 HH TYR 22 0.385 11.943 4.347 204 H ILE 23 H ILE 23 2.467 4.489 -0.193 205 HA ILE 23 HA ILE 23 4.217 6.105 -1.579 206 HB ILE 23 HB ILE 23 3.479 3.220 -1.888 207 HG12 ILE 23 1HG1 ILE 23 5.885 2.965 -1.216 208 HG13 ILE 23 2HG1 ILE 23 5.972 4.715 -1.050 209 HG21 ILE 23 1HG2 ILE 23 3.963 3.630 -4.118 210 HG22 ILE 23 2HG2 ILE 23 5.171 4.855 -3.735 211 HG23 ILE 23 3HG2 ILE 23 5.529 3.150 -3.465 212 HD11 ILE 23 3HD1 ILE 23 5.511 3.154 1.010 213 HD12 ILE 23 1HD1 ILE 23 4.737 4.731 0.861 214 HD13 ILE 23 2HD1 ILE 23 3.848 3.269 0.433 215 H LYS 24 H LYS 24 1.463 4.292 -2.935 216 HA LYS 24 HA LYS 24 1.683 5.101 -5.570 217 HB2 LYS 24 1HB LYS 24 -0.471 4.063 -3.851 218 HB3 LYS 24 2HB LYS 24 -1.024 4.970 -5.253 219 HG2 LYS 24 1HG LYS 24 -0.927 2.663 -5.842 220 HG3 LYS 24 2HG LYS 24 0.381 3.498 -6.682 221 HD2 LYS 24 1HD LYS 24 1.566 1.727 -5.888 222 HD3 LYS 24 2HD LYS 24 1.703 2.781 -4.479 223 HE2 LYS 24 1HE LYS 24 0.777 1.168 -3.264 224 HE3 LYS 24 2HE LYS 24 -0.717 1.412 -4.167 225 HZ1 LYS 24 3HZ LYS 24 0.018 -0.901 -4.212 226 HZ2 LYS 24 1HZ LYS 24 1.468 -0.439 -4.953 227 HZ3 LYS 24 2HZ LYS 24 -0.000 -0.231 -5.766 228 H LEU 25 H LEU 25 0.420 6.834 -2.811 229 HA LEU 25 HA LEU 25 -0.786 8.930 -4.360 230 HB2 LEU 25 1HB LEU 25 -0.374 8.330 -1.495 231 HB3 LEU 25 2HB LEU 25 -0.541 10.031 -1.927 232 HG LEU 25 HG LEU 25 -2.660 8.991 -1.198 233 HD11 LEU 25 1HD1 LEU 25 -2.534 10.909 -2.811 234 HD12 LEU 25 2HD1 LEU 25 -4.013 9.952 -2.895 235 HD13 LEU 25 3HD1 LEU 25 -2.754 9.739 -4.111 236 HD21 LEU 25 3HD2 LEU 25 -2.742 7.477 -3.772 237 HD22 LEU 25 1HD2 LEU 25 -3.677 7.236 -2.297 238 HD23 LEU 25 2HD2 LEU 25 -1.980 6.759 -2.353 239 H PHE 26 H PHE 26 2.326 8.323 -2.913 240 HA PHE 26 HA PHE 26 3.284 10.999 -3.018 241 HB2 PHE 26 2HB PHE 26 4.386 9.490 -1.533 242 HB3 PHE 26 3HB PHE 26 4.685 8.334 -2.826 243 HD1 PHE 26 2HD PHE 26 5.243 12.010 -2.726 244 HD2 PHE 26 1HD PHE 26 6.983 8.134 -2.972 245 HE1 PHE 26 2HE PHE 26 7.447 13.028 -3.121 246 HE2 PHE 26 1HE PHE 26 9.191 9.146 -3.365 247 HZ PHE 26 HZ PHE 26 9.425 11.597 -3.442 248 H ILE 27 H ILE 27 3.230 8.326 -5.275 249 HA ILE 27 HA ILE 27 5.111 9.290 -7.128 250 HB ILE 27 HB ILE 27 2.671 7.604 -7.704 251 HG12 ILE 27 1HG1 ILE 27 5.488 6.701 -7.080 252 HG13 ILE 27 2HG1 ILE 27 4.177 6.712 -5.907 253 HG21 ILE 27 1HG2 ILE 27 3.659 8.534 -9.715 254 HG22 ILE 27 2HG2 ILE 27 5.251 7.958 -9.224 255 HG23 ILE 27 3HG2 ILE 27 3.980 6.803 -9.625 256 HD11 ILE 27 3HD1 ILE 27 4.272 4.516 -6.663 257 HD12 ILE 27 1HD1 ILE 27 2.930 5.223 -7.563 258 HD13 ILE 27 2HD1 ILE 27 4.498 5.005 -8.342 259 H MET 28 H MET 28 1.756 10.078 -6.574 260 HA MET 28 HA MET 28 1.518 11.563 -9.052 261 HB2 MET 28 1HB MET 28 -0.393 11.378 -6.717 262 HB3 MET 28 2HB MET 28 -0.750 12.066 -8.295 263 HG2 MET 28 1HG MET 28 -0.109 9.724 -9.189 264 HG3 MET 28 2HG MET 28 -0.372 9.209 -7.525 265 HE1 MET 28 3HE MET 28 -4.042 10.302 -6.902 266 HE2 MET 28 1HE MET 28 -3.049 8.900 -6.498 267 HE3 MET 28 2HE MET 28 -2.404 10.528 -6.287 268 H ILE 29 H ILE 29 1.455 12.307 -5.569 269 HA ILE 29 HA ILE 29 1.247 15.065 -5.734 270 HB ILE 29 HB ILE 29 2.787 13.463 -3.689 271 HG12 ILE 29 1HG1 ILE 29 0.088 14.608 -3.169 272 HG13 ILE 29 2HG1 ILE 29 0.179 13.184 -4.200 273 HG21 ILE 29 1HG2 ILE 29 2.273 16.329 -3.989 274 HG22 ILE 29 2HG2 ILE 29 1.858 15.676 -2.405 275 HG23 ILE 29 3HG2 ILE 29 3.494 15.488 -3.035 276 HD11 ILE 29 3HD1 ILE 29 1.677 12.279 -2.236 277 HD12 ILE 29 1HD1 ILE 29 0.772 13.477 -1.310 278 HD13 ILE 29 2HD1 ILE 29 -0.082 12.197 -2.170 279 H VAL 30 H VAL 30 4.108 13.017 -5.977 280 HA VAL 30 HA VAL 30 5.986 15.161 -6.006 281 HB VAL 30 HB VAL 30 6.565 12.805 -5.418 282 HG11 VAL 30 1HG1 VAL 30 6.579 12.287 -8.381 283 HG12 VAL 30 2HG1 VAL 30 6.824 11.133 -7.069 284 HG13 VAL 30 3HG1 VAL 30 5.230 11.838 -7.338 285 HG21 VAL 30 3HG2 VAL 30 8.302 13.576 -7.716 286 HG22 VAL 30 1HG2 VAL 30 8.153 14.675 -6.344 287 HG23 VAL 30 2HG2 VAL 30 8.748 13.033 -6.099 288 H GLY 31 H GLY 31 4.090 13.519 -8.438 289 HA2 GLY 31 1HA GLY 31 5.566 14.405 -10.701 290 HA3 GLY 31 2HA GLY 31 3.912 13.809 -10.713 291 H LYS 32 H LYS 32 3.250 15.945 -8.656 292 HA LYS 32 HA LYS 32 2.080 17.806 -10.324 293 HB2 LYS 32 1HB LYS 32 3.022 18.250 -7.485 294 HB3 LYS 32 2HB LYS 32 1.834 19.230 -8.335 295 HG2 LYS 32 1HG LYS 32 1.060 16.473 -8.426 296 HG3 LYS 32 2HG LYS 32 1.382 16.959 -6.759 297 HD2 LYS 32 1HD LYS 32 -0.164 18.893 -8.347 298 HD3 LYS 32 2HD LYS 32 -0.974 17.354 -8.048 299 HE2 LYS 32 1HE LYS 32 -1.024 17.669 -5.771 300 HE3 LYS 32 2HE LYS 32 0.375 18.741 -5.780 301 HZ1 LYS 32 3HZ LYS 32 -2.328 19.440 -6.795 302 HZ2 LYS 32 1HZ LYS 32 -0.985 20.468 -6.762 303 HZ3 LYS 32 2HZ LYS 32 -1.679 19.936 -5.314 304 H LYS 33 H LYS 33 5.273 17.877 -8.827 305 HA LYS 33 HA LYS 33 6.145 19.824 -10.789 306 HB2 LYS 33 1HB LYS 33 5.786 20.454 -7.911 307 HB3 LYS 33 2HB LYS 33 7.266 21.031 -8.665 308 HG2 LYS 33 1HG LYS 33 6.013 22.268 -10.300 309 HG3 LYS 33 2HG LYS 33 4.496 21.588 -9.707 310 HD2 LYS 33 1HD LYS 33 5.862 22.748 -7.503 311 HD3 LYS 33 2HD LYS 33 5.865 23.919 -8.824 312 HE2 LYS 33 1HE LYS 33 3.306 22.544 -8.414 313 HE3 LYS 33 2HE LYS 33 3.820 23.550 -7.060 314 HZ1 LYS 33 3HZ LYS 33 3.215 24.347 -9.831 315 HZ2 LYS 33 1HZ LYS 33 4.237 25.301 -8.879 316 HZ3 LYS 33 2HZ LYS 33 2.646 25.011 -8.383 317 H LYS 34 H LYS 34 7.207 17.710 -11.286 318 HA LYS 34 HA LYS 34 9.103 16.499 -9.641 319 HB2 LYS 34 1HB LYS 34 8.175 16.142 -12.236 320 HB3 LYS 34 2HB LYS 34 9.884 16.500 -12.446 321 HG2 LYS 34 1HG LYS 34 10.296 14.368 -12.014 322 HG3 LYS 34 2HG LYS 34 9.794 14.673 -10.349 323 HD2 LYS 34 1HD LYS 34 7.722 13.753 -10.662 324 HD3 LYS 34 2HD LYS 34 7.682 14.158 -12.378 325 HE2 LYS 34 1HE LYS 34 7.915 11.842 -12.370 326 HE3 LYS 34 2HE LYS 34 9.562 12.420 -12.617 327 HZ1 LYS 34 3HZ LYS 34 9.627 12.266 -10.026 328 HZ2 LYS 34 1HZ LYS 34 9.877 10.887 -10.974 329 HZ3 LYS 34 2HZ LYS 34 8.370 11.156 -10.254 330 H LYS 35 H LYS 35 9.668 18.879 -12.239 331 HA LYS 35 HA LYS 35 11.712 20.191 -10.708 332 HB2 LYS 35 1HB LYS 35 12.411 18.268 -12.860 333 HB3 LYS 35 2HB LYS 35 13.301 19.785 -12.830 334 HG2 LYS 35 1HG LYS 35 13.680 19.241 -10.333 335 HG3 LYS 35 2HG LYS 35 13.229 17.597 -10.795 336 HD2 LYS 35 1HD LYS 35 14.988 17.869 -12.657 337 HD3 LYS 35 2HD LYS 35 15.568 19.241 -11.711 338 HE2 LYS 35 1HE LYS 35 15.981 17.826 -9.813 339 HE3 LYS 35 2HE LYS 35 15.230 16.451 -10.621 340 HZ1 LYS 35 3HZ LYS 35 17.042 16.105 -11.918 341 HZ2 LYS 35 1HZ LYS 35 17.828 16.806 -10.594 342 HZ3 LYS 35 2HZ LYS 35 17.483 17.737 -11.963 343 H LYS 36 H LYS 36 11.055 19.744 -14.184 344 HA LYS 36 HA LYS 36 10.256 22.567 -14.328 345 HB2 LYS 36 1HB LYS 36 11.533 22.876 -16.375 346 HB3 LYS 36 2HB LYS 36 12.600 22.381 -15.067 347 HG2 LYS 36 1HG LYS 36 11.574 20.126 -16.587 348 HG3 LYS 36 2HG LYS 36 12.482 21.271 -17.579 349 HD2 LYS 36 1HD LYS 36 13.533 20.248 -14.955 350 HD3 LYS 36 2HD LYS 36 13.795 19.382 -16.471 351 HE2 LYS 36 1HE LYS 36 14.711 21.594 -17.365 352 HE3 LYS 36 2HE LYS 36 14.755 22.118 -15.682 353 HZ1 LYS 36 3HZ LYS 36 16.395 20.126 -17.053 354 HZ2 LYS 36 1HZ LYS 36 16.011 19.830 -15.432 355 HZ3 LYS 36 2HZ LYS 36 16.826 21.248 -15.863 Start of MODEL 10 1 H1 LYS 1 H LYS 1 0.805 -28.241 -3.267 2 HA LYS 1 HA LYS 1 1.704 -26.278 -2.496 3 HB2 LYS 1 1HB LYS 1 0.494 -25.108 -4.998 4 HB3 LYS 1 2HB LYS 1 1.988 -24.638 -4.196 5 HG2 LYS 1 1HG LYS 1 2.468 -27.258 -4.767 6 HG3 LYS 1 2HG LYS 1 1.483 -26.757 -6.144 7 HD2 LYS 1 1HD LYS 1 3.176 -24.658 -5.952 8 HD3 LYS 1 2HD LYS 1 4.214 -25.963 -5.375 9 HE2 LYS 1 1HE LYS 1 2.657 -26.025 -7.957 10 HE3 LYS 1 2HE LYS 1 4.356 -25.574 -7.826 11 HZ1 LYS 1 3HZ LYS 1 3.906 -28.044 -6.530 12 HZ2 LYS 1 1HZ LYS 1 4.926 -27.699 -7.835 13 HZ3 LYS 1 2HZ LYS 1 3.311 -28.119 -8.112 14 H LYS 2 H LYS 2 -0.818 -26.749 -1.362 15 HA LYS 2 HA LYS 2 -1.704 -23.984 -0.929 16 HB2 LYS 2 1HB LYS 2 -3.337 -25.033 -2.420 17 HB3 LYS 2 2HB LYS 2 -3.529 -26.368 -1.292 18 HG2 LYS 2 1HG LYS 2 -5.136 -25.259 -0.257 19 HG3 LYS 2 2HG LYS 2 -3.997 -23.968 0.136 20 HD2 LYS 2 1HD LYS 2 -4.732 -22.631 -1.539 21 HD3 LYS 2 2HD LYS 2 -5.055 -23.986 -2.623 22 HE2 LYS 2 1HE LYS 2 -7.216 -23.765 -2.162 23 HE3 LYS 2 2HE LYS 2 -6.867 -24.255 -0.504 24 HZ1 LYS 2 3HZ LYS 2 -8.053 -22.039 -0.890 25 HZ2 LYS 2 1HZ LYS 2 -6.536 -21.448 -1.353 26 HZ3 LYS 2 2HZ LYS 2 -6.765 -22.065 0.205 27 H LYS 3 H LYS 3 -1.453 -23.486 1.137 28 HA LYS 3 HA LYS 3 -1.957 -25.555 3.165 29 HB2 LYS 3 1HB LYS 3 0.337 -23.590 3.089 30 HB3 LYS 3 2HB LYS 3 -0.094 -24.532 4.509 31 HG2 LYS 3 1HG LYS 3 0.229 -26.172 2.131 32 HG3 LYS 3 2HG LYS 3 1.686 -25.267 2.550 33 HD2 LYS 3 1HD LYS 3 1.063 -26.143 4.981 34 HD3 LYS 3 2HD LYS 3 0.281 -27.418 4.043 35 HE2 LYS 3 1HE LYS 3 3.125 -26.583 3.547 36 HE3 LYS 3 2HE LYS 3 2.704 -27.795 4.755 37 HZ1 LYS 3 3HZ LYS 3 1.440 -28.882 2.807 38 HZ2 LYS 3 1HZ LYS 3 3.121 -29.056 2.891 39 HZ3 LYS 3 2HZ LYS 3 2.440 -27.933 1.827 40 H LYS 4 H LYS 4 -1.073 -22.103 3.197 41 HA LYS 4 HA LYS 4 -2.781 -21.473 5.348 42 HB2 LYS 4 1HB LYS 4 -1.584 -19.658 3.247 43 HB3 LYS 4 2HB LYS 4 -2.325 -19.117 4.747 44 HG2 LYS 4 1HG LYS 4 0.040 -20.970 4.669 45 HG3 LYS 4 2HG LYS 4 0.189 -19.212 4.721 46 HD2 LYS 4 1HD LYS 4 -1.276 -19.292 6.791 47 HD3 LYS 4 2HD LYS 4 -1.024 -21.039 6.782 48 HE2 LYS 4 1HE LYS 4 0.732 -20.507 8.099 49 HE3 LYS 4 2HE LYS 4 1.520 -20.206 6.551 50 HZ1 LYS 4 3HZ LYS 4 1.544 -17.999 6.895 51 HZ2 LYS 4 1HZ LYS 4 1.416 -18.427 8.526 52 HZ3 LYS 4 2HZ LYS 4 0.036 -17.973 7.659 53 H ASP 5 H ASP 5 -4.268 -19.336 4.815 54 HA ASP 5 HA ASP 5 -6.171 -20.219 2.744 55 HB2 ASP 5 1HB ASP 5 -6.620 -19.419 5.585 56 HB3 ASP 5 2HB ASP 5 -7.849 -18.997 4.396 57 H LYS 6 H LYS 6 -7.677 -18.438 2.054 58 HA LYS 6 HA LYS 6 -6.194 -16.265 1.062 59 HB2 LYS 6 1HB LYS 6 -8.452 -15.352 0.411 60 HB3 LYS 6 2HB LYS 6 -8.109 -16.979 -0.162 61 HG2 LYS 6 1HG LYS 6 -9.992 -17.677 0.761 62 HG3 LYS 6 2HG LYS 6 -9.361 -17.242 2.351 63 HD2 LYS 6 1HD LYS 6 -11.497 -16.153 1.968 64 HD3 LYS 6 2HD LYS 6 -10.207 -14.952 2.036 65 HE2 LYS 6 1HE LYS 6 -11.863 -14.578 0.209 66 HE3 LYS 6 2HE LYS 6 -10.195 -14.727 -0.343 67 HZ1 LYS 6 3HZ LYS 6 -12.111 -16.990 -0.342 68 HZ2 LYS 6 1HZ LYS 6 -10.596 -16.919 -1.092 69 HZ3 LYS 6 2HZ LYS 6 -11.874 -15.978 -1.677 70 H TRP 7 H TRP 7 -8.303 -16.599 3.856 71 HA TRP 7 HA TRP 7 -8.316 -13.809 4.494 72 HB2 TRP 7 2HB TRP 7 -9.029 -16.232 6.161 73 HB3 TRP 7 3HB TRP 7 -9.308 -14.562 6.650 74 HD1 TRP 7 1HD TRP 7 -11.277 -17.250 5.506 75 HE1 TRP 7 1HE TRP 7 -13.313 -16.502 4.122 76 HE3 TRP 7 3HE TRP 7 -9.805 -12.479 4.412 77 HZ2 TRP 7 2HZ TRP 7 -14.180 -14.194 2.747 78 HZ3 TRP 7 3HZ TRP 7 -11.295 -11.066 3.056 79 HH2 TRP 7 2HH TRP 7 -13.436 -11.908 2.242 80 H ALA 8 H ALA 8 -6.571 -16.642 5.732 81 HA ALA 8 HA ALA 8 -5.172 -15.417 7.798 82 HB1 ALA 8 3HB ALA 8 -5.092 -17.913 6.422 83 HB2 ALA 8 1HB ALA 8 -3.444 -17.319 6.630 84 HB3 ALA 8 2HB ALA 8 -4.495 -17.515 8.033 85 H SER 9 H SER 9 -4.229 -15.812 4.391 86 HA SER 9 HA SER 9 -1.741 -14.489 4.640 87 HB2 SER 9 1HB SER 9 -1.691 -14.485 2.220 88 HB3 SER 9 2HB SER 9 -2.357 -16.023 2.765 89 HG SER 9 HG SER 9 -3.551 -15.030 1.037 90 H LEU 10 H LEU 10 -4.998 -13.370 4.170 91 HA LEU 10 HA LEU 10 -4.599 -10.865 3.064 92 HB2 LEU 10 1HB LEU 10 -6.776 -12.071 3.675 93 HB3 LEU 10 2HB LEU 10 -6.571 -11.357 5.272 94 HG LEU 10 HG LEU 10 -6.649 -9.661 2.796 95 HD11 LEU 10 1HD1 LEU 10 -8.927 -9.590 2.746 96 HD12 LEU 10 2HD1 LEU 10 -9.092 -10.042 4.442 97 HD13 LEU 10 3HD1 LEU 10 -8.696 -11.268 3.239 98 HD21 LEU 10 3HD2 LEU 10 -6.329 -8.033 4.268 99 HD22 LEU 10 1HD2 LEU 10 -6.314 -9.201 5.588 100 HD23 LEU 10 2HD2 LEU 10 -7.835 -8.476 5.071 101 H TRP 11 H TRP 11 -3.957 -11.991 6.295 102 HA TRP 11 HA TRP 11 -3.690 -9.400 7.475 103 HB2 TRP 11 2HB TRP 11 -2.381 -11.883 8.553 104 HB3 TRP 11 3HB TRP 11 -3.050 -10.513 9.436 105 HD1 TRP 11 1HD TRP 11 -3.805 -13.815 9.540 106 HE1 TRP 11 1HE TRP 11 -6.317 -14.377 9.554 107 HE3 TRP 11 3HE TRP 11 -5.637 -9.402 7.720 108 HZ2 TRP 11 2HZ TRP 11 -8.752 -13.118 8.882 109 HZ3 TRP 11 3HZ TRP 11 -8.070 -9.163 7.434 110 HH2 TRP 11 2HH TRP 11 -9.593 -10.984 8.005 111 H ASN 12 H ASN 12 -1.544 -11.640 5.855 112 HA ASN 12 HA ASN 12 0.825 -10.126 6.559 113 HB2 ASN 12 1HB ASN 12 0.339 -12.595 4.901 114 HB3 ASN 12 2HB ASN 12 1.910 -11.799 4.934 115 HD21 ASN 12 2HD2 ASN 12 -0.525 -13.374 6.915 116 HD22 ASN 12 1HD2 ASN 12 0.552 -13.872 8.170 117 H TRP 13 H TRP 13 -1.481 -10.279 3.999 118 HA TRP 13 HA TRP 13 0.221 -8.922 2.086 119 HB2 TRP 13 2HB TRP 13 -1.309 -10.513 1.162 120 HB3 TRP 13 3HB TRP 13 -2.671 -9.788 2.013 121 HD1 TRP 13 1HD TRP 13 -0.040 -8.421 -0.515 122 HE1 TRP 13 1HE TRP 13 -1.298 -7.021 -2.271 123 HE3 TRP 13 3HE TRP 13 -4.800 -8.970 1.268 124 HZ2 TRP 13 2HZ TRP 13 -3.957 -6.253 -2.827 125 HZ3 TRP 13 3HZ TRP 13 -6.643 -7.870 0.066 126 HH2 TRP 13 2HH TRP 13 -6.229 -6.539 -1.939 127 H PHE 14 H PHE 14 -2.847 -8.184 3.749 128 HA PHE 14 HA PHE 14 -3.089 -5.541 2.923 129 HB2 PHE 14 2HB PHE 14 -4.940 -6.621 3.999 130 HB3 PHE 14 3HB PHE 14 -4.003 -6.891 5.464 131 HD1 PHE 14 1HD PHE 14 -4.859 -3.972 3.296 132 HD2 PHE 14 2HD PHE 14 -4.613 -5.577 7.231 133 HE1 PHE 14 1HE PHE 14 -5.689 -1.844 4.212 134 HE2 PHE 14 2HE PHE 14 -5.444 -3.453 8.153 135 HZ PHE 14 HZ PHE 14 -5.985 -1.584 6.644 136 H ASP 15 H ASP 15 -0.998 -6.955 5.285 137 HA ASP 15 HA ASP 15 -0.399 -4.531 6.686 138 HB2 ASP 15 1HB ASP 15 -0.131 -6.911 7.572 139 HB3 ASP 15 2HB ASP 15 1.331 -6.999 6.595 140 H ILE 16 H ILE 16 0.768 -6.091 3.822 141 HA ILE 16 HA ILE 16 3.202 -4.525 3.706 142 HB ILE 16 HB ILE 16 1.980 -6.368 1.649 143 HG12 ILE 16 1HG1 ILE 16 4.404 -6.919 3.345 144 HG13 ILE 16 2HG1 ILE 16 2.785 -7.304 3.919 145 HG21 ILE 16 1HG2 ILE 16 3.422 -5.410 0.246 146 HG22 ILE 16 2HG2 ILE 16 4.222 -4.530 1.549 147 HG23 ILE 16 3HG2 ILE 16 4.696 -6.188 1.183 148 HD11 ILE 16 3HD1 ILE 16 3.916 -9.229 2.916 149 HD12 ILE 16 1HD1 ILE 16 2.444 -8.793 2.049 150 HD13 ILE 16 2HD1 ILE 16 4.019 -8.357 1.387 151 H THR 17 H THR 17 0.015 -4.553 2.222 152 HA THR 17 HA THR 17 0.673 -2.384 0.417 153 HB THR 17 HB THR 17 -0.912 -4.197 -0.240 154 HG1 THR 17 1HG THR 17 -2.538 -2.623 -1.028 155 HG21 THR 17 3HG2 THR 17 -3.046 -2.865 1.358 156 HG22 THR 17 1HG2 THR 17 -2.007 -4.044 2.156 157 HG23 THR 17 2HG2 THR 17 -2.960 -4.517 0.750 158 H ASN 18 H ASN 18 -0.447 -2.732 3.612 159 HA ASN 18 HA ASN 18 -2.189 -0.636 3.993 160 HB2 ASN 18 1HB ASN 18 -0.677 -2.345 5.635 161 HB3 ASN 18 2HB ASN 18 -0.274 -0.712 6.155 162 HD21 ASN 18 2HD2 ASN 18 -2.536 0.666 5.885 163 HD22 ASN 18 1HD2 ASN 18 -3.789 0.008 6.876 164 H TRP 19 H TRP 19 1.360 -0.485 4.323 165 HA TRP 19 HA TRP 19 1.306 2.399 4.419 166 HB2 TRP 19 2HB TRP 19 3.625 2.290 4.853 167 HB3 TRP 19 3HB TRP 19 2.943 0.886 5.669 168 HD1 TRP 19 1HD TRP 19 2.999 -1.425 3.866 169 HE1 TRP 19 1HE TRP 19 5.080 -2.259 2.603 170 HE3 TRP 19 3HE TRP 19 5.777 2.866 3.956 171 HZ2 TRP 19 2HZ TRP 19 7.569 -1.234 1.757 172 HZ3 TRP 19 3HZ TRP 19 7.998 2.856 2.898 173 HH2 TRP 19 2HH TRP 19 8.874 0.847 1.822 174 H LEU 20 H LEU 20 1.954 -0.095 2.060 175 HA LEU 20 HA LEU 20 3.297 1.424 0.129 176 HB2 LEU 20 1HB LEU 20 2.259 -1.173 0.351 177 HB3 LEU 20 2HB LEU 20 1.517 -0.477 -1.088 178 HG LEU 20 HG LEU 20 4.462 -0.835 -0.548 179 HD11 LEU 20 1HD1 LEU 20 3.016 -1.914 -2.911 180 HD12 LEU 20 2HD1 LEU 20 2.831 -2.732 -1.361 181 HD13 LEU 20 3HD1 LEU 20 4.434 -2.538 -2.070 182 HD21 LEU 20 3HD2 LEU 20 4.501 1.134 -1.726 183 HD22 LEU 20 1HD2 LEU 20 2.997 0.783 -2.577 184 HD23 LEU 20 2HD2 LEU 20 4.487 -0.037 -3.046 185 H TRP 21 H TRP 21 0.017 1.464 1.137 186 HA TRP 21 HA TRP 21 -1.257 2.359 -1.192 187 HB2 TRP 21 2HB TRP 21 -2.449 1.603 0.841 188 HB3 TRP 21 3HB TRP 21 -1.925 3.062 1.675 189 HD1 TRP 21 1HD TRP 21 -4.603 1.758 -0.602 190 HE1 TRP 21 1HE TRP 21 -6.252 3.647 -1.178 191 HE3 TRP 21 3HE TRP 21 -1.956 5.730 1.229 192 HZ2 TRP 21 2HZ TRP 21 -6.409 6.451 -0.894 193 HZ3 TRP 21 3HZ TRP 21 -2.927 7.983 1.036 194 HH2 TRP 21 2HH TRP 21 -5.107 8.334 -0.003 195 H TYR 22 H TYR 22 0.422 4.133 1.366 196 HA TYR 22 HA TYR 22 -0.213 6.722 0.411 197 HB2 TYR 22 2HB TYR 22 1.073 5.674 2.642 198 HB3 TYR 22 3HB TYR 22 2.340 6.562 1.804 199 HD1 TYR 22 2HD TYR 22 0.711 8.778 0.634 200 HD2 TYR 22 1HD TYR 22 0.657 7.027 4.512 201 HE1 TYR 22 2HE TYR 22 -0.145 10.886 1.568 202 HE2 TYR 22 1HE TYR 22 -0.199 9.130 5.456 203 HH TYR 22 HH TYR 22 -1.251 11.123 4.861 204 H ILE 23 H ILE 23 2.458 4.506 -0.201 205 HA ILE 23 HA ILE 23 4.235 6.154 -1.515 206 HB ILE 23 HB ILE 23 3.563 3.254 -1.850 207 HG12 ILE 23 1HG1 ILE 23 5.941 3.041 -1.077 208 HG13 ILE 23 2HG1 ILE 23 5.993 4.793 -0.912 209 HG21 ILE 23 1HG2 ILE 23 5.692 3.236 -3.335 210 HG22 ILE 23 2HG2 ILE 23 4.137 3.650 -4.053 211 HG23 ILE 23 3HG2 ILE 23 5.282 4.923 -3.636 212 HD11 ILE 23 3HD1 ILE 23 3.834 3.311 0.484 213 HD12 ILE 23 1HD1 ILE 23 5.472 3.229 1.131 214 HD13 ILE 23 2HD1 ILE 23 4.675 4.791 0.944 215 H LYS 24 H LYS 24 1.580 4.286 -2.986 216 HA LYS 24 HA LYS 24 1.893 5.100 -5.610 217 HB2 LYS 24 1HB LYS 24 -0.313 4.026 -3.979 218 HB3 LYS 24 2HB LYS 24 -0.823 4.922 -5.405 219 HG2 LYS 24 1HG LYS 24 -0.663 2.618 -5.989 220 HG3 LYS 24 2HG LYS 24 0.667 3.474 -6.772 221 HD2 LYS 24 1HD LYS 24 1.851 1.729 -5.927 222 HD3 LYS 24 2HD LYS 24 1.900 2.777 -4.507 223 HE2 LYS 24 1HE LYS 24 0.486 1.461 -3.323 224 HE3 LYS 24 2HE LYS 24 -0.446 0.996 -4.746 225 HZ1 LYS 24 3HZ LYS 24 1.403 -0.542 -3.437 226 HZ2 LYS 24 1HZ LYS 24 2.209 -0.039 -4.838 227 HZ3 LYS 24 2HZ LYS 24 0.734 -0.856 -4.959 228 H LEU 25 H LEU 25 0.465 6.806 -2.911 229 HA LEU 25 HA LEU 25 -0.708 8.879 -4.509 230 HB2 LEU 25 1HB LEU 25 -0.391 8.297 -1.628 231 HB3 LEU 25 2HB LEU 25 -0.574 9.992 -2.072 232 HG LEU 25 HG LEU 25 -2.699 8.912 -1.419 233 HD11 LEU 25 1HD1 LEU 25 -2.616 9.713 -4.324 234 HD12 LEU 25 2HD1 LEU 25 -2.629 10.838 -2.965 235 HD13 LEU 25 3HD1 LEU 25 -4.010 9.778 -3.245 236 HD21 LEU 25 3HD2 LEU 25 -1.948 6.689 -2.522 237 HD22 LEU 25 1HD2 LEU 25 -2.632 7.387 -3.991 238 HD23 LEU 25 2HD2 LEU 25 -3.651 7.146 -2.572 239 H PHE 26 H PHE 26 2.354 8.341 -2.928 240 HA PHE 26 HA PHE 26 3.266 11.034 -3.018 241 HB2 PHE 26 2HB PHE 26 4.335 9.562 -1.474 242 HB3 PHE 26 3HB PHE 26 4.705 8.395 -2.740 243 HD1 PHE 26 1HD PHE 26 5.197 12.082 -2.657 244 HD2 PHE 26 2HD PHE 26 7.010 8.233 -2.796 245 HE1 PHE 26 1HE PHE 26 7.399 13.133 -2.975 246 HE2 PHE 26 2HE PHE 26 9.214 9.278 -3.113 247 HZ PHE 26 HZ PHE 26 9.411 11.732 -3.202 248 H ILE 27 H ILE 27 3.368 8.337 -5.248 249 HA ILE 27 HA ILE 27 5.303 9.325 -7.030 250 HB ILE 27 HB ILE 27 2.927 7.582 -7.687 251 HG12 ILE 27 1HG1 ILE 27 5.740 6.756 -6.944 252 HG13 ILE 27 2HG1 ILE 27 4.378 6.732 -5.829 253 HG21 ILE 27 1HG2 ILE 27 5.141 8.617 -9.255 254 HG22 ILE 27 2HG2 ILE 27 5.047 6.857 -9.296 255 HG23 ILE 27 3HG2 ILE 27 3.656 7.826 -9.780 256 HD11 ILE 27 3HD1 ILE 27 4.022 4.651 -6.488 257 HD12 ILE 27 1HD1 ILE 27 3.486 5.312 -8.033 258 HD13 ILE 27 2HD1 ILE 27 5.164 4.807 -7.823 259 H MET 28 H MET 28 1.910 10.043 -6.629 260 HA MET 28 HA MET 28 1.751 11.504 -9.128 261 HB2 MET 28 1HB MET 28 -0.258 11.291 -6.878 262 HB3 MET 28 2HB MET 28 -0.561 11.963 -8.475 263 HG2 MET 28 1HG MET 28 0.181 9.624 -9.315 264 HG3 MET 28 2HG MET 28 -0.168 9.121 -7.663 265 HE1 MET 28 3HE MET 28 -2.578 8.904 -6.649 266 HE2 MET 28 1HE MET 28 -2.542 10.668 -6.682 267 HE3 MET 28 2HE MET 28 -3.954 9.803 -7.290 268 H ILE 29 H ILE 29 1.450 12.290 -5.663 269 HA ILE 29 HA ILE 29 1.204 15.030 -5.854 270 HB ILE 29 HB ILE 29 2.710 13.486 -3.739 271 HG12 ILE 29 1HG1 ILE 29 -0.041 14.555 -3.336 272 HG13 ILE 29 2HG1 ILE 29 0.134 13.125 -4.347 273 HG21 ILE 29 1HG2 ILE 29 2.132 16.334 -4.082 274 HG22 ILE 29 2HG2 ILE 29 1.661 15.685 -2.513 275 HG23 ILE 29 3HG2 ILE 29 3.329 15.532 -3.066 276 HD11 ILE 29 3HD1 ILE 29 0.614 13.468 -1.439 277 HD12 ILE 29 1HD1 ILE 29 -0.189 12.162 -2.309 278 HD13 ILE 29 2HD1 ILE 29 1.572 12.277 -2.319 279 H VAL 30 H VAL 30 4.169 13.090 -5.815 280 HA VAL 30 HA VAL 30 5.986 15.244 -5.802 281 HB VAL 30 HB VAL 30 6.586 12.877 -5.291 282 HG11 VAL 30 1HG1 VAL 30 5.324 11.942 -7.257 283 HG12 VAL 30 2HG1 VAL 30 6.659 12.485 -8.276 284 HG13 VAL 30 3HG1 VAL 30 6.941 11.284 -7.014 285 HG21 VAL 30 3HG2 VAL 30 8.361 13.793 -7.512 286 HG22 VAL 30 1HG2 VAL 30 8.182 14.788 -6.067 287 HG23 VAL 30 2HG2 VAL 30 8.788 13.137 -5.933 288 H GLY 31 H GLY 31 4.197 13.678 -8.363 289 HA2 GLY 31 1HA GLY 31 5.747 14.851 -10.489 290 HA3 GLY 31 2HA GLY 31 4.237 13.967 -10.660 291 H LYS 32 H LYS 32 3.123 15.874 -8.525 292 HA LYS 32 HA LYS 32 1.801 17.619 -10.276 293 HB2 LYS 32 1HB LYS 32 2.166 17.760 -7.279 294 HB3 LYS 32 2HB LYS 32 1.069 18.792 -8.187 295 HG2 LYS 32 1HG LYS 32 -0.064 16.704 -8.997 296 HG3 LYS 32 2HG LYS 32 0.920 15.811 -7.835 297 HD2 LYS 32 1HD LYS 32 0.001 17.341 -6.055 298 HD3 LYS 32 2HD LYS 32 -1.131 17.943 -7.267 299 HE2 LYS 32 1HE LYS 32 -1.290 15.156 -7.415 300 HE3 LYS 32 2HE LYS 32 -1.233 15.528 -5.692 301 HZ1 LYS 32 3HZ LYS 32 -2.976 17.344 -6.885 302 HZ2 LYS 32 1HZ LYS 32 -3.353 16.097 -5.804 303 HZ3 LYS 32 2HZ LYS 32 -3.389 15.811 -7.471 304 H LYS 33 H LYS 33 4.800 17.916 -8.542 305 HA LYS 33 HA LYS 33 5.010 20.769 -8.917 306 HB2 LYS 33 1HB LYS 33 6.663 18.636 -7.678 307 HB3 LYS 33 2HB LYS 33 7.515 20.061 -8.259 308 HG2 LYS 33 1HG LYS 33 5.800 21.401 -6.913 309 HG3 LYS 33 2HG LYS 33 5.419 19.867 -6.128 310 HD2 LYS 33 1HD LYS 33 7.027 20.707 -4.711 311 HD3 LYS 33 2HD LYS 33 8.011 19.731 -5.803 312 HE2 LYS 33 1HE LYS 33 7.537 22.549 -6.577 313 HE3 LYS 33 2HE LYS 33 8.590 22.271 -5.191 314 HZ1 LYS 33 3HZ LYS 33 10.013 22.276 -7.012 315 HZ2 LYS 33 1HZ LYS 33 8.955 21.382 -7.983 316 HZ3 LYS 33 2HZ LYS 33 9.777 20.628 -6.712 317 H LYS 34 H LYS 34 6.988 18.026 -10.062 318 HA LYS 34 HA LYS 34 8.241 19.574 -12.100 319 HB2 LYS 34 1HB LYS 34 9.217 17.455 -12.832 320 HB3 LYS 34 2HB LYS 34 9.342 17.632 -11.086 321 HG2 LYS 34 1HG LYS 34 7.115 16.265 -11.083 322 HG3 LYS 34 2HG LYS 34 7.658 15.770 -12.688 323 HD2 LYS 34 1HD LYS 34 9.931 15.457 -11.214 324 HD3 LYS 34 2HD LYS 34 8.682 15.040 -10.037 325 HE2 LYS 34 1HE LYS 34 7.715 13.541 -11.869 326 HE3 LYS 34 2HE LYS 34 9.254 13.768 -12.699 327 HZ1 LYS 34 3HZ LYS 34 10.130 13.072 -10.308 328 HZ2 LYS 34 1HZ LYS 34 9.777 11.938 -11.512 329 HZ3 LYS 34 2HZ LYS 34 8.651 12.250 -10.289 330 H LYS 35 H LYS 35 8.247 18.412 -14.415 331 HA LYS 35 HA LYS 35 5.474 17.896 -15.226 332 HB2 LYS 35 1HB LYS 35 6.506 20.342 -15.604 333 HB3 LYS 35 2HB LYS 35 7.134 19.556 -17.048 334 HG2 LYS 35 1HG LYS 35 5.179 20.243 -17.921 335 HG3 LYS 35 2HG LYS 35 4.576 18.759 -17.180 336 HD2 LYS 35 1HD LYS 35 4.488 20.652 -15.141 337 HD3 LYS 35 2HD LYS 35 3.937 21.517 -16.579 338 HE2 LYS 35 1HE LYS 35 2.262 19.809 -16.993 339 HE3 LYS 35 2HE LYS 35 2.846 18.873 -15.619 340 HZ1 LYS 35 3HZ LYS 35 1.838 20.233 -14.147 341 HZ2 LYS 35 1HZ LYS 35 0.813 20.551 -15.455 342 HZ3 LYS 35 2HZ LYS 35 2.064 21.625 -15.081 343 H LYS 36 H LYS 36 5.292 16.187 -16.520 344 HA LYS 36 HA LYS 36 7.397 14.499 -17.153 345 HB2 LYS 36 1HB LYS 36 4.583 14.775 -18.089 346 HB3 LYS 36 2HB LYS 36 5.656 13.745 -19.027 347 HG2 LYS 36 1HG LYS 36 4.852 12.193 -17.590 348 HG3 LYS 36 2HG LYS 36 6.205 12.777 -16.616 349 HD2 LYS 36 1HD LYS 36 4.844 13.613 -15.051 350 HD3 LYS 36 2HD LYS 36 3.790 14.361 -16.252 351 HE2 LYS 36 1HE LYS 36 3.749 11.425 -15.579 352 HE3 LYS 36 2HE LYS 36 2.697 12.617 -14.819 353 HZ1 LYS 36 3HZ LYS 36 1.460 12.854 -16.685 354 HZ2 LYS 36 1HZ LYS 36 1.976 11.265 -16.952 355 HZ3 LYS 36 2HZ LYS 36 2.749 12.549 -17.736 Start of MODEL 11 1 H1 LYS 1 H LYS 1 0.736 -24.658 14.577 2 HA LYS 1 HA LYS 1 -0.394 -26.890 15.769 3 HB2 LYS 1 1HB LYS 1 -1.932 -26.048 17.386 4 HB3 LYS 1 2HB LYS 1 -0.346 -25.414 17.808 5 HG2 LYS 1 1HG LYS 1 -1.217 -23.398 16.285 6 HG3 LYS 1 2HG LYS 1 -2.767 -24.007 16.871 7 HD2 LYS 1 1HD LYS 1 -0.540 -23.592 18.813 8 HD3 LYS 1 2HD LYS 1 -1.437 -22.191 18.223 9 HE2 LYS 1 1HE LYS 1 -3.252 -22.706 19.433 10 HE3 LYS 1 2HE LYS 1 -3.143 -24.420 19.033 11 HZ1 LYS 1 3HZ LYS 1 -1.415 -24.656 20.715 12 HZ2 LYS 1 1HZ LYS 1 -2.847 -24.063 21.394 13 HZ3 LYS 1 2HZ LYS 1 -1.550 -23.016 21.109 14 H LYS 2 H LYS 2 -2.236 -27.482 14.719 15 HA LYS 2 HA LYS 2 -3.822 -27.491 13.088 16 HB2 LYS 2 1HB LYS 2 -4.155 -24.559 13.731 17 HB3 LYS 2 2HB LYS 2 -5.352 -25.636 13.024 18 HG2 LYS 2 1HG LYS 2 -5.029 -26.969 15.251 19 HG3 LYS 2 2HG LYS 2 -4.424 -25.421 15.845 20 HD2 LYS 2 1HD LYS 2 -6.876 -25.109 14.334 21 HD3 LYS 2 2HD LYS 2 -7.081 -26.223 15.689 22 HE2 LYS 2 1HE LYS 2 -7.526 -24.219 16.713 23 HE3 LYS 2 2HE LYS 2 -5.794 -24.358 17.008 24 HZ1 LYS 2 3HZ LYS 2 -6.233 -22.169 16.242 25 HZ2 LYS 2 1HZ LYS 2 -7.130 -22.729 14.922 26 HZ3 LYS 2 2HZ LYS 2 -5.460 -22.985 14.979 27 H LYS 3 H LYS 3 -4.643 -25.883 11.130 28 HA LYS 3 HA LYS 3 -2.178 -25.325 9.624 29 HB2 LYS 3 1HB LYS 3 -4.892 -26.306 8.807 30 HB3 LYS 3 2HB LYS 3 -3.859 -25.496 7.636 31 HG2 LYS 3 1HG LYS 3 -2.316 -27.467 8.988 32 HG3 LYS 3 2HG LYS 3 -3.824 -28.204 8.440 33 HD2 LYS 3 1HD LYS 3 -3.355 -27.118 6.188 34 HD3 LYS 3 2HD LYS 3 -1.731 -26.792 6.801 35 HE2 LYS 3 1HE LYS 3 -2.721 -29.557 7.115 36 HE3 LYS 3 2HE LYS 3 -2.403 -29.028 5.463 37 HZ1 LYS 3 3HZ LYS 3 -0.515 -29.233 7.724 38 HZ2 LYS 3 1HZ LYS 3 -0.176 -28.246 6.393 39 HZ3 LYS 3 2HZ LYS 3 -0.393 -29.909 6.179 40 H LYS 4 H LYS 4 -2.708 -23.712 7.723 41 HA LYS 4 HA LYS 4 -3.739 -21.297 9.015 42 HB2 LYS 4 1HB LYS 4 -2.580 -20.094 7.190 43 HB3 LYS 4 2HB LYS 4 -1.495 -21.124 8.115 44 HG2 LYS 4 1HG LYS 4 -1.112 -22.525 6.373 45 HG3 LYS 4 2HG LYS 4 -2.721 -22.289 5.685 46 HD2 LYS 4 1HD LYS 4 -2.095 -20.442 4.504 47 HD3 LYS 4 2HD LYS 4 -0.883 -19.959 5.695 48 HE2 LYS 4 1HE LYS 4 0.720 -20.909 4.489 49 HE3 LYS 4 2HE LYS 4 -0.117 -22.460 4.552 50 HZ1 LYS 4 3HZ LYS 4 0.339 -21.063 2.305 51 HZ2 LYS 4 1HZ LYS 4 -1.236 -20.571 2.678 52 HZ3 LYS 4 2HZ LYS 4 -0.888 -22.215 2.482 53 H ASP 5 H ASP 5 -4.725 -19.687 7.343 54 HA ASP 5 HA ASP 5 -6.559 -21.112 5.542 55 HB2 ASP 5 1HB ASP 5 -7.270 -19.793 7.973 56 HB3 ASP 5 2HB ASP 5 -7.928 -18.863 6.628 57 H LYS 6 H LYS 6 -7.744 -19.502 4.091 58 HA LYS 6 HA LYS 6 -5.812 -18.002 2.664 59 HB2 LYS 6 1HB LYS 6 -7.619 -18.979 1.445 60 HB3 LYS 6 2HB LYS 6 -8.817 -18.174 2.451 61 HG2 LYS 6 1HG LYS 6 -7.010 -16.315 1.127 62 HG3 LYS 6 2HG LYS 6 -7.931 -17.317 0.003 63 HD2 LYS 6 1HD LYS 6 -9.388 -16.086 2.282 64 HD3 LYS 6 2HD LYS 6 -8.881 -15.030 0.961 65 HE2 LYS 6 1HE LYS 6 -10.163 -17.563 0.163 66 HE3 LYS 6 2HE LYS 6 -11.204 -16.406 0.992 67 HZ1 LYS 6 3HZ LYS 6 -9.781 -14.941 -0.857 68 HZ2 LYS 6 1HZ LYS 6 -11.413 -15.376 -0.944 69 HZ3 LYS 6 2HZ LYS 6 -10.238 -16.350 -1.674 70 H TRP 7 H TRP 7 -8.629 -17.007 4.602 71 HA TRP 7 HA TRP 7 -8.283 -14.246 4.326 72 HB2 TRP 7 2HB TRP 7 -9.510 -15.844 6.582 73 HB3 TRP 7 3HB TRP 7 -9.627 -14.092 6.438 74 HD1 TRP 7 1HD TRP 7 -11.661 -16.963 5.804 75 HE1 TRP 7 1HE TRP 7 -13.418 -16.535 3.972 76 HE3 TRP 7 3HE TRP 7 -9.682 -12.715 3.759 77 HZ2 TRP 7 2HZ TRP 7 -13.901 -14.646 1.930 78 HZ3 TRP 7 3HZ TRP 7 -10.853 -11.660 1.869 79 HH2 TRP 7 2HH TRP 7 -12.918 -12.607 0.975 80 H ALA 8 H ALA 8 -6.741 -16.561 6.440 81 HA ALA 8 HA ALA 8 -5.649 -14.772 8.318 82 HB1 ALA 8 3HB ALA 8 -3.986 -17.098 7.701 83 HB2 ALA 8 1HB ALA 8 -4.729 -16.603 9.221 84 HB3 ALA 8 2HB ALA 8 -5.676 -17.485 8.023 85 H SER 9 H SER 9 -4.463 -15.936 5.199 86 HA SER 9 HA SER 9 -1.901 -14.727 5.393 87 HB2 SER 9 1HB SER 9 -3.426 -16.208 3.390 88 HB3 SER 9 2HB SER 9 -2.430 -14.937 2.681 89 HG SER 9 HG SER 9 -1.598 -17.081 4.337 90 H LEU 10 H LEU 10 -5.036 -13.579 4.474 91 HA LEU 10 HA LEU 10 -4.353 -11.378 2.896 92 HB2 LEU 10 1HB LEU 10 -6.657 -12.371 3.429 93 HB3 LEU 10 2HB LEU 10 -6.616 -11.354 4.867 94 HG LEU 10 HG LEU 10 -6.282 -10.197 2.115 95 HD11 LEU 10 1HD1 LEU 10 -8.523 -10.077 1.740 96 HD12 LEU 10 2HD1 LEU 10 -8.930 -10.137 3.455 97 HD13 LEU 10 3HD1 LEU 10 -8.463 -11.612 2.608 98 HD21 LEU 10 3HD2 LEU 10 -7.668 -8.528 3.922 99 HD22 LEU 10 1HD2 LEU 10 -6.044 -8.317 3.267 100 HD23 LEU 10 2HD2 LEU 10 -6.276 -9.187 4.784 101 H TRP 11 H TRP 11 -4.201 -11.855 6.342 102 HA TRP 11 HA TRP 11 -3.933 -9.089 7.020 103 HB2 TRP 11 2HB TRP 11 -2.931 -11.347 8.733 104 HB3 TRP 11 3HB TRP 11 -3.621 -9.805 9.230 105 HD1 TRP 11 1HD TRP 11 -4.586 -12.992 9.867 106 HE1 TRP 11 1HE TRP 11 -7.108 -13.453 9.642 107 HE3 TRP 11 3HE TRP 11 -5.892 -8.973 6.990 108 HZ2 TRP 11 2HZ TRP 11 -9.353 -12.270 8.406 109 HZ3 TRP 11 3HZ TRP 11 -8.248 -8.711 6.329 110 HH2 TRP 11 2HH TRP 11 -9.941 -10.328 7.024 111 H ASN 12 H ASN 12 -1.735 -11.684 6.187 112 HA ASN 12 HA ASN 12 0.610 -10.139 6.904 113 HB2 ASN 12 1HB ASN 12 0.257 -12.854 5.626 114 HB3 ASN 12 2HB ASN 12 1.831 -12.118 5.909 115 HD21 ASN 12 2HD2 ASN 12 -1.042 -13.403 7.423 116 HD22 ASN 12 1HD2 ASN 12 -0.335 -13.680 8.975 117 H TRP 13 H TRP 13 -1.346 -10.735 4.127 118 HA TRP 13 HA TRP 13 0.667 -9.868 2.234 119 HB2 TRP 13 2HB TRP 13 -0.854 -11.537 1.443 120 HB3 TRP 13 3HB TRP 13 -2.252 -10.590 1.946 121 HD1 TRP 13 1HD TRP 13 0.761 -9.863 -0.414 122 HE1 TRP 13 1HE TRP 13 -0.169 -8.802 -2.565 123 HE3 TRP 13 3HE TRP 13 -4.213 -9.877 0.763 124 HZ2 TRP 13 2HZ TRP 13 -2.681 -8.067 -3.624 125 HZ3 TRP 13 3HZ TRP 13 -5.814 -8.976 -0.874 126 HH2 TRP 13 2HH TRP 13 -5.062 -8.090 -3.021 127 H PHE 14 H PHE 14 -2.546 -8.666 3.220 128 HA PHE 14 HA PHE 14 -2.389 -6.210 1.899 129 HB2 PHE 14 2HB PHE 14 -4.486 -7.119 2.799 130 HB3 PHE 14 3HB PHE 14 -3.890 -6.884 4.438 131 HD1 PHE 14 1HD PHE 14 -5.030 -5.177 1.386 132 HD2 PHE 14 2HD PHE 14 -3.949 -4.750 5.481 133 HE1 PHE 14 1HE PHE 14 -5.962 -2.899 1.392 134 HE2 PHE 14 2HE PHE 14 -4.882 -2.474 5.494 135 HZ PHE 14 HZ PHE 14 -5.891 -1.545 3.448 136 H ASP 15 H ASP 15 -0.985 -7.282 4.878 137 HA ASP 15 HA ASP 15 -0.563 -4.894 6.223 138 HB2 ASP 15 1HB ASP 15 0.456 -7.577 6.343 139 HB3 ASP 15 2HB ASP 15 1.783 -6.438 6.550 140 H ILE 16 H ILE 16 0.973 -6.135 3.366 141 HA ILE 16 HA ILE 16 3.145 -4.219 3.466 142 HB ILE 16 HB ILE 16 2.386 -6.014 1.164 143 HG12 ILE 16 1HG1 ILE 16 4.305 -6.564 3.438 144 HG13 ILE 16 2HG1 ILE 16 2.736 -7.331 3.223 145 HG21 ILE 16 1HG2 ILE 16 4.302 -3.978 1.438 146 HG22 ILE 16 2HG2 ILE 16 5.186 -5.503 1.473 147 HG23 ILE 16 3HG2 ILE 16 4.128 -5.129 0.113 148 HD11 ILE 16 3HD1 ILE 16 3.523 -8.294 1.107 149 HD12 ILE 16 1HD1 ILE 16 5.106 -7.570 1.388 150 HD13 ILE 16 2HD1 ILE 16 4.492 -8.804 2.488 151 H THR 17 H THR 17 -0.004 -4.510 2.048 152 HA THR 17 HA THR 17 0.418 -2.364 0.148 153 HB THR 17 HB THR 17 -1.822 -2.717 -0.576 154 HG1 THR 17 1HG THR 17 -2.128 -4.126 1.876 155 HG21 THR 17 3HG2 THR 17 -1.323 -4.654 -1.564 156 HG22 THR 17 1HG2 THR 17 -1.498 -5.535 -0.048 157 HG23 THR 17 2HG2 THR 17 0.047 -4.795 -0.464 158 H ASN 18 H ASN 18 -0.517 -2.685 3.413 159 HA ASN 18 HA ASN 18 -2.332 -0.649 3.817 160 HB2 ASN 18 1HB ASN 18 -1.256 -2.318 5.499 161 HB3 ASN 18 2HB ASN 18 -0.048 -1.056 5.727 162 HD21 ASN 18 2HD2 ASN 18 -0.588 -0.589 7.812 163 HD22 ASN 18 1HD2 ASN 18 -2.082 0.153 8.265 164 H TRP 19 H TRP 19 1.219 -0.367 4.014 165 HA TRP 19 HA TRP 19 1.059 2.517 4.048 166 HB2 TRP 19 2HB TRP 19 3.382 2.505 4.443 167 HB3 TRP 19 3HB TRP 19 2.782 1.084 5.292 168 HD1 TRP 19 1HD TRP 19 2.863 -1.222 3.441 169 HE1 TRP 19 1HE TRP 19 4.967 -1.989 2.172 170 HE3 TRP 19 3HE TRP 19 5.540 3.131 3.602 171 HZ2 TRP 19 2HZ TRP 19 7.436 -0.895 1.350 172 HZ3 TRP 19 3HZ TRP 19 7.765 3.186 2.551 173 HH2 TRP 19 2HH TRP 19 8.691 1.215 1.449 174 H LEU 20 H LEU 20 1.656 -0.010 1.730 175 HA LEU 20 HA LEU 20 2.974 1.398 -0.273 176 HB2 LEU 20 1HB LEU 20 2.423 -1.086 -0.142 177 HB3 LEU 20 2HB LEU 20 0.846 -0.658 -0.802 178 HG LEU 20 HG LEU 20 2.001 0.271 -2.801 179 HD11 LEU 20 1HD1 LEU 20 4.295 -0.092 -1.161 180 HD12 LEU 20 2HD1 LEU 20 4.186 0.625 -2.767 181 HD13 LEU 20 3HD1 LEU 20 4.461 -1.108 -2.594 182 HD21 LEU 20 3HD2 LEU 20 1.071 -2.026 -2.717 183 HD22 LEU 20 1HD2 LEU 20 2.664 -2.616 -2.242 184 HD23 LEU 20 2HD2 LEU 20 2.438 -1.862 -3.820 185 H TRP 21 H TRP 21 -0.305 1.588 0.795 186 HA TRP 21 HA TRP 21 -1.544 2.609 -1.498 187 HB2 TRP 21 2HB TRP 21 -2.764 1.861 0.519 188 HB3 TRP 21 3HB TRP 21 -2.158 3.267 1.391 189 HD1 TRP 21 1HD TRP 21 -4.915 2.170 -0.900 190 HE1 TRP 21 1HE TRP 21 -6.466 4.161 -1.409 191 HE3 TRP 21 3HE TRP 21 -2.050 5.944 1.019 192 HZ2 TRP 21 2HZ TRP 21 -6.473 6.960 -1.046 193 HZ3 TRP 21 3HZ TRP 21 -2.901 8.249 0.898 194 HH2 TRP 21 2HH TRP 21 -5.067 8.745 -0.115 195 H TYR 22 H TYR 22 0.278 4.217 1.064 196 HA TYR 22 HA TYR 22 -0.248 6.864 0.193 197 HB2 TYR 22 2HB TYR 22 1.009 5.693 2.378 198 HB3 TYR 22 3HB TYR 22 2.311 6.535 1.545 199 HD1 TYR 22 1HD TYR 22 0.782 8.862 0.453 200 HD2 TYR 22 2HD TYR 22 0.695 7.019 4.288 201 HE1 TYR 22 1HE TYR 22 0.048 10.987 1.451 202 HE2 TYR 22 2HE TYR 22 -0.039 9.139 5.296 203 HH TYR 22 HH TYR 22 0.079 12.098 3.644 204 H ILE 23 H ILE 23 2.299 4.533 -0.510 205 HA ILE 23 HA ILE 23 4.142 6.120 -1.807 206 HB ILE 23 HB ILE 23 3.317 3.270 -2.208 207 HG12 ILE 23 1HG1 ILE 23 5.692 2.916 -1.475 208 HG13 ILE 23 2HG1 ILE 23 5.831 4.657 -1.260 209 HG21 ILE 23 1HG2 ILE 23 5.349 3.113 -3.748 210 HG22 ILE 23 2HG2 ILE 23 3.870 3.797 -4.421 211 HG23 ILE 23 3HG2 ILE 23 5.189 4.860 -3.933 212 HD11 ILE 23 3HD1 ILE 23 5.257 3.061 0.744 213 HD12 ILE 23 1HD1 ILE 23 4.541 4.666 0.614 214 HD13 ILE 23 2HD1 ILE 23 3.618 3.245 0.122 215 H LYS 24 H LYS 24 1.371 4.435 -3.285 216 HA LYS 24 HA LYS 24 1.693 5.300 -5.892 217 HB2 LYS 24 1HB LYS 24 -0.561 4.319 -4.258 218 HB3 LYS 24 2HB LYS 24 -1.015 5.245 -5.683 219 HG2 LYS 24 1HG LYS 24 -0.983 2.978 -6.332 220 HG3 LYS 24 2HG LYS 24 0.468 3.713 -7.018 221 HD2 LYS 24 1HD LYS 24 1.515 1.941 -6.112 222 HD3 LYS 24 2HD LYS 24 1.395 2.861 -4.610 223 HE2 LYS 24 1HE LYS 24 0.620 0.625 -4.208 224 HE3 LYS 24 2HE LYS 24 -0.760 1.720 -4.146 225 HZ1 LYS 24 3HZ LYS 24 -0.263 -0.473 -5.912 226 HZ2 LYS 24 1HZ LYS 24 -0.640 0.943 -6.758 227 HZ3 LYS 24 2HZ LYS 24 -1.709 0.345 -5.591 228 H LEU 25 H LEU 25 0.407 7.007 -3.127 229 HA LEU 25 HA LEU 25 -0.681 9.180 -4.659 230 HB2 LEU 25 1HB LEU 25 -0.373 8.502 -1.796 231 HB3 LEU 25 2HB LEU 25 -0.479 10.215 -2.195 232 HG LEU 25 HG LEU 25 -2.647 9.218 -1.552 233 HD11 LEU 25 1HD1 LEU 25 -2.503 10.125 -4.423 234 HD12 LEU 25 2HD1 LEU 25 -2.542 11.182 -3.011 235 HD13 LEU 25 3HD1 LEU 25 -3.929 10.160 -3.387 236 HD21 LEU 25 3HD2 LEU 25 -3.672 7.511 -2.708 237 HD22 LEU 25 1HD2 LEU 25 -1.985 7.000 -2.755 238 HD23 LEU 25 2HD2 LEU 25 -2.712 7.774 -4.164 239 H PHE 26 H PHE 26 2.364 8.431 -3.140 240 HA PHE 26 HA PHE 26 3.414 11.075 -3.146 241 HB2 PHE 26 2HB PHE 26 4.417 9.491 -1.667 242 HB3 PHE 26 3HB PHE 26 4.720 8.359 -2.980 243 HD1 PHE 26 2HD PHE 26 5.394 12.011 -2.762 244 HD2 PHE 26 1HD PHE 26 7.012 8.086 -3.065 245 HE1 PHE 26 2HE PHE 26 7.641 12.964 -3.062 246 HE2 PHE 26 1HE PHE 26 9.263 9.033 -3.365 247 HZ PHE 26 HZ PHE 26 9.580 11.476 -3.364 248 H ILE 27 H ILE 27 3.329 8.465 -5.473 249 HA ILE 27 HA ILE 27 5.300 9.408 -7.243 250 HB ILE 27 HB ILE 27 2.827 7.820 -7.934 251 HG12 ILE 27 1HG1 ILE 27 5.593 6.808 -7.252 252 HG13 ILE 27 2HG1 ILE 27 4.249 6.835 -6.115 253 HG21 ILE 27 1HG2 ILE 27 5.458 8.140 -9.369 254 HG22 ILE 27 2HG2 ILE 27 4.181 7.015 -9.828 255 HG23 ILE 27 3HG2 ILE 27 3.891 8.754 -9.895 256 HD11 ILE 27 3HD1 ILE 27 3.375 5.544 -8.482 257 HD12 ILE 27 1HD1 ILE 27 4.924 4.848 -8.008 258 HD13 ILE 27 2HD1 ILE 27 3.582 4.871 -6.865 259 H MET 28 H MET 28 1.941 10.268 -6.793 260 HA MET 28 HA MET 28 1.847 11.839 -9.227 261 HB2 MET 28 1HB MET 28 -0.170 11.630 -6.985 262 HB3 MET 28 2HB MET 28 -0.441 12.369 -8.558 263 HG2 MET 28 1HG MET 28 0.207 10.025 -9.472 264 HG3 MET 28 2HG MET 28 -0.184 9.487 -7.840 265 HE1 MET 28 3HE MET 28 -2.697 10.971 -6.824 266 HE2 MET 28 1HE MET 28 -3.921 9.892 -7.495 267 HE3 MET 28 2HE MET 28 -2.409 9.231 -6.872 268 H ILE 29 H ILE 29 1.531 12.507 -5.737 269 HA ILE 29 HA ILE 29 1.441 15.262 -5.832 270 HB ILE 29 HB ILE 29 2.818 13.576 -3.738 271 HG12 ILE 29 1HG1 ILE 29 0.038 14.719 -3.584 272 HG13 ILE 29 2HG1 ILE 29 0.337 13.151 -4.326 273 HG21 ILE 29 1HG2 ILE 29 3.530 15.638 -3.117 274 HG22 ILE 29 2HG2 ILE 29 2.206 16.465 -3.936 275 HG23 ILE 29 3HG2 ILE 29 1.930 15.689 -2.377 276 HD11 ILE 29 3HD1 ILE 29 1.564 12.644 -2.088 277 HD12 ILE 29 1HD1 ILE 29 0.585 13.978 -1.478 278 HD13 ILE 29 2HD1 ILE 29 -0.195 12.560 -2.179 279 H VAL 30 H VAL 30 4.305 13.169 -5.731 280 HA VAL 30 HA VAL 30 6.273 15.117 -5.542 281 HB VAL 30 HB VAL 30 6.663 12.658 -5.401 282 HG11 VAL 30 1HG1 VAL 30 6.420 11.253 -7.135 283 HG12 VAL 30 2HG1 VAL 30 5.408 12.530 -7.811 284 HG13 VAL 30 3HG1 VAL 30 7.101 12.399 -8.289 285 HG21 VAL 30 3HG2 VAL 30 8.782 13.318 -5.534 286 HG22 VAL 30 1HG2 VAL 30 8.710 13.098 -7.281 287 HG23 VAL 30 2HG2 VAL 30 8.331 14.669 -6.575 288 H GLY 31 H GLY 31 4.292 14.205 -8.248 289 HA2 GLY 31 1HA GLY 31 5.964 15.503 -10.215 290 HA3 GLY 31 2HA GLY 31 4.370 14.816 -10.487 291 H LYS 32 H LYS 32 3.475 16.474 -8.059 292 HA LYS 32 HA LYS 32 2.548 18.710 -9.593 293 HB2 LYS 32 1HB LYS 32 2.273 18.203 -6.626 294 HB3 LYS 32 2HB LYS 32 1.330 19.339 -7.584 295 HG2 LYS 32 1HG LYS 32 0.670 17.221 -8.944 296 HG3 LYS 32 2HG LYS 32 1.187 16.361 -7.492 297 HD2 LYS 32 1HD LYS 32 -0.339 18.112 -6.280 298 HD3 LYS 32 2HD LYS 32 -1.088 18.256 -7.872 299 HE2 LYS 32 1HE LYS 32 -0.760 15.717 -6.276 300 HE3 LYS 32 2HE LYS 32 -2.260 16.616 -6.506 301 HZ1 LYS 32 3HZ LYS 32 -2.299 14.851 -8.038 302 HZ2 LYS 32 1HZ LYS 32 -0.707 15.126 -8.540 303 HZ3 LYS 32 2HZ LYS 32 -1.925 16.225 -8.951 304 H LYS 33 H LYS 33 5.136 18.124 -7.368 305 HA LYS 33 HA LYS 33 5.880 20.970 -7.534 306 HB2 LYS 33 1HB LYS 33 5.830 19.125 -5.193 307 HB3 LYS 33 2HB LYS 33 7.126 20.311 -5.280 308 HG2 LYS 33 1HG LYS 33 5.727 22.073 -4.950 309 HG3 LYS 33 2HG LYS 33 4.355 21.270 -5.717 310 HD2 LYS 33 1HD LYS 33 4.385 19.703 -3.687 311 HD3 LYS 33 2HD LYS 33 5.428 20.912 -2.934 312 HE2 LYS 33 1HE LYS 33 3.670 22.614 -3.388 313 HE3 LYS 33 2HE LYS 33 2.626 21.319 -3.971 314 HZ1 LYS 33 3HZ LYS 33 3.806 21.029 -1.312 315 HZ2 LYS 33 1HZ LYS 33 2.300 20.514 -1.887 316 HZ3 LYS 33 2HZ LYS 33 2.544 22.141 -1.493 317 H LYS 34 H LYS 34 7.041 20.240 -9.466 318 HA LYS 34 HA LYS 34 9.457 18.676 -8.900 319 HB2 LYS 34 1HB LYS 34 8.188 19.507 -11.515 320 HB3 LYS 34 2HB LYS 34 9.705 18.626 -11.388 321 HG2 LYS 34 1HG LYS 34 7.184 17.574 -10.159 322 HG3 LYS 34 2HG LYS 34 7.573 17.298 -11.858 323 HD2 LYS 34 1HD LYS 34 9.912 16.601 -10.687 324 HD3 LYS 34 2HD LYS 34 8.766 16.141 -9.425 325 HE2 LYS 34 1HE LYS 34 8.057 14.375 -10.590 326 HE3 LYS 34 2HE LYS 34 7.867 15.330 -12.059 327 HZ1 LYS 34 3HZ LYS 34 9.783 14.570 -12.861 328 HZ2 LYS 34 1HZ LYS 34 9.745 13.405 -11.635 329 HZ3 LYS 34 2HZ LYS 34 10.613 14.840 -11.412 330 H LYS 35 H LYS 35 11.313 19.498 -10.538 331 HA LYS 35 HA LYS 35 11.710 22.339 -9.874 332 HB2 LYS 35 1HB LYS 35 13.587 20.009 -10.029 333 HB3 LYS 35 2HB LYS 35 14.200 21.638 -10.289 334 HG2 LYS 35 1HG LYS 35 12.664 21.823 -7.978 335 HG3 LYS 35 2HG LYS 35 13.532 20.293 -7.828 336 HD2 LYS 35 1HD LYS 35 14.938 21.931 -6.871 337 HD3 LYS 35 2HD LYS 35 15.625 21.578 -8.458 338 HE2 LYS 35 1HE LYS 35 15.680 23.899 -8.361 339 HE3 LYS 35 2HE LYS 35 14.205 23.572 -9.269 340 HZ1 LYS 35 3HZ LYS 35 14.257 24.071 -6.345 341 HZ2 LYS 35 1HZ LYS 35 12.896 23.978 -7.344 342 HZ3 LYS 35 2HZ LYS 35 13.970 25.276 -7.497 343 H LYS 36 H LYS 36 13.278 23.457 -11.404 344 HA LYS 36 HA LYS 36 12.429 22.873 -14.150 345 HB2 LYS 36 1HB LYS 36 12.575 25.257 -12.671 346 HB3 LYS 36 2HB LYS 36 13.875 25.356 -13.853 347 HG2 LYS 36 1HG LYS 36 12.434 25.856 -15.454 348 HG3 LYS 36 2HG LYS 36 11.507 24.389 -15.129 349 HD2 LYS 36 1HD LYS 36 10.525 25.731 -13.148 350 HD3 LYS 36 2HD LYS 36 11.145 27.145 -14.004 351 HE2 LYS 36 1HE LYS 36 9.648 26.937 -15.711 352 HE3 LYS 36 2HE LYS 36 9.558 25.183 -15.564 353 HZ1 LYS 36 3HZ LYS 36 7.508 26.380 -14.884 354 HZ2 LYS 36 1HZ LYS 36 8.371 27.059 -13.596 355 HZ3 LYS 36 2HZ LYS 36 8.150 25.385 -13.676 Start of MODEL 12 1 H1 LYS 1 H LYS 1 3.920 -23.192 5.563 2 HA LYS 1 HA LYS 1 4.906 -25.592 4.298 3 HB2 LYS 1 1HB LYS 1 5.776 -26.003 6.494 4 HB3 LYS 1 2HB LYS 1 4.258 -25.526 7.246 5 HG2 LYS 1 1HG LYS 1 3.162 -27.476 6.237 6 HG3 LYS 1 2HG LYS 1 4.706 -27.963 5.533 7 HD2 LYS 1 1HD LYS 1 5.438 -27.687 8.107 8 HD3 LYS 1 2HD LYS 1 3.745 -28.138 8.323 9 HE2 LYS 1 1HE LYS 1 4.335 -30.259 8.024 10 HE3 LYS 1 2HE LYS 1 4.746 -29.862 6.357 11 HZ1 LYS 1 3HZ LYS 1 6.840 -30.330 6.845 12 HZ2 LYS 1 1HZ LYS 1 6.466 -30.577 8.476 13 HZ3 LYS 1 2HZ LYS 1 6.875 -29.030 7.928 14 H LYS 2 H LYS 2 3.236 -25.510 2.861 15 HA LYS 2 HA LYS 2 1.144 -25.831 2.028 16 HB2 LYS 2 1HB LYS 2 0.358 -26.854 4.752 17 HB3 LYS 2 2HB LYS 2 -0.337 -27.281 3.194 18 HG2 LYS 2 1HG LYS 2 2.195 -28.062 2.783 19 HG3 LYS 2 2HG LYS 2 2.089 -28.288 4.531 20 HD2 LYS 2 1HD LYS 2 1.176 -30.274 4.044 21 HD3 LYS 2 2HD LYS 2 -0.278 -29.357 3.638 22 HE2 LYS 2 1HE LYS 2 -0.007 -30.567 1.714 23 HE3 LYS 2 2HE LYS 2 0.920 -29.124 1.309 24 HZ1 LYS 2 3HZ LYS 2 1.814 -31.830 1.668 25 HZ2 LYS 2 1HZ LYS 2 2.745 -30.710 2.527 26 HZ3 LYS 2 2HZ LYS 2 2.556 -30.546 0.854 27 H LYS 3 H LYS 3 1.032 -23.463 2.007 28 HA LYS 3 HA LYS 3 -0.136 -21.930 4.033 29 HB2 LYS 3 1HB LYS 3 -0.439 -20.221 2.378 30 HB3 LYS 3 2HB LYS 3 1.079 -21.041 2.035 31 HG2 LYS 3 1HG LYS 3 -0.105 -22.386 0.315 32 HG3 LYS 3 2HG LYS 3 -1.542 -21.402 0.601 33 HD2 LYS 3 1HD LYS 3 0.389 -19.503 0.219 34 HD3 LYS 3 2HD LYS 3 0.904 -20.781 -0.886 35 HE2 LYS 3 1HE LYS 3 -0.557 -19.271 -2.058 36 HE3 LYS 3 2HE LYS 3 -1.382 -20.814 -1.840 37 HZ1 LYS 3 3HZ LYS 3 -2.671 -18.679 -1.358 38 HZ2 LYS 3 1HZ LYS 3 -1.772 -18.601 0.074 39 HZ3 LYS 3 2HZ LYS 3 -2.773 -19.931 -0.225 40 H LYS 4 H LYS 4 -2.185 -21.537 4.647 41 HA LYS 4 HA LYS 4 -4.394 -22.436 2.956 42 HB2 LYS 4 1HB LYS 4 -5.481 -23.582 4.844 43 HB3 LYS 4 2HB LYS 4 -3.948 -24.334 4.417 44 HG2 LYS 4 1HG LYS 4 -2.862 -23.235 6.290 45 HG3 LYS 4 2HG LYS 4 -4.374 -22.423 6.706 46 HD2 LYS 4 1HD LYS 4 -5.314 -24.866 6.776 47 HD3 LYS 4 2HD LYS 4 -3.616 -25.298 6.995 48 HE2 LYS 4 1HE LYS 4 -4.806 -23.139 8.677 49 HE3 LYS 4 2HE LYS 4 -5.161 -24.822 9.061 50 HZ1 LYS 4 3HZ LYS 4 -2.947 -23.413 9.832 51 HZ2 LYS 4 1HZ LYS 4 -2.380 -24.407 8.584 52 HZ3 LYS 4 2HZ LYS 4 -3.149 -25.090 9.927 53 H ASP 5 H ASP 5 -6.552 -21.826 4.128 54 HA ASP 5 HA ASP 5 -7.927 -20.114 4.733 55 HB2 ASP 5 1HB ASP 5 -5.693 -19.932 6.724 56 HB3 ASP 5 2HB ASP 5 -6.974 -18.724 6.735 57 H LYS 6 H LYS 6 -7.611 -19.110 2.655 58 HA LYS 6 HA LYS 6 -5.666 -17.277 1.967 59 HB2 LYS 6 1HB LYS 6 -7.318 -16.331 0.401 60 HB3 LYS 6 2HB LYS 6 -7.311 -18.090 0.369 61 HG2 LYS 6 1HG LYS 6 -9.511 -17.997 0.618 62 HG3 LYS 6 2HG LYS 6 -9.224 -17.450 2.271 63 HD2 LYS 6 1HD LYS 6 -10.548 -15.742 1.526 64 HD3 LYS 6 2HD LYS 6 -8.966 -15.108 1.067 65 HE2 LYS 6 1HE LYS 6 -9.504 -16.490 -1.144 66 HE3 LYS 6 2HE LYS 6 -11.158 -16.174 -0.623 67 HZ1 LYS 6 3HZ LYS 6 -9.059 -14.129 -1.102 68 HZ2 LYS 6 1HZ LYS 6 -10.625 -13.806 -0.548 69 HZ3 LYS 6 2HZ LYS 6 -10.390 -14.443 -2.098 70 H TRP 7 H TRP 7 -8.505 -16.841 3.981 71 HA TRP 7 HA TRP 7 -8.462 -14.021 4.094 72 HB2 TRP 7 2HB TRP 7 -9.543 -16.088 6.014 73 HB3 TRP 7 3HB TRP 7 -9.779 -14.355 6.223 74 HD1 TRP 7 1HD TRP 7 -11.704 -17.111 5.124 75 HE1 TRP 7 1HE TRP 7 -13.470 -16.469 3.366 76 HE3 TRP 7 3HE TRP 7 -9.840 -12.561 3.727 77 HZ2 TRP 7 2HZ TRP 7 -14.004 -14.318 1.618 78 HZ3 TRP 7 3HZ TRP 7 -11.037 -11.274 2.005 79 HH2 TRP 7 2HH TRP 7 -13.076 -12.136 0.973 80 H ALA 8 H ALA 8 -6.963 -16.505 6.125 81 HA ALA 8 HA ALA 8 -5.917 -14.810 8.095 82 HB1 ALA 8 3HB ALA 8 -4.363 -16.649 8.590 83 HB2 ALA 8 1HB ALA 8 -6.024 -17.212 8.394 84 HB3 ALA 8 2HB ALA 8 -4.852 -17.448 7.097 85 H SER 9 H SER 9 -4.617 -15.839 4.976 86 HA SER 9 HA SER 9 -2.054 -14.663 5.327 87 HB2 SER 9 1HB SER 9 -1.729 -15.086 2.965 88 HB3 SER 9 2HB SER 9 -2.566 -16.467 3.675 89 HG SER 9 HG SER 9 -3.379 -15.477 1.598 90 H LEU 10 H LEU 10 -5.142 -13.466 4.264 91 HA LEU 10 HA LEU 10 -4.405 -11.212 2.825 92 HB2 LEU 10 1HB LEU 10 -6.729 -12.188 3.286 93 HB3 LEU 10 2HB LEU 10 -6.698 -11.222 4.759 94 HG LEU 10 HG LEU 10 -6.304 -9.976 2.055 95 HD11 LEU 10 1HD1 LEU 10 -8.512 -11.376 2.462 96 HD12 LEU 10 2HD1 LEU 10 -8.537 -9.812 1.649 97 HD13 LEU 10 3HD1 LEU 10 -8.972 -9.926 3.354 98 HD21 LEU 10 3HD2 LEU 10 -6.329 -9.059 4.757 99 HD22 LEU 10 1HD2 LEU 10 -7.698 -8.353 3.898 100 HD23 LEU 10 2HD2 LEU 10 -6.062 -8.139 3.275 101 H TRP 11 H TRP 11 -4.312 -11.807 6.253 102 HA TRP 11 HA TRP 11 -4.018 -9.069 7.030 103 HB2 TRP 11 2HB TRP 11 -3.073 -11.397 8.681 104 HB3 TRP 11 3HB TRP 11 -3.752 -9.864 9.220 105 HD1 TRP 11 1HD TRP 11 -4.768 -13.056 9.732 106 HE1 TRP 11 1HE TRP 11 -7.292 -13.475 9.453 107 HE3 TRP 11 3HE TRP 11 -5.976 -8.925 6.974 108 HZ2 TRP 11 2HZ TRP 11 -9.503 -12.220 8.225 109 HZ3 TRP 11 3HZ TRP 11 -8.317 -8.609 6.286 110 HH2 TRP 11 2HH TRP 11 -10.043 -10.224 6.899 111 H ASN 12 H ASN 12 -1.844 -11.659 6.133 112 HA ASN 12 HA ASN 12 0.511 -10.177 6.944 113 HB2 ASN 12 1HB ASN 12 0.050 -12.868 5.682 114 HB3 ASN 12 2HB ASN 12 1.663 -12.163 5.745 115 HD21 ASN 12 2HD2 ASN 12 -1.073 -13.164 7.713 116 HD22 ASN 12 1HD2 ASN 12 -0.160 -13.492 9.142 117 H TRP 13 H TRP 13 -1.411 -10.636 4.118 118 HA TRP 13 HA TRP 13 0.642 -9.720 2.292 119 HB2 TRP 13 2HB TRP 13 -0.882 -11.340 1.412 120 HB3 TRP 13 3HB TRP 13 -2.278 -10.398 1.930 121 HD1 TRP 13 1HD TRP 13 0.780 -9.612 -0.352 122 HE1 TRP 13 1HE TRP 13 -0.106 -8.458 -2.475 123 HE3 TRP 13 3HE TRP 13 -4.213 -9.619 0.744 124 HZ2 TRP 13 2HZ TRP 13 -2.592 -7.656 -3.544 125 HZ3 TRP 13 3HZ TRP 13 -5.778 -8.639 -0.882 126 HH2 TRP 13 2HH TRP 13 -4.982 -7.678 -2.981 127 H PHE 14 H PHE 14 -2.575 -8.523 3.271 128 HA PHE 14 HA PHE 14 -2.378 -6.021 2.049 129 HB2 PHE 14 2HB PHE 14 -4.495 -6.929 2.888 130 HB3 PHE 14 3HB PHE 14 -3.911 -6.786 4.543 131 HD1 PHE 14 2HD PHE 14 -4.594 -4.747 1.508 132 HD2 PHE 14 1HD PHE 14 -4.351 -4.869 5.756 133 HE1 PHE 14 2HE PHE 14 -5.492 -2.459 1.622 134 HE2 PHE 14 1HE PHE 14 -5.249 -2.581 5.877 135 HZ PHE 14 HZ PHE 14 -5.821 -1.372 3.808 136 H ASP 15 H ASP 15 -1.024 -7.212 5.008 137 HA ASP 15 HA ASP 15 -0.573 -4.834 6.392 138 HB2 ASP 15 1HB ASP 15 -0.172 -6.866 7.543 139 HB3 ASP 15 2HB ASP 15 0.949 -7.434 6.309 140 H ILE 16 H ILE 16 0.997 -6.155 3.596 141 HA ILE 16 HA ILE 16 3.276 -4.376 3.781 142 HB ILE 16 HB ILE 16 2.458 -6.153 1.481 143 HG12 ILE 16 1HG1 ILE 16 4.461 -6.713 3.676 144 HG13 ILE 16 2HG1 ILE 16 2.832 -7.378 3.631 145 HG21 ILE 16 1HG2 ILE 16 3.982 -4.484 0.734 146 HG22 ILE 16 2HG2 ILE 16 5.014 -4.710 2.145 147 HG23 ILE 16 3HG2 ILE 16 4.896 -5.979 0.925 148 HD11 ILE 16 3HD1 ILE 16 3.688 -9.092 2.525 149 HD12 ILE 16 1HD1 ILE 16 3.899 -8.005 1.154 150 HD13 ILE 16 2HD1 ILE 16 5.225 -8.260 2.288 151 H THR 17 H THR 17 0.174 -4.484 2.218 152 HA THR 17 HA THR 17 0.798 -2.321 0.391 153 HB THR 17 HB THR 17 -1.409 -2.559 -0.466 154 HG1 THR 17 1HG THR 17 -2.607 -2.700 1.433 155 HG21 THR 17 3HG2 THR 17 0.357 -4.719 -0.298 156 HG22 THR 17 1HG2 THR 17 -0.943 -4.497 -1.468 157 HG23 THR 17 2HG2 THR 17 -1.240 -5.398 0.018 158 H ASN 18 H ASN 18 -0.305 -2.661 3.594 159 HA ASN 18 HA ASN 18 -2.067 -0.578 3.966 160 HB2 ASN 18 1HB ASN 18 -1.149 -2.284 5.669 161 HB3 ASN 18 2HB ASN 18 0.149 -1.121 5.929 162 HD21 ASN 18 2HD2 ASN 18 -2.562 -2.162 7.242 163 HD22 ASN 18 1HD2 ASN 18 -3.160 -0.714 7.969 164 H TRP 19 H TRP 19 1.481 -0.394 4.290 165 HA TRP 19 HA TRP 19 1.403 2.489 4.374 166 HB2 TRP 19 2HB TRP 19 3.726 2.399 4.799 167 HB3 TRP 19 3HB TRP 19 3.059 0.991 5.621 168 HD1 TRP 19 1HD TRP 19 3.122 -1.320 3.816 169 HE1 TRP 19 1HE TRP 19 5.206 -2.140 2.547 170 HE3 TRP 19 3HE TRP 19 5.872 2.989 3.901 171 HZ2 TRP 19 2HZ TRP 19 7.687 -1.099 1.696 172 HZ3 TRP 19 3HZ TRP 19 8.091 2.993 2.837 173 HH2 TRP 19 2HH TRP 19 8.978 0.990 1.759 174 H LEU 20 H LEU 20 2.058 -0.006 2.019 175 HA LEU 20 HA LEU 20 3.378 1.520 0.078 176 HB2 LEU 20 1HB LEU 20 2.364 -1.087 0.313 177 HB3 LEU 20 2HB LEU 20 1.617 -0.403 -1.129 178 HG LEU 20 HG LEU 20 4.564 -0.732 -0.587 179 HD11 LEU 20 1HD1 LEU 20 4.487 -2.212 -2.516 180 HD12 LEU 20 2HD1 LEU 20 2.753 -1.937 -2.675 181 HD13 LEU 20 3HD1 LEU 20 3.387 -2.769 -1.255 182 HD21 LEU 20 3HD2 LEU 20 4.733 1.142 -1.831 183 HD22 LEU 20 1HD2 LEU 20 3.102 0.985 -2.485 184 HD23 LEU 20 2HD2 LEU 20 4.420 0.030 -3.166 185 H TRP 21 H TRP 21 0.103 1.528 1.101 186 HA TRP 21 HA TRP 21 -1.193 2.401 -1.223 187 HB2 TRP 21 2HB TRP 21 -2.364 1.642 0.821 188 HB3 TRP 21 3HB TRP 21 -1.851 3.113 1.643 189 HD1 TRP 21 1HD TRP 21 -4.528 1.766 -0.608 190 HE1 TRP 21 1HE TRP 21 -6.201 3.635 -1.186 191 HE3 TRP 21 3HE TRP 21 -1.912 5.777 1.179 192 HZ2 TRP 21 2HZ TRP 21 -6.386 6.439 -0.920 193 HZ3 TRP 21 3HZ TRP 21 -2.906 8.019 0.978 194 HH2 TRP 21 2HH TRP 21 -5.097 8.340 -0.051 195 H TYR 22 H TYR 22 0.484 4.204 1.316 196 HA TYR 22 HA TYR 22 -0.182 6.781 0.351 197 HB2 TYR 22 2HB TYR 22 1.128 5.757 2.578 198 HB3 TYR 22 3HB TYR 22 2.381 6.656 1.729 199 HD1 TYR 22 2HD TYR 22 0.719 8.848 0.560 200 HD2 TYR 22 1HD TYR 22 0.708 7.113 4.445 201 HE1 TYR 22 2HE TYR 22 -0.154 10.950 1.490 202 HE2 TYR 22 1HE TYR 22 -0.167 9.211 5.385 203 HH TYR 22 HH TYR 22 -1.063 11.922 3.309 204 H ILE 23 H ILE 23 2.509 4.591 -0.264 205 HA ILE 23 HA ILE 23 4.260 6.249 -1.597 206 HB ILE 23 HB ILE 23 3.618 3.341 -1.912 207 HG12 ILE 23 1HG1 ILE 23 6.002 3.158 -1.151 208 HG13 ILE 23 2HG1 ILE 23 6.035 4.911 -0.996 209 HG21 ILE 23 1HG2 ILE 23 4.168 3.764 -4.128 210 HG22 ILE 23 2HG2 ILE 23 5.338 5.011 -3.703 211 HG23 ILE 23 3HG2 ILE 23 5.717 3.312 -3.416 212 HD11 ILE 23 3HD1 ILE 23 5.543 3.353 1.059 213 HD12 ILE 23 1HD1 ILE 23 4.729 4.906 0.869 214 HD13 ILE 23 2HD1 ILE 23 3.900 3.414 0.421 215 H LYS 24 H LYS 24 1.612 4.348 -3.039 216 HA LYS 24 HA LYS 24 1.903 5.147 -5.670 217 HB2 LYS 24 1HB LYS 24 -0.138 3.885 -4.066 218 HB3 LYS 24 2HB LYS 24 -0.867 4.984 -5.229 219 HG2 LYS 24 1HG LYS 24 -0.742 2.804 -6.201 220 HG3 LYS 24 2HG LYS 24 0.411 3.856 -7.027 221 HD2 LYS 24 1HD LYS 24 1.763 2.055 -6.689 222 HD3 LYS 24 2HD LYS 24 2.034 2.884 -5.154 223 HE2 LYS 24 1HE LYS 24 1.580 0.753 -4.428 224 HE3 LYS 24 2HE LYS 24 -0.028 1.472 -4.376 225 HZ1 LYS 24 3HZ LYS 24 -0.590 0.436 -6.423 226 HZ2 LYS 24 1HZ LYS 24 0.076 -0.761 -5.430 227 HZ3 LYS 24 2HZ LYS 24 0.997 -0.090 -6.680 228 H LEU 25 H LEU 25 0.481 6.857 -2.972 229 HA LEU 25 HA LEU 25 -0.726 8.908 -4.577 230 HB2 LEU 25 1HB LEU 25 -0.389 8.343 -1.695 231 HB3 LEU 25 2HB LEU 25 -0.589 10.035 -2.145 232 HG LEU 25 HG LEU 25 -2.701 8.942 -1.477 233 HD11 LEU 25 1HD1 LEU 25 -2.690 10.859 -3.008 234 HD12 LEU 25 2HD1 LEU 25 -4.027 9.756 -3.336 235 HD13 LEU 25 3HD1 LEU 25 -2.605 9.753 -4.379 236 HD21 LEU 25 3HD2 LEU 25 -1.933 6.720 -2.576 237 HD22 LEU 25 1HD2 LEU 25 -2.640 7.403 -4.040 238 HD23 LEU 25 2HD2 LEU 25 -3.642 7.158 -2.609 239 H PHE 26 H PHE 26 2.355 8.404 -3.025 240 HA PHE 26 HA PHE 26 3.237 11.108 -3.130 241 HB2 PHE 26 2HB PHE 26 4.330 9.660 -1.583 242 HB3 PHE 26 3HB PHE 26 4.701 8.485 -2.841 243 HD1 PHE 26 2HD PHE 26 5.165 12.176 -2.794 244 HD2 PHE 26 1HD PHE 26 7.005 8.339 -2.912 245 HE1 PHE 26 2HE PHE 26 7.356 13.241 -3.136 246 HE2 PHE 26 1HE PHE 26 9.200 9.400 -3.255 247 HZ PHE 26 HZ PHE 26 9.377 11.852 -3.367 248 H ILE 27 H ILE 27 3.361 8.395 -5.341 249 HA ILE 27 HA ILE 27 5.274 9.386 -7.139 250 HB ILE 27 HB ILE 27 2.903 7.626 -7.773 251 HG12 ILE 27 1HG1 ILE 27 5.726 6.830 -7.036 252 HG13 ILE 27 2HG1 ILE 27 4.361 6.785 -5.926 253 HG21 ILE 27 1HG2 ILE 27 3.620 7.956 -9.871 254 HG22 ILE 27 2HG2 ILE 27 5.166 8.615 -9.340 255 HG23 ILE 27 3HG2 ILE 27 4.935 6.869 -9.424 256 HD11 ILE 27 3HD1 ILE 27 4.614 4.592 -6.686 257 HD12 ILE 27 1HD1 ILE 27 3.255 5.235 -7.607 258 HD13 ILE 27 2HD1 ILE 27 4.847 5.105 -8.356 259 H MET 28 H MET 28 1.884 10.098 -6.718 260 HA MET 28 HA MET 28 1.698 11.539 -9.226 261 HB2 MET 28 1HB MET 28 -0.286 11.334 -6.954 262 HB3 MET 28 2HB MET 28 -0.608 12.006 -8.547 263 HG2 MET 28 1HG MET 28 0.117 9.671 -9.401 264 HG3 MET 28 2HG MET 28 -0.195 9.162 -7.743 265 HE1 MET 28 3HE MET 28 -3.711 8.946 -7.227 266 HE2 MET 28 1HE MET 28 -2.122 9.286 -6.542 267 HE3 MET 28 2HE MET 28 -3.232 10.611 -6.896 268 H ILE 29 H ILE 29 1.390 12.365 -5.771 269 HA ILE 29 HA ILE 29 1.165 15.104 -5.999 270 HB ILE 29 HB ILE 29 2.637 13.578 -3.848 271 HG12 ILE 29 1HG1 ILE 29 -0.109 14.669 -3.486 272 HG13 ILE 29 2HG1 ILE 29 0.064 13.227 -4.480 273 HG21 ILE 29 1HG2 ILE 29 3.304 15.727 -3.426 274 HG22 ILE 29 2HG2 ILE 29 1.851 16.434 -4.132 275 HG23 ILE 29 3HG2 ILE 29 1.783 15.690 -2.535 276 HD11 ILE 29 3HD1 ILE 29 1.475 12.386 -2.434 277 HD12 ILE 29 1HD1 ILE 29 0.527 13.596 -1.571 278 HD13 ILE 29 2HD1 ILE 29 -0.287 12.290 -2.434 279 H VAL 30 H VAL 30 4.131 13.160 -5.831 280 HA VAL 30 HA VAL 30 5.998 15.217 -5.779 281 HB VAL 30 HB VAL 30 6.517 12.793 -5.492 282 HG11 VAL 30 1HG1 VAL 30 5.245 12.451 -7.870 283 HG12 VAL 30 2HG1 VAL 30 6.938 12.380 -8.366 284 HG13 VAL 30 3HG1 VAL 30 6.331 11.272 -7.134 285 HG21 VAL 30 3HG2 VAL 30 8.086 14.829 -6.577 286 HG22 VAL 30 1HG2 VAL 30 8.649 13.351 -5.797 287 HG23 VAL 30 2HG2 VAL 30 8.448 13.402 -7.548 288 H GLY 31 H GLY 31 4.045 14.035 -8.401 289 HA2 GLY 31 1HA GLY 31 5.626 15.262 -10.476 290 HA3 GLY 31 2HA GLY 31 4.040 14.528 -10.666 291 H LYS 32 H LYS 32 3.141 16.304 -8.339 292 HA LYS 32 HA LYS 32 1.964 18.329 -9.895 293 HB2 LYS 32 1HB LYS 32 2.319 18.128 -6.900 294 HB3 LYS 32 2HB LYS 32 1.296 19.313 -7.701 295 HG2 LYS 32 1HG LYS 32 -0.069 17.511 -8.629 296 HG3 LYS 32 2HG LYS 32 0.956 16.323 -7.820 297 HD2 LYS 32 1HD LYS 32 0.335 17.271 -5.649 298 HD3 LYS 32 2HD LYS 32 -0.693 18.455 -6.460 299 HE2 LYS 32 1HE LYS 32 -1.422 15.905 -7.435 300 HE3 LYS 32 2HE LYS 32 -1.301 15.774 -5.681 301 HZ1 LYS 32 3HZ LYS 32 -2.769 18.013 -6.915 302 HZ2 LYS 32 1HZ LYS 32 -2.937 17.356 -5.365 303 HZ3 LYS 32 2HZ LYS 32 -3.515 16.510 -6.711 304 H LYS 33 H LYS 33 4.910 18.225 -8.010 305 HA LYS 33 HA LYS 33 5.376 21.078 -8.454 306 HB2 LYS 33 1HB LYS 33 6.003 19.328 -6.355 307 HB3 LYS 33 2HB LYS 33 7.540 19.689 -7.129 308 HG2 LYS 33 1HG LYS 33 7.045 22.100 -6.898 309 HG3 LYS 33 2HG LYS 33 5.572 21.680 -6.022 310 HD2 LYS 33 1HD LYS 33 7.470 20.231 -4.688 311 HD3 LYS 33 2HD LYS 33 8.360 21.690 -5.127 312 HE2 LYS 33 1HE LYS 33 6.932 23.071 -3.922 313 HE3 LYS 33 2HE LYS 33 5.629 21.883 -3.914 314 HZ1 LYS 33 3HZ LYS 33 7.436 20.541 -2.557 315 HZ2 LYS 33 1HZ LYS 33 6.375 21.624 -1.807 316 HZ3 LYS 33 2HZ LYS 33 7.956 22.102 -2.167 317 H LYS 34 H LYS 34 5.445 19.062 -10.617 318 HA LYS 34 HA LYS 34 7.646 20.023 -12.048 319 HB2 LYS 34 1HB LYS 34 8.913 17.809 -12.196 320 HB3 LYS 34 2HB LYS 34 9.133 18.758 -10.733 321 HG2 LYS 34 1HG LYS 34 8.060 17.249 -9.420 322 HG3 LYS 34 2HG LYS 34 6.995 16.706 -10.720 323 HD2 LYS 34 1HD LYS 34 8.473 14.909 -10.255 324 HD3 LYS 34 2HD LYS 34 9.019 15.630 -11.771 325 HE2 LYS 34 1HE LYS 34 10.233 16.786 -9.366 326 HE3 LYS 34 2HE LYS 34 10.615 15.084 -9.627 327 HZ1 LYS 34 3HZ LYS 34 10.987 17.239 -11.637 328 HZ2 LYS 34 1HZ LYS 34 11.414 15.612 -11.824 329 HZ3 LYS 34 2HZ LYS 34 12.218 16.573 -10.688 330 H LYS 35 H LYS 35 6.480 20.151 -13.867 331 HA LYS 35 HA LYS 35 5.856 17.752 -15.302 332 HB2 LYS 35 1HB LYS 35 3.772 19.084 -13.773 333 HB3 LYS 35 2HB LYS 35 3.384 19.020 -15.487 334 HG2 LYS 35 1HG LYS 35 3.940 16.541 -15.357 335 HG3 LYS 35 2HG LYS 35 3.893 16.741 -13.604 336 HD2 LYS 35 1HD LYS 35 1.729 16.062 -14.118 337 HD3 LYS 35 2HD LYS 35 1.582 17.818 -14.016 338 HE2 LYS 35 1HE LYS 35 0.626 17.697 -16.032 339 HE3 LYS 35 2HE LYS 35 2.251 17.407 -16.650 340 HZ1 LYS 35 3HZ LYS 35 1.506 15.466 -17.378 341 HZ2 LYS 35 1HZ LYS 35 0.023 15.652 -16.583 342 HZ3 LYS 35 2HZ LYS 35 1.337 14.961 -15.772 343 H LYS 36 H LYS 36 4.493 21.045 -15.335 344 HA LYS 36 HA LYS 36 4.718 21.366 -18.115 345 HB2 LYS 36 1HB LYS 36 4.257 23.730 -17.704 346 HB3 LYS 36 2HB LYS 36 3.207 22.714 -16.728 347 HG2 LYS 36 1HG LYS 36 4.488 23.155 -14.762 348 HG3 LYS 36 2HG LYS 36 5.732 23.985 -15.699 349 HD2 LYS 36 1HD LYS 36 4.375 25.836 -16.091 350 HD3 LYS 36 2HD LYS 36 2.894 24.945 -15.735 351 HE2 LYS 36 1HE LYS 36 3.051 26.071 -13.779 352 HE3 LYS 36 2HE LYS 36 4.113 24.727 -13.363 353 HZ1 LYS 36 3HZ LYS 36 4.937 27.410 -14.327 354 HZ2 LYS 36 1HZ LYS 36 5.999 26.111 -14.114 355 HZ3 LYS 36 2HZ LYS 36 5.185 26.765 -12.784 Start of MODEL 13 1 H1 LYS 1 H LYS 1 -10.590 -27.933 2.111 2 HA LYS 1 HA LYS 1 -10.940 -26.790 4.364 3 HB2 LYS 1 1HB LYS 1 -9.599 -29.314 5.328 4 HB3 LYS 1 2HB LYS 1 -10.260 -28.005 6.298 5 HG2 LYS 1 1HG LYS 1 -12.473 -28.766 4.971 6 HG3 LYS 1 2HG LYS 1 -11.604 -30.301 5.042 7 HD2 LYS 1 1HD LYS 1 -11.330 -29.219 7.591 8 HD3 LYS 1 2HD LYS 1 -12.998 -28.865 7.134 9 HE2 LYS 1 1HE LYS 1 -12.859 -31.411 6.323 10 HE3 LYS 1 2HE LYS 1 -11.663 -31.463 7.618 11 HZ1 LYS 1 3HZ LYS 1 -13.565 -31.929 8.763 12 HZ2 LYS 1 1HZ LYS 1 -14.551 -30.976 7.773 13 HZ3 LYS 1 2HZ LYS 1 -13.550 -30.246 8.924 14 H LYS 2 H LYS 2 -8.430 -28.799 2.939 15 HA LYS 2 HA LYS 2 -6.209 -28.462 2.567 16 HB2 LYS 2 1HB LYS 2 -6.927 -25.529 2.667 17 HB3 LYS 2 2HB LYS 2 -5.558 -26.257 1.840 18 HG2 LYS 2 1HG LYS 2 -7.146 -27.444 0.355 19 HG3 LYS 2 2HG LYS 2 -8.467 -26.572 1.137 20 HD2 LYS 2 1HD LYS 2 -7.303 -24.439 0.482 21 HD3 LYS 2 2HD LYS 2 -6.205 -25.424 -0.489 22 HE2 LYS 2 1HE LYS 2 -8.400 -26.378 -1.509 23 HE3 LYS 2 2HE LYS 2 -9.128 -24.909 -0.862 24 HZ1 LYS 2 3HZ LYS 2 -7.906 -25.124 -3.266 25 HZ2 LYS 2 1HZ LYS 2 -6.693 -24.434 -2.309 26 HZ3 LYS 2 2HZ LYS 2 -8.197 -23.673 -2.447 27 H LYS 3 H LYS 3 -4.354 -26.654 3.352 28 HA LYS 3 HA LYS 3 -4.308 -27.061 6.253 29 HB2 LYS 3 1HB LYS 3 -2.042 -26.270 4.414 30 HB3 LYS 3 2HB LYS 3 -1.905 -26.748 6.101 31 HG2 LYS 3 1HG LYS 3 -2.429 -28.987 5.621 32 HG3 LYS 3 2HG LYS 3 -3.028 -28.585 4.010 33 HD2 LYS 3 1HD LYS 3 -0.986 -29.293 3.361 34 HD3 LYS 3 2HD LYS 3 -0.492 -27.666 3.834 35 HE2 LYS 3 1HE LYS 3 1.040 -28.866 5.014 36 HE3 LYS 3 2HE LYS 3 -0.261 -28.832 6.204 37 HZ1 LYS 3 3HZ LYS 3 0.917 -31.062 4.930 38 HZ2 LYS 3 1HZ LYS 3 -0.738 -31.020 4.575 39 HZ3 LYS 3 2HZ LYS 3 -0.218 -31.032 6.185 40 H LYS 4 H LYS 4 -3.118 -24.552 4.010 41 HA LYS 4 HA LYS 4 -3.370 -22.537 6.070 42 HB2 LYS 4 1HB LYS 4 -2.544 -22.306 3.170 43 HB3 LYS 4 2HB LYS 4 -2.452 -21.011 4.356 44 HG2 LYS 4 1HG LYS 4 -1.091 -23.520 5.084 45 HG3 LYS 4 2HG LYS 4 -0.397 -22.621 3.733 46 HD2 LYS 4 1HD LYS 4 -1.133 -21.020 6.099 47 HD3 LYS 4 2HD LYS 4 0.203 -22.152 6.323 48 HE2 LYS 4 1HE LYS 4 1.207 -20.146 5.623 49 HE3 LYS 4 2HE LYS 4 1.183 -21.174 4.190 50 HZ1 LYS 4 3HZ LYS 4 0.485 -18.859 3.764 51 HZ2 LYS 4 1HZ LYS 4 -0.847 -19.090 4.781 52 HZ3 LYS 4 2HZ LYS 4 -0.704 -19.992 3.358 53 H ASP 5 H ASP 5 -4.350 -20.361 5.320 54 HA ASP 5 HA ASP 5 -6.827 -20.801 3.807 55 HB2 ASP 5 1HB ASP 5 -6.562 -20.059 6.647 56 HB3 ASP 5 2HB ASP 5 -7.670 -19.051 5.720 57 H LYS 6 H LYS 6 -7.516 -19.087 2.592 58 HA LYS 6 HA LYS 6 -5.642 -17.172 1.784 59 HB2 LYS 6 1HB LYS 6 -7.492 -16.144 0.538 60 HB3 LYS 6 2HB LYS 6 -7.480 -17.893 0.348 61 HG2 LYS 6 1HG LYS 6 -9.641 -17.818 0.856 62 HG3 LYS 6 2HG LYS 6 -9.130 -17.511 2.517 63 HD2 LYS 6 1HD LYS 6 -10.489 -15.708 2.238 64 HD3 LYS 6 2HD LYS 6 -9.000 -15.017 1.589 65 HE2 LYS 6 1HE LYS 6 -9.926 -16.095 -0.650 66 HE3 LYS 6 2HE LYS 6 -11.466 -15.899 0.185 67 HZ1 LYS 6 3HZ LYS 6 -11.444 -13.778 -0.396 68 HZ2 LYS 6 1HZ LYS 6 -9.934 -13.952 -1.138 69 HZ3 LYS 6 2HZ LYS 6 -10.029 -13.532 0.498 70 H TRP 7 H TRP 7 -8.198 -17.046 4.182 71 HA TRP 7 HA TRP 7 -8.239 -14.262 4.585 72 HB2 TRP 7 2HB TRP 7 -8.912 -16.553 6.436 73 HB3 TRP 7 3HB TRP 7 -9.191 -14.863 6.842 74 HD1 TRP 7 1HD TRP 7 -11.115 -17.638 5.754 75 HE1 TRP 7 1HE TRP 7 -13.170 -16.947 4.367 76 HE3 TRP 7 3HE TRP 7 -9.751 -12.844 4.616 77 HZ2 TRP 7 2HZ TRP 7 -14.091 -14.671 2.974 78 HZ3 TRP 7 3HZ TRP 7 -11.275 -11.477 3.251 79 HH2 TRP 7 2HH TRP 7 -13.398 -12.373 2.448 80 H ALA 8 H ALA 8 -6.419 -16.832 6.231 81 HA ALA 8 HA ALA 8 -5.123 -15.259 8.129 82 HB1 ALA 8 3HB ALA 8 -5.049 -17.640 8.306 83 HB2 ALA 8 1HB ALA 8 -4.221 -17.784 6.754 84 HB3 ALA 8 2HB ALA 8 -3.392 -17.060 8.134 85 H SER 9 H SER 9 -4.243 -15.978 4.781 86 HA SER 9 HA SER 9 -1.717 -14.676 4.875 87 HB2 SER 9 1HB SER 9 -3.182 -16.205 2.992 88 HB3 SER 9 2HB SER 9 -2.796 -14.669 2.216 89 HG SER 9 HG SER 9 -0.626 -15.032 2.648 90 H LEU 10 H LEU 10 -4.974 -13.601 4.377 91 HA LEU 10 HA LEU 10 -4.557 -11.216 2.999 92 HB2 LEU 10 1HB LEU 10 -6.745 -12.370 3.671 93 HB3 LEU 10 2HB LEU 10 -6.578 -11.504 5.198 94 HG LEU 10 HG LEU 10 -6.605 -10.056 2.567 95 HD11 LEU 10 1HD1 LEU 10 -9.081 -10.265 4.189 96 HD12 LEU 10 2HD1 LEU 10 -8.660 -11.618 3.140 97 HD13 LEU 10 3HD1 LEU 10 -8.877 -10.007 2.456 98 HD21 LEU 10 3HD2 LEU 10 -6.307 -8.295 3.882 99 HD22 LEU 10 1HD2 LEU 10 -6.330 -9.328 5.312 100 HD23 LEU 10 2HD2 LEU 10 -7.835 -8.653 4.687 101 H TRP 11 H TRP 11 -3.993 -12.036 6.335 102 HA TRP 11 HA TRP 11 -3.751 -9.345 7.273 103 HB2 TRP 11 2HB TRP 11 -2.475 -11.714 8.613 104 HB3 TRP 11 3HB TRP 11 -3.162 -10.267 9.346 105 HD1 TRP 11 1HD TRP 11 -3.926 -13.545 9.738 106 HE1 TRP 11 1HE TRP 11 -6.440 -14.105 9.744 107 HE3 TRP 11 3HE TRP 11 -5.703 -9.322 7.471 108 HZ2 TRP 11 2HZ TRP 11 -8.854 -12.914 8.899 109 HZ3 TRP 11 3HZ TRP 11 -8.127 -9.110 7.107 110 HH2 TRP 11 2HH TRP 11 -9.668 -10.870 7.805 111 H ASN 12 H ASN 12 -1.570 -11.725 5.923 112 HA ASN 12 HA ASN 12 0.784 -10.151 6.542 113 HB2 ASN 12 1HB ASN 12 0.333 -12.765 5.112 114 HB3 ASN 12 2HB ASN 12 1.904 -11.969 5.105 115 HD21 ASN 12 2HD2 ASN 12 -0.644 -12.929 7.378 116 HD22 ASN 12 1HD2 ASN 12 0.431 -13.468 8.619 117 H TRP 13 H TRP 13 -1.456 -10.546 3.950 118 HA TRP 13 HA TRP 13 0.294 -9.382 1.956 119 HB2 TRP 13 2HB TRP 13 -1.237 -11.036 1.154 120 HB3 TRP 13 3HB TRP 13 -2.606 -10.224 1.908 121 HD1 TRP 13 1HD TRP 13 0.086 -9.083 -0.665 122 HE1 TRP 13 1HE TRP 13 -1.130 -7.854 -2.573 123 HE3 TRP 13 3HE TRP 13 -4.720 -9.508 1.027 124 HZ2 TRP 13 2HZ TRP 13 -3.775 -7.156 -3.267 125 HZ3 TRP 13 3HZ TRP 13 -6.534 -8.531 -0.318 126 HH2 TRP 13 2HH TRP 13 -6.070 -7.381 -2.420 127 H PHE 14 H PHE 14 -2.834 -8.464 3.411 128 HA PHE 14 HA PHE 14 -2.945 -5.883 2.360 129 HB2 PHE 14 2HB PHE 14 -4.880 -6.954 3.393 130 HB3 PHE 14 3HB PHE 14 -4.084 -6.926 4.963 131 HD1 PHE 14 1HD PHE 14 -5.667 -4.868 2.361 132 HD2 PHE 14 2HD PHE 14 -4.035 -4.951 6.291 133 HE1 PHE 14 1HE PHE 14 -6.641 -2.654 2.808 134 HE2 PHE 14 2HE PHE 14 -5.008 -2.738 6.746 135 HZ PHE 14 HZ PHE 14 -6.314 -1.587 5.004 136 H ASP 15 H ASP 15 -1.168 -7.160 5.058 137 HA ASP 15 HA ASP 15 -0.654 -4.796 6.471 138 HB2 ASP 15 1HB ASP 15 -0.121 -6.888 7.496 139 HB3 ASP 15 2HB ASP 15 0.952 -7.335 6.172 140 H ILE 16 H ILE 16 0.835 -6.164 3.607 141 HA ILE 16 HA ILE 16 3.017 -4.286 3.580 142 HB ILE 16 HB ILE 16 2.040 -6.132 1.396 143 HG12 ILE 16 1HG1 ILE 16 4.411 -6.512 3.227 144 HG13 ILE 16 2HG1 ILE 16 2.822 -7.185 3.577 145 HG21 ILE 16 1HG2 ILE 16 3.324 -4.553 0.288 146 HG22 ILE 16 2HG2 ILE 16 4.423 -4.342 1.651 147 HG23 ILE 16 3HG2 ILE 16 4.504 -5.806 0.671 148 HD11 ILE 16 3HD1 ILE 16 3.001 -8.783 1.991 149 HD12 ILE 16 1HD1 ILE 16 3.961 -7.767 0.915 150 HD13 ILE 16 2HD1 ILE 16 4.719 -8.542 2.307 151 H THR 17 H THR 17 -0.214 -4.415 2.350 152 HA THR 17 HA THR 17 0.196 -2.282 0.433 153 HB THR 17 HB THR 17 -2.193 -2.460 -0.024 154 HG1 THR 17 1HG THR 17 -3.326 -3.023 1.688 155 HG21 THR 17 3HG2 THR 17 -0.568 -4.972 0.094 156 HG22 THR 17 1HG2 THR 17 -1.043 -4.013 -1.307 157 HG23 THR 17 2HG2 THR 17 -2.233 -5.022 -0.485 158 H ASN 18 H ASN 18 -0.548 -2.576 3.748 159 HA ASN 18 HA ASN 18 -2.233 -0.457 4.273 160 HB2 ASN 18 1HB ASN 18 -1.096 -2.191 5.868 161 HB3 ASN 18 2HB ASN 18 0.138 -0.947 6.044 162 HD21 ASN 18 2HD2 ASN 18 -3.355 -1.452 6.237 163 HD22 ASN 18 1HD2 ASN 18 -3.623 -0.325 7.519 164 H TRP 19 H TRP 19 1.333 -0.345 4.241 165 HA TRP 19 HA TRP 19 1.312 2.543 4.291 166 HB2 TRP 19 2HB TRP 19 3.650 2.422 4.544 167 HB3 TRP 19 3HB TRP 19 3.042 1.017 5.416 168 HD1 TRP 19 1HD TRP 19 2.877 -1.249 3.493 169 HE1 TRP 19 1HE TRP 19 4.870 -2.099 2.105 170 HE3 TRP 19 3HE TRP 19 5.811 2.936 3.637 171 HZ2 TRP 19 2HZ TRP 19 7.358 -1.126 1.192 172 HZ3 TRP 19 3HZ TRP 19 7.983 2.894 2.480 173 HH2 TRP 19 2HH TRP 19 8.739 0.904 1.284 174 H LEU 20 H LEU 20 1.666 -0.000 1.936 175 HA LEU 20 HA LEU 20 2.902 1.373 -0.144 176 HB2 LEU 20 1HB LEU 20 2.275 -1.095 0.027 177 HB3 LEU 20 2HB LEU 20 0.683 -0.610 -0.553 178 HG LEU 20 HG LEU 20 1.688 0.208 -2.629 179 HD11 LEU 20 1HD1 LEU 20 4.203 -0.468 -1.194 180 HD12 LEU 20 2HD1 LEU 20 3.829 0.904 -2.236 181 HD13 LEU 20 3HD1 LEU 20 4.143 -0.681 -2.944 182 HD21 LEU 20 3HD2 LEU 20 2.891 -2.343 -2.862 183 HD22 LEU 20 1HD2 LEU 20 1.286 -1.836 -3.388 184 HD23 LEU 20 2HD2 LEU 20 1.516 -2.499 -1.770 185 H TRP 21 H TRP 21 -0.294 1.663 1.129 186 HA TRP 21 HA TRP 21 -1.642 2.727 -1.083 187 HB2 TRP 21 2HB TRP 21 -2.751 2.010 1.011 188 HB3 TRP 21 3HB TRP 21 -2.057 3.402 1.838 189 HD1 TRP 21 1HD TRP 21 -4.980 2.372 -0.269 190 HE1 TRP 21 1HE TRP 21 -6.506 4.401 -0.691 191 HE3 TRP 21 3HE TRP 21 -1.899 6.075 1.443 192 HZ2 TRP 21 2HZ TRP 21 -6.415 7.201 -0.345 193 HZ3 TRP 21 3HZ TRP 21 -2.695 8.402 1.362 194 HH2 TRP 21 2HH TRP 21 -4.906 8.951 0.485 195 H TYR 22 H TYR 22 0.392 4.267 1.357 196 HA TYR 22 HA TYR 22 -0.108 6.933 0.524 197 HB2 TYR 22 2HB TYR 22 0.865 6.159 2.752 198 HB3 TYR 22 3HB TYR 22 2.396 5.972 1.904 199 HD1 TYR 22 1HD TYR 22 -0.182 8.638 1.552 200 HD2 TYR 22 2HD TYR 22 3.767 7.641 2.780 201 HE1 TYR 22 1HE TYR 22 0.302 11.023 1.911 202 HE2 TYR 22 2HE TYR 22 4.262 10.022 3.144 203 HH TYR 22 HH TYR 22 2.180 12.518 2.053 204 H ILE 23 H ILE 23 2.313 4.523 -0.340 205 HA ILE 23 HA ILE 23 4.124 6.053 -1.744 206 HB ILE 23 HB ILE 23 3.179 3.234 -2.100 207 HG12 ILE 23 1HG1 ILE 23 5.577 2.793 -1.517 208 HG13 ILE 23 2HG1 ILE 23 5.799 4.528 -1.318 209 HG21 ILE 23 1HG2 ILE 23 3.604 3.772 -4.346 210 HG22 ILE 23 2HG2 ILE 23 5.004 4.761 -3.931 211 HG23 ILE 23 3HG2 ILE 23 5.086 3.006 -3.772 212 HD11 ILE 23 3HD1 ILE 23 4.623 4.592 0.632 213 HD12 ILE 23 1HD1 ILE 23 3.630 3.198 0.211 214 HD13 ILE 23 2HD1 ILE 23 5.301 2.967 0.728 215 H LYS 24 H LYS 24 1.202 4.483 -3.044 216 HA LYS 24 HA LYS 24 1.394 5.345 -5.667 217 HB2 LYS 24 1HB LYS 24 -0.574 4.116 -4.025 218 HB3 LYS 24 2HB LYS 24 -1.353 5.439 -4.883 219 HG2 LYS 24 1HG LYS 24 -1.601 3.468 -6.190 220 HG3 LYS 24 2HG LYS 24 -0.433 4.511 -7.005 221 HD2 LYS 24 1HD LYS 24 0.505 2.361 -7.109 222 HD3 LYS 24 2HD LYS 24 1.363 3.165 -5.793 223 HE2 LYS 24 1HE LYS 24 0.876 1.228 -4.720 224 HE3 LYS 24 2HE LYS 24 -0.633 2.077 -4.390 225 HZ1 LYS 24 3HZ LYS 24 -1.588 0.989 -6.358 226 HZ2 LYS 24 1HZ LYS 24 -1.098 -0.126 -5.183 227 HZ3 LYS 24 2HZ LYS 24 -0.155 0.114 -6.567 228 H LEU 25 H LEU 25 0.332 7.082 -2.823 229 HA LEU 25 HA LEU 25 -0.769 9.300 -4.272 230 HB2 LEU 25 1HB LEU 25 -0.295 8.592 -1.444 231 HB3 LEU 25 2HB LEU 25 -0.338 10.313 -1.820 232 HG LEU 25 HG LEU 25 -2.507 9.418 -1.037 233 HD11 LEU 25 1HD1 LEU 25 -2.556 10.337 -3.907 234 HD12 LEU 25 2HD1 LEU 25 -2.358 11.395 -2.510 235 HD13 LEU 25 3HD1 LEU 25 -3.855 10.488 -2.723 236 HD21 LEU 25 3HD2 LEU 25 -2.894 8.048 -3.648 237 HD22 LEU 25 1HD2 LEU 25 -3.664 7.753 -2.089 238 HD23 LEU 25 2HD2 LEU 25 -2.014 7.199 -2.376 239 H PHE 26 H PHE 26 2.351 8.428 -3.001 240 HA PHE 26 HA PHE 26 3.488 11.042 -3.088 241 HB2 PHE 26 2HB PHE 26 4.533 9.445 -1.657 242 HB3 PHE 26 3HB PHE 26 4.702 8.282 -2.967 243 HD1 PHE 26 2HD PHE 26 5.528 11.907 -2.853 244 HD2 PHE 26 1HD PHE 26 6.971 7.918 -3.207 245 HE1 PHE 26 2HE PHE 26 7.784 12.768 -3.319 246 HE2 PHE 26 1HE PHE 26 9.230 8.773 -3.674 247 HZ PHE 26 HZ PHE 26 9.639 11.201 -3.731 248 H ILE 27 H ILE 27 3.169 8.406 -5.367 249 HA ILE 27 HA ILE 27 5.048 9.261 -7.276 250 HB ILE 27 HB ILE 27 2.485 7.744 -7.770 251 HG12 ILE 27 1HG1 ILE 27 5.269 6.679 -7.258 252 HG13 ILE 27 2HG1 ILE 27 3.983 6.716 -6.058 253 HG21 ILE 27 1HG2 ILE 27 3.619 6.907 -9.766 254 HG22 ILE 27 2HG2 ILE 27 3.466 8.663 -9.805 255 HG23 ILE 27 3HG2 ILE 27 5.015 7.921 -9.402 256 HD11 ILE 27 3HD1 ILE 27 4.418 4.893 -8.309 257 HD12 ILE 27 1HD1 ILE 27 3.613 4.626 -6.763 258 HD13 ILE 27 2HD1 ILE 27 2.750 5.419 -8.081 259 H MET 28 H MET 28 1.790 10.285 -6.580 260 HA MET 28 HA MET 28 1.552 11.796 -9.043 261 HB2 MET 28 1HB MET 28 -0.259 11.732 -6.622 262 HB3 MET 28 2HB MET 28 -0.636 12.471 -8.173 263 HG2 MET 28 1HG MET 28 -0.203 10.089 -9.113 264 HG3 MET 28 2HG MET 28 -0.460 9.585 -7.444 265 HE1 MET 28 3HE MET 28 -3.949 9.820 -6.675 266 HE2 MET 28 1HE MET 28 -2.288 9.973 -6.100 267 HE3 MET 28 2HE MET 28 -3.247 11.418 -6.421 268 H ILE 29 H ILE 29 1.604 12.564 -5.560 269 HA ILE 29 HA ILE 29 1.631 15.317 -5.722 270 HB ILE 29 HB ILE 29 3.119 13.602 -3.730 271 HG12 ILE 29 1HG1 ILE 29 0.532 14.944 -3.120 272 HG13 ILE 29 2HG1 ILE 29 0.481 13.516 -4.148 273 HG21 ILE 29 1HG2 ILE 29 2.962 15.570 -2.254 274 HG22 ILE 29 2HG2 ILE 29 3.947 15.873 -3.685 275 HG23 ILE 29 3HG2 ILE 29 2.301 16.501 -3.598 276 HD11 ILE 29 3HD1 ILE 29 1.197 13.771 -1.281 277 HD12 ILE 29 1HD1 ILE 29 0.215 12.558 -2.103 278 HD13 ILE 29 2HD1 ILE 29 1.973 12.505 -2.232 279 H VAL 30 H VAL 30 4.376 13.082 -5.901 280 HA VAL 30 HA VAL 30 6.410 15.021 -6.004 281 HB VAL 30 HB VAL 30 6.782 12.589 -5.596 282 HG11 VAL 30 1HG1 VAL 30 6.837 11.024 -7.386 283 HG12 VAL 30 2HG1 VAL 30 5.279 11.847 -7.467 284 HG13 VAL 30 3HG1 VAL 30 6.571 12.290 -8.585 285 HG21 VAL 30 3HG2 VAL 30 8.385 13.795 -7.850 286 HG22 VAL 30 1HG2 VAL 30 8.640 14.075 -6.128 287 HG23 VAL 30 2HG2 VAL 30 8.905 12.470 -6.808 288 H GLY 31 H GLY 31 4.251 13.761 -8.440 289 HA2 GLY 31 1HA GLY 31 5.725 14.662 -10.706 290 HA3 GLY 31 2HA GLY 31 4.028 14.208 -10.687 291 H LYS 32 H LYS 32 3.609 16.236 -8.471 292 HA LYS 32 HA LYS 32 2.582 18.312 -9.991 293 HB2 LYS 32 1HB LYS 32 3.551 18.502 -7.134 294 HB3 LYS 32 2HB LYS 32 2.376 19.556 -7.911 295 HG2 LYS 32 1HG LYS 32 1.562 16.807 -8.131 296 HG3 LYS 32 2HG LYS 32 1.873 17.236 -6.447 297 HD2 LYS 32 1HD LYS 32 0.366 19.239 -7.984 298 HD3 LYS 32 2HD LYS 32 -0.465 17.700 -7.748 299 HE2 LYS 32 1HE LYS 32 0.815 19.253 -5.508 300 HE3 LYS 32 2HE LYS 32 -0.871 19.450 -5.979 301 HZ1 LYS 32 3HZ LYS 32 -0.807 16.835 -5.703 302 HZ2 LYS 32 1HZ LYS 32 -1.121 17.868 -4.400 303 HZ3 LYS 32 2HZ LYS 32 0.428 17.223 -4.614 304 H LYS 33 H LYS 33 5.567 18.389 -8.035 305 HA LYS 33 HA