NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
518264 | 2lgq | 17821 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -19.175 -30.083 -0.894 2 H2 GLY 1 H2 GLY 1 -18.606 -30.883 0.420 3 H3 GLY 1 H3 GLY 1 -20.010 -30.019 0.523 4 HA2 GLY 1 HA2 GLY 1 -19.524 -32.448 -1.052 5 HA3 GLY 1 HA3 GLY 1 -20.510 -32.351 0.422 6 H SER 2 H SER 2 -21.036 -33.069 -2.477 7 HA SER 2 HA SER 2 -22.518 -32.906 -4.139 8 HB2 SER 2 HB2 SER 2 -24.799 -32.413 -3.721 9 HB3 SER 2 HB3 SER 2 -24.132 -33.243 -2.308 10 HG SER 2 HG SER 2 -23.757 -30.954 -1.542 11 H PHE 3 H PHE 3 -23.632 -31.564 -5.813 12 HA PHE 3 HA PHE 3 -22.017 -29.351 -6.466 13 HB2 PHE 3 HB2 PHE 3 -23.147 -30.631 -8.167 14 HB3 PHE 3 HB3 PHE 3 -24.728 -30.156 -7.547 15 HD1 PHE 3 HD2 PHE 3 -21.596 -28.767 -9.072 16 HD2 PHE 3 HD1 PHE 3 -25.772 -28.158 -8.307 17 HE1 PHE 3 HE2 PHE 3 -21.549 -26.720 -10.475 18 HE2 PHE 3 HE1 PHE 3 -25.749 -26.127 -9.733 19 HZ PHE 3 HZ PHE 3 -23.627 -25.398 -10.820 20 H THR 4 H THR 4 -22.081 -27.268 -6.265 21 HA THR 4 HA THR 4 -24.451 -25.759 -5.389 22 HB THR 4 HB THR 4 -22.941 -24.372 -3.867 23 HG1 THR 4 HG1 THR 4 -21.195 -25.430 -2.998 24 HG21 THR 4 HG21 THR 4 -24.689 -25.933 -2.996 25 HG22 THR 4 HG22 THR 4 -23.292 -25.770 -1.921 26 HG23 THR 4 HG23 THR 4 -23.464 -27.223 -2.930 27 H MET 5 H MET 5 -24.419 -23.607 -5.951 28 HA MET 5 HA MET 5 -23.095 -23.160 -8.507 29 HB2 MET 5 HB2 MET 5 -25.347 -21.788 -6.989 30 HB3 MET 5 HB3 MET 5 -24.804 -21.259 -8.576 31 HG2 MET 5 HG2 MET 5 -25.294 -23.444 -9.551 32 HG3 MET 5 HG3 MET 5 -25.743 -24.085 -7.975 33 HE1 MET 5 HE1 MET 5 -26.859 -20.494 -9.496 34 HE2 MET 5 HE2 MET 5 -26.671 -21.627 -10.854 35 HE3 MET 5 HE3 MET 5 -28.285 -21.052 -10.392 36 HA PRO 6 HA PRO 6 -20.089 -20.139 -7.779 37 HB2 PRO 6 HB2 PRO 6 -21.652 -18.102 -9.375 38 HB3 PRO 6 HB3 PRO 6 -19.902 -18.500 -9.453 39 HG2 PRO 6 HG2 PRO 6 -21.568 -19.561 -11.283 40 HG3 PRO 6 HG3 PRO 6 -20.362 -20.626 -10.484 41 HD2 PRO 6 HD2 PRO 6 -23.297 -20.275 -9.832 42 HD3 PRO 6 HD3 PRO 6 -22.358 -21.789 -10.005 43 H GLY 7 H GLY 7 -19.380 -18.434 -6.499 44 HA2 GLY 7 HA2 GLY 7 -19.484 -16.679 -4.992 45 HA3 GLY 7 HA3 GLY 7 -21.240 -16.619 -5.156 46 H LEU 8 H LEU 8 -21.467 -19.585 -4.430 47 HA LEU 8 HA LEU 8 -20.774 -19.430 -1.529 48 HB2 LEU 8 HB2 LEU 8 -22.538 -20.871 -0.989 49 HB3 LEU 8 HB3 LEU 8 -23.172 -19.489 -1.842 50 HG LEU 8 HG LEU 8 -22.604 -21.960 -3.471 51 HD11 LEU 8 HD11 LEU 8 -24.799 -22.926 -2.851 52 HD12 LEU 8 HD12 LEU 8 -24.984 -21.692 -1.586 53 HD13 LEU 8 HD13 LEU 8 -23.684 -22.899 -1.476 54 HD21 LEU 8 HD21 LEU 8 -24.666 -21.271 -4.621 55 HD22 LEU 8 HD22 LEU 8 -23.563 -19.896 -4.519 56 HD23 LEU 8 HD23 LEU 8 -24.951 -19.999 -3.418 57 H VAL 9 H VAL 9 -18.870 -20.199 -3.569 58 HA VAL 9 HA VAL 9 -18.164 -22.932 -2.777 59 HB VAL 9 HB VAL 9 -17.285 -23.216 -5.149 60 HG11 VAL 9 HG11 VAL 9 -20.299 -23.193 -4.742 61 HG12 VAL 9 HG12 VAL 9 -19.417 -24.094 -5.987 62 HG13 VAL 9 HG13 VAL 9 -19.174 -24.494 -4.282 63 HG21 VAL 9 HG21 VAL 9 -18.443 -22.074 -6.964 64 HG22 VAL 9 HG22 VAL 9 -19.369 -21.096 -5.817 65 HG23 VAL 9 HG23 VAL 9 -17.610 -20.876 -5.963 66 H ASP 10 H ASP 10 -16.210 -23.131 -2.321 67 HA ASP 10 HA ASP 10 -14.453 -20.882 -1.919 68 HB2 ASP 10 HB2 ASP 10 -13.124 -22.413 -0.625 69 HB3 ASP 10 HB3 ASP 10 -14.827 -22.602 -0.234 70 H SER 11 H SER 11 -14.606 -20.802 -4.516 71 HA SER 11 HA SER 11 -12.713 -22.360 -5.990 72 HB2 SER 11 HB2 SER 11 -14.117 -19.797 -6.786 73 HB3 SER 11 HB3 SER 11 -13.368 -20.983 -7.874 74 HG SER 11 HG SER 11 -15.653 -21.184 -7.618 75 H ASN 12 H ASN 12 -11.319 -21.096 -3.848 76 HA ASN 12 HA ASN 12 -9.503 -19.140 -5.144 77 HB2 ASN 12 HB2 ASN 12 -8.642 -18.776 -2.871 78 HB3 ASN 12 HB3 ASN 12 -10.389 -18.580 -2.933 79 HD21 ASN 12 HD21 ASN 12 -7.758 -20.757 -1.837 80 HD22 ASN 12 HD22 ASN 12 -8.795 -21.618 -0.715 81 HA PRO 13 HA PRO 13 -6.246 -22.288 -5.454 82 HB2 PRO 13 HB2 PRO 13 -4.024 -20.757 -5.661 83 HB3 PRO 13 HB3 PRO 13 -5.286 -20.739 -6.928 84 HG2 PRO 13 HG2 PRO 13 -4.946 -18.787 -4.620 85 HG3 PRO 13 HG3 PRO 13 -5.123 -18.408 -6.365 86 HD2 PRO 13 HD2 PRO 13 -7.239 -18.400 -4.635 87 HD3 PRO 13 HD3 PRO 13 -7.415 -18.907 -6.337 88 H ALA 14 H ALA 14 -4.071 -22.813 -4.288 89 HA ALA 14 HA ALA 14 -4.448 -22.830 -1.435 90 HB1 ALA 14 HB1 ALA 14 -2.325 -24.071 -1.433 91 HB2 ALA 14 HB2 ALA 14 -3.402 -24.676 -2.700 92 HB3 ALA 14 HB3 ALA 14 -2.037 -23.617 -3.121 93 HA PRO 15 HA PRO 15 -2.440 -19.098 -0.372 94 HB2 PRO 15 HB2 PRO 15 -1.676 -19.466 2.234 95 HB3 PRO 15 HB3 PRO 15 -3.382 -19.407 1.696 96 HG2 PRO 15 HG2 PRO 15 -1.664 -21.853 2.194 97 HG3 PRO 15 HG3 PRO 15 -3.325 -21.532 2.779 98 HD2 PRO 15 HD2 PRO 15 -2.843 -23.032 0.550 99 HD3 PRO 15 HD3 PRO 15 -4.261 -21.955 0.670 100 HA PRO 16 HA PRO 16 1.865 -19.171 -1.220 101 HB2 PRO 16 HB2 PRO 16 2.649 -16.645 -0.587 102 HB3 PRO 16 HB3 PRO 16 1.392 -16.966 -1.820 103 HG2 PRO 16 HG2 PRO 16 0.985 -16.277 1.116 104 HG3 PRO 16 HG3 PRO 16 0.255 -15.473 -0.314 105 HD2 PRO 16 HD2 PRO 16 -1.057 -17.422 1.053 106 HD3 PRO 16 HD3 PRO 16 -1.179 -17.286 -0.727 107 H GLU 17 H GLU 17 4.106 -18.786 -0.455 108 HA GLU 17 HA GLU 17 4.630 -19.712 2.272 109 HB2 GLU 17 HB2 GLU 17 6.096 -20.431 0.506 110 HB3 GLU 17 HB3 GLU 17 6.492 -18.765 0.070 111 HG2 GLU 17 HG2 GLU 17 7.607 -18.417 2.227 112 HG3 GLU 17 HG3 GLU 17 7.050 -19.971 2.803 113 H SER 18 H SER 18 5.197 -18.535 4.049 114 HA SER 18 HA SER 18 5.176 -15.570 3.960 115 HB2 SER 18 HB2 SER 18 3.920 -16.698 5.751 116 HB3 SER 18 HB3 SER 18 5.399 -17.527 6.277 117 HG SER 18 HG SER 18 4.751 -14.773 6.383 118 H GLN 19 H GLN 19 6.947 -14.309 4.356 119 HA GLN 19 HA GLN 19 9.539 -15.528 5.163 120 HB2 GLN 19 HB2 GLN 19 9.286 -13.463 2.938 121 HB3 GLN 19 HB3 GLN 19 10.764 -14.109 3.621 122 HG2 GLN 19 HG2 GLN 19 10.656 -15.385 1.744 123 HG3 GLN 19 HG3 GLN 19 9.866 -16.460 2.883 124 HE21 GLN 19 HE21 GLN 19 9.168 -17.305 0.552 125 HE22 GLN 19 HE22 GLN 19 7.691 -16.558 -0.068 126 H GLU 20 H GLU 20 11.125 -13.746 5.785 127 HA GLU 20 HA GLU 20 10.009 -12.223 7.921 128 HB2 GLU 20 HB2 GLU 20 12.316 -11.437 8.293 129 HB3 GLU 20 HB3 GLU 20 12.154 -13.164 8.118 130 HG2 GLU 20 HG2 GLU 20 14.035 -12.868 6.896 131 HG3 GLU 20 HG3 GLU 20 12.868 -12.734 5.594 132 H LYS 21 H LYS 21 10.488 -9.979 8.428 133 HA LYS 21 HA LYS 21 9.879 -8.089 6.174 134 HB2 LYS 21 HB2 LYS 21 8.898 -8.249 9.044 135 HB3 LYS 21 HB3 LYS 21 9.103 -6.674 8.298 136 HG2 LYS 21 HG2 LYS 21 6.852 -7.242 8.020 137 HG3 LYS 21 HG3 LYS 21 7.616 -7.318 6.433 138 HD2 LYS 21 HD2 LYS 21 7.712 -9.790 6.601 139 HD3 LYS 21 HD3 LYS 21 6.935 -9.718 8.201 140 HE2 LYS 21 HE2 LYS 21 4.928 -8.762 7.266 141 HE3 LYS 21 HE3 LYS 21 5.728 -8.433 5.723 142 HZ1 LYS 21 HZ1 LYS 21 4.337 -10.373 5.578 143 HZ2 LYS 21 HZ2 LYS 21 5.190 -11.148 6.773 144 HZ3 LYS 21 HZ3 LYS 21 5.912 -10.792 5.336 145 H LYS 22 H LYS 22 10.879 -6.057 6.206 146 HA LYS 22 HA LYS 22 13.484 -5.791 7.549 147 HB2 LYS 22 HB2 LYS 22 11.784 -3.976 5.833 148 HB3 LYS 22 HB3 LYS 22 12.971 -3.249 6.885 149 HG2 LYS 22 HG2 LYS 22 14.002 -3.483 4.805 150 HG3 LYS 22 HG3 LYS 22 14.780 -4.629 5.874 151 HD2 LYS 22 HD2 LYS 22 12.534 -5.462 4.013 152 HD3 LYS 22 HD3 LYS 22 14.187 -5.280 3.417 153 HE2 LYS 22 HE2 LYS 22 15.029 -6.945 4.980 154 HE3 LYS 22 HE3 LYS 22 13.443 -7.115 5.728 155 HZ1 LYS 22 HZ1 LYS 22 14.115 -7.822 2.931 156 HZ2 LYS 22 HZ2 LYS 22 12.605 -7.877 3.532 157 HZ3 LYS 22 HZ3 LYS 22 13.744 -8.872 4.171 158 HA PRO 23 HA PRO 23 12.107 -4.120 11.457 159 HB2 PRO 23 HB2 PRO 23 14.207 -2.550 12.209 160 HB3 PRO 23 HB3 PRO 23 14.327 -4.329 12.095 161 HG2 PRO 23 HG2 PRO 23 15.148 -2.281 10.007 162 HG3 PRO 23 HG3 PRO 23 16.112 -3.645 10.668 163 HD2 PRO 23 HD2 PRO 23 14.742 -3.869 8.325 164 HD3 PRO 23 HD3 PRO 23 14.868 -5.239 9.466 165 H LEU 24 H LEU 24 11.997 -1.844 12.613 166 HA LEU 24 HA LEU 24 10.591 0.075 10.942 167 HB2 LEU 24 HB2 LEU 24 10.067 1.184 12.900 168 HB3 LEU 24 HB3 LEU 24 10.073 -0.502 13.361 169 HG LEU 24 HG LEU 24 12.249 1.562 13.970 170 HD11 LEU 24 HD11 LEU 24 11.497 1.308 16.288 171 HD12 LEU 24 HD12 LEU 24 10.247 0.152 15.776 172 HD13 LEU 24 HD13 LEU 24 10.167 1.849 15.254 173 HD21 LEU 24 HD21 LEU 24 13.314 -0.642 13.779 174 HD22 LEU 24 HD22 LEU 24 12.070 -1.350 14.844 175 HD23 LEU 24 HD23 LEU 24 13.220 -0.146 15.461 176 H LYS 25 H LYS 25 11.192 2.489 11.418 177 HA LYS 25 HA LYS 25 14.122 3.059 11.297 178 HB2 LYS 25 HB2 LYS 25 11.832 4.226 9.655 179 HB3 LYS 25 HB3 LYS 25 13.315 5.128 9.908 180 HG2 LYS 25 HG2 LYS 25 14.621 3.172 8.996 181 HG3 LYS 25 HG3 LYS 25 13.079 2.396 8.582 182 HD2 LYS 25 HD2 LYS 25 12.491 4.326 7.145 183 HD3 LYS 25 HD3 LYS 25 14.022 5.109 7.561 184 HE2 LYS 25 HE2 LYS 25 13.820 2.416 6.149 185 HE3 LYS 25 HE3 LYS 25 13.981 3.975 5.324 186 HZ1 LYS 25 HZ1 LYS 25 15.974 2.802 7.189 187 HZ2 LYS 25 HZ2 LYS 25 16.081 4.308 6.597 188 HZ3 LYS 25 HZ3 LYS 25 16.161 3.018 5.579 189 HA PRO 26 HA PRO 26 13.500 5.492 14.833 190 HB2 PRO 26 HB2 PRO 26 15.012 7.784 14.535 191 HB3 PRO 26 HB3 PRO 26 15.676 6.139 14.765 192 HG2 PRO 26 HG2 PRO 26 15.228 7.615 12.148 193 HG3 PRO 26 HG3 PRO 26 16.717 6.781 12.711 194 HD2 PRO 26 HD2 PRO 26 15.019 5.540 11.060 195 HD3 PRO 26 HD3 PRO 26 15.735 4.640 12.422 196 H CYS 27 H CYS 27 11.860 6.554 12.175 197 HA CYS 27 HA CYS 27 10.147 8.277 13.838 198 HB2 CYS 27 HB2 CYS 27 9.655 9.645 11.721 199 HB3 CYS 27 HB3 CYS 27 11.161 9.967 12.576 200 HG CYS 27 HG CYS 27 10.815 7.968 9.915 201 H CYS 28 H CYS 28 7.879 8.178 13.249 202 HA CYS 28 HA CYS 28 7.259 5.405 12.842 203 HB2 CYS 28 HB2 CYS 28 6.199 6.788 14.541 204 HB3 CYS 28 HB3 CYS 28 5.450 7.800 13.292 205 HG CYS 28 HG CYS 28 3.684 6.111 14.394 206 H ALA 29 H ALA 29 7.016 4.370 11.028 207 HA ALA 29 HA ALA 29 5.344 5.260 8.829 208 HB1 ALA 29 HB1 ALA 29 7.513 6.331 8.266 209 HB2 ALA 29 HB2 ALA 29 8.356 4.782 8.523 210 HB3 ALA 29 HB3 ALA 29 7.213 4.967 7.181 211 H SER 30 H SER 30 5.302 3.409 7.191 212 HA SER 30 HA SER 30 6.239 0.766 8.287 213 HB2 SER 30 HB2 SER 30 3.675 1.322 6.832 214 HB3 SER 30 HB3 SER 30 4.453 -0.275 6.843 215 HG SER 30 HG SER 30 3.207 -0.417 8.560 216 HA PRO 31 HA PRO 31 8.661 1.810 4.443 217 HB2 PRO 31 HB2 PRO 31 10.802 0.159 5.172 218 HB3 PRO 31 HB3 PRO 31 10.643 1.904 5.513 219 HG2 PRO 31 HG2 PRO 31 9.920 -0.426 7.312 220 HG3 PRO 31 HG3 PRO 31 10.859 1.047 7.730 221 HD2 PRO 31 HD2 PRO 31 8.277 0.992 8.394 222 HD3 PRO 31 HD3 PRO 31 8.907 2.426 7.568 223 H GLU 32 H GLU 32 7.637 -1.350 5.840 224 HA GLU 32 HA GLU 32 8.194 -2.781 3.344 225 HB2 GLU 32 HB2 GLU 32 6.448 -3.521 5.720 226 HB3 GLU 32 HB3 GLU 32 6.785 -4.577 4.357 227 HG2 GLU 32 HG2 GLU 32 8.978 -3.409 6.112 228 HG3 GLU 32 HG3 GLU 32 8.194 -4.960 6.410 229 H THR 33 H THR 33 5.255 -1.219 4.735 230 HA THR 33 HA THR 33 3.655 -2.093 2.482 231 HB THR 33 HB THR 33 1.912 -0.589 3.208 232 HG1 THR 33 HG1 THR 33 2.298 0.720 5.074 233 HG21 THR 33 HG21 THR 33 3.184 -1.905 5.646 234 HG22 THR 33 HG22 THR 33 2.147 -2.719 4.455 235 HG23 THR 33 HG23 THR 33 1.488 -1.414 5.456 236 H LYS 34 H LYS 34 5.653 0.741 3.167 237 HA LYS 34 HA LYS 34 5.070 2.293 0.811 238 HB2 LYS 34 HB2 LYS 34 6.341 3.407 2.430 239 HB3 LYS 34 HB3 LYS 34 7.438 2.046 2.673 240 HG2 LYS 34 HG2 LYS 34 8.536 2.415 0.572 241 HG3 LYS 34 HG3 LYS 34 7.355 3.658 0.108 242 HD2 LYS 34 HD2 LYS 34 8.229 5.160 1.811 243 HD3 LYS 34 HD3 LYS 34 9.296 3.883 2.447 244 HE2 LYS 34 HE2 LYS 34 10.488 3.739 0.315 245 HE3 LYS 34 HE3 LYS 34 9.368 4.891 -0.434 246 HZ1 LYS 34 HZ1 LYS 34 11.403 5.985 0.186 247 HZ2 LYS 34 HZ2 LYS 34 11.241 5.537 1.773 248 HZ3 LYS 34 HZ3 LYS 34 10.176 6.592 1.074 249 H LYS 35 H LYS 35 7.640 -0.197 1.307 250 HA LYS 35 HA LYS 35 8.471 -0.304 -1.425 251 HB2 LYS 35 HB2 LYS 35 8.777 -1.996 1.023 252 HB3 LYS 35 HB3 LYS 35 8.861 -2.889 -0.487 253 HG2 LYS 35 HG2 LYS 35 11.080 -2.169 0.238 254 HG3 LYS 35 HG3 LYS 35 10.608 -1.536 -1.336 255 HD2 LYS 35 HD2 LYS 35 10.119 0.706 -0.262 256 HD3 LYS 35 HD3 LYS 35 10.651 0.039 1.282 257 HE2 LYS 35 HE2 LYS 35 12.430 1.334 0.215 258 HE3 LYS 35 HE3 LYS 35 12.901 -0.368 0.346 259 HZ1 LYS 35 HZ1 LYS 35 12.444 -0.673 -1.970 260 HZ2 LYS 35 HZ2 LYS 35 13.389 0.626 -1.853 261 HZ3 LYS 35 HZ3 LYS 35 11.791 0.835 -2.144 262 H ALA 36 H ALA 36 5.906 -2.163 0.178 263 HA ALA 36 HA ALA 36 5.167 -3.678 -2.112 264 HB1 ALA 36 HB1 ALA 36 3.543 -2.913 0.349 265 HB2 ALA 36 HB2 ALA 36 3.199 -4.249 -0.768 266 HB3 ALA 36 HB3 ALA 36 4.662 -4.284 0.225 267 H ARG 37 H ARG 37 3.928 -0.508 -0.937 268 HA ARG 37 HA ARG 37 1.922 -0.057 -2.906 269 HB2 ARG 37 HB2 ARG 37 3.523 1.611 -1.016 270 HB3 ARG 37 HB3 ARG 37 2.994 2.463 -2.437 271 HG2 ARG 37 HG2 ARG 37 1.143 0.937 -0.576 272 HG3 ARG 37 HG3 ARG 37 1.449 2.668 -0.499 273 HD2 ARG 37 HD2 ARG 37 0.191 1.224 -2.873 274 HD3 ARG 37 HD3 ARG 37 -0.671 2.170 -1.667 275 HE ARG 37 HE ARG 37 1.423 3.295 -3.486 276 HH11 ARG 37 HH11 ARG 37 -1.762 3.724 -1.914 277 HH12 ARG 37 HH12 ARG 37 -2.000 5.298 -2.642 278 HH21 ARG 37 HH21 ARG 37 1.049 5.303 -4.394 279 HH22 ARG 37 HH22 ARG 37 -0.420 6.185 -4.038 280 H ASP 38 H ASP 38 5.335 1.058 -2.909 281 HA ASP 38 HA ASP 38 5.431 2.188 -5.471 282 HB2 ASP 38 HB2 ASP 38 7.104 2.511 -3.727 283 HB3 ASP 38 HB3 ASP 38 7.532 0.804 -3.755 284 H ALA 39 H ALA 39 6.112 -1.207 -4.506 285 HA ALA 39 HA ALA 39 6.669 -2.145 -7.158 286 HB1 ALA 39 HB1 ALA 39 6.442 -4.371 -6.085 287 HB2 ALA 39 HB2 ALA 39 7.483 -3.274 -5.161 288 HB3 ALA 39 HB3 ALA 39 5.826 -3.586 -4.614 289 H CYS 40 H CYS 40 3.546 -2.056 -5.300 290 HA CYS 40 HA CYS 40 2.098 -3.491 -7.362 291 HB2 CYS 40 HB2 CYS 40 1.478 -3.301 -4.933 292 HB3 CYS 40 HB3 CYS 40 0.945 -1.648 -5.243 293 H ILE 41 H ILE 41 2.653 -0.026 -6.680 294 HA ILE 41 HA ILE 41 1.087 0.981 -8.871 295 HB ILE 41 HB ILE 41 3.189 2.094 -7.033 296 HG12 ILE 41 HG12 ILE 41 1.445 3.823 -6.677 297 HG13 ILE 41 HG13 ILE 41 0.456 3.097 -7.936 298 HG21 ILE 41 HG21 ILE 41 3.123 4.271 -8.220 299 HG22 ILE 41 HG22 ILE 41 3.946 3.032 -9.165 300 HG23 ILE 41 HG23 ILE 41 2.279 3.505 -9.574 301 HD11 ILE 41 HD11 ILE 41 -0.405 2.605 -5.704 302 HD12 ILE 41 HD12 ILE 41 0.077 1.107 -6.513 303 HD13 ILE 41 HD13 ILE 41 1.112 1.835 -5.253 304 H ILE 42 H ILE 42 4.493 -0.173 -8.697 305 HA ILE 42 HA ILE 42 4.942 0.257 -11.545 306 HB ILE 42 HB ILE 42 6.274 -1.539 -9.505 307 HG12 ILE 42 HG12 ILE 42 7.394 0.828 -11.065 308 HG13 ILE 42 HG13 ILE 42 6.535 1.041 -9.552 309 HG21 ILE 42 HG21 ILE 42 7.027 -1.201 -12.442 310 HG22 ILE 42 HG22 ILE 42 8.046 -1.982 -11.215 311 HG23 ILE 42 HG23 ILE 42 6.509 -2.707 -11.659 312 HD11 ILE 42 HD11 ILE 42 8.198 -0.423 -8.393 313 HD12 ILE 42 HD12 ILE 42 9.131 -0.506 -9.906 314 HD13 ILE 42 HD13 ILE 42 8.899 1.048 -9.094 315 H GLU 43 H GLU 43 3.678 -2.635 -9.787 316 HA GLU 43 HA GLU 43 3.484 -4.263 -12.136 317 HB2 GLU 43 HB2 GLU 43 2.172 -4.373 -9.400 318 HB3 GLU 43 HB3 GLU 43 1.771 -5.532 -10.661 319 HG2 GLU 43 HG2 GLU 43 4.160 -6.184 -10.845 320 HG3 GLU 43 HG3 GLU 43 4.544 -5.134 -9.478 321 H LYS 44 H LYS 44 1.069 -2.087 -10.695 322 HA LYS 44 HA LYS 44 -0.768 -2.551 -13.034 323 HB2 LYS 44 HB2 LYS 44 -1.477 -2.618 -10.069 324 HB3 LYS 44 HB3 LYS 44 -2.652 -2.492 -11.377 325 HG2 LYS 44 HG2 LYS 44 -1.954 -4.655 -12.290 326 HG3 LYS 44 HG3 LYS 44 -0.795 -4.868 -10.955 327 HD2 LYS 44 HD2 LYS 44 -2.586 -4.885 -9.313 328 HD3 LYS 44 HD3 LYS 44 -3.757 -4.347 -10.527 329 HE2 LYS 44 HE2 LYS 44 -3.304 -6.501 -11.798 330 HE3 LYS 44 HE3 LYS 44 -2.398 -7.070 -10.392 331 HZ1 LYS 44 HZ1 LYS 44 -4.407 -6.877 -9.070 332 HZ2 LYS 44 HZ2 LYS 44 -4.826 -7.706 -10.434 333 HZ3 LYS 44 HZ3 LYS 44 -5.221 -6.140 -10.290 334 H GLY 45 H GLY 45 -0.084 -0.438 -10.237 335 HA2 GLY 45 HA2 GLY 45 -0.009 2.026 -10.630 336 HA3 GLY 45 HA3 GLY 45 -1.404 1.849 -11.677 337 H GLU 46 H GLU 46 -1.585 3.688 -9.806 338 HA GLU 46 HA GLU 46 -2.163 3.013 -7.116 339 HB2 GLU 46 HB2 GLU 46 -3.110 5.366 -8.804 340 HB3 GLU 46 HB3 GLU 46 -3.161 5.275 -7.039 341 HG2 GLU 46 HG2 GLU 46 -0.783 5.361 -6.851 342 HG3 GLU 46 HG3 GLU 46 -0.559 5.074 -8.582 343 H GLU 47 H GLU 47 -4.400 3.451 -9.861 344 HA GLU 47 HA GLU 47 -6.775 3.200 -8.125 345 HB2 GLU 47 HB2 GLU 47 -6.673 3.605 -11.126 346 HB3 GLU 47 HB3 GLU 47 -8.035 3.883 -10.040 347 HG2 GLU 47 HG2 GLU 47 -5.465 5.502 -10.206 348 HG3 GLU 47 HG3 GLU 47 -7.079 6.000 -10.695 349 H HIS 48 H HIS 48 -4.828 0.970 -8.926 350 HA HIS 48 HA HIS 48 -6.845 -1.144 -9.542 351 HB2 HIS 48 HB2 HIS 48 -4.064 -0.785 -10.718 352 HB3 HIS 48 HB3 HIS 48 -5.135 -2.155 -11.028 353 HD1 HIS 48 HD1 HIS 48 -4.450 1.346 -12.253 354 HD2 HIS 48 HD2 HIS 48 -7.566 -1.492 -12.328 355 HE1 HIS 48 HE1 HIS 48 -5.944 1.959 -14.224 356 H CYS 49 H CYS 49 -4.819 -0.044 -7.248 357 HA CYS 49 HA CYS 49 -4.003 -2.719 -6.210 358 HB2 CYS 49 HB2 CYS 49 -2.664 -0.006 -6.138 359 HB3 CYS 49 HB3 CYS 49 -2.222 -1.277 -5.001 360 H GLY 50 H GLY 50 -6.644 -1.671 -5.738 361 HA2 GLY 50 HA2 GLY 50 -7.049 -0.181 -3.396 362 HA3 GLY 50 HA3 GLY 50 -8.136 -1.414 -4.039 363 H HIS 51 H HIS 51 -6.265 -3.682 -3.628 364 HA HIS 51 HA HIS 51 -6.701 -4.389 -0.871 365 HB2 HIS 51 HB2 HIS 51 -4.653 -5.394 -2.898 366 HB3 HIS 51 HB3 HIS 51 -5.005 -6.162 -1.360 367 HD1 HIS 51 HD1 HIS 51 -8.364 -5.413 -2.552 368 HD2 HIS 51 HD2 HIS 51 -5.257 -8.093 -3.497 369 HE1 HIS 51 HE1 HIS 51 -9.447 -7.374 -3.781 370 H LEU 52 H LEU 52 -3.998 -2.745 -2.475 371 HA LEU 52 HA LEU 52 -2.160 -3.031 -0.225 372 HB2 LEU 52 HB2 LEU 52 -1.898 -2.595 -2.989 373 HB3 LEU 52 HB3 LEU 52 -1.593 -1.008 -2.332 374 HG LEU 52 HG LEU 52 0.503 -2.017 -2.567 375 HD11 LEU 52 HD11 LEU 52 0.087 -0.980 -0.270 376 HD12 LEU 52 HD12 LEU 52 1.455 -2.098 -0.389 377 HD13 LEU 52 HD13 LEU 52 -0.057 -2.627 0.359 378 HD21 LEU 52 HD21 LEU 52 -0.549 -4.504 -1.158 379 HD22 LEU 52 HD22 LEU 52 1.099 -4.257 -1.761 380 HD23 LEU 52 HD23 LEU 52 -0.250 -4.338 -2.899 381 H ILE 53 H ILE 53 -4.271 -0.533 -1.630 382 HA ILE 53 HA ILE 53 -3.731 1.533 0.320 383 HB ILE 53 HB ILE 53 -6.078 1.003 -1.512 384 HG12 ILE 53 HG12 ILE 53 -5.446 3.263 -2.390 385 HG13 ILE 53 HG13 ILE 53 -4.088 3.320 -1.276 386 HG21 ILE 53 HG21 ILE 53 -5.826 3.210 0.587 387 HG22 ILE 53 HG22 ILE 53 -7.024 3.186 -0.728 388 HG23 ILE 53 HG23 ILE 53 -7.084 1.953 0.515 389 HD11 ILE 53 HD11 ILE 53 -3.010 1.453 -2.505 390 HD12 ILE 53 HD12 ILE 53 -4.443 1.350 -3.569 391 HD13 ILE 53 HD13 ILE 53 -3.418 2.791 -3.584 392 H GLU 54 H GLU 54 -6.084 -1.196 0.297 393 HA GLU 54 HA GLU 54 -7.224 -0.648 2.818 394 HB2 GLU 54 HB2 GLU 54 -8.005 -2.380 1.109 395 HB3 GLU 54 HB3 GLU 54 -6.759 -3.449 1.761 396 HG2 GLU 54 HG2 GLU 54 -7.776 -3.087 4.058 397 HG3 GLU 54 HG3 GLU 54 -9.088 -2.186 3.281 398 H ALA 55 H ALA 55 -4.407 -2.682 2.060 399 HA ALA 55 HA ALA 55 -3.785 -3.426 4.704 400 HB1 ALA 55 HB1 ALA 55 -2.885 -4.521 2.742 401 HB2 ALA 55 HB2 ALA 55 -1.954 -3.073 2.298 402 HB3 ALA 55 HB3 ALA 55 -1.557 -3.976 3.780 403 H HIS 56 H HIS 56 -2.501 -0.501 2.880 404 HA HIS 56 HA HIS 56 -0.992 0.278 5.179 405 HB2 HIS 56 HB2 HIS 56 -0.080 1.837 3.859 406 HB3 HIS 56 HB3 HIS 56 -0.411 0.542 2.769 407 HD1 HIS 56 HD1 HIS 56 -2.078 3.986 3.661 408 HD2 HIS 56 HD2 HIS 56 -1.023 1.427 0.513 409 HE1 HIS 56 HE1 HIS 56 -2.662 5.223 1.521 410 H LYS 57 H LYS 57 -4.241 1.268 4.025 411 HA LYS 57 HA LYS 57 -4.446 3.374 6.002 412 HB2 LYS 57 HB2 LYS 57 -6.697 3.618 5.447 413 HB3 LYS 57 HB3 LYS 57 -5.836 3.236 3.954 414 HG2 LYS 57 HG2 LYS 57 -6.658 0.909 4.083 415 HG3 LYS 57 HG3 LYS 57 -7.559 1.292 5.544 416 HD2 LYS 57 HD2 LYS 57 -8.929 2.931 4.354 417 HD3 LYS 57 HD3 LYS 57 -7.976 2.714 2.870 418 HE2 LYS 57 HE2 LYS 57 -8.721 0.447 2.606 419 HE3 LYS 57 HE3 LYS 57 -9.444 0.423 4.221 420 HZ1 LYS 57 HZ1 LYS 57 -10.358 2.107 1.963 421 HZ2 LYS 57 HZ2 LYS 57 -11.101 2.017 3.416 422 HZ3 LYS 57 HZ3 LYS 57 -11.072 0.696 2.442 423 H GLU 58 H GLU 58 -5.364 -0.083 6.128 424 HA GLU 58 HA GLU 58 -6.164 0.109 8.923 425 HB2 GLU 58 HB2 GLU 58 -5.472 -2.281 7.200 426 HB3 GLU 58 HB3 GLU 58 -6.023 -2.385 8.881 427 HG2 GLU 58 HG2 GLU 58 -8.080 -1.105 8.277 428 HG3 GLU 58 HG3 GLU 58 -7.589 -1.116 6.586 429 H SER 59 H SER 59 -3.000 -0.453 7.369 430 HA SER 59 HA SER 59 -1.512 -1.039 9.751 431 HB2 SER 59 HB2 SER 59 -0.681 0.529 7.288 432 HB3 SER 59 HB3 SER 59 0.411 0.041 8.581 433 HG SER 59 HG SER 59 -1.115 -1.672 6.900 434 H MET 60 H MET 60 -2.459 2.157 8.342 435 HA MET 60 HA MET 60 -1.386 3.493 10.734 436 HB2 MET 60 HB2 MET 60 -2.491 4.432 8.125 437 HB3 MET 60 HB3 MET 60 -2.565 5.510 9.533 438 HG2 MET 60 HG2 MET 60 -0.507 5.848 8.226 439 HG3 MET 60 HG3 MET 60 -0.269 5.458 9.921 440 HE1 MET 60 HE1 MET 60 2.196 4.745 9.923 441 HE2 MET 60 HE2 MET 60 2.962 3.858 8.587 442 HE3 MET 60 HE3 MET 60 2.230 5.453 8.291 443 H ARG 61 H ARG 61 -4.537 2.195 9.935 444 HA ARG 61 HA ARG 61 -5.924 3.396 12.153 445 HB2 ARG 61 HB2 ARG 61 -6.939 1.973 10.353 446 HB3 ARG 61 HB3 ARG 61 -6.208 0.559 11.111 447 HG2 ARG 61 HG2 ARG 61 -7.468 0.917 13.163 448 HG3 ARG 61 HG3 ARG 61 -8.181 2.404 12.501 449 HD2 ARG 61 HD2 ARG 61 -9.320 1.123 10.748 450 HD3 ARG 61 HD3 ARG 61 -8.466 -0.350 11.218 451 HE ARG 61 HE ARG 61 -9.780 -0.581 13.132 452 HH11 ARG 61 HH11 ARG 61 -10.811 2.328 11.329 453 HH12 ARG 61 HH12 ARG 61 -12.323 2.443 12.210 454 HH21 ARG 61 HH21 ARG 61 -11.735 -0.373 14.231 455 HH22 ARG 61 HH22 ARG 61 -12.842 0.924 13.835 456 H ALA 62 H ALA 62 -3.582 0.669 11.968 457 HA ALA 62 HA ALA 62 -3.587 0.057 14.725 458 HB1 ALA 62 HB1 ALA 62 -1.552 -1.047 14.419 459 HB2 ALA 62 HB2 ALA 62 -2.373 -1.179 12.855 460 HB3 ALA 62 HB3 ALA 62 -1.057 -0.003 13.093 461 H LEU 63 H LEU 63 -2.453 3.066 13.297 462 HA LEU 63 HA LEU 63 -1.142 3.786 15.876 463 HB2 LEU 63 HB2 LEU 63 -1.030 5.125 13.156 464 HB3 LEU 63 HB3 LEU 63 -0.420 5.828 14.643 465 HG LEU 63 HG LEU 63 1.471 5.017 13.647 466 HD11 LEU 63 HD11 LEU 63 1.263 4.221 16.050 467 HD12 LEU 63 HD12 LEU 63 2.386 3.302 15.039 468 HD13 LEU 63 HD13 LEU 63 0.789 2.633 15.414 469 HD21 LEU 63 HD21 LEU 63 0.451 3.653 11.899 470 HD22 LEU 63 HD22 LEU 63 0.097 2.377 13.093 471 HD23 LEU 63 HD23 LEU 63 1.776 2.794 12.691 472 H GLY 64 H GLY 64 -4.133 4.026 14.355 473 HA2 GLY 64 HA2 GLY 64 -6.096 4.850 15.161 474 HA3 GLY 64 HA3 GLY 64 -5.235 5.608 16.502 475 H PHE 65 H PHE 65 -4.151 6.532 13.318 476 HA PHE 65 HA PHE 65 -5.696 9.079 13.521 477 HB2 PHE 65 HB2 PHE 65 -3.659 10.333 13.013 478 HB3 PHE 65 HB3 PHE 65 -3.680 9.487 14.532 479 HD1 PHE 65 HD1 PHE 65 -2.541 8.215 11.080 480 HD2 PHE 65 HD2 PHE 65 -1.488 9.226 15.154 481 HE1 PHE 65 HE1 PHE 65 -0.215 7.579 10.648 482 HE2 PHE 65 HE2 PHE 65 0.843 8.520 14.709 483 HZ PHE 65 HZ PHE 65 1.491 7.702 12.451 484 H LYS 66 H LYS 66 -6.188 6.831 11.684 485 HA LYS 66 HA LYS 66 -5.966 8.361 9.103 486 HB2 LYS 66 HB2 LYS 66 -4.217 6.802 9.073 487 HB3 LYS 66 HB3 LYS 66 -5.219 5.483 9.660 488 HG2 LYS 66 HG2 LYS 66 -4.762 5.072 7.403 489 HG3 LYS 66 HG3 LYS 66 -6.447 5.532 7.433 490 HD2 LYS 66 HD2 LYS 66 -4.206 7.464 6.685 491 HD3 LYS 66 HD3 LYS 66 -4.968 6.372 5.525 492 HE2 LYS 66 HE2 LYS 66 -7.209 7.418 6.141 493 HE3 LYS 66 HE3 LYS 66 -6.304 8.649 7.029 494 HZ1 LYS 66 HZ1 LYS 66 -5.154 9.173 4.904 495 HZ2 LYS 66 HZ2 LYS 66 -6.788 9.377 4.803 496 HZ3 LYS 66 HZ3 LYS 66 -6.082 8.066 4.122 497 H ILE 67 H ILE 67 -7.701 5.557 10.502 498 HA ILE 67 HA ILE 67 -10.241 6.537 9.348 499 HB ILE 67 HB ILE 67 -10.789 4.167 8.591 500 HG12 ILE 67 HG12 ILE 67 -7.786 3.825 8.256 501 HG13 ILE 67 HG13 ILE 67 -8.641 3.234 9.671 502 HG21 ILE 67 HG21 ILE 67 -10.474 6.083 7.074 503 HG22 ILE 67 HG22 ILE 67 -8.742 5.729 6.961 504 HG23 ILE 67 HG23 ILE 67 -9.938 4.574 6.340 505 HD11 ILE 67 HD11 ILE 67 -8.369 1.454 8.006 506 HD12 ILE 67 HD12 ILE 67 -10.087 1.815 8.275 507 HD13 ILE 67 HD13 ILE 67 -9.272 2.408 6.812 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -7.046 16.346 44.696 2 H2 GLY 1 H2 GLY 1 -6.776 16.781 46.257 3 H3 GLY 1 H3 GLY 1 -6.351 15.268 45.739 4 HA2 GLY 1 HA2 GLY 1 -5.131 17.810 44.877 5 HA3 GLY 1 HA3 GLY 1 -4.385 16.582 45.913 6 H SER 2 H SER 2 -2.708 16.759 44.220 7 HA SER 2 HA SER 2 -3.184 14.733 42.074 8 HB2 SER 2 HB2 SER 2 -1.573 15.936 40.631 9 HB3 SER 2 HB3 SER 2 -3.095 16.790 40.908 10 HG SER 2 HG SER 2 -2.139 18.253 42.108 11 H PHE 3 H PHE 3 -1.427 13.440 41.482 12 HA PHE 3 HA PHE 3 0.474 12.999 43.757 13 HB2 PHE 3 HB2 PHE 3 -0.846 10.984 41.910 14 HB3 PHE 3 HB3 PHE 3 0.237 10.626 43.242 15 HD1 PHE 3 HD1 PHE 3 -0.538 10.862 45.604 16 HD2 PHE 3 HD2 PHE 3 -3.190 11.563 42.276 17 HE1 PHE 3 HE1 PHE 3 -2.501 10.616 47.107 18 HE2 PHE 3 HE2 PHE 3 -5.147 11.355 43.788 19 HZ PHE 3 HZ PHE 3 -4.808 10.850 46.205 20 H THR 4 H THR 4 2.152 14.281 42.836 21 HA THR 4 HA THR 4 3.230 13.708 40.200 22 HB THR 4 HB THR 4 5.170 15.152 41.039 23 HG1 THR 4 HG1 THR 4 4.777 16.313 42.902 24 HG21 THR 4 HG21 THR 4 3.867 17.228 40.860 25 HG22 THR 4 HG22 THR 4 2.355 16.332 41.131 26 HG23 THR 4 HG23 THR 4 3.314 16.042 39.663 27 H MET 5 H MET 5 4.876 12.464 39.579 28 HA MET 5 HA MET 5 6.062 10.585 41.565 29 HB2 MET 5 HB2 MET 5 4.221 9.938 39.255 30 HB3 MET 5 HB3 MET 5 5.311 8.735 39.960 31 HG2 MET 5 HG2 MET 5 3.234 10.273 41.559 32 HG3 MET 5 HG3 MET 5 2.965 8.686 40.855 33 HE1 MET 5 HE1 MET 5 3.229 8.147 44.779 34 HE2 MET 5 HE2 MET 5 2.713 9.667 44.011 35 HE3 MET 5 HE3 MET 5 2.151 8.108 43.365 36 HA PRO 6 HA PRO 6 9.605 10.785 38.705 37 HB2 PRO 6 HB2 PRO 6 10.337 8.395 40.397 38 HB3 PRO 6 HB3 PRO 6 11.372 9.752 39.857 39 HG2 PRO 6 HG2 PRO 6 10.435 9.714 42.396 40 HG3 PRO 6 HG3 PRO 6 10.343 11.244 41.463 41 HD2 PRO 6 HD2 PRO 6 8.156 9.187 41.886 42 HD3 PRO 6 HD3 PRO 6 8.099 10.966 42.102 43 H GLY 7 H GLY 7 10.050 9.617 36.831 44 HA2 GLY 7 HA2 GLY 7 9.998 7.972 35.228 45 HA3 GLY 7 HA3 GLY 7 9.460 6.834 36.457 46 H LEU 8 H LEU 8 6.945 8.228 37.085 47 HA LEU 8 HA LEU 8 5.368 6.953 35.004 48 HB2 LEU 8 HB2 LEU 8 4.441 8.452 37.471 49 HB3 LEU 8 HB3 LEU 8 3.459 7.422 36.438 50 HG LEU 8 HG LEU 8 5.704 6.557 38.295 51 HD11 LEU 8 HD11 LEU 8 3.489 7.015 39.309 52 HD12 LEU 8 HD12 LEU 8 3.897 5.298 39.376 53 HD13 LEU 8 HD13 LEU 8 2.733 5.878 38.172 54 HD21 LEU 8 HD21 LEU 8 4.141 4.871 36.292 55 HD22 LEU 8 HD22 LEU 8 5.124 4.219 37.621 56 HD23 LEU 8 HD23 LEU 8 5.903 5.133 36.333 57 H VAL 9 H VAL 9 6.283 8.473 33.397 58 HA VAL 9 HA VAL 9 4.261 10.590 32.811 59 HB VAL 9 HB VAL 9 6.101 11.784 31.533 60 HG11 VAL 9 HG11 VAL 9 6.208 11.798 34.582 61 HG12 VAL 9 HG12 VAL 9 6.728 13.107 33.503 62 HG13 VAL 9 HG13 VAL 9 5.019 12.657 33.580 63 HG21 VAL 9 HG21 VAL 9 7.949 10.369 33.515 64 HG22 VAL 9 HG22 VAL 9 7.932 10.075 31.763 65 HG23 VAL 9 HG23 VAL 9 8.371 11.665 32.380 66 H ASP 10 H ASP 10 3.038 9.466 31.463 67 HA ASP 10 HA ASP 10 4.032 8.245 28.999 68 HB2 ASP 10 HB2 ASP 10 1.703 8.431 28.240 69 HB3 ASP 10 HB3 ASP 10 1.822 7.645 29.812 70 H SER 11 H SER 11 4.917 9.325 27.365 71 HA SER 11 HA SER 11 4.356 12.214 26.999 72 HB2 SER 11 HB2 SER 11 6.763 11.408 27.269 73 HB3 SER 11 HB3 SER 11 6.601 10.803 25.601 74 HG SER 11 HG SER 11 7.305 12.937 25.558 75 H ASN 12 H ASN 12 3.984 13.069 24.873 76 HA ASN 12 HA ASN 12 1.867 11.468 23.771 77 HB2 ASN 12 HB2 ASN 12 1.037 13.499 22.807 78 HB3 ASN 12 HB3 ASN 12 1.585 13.833 24.437 79 HD21 ASN 12 HD21 ASN 12 2.564 14.198 20.934 80 HD22 ASN 12 HD22 ASN 12 3.390 15.699 21.283 81 HA PRO 13 HA PRO 13 3.445 10.213 19.863 82 HB2 PRO 13 HB2 PRO 13 0.895 11.118 18.575 83 HB3 PRO 13 HB3 PRO 13 1.722 9.525 18.511 84 HG2 PRO 13 HG2 PRO 13 -0.466 9.864 20.074 85 HG3 PRO 13 HG3 PRO 13 0.946 8.931 20.676 86 HD2 PRO 13 HD2 PRO 13 0.255 11.835 21.211 87 HD3 PRO 13 HD3 PRO 13 0.712 10.548 22.365 88 H ALA 14 H ALA 14 4.513 10.862 18.125 89 HA ALA 14 HA ALA 14 5.854 12.096 16.905 90 HB1 ALA 14 HB1 ALA 14 4.769 13.723 15.397 91 HB2 ALA 14 HB2 ALA 14 3.811 12.256 15.601 92 HB3 ALA 14 HB3 ALA 14 3.350 13.746 16.451 93 HA PRO 15 HA PRO 15 7.697 15.679 18.906 94 HB2 PRO 15 HB2 PRO 15 8.905 16.994 16.807 95 HB3 PRO 15 HB3 PRO 15 9.520 15.478 17.533 96 HG2 PRO 15 HG2 PRO 15 7.763 15.786 15.070 97 HG3 PRO 15 HG3 PRO 15 9.291 14.859 15.226 98 HD2 PRO 15 HD2 PRO 15 6.919 13.624 15.457 99 HD3 PRO 15 HD3 PRO 15 8.248 13.197 16.566 100 HA PRO 16 HA PRO 16 4.813 19.041 18.264 101 HB2 PRO 16 HB2 PRO 16 6.037 21.179 19.383 102 HB3 PRO 16 HB3 PRO 16 5.576 19.742 20.346 103 HG2 PRO 16 HG2 PRO 16 8.298 20.377 19.147 104 HG3 PRO 16 HG3 PRO 16 7.921 19.892 20.832 105 HD2 PRO 16 HD2 PRO 16 8.736 18.094 18.937 106 HD3 PRO 16 HD3 PRO 16 7.558 17.655 20.208 107 H GLU 17 H GLU 17 4.322 20.963 17.085 108 HA GLU 17 HA GLU 17 6.106 21.414 14.722 109 HB2 GLU 17 HB2 GLU 17 4.068 22.071 13.540 110 HB3 GLU 17 HB3 GLU 17 4.029 20.410 14.128 111 HG2 GLU 17 HG2 GLU 17 2.538 21.036 15.972 112 HG3 GLU 17 HG3 GLU 17 2.675 22.746 15.544 113 H SER 18 H SER 18 4.698 23.107 17.416 114 HA SER 18 HA SER 18 5.759 25.701 16.373 115 HB2 SER 18 HB2 SER 18 3.924 26.827 17.474 116 HB3 SER 18 HB3 SER 18 3.335 25.642 16.302 117 HG SER 18 HG SER 18 2.269 25.706 18.349 118 H GLN 19 H GLN 19 6.693 23.503 18.419 119 HA GLN 19 HA GLN 19 7.940 25.526 20.208 120 HB2 GLN 19 HB2 GLN 19 7.216 22.645 20.872 121 HB3 GLN 19 HB3 GLN 19 8.318 23.622 21.831 122 HG2 GLN 19 HG2 GLN 19 5.394 24.328 21.302 123 HG3 GLN 19 HG3 GLN 19 6.001 23.541 22.753 124 HE21 GLN 19 HE21 GLN 19 4.626 25.821 23.182 125 HE22 GLN 19 HE22 GLN 19 5.721 27.173 23.527 126 H GLU 20 H GLU 20 10.108 25.460 20.434 127 HA GLU 20 HA GLU 20 11.580 24.269 18.259 128 HB2 GLU 20 HB2 GLU 20 11.898 26.580 19.253 129 HB3 GLU 20 HB3 GLU 20 12.612 25.813 20.666 130 HG2 GLU 20 HG2 GLU 20 14.371 26.584 19.205 131 HG3 GLU 20 HG3 GLU 20 14.369 24.819 19.209 132 H LYS 21 H LYS 21 12.437 22.329 18.211 133 HA LYS 21 HA LYS 21 13.880 21.172 20.460 134 HB2 LYS 21 HB2 LYS 21 11.442 20.470 20.774 135 HB3 LYS 21 HB3 LYS 21 11.565 19.598 19.247 136 HG2 LYS 21 HG2 LYS 21 13.409 18.209 20.248 137 HG3 LYS 21 HG3 LYS 21 13.215 19.101 21.772 138 HD2 LYS 21 HD2 LYS 21 10.915 18.247 22.016 139 HD3 LYS 21 HD3 LYS 21 11.031 17.466 20.435 140 HE2 LYS 21 HE2 LYS 21 11.419 15.707 21.901 141 HE3 LYS 21 HE3 LYS 21 13.038 16.155 21.351 142 HZ1 LYS 21 HZ1 LYS 21 13.336 17.339 23.487 143 HZ2 LYS 21 HZ2 LYS 21 12.913 15.772 23.743 144 HZ3 LYS 21 HZ3 LYS 21 11.803 16.958 23.939 145 H LYS 22 H LYS 22 15.409 19.615 19.755 146 HA LYS 22 HA LYS 22 16.351 19.772 17.037 147 HB2 LYS 22 HB2 LYS 22 16.896 17.642 19.130 148 HB3 LYS 22 HB3 LYS 22 17.846 17.897 17.675 149 HG2 LYS 22 HG2 LYS 22 17.588 19.933 19.943 150 HG3 LYS 22 HG3 LYS 22 18.865 18.751 19.772 151 HD2 LYS 22 HD2 LYS 22 19.822 20.701 19.028 152 HD3 LYS 22 HD3 LYS 22 19.452 19.828 17.545 153 HE2 LYS 22 HE2 LYS 22 17.541 21.297 17.105 154 HE3 LYS 22 HE3 LYS 22 17.713 22.060 18.692 155 HZ1 LYS 22 HZ1 LYS 22 19.777 22.151 16.562 156 HZ2 LYS 22 HZ2 LYS 22 19.831 22.952 17.999 157 HZ3 LYS 22 HZ3 LYS 22 18.721 23.368 16.863 158 HA PRO 23 HA PRO 23 13.474 17.495 14.945 159 HB2 PRO 23 HB2 PRO 23 14.729 16.498 12.709 160 HB3 PRO 23 HB3 PRO 23 14.441 18.238 13.013 161 HG2 PRO 23 HG2 PRO 23 16.968 16.651 13.571 162 HG3 PRO 23 HG3 PRO 23 16.813 18.227 12.731 163 HD2 PRO 23 HD2 PRO 23 17.485 18.083 15.354 164 HD3 PRO 23 HD3 PRO 23 16.394 19.366 14.753 165 H LEU 24 H LEU 24 12.362 15.648 14.979 166 HA LEU 24 HA LEU 24 13.688 13.003 15.411 167 HB2 LEU 24 HB2 LEU 24 11.368 14.235 16.956 168 HB3 LEU 24 HB3 LEU 24 11.828 12.545 17.076 169 HG LEU 24 HG LEU 24 13.656 14.855 17.857 170 HD11 LEU 24 HD11 LEU 24 11.950 13.008 19.578 171 HD12 LEU 24 HD12 LEU 24 11.687 14.746 19.321 172 HD13 LEU 24 HD13 LEU 24 13.142 14.185 20.174 173 HD21 LEU 24 HD21 LEU 24 14.964 13.113 18.987 174 HD22 LEU 24 HD22 LEU 24 14.864 12.756 17.262 175 HD23 LEU 24 HD23 LEU 24 13.839 11.866 18.411 176 H LYS 25 H LYS 25 12.094 11.170 15.094 177 HA LYS 25 HA LYS 25 10.284 11.729 12.780 178 HB2 LYS 25 HB2 LYS 25 11.394 9.095 13.813 179 HB3 LYS 25 HB3 LYS 25 10.376 9.305 12.390 180 HG2 LYS 25 HG2 LYS 25 12.125 10.601 11.265 181 HG3 LYS 25 HG3 LYS 25 13.164 10.512 12.703 182 HD2 LYS 25 HD2 LYS 25 13.270 8.062 12.532 183 HD3 LYS 25 HD3 LYS 25 12.179 8.093 11.131 184 HE2 LYS 25 HE2 LYS 25 13.821 9.446 9.871 185 HE3 LYS 25 HE3 LYS 25 14.926 9.418 11.254 186 HZ1 LYS 25 HZ1 LYS 25 15.381 7.704 9.504 187 HZ2 LYS 25 HZ2 LYS 25 13.987 6.957 9.859 188 HZ3 LYS 25 HZ3 LYS 25 15.175 7.030 10.975 189 HA PRO 26 HA PRO 26 6.589 10.427 15.221 190 HB2 PRO 26 HB2 PRO 26 5.879 9.206 12.558 191 HB3 PRO 26 HB3 PRO 26 4.848 10.153 13.675 192 HG2 PRO 26 HG2 PRO 26 5.845 11.311 11.437 193 HG3 PRO 26 HG3 PRO 26 5.872 12.210 12.990 194 HD2 PRO 26 HD2 PRO 26 8.128 10.635 11.699 195 HD3 PRO 26 HD3 PRO 26 8.159 12.292 12.387 196 H CYS 27 H CYS 27 6.032 8.395 16.160 197 HA CYS 27 HA CYS 27 8.379 6.692 16.049 198 HB2 CYS 27 HB2 CYS 27 6.090 6.869 18.014 199 HB3 CYS 27 HB3 CYS 27 7.505 5.813 18.200 200 HG CYS 27 HG CYS 27 9.301 7.776 17.885 201 H CYS 28 H CYS 28 8.607 4.968 14.941 202 HA CYS 28 HA CYS 28 8.367 3.086 13.788 203 HB2 CYS 28 HB2 CYS 28 7.509 2.324 16.037 204 HB3 CYS 28 HB3 CYS 28 5.871 2.464 15.374 205 HG CYS 28 HG CYS 28 6.564 -0.046 15.355 206 H ALA 29 H ALA 29 7.202 1.862 12.159 207 HA ALA 29 HA ALA 29 4.768 2.920 10.973 208 HB1 ALA 29 HB1 ALA 29 5.839 3.439 8.785 209 HB2 ALA 29 HB2 ALA 29 6.468 4.482 10.067 210 HB3 ALA 29 HB3 ALA 29 7.437 3.115 9.495 211 H SER 30 H SER 30 4.403 1.633 8.818 212 HA SER 30 HA SER 30 5.627 -1.109 8.897 213 HB2 SER 30 HB2 SER 30 2.895 -0.307 7.872 214 HB3 SER 30 HB3 SER 30 3.684 -1.873 7.577 215 HG SER 30 HG SER 30 2.481 -2.172 9.352 216 HA PRO 31 HA PRO 31 7.216 1.533 5.325 217 HB2 PRO 31 HB2 PRO 31 9.806 0.606 5.351 218 HB3 PRO 31 HB3 PRO 31 9.214 1.914 6.413 219 HG2 PRO 31 HG2 PRO 31 9.439 -1.049 7.071 220 HG3 PRO 31 HG3 PRO 31 10.084 0.338 8.007 221 HD2 PRO 31 HD2 PRO 31 7.730 -0.727 8.692 222 HD3 PRO 31 HD3 PRO 31 7.888 1.050 8.610 223 H GLU 32 H GLU 32 7.362 -1.960 5.969 224 HA GLU 32 HA GLU 32 8.091 -2.809 3.323 225 HB2 GLU 32 HB2 GLU 32 6.278 -4.386 5.171 226 HB3 GLU 32 HB3 GLU 32 7.383 -4.957 3.945 227 HG2 GLU 32 HG2 GLU 32 8.519 -5.484 5.840 228 HG3 GLU 32 HG3 GLU 32 9.265 -3.937 5.410 229 H THR 33 H THR 33 4.937 -2.047 4.840 230 HA THR 33 HA THR 33 3.410 -2.802 2.517 231 HB THR 33 HB THR 33 1.521 -1.614 3.432 232 HG1 THR 33 HG1 THR 33 3.354 -0.538 5.312 233 HG21 THR 33 HG21 THR 33 1.254 -2.653 5.618 234 HG22 THR 33 HG22 THR 33 2.991 -3.006 5.691 235 HG23 THR 33 HG23 THR 33 1.974 -3.782 4.459 236 H LYS 34 H LYS 34 4.922 0.217 3.582 237 HA LYS 34 HA LYS 34 3.801 1.956 1.570 238 HB2 LYS 34 HB2 LYS 34 4.617 3.089 3.399 239 HB3 LYS 34 HB3 LYS 34 6.036 2.061 3.563 240 HG2 LYS 34 HG2 LYS 34 7.158 3.091 1.736 241 HG3 LYS 34 HG3 LYS 34 5.727 4.051 1.294 242 HD2 LYS 34 HD2 LYS 34 5.918 5.345 3.368 243 HD3 LYS 34 HD3 LYS 34 7.180 4.252 3.967 244 HE2 LYS 34 HE2 LYS 34 8.335 6.155 3.172 245 HE3 LYS 34 HE3 LYS 34 8.604 4.857 2.002 246 HZ1 LYS 34 HZ1 LYS 34 8.112 6.972 0.951 247 HZ2 LYS 34 HZ2 LYS 34 6.643 7.086 1.658 248 HZ3 LYS 34 HZ3 LYS 34 6.960 5.895 0.552 249 H LYS 35 H LYS 35 6.940 0.191 1.618 250 HA LYS 35 HA LYS 35 7.460 0.947 -1.158 251 HB2 LYS 35 HB2 LYS 35 8.781 -1.029 0.715 252 HB3 LYS 35 HB3 LYS 35 9.169 -0.944 -1.000 253 HG2 LYS 35 HG2 LYS 35 10.739 0.530 -0.346 254 HG3 LYS 35 HG3 LYS 35 9.432 1.666 -0.534 255 HD2 LYS 35 HD2 LYS 35 10.624 2.104 1.536 256 HD3 LYS 35 HD3 LYS 35 8.987 1.591 1.898 257 HE2 LYS 35 HE2 LYS 35 10.667 0.571 3.421 258 HE3 LYS 35 HE3 LYS 35 9.731 -0.638 2.539 259 HZ1 LYS 35 HZ1 LYS 35 11.624 -0.851 0.994 260 HZ2 LYS 35 HZ2 LYS 35 12.047 -1.233 2.516 261 HZ3 LYS 35 HZ3 LYS 35 12.489 0.225 1.884 262 H ALA 36 H ALA 36 5.851 -1.919 0.281 263 HA ALA 36 HA ALA 36 5.520 -3.276 -2.218 264 HB1 ALA 36 HB1 ALA 36 3.746 -3.295 0.259 265 HB2 ALA 36 HB2 ALA 36 3.696 -4.469 -1.068 266 HB3 ALA 36 HB3 ALA 36 5.137 -4.359 -0.051 267 H ARG 37 H ARG 37 3.600 -0.652 -0.734 268 HA ARG 37 HA ARG 37 1.535 -0.553 -2.730 269 HB2 ARG 37 HB2 ARG 37 1.353 0.490 -0.472 270 HB3 ARG 37 HB3 ARG 37 2.600 1.645 -0.925 271 HG2 ARG 37 HG2 ARG 37 1.127 2.474 -2.779 272 HG3 ARG 37 HG3 ARG 37 -0.112 1.313 -2.298 273 HD2 ARG 37 HD2 ARG 37 -0.530 3.638 -1.471 274 HD3 ARG 37 HD3 ARG 37 -0.446 2.428 -0.188 275 HE ARG 37 HE ARG 37 1.300 3.537 0.729 276 HH11 ARG 37 HH11 ARG 37 1.242 4.568 -2.689 277 HH12 ARG 37 HH12 ARG 37 2.624 5.624 -2.485 278 HH21 ARG 37 HH21 ARG 37 3.057 4.897 0.938 279 HH22 ARG 37 HH22 ARG 37 3.643 5.818 -0.430 280 H ASP 38 H ASP 38 4.543 1.422 -2.326 281 HA ASP 38 HA ASP 38 4.415 2.899 -4.725 282 HB2 ASP 38 HB2 ASP 38 6.697 1.897 -2.993 283 HB3 ASP 38 HB3 ASP 38 7.041 2.644 -4.542 284 H ALA 39 H ALA 39 5.860 -0.364 -4.193 285 HA ALA 39 HA ALA 39 6.625 -0.789 -6.893 286 HB1 ALA 39 HB1 ALA 39 6.004 -2.780 -4.682 287 HB2 ALA 39 HB2 ALA 39 6.927 -3.098 -6.167 288 HB3 ALA 39 HB3 ALA 39 7.564 -1.973 -4.959 289 H CYS 40 H CYS 40 3.554 -1.723 -5.189 290 HA CYS 40 HA CYS 40 2.407 -3.045 -7.466 291 HB2 CYS 40 HB2 CYS 40 1.643 -3.187 -5.079 292 HB3 CYS 40 HB3 CYS 40 0.941 -1.577 -5.237 293 H ILE 41 H ILE 41 2.353 0.380 -6.431 294 HA ILE 41 HA ILE 41 0.816 1.286 -8.708 295 HB ILE 41 HB ILE 41 2.330 2.605 -6.465 296 HG12 ILE 41 HG12 ILE 41 0.099 3.753 -6.219 297 HG13 ILE 41 HG13 ILE 41 -0.494 2.824 -7.595 298 HG21 ILE 41 HG21 ILE 41 1.738 4.838 -7.365 299 HG22 ILE 41 HG22 ILE 41 2.952 4.037 -8.354 300 HG23 ILE 41 HG23 ILE 41 1.250 4.089 -8.892 301 HD11 ILE 41 HD11 ILE 41 -1.342 1.935 -5.504 302 HD12 ILE 41 HD12 ILE 41 -0.276 0.742 -6.250 303 HD13 ILE 41 HD13 ILE 41 0.292 1.726 -4.879 304 H ILE 42 H ILE 42 4.327 0.846 -8.247 305 HA ILE 42 HA ILE 42 5.049 1.890 -10.862 306 HB ILE 42 HB ILE 42 6.381 0.071 -8.864 307 HG12 ILE 42 HG12 ILE 42 7.257 2.751 -10.005 308 HG13 ILE 42 HG13 ILE 42 6.165 2.639 -8.637 309 HG21 ILE 42 HG21 ILE 42 8.460 0.110 -10.231 310 HG22 ILE 42 HG22 ILE 42 7.188 -0.816 -10.993 311 HG23 ILE 42 HG23 ILE 42 7.553 0.831 -11.573 312 HD11 ILE 42 HD11 ILE 42 9.036 1.630 -8.701 313 HD12 ILE 42 HD12 ILE 42 8.391 3.011 -7.803 314 HD13 ILE 42 HD13 ILE 42 7.899 1.365 -7.358 315 H GLU 43 H GLU 43 3.867 -1.300 -9.856 316 HA GLU 43 HA GLU 43 4.333 -2.441 -12.526 317 HB2 GLU 43 HB2 GLU 43 3.142 -3.503 -9.945 318 HB3 GLU 43 HB3 GLU 43 3.223 -4.463 -11.418 319 HG2 GLU 43 HG2 GLU 43 5.705 -3.213 -10.161 320 HG3 GLU 43 HG3 GLU 43 5.099 -4.804 -9.716 321 H LYS 44 H LYS 44 1.351 -1.891 -10.590 322 HA LYS 44 HA LYS 44 -0.264 -2.382 -13.078 323 HB2 LYS 44 HB2 LYS 44 -1.199 -2.652 -10.209 324 HB3 LYS 44 HB3 LYS 44 -1.989 -3.202 -11.696 325 HG2 LYS 44 HG2 LYS 44 -0.079 -4.817 -12.031 326 HG3 LYS 44 HG3 LYS 44 0.492 -4.399 -10.407 327 HD2 LYS 44 HD2 LYS 44 -2.258 -5.530 -11.092 328 HD3 LYS 44 HD3 LYS 44 -0.905 -6.467 -10.459 329 HE2 LYS 44 HE2 LYS 44 -0.939 -5.145 -8.366 330 HE3 LYS 44 HE3 LYS 44 -2.279 -4.171 -9.001 331 HZ1 LYS 44 HZ1 LYS 44 -2.349 -7.072 -8.398 332 HZ2 LYS 44 HZ2 LYS 44 -3.552 -6.281 -9.202 333 HZ3 LYS 44 HZ3 LYS 44 -3.220 -5.899 -7.654 334 H GLY 45 H GLY 45 0.034 -0.225 -10.304 335 HA2 GLY 45 HA2 GLY 45 -0.538 2.081 -10.308 336 HA3 GLY 45 HA3 GLY 45 -1.644 1.841 -11.648 337 H GLU 46 H GLU 46 -2.415 3.365 -9.591 338 HA GLU 46 HA GLU 46 -3.203 2.165 -7.208 339 HB2 GLU 46 HB2 GLU 46 -4.187 4.711 -8.539 340 HB3 GLU 46 HB3 GLU 46 -4.674 4.222 -6.908 341 HG2 GLU 46 HG2 GLU 46 -2.340 4.158 -6.168 342 HG3 GLU 46 HG3 GLU 46 -1.806 4.646 -7.788 343 H GLU 47 H GLU 47 -5.142 2.166 -10.164 344 HA GLU 47 HA GLU 47 -7.636 1.557 -8.759 345 HB2 GLU 47 HB2 GLU 47 -7.031 1.194 -11.709 346 HB3 GLU 47 HB3 GLU 47 -8.614 1.307 -10.939 347 HG2 GLU 47 HG2 GLU 47 -6.547 3.512 -11.276 348 HG3 GLU 47 HG3 GLU 47 -8.136 3.399 -12.029 349 H HIS 48 H HIS 48 -4.933 -0.314 -9.707 350 HA HIS 48 HA HIS 48 -6.389 -2.922 -9.656 351 HB2 HIS 48 HB2 HIS 48 -3.625 -2.034 -10.538 352 HB3 HIS 48 HB3 HIS 48 -4.097 -3.727 -10.415 353 HD1 HIS 48 HD1 HIS 48 -4.940 -0.626 -12.595 354 HD2 HIS 48 HD2 HIS 48 -5.371 -4.818 -12.372 355 HE1 HIS 48 HE1 HIS 48 -5.855 -1.378 -14.839 356 H CYS 49 H CYS 49 -4.712 -0.900 -7.519 357 HA CYS 49 HA CYS 49 -3.518 -3.143 -5.969 358 HB2 CYS 49 HB2 CYS 49 -2.836 -0.207 -6.154 359 HB3 CYS 49 HB3 CYS 49 -2.069 -1.326 -5.025 360 H GLY 50 H GLY 50 -6.417 -2.247 -5.772 361 HA2 GLY 50 HA2 GLY 50 -6.931 -0.586 -3.600 362 HA3 GLY 50 HA3 GLY 50 -8.014 -1.838 -4.204 363 H HIS 51 H HIS 51 -6.117 -4.086 -3.406 364 HA HIS 51 HA HIS 51 -6.911 -4.237 -0.571 365 HB2 HIS 51 HB2 HIS 51 -5.252 -6.180 -2.210 366 HB3 HIS 51 HB3 HIS 51 -5.938 -6.456 -0.617 367 HD1 HIS 51 HD1 HIS 51 -8.777 -6.559 -0.566 368 HD2 HIS 51 HD2 HIS 51 -6.728 -6.886 -4.240 369 HE1 HIS 51 HE1 HIS 51 -10.364 -7.711 -2.169 370 H LEU 52 H LEU 52 -3.917 -3.644 -2.426 371 HA LEU 52 HA LEU 52 -2.167 -3.655 -0.126 372 HB2 LEU 52 HB2 LEU 52 -1.732 -3.695 -2.812 373 HB3 LEU 52 HB3 LEU 52 -1.579 -1.973 -2.557 374 HG LEU 52 HG LEU 52 0.603 -2.835 -2.460 375 HD11 LEU 52 HD11 LEU 52 -0.121 -2.725 0.491 376 HD12 LEU 52 HD12 LEU 52 0.036 -1.295 -0.543 377 HD13 LEU 52 HD13 LEU 52 1.434 -2.355 -0.261 378 HD21 LEU 52 HD21 LEU 52 0.122 -5.210 -2.209 379 HD22 LEU 52 HD22 LEU 52 -0.345 -4.976 -0.511 380 HD23 LEU 52 HD23 LEU 52 1.329 -4.708 -1.026 381 H ILE 53 H ILE 53 -3.914 -1.072 -1.895 382 HA ILE 53 HA ILE 53 -3.096 1.134 -0.267 383 HB ILE 53 HB ILE 53 -5.550 0.672 -1.967 384 HG12 ILE 53 HG12 ILE 53 -3.145 2.485 -2.495 385 HG13 ILE 53 HG13 ILE 53 -3.128 0.787 -2.963 386 HG21 ILE 53 HG21 ILE 53 -6.153 2.397 -0.339 387 HG22 ILE 53 HG22 ILE 53 -4.617 3.249 -0.608 388 HG23 ILE 53 HG23 ILE 53 -5.850 3.174 -1.879 389 HD11 ILE 53 HD11 ILE 53 -5.093 2.869 -3.953 390 HD12 ILE 53 HD12 ILE 53 -3.813 2.048 -4.867 391 HD13 ILE 53 HD13 ILE 53 -5.211 1.121 -4.271 392 H GLU 54 H GLU 54 -5.936 -1.051 0.005 393 HA GLU 54 HA GLU 54 -7.052 0.093 2.373 394 HB2 GLU 54 HB2 GLU 54 -8.184 -1.492 0.917 395 HB3 GLU 54 HB3 GLU 54 -7.095 -2.794 1.429 396 HG2 GLU 54 HG2 GLU 54 -7.960 -2.557 3.753 397 HG3 GLU 54 HG3 GLU 54 -9.034 -1.258 3.215 398 H ALA 55 H ALA 55 -4.640 -2.535 2.049 399 HA ALA 55 HA ALA 55 -4.282 -2.966 4.866 400 HB1 ALA 55 HB1 ALA 55 -2.266 -4.206 4.133 401 HB2 ALA 55 HB2 ALA 55 -3.679 -4.619 3.145 402 HB3 ALA 55 HB3 ALA 55 -2.436 -3.524 2.500 403 H HIS 56 H HIS 56 -2.602 -0.779 2.576 404 HA HIS 56 HA HIS 56 -0.613 0.157 4.415 405 HB2 HIS 56 HB2 HIS 56 -0.471 0.357 1.962 406 HB3 HIS 56 HB3 HIS 56 -1.835 1.474 1.956 407 HD1 HIS 56 HD1 HIS 56 -1.304 4.018 2.819 408 HD2 HIS 56 HD2 HIS 56 1.909 1.295 2.759 409 HE1 HIS 56 HE1 HIS 56 0.815 5.402 3.097 410 H LYS 57 H LYS 57 -3.820 1.599 3.489 411 HA LYS 57 HA LYS 57 -3.546 3.788 5.318 412 HB2 LYS 57 HB2 LYS 57 -5.777 4.360 