LYS 33 6.550 20.531 -9.805 306 HB2 LYS 33 1HB LYS 33 6.885 20.075 -6.858 307 HB3 LYS 33 2HB LYS 33 8.078 21.009 -7.751 308 HG2 LYS 33 1HG LYS 33 5.890 22.263 -8.590 309 HG3 LYS 33 2HG LYS 33 5.284 21.677 -7.039 310 HD2 LYS 33 1HD LYS 33 6.178 23.691 -6.401 311 HD3 LYS 33 2HD LYS 33 7.572 22.635 -6.158 312 HE2 LYS 33 1HE LYS 33 8.537 24.344 -7.342 313 HE3 LYS 33 2HE LYS 33 8.080 23.260 -8.654 314 HZ1 LYS 33 3HZ LYS 33 7.214 25.912 -8.145 315 HZ2 LYS 33 1HZ LYS 33 5.887 24.865 -8.210 316 HZ3 LYS 33 2HZ LYS 33 6.961 24.952 -9.514 317 H LYS 34 H LYS 34 7.291 18.754 -11.194 318 HA LYS 34 HA LYS 34 9.757 17.497 -10.185 319 HB2 LYS 34 1HB LYS 34 7.898 15.965 -10.912 320 HB3 LYS 34 2HB LYS 34 8.092 16.600 -12.541 321 HG2 LYS 34 1HG LYS 34 9.275 14.559 -12.457 322 HG3 LYS 34 2HG LYS 34 10.485 15.844 -12.442 323 HD2 LYS 34 1HD LYS 34 9.877 15.383 -9.758 324 HD3 LYS 34 2HD LYS 34 9.968 13.780 -10.490 325 HE2 LYS 34 1HE LYS 34 12.078 15.923 -10.724 326 HE3 LYS 34 2HE LYS 34 12.140 14.557 -9.610 327 HZ1 LYS 34 3HZ LYS 34 12.201 13.050 -11.457 328 HZ2 LYS 34 1HZ LYS 34 13.426 14.200 -11.660 329 HZ3 LYS 34 2HZ LYS 34 12.002 14.311 -12.566 330 H LYS 35 H LYS 35 8.288 19.080 -12.993 331 HA LYS 35 HA LYS 35 10.629 19.174 -14.568 332 HB2 LYS 35 1HB LYS 35 7.962 20.465 -14.613 333 HB3 LYS 35 2HB LYS 35 9.243 21.297 -15.485 334 HG2 LYS 35 1HG LYS 35 9.264 19.787 -17.132 335 HG3 LYS 35 2HG LYS 35 9.117 18.426 -16.018 336 HD2 LYS 35 1HD LYS 35 6.694 19.015 -15.762 337 HD3 LYS 35 2HD LYS 35 6.907 20.194 -17.058 338 HE2 LYS 35 1HE LYS 35 7.987 17.656 -17.849 339 HE3 LYS 35 2HE LYS 35 6.327 17.452 -17.292 340 HZ1 LYS 35 3HZ LYS 35 5.935 19.523 -18.804 341 HZ2 LYS 35 1HZ LYS 35 5.998 17.971 -19.477 342 HZ3 LYS 35 2HZ LYS 35 7.345 18.990 -19.572 343 H LYS 36 H LYS 36 12.377 19.915 -13.403 344 HA LYS 36 HA LYS 36 12.411 22.802 -12.931 345 HB2 LYS 36 1HB LYS 36 13.586 22.499 -10.784 346 HB3 LYS 36 2HB LYS 36 11.953 21.846 -10.745 347 HG2 LYS 36 1HG LYS 36 13.062 19.597 -11.306 348 HG3 LYS 36 2HG LYS 36 14.562 20.382 -10.808 349 HD2 LYS 36 1HD LYS 36 13.162 21.047 -8.698 350 HD3 LYS 36 2HD LYS 36 12.152 19.685 -9.188 351 HE2 LYS 36 1HE LYS 36 14.333 18.349 -9.293 352 HE3 LYS 36 2HE LYS 36 15.048 19.686 -8.394 353 HZ1 LYS 36 3HZ LYS 36 12.802 19.142 -6.991 354 HZ2 LYS 36 1HZ LYS 36 14.350 18.580 -6.604 355 HZ3 LYS 36 2HZ LYS 36 13.290 17.600 -7.486 Start of MODEL 14 1 H1 LYS 1 H LYS 1 2.221 -31.199 5.791 2 HA LYS 1 HA LYS 1 3.084 -29.268 3.952 3 HB2 LYS 1 1HB LYS 1 2.679 -30.859 2.208 4 HB3 LYS 1 2HB LYS 1 1.111 -31.286 2.881 5 HG2 LYS 1 1HG LYS 1 0.082 -29.461 2.009 6 HG3 LYS 1 2HG LYS 1 1.532 -28.458 2.108 7 HD2 LYS 1 1HD LYS 1 2.258 -30.372 0.285 8 HD3 LYS 1 2HD LYS 1 0.547 -30.133 -0.077 9 HE2 LYS 1 1HE LYS 1 1.549 -28.538 -1.413 10 HE3 LYS 1 2HE LYS 1 1.151 -27.607 0.030 11 HZ1 LYS 1 3HZ LYS 1 3.764 -28.471 -0.962 12 HZ2 LYS 1 1HZ LYS 1 3.553 -28.368 0.713 13 HZ3 LYS 1 2HZ LYS 1 3.309 -27.003 -0.254 14 H LYS 2 H LYS 2 1.994 -27.429 4.320 15 HA LYS 2 HA LYS 2 -0.185 -27.475 6.209 16 HB2 LYS 2 1HB LYS 2 1.597 -25.420 5.030 17 HB3 LYS 2 2HB LYS 2 0.004 -24.873 5.535 18 HG2 LYS 2 1HG LYS 2 0.492 -25.056 7.717 19 HG3 LYS 2 2HG LYS 2 1.413 -26.545 7.493 20 HD2 LYS 2 1HD LYS 2 3.308 -25.262 6.655 21 HD3 LYS 2 2HD LYS 2 2.386 -23.766 6.822 22 HE2 LYS 2 1HE LYS 2 3.685 -23.802 8.747 23 HE3 LYS 2 2HE LYS 2 2.144 -24.459 9.296 24 HZ1 LYS 2 3HZ LYS 2 3.321 -26.702 8.635 25 HZ2 LYS 2 1HZ LYS 2 3.551 -25.997 10.157 26 HZ3 LYS 2 2HZ LYS 2 4.718 -25.800 8.949 27 H LYS 3 H LYS 3 -2.175 -26.215 5.844 28 HA LYS 3 HA LYS 3 -3.347 -26.935 3.303 29 HB2 LYS 3 1HB LYS 3 -5.442 -26.368 4.278 30 HB3 LYS 3 2HB LYS 3 -4.512 -27.186 5.527 31 HG2 LYS 3 1HG LYS 3 -3.925 -24.471 5.820 32 HG3 LYS 3 2HG LYS 3 -5.664 -24.556 5.531 33 HD2 LYS 3 1HD LYS 3 -6.054 -25.794 7.436 34 HD3 LYS 3 2HD LYS 3 -4.414 -26.444 7.476 35 HE2 LYS 3 1HE LYS 3 -3.650 -24.737 8.709 36 HE3 LYS 3 2HE LYS 3 -4.529 -23.541 7.760 37 HZ1 LYS 3 3HZ LYS 3 -5.348 -24.958 10.179 38 HZ2 LYS 3 1HZ LYS 3 -6.550 -24.601 9.044 39 HZ3 LYS 3 2HZ LYS 3 -5.628 -23.355 9.719 40 H LYS 4 H LYS 4 -4.968 -25.207 2.399 41 HA LYS 4 HA LYS 4 -3.372 -22.804 1.875 42 HB2 LYS 4 1HB LYS 4 -5.659 -24.063 0.353 43 HB3 LYS 4 2HB LYS 4 -4.917 -22.530 -0.086 44 HG2 LYS 4 1HG LYS 4 -2.776 -24.271 0.146 45 HG3 LYS 4 2HG LYS 4 -4.042 -25.232 -0.621 46 HD2 LYS 4 1HD LYS 4 -3.248 -24.284 -2.509 47 HD3 LYS 4 2HD LYS 4 -4.270 -22.933 -2.015 48 HE2 LYS 4 1HE LYS 4 -1.615 -22.920 -0.791 49 HE3 LYS 4 2HE LYS 4 -1.587 -22.790 -2.549 50 HZ1 LYS 4 3HZ LYS 4 -2.507 -20.890 -0.570 51 HZ2 LYS 4 1HZ LYS 4 -3.522 -21.055 -1.914 52 HZ3 LYS 4 2HZ LYS 4 -1.900 -20.626 -2.127 53 H ASP 5 H ASP 5 -3.921 -20.970 2.834 54 HA ASP 5 HA ASP 5 -6.756 -20.459 3.413 55 HB2 ASP 5 1HB ASP 5 -5.901 -19.300 5.551 56 HB3 ASP 5 2HB ASP 5 -5.991 -21.059 5.549 57 H LYS 6 H LYS 6 -7.283 -18.769 2.202 58 HA LYS 6 HA LYS 6 -5.323 -16.791 1.434 59 HB2 LYS 6 1HB LYS 6 -7.148 -15.815 0.111 60 HB3 LYS 6 2HB LYS 6 -6.979 -17.539 -0.196 61 HG2 LYS 6 1HG LYS 6 -9.177 -17.645 0.118 62 HG3 LYS 6 2HG LYS 6 -8.818 -17.470 1.837 63 HD2 LYS 6 1HD LYS 6 -10.279 -15.742 1.624 64 HD3 LYS 6 2HD LYS 6 -8.805 -14.892 1.152 65 HE2 LYS 6 1HE LYS 6 -9.439 -15.719 -1.240 66 HE3 LYS 6 2HE LYS 6 -11.050 -15.891 -0.547 67 HZ1 LYS 6 3HZ LYS 6 -11.315 -13.670 -0.379 68 HZ2 LYS 6 1HZ LYS 6 -10.189 -13.647 -1.641 69 HZ3 LYS 6 2HZ LYS 6 -9.683 -13.369 -0.052 70 H TRP 7 H TRP 7 -8.062 -17.036 3.611 71 HA TRP 7 HA TRP 7 -8.340 -14.294 4.200 72 HB2 TRP 7 2HB TRP 7 -9.036 -16.774 5.775 73 HB3 TRP 7 3HB TRP 7 -9.430 -15.148 6.326 74 HD1 TRP 7 1HD TRP 7 -11.166 -17.850 4.870 75 HE1 TRP 7 1HE TRP 7 -13.115 -17.109 3.363 76 HE3 TRP 7 3HE TRP 7 -9.846 -12.959 4.180 77 HZ2 TRP 7 2HZ TRP 7 -13.980 -14.762 2.054 78 HZ3 TRP 7 3HZ TRP 7 -11.288 -11.534 2.787 79 HH2 TRP 7 2HH TRP 7 -13.311 -12.419 1.746 80 H ALA 8 H ALA 8 -6.704 -16.867 6.055 81 HA ALA 8 HA ALA 8 -5.620 -15.275 8.051 82 HB1 ALA 8 3HB ALA 8 -3.906 -17.482 7.122 83 HB2 ALA 8 1HB ALA 8 -4.553 -17.141 8.727 84 HB3 ALA 8 2HB ALA 8 -5.571 -17.917 7.513 85 H SER 9 H SER 9 -4.397 -15.971 4.817 86 HA SER 9 HA SER 9 -1.881 -14.686 5.201 87 HB2 SER 9 1HB SER 9 -3.331 -15.954 2.975 88 HB3 SER 9 2HB SER 9 -2.258 -14.640 2.492 89 HG SER 9 HG SER 9 -1.509 -17.035 2.881 90 H LEU 10 H LEU 10 -5.060 -13.615 4.332 91 HA LEU 10 HA LEU 10 -4.531 -11.257 2.975 92 HB2 LEU 10 1HB LEU 10 -6.769 -12.380 3.523 93 HB3 LEU 10 2HB LEU 10 -6.698 -11.484 5.040 94 HG LEU 10 HG LEU 10 -6.536 -10.092 2.384 95 HD11 LEU 10 1HD1 LEU 10 -9.118 -10.252 3.839 96 HD12 LEU 10 2HD1 LEU 10 -8.638 -11.628 2.847 97 HD13 LEU 10 3HD1 LEU 10 -8.796 -10.031 2.118 98 HD21 LEU 10 3HD2 LEU 10 -6.315 -8.305 3.679 99 HD22 LEU 10 1HD2 LEU 10 -6.442 -9.308 5.124 100 HD23 LEU 10 2HD2 LEU 10 -7.897 -8.637 4.387 101 H TRP 11 H TRP 11 -4.198 -12.006 6.359 102 HA TRP 11 HA TRP 11 -3.999 -9.297 7.253 103 HB2 TRP 11 2HB TRP 11 -2.832 -11.644 8.723 104 HB3 TRP 11 3HB TRP 11 -3.554 -10.178 9.379 105 HD1 TRP 11 1HD TRP 11 -4.367 -13.442 9.791 106 HE1 TRP 11 1HE TRP 11 -6.878 -13.988 9.642 107 HE3 TRP 11 3HE TRP 11 -5.960 -9.261 7.319 108 HZ2 TRP 11 2HZ TRP 11 -9.224 -12.801 8.613 109 HZ3 TRP 11 3HZ TRP 11 -8.353 -9.043 6.790 110 HH2 TRP 11 2HH TRP 11 -9.949 -10.778 7.424 111 H ASN 12 H ASN 12 -1.752 -11.717 6.096 112 HA ASN 12 HA ASN 12 0.569 -10.145 6.839 113 HB2 ASN 12 1HB ASN 12 0.200 -12.780 5.421 114 HB3 ASN 12 2HB ASN 12 1.773 -11.995 5.526 115 HD21 ASN 12 2HD2 ASN 12 -0.871 -13.333 7.409 116 HD22 ASN 12 1HD2 ASN 12 0.067 -13.699 8.812 117 H TRP 13 H TRP 13 -1.500 -10.578 4.112 118 HA TRP 13 HA TRP 13 0.385 -9.459 2.219 119 HB2 TRP 13 2HB TRP 13 -1.094 -11.126 1.348 120 HB3 TRP 13 3HB TRP 13 -2.508 -10.295 1.990 121 HD1 TRP 13 1HD TRP 13 0.358 -9.224 -0.421 122 HE1 TRP 13 1HE TRP 13 -0.717 -8.028 -2.430 123 HE3 TRP 13 3HE TRP 13 -4.551 -9.577 0.959 124 HZ2 TRP 13 2HZ TRP 13 -3.305 -7.327 -3.313 125 HZ3 TRP 13 3HZ TRP 13 -6.265 -8.618 -0.524 126 HH2 TRP 13 2HH TRP 13 -5.652 -7.515 -2.615 127 H PHE 14 H PHE 14 -2.829 -8.506 3.441 128 HA PHE 14 HA PHE 14 -2.897 -5.959 2.332 129 HB2 PHE 14 2HB PHE 14 -4.877 -6.957 3.309 130 HB3 PHE 14 3HB PHE 14 -4.130 -6.965 4.903 131 HD1 PHE 14 2HD PHE 14 -4.588 -4.407 2.221 132 HD2 PHE 14 1HD PHE 14 -5.083 -5.445 6.319 133 HE1 PHE 14 2HE PHE 14 -5.530 -2.179 2.668 134 HE2 PHE 14 1HE PHE 14 -6.028 -3.219 6.772 135 HZ PHE 14 HZ PHE 14 -6.251 -1.581 4.946 136 H ASP 15 H ASP 15 -1.264 -7.134 5.178 137 HA ASP 15 HA ASP 15 -0.778 -4.703 6.482 138 HB2 ASP 15 1HB ASP 15 0.181 -7.436 6.651 139 HB3 ASP 15 2HB ASP 15 1.481 -6.283 6.942 140 H ILE 16 H ILE 16 0.715 -6.167 3.700 141 HA ILE 16 HA ILE 16 3.019 -4.444 3.709 142 HB ILE 16 HB ILE 16 1.957 -6.144 1.451 143 HG12 ILE 16 1HG1 ILE 16 4.070 -6.818 3.509 144 HG13 ILE 16 2HG1 ILE 16 2.422 -7.437 3.529 145 HG21 ILE 16 1HG2 ILE 16 4.308 -6.055 0.668 146 HG22 ILE 16 2HG2 ILE 16 3.505 -4.487 0.661 147 HG23 ILE 16 3HG2 ILE 16 4.650 -4.885 1.942 148 HD11 ILE 16 3HD1 ILE 16 4.650 -8.058 1.641 149 HD12 ILE 16 1HD1 ILE 16 3.629 -9.156 2.570 150 HD13 ILE 16 2HD1 ILE 16 2.970 -8.311 1.168 151 H THR 17 H THR 17 -0.200 -4.333 2.448 152 HA THR 17 HA THR 17 0.381 -2.216 0.555 153 HB THR 17 HB THR 17 -1.916 -2.290 -0.062 154 HG1 THR 17 1HG THR 17 -3.108 -2.387 1.744 155 HG21 THR 17 3HG2 THR 17 -1.699 -4.253 -1.100 156 HG22 THR 17 1HG2 THR 17 -1.903 -5.136 0.413 157 HG23 THR 17 2HG2 THR 17 -0.303 -4.575 -0.072 158 H ASN 18 H ASN 18 -0.398 -2.484 3.859 159 HA ASN 18 HA ASN 18 -1.956 -0.280 4.405 160 HB2 ASN 18 1HB ASN 18 -0.894 -2.082 5.983 161 HB3 ASN 18 2HB ASN 18 0.396 -0.896 6.161 162 HD21 ASN 18 2HD2 ASN 18 -1.320 -1.822 8.217 163 HD22 ASN 18 1HD2 ASN 18 -2.228 -0.467 8.789 164 H TRP 19 H TRP 19 1.611 -0.356 4.352 165 HA TRP 19 HA TRP 19 1.752 2.525 4.431 166 HB2 TRP 19 2HB TRP 19 4.093 2.266 4.608 167 HB3 TRP 19 3HB TRP 19 3.417 0.907 5.503 168 HD1 TRP 19 1HD TRP 19 3.121 -1.397 3.710 169 HE1 TRP 19 1HE TRP 19 4.995 -2.361 2.232 170 HE3 TRP 19 3HE TRP 19 6.171 2.700 3.488 171 HZ2 TRP 19 2HZ TRP 19 7.442 -1.500 1.120 172 HZ3 TRP 19 3HZ TRP 19 8.260 2.547 2.197 173 HH2 TRP 19 2HH TRP 19 8.881 0.490 1.038 174 H LEU 20 H LEU 20 1.974 -0.005 2.031 175 HA LEU 20 HA LEU 20 3.189 1.426 -0.045 176 HB2 LEU 20 1HB LEU 20 2.015 -1.099 0.307 177 HB3 LEU 20 2HB LEU 20 1.173 -0.356 -1.052 178 HG LEU 20 HG LEU 20 4.129 -0.905 -0.820 179 HD11 LEU 20 1HD1 LEU 20 2.079 -2.557 -1.599 180 HD12 LEU 20 2HD1 LEU 20 3.775 -2.729 -2.052 181 HD13 LEU 20 3HD1 LEU 20 2.655 -1.894 -3.128 182 HD21 LEU 20 3HD2 LEU 20 3.790 -0.123 -3.367 183 HD22 LEU 20 1HD2 LEU 20 4.292 0.966 -2.074 184 HD23 LEU 20 2HD2 LEU 20 2.602 0.912 -2.575 185 H TRP 21 H TRP 21 0.059 1.688 1.325 186 HA TRP 21 HA TRP 21 -1.412 2.657 -0.856 187 HB2 TRP 21 2HB TRP 21 -2.408 1.980 1.311 188 HB3 TRP 21 3HB TRP 21 -1.709 3.413 2.059 189 HD1 TRP 21 1HD TRP 21 -4.699 2.251 0.121 190 HE1 TRP 21 1HE TRP 21 -6.289 4.232 -0.297 191 HE3 TRP 21 3HE TRP 21 -1.631 6.075 1.573 192 HZ2 TRP 21 2HZ TRP 21 -6.247 7.043 -0.046 193 HZ3 TRP 21 3HZ TRP 21 -2.483 8.380 1.452 194 HH2 TRP 21 2HH TRP 21 -4.742 8.853 0.660 195 H TYR 22 H TYR 22 0.646 4.325 1.488 196 HA TYR 22 HA TYR 22 0.078 6.946 0.586 197 HB2 TYR 22 2HB TYR 22 1.150 6.260 2.795 198 HB3 TYR 22 3HB TYR 22 2.652 6.074 1.897 199 HD1 TYR 22 1HD TYR 22 0.012 8.682 1.562 200 HD2 TYR 22 2HD TYR 22 4.022 7.792 2.670 201 HE1 TYR 22 1HE TYR 22 0.464 11.084 1.831 202 HE2 TYR 22 2HE TYR 22 4.486 10.192 2.944 203 HH TYR 22 HH TYR 22 1.931 12.609 2.584 204 H ILE 23 H ILE 23 2.514 4.561 -0.303 205 HA ILE 23 HA ILE 23 4.237 6.087 -1.819 206 HB ILE 23 HB ILE 23 3.341 3.240 -2.058 207 HG12 ILE 23 1HG1 ILE 23 5.770 2.867 -1.556 208 HG13 ILE 23 2HG1 ILE 23 5.958 4.612 -1.413 209 HG21 ILE 23 1HG2 ILE 23 5.089 4.737 -3.991 210 HG22 ILE 23 2HG2 ILE 23 5.166 2.986 -3.800 211 HG23 ILE 23 3HG2 ILE 23 3.669 3.749 -4.335 212 HD11 ILE 23 3HD1 ILE 23 3.877 3.279 0.231 213 HD12 ILE 23 1HD1 ILE 23 5.569 3.090 0.690 214 HD13 ILE 23 2HD1 ILE 23 4.860 4.701 0.580 215 H LYS 24 H LYS 24 1.294 4.428 -2.952 216 HA LYS 24 HA LYS 24 1.371 5.212 -5.607 217 HB2 LYS 24 1HB LYS 24 -0.713 4.302 -3.729 218 HB3 LYS 24 2HB LYS 24 -1.307 5.216 -5.111 219 HG2 LYS 24 1HG LYS 24 -0.330 3.661 -6.643 220 HG3 LYS 24 2HG LYS 24 0.496 2.816 -5.332 221 HD2 LYS 24 1HD LYS 24 -2.420 3.046 -5.027 222 HD3 LYS 24 2HD LYS 24 -1.885 2.057 -6.388 223 HE2 LYS 24 1HE LYS 24 -0.376 0.854 -4.764 224 HE3 LYS 24 2HE LYS 24 -1.215 1.713 -3.472 225 HZ1 LYS 24 3HZ LYS 24 -3.298 0.731 -4.714 226 HZ2 LYS 24 1HZ LYS 24 -2.454 -0.171 -3.559 227 HZ3 LYS 24 2HZ LYS 24 -2.177 -0.436 -5.205 228 H LEU 25 H LEU 25 0.411 7.016 -2.775 229 HA LEU 25 HA LEU 25 -0.801 9.167 -4.243 230 HB2 LEU 25 1HB LEU 25 -0.218 8.547 -1.414 231 HB3 LEU 25 2HB LEU 25 -0.311 10.256 -1.836 232 HG LEU 25 HG LEU 25 -2.432 9.340 -0.955 233 HD11 LEU 25 1HD1 LEU 25 -3.868 10.253 -2.722 234 HD12 LEU 25 2HD1 LEU 25 -2.500 10.234 -3.834 235 HD13 LEU 25 3HD1 LEU 25 -2.466 11.278 -2.413 236 HD21 LEU 25 3HD2 LEU 25 -2.881 7.882 -3.508 237 HD22 LEU 25 1HD2 LEU 25 -3.583 7.614 -1.911 238 HD23 LEU 25 2HD2 LEU 25 -1.932 7.091 -2.247 239 H PHE 26 H PHE 26 2.379 8.378 -3.088 240 HA PHE 26 HA PHE 26 3.460 11.013 -3.270 241 HB2 PHE 26 2HB PHE 26 4.587 9.472 -1.840 242 HB3 PHE 26 3HB PHE 26 4.732 8.280 -3.128 243 HD1 PHE 26 1HD PHE 26 5.486 11.922 -3.139 244 HD2 PHE 26 2HD PHE 26 6.999 7.955 -3.436 245 HE1 PHE 26 1HE PHE 26 7.707 12.816 -3.710 246 HE2 PHE 26 2HE PHE 26 9.222 8.841 -4.006 247 HZ PHE 26 HZ PHE 26 9.579 11.274 -4.142 248 H ILE 27 H ILE 27 3.123 8.311 -5.468 249 HA ILE 27 HA ILE 27 4.911 9.146 -7.465 250 HB ILE 27 HB ILE 27 2.346 7.596 -7.839 251 HG12 ILE 27 1HG1 ILE 27 5.150 6.547 -7.410 252 HG13 ILE 27 2HG1 ILE 27 3.927 6.637 -6.145 253 HG21 ILE 27 1HG2 ILE 27 3.246 8.463 -9.927 254 HG22 ILE 27 2HG2 ILE 27 4.821 7.767 -9.551 255 HG23 ILE 27 3HG2 ILE 27 3.439 6.712 -9.844 256 HD11 ILE 27 3HD1 ILE 27 4.232 4.731 -8.350 257 HD12 ILE 27 1HD1 ILE 27 3.514 4.524 -6.753 258 HD13 ILE 27 2HD1 ILE 27 2.583 5.275 -8.049 259 H MET 28 H MET 28 1.668 10.154 -6.677 260 HA MET 28 HA MET 28 1.326 11.605 -9.163 261 HB2 MET 28 1HB MET 28 -0.394 11.563 -6.677 262 HB3 MET 28 2HB MET 28 -0.834 12.286 -8.217 263 HG2 MET 28 1HG MET 28 -0.412 9.897 -9.150 264 HG3 MET 28 2HG MET 28 -0.619 9.410 -7.469 265 HE1 MET 28 3HE MET 28 -3.604 8.926 -6.659 266 HE2 MET 28 1HE MET 28 -2.351 10.012 -6.057 267 HE3 MET 28 2HE MET 28 -3.948 10.645 -6.459 268 H ILE 29 H ILE 29 1.443 12.471 -5.703 269 HA ILE 29 HA ILE 29 1.464 15.217 -5.952 270 HB ILE 29 HB ILE 29 2.975 13.569 -3.922 271 HG12 ILE 29 1HG1 ILE 29 0.393 14.926 -3.326 272 HG13 ILE 29 2HG1 ILE 29 0.333 13.467 -4.310 273 HG21 ILE 29 1HG2 ILE 29 2.488 16.483 -4.205 274 HG22 ILE 29 2HG2 ILE 29 2.412 15.787 -2.586 275 HG23 ILE 29 3HG2 ILE 29 3.882 15.625 -3.547 276 HD11 ILE 29 3HD1 ILE 29 1.083 13.810 -1.460 277 HD12 ILE 29 1HD1 ILE 29 0.089 12.575 -2.232 278 HD13 ILE 29 2HD1 ILE 29 1.845 12.514 -2.382 279 H VAL 30 H VAL 30 4.225 12.991 -6.045 280 HA VAL 30 HA VAL 30 6.294 14.828 -6.172 281 HB VAL 30 HB VAL 30 6.572 12.357 -5.977 282 HG11 VAL 30 1HG1 VAL 30 6.656 11.977 -8.884 283 HG12 VAL 30 2HG1 VAL 30 6.054 10.909 -7.614 284 HG13 VAL 30 3HG1 VAL 30 5.040 12.219 -8.220 285 HG21 VAL 30 3HG2 VAL 30 8.283 13.022 -8.278 286 HG22 VAL 30 1HG2 VAL 30 8.288 14.200 -6.964 287 HG23 VAL 30 2HG2 VAL 30 8.719 12.520 -6.644 288 H GLY 31 H GLY 31 3.970 13.936 -8.598 289 HA2 GLY 31 1HA GLY 31 5.414 14.899 -10.858 290 HA3 GLY 31 2HA GLY 31 3.685 14.587 -10.786 291 H LYS 32 H LYS 32 3.422 16.429 -8.450 292 HA LYS 32 HA LYS 32 2.604 18.720 -9.777 293 HB2 LYS 32 1HB LYS 32 3.477 18.450 -6.894 294 HB3 LYS 32 2HB LYS 32 2.549 19.792 -7.550 295 HG2 LYS 32 1HG LYS 32 0.969 17.774 -8.305 296 HG3 LYS 32 2HG LYS 32 1.702 17.046 -6.874 297 HD2 LYS 32 1HD LYS 32 0.356 19.745 -6.929 298 HD3 LYS 32 2HD LYS 32 -0.416 18.249 -6.397 299 HE2 LYS 32 1HE LYS 32 2.026 18.420 -5.014 300 HE3 LYS 32 2HE LYS 32 1.307 20.028 -4.945 301 HZ1 LYS 32 3HZ LYS 32 -0.043 19.291 -3.372 302 HZ2 LYS 32 1HZ LYS 32 0.600 17.731 -3.490 303 HZ3 LYS 32 2HZ LYS 32 -0.717 18.177 -4.452 304 H LYS 33 H LYS 33 5.750 17.851 -8.557 305 HA LYS 33 HA LYS 33 7.118 19.721 -10.118 306 HB2 LYS 33 1HB LYS 33 5.969 20.995 -7.978 307 HB3 LYS 33 2HB LYS 33 7.575 20.626 -7.363 308 HG2 LYS 33 1HG LYS 33 8.277 22.464 -8.379 309 HG3 LYS 33 2HG LYS 33 8.030 21.623 -9.911 310 HD2 LYS 33 1HD LYS 33 6.589 23.260 -10.402 311 HD3 LYS 33 2HD LYS 33 5.497 22.482 -9.254 312 HE2 LYS 33 1HE LYS 33 5.929 24.011 -7.600 313 HE3 LYS 33 2HE LYS 33 7.537 24.385 -8.216 314 HZ1 LYS 33 3HZ LYS 33 5.101 25.146 -9.706 315 HZ2 LYS 33 1HZ LYS 33 6.666 25.770 -9.856 316 HZ3 LYS 33 2HZ LYS 33 5.737 26.137 -8.491 317 H LYS 34 H LYS 34 8.617 18.198 -10.548 318 HA LYS 34 HA LYS 34 10.253 17.264 -8.286 319 HB2 LYS 34 1HB LYS 34 10.599 15.138 -9.590 320 HB3 LYS 34 2HB LYS 34 8.979 15.361 -8.944 321 HG2 LYS 34 1HG LYS 34 8.238 16.152 -11.159 322 HG3 LYS 34 2HG LYS 34 9.853 15.823 -11.788 323 HD2 LYS 34 1HD LYS 34 9.287 13.449 -10.630 324 HD3 LYS 34 2HD LYS 34 7.667 13.967 -11.101 325 HE2 LYS 34 1HE LYS 34 9.605 14.425 -13.206 326 HE3 LYS 34 2HE LYS 34 9.559 12.733 -12.716 327 HZ1 LYS 34 3HZ LYS 34 6.990 14.044 -13.107 328 HZ2 LYS 34 1HZ LYS 34 7.471 12.469 -13.492 329 HZ3 LYS 34 2HZ LYS 34 7.903 13.755 -14.501 330 H LYS 35 H LYS 35 10.116 17.893 -11.768 331 HA LYS 35 HA LYS 35 11.675 18.642 -13.244 332 HB2 LYS 35 1HB LYS 35 12.155 20.037 -10.907 333 HB3 LYS 35 2HB LYS 35 13.737 19.380 -11.307 334 HG2 LYS 35 1HG LYS 35 13.875 21.301 -12.485 335 HG3 LYS 35 2HG LYS 35 13.070 20.317 -13.709 336 HD2 LYS 35 1HD LYS 35 10.916 21.215 -12.402 337 HD3 LYS 35 2HD LYS 35 12.022 22.548 -12.065 338 HE2 LYS 35 1HE LYS 35 12.276 21.862 -14.809 339 HE3 LYS 35 2HE LYS 35 10.557 22.005 -14.441 340 HZ1 LYS 35 3HZ LYS 35 10.937 24.201 -13.562 341 HZ2 LYS 35 1HZ LYS 35 11.549 24.116 -15.137 342 HZ3 LYS 35 2HZ LYS 35 12.604 24.064 -13.816 343 H LYS 36 H LYS 36 14.079 18.380 -13.871 344 HA LYS 36 HA LYS 36 15.733 16.937 -14.470 345 HB2 LYS 36 1HB LYS 36 15.867 17.224 -11.748 346 HB3 LYS 36 2HB LYS 36 15.787 15.476 -11.923 347 HG2 LYS 36 1HG LYS 36 17.956 15.463 -12.348 348 HG3 LYS 36 2HG LYS 36 17.643 16.367 -13.831 349 HD2 LYS 36 1HD LYS 36 19.158 17.735 -12.746 350 HD3 LYS 36 2HD LYS 36 17.615 18.433 -12.246 351 HE2 LYS 36 1HE LYS 36 18.838 18.296 -10.264 352 HE3 LYS 36 2HE LYS 36 17.794 16.876 -10.216 353 HZ1 LYS 36 3HZ LYS 36 20.099 16.387 -9.582 354 HZ2 LYS 36 1HZ LYS 36 20.623 16.864 -11.119 355 HZ3 LYS 36 2HZ LYS 36 19.618 15.515 -10.949 Start of MODEL 15 1 H1 LYS 1 H LYS 1 -1.829 -22.105 -1.365 2 HA LYS 1 HA LYS 1 -1.690 -21.720 1.449 3 HB2 LYS 1 1HB LYS 1 -4.306 -20.881 0.208 4 HB3 LYS 1 2HB LYS 1 -3.820 -20.755 1.894 5 HG2 LYS 1 1HG LYS 1 -3.409 -18.619 1.368 6 HG3 LYS 1 2HG LYS 1 -1.905 -19.260 0.701 7 HD2 LYS 1 1HD LYS 1 -3.773 -19.608 -1.329 8 HD3 LYS 1 2HD LYS 1 -4.151 -18.023 -0.648 9 HE2 LYS 1 1HE LYS 1 -1.295 -18.647 -1.144 10 HE3 LYS 1 2HE LYS 1 -2.318 -18.377 -2.555 11 HZ1 LYS 1 3HZ LYS 1 -2.247 -16.209 -2.190 12 HZ2 LYS 1 1HZ LYS 1 -1.162 -16.463 -0.918 13 HZ3 LYS 1 2HZ LYS 1 -2.824 -16.394 -0.611 14 H LYS 2 H LYS 2 -1.260 -24.008 0.417 15 HA LYS 2 HA LYS 2 -3.282 -25.679 -0.439 16 HB2 LYS 2 1HB LYS 2 -0.619 -25.972 0.334 17 HB3 LYS 2 2HB LYS 2 -1.506 -27.041 1.412 18 HG2 LYS 2 1HG LYS 2 -1.013 -28.422 -0.364 19 HG3 LYS 2 2HG LYS 2 -2.649 -27.880 -0.752 20 HD2 LYS 2 1HD LYS 2 -0.881 -25.977 -1.846 21 HD3 LYS 2 2HD LYS 2 -0.233 -27.565 -2.258 22 HE2 LYS 2 1HE LYS 2 -2.205 -28.195 -3.373 23 HE3 LYS 2 2HE LYS 2 -3.130 -26.878 -2.654 24 HZ1 LYS 2 3HZ LYS 2 -1.695 -26.897 -5.074 25 HZ2 LYS 2 1HZ LYS 2 -1.013 -25.736 -4.050 26 HZ3 LYS 2 2HZ LYS 2 -2.661 -25.667 -4.428 27 H LYS 3 H LYS 3 -2.109 -25.461 2.927 28 HA LYS 3 HA LYS 3 -4.695 -26.512 3.827 29 HB2 LYS 3 1HB LYS 3 -2.200 -26.136 5.482 30 HB3 LYS 3 2HB LYS 3 -3.615 -27.101 5.880 31 HG2 LYS 3 1HG LYS 3 -3.024 -28.467 3.790 32 HG3 LYS 3 2HG LYS 3 -1.450 -27.672 3.894 33 HD2 LYS 3 1HD LYS 3 -1.250 -28.491 6.229 34 HD3 LYS 3 2HD LYS 3 -2.764 -29.373 6.013 35 HE2 LYS 3 1HE LYS 3 -1.334 -31.045 5.466 36 HE3 LYS 3 2HE LYS 3 -1.446 -30.283 3.880 37 HZ1 LYS 3 3HZ LYS 3 0.860 -30.820 4.901 38 HZ2 LYS 3 1HZ LYS 3 0.620 -29.387 5.769 39 HZ3 LYS 3 2HZ LYS 3 0.630 -29.360 4.078 40 H LYS 4 H LYS 4 -2.678 -23.694 3.900 41 HA LYS 4 HA LYS 4 -3.903 -22.375 6.089 42 HB2 LYS 4 1HB LYS 4 -2.484 -21.167 3.708 43 HB3 LYS 4 2HB LYS 4 -2.816 -20.358 5.234 44 HG2 LYS 4 1HG LYS 4 -1.004 -21.215 6.189 45 HG3 LYS 4 2HG LYS 4 -1.380 -22.843 5.619 46 HD2 LYS 4 1HD LYS 4 -0.474 -22.193 3.387 47 HD3 LYS 4 2HD LYS 4 0.035 -20.658 4.095 48 HE2 LYS 4 1HE LYS 4 0.881 -23.317 5.215 49 HE3 LYS 4 2HE LYS 4 1.788 -22.492 3.949 50 HZ1 LYS 4 3HZ LYS 4 2.815 -21.784 5.874 51 HZ2 LYS 4 1HZ LYS 4 1.370 -21.682 6.750 52 HZ3 LYS 4 2HZ LYS 4 1.732 -20.519 5.576 53 H ASP 5 H ASP 5 -4.970 -20.130 5.657 54 HA ASP 5 HA ASP 5 -7.121 -20.542 3.685 55 HB2 ASP 5 1HB ASP 5 -7.144 -19.520 6.488 56 HB3 ASP 5 2HB ASP 5 -8.305 -18.845 5.348 57 H LYS 6 H LYS 6 -7.630 -18.921 2.298 58 HA LYS 6 HA LYS 6 -5.734 -17.007 1.619 59 HB2 LYS 6 1HB LYS 6 -7.461 -16.024 0.187 60 HB3 LYS 6 2HB LYS 6 -7.467 -17.779 0.073 61 HG2 LYS 6 1HG LYS 6 -9.661 -17.639 0.396 62 HG3 LYS 6 2HG LYS 6 -9.277 -17.288 2.081 63 HD2 LYS 6 1HD LYS 6 -10.575 -15.472 1.634 64 HD3 LYS 6 2HD LYS 6 -9.021 -14.828 1.100 65 HE2 LYS 6 1HE LYS 6 -9.742 -15.917 -1.189 66 HE3 LYS 6 2HE LYS 6 -11.358 -15.744 -0.504 67 HZ1 LYS 6 3HZ LYS 6 -11.332 -13.573 -0.898 68 HZ2 LYS 6 1HZ LYS 6 -9.924 -13.809 -1.807 69 HZ3 LYS 6 2HZ LYS 6 -9.815 -13.371 -0.177 70 H TRP 7 H TRP 7 -8.454 -16.812 3.820 71 HA TRP 7 HA TRP 7 -8.498 -14.005 4.126 72 HB2 TRP 7 2HB TRP 7 -9.407 -16.247 5.932 73 HB3 TRP 7 3HB TRP 7 -9.658 -14.546 6.314 74 HD1 TRP 7 1HD TRP 7 -11.619 -17.223 5.117 75 HE1 TRP 7 1HE TRP 7 -13.501 -16.470 3.529 76 HE3 TRP 7 3HE TRP 7 -9.888 -12.553 3.965 77 HZ2 TRP 7 2HZ TRP 7 -14.162 -14.197 1.991 78 HZ3 TRP 7 3HZ TRP 7 -11.204 -11.154 2.427 79 HH2 TRP 7 2HH TRP 7 -13.296 -11.960 1.462 80 H ALA 8 H ALA 8 -6.795 -16.569 5.875 81 HA ALA 8 HA ALA 8 -5.684 -14.965 7.895 82 HB1 ALA 8 3HB ALA 8 -4.164 -16.784 8.300 83 HB2 ALA 8 1HB ALA 8 -5.756 -17.442 7.924 84 HB3 ALA 8 2HB ALA 8 -4.484 -17.460 6.703 85 H SER 9 H SER 9 -4.428 -15.906 4.711 86 HA SER 9 HA SER 9 -1.924 -14.632 4.978 87 HB2 SER 9 1HB SER 9 -3.313 -16.116 2.973 88 HB3 SER 9 2HB SER 9 -2.701 -14.635 2.236 89 HG SER 9 HG SER 9 -1.311 -16.704 2.521 90 H LEU 10 H LEU 10 -5.085 -13.460 4.184 91 HA LEU 10 HA LEU 10 -4.458 -11.119 2.802 92 HB2 LEU 10 1HB LEU 10 -6.738 -12.189 3.279 93 HB3 LEU 10 2HB LEU 10 -6.688 -11.301 4.801 94 HG LEU 10 HG LEU 10 -6.414 -9.902 2.158 95 HD11 LEU 10 1HD1 LEU 10 -8.567 -11.388 2.552 96 HD12 LEU 10 2HD1 LEU 10 -8.663 -9.785 1.825 97 HD13 LEU 10 3HD1 LEU 10 -9.042 -10.002 3.534 98 HD21 LEU 10 3HD2 LEU 10 -6.187 -8.126 3.466 99 HD22 LEU 10 1HD2 LEU 10 -6.381 -9.131 4.903 100 HD23 LEU 10 2HD2 LEU 10 -7.797 -8.422 4.127 101 H TRP 11 H TRP 11 -4.243 -11.891 6.190 102 HA TRP 11 HA TRP 11 -4.003 -9.191 7.103 103 HB2 TRP 11 2HB TRP 11 -2.939 -11.573 8.597 104 HB3 