4.862 413 HB3 LYS 57 HB3 LYS 57 -5.078 3.751 3.359 414 HG2 LYS 57 HG2 LYS 57 -6.260 1.632 3.610 415 HG3 LYS 57 HG3 LYS 57 -6.875 2.119 5.191 416 HD2 LYS 57 HD2 LYS 57 -8.649 2.361 3.683 417 HD3 LYS 57 HD3 LYS 57 -8.128 3.978 4.159 418 HE2 LYS 57 HE2 LYS 57 -6.961 4.276 2.012 419 HE3 LYS 57 HE3 LYS 57 -7.308 2.595 1.568 420 HZ1 LYS 57 HZ1 LYS 57 -9.701 3.156 1.708 421 HZ2 LYS 57 HZ2 LYS 57 -8.955 3.985 0.531 422 HZ3 LYS 57 HZ3 LYS 57 -9.326 4.732 1.977 423 H GLU 58 H GLU 58 -5.089 0.591 5.775 424 HA GLU 58 HA GLU 58 -5.892 1.176 8.497 425 HB2 GLU 58 HB2 GLU 58 -5.583 -1.450 7.002 426 HB3 GLU 58 HB3 GLU 58 -6.199 -1.306 8.659 427 HG2 GLU 58 HG2 GLU 58 -7.951 0.274 7.881 428 HG3 GLU 58 HG3 GLU 58 -7.406 0.079 6.227 429 H SER 59 H SER 59 -2.888 -0.221 7.153 430 HA SER 59 HA SER 59 -1.657 -0.847 9.657 431 HB2 SER 59 HB2 SER 59 -0.390 0.054 7.037 432 HB3 SER 59 HB3 SER 59 0.507 -0.506 8.458 433 HG SER 59 HG SER 59 -1.359 -1.922 6.875 434 H MET 60 H MET 60 -1.468 2.235 7.719 435 HA MET 60 HA MET 60 -0.018 3.549 9.870 436 HB2 MET 60 HB2 MET 60 -1.431 4.814 7.511 437 HB3 MET 60 HB3 MET 60 -0.266 5.582 8.598 438 HG2 MET 60 HG2 MET 60 0.186 3.615 6.398 439 HG3 MET 60 HG3 MET 60 0.996 5.145 6.765 440 HE1 MET 60 HE1 MET 60 2.180 2.214 5.779 441 HE2 MET 60 HE2 MET 60 3.085 3.744 5.809 442 HE3 MET 60 HE3 MET 60 3.754 2.298 6.602 443 H ARG 61 H ARG 61 -3.482 3.191 9.228 444 HA ARG 61 HA ARG 61 -4.389 5.106 11.157 445 HB2 ARG 61 HB2 ARG 61 -5.847 4.046 9.538 446 HB3 ARG 61 HB3 ARG 61 -5.611 2.470 10.269 447 HG2 ARG 61 HG2 ARG 61 -6.645 4.700 12.020 448 HG3 ARG 61 HG3 ARG 61 -7.734 4.053 10.802 449 HD2 ARG 61 HD2 ARG 61 -6.344 2.328 12.887 450 HD3 ARG 61 HD3 ARG 61 -7.976 2.976 13.035 451 HE ARG 61 HE ARG 61 -8.576 1.743 10.966 452 HH11 ARG 61 HH11 ARG 61 -5.819 0.504 12.877 453 HH12 ARG 61 HH12 ARG 61 -6.009 -1.122 12.259 454 HH21 ARG 61 HH21 ARG 61 -8.773 -0.363 10.218 455 HH22 ARG 61 HH22 ARG 61 -7.677 -1.611 10.765 456 H ALA 62 H ALA 62 -3.358 1.659 11.535 457 HA ALA 62 HA ALA 62 -3.684 1.647 14.389 458 HB1 ALA 62 HB1 ALA 62 -2.314 -0.351 14.346 459 HB2 ALA 62 HB2 ALA 62 -3.448 -0.381 12.986 460 HB3 ALA 62 HB3 ALA 62 -1.736 0.018 12.714 461 H LEU 63 H LEU 63 -1.217 3.283 12.460 462 HA LEU 63 HA LEU 63 0.506 3.670 14.860 463 HB2 LEU 63 HB2 LEU 63 0.810 4.499 11.953 464 HB3 LEU 63 HB3 LEU 63 1.790 5.161 13.232 465 HG LEU 63 HG LEU 63 3.080 3.553 12.191 466 HD11 LEU 63 HD11 LEU 63 2.153 2.215 14.754 467 HD12 LEU 63 HD12 LEU 63 3.266 3.609 14.666 468 HD13 LEU 63 HD13 LEU 63 3.725 2.057 13.951 469 HD21 LEU 63 HD21 LEU 63 0.887 1.521 12.650 470 HD22 LEU 63 HD22 LEU 63 2.509 1.175 12.008 471 HD23 LEU 63 HD23 LEU 63 1.401 2.219 11.099 472 H GLY 64 H GLY 64 -2.353 5.067 13.811 473 HA2 GLY 64 HA2 GLY 64 -3.430 6.959 14.575 474 HA3 GLY 64 HA3 GLY 64 -2.092 7.230 15.684 475 H PHE 65 H PHE 65 -1.295 7.103 12.270 476 HA PHE 65 HA PHE 65 -1.406 10.070 12.077 477 HB2 PHE 65 HB2 PHE 65 0.841 10.196 11.158 478 HB3 PHE 65 HB3 PHE 65 0.732 9.699 12.820 479 HD1 PHE 65 HD1 PHE 65 0.784 7.681 9.523 480 HD2 PHE 65 HD2 PHE 65 2.548 8.459 13.406 481 HE1 PHE 65 HE1 PHE 65 2.493 5.978 9.103 482 HE2 PHE 65 HE2 PHE 65 4.266 6.735 12.948 483 HZ PHE 65 HZ PHE 65 4.247 5.496 10.803 484 H LYS 66 H LYS 66 -3.222 8.234 10.899 485 HA LYS 66 HA LYS 66 -2.871 9.255 8.110 486 HB2 LYS 66 HB2 LYS 66 -2.096 6.996 8.002 487 HB3 LYS 66 HB3 LYS 66 -3.503 6.349 8.809 488 HG2 LYS 66 HG2 LYS 66 -3.635 5.916 6.397 489 HG3 LYS 66 HG3 LYS 66 -4.855 7.118 6.772 490 HD2 LYS 66 HD2 LYS 66 -3.076 8.887 6.040 491 HD3 LYS 66 HD3 LYS 66 -2.213 7.513 5.337 492 HE2 LYS 66 HE2 LYS 66 -4.182 6.996 3.932 493 HE3 LYS 66 HE3 LYS 66 -5.120 8.245 4.760 494 HZ1 LYS 66 HZ1 LYS 66 -2.718 8.766 3.093 495 HZ2 LYS 66 HZ2 LYS 66 -3.589 9.918 3.884 496 HZ3 LYS 66 HZ3 LYS 66 -4.261 9.084 2.654 497 H ILE 67 H ILE 67 -5.215 7.971 10.419 498 HA ILE 67 HA ILE 67 -7.412 9.255 8.861 499 HB ILE 67 HB ILE 67 -7.665 6.649 10.383 500 HG12 ILE 67 HG12 ILE 67 -6.917 7.184 7.490 501 HG13 ILE 67 HG13 ILE 67 -6.131 6.145 8.658 502 HG21 ILE 67 HG21 ILE 67 -9.754 7.984 10.053 503 HG22 ILE 67 HG22 ILE 67 -9.449 8.003 8.302 504 HG23 ILE 67 HG23 ILE 67 -9.793 6.484 9.154 505 HD11 ILE 67 HD11 ILE 67 -7.198 4.741 7.059 506 HD12 ILE 67 HD12 ILE 67 -8.128 4.599 8.563 507 HD13 ILE 67 HD13 ILE 67 -8.742 5.589 7.217 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 73.347 -15.034 -11.851 2 H2 GLY 1 H2 GLY 1 72.362 -15.428 -10.589 3 H3 GLY 1 H3 GLY 1 71.855 -14.340 -11.717 4 HA2 GLY 1 HA2 GLY 1 71.780 -16.005 -13.411 5 HA3 GLY 1 HA3 GLY 1 72.446 -17.173 -12.254 6 H SER 2 H SER 2 69.739 -14.797 -12.316 7 HA SER 2 HA SER 2 67.827 -16.869 -11.362 8 HB2 SER 2 HB2 SER 2 66.901 -15.277 -9.739 9 HB3 SER 2 HB3 SER 2 68.578 -15.686 -9.354 10 HG SER 2 HG SER 2 67.754 -13.351 -9.392 11 H PHE 3 H PHE 3 65.533 -16.121 -11.620 12 HA PHE 3 HA PHE 3 65.243 -14.786 -14.228 13 HB2 PHE 3 HB2 PHE 3 63.169 -16.011 -12.389 14 HB3 PHE 3 HB3 PHE 3 62.873 -15.406 -14.010 15 HD1 PHE 3 HD2 PHE 3 65.660 -16.716 -15.101 16 HD2 PHE 3 HD1 PHE 3 62.147 -18.129 -13.030 17 HE1 PHE 3 HE2 PHE 3 65.982 -18.957 -16.083 18 HE2 PHE 3 HE1 PHE 3 62.478 -20.378 -14.030 19 HZ PHE 3 HZ PHE 3 64.393 -20.794 -15.562 20 H THR 4 H THR 4 63.708 -13.132 -14.674 21 HA THR 4 HA THR 4 63.819 -10.845 -12.934 22 HB THR 4 HB THR 4 62.145 -9.879 -14.573 23 HG1 THR 4 HG1 THR 4 62.081 -11.175 -16.559 24 HG21 THR 4 HG21 THR 4 64.610 -9.636 -14.798 25 HG22 THR 4 HG22 THR 4 63.780 -9.698 -16.354 26 HG23 THR 4 HG23 THR 4 64.659 -11.126 -15.770 27 H MET 5 H MET 5 62.256 -9.764 -11.823 28 HA MET 5 HA MET 5 59.978 -11.431 -10.786 29 HB2 MET 5 HB2 MET 5 61.970 -9.793 -9.194 30 HB3 MET 5 HB3 MET 5 60.529 -10.595 -8.556 31 HG2 MET 5 HG2 MET 5 61.421 -12.785 -9.245 32 HG3 MET 5 HG3 MET 5 62.837 -11.998 -9.942 33 HE1 MET 5 HE1 MET 5 61.040 -13.203 -6.742 34 HE2 MET 5 HE2 MET 5 62.009 -12.508 -5.424 35 HE3 MET 5 HE3 MET 5 60.970 -11.457 -6.407 36 HA PRO 6 HA PRO 6 58.070 -7.348 -11.823 37 HB2 PRO 6 HB2 PRO 6 55.753 -8.295 -12.895 38 HB3 PRO 6 HB3 PRO 6 57.271 -8.158 -13.836 39 HG2 PRO 6 HG2 PRO 6 56.176 -10.613 -12.423 40 HG3 PRO 6 HG3 PRO 6 56.750 -10.482 -14.117 41 HD2 PRO 6 HD2 PRO 6 58.356 -11.413 -12.139 42 HD3 PRO 6 HD3 PRO 6 59.014 -10.374 -13.433 43 H GLY 7 H GLY 7 56.471 -6.310 -10.647 44 HA2 GLY 7 HA2 GLY 7 54.761 -6.018 -9.067 45 HA3 GLY 7 HA3 GLY 7 54.768 -7.744 -8.709 46 H LEU 8 H LEU 8 57.903 -6.423 -8.655 47 HA LEU 8 HA LEU 8 58.009 -6.464 -5.671 48 HB2 LEU 8 HB2 LEU 8 60.032 -7.054 -7.822 49 HB3 LEU 8 HB3 LEU 8 60.546 -6.621 -6.206 50 HG LEU 8 HG LEU 8 60.549 -9.011 -6.574 51 HD11 LEU 8 HD11 LEU 8 59.531 -9.688 -4.490 52 HD12 LEU 8 HD12 LEU 8 58.513 -8.238 -4.453 53 HD13 LEU 8 HD13 LEU 8 60.280 -8.096 -4.296 54 HD21 LEU 8 HD21 LEU 8 57.513 -8.976 -6.586 55 HD22 LEU 8 HD22 LEU 8 58.584 -10.379 -6.696 56 HD23 LEU 8 HD23 LEU 8 58.524 -9.213 -8.031 57 H VAL 9 H VAL 9 56.791 -4.355 -6.293 58 HA VAL 9 HA VAL 9 58.475 -2.090 -5.692 59 HB VAL 9 HB VAL 9 57.301 -0.640 -7.368 60 HG11 VAL 9 HG11 VAL 9 58.843 -1.041 -9.182 61 HG12 VAL 9 HG12 VAL 9 59.671 -1.343 -7.647 62 HG13 VAL 9 HG13 VAL 9 59.127 -2.707 -8.647 63 HG21 VAL 9 HG21 VAL 9 56.460 -1.592 -9.460 64 HG22 VAL 9 HG22 VAL 9 56.688 -3.238 -8.847 65 HG23 VAL 9 HG23 VAL 9 55.482 -2.160 -8.109 66 H ASP 10 H ASP 10 57.388 -0.799 -4.388 67 HA ASP 10 HA ASP 10 54.611 -1.580 -3.551 68 HB2 ASP 10 HB2 ASP 10 57.047 -0.819 -1.920 69 HB3 ASP 10 HB3 ASP 10 55.413 -0.921 -1.256 70 H SER 11 H SER 11 53.487 -0.104 -4.677 71 HA SER 11 HA SER 11 53.214 2.501 -3.334 72 HB2 SER 11 HB2 SER 11 53.666 2.210 -6.325 73 HB3 SER 11 HB3 SER 11 52.863 3.616 -5.600 74 HG SER 11 HG SER 11 55.153 3.892 -5.876 75 H ASN 12 H ASN 12 51.708 0.445 -2.733 76 HA ASN 12 HA ASN 12 49.454 -0.066 -4.440 77 HB2 ASN 12 HB2 ASN 12 49.884 -0.679 -1.484 78 HB3 ASN 12 HB3 ASN 12 48.618 -1.363 -2.495 79 HD21 ASN 12 HD21 ASN 12 52.096 -1.429 -1.801 80 HD22 ASN 12 HD22 ASN 12 52.386 -2.878 -2.785 81 HA PRO 13 HA PRO 13 46.967 3.431 -3.501 82 HB2 PRO 13 HB2 PRO 13 44.456 2.639 -4.233 83 HB3 PRO 13 HB3 PRO 13 45.797 2.883 -5.393 84 HG2 PRO 13 HG2 PRO 13 44.883 0.279 -4.125 85 HG3 PRO 13 HG3 PRO 13 45.190 0.613 -5.860 86 HD2 PRO 13 HD2 PRO 13 47.060 -0.561 -4.279 87 HD3 PRO 13 HD3 PRO 13 47.526 0.634 -5.530 88 H ALA 14 H ALA 14 45.816 4.449 -1.896 89 HA ALA 14 HA ALA 14 45.732 3.207 0.612 90 HB1 ALA 14 HB1 ALA 14 44.729 5.327 1.378 91 HB2 ALA 14 HB2 ALA 14 46.098 5.590 0.283 92 HB3 ALA 14 HB3 ALA 14 44.436 5.794 -0.312 93 HA PRO 15 HA PRO 15 41.750 1.196 0.224 94 HB2 PRO 15 HB2 PRO 15 41.604 -0.147 2.585 95 HB3 PRO 15 HB3 PRO 15 42.788 -0.567 1.307 96 HG2 PRO 15 HG2 PRO 15 43.235 1.188 3.748 97 HG3 PRO 15 HG3 PRO 15 44.233 -0.191 3.184 98 HD2 PRO 15 HD2 PRO 15 44.848 2.399 2.574 99 HD3 PRO 15 HD3 PRO 15 45.135 1.068 1.410 100 HA PRO 16 HA PRO 16 38.693 3.710 2.395 101 HB2 PRO 16 HB2 PRO 16 37.049 1.196 2.596 102 HB3 PRO 16 HB3 PRO 16 36.576 2.807 1.971 103 HG2 PRO 16 HG2 PRO 16 37.102 0.774 0.255 104 HG3 PRO 16 HG3 PRO 16 37.731 2.420 -0.093 105 HD2 PRO 16 HD2 PRO 16 39.195 0.091 1.197 106 HD3 PRO 16 HD3 PRO 16 39.711 1.147 -0.152 107 H GLU 17 H GLU 17 37.626 3.973 4.462 108 HA GLU 17 HA GLU 17 38.466 2.072 6.626 109 HB2 GLU 17 HB2 GLU 17 39.106 3.856 8.049 110 HB3 GLU 17 HB3 GLU 17 39.998 3.974 6.536 111 HG2 GLU 17 HG2 GLU 17 38.402 5.758 5.771 112 HG3 GLU 17 HG3 GLU 17 37.601 5.681 7.350 113 H SER 18 H SER 18 35.806 3.665 5.228 114 HA SER 18 HA SER 18 34.254 3.592 7.772 115 HB2 SER 18 HB2 SER 18 33.606 4.900 5.119 116 HB3 SER 18 HB3 SER 18 32.665 5.017 6.616 117 HG SER 18 HG SER 18 34.643 6.520 5.859 118 H GLN 19 H GLN 19 33.237 1.804 8.190 119 HA GLN 19 HA GLN 19 31.923 0.185 6.030 120 HB2 GLN 19 HB2 GLN 19 33.752 -0.822 8.226 121 HB3 GLN 19 HB3 GLN 19 32.934 -1.840 7.045 122 HG2 GLN 19 HG2 GLN 19 35.076 0.211 6.357 123 HG3 GLN 19 HG3 GLN 19 35.348 -1.494 6.626 124 HE21 GLN 19 HE21 GLN 19 36.258 -0.637 4.343 125 HE22 GLN 19 HE22 GLN 19 35.242 -1.129 2.984 126 H GLU 20 H GLU 20 30.449 1.855 7.876 127 HA GLU 20 HA GLU 20 29.173 -0.118 9.758 128 HB2 GLU 20 HB2 GLU 20 29.564 2.882 9.980 129 HB3 GLU 20 HB3 GLU 20 28.511 1.951 11.032 130 HG2 GLU 20 HG2 GLU 20 30.405 0.573 11.788 131 HG3 GLU 20 HG3 GLU 20 31.493 1.429 10.693 132 H LYS 21 H LYS 21 26.864 0.019 10.131 133 HA LYS 21 HA LYS 21 25.221 1.702 8.378 134 HB2 LYS 21 HB2 LYS 21 25.834 -0.199 6.913 135 HB3 LYS 21 HB3 LYS 21 25.160 -1.331 8.088 136 HG2 LYS 21 HG2 LYS 21 22.929 -0.429 7.762 137 HG3 LYS 21 HG3 LYS 21 23.539 0.871 6.730 138 HD2 LYS 21 HD2 LYS 21 23.778 -2.089 6.068 139 HD3 LYS 21 HD3 LYS 21 22.436 -1.094 5.544 140 HE2 LYS 21 HE2 LYS 21 25.351 -0.577 4.792 141 HE3 LYS 21 HE3 LYS 21 24.165 -1.430 3.802 142 HZ1 LYS 21 HZ1 LYS 21 23.982 0.674 2.983 143 HZ2 LYS 21 HZ2 LYS 21 24.273 1.447 4.390 144 HZ3 LYS 21 HZ3 LYS 21 22.809 0.774 4.155 145 H LYS 22 H LYS 22 23.288 2.186 9.219 146 HA LYS 22 HA LYS 22 22.609 1.663 11.931 147 HB2 LYS 22 HB2 LYS 22 22.014 3.663 10.864 148 HB3 LYS 22 HB3 LYS 22 20.993 2.843 9.680 149 HG2 LYS 22 HG2 LYS 22 19.318 2.384 11.194 150 HG3 LYS 22 HG3 LYS 22 20.382 2.370 12.598 151 HD2 LYS 22 HD2 LYS 22 19.646 4.932 11.129 152 HD3 LYS 22 HD3 LYS 22 18.751 4.272 12.515 153 HE2 LYS 22 HE2 LYS 22 20.935 4.212 13.796 154 HE3 LYS 22 HE3 LYS 22 21.684 5.082 12.468 155 HZ1 LYS 22 HZ1 LYS 22 20.963 6.636 14.189 156 HZ2 LYS 22 HZ2 LYS 22 19.415 6.119 14.132 157 HZ3 LYS 22 HZ3 LYS 22 20.084 6.926 12.866 158 HA PRO 23 HA PRO 23 20.700 -2.431 11.506 159 HB2 PRO 23 HB2 PRO 23 19.505 -1.565 14.153 160 HB3 PRO 23 HB3 PRO 23 20.197 -3.154 13.712 161 HG2 PRO 23 HG2 PRO 23 21.653 -1.393 15.147 162 HG3 PRO 23 HG3 PRO 23 22.427 -2.270 13.785 163 HD2 PRO 23 HD2 PRO 23 21.359 0.559 13.845 164 HD3 PRO 23 HD3 PRO 23 22.864 -0.086 13.116 165 H LEU 24 H LEU 24 18.622 -3.458 11.413 166 HA LEU 24 HA LEU 24 16.257 -1.743 10.865 167 HB2 LEU 24 HB2 LEU 24 16.937 -4.687 10.597 168 HB3 LEU 24 HB3 LEU 24 15.268 -4.171 10.576 169 HG LEU 24 HG LEU 24 16.265 -4.558 8.339 170 HD11 LEU 24 HD11 LEU 24 15.280 -1.724 8.828 171 HD12 LEU 24 HD12 LEU 24 14.275 -3.179 8.628 172 HD13 LEU 24 HD13 LEU 24 15.262 -2.594 7.284 173 HD21 LEU 24 HD21 LEU 24 18.520 -3.570 8.692 174 HD22 LEU 24 HD22 LEU 24 17.782 -1.952 8.748 175 HD23 LEU 24 HD23 LEU 24 17.687 -2.923 7.272 176 H LYS 25 H LYS 25 14.848 -1.196 12.444 177 HA LYS 25 HA LYS 25 14.451 -2.937 14.832 178 HB2 LYS 25 HB2 LYS 25 14.749 -1.085 16.365 179 HB3 LYS 25 HB3 LYS 25 16.204 -1.283 15.410 180 HG2 LYS 25 HG2 LYS 25 15.707 0.642 14.076 181 HG3 LYS 25 HG3 LYS 25 14.063 0.771 14.690 182 HD2 LYS 25 HD2 LYS 25 14.918 1.258 16.955 183 HD3 LYS 25 HD3 LYS 25 16.582 1.192 16.359 184 HE2 LYS 25 HE2 LYS 25 14.460 3.097 15.258 185 HE3 LYS 25 HE3 LYS 25 15.519 3.510 16.614 186 HZ1 LYS 25 HZ1 LYS 25 16.487 2.818 13.889 187 HZ2 LYS 25 HZ2 LYS 25 17.433 3.147 15.176 188 HZ3 LYS 25 HZ3 LYS 25 16.487 4.318 14.551 189 HA PRO 26 HA PRO 26 10.133 -1.551 14.717 190 HB2 PRO 26 HB2 PRO 26 10.471 -0.715 17.600 191 HB3 PRO 26 HB3 PRO 26 9.159 -1.678 16.854 192 HG2 PRO 26 HG2 PRO 26 11.070 -2.926 18.284 193 HG3 PRO 26 HG3 PRO 26 10.542 -3.613 16.719 194 HD2 PRO 26 HD2 PRO 26 12.963 -1.889 17.293 195 HD3 PRO 26 HD3 PRO 26 12.879 -3.419 16.366 196 H CYS 27 H CYS 27 9.018 0.426 14.327 197 HA CYS 27 HA CYS 27 10.255 2.998 14.994 198 HB2 CYS 27 HB2 CYS 27 10.762 3.625 12.684 199 HB3 CYS 27 HB3 CYS 27 11.672 2.174 13.120 200 HG CYS 27 HG CYS 27 10.018 0.461 12.021 201 H CYS 28 H CYS 28 9.103 4.847 14.095 202 HA CYS 28 HA CYS 28 6.246 4.571 14.266 203 HB2 CYS 28 HB2 CYS 28 7.933 7.003 13.558 204 HB3 CYS 28 HB3 CYS 28 6.252 7.006 14.113 205 HG CYS 28 HG CYS 28 6.780 5.747 16.419 206 H ALA 29 H ALA 29 7.043 3.064 11.972 207 HA ALA 29 HA ALA 29 5.391 4.282 9.881 208 HB1 ALA 29 HB1 ALA 29 7.616 5.236 9.410 209 HB2 ALA 29 HB2 ALA 29 8.352 3.626 9.485 210 HB3 ALA 29 HB3 ALA 29 7.218 4.026 8.180 211 H SER 30 H SER 30 5.091 2.694 8.043 212 HA SER 30 HA SER 30 5.553 -0.167 8.822 213 HB2 SER 30 HB2 SER 30 3.149 1.002 7.395 214 HB3 SER 30 HB3 SER 30 3.496 -0.730 7.592 215 HG SER 30 HG SER 30 2.102 0.021 9.208 216 HA PRO 31 HA PRO 31 7.838 1.445 5.072 217 HB2 PRO 31 HB2 PRO 31 10.230 0.073 5.503 218 HB3 PRO 31 HB3 PRO 31 9.818 1.693 6.129 219 HG2 PRO 31 HG2 PRO 31 9.495 -0.984 7.535 220 HG3 PRO 31 HG3 PRO 31 10.260 0.521 8.163 221 HD2 PRO 31 HD2 PRO 31 7.743 0.022 8.845 222 HD3 PRO 31 HD3 PRO 31 8.166 1.642 8.248 223 H GLU 32 H GLU 32 7.384 -1.968 6.051 224 HA GLU 32 HA GLU 32 8.159 -3.032 3.439 225 HB2 GLU 32 HB2 GLU 32 6.427 -4.373 5.535 226 HB3 GLU 32 HB3 GLU 32 7.275 -5.133 4.209 227 HG2 GLU 32 HG2 GLU 32 8.687 -3.707 6.499 228 HG3 GLU 32 HG3 GLU 32 8.284 -5.416 6.479 229 H THR 33 H THR 33 4.992 -2.304 5.022 230 HA THR 33 HA THR 33 3.424 -3.005 2.710 231 HB THR 33 HB THR 33 1.596 -1.714 3.633 232 HG1 THR 33 HG1 THR 33 3.510 -0.774 5.496 233 HG21 THR 33 HG21 THR 33 1.301 -2.747 5.808 234 HG22 THR 33 HG22 THR 33 3.018 -3.153 5.899 235 HG23 THR 33 HG23 THR 33 1.991 -3.919 4.666 236 H LYS 34 H LYS 34 4.833 0.090 3.753 237 HA LYS 34 HA LYS 34 4.009 1.821 1.685 238 HB2 LYS 34 HB2 LYS 34 5.101 2.692 3.596 239 HB3 LYS 34 HB3 LYS 34 6.455 1.580 3.437 240 HG2 LYS 34 HG2 LYS 34 7.254 2.756 1.426 241 HG3 LYS 34 HG3 LYS 34 5.904 3.898 1.569 242 HD2 LYS 34 HD2 LYS 34 6.777 4.596 3.805 243 HD3 LYS 34 HD3 LYS 34 8.097 3.415 3.653 244 HE2 LYS 34 HE2 LYS 34 8.859 4.562 1.569 245 HE3 LYS 34 HE3 LYS 34 7.574 5.765 1.787 246 HZ1 LYS 34 HZ1 LYS 34 9.942 5.321 3.490 247 HZ2 LYS 34 HZ2 LYS 34 8.644 6.177 4.051 248 HZ3 LYS 34 HZ3 LYS 34 9.469 6.715 2.740 249 H LYS 35 H LYS 35 7.004 -0.188 1.727 250 HA LYS 35 HA LYS 35 7.778 0.469 -0.970 251 HB2 LYS 35 HB2 LYS 35 8.652 -1.467 1.137 252 HB3 LYS 35 HB3 LYS 35 8.899 -2.016 -0.505 253 HG2 LYS 35 HG2 LYS 35 10.880 -0.898 0.299 254 HG3 LYS 35 HG3 LYS 35 10.175 -0.090 -1.096 255 HD2 LYS 35 HD2 LYS 35 9.258 1.705 0.411 256 HD3 LYS 35 HD3 LYS 35 9.950 0.853 1.797 257 HE2 LYS 35 HE2 LYS 35 11.415 2.674 1.134 258 HE3 LYS 35 HE3 LYS 35 12.226 1.132 0.851 259 HZ1 LYS 35 HZ1 LYS 35 12.404 2.797 -0.996 260 HZ2 LYS 35 HZ2 LYS 35 10.817 2.665 -1.279 261 HZ3 LYS 35 HZ3 LYS 35 11.786 1.369 -1.522 262 H ALA 36 H ALA 36 5.870 -2.282 0.277 263 HA ALA 36 HA ALA 36 5.575 -3.604 -2.245 264 HB1 ALA 36 HB1 ALA 36 5.110 -4.731 -0.141 265 HB2 ALA 36 HB2 ALA 36 3.787 -3.608 0.226 266 HB3 ALA 36 HB3 ALA 36 3.652 -4.740 -1.138 267 H ARG 37 H ARG 37 3.495 -1.155 -0.656 268 HA ARG 37 HA ARG 37 1.489 -0.917 -2.631 269 HB2 ARG 37 HB2 ARG 37 1.383 0.071 -0.356 270 HB3 ARG 37 HB3 ARG 37 2.630 1.236 -0.800 271 HG2 ARG 37 HG2 ARG 37 1.150 2.169 -2.551 272 HG3 ARG 37 HG3 ARG 37 -0.107 0.980 -2.132 273 HD2 ARG 37 HD2 ARG 37 -0.315 1.918 0.101 274 HD3 ARG 37 HD3 ARG 37 1.060 3.004 -0.169 275 HE ARG 37 HE ARG 37 -1.691 3.339 -1.059 276 HH11 ARG 37 HH11 ARG 37 1.670 4.343 -1.713 277 HH12 ARG 37 HH12 ARG 37 1.177 5.796 -2.553 278 HH21 ARG 37 HH21 ARG 37 -2.276 5.224 -2.169 279 HH22 ARG 37 HH22 ARG 37 -1.049 6.276 -2.837 280 H ASP 38 H ASP 38 4.521 1.019 -2.279 281 HA ASP 38 HA ASP 38 4.224 2.537 -4.663 282 HB2 ASP 38 HB2 ASP 38 6.632 1.689 -3.002 283 HB3 ASP 38 HB3 ASP 38 6.821 2.597 -4.494 284 H ALA 39 H ALA 39 5.690 -0.689 -4.196 285 HA ALA 39 HA ALA 39 6.642 -0.965 -6.884 286 HB1 ALA 39 HB1 ALA 39 5.953 -3.042 -4.767 287 HB2 ALA 39 HB2 ALA 39 6.894 -3.330 -6.244 288 HB3 ALA 39 HB3 ALA 39 7.521 -2.240 -4.997 289 H CYS 40 H CYS 40 3.500 -1.899 -5.372 290 HA CYS 40 HA CYS 40 2.466 -3.155 -7.782 291 HB2 CYS 40 HB2 CYS 40 1.697 -3.516 -5.411 292 HB3 CYS 40 HB3 CYS 40 0.968 -1.914 -5.421 293 H ILE 41 H ILE 41 2.257 0.203 -6.445 294 HA ILE 41 HA ILE 41 0.670 1.217 -8.633 295 HB ILE 41 HB ILE 41 2.311 2.500 -6.454 296 HG12 ILE 41 HG12 ILE 41 0.135 3.652 -6.014 297 HG13 ILE 41 HG13 ILE 41 -0.582 2.818 -7.387 298 HG21 ILE 41 HG21 ILE 41 1.082 3.988 -8.825 299 HG22 ILE 41 HG22 ILE 41 1.660 4.745 -7.332 300 HG23 ILE 41 HG23 ILE 41 2.808 3.936 -8.389 301 HD11 ILE 41 HD11 ILE 41 -0.311 0.648 -6.158 302 HD12 ILE 41 HD12 ILE 41 0.348 1.573 -4.780 303 HD13 ILE 41 HD13 ILE 41 -1.311 1.824 -5.306 304 H ILE 42 H ILE 42 4.224 0.891 -8.220 305 HA ILE 42 HA ILE 42 4.931 1.941 -10.797 306 HB ILE 42 HB ILE 42 6.196 -0.006 -8.883 307 HG12 ILE 42 HG12 ILE 42 7.273 2.576 -10.080 308 HG13 ILE 42 HG13 ILE 42 6.242 2.541 -8.656 309 HG21 ILE 42 HG21 ILE 42 8.213 -0.213 -10.314 310 HG22 ILE 42 HG22 ILE 42 6.829 -1.012 -11.022 311 HG23 ILE 42 HG23 ILE 42 7.344 0.577 -11.640 312 HD11 ILE 42 HD11 ILE 42 9.006 1.278 -8.886 313 HD12 ILE 42 HD12 ILE 42 8.527 2.669 -7.916 314 HD13 ILE 42 HD13 ILE 42 7.914 1.064 -7.497 315 H GLU 43 H GLU 43 3.877 -1.363 -9.897 316 HA GLU 43 HA GLU 43 4.291 -2.487 -12.496 317 HB2 GLU 43 HB2 GLU 43 3.792 -3.440 -9.969 318 HB3 GLU 43 HB3 GLU 43 2.250 -3.731 -10.697 319 HG2 GLU 43 HG2 GLU 43 4.972 -4.785 -11.538 320 HG3 GLU 43 HG3 GLU 43 3.658 -5.658 -10.751 321 H LYS 44 H LYS 44 1.251 -1.484 -10.886 322 HA LYS 44 HA LYS 44 -0.228 -1.698 -13.508 323 HB2 LYS 44 HB2 LYS 44 -1.116 -2.453 -10.699 324 HB3 LYS 44 HB3 LYS 44 -2.102 -2.566 -12.162 325 HG2 LYS 44 HG2 LYS 44 -0.768 -4.285 -13.104 326 HG3 LYS 44 HG3 LYS 44 0.451 -4.167 -11.834 327 HD2 LYS 44 HD2 LYS 44 -1.205 -4.890 -10.140 328 HD3 LYS 44 HD3 LYS 44 -2.445 -4.979 -11.394 329 HE2 LYS 44 HE2 LYS 44 -1.666 -7.205 -10.927 330 HE3 LYS 44 HE3 LYS 44 -1.165 -6.761 -12.557 331 HZ1 LYS 44 HZ1 LYS 44 1.059 -6.450 -11.793 332 HZ2 LYS 44 HZ2 LYS 44 0.553 -7.888 -11.170 333 HZ3 LYS 44 HZ3 LYS 44 0.626 -6.562 -10.209 334 H GLY 45 H GLY 45 0.117 0.172 -10.557 335 HA2 GLY 45 HA2 GLY 45 -0.596 2.429 -10.280 336 HA3 GLY 45 HA3 GLY 45 -1.793 2.218 -11.550 337 H GLU 46 H GLU 46 -2.453 3.482 -9.242 338 HA GLU 46 HA GLU 46 -3.222 2.025 -6.988 339 HB2 GLU 46 HB2 GLU 46 -4.376 4.590 -8.161 340 HB3 GLU 46 HB3 GLU 46 -4.899 3.905 -6.624 341 HG2 GLU 46 HG2 GLU 46 -2.445 3.963 -5.891 342 HG3 GLU 46 HG3 GLU 46 -2.146 4.974 -7.312 343 H GLU 47 H GLU 47 -5.201 2.458 -9.930 344 HA GLU 47 HA GLU 47 -7.706 1.655 -8.723 345 HB2 GLU 47 HB2 GLU 47 -6.793 1.622 -11.616 346 HB3 GLU 47 HB3 GLU 47 -8.457 1.421 -11.103 347 HG2 GLU 47 HG2 GLU 47 -6.846 3.937 -10.475 348 HG3 GLU 47 HG3 GLU 47 -7.731 3.705 -11.970 349 H HIS 48 H HIS 48 -4.976 -0.177 -9.594 350 HA HIS 48 HA HIS 48 -6.494 -2.754 -9.714 351 HB2 HIS 48 HB2 HIS 48 -3.716 -2.107 -10.702 352 HB3 HIS 48 HB3 HIS 48 -4.652 -3.562 -11.054 353 HD1 HIS 48 HD1 HIS 48 -3.718 -0.440 -12.683 354 HD2 HIS 48 HD2 HIS 48 -7.231 -2.741 -12.390 355 HE1 HIS 48 HE1 HIS 48 -5.158 0.201 -14.676 356 H CYS 49 H CYS 49 -4.869 -0.955 -7.518 357 HA CYS 49 HA CYS 49 -3.588 -3.245 -6.079 358 HB2 CYS 49 HB2 CYS 49 -2.703 -0.361 -6.365 359 HB3 CYS 49 HB3 CYS 49 -1.958 -1.512 -5.257 360 H GLY 50 H GLY 50 -6.366 -1.872 -5.861 361 HA2 GLY 50 HA2 GLY 50 -6.600 -0.153 -3.716 362 HA3 GLY 50 HA3 GLY 50 -7.844 -1.261 -4.264 363 H HIS 51 H HIS 51 -6.315 -3.731 -3.437 364 HA HIS 51 HA HIS 51 -7.006 -3.623 -0.588 365 HB2 HIS 51 HB2 HIS 51 -6.044 -5.945 -2.267 366 HB3 HIS 51 HB3 HIS 51 -6.647 -6.033 -0.610 367 HD1 HIS 51 HD1 HIS 51 -7.920 -6.357 -4.032 368 HD2 HIS 51 HD2 HIS 51 -9.312 -4.765 -0.396 369 HE1 HIS 51 HE1 HIS 51 -10.418 -6.015 -4.324 370 H LEU 52 H LEU 52 -4.019 -3.473 -2.448 371 HA LEU 52 HA LEU 52 -2.275 -3.851 -0.140 372 HB2 LEU 52 HB2 LEU 52 -1.873 -3.873 -2.852 373 HB3 LEU 52 HB3 LEU 52 -1.446 -2.211 -2.519 374 HG LEU 52 HG LEU 52 0.567 -3.425 -2.497 375 HD11 LEU 52 HD11 LEU 52 -0.120 -3.307 0.465 376 HD12 LEU 52 HD12 LEU 52 0.287 -1.891 -0.519 377 HD13 LEU 52 HD13 LEU 52 1.476 -3.187 -0.287 378 HD21 LEU 52 HD21 LEU 52 -0.691 -5.458 -0.610 379 HD22 LEU 52 HD22 LEU 52 0.978 -5.472 -1.211 380 HD23 LEU 52 HD23 LEU 52 -0.366 -5.697 -2.340 381 H ILE 53 H ILE 53 -3.753 -1.115 -1.857 382 HA ILE 53 HA ILE 53 -2.841 1.045 -0.218 383 HB ILE 53 HB ILE 53 -5.254 0.585 -1.964 384 HG12 ILE 53 HG12 ILE 53 -2.913 2.503 -2.335 385 HG13 ILE 53 HG13 ILE 53 -2.837 0.821 -2.862 386 HG21 ILE 53 HG21 ILE 53 -6.002 2.235 -0.278 387 HG22 ILE 53 HG22 ILE 53 -4.576 3.239 -0.636 388 HG23 ILE 53 HG23 ILE 53 -5.825 2.962 -1.856 389 HD11 ILE 53 HD11 ILE 53 -3.495 2.147 -4.736 390 HD12 ILE 53 HD12 ILE 53 -4.865 1.143 -4.230 391 HD13 ILE 53 HD13 ILE 53 -4.832 2.881 -3.838 392 H GLU 54 H GLU 54 -5.721 -1.049 0.075 393 HA GLU 54 HA GLU 54 -6.827 -0.012 2.488 394 HB2 GLU 54 HB2 GLU 54 -8.035 -1.647 1.161 395 HB3 GLU 54 HB3 GLU 54 -6.771 -2.846 1.416 396 HG2 GLU 54 HG2 GLU 54 -7.275 -2.816 3.888 397 HG3 GLU 54 HG3 GLU 54 -8.622 -1.738 3.530 398 H ALA 55 H ALA 55 -4.402 -2.622 2.085 399 HA ALA 55 HA ALA 55 -4.121 -3.203 4.850 400 HB1 ALA 55 HB1 ALA 55 -2.068 -4.394 4.116 401 HB2 ALA 55 HB2 ALA 55 -3.444 -4.720 3.042 402 HB3 ALA 55 HB3 ALA 55 -2.172 -3.592 2.531 403 H HIS 56 H HIS 56 -2.175 -1.064 2.758 404 HA HIS 56 HA HIS 56 -0.362 -0.086 4.742 405 HB2 HIS 56 HB2 HIS 56 0.028 0.079 2.350 406 HB3 HIS 56 HB3 HIS 56 -1.417 1.055 2.131 407 HD1 HIS 56 HD1 HIS 56 -1.070 3.614 2.208 408 HD2 HIS 56 HD2 HIS 56 2.157 1.363 3.682 409 HE1 HIS 56 HE1 HIS 56 0.855 5.255 2.566 410 H LYS 57 H LYS 57 -3.580 1.254 3.671 411 HA LYS 57 HA LYS 57 -3.306 3.496 5.495 412 HB2 LYS 57 HB2 LYS 57 -5.329 4.290 4.724 413 HB3 LYS 57 HB3 LYS 57 -4.566 3.513 3.335 414 HG2 LYS 57 HG2 LYS 57 -6.012 1.508 3.713 415 HG3 LYS 57 HG3 LYS 57 -6.860 2.388 4.987 416 HD2 LYS 57 HD2 LYS 57 -6.764 3.075 2.022 417 HD3 LYS 57 HD3 LYS 57 -8.155 2.491 2.948 418 HE2 LYS 57 HE2 LYS 57 -8.001 4.611 4.349 419 HE3 LYS 57 HE3 LYS 57 -6.754 5.184 3.233 420 HZ1 LYS 57 HZ1 LYS 57 -8.815 6.069 2.542 421 HZ2 LYS 57 HZ2 LYS 57 -9.599 4.653 2.629 422 HZ3 LYS 57 HZ3 LYS 57 -8.479 4.884 1.429 423 H GLU 58 H GLU 58 -5.008 0.391 5.810 424 HA GLU 58 HA GLU 58 -6.117 1.041 8.421 425 HB2 GLU 58 HB2 GLU 58 -5.656 -1.627 7.036 426 HB3 GLU 58 HB3 GLU 58 -6.406 -1.451 8.629 427 HG2 GLU 58 HG2 GLU 58 -8.137 0.044 7.665 428 HG3 GLU 58 HG3 GLU 58 -7.447 -0.170 6.064 429 H SER 59 H SER 59 -2.986 -0.413 7.414 430 HA SER 59 HA SER 59 -1.939 -0.736 10.072 431 HB2 SER 59 HB2 SER 59 -0.889 -1.636 7.986 432 HB3 SER 59 HB3 SER 59 -0.427 0.017 7.543 433 HG SER 59 HG SER 59 0.495 -1.641 9.624 434 H MET 60 H MET 60 -1.803 2.134 7.835 435 HA MET 60 HA MET 60 -0.520 3.819 9.713 436 HB2 MET 60 HB2 MET 60 -1.363 4.059 7.070 437 HB3 MET 60 HB3 MET 60 -2.402 5.198 7.904 438 HG2 MET 60 HG2 MET 60 -0.358 6.293 7.141 439 HG3 MET 60 HG3 MET 60 -0.416 6.286 8.902 440 HE1 MET 60 HE1 MET 60 2.397 3.552 6.392 441 HE2 MET 60 HE2 MET 60 0.677 3.170 6.568 442 HE3 MET 60 HE3 MET 60 1.178 4.640 5.697 443 H ARG 61 H ARG 61 -4.010 3.211 9.309 444 HA ARG 61 HA ARG 61 -4.990 4.983 11.297 445 HB2 ARG 61 HB2 ARG 61 -6.344 3.756 9.653 446 HB3 ARG 61 HB3 ARG 61 -6.053 2.239 10.492 447 HG2 ARG 61 HG2 ARG 61 -7.326 4.593 11.916 448 HG3 ARG 61 HG3 ARG 61 -8.271 3.534 10.864 449 HD2 ARG 61 HD2 ARG 61 -7.759 1.591 12.234 450 HD3 ARG 61 HD3 ARG 61 -6.757 2.575 13.311 451 HE ARG 61 HE ARG 61 -9.487 3.545 12.945 452 HH11 ARG 61 HH11 ARG 61 -7.378 1.509 14.981 453 HH12 ARG 61 HH12 ARG 61 -8.446 1.615 16.363 454 HH21 ARG 61 HH21 ARG 61 -10.822 3.663 14.760 455 HH22 ARG 61 HH22 ARG 61 -10.386 2.839 16.241 456 H ALA 62 H ALA 62 -3.720 1.646 11.625 457 HA ALA 62 HA ALA 62 -3.934 1.535 14.500 458 HB1 ALA 62 HB1 ALA 62 -1.953 0.071 12.702 459 HB2 ALA 62 HB2 ALA 62 -2.371 -0.323 14.366 460 HB3 ALA 62 HB3 ALA 62 -3.591 -0.476 13.103 461 H LEU 63 H LEU 63 -1.439 3.085 12.460 462 HA LEU 63 HA LEU 63 0.448 3.354 14.651 463 HB2 LEU 63 HB2 LEU 63 0.385 4.935 12.043 464 HB3 LEU 63 HB3 LEU 63 1.703 4.798 13.193 465 HG LEU 63 HG LEU 63 0.790 2.832 11.133 466 HD11 LEU 63 HD11 LEU 63 3.532 3.618 12.175 467 HD12 LEU 63 HD12 LEU 63 2.728 4.269 10.722 468 HD13 LEU 63 HD13 LEU 63 3.181 2.566 10.785 469 HD21 LEU 63 HD21 LEU 63 2.102 1.047 12.269 470 HD22 LEU 63 HD22 LEU 63 0.595 1.470 13.075 471 HD23 LEU 63 HD23 LEU 63 2.141 2.081 13.731 472 H GLY 64 H GLY 64 -2.327 5.123 13.740 473 HA2 GLY 64 HA2 GLY 64 -3.472 6.574 15.206 474 HA3 GLY 64 HA3 GLY 64 -2.003 6.782 16.151 475 H PHE 65 H PHE 65 -0.709 7.405 13.274 476 HA PHE 65 HA PHE 65 -1.366 10.313 13.472 477 HB2 PHE 65 HB2 PHE 65 0.687 10.770 12.333 478 HB3 PHE 65 HB3 PHE 65 0.900 9.799 13.767 479 HD1 PHE 65 HD2 PHE 65 0.823 9.586 10.010 480 HD2 PHE 65 HD1 PHE 65 2.109 7.776 13.712 481 HE1 PHE 65 HE2 PHE 65 2.272 8.028 8.747 482 HE2 PHE 65 HE1 PHE 65 3.569 6.235 12.441 483 HZ PHE 65 HZ PHE 65 3.661 6.363 9.958 484 H LYS 66 H LYS 66 -2.964 8.159 11.875 485 HA LYS 66 HA LYS 66 -2.970 9.593 9.259 486 HB2 LYS 66 HB2 LYS 66 -2.547 7.229 9.141 487 HB3 LYS 66 HB3 LYS 66 -4.002 6.851 10.040 488 HG2 LYS 66 HG2 LYS 66 -4.445 6.400 7.752 489 HG3 LYS 66 HG3 LYS 66 -5.363 7.842 8.118 490 HD2 LYS 66 HD2 LYS 66 -2.620 7.944 6.798 491 HD3 LYS 66 HD3 LYS 66 -4.110 7.697 5.881 492 HE2 LYS 66 HE2 LYS 66 -5.005 9.865 6.736 493 HE3 LYS 66 HE3 LYS 66 -3.469 10.148 7.562 494 HZ1 LYS 66 HZ1 LYS 66 -2.409 9.897 5.313 495 HZ2 LYS 66 HZ2 LYS 66 -3.255 11.262 5.559 496 HZ3 LYS 66 HZ3 LYS 66 -3.915 10.058 4.650 497 H ILE 67 H ILE 67 -5.280 8.406 11.639 498 HA ILE 67 HA ILE 67 -7.183 10.619 11.179 499 HB ILE 67 HB ILE 67 -9.066 8.804 11.069 500 HG12 ILE 67 HG12 ILE 67 -6.802 7.160 9.866 501 HG13 ILE 67 HG13 ILE 67 -7.549 6.861 11.435 502 HG21 ILE 67 HG21 ILE 67 -7.385 9.249 8.585 503 HG22 ILE 67 HG22 ILE 67 -9.137 9.016 8.689 504 HG23 ILE 67 HG23 ILE 67 -8.423 10.492 9.321 505 HD11 ILE 67 HD11 ILE 67 -8.374 5.407 9.568 506 HD12 ILE 67 HD12 ILE 67 -9.672 6.322 10.376 507 HD13 ILE 67 HD13 ILE 67 -9.054 6.813 8.777 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 34.485 23.587 55.512 2 H2 GLY 1 H2 GLY 1 33.413 23.968 54.333 3 H3 GLY 1 H3 GLY 1 34.727 24.936 54.597 4 HA2 GLY 1 HA2 GLY 1 34.772 22.171 53.609 5 HA3 GLY 1 HA3 GLY 1 35.069 23.624 52.632 6 H SER 2 H SER 2 36.861 21.421 52.929 7 HA SER 2 HA SER 2 38.983 22.255 54.784 8 HB2 SER 2 HB2 SER 2 40.066 20.124 54.068 9 HB3 SER 2 HB3 SER 2 38.466 19.926 54.799 10 HG SER 2 HG SER 2 39.047 18.792 52.679 11 H PHE 3 H PHE 3 41.180 22.434 54.209 12 HA PHE 3 HA PHE 3 41.872 24.277 52.256 13 HB2 PHE 3 HB2 PHE 3 43.160 23.693 54.267 14 HB3 PHE 3 HB3 PHE 3 43.544 22.119 53.602 15 HD1 PHE 3 HD2 PHE 3 45.145 21.920 51.653 16 HD2 PHE 3 HD1 PHE 3 44.425 25.651 53.686 17 HE1 PHE 3 HE2 PHE 3 47.261 22.831 50.743 18 HE2 PHE 3 HE1 PHE 3 46.550 26.560 52.769 19 HZ PHE 3 HZ PHE 3 47.977 25.148 51.304 20 H THR 4 H THR 4 42.516 24.279 50.170 21 HA THR 4 HA THR 4 43.056 21.761 48.681 22 HB THR 4 HB THR 4 41.625 22.846 46.795 23 HG1 THR 4 HG1 THR 4 39.910 24.052 47.526 24 HG21 THR 4 HG21 THR 4 41.021 20.735 47.906 25 HG22 THR 4 HG22 THR 4 39.590 21.721 47.576 26 HG23 THR 4 HG23 THR 4 40.245 21.638 49.228 27 H MET 5 H MET 5 44.632 21.910 47.191 28 HA MET 5 HA MET 5 46.155 24.404 47.095 29 HB2 MET 5 HB2 MET 5 46.740 21.626 46.023 30 HB3 MET 5 HB3 MET 5 47.863 22.989 45.958 31 HG2 MET 5 HG2 MET 5 47.890 23.130 48.403 32 HG3 MET 5 HG3 MET 5 46.713 21.812 48.516 33 HE1 MET 5 HE1 MET 5 49.895 20.061 49.926 34 HE2 MET 5 HE2 MET 5 49.415 21.755 50.173 35 HE3 MET 5 HE3 MET 5 48.185 20.466 50.191 36 HA PRO 6 HA PRO 6 45.183 25.230 42.707 37 HB2 PRO 6 HB2 PRO 6 46.770 27.349 42.253 38 HB3 PRO 6 HB3 PRO 6 45.441 27.453 43.451 39 HG2 PRO 6 HG2 PRO 6 48.387 26.907 43.976 40 HG3 PRO 6 HG3 PRO 6 47.324 28.101 44.786 41 HD2 PRO 6 HD2 PRO 6 47.834 25.564 45.779 42 HD3 PRO 6 HD3 PRO 6 46.315 26.456 46.090 43 H GLY 7 H GLY 7 46.314 25.292 40.605 44 HA2 GLY 7 HA2 GLY 7 48.005 25.110 39.090 45 HA3 GLY 7 HA3 GLY 7 49.154 25.009 40.420 46 H LEU 8 H LEU 8 48.085 22.526 41.546 47 HA LEU 8 HA LEU 8 49.353 20.590 39.823 48 HB2 LEU 8 HB2 LEU 8 49.285 19.117 41.572 49 HB3 LEU 8 HB3 LEU 8 49.543 20.688 42.303 50 HG LEU 8 HG LEU 8 46.963 19.081 42.262 51 HD11 LEU 8 HD11 LEU 8 48.697 18.231 43.784 52 HD12 LEU 8 HD12 LEU 8 47.341 18.913 44.693 53 HD13 LEU 8 HD13 LEU 8 48.847 19.841 44.531 54 HD21 LEU 8 HD21 LEU 8 47.464 21.760 43.597 55 HD22 LEU 8 HD22 LEU 8 46.039 20.731 43.842 56 HD23 LEU 8 HD23 LEU 8 46.323 21.442 42.261 57 H VAL 9 H VAL 9 46.917 21.777 38.710 58 HA VAL 9 HA VAL 9 45.589 19.397 37.723 59 HB VAL 9 HB VAL 9 43.347 20.626 37.882 60 HG11 VAL 9 HG11 VAL 9 43.858 18.476 38.989 61 HG12 VAL 9 HG12 VAL 9 44.499 19.354 40.398 62 HG13 VAL 9 HG13 VAL 9 42.785 19.486 39.965 63 HG21 VAL 9 HG21 VAL 9 44.607 21.845 40.380 64 HG22 VAL 9 HG22 VAL 9 44.174 22.756 38.920 65 HG23 VAL 9 HG23 VAL 9 42.915 21.956 39.866 66 H ASP 10 H ASP 10 45.453 19.528 35.707 67 HA ASP 10 HA ASP 10 44.931 22.079 34.289 68 HB2 ASP 10 HB2 ASP 10 47.317 21.754 33.990 69 HB3 ASP 10 HB3 ASP 10 47.076 20.074 33.486 70 H SER 11 H SER 11 43.243 21.914 33.079 71 HA SER 11 HA SER 11 41.747 21.292 31.577 72 HB2 SER 11 HB2 SER 11 43.501 18.915 30.917 73 HB3 SER 11 HB3 SER 11 42.188 19.580 29.935 74 HG SER 11 HG SER 11 44.713 20.695 30.550 75 H ASN 12 H ASN 12 39.825 20.362 31.372 76 HA ASN 12 HA ASN 12 38.882 18.717 33.554 77 HB2 ASN 12 HB2 ASN 12 37.682 20.650 32.434 78 HB3 ASN 12 HB3 ASN 12 37.460 19.629 31.014 79 HD21 ASN 12 HD21 ASN 12 36.466 20.188 34.378 80 HD22 ASN 12 HD22 ASN 12 35.114 19.075 34.310 81 HA PRO 13 HA PRO 13 39.296 14.672 31.574 82 HB2 PRO 13 HB2 PRO 13 37.208 13.254 32.678 83 HB3 PRO 13 HB3 PRO 13 38.723 13.654 33.540 84 HG2 PRO 13 HG2 PRO 13 36.087 15.165 33.612 85 HG3 PRO 13 HG3 PRO 13 37.082 14.621 35.001 86 HD2 PRO 13 HD2 PRO 13 37.268 17.139 34.112 87 HD3 PRO 13 HD3 PRO 13 38.748 16.263 34.556 88 H ALA 14 H ALA 14 38.250 13.240 30.074 89 HA ALA 14 HA ALA 14 37.361 12.948 28.020 90 HB1 ALA 14 HB1 ALA 14 34.995 13.306 27.656 91 HB2 ALA 14 HB2 ALA 14 35.299 12.582 29.249 92 HB3 ALA 14 HB3 ALA 14 34.881 14.305 29.114 93 HA PRO 15 HA PRO 15 38.677 17.293 26.927 94 HB2 PRO 15 HB2 PRO 15 40.930 16.668 25.483 95 HB3 PRO 15 HB3 PRO 15 40.911 16.767 27.271 96 HG2 PRO 15 HG2 PRO 15 40.606 14.287 25.550 97 HG3 PRO 15 HG3 PRO 15 41.728 14.542 26.929 98 HD2 PRO 15 HD2 PRO 15 39.365 13.283 27.257 99 HD3 PRO 15 HD3 PRO 15 39.958 14.426 28.498 100 HA PRO 16 HA PRO 16 36.633 17.314 23.090 101 HB2 PRO 16 HB2 PRO 16 37.662 19.473 21.718 102 HB3 PRO 16 HB3 PRO 16 36.615 19.595 23.164 103 HG2 PRO 16 HG2 PRO 16 39.646 19.708 23.045 104 HG3 PRO 16 HG3 PRO 16 38.527 20.820 23.900 105 HD2 PRO 16 HD2 PRO 16 39.772 18.800 25.204 106 HD3 PRO 16 HD3 PRO 16 38.073 19.211 25.580 107 H GLU 17 H GLU 17 36.644 16.085 21.368 108 HA GLU 17 HA GLU 17 38.903 15.887 19.494 109 HB2 GLU 17 HB2 GLU 17 39.349 13.594 19.774 110 HB3 GLU 17 HB3 GLU 17 39.302 14.221 21.421 111 HG2 GLU 17 HG2 GLU 17 36.844 13.439 21.496 112 HG3 GLU 17 HG3 GLU 17 37.161 12.675 19.921 113 H SER 18 H SER 18 38.275 14.250 17.654 114 HA SER 18 HA SER 18 35.823 15.182 16.555 115 HB2 SER 18 HB2 SER 18 36.388 13.965 14.632 116 HB3 SER 18 HB3 SER 18 37.865 14.659 15.329 117 HG SER 18 HG SER 18 38.304 12.662 14.662 118 H GLN 19 H GLN 19 34.054 14.029 15.647 119 HA GLN 19 HA GLN 19 33.087 11.722 17.287 120 HB2 GLN 19 HB2 GLN 19 31.485 14.157 16.428 121 HB3 GLN 19 HB3 GLN 19 30.955 12.868 17.498 122 HG2 GLN 19 HG2 GLN 19 33.111 14.941 18.158 123 HG3 GLN 19 HG3 GLN 19 31.428 15.037 18.629 124 HE21 GLN 19 HE21 GLN 19 34.457 14.079 19.762 125 HE22 GLN 19 HE22 GLN 19 33.849 13.020 21.064 126 H GLU 20 H GLU 20 31.549 10.353 16.266 127 HA GLU 20 HA GLU 20 30.794 10.896 13.424 128 HB2 GLU 20 HB2 GLU 20 32.609 9.212 13.520 129 HB3 GLU 20 HB3 GLU 20 31.639 8.225 14.619 130 HG2 GLU 20 HG2 GLU 20 29.888 8.010 12.823 131 HG3 GLU 20 HG3 GLU 20 30.933 8.937 11.738 132 H LYS 21 H LYS 21 28.687 10.503 12.912 133 HA LYS 21 HA LYS 21 26.864 9.384 15.004 134 HB2 LYS 21 HB2 LYS 21 26.835 11.923 14.341 135 HB3 LYS 21 HB3 LYS 21 26.113 11.373 12.845 136 HG2 LYS 21 HG2 LYS 21 24.295 11.989 14.189 137 HG3 LYS 21 HG3 LYS 21 24.315 10.228 14.321 138 HD2 LYS 21 HD2 LYS 21 25.560 10.456 16.498 139 HD3 LYS 21 HD3 LYS 21 25.466 12.221 16.337 140 HE2 LYS 21 HE2 LYS 21 22.971 12.046 16.284 141 HE3 LYS 21 HE3 LYS 21 23.113 10.297 16.517 142 HZ1 LYS 21 HZ1 LYS 21 24.341 10.831 18.618 143 HZ2 LYS 21 HZ2 LYS 21 22.761 11.274 18.644 144 HZ3 LYS 21 HZ3 LYS 21 23.953 12.408 18.427 145 H LYS 22 H LYS 22 25.119 8.048 14.329 146 HA LYS 22 HA LYS 22 25.567 6.557 11.792 147 HB2 LYS 22 HB2 LYS 22 23.568 6.053 14.026 148 HB3 LYS 22 HB3 LYS 22 23.906 4.971 12.692 149 HG2 LYS 22 HG2 LYS 22 25.843 5.669 14.937 150 HG3 LYS 22 HG3 LYS 22 24.849 4.236 14.820 151 HD2 LYS 22 HD2 LYS 22 26.925 3.491 14.214 152 HD3 LYS 22 HD3 LYS 22 26.105 3.650 12.660 153 HE2 LYS 22 HE2 LYS 22 27.386 5.578 12.070 154 HE3 LYS 22 HE3 LYS 22 27.794 5.917 13.757 155 HZ1 LYS 22 HZ1 LYS 22 28.859 3.653 12.167 156 HZ2 LYS 22 HZ2 LYS 22 29.179 3.917 13.761 157 HZ3 LYS 22 HZ3 LYS 22 29.691 4.988 12.628 158 HA PRO 23 HA PRO 23 21.996 8.449 9.792 159 HB2 PRO 23 HB2 PRO 23 21.073 6.389 8.209 160 HB3 PRO 23 HB3 PRO 23 22.517 7.375 7.830 161 HG2 PRO 23 HG2 PRO 23 22.415 4.649 9.157 162 HG3 PRO 23 HG3 PRO 23 23.488 5.202 7.836 163 HD2 PRO 23 HD2 PRO 23 24.293 5.137 10.434 164 HD3 PRO 23 HD3 PRO 23 24.837 6.429 9.325 165 H LEU 24 H LEU 24 19.808 8.660 10.309 166 HA LEU 24 HA LEU 24 19.161 7.058 12.688 167 HB2 LEU 24 HB2 LEU 24 18.198 8.818 13.656 168 HB3 LEU 24 HB3 LEU 24 19.469 9.581 12.724 169 HG LEU 24 HG LEU 24 16.498 9.491 11.987 170 HD11 LEU 24 HD11 LEU 24 16.982 10.873 13.964 171 HD12 LEU 24 HD12 LEU 24 16.496 11.858 12.582 172 HD13 LEU 24 HD13 LEU 24 18.217 11.766 13.053 173 HD21 LEU 24 HD21 LEU 24 18.796 11.020 10.690 174 HD22 LEU 24 HD22 LEU 24 17.070 11.233 10.320 175 HD23 LEU 24 HD23 LEU 24 17.863 9.701 9.954 176 H LYS 25 H LYS 25 17.191 6.327 13.355 177 HA LYS 25 HA LYS 25 15.310 5.508 11.180 178 HB2 LYS 25 HB2 LYS 25 15.770 4.249 13.913 179 HB3 LYS 25 HB3 LYS 25 14.753 3.628 12.612 180 HG2 LYS 25 HG2 LYS 25 16.824 3.413 11.176 181 HG3 LYS 25 HG3 LYS 25 17.792 3.860 12.591 182 HD2 LYS 25 HD2 LYS 25 16.842 1.905 13.827 183 HD3 LYS 25 HD3 LYS 25 15.935 1.449 12.366 184 HE2 LYS 25 HE2 LYS 25 18.121 1.311 11.117 185 HE3 LYS 25 HE3 LYS 25 18.974 1.646 12.632 186 HZ1 LYS 25 HZ1 LYS 25 17.236 -0.700 12.088 187 HZ2 LYS 25 HZ2 LYS 25 17.940 -0.393 13.537 188 HZ3 LYS 25 HZ3 LYS 25 18.866 -0.720 12.199 189 HA PRO 26 HA PRO 26 11.980 7.626 13.490 190 HB2 PRO 26 HB2 PRO 26 9.774 6.457 12.423 191 HB3 PRO 26 HB3 PRO 26 10.784 7.601 11.483 192 HG2 PRO 26 HG2 PRO 26 10.879 4.566 11.443 193 HG3 PRO 26 HG3 PRO 26 10.805 5.688 10.049 194 HD2 PRO 26 HD2 PRO 26 13.164 4.624 10.968 195 HD3 PRO 26 HD3 PRO 26 13.073 6.271 10.276 196 H CYS 27 H CYS 27 10.480 7.038 15.241 197 HA CYS 27 HA CYS 27 11.507 4.899 16.801 198 HB2 CYS 27 HB2 CYS 27 8.981 6.558 17.161 199 HB3 CYS 27 HB3 CYS 27 9.728 5.553 18.411 200 HG CYS 27 HG CYS 27 10.201 8.180 18.719 201 H CYS 28 H CYS 28 8.549 4.993 14.811 202 HA CYS 28 HA CYS 28 8.382 2.067 14.823 203 HB2 CYS 28 HB2 CYS 28 7.195 2.806 16.947 204 HB3 CYS 28 HB3 CYS 28 6.051 3.702 15.926 205 HG CYS 28 HG CYS 28 4.936 1.448 16.701 206 H ALA 29 H ALA 29 7.755 1.448 12.742 207 HA ALA 29 HA ALA 29 5.663 2.966 11.343 208 HB1 ALA 29 HB1 ALA 29 7.034 3.436 9.390 209 HB2 ALA 29 HB2 ALA 29 7.793 4.168 10.800 210 HB3 ALA 29 HB3 ALA 29 8.443 2.655 10.134 211 H SER 30 H SER 30 5.426 1.883 9.008 212 HA SER 30 HA SER 30 5.794 -1.064 9.189 213 HB2 SER 30 HB2 SER 30 3.519 -1.452 8.404 214 HB3 SER 30 HB3 SER 30 3.530 -0.607 9.959 215 HG SER 30 HG SER 30 3.318 0.737 7.470 216 HA PRO 31 HA PRO 31 7.226 1.119 5.244 217 HB2 PRO 31 HB2 PRO 31 9.668 -0.251 5.069 218 HB3 PRO 31 HB3 PRO 31 9.394 1.335 5.834 219 HG2 PRO 31 HG2 PRO 31 9.456 -1.384 7.151 220 HG3 PRO 31 HG3 PRO 31 10.253 0.133 7.689 221 HD2 PRO 31 HD2 PRO 31 7.953 -0.599 8.830 222 HD3 PRO 31 HD3 PRO 31 8.147 1.084 8.324 223 H GLU 32 H GLU 32 7.049 -2.398 6.008 224 HA GLU 32 HA GLU 32 7.434 -3.301 3.356 225 HB2 GLU 32 HB2 GLU 32 6.295 -5.331 3.942 226 HB3 GLU 32 HB3 GLU 32 7.365 -4.852 5.250 227 HG2 GLU 32 HG2 GLU 32 5.501 -4.169 6.630 228 HG3 GLU 32 HG3 GLU 32 4.371 -4.288 5.295 229 H THR 33 H THR 33 4.503 -1.997 4.821 230 HA THR 33 HA THR 33 2.758 -2.616 2.573 231 HB THR 33 HB THR 33 1.124 -1.163 3.657 232 HG1 THR 33 HG1 THR 33 3.176 -0.601 5.549 233 HG21 THR 33 HG21 THR 33 2.507 -2.844 5.789 234 HG22 THR 33 HG22 THR 33 1.412 -3.481 4.539 235 HG23 THR 33 HG23 THR 33 0.810 -2.330 5.744 236 H LYS 34 H LYS 34 4.520 0.265 3.630 237 HA LYS 34 HA LYS 34 3.747 2.100 1.569 238 HB2 LYS 34 HB2 LYS 34 4.753 3.012 3.474 239 HB3 LYS 34 HB3 LYS 34 6.018 1.791 3.535 240 HG2 LYS 34 HG2 LYS 34 7.143 2.745 1.622 241 HG3 LYS 34 HG3 LYS 34 5.890 3.996 1.462 242 HD2 LYS 34 HD2 LYS 34 6.546 4.882 3.693 243 HD3 LYS 34 HD3 LYS 34 7.734 3.566 3.856 244 HE2 LYS 34 HE2 LYS 34 8.773 4.396 1.667 245 HE3 LYS 34 HE3 LYS 34 7.730 5.819 1.798 246 HZ1 LYS 34 HZ1 LYS 34 9.778 4.937 3.753 247 HZ2 LYS 34 HZ2 LYS 34 8.800 6.228 3.992 248 HZ3 LYS 34 HZ3 LYS 34 9.916 6.225 2.761 249 H LYS 35 H LYS 35 6.634 -0.042 1.740 250 HA LYS 35 HA LYS 35 7.561 0.562 -0.918 251 HB2 LYS 35 HB2 LYS 35 8.191 -1.476 1.202 252 HB3 LYS 35 HB3 LYS 35 8.524 -1.953 -0.450 253 HG2 LYS 35 HG2 LYS 35 10.506 -1.006 0.463 254 HG3 LYS 35 HG3 LYS 35 9.894 0.006 -0.843 255 HD2 LYS 35 HD2 LYS 35 8.906 1.543 0.933 256 HD3 LYS 35 HD3 LYS 35 9.741 0.559 2.143 257 HE2 LYS 35 HE2 LYS 35 11.116 2.464 1.680 258 HE3 LYS 35 HE3 LYS 35 11.916 1.065 0.949 259 HZ1 LYS 35 HZ1 LYS 35 10.158 2.932 -0.556 260 HZ2 LYS 35 HZ2 LYS 35 11.119 1.765 -1.208 261 HZ3 LYS 35 HZ3 LYS 35 11.791 3.090 -0.503 262 H ALA 36 H ALA 36 5.421 -2.093 0.221 263 HA ALA 36 HA ALA 36 5.194 -3.222 -2.412 264 HB1 ALA 36 HB1 ALA 36 4.768 -4.559 -0.467 265 HB2 ALA 36 HB2 ALA 36 3.440 -3.513 0.055 266 HB3 ALA 36 HB3 ALA 36 3.301 -4.485 -1.438 267 H ARG 37 H ARG 37 3.224 -0.689 -0.768 268 HA ARG 37 HA ARG 37 1.255 -0.460 -2.829 269 HB2 ARG 37 HB2 ARG 37 1.120 0.553 -0.505 270 HB3 ARG 37 HB3 ARG 37 2.254 1.792 -1.048 271 HG2 ARG 37 HG2 ARG 37 0.605 2.349 -2.918 272 HG3 ARG 37 HG3 ARG 37 -0.500 1.154 -2.224 273 HD2 ARG 37 HD2 ARG 37 -1.175 3.336 -1.453 274 HD3 ARG 37 HD3 ARG 37 -0.498 2.452 -0.087 275 HE ARG 37 HE ARG 37 1.317 3.909 -0.004 276 HH11 ARG 37 HH11 ARG 37 -0.605 4.643 -2.919 277 HH12 ARG 37 HH12 ARG 37 0.280 6.116 -3.253 278 HH21 ARG 37 HH21 ARG 37 2.450 5.809 -0.496 279 HH22 ARG 37 HH22 ARG 37 2.010 6.765 -1.896 280 H ASP 38 H ASP 38 4.297 1.404 -2.293 281 HA ASP 38 HA ASP 38 4.058 2.992 -4.627 282 HB2 ASP 38 HB2 ASP 38 6.454 2.205 -2.924 283 HB3 ASP 38 HB3 ASP 38 6.593 3.270 -4.324 284 H ALA 39 H ALA 39 5.694 -0.174 -4.159 285 HA ALA 39 HA ALA 39 6.570 -0.445 -6.871 286 HB1 ALA 39 HB1 ALA 39 6.780 -2.832 -6.284 287 HB2 ALA 39 HB2 ALA 39 7.494 -1.782 -5.055 288 HB3 ALA 39 HB3 ALA 39 5.913 -2.542 -4.761 289 H CYS 40 H CYS 40 3.440 -1.463 -5.309 290 HA CYS 40 HA CYS 40 2.502 -2.768 -7.693 291 HB2 CYS 40 HB2 CYS 40 1.668 -3.168 -5.380 292 HB3 CYS 40 HB3 CYS 40 0.860 -1.603 -5.408 293 H ILE 41 H ILE 41 2.053 0.583 -6.468 294 HA ILE 41 HA ILE 41 0.568 1.480 -8.761 295 HB ILE 41 HB ILE 41 2.085 2.867 -6.568 296 HG12 ILE 41 HG12 ILE 41 -0.079 3.927 -6.143 297 HG13 ILE 41 HG13 ILE 41 -0.760 3.250 -7.620 298 HG21 ILE 41 HG21 ILE 41 0.895 4.277 -9.000 299 HG22 ILE 41 HG22 ILE 41 1.458 5.068 -7.510 300 HG23 ILE 41 HG23 ILE 41 2.618 4.254 -8.553 301 HD11 ILE 41 HD11 ILE 41 -1.595 2.153 -5.597 302 HD12 ILE 41 HD12 ILE 41 -0.754 1.010 -6.653 303 HD13 ILE 41 HD13 ILE 41 0.035 1.629 -5.180 304 H ILE 42 H ILE 42 4.136 1.207 -8.258 305 HA ILE 42 HA ILE 42 4.768 2.405 -10.831 306 HB ILE 42 HB ILE 42 6.287 0.629 -8.926 307 HG12 ILE 42 HG12 ILE 42 6.057 3.047 -8.437 308 HG13 ILE 42 HG13 ILE 42 7.714 2.503 -8.589 309 HG21 ILE 42 HG21 ILE 42 7.137 -0.203 -11.007 310 HG22 ILE 42 HG22 ILE 42 7.286 1.436 -11.682 311 HG23 ILE 42 HG23 ILE 42 8.331 0.906 -10.346 312 HD11 ILE 42 HD11 ILE 42 7.369 4.723 -9.585 313 HD12 ILE 42 HD12 ILE 42 7.872 3.564 -10.822 314 HD13 ILE 42 HD13 ILE 42 6.170 4.070 -10.707 315 H GLU 43 H GLU 43 4.335 -1.048 -9.918 316 HA GLU 43 HA GLU 43 4.809 -1.997 -12.600 317 HB2 GLU 43 HB2 GLU 43 3.509 -3.262 -10.152 318 HB3 GLU 43 HB3 GLU 43 3.774 -4.118 -11.683 319 HG2 GLU 43 HG2 GLU 43 6.249 -3.410 -11.440 320 HG3 GLU 43 HG3 GLU 43 5.859 -3.043 -9.761 321 H LYS 44 H LYS 44 1.763 -1.575 -10.778 322 HA LYS 44 HA LYS 44 0.204 -2.293 -13.233 323 HB2 LYS 44 HB2 LYS 44 -0.678 -2.536 -10.337 324 HB3 LYS 44 HB3 LYS 44 -1.403 -3.244 -11.781 325 HG2 LYS 44 HG2 LYS 44 0.690 -4.648 -12.054 326 HG3 LYS 44 HG3 LYS 44 1.202 -4.071 -10.453 327 HD2 LYS 44 HD2 LYS 44 -0.907 -4.996 -9.461 328 HD3 LYS 44 HD3 LYS 44 -1.391 -5.543 -11.071 329 HE2 LYS 44 HE2 LYS 44 -0.514 -7.488 -10.292 330 HE3 LYS 44 HE3 LYS 44 0.914 -6.816 -11.075 331 HZ1 LYS 44 HZ1 LYS 44 1.616 -6.050 -8.778 332 HZ2 LYS 44 HZ2 LYS 44 1.429 -7.672 -8.906 333 HZ3 LYS 44 HZ3 LYS 44 0.266 -6.803 -8.172 334 H GLY 45 H GLY 45 0.261 -0.062 -10.485 335 HA2 GLY 45 HA2 GLY 45 -0.546 2.187 -10.476 336 HA3 GLY 45 HA3 GLY 45 -1.531 1.861 -11.882 337 H GLU 46 H GLU 46 -2.556 3.194 -9.741 338 HA GLU 46 HA GLU 46 -3.364 1.978 -7.451 339 HB2 GLU 46 HB2 GLU 46 -4.966 4.042 -9.009 340 HB3 GLU 46 HB3 GLU 46 -5.194 3.659 -7.302 341 HG2 GLU 46 HG2 GLU 46 -2.943 4.450 -6.772 342 HG3 GLU 46 HG3 GLU 46 -2.622 4.737 -8.493 343 H GLU 47 H GLU 47 -5.319 1.933 -10.441 344 HA GLU 47 HA GLU 47 -7.693 0.804 -9.633 345 HB2 GLU 47 HB2 GLU 47 -7.894 -0.040 -11.920 346 HB3 GLU 47 HB3 GLU 47 -7.252 1.587 -11.904 347 HG2 GLU 47 HG2 GLU 47 -4.927 0.612 -12.198 348 HG3 GLU 47 HG3 GLU 47 -5.671 -0.979 -12.342 349 H HIS 48 H HIS 48 -4.649 -0.968 -9.990 350 HA HIS 48 HA HIS 48 -6.003 -3.595 -9.752 351 HB2 HIS 48 HB2 HIS 48 -3.170 -2.690 -10.322 352 HB3 HIS 48 HB3 HIS 48 -3.582 -4.378 -10.029 353 HD1 HIS 48 HD1 HIS 48 -5.832 -5.167 -11.720 354 HD2 HIS 48 HD2 HIS 48 -3.132 -2.183 -12.919 355 HE1 HIS 48 HE1 HIS 48 -5.983 -5.047 -14.262 356 H CYS 49 H CYS 49 -4.522 -1.320 -7.646 357 HA CYS 49 HA CYS 49 -3.394 -3.387 -5.858 358 HB2 CYS 49 HB2 CYS 49 -2.929 -0.402 -6.064 359 HB3 CYS 49 HB3 CYS 49 -1.997 -1.519 -5.069 360 H GLY 50 H GLY 50 -6.351 -2.529 -5.754 361 HA2 GLY 50 HA2 GLY 50 -6.876 -0.733 -3.696 362 HA3 GLY 50 HA3 GLY 50 -7.964 -2.025 -4.198 363 H HIS 51 H HIS 51 -6.131 -4.236 -3.267 364 HA HIS 51 HA HIS 51 -6.936 -4.199 -0.448 365 HB2 HIS 51 HB2 HIS 51 -5.241 -6.257 -1.907 366 HB3 HIS 51 HB3 HIS 51 -6.007 -6.433 -0.339 367 HD1 HIS 51 HD1 HIS 51 -6.643 -7.383 -3.786 368 HD2 HIS 51 HD2 HIS 51 -8.921 -5.914 -0.559 369 HE1 HIS 51 HE1 HIS 51 -9.084 -7.927 -4.317 370 H LEU 52 H LEU 52 -3.919 -3.759 -2.280 371 HA LEU 52 HA LEU 52 -2.186 -3.645 0.006 372 HB2 LEU 52 HB2 LEU 52 -1.795 -3.753 -2.720 373 HB3 LEU 52 HB3 LEU 52 -1.541 -2.043 -2.466 374 HG LEU 52 HG LEU 52 0.590 -3.015 -2.364 375 HD11 LEU 52 HD11 LEU 52 -0.151 -2.881 0.587 376 HD12 LEU 52 HD12 LEU 52 0.124 -1.457 -0.437 377 HD13 LEU 52 HD13 LEU 52 1.427 -2.612 -0.145 378 HD21 LEU 52 HD21 LEU 52 -0.021 -5.355 -2.190 379 HD22 LEU 52 HD22 LEU 52 -0.554 -5.136 -0.512 380 HD23 LEU 52 HD23 LEU 52 1.155 -4.975 -0.922 381 H ILE 53 H ILE 53 -3.872 -1.121 -1.880 382 HA ILE 53 HA ILE 53 -2.977 1.162 -0.412 383 HB ILE 53 HB ILE 53 -5.489 0.670 -2.021 384 HG12 ILE 53 HG12 ILE 53 -3.024 2.308 -2.781 385 HG13 ILE 53 HG13 ILE 53 -3.094 0.582 -3.103 386 HG21 ILE 53 HG21 ILE 53 -5.914 2.555 -0.496 387 HG22 ILE 53 HG22 ILE 53 -4.363 3.299 -0.937 388 HG23 ILE 53 HG23 ILE 53 -5.678 3.169 -2.122 389 HD11 ILE 53 HD11 ILE 53 -5.183 0.880 -4.391 390 HD12 ILE 53 HD12 ILE 53 -5.033 2.641 -4.188 391 HD13 ILE 53 HD13 ILE 53 -3.796 1.743 -5.083 392 H GLU 54 H GLU 54 -5.882 -0.915 0.006 393 HA GLU 54 HA GLU 54 -6.939 0.426 2.287 394 HB2 GLU 54 HB2 GLU 54 -8.054 -1.273 0.809 395 HB3 GLU 54 HB3 GLU 54 -7.156 -2.533 1.664 396 HG2 GLU 54 HG2 GLU 54 -8.230 -1.716 3.809 397 HG3 GLU 54 HG3 GLU 54 -9.154 -0.552 2.856 398 H ALA 55 H ALA 55 -4.638 -2.315 2.099 399 HA ALA 55 HA ALA 55 -4.382 -2.691 4.930 400 HB1 ALA 55 HB1 ALA 55 -3.829 -4.433 3.300 401 HB2 ALA 55 HB2 ALA 55 -2.522 -3.435 2.627 402 HB3 ALA 55 HB3 ALA 55 -2.409 -4.058 4.289 403 H HIS 56 H HIS 56 -2.608 -0.624 2.624 404 HA HIS 56 HA HIS 56 -0.607 0.332 4.445 405 HB2 HIS 56 HB2 HIS 56 -0.423 0.508 2.008 406 HB3 HIS 56 HB3 HIS 56 -1.820 1.573 1.945 407 HD1 HIS 56 HD1 HIS 56 -1.237 4.134 1.988 408 HD2 HIS 56 HD2 HIS 56 1.810 1.597 3.416 409 HE1 HIS 56 HE1 HIS 56 0.811 5.586 2.317 410 H LYS 57 H LYS 57 -3.813 1.823 3.506 411 HA LYS 57 HA LYS 57 -3.507 3.964 5.406 412 HB2 LYS 57 HB2 LYS 57 -5.772 4.542 5.018 413 HB3 LYS 57 HB3 LYS 57 -5.028 4.064 3.489 414 HG2 LYS 57 HG2 LYS 57 -6.187 1.964 3.478 415 HG3 LYS 57 HG3 LYS 57 -6.810 2.205 5.110 416 HD2 LYS 57 HD2 LYS 57 -8.566 2.598 3.500 417 HD3 LYS 57 HD3 LYS 57 -8.185 4.088 4.377 418 HE2 LYS 57 HE2 LYS 57 -6.846 4.897 2.471 419 HE3 LYS 57 HE3 LYS 57 -7.129 3.384 1.601 420 HZ1 LYS 57 HZ1 LYS 57 -9.219 5.366 2.361 421 HZ2 LYS 57 HZ2 LYS 57 -9.510 3.934 1.573 422 HZ3 LYS 57 HZ3 LYS 57 -8.600 5.110 0.867 423 H GLU 58 H GLU 58 -5.025 0.790 5.791 424 HA GLU 58 HA GLU 58 -5.922 1.210 8.497 425 HB2 GLU 58 HB2 GLU 58 -5.281 -1.269 6.879 426 HB3 GLU 58 HB3 GLU 58 -5.875 -1.341 8.543 427 HG2 GLU 58 HG2 GLU 58 -7.882 -0.067 7.945 428 HG3 GLU 58 HG3 GLU 58 -7.350 0.081 6.277 429 H SER 59 H SER 59 -2.794 -0.063 7.243 430 HA SER 59 HA SER 59 -1.615 -0.485 9.827 431 HB2 SER 59 HB2 SER 59 -0.774 -1.133 7.436 432 HB3 SER 59 HB3 SER 59 -0.032 0.480 7.430 433 HG SER 59 HG SER 59 1.402 -0.261 8.802 434 H MET 60 H MET 60 -1.751 2.428 7.723 435 HA MET 60 HA MET 60 -0.315 4.136 9.501 436 HB2 MET 60 HB2 MET 60 -1.545 4.347 6.958 437 HB3 MET 60 HB3 MET 60 -2.373 5.520 7.936 438 HG2 MET 60 HG2 MET 60 -0.453 6.494 6.799 439 HG3 MET 60 HG3 MET 60 -0.255 6.579 8.542 440 HE1 MET 60 HE1 MET 60 0.571 4.345 5.408 441 HE2 MET 60 HE2 MET 60 2.050 3.492 5.905 442 HE3 MET 60 HE3 MET 60 0.500 3.077 6.651 443 H ARG 61 H ARG 61 -3.804 3.342 9.435 444 HA ARG 61 HA ARG 61 -4.613 4.975 11.650 445 HB2 ARG 61 HB2 ARG 61 -6.326 4.083 10.424 446 HB3 ARG 61 HB3 ARG 61 -5.685 2.464 10.392 447 HG2 ARG 61 HG2 ARG 61 -6.584 3.655 13.031 448 HG3 ARG 61 HG3 ARG 61 -7.774 3.054 11.883 449 HD2 ARG 61 HD2 ARG 61 -5.525 1.301 12.906 450 HD3 ARG 61 HD3 ARG 61 -7.128 1.405 13.634 451 HE ARG 61 HE ARG 61 -7.803 0.896 11.092 452 HH11 ARG 61 HH11 ARG 61 -5.363 -0.724 13.133 453 HH12 ARG 61 HH12 ARG 61 -5.636 -2.285 12.387 454 HH21 ARG 61 HH21 ARG 61 -8.112 -1.141 10.161 455 HH22 ARG 61 HH22 ARG 61 -7.182 -2.518 10.709 456 H ALA 62 H ALA 62 -3.204 1.703 11.582 457 HA ALA 62 HA ALA 62 -3.124 1.368 14.411 458 HB1 ALA 62 HB1 ALA 62 -1.789 -0.581 13.958 459 HB2 ALA 62 HB2 ALA 62 -3.046 -0.459 12.712 460 HB3 ALA 62 HB3 ALA 62 -1.370 -0.002 12.339 461 H LEU 63 H LEU 63 -0.906 3.282 12.434 462 HA LEU 63 HA LEU 63 1.004 3.487 14.703 463 HB2 LEU 63 HB2 LEU 63 0.823 4.900 12.018 464 HB3 LEU 63 HB3 LEU 63 1.877 5.449 13.302 465 HG LEU 63 HG LEU 63 3.223 4.243 11.829 466 HD11 LEU 63 HD11 LEU 63 3.673 3.816 14.245 467 HD12 LEU 63 HD12 LEU 63 4.206 2.509 13.178 468 HD13 LEU 63 HD13 LEU 63 2.732 2.307 14.123 469 HD21 LEU 63 HD21 LEU 63 2.893 1.948 11.130 470 HD22 LEU 63 HD22 LEU 63 1.498 2.946 10.678 471 HD23 LEU 63 HD23 LEU 63 1.390 1.845 12.069 472 H GLY 64 H GLY 64 -1.884 5.129 13.612 473 HA2 GLY 64 HA2 GLY 64 -3.258 6.332 15.095 474 HA3 GLY 64 HA3 GLY 64 -1.906 6.610 16.177 475 H PHE 65 H PHE 65 -1.035 7.442 12.995 476 HA PHE 65 HA PHE 65 -1.753 10.312 13.432 477 HB2 PHE 65 HB2 PHE 65 0.375 10.860 12.253 478 HB3 PHE 65 HB3 PHE 65 0.481 10.162 13.848 479 HD1 PHE 65 HD2 PHE 65 0.168 8.356 10.492 480 HD2 PHE 65 HD1 PHE 65 2.586 9.231 13.973 481 HE1 PHE 65 HE2 PHE 65 1.906 6.797 9.702 482 HE2 PHE 65 HE1 PHE 65 4.317 7.664 13.156 483 HZ PHE 65 HZ PHE 65 3.988 6.447 11.010 484 H LYS 66 H LYS 66 -3.444 8.526 12.131 485 HA LYS 66 HA LYS 66 -3.509 9.562 9.307 486 HB2 LYS 66 HB2 LYS 66 -2.819 7.271 9.340 487 HB3 LYS 66 HB3 LYS 66 -4.060 6.817 10.481 488 HG2 LYS 66 HG2 LYS 66 -4.641 5.935 8.376 489 HG3 LYS 66 HG3 LYS 66 -5.811 7.177 8.737 490 HD2 LYS 66 HD2 LYS 66 -3.394 7.847 7.012 491 HD3 LYS 66 HD3 LYS 66 -4.741 6.908 6.342 492 HE2 LYS 66 HE2 LYS 66 -6.242 8.808 7.382 493 HE3 LYS 66 HE3 LYS 66 -4.761 9.769 7.328 494 HZ1 LYS 66 HZ1 LYS 66 -4.691 9.383 4.923 495 HZ2 LYS 66 HZ2 LYS 66 -6.149 9.967 5.336 496 HZ3 LYS 66 HZ3 LYS 66 -5.967 8.354 5.000 497 H ILE 67 H ILE 67 -5.551 8.281 11.927 498 HA ILE 67 HA ILE 67 -7.656 10.308 11.391 499 HB ILE 67 HB ILE 67 -9.393 8.450 11.701 500 HG12 ILE 67 HG12 ILE 67 -7.102 6.659 10.743 501 HG13 ILE 67 HG13 ILE 67 -7.774 6.644 12.369 502 HG21 ILE 67 HG21 ILE 67 -8.936 9.742 9.609 503 HG22 ILE 67 HG22 ILE 67 -7.829 8.455 9.092 504 HG23 ILE 67 HG23 ILE 67 -9.552 8.119 9.316 505 HD11 ILE 67 HD11 ILE 67 -8.700 4.821 11.091 506 HD12 ILE 67 HD12 ILE 67 -9.996 5.992 11.412 507 HD13 ILE 67 HD13 ILE 67 -9.232 5.898 9.803 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 37.635 -42.473 -16.114 2 H2 GLY 1 H2 GLY 1 36.576 -41.538 -16.968 3 H3 GLY 1 H3 GLY 1 36.018 -42.593 -15.848 4 HA2 GLY 1 HA2 GLY 1 37.576 -40.156 -15.347 5 HA3 GLY 1 HA3 GLY 1 35.879 -40.443 -14.905 6 H SER 2 H SER 2 37.256 -39.649 -12.844 7 HA SER 2 HA SER 2 38.104 -42.087 -11.310 8 HB2 SER 2 HB2 SER 2 39.521 -39.410 -11.443 9 HB3 SER 2 HB3 SER 2 39.971 -40.765 -10.399 10 HG SER 2 HG SER 2 41.240 -40.709 -12.264 11 H PHE 3 H PHE 3 38.224 -41.859 -9.028 12 HA PHE 3 HA PHE 3 36.255 -40.100 -7.732 13 HB2 PHE 3 HB2 PHE 3 38.389 -41.877 -6.539 14 HB3 PHE 3 HB3 PHE 3 36.995 -41.216 -5.697 15 HD1 PHE 3 HD1 PHE 3 34.777 -41.902 -7.672 16 HD2 PHE 3 HD2 PHE 3 38.177 -44.181 -6.291 17 HE1 PHE 3 HE1 PHE 3 33.590 -44.007 -8.201 18 HE2 PHE 3 HE2 PHE 3 36.972 -46.284 -6.811 19 HZ PHE 3 HZ PHE 3 34.680 -46.198 -7.786 20 H THR 4 H THR 4 37.148 -38.763 -5.729 21 HA THR 4 HA THR 4 38.920 -36.792 -6.943 22 HB THR 4 HB THR 4 38.543 -35.488 -4.867 23 HG1 THR 4 HG1 THR 4 38.294 -37.276 -3.480 24 HG21 THR 4 HG21 THR 4 36.937 -35.345 -6.773 25 HG22 THR 4 HG22 THR 4 36.175 -35.069 -5.200 26 HG23 THR 4 HG23 THR 4 35.958 -36.629 -6.022 27 H MET 5 H MET 5 40.981 -36.263 -6.525 28 HA MET 5 HA MET 5 42.739 -37.719 -4.734 29 HB2 MET 5 HB2 MET 5 42.867 -35.123 -6.285 30 HB3 MET 5 HB3 MET 5 44.181 -35.605 -5.223 31 HG2 MET 5 HG2 MET 5 44.631 -37.577 -6.480 32 HG3 MET 5 HG3 MET 5 43.137 -37.427 -7.412 33 HE1 MET 5 HE1 MET 5 44.852 -38.005 -9.382 34 HE2 MET 5 HE2 MET 5 46.072 -36.867 -10.002 35 HE3 MET 5 HE3 MET 5 46.358 -37.725 -8.476 36 HA PRO 6 HA PRO 6 41.866 -35.493 -0.977 37 HB2 PRO 6 HB2 PRO 6 44.113 -35.790 0.487 38 HB3 PRO 6 HB3 PRO 6 43.166 -37.203 -0.065 39 HG2 PRO 6 HG2 PRO 6 45.655 -35.994 -1.330 40 HG3 PRO 6 HG3 PRO 6 45.336 -37.711 -0.949 41 HD2 PRO 6 HD2 PRO 6 44.919 -36.604 -3.430 42 HD3 PRO 6 HD3 PRO 6 43.944 -37.964 -2.813 43 H GLY 7 H GLY 7 42.059 -33.553 0.168 44 HA2 GLY 7 HA2 GLY 7 42.747 -31.455 0.774 45 HA3 GLY 7 HA3 GLY 7 44.351 -31.914 0.204 46 H LEU 8 H LEU 8 41.464 -31.648 -1.755 47 HA LEU 8 HA LEU 8 42.838 -29.923 -3.689 48 HB2 LEU 8 HB2 LEU 8 40.023 -31.063 -3.733 49 HB3 LEU 8 HB3 LEU 8 40.845 -30.246 -5.069 50 HG LEU 8 HG LEU 8 41.678 -32.891 -3.830 51 HD11 LEU 8 HD11 LEU 8 40.517 -32.184 -6.558 52 HD12 LEU 8 HD12 LEU 8 39.644 -32.982 -5.230 53 HD13 LEU 8 HD13 LEU 8 40.996 -33.806 -6.017 54 HD21 LEU 8 HD21 LEU 8 43.282 -32.977 -5.774 55 HD22 LEU 8 HD22 LEU 8 43.692 -31.775 -4.556 56 HD23 LEU 8 HD23 LEU 8 42.920 -31.275 -6.087 57 H VAL 9 H VAL 9 42.977 -28.459 -1.698 58 HA VAL 9 HA VAL 9 40.851 -26.382 -1.733 59 HB VAL 9 HB VAL 9 43.067 -26.431 0.307 60 HG11 VAL 9 HG11 VAL 9 40.185 -25.440 0.364 61 HG12 VAL 9 HG12 VAL 9 41.417 -25.195 1.618 62 HG13 VAL 9 HG13 VAL 9 41.605 -24.434 0.030 63 HG21 VAL 9 HG21 VAL 9 40.471 -28.012 0.497 64 HG22 VAL 9 HG22 VAL 9 42.124 -28.646 0.614 65 HG23 VAL 9 HG23 VAL 9 41.504 -27.594 1.883 66 H ASP 10 H ASP 10 41.416 -25.384 -3.619 67 HA ASP 10 HA ASP 10 44.007 -24.052 -3.936 68 HB2 ASP 10 HB2 ASP 10 42.598 -24.332 -5.879 69 HB3 ASP 10 HB3 ASP 10 41.266 -23.471 -5.091 70 H SER 11 H SER 11 44.736 -22.650 -2.540 71 HA SER 11 HA SER 11 44.967 -20.976 -1.042 72 HB2 SER 11 HB2 SER 11 44.165 -19.733 -3.013 73 HB3 SER 11 HB3 SER 11 42.513 -19.799 -2.390 74 HG SER 11 HG SER 11 43.991 -17.898 -1.970 75 H ASN 12 H ASN 12 42.360 -19.523 -0.093 76 HA ASN 12 HA ASN 12 42.067 -21.289 2.266 77 HB2 ASN 12 HB2 ASN 12 41.773 -19.294 3.556 78 HB3 ASN 12 HB3 ASN 12 43.214 -19.153 2.564 79 HD21 ASN 12 HD21 ASN 12 42.918 -17.828 0.405 80 HD22 ASN 12 HD22 ASN 12 41.808 -16.479 0.541 81 HA PRO 13 HA PRO 13 37.743 -21.732 1.346 82 HB2 PRO 13 HB2 PRO 13 36.782 -22.855 3.609 83 HB3 PRO 13 HB3 PRO 13 37.986 -23.683 2.570 84 HG2 PRO 13 HG2 PRO 13 38.512 -22.057 5.089 85 HG3 PRO 13 HG3 PRO 13 39.113 -23.695 4.696 86 HD2 PRO 13 HD2 PRO 13 40.602 -21.439 4.251 87 HD3 PRO 13 HD3 PRO 13 40.679 -22.859 3.163 88 H ALA 14 H ALA 14 35.684 -20.870 1.686 89 HA ALA 14 HA ALA 14 34.440 -18.986 1.732 90 HB1 ALA 14 HB1 ALA 14 33.553 -18.372 3.888 91 HB2 ALA 14 HB2 ALA 14 33.788 -20.130 3.824 92 HB3 ALA 14 HB3 ALA 14 34.933 -19.102 4.719 93 HA PRO 15 HA PRO 15 38.217 -16.205 2.116 94 HB2 PRO 15 HB2 PRO 15 38.660 -15.588 -0.511 95 HB3 PRO 15 HB3 PRO 15 39.242 -17.107 0.233 96 HG2 PRO 15 HG2 PRO 15 36.690 -16.675 -1.356 97 HG3 PRO 15 HG3 PRO 15 37.951 -17.927 -1.615 98 HD2 PRO 15 HD2 PRO 15 35.716 -18.469 -0.182 99 HD3 PRO 15 HD3 PRO 15 37.303 -19.110 0.318 100 HA PRO 16 HA PRO 16 36.024 -12.290 1.855 101 HB2 PRO 16 HB2 PRO 16 38.455 -11.279 0.362 102 HB3 PRO 16 HB3 PRO 16 37.533 -10.493 1.685 103 HG2 PRO 16 HG2 PRO 16 39.845 -11.759 2.260 104 HG3 PRO 16 HG3 PRO 16 38.416 -12.020 3.309 105 HD2 PRO 16 HD2 PRO 16 39.475 -13.801 1.097 106 HD3 PRO 16 HD3 PRO 16 38.917 -14.242 2.739 107 H GLU 17 H GLU 17 34.492 -11.597 0.538 108 HA GLU 17 HA GLU 17 34.610 -11.978 -2.404 109 HB2 GLU 17 HB2 GLU 17 33.776 -14.061 -1.684 110 HB3 GLU 17 HB3 GLU 17 32.803 -13.353 -0.396 111 HG2 GLU 17 HG2 GLU 17 31.191 -12.482 -1.980 112 HG3 GLU 17 HG3 GLU 17 32.185 -12.992 -3.350 113 H SER 18 H SER 18 33.176 -10.803 -3.597 114 HA SER 18 HA SER 18 32.126 -8.296 -2.652 115 HB2 SER 18 HB2 SER 18 31.692 -9.956 -5.152 116 HB3 SER 18 HB3 SER 18 30.763 -8.483 -4.835 117 HG SER 18 HG SER 18 33.506 -8.782 -5.324 118 H GLN 19 H GLN 19 30.729 -8.255 -1.073 119 HA GLN 19 HA GLN 19 28.169 -9.776 -1.206 120 HB2 GLN 19 HB2 GLN 19 29.840 -10.800 0.350 121 HB3 GLN 19 HB3 GLN 19 29.926 -9.280 1.242 122 HG2 GLN 19 HG2 GLN 19 27.528 -9.505 1.854 123 HG3 GLN 19 HG3 GLN 19 27.425 -11.001 0.915 124 HE21 GLN 19 HE21 GLN 19 28.999 -12.819 1.641 125 HE22 GLN 19 HE22 GLN 19 29.311 -12.915 3.385 126 H GLU 20 H GLU 20 26.460 -8.400 -1.219 127 HA GLU 20 HA GLU 20 26.691 -5.782 0.177 128 HB2 GLU 20 HB2 GLU 20 25.693 -4.651 -1.777 129 HB3 GLU 20 HB3 GLU 20 27.325 -5.253 -2.037 130 HG2 GLU 20 HG2 GLU 20 26.435 -7.131 -3.350 131 HG3 GLU 20 HG3 GLU 20 24.775 -6.598 -3.035 132 H LYS 21 H LYS 21 24.831 -4.629 0.595 133 HA LYS 21 HA LYS 21 22.227 -6.037 0.621 134 HB2 LYS 21 HB2 LYS 21 24.016 -6.189 2.844 135 HB3 LYS 21 HB3 LYS 21 22.899 -4.922 3.281 136 HG2 LYS 21 HG2 LYS 21 22.069 -6.949 4.179 137 HG3 LYS 21 HG3 LYS 21 20.980 -6.507 2.851 138 HD2 LYS 21 HD2 LYS 21 22.014 -8.142 1.386 139 HD3 LYS 21 HD3 LYS 21 23.330 -8.426 2.540 140 HE2 LYS 21 HE2 LYS 21 21.804 -9.456 4.121 141 HE3 LYS 21 HE3 LYS 21 20.409 -9.081 3.085 142 HZ1 LYS 21 HZ1 LYS 21 21.274 -11.405 2.754 143 HZ2 LYS 21 HZ2 LYS 21 22.690 -10.774 2.201 144 HZ3 LYS 21 HZ3 LYS 21 21.306 -10.507 1.390 145 H LYS 22 H LYS 22 20.482 -4.671 0.721 146 HA LYS 22 HA LYS 22 20.655 -1.760 1.007 147 HB2 LYS 22 HB2 LYS 22 18.732 -2.649 -0.036 148 HB3 LYS 22 HB3 LYS 22 18.383 -3.736 1.311 149 HG2 LYS 22 HG2 LYS 22 17.502 -2.095 2.649 150 HG3 LYS 22 HG3 LYS 22 18.538 -0.822 2.015 151 HD2 LYS 22 HD2 LYS 22 16.229 -1.975 0.410 152 HD3 LYS 22 HD3 LYS 22 16.094 -0.579 1.498 153 HE2 LYS 22 HE2 LYS 22 18.021 0.496 0.252 154 HE3 LYS 22 HE3 LYS 22 17.933 -0.811 -0.929 155 HZ1 LYS 22 HZ1 LYS 22 15.708 1.064 -0.278 156 HZ2 LYS 22 HZ2 LYS 22 15.653 -0.104 -1.444 157 HZ3 LYS 22 HZ3 LYS 22 16.675 1.160 -1.609 158 HA PRO 23 HA PRO 23 21.956 -2.010 5.269 159 HB2 PRO 23 HB2 PRO 23 20.597 0.696 5.421 160 HB3 PRO 23 HB3 PRO 23 22.166 0.198 6.135 161 HG2 PRO 23 HG2 PRO 23 22.170 1.531 3.808 162 HG3 PRO 23 HG3 PRO 23 23.182 0.061 3.961 163 HD2 PRO 23 HD2 PRO 23 20.455 0.351 2.666 164 HD3 PRO 23 HD3 PRO 23 21.918 -0.492 2.066 165 H LEU 24 H LEU 24 21.266 -2.102 7.455 166 HA LEU 24 HA LEU 24 18.341 -2.579 7.868 167 HB2 LEU 24 HB2 LEU 24 20.779 -3.775 9.243 168 HB3 LEU 24 HB3 LEU 24 19.159 -3.819 9.922 169 HG LEU 24 HG LEU 24 18.368 -4.988 7.806 170 HD11 LEU 24 HD11 LEU 24 20.245 -4.598 6.270 171 HD12 LEU 24 HD12 LEU 24 20.101 -6.320 6.597 172 HD13 LEU 24 HD13 LEU 24 21.370 -5.375 7.406 173 HD21 LEU 24 HD21 LEU 24 18.731 -6.129 9.959 174 HD22 LEU 24 HD22 LEU 24 20.437 -6.381 9.549 175 HD23 LEU 24 HD23 LEU 24 19.159 -7.178 8.602 176 H LYS 25 H LYS 25 17.259 -1.370 9.316 177 HA LYS 25 HA LYS 25 18.701 0.518 11.097 178 HB2 LYS 25 HB2 LYS 25 16.718 1.405 8.953 179 HB3 LYS 25 HB3 LYS 25 17.371 2.438 10.227 180 HG2 LYS 25 HG2 LYS 25 19.684 2.038 9.335 181 HG3 LYS 25 HG3 LYS 25 18.973 1.105 8.003 182 HD2 LYS 25 HD2 LYS 25 17.670 3.120 7.314 183 HD3 LYS 25 HD3 LYS 25 18.512 4.058 8.572 184 HE2 LYS 25 HE2 LYS 25 20.697 3.502 7.525 185 HE3 LYS 25 HE3 LYS 25 19.864 2.503 6.317 186 HZ1 LYS 25 HZ1 LYS 25 20.331 4.621 5.372 187 HZ2 LYS 25 HZ2 LYS 25 19.554 5.428 6.612 188 HZ3 LYS 25 HZ3 LYS 25 18.699 4.511 5.582 189 HA PRO 26 HA PRO 26 15.099 -0.291 13.675 190 HB2 PRO 26 HB2 PRO 26 15.196 1.782 15.431 191 HB3 PRO 26 HB3 PRO 26 16.412 0.463 15.450 192 HG2 PRO 26 HG2 PRO 26 16.636 3.202 14.152 193 HG3 PRO 26 HG3 PRO 26 17.817 2.383 15.221 194 HD2 PRO 26 HD2 PRO 26 18.012 2.330 12.493 195 HD3 PRO 26 HD3 PRO 26 18.509 0.939 13.497 196 H CYS 27 H CYS 27 12.916 0.502 13.973 197 HA CYS 27 HA CYS 27 12.073 2.991 12.639 198 HB2 CYS 27 HB2 CYS 27 12.503 1.238 10.845 199 HB3 CYS 27 HB3 CYS 27 11.201 0.269 11.559 200 HG CYS 27 HG CYS 27 10.534 1.607 9.310 201 H CYS 28 H CYS 28 9.837 3.494 12.963 202 HA CYS 28 HA CYS 28 8.307 1.801 14.911 203 HB2 CYS 28 HB2 CYS 28 8.540 4.833 14.681 204 HB3 CYS 28 HB3 CYS 28 7.245 4.027 15.581 205 HG CYS 28 HG CYS 28 8.859 4.719 17.384 206 H ALA 29 H ALA 29 8.405 2.485 11.737 207 HA ALA 29 HA ALA 29 5.469 2.775 11.305 208 HB1 ALA 29 HB1 ALA 29 7.011 4.561 10.418 209 HB2 ALA 29 HB2 ALA 29 7.815 3.334 9.428 210 HB3 ALA 29 HB3 ALA 29 6.109 3.722 9.149 211 H SER 30 H SER 30 5.081 1.753 8.894 212 HA SER 30 HA SER 30 6.222 -1.012 8.836 213 HB2 SER 30 HB2 SER 30 3.454 -0.106 8.013 214 HB3 SER 30 HB3 SER 30 4.133 -1.730 7.773 215 HG SER 30 HG SER 30 4.510 -1.781 10.076 216 HA PRO 31 HA PRO 31 7.537 1.550 5.153 217 HB2 PRO 31 HB2 PRO 31 10.126 0.636 4.985 218 HB3 PRO 31 HB3 PRO 31 9.602 1.972 6.053 219 HG2 PRO 31 HG2 PRO 31 9.913 -0.957 6.806 220 HG3 PRO 31 HG3 PRO 31 10.612 0.480 7.630 221 HD2 PRO 31 HD2 PRO 31 8.327 -0.551 8.554 222 HD3 PRO 31 HD3 PRO 31 8.456 1.216 8.352 223 H GLU 32 H GLU 32 7.604 -1.954 5.780 224 HA GLU 32 HA GLU 32 8.196 -2.640 3.000 225 HB2 GLU 32 HB2 GLU 32 7.050 -4.445 5.164 226 HB3 GLU 32 HB3 GLU 32 7.767 -4.924 3.630 227 HG2 GLU 32 HG2 GLU 32 9.927 -3.898 4.336 228 HG3 GLU 32 HG3 GLU 32 9.217 -3.511 5.904 229 H THR 33 H THR 33 5.247 -1.827 4.791 230 HA THR 33 HA THR 33 3.557 -2.898 2.638 231 HB THR 33 HB THR 33 1.649 -1.919 3.693 232 HG1 THR 33 HG1 THR 33 1.914 -0.858 5.718 233 HG21 THR 33 HG21 THR 33 3.418 -3.143 5.847 234 HG22 THR 33 HG22 THR 33 2.497 -4.060 4.632 235 HG23 THR 33 HG23 THR 33 1.643 -3.074 5.833 236 H LYS 34 H LYS 34 4.890 0.252 3.606 237 HA LYS 34 HA LYS 34 3.862 1.824 1.440 238 HB2 LYS 34 HB2 LYS 34 4.864 3.027 3.197 239 HB3 LYS 34 HB3 LYS 34 6.270 1.987 3.251 240 HG2 LYS 34 HG2 LYS 34 6.896 4.135 2.413 241 HG3 LYS 34 HG3 LYS 34 7.129 2.903 1.181 242 HD2 LYS 34 HD2 LYS 34 4.826 3.704 0.223 243 HD3 LYS 34 HD3 LYS 34 5.031 5.106 1.284 244 HE2 LYS 34 HE2 LYS 34 7.201 5.624 0.220 245 HE3 LYS 34 HE3 LYS 34 7.120 4.144 -0.732 246 HZ1 LYS 34 HZ1 LYS 34 5.312 6.492 -1.026 247 HZ2 LYS 34 HZ2 LYS 34 5.085 5.089 -1.815 248 HZ3 LYS 34 HZ3 LYS 34 6.415 5.985 -2.102 249 H LYS 35 H LYS 35 7.016 0.056 1.602 250 HA LYS 35 HA LYS 35 7.715 0.599 -1.132 251 HB2 LYS 35 HB2 LYS 35 8.679 -1.252 1.019 252 HB3 LYS 35 HB3 LYS 35 9.047 -1.724 -0.631 253 HG2 LYS 35 HG2 LYS 35 10.864 -0.429 0.385 254 HG3 LYS 35 HG3 LYS 35 10.236 0.291 -1.093 255 HD2 LYS 35 HD2 LYS 35 9.046 2.010 0.173 256 HD3 LYS 35 HD3 LYS 35 9.529 1.258 1.714 257 HE2 LYS 35 HE2 LYS 35 11.876 1.695 1.255 258 HE3 LYS 35 HE3 LYS 35 11.506 2.229 -0.390 259 HZ1 LYS 35 HZ1 LYS 35 10.310 4.122 0.527 260 HZ2 LYS 35 HZ2 LYS 35 11.847 4.103 1.109 261 HZ3 LYS 35 HZ3 LYS 35 10.604 3.631 2.066 262 H ALA 36 H ALA 36 5.889 -2.150 0.248 263 HA ALA 36 HA ALA 36 5.540 -3.492 -2.263 264 HB1 ALA 36 HB1 ALA 36 3.724 -4.688 -1.098 265 HB2 ALA 36 HB2 ALA 36 5.170 -4.570 -0.095 266 HB3 ALA 36 HB3 ALA 36 3.779 -3.508 0.226 267 H ARG 37 H ARG 37 3.615 -0.856 -0.768 268 HA ARG 37 HA ARG 37 1.547 -0.846 -2.768 269 HB2 ARG 37 HB2 ARG 37 1.240 0.083 -0.546 270 HB3 ARG 37 HB3 ARG 37 2.461 1.326 -0.854 271 HG2 ARG 37 HG2 ARG 37 1.064 2.370 -2.553 272 HG3 ARG 37 HG3 ARG 37 -0.075 1.016 -2.523 273 HD2 ARG 37 HD2 ARG 37 -1.002 2.907 -1.292 274 HD3 ARG 37 HD3 ARG 37 -0.699 1.551 -0.207 275 HE ARG 37 HE ARG 37 1.090 2.688 0.802 276 HH11 ARG 37 HH11 ARG 37 -0.387 4.735 -1.721 277 HH12 ARG 37 HH12 ARG 37 0.386 6.189 -1.128 278 HH21 ARG 37 HH21 ARG 37 2.066 4.586 1.522 279 HH22 ARG 37 HH22 ARG 37 1.764 6.105 0.708 280 H ASP 38 H ASP 38 4.498 1.167 -2.408 281 HA ASP 38 HA ASP 38 4.283 2.690 -4.779 282 HB2 ASP 38 HB2 ASP 38 5.917 3.248 -3.101 283 HB3 ASP 38 HB3 ASP 38 6.667 1.657 -3.199 284 H ALA 39 H ALA 39 5.831 -0.527 -4.272 285 HA ALA 39 HA ALA 39 6.581 -0.966 -6.980 286 HB1 ALA 39 HB1 ALA 39 5.924 -2.915 -4.730 287 HB2 ALA 39 HB2 ALA 39 6.790 -3.322 -6.224 288 HB3 ALA 39 HB3 ALA 39 7.508 -2.185 -5.067 289 H CYS 40 H CYS 40 3.537 -1.829 -5.230 290 HA CYS 40 HA CYS 40 2.347 -3.185 -7.425 291 HB2 CYS 40 HB2 CYS 40 1.575 -3.233 -5.045 292 HB3 CYS 40 HB3 CYS 40 0.913 -1.610 -5.250 293 H ILE 41 H ILE 41 2.152 0.309 -6.524 294 HA ILE 41 HA ILE 41 0.586 1.029 -8.835 295 HB ILE 41 HB ILE 41 2.220 2.553 -6.805 296 HG12 ILE 41 HG12 ILE 41 0.022 3.801 -6.616 297 HG13 ILE 41 HG13 ILE 41 -0.666 2.700 -7.802 298 HG21 ILE 41 HG21 ILE 41 1.083 3.793 -9.354 299 HG22 ILE 41 HG22 ILE 41 1.651 4.696 -7.939 300 HG23 ILE 41 HG23 ILE 41 2.796 3.752 -8.875 301 HD11 ILE 41 HD11 ILE 41 -0.335 0.815 -6.188 302 HD12 ILE 41 HD12 ILE 41 0.343 1.985 -5.024 303 HD13 ILE 41 HD13 ILE 41 -1.345 2.114 -5.535 304 H ILE 42 H ILE 42 4.133 0.803 -8.342 305 HA ILE 42 HA ILE 42 4.787 1.842 -10.963 306 HB ILE 42 HB ILE 42 6.290 0.295 -8.860 307 HG12 ILE 42 HG12 ILE 42 5.771 2.732 -8.529 308 HG13 ILE 42 HG13 ILE 42 7.473 2.320 -8.466 309 HG21 ILE 42 HG21 ILE 42 7.356 -0.531 -10.834 310 HG22 ILE 42 HG22 ILE 42 7.458 1.096 -11.544 311 HG23 ILE 42 HG23 ILE 42 8.411 0.670 -10.101 312 HD11 ILE 42 HD11 ILE 42 7.064 4.444 -9.636 313 HD12 ILE 42 HD12 ILE 42 7.791 3.272 -10.742 314 HD13 ILE 42 HD13 ILE 42 6.050 3.628 -10.832 315 H GLU 43 H GLU 43 3.839 -1.404 -9.968 316 HA GLU 43 HA GLU 43 4.281 -2.478 -12.695 317 HB2 GLU 43 HB2 GLU 43 2.932 -3.563 -10.200 318 HB3 GLU 43 HB3 GLU 43 2.894 -4.388 -11.765 319 HG2 GLU 43 HG2 GLU 43 5.468 -4.291 -11.708 320 HG3 GLU 43 HG3 GLU 43 5.289 -3.865 -9.994 321 H LYS 44 H LYS 44 1.313 -1.978 -10.718 322 HA LYS 44 HA LYS 44 -0.289 -2.505 -13.172 323 HB2 LYS 44 HB2 LYS 44 -1.235 -2.623 -10.304 324 HB3 LYS 44 HB3 LYS 44 -1.944 -3.376 -11.729 325 HG2 LYS 44 HG2 LYS 44 -0.018 -4.978 -11.824 326 HG3 LYS 44 HG3 LYS 44 0.603 -4.261 -10.317 327 HD2 LYS 44 HD2 LYS 44 -1.638 -4.738 -9.252 328 HD3 LYS 44 HD3 LYS 44 -2.100 -5.631 -10.695 329 HE2 LYS 44 HE2 LYS 44 0.263 -6.319 -8.875 330 HE3 LYS 44 HE3 LYS 44 -1.351 -7.009 -8.751 331 HZ1 LYS 44 HZ1 LYS 44 0.544 -7.397 -10.981 332 HZ2 LYS 44 HZ2 LYS 44 -1.041 -7.813 -11.091 333 HZ3 LYS 44 HZ3 LYS 44 -0.081 -8.527 -9.962 334 H GLY 45 H GLY 45 0.307 0.159 -11.086 335 HA2 GLY 45 HA2 GLY 45 -0.694 2.273 -11.032 336 HA3 GLY 45 HA3 GLY 45 -1.944 1.716 -12.138 337 H GLU 46 H GLU 46 -2.686 3.347 -10.137 338 HA GLU 46 HA GLU 46 -3.226 2.215 -7.557 339 HB2 GLU 46 HB2 GLU 46 -4.492 4.558 -9.042 340 HB3 GLU 46 HB3 GLU 46 -4.749 4.205 -7.328 341 HG2 GLU 46 HG2 GLU 46 -2.384 4.533 -6.837 342 HG3 GLU 46 HG3 GLU 46 -2.011 4.759 -8.549 343 H GLU 47 H GLU 47 -5.023 2.081 -10.525 344 HA GLU 47 HA GLU 47 -7.578 1.322 -9.399 345 HB2 GLU 47 HB2 GLU 47 -8.260 1.144 -11.746 346 HB3 GLU 47 HB3 GLU 47 -7.427 2.656 -11.391 347 HG2 GLU 47 HG2 GLU 47 -5.319 1.712 -12.378 348 HG3 GLU 47 HG3 GLU 47 -6.212 0.244 -12.802 349 H HIS 48 H HIS 48 -4.842 -0.573 -9.650 350 HA HIS 48 HA HIS 48 -6.526 -3.053 -9.468 351 HB2 HIS 48 HB2 HIS 48 -3.979 -2.587 -11.010 352 HB3 HIS 48 HB3 HIS 48 -4.322 -4.180 -10.350 353 HD1 HIS 48 HD1 HIS 48 -7.071 -2.018 -11.985 354 HD2 HIS 48 HD2 HIS 48 -4.803 -5.507 -12.517 355 HE1 HIS 48 HE1 HIS 48 -7.964 -3.120 -14.103 356 H CYS 49 H CYS 49 -4.853 -0.973 -7.660 357 HA CYS 49 HA CYS 49 -3.541 -3.020 -5.933 358 HB2 CYS 49 HB2 CYS 49 -2.855 -0.130 -6.489 359 HB3 CYS 49 HB3 CYS 49 -2.097 -1.079 -5.208 360 H GLY 50 H GLY 50 -6.449 -2.096 -5.834 361 HA2 GLY 50 HA2 GLY 50 -7.017 -0.441 -3.666 362 HA3 GLY 50 HA3 GLY 50 -7.993 -1.826 -4.162 363 H HIS 51 H HIS 51 -6.098 -3.878 -3.520 364 HA HIS 51 HA HIS 51 -6.510 -4.274 -0.739 365 HB2 HIS 51 HB2 HIS 51 -4.464 -5.671 -2.498 366 HB3 HIS 51 HB3 HIS 51 -5.300 -6.324 -1.091 367 HD1 HIS 51 HD1 HIS 51 -8.284 -5.963 -1.711 368 HD2 HIS 51 HD2 HIS 51 -5.401 -6.689 -4.691 369 HE1 HIS 51 HE1 HIS 51 -9.556 -6.824 -3.749 370 H LEU 52 H LEU 52 -3.781 -2.803 -2.448 371 HA LEU 52 HA LEU 52 -2.032 -2.772 -0.072 372 HB2 LEU 52 HB2 LEU 52 -1.815 -1.853 -2.945 373 HB3 LEU 52 HB3 LEU 52 -0.781 -1.130 -1.739 374 HG LEU 52 HG LEU 52 0.359 -2.896 -2.924 375 HD11 LEU 52 HD11 LEU 52 0.926 -2.381 -0.541 376 HD12 LEU 52 HD12 LEU 52 1.336 -4.031 -1.052 377 HD13 LEU 52 HD13 LEU 52 -0.087 -3.751 -0.040 378 HD21 LEU 52 HD21 LEU 52 -0.174 -5.244 -2.683 379 HD22 LEU 52 HD22 LEU 52 -1.557 -4.396 -3.392 380 HD23 LEU 52 HD23 LEU 52 -1.584 -4.875 -1.676 381 H ILE 53 H ILE 53 -4.182 -0.538 -1.818 382 HA ILE 53 HA ILE 53 -3.702 1.795 -0.197 383 HB ILE 53 HB ILE 53 -6.082 0.816 -1.783 384 HG12 ILE 53 HG12 ILE 53 -4.334 3.228 -2.338 385 HG13 ILE 53 HG13 ILE 53 -3.780 1.627 -2.815 386 HG21 ILE 53 HG21 ILE 53 -7.003 3.145 -1.554 387 HG22 ILE 53 HG22 ILE 53 -7.023 2.251 -0.040 388 HG23 ILE 53 HG23 ILE 53 -5.769 3.472 -0.322 389 HD11 ILE 53 HD11 ILE 53 -6.381 2.893 -3.724 390 HD12 ILE 53 HD12 ILE 53 -4.883 2.749 -4.667 391 HD13 ILE 53 HD13 ILE 53 -5.763 1.288 -4.178 392 H GLU 54 H GLU 54 -5.960 -0.956 0.146 393 HA GLU 54 HA GLU 54 -7.098 -0.224 2.649 394 HB2 GLU 54 HB2 GLU 54 -7.976 -2.000 1.200 395 HB3 GLU 54 HB3 GLU 54 -6.586 -3.018 1.595 396 HG2 GLU 54 HG2 GLU 54 -7.244 -2.917 4.022 397 HG3 GLU 54 HG3 GLU 54 -8.667 -1.968 3.566 398 H ALA 55 H ALA 55 -4.257 -2.270 1.971 399 HA ALA 55 HA ALA 55 -3.545 -2.792 4.676 400 HB1 ALA 55 HB1 ALA 55 -1.771 -2.711 2.198 401 HB2 ALA 55 HB2 ALA 55 -1.390 -3.516 3.734 402 HB3 ALA 55 HB3 ALA 55 -2.739 -4.104 2.745 403 H HIS 56 H HIS 56 -2.605 -0.047 2.555 404 HA HIS 56 HA HIS 56 -0.785 1.167 4.438 405 HB2 HIS 56 HB2 HIS 56 -0.595 1.815 2.197 406 HB3 HIS 56 HB3 HIS 56 -2.322 2.130 2.028 407 HD1 HIS 56 HD1 HIS 56 -2.279 4.595 1.371 408 HD2 HIS 56 HD2 HIS 56 -0.075 3.714 4.840 409 HE1 HIS 56 HE1 HIS 56 -1.672 6.842 2.426 410 H LYS 57 H LYS 57 -4.346 1.778 3.826 411 HA LYS 57 HA LYS 57 -4.453 3.659 5.985 412 HB2 LYS 57 HB2 LYS 57 -6.759 3.690 5.822 413 HB3 LYS 57 HB3 LYS 57 -6.118 3.538 4.190 414 HG2 LYS 57 HG2 LYS 57 -6.902 1.351 3.913 415 HG3 LYS 57 HG3 LYS 57 -7.157 1.081 5.647 416 HD2 LYS 57 HD2 LYS 57 -8.899 2.794 5.720 417 HD3 LYS 57 HD3 LYS 57 -8.688 3.130 3.995 418 HE2 LYS 57 HE2 LYS 57 -9.498 0.858 3.454 419 HE3 LYS 57 HE3 LYS 57 -9.629 0.483 5.188 420 HZ1 LYS 57 HZ1 LYS 57 -11.794 1.175 4.382 421 HZ2 LYS 57 HZ2 LYS 57 -11.193 2.549 3.727 422 HZ3 LYS 57 HZ3 LYS 57 -11.218 2.389 5.338 423 H GLU 58 H GLU 58 -4.919 0.157 6.043 424 HA GLU 58 HA GLU 58 -5.488 -0.075 8.875 425 HB2 GLU 58 HB2 GLU 58 -4.129 -1.942 6.894 426 HB3 GLU 58 HB3 GLU 58 -4.463 -2.392 8.570 427 HG2 GLU 58 HG2 GLU 58 -6.845 -2.061 8.264 428 HG3 GLU 58 HG3 GLU 58 -6.628 -1.488 6.623 429 H SER 59 H SER 59 -2.371 0.129 7.124 430 HA SER 59 HA SER 59 -0.640 -0.223 9.395 431 HB2 SER 59 HB2 SER 59 -0.097 1.390 6.886 432 HB3 SER 59 HB3 SER 59 1.101 0.776 8.034 433 HG SER 59 HG SER 59 -0.603 -0.718 6.310 434 H MET 60 H MET 60 -2.077 2.770 7.992 435 HA MET 60 HA MET 60 -0.927 4.350 10.205 436 HB2 MET 60 HB2 MET 60 -2.886 5.218 8.060 437 HB3 MET 60 HB3 MET 60 -2.051 6.253 9.221 438 HG2 MET 60 HG2 MET 60 -0.978 4.887 6.796 439 HG3 MET 60 HG3 MET 60 -0.766 6.545 7.385 440 HE1 MET 60 HE1 MET 60 1.598 5.038 6.022 441 HE2 MET 60 HE2 MET 60 1.787 6.643 6.771 442 HE3 MET 60 HE3 MET 60 2.941 5.349 7.145 443 H ARG 61 H ARG 61 -4.108 2.866 9.640 444 HA ARG 61 HA ARG 61 -5.509 4.145 11.772 445 HB2 ARG 61 HB2 ARG 61 -6.652 2.821 10.158 446 HB3 ARG 61 HB3 ARG 61 -5.728 1.376 10.554 447 HG2 ARG 61 HG2 ARG 61 -7.457 2.707 12.664 448 HG3 ARG 61 HG3 ARG 61 -8.201 1.708 11.422 449 HD2 ARG 61 HD2 ARG 61 -6.085 0.714 13.358 450 HD3 ARG 61 HD3 ARG 61 -7.819 0.447 13.478 451 HE ARG 61 HE ARG 61 -7.657 -0.679 11.222 452 HH11 ARG 61 HH11 ARG 61 -4.859 -0.725 13.443 453 HH12 ARG 61 HH12 ARG 61 -4.231 -2.215 12.768 454 HH21 ARG 61 HH21 ARG 61 -6.791 -2.577 10.378 455 HH22 ARG 61 HH22 ARG 61 -5.317 -3.253 11.038 456 H ALA 62 H ALA 62 -3.359 1.302 11.763 457 HA ALA 62 HA ALA 62 -3.356 0.635 14.484 458 HB1 ALA 62 HB1 ALA 62 -1.054 -0.175 14.055 459 HB2 ALA 62 HB2 ALA 62 -2.182 -0.619 12.757 460 HB3 ALA 62 HB3 ALA 62 -1.022 0.714 12.528 461 H LEU 63 H LEU 63 -1.841 3.573 13.090 462 HA LEU 63 HA LEU 63 -0.331 4.072 15.587 463 HB2 LEU 63 HB2 LEU 63 -0.426 5.281 12.820 464 HB3 LEU 63 HB3 LEU 63 0.203 6.231 14.144 465 HG LEU 63 HG LEU 63 1.916 5.047 12.783 466 HD11 LEU 63 HD11 LEU 63 3.318 4.420 14.672 467 HD12 LEU 63 HD12 LEU 63 1.910 4.323 15.739 468 HD13 LEU 63 HD13 LEU 63 2.408 5.888 15.051 469 HD21 LEU 63 HD21 LEU 63 0.687 2.877 12.565 470 HD22 LEU 63 HD22 LEU 63 1.048 2.539 14.268 471 HD23 LEU 63 HD23 LEU 63 2.373 2.715 13.103 472 H GLY 64 H GLY 64 -3.493 4.742 14.591 473 HA2 GLY 64 HA2 GLY 64 -5.122 6.046 15.630 474 HA3 GLY 64 HA3 GLY 64 -3.919 6.662 16.751 475 H PHE 65 H PHE 65 -2.955 7.100 13.446 476 HA PHE 65 HA PHE 65 -3.922 9.921 13.558 477 HB2 PHE 65 HB2 PHE 65 -1.975 10.674 12.441 478 HB3 PHE 65 HB3 PHE 65 -1.652 9.910 13.968 479 HD1 PHE 65 HD1 PHE 65 -1.739 8.703 10.304 480 HD2 PHE 65 HD2 PHE 65 0.434 8.988 14.044 481 HE1 PHE 65 HE1 PHE 65 0.215 7.659 9.269 482 HE2 PHE 65 HE2 PHE 65 2.377 7.891 12.979 483 HZ PHE 65 HZ PHE 65 2.270 7.212 10.585 484 H LYS 66 H LYS 66 -5.181 7.520 12.233 485 HA LYS 66 HA LYS 66 -5.597 8.812 9.543 486 HB2 LYS 66 HB2 LYS 66 -4.383 6.734 9.380 487 HB3 LYS 66 HB3 LYS 66 -5.558 5.879 10.349 488 HG2 LYS 66 HG2 LYS 66 -5.803 5.288 8.030 489 HG3 LYS 66 HG3 LYS 66 -7.244 6.161 8.510 490 HD2 LYS 66 HD2 LYS 66 -5.127 7.899 7.342 491 HD3 LYS 66 HD3 LYS 66 -5.686 6.625 6.256 492 HE2 LYS 66 HE2 LYS 66 -7.985 7.345 6.413 493 HE3 LYS 66 HE3 LYS 66 -7.586 8.530 7.665 494 HZ1 LYS 66 HZ1 LYS 66 -6.265 9.744 6.064 495 HZ2 LYS 66 HZ2 LYS 66 -7.768 9.531 5.445 496 HZ3 LYS 66 HZ3 LYS 66 -6.516 8.632 4.890 497 H ILE 67 H ILE 67 -7.289 6.787 11.931 498 HA ILE 67 HA ILE 67 -9.866 8.197 11.569 499 HB ILE 67 HB ILE 67 -11.000 5.925 11.269 500 HG12 ILE 67 HG12 ILE 67 -8.210 5.099 10.321 501 HG13 ILE 67 HG13 ILE 67 -9.074 4.464 11.717 502 HG21 ILE 67 HG21 ILE 67 -10.831 7.767 9.581 503 HG22 ILE 67 HG22 ILE 67 -9.412 6.957 8.889 504 HG23 ILE 67 HG23 ILE 67 -10.996 6.166 8.883 505 HD11 ILE 67 HD11 ILE 67 -10.775 3.487 10.234 506 HD12 ILE 67 HD12 ILE 67 -9.937 4.162 8.810 507 HD13 ILE 67 HD13 ILE 67 -9.145 2.938 9.783 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 11.860 -25.572 24.731 2 H2 GLY 1 H2 GLY 1 11.786 -26.623 26.007 3 H3 GLY 1 H3 GLY 1 13.247 -26.073 25.471 4 HA2 GLY 1 HA2 GLY 1 12.677 -24.968 27.489 5 HA3 GLY 1 HA3 GLY 1 12.717 -23.830 26.129 6 H SER 2 H SER 2 11.325 -23.468 28.571 7 HA SER 2 HA SER 2 8.504 -24.217 28.153 8 HB2 SER 2 HB2 SER 2 8.325 -23.736 30.566 9 HB3 SER 2 HB3 SER 2 9.623 -24.875 30.194 10 HG SER 2 HG SER 2 11.141 -23.331 30.551 11 H PHE 3 H PHE 3 10.126 -21.410 27.386 12 HA PHE 3 HA PHE 3 7.758 -19.659 27.932 13 HB2 PHE 3 HB2 PHE 3 9.501 -19.519 29.725 14 HB3 PHE 3 HB3 PHE 3 10.681 -19.052 28.516 15 HD1 PHE 3 HD2 PHE 3 10.601 -16.794 27.470 16 HD2 PHE 3 HD1 PHE 3 7.827 -17.968 30.560 17 HE1 PHE 3 HE2 PHE 3 10.041 -14.414 27.878 18 HE2 PHE 3 HE1 PHE 3 7.266 -15.585 30.956 19 HZ PHE 3 HZ PHE 3 8.383 -13.802 29.625 20 H THR 4 H THR 4 7.223 -18.296 26.262 21 HA THR 4 HA THR 4 8.460 -18.675 23.693 22 HB THR 4 HB THR 4 6.441 -16.641 24.685 23 HG1 THR 4 HG1 THR 4 6.273 -19.000 23.111 24 HG21 THR 4 HG21 THR 4 5.823 -16.264 22.337 25 HG22 THR 4 HG22 THR 4 7.204 -17.241 21.796 26 HG23 THR 4 HG23 THR 4 7.460 -15.703 22.651 27 H MET 5 H MET 5 9.934 -17.548 22.567 28 HA MET 5 HA MET 5 11.973 -16.229 23.854 29 HB2 MET 5 HB2 MET 5 11.140 -16.120 20.942 30 HB3 MET 5 HB3 MET 5 12.634 -15.393 21.550 31 HG2 MET 5 HG2 MET 5 13.355 -17.576 22.447 32 HG3 MET 5 HG3 MET 5 11.901 -18.333 21.786 33 HE1 MET 5 HE1 MET 5 14.907 -19.635 19.567 34 HE2 MET 5 HE2 MET 5 14.950 -19.231 21.295 35 HE3 MET 5 HE3 MET 5 13.562 -20.119 20.623 36 HA PRO 6 HA PRO 6 10.388 -11.990 24.137 37 HB2 PRO 6 HB2 PRO 6 12.085 -11.005 25.986 38 HB3 PRO 6 HB3 PRO 6 10.919 -12.297 26.407 39 HG2 PRO 6 HG2 PRO 6 13.850 -12.610 25.653 40 HG3 PRO 6 HG3 PRO 6 12.997 -13.297 27.073 41 HD2 PRO 6 HD2 PRO 6 13.387 -14.679 24.714 42 HD3 PRO 6 HD3 PRO 6 11.971 -14.946 25.777 43 H GLY 7 H GLY 7 11.359 -9.766 23.932 44 HA2 GLY 7 HA2 GLY 7 12.909 -8.181 23.293 45 HA3 GLY 7 HA3 GLY 7 14.077 -9.468 23.027 46 H LEU 8 H LEU 8 12.422 -10.813 20.932 47 HA LEU 8 HA LEU 8 12.976 -9.083 18.654 48 HB2 LEU 8 HB2 LEU 8 12.519 -10.845 17.251 49 HB3 LEU 8 HB3 LEU 8 13.436 -11.485 18.596 50 HG LEU 8 HG LEU 8 10.430 -11.784 18.209 51 HD11 LEU 8 HD11 LEU 8 10.964 -14.124 17.622 52 HD12 LEU 8 HD12 LEU 8 12.698 -13.768 17.776 53 HD13 LEU 8 HD13 LEU 8 11.736 -12.989 16.502 54 HD21 LEU 8 HD21 LEU 8 10.898 -12.015 20.570 55 HD22 LEU 8 HD22 LEU 8 12.316 -13.048 20.236 56 HD23 LEU 8 HD23 LEU 8 10.673 -13.627 19.903 57 H VAL 9 H VAL 9 11.162 -7.885 20.411 58 HA VAL 9 HA VAL 9 8.903 -7.179 18.759 59 HB VAL 9 HB VAL 9 7.402 -7.238 20.807 60 HG11 VAL 9 HG11 VAL 9 6.684 -9.549 20.487 61 HG12 VAL 9 HG12 VAL 9 7.135 -8.830 18.933 62 HG13 VAL 9 HG13 VAL 9 8.240 -9.968 19.740 63 HG21 VAL 9 HG21 VAL 9 7.806 -8.867 22.564 64 HG22 VAL 9 HG22 VAL 9 9.380 -9.295 21.881 65 HG23 VAL 9 HG23 VAL 9 9.107 -7.675 22.560 66 H ASP 10 H ASP 10 8.194 -5.206 19.326 67 HA ASP 10 HA ASP 10 9.013 -3.782 21.692 68 HB2 ASP 10 HB2 ASP 10 11.035 -3.416 20.187 69 HB3 ASP 10 HB3 ASP 10 9.973 -2.535 19.087 70 H SER 11 H SER 11 7.398 -2.486 22.272 71 HA SER 11 HA SER 11 5.023 -2.116 20.703 72 HB2 SER 11 HB2 SER 11 4.259 -0.762 22.595 73 HB3 SER 11 HB3 SER 11 5.021 -2.259 23.154 74 HG SER 11 HG SER 11 5.629 0.208 23.815 75 H ASN 12 H ASN 12 3.974 -0.038 20.223 76 HA ASN 12 HA ASN 12 5.717 1.770 18.849 77 HB2 ASN 12 HB2 ASN 12 3.733 3.015 18.257 78 HB3 ASN 12 HB3 ASN 12 3.490 1.291 18.007 79 HD21 ASN 12 HD21 ASN 12 1.943 0.174 19.360 80 HD22 ASN 12 HD22 ASN 12 0.763 1.113 20.257 81 HA PRO 13 HA PRO 13 6.481 4.608 22.229 82 HB2 PRO 13 HB2 PRO 13 7.996 6.463 20.987 83 HB3 PRO 13 HB3 PRO 13 8.552 4.767 21.138 84 HG2 PRO 13 HG2 PRO 13 7.181 6.071 18.755 85 HG3 PRO 13 HG3 PRO 13 8.688 5.096 18.767 86 HD2 PRO 13 HD2 PRO 13 6.208 4.035 18.197 87 HD3 PRO 13 HD3 PRO 13 7.506 3.097 18.993 88 H ALA 14 H ALA 14 6.143 6.878 22.850 89 HA ALA 14 HA ALA 14 3.669 8.054 22.063 90 HB1 ALA 14 HB1 ALA 14 4.728 8.375 24.267 91 HB2 ALA 14 HB2 ALA 14 6.057 9.276 23.506 92 HB3 ALA 14 HB3 ALA 14 4.404 9.931 23.478 93 HA PRO 15 HA PRO 15 4.571 10.073 18.348 94 HB2 PRO 15 HB2 PRO 15 3.195 12.574 19.334 95 HB3 PRO 15 HB3 PRO 15 2.954 11.679 17.801 96 HG2 PRO 15 HG2 PRO 15 1.210 11.352 19.841 97 HG3 PRO 15 HG3 PRO 15 1.789 9.914 18.937 98 HD2 PRO 15 HD2 PRO 15 2.777 10.982 21.598 99 HD3 PRO 15 HD3 PRO 15 2.350 9.314 21.138 100 HA PRO 16 HA PRO 16 8.118 12.868 19.099 101 HB2 PRO 16 HB2 PRO 16 9.388 12.674 16.725 102 HB3 PRO 16 HB3 PRO 16 9.277 11.283 17.844 103 HG2 PRO 16 HG2 PRO 16 7.507 11.865 15.448 104 HG3 PRO 16 HG3 PRO 16 8.357 10.340 15.846 105 HD2 PRO 16 HD2 PRO 16 5.725 10.817 16.508 106 HD3 PRO 16 HD3 PRO 16 6.799 9.796 17.512 107 H GLU 17 H GLU 17 6.015 14.297 19.183 108 HA GLU 17 HA GLU 17 5.354 15.856 16.807 109 HB2 GLU 17 HB2 GLU 17 3.667 16.877 18.223 110 HB3 GLU 17 HB3 GLU 17 3.643 15.119 18.381 111 HG2 GLU 17 HG2 GLU 17 4.933 15.319 20.511 112 HG3 GLU 17 HG3 GLU 17 4.875 17.080 20.386 113 H SER 18 H SER 18 7.352 16.466 19.671 114 HA SER 18 HA SER 18 7.467 19.339 19.327 115 HB2 SER 18 HB2 SER 18 9.116 17.364 20.911 116 HB3 SER 18 HB3 SER 18 9.447 19.106 20.897 117 HG SER 18 HG SER 18 8.076 18.283 22.596 118 H GLN 19 H GLN 19 9.194 20.623 18.736 119 HA GLN 19 HA GLN 19 10.835 19.719 16.479 120 HB2 GLN 19 HB2 GLN 19 10.615 22.392 17.889 121 HB3 GLN 19 HB3 GLN 19 11.576 22.082 16.443 122 HG2 GLN 19 HG2 GLN 19 9.551 21.532 15.164 123 HG3 GLN 19 HG3 GLN 19 8.546 21.750 16.601 124 HE21 GLN 19 HE21 GLN 19 8.017 23.904 17.290 125 HE22 GLN 19 HE22 GLN 19 8.541 25.314 16.358 126 H GLU 20 H GLU 20 11.828 18.061 17.843 127 HA GLU 20 HA GLU 20 14.450 18.943 18.907 128 HB2 GLU 20 HB2 GLU 20 14.204 17.701 20.952 129 HB3 GLU 20 HB3 GLU 20 12.911 18.882 20.839 130 HG2 GLU 20 HG2 GLU 20 11.371 17.058 20.063 131 HG3 GLU 20 HG3 GLU 20 12.673 15.887 20.310 132 H LYS 21 H LYS 21 15.750 16.812 19.499 133 HA LYS 21 HA LYS 21 15.546 14.952 17.172 134 HB2 LYS 21 HB2 LYS 21 17.647 16.262 17.638 135 HB3 LYS 21 HB3 LYS 21 17.819 15.374 19.151 136 HG2 LYS 21 HG2 LYS 21 18.009 13.239 17.847 137 HG3 LYS 21 HG3 LYS 21 17.832 14.168 16.342 138 HD2 LYS 21 HD2 LYS 21 19.896 15.474 16.964 139 HD3 LYS 21 HD3 LYS 21 20.039 14.508 18.427 140 HE2 LYS 21 HE2 LYS 21 21.605 13.667 16.847 141 HE3 LYS 21 HE3 LYS 21 20.331 12.455 17.026 142 HZ1 LYS 21 HZ1 LYS 21 20.494 14.414 14.778 143 HZ2 LYS 21 HZ2 LYS 21 19.425 13.146 14.908 144 HZ3 LYS 21 HZ3 LYS 21 21.002 12.857 14.711 145 H LYS 22 H LYS 22 15.341 12.756 17.441 146 HA LYS 22 HA LYS 22 14.877 11.625 20.183 147 HB2 LYS 22 HB2 LYS 22 13.751 10.859 17.457 148 HB3 LYS 22 HB3 LYS 22 13.481 9.910 18.897 149 HG2 LYS 22 HG2 LYS 22 12.598 12.826 18.684 150 HG3 LYS 22 HG3 LYS 22 11.636 11.464 18.129 151 HD2 LYS 22 HD2 LYS 22 10.747 11.805 20.194 152 HD3 LYS 22 HD3 LYS 22 11.894 10.515 20.537 153 HE2 LYS 22 HE2 LYS 22 13.492 12.176 21.474 154 HE3 LYS 22 HE3 LYS 22 12.418 13.496 20.986 155 HZ1 LYS 22 HZ1 LYS 22 10.722 12.537 22.469 156 HZ2 LYS 22 HZ2 LYS 22 12.061 12.973 23.300 157 HZ3 LYS 22 HZ3 LYS 22 11.791 11.377 22.955 158 HA PRO 23 HA PRO 23 18.209 8.756 19.543 159 HB2 PRO 23 HB2 PRO 23 17.340 6.472 20.794 160 HB3 PRO 23 HB3 PRO 23 17.832 7.950 21.678 161 HG2 PRO 23 HG2 PRO 23 15.015 7.126 20.871 162 HG3 PRO 23 HG3 PRO 23 15.593 7.617 22.496 163 HD2 PRO 23 HD2 PRO 23 14.408 9.412 20.891 164 HD3 PRO 23 HD3 PRO 23 15.868 9.877 21.812 165 H LEU 24 H LEU 24 18.859 6.985 18.270 166 HA LEU 24 HA LEU 24 17.139 6.585 15.931 167 HB2 LEU 24 HB2 LEU 24 20.028 5.916 16.598 168 HB3 LEU 24 HB3 LEU 24 19.251 5.312 15.150 169 HG LEU 24 HG LEU 24 20.600 7.232 14.645 170 HD11 LEU 24 HD11 LEU 24 18.538 6.818 13.325 171 HD12 LEU 24 HD12 LEU 24 19.037 8.519 13.347 172 HD13 LEU 24 HD13 LEU 24 17.670 7.994 14.343 173 HD21 LEU 24 HD21 LEU 24 18.763 8.962 16.343 174 HD22 LEU 24 HD22 LEU 24 20.152 9.477 15.372 175 HD23 LEU 24 HD23 LEU 24 20.412 8.463 16.801 176 H LYS 25 H LYS 25 15.507 5.350 16.532 177 HA LYS 25 HA LYS 25 16.007 2.439 16.826 178 HB2 LYS 25 HB2 LYS 25 13.935 4.028 18.408 179 HB3 LYS 25 HB3 LYS 25 14.072 2.266 18.387 180 HG2 LYS 25 HG2 LYS 25 16.400 2.471 19.301 181 HG3 LYS 25 HG3 LYS 25 16.148 4.220 19.451 182 HD2 LYS 25 HD2 LYS 25 14.187 3.756 20.964 183 HD3 LYS 25 HD3 LYS 25 14.608 2.025 20.906 184 HE2 LYS 25 HE2 LYS 25 16.903 2.591 21.751 185 HE3 LYS 25 HE3 LYS 25 16.440 4.294 21.819 186 HZ1 LYS 25 HZ1 LYS 25 14.634 3.555 23.409 187 HZ2 LYS 25 HZ2 LYS 25 16.175 3.507 23.955 188 HZ3 LYS 25 HZ3 LYS 25 15.414 2.105 23.513 189 HA PRO 26 HA PRO 26 13.314 1.901 13.450 190 HB2 PRO 26 HB2 PRO 26 11.724 -0.100 15.066 191 HB3 PRO 26 HB3 PRO 26 12.354 -0.243 13.398 192 HG2 PRO 26 HG2 PRO 26 13.688 -1.407 15.437 193 HG3 PRO 26 HG3 PRO 26 14.601 -0.495 14.188 194 HD2 PRO 26 HD2 PRO 26 13.791 0.404 16.959 195 HD3 PRO 26 HD3 PRO 26 15.333 0.623 16.095 196 H CYS 27 H CYS 27 11.610 2.881 16.342 197 HA CYS 27 HA CYS 27 9.744 3.978 16.762 198 HB2 CYS 27 HB2 CYS 27 11.043 5.384 14.976 199 HB3 CYS 27 HB3 CYS 27 9.612 5.088 13.976 200 HG CYS 27 HG CYS 27 7.915 6.281 15.353 201 H CYS 28 H CYS 28 9.424 1.321 15.083 202 HA CYS 28 HA CYS 28 7.793 -0.158 14.755 203 HB2 CYS 28 HB2 CYS 28 6.490 1.513 16.893 204 HB3 CYS 28 HB3 CYS 28 6.006 -0.137 16.457 205 HG CYS 28 HG CYS 28 7.497 -0.233 18.662 206 H ALA 29 H ALA 29 7.574 1.998 12.773 207 HA ALA 29 HA ALA 29 4.686 1.935 12.108 208 HB1 ALA 29 HB1 ALA 29 5.919 4.059 11.832 209 HB2 ALA 29 HB2 ALA 29 7.052 3.264 10.721 210 HB3 ALA 29 HB3 ALA 29 5.341 3.440 10.277 211 H SER 30 H SER 30 4.354 1.417 9.650 212 HA SER 30 HA SER 30 5.876 -1.058 8.933 213 HB2 SER 30 HB2 SER 30 2.927 -0.516 8.476 214 HB3 SER 30 HB3 SER 30 3.807 -1.992 8.027 215 HG SER 30 HG SER 30 4.230 -2.362 10.217 216 HA PRO 31 HA PRO 31 6.208 2.139 5.463 217 HB2 PRO 31 HB2 PRO 31 8.926 2.143 5.222 218 HB3 PRO 31 HB3 PRO 31 8.039 3.179 6.377 219 HG2 PRO 31 HG2 PRO 31 9.312 0.471 6.941 220 HG3 PRO 31 HG3 PRO 31 9.534 2.009 7.847 221 HD2 PRO 31 HD2 PRO 31 7.778 0.195 8.717 222 HD3 PRO 31 HD3 PRO 31 7.309 1.904 8.697 223 H GLU 32 H GLU 32 7.413 -1.156 5.992 224 HA GLU 32 HA GLU 32 8.041 -1.910 3.349 225 HB2 GLU 32 HB2 GLU 32 7.301 -4.151 3.982 226 HB3 GLU 32 HB3 GLU 32 8.338 -3.438 5.198 227 HG2 GLU 32 HG2 GLU 32 5.411 -3.025 5.693 228 HG3 GLU 32 HG3 GLU 32 5.928 -4.705 5.658 229 H