TRP 11 3HB TRP 11 -3.644 -10.092 9.237 105 HD1 TRP 11 1HD TRP 11 -4.552 -13.337 9.608 106 HE1 TRP 11 1HE TRP 11 -7.070 -13.817 9.382 107 HE3 TRP 11 3HE TRP 11 -5.963 -9.104 7.112 108 HZ2 TRP 11 2HZ TRP 11 -9.353 -12.567 8.289 109 HZ3 TRP 11 3HZ TRP 11 -8.333 -8.824 6.513 110 HH2 TRP 11 2HH TRP 11 -9.991 -10.520 7.090 111 H ASN 12 H ASN 12 -1.782 -11.667 6.011 112 HA ASN 12 HA ASN 12 0.553 -10.154 6.825 113 HB2 ASN 12 1HB ASN 12 0.137 -12.791 5.438 114 HB3 ASN 12 2HB ASN 12 1.729 -12.042 5.504 115 HD21 ASN 12 2HD2 ASN 12 -0.956 -13.122 7.520 116 HD22 ASN 12 1HD2 ASN 12 0.008 -13.540 8.892 117 H TRP 13 H TRP 13 -1.441 -10.535 4.036 118 HA TRP 13 HA TRP 13 0.527 -9.473 2.197 119 HB2 TRP 13 2HB TRP 13 -0.984 -11.090 1.286 120 HB3 TRP 13 3HB TRP 13 -2.386 -10.211 1.891 121 HD1 TRP 13 1HD TRP 13 0.579 -9.247 -0.447 122 HE1 TRP 13 1HE TRP 13 -0.402 -8.011 -2.481 123 HE3 TRP 13 3HE TRP 13 -4.374 -9.412 0.813 124 HZ2 TRP 13 2HZ TRP 13 -2.938 -7.212 -3.426 125 HZ3 TRP 13 3HZ TRP 13 -6.013 -8.388 -0.711 126 HH2 TRP 13 2HH TRP 13 -5.308 -7.311 -2.786 127 H PHE 14 H PHE 14 -2.686 -8.413 3.334 128 HA PHE 14 HA PHE 14 -2.593 -5.851 2.232 129 HB2 PHE 14 2HB PHE 14 -4.654 -6.870 3.100 130 HB3 PHE 14 3HB PHE 14 -4.022 -6.762 4.740 131 HD1 PHE 14 1HD PHE 14 -4.696 -4.576 1.794 132 HD2 PHE 14 2HD PHE 14 -4.655 -4.973 6.031 133 HE1 PHE 14 1HE PHE 14 -5.662 -2.324 2.010 134 HE2 PHE 14 2HE PHE 14 -5.622 -2.721 6.255 135 HZ PHE 14 HZ PHE 14 -6.127 -1.394 4.243 136 H ASP 15 H ASP 15 -1.109 -7.149 5.080 137 HA ASP 15 HA ASP 15 -0.669 -4.798 6.539 138 HB2 ASP 15 1HB ASP 15 -0.231 -6.800 7.685 139 HB3 ASP 15 2HB ASP 15 0.780 -7.428 6.387 140 H ILE 16 H ILE 16 1.010 -6.173 3.792 141 HA ILE 16 HA ILE 16 3.229 -4.341 3.964 142 HB ILE 16 HB ILE 16 2.412 -6.185 1.715 143 HG12 ILE 16 1HG1 ILE 16 4.820 -6.801 3.271 144 HG13 ILE 16 2HG1 ILE 16 3.336 -6.871 4.216 145 HG21 ILE 16 1HG2 ILE 16 3.812 -4.783 0.605 146 HG22 ILE 16 2HG2 ILE 16 4.654 -4.283 2.070 147 HG23 ILE 16 3HG2 ILE 16 5.022 -5.840 1.330 148 HD11 ILE 16 3HD1 ILE 16 2.392 -8.423 2.557 149 HD12 ILE 16 1HD1 ILE 16 3.928 -8.395 1.691 150 HD13 ILE 16 2HD1 ILE 16 3.850 -9.044 3.330 151 H THR 17 H THR 17 0.115 -4.416 2.461 152 HA THR 17 HA THR 17 0.726 -2.290 0.589 153 HB THR 17 HB THR 17 -1.511 -2.494 -0.199 154 HG1 THR 17 1HG THR 17 -3.034 -3.819 0.977 155 HG21 THR 17 3HG2 THR 17 -1.113 -4.453 -1.189 156 HG22 THR 17 1HG2 THR 17 -1.384 -5.330 0.315 157 HG23 THR 17 2HG2 THR 17 0.217 -4.689 -0.055 158 H ASN 18 H ASN 18 -0.287 -2.566 3.828 159 HA ASN 18 HA ASN 18 -1.996 -0.443 4.223 160 HB2 ASN 18 1HB ASN 18 -0.295 -2.079 5.848 161 HB3 ASN 18 2HB ASN 18 -0.142 -0.404 6.373 162 HD21 ASN 18 2HD2 ASN 18 -1.603 0.326 7.738 163 HD22 ASN 18 1HD2 ASN 18 -3.145 -0.389 8.051 164 H TRP 19 H TRP 19 1.564 -0.328 4.440 165 HA TRP 19 HA TRP 19 1.547 2.557 4.487 166 HB2 TRP 19 2HB TRP 19 3.878 2.425 4.845 167 HB3 TRP 19 3HB TRP 19 3.208 1.041 5.704 168 HD1 TRP 19 1HD TRP 19 3.172 -1.292 3.928 169 HE1 TRP 19 1HE TRP 19 5.201 -2.170 2.609 170 HE3 TRP 19 3HE TRP 19 6.008 2.960 3.878 171 HZ2 TRP 19 2HZ TRP 19 7.676 -1.189 1.672 172 HZ3 TRP 19 3HZ TRP 19 8.194 2.906 2.750 173 HH2 TRP 19 2HH TRP 19 9.009 0.874 1.671 174 H LEU 20 H LEU 20 2.082 0.019 2.148 175 HA LEU 20 HA LEU 20 3.374 1.493 0.149 176 HB2 LEU 20 1HB LEU 20 2.314 -1.090 0.447 177 HB3 LEU 20 2HB LEU 20 1.540 -0.408 -0.982 178 HG LEU 20 HG LEU 20 4.493 -0.793 -0.518 179 HD11 LEU 20 1HD1 LEU 20 2.449 -2.094 -2.287 180 HD12 LEU 20 2HD1 LEU 20 3.566 -2.846 -1.148 181 HD13 LEU 20 3HD1 LEU 20 4.175 -2.154 -2.652 182 HD21 LEU 20 3HD2 LEU 20 3.010 0.917 -2.413 183 HD22 LEU 20 1HD2 LEU 20 4.314 -0.059 -3.093 184 HD23 LEU 20 2HD2 LEU 20 4.651 1.073 -1.783 185 H TRP 21 H TRP 21 0.140 1.599 1.277 186 HA TRP 21 HA TRP 21 -1.211 2.463 -1.023 187 HB2 TRP 21 2HB TRP 21 -2.331 1.755 1.071 188 HB3 TRP 21 3HB TRP 21 -1.768 3.231 1.851 189 HD1 TRP 21 1HD TRP 21 -4.537 1.892 -0.291 190 HE1 TRP 21 1HE TRP 21 -6.193 3.780 -0.854 191 HE3 TRP 21 3HE TRP 21 -1.794 5.888 1.335 192 HZ2 TRP 21 2HZ TRP 21 -6.318 6.592 -0.639 193 HZ3 TRP 21 3HZ TRP 21 -2.753 8.143 1.120 194 HH2 TRP 21 2HH TRP 21 -4.970 8.486 0.153 195 H TYR 22 H TYR 22 0.573 4.264 1.444 196 HA TYR 22 HA TYR 22 -0.066 6.841 0.464 197 HB2 TYR 22 2HB TYR 22 0.871 6.238 2.758 198 HB3 TYR 22 3HB TYR 22 2.444 6.123 1.977 199 HD1 TYR 22 1HD TYR 22 -0.295 8.582 1.406 200 HD2 TYR 22 2HD TYR 22 3.660 7.920 2.827 201 HE1 TYR 22 1HE TYR 22 0.008 11.008 1.673 202 HE2 TYR 22 2HE TYR 22 3.974 10.345 3.100 203 HH TYR 22 HH TYR 22 2.183 12.400 3.487 204 H ILE 23 H ILE 23 2.554 4.583 -0.206 205 HA ILE 23 HA ILE 23 4.306 6.182 -1.609 206 HB ILE 23 HB ILE 23 3.578 3.290 -1.875 207 HG12 ILE 23 1HG1 ILE 23 5.977 3.049 -1.188 208 HG13 ILE 23 2HG1 ILE 23 6.068 4.802 -1.058 209 HG21 ILE 23 1HG2 ILE 23 5.386 4.858 -3.694 210 HG22 ILE 23 2HG2 ILE 23 5.539 3.115 -3.473 211 HG23 ILE 23 3HG2 ILE 23 4.049 3.793 -4.129 212 HD11 ILE 23 3HD1 ILE 23 3.940 3.383 0.449 213 HD12 ILE 23 1HD1 ILE 23 5.602 3.292 1.035 214 HD13 ILE 23 2HD1 ILE 23 4.817 4.861 0.845 215 H LYS 24 H LYS 24 1.551 4.356 -2.940 216 HA LYS 24 HA LYS 24 1.786 5.122 -5.591 217 HB2 LYS 24 1HB LYS 24 -0.391 4.130 -3.863 218 HB3 LYS 24 2HB LYS 24 -0.914 4.984 -5.308 219 HG2 LYS 24 1HG LYS 24 0.202 3.451 -6.728 220 HG3 LYS 24 2HG LYS 24 1.055 2.714 -5.369 221 HD2 LYS 24 1HD LYS 24 -1.916 2.715 -5.304 222 HD3 LYS 24 2HD LYS 24 -1.120 1.621 -6.437 223 HE2 LYS 24 1HE LYS 24 0.241 0.756 -4.539 224 HE3 LYS 24 2HE LYS 24 -0.723 1.753 -3.451 225 HZ1 LYS 24 3HZ LYS 24 -1.659 -0.395 -3.417 226 HZ2 LYS 24 1HZ LYS 24 -1.638 -0.528 -5.104 227 HZ3 LYS 24 2HZ LYS 24 -2.708 0.546 -4.354 228 H LEU 25 H LEU 25 0.512 6.894 -2.863 229 HA LEU 25 HA LEU 25 -0.691 8.966 -4.447 230 HB2 LEU 25 1HB LEU 25 -0.293 8.405 -1.574 231 HB3 LEU 25 2HB LEU 25 -0.447 10.102 -2.026 232 HG LEU 25 HG LEU 25 -2.575 9.078 -1.294 233 HD11 LEU 25 1HD1 LEU 25 -2.520 9.903 -4.194 234 HD12 LEU 25 2HD1 LEU 25 -2.555 10.998 -2.812 235 HD13 LEU 25 3HD1 LEU 25 -3.924 9.932 -3.127 236 HD21 LEU 25 3HD2 LEU 25 -2.755 7.575 -3.852 237 HD22 LEU 25 1HD2 LEU 25 -3.552 7.281 -2.306 238 HD23 LEU 25 2HD2 LEU 25 -1.854 6.850 -2.519 239 H PHE 26 H PHE 26 2.427 8.362 -3.036 240 HA PHE 26 HA PHE 26 3.380 11.047 -3.167 241 HB2 PHE 26 2HB PHE 26 4.473 9.566 -1.644 242 HB3 PHE 26 3HB PHE 26 4.785 8.387 -2.914 243 HD1 PHE 26 1HD PHE 26 5.329 12.066 -2.875 244 HD2 PHE 26 2HD PHE 26 7.084 8.192 -3.044 245 HE1 PHE 26 1HE PHE 26 7.533 13.085 -3.272 246 HE2 PHE 26 2HE PHE 26 9.290 9.204 -3.441 247 HZ PHE 26 HZ PHE 26 9.517 11.654 -3.555 248 H ILE 27 H ILE 27 3.315 8.333 -5.370 249 HA ILE 27 HA ILE 27 5.210 9.261 -7.235 250 HB ILE 27 HB ILE 27 2.786 7.546 -7.783 251 HG12 ILE 27 1HG1 ILE 27 5.604 6.674 -7.120 252 HG13 ILE 27 2HG1 ILE 27 4.286 6.708 -5.954 253 HG21 ILE 27 1HG2 ILE 27 3.716 8.366 -9.829 254 HG22 ILE 27 2HG2 ILE 27 5.351 7.971 -9.303 255 HG23 ILE 27 3HG2 ILE 27 4.199 6.680 -9.646 256 HD11 ILE 27 3HD1 ILE 27 3.053 5.164 -7.553 257 HD12 ILE 27 1HD1 ILE 27 4.606 4.954 -8.361 258 HD13 ILE 27 2HD1 ILE 27 4.421 4.490 -6.669 259 H MET 28 H MET 28 1.838 10.019 -6.726 260 HA MET 28 HA MET 28 1.610 11.456 -9.232 261 HB2 MET 28 1HB MET 28 -0.330 11.299 -6.919 262 HB3 MET 28 2HB MET 28 -0.675 11.934 -8.522 263 HG2 MET 28 1HG MET 28 0.045 9.559 -9.311 264 HG3 MET 28 2HG MET 28 -0.301 9.112 -7.642 265 HE1 MET 28 3HE MET 28 -3.972 9.879 -7.157 266 HE2 MET 28 1HE MET 28 -3.018 8.406 -6.980 267 HE3 MET 28 2HE MET 28 -2.354 9.954 -6.454 268 H ILE 29 H ILE 29 1.411 12.284 -5.769 269 HA ILE 29 HA ILE 29 1.193 15.024 -5.987 270 HB ILE 29 HB ILE 29 2.739 13.495 -3.890 271 HG12 ILE 29 1HG1 ILE 29 -0.055 14.558 -3.597 272 HG13 ILE 29 2HG1 ILE 29 0.225 12.995 -4.356 273 HG21 ILE 29 1HG2 ILE 29 1.919 16.347 -4.134 274 HG22 ILE 29 2HG2 ILE 29 1.931 15.595 -2.540 275 HG23 ILE 29 3HG2 ILE 29 3.410 15.652 -3.499 276 HD11 ILE 29 3HD1 ILE 29 -0.152 12.399 -2.178 277 HD12 ILE 29 1HD1 ILE 29 1.607 12.516 -2.204 278 HD13 ILE 29 2HD1 ILE 29 0.645 13.832 -1.532 279 H VAL 30 H VAL 30 4.169 13.084 -5.859 280 HA VAL 30 HA VAL 30 6.023 15.154 -5.913 281 HB VAL 30 HB VAL 30 6.565 12.744 -5.557 282 HG11 VAL 30 1HG1 VAL 30 5.212 11.926 -7.492 283 HG12 VAL 30 2HG1 VAL 30 6.475 12.538 -8.562 284 HG13 VAL 30 3HG1 VAL 30 6.842 11.257 -7.407 285 HG21 VAL 30 3HG2 VAL 30 8.253 13.839 -7.785 286 HG22 VAL 30 1HG2 VAL 30 8.224 14.594 -6.191 287 HG23 VAL 30 2HG2 VAL 30 8.755 12.921 -6.366 288 H GLY 31 H GLY 31 4.005 13.897 -8.442 289 HA2 GLY 31 1HA GLY 31 5.538 15.064 -10.591 290 HA3 GLY 31 2HA GLY 31 3.962 14.300 -10.727 291 H LYS 32 H LYS 32 3.083 16.139 -8.438 292 HA LYS 32 HA LYS 32 1.782 18.060 -9.990 293 HB2 LYS 32 1HB LYS 32 2.395 18.026 -7.032 294 HB3 LYS 32 2HB LYS 32 1.327 19.196 -7.796 295 HG2 LYS 32 1HG LYS 32 -0.044 17.253 -8.611 296 HG3 LYS 32 2HG LYS 32 0.940 16.225 -7.566 297 HD2 LYS 32 1HD LYS 32 0.178 17.312 -5.613 298 HD3 LYS 32 2HD LYS 32 -0.512 18.650 -6.535 299 HE2 LYS 32 1HE LYS 32 -1.479 15.806 -6.751 300 HE3 LYS 32 2HE LYS 32 -2.169 16.984 -5.635 301 HZ1 LYS 32 3HZ LYS 32 -2.803 18.362 -7.475 302 HZ2 LYS 32 1HZ LYS 32 -3.400 16.801 -7.741 303 HZ3 LYS 32 2HZ LYS 32 -2.033 17.338 -8.581 304 H LYS 33 H LYS 33 4.581 18.472 -7.822 305 HA LYS 33 HA LYS 33 5.103 21.083 -9.039 306 HB2 LYS 33 1HB LYS 33 5.145 20.384 -6.444 307 HB3 LYS 33 2HB LYS 33 6.824 20.055 -6.849 308 HG2 LYS 33 1HG LYS 33 7.041 22.362 -7.693 309 HG3 LYS 33 2HG LYS 33 5.381 22.676 -7.185 310 HD2 LYS 33 1HD LYS 33 6.441 23.426 -5.321 311 HD3 LYS 33 2HD LYS 33 6.344 21.718 -4.885 312 HE2 LYS 33 1HE LYS 33 8.691 22.468 -6.491 313 HE3 LYS 33 2HE LYS 33 8.629 23.185 -4.881 314 HZ1 LYS 33 3HZ LYS 33 9.192 21.255 -3.981 315 HZ2 LYS 33 1HZ LYS 33 9.453 20.637 -5.534 316 HZ3 LYS 33 2HZ LYS 33 7.951 20.432 -4.783 317 H LYS 34 H LYS 34 5.581 18.643 -10.521 318 HA LYS 34 HA LYS 34 8.388 19.109 -11.157 319 HB2 LYS 34 1HB LYS 34 8.147 17.137 -9.532 320 HB3 LYS 34 2HB LYS 34 7.384 16.283 -10.868 321 HG2 LYS 34 1HG LYS 34 9.384 16.476 -12.195 322 HG3 LYS 34 2HG LYS 34 10.151 17.469 -10.953 323 HD2 LYS 34 1HD LYS 34 10.543 15.689 -9.579 324 HD3 LYS 34 2HD LYS 34 9.127 14.800 -10.147 325 HE2 LYS 34 1HE LYS 34 10.547 13.557 -11.335 326 HE3 LYS 34 2HE LYS 34 10.741 14.961 -12.384 327 HZ1 LYS 34 3HZ LYS 34 12.808 13.842 -11.329 328 HZ2 LYS 34 1HZ LYS 34 12.382 14.734 -9.956 329 HZ3 LYS 34 2HZ LYS 34 12.724 15.529 -11.409 330 H LYS 35 H LYS 35 8.981 18.429 -13.279 331 HA LYS 35 HA LYS 35 6.660 18.116 -15.062 332 HB2 LYS 35 1HB LYS 35 8.250 20.162 -15.201 333 HB3 LYS 35 2HB LYS 35 9.376 19.041 -15.957 334 HG2 LYS 35 1HG LYS 35 8.275 19.066 -17.897 335 HG3 LYS 35 2HG LYS 35 6.699 18.945 -17.110 336 HD2 LYS 35 1HD LYS 35 6.733 21.035 -18.226 337 HD3 LYS 35 2HD LYS 35 6.945 21.385 -16.509 338 HE2 LYS 35 1HE LYS 35 8.497 22.733 -17.714 339 HE3 LYS 35 2HE LYS 35 9.414 21.454 -16.920 340 HZ1 LYS 35 3HZ LYS 35 9.890 20.444 -18.890 341 HZ2 LYS 35 1HZ LYS 35 9.805 22.047 -19.425 342 HZ3 LYS 35 2HZ LYS 35 8.495 21.005 -19.665 343 H LYS 36 H LYS 36 7.269 15.783 -14.049 344 HA LYS 36 HA LYS 36 7.975 13.655 -14.455 345 HB2 LYS 36 1HB LYS 36 8.062 14.562 -17.335 346 HB3 LYS 36 2HB LYS 36 7.860 12.916 -16.750 347 HG2 LYS 36 1HG LYS 36 5.894 15.131 -16.222 348 HG3 LYS 36 2HG LYS 36 5.773 14.001 -17.572 349 HD2 LYS 36 1HD LYS 36 5.309 12.202 -16.196 350 HD3 LYS 36 2HD LYS 36 6.063 12.954 -14.788 351 HE2 LYS 36 1HE LYS 36 3.752 13.031 -14.364 352 HE3 LYS 36 2HE LYS 36 4.180 14.660 -14.885 353 HZ1 LYS 36 3HZ LYS 36 3.509 13.212 -17.163 354 HZ2 LYS 36 1HZ LYS 36 2.653 14.490 -16.457 355 HZ3 LYS 36 2HZ LYS 36 2.307 12.893 -16.016 Start of MODEL 16 1 H1 LYS 1 H LYS 1 4.665 -19.779 11.884 2 HA LYS 1 HA LYS 1 3.254 -21.631 11.168 3 HB2 LYS 1 1HB LYS 1 3.600 -21.823 14.160 4 HB3 LYS 1 2HB LYS 1 3.539 -23.147 13.004 5 HG2 LYS 1 1HG LYS 1 5.639 -21.955 11.991 6 HG3 LYS 1 2HG LYS 1 5.755 -21.254 13.607 7 HD2 LYS 1 1HD LYS 1 6.840 -23.117 14.190 8 HD3 LYS 1 2HD LYS 1 5.277 -23.932 14.092 9 HE2 LYS 1 1HE LYS 1 5.759 -24.907 12.091 10 HE3 LYS 1 2HE LYS 1 6.792 -23.578 11.568 11 HZ1 LYS 1 3HZ LYS 1 8.601 -24.538 12.438 12 HZ2 LYS 1 1HZ LYS 1 7.691 -25.965 12.392 13 HZ3 LYS 1 2HZ LYS 1 7.798 -25.075 13.826 14 H LYS 2 H LYS 2 1.538 -23.155 12.491 15 HA LYS 2 HA LYS 2 -0.678 -23.444 12.921 16 HB2 LYS 2 1HB LYS 2 0.289 -21.844 14.897 17 HB3 LYS 2 2HB LYS 2 -1.007 -20.837 14.265 18 HG2 LYS 2 1HG LYS 2 -2.380 -23.078 14.467 19 HG3 LYS 2 2HG LYS 2 -1.142 -23.449 15.669 20 HD2 LYS 2 1HD LYS 2 -1.815 -21.768 17.079 21 HD3 LYS 2 2HD LYS 2 -2.468 -20.784 15.768 22 HE2 LYS 2 1HE LYS 2 -4.230 -21.709 17.219 23 HE3 LYS 2 2HE LYS 2 -4.366 -22.271 15.554 24 HZ1 LYS 2 3HZ LYS 2 -4.114 -24.368 16.198 25 HZ2 LYS 2 1HZ LYS 2 -4.313 -23.838 17.791 26 HZ3 LYS 2 2HZ LYS 2 -2.759 -24.013 17.147 27 H LYS 3 H LYS 3 0.136 -21.988 10.504 28 HA LYS 3 HA LYS 3 -2.334 -20.444 10.044 29 HB2 LYS 3 1HB LYS 3 0.468 -19.897 9.364 30 HB3 LYS 3 2HB LYS 3 -0.642 -19.694 8.015 31 HG2 LYS 3 1HG LYS 3 -2.024 -18.219 9.503 32 HG3 LYS 3 2HG LYS 3 -0.705 -18.292 10.673 33 HD2 LYS 3 1HD LYS 3 -0.396 -17.357 7.822 34 HD3 LYS 3 2HD LYS 3 -0.652 -16.281 9.198 35 HE2 LYS 3 1HE LYS 3 1.402 -17.193 10.235 36 HE3 LYS 3 2HE LYS 3 1.670 -18.161 8.786 37 HZ1 LYS 3 3HZ LYS 3 2.310 -15.442 9.254 38 HZ2 LYS 3 1HZ LYS 3 1.287 -15.573 7.912 39 HZ3 LYS 3 2HZ LYS 3 2.745 -16.431 7.952 40 H LYS 4 H LYS 4 -3.602 -20.984 8.342 41 HA LYS 4 HA LYS 4 -2.787 -22.414 6.068 42 HB2 LYS 4 1HB LYS 4 -3.889 -24.586 6.525 43 HB3 LYS 4 2HB LYS 4 -2.489 -24.302 7.550 44 HG2 LYS 4 1HG LYS 4 -3.765 -24.774 9.295 45 HG3 LYS 4 2HG LYS 4 -4.660 -23.286 8.978 46 HD2 LYS 4 1HD LYS 4 -6.448 -24.596 8.701 47 HD3 LYS 4 2HD LYS 4 -5.725 -25.063 7.160 48 HE2 LYS 4 1HE LYS 4 -6.091 -27.118 8.122 49 HE3 LYS 4 2HE LYS 4 -4.433 -26.796 8.628 50 HZ1 LYS 4 3HZ LYS 4 -6.901 -26.495 10.242 51 HZ2 LYS 4 1HZ LYS 4 -5.397 -25.893 10.731 52 HZ3 LYS 4 2HZ LYS 4 -5.612 -27.556 10.515 53 H ASP 5 H ASP 5 -4.291 -20.181 6.370 54 HA ASP 5 HA ASP 5 -6.821 -21.024 5.206 55 HB2 ASP 5 1HB ASP 5 -6.569 -19.838 7.864 56 HB3 ASP 5 2HB ASP 5 -7.641 -18.923 6.808 57 H LYS 6 H LYS 6 -7.842 -19.401 3.943 58 HA LYS 6 HA LYS 6 -6.107 -17.773 2.481 59 HB2 LYS 6 1HB LYS 6 -8.156 -18.482 1.479 60 HB3 LYS 6 2HB LYS 6 -9.111 -17.743 2.759 61 HG2 LYS 6 1HG LYS 6 -7.421 -15.811 1.417 62 HG3 LYS 6 2HG LYS 6 -8.508 -16.639 0.300 63 HD2 LYS 6 1HD LYS 6 -9.657 -15.690 2.864 64 HD3 LYS 6 2HD LYS 6 -9.232 -14.465 1.666 65 HE2 LYS 6 1HE LYS 6 -10.687 -16.787 0.605 66 HE3 LYS 6 2HE LYS 6 -11.599 -15.800 1.748 67 HZ1 LYS 6 3HZ LYS 6 -11.687 -14.077 0.322 68 HZ2 LYS 6 1HZ LYS 6 -11.451 -15.274 -0.850 69 HZ3 LYS 6 2HZ LYS 6 -10.141 -14.352 -0.306 70 H TRP 7 H TRP 7 -8.499 -16.856 4.954 71 HA TRP 7 HA TRP 7 -8.032 -14.114 4.947 72 HB2 TRP 7 2HB TRP 7 -8.799 -15.857 7.299 73 HB3 TRP 7 3HB TRP 7 -8.991 -14.108 7.212 74 HD1 TRP 7 1HD TRP 7 -10.927 -17.153 6.756 75 HE1 TRP 7 1HE TRP 7 -13.066 -16.712 5.395 76 HE3 TRP 7 3HE TRP 7 -9.765 -12.538 4.890 77 HZ2 TRP 7 2HZ TRP 7 -14.122 -14.677 3.747 78 HZ3 TRP 7 3HZ TRP 7 -11.394 -11.412 3.429 79 HH2 TRP 7 2HH TRP 7 -13.526 -12.462 2.870 80 H ALA 8 H ALA 8 -6.280 -16.712 6.529 81 HA ALA 8 HA ALA 8 -4.744 -15.290 8.342 82 HB1 ALA 8 3HB ALA 8 -3.677 -17.586 6.722 83 HB2 ALA 8 1HB ALA 8 -3.260 -17.125 8.373 84 HB3 ALA 8 2HB ALA 8 -4.853 -17.798 8.018 85 H SER 9 H SER 9 -4.140 -15.880 4.897 86 HA SER 9 HA SER 9 -1.635 -14.537 4.844 87 HB2 SER 9 1HB SER 9 -3.434 -15.804 2.904 88 HB3 SER 9 2HB SER 9 -2.553 -14.423 2.253 89 HG SER 9 HG SER 9 -1.530 -16.618 2.191 90 H LEU 10 H LEU 10 -4.953 -13.527 4.454 91 HA LEU 10 HA LEU 10 -4.651 -11.096 3.164 92 HB2 LEU 10 1HB LEU 10 -6.777 -12.305 3.932 93 HB3 LEU 10 2HB LEU 10 -6.537 -11.475 5.468 94 HG LEU 10 HG LEU 10 -6.739 -9.962 2.882 95 HD11 LEU 10 1HD1 LEU 10 -9.025 -9.920 2.930 96 HD12 LEU 10 2HD1 LEU 10 -9.109 -10.305 4.648 97 HD13 LEU 10 3HD1 LEU 10 -8.729 -11.570 3.479 98 HD21 LEU 10 3HD2 LEU 10 -6.403 -8.228 4.224 99 HD22 LEU 10 1HD2 LEU 10 -6.323 -9.298 5.624 100 HD23 LEU 10 2HD2 LEU 10 -7.875 -8.639 5.105 101 H TRP 11 H TRP 11 -3.878 -11.980 6.442 102 HA TRP 11 HA TRP 11 -3.634 -9.308 7.430 103 HB2 TRP 11 2HB TRP 11 -2.234 -11.679 8.632 104 HB3 TRP 11 3HB TRP 11 -2.904 -10.265 9.440 105 HD1 TRP 11 1HD TRP 11 -3.578 -13.568 9.798 106 HE1 TRP 11 1HE TRP 11 -6.073 -14.181 9.937 107 HE3 TRP 11 3HE TRP 11 -5.572 -9.333 7.741 108 HZ2 TRP 11 2HZ TRP 11 -8.558 -13.024 9.264 109 HZ3 TRP 11 3HZ TRP 11 -8.017 -9.165 7.524 110 HH2 TRP 11 2HH TRP 11 -9.477 -10.974 8.271 111 H ASN 12 H ASN 12 -1.491 -11.608 5.893 112 HA ASN 12 HA ASN 12 0.865 -9.999 6.410 113 HB2 ASN 12 1HB ASN 12 0.334 -12.633 5.090 114 HB3 ASN 12 2HB ASN 12 1.839 -11.787 4.740 115 HD21 ASN 12 2HD2 ASN 12 -0.175 -12.754 7.491 116 HD22 ASN 12 1HD2 ASN 12 1.142 -13.181 8.525 117 H TRP 13 H TRP 13 -1.517 -10.382 3.945 118 HA TRP 13 HA TRP 13 0.086 -9.129 1.884 119 HB2 TRP 13 2HB TRP 13 -1.451 -10.800 1.131 120 HB3 TRP 13 3HB TRP 13 -2.793 -10.038 1.981 121 HD1 TRP 13 1HD TRP 13 -0.281 -8.805 -0.730 122 HE1 TRP 13 1HE TRP 13 -1.628 -7.550 -2.528 123 HE3 TRP 13 3HE TRP 13 -4.962 -9.310 1.263 124 HZ2 TRP 13 2HZ TRP 13 -4.319 -6.864 -3.035 125 HZ3 TRP 13 3HZ TRP 13 -6.868 -8.325 0.058 126 HH2 TRP 13 2HH TRP 13 -6.551 -7.127 -2.046 127 H PHE 14 H PHE 14 -2.960 -8.322 3.559 128 HA PHE 14 HA PHE 14 -3.240 -5.737 2.578 129 HB2 PHE 14 2HB PHE 14 -5.043 -6.832 3.769 130 HB3 PHE 14 3HB PHE 14 -4.088 -6.876 5.247 131 HD1 PHE 14 2HD PHE 14 -4.638 -4.113 2.819 132 HD2 PHE 14 1HD PHE 14 -5.212 -5.564 6.779 133 HE1 PHE 14 2HE PHE 14 -5.568 -1.932 3.479 134 HE2 PHE 14 1HE PHE 14 -6.143 -3.387 7.445 135 HZ PHE 14 HZ PHE 14 -6.322 -1.567 5.795 136 H ASP 15 H ASP 15 -1.110 -6.981 5.003 137 HA ASP 15 HA ASP 15 -0.524 -4.492 6.272 138 HB2 ASP 15 1HB ASP 15 0.467 -7.265 6.410 139 HB3 ASP 15 2HB ASP 15 1.667 -6.031 6.782 140 H ILE 16 H ILE 16 0.612 -6.121 3.432 141 HA ILE 16 HA ILE 16 2.999 -4.507 3.186 142 HB ILE 16 HB ILE 16 1.730 -6.403 1.207 143 HG12 ILE 16 1HG1 ILE 16 4.213 -6.888 2.841 144 HG13 ILE 16 2HG1 ILE 16 2.616 -7.302 3.455 145 HG21 ILE 16 1HG2 ILE 16 4.358 -6.263 0.546 146 HG22 ILE 16 2HG2 ILE 16 3.080 -5.325 -0.228 147 HG23 ILE 16 3HG2 ILE 16 4.044 -4.605 1.062 148 HD11 ILE 16 3HD1 ILE 16 2.314 -8.678 1.362 149 HD12 ILE 16 1HD1 ILE 16 4.035 -8.435 1.069 150 HD13 ILE 16 2HD1 ILE 16 3.497 -9.270 2.527 151 H THR 17 H THR 17 -0.219 -4.655 1.752 152 HA THR 17 HA THR 17 0.343 -2.471 -0.067 153 HB THR 17 HB THR 17 -1.168 -4.311 -0.744 154 HG1 THR 17 1HG THR 17 -2.704 -2.924 -1.669 155 HG21 THR 17 3HG2 THR 17 -2.202 -4.267 1.705 156 HG22 THR 17 1HG2 THR 17 -3.127 -4.832 0.313 157 HG23 THR 17 2HG2 THR 17 -3.362 -3.194 0.921 158 H ASN 18 H ASN 18 -0.749 -2.847 3.138 159 HA ASN 18 HA ASN 18 -2.555 -0.797 3.510 160 HB2 ASN 18 1HB ASN 18 -0.849 -2.401 5.167 161 HB3 ASN 18 2HB ASN 18 -0.795 -0.733 5.731 162 HD21 ASN 18 2HD2 ASN 18 -3.179 0.260 5.501 163 HD22 ASN 18 1HD2 ASN 18 -4.373 -0.669 6.334 164 H TRP 19 H TRP 19 0.988 -0.563 3.861 165 HA TRP 19 HA TRP 19 0.859 2.321 3.950 166 HB2 TRP 19 2HB TRP 19 3.165 2.274 4.438 167 HB3 TRP 19 3HB TRP 19 2.512 0.845 5.235 168 HD1 TRP 19 1HD TRP 19 2.648 -1.434 3.363 169 HE1 TRP 19 1HE TRP 19 4.789 -2.203 2.161 170 HE3 TRP 19 3HE TRP 19 5.352 2.894 3.671 171 HZ2 TRP 19 2HZ TRP 19 7.294 -1.119 1.438 172 HZ3 TRP 19 3HZ TRP 19 7.613 2.943 2.701 173 HH2 TRP 19 2HH TRP 19 8.562 0.977 1.608 174 H LEU 20 H LEU 20 1.584 -0.168 1.615 175 HA LEU 20 HA LEU 20 2.967 1.297 -0.301 176 HB2 LEU 20 1HB LEU 20 2.396 -1.211 -0.205 177 HB3 LEU 20 2HB LEU 20 0.904 -0.755 -1.026 178 HG LEU 20 HG LEU 20 2.448 0.305 -2.793 179 HD11 LEU 20 1HD1 LEU 20 4.461 -1.717 -2.020 180 HD12 LEU 20 2HD1 LEU 20 4.428 -0.225 -1.079 181 HD13 LEU 20 3HD1 LEU 20 4.661 -0.161 -2.826 182 HD21 LEU 20 3HD2 LEU 20 2.628 -1.810 -3.976 183 HD22 LEU 20 1HD2 LEU 20 1.078 -1.700 -3.142 184 HD23 LEU 20 2HD2 LEU 20 2.370 -2.694 -2.471 185 H TRP 21 H TRP 21 -0.361 1.409 0.613 186 HA TRP 21 HA TRP 21 -1.509 2.449 -1.719 187 HB2 TRP 21 2HB TRP 21 -2.808 1.645 0.227 188 HB3 TRP 21 3HB TRP 21 -2.271 3.046 1.149 189 HD1 TRP 21 1HD TRP 21 -4.896 1.938 -1.287 190 HE1 TRP 21 1HE TRP 21 -6.458 3.907 -1.839 191 HE3 TRP 21 3HE TRP 21 -2.196 5.731 0.824 192 HZ2 TRP 21 2HZ TRP 21 -6.535 6.700 -1.434 193 HZ3 TRP 21 3HZ TRP 21 -3.084 8.023 0.698 194 HH2 TRP 21 2HH TRP 21 -5.209 8.495 -0.409 195 H TYR 22 H TYR 22 0.161 4.043 0.953 196 HA TYR 22 HA TYR 22 -0.372 6.695 0.103 197 HB2 TYR 22 2HB TYR 22 0.799 5.511 2.326 198 HB3 TYR 22 3HB TYR 22 2.126 6.385 1.569 199 HD1 TYR 22 2HD TYR 22 0.611 8.705 0.440 200 HD2 TYR 22 1HD TYR 22 0.377 6.803 4.239 201 HE1 TYR 22 2HE TYR 22 -0.201 10.803 1.434 202 HE2 TYR 22 1HE TYR 22 -0.435 8.895 5.244 203 HH TYR 22 HH TYR 22 -1.097 11.748 3.261 204 H ILE 23 H ILE 23 2.249 4.422 -0.517 205 HA ILE 23 HA ILE 23 4.121 6.063 -1.699 206 HB ILE 23 HB ILE 23 3.368 3.207 -2.186 207 HG12 ILE 23 1HG1 ILE 23 5.711 2.882 -1.348 208 HG13 ILE 23 2HG1 ILE 23 5.810 4.621 -1.098 209 HG21 ILE 23 1HG2 ILE 23 5.436 3.084 -3.646 210 HG22 ILE 23 2HG2 ILE 23 4.010 3.829 -4.366 211 HG23 ILE 23 3HG2 ILE 23 5.329 4.839 -3.774 212 HD11 ILE 23 3HD1 ILE 23 4.428 4.577 0.711 213 HD12 ILE 23 1HD1 ILE 23 3.559 3.148 0.155 214 HD13 ILE 23 2HD1 ILE 23 5.172 2.984 0.852 215 H LYS 24 H LYS 24 1.457 4.353 -3.338 216 HA LYS 24 HA LYS 24 1.886 5.271 -5.911 217 HB2 LYS 24 1HB LYS 24 -0.436 4.239 -4.402 218 HB3 LYS 24 2HB LYS 24 -0.820 5.158 -5.852 219 HG2 LYS 24 1HG LYS 24 0.386 3.657 -7.231 220 HG3 LYS 24 2HG LYS 24 1.110 2.854 -5.836 221 HD2 LYS 24 1HD LYS 24 -1.849 2.904 -5.981 222 HD3 LYS 24 2HD LYS 24 -1.006 1.870 -7.135 223 HE2 LYS 24 1HE LYS 24 -0.088 0.542 -5.467 224 HE3 LYS 24 2HE LYS 24 -0.295 1.782 -4.230 225 HZ1 LYS 24 3HZ LYS 24 -2.642 1.399 -4.220 226 HZ2 LYS 24 1HZ LYS 24 -1.865 -0.091 -4.027 227 HZ3 LYS 24 2HZ LYS 24 -2.534 0.324 -5.523 228 H LEU 25 H LEU 25 0.434 6.904 -3.184 229 HA LEU 25 HA LEU 25 -0.618 9.084 -4.728 230 HB2 LEU 25 1HB LEU 25 -0.434 8.360 -1.867 231 HB3 LEU 25 2HB LEU 25 -0.549 10.079 -2.239 232 HG LEU 25 HG LEU 25 -2.728 9.040 -1.718 233 HD11 LEU 25 1HD1 LEU 25 -3.939 10.013 -3.568 234 HD12 LEU 25 2HD1 LEU 25 -2.491 9.976 -4.573 235 HD13 LEU 25 3HD1 LEU 25 -2.556 11.029 -3.160 236 HD21 LEU 25 3HD2 LEU 25 -2.642 7.636 -4.352 237 HD22 LEU 25 1HD2 LEU 25 -3.673 7.341 -2.953 238 HD23 LEU 25 2HD2 LEU 25 -1.979 6.850 -2.918 239 H PHE 26 H PHE 26 2.362 8.370 -3.065 240 HA PHE 26 HA PHE 26 3.362 11.029 -2.982 241 HB2 PHE 26 2HB PHE 26 4.325 9.435 -1.487 242 HB3 PHE 26 3HB PHE 26 4.711 8.335 -2.806 243 HD1 PHE 26 1HD PHE 26 5.299 11.994 -2.492 244 HD2 PHE 26 2HD PHE 26 7.012 8.109 -2.782 245 HE1 PHE 26 1HE PHE 26 7.539 12.998 -2.666 246 HE2 PHE 26 2HE PHE 26 9.254 9.106 -2.955 247 HZ PHE 26 HZ PHE 26 9.520 11.554 -2.897 248 H ILE 27 H ILE 27 3.436 8.462 -5.357 249 HA ILE 27 HA ILE 27 5.467 9.478 -7.017 250 HB ILE 27 HB ILE 27 3.063 7.851 -7.850 251 HG12 ILE 27 1HG1 ILE 27 5.815 6.881 -7.053 252 HG13 ILE 27 2HG1 ILE 27 4.418 6.864 -5.981 253 HG21 ILE 27 1HG2 ILE 27 4.217 8.855 -9.736 254 HG22 ILE 27 2HG2 ILE 27 5.758 8.228 -9.150 255 HG23 ILE 27 3HG2 ILE 27 4.504 7.115 -9.698 256 HD11 ILE 27 3HD1 ILE 