THR 33 H THR 33 4.871 -1.060 4.657 230 HA THR 33 HA THR 33 3.378 -2.288 2.440 231 HB THR 33 HB THR 33 1.404 -1.252 3.393 232 HG1 THR 33 HG1 THR 33 3.106 -0.249 5.434 233 HG21 THR 33 HG21 THR 33 1.274 -2.459 5.470 234 HG22 THR 33 HG22 THR 33 3.043 -2.550 5.608 235 HG23 THR 33 HG23 THR 33 2.193 -3.429 4.315 236 H LYS 34 H LYS 34 4.695 0.901 3.241 237 HA LYS 34 HA LYS 34 3.369 2.204 0.975 238 HB2 LYS 34 HB2 LYS 34 3.925 4.076 1.947 239 HB3 LYS 34 HB3 LYS 34 4.431 3.134 3.321 240 HG2 LYS 34 HG2 LYS 34 6.785 3.162 2.405 241 HG3 LYS 34 HG3 LYS 34 6.215 4.258 1.123 242 HD2 LYS 34 HD2 LYS 34 5.418 5.833 2.968 243 HD3 LYS 34 HD3 LYS 34 6.142 4.724 4.136 244 HE2 LYS 34 HE2 LYS 34 7.828 6.275 3.928 245 HE3 LYS 34 HE3 LYS 34 8.352 5.052 2.763 246 HZ1 LYS 34 HZ1 LYS 34 6.962 7.608 2.186 247 HZ2 LYS 34 HZ2 LYS 34 7.244 6.484 1.019 248 HZ3 LYS 34 HZ3 LYS 34 8.500 7.218 1.747 249 H LYS 35 H LYS 35 6.510 0.684 1.570 250 HA LYS 35 HA LYS 35 7.501 1.023 -1.157 251 HB2 LYS 35 HB2 LYS 35 8.249 -0.728 1.203 252 HB3 LYS 35 HB3 LYS 35 8.913 -1.050 -0.390 253 HG2 LYS 35 HG2 LYS 35 10.482 0.263 0.875 254 HG3 LYS 35 HG3 LYS 35 9.911 1.163 -0.526 255 HD2 LYS 35 HD2 LYS 35 8.409 2.485 0.950 256 HD3 LYS 35 HD3 LYS 35 9.019 1.626 2.369 257 HE2 LYS 35 HE2 LYS 35 10.728 3.289 0.447 258 HE3 LYS 35 HE3 LYS 35 9.982 3.927 1.912 259 HZ1 LYS 35 HZ1 LYS 35 12.179 3.357 2.468 260 HZ2 LYS 35 HZ2 LYS 35 12.106 1.868 1.803 261 HZ3 LYS 35 HZ3 LYS 35 11.265 2.186 3.164 262 H ALA 36 H ALA 36 5.489 -1.556 0.371 263 HA ALA 36 HA ALA 36 5.314 -3.154 -2.009 264 HB1 ALA 36 HB1 ALA 36 4.752 -4.014 0.242 265 HB2 ALA 36 HB2 ALA 36 3.353 -2.927 0.309 266 HB3 ALA 36 HB3 ALA 36 3.418 -4.225 -0.892 267 H ARG 37 H ARG 37 3.254 -0.502 -0.793 268 HA ARG 37 HA ARG 37 1.274 -0.418 -2.801 269 HB2 ARG 37 HB2 ARG 37 1.220 0.872 -0.677 270 HB3 ARG 37 HB3 ARG 37 2.608 1.791 -1.209 271 HG2 ARG 37 HG2 ARG 37 1.151 2.657 -3.146 272 HG3 ARG 37 HG3 ARG 37 -0.215 1.879 -2.325 273 HD2 ARG 37 HD2 ARG 37 -0.102 4.241 -1.701 274 HD3 ARG 37 HD3 ARG 37 0.296 3.248 -0.285 275 HE ARG 37 HE ARG 37 2.698 3.853 -1.660 276 HH11 ARG 37 HH11 ARG 37 0.251 5.617 0.231 277 HH12 ARG 37 HH12 ARG 37 1.403 6.809 0.799 278 HH21 ARG 37 HH21 ARG 37 4.152 5.385 -0.903 279 HH22 ARG 37 HH22 ARG 37 3.621 6.676 0.153 280 H ASP 38 H ASP 38 4.378 1.388 -2.639 281 HA ASP 38 HA ASP 38 4.095 2.575 -5.204 282 HB2 ASP 38 HB2 ASP 38 6.546 2.031 -3.497 283 HB3 ASP 38 HB3 ASP 38 6.536 3.046 -4.945 284 H ALA 39 H ALA 39 5.826 -0.470 -4.254 285 HA ALA 39 HA ALA 39 6.568 -1.217 -6.896 286 HB1 ALA 39 HB1 ALA 39 5.821 -2.971 -4.519 287 HB2 ALA 39 HB2 ALA 39 6.725 -3.480 -5.960 288 HB3 ALA 39 HB3 ALA 39 7.429 -2.286 -4.859 289 H CYS 40 H CYS 40 3.389 -1.612 -5.229 290 HA CYS 40 HA CYS 40 2.250 -3.214 -7.342 291 HB2 CYS 40 HB2 CYS 40 1.379 -2.900 -4.927 292 HB3 CYS 40 HB3 CYS 40 0.766 -1.340 -5.417 293 H ILE 41 H ILE 41 2.211 0.328 -6.665 294 HA ILE 41 HA ILE 41 0.664 0.993 -9.005 295 HB ILE 41 HB ILE 41 2.246 2.532 -6.956 296 HG12 ILE 41 HG12 ILE 41 0.052 3.788 -6.851 297 HG13 ILE 41 HG13 ILE 41 -0.586 2.708 -8.087 298 HG21 ILE 41 HG21 ILE 41 1.172 3.755 -9.528 299 HG22 ILE 41 HG22 ILE 41 1.760 4.654 -8.114 300 HG23 ILE 41 HG23 ILE 41 2.890 3.683 -9.044 301 HD11 ILE 41 HD11 ILE 41 -1.420 2.102 -5.895 302 HD12 ILE 41 HD12 ILE 41 -0.376 0.805 -6.488 303 HD13 ILE 41 HD13 ILE 41 0.224 1.949 -5.265 304 H ILE 42 H ILE 42 4.179 0.600 -8.487 305 HA ILE 42 HA ILE 42 4.966 1.439 -11.134 306 HB ILE 42 HB ILE 42 6.191 -0.389 -9.058 307 HG12 ILE 42 HG12 ILE 42 7.186 2.272 -10.178 308 HG13 ILE 42 HG13 ILE 42 6.073 2.195 -8.830 309 HG21 ILE 42 HG21 ILE 42 8.282 -0.438 -10.403 310 HG22 ILE 42 HG22 ILE 42 6.979 -1.286 -11.212 311 HG23 ILE 42 HG23 ILE 42 7.432 0.350 -11.744 312 HD11 ILE 42 HD11 ILE 42 8.909 1.094 -8.874 313 HD12 ILE 42 HD12 ILE 42 8.285 2.472 -7.955 314 HD13 ILE 42 HD13 ILE 42 7.751 0.830 -7.548 315 H GLU 43 H GLU 43 4.130 -1.819 -9.868 316 HA GLU 43 HA GLU 43 4.545 -3.053 -12.445 317 HB2 GLU 43 HB2 GLU 43 3.425 -4.037 -9.815 318 HB3 GLU 43 HB3 GLU 43 3.742 -5.104 -11.184 319 HG2 GLU 43 HG2 GLU 43 5.942 -3.374 -9.983 320 HG3 GLU 43 HG3 GLU 43 5.455 -4.893 -9.257 321 H LYS 44 H LYS 44 1.617 -2.141 -10.689 322 HA LYS 44 HA LYS 44 -0.141 -3.388 -12.786 323 HB2 LYS 44 HB2 LYS 44 -0.861 -3.098 -9.872 324 HB3 LYS 44 HB3 LYS 44 -1.555 -4.171 -11.084 325 HG2 LYS 44 HG2 LYS 44 0.596 -5.480 -11.088 326 HG3 LYS 44 HG3 LYS 44 1.180 -4.453 -9.769 327 HD2 LYS 44 HD2 LYS 44 -0.694 -5.148 -8.347 328 HD3 LYS 44 HD3 LYS 44 -1.275 -6.238 -9.617 329 HE2 LYS 44 HE2 LYS 44 0.708 -7.605 -9.476 330 HE3 LYS 44 HE3 LYS 44 1.540 -6.417 -8.467 331 HZ1 LYS 44 HZ1 LYS 44 -0.856 -7.966 -7.593 332 HZ2 LYS 44 HZ2 LYS 44 -0.035 -6.873 -6.682 333 HZ3 LYS 44 HZ3 LYS 44 0.677 -8.261 -7.122 334 H GLY 45 H GLY 45 0.241 -0.637 -10.605 335 HA2 GLY 45 HA2 GLY 45 -0.452 1.578 -11.110 336 HA3 GLY 45 HA3 GLY 45 -1.609 0.961 -12.280 337 H GLU 46 H GLU 46 -2.237 2.981 -10.453 338 HA GLU 46 HA GLU 46 -3.377 2.182 -7.995 339 HB2 GLU 46 HB2 GLU 46 -4.060 4.514 -9.833 340 HB3 GLU 46 HB3 GLU 46 -4.744 4.308 -8.215 341 HG2 GLU 46 HG2 GLU 46 -2.441 4.245 -7.266 342 HG3 GLU 46 HG3 GLU 46 -1.791 4.562 -8.881 343 H GLU 47 H GLU 47 -4.778 1.987 -11.178 344 HA GLU 47 HA GLU 47 -7.488 1.333 -10.517 345 HB2 GLU 47 HB2 GLU 47 -7.605 0.665 -12.888 346 HB3 GLU 47 HB3 GLU 47 -6.834 2.225 -12.655 347 HG2 GLU 47 HG2 GLU 47 -4.562 0.897 -12.775 348 HG3 GLU 47 HG3 GLU 47 -5.556 -0.422 -13.390 349 H HIS 48 H HIS 48 -4.696 -0.593 -10.051 350 HA HIS 48 HA HIS 48 -6.367 -3.063 -9.762 351 HB2 HIS 48 HB2 HIS 48 -3.508 -2.826 -10.758 352 HB3 HIS 48 HB3 HIS 48 -4.358 -4.342 -10.471 353 HD1 HIS 48 HD1 HIS 48 -3.498 -2.229 -13.257 354 HD2 HIS 48 HD2 HIS 48 -6.825 -4.506 -12.059 355 HE1 HIS 48 HE1 HIS 48 -4.891 -2.649 -15.369 356 H CYS 49 H CYS 49 -4.996 -0.852 -7.844 357 HA CYS 49 HA CYS 49 -3.690 -2.812 -5.988 358 HB2 CYS 49 HB2 CYS 49 -2.929 0.013 -6.720 359 HB3 CYS 49 HB3 CYS 49 -2.213 -0.866 -5.368 360 H GLY 50 H GLY 50 -6.570 -1.870 -5.868 361 HA2 GLY 50 HA2 GLY 50 -6.913 0.154 -3.935 362 HA3 GLY 50 HA3 GLY 50 -8.085 -1.104 -4.327 363 H HIS 51 H HIS 51 -6.573 -3.403 -3.381 364 HA HIS 51 HA HIS 51 -7.127 -3.087 -0.531 365 HB2 HIS 51 HB2 HIS 51 -7.794 -5.124 -1.771 366 HB3 HIS 51 HB3 HIS 51 -6.083 -5.531 -1.976 367 HD1 HIS 51 HD1 HIS 51 -8.166 -4.466 1.180 368 HD2 HIS 51 HD2 HIS 51 -5.332 -7.272 -0.188 369 HE1 HIS 51 HE1 HIS 51 -7.516 -5.875 3.196 370 H LEU 52 H LEU 52 -4.221 -2.970 -2.529 371 HA LEU 52 HA LEU 52 -2.372 -3.194 -0.324 372 HB2 LEU 52 HB2 LEU 52 -2.054 -3.218 -2.998 373 HB3 LEU 52 HB3 LEU 52 -1.778 -1.507 -2.751 374 HG LEU 52 HG LEU 52 0.348 -2.497 -2.733 375 HD11 LEU 52 HD11 LEU 52 -0.001 -0.958 -0.759 376 HD12 LEU 52 HD12 LEU 52 1.268 -2.177 -0.515 377 HD13 LEU 52 HD13 LEU 52 -0.293 -2.396 0.244 378 HD21 LEU 52 HD21 LEU 52 0.991 -4.472 -1.456 379 HD22 LEU 52 HD22 LEU 52 -0.370 -4.842 -2.523 380 HD23 LEU 52 HD23 LEU 52 -0.649 -4.611 -0.787 381 H ILE 53 H ILE 53 -3.914 -0.400 -1.935 382 HA ILE 53 HA ILE 53 -2.888 1.695 -0.284 383 HB ILE 53 HB ILE 53 -5.426 1.359 -1.891 384 HG12 ILE 53 HG12 ILE 53 -3.032 3.147 -2.485 385 HG13 ILE 53 HG13 ILE 53 -2.997 1.442 -2.923 386 HG21 ILE 53 HG21 ILE 53 -4.420 3.960 -0.660 387 HG22 ILE 53 HG22 ILE 53 -5.784 3.787 -1.773 388 HG23 ILE 53 HG23 ILE 53 -5.896 3.089 -0.171 389 HD11 ILE 53 HD11 ILE 53 -5.106 3.394 -3.853 390 HD12 ILE 53 HD12 ILE 53 -3.741 2.776 -4.811 391 HD13 ILE 53 HD13 ILE 53 -5.023 1.672 -4.261 392 H GLU 54 H GLU 54 -5.762 -0.370 0.072 393 HA GLU 54 HA GLU 54 -6.754 0.664 2.529 394 HB2 GLU 54 HB2 GLU 54 -8.004 -0.787 0.998 395 HB3 GLU 54 HB3 GLU 54 -6.927 -2.140 1.397 396 HG2 GLU 54 HG2 GLU 54 -7.658 -2.102 3.726 397 HG3 GLU 54 HG3 GLU 54 -8.614 -0.645 3.420 398 H ALA 55 H ALA 55 -4.479 -2.058 1.959 399 HA ALA 55 HA ALA 55 -4.124 -2.737 4.711 400 HB1 ALA 55 HB1 ALA 55 -3.615 -4.266 2.888 401 HB2 ALA 55 HB2 ALA 55 -2.330 -3.189 2.284 402 HB3 ALA 55 HB3 ALA 55 -2.158 -3.995 3.861 403 H HIS 56 H HIS 56 -2.307 -0.478 2.597 404 HA HIS 56 HA HIS 56 -0.328 0.313 4.512 405 HB2 HIS 56 HB2 HIS 56 -0.060 0.824 2.185 406 HB3 HIS 56 HB3 HIS 56 -1.600 1.672 2.113 407 HD1 HIS 56 HD1 HIS 56 -1.486 4.244 2.422 408 HD2 HIS 56 HD2 HIS 56 1.903 2.161 3.805 409 HE1 HIS 56 HE1 HIS 56 0.222 6.007 3.082 410 H LYS 57 H LYS 57 -3.541 1.863 3.758 411 HA LYS 57 HA LYS 57 -3.213 3.811 5.833 412 HB2 LYS 57 HB2 LYS 57 -5.434 4.498 5.497 413 HB3 LYS 57 HB3 LYS 57 -4.758 4.062 3.929 414 HG2 LYS 57 HG2 LYS 57 -5.973 1.941 3.970 415 HG3 LYS 57 HG3 LYS 57 -6.690 2.352 5.543 416 HD2 LYS 57 HD2 LYS 57 -7.681 4.412 4.432 417 HD3 LYS 57 HD3 LYS 57 -7.094 3.777 2.882 418 HE2 LYS 57 HE2 LYS 57 -8.446 1.675 3.324 419 HE3 LYS 57 HE3 LYS 57 -9.101 2.454 4.768 420 HZ1 LYS 57 HZ1 LYS 57 -9.949 4.236 3.285 421 HZ2 LYS 57 HZ2 LYS 57 -10.612 2.790 2.912 422 HZ3 LYS 57 HZ3 LYS 57 -9.425 3.402 1.967 423 H GLU 58 H GLU 58 -4.790 0.618 6.004 424 HA GLU 58 HA GLU 58 -5.528 0.945 8.787 425 HB2 GLU 58 HB2 GLU 58 -5.216 -1.550 7.085 426 HB3 GLU 58 HB3 GLU 58 -5.768 -1.544 8.772 427 HG2 GLU 58 HG2 GLU 58 -7.571 0.088 8.136 428 HG3 GLU 58 HG3 GLU 58 -7.131 -0.119 6.445 429 H SER 59 H SER 59 -2.587 -0.492 7.302 430 HA SER 59 HA SER 59 -1.370 -1.396 9.714 431 HB2 SER 59 HB2 SER 59 -0.059 -0.279 7.210 432 HB3 SER 59 HB3 SER 59 0.773 -1.179 8.499 433 HG SER 59 HG SER 59 -1.229 -2.072 6.722 434 H MET 60 H MET 60 -1.298 1.857 8.203 435 HA MET 60 HA MET 60 0.132 2.898 10.572 436 HB2 MET 60 HB2 MET 60 -0.396 3.902 7.853 437 HB3 MET 60 HB3 MET 60 -0.518 5.115 9.123 438 HG2 MET 60 HG2 MET 60 1.757 5.032 8.295 439 HG3 MET 60 HG3 MET 60 1.646 4.614 9.996 440 HE1 MET 60 HE1 MET 60 1.121 2.464 6.642 441 HE2 MET 60 HE2 MET 60 2.513 3.547 6.412 442 HE3 MET 60 HE3 MET 60 2.759 1.794 6.506 443 H ARG 61 H ARG 61 -3.271 2.594 9.751 444 HA ARG 61 HA ARG 61 -4.233 4.403 11.775 445 HB2 ARG 61 HB2 ARG 61 -5.579 3.372 9.969 446 HB3 ARG 61 HB3 ARG 61 -5.519 1.825 10.804 447 HG2 ARG 61 HG2 ARG 61 -6.628 4.306 12.168 448 HG3 ARG 61 HG3 ARG 61 -7.588 3.387 11.006 449 HD2 ARG 61 HD2 ARG 61 -7.198 1.311 12.395 450 HD3 ARG 61 HD3 ARG 61 -6.551 2.373 13.658 451 HE ARG 61 HE ARG 61 -9.133 3.218 12.631 452 HH11 ARG 61 HH11 ARG 61 -7.556 1.127 15.047 453 HH12 ARG 61 HH12 ARG 61 -8.987 1.037 16.055 454 HH21 ARG 61 HH21 ARG 61 -10.964 3.062 13.949 455 HH22 ARG 61 HH22 ARG 61 -10.910 2.145 15.439 456 H ALA 62 H ALA 62 -2.979 1.060 11.956 457 HA ALA 62 HA ALA 62 -3.428 0.599 14.714 458 HB1 ALA 62 HB1 ALA 62 -1.521 -0.905 14.591 459 HB2 ALA 62 HB2 ALA 62 -2.467 -1.030 13.097 460 HB3 ALA 62 HB3 ALA 62 -0.938 -0.118 13.117 461 H LEU 63 H LEU 63 -1.258 3.011 13.285 462 HA LEU 63 HA LEU 63 0.055 3.554 15.904 463 HB2 LEU 63 HB2 LEU 63 0.564 4.530 13.066 464 HB3 LEU 63 HB3 LEU 63 1.289 5.275 14.476 465 HG LEU 63 HG LEU 63 2.872 3.853 13.460 466 HD11 LEU 63 HD11 LEU 63 2.865 3.978 15.949 467 HD12 LEU 63 HD12 LEU 63 3.592 2.498 15.306 468 HD13 LEU 63 HD13 LEU 63 1.961 2.441 15.994 469 HD21 LEU 63 HD21 LEU 63 1.079 1.455 13.931 470 HD22 LEU 63 HD22 LEU 63 2.661 1.491 13.148 471 HD23 LEU 63 HD23 LEU 63 1.275 2.280 12.369 472 H GLY 64 H GLY 64 -2.789 4.402 14.414 473 HA2 GLY 64 HA2 GLY 64 -4.397 5.892 14.958 474 HA3 GLY 64 HA3 GLY 64 -3.433 6.321 16.368 475 H PHE 65 H PHE 65 -1.846 6.902 13.352 476 HA PHE 65 HA PHE 65 -2.559 9.803 13.463 477 HB2 PHE 65 HB2 PHE 65 -0.216 10.375 13.240 478 HB3 PHE 65 HB3 PHE 65 -0.616 9.511 14.696 479 HD1 PHE 65 HD1 PHE 65 0.172 7.724 11.407 480 HD2 PHE 65 HD2 PHE 65 1.568 8.970 15.308 481 HE1 PHE 65 HE1 PHE 65 2.246 6.454 11.084 482 HE2 PHE 65 HE2 PHE 65 3.627 7.634 14.976 483 HZ PHE 65 HZ PHE 65 3.978 6.388 12.857 484 H LYS 66 H LYS 66 -3.719 8.026 11.637 485 HA LYS 66 HA LYS 66 -2.575 8.950 9.010 486 HB2 LYS 66 HB2 LYS 66 -1.851 6.713 9.573 487 HB3 LYS 66 HB3 LYS 66 -3.477 6.158 9.862 488 HG2 LYS 66 HG2 LYS 66 -2.737 5.317 7.761 489 HG3 LYS 66 HG3 LYS 66 -3.998 6.485 7.412 490 HD2 LYS 66 HD2 LYS 66 -1.065 7.309 7.370 491 HD3 LYS 66 HD3 LYS 66 -1.731 6.403 6.014 492 HE2 LYS 66 HE2 LYS 66 -3.269 8.093 5.420 493 HE3 LYS 66 HE3 LYS 66 -3.086 8.934 6.962 494 HZ1 LYS 66 HZ1 LYS 66 -1.878 10.012 5.131 495 HZ2 LYS 66 HZ2 LYS 66 -0.880 8.703 5.022 496 HZ3 LYS 66 HZ3 LYS 66 -0.910 9.584 6.403 497 H ILE 67 H ILE 67 -5.472 7.418 10.371 498 HA ILE 67 HA ILE 67 -7.234 9.185 8.744 499 HB ILE 67 HB ILE 67 -8.793 7.160 8.527 500 HG12 ILE 67 HG12 ILE 67 -6.192 5.584 8.810 501 HG13 ILE 67 HG13 ILE 67 -7.467 5.648 10.040 502 HG21 ILE 67 HG21 ILE 67 -6.233 7.312 6.882 503 HG22 ILE 67 HG22 ILE 67 -7.758 6.560 6.370 504 HG23 ILE 67 HG23 ILE 67 -7.711 8.280 6.664 505 HD11 ILE 67 HD11 ILE 67 -9.076 4.670 8.393 506 HD12 ILE 67 HD12 ILE 67 -7.746 4.516 7.217 507 HD13 ILE 67 HD13 ILE 67 -7.695 3.605 8.720 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 43.688 -37.217 2.250 2 H2 GLY 1 H2 GLY 1 44.871 -37.415 1.119 3 H3 GLY 1 H3 GLY 1 43.784 -38.625 1.408 4 HA2 GLY 1 HA2 GLY 1 43.276 -37.477 -0.656 5 HA3 GLY 1 HA3 GLY 1 41.983 -37.390 0.550 6 H SER 2 H SER 2 42.127 -35.558 -1.525 7 HA SER 2 HA SER 2 42.956 -32.967 -0.409 8 HB2 SER 2 HB2 SER 2 41.623 -32.071 -2.313 9 HB3 SER 2 HB3 SER 2 42.888 -33.209 -2.810 10 HG SER 2 HG SER 2 41.004 -33.720 -3.880 11 H PHE 3 H PHE 3 41.423 -31.343 0.215 12 HA PHE 3 HA PHE 3 38.686 -32.204 1.002 13 HB2 PHE 3 HB2 PHE 3 38.893 -31.008 3.139 14 HB3 PHE 3 HB3 PHE 3 39.952 -32.397 3.045 15 HD1 PHE 3 HD1 PHE 3 39.878 -28.656 2.916 16 HD2 PHE 3 HD2 PHE 3 42.336 -32.182 3.273 17 HE1 PHE 3 HE1 PHE 3 41.811 -27.243 3.562 18 HE2 PHE 3 HE2 PHE 3 44.272 -30.758 3.917 19 HZ PHE 3 HZ PHE 3 44.015 -28.291 4.052 20 H THR 4 H THR 4 37.143 -30.438 1.105 21 HA THR 4 HA THR 4 37.638 -28.456 -0.932 22 HB THR 4 HB THR 4 35.302 -28.593 1.005 23 HG1 THR 4 HG1 THR 4 35.853 -29.755 -1.522 24 HG21 THR 4 HG21 THR 4 35.449 -26.446 -0.260 25 HG22 THR 4 HG22 THR 4 34.110 -27.440 -0.832 26 HG23 THR 4 HG23 THR 4 35.609 -27.369 -1.774 27 H MET 5 H MET 5 38.510 -26.537 -0.800 28 HA MET 5 HA MET 5 39.303 -25.485 1.836 29 HB2 MET 5 HB2 MET 5 40.224 -24.980 -1.007 30 HB3 MET 5 HB3 MET 5 40.778 -24.009 0.363 31 HG2 MET 5 HG2 MET 5 41.681 -25.968 1.472 32 HG3 MET 5 HG3 MET 5 41.096 -27.023 0.178 33 HE1 MET 5 HE1 MET 5 44.192 -26.412 1.506 34 HE2 MET 5 HE2 MET 5 43.726 -27.831 0.547 35 HE3 MET 5 HE3 MET 5 45.113 -26.840 0.050 36 HA PRO 6 HA PRO 6 36.543 -21.954 1.523 37 HB2 PRO 6 HB2 PRO 6 37.543 -20.333 3.446 38 HB3 PRO 6 HB3 PRO 6 36.794 -21.911 3.843 39 HG2 PRO 6 HG2 PRO 6 39.755 -21.297 3.495 40 HG3 PRO 6 HG3 PRO 6 38.966 -22.137 4.861 41 HD2 PRO 6 HD2 PRO 6 40.106 -23.506 2.798 42 HD3 PRO 6 HD3 PRO 6 38.612 -24.088 3.592 43 H GLY 7 H GLY 7 36.425 -19.943 0.604 44 HA2 GLY 7 HA2 GLY 7 36.933 -18.124 -0.663 45 HA3 GLY 7 HA3 GLY 7 38.424 -18.016 0.262 46 H LEU 8 H LEU 8 37.136 -20.148 -2.231 47 HA LEU 8 HA LEU 8 39.857 -20.278 -3.440 48 HB2 LEU 8 HB2 LEU 8 38.316 -22.271 -2.283 49 HB3 LEU 8 HB3 LEU 8 38.051 -22.554 -3.980 50 HG LEU 8 HG LEU 8 39.856 -23.909 -3.101 51 HD11 LEU 8 HD11 LEU 8 41.658 -23.458 -4.652 52 HD12 LEU 8 HD12 LEU 8 41.085 -21.801 -4.916 53 HD13 LEU 8 HD13 LEU 8 40.101 -23.187 -5.446 54 HD21 LEU 8 HD21 LEU 8 41.461 -21.387 -2.516 55 HD22 LEU 8 HD22 LEU 8 41.892 -23.067 -2.170 56 HD23 LEU 8 HD23 LEU 8 40.561 -22.294 -1.290 57 H VAL 9 H VAL 9 37.685 -18.412 -4.280 58 HA VAL 9 HA VAL 9 38.593 -18.420 -6.993 59 HB VAL 9 HB VAL 9 36.406 -17.642 -7.924 60 HG11 VAL 9 HG11 VAL 9 36.345 -20.571 -7.171 61 HG12 VAL 9 HG12 VAL 9 35.697 -19.787 -8.626 62 HG13 VAL 9 HG13 VAL 9 37.444 -19.878 -8.393 63 HG21 VAL 9 HG21 VAL 9 35.176 -19.060 -5.525 64 HG22 VAL 9 HG22 VAL 9 35.062 -17.330 -5.901 65 HG23 VAL 9 HG23 VAL 9 34.305 -18.510 -6.972 66 H ASP 10 H ASP 10 39.088 -16.450 -7.527 67 HA ASP 10 HA ASP 10 38.386 -14.164 -5.702 68 HB2 ASP 10 HB2 ASP 10 40.502 -15.129 -5.045 69 HB3 ASP 10 HB3 ASP 10 41.095 -15.080 -6.707 70 H SER 11 H SER 11 36.915 -13.311 -7.158 71 HA SER 11 HA SER 11 38.120 -11.302 -8.845 72 HB2 SER 11 HB2 SER 11 36.556 -11.738 -10.788 73 HB3 SER 11 HB3 SER 11 37.908 -12.866 -10.624 74 HG SER 11 HG SER 11 36.624 -14.441 -10.206 75 H ASN 12 H ASN 12 36.910 -9.421 -8.864 76 HA ASN 12 HA ASN 12 34.565 -9.500 -7.037 77 HB2 ASN 12 HB2 ASN 12 35.351 -7.326 -6.212 78 HB3 ASN 12 HB3 ASN 12 36.355 -8.721 -5.854 79 HD21 ASN 12 HD21 ASN 12 37.513 -6.468 -5.351 80 HD22 ASN 12 HD22 ASN 12 38.728 -6.088 -6.569 81 HA PRO 13 HA PRO 13 32.561 -7.443 -10.537 82 HB2 PRO 13 HB2 PRO 13 30.028 -8.303 -10.161 83 HB3 PRO 13 HB3 PRO 13 31.321 -9.356 -10.803 84 HG2 PRO 13 HG2 PRO 13 30.308 -9.178 -7.945 85 HG3 PRO 13 HG3 PRO 13 30.602 -10.650 -8.923 86 HD2 PRO 13 HD2 PRO 13 32.417 -9.664 -7.126 87 HD3 PRO 13 HD3 PRO 13 32.913 -10.507 -8.624 88 H ALA 14 H ALA 14 31.742 -5.454 -10.697 89 HA ALA 14 HA ALA 14 30.835 -3.946 -8.388 90 HB1 ALA 14 HB1 ALA 14 30.905 -3.209 -11.335 91 HB2 ALA 14 HB2 ALA 14 30.685 -2.094 -9.974 92 HB3 ALA 14 HB3 ALA 14 32.222 -2.960 -10.172 93 HA PRO 15 HA PRO 15 26.482 -4.842 -9.234 94 HB2 PRO 15 HB2 PRO 15 25.286 -3.459 -7.220 95 HB3 PRO 15 HB3 PRO 15 26.245 -4.941 -6.956 96 HG2 PRO 15 HG2 PRO 15 27.122 -2.055 -6.642 97 HG3 PRO 15 HG3 PRO 15 27.395 -3.411 -5.510 98 HD2 PRO 15 HD2 PRO 15 29.266 -2.560 -7.347 99 HD3 PRO 15 HD3 PRO 15 29.146 -4.258 -6.793 100 HA PRO 16 HA PRO 16 25.145 -1.556 -11.864 101 HB2 PRO 16 HB2 PRO 16 22.382 -1.804 -11.813 102 HB3 PRO 16 HB3 PRO 16 23.491 -2.909 -12.687 103 HG2 PRO 16 HG2 PRO 16 22.293 -3.257 -9.920 104 HG3 PRO 16 HG3 PRO 16 22.351 -4.447 -11.262 105 HD2 PRO 16 HD2 PRO 16 24.174 -4.506 -9.270 106 HD3 PRO 16 HD3 PRO 16 24.684 -4.803 -10.959 107 H GLU 17 H GLU 17 24.526 0.568 -11.867 108 HA GLU 17 HA GLU 17 25.097 1.777 -9.417 109 HB2 GLU 17 HB2 GLU 17 25.247 3.808 -10.553 110 HB3 GLU 17 HB3 GLU 17 25.695 2.589 -11.742 111 HG2 GLU 17 HG2 GLU 17 23.385 2.735 -12.705 112 HG3 GLU 17 HG3 GLU 17 22.981 3.985 -11.513 113 H SER 18 H SER 18 24.130 3.252 -8.066 114 HA SER 18 HA SER 18 21.556 4.331 -8.533 115 HB2 SER 18 HB2 SER 18 20.259 3.419 -6.743 116 HB3 SER 18 HB3 SER 18 20.748 2.111 -7.794 117 HG SER 18 HG SER 18 22.554 1.794 -6.258 118 H GLN 19 H GLN 19 20.984 5.989 -7.101 119 HA GLN 19 HA GLN 19 23.197 7.282 -5.743 120 HB2 GLN 19 HB2 GLN 19 20.235 7.966 -5.878 121 HB3 GLN 19 HB3 GLN 19 21.475 9.011 -5.189 122 HG2 GLN 19 HG2 GLN 19 21.331 8.106 -8.100 123 HG3 GLN 19 HG3 GLN 19 20.877 9.684 -7.482 124 HE21 GLN 19 HE21 GLN 19 22.795 9.291 -9.554 125 HE22 GLN 19 HE22 GLN 19 24.313 9.921 -8.932 126 H GLU 20 H GLU 20 23.022 8.139 -3.528 127 HA GLU 20 HA GLU 20 23.137 5.673 -2.010 128 HB2 GLU 20 HB2 GLU 20 24.127 8.460 -1.409 129 HB3 GLU 20 HB3 GLU 20 24.534 7.006 -0.493 130 HG2 GLU 20 HG2 GLU 20 25.870 6.110 -2.194 131 HG3 GLU 20 HG3 GLU 20 25.136 7.090 -3.463 132 H LYS 21 H LYS 21 21.749 4.964 -0.562 133 HA LYS 21 HA LYS 21 20.548 6.754 1.452 134 HB2 LYS 21 HB2 LYS 21 18.961 6.723 -0.533 135 HB3 LYS 21 HB3 LYS 21 18.796 4.979 -0.319 136 HG2 LYS 21 HG2 LYS 21 17.870 5.394 1.985 137 HG3 LYS 21 HG3 LYS 21 18.032 7.142 1.703 138 HD2 LYS 21 HD2 LYS 21 16.523 6.905 -0.301 139 HD3 LYS 21 HD3 LYS 21 16.326 5.185 0.096 140 HE2 LYS 21 HE2 LYS 21 15.431 5.885 2.357 141 HE3 LYS 21 HE3 LYS 21 15.524 7.570 1.823 142 HZ1 LYS 21 HZ1 LYS 21 13.310 6.691 1.464 143 HZ2 LYS 21 HZ2 LYS 21 13.867 5.436 0.574 144 HZ3 LYS 21 HZ3 LYS 21 13.985 6.960 -0.011 145 H LYS 22 H LYS 22 20.414 5.710 3.405 146 HA LYS 22 HA LYS 22 21.213 2.841 3.541 147 HB2 LYS 22 HB2 LYS 22 20.689 4.722 5.854 148 HB3 LYS 22 HB3 LYS 22 21.527 3.185 5.905 149 HG2 LYS 22 HG2 LYS 22 22.550 5.753 4.613 150 HG3 LYS 22 HG3 LYS 22 23.026 5.075 6.154 151 HD2 LYS 22 HD2 LYS 22 24.772 4.547 4.763 152 HD3 LYS 22 HD3 LYS 22 23.894 3.022 4.881 153 HE2 LYS 22 HE2 LYS 22 23.073 3.217 2.645 154 HE3 LYS 22 HE3 LYS 22 23.378 4.958 2.603 155 HZ1 LYS 22 HZ1 LYS 22 25.047 3.770 1.329 156 HZ2 LYS 22 HZ2 LYS 22 25.483 2.873 2.622 157 HZ3 LYS 22 HZ3 LYS 22 25.768 4.488 2.615 158 HA PRO 23 HA PRO 23 17.044 1.477 3.992 159 HB2 PRO 23 HB2 PRO 23 17.275 -0.859 5.415 160 HB3 PRO 23 HB3 PRO 23 17.837 -0.672 3.723 161 HG2 PRO 23 HG2 PRO 23 19.488 -0.407 6.262 162 HG3 PRO 23 HG3 PRO 23 19.846 -1.402 4.812 163 HD2 PRO 23 HD2 PRO 23 20.946 1.045 5.113 164 HD3 PRO 23 HD3 PRO 23 20.354 0.517 3.509 165 H LEU 24 H LEU 24 15.268 1.561 5.353 166 HA LEU 24 HA LEU 24 15.703 2.444 8.170 167 HB2 LEU 24 HB2 LEU 24 14.668 4.004 6.561 168 HB3 LEU 24 HB3 LEU 24 13.354 2.874 6.292 169 HG LEU 24 HG LEU 24 12.884 4.861 7.736 170 HD11 LEU 24 HD11 LEU 24 12.383 2.246 9.192 171 HD12 LEU 24 HD12 LEU 24 11.448 2.856 7.805 172 HD13 LEU 24 HD13 LEU 24 11.476 3.760 9.328 173 HD21 LEU 24 HD21 LEU 24 15.027 4.849 9.025 174 HD22 LEU 24 HD22 LEU 24 14.435 3.427 9.917 175 HD23 LEU 24 HD23 LEU 24 13.572 4.968 10.028 176 H LYS 25 H LYS 25 15.262 1.053 9.744 177 HA LYS 25 HA LYS 25 14.225 -1.562 9.101 178 HB2 LYS 25 HB2 LYS 25 15.215 -0.378 11.701 179 HB3 LYS 25 HB3 LYS 25 14.733 -2.068 11.475 180 HG2 LYS 25 HG2 LYS 25 16.438 -2.361 9.723 181 HG3 LYS 25 HG3 LYS 25 16.975 -0.683 9.937 182 HD2 LYS 25 HD2 LYS 25 17.653 -1.147 