27 3.669 5.596 -8.396 257 HD12 ILE 27 1HD1 ILE 27 5.218 4.928 -7.883 258 HD13 ILE 27 2HD1 ILE 27 3.837 4.896 -6.787 259 H MET 28 H MET 28 2.068 10.247 -6.720 260 HA MET 28 HA MET 28 2.061 11.869 -9.124 261 HB2 MET 28 1HB MET 28 -0.068 11.577 -6.997 262 HB3 MET 28 2HB MET 28 -0.271 12.317 -8.580 263 HG2 MET 28 1HG MET 28 0.481 10.000 -9.472 264 HG3 MET 28 2HG MET 28 0.032 9.438 -7.864 265 HE1 MET 28 3HE MET 28 -3.754 10.100 -7.667 266 HE2 MET 28 1HE MET 28 -2.436 9.102 -7.049 267 HE3 MET 28 2HE MET 28 -2.356 10.858 -6.904 268 H ILE 29 H ILE 29 1.619 12.431 -5.631 269 HA ILE 29 HA ILE 29 1.414 15.180 -5.647 270 HB ILE 29 HB ILE 29 2.818 13.482 -3.582 271 HG12 ILE 29 1HG1 ILE 29 0.021 14.544 -3.362 272 HG13 ILE 29 2HG1 ILE 29 0.329 13.060 -4.260 273 HG21 ILE 29 1HG2 ILE 29 1.819 16.318 -3.510 274 HG22 ILE 29 2HG2 ILE 29 2.152 15.381 -2.055 275 HG23 ILE 29 3HG2 ILE 29 3.451 15.729 -3.195 276 HD11 ILE 29 3HD1 ILE 29 -0.174 12.247 -2.181 277 HD12 ILE 29 1HD1 ILE 29 1.584 12.351 -2.090 278 HD13 ILE 29 2HD1 ILE 29 0.588 13.601 -1.345 279 H VAL 30 H VAL 30 4.366 13.210 -5.541 280 HA VAL 30 HA VAL 30 6.208 15.309 -5.322 281 HB VAL 30 HB VAL 30 6.747 12.894 -5.004 282 HG11 VAL 30 1HG1 VAL 30 5.548 12.157 -7.086 283 HG12 VAL 30 2HG1 VAL 30 6.920 12.774 -8.009 284 HG13 VAL 30 3HG1 VAL 30 7.150 11.459 -6.857 285 HG21 VAL 30 3HG2 VAL 30 8.816 13.431 -6.887 286 HG22 VAL 30 1HG2 VAL 30 8.334 14.949 -6.128 287 HG23 VAL 30 2HG2 VAL 30 8.852 13.590 -5.132 288 H GLY 31 H GLY 31 4.422 14.092 -8.046 289 HA2 GLY 31 1HA GLY 31 6.091 15.321 -10.042 290 HA3 GLY 31 2HA GLY 31 4.512 14.596 -10.303 291 H LYS 32 H LYS 32 3.478 16.364 -8.048 292 HA LYS 32 HA LYS 32 2.334 18.364 -9.611 293 HB2 LYS 32 1HB LYS 32 2.753 18.219 -6.623 294 HB3 LYS 32 2HB LYS 32 1.777 19.453 -7.409 295 HG2 LYS 32 1HG LYS 32 0.519 17.431 -8.443 296 HG3 LYS 32 2HG LYS 32 1.254 16.529 -7.116 297 HD2 LYS 32 1HD LYS 32 0.311 18.282 -5.564 298 HD3 LYS 32 2HD LYS 32 -0.607 18.892 -6.943 299 HE2 LYS 32 1HE LYS 32 -2.015 17.111 -6.965 300 HE3 LYS 32 2HE LYS 32 -0.778 15.988 -6.403 301 HZ1 LYS 32 3HZ LYS 32 -1.456 17.934 -4.422 302 HZ2 LYS 32 1HZ LYS 32 -1.431 16.246 -4.309 303 HZ3 LYS 32 2HZ LYS 32 -2.804 17.032 -4.905 304 H LYS 33 H LYS 33 4.825 18.825 -7.094 305 HA LYS 33 HA LYS 33 5.558 21.368 -8.331 306 HB2 LYS 33 1HB LYS 33 6.449 20.103 -5.732 307 HB3 LYS 33 2HB LYS 33 6.925 21.700 -6.293 308 HG2 LYS 33 1HG LYS 33 4.144 21.708 -6.400 309 HG3 LYS 33 2HG LYS 33 4.546 20.877 -4.895 310 HD2 LYS 33 1HD LYS 33 4.759 22.928 -4.023 311 HD3 LYS 33 2HD LYS 33 6.292 22.995 -4.895 312 HE2 LYS 33 1HE LYS 33 3.644 23.900 -6.020 313 HE3 LYS 33 2HE LYS 33 4.825 24.972 -5.267 314 HZ1 LYS 33 3HZ LYS 33 5.200 25.100 -7.568 315 HZ2 LYS 33 1HZ LYS 33 5.113 23.422 -7.773 316 HZ3 LYS 33 2HZ LYS 33 6.438 24.109 -6.977 317 H LYS 34 H LYS 34 7.402 18.665 -6.905 318 HA LYS 34 HA LYS 34 9.430 17.773 -7.440 319 HB2 LYS 34 1HB LYS 34 7.771 17.645 -9.699 320 HB3 LYS 34 2HB LYS 34 9.335 18.176 -10.302 321 HG2 LYS 34 1HG LYS 34 10.408 16.238 -9.590 322 HG3 LYS 34 2HG LYS 34 9.111 15.820 -8.468 323 HD2 LYS 34 1HD LYS 34 8.232 14.519 -10.042 324 HD3 LYS 34 2HD LYS 34 7.937 15.958 -11.021 325 HE2 LYS 34 1HE LYS 34 9.296 14.998 -12.517 326 HE3 LYS 34 2HE LYS 34 10.603 15.497 -11.443 327 HZ1 LYS 34 3HZ LYS 34 11.027 13.274 -11.691 328 HZ2 LYS 34 1HZ LYS 34 9.393 12.842 -11.785 329 HZ3 LYS 34 2HZ LYS 34 10.076 13.246 -10.292 330 H LYS 35 H LYS 35 11.317 18.229 -9.335 331 HA LYS 35 HA LYS 35 12.019 21.060 -8.914 332 HB2 LYS 35 1HB LYS 35 13.525 18.572 -8.508 333 HB3 LYS 35 2HB LYS 35 14.407 19.801 -9.403 334 HG2 LYS 35 1HG LYS 35 13.442 21.297 -7.389 335 HG3 LYS 35 2HG LYS 35 13.588 19.737 -6.578 336 HD2 LYS 35 1HD LYS 35 15.705 20.444 -6.221 337 HD3 LYS 35 2HD LYS 35 15.955 19.817 -7.852 338 HE2 LYS 35 1HE LYS 35 16.552 21.844 -8.534 339 HE3 LYS 35 2HE LYS 35 14.965 22.464 -8.083 340 HZ1 LYS 35 3HZ LYS 35 17.472 22.493 -6.540 341 HZ2 LYS 35 1HZ LYS 35 15.987 22.536 -5.729 342 HZ3 LYS 35 2HZ LYS 35 16.383 23.754 -6.834 343 H LYS 36 H LYS 36 12.799 22.240 -10.612 344 HA LYS 36 HA LYS 36 12.655 20.941 -13.248 345 HB2 LYS 36 1HB LYS 36 12.391 23.339 -14.072 346 HB3 LYS 36 2HB LYS 36 11.041 22.658 -13.174 347 HG2 LYS 36 1HG LYS 36 11.808 23.828 -11.159 348 HG3 LYS 36 2HG LYS 36 13.130 24.536 -12.088 349 HD2 LYS 36 1HD LYS 36 11.290 26.113 -11.884 350 HD3 LYS 36 2HD LYS 36 11.496 25.621 -13.566 351 HE2 LYS 36 1HE LYS 36 9.519 24.503 -13.622 352 HE3 LYS 36 2HE LYS 36 9.614 24.031 -11.925 353 HZ1 LYS 36 3HZ LYS 36 8.978 26.249 -11.282 354 HZ2 LYS 36 1HZ LYS 36 7.829 25.629 -12.358 355 HZ3 LYS 36 2HZ LYS 36 8.964 26.762 -12.894 Start of MODEL 17 1 H1 LYS 1 H LYS 1 0.482 -29.460 7.512 2 HA LYS 1 HA LYS 1 2.281 -30.847 5.695 3 HB2 LYS 1 1HB LYS 1 0.515 -31.284 4.044 4 HB3 LYS 1 2HB LYS 1 0.238 -32.170 5.539 5 HG2 LYS 1 1HG LYS 1 -1.159 -29.874 5.987 6 HG3 LYS 1 2HG LYS 1 -1.373 -30.101 4.249 7 HD2 LYS 1 1HD LYS 1 -1.857 -32.269 6.285 8 HD3 LYS 1 2HD LYS 1 -3.120 -31.185 5.700 9 HE2 LYS 1 1HE LYS 1 -3.370 -32.374 3.835 10 HE3 LYS 1 2HE LYS 1 -1.641 -32.319 3.501 11 HZ1 LYS 1 3HZ LYS 1 -1.307 -34.220 4.906 12 HZ2 LYS 1 1HZ LYS 1 -2.503 -34.591 3.768 13 HZ3 LYS 1 2HZ LYS 1 -2.936 -34.236 5.363 14 H LYS 2 H LYS 2 2.461 -28.265 6.679 15 HA LYS 2 HA LYS 2 2.672 -26.081 6.065 16 HB2 LYS 2 1HB LYS 2 2.874 -27.454 3.384 17 HB3 LYS 2 2HB LYS 2 3.164 -25.733 3.602 18 HG2 LYS 2 1HG LYS 2 5.228 -26.090 4.331 19 HG3 LYS 2 2HG LYS 2 4.682 -27.301 5.493 20 HD2 LYS 2 1HD LYS 2 4.678 -28.998 3.746 21 HD3 LYS 2 2HD LYS 2 5.164 -27.790 2.553 22 HE2 LYS 2 1HE LYS 2 7.283 -27.501 3.590 23 HE3 LYS 2 2HE LYS 2 6.791 -28.433 5.003 24 HZ1 LYS 2 3HZ LYS 2 6.425 -30.106 2.848 25 HZ2 LYS 2 1HZ LYS 2 7.660 -30.192 4.001 26 HZ3 LYS 2 2HZ LYS 2 7.909 -29.345 2.558 27 H LYS 3 H LYS 3 0.054 -26.782 6.544 28 HA LYS 3 HA LYS 3 -1.810 -26.253 4.554 29 HB2 LYS 3 1HB LYS 3 -3.349 -25.653 6.394 30 HB3 LYS 3 2HB LYS 3 -2.471 -27.143 6.708 31 HG2 LYS 3 1HG LYS 3 -0.906 -25.882 8.138 32 HG3 LYS 3 2HG LYS 3 -1.877 -24.431 7.874 33 HD2 LYS 3 1HD LYS 3 -2.566 -25.341 9.955 34 HD3 LYS 3 2HD LYS 3 -3.841 -25.719 8.793 35 HE2 LYS 3 1HE LYS 3 -3.217 -27.970 8.670 36 HE3 LYS 3 2HE LYS 3 -1.627 -27.661 9.368 37 HZ1 LYS 3 3HZ LYS 3 -2.915 -26.989 11.441 38 HZ2 LYS 3 1HZ LYS 3 -2.841 -28.640 11.077 39 HZ3 LYS 3 2HZ LYS 3 -4.244 -27.759 10.735 40 H LYS 4 H LYS 4 -3.146 -24.339 4.227 41 HA LYS 4 HA LYS 4 -2.065 -21.782 5.046 42 HB2 LYS 4 1HB LYS 4 -1.626 -20.932 2.855 43 HB3 LYS 4 2HB LYS 4 -0.743 -22.444 3.018 44 HG2 LYS 4 1HG LYS 4 -2.715 -23.543 1.851 45 HG3 LYS 4 2HG LYS 4 -3.244 -21.907 1.451 46 HD2 LYS 4 1HD LYS 4 -1.131 -21.489 0.310 47 HD3 LYS 4 2HD LYS 4 -0.563 -23.104 0.743 48 HE2 LYS 4 1HE LYS 4 -1.398 -22.960 -1.579 49 HE3 LYS 4 2HE LYS 4 -2.291 -24.118 -0.596 50 HZ1 LYS 4 3HZ LYS 4 -3.580 -22.486 -2.089 51 HZ2 LYS 4 1HZ LYS 4 -3.268 -21.354 -0.872 52 HZ3 LYS 4 2HZ LYS 4 -4.135 -22.760 -0.514 53 H ASP 5 H ASP 5 -3.457 -19.985 4.453 54 HA ASP 5 HA ASP 5 -6.104 -20.675 3.446 55 HB2 ASP 5 1HB ASP 5 -5.540 -20.342 6.236 56 HB3 ASP 5 2HB ASP 5 -6.563 -19.012 5.697 57 H LYS 6 H LYS 6 -7.341 -18.860 2.772 58 HA LYS 6 HA LYS 6 -5.780 -16.756 1.675 59 HB2 LYS 6 1HB LYS 6 -7.712 -17.475 0.467 60 HB3 LYS 6 2HB LYS 6 -8.758 -17.206 1.855 61 HG2 LYS 6 1HG LYS 6 -7.379 -14.785 1.114 62 HG3 LYS 6 2HG LYS 6 -8.274 -15.459 -0.249 63 HD2 LYS 6 1HD LYS 6 -9.609 -15.302 2.411 64 HD3 LYS 6 2HD LYS 6 -9.428 -13.824 1.463 65 HE2 LYS 6 1HE LYS 6 -10.437 -16.187 0.010 66 HE3 LYS 6 2HE LYS 6 -11.515 -15.512 1.228 67 HZ1 LYS 6 3HZ LYS 6 -11.628 -13.490 0.123 68 HZ2 LYS 6 1HZ LYS 6 -11.661 -14.613 -1.142 69 HZ3 LYS 6 2HZ LYS 6 -10.232 -13.781 -0.788 70 H TRP 7 H TRP 7 -8.271 -16.808 4.218 71 HA TRP 7 HA TRP 7 -8.177 -14.106 4.889 72 HB2 TRP 7 2HB TRP 7 -8.792 -16.510 6.618 73 HB3 TRP 7 3HB TRP 7 -9.072 -14.842 7.111 74 HD1 TRP 7 1HD TRP 7 -10.948 -17.617 5.838 75 HE1 TRP 7 1HE TRP 7 -13.074 -16.870 4.595 76 HE3 TRP 7 3HE TRP 7 -9.800 -12.682 5.162 77 HZ2 TRP 7 2HZ TRP 7 -14.125 -14.502 3.475 78 HZ3 TRP 7 3HZ TRP 7 -11.419 -11.244 3.994 79 HH2 TRP 7 2HH TRP 7 -13.536 -12.137 3.169 80 H ALA 8 H ALA 8 -6.346 -16.830 6.255 81 HA ALA 8 HA ALA 8 -4.939 -15.453 8.214 82 HB1 ALA 8 3HB ALA 8 -3.389 -17.272 8.215 83 HB2 ALA 8 1HB ALA 8 -4.998 -17.927 7.907 84 HB3 ALA 8 2HB ALA 8 -3.854 -17.738 6.578 85 H SER 9 H SER 9 -4.280 -15.785 4.767 86 HA SER 9 HA SER 9 -1.720 -14.514 4.883 87 HB2 SER 9 1HB SER 9 -3.180 -15.949 2.959 88 HB3 SER 9 2HB SER 9 -2.967 -14.337 2.278 89 HG SER 9 HG SER 9 -1.186 -15.559 1.735 90 H LEU 10 H LEU 10 -5.002 -13.437 4.583 91 HA LEU 10 HA LEU 10 -4.712 -10.970 3.365 92 HB2 LEU 10 1HB LEU 10 -6.825 -12.171 4.177 93 HB3 LEU 10 2HB LEU 10 -6.511 -11.397 5.728 94 HG LEU 10 HG LEU 10 -6.790 -9.794 3.203 95 HD11 LEU 10 1HD1 LEU 10 -9.064 -9.752 3.314 96 HD12 LEU 10 2HD1 LEU 10 -9.101 -10.120 5.038 97 HD13 LEU 10 3HD1 LEU 10 -8.782 -11.402 3.869 98 HD21 LEU 10 3HD2 LEU 10 -6.255 -9.228 5.946 99 HD22 LEU 10 1HD2 LEU 10 -7.815 -8.530 5.511 100 HD23 LEU 10 2HD2 LEU 10 -6.374 -8.112 4.586 101 H TRP 11 H TRP 11 -3.827 -11.973 6.579 102 HA TRP 11 HA TRP 11 -3.499 -9.339 7.643 103 HB2 TRP 11 2HB TRP 11 -2.092 -11.771 8.711 104 HB3 TRP 11 3HB TRP 11 -2.707 -10.375 9.590 105 HD1 TRP 11 1HD TRP 11 -3.421 -13.676 9.867 106 HE1 TRP 11 1HE TRP 11 -5.919 -14.257 10.085 107 HE3 TRP 11 3HE TRP 11 -5.423 -9.346 8.030 108 HZ2 TRP 11 2HZ TRP 11 -8.408 -13.039 9.549 109 HZ3 TRP 11 3HZ TRP 11 -7.872 -9.135 7.916 110 HH2 TRP 11 2HH TRP 11 -9.332 -10.944 8.660 111 H ASN 12 H ASN 12 -1.455 -11.619 5.950 112 HA ASN 12 HA ASN 12 0.944 -10.064 6.426 113 HB2 ASN 12 1HB ASN 12 0.359 -12.598 4.906 114 HB3 ASN 12 2HB ASN 12 1.918 -11.787 4.776 115 HD21 ASN 12 2HD2 ASN 12 -0.365 -13.074 7.149 116 HD22 ASN 12 1HD2 ASN 12 0.835 -13.598 8.278 117 H TRP 13 H TRP 13 -1.542 -10.325 4.049 118 HA TRP 13 HA TRP 13 0.004 -9.025 1.970 119 HB2 TRP 13 2HB TRP 13 -1.575 -10.658 1.218 120 HB3 TRP 13 3HB TRP 13 -2.879 -9.911 2.139 121 HD1 TRP 13 1HD TRP 13 -0.447 -8.601 -0.609 122 HE1 TRP 13 1HE TRP 13 -1.844 -7.282 -2.322 123 HE3 TRP 13 3HE TRP 13 -5.068 -9.161 1.506 124 HZ2 TRP 13 2HZ TRP 13 -4.547 -6.573 -2.723 125 HZ3 TRP 13 3HZ TRP 13 -7.007 -8.131 0.395 126 HH2 TRP 13 2HH TRP 13 -6.749 -6.864 -1.675 127 H PHE 14 H PHE 14 -2.955 -8.248 3.806 128 HA PHE 14 HA PHE 14 -3.266 -5.636 2.913 129 HB2 PHE 14 2HB PHE 14 -5.038 -6.691 4.139 130 HB3 PHE 14 3HB PHE 14 -4.008 -6.906 5.551 131 HD1 PHE 14 1HD PHE 14 -5.914 -4.483 3.561 132 HD2 PHE 14 2HD PHE 14 -3.625 -5.120 7.092 133 HE1 PHE 14 1HE PHE 14 -6.704 -2.332 4.457 134 HE2 PHE 14 2HE PHE 14 -4.412 -2.971 7.994 135 HZ PHE 14 HZ PHE 14 -5.954 -1.573 6.676 136 H ASP 15 H ASP 15 -1.032 -6.961 5.200 137 HA ASP 15 HA ASP 15 -0.362 -4.498 6.487 138 HB2 ASP 15 1HB ASP 15 -0.000 -6.807 7.449 139 HB3 ASP 15 2HB ASP 15 1.343 -6.986 6.324 140 H ILE 16 H ILE 16 0.627 -6.105 3.582 141 HA ILE 16 HA ILE 16 3.025 -4.511 3.265 142 HB ILE 16 HB ILE 16 1.690 -6.411 1.334 143 HG12 ILE 16 1HG1 ILE 16 4.225 -6.897 2.884 144 HG13 ILE 16 2HG1 ILE 16 2.649 -7.300 3.557 145 HG21 ILE 16 1HG2 ILE 16 2.996 -4.936 0.046 146 HG22 ILE 16 2HG2 ILE 16 4.298 -4.924 1.233 147 HG23 ILE 16 3HG2 ILE 16 3.994 -6.371 0.270 148 HD11 ILE 16 3HD1 ILE 16 2.352 -8.583 1.302 149 HD12 ILE 16 1HD1 ILE 16 4.116 -8.536 1.287 150 HD13 ILE 16 2HD1 ILE 16 3.264 -9.296 2.633 151 H THR 17 H THR 17 -0.246 -4.635 1.969 152 HA THR 17 HA THR 17 0.258 -2.479 0.103 153 HB THR 17 HB THR 17 -1.318 -4.335 -0.442 154 HG1 THR 17 1HG THR 17 -2.885 -2.911 -1.335 155 HG21 THR 17 3HG2 THR 17 -2.283 -4.111 2.032 156 HG22 THR 17 1HG2 THR 17 -3.251 -4.737 0.699 157 HG23 THR 17 2HG2 THR 17 -3.431 -3.058 1.207 158 H ASN 18 H ASN 18 -0.688 -2.807 3.359 159 HA ASN 18 HA ASN 18 -2.446 -0.726 3.791 160 HB2 ASN 18 1HB ASN 18 -1.980 -2.081 5.650 161 HB3 ASN 18 2HB ASN 18 -0.240 -1.881 5.476 162 HD21 ASN 18 2HD2 ASN 18 0.100 -1.181 7.545 163 HD22 ASN 18 1HD2 ASN 18 -0.448 0.351 8.127 164 H TRP 19 H TRP 19 1.112 -0.543 3.978 165 HA TRP 19 HA TRP 19 1.028 2.344 4.042 166 HB2 TRP 19 2HB TRP 19 3.354 2.267 4.426 167 HB3 TRP 19 3HB TRP 19 2.717 0.855 5.265 168 HD1 TRP 19 1HD TRP 19 2.734 -1.441 3.411 169 HE1 TRP 19 1HE TRP 19 4.808 -2.255 2.121 170 HE3 TRP 19 3HE TRP 19 5.514 2.847 3.557 171 HZ2 TRP 19 2HZ TRP 19 7.293 -1.216 1.277 172 HZ3 TRP 19 3HZ TRP 19 7.729 2.854 2.485 173 HH2 TRP 19 2HH TRP 19 8.599 0.863 1.369 174 H LEU 20 H LEU 20 1.604 -0.178 1.702 175 HA LEU 20 HA LEU 20 2.923 1.243 -0.291 176 HB2 LEU 20 1HB LEU 20 2.320 -1.251 -0.148 177 HB3 LEU 20 2HB LEU 20 0.792 -0.781 -0.890 178 HG LEU 20 HG LEU 20 2.179 0.199 -2.779 179 HD11 LEU 20 1HD1 LEU 20 4.384 0.242 -2.563 180 HD12 LEU 20 2HD1 LEU 20 4.397 -1.520 -2.542 181 HD13 LEU 20 3HD1 LEU 20 4.281 -0.623 -1.029 182 HD21 LEU 20 3HD2 LEU 20 2.642 -2.117 -3.728 183 HD22 LEU 20 1HD2 LEU 20 0.987 -1.775 -3.221 184 HD23 LEU 20 2HD2 LEU 20 2.041 -2.745 -2.191 185 H TRP 21 H TRP 21 -0.358 1.426 0.775 186 HA TRP 21 HA TRP 21 -1.593 2.464 -1.511 187 HB2 TRP 21 2HB TRP 21 -2.816 1.703 0.499 188 HB3 TRP 21 3HB TRP 21 -2.209 3.101 1.383 189 HD1 TRP 21 1HD TRP 21 -4.966 2.028 -0.919 190 HE1 TRP 21 1HE TRP 21 -6.513 4.025 -1.413 191 HE3 TRP 21 3HE TRP 21 -2.096 5.781 1.034 192 HZ2 TRP 21 2HZ TRP 21 -6.516 6.821 -1.026 193 HZ3 TRP 21 3HZ TRP 21 -2.943 8.088 0.931 194 HH2 TRP 21 2HH TRP 21 -5.107 8.596 -0.078 195 H TYR 22 H TYR 22 0.223 4.055 1.066 196 HA TYR 22 HA TYR 22 -0.300 6.707 0.212 197 HB2 TYR 22 2HB TYR 22 0.959 5.520 2.388 198 HB3 TYR 22 3HB TYR 22 2.258 6.372 1.562 199 HD1 TYR 22 1HD TYR 22 0.726 8.705 0.490 200 HD2 TYR 22 2HD TYR 22 0.640 6.830 4.309 201 HE1 TYR 22 1HE TYR 22 -0.011 10.820 1.505 202 HE2 TYR 22 2HE TYR 22 -0.098 8.939 5.334 203 HH TYR 22 HH TYR 22 -0.512 11.882 3.388 204 H ILE 23 H ILE 23 2.251 4.383 -0.503 205 HA ILE 23 HA ILE 23 4.092 5.979 -1.790 206 HB ILE 23 HB ILE 23 3.269 3.129 -2.210 207 HG12 ILE 23 1HG1 ILE 23 5.644 2.774 -1.477 208 HG13 ILE 23 2HG1 ILE 23 5.780 4.514 -1.248 209 HG21 ILE 23 1HG2 ILE 23 3.859 3.482 -4.393 210 HG22 ILE 23 2HG2 ILE 23 4.970 4.792 -3.998 211 HG23 ILE 23 3HG2 ILE 23 5.439 3.118 -3.699 212 HD11 ILE 23 3HD1 ILE 23 5.205 2.896 0.740 213 HD12 ILE 23 1HD1 ILE 23 4.489 4.504 0.625 214 HD13 ILE 23 2HD1 ILE 23 3.566 3.088 0.118 215 H LYS 24 H LYS 24 1.317 4.307 -3.276 216 HA LYS 24 HA LYS 24 1.643 5.185 -5.879 217 HB2 LYS 24 1HB LYS 24 -0.488 4.024 -4.293 218 HB3 LYS 24 2HB LYS 24 -1.121 5.171 -5.465 219 HG2 LYS 24 1HG LYS 24 -1.109 2.962 -6.416 220 HG3 LYS 24 2HG LYS 24 0.077 3.969 -7.250 221 HD2 LYS 24 1HD LYS 24 1.179 1.932 -6.902 222 HD3 LYS 24 2HD LYS 24 1.788 2.985 -5.622 223 HE2 LYS 24 1HE LYS 24 1.290 1.200 -4.326 224 HE3 LYS 24 2HE LYS 24 -0.321 1.916 -4.356 225 HZ1 LYS 24 3HZ LYS 24 -0.541 -0.375 -4.859 226 HZ2 LYS 24 1HZ LYS 24 0.684 -0.319 -6.025 227 HZ3 LYS 24 2HZ LYS 24 -0.789 0.463 -6.307 228 H LEU 25 H LEU 25 0.355 6.876 -3.104 229 HA LEU 25 HA LEU 25 -0.729 9.059 -4.623 230 HB2 LEU 25 1HB LEU 25 -0.422 8.365 -1.764 231 HB3 LEU 25 2HB LEU 25 -0.534 10.080 -2.155 232 HG LEU 25 HG LEU 25 -2.698 9.068 -1.516 233 HD11 LEU 25 1HD1 LEU 25 -2.615 11.045 -2.948 234 HD12 LEU 25 2HD1 LEU 25 -3.984 10.011 -3.356 235 HD13 LEU 25 3HD1 LEU 25 -2.545 10.011 -4.376 236 HD21 LEU 25 3HD2 LEU 25 -3.722 7.372 -2.697 237 HD22 LEU 25 1HD2 LEU 25 -2.034 6.861 -2.734 238 HD23 LEU 25 2HD2 LEU 25 -2.748 7.646 -4.143 239 H PHE 26 H PHE 26 2.317 8.292 -3.123 240 HA PHE 26 HA PHE 26 3.367 10.938 -3.106 241 HB2 PHE 26 2HB PHE 26 4.370 9.354 -1.633 242 HB3 PHE 26 3HB PHE 26 4.665 8.219 -2.947 243 HD1 PHE 26 1HD PHE 26 5.356 11.868 -2.719 244 HD2 PHE 26 2HD PHE 26 6.956 7.937 -3.048 245 HE1 PHE 26 1HE PHE 26 7.608 12.812 -3.022 246 HE2 PHE 26 2HE PHE 26 9.210 8.875 -3.350 247 HZ PHE 26 HZ PHE 26 9.539 11.316 -3.337 248 H ILE 27 H ILE 27 3.291 8.336 -5.443 249 HA ILE 27 HA ILE 27 5.264 9.281 -7.208 250 HB ILE 27 HB ILE 27 2.780 7.710 -7.906 251 HG12 ILE 27 1HG1 ILE 27 5.546 6.692 -7.227 252 HG13 ILE 27 2HG1 ILE 27 4.191 6.696 -6.105 253 HG21 ILE 27 1HG2 ILE 27 4.120 6.916 -9.814 254 HG22 ILE 27 2HG2 ILE 27 3.841 8.655 -9.864 255 HG23 ILE 27 3HG2 ILE 27 5.408 8.029 -9.350 256 HD11 ILE 27 3HD1 ILE 27 4.326 5.199 -8.711 257 HD12 ILE 27 1HD1 ILE 27 4.499 4.508 -7.099 258 HD13 ILE 27 2HD1 ILE 27 2.958 5.208 -7.597 259 H MET 28 H MET 28 1.930 10.191 -6.728 260 HA MET 28 HA MET 28 1.826 11.755 -9.166 261 HB2 MET 28 1HB MET 28 -0.155 11.564 -6.890 262 HB3 MET 28 2HB MET 28 -0.440 12.345 -8.439 263 HG2 MET 28 1HG MET 28 0.129 10.017 -9.428 264 HG3 MET 28 2HG MET 28 -0.220 9.440 -7.800 265 HE1 MET 28 3HE MET 28 -3.753 10.397 -7.111 266 HE2 MET 28 1HE MET 28 -3.120 8.761 -7.288 267 HE3 MET 28 2HE MET 28 -2.136 10.007 -6.521 268 H ILE 29 H ILE 29 1.565 12.447 -5.675 269 HA ILE 29 HA ILE 29 1.532 15.202 -5.786 270 HB ILE 29 HB ILE 29 2.879 13.485 -3.698 271 HG12 ILE 29 1HG1 ILE 29 0.214 14.750 -3.299 272 HG13 ILE 29 2HG1 ILE 29 0.292 13.344 -4.354 273 HG21 ILE 29 1HG2 ILE 29 1.891 15.804 -2.517 274 HG22 ILE 29 2HG2 ILE 29 3.582 15.402 -2.817 275 HG23 ILE 29 3HG2 ILE 29 2.678 16.348 -3.999 276 HD11 ILE 29 3HD1 ILE 29 0.748 13.554 -1.431 277 HD12 ILE 29 1HD1 ILE 29 -0.134 12.340 -2.358 278 HD13 ILE 29 2HD1 ILE 29 1.630 12.325 -2.336 279 H VAL 30 H VAL 30 4.351 13.048 -5.705 280 HA VAL 30 HA VAL 30 6.363 14.953 -5.543 281 HB VAL 30 HB VAL 30 6.701 12.486 -5.397 282 HG11 VAL 30 1HG1 VAL 30 7.099 12.211 -8.290 283 HG12 VAL 30 2HG1 VAL 30 6.410 11.080 -7.125 284 HG13 VAL 30 3HG1 VAL 30 5.417 12.377 -7.790 285 HG21 VAL 30 3HG2 VAL 30 8.911 12.656 -5.937 286 HG22 VAL 30 1HG2 VAL 30 8.584 13.413 -7.497 287 HG23 VAL 30 2HG2 VAL 30 8.473 14.362 -6.014 288 H GLY 31 H GLY 31 4.337 14.073 -8.226 289 HA2 GLY 31 1HA GLY 31 6.015 15.325 -10.216 290 HA3 GLY 31 2HA GLY 31 4.401 14.676 -10.467 291 H LYS 32 H LYS 32 3.572 16.362 -8.038 292 HA LYS 32 HA LYS 32 2.385 18.463 -9.407 293 HB2 LYS 32 1HB LYS 32 3.093 18.239 -6.478 294 HB3 LYS 32 2HB LYS 32 2.047 19.486 -7.147 295 HG2 LYS 32 1HG LYS 32 1.310 16.716 -7.814 296 HG3 LYS 32 2HG LYS 32 1.160 17.167 -6.113 297 HD2 LYS 32 1HD LYS 32 0.074 19.002 -8.198 298 HD3 LYS 32 2HD LYS 32 -0.829 17.541 -7.791 299 HE2 LYS 32 1HE LYS 32 -0.343 18.413 -5.323 300 HE3 LYS 32 2HE LYS 32 -0.278 19.961 -6.163 301 HZ1 LYS 32 3HZ LYS 32 -2.544 18.043 -6.238 302 HZ2 LYS 32 1HZ LYS 32 -2.481 19.520 -7.062 303 HZ3 LYS 32 2HZ LYS 32 -2.504 19.495 -5.371 304 H LYS 33 H LYS 33 5.562 18.221 -8.001 305 HA LYS 33 HA LYS 33 6.379 20.641 -9.335 306 HB2 LYS 33 1HB LYS 33 5.641 20.731 -6.571 307 HB3 LYS 33 2HB LYS 33 7.377 20.981 -6.698 308 HG2 LYS 33 1HG LYS 33 5.576 22.509 -8.508 309 HG3 LYS 33 2HG LYS 33 5.704 22.993 -6.815 310 HD2 LYS 33 1HD LYS 33 7.638 24.009 -7.230 311 HD3 LYS 33 2HD LYS 33 8.324 22.498 -7.832 312 HE2 LYS 33 1HE LYS 33 7.766 22.979 -10.035 313 HE3 LYS 33 2HE LYS 33 6.528 24.145 -9.570 314 HZ1 LYS 33 3HZ LYS 33 8.458 25.266 -10.453 315 HZ2 LYS 33 1HZ LYS 33 9.463 24.521 -9.313 316 HZ3 LYS 33 2HZ LYS 33 8.291 25.632 -8.810 317 H LYS 34 H LYS 34 7.849 19.397 -10.448 318 HA LYS 34 HA LYS 34 9.922 18.047 -8.853 319 HB2 LYS 34 1HB LYS 34 8.482 17.267 -11.197 320 HB3 LYS 34 2HB LYS 34 10.184 17.414 -11.612 321 HG2 LYS 34 1HG LYS 34 10.818 15.723 -10.186 322 HG3 LYS 34 2HG LYS 34 9.398 15.916 -9.155 323 HD2 LYS 34 1HD LYS 34 8.417 14.253 -10.255 324 HD3 LYS 34 2HD LYS 34 8.450 15.236 -11.721 325 HE2 LYS 34 1HE LYS 34 10.892 14.395 -11.930 326 HE3 LYS 34 2HE LYS 34 10.383 13.143 -10.798 327 HZ1 LYS 34 3HZ LYS 34 8.427 12.943 -12.527 328 HZ2 LYS 34 1HZ LYS 34 9.890 12.123 -12.748 329 HZ3 LYS 34 2HZ LYS 34 9.594 13.566 -13.579 330 H LYS 35 H LYS 35 12.109 18.010 -10.067 331 HA LYS 35 HA LYS 35 13.958 19.180 -10.692 332 HB2 LYS 35 1HB LYS 35 12.839 19.219 -12.861 333 HB3 LYS 35 2HB LYS 35 11.937 20.655 -12.391 334 HG2 LYS 35 1HG LYS 35 13.713 21.345 -13.811 335 HG3 LYS 35 2HG LYS 35 14.113 21.858 -12.170 336 HD2 LYS 35 1HD LYS 35 15.305 19.463 -12.169 337 HD3 LYS 35 2HD LYS 35 15.395 19.819 -13.896 338 HE2 LYS 35 1HE LYS 35 16.232 21.855 -11.864 339 HE3 LYS 35 2HE LYS 35 17.332 20.565 -12.350 340 HZ1 LYS 35 3HZ LYS 35 17.850 21.752 -14.127 341 HZ2 LYS 35 1HZ LYS 35 16.749 22.960 -13.693 342 HZ3 LYS 35 2HZ LYS 35 16.249 21.672 -14.667 343 H LYS 36 H LYS 36 14.452 20.116 -8.722 344 HA LYS 36 HA LYS 36 13.215 22.434 -7.689 345 HB2 LYS 36 1HB LYS 36 16.013 21.433 -7.138 346 HB3 LYS 36 2HB LYS 36 15.072 22.519 -6.125 347 HG2 LYS 36 1HG LYS 36 14.184 19.723 -6.769 348 HG3 LYS 36 2HG LYS 36 15.198 20.114 -5.379 349 HD2 LYS 36 1HD LYS 36 13.342 21.864 -4.859 350 HD3 LYS 36 2HD LYS 36 12.352 20.861 -5.923 351 HE2 LYS 36 1HE LYS 36 13.453 18.968 -4.342 352 HE3 LYS 36 2HE LYS 36 13.379 20.321 -3.215 353 HZ1 LYS 36 3HZ LYS 36 11.316 18.629 -3.948 354 HZ2 LYS 36 1HZ LYS 36 10.954 20.126 -4.647 355 HZ3 LYS 36 2HZ LYS 36 11.214 20.012 -2.980 Start of MODEL 18 1 H1 LYS 1 H LYS 1 1.980 -17.236 13.900 2 HA LYS 1 HA LYS 1 1.589 -17.388 11.661 3 HB2 LYS 1 1HB LYS 1 3.754 -19.491 11.681 4 HB3 LYS 1 2HB LYS 1 3.308 -18.423 10.356 5 HG2 LYS 1 1HG LYS 1 4.123 -16.502 11.612 6 HG3 LYS 1 2HG LYS 1 4.545 -17.558 12.962 7 HD2 LYS 1 1HD LYS 1 5.687 -18.533 10.500 8 HD3 LYS 1 2HD LYS 1 6.157 -16.855 10.787 9 HE2 LYS 1 1HE LYS 1 7.396 -17.378 12.604 10 HE3 LYS 1 2HE LYS 1 6.291 -18.649 13.124 11 HZ1 LYS 1 3HZ LYS 1 8.708 -19.092 12.063 12 HZ2 LYS 1 1HZ LYS 1 7.735 -19.217 10.685 13 HZ3 LYS 1 2HZ LYS 1 7.437 -20.207 12.023 14 H LYS 2 H LYS 2 -0.349 -18.222 11.191 15 HA LYS 2 HA LYS 2 -0.771 -21.109 11.438 16 HB2 LYS 2 1HB LYS 2 -2.558 -18.724 11.333 17 HB3 LYS 2 2HB LYS 2 -3.191 -20.256 10.746 18 HG2 LYS 2 1HG LYS 2 -2.129 -21.038 13.100 19 HG3 LYS 2 2HG LYS 2 -2.591 -19.378 13.485 20 HD2 LYS 2 1HD LYS 2 -4.519 -21.191 12.089 21 HD3 LYS 2 2HD LYS 2 -4.303 -21.304 13.838 22 HE2 LYS 2 1HE LYS 2 -5.127 -19.169 14.205 23 HE3 LYS 2 2HE LYS 2 -4.792 -18.647 12.555 24 HZ1 LYS 2 3HZ LYS 2 -6.613 -19.926 11.753 25 HZ2 LYS 2 1HZ LYS 2 -7.182 -19.005 13.053 26 HZ3 LYS 2 2HZ LYS 2 -6.861 -20.653 13.260 27 H LYS 3 H LYS 3 -1.484 -22.382 9.722 28 HA LYS 3 HA LYS 3 -0.833 -21.302 7.076 29 HB2 LYS 3 1HB LYS 3 -1.215 -24.182 7.917 30 HB3 LYS 3 2HB LYS 3 -0.619 -23.620 6.361 31 HG2 LYS 3 1HG LYS 3 1.395 -22.812 7.330 32 HG3 LYS 3 2HG LYS 3 0.777 -23.061 8.964 33 HD2 LYS 3 1HD LYS 3 1.446 -25.188 8.967 34 HD3 LYS 3 2HD LYS 3 0.656 -25.500 7.420 35 HE2 LYS 3 1HE LYS 3 2.913 -25.925 7.000 36 HE3 LYS 3 2HE LYS 3 2.664 -24.296 6.375 37 HZ1 LYS 3 3HZ LYS 3 3.409 -23.671 8.798 38 HZ2 LYS 3 1HZ LYS 3 4.546 -23.978 7.584 39 HZ3 LYS 3 2HZ LYS 3 4.175 -25.176 8.719 40 H LYS 4 H LYS 4 -2.150 -22.427 5.256 41 HA LYS 4 HA LYS 4 -4.133 -22.616 4.158 42 HB2 LYS 4 1HB LYS 4 -5.268 -23.404 6.846 43 HB3 LYS 4 2HB LYS 4 -5.961 -23.752 5.267 44 HG2 LYS 4 1HG LYS 4 -3.586 -24.915 4.937 45 HG3 LYS 4 2HG LYS 4 -3.723 -25.056 6.691 46 HD2 LYS 4 1HD LYS 4 -5.397 -26.564 6.566 47 HD3 LYS 4 2HD LYS 4 -6.141 -25.777 5.172 48 HE2 LYS 4 1HE LYS 4 -4.289 -26.707 3.770 49 HE3 LYS 4 2HE LYS 4 -3.759 -27.625 5.179 50 HZ1 LYS 4 3HZ LYS 4 -5.096 -29.114 4.059 51 HZ2 LYS 4 1HZ LYS 4 -6.217 -27.939 3.584 52 HZ3 LYS 4 2HZ LYS 4 -6.176 -28.470 5.190 53 H ASP 5 H ASP 5 -6.681 -21.991 4.600 54 HA ASP 5 HA ASP 5 -8.162 -20.275 4.770 55 HB2 ASP 5 1HB ASP 5 -6.432 -19.002 6.873 56 HB3 ASP 5 2HB ASP 5 -8.188 -19.003 6.738 57 H LYS 6 H LYS 6 -8.057 -19.150 2.918 58 HA LYS 6 HA LYS 6 -5.852 -17.664 2.017 59 HB2 LYS 6 1HB LYS 6 -7.382 -16.730 0.355 60 HB3 LYS 6 2HB LYS 6 -7.622 -18.465 0.522 61 HG2 LYS 6 1HG LYS 6 -9.786 -18.012 0.719 62 HG3 LYS 6 2HG LYS 6 -9.409 -17.393 2.328 63 HD2 LYS 6 1HD LYS 6 -10.403 -15.527 1.518 64 HD3 LYS 6 2HD LYS 6 -8.792 -15.232 0.857 65 HE2 LYS 6 1HE LYS 6 -9.560 -16.455 -1.215 66 HE3 LYS 6 2HE LYS 6 -11.190 -16.390 -0.547 67 HZ1 LYS 6 3HZ LYS 6 -10.156 -13.823 -0.386 68 HZ2 LYS 6 1HZ LYS 6 -11.380 -14.378 -1.414 69 HZ3 LYS 6 2HZ LYS 6 -9.771 -14.386 -1.934 70 H TRP 7 H TRP 7 -8.607 -16.797 4.004 71 HA TRP 7 HA TRP 7 -8.306 -13.994 3.876 72 HB2 TRP 7 2HB TRP 7 -9.558 -15.803 5.943 73 HB3 TRP 7 3HB TRP 7 -9.594 -14.047 6.066 74 HD1 TRP 7 1HD TRP 7 -11.856 -16.597 5.168 75 HE1 TRP 7 1HE TRP 7 -13.566 -15.857 3.391 76 HE3 TRP 7 3HE TRP 7 -9.473 -12.417 3.438 77 HZ2 TRP 7 2HZ TRP 7 -13.863 -13.777 1.505 78 HZ3 TRP 7 3HZ TRP 7 -10.537 -11.109 1.647 79 HH2 TRP 7 2HH TRP 7 -12.686 -11.777 0.700 80 H ALA 8 H ALA 8 -7.018 -16.426 6.108 81 HA ALA 8 HA ALA 8 -5.814 -14.733 7.958 82 HB1 ALA 8 3HB ALA 8 -4.269 -16.648 8.395 83 HB2 ALA 8 1HB ALA 8 -5.982 -17.069 8.418 84 HB3 ALA 8 2HB ALA 8 -4.992 -17.474 7.014 85 H SER 9 H SER 9 -4.862 -15.555 4.722 86 HA SER 9 HA SER 9 -2.149 -14.638 5.005 87 HB2 SER 9 1HB SER 9 -3.216 -16.349 3.280 88 HB3 SER 9 2HB SER 9 -3.452 -14.884 2.328 89 HG SER 9 HG SER 9 -1.449 -15.195 1.774 90 H LEU 10 H LEU 10 -5.214 -13.263 4.138 91 HA LEU 10 HA LEU 10 -4.419 -11.027 2.684 92 HB2 LEU 10 1HB LEU 10 -6.771 -11.895 3.203 93 HB3 LEU 10 2HB LEU 10 -6.644 -10.971 4.698 94 HG LEU 10 HG LEU 10 -6.272 -9.667 2.019 95 HD11 LEU 10 1HD1 LEU 10 -8.902 -9.563 3.399 96 HD12 LEU 10 2HD1 LEU 10 -8.524 -10.981 2.421 97 HD13 LEU 10 3HD1 LEU 10 -8.511 -9.376 1.689 98 HD21 LEU 10 3HD2 LEU 10 -5.930 -7.875 3.278 99 HD22 LEU 10 1HD2 LEU 10 -6.173 -8.831 4.739 100 HD23 LEU 10 2HD2 LEU 10 -7.548 -8.050 3.958 101 H TRP 11 H TRP 11 -4.228 -11.690 6.094 102 HA TRP 11 HA TRP 11 -3.789 -8.987 6.914 103 HB2 TRP 11 2HB TRP 11 -2.863 -11.388 8.470 104 HB3 TRP 11 3HB TRP 11 -3.458 -9.843 9.071 105 HD1 TRP 11 1HD TRP 11 -4.574 -13.000 9.570 106 HE1 TRP 11 1HE TRP 11 -7.123 -13.320 9.388 107 HE3 TRP 11 3HE TRP 11 -5.737 -8.778 6.931 108 HZ2 TRP 11 2HZ TRP 11 -9.332 -11.962 8.273 109 HZ3 TRP 11 3HZ TRP 11 -8.091 -8.363 6.348 110 HH2 TRP 11 2HH TRP 11 -9.850 -9.923 7.005 111 H ASN 12 H ASN 12 -1.751 -11.648 5.893 112 HA ASN 12 HA ASN 12 0.689 -10.258 6.614 113 HB2 ASN 12 1HB ASN 12 0.610 -12.717 4.898 114 HB3 ASN 12 2HB ASN 12 1.824 -12.222 6.073 115 HD21 ASN 12 2HD2 ASN 12 0.287 -11.679 8.265 116 HD22 ASN 12 1HD2 ASN 12 -0.465 -13.131 8.821 117 H TRP 13 H TRP 13 -1.365 -10.625 3.868 118 HA TRP 13 HA TRP 13 0.653 -9.731 1.983 119 HB2 TRP 13 2HB TRP 13 -0.887 -11.351 1.132 120 HB3 TRP 13 3HB TRP 13 -2.273 -10.419 1.692 121 HD1 TRP 13 1HD TRP 13 0.678 -9.827 -0.776 122 HE1 TRP 13 1HE TRP 13 -0.254 -8.581 -2.826 123 HE3 TRP 13 3HE TRP 13 -4.187 -9.339 0.715 124 HZ2 TRP 13 2HZ TRP 13 -2.725 -7.529 -3.696 125 HZ3 TRP 13 3HZ TRP 13 -5.771 -8.199 -0.785 126 HH2 TRP 13 2HH TRP 13 -5.053 -7.314 -2.943 127 H PHE 14 H PHE 14 -2.196 -8.471 3.624 128 HA PHE 14 HA PHE 14 -2.111 -5.952 2.229 129 HB2 PHE 14 2HB PHE 14 -4.255 -6.823 2.990 130 HB3 PHE 14 3HB PHE 14 -3.687 -6.834 4.656 131 HD1 PHE 14 2HD PHE 14 -3.442 -4.761 5.901 132 HD2 PHE 14 1HD PHE 14 -4.916 -4.782 1.908 133 HE1 PHE 14 2HE PHE 14 -4.274 -2.464 6.200 134 HE2 PHE 14 1HE PHE 14 -5.749 -2.485 2.199 135 HZ PHE 14 HZ PHE 14 -5.430 -1.324 4.347 136 H ASP 15 H ASP 15 -0.742 -7.300 5.096 137 HA ASP 15 HA ASP 15 -0.306 -5.080 6.684 138 HB2 ASP 15 1HB ASP 15 0.883 -7.731 6.388 139 HB3 ASP 15 2HB ASP 15 2.038 -6.527 6.952 140 H ILE 16 H ILE 16 1.385 -6.108 3.787 141 HA ILE 16 HA ILE 16 3.397 -4.035 4.060 142 HB ILE 16 HB ILE 16 4.229 -4.866 1.877 143 HG12 ILE 16 1HG1 ILE 16 2.616 -7.303 1.916 144 HG13 ILE 16 2HG1 ILE 16 1.664 -5.860 1.582 145 HG21 ILE 16 1HG2 ILE 16 3.840 -6.743 4.178 146 HG22 ILE 16 2HG2 ILE 16 4.748 -7.235 2.751 147 HG23 ILE 16 3HG2 ILE 16 5.283 -5.850 3.702 148 HD11 ILE 16 3HD1 ILE 16 3.781 -5.479 -0.061 149 HD12 ILE 16 1HD1 ILE 16 3.649 -7.237 -0.069 150 HD13 ILE 16 2HD1 ILE 16 2.266 -6.247 -0.534 151 H THR 17 H THR 17 0.325 -4.459 2.590 152 HA THR 17 HA THR 17 0.686 -2.351 0.635 153 HB THR 17 HB THR 17 -1.546 -2.782 -0.074 154 HG1 THR 17 1HG THR 17 -2.612 -2.915 1.906 155 HG21 THR 17 3HG2 THR 17 -0.993 -4.725 -1.018 156 HG22 THR 17 1HG2 THR 17 -1.145 -5.576 0.519 157 HG23 THR 17 2HG2 THR 17 0.381 -4.805 0.085 158 H ASN 18 H ASN 18 -0.228 -2.610 3.909 159 HA ASN 18 HA ASN 18 -2.099 -0.617 4.269 160 HB2 ASN 18 1HB ASN 18 -0.939 -2.213 5.983 161 HB3 ASN 18 2HB ASN 18 0.194 -0.880 6.186 162 HD21 ASN 18 2HD2 ASN 18 -2.400 -2.237 7.512 163 HD22 ASN 18 1HD2 ASN 18 -3.153 -0.858 8.231 164 H TRP 19 H TRP 19 1.443 -0.229 4.439 165 HA TRP 19 HA TRP 19 1.199 2.650 4.396 166 HB2 TRP 19 2HB TRP 19 3.523 2.717 4.780 167 HB3 TRP 19 3HB TRP 19 2.969 1.302 5.670 168 HD1 TRP 19 1HD TRP 19 3.109 -1.050 3.883 169 HE1 TRP 19 1HE TRP 19 5.229 -1.790 2.624 170 HE3 TRP 19 3HE TRP 19 5.657 3.381 3.908 171 HZ2 TRP 19 2HZ TRP 19 7.659 -0.647 1.757 172 HZ3 TRP 19 3HZ TRP 19 7.874 3.473 2.842 173 HH2 TRP 19 2HH TRP 19 8.852 1.499 1.790 174 H LEU 20 H LEU 20 1.863 0.080 2.145 175 HA LEU 20 HA LEU 20 3.128 1.475 0.097 176 HB2 LEU 20 1HB LEU 20 2.639 -1.025 0.310 177 HB3 LEU 20 2HB LEU 20 1.063 -0.653 -0.385 178 HG LEU 20 HG LEU 20 2.346 0.342 -2.351 179 HD11 LEU 20 1HD1 LEU 20 4.518 0.251 -0.916 180 HD12 LEU 20 2HD1 LEU 20 4.589 -0.088 -2.644 181 HD13 LEU 20 3HD1 LEU 20 4.597 -1.416 -1.483 182 HD21 LEU 20 3HD2 LEU 20 2.694 -1.881 -3.365 183 HD22 LEU 20 1HD2 LEU 20 1.150 -1.749 -2.523 184 HD23 LEU 20 2HD2 LEU 20 2.491 -2.615 -1.773 185 H TRP 21 H TRP 21 -0.151 1.590 1.177 186 HA TRP 21 HA TRP 21 -1.430 2.509 -1.138 187 HB2 TRP 21 2HB TRP 21 -2.613 1.774 0.909 188 HB3 TRP 21 3HB TRP 21 -2.059 3.228 1.734 189 HD1 TRP 21 1HD TRP 21 -4.781 1.958 -0.507 190 HE1 TRP 21 1HE TRP 21 -6.405 3.873 -1.075 191 HE3 TRP 21 3HE TRP 21 -2.047 5.895 1.272 192 HZ2 TRP 21 2HZ TRP 21 -6.512 6.681 -0.805 193 HZ3 TRP 21 3HZ TRP 21 -2.982 8.163 1.078 194 HH2 TRP 21 2HH TRP 21 -5.168 8.546 0.060 195 H TYR 22 H TYR 22 0.357 4.237 1.369 196 HA TYR 22 HA TYR 22 -0.261 6.844 0.434 197 HB2 TYR 22 2HB TYR 22 0.627 6.188 2.736 198 HB3 TYR 22 3HB TYR 22 2.214 6.080 1.982 199 HD1 TYR 22 1HD TYR 22 -0.503 8.564 1.409 200 HD2 TYR 22 2HD TYR 22 3.422 7.855 2.887 201 HE1 TYR 22 1HE TYR 22 -0.194 10.982 1.729 202 HE2 TYR 22 2HE TYR 22 3.742 10.273 3.212 203 HH TYR 22 HH TYR 22 1.607 12.599 1.917 204 H ILE 23 H ILE 23 2.354 4.574 -0.222 205 HA ILE 23 HA ILE 23 4.145 6.182 -1.562 206 HB ILE 23 HB ILE 23 3.401 3.302 -1.892 207 HG12 ILE 23 1HG1 ILE 23 5.783 3.029 -1.161 208 HG13 ILE 23 2HG1 ILE 23 5.884 4.779 -1.000 209 HG21 ILE 23 1HG2 ILE 23 5.257 4.885 -3.647 210 HG22 ILE 23 2HG2 ILE 23 5.392 3.138 -3.453 211 HG23 ILE 23 3HG2 ILE 23 3.921 3.839 -4.127 212 HD11 ILE 23 3HD1 ILE 23 3.717 3.351 0.440 213 HD12 ILE 23 1HD1 ILE 23 5.366 3.240 1.058 214 HD13 ILE 23 2HD1 ILE 23 4.595 4.816 0.878 215 H LYS 24 H LYS 24 1.408 4.397 -2.982 216 HA LYS 24 HA LYS 24 1.700 5.206 -5.614 217 HB2 LYS 24 1HB LYS 24 -0.522 4.206 -3.946 218 HB3 LYS 24 2HB LYS 24 -1.004 5.082 -5.393 219 HG2 LYS 24 1HG LYS 24 0.140 3.558 -6.803 220 HG3 LYS 24 2HG LYS 24 0.945 2.794 -5.430 221 HD2 LYS 24 1HD LYS 24 -1.996 2.811 -5.310 222 HD3 LYS 24 2HD LYS 24 -1.304 1.844 -6.615 223 HE2 LYS 24 1HE LYS 24 -0.178 0.439 -5.144 224 HE3 LYS 24 2HE LYS 24 -0.256 1.602 -3.821 225 HZ1 LYS 24 3HZ LYS 24 -2.302 0.924 -3.229 226 HZ2 LYS 24 1HZ LYS 24 -1.863 -0.505 -4.023 227 HZ3 LYS 24 2HZ LYS 24 -2.809 0.648 -4.820 228 H LEU 25 H LEU 25 0.375 6.941 -2.883 229 HA LEU 25 HA LEU 25 -0.781 9.046 -4.454 230 HB2 LEU 25 1HB LEU 25 -0.437 8.435 -1.585 231 HB3 LEU 25 2HB LEU 25 -0.564 10.141 -2.009 232 HG LEU 25 HG LEU 25 -2.717 9.130 -1.333 233 HD11 LEU 25 1HD1 LEU 25 -2.577 10.021 -4.210 234 HD12 LEU 25 2HD1 LEU 25 -2.673 11.075 -2.800 235 HD13 LEU 25 3HD1 LEU 25 -4.022 10.012 -3.199 236 HD21 LEU 25 3HD2 LEU 25 -2.859 7.670 -3.919 237 HD22 LEU 25 1HD2 LEU 25 -3.700 7.366 -2.399 238 HD23 LEU 25 2HD2 LEU 25 -2.005 6.914 -2.574 239 H PHE 26 H PHE 26 2.306 8.406 -2.982 240 HA PHE 26 HA PHE 26 3.279 11.085 -3.066 241 HB2 PHE 26 2HB PHE 26 4.337 9.582 -1.543 242 HB3 PHE 26 3HB PHE 26 4.658 8.411 -2.818 243 HD1 PHE 26 2HD PHE 26 5.236 12.084 -2.744 244 HD2 PHE 26 1HD PHE 26 6.958 8.196 -2.903 245 HE1 PHE 26 2HE PHE 26 7.456 13.086 -3.097 246 HE2 PHE 26 1HE PHE 26 9.180 9.189 -3.255 247 HZ PHE 26 HZ PHE 26 9.432 11.637 -3.353 248 H ILE 27 H ILE 27 3.269 8.387 -5.297 249 HA ILE 27 HA ILE 27 5.194 9.331 -7.116 250 HB ILE 27 HB ILE 27 2.766 7.643 -7.733 251 HG12 ILE 27 1HG1 ILE 27 5.566 6.742 -7.031 252 HG13 ILE 27 2HG1 ILE 27 4.226 6.766 -5.889 253 HG21 ILE 27 1HG2 ILE 27 4.573 6.773 -9.459 254 HG22 ILE 27 2HG2 ILE 27 3.539 8.158 -9.815 255 HG23 ILE 27 3HG2 ILE 27 5.194 8.412 -9.260 256 HD11 ILE 27 3HD1 ILE 27 3.744 4.710 -6.535 257 HD12 ILE 27 1HD1 ILE 27 3.284 5.363 -8.108 258 HD13 ILE 27 2HD1 ILE 27 4.930 4.786 -7.839 259 H MET 28 H MET 28 1.819 10.111 -6.662 260 HA MET 28 HA MET 28 1.653 11.584 -9.153 261 HB2 MET 28 1HB MET 28 -0.333 11.412 -6.880 262 HB3 MET 28 2HB MET 28 -0.641 12.074 -8.481 263 HG2 MET 28 1HG MET 28 0.078 9.700 -9.285 264 HG3 MET 28 2HG MET 28 -0.316 9.238 -7.632 265 HE1 MET 28 3HE MET 28 -4.086 9.879 -7.333 266 HE2 MET 28 1HE MET 28 -2.709 8.977 -6.700 267 HE3 MET 28 2HE MET 28 -2.693 10.740 -6.677 268 H ILE 29 H ILE 29 1.419 12.362 -5.682 269 HA ILE 29 HA ILE 29 1.215 15.106 -5.858 270 HB ILE 29 HB ILE 29 2.731 13.530 -3.774 271 HG12 ILE 29 1HG1 ILE 29 -0.025 14.633 -3.402 272 HG13 ILE 29 2HG1 ILE 29 0.177 13.138 -4.308 273 HG21 ILE 29 1HG2 ILE 29 3.425 15.684 -3.366 274 HG22 ILE 29 2HG2 ILE 29 1.928 16.395 -3.967 275 HG23 ILE 29 3HG2 ILE 29 1.960 15.609 -2.388 276 HD11 ILE 29 3HD1 ILE 29 -0.183 12.350 -2.191 277 HD12 ILE 29 1HD1 ILE 29 1.579 12.412 -2.235 278 HD13 ILE 29 2HD1 ILE 29 0.670 13.691 -1.428 279 H VAL 30 H VAL 30 4.148 13.117 -5.872 280 HA VAL 30 HA VAL 30 5.999 15.243 -5.883 281 HB VAL 30 HB VAL 30 6.570 12.866 -5.383 282 HG11 VAL 30 1HG1 VAL 30 6.602 12.474 -8.368 283 HG12 VAL 30 2HG1 VAL 30 6.867 11.267 -7.108 284 HG13 VAL 30 3HG1 VAL 30 5.263 11.962 -7.342 285 HG21 VAL 30 3HG2 VAL 30 8.341 13.718 -7.624 286 HG22 VAL 30 1HG2 VAL 30 8.173 14.769 -6.219 287 HG23 VAL 30 2HG2 VAL 30 8.762 13.119 -6.020 288 H GLY 31 H GLY 31 4.114 13.745 -8.405 289 HA2 GLY 31 1HA GLY 31 5.643 14.718 -10.605 290 HA3 GLY 31 2HA GLY 31 3.994 14.115 -10.674 291 H LYS 32 H LYS 32 3.268 16.149 -8.543 292 HA LYS 32 HA LYS 32 2.175 18.097 -10.194 293 HB2 LYS 32 1HB LYS 32 2.883 18.388 -7.268 294 HB3 LYS 32 2HB LYS 32 1.714 19.359 -8.154 295 HG2 LYS 32 1HG LYS 32 1.101 16.562 -8.417 296 HG3 LYS 32 2HG LYS 32 1.236 17.018 -6.717 297 HD2 LYS 32 1HD LYS 32 -0.381 18.617 -8.684 298 HD3 LYS 32 2HD LYS 32 -1.059 17.247 -7.802 299 HE2 LYS 32 1HE LYS 32 0.331 18.959 -5.980 300 HE3 LYS 32 2HE LYS 32 -0.793 19.920 -6.939 301 HZ1 LYS 32 3HZ LYS 32 -2.056 17.539 -6.132 302 HZ2 LYS 32 1HZ LYS 32 -2.463 19.135 -5.744 303 HZ3 LYS 32 2HZ LYS 32 -1.376 18.280 -4.772 304 H LYS 33 H LYS 33 5.347 17.864 -8.822 305 HA LYS 33 HA LYS 33 5.966 20.608 -9.675 306 HB2 LYS 33 1HB LYS 33 6.555 19.384 -7.317 307 HB3 LYS 33 2HB LYS 33 8.025 19.065 -8.229 308 HG2 LYS 33 1HG LYS 33 7.054 21.833 -8.367 309 HG3 LYS 33 2HG LYS 33 7.577 21.294 -6.769 310 HD2 LYS 33 1HD LYS 33 9.740 21.236 -7.371 311 HD3 LYS 33 2HD LYS 33 9.380 20.519 -8.942 312 HE2 LYS 33 1HE LYS 33 9.160 22.550 -9.971 313 HE3 LYS 33 2HE LYS 33 8.638 23.363 -8.496 314 HZ1 LYS 33 3HZ LYS 33 11.233 23.189 -9.601 315 HZ2 LYS 33 1HZ LYS 33 11.234 22.520 -8.048 316 HZ3 LYS 33 2HZ LYS 33 10.699 24.106 -8.284 317 H LYS 34 H LYS 34 6.795 17.241 -10.151 318 HA LYS 34 HA LYS 34 8.301 18.006 -12.547 319 HB2 LYS 34 1HB LYS 34 9.912 16.102 -11.979 320 HB3 LYS 34 2HB LYS 34 10.082 17.597 -11.068 321 HG2 LYS 34 1HG LYS 34 9.588 16.607 -9.127 322 HG3 LYS 34 2HG LYS 34 8.275 15.662 -9.833 323 HD2 LYS 34 1HD LYS 34 9.929 14.119 -9.093 324 HD3 LYS 34 2HD LYS 34 10.029 14.179 -10.855 325 HE2 LYS 34 1HE LYS 34 12.253 14.204 -9.908 326 HE3 LYS 34 2HE LYS 34 11.911 15.758 -10.668 327 HZ1 LYS 34 3HZ LYS 34 12.089 16.819 -8.729 328 HZ2 LYS 34 1HZ LYS 34 12.858 15.424 -8.161 329 HZ3 LYS 34 2HZ LYS 34 11.206 15.653 -7.881 330 H LYS 35 H LYS 35 6.634 17.326 -13.868 331 HA LYS 35 HA LYS 35 5.285 14.852 -13.588 332 HB2 LYS 35 1HB LYS 35 5.591 16.759 -15.904 333 HB3 LYS 35 2HB LYS 35 4.632 15.290 -16.013 334 HG2 LYS 35 1HG LYS 35 3.089 16.056 -14.407 335 HG3 LYS 35 2HG LYS 35 4.152 17.372 -13.903 336 HD2 LYS 35 1HD LYS 35 3.657 18.656 -15.744 337 HD3 LYS 35 2HD LYS 35 3.250 17.259 -16.743 338 HE2 LYS 35 1HE LYS 35 1.152 16.992 -15.651 339 HE3 LYS 35 2HE LYS 35 1.581 18.162 -14.405 340 HZ1 LYS 35 3HZ LYS 35 0.305 18.634 -16.842 341 HZ2 LYS 35 1HZ LYS 35 1.814 19.397 -16.910 342 HZ3 LYS 35 2HZ LYS 35 0.738 19.760 -15.657 343 H LYS 36 H LYS 36 8.164 15.850 -15.337 344 HA LYS 36 HA LYS 36 8.590 13.039 -16.119 345 HB2 LYS 36 1HB LYS 36 8.932 15.567 -17.617 346 HB3 LYS 36 2HB LYS 36 10.213 14.379 -17.818 347 HG2 LYS 36 1HG LYS 36 8.818 13.782 -19.521 348 HG3 LYS 36 2HG LYS 36 8.203 12.745 -18.232 349 HD2 LYS 36 1HD LYS 36 6.204 13.619 -18.746 350 HD3 LYS 36 2HD LYS 36 6.761 15.039 -17.859 351 HE2 LYS 36 1HE LYS 36 6.574 16.238 -19.718 352 HE3 LYS 36 2HE LYS 36 7.816 15.235 -20.467 353 HZ1 LYS 36 3HZ LYS 36 5.467 15.439 -21.532 354 HZ2 LYS 36 1HZ LYS 36 5.049 14.257 -20.396 355 HZ3 LYS 36 2HZ LYS 36 6.269 13.950 -21.528 Start of MODEL 19 1 H1 LYS 1 H LYS 1 -8.309 -22.253 15.610 2 HA LYS 1 HA LYS 1 -8.590 -22.840 13.164 3 HB2 LYS 1 1HB LYS 1 -9.212 -19.894 12.974 4 HB3 LYS 1 2HB LYS 1 -9.274 -21.093 11.688 5 HG2 LYS 1 1HG LYS 1 -11.469 -21.102 12.102 6 HG3 LYS 1 2HG LYS 1 -11.039 -22.137 13.465 7 HD2 LYS 1 1HD LYS 1 -12.440 -20.439 14.338 8 HD3 LYS 1 2HD LYS 1 -10.797 -20.023 14.831 9 HE2 LYS 1 1HE LYS 1 -10.733 -18.174 13.527 10 HE3 LYS 1 2HE LYS 1 -11.706 -18.907 12.254 11 HZ1 LYS 1 3HZ LYS 1 -13.394 -18.644 14.409 12 HZ2 LYS 1 1HZ LYS 1 -13.386 -17.697 13.008 13 HZ3 LYS 1 2HZ LYS 1 -12.520 -17.196 14.371 14 H LYS 2 H LYS 2 -6.391 -23.157 13.946 15 HA LYS 2 HA LYS 2 -4.609 -20.858 13.638 16 HB2 LYS 2 1HB LYS 2 -4.162 -23.641 14.722 17 HB3 LYS 2 2HB LYS 2 -2.871 -22.466 14.514 18 HG2 LYS 2 1HG LYS 2 -3.452 -21.315 16.343 19 HG3 LYS 2 2HG LYS 2 -5.180 -21.473 16.018 20 HD2 LYS 2 1HD LYS 2 -5.275 -23.608 17.011 21 HD3 LYS 2 2HD LYS 2 -3.518 -23.778 17.000 22 HE2 LYS 2 1HE LYS 2 -4.292 -23.308 19.246 23 HE3 LYS 2 2HE LYS 2 -3.353 -21.946 18.635 24 HZ1 LYS 2 3HZ LYS 2 -5.769 -21.731 19.773 25 HZ2 LYS 2 1HZ LYS 2 -6.196 -21.779 18.137 26 HZ3 LYS 2 2HZ LYS 2 -5.123 -20.598 18.696 27 H LYS 3 H LYS 3 -5.900 -22.016 11.327 28 HA LYS 3 HA LYS 3 -3.632 -23.265 9.933 29 HB2 LYS 3 1HB LYS 3 -6.588 -23.389 9.594 30 HB3 LYS 3 2HB LYS 3 -5.594 -23.544 8.152 31 HG2 LYS 3 1HG LYS 3 -5.718 -25.730 8.705 32 HG3 LYS 3 2HG LYS 3 -4.326 -25.298 9.701 33 HD2 LYS 3 1HD LYS 3 -5.568 -26.314 11.306 34 HD3 LYS 3 2HD LYS 3 -6.279 -24.703 11.427 35 HE2 LYS 3 1HE LYS 3 -8.236 -25.744 11.122 36 HE3 LYS 3 2HE LYS 3 -7.759 -25.844 9.429 37 HZ1 LYS 3 3HZ LYS 3 -8.440 -27.996 10.223 38 HZ2 LYS 3 1HZ LYS 3 -7.331 -27.930 11.499 39 HZ3 LYS 3 2HZ LYS 3 -6.779 -28.026 9.903 40 H LYS 4 H LYS 4 -2.852 -22.429 8.009 41 HA LYS 4 HA LYS 4 -3.257 -19.585 7.661 42 HB2 LYS 4 1HB LYS 4 -1.341 -21.608 6.560 43 HB3 LYS 4 2HB LYS 4 -1.515 -20.050 5.761 44 HG2 LYS 4 1HG LYS 4 -1.040 -20.117 8.699 45 HG3 LYS 4 2HG LYS 4 0.307 -20.426 7.600 46 HD2 LYS 4 1HD LYS 4 0.401 -18.282 6.912 47 HD3 LYS 4 2HD LYS 4 -1.355 -18.100 6.910 48 HE2 LYS 4 1HE LYS 4 -1.049 -16.822 8.720 49 HE3 LYS 4 2HE LYS 4 -0.786 -18.338 9.579 50 HZ1 LYS 4 3HZ LYS 4 1.153 -17.383 10.120 51 HZ2 LYS 4 1HZ LYS 4 1.112 -16.285 8.834 52 HZ3 LYS 4 2HZ LYS 4 1.646 -17.868 8.576 53 H ASP 5 H ASP 5 -5.374 -19.466 6.854 54 HA ASP 5 HA ASP 5 -5.848 -20.686 4.228 55 HB2 ASP 5 1HB ASP 5 -8.165 -20.436 4.614 56 HB3 ASP 5 2HB ASP 5 -7.501 -20.961 6.159 57 H LYS 6 H LYS 6 -7.655 -19.068 3.091 58 HA LYS 6 HA LYS 6 -6.176 -17.089 1.858 59 HB2 LYS 6 1HB LYS 6 -8.186 -17.866 0.829 60 HB3 LYS 6 2HB LYS 6 -9.159 -17.370 2.207 61 HG2 LYS 6 1HG LYS 6 -7.698 -15.145 1.072 62 HG3 LYS 6 2HG LYS 6 -8.728 -15.940 -0.122 63 HD2 LYS 6 1HD LYS 6 -9.830 -15.316 2.583 64 HD3 LYS 6 2HD LYS 6 -9.676 -14.022 1.392 65 HE2 LYS 6 1HE LYS 6 -10.845 -16.419 0.253 66 HE3 LYS 6 2HE LYS 6 -11.774 -15.823 1.628 67 HZ1 LYS 6 3HZ LYS 6 -11.314 -14.591 -0.976 68 HZ2 LYS 6 1HZ LYS 6 -11.390 -13.553 0.358 69 HZ3 LYS 6 2HZ LYS 6 -12.693 -14.571 0.002 70 H TRP 7 H TRP 7 -8.478 -16.740 4.543 71 HA TRP 7 HA TRP 7 -8.229 -13.954 4.823 72 HB2 TRP 7 2HB TRP 7 -8.955 -16.054 6.877 73 HB3 TRP 7 3HB TRP 7 -9.155 -14.319 7.106 74 HD1 TRP 7 1HD TRP 7 -11.164 -17.171 6.279 75 HE1 TRP 7 1HE TRP 7 -13.268 -16.527 4.944 76 HE3 TRP 7 3HE TRP 7 -9.807 -12.453 4.855 77 HZ2 TRP 7 2HZ TRP 7 -14.226 -14.311 3.480 78 HZ3 TRP 7 3HZ TRP 7 -11.375 -11.137 3.488 79 HH2 TRP 7 2HH TRP 7 -13.537 -12.049 2.815 80 H ALA 8 H ALA 8 -6.420 -16.633 6.234 81 HA ALA 8 HA ALA 8 -4.945 -15.249 8.143 82 HB1 ALA 8 3HB ALA 8 -3.912 -17.541 6.483 83 HB2 ALA 8 1HB ALA 8 -3.406 -17.074 8.107 84 HB3 ALA 8 2HB ALA 8 -5.022 -17.729 7.841 85 H SER 9 H SER 9 -4.084 -15.933 4.753 86 HA SER 9 HA SER 9 -1.642 -14.540 4.776 87 HB2 SER 9 1HB SER 9 -3.439 -15.671 2.719 88 HB3 SER 9 2HB SER 9 -2.381 -14.370 2.170 89 HG SER 9 HG SER 9 -1.766 -16.917 2.612 90 H LEU 10 H LEU 10 -4.924 -13.472 4.467 91 HA LEU 10 HA LEU 10 -4.586 -11.027 3.178 92 HB2 LEU 10 1HB LEU 10 -6.734 -12.224 3.901 93 HB3 LEU 10 2HB LEU 10 -6.500 -11.428 5.455 94 HG LEU 10 HG LEU 10 -6.658 -9.862 2.898 95 HD11 LEU 10 1HD1 LEU 10 -8.675 -11.465 3.488 96 HD12 LEU 10 2HD1 LEU 10 -8.935 -9.825 2.897 97 HD13 LEU 10 3HD1 LEU 10 -9.055 -10.169 4.622 98 HD21 LEU 10 3HD2 LEU 10 -6.261 -9.256 5.657 99 HD22 LEU 10 1HD2 LEU 10 -7.799 -8.568 5.134 100 HD23 LEU 10 2HD2 LEU 10 -6.312 -8.160 4.276 101 H TRP 11 H TRP 11 -3.859 -11.985 6.446 102 HA TRP 11 HA TRP 11 -3.592 -9.335 7.489 103 HB2 TRP 11 2HB TRP 11 -2.232 -11.748 8.658 104 HB3 TRP 11 3HB TRP 11 -2.894 -10.342 9.487 105 HD1 TRP 11 1HD TRP 11 -3.612 -13.642 9.772 106 HE1 TRP 11 1HE TRP 11 -6.117 -14.227 9.874 107 HE3 TRP 11 3HE TRP 11 -5.532 -9.342 7.780 108 HZ2 TRP 11 2HZ TRP 11 -8.580 -13.025 9.199 109 HZ3 TRP 11 3HZ TRP 11 -7.973 -9.141 7.543 110 HH2 TRP 11 2HH TRP 11 -9.464 -10.945 8.237 111 H ASN 12 H ASN 12 -1.458 -11.633 5.934 112 HA ASN 12 HA ASN 12 0.909 -10.061 6.505 113 HB2 ASN 12 1HB ASN 12 0.372 -12.655 5.102 114 HB3 ASN 12 2HB ASN 12 1.903 -11.825 4.839 115 HD21 ASN 12 2HD2 ASN 12 -0.227 -12.684 7.548 116 HD22 ASN 12 1HD2 ASN 12 1.038 -13.227 8.590 117 H TRP 13 H TRP 13 -1.451 -10.371 4.009 118 HA TRP 13 HA TRP 13 0.192 -9.097 1.990 119 HB2 TRP 13 2HB TRP 13 -1.344 -10.746 1.185 120 HB3 TRP 13 3HB TRP 13 -2.692 -9.991 2.030 121 HD1 TRP 13 1HD TRP 13 -0.135 -8.712 -0.616 122 HE1 TRP 13 1HE TRP 13 -1.451 -7.422 -2.413 123 HE3 TRP 13 3HE TRP 13 -4.851 -9.254 1.284 124 HZ2 TRP 13 2HZ TRP 13 -4.133 -6.725 -2.953 125 HZ3 TRP 13 3HZ TRP 13 -6.736 -8.245 0.067 126 HH2 TRP 13 2HH TRP 13 -6.382 -7.007 -2.007 127 H PHE 14 H PHE 14 -2.856 -8.301 3.668 128 HA PHE 14 HA PHE 14 -3.130 -5.704 2.719 129 HB2 PHE 14 2HB PHE 14 -4.955 -6.746 3.876 130 HB3 PHE 14 3HB PHE 14 -3.994 -6.933 5.339 131 HD1 PHE 14 1HD PHE 14 -4.711 -4.066 3.058 132 HD2 PHE 14 2HD PHE 14 -4.790 -5.605 7.025 133 HE1 PHE 14 1HE PHE 14 -5.548 -1.902 3.877 134 HE2 PHE 14 2HE PHE 14 -5.629 -3.444 7.851 135 HZ PHE 14 HZ PHE 14 -6.010 -1.590 6.276 136 H ASP 15 H ASP 15 -1.002 -6.986 5.128 137 HA ASP 15 HA ASP 15 -0.405 -4.515 6.426 138 HB2 ASP 15 1HB ASP 15 -0.047 -6.815 7.403 139 HB3 ASP 15 2HB ASP 15 1.336 -6.982 6.324 140 H ILE 16 H ILE 16 0.711 -6.102 3.558 141 HA ILE 16 HA ILE 16 3.098 -4.476 3.331 142 HB ILE 16 HB ILE 16 1.858 -6.386 1.346 143 HG12 ILE 16 1HG1 ILE 16 4.304 -6.812 3.064 144 HG13 ILE 16 2HG1 ILE 16 2.695 -7.332 3.555 145 HG21 ILE 16 1HG2 ILE 16 4.510 -4.960 1.360 146 HG22 ILE 16 2HG2 ILE 16 4.122 -6.311 0.297 147 HG23 ILE 16 3HG2 ILE 16 3.213 -4.805 0.175 148 HD11 ILE 16 3HD1 ILE 16 4.547 -8.738 2.016 149 HD12 ILE 16 1HD1 ILE 16 2.871 -9.176 2.351 150 HD13 ILE 16 2HD1 ILE 16 3.268 -8.255 0.901 151 H THR 17 H THR 17 -0.118 -4.647 1.902 152 HA THR 17 HA THR 17 0.427 -2.467 0.073 153 HB THR 17 HB THR 17 -1.090 -4.348 -0.550 154 HG1 THR 17 1HG THR 17 -2.290 -2.997 -1.741 155 HG21 THR 17 3HG2 THR 17 -3.288 -3.113 1.021 156 HG22 THR 17 1HG2 THR 17 -2.164 -4.166 1.879 157 HG23 THR 17 2HG2 THR 17 -3.073 -4.783 0.497 158 H ASN 18 H ASN 18 -0.651 -2.835 3.284 159 HA ASN 18 HA ASN 18 -2.464 -0.792 3.654 160 HB2 ASN 18 1HB ASN 18 -2.051 -2.143 5.526 161 HB3 ASN 18 2HB ASN 18 -0.307 -1.918 5.421 162 HD21 ASN 18 2HD2 ASN 18 -3.324 -0.530 6.436 163 HD22 ASN 18 1HD2 ASN 18 -2.650 0.723 7.416 164 H TRP 19 H TRP 19 1.079 -0.539 3.988 165 HA TRP 19 HA TRP 19 0.937 2.345 4.066 166 HB2 TRP 19 2HB TRP 19 3.247 2.311 4.540 167 HB3 TRP 19 3HB TRP 19 2.605 0.882 5.346 168 HD1 TRP 19 1HD TRP 19 2.742 -1.407 3.492 169 HE1 TRP 19 1HE TRP 19 4.878 -2.172 2.276 170 HE3 TRP 19 3HE TRP 19 5.423 2.940 3.746 171 HZ2 TRP 19 2HZ TRP 19 7.369 -1.079 1.526 172 HZ3 TRP 19 3HZ TRP 19 7.674 2.995 2.756 173 HH2 TRP 19 2HH TRP 19 8.626 1.027 1.669 174 H LEU 20 H LEU 20 1.665 -0.150 1.736 175 HA LEU 20 HA LEU 20 3.026 1.321 -0.194 176 HB2 LEU 20 1HB LEU 20 2.466 -1.196 -0.075 177 HB3 LEU 20 2HB LEU 20 0.983 -0.748 -0.915 178 HG LEU 20 HG LEU 20 2.728 0.383 -2.575 179 HD11 LEU 20 1HD1 LEU 20 4.636 -0.338 -1.117 180 HD12 LEU 20 2HD1 LEU 20 4.746 -0.849 -2.802 181 HD13 LEU 20 3HD1 LEU 20 4.257 -2.003 -1.561 182 HD21 LEU 20 3HD2 LEU 20 2.473 -1.517 -3.994 183 HD22 LEU 20 1HD2 LEU 20 0.998 -1.363 -3.041 184 HD23 LEU 20 2HD2 LEU 20 2.199 -2.583 -2.616 185 H TRP 21 H TRP 21 -0.296 1.408 0.743 186 HA TRP 21 HA TRP 21 -1.472 2.418 -1.587 187 HB2 TRP 21 2HB TRP 21 -2.748 1.616 0.373 188 HB3 TRP 21 3HB TRP 21 -2.217 3.030 1.281 189 HD1 TRP 21 1HD TRP 21 -4.850 1.880 -1.127 190 HE1 TRP 21 1HE TRP 21 -6.435 3.831 -1.680 191 HE3 TRP 21 3HE TRP 21 -2.169 5.712 0.937 192 HZ2 TRP 21 2HZ TRP 21 -6.535 6.625 -1.293 193 HZ3 TRP 21 3HZ TRP 21 -3.080 7.994 0.802 194 HH2 TRP 21 2HH TRP 21 -5.217 8.440 -0.290 195 H TYR 22 H TYR 22 0.198 4.051 1.062 196 HA TYR 22 HA TYR 22 -0.366 6.690 0.195 197 HB2 TYR 22 2HB TYR 22 0.831 5.535 2.418 198 HB3 TYR 22 3HB TYR 22 2.146 6.414 1.645 199 HD1 TYR 22 2HD TYR 22 0.601 8.710 0.507 200 HD2 TYR 22 1HD TYR 22 0.414 6.840 4.324 201 HE1 TYR 22 2HE TYR 22 -0.222 10.810 1.490 202 HE2 TYR 22 1HE TYR 22 -0.409 8.934 5.317 203 HH TYR 22 HH TYR 22 -1.399 10.971 4.760 204 H ILE 23 H ILE 23 2.273 4.439 -0.427 205 HA ILE 23 HA ILE 23 4.119 6.089 -1.636 206 HB ILE 23 HB ILE 23 3.394 3.221 -2.094 207 HG12 ILE 23 1HG1 ILE 23 5.746 2.929 -1.269 208 HG13 ILE 23 2HG1 ILE 23 5.826 4.670 -1.032 209 HG21 ILE 23 1HG2 ILE 23 5.326 4.862 -3.707 210 HG22 ILE 23 2HG2 ILE 23 5.453 3.109 -3.566 211 HG23 ILE 23 3HG2 ILE 23 4.015 3.834 -4.284 212 HD11 ILE 23 3HD1 ILE 23 4.459 4.623 0.786 213 HD12 ILE 23 1HD1 ILE 23 3.600 3.181 0.244 214 HD13 ILE 23 2HD1 ILE 23 5.218 3.039 0.932 215 H LYS 24 H LYS 24 1.461 4.339 -3.240 216 HA LYS 24 HA LYS 24 1.863 5.239 -5.824 217 HB2 LYS 24 1HB LYS 24 -0.434 4.190 -4.289 218 HB3 LYS 24 2HB LYS 24 -0.845 5.101 -5.736 219 HG2 LYS 24 1HG LYS 24 0.384 3.614 -7.123 220 HG3 LYS 24 2HG LYS 24 1.099 2.808 -5.724 221 HD2 LYS 24 1HD LYS 24 -1.820 2.818 -5.688 222 HD3 LYS 24 2HD LYS 24 -1.141 1.981 -7.085 223 HE2 LYS 24 1HE LYS 24 0.134 0.528 -5.680 224 HE3 LYS 24 2HE LYS 24 -0.283 1.462 -4.244 225 HZ1 LYS 24 3HZ LYS 24 -2.408 0.628 -4.208 226 HZ2 LYS 24 1HZ LYS 24 -1.547 -0.716 -4.772 227 HZ3 LYS 24 2HZ LYS 24 -2.421 0.245 -5.855 228 H LEU 25 H LEU 25 0.414 6.881 -3.099 229 HA LEU 25 HA LEU 25 -0.672 9.037 -4.653 230 HB2 LEU 25 1HB LEU 25 -0.457 8.340 -1.788 231 HB3 LEU 25 2HB LEU 25 -0.595 10.054 -2.174 232 HG LEU 25 HG LEU 25 -2.759 8.993 -1.627 233 HD11 LEU 25 1HD1 LEU 25 -2.587 9.890 -4.497 234 HD12 LEU 25 2HD1 LEU 25 -2.586 10.973 -3.107 235 HD13 LEU 25 3HD1 LEU 25 -3.996 9.967 -3.438 236 HD21 LEU 25 3HD2 LEU 25 -2.003 6.803 -2.809 237 HD22 LEU 25 1HD2 LEU 25 -2.664 7.572 -4.252 238 HD23 LEU 25 2HD2 LEU 25 -3.700 7.282 -2.855 239 H PHE 26 H PHE 26 2.329 8.366 -3.011 240 HA PHE 26 HA PHE 26 3.302 11.038 -2.959 241 HB2 PHE 26 2HB PHE 26 4.292 9.472 -1.454 242 HB3 PHE 26 3HB PHE 26 4.677 8.358 -2.762 243 HD1 PHE 26 1HD PHE 26 5.237 12.025 -2.497 244 HD2 PHE 26 2HD PHE 26 6.979 8.150 -2.755 245 HE1 PHE 26 1HE PHE 26 7.467 13.044 -2.702 246 HE2 PHE 26 2HE PHE 26 9.212 9.163 -2.960 247 HZ PHE 26 HZ PHE 26 9.459 11.613 -2.932 248 H ILE 27 H ILE 27 3.395 8.442 -5.305 249 HA ILE 27 HA ILE 27 5.404 9.457 -6.988 250 HB ILE 27 HB ILE 27 3.004 7.806 -7.788 251 HG12 ILE 27 1HG1 ILE 27 5.770 6.868 -7.007 252 HG13 ILE 27 2HG1 ILE 27 4.383 6.844 -5.925 253 HG21 ILE 27 1HG2 ILE 27 4.635 7.012 -9.568 254 HG22 ILE 27 2HG2 ILE 27 3.988 8.641 -9.754 255 HG23 ILE 27 3HG2 ILE 27 5.622 8.408 -9.134 256 HD11 ILE 27 3HD1 ILE 27 4.315 4.709 -6.687 257 HD12 ILE 27 1HD1 ILE 27 3.311 5.481 -7.914 258 HD13 ILE 27 2HD1 ILE 27 5.005 5.127 -8.255 259 H MET 28 H MET 28 2.019 10.241 -6.648 260 HA MET 28 HA MET 28 1.966 11.816 -9.081 261 HB2 MET 28 1HB MET 28 -0.112 11.558 -6.899 262 HB3 MET 28 2HB MET 28 -0.352 12.301 -8.475 263 HG2 MET 28 1HG MET 28 0.345 9.990 -9.401 264 HG3 MET 28 2HG MET 28 -0.030 9.416 -7.777 265 HE1 MET 28 3HE MET 28 -1.943 9.783 -6.585 266 HE2 MET 28 1HE MET 28 -3.326 10.759 -7.080 267 HE3 MET 28 2HE MET 28 -3.344 9.013 -7.330 268 H ILE 29 H ILE 29 1.585 12.454 -5.594 269 HA ILE 29 HA ILE 29 1.410 15.204 -5.666 270 HB ILE 29 HB ILE 29 2.818 13.531 -3.583 271 HG12 ILE 29 1HG1 ILE 29 0.084 14.648 -3.204 272 HG13 ILE 29 2HG1 ILE 29 0.250 13.264 -4.278 273 HG21 ILE 29 1HG2 ILE 29 2.157 15.491 -2.097 274 HG22 ILE 29 2HG2 ILE 29 3.505 15.743 -3.206 275 HG23 ILE 29 3HG2 ILE 29 1.912 16.393 -3.593 276 HD11 ILE 29 3HD1 ILE 29 1.610 12.280 -2.261 277 HD12 ILE 29 1HD1 ILE 29 0.665 13.454 -1.345 278 HD13 ILE 29 2HD1 ILE 29 -0.152 12.213 -2.299 279 H VAL 30 H VAL 30 4.319 13.186 -5.662 280 HA VAL 30 HA VAL 30 6.184 15.303 -5.501 281 HB VAL 30 HB VAL 30 6.719 12.907 -5.050 282 HG11 VAL 30 1HG1 VAL 30 7.084 11.360 -6.806 283 HG12 VAL 30 2HG1 VAL 30 5.498 12.077 -7.097 284 HG13 VAL 30 3HG1 VAL 30 6.893 12.605 -8.038 285 HG21 VAL 30 3HG2 VAL 30 8.439 14.678 -5.502 286 HG22 VAL 30 1HG2 VAL 30 8.963 13.029 -5.843 287 HG23 VAL 30 2HG2 VAL 30 8.502 14.098 -7.166 288 H GLY 31 H GLY 31 4.404 13.902 -8.149 289 HA2 GLY 31 1HA GLY 31 6.056 15.109 -10.191 290 HA3 GLY 31 2HA GLY 31 4.547 14.243 -10.442 291 H LYS 32 H LYS 32 3.402 16.101 -8.263 292 HA LYS 32 HA LYS 32 2.346 18.031 -10.102 293 HB2 LYS 32 1HB LYS 32 1.979 17.853 -7.106 294 HB3 LYS 32 2HB LYS 32 0.992 18.788 -8.221 295 HG2 LYS 32 1HG LYS 32 0.703 16.374 -9.327 296 HG3 LYS 32 2HG LYS 32 0.990 15.891 -7.653 297 HD2 LYS 32 1HD LYS 32 -0.786 17.818 -7.203 298 HD3 LYS 32 2HD LYS 32 -1.281 17.391 -8.843 299 HE2 LYS 32 1HE LYS 32 -1.034 14.935 -7.746 300 HE3 LYS 32 2HE LYS 32 -1.509 15.869 -6.329 301 HZ1 LYS 32 3HZ LYS 32 -3.168 14.881 -8.289 302 HZ2 LYS 32 1HZ LYS 32 -3.106 16.548 -8.577 303 HZ3 LYS 32 2HZ LYS 32 -3.585 15.969 -7.062 304 H LYS 33 H LYS 33 4.865 17.971 -7.723 305 HA LYS 33 HA LYS 33 5.120 20.880 -7.740 306 HB2 LYS 33 1HB LYS 33 5.347 19.388 -5.647 307 HB3 LYS 33 2HB LYS 33 6.931 18.970 -6.284 308 HG2 LYS 33 1HG LYS 33 7.699 21.195 -6.102 309 HG3 LYS 33 2HG LYS 33 6.070 21.809 -5.813 310 HD2 LYS 33 1HD LYS 33 6.077 21.188 -3.628 311 HD3 LYS 33 2HD LYS 33 7.085 19.769 -3.923 312 HE2 LYS 33 1HE LYS 33 9.015 21.322 -4.278 313 HE3 LYS 33 2HE LYS 33 7.973 22.643 -3.752 314 HZ1 LYS 33 3HZ LYS 33 7.642 21.372 -1.650 315 HZ2 LYS 33 1HZ LYS 33 9.222 21.928 -1.888 316 HZ3 LYS 33 2HZ LYS 33 8.849 20.301 -2.159 317 H LYS 34 H LYS 34 5.573 19.725 -10.215 318 HA LYS 34 HA LYS 34 8.038 20.820 -10.941 319 HB2 LYS 34 1HB LYS 34 9.155 18.627 -11.641 320 HB3 LYS 34 2HB LYS 34 9.207 19.046 -9.935 321 HG2 LYS 34 1HG LYS 34 7.454 17.492 -9.436 322 HG3 LYS 34 2HG LYS 34 7.196 17.168 -11.152 323 HD2 LYS 34 1HD LYS 34 8.481 15.374 -10.117 324 HD3 LYS 34 2HD LYS 34 9.457 16.234 -11.311 325 HE2 LYS 34 1HE LYS 34 10.656 15.713 -9.187 326 HE3 LYS 34 2HE LYS 34 10.623 17.426 -9.600 327 HZ1 LYS 34 3HZ LYS 34 10.136 16.851 -7.216 328 HZ2 LYS 34 1HZ LYS 34 8.667 16.199 -7.747 329 HZ3 LYS 34 2HZ LYS 34 8.995 17.842 -7.976 330 H LYS 35 H LYS 35 5.524 18.473 -11.643 331 HA LYS 35 HA LYS 35 4.352 17.996 -13.532 332 HB2 LYS 35 1HB LYS 35 4.767 20.773 -13.538 333 HB3 LYS 35 2HB LYS 35 5.125 20.244 -15.176 334 HG2 LYS 35 1HG LYS 35 2.825 20.839 -15.084 335 HG3 LYS 35 2HG LYS 35 2.920 19.081 -15.206 336 HD2 LYS 35 1HD LYS 35 2.237 18.762 -13.022 337 HD3 LYS 35 2HD LYS 35 2.767 20.366 -12.513 338 HE2 LYS 35 1HE LYS 35 0.490 20.653 -12.545 339 HE3 LYS 35 2HE LYS 35 0.910 21.168 -14.178 340 HZ1 LYS 35 3HZ LYS 35 -0.883 19.202 -13.472 341 HZ2 LYS 35 1HZ LYS 35 0.456 18.369 -14.086 342 HZ3 LYS 35 2HZ LYS 35 -0.313 19.544 -15.028 343 H LYS 36 H LYS 36 4.604 17.849 -16.045 344 HA LYS 36 HA LYS 36 7.108 16.472 -16.508 345 HB2 LYS 36 1HB LYS 36 4.477 16.656 -17.894 346 HB3 LYS 36 2HB LYS 36 5.880 16.207 -18.855 347 HG2 LYS 36 1HG LYS 36 6.262 14.266 -17.574 348 HG3 LYS 36 2HG LYS 36 5.149 14.792 -16.309 349 HD2 LYS 36 1HD LYS 36 3.278 14.591 -17.888 350 HD3 LYS 36 2HD LYS 36 4.399 14.040 -19.136 351 HE2 LYS 36 1HE LYS 36 3.338 12.118 -18.186 352 HE3 LYS 36 2HE LYS 36 5.015 12.141 -17.644 353 HZ1 LYS 36 3HZ LYS 36 3.533 11.604 -15.828 354 HZ2 LYS 36 1HZ LYS 36 2.665 13.038 -16.065 355 HZ3 LYS 36 2HZ LYS 36 4.274 13.098 -15.543 Start of MODEL 20 1 H1 LYS 1 H LYS 1 2.289 -18.890 4.492 2 HA LYS 1 HA LYS 1 4.629 -20.042 3.126 3 HB2 LYS 1 1HB LYS 1 4.268 -20.052 6.120 4 HB3 LYS 1 2HB LYS 1 5.699 -20.508 5.204 5 HG2 LYS 1 1HG LYS 1 5.825 -18.112 4.432 6 HG3 LYS 1 2HG LYS 1 4.579 -17.753 5.629 7 HD2 LYS 1 1HD LYS 1 6.492 -17.308 6.829 8 HD3 LYS 1 2HD LYS 1 6.207 -18.995 7.259 9 HE2 LYS 1 1HE LYS 1 7.821 -18.592 4.839 10 HE3 LYS 1 2HE LYS 1 8.563 -18.004 6.327 11 HZ1 LYS 1 3HZ LYS 1 7.983 -20.270 7.269 12 HZ2 LYS 1 1HZ LYS 1 9.240 -20.215 6.139 13 HZ3 LYS 1 2HZ LYS 1 7.707 -20.758 5.673 14 H LYS 2 H LYS 2 4.010 -21.925 2.303 15 HA LYS 2 HA LYS 2 3.140 -24.018 2.107 16 HB2 LYS 2 1HB LYS 2 3.878 -23.746 4.869 17 HB3 LYS 2 2HB LYS 2 2.412 -24.709 4.753 18 HG2 LYS 2 1HG LYS 2 3.897 -25.839 2.802 19 HG3 LYS 2 2HG LYS 2 5.159 -25.337 3.929 20 HD2 LYS 2 1HD LYS 2 2.728 -26.828 4.863 21 HD3 LYS 2 2HD LYS 2 4.136 -27.676 4.220 22 HE2 LYS 2 1HE LYS 2 4.969 -27.599 6.286 23 HE3 LYS 2 2HE LYS 2 5.213 -25.873 6.020 24 HZ1 LYS 2 3HZ LYS 2 3.905 -25.651 7.801 25 HZ2 LYS 2 1HZ LYS 2 3.290 -27.223 7.691 26 HZ3 LYS 2 2HZ LYS 2 2.623 -25.987 6.749 27 H LYS 3 H LYS 3 1.129 -25.326 2.471 28 HA LYS 3 HA LYS 3 -1.132 -25.495 2.278 29 HB2 LYS 3 1HB LYS 3 -0.573 -24.286 4.764 30 HB3 LYS 3 2HB LYS 3 -1.944 -23.412 4.093 31 HG2 LYS 3 1HG LYS 3 -2.688 -25.975 3.624 32 HG3 LYS 3 2HG LYS 3 -1.769 -26.153 5.120 33 HD2 LYS 3 1HD LYS 3 -3.370 -23.869 5.454 34 HD3 LYS 3 2HD LYS 3 -4.409 -25.094 4.722 35 HE2 LYS 3 1HE LYS 3 -4.681 -25.774 6.850 36 HE3 LYS 3 2HE LYS 3 -3.133 -26.576 6.586 37 HZ1 LYS 3 3HZ LYS 3 -2.399 -24.088 7.340 38 HZ2 LYS 3 1HZ LYS 3 -2.478 -25.430 8.367 39 HZ3 LYS 3 2HZ LYS 3 -3.776 -24.349 8.288 40 H LYS 4 H LYS 4 -3.232 -23.818 2.327 41 HA LYS 4 HA LYS 4 -2.581 -21.502 0.668 42 HB2 LYS 4 1HB LYS 4 -4.465 -22.186 -0.901 43 HB3 LYS 4 2HB LYS 4 -2.962 -23.089 -1.037 44 HG2 LYS 4 1HG LYS 4 -3.945 -25.011 -0.498 45 HG3 LYS 4 2HG LYS 4 -4.825 -24.284 0.849 46 HD2 LYS 4 1HD LYS 4 -6.595 -23.600 -0.535 47 HD3 LYS 4 2HD LYS 4 -5.647 -23.831 -2.005 48 HE2 LYS 4 1HE LYS 4 -6.240 -25.974 -2.156 49 HE3 LYS 4 2HE LYS 4 -5.861 -26.274 -0.460 50 HZ1 LYS 4 3HZ LYS 4 -8.345 -26.277 -1.539 51 HZ2 LYS 4 1HZ LYS 4 -8.261 -24.740 -0.836 52 HZ3 LYS 4 2HZ LYS 4 -7.996 -26.119 0.109 53 H ASP 5 H ASP 5 -3.379 -19.967 1.983 54 HA ASP 5 HA ASP 5 -6.241 -20.102 2.616 55 HB2 ASP 5 1HB ASP 5 -5.535 -18.876 4.821 56 HB3 ASP 5 2HB ASP 5 -5.446 -20.633 4.726 57 H LYS 6 H LYS 6 -7.264 -18.363 1.894 58 HA LYS 6 HA LYS 6 -5.784 -16.093 0.917 59 HB2 LYS 6 1HB LYS 6 -7.635 -16.813 -0.409 60 HB3 LYS 6 2HB LYS 6 -8.723 -16.769 0.972 61 HG2 LYS 6 1HG LYS 6 -7.490 -14.195 0.486 62 HG3 LYS 6 2HG LYS 6 -8.376 -14.788 -0.921 63 HD2 LYS 6 1HD LYS 6 -9.707 -15.047 1.713 64 HD3 LYS 6 2HD LYS 6 -9.540 -13.417 1.058 65 HE2 LYS 6 1HE LYS 6 -10.757 -15.756 -0.407 66 HE3 LYS 6 2HE LYS 6 -11.672 -14.503 0.432 67 HZ1 LYS 6 3HZ LYS 6 -10.692 -14.459 -2.181 68 HZ2 LYS 6 1HZ LYS 6 -9.852 -13.274 -1.313 69 HZ3 LYS 6 2HZ LYS 6 -11.542 -13.245 -1.366 70 H TRP 7 H TRP 7 -8.260 -16.629 3.414 71 HA TRP 7 HA TRP 7 -8.377 -13.995 4.357 72 HB2 TRP 7 2HB TRP 7 -8.927 -16.629 5.729 73 HB3 TRP 7 3HB TRP 7 -9.239 -15.068 6.484 74 HD1 TRP 7 1HD TRP 7 -11.125 -17.617 4.899 75 HE1 TRP 7 1HE TRP 7 -13.234 -16.721 3.727 76 HE3 TRP 7 3HE TRP 7 -9.907 -12.655 4.720 77 HZ2 TRP 7 2HZ TRP 7 -14.247 -14.239 2.842 78 HZ3 TRP 7 3HZ TRP 7 -11.501 -11.086 3.693 79 HH2 TRP 7 2HH TRP 7 -13.625 -11.865 2.775 80 H ALA 8 H ALA 8 -6.559 -16.766 5.675 81 HA ALA 8 HA ALA 8 -5.236 -15.434 7.717 82 HB1 ALA 8 3HB ALA 8 -5.243 -17.989 6.765 83 HB2 ALA 8 1HB ALA 8 -3.609 -17.459 6.368 84 HB3 ALA 8 2HB ALA 8 -4.179 -17.384 8.035 85 H SER 9 H SER 9 -4.295 -15.824 4.321 86 HA SER 9 HA SER 9 -1.788 -14.525 4.570 87 HB2 SER 9 1HB SER 9 -3.565 -15.109 2.200 88 HB3 SER 9 2HB SER 9 -2.006 -14.297 2.038 89 HG SER 9 HG SER 9 -1.740 -16.514 1.752 90 H LEU 10 H LEU 10 -5.039 -13.390 4.178 91 HA LEU 10 HA LEU 10 -4.650 -10.885 3.056 92 HB2 LEU 10 1HB LEU 10 -6.820 -12.085 3.703 93 HB3 LEU 10 2HB LEU 10 -6.586 -11.371 5.297 94 HG LEU 10 HG LEU 10 -6.702 -9.677 2.820 95 HD11 LEU 10 1HD1 LEU 10 -9.115 -10.029 4.510 96 HD12 LEU 10 2HD1 LEU 10 -8.748 -11.277 3.320 97 HD13 LEU 10 3HD1 LEU 10 -8.977 -9.606 2.803 98 HD21 LEU 10 3HD2 LEU 10 -6.339 -8.052 4.285 99 HD22 LEU 10 1HD2 LEU 10 -6.314 -9.216 5.608 100 HD23 LEU 10 2HD2 LEU 10 -7.837 -8.478 5.112 101 H TRP 11 H TRP 11 -3.962 -12.020 6.275 102 HA TRP 11 HA TRP 11 -3.660 -9.432 7.452 103 HB2 TRP 11 2HB TRP 11 -2.350 -11.923 8.508 104 HB3 TRP 11 3HB TRP 11 -2.996 -10.550 9.402 105 HD1 TRP 11 1HD TRP 11 -3.770 -13.848 9.513 106 HE1 TRP 11 1HE TRP 11 -6.284 -14.395 9.568 107 HE3 TRP 11 3HE TRP 11 -5.603 -9.421 7.730 108 HZ2 TRP 11 2HZ TRP 11 -8.723 -13.119 8.938 109 HZ3 TRP 11 3HZ TRP 11 -8.038 -9.166 7.485 110 HH2 TRP 11 2HH TRP 11 -9.564 -10.978 8.077 111 H ASN 12 H ASN 12 -1.556 -11.680 5.792 112 HA ASN 12 HA ASN 12 0.835 -10.184 6.463 113 HB2 ASN 12 1HB ASN 12 0.375 -12.582 4.679 114 HB3 ASN 12 2HB ASN 12 1.954 -11.851 4.952 115 HD21 ASN 12 2HD2 ASN 12 -0.815 -13.176 6.718 116 HD22 ASN 12 1HD2 ASN 12 0.117 -13.911 7.972 117 H TRP 13 H TRP 13 -1.513 -10.316 3.939 118 HA TRP 13 HA TRP 13 0.166 -8.967 2.000 119 HB2 TRP 13 2HB TRP 13 -1.402 -10.536 1.101 120 HB3 TRP 13 3HB TRP 13 -2.738 -9.799 1.982 121 HD1 TRP 13 1HD TRP 13 -0.139 -8.428 -0.577 122 HE1 TRP 13 1HE TRP 13 -1.418 -7.018 -2.309 123 HE3 TRP 13 3HE TRP 13 -4.878 -8.985 1.261 124 HZ2 TRP 13 2HZ TRP 13 -4.082 -6.243 -2.827 125 HZ3 TRP 13 3HZ TRP 13 -6.735 -7.876 0.089 126 HH2 TRP 13 2HH TRP 13 -6.343 -6.534 -1.912 127 H PHE 14 H PHE 14 -2.901 -8.193 3.656 128 HA PHE 14 HA PHE 14 -3.085 -5.540 2.864 129 HB2 PHE 14 2HB PHE 14 -4.947 -6.653 3.934 130 HB3 PHE 14 3HB PHE 14 -4.025 -6.854 5.420 131 HD1 PHE 14 2HD PHE 14 -5.006 -4.075 3.124 132 HD2 PHE 14 1HD PHE 14 -4.558 -5.437 7.132 133 HE1 PHE 14 2HE PHE 14 -5.875 -1.926 3.948 134 HE2 PHE 14 1HE PHE 14 -5.428 -3.289 7.962 135 HZ PHE 14 HZ PHE 14 -6.086 -1.530 6.369 136 H ASP 15 H ASP 15 -1.073 -7.013 5.273 137 HA ASP 15 HA ASP 15 -0.456 -4.718 6.794 138 HB2 ASP 15 1HB ASP 15 0.426 -7.461 6.639 139 HB3 ASP 15 2HB ASP 15 1.809 -6.386 6.817 140 H ILE 16 H ILE 16 1.131 -6.200 3.989 141 HA ILE 16 HA ILE 16 3.224 -4.261 3.871 142 HB ILE 16 HB ILE 16 2.257 -6.150 1.721 143 HG12 ILE 16 1HG1 ILE 16 4.617 -6.485 3.573 144 HG13 ILE 16 2HG1 ILE 16 3.034 -7.178 3.907 145 HG21 ILE 16 1HG2 ILE 16 3.543 -4.392 0.735 146 HG22 ILE 16 2HG2 ILE 16 4.780 -4.526 1.984 147 HG23 ILE 16 3HG2 ILE 16 4.561 -5.830 0.817 148 HD11 ILE 16 3HD1 ILE 16 3.329 -8.190 1.508 149 HD12 ILE 16 1HD1 ILE 16 5.039 -7.928 1.850 150 HD13 ILE 16 2HD1 ILE 16 4.072 -8.947 2.917 151 H THR 17 H THR 17 -0.013 -4.436 2.666 152 HA THR 17 HA THR 17 0.368 -2.342 0.700 153 HB THR 17 HB THR 17 -1.932 -2.604 0.141 154 HG1 THR 17 1HG THR 17 -3.085 -2.739 1.964 155 HG21 THR 17 3HG2 THR 17 -1.591 -4.578 -0.841 156 HG22 THR 17 1HG2 THR 17 -1.696 -5.425 0.701 157 HG23 THR 17 2HG2 THR 17 -0.153 -4.764 0.161 158 H ASN 18 H ASN 18 -0.341 -2.566 4.027 159 HA ASN 18 HA ASN 18 -2.033 -0.445 4.523 160 HB2 ASN 18 1HB ASN 18 0.269 -1.595 6.078 161 HB3 ASN 18 2HB ASN 18 -0.628 -0.209 6.693 162 HD21 ASN 18 2HD2 ASN 18 -0.564 -2.507 8.124 163 HD22 ASN 18 1HD2 ASN 18 -2.112 -3.273 8.095 164 H TRP 19 H TRP 19 1.531 -0.317 4.454 165 HA TRP 19 HA TRP 19 1.496 2.572 4.441 166 HB2 TRP 19 2HB TRP 19 3.841 2.466 4.662 167 HB3 TRP 19 3HB TRP 19 3.246 1.086 5.582 168 HD1 TRP 19 1HD TRP 19 3.092 -1.254 3.786 169 HE1 TRP 19 1HE TRP 19 5.057 -2.135 2.377 170 HE3 TRP 19 3HE TRP 19 5.948 2.983 3.638 171 HZ2 TRP 19 2HZ TRP 19 7.497 -1.163 1.341 172 HZ3 TRP 19 3HZ TRP 19 8.084 2.923 2.418 173 HH2 TRP 19 2HH TRP 19 8.841 0.893 1.294 174 H LEU 20 H LEU 20 1.874 -0.024 2.139 175 HA LEU 20 HA LEU 20 3.065 1.323 0.018 176 HB2 LEU 20 1HB LEU 20 2.473 -1.152 0.251 177 HB3 LEU 20 2HB LEU 20 0.873 -0.699 -0.334 178 HG LEU 20 HG LEU 20 2.165 0.298 -2.351 179 HD11 LEU 20 1HD1 LEU 20 4.355 -0.343 -0.946 180 HD12 LEU 20 2HD1 LEU 20 4.319 -0.274 -2.707 181 HD13 LEU 20 3HD1 LEU 20 4.162 -1.825 -1.883 182 HD21 LEU 20 3HD2 LEU 20 0.778 -1.967 -1.986 183 HD22 LEU 20 1HD2 LEU 20 2.349 -2.649 -2.405 184 HD23 LEU 20 2HD2 LEU 20 1.547 -1.539 -3.516 185 H TRP 21 H TRP 21 -0.132 1.579 1.303 186 HA TRP 21 HA TRP 21 -1.509 2.579 -0.919 187 HB2 TRP 21 2HB TRP 21 -2.599 1.884 1.190 188 HB3 TRP 21 3HB TRP 21 -1.918 3.296 1.993 189 HD1 TRP 21 1HD TRP 21 -4.837 2.201 -0.087 190 HE1 TRP 21 1HE TRP 21 -6.392 4.203 -0.528 191 HE3 TRP 21 3HE TRP 21 -1.799 5.966 1.566 192 HZ2 TRP 21 2HZ TRP 21 -6.337 7.009 -0.217 193 HZ3 TRP 21 3HZ TRP 21 -2.625 8.280 1.459 194 HH2 TRP 21 2HH TRP 21 -4.848 8.789 0.585 195 H TYR 22 H TYR 22 0.511 4.201 1.479 196 HA TYR 22 HA TYR 22 -0.038 6.842 0.599 197 HB2 TYR 22 2HB TYR 22 1.345 5.692 2.717 198 HB3 TYR 22 3HB TYR 22 2.601 6.497 1.782 199 HD1 TYR 22 2HD TYR 22 1.036 8.827 0.750 200 HD2 TYR 22 1HD TYR 22 1.177 7.057 4.617 201 HE1 TYR 22 2HE TYR 22 0.404 10.982 1.754 202 HE2 TYR 22 1HE TYR 22 0.545 9.207 5.631 203 HH TYR 22 HH TYR 22 0.578 11.560 5.129 204 H ILE 23 H ILE 23 2.422 4.460 -0.231 205 HA ILE 23 HA ILE 23 4.195 5.995 -1.678 206 HB ILE 23 HB ILE 23 3.306 3.151 -1.969 207 HG12 ILE 23 1HG1 ILE 23 5.718 2.774 -1.389 208 HG13 ILE 23 2HG1 ILE 23 5.898 4.517 -1.219 209 HG21 ILE 23 1HG2 ILE 23 5.120 4.662 -3.828 210 HG22 ILE 23 2HG2 ILE 23 5.190 2.910 -3.648 211 HG23 ILE 23 3HG2 ILE 23 3.712 3.678 -4.230 212 HD11 ILE 23 3HD1 ILE 23 4.731 4.583 0.735 213 HD12 ILE 23 1HD1 ILE 23 3.762 3.166 0.336 214 HD13 ILE 23 2HD1 ILE 23 5.438 2.972 0.851 215 H LYS 24 H LYS 24 1.312 4.322 -2.938 216 HA LYS 24 HA LYS 24 1.469 5.136 -5.576 217 HB2 LYS 24 1HB LYS 24 -0.693 4.235 -3.774 218 HB3 LYS 24 2HB LYS 24 -1.216 5.122 -5.200 219 HG2 LYS 24 1HG LYS 24 -0.226 3.538 -6.658 220 HG3 LYS 24 2HG LYS 24 0.632 2.754 -5.330 221 HD2 LYS 24 1HD LYS 24 -2.264 2.868 -4.950 222 HD3 LYS 24 2HD LYS 24 -1.775 1.948 -6.375 223 HE2 LYS 24 1HE LYS 24 -0.046 0.898 -4.693 224 HE3 LYS 24 2HE LYS 24 -1.218 1.438 -3.491 225 HZ1 LYS 24 3HZ LYS 24 -1.573 -0.538 -5.654 226 HZ2 LYS 24 1HZ LYS 24 -2.909 0.236 -4.963 227 HZ3 LYS 24 2HZ LYS 24 -1.887 -0.707 -4.001 228 H LEU 25 H LEU 25 0.374 6.908 -2.767 229 HA LEU 25 HA LEU 25 -0.780 9.069 -4.258 230 HB2 LEU 25 1HB LEU 25 -0.276 8.440 -1.414 231 HB3 LEU 25 2HB LEU 25 -0.381 10.149 -1.836 232 HG LEU 25 HG LEU 25 -2.513 9.205 -1.020 233 HD11 LEU 25 1HD1 LEU 25 -3.904 10.176 -2.725 234 HD12 LEU 25 2HD1 LEU 25 -2.616 10.018 -3.920 235 HD13 LEU 25 3HD1 LEU 25 -2.430 11.134 -2.567 236 HD21 LEU 25 3HD2 LEU 25 -2.767 7.704 -3.592 237 HD22 LEU 25 1HD2 LEU 25 -3.661 7.507 -2.085 238 HD23 LEU 25 2HD2 LEU 25 -1.992 6.948 -2.201 239 H PHE 26 H PHE 26 2.356 8.314 -2.932 240 HA PHE 26 HA PHE 26 3.435 10.942 -3.083 241 HB2 PHE 26 2HB PHE 26 4.522 9.390 -1.634 242 HB3 PHE 26 3HB PHE 26 4.712 8.212 -2.928 243 HD1 PHE 26 1HD PHE 26 5.454 11.856 -2.877 244 HD2 PHE 26 2HD PHE 26 6.989 7.896 -3.168 245 HE1 PHE 26 1HE PHE 26 7.690 12.762 -3.367 246 HE2 PHE 26 2HE PHE 26 9.226 8.795 -3.658 247 HZ PHE 26 HZ PHE 26 9.578 11.230 -3.756 248 H ILE 27 H ILE 27 3.185 8.261 -5.322 249 HA ILE 27 HA ILE 27 5.032 9.137 -7.248 250 HB ILE 27 HB ILE 27 2.501 7.557 -7.722 251 HG12 ILE 27 1HG1 ILE 27 5.303 6.539 -7.208 252 HG13 ILE 27 2HG1 ILE 27 4.039 6.603 -5.985 253 HG21 ILE 27 1HG2 ILE 27 4.588 6.791 -9.456 254 HG22 ILE 27 2HG2 ILE 27 3.072 7.591 -9.865 255 HG23 ILE 27 3HG2 ILE 27 4.504 8.552 -9.496 256 HD11 ILE 27 3HD1 ILE 27 3.690 4.485 -6.627 257 HD12 ILE 27 1HD1 ILE 27 2.765 5.239 -7.926 258 HD13 ILE 27 2HD1 ILE 27 4.430 4.729 -8.209 259 H MET 28 H MET 28 1.739 10.074 -6.575 260 HA MET 28 HA MET 28 1.476 11.561 -9.050 261 HB2 MET 28 1HB MET 28 -0.354 11.468 -6.645 262 HB3 MET 28 2HB MET 28 -0.739 12.169 -8.211 263 HG2 MET 28 1HG MET 28 -0.229 9.794 -9.114 264 HG3 MET 28 2HG MET 28 -0.470 9.301 -7.439 265 HE1 MET 28 3HE MET 28 -2.807 11.116 -6.331 266 HE2 MET 28 1HE MET 28 -4.155 10.051 -6.731 267 HE3 MET 28 2HE MET 28 -2.631 9.369 -6.163 268 H ILE 29 H ILE 29 1.505 12.343 -5.572 269 HA ILE 29 HA ILE 29 1.433 15.095 -5.740 270 HB ILE 29 HB ILE 29 2.990 13.439 -3.751 271 HG12 ILE 29 1HG1 ILE 29 0.361 14.689 -3.129 272 HG13 ILE 29 2HG1 ILE 29 0.355 13.259 -4.156 273 HG21 ILE 29 1HG2 ILE 29 2.251 15.656 -2.404 274 HG22 ILE 29 2HG2 ILE 29 3.813 15.461 -3.197 275 HG23 ILE 29 3HG2 ILE 29 2.513 16.332 -4.012 276 HD11 ILE 29 3HD1 ILE 29 1.087 13.542 -1.294 277 HD12 ILE 29 1HD1 ILE 29 0.127 12.302 -2.104 278 HD13 ILE 29 2HD1 ILE 29 1.886 12.296 -2.253 279 H VAL 30 H VAL 30 4.235 12.948 -5.984 280 HA VAL 30 HA VAL 30 6.190 14.990 -6.109 281 HB VAL 30 HB VAL 30 6.680 12.597 -5.604 282 HG11 VAL 30 1HG1 VAL 30 5.212 11.736 -7.472 283 HG12 VAL 30 2HG1 VAL 30 6.525 12.151 -8.575 284 HG13 VAL 30 3HG1 VAL 30 6.786 10.956 -7.304 285 HG21 VAL 30 3HG2 VAL 30 8.763 13.246 -6.018 286 HG22 VAL 30 1HG2 VAL 30 8.552 12.795 -7.710 287 HG23 VAL 30 2HG2 VAL 30 8.185 14.437 -7.183 288 H GLY 31 H GLY 31 4.092 13.540 -8.488 289 HA2 GLY 31 1HA GLY 31 5.532 14.442 -10.784 290 HA3 GLY 31 2HA GLY 31 3.874 13.863 -10.759 291 H LYS 32 H LYS 32 3.363 15.965 -8.591 292 HA LYS 32 HA LYS 32 2.115 17.874 -10.145 293 HB2 LYS 32 1HB LYS 32 3.209 18.103 -7.338 294 HB3 LYS 32 2HB LYS 32 2.166 19.310 -8.080 295 HG2 LYS 32 1HG LYS 32 0.640 17.173 -8.485 296 HG3 LYS 32 2HG LYS 32 1.523 16.605 -7.067 297 HD2 LYS 32 1HD LYS 32 0.873 18.671 -5.879 298 HD3 LYS 32 2HD LYS 32 -0.073 19.157 -7.288 299 HE2 LYS 32 1HE LYS 32 -0.504 16.648 -5.668 300 HE3 LYS 32 2HE LYS 32 -1.458 18.124 -5.533 301 HZ1 LYS 32 3HZ LYS 32 -1.639 16.015 -7.456 302 HZ2 LYS 32 1HZ LYS 32 -1.517 17.533 -8.193 303 HZ3 LYS 32 2HZ LYS 32 -2.756 17.229 -7.081 304 H LYS 33 H LYS 33 5.410 17.844 -8.898 305 HA LYS 33 HA LYS 33 5.965 20.478 -9.987 306 HB2 LYS 33 1HB LYS 33 6.940 19.221 -7.817 307 HB3 LYS 33 2HB LYS 33 8.171 18.766 -8.987 308 HG2 LYS 33 1HG LYS 33 9.050 20.698 -8.119 309 HG3 LYS 33 2HG LYS 33 8.197 21.312 -9.538 310 HD2 LYS 33 1HD LYS 33 6.221 21.699 -7.970 311 HD3 LYS 33 2HD LYS 33 7.364 21.439 -6.651 312 HE2 LYS 33 1HE LYS 33 8.277 23.464 -6.906 313 HE3 LYS 33 2HE LYS 33 8.350 23.303 -8.660 314 HZ1 LYS 33 3HZ LYS 33 5.776 23.672 -8.409 315 HZ2 LYS 33 1HZ LYS 33 6.848 24.979 -8.478 316 HZ3 LYS 33 2HZ LYS 33 6.248 24.455 -6.986 317 H LYS 34 H LYS 34 6.364 17.146 -10.842 318 HA LYS 34 HA LYS 34 8.363 17.621 -12.860 319 HB2 LYS 34 1HB LYS 34 7.170 15.345 -11.590 320 HB3 LYS 34 2HB LYS 34 7.043 15.157 -13.334 321 HG2 LYS 34 1HG LYS 34 9.163 14.541 -13.437 322 HG3 LYS 34 2HG LYS 34 9.662 16.078 -12.725 323 HD2 LYS 34 1HD LYS 34 9.798 15.208 -10.607 324 HD3 LYS 34 2HD LYS 34 8.587 13.963 -10.925 325 HE2 LYS 34 1HE LYS 34 10.557 12.745 -10.799 326 HE3 LYS 34 2HE LYS 34 10.356 12.984 -12.534 327 HZ1 LYS 34 3HZ LYS 34 12.588 13.567 -11.127 328 HZ2 LYS 34 1HZ LYS 34 11.843 15.082 -11.248 329 HZ3 LYS 34 2HZ LYS 34 12.203 14.203 -12.647 330 H LYS 35 H LYS 35 7.871 18.691 -14.655 331 HA LYS 35 HA LYS 35 5.720 17.785 -16.337 332 HB2 LYS 35 1HB LYS 35 4.504 19.854 -16.474 333 HB3 LYS 35 2HB LYS 35 4.586 19.375 -14.783 334 HG2 LYS 35 1HG LYS 35 6.712 20.932 -14.800 335 HG3 LYS 35 2HG LYS 35 5.878 21.656 -16.176 336 HD2 LYS 35 1HD LYS 35 4.518 21.182 -13.536 337 HD3 LYS 35 2HD LYS 35 5.410 22.664 -13.886 338 HE2 LYS 35 1HE LYS 35 3.766 22.281 -16.099 339 HE3 LYS 35 2HE LYS 35 2.758 21.859 -14.715 340 HZ1 LYS 35 3HZ LYS 35 2.454 24.023 -14.429 341 HZ2 LYS 35 1HZ LYS 35 3.614 24.420 -15.595 342 HZ3 LYS 35 2HZ LYS 35 4.082 24.159 -13.991 343 H LYS 36 H LYS 36 8.639 18.067 -16.399 344 HA LYS 36 HA LYS 36 8.850 19.785 -18.783 345 HB2 LYS 36 1HB LYS 36 11.236 20.156 -18.150 346 HB3 LYS 36 2HB LYS 36 10.084 20.855 -17.019 347 HG2 LYS 36 1HG LYS 36 10.616 18.264 -16.086 348 HG3 LYS 36 2HG LYS 36 12.173 18.959 -16.542 349 HD2 LYS 36 1HD LYS 36 10.267 20.616 -14.960 350 HD3 LYS 36 2HD LYS 36 11.166 19.339 -14.139 351 HE2 LYS 36 1HE LYS 36 12.958 20.787 -15.816 352 HE3 LYS 36 2HE LYS 36 12.042 21.939 -14.846 353 HZ1 LYS 36 3HZ LYS 36 12.653 20.578 -12.872 354 HZ2 LYS 36 1HZ LYS 36 13.970 21.326 -13.629 355 HZ3 LYS 36 2HZ LYS 36 13.686 19.675 -13.862
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