12.257 183 HD3 LYS 25 HD3 LYS 25 16.948 -2.759 12.167 184 HE2 LYS 25 HE2 LYS 25 19.203 -3.199 11.838 185 HE3 LYS 25 HE3 LYS 25 18.553 -3.211 10.194 186 HZ1 LYS 25 HZ1 LYS 25 20.537 -1.929 10.208 187 HZ2 LYS 25 HZ2 LYS 25 20.077 -1.057 11.537 188 HZ3 LYS 25 HZ3 LYS 25 19.342 -0.819 10.080 189 HA PRO 26 HA PRO 26 9.945 -1.029 10.504 190 HB2 PRO 26 HB2 PRO 26 10.069 -4.048 10.588 191 HB3 PRO 26 HB3 PRO 26 8.818 -2.983 9.882 192 HG2 PRO 26 HG2 PRO 26 10.637 -4.218 8.313 193 HG3 PRO 26 HG3 PRO 26 10.243 -2.497 8.009 194 HD2 PRO 26 HD2 PRO 26 12.577 -3.633 9.581 195 HD3 PRO 26 HD3 PRO 26 12.578 -2.400 8.287 196 H CYS 27 H CYS 27 11.815 -0.685 12.666 197 HA CYS 27 HA CYS 27 11.127 -2.553 14.809 198 HB2 CYS 27 HB2 CYS 27 12.658 0.077 14.896 199 HB3 CYS 27 HB3 CYS 27 12.612 -1.166 16.157 200 HG CYS 27 HG CYS 27 13.531 -3.134 14.594 201 H CYS 28 H CYS 28 9.841 0.561 13.759 202 HA CYS 28 HA CYS 28 8.146 0.717 16.239 203 HB2 CYS 28 HB2 CYS 28 9.288 2.930 14.498 204 HB3 CYS 28 HB3 CYS 28 8.219 3.154 15.893 205 HG CYS 28 HG CYS 28 10.744 3.785 16.438 206 H ALA 29 H ALA 29 8.123 0.917 12.701 207 HA ALA 29 HA ALA 29 5.145 0.759 12.688 208 HB1 ALA 29 HB1 ALA 29 5.097 2.402 10.847 209 HB2 ALA 29 HB2 ALA 29 5.835 3.119 12.286 210 HB3 ALA 29 HB3 ALA 29 6.864 2.585 10.940 211 H SER 30 H SER 30 4.660 0.401 10.029 212 HA SER 30 HA SER 30 6.415 -1.889 9.193 213 HB2 SER 30 HB2 SER 30 3.516 -1.514 8.466 214 HB3 SER 30 HB3 SER 30 4.526 -2.940 8.206 215 HG SER 30 HG SER 30 4.439 -3.386 10.385 216 HA PRO 31 HA PRO 31 6.767 1.558 5.982 217 HB2 PRO 31 HB2 PRO 31 9.454 1.267 5.460 218 HB3 PRO 31 HB3 PRO 31 8.800 2.272 6.791 219 HG2 PRO 31 HG2 PRO 31 9.755 -0.602 6.930 220 HG3 PRO 31 HG3 PRO 31 10.252 0.759 7.986 221 HD2 PRO 31 HD2 PRO 31 8.346 -0.945 8.789 222 HD3 PRO 31 HD3 PRO 31 8.115 0.808 9.051 223 H GLU 32 H GLU 32 7.563 -1.868 6.019 224 HA GLU 32 HA GLU 32 8.001 -2.342 3.258 225 HB2 GLU 32 HB2 GLU 32 6.588 -4.027 5.365 226 HB3 GLU 32 HB3 GLU 32 7.022 -4.599 3.759 227 HG2 GLU 32 HG2 GLU 32 9.411 -4.160 4.212 228 HG3 GLU 32 HG3 GLU 32 9.009 -3.639 5.854 229 H THR 33 H THR 33 4.971 -1.301 4.825 230 HA THR 33 HA THR 33 3.288 -2.535 2.748 231 HB THR 33 HB THR 33 1.417 -1.373 3.791 232 HG1 THR 33 HG1 THR 33 2.273 -0.396 5.982 233 HG21 THR 33 HG21 THR 33 3.141 -2.656 5.947 234 HG22 THR 33 HG22 THR 33 2.144 -3.536 4.765 235 HG23 THR 33 HG23 THR 33 1.369 -2.476 5.943 236 H LYS 34 H LYS 34 4.486 0.704 3.627 237 HA LYS 34 HA LYS 34 3.322 1.977 1.301 238 HB2 LYS 34 HB2 LYS 34 4.482 3.893 1.879 239 HB3 LYS 34 HB3 LYS 34 3.836 3.215 3.354 240 HG2 LYS 34 HG2 LYS 34 6.024 2.531 4.088 241 HG3 LYS 34 HG3 LYS 34 6.739 2.929 2.510 242 HD2 LYS 34 HD2 LYS 34 6.049 5.326 2.885 243 HD3 LYS 34 HD3 LYS 34 5.589 4.888 4.542 244 HE2 LYS 34 HE2 LYS 34 7.897 4.207 5.036 245 HE3 LYS 34 HE3 LYS 34 8.334 4.372 3.325 246 HZ1 LYS 34 HZ1 LYS 34 7.685 6.570 5.191 247 HZ2 LYS 34 HZ2 LYS 34 7.766 6.783 3.565 248 HZ3 LYS 34 HZ3 LYS 34 9.092 6.278 4.423 249 H LYS 35 H LYS 35 6.557 0.545 1.868 250 HA LYS 35 HA LYS 35 7.545 1.097 -0.798 251 HB2 LYS 35 HB2 LYS 35 8.259 -0.866 1.390 252 HB3 LYS 35 HB3 LYS 35 8.823 -1.186 -0.239 253 HG2 LYS 35 HG2 LYS 35 10.571 -0.039 0.778 254 HG3 LYS 35 HG3 LYS 35 9.840 1.106 -0.336 255 HD2 LYS 35 HD2 LYS 35 8.750 2.288 1.550 256 HD3 LYS 35 HD3 LYS 35 9.305 1.030 2.670 257 HE2 LYS 35 HE2 LYS 35 10.891 2.734 2.988 258 HE3 LYS 35 HE3 LYS 35 11.689 1.574 1.926 259 HZ1 LYS 35 HZ1 LYS 35 10.767 3.130 0.063 260 HZ2 LYS 35 HZ2 LYS 35 12.065 3.653 0.917 261 HZ3 LYS 35 HZ3 LYS 35 10.552 4.217 1.233 262 H ALA 36 H ALA 36 5.594 -1.669 0.413 263 HA ALA 36 HA ALA 36 5.476 -2.980 -2.144 264 HB1 ALA 36 HB1 ALA 36 5.096 -4.168 -0.041 265 HB2 ALA 36 HB2 ALA 36 3.658 -3.175 0.295 266 HB3 ALA 36 HB3 ALA 36 3.669 -4.298 -1.080 267 H ARG 37 H ARG 37 3.452 -0.417 -0.685 268 HA ARG 37 HA ARG 37 1.449 -0.448 -2.736 269 HB2 ARG 37 HB2 ARG 37 1.234 0.655 -0.451 270 HB3 ARG 37 HB3 ARG 37 2.211 1.987 -1.092 271 HG2 ARG 37 HG2 ARG 37 0.524 2.216 -2.980 272 HG3 ARG 37 HG3 ARG 37 -0.429 0.932 -2.228 273 HD2 ARG 37 HD2 ARG 37 -1.424 2.997 -1.634 274 HD3 ARG 37 HD3 ARG 37 -0.623 2.385 -0.180 275 HE ARG 37 HE ARG 37 1.325 3.941 -1.133 276 HH11 ARG 37 HH11 ARG 37 -2.152 4.715 -0.904 277 HH12 ARG 37 HH12 ARG 37 -1.862 6.435 -0.784 278 HH21 ARG 37 HH21 ARG 37 1.645 6.172 -0.990 279 HH22 ARG 37 HH22 ARG 37 0.282 7.257 -0.833 280 H ASP 38 H ASP 38 4.383 1.613 -2.330 281 HA ASP 38 HA ASP 38 4.310 3.028 -4.768 282 HB2 ASP 38 HB2 ASP 38 6.665 1.877 -3.199 283 HB3 ASP 38 HB3 ASP 38 6.850 2.914 -4.606 284 H ALA 39 H ALA 39 5.746 -0.218 -4.106 285 HA ALA 39 HA ALA 39 6.568 -0.750 -6.762 286 HB1 ALA 39 HB1 ALA 39 7.348 -1.987 -4.778 287 HB2 ALA 39 HB2 ALA 39 5.728 -2.686 -4.555 288 HB3 ALA 39 HB3 ALA 39 6.679 -3.085 -5.999 289 H CYS 40 H CYS 40 3.426 -1.595 -5.163 290 HA CYS 40 HA CYS 40 2.400 -2.923 -7.502 291 HB2 CYS 40 HB2 CYS 40 1.626 -3.199 -5.126 292 HB3 CYS 40 HB3 CYS 40 0.807 -1.641 -5.244 293 H ILE 41 H ILE 41 2.018 0.477 -6.346 294 HA ILE 41 HA ILE 41 0.359 1.299 -8.554 295 HB ILE 41 HB ILE 41 1.908 2.689 -6.396 296 HG12 ILE 41 HG12 ILE 41 -0.240 3.757 -5.956 297 HG13 ILE 41 HG13 ILE 41 -0.923 3.126 -7.453 298 HG21 ILE 41 HG21 ILE 41 2.528 4.094 -8.295 299 HG22 ILE 41 HG22 ILE 41 0.828 4.156 -8.834 300 HG23 ILE 41 HG23 ILE 41 1.326 4.912 -7.308 301 HD11 ILE 41 HD11 ILE 41 -0.933 0.862 -6.559 302 HD12 ILE 41 HD12 ILE 41 -0.110 1.406 -5.079 303 HD13 ILE 41 HD13 ILE 41 -1.752 1.961 -5.440 304 H ILE 42 H ILE 42 3.948 1.117 -8.223 305 HA ILE 42 HA ILE 42 4.379 2.283 -10.862 306 HB ILE 42 HB ILE 42 6.101 0.597 -9.029 307 HG12 ILE 42 HG12 ILE 42 6.420 3.481 -9.993 308 HG13 ILE 42 HG13 ILE 42 5.513 3.070 -8.548 309 HG21 ILE 42 HG21 ILE 42 6.836 0.030 -11.311 310 HG22 ILE 42 HG22 ILE 42 6.885 1.754 -11.749 311 HG23 ILE 42 HG23 ILE 42 8.019 1.081 -10.559 312 HD11 ILE 42 HD11 ILE 42 8.488 2.598 -8.974 313 HD12 ILE 42 HD12 ILE 42 7.711 3.745 -7.875 314 HD13 ILE 42 HD13 ILE 42 7.562 2.003 -7.574 315 H GLU 43 H GLU 43 4.178 -1.149 -9.786 316 HA GLU 43 HA GLU 43 4.634 -2.151 -12.455 317 HB2 GLU 43 HB2 GLU 43 3.712 -3.475 -9.886 318 HB3 GLU 43 HB3 GLU 43 4.088 -4.354 -11.372 319 HG2 GLU 43 HG2 GLU 43 6.320 -2.625 -10.810 320 HG3 GLU 43 HG3 GLU 43 5.879 -3.438 -9.310 321 H LYS 44 H LYS 44 1.642 -1.505 -10.686 322 HA LYS 44 HA LYS 44 0.040 -2.555 -13.003 323 HB2 LYS 44 HB2 LYS 44 -0.885 -2.674 -10.126 324 HB3 LYS 44 HB3 LYS 44 -1.512 -3.485 -11.563 325 HG2 LYS 44 HG2 LYS 44 0.637 -4.841 -11.603 326 HG3 LYS 44 HG3 LYS 44 0.972 -4.199 -9.982 327 HD2 LYS 44 HD2 LYS 44 -1.156 -5.120 -9.151 328 HD3 LYS 44 HD3 LYS 44 -1.614 -5.603 -10.793 329 HE2 LYS 44 HE2 LYS 44 0.540 -7.035 -10.794 330 HE3 LYS 44 HE3 LYS 44 0.565 -6.766 -9.041 331 HZ1 LYS 44 HZ1 LYS 44 -1.764 -7.638 -9.049 332 HZ2 LYS 44 HZ2 LYS 44 -0.632 -8.761 -9.445 333 HZ3 LYS 44 HZ3 LYS 44 -1.567 -8.068 -10.637 334 H GLY 45 H GLY 45 0.201 -0.037 -10.512 335 HA2 GLY 45 HA2 GLY 45 -0.755 2.136 -10.712 336 HA3 GLY 45 HA3 GLY 45 -1.810 1.568 -11.997 337 H GLU 46 H GLU 46 -2.973 3.148 -10.236 338 HA GLU 46 HA GLU 46 -3.643 2.130 -7.672 339 HB2 GLU 46 HB2 GLU 46 -5.133 4.175 -9.356 340 HB3 GLU 46 HB3 GLU 46 -5.322 3.945 -7.616 341 HG2 GLU 46 HG2 GLU 46 -2.978 4.617 -7.240 342 HG3 GLU 46 HG3 GLU 46 -2.753 4.860 -8.979 343 H GLU 47 H GLU 47 -5.279 1.651 -10.751 344 HA GLU 47 HA GLU 47 -7.775 0.665 -9.618 345 HB2 GLU 47 HB2 GLU 47 -8.393 0.230 -11.942 346 HB3 GLU 47 HB3 GLU 47 -7.831 1.877 -11.681 347 HG2 GLU 47 HG2 GLU 47 -5.668 1.374 -12.707 348 HG3 GLU 47 HG3 GLU 47 -6.087 -0.332 -12.850 349 H HIS 48 H HIS 48 -4.817 -0.844 -9.720 350 HA HIS 48 HA HIS 48 -6.072 -3.572 -9.738 351 HB2 HIS 48 HB2 HIS 48 -3.354 -2.724 -10.721 352 HB3 HIS 48 HB3 HIS 48 -3.946 -4.390 -10.696 353 HD1 HIS 48 HD1 HIS 48 -6.890 -3.095 -12.032 354 HD2 HIS 48 HD2 HIS 48 -2.915 -3.145 -13.391 355 HE1 HIS 48 HE1 HIS 48 -6.990 -2.729 -14.558 356 H CYS 49 H CYS 49 -5.030 -1.433 -7.606 357 HA CYS 49 HA CYS 49 -3.538 -3.392 -5.901 358 HB2 CYS 49 HB2 CYS 49 -3.000 -0.443 -6.331 359 HB3 CYS 49 HB3 CYS 49 -2.168 -1.454 -5.147 360 H GLY 50 H GLY 50 -6.473 -2.602 -5.880 361 HA2 GLY 50 HA2 GLY 50 -7.110 -0.661 -3.967 362 HA3 GLY 50 HA3 GLY 50 -8.117 -2.048 -4.395 363 H HIS 51 H HIS 51 -6.575 -4.176 -3.374 364 HA HIS 51 HA HIS 51 -7.187 -3.990 -0.557 365 HB2 HIS 51 HB2 HIS 51 -7.332 -6.014 -2.138 366 HB3 HIS 51 HB3 HIS 51 -5.598 -6.200 -1.885 367 HD1 HIS 51 HD1 HIS 51 -5.578 -5.678 1.307 368 HD2 HIS 51 HD2 HIS 51 -8.280 -8.056 -0.862 369 HE1 HIS 51 HE1 HIS 51 -6.516 -7.398 2.957 370 H LEU 52 H LEU 52 -4.161 -3.620 -2.407 371 HA LEU 52 HA LEU 52 -2.443 -3.548 -0.082 372 HB2 LEU 52 HB2 LEU 52 -1.992 -3.910 -2.718 373 HB3 LEU 52 HB3 LEU 52 -1.760 -2.178 -2.685 374 HG LEU 52 HG LEU 52 0.368 -3.217 -2.505 375 HD11 LEU 52 HD11 LEU 52 1.289 -2.383 -0.455 376 HD12 LEU 52 HD12 LEU 52 -0.271 -2.469 0.367 377 HD13 LEU 52 HD13 LEU 52 -0.025 -1.288 -0.934 378 HD21 LEU 52 HD21 LEU 52 0.995 -4.851 -0.807 379 HD22 LEU 52 HD22 LEU 52 -0.371 -5.451 -1.761 380 HD23 LEU 52 HD23 LEU 52 -0.637 -4.831 -0.120 381 H ILE 53 H ILE 53 -4.062 -1.033 -2.053 382 HA ILE 53 HA ILE 53 -3.183 1.290 -0.640 383 HB ILE 53 HB ILE 53 -5.707 0.637 -2.167 384 HG12 ILE 53 HG12 ILE 53 -3.410 2.507 -2.916 385 HG13 ILE 53 HG13 ILE 53 -3.355 0.787 -3.285 386 HG21 ILE 53 HG21 ILE 53 -6.211 3.050 -2.238 387 HG22 ILE 53 HG22 ILE 53 -6.286 2.462 -0.590 388 HG23 ILE 53 HG23 ILE 53 -4.871 3.391 -1.146 389 HD11 ILE 53 HD11 ILE 53 -4.165 1.915 -5.229 390 HD12 ILE 53 HD12 ILE 53 -5.508 0.990 -4.524 391 HD13 ILE 53 HD13 ILE 53 -5.423 2.756 -4.306 392 H GLU 54 H GLU 54 -5.953 -0.876 -0.080 393 HA GLU 54 HA GLU 54 -6.953 0.297 2.315 394 HB2 GLU 54 HB2 GLU 54 -8.100 -1.317 0.819 395 HB3 GLU 54 HB3 GLU 54 -7.091 -2.613 1.451 396 HG2 GLU 54 HG2 GLU 54 -8.038 -2.411 3.647 397 HG3 GLU 54 HG3 GLU 54 -8.818 -0.872 3.247 398 H ALA 55 H ALA 55 -4.544 -2.343 1.883 399 HA ALA 55 HA ALA 55 -4.061 -2.825 4.663 400 HB1 ALA 55 HB1 ALA 55 -2.248 -3.184 2.237 401 HB2 ALA 55 HB2 ALA 55 -1.956 -3.856 3.847 402 HB3 ALA 55 HB3 ALA 55 -3.367 -4.393 2.904 403 H HIS 56 H HIS 56 -2.525 -0.487 2.416 404 HA HIS 56 HA HIS 56 -0.584 0.472 4.311 405 HB2 HIS 56 HB2 HIS 56 -0.230 0.708 1.960 406 HB3 HIS 56 HB3 HIS 56 -1.753 1.566 1.744 407 HD1 HIS 56 HD1 HIS 56 -1.520 4.117 1.635 408 HD2 HIS 56 HD2 HIS 56 1.601 2.203 3.712 409 HE1 HIS 56 HE1 HIS 56 0.225 5.917 2.130 410 H LYS 57 H LYS 57 -3.849 1.817 3.394 411 HA LYS 57 HA LYS 57 -3.601 4.004 5.273 412 HB2 LYS 57 HB2 LYS 57 -5.907 4.466 4.900 413 HB3 LYS 57 HB3 LYS 57 -5.143 4.011 3.375 414 HG2 LYS 57 HG2 LYS 57 -6.066 1.720 3.633 415 HG3 LYS 57 HG3 LYS 57 -6.998 2.262 5.034 416 HD2 LYS 57 HD2 LYS 57 -7.221 3.274 2.162 417 HD3 LYS 57 HD3 LYS 57 -8.351 2.190 2.984 418 HE2 LYS 57 HE2 LYS 57 -8.839 3.995 4.648 419 HE3 LYS 57 HE3 LYS 57 -7.790 5.095 3.729 420 HZ1 LYS 57 HZ1 LYS 57 -10.246 3.774 2.726 421 HZ2 LYS 57 HZ2 LYS 57 -9.299 4.747 1.815 422 HZ3 LYS 57 HZ3 LYS 57 -10.116 5.347 3.139 423 H GLU 58 H GLU 58 -4.929 0.738 5.673 424 HA GLU 58 HA GLU 58 -5.572 1.013 8.478 425 HB2 GLU 58 HB2 GLU 58 -4.845 -1.384 6.751 426 HB3 GLU 58 HB3 GLU 58 -5.364 -1.507 8.436 427 HG2 GLU 58 HG2 GLU 58 -7.499 -0.511 7.963 428 HG3 GLU 58 HG3 GLU 58 -7.045 -0.109 6.324 429 H SER 59 H SER 59 -2.501 0.195 6.843 430 HA SER 59 HA SER 59 -1.009 -0.551 9.157 431 HB2 SER 59 HB2 SER 59 -0.326 -1.014 6.813 432 HB3 SER 59 HB3 SER 59 -0.025 0.721 6.578 433 HG SER 59 HG SER 59 1.233 -0.875 8.575 434 H MET 60 H MET 60 -1.412 2.683 7.619 435 HA MET 60 HA MET 60 0.074 3.859 9.889 436 HB2 MET 60 HB2 MET 60 -1.136 5.084 7.419 437 HB3 MET 60 HB3 MET 60 -0.550 6.045 8.795 438 HG2 MET 60 HG2 MET 60 1.248 5.932 7.286 439 HG3 MET 60 HG3 MET 60 1.638 4.956 8.685 440 HE1 MET 60 HE1 MET 60 3.668 3.817 7.476 441 HE2 MET 60 HE2 MET 60 3.587 3.090 5.856 442 HE3 MET 60 HE3 MET 60 3.369 4.847 6.052 443 H ARG 61 H ARG 61 -3.471 3.569 9.153 444 HA ARG 61 HA ARG 61 -4.360 5.024 11.380 445 HB2 ARG 61 HB2 ARG 61 -5.768 3.850 9.670 446 HB3 ARG 61 HB3 ARG 61 -5.379 2.314 10.450 447 HG2 ARG 61 HG2 ARG 61 -6.442 3.234 12.584 448 HG3 ARG 61 HG3 ARG 61 -6.906 4.667 11.657 449 HD2 ARG 61 HD2 ARG 61 -8.790 3.163 11.780 450 HD3 ARG 61 HD3 ARG 61 -8.203 3.173 10.112 451 HE ARG 61 HE ARG 61 -7.107 1.071 11.850 452 HH11 ARG 61 HH11 ARG 61 -9.646 1.851 9.470 453 HH12 ARG 61 HH12 ARG 61 -9.952 0.169 9.097 454 HH21 ARG 61 HH21 ARG 61 -7.530 -1.080 11.338 455 HH22 ARG 61 HH22 ARG 61 -8.750 -1.492 10.153 456 H ALA 62 H ALA 62 -2.939 1.712 11.388 457 HA ALA 62 HA ALA 62 -3.238 1.192 14.155 458 HB1 ALA 62 HB1 ALA 62 -0.965 0.372 12.299 459 HB2 ALA 62 HB2 ALA 62 -1.379 -0.387 13.844 460 HB3 ALA 62 HB3 ALA 62 -2.521 -0.469 12.492 461 H LEU 63 H LEU 63 -0.992 3.481 12.638 462 HA LEU 63 HA LEU 63 0.533 3.841 15.165 463 HB2 LEU 63 HB2 LEU 63 0.782 4.932 12.351 464 HB3 LEU 63 HB3 LEU 63 1.564 5.737 13.686 465 HG LEU 63 HG LEU 63 3.078 4.288 12.470 466 HD11 LEU 63 HD11 LEU 63 4.153 3.219 14.346 467 HD12 LEU 63 HD12 LEU 63 2.659 3.246 15.298 468 HD13 LEU 63 HD13 LEU 63 3.473 4.770 14.875 469 HD21 LEU 63 HD21 LEU 63 1.420 2.517 11.898 470 HD22 LEU 63 HD22 LEU 63 1.533 1.914 13.560 471 HD23 LEU 63 HD23 LEU 63 2.965 1.892 12.514 472 H GLY 64 H GLY 64 -2.435 4.863 14.037 473 HA2 GLY 64 HA2 GLY 64 -3.925 6.370 14.834 474 HA3 GLY 64 HA3 GLY 64 -2.758 6.860 16.078 475 H PHE 65 H PHE 65 -1.673 7.130 12.773 476 HA PHE 65 HA PHE 65 -2.439 10.006 12.653 477 HB2 PHE 65 HB2 PHE 65 -0.207 10.610 11.829 478 HB3 PHE 65 HB3 PHE 65 -0.316 10.106 13.492 479 HD1 PHE 65 HD1 PHE 65 0.215 7.979 10.337 480 HD2 PHE 65 HD2 PHE 65 1.775 9.407 14.113 481 HE1 PHE 65 HE1 PHE 65 2.269 6.670 10.000 482 HE2 PHE 65 HE2 PHE 65 3.828 8.076 13.754 483 HZ PHE 65 HZ PHE 65 4.085 6.707 11.693 484 H LYS 66 H LYS 66 -3.723 7.858 11.381 485 HA LYS 66 HA LYS 66 -4.009 9.134 8.790 486 HB2 LYS 66 HB2 LYS 66 -2.174 7.461 8.374 487 HB3 LYS 66 HB3 LYS 66 -3.277 6.180 8.856 488 HG2 LYS 66 HG2 LYS 66 -3.268 6.128 6.504 489 HG3 LYS 66 HG3 LYS 66 -4.762 6.971 6.885 490 HD2 LYS 66 HD2 LYS 66 -3.428 9.165 6.545 491 HD3 LYS 66 HD3 LYS 66 -2.116 8.159 5.932 492 HE2 LYS 66 HE2 LYS 66 -3.622 7.248 4.177 493 HE3 LYS 66 HE3 LYS 66 -4.960 8.223 4.819 494 HZ1 LYS 66 HZ1 LYS 66 -3.907 9.297 2.916 495 HZ2 LYS 66 HZ2 LYS 66 -2.449 9.355 3.699 496 HZ3 LYS 66 HZ3 LYS 66 -3.733 10.205 4.272 497 H ILE 67 H ILE 67 -5.989 8.845 7.948 498 HA ILE 67 HA ILE 67 -8.258 8.939 8.220 499 HB ILE 67 HB ILE 67 -9.326 6.736 7.864 500 HG12 ILE 67 HG12 ILE 67 -6.508 5.583 8.041 501 HG13 ILE 67 HG13 ILE 67 -7.755 5.392 9.279 502 HG21 ILE 67 HG21 ILE 67 -8.333 6.449 5.657 503 HG22 ILE 67 HG22 ILE 67 -8.423 8.161 6.061 504 HG23 ILE 67 HG23 ILE 67 -6.872 7.316 6.158 505 HD11 ILE 67 HD11 ILE 67 -9.211 4.247 7.583 506 HD12 ILE 67 HD12 ILE 67 -7.853 4.333 6.436 507 HD13 ILE 67 HD13 ILE 67 -7.687 3.397 7.921 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -36.001 -21.928 -4.894 2 H2 GLY 1 H2 GLY 1 -34.690 -21.584 -3.953 3 H3 GLY 1 H3 GLY 1 -36.188 -21.147 -3.460 4 HA2 GLY 1 HA2 GLY 1 -36.872 -23.455 -3.282 5 HA3 GLY 1 HA3 GLY 1 -35.231 -23.913 -3.784 6 H SER 2 H SER 2 -34.110 -24.631 -2.083 7 HA SER 2 HA SER 2 -34.582 -23.946 0.650 8 HB2 SER 2 HB2 SER 2 -32.262 -25.019 0.970 9 HB3 SER 2 HB3 SER 2 -33.590 -26.004 0.348 10 HG SER 2 HG SER 2 -32.509 -26.383 -1.315 11 H PHE 3 H PHE 3 -33.571 -22.650 2.090 12 HA PHE 3 HA PHE 3 -31.400 -20.830 1.415 13 HB2 PHE 3 HB2 PHE 3 -33.360 -19.763 0.291 14 HB3 PHE 3 HB3 PHE 3 -34.225 -19.763 1.818 15 HD1 PHE 3 HD1 PHE 3 -31.489 -18.217 -0.135 16 HD2 PHE 3 HD2 PHE 3 -33.704 -18.112 3.565 17 HE1 PHE 3 HE1 PHE 3 -30.598 -15.947 0.337 18 HE2 PHE 3 HE2 PHE 3 -32.806 -15.849 4.034 19 HZ PHE 3 HZ PHE 3 -31.265 -14.753 2.411 20 H THR 4 H THR 4 -30.446 -19.987 3.224 21 HA THR 4 HA THR 4 -31.910 -19.986 5.813 22 HB THR 4 HB THR 4 -30.006 -20.658 7.075 23 HG1 THR 4 HG1 THR 4 -28.163 -21.493 5.828 24 HG21 THR 4 HG21 THR 4 -31.356 -22.540 6.045 25 HG22 THR 4 HG22 THR 4 -29.695 -22.963 6.481 26 HG23 THR 4 HG23 THR 4 -30.115 -22.661 4.781 27 H MET 5 H MET 5 -31.123 -18.238 7.292 28 HA MET 5 HA MET 5 -30.855 -15.836 5.822 29 HB2 MET 5 HB2 MET 5 -30.372 -16.365 8.769 30 HB3 MET 5 HB3 MET 5 -30.419 -14.754 8.046 31 HG2 MET 5 HG2 MET 5 -32.711 -16.750 8.023 32 HG3 MET 5 HG3 MET 5 -32.550 -15.362 9.094 33 HE1 MET 5 HE1 MET 5 -34.863 -14.422 8.588 34 HE2 MET 5 HE2 MET 5 -35.561 -14.248 6.968 35 HE3 MET 5 HE3 MET 5 -35.172 -15.865 7.597 36 HA PRO 6 HA PRO 6 -26.385 -15.536 5.373 37 HB2 PRO 6 HB2 PRO 6 -26.719 -12.587 5.082 38 HB3 PRO 6 HB3 PRO 6 -25.981 -13.765 3.958 39 HG2 PRO 6 HG2 PRO 6 -28.432 -12.665 3.458 40 HG3 PRO 6 HG3 PRO 6 -28.085 -14.382 3.074 41 HD2 PRO 6 HD2 PRO 6 -29.493 -13.262 5.519 42 HD3 PRO 6 HD3 PRO 6 -29.969 -14.615 4.446 43 H GLY 7 H GLY 7 -24.641 -15.165 6.747 44 HA2 GLY 7 HA2 GLY 7 -23.399 -14.391 8.529 45 HA3 GLY 7 HA3 GLY 7 -24.457 -12.980 8.571 46 H LEU 8 H LEU 8 -25.554 -16.224 9.030 47 HA LEU 8 HA LEU 8 -27.109 -15.559 11.312 48 HB2 LEU 8 HB2 LEU 8 -28.174 -17.608 11.048 49 HB3 LEU 8 HB3 LEU 8 -27.897 -16.905 9.472 50 HG LEU 8 HG LEU 8 -26.417 -19.229 10.727 51 HD11 LEU 8 HD11 LEU 8 -28.687 -19.747 9.932 52 HD12 LEU 8 HD12 LEU 8 -27.469 -20.541 8.916 53 HD13 LEU 8 HD13 LEU 8 -28.288 -19.083 8.335 54 HD21 LEU 8 HD21 LEU 8 -24.766 -18.151 9.339 55 HD22 LEU 8 HD22 LEU 8 -25.932 -17.957 8.007 56 HD23 LEU 8 HD23 LEU 8 -25.358 -19.567 8.479 57 H VAL 9 H VAL 9 -24.763 -15.034 12.247 58 HA VAL 9 HA VAL 9 -24.675 -16.711 14.690 59 HB VAL 9 HB VAL 9 -22.162 -16.191 14.806 60 HG11 VAL 9 HG11 VAL 9 -21.598 -18.288 13.712 61 HG12 VAL 9 HG12 VAL 9 -23.141 -18.450 14.563 62 HG13 VAL 9 HG13 VAL 9 -23.115 -18.258 12.794 63 HG21 VAL 9 HG21 VAL 9 -20.917 -16.165 12.691 64 HG22 VAL 9 HG22 VAL 9 -22.412 -16.117 11.757 65 HG23 VAL 9 HG23 VAL 9 -21.950 -14.733 12.766 66 H ASP 10 H ASP 10 -25.804 -15.302 15.905 67 HA ASP 10 HA ASP 10 -25.447 -12.419 15.620 68 HB2 ASP 10 HB2 ASP 10 -27.663 -13.311 15.945 69 HB3 ASP 10 HB3 ASP 10 -27.196 -14.040 17.484 70 H SER 11 H SER 11 -23.410 -11.960 16.177 71 HA SER 11 HA SER 11 -23.256 -11.066 18.903 72 HB2 SER 11 HB2 SER 11 -20.998 -11.745 19.394 73 HB3 SER 11 HB3 SER 11 -21.963 -13.202 19.098 74 HG SER 11 HG SER 11 -19.737 -12.756 18.057 75 H ASN 12 H ASN 12 -21.895 -9.190 19.056 76 HA ASN 12 HA ASN 12 -21.299 -7.965 16.412 77 HB2 ASN 12 HB2 ASN 12 -21.685 -6.706 19.142 78 HB3 ASN 12 HB3 ASN 12 -21.233 -5.845 17.674 79 HD21 ASN 12 HD21 ASN 12 -23.166 -4.583 18.251 80 HD22 ASN 12 HD22 ASN 12 -24.756 -5.197 17.789 81 HA PRO 13 HA PRO 13 -16.932 -8.397 17.424 82 HB2 PRO 13 HB2 PRO 13 -15.796 -6.928 15.453 83 HB3 PRO 13 HB3 PRO 13 -16.678 -8.443 15.093 84 HG2 PRO 13 HG2 PRO 13 -17.725 -5.596 14.914 85 HG3 PRO 13 HG3 PRO 13 -17.835 -6.895 13.682 86 HD2 PRO 13 HD2 PRO 13 -19.867 -6.342 15.447 87 HD3 PRO 13 HD3 PRO 13 -19.536 -7.999 14.861 88 H ALA 14 H ALA 14 -15.223 -7.179 18.376 89 HA ALA 14 HA ALA 14 -15.639 -4.243 18.734 90 HB1 ALA 14 HB1 ALA 14 -14.037 -4.393 20.583 91 HB2 ALA 14 HB2 ALA 14 -15.453 -5.422 20.851 92 HB3 ALA 14 HB3 ALA 14 -13.911 -6.148 20.334 93 HA PRO 15 HA PRO 15 -12.568 -3.755 15.586 94 HB2 PRO 15 HB2 PRO 15 -11.721 -1.310 17.152 95 HB3 PRO 15 HB3 PRO 15 -12.004 -1.477 15.390 96 HG2 PRO 15 HG2 PRO 15 -13.899 -0.363 16.968 97 HG3 PRO 15 HG3 PRO 15 -14.376 -1.548 15.707 98 HD2 PRO 15 HD2 PRO 15 -14.005 -2.006 18.678 99 HD3 PRO 15 HD3 PRO 15 -15.312 -2.566 17.589 100 HA PRO 16 HA PRO 16 -8.960 -5.548 17.516 101 HB2 PRO 16 HB2 PRO 16 -7.355 -6.015 15.365 102 HB3 PRO 16 HB3 PRO 16 -8.951 -6.782 15.541 103 HG2 PRO 16 HG2 PRO 16 -8.304 -4.236 14.005 104 HG3 PRO 16 HG3 PRO 16 -9.136 -5.701 13.388 105 HD2 PRO 16 HD2 PRO 16 -10.529 -3.556 14.312 106 HD3 PRO 16 HD3 PRO 16 -11.087 -5.228 14.625 107 H GLU 17 H GLU 17 -9.070 -2.714 17.881 108 HA GLU 17 HA GLU 17 -6.477 -1.557 17.100 109 HB2 GLU 17 HB2 GLU 17 -7.358 0.519 17.756 110 HB3 GLU 17 HB3 GLU 17 -8.647 -0.328 16.906 111 HG2 GLU 17 HG2 GLU 17 -9.552 -1.013 19.190 112 HG3 GLU 17 HG3 GLU 17 -8.332 0.051 19.910 113 H SER 18 H SER 18 -5.182 -0.354 18.676 114 HA SER 18 HA SER 18 -4.266 -1.968 20.882 115 HB2 SER 18 HB2 SER 18 -2.885 -0.385 19.536 116 HB3 SER 18 HB3 SER 18 -3.769 0.966 20.255 117 HG SER 18 HG SER 18 -1.952 0.695 21.418 118 H GLN 19 H GLN 19 -4.891 -1.968 22.993 119 HA GLN 19 HA GLN 19 -7.240 -0.378 23.705 120 HB2 GLN 19 HB2 GLN 19 -5.693 -2.502 25.244 121 HB3 GLN 19 HB3 GLN 19 -7.248 -1.832 25.723 122 HG2 GLN 19 HG2 GLN 19 -6.716 -3.442 23.182 123 HG3 GLN 19 HG3 GLN 19 -7.508 -4.014 24.636 124 HE21 GLN 19 HE21 GLN 19 -8.107 -2.775 21.552 125 HE22 GLN 19 HE22 GLN 19 -9.808 -2.459 21.832 126 H GLU 20 H GLU 20 -3.928 -0.027 24.253 127 HA GLU 20 HA GLU 20 -4.267 2.272 26.045 128 HB2 GLU 20 HB2 GLU 20 -2.732 -0.248 26.814 129 HB3 GLU 20 HB3 GLU 20 -2.352 1.310 27.514 130 HG2 GLU 20 HG2 GLU 20 -5.061 -0.071 27.730 131 HG3 GLU 20 HG3 GLU 20 -3.816 -0.062 28.957 132 H LYS 21 H LYS 21 -2.466 3.666 26.065 133 HA LYS 21 HA LYS 21 -0.865 3.929 23.767 134 HB2 LYS 21 HB2 LYS 21 -1.448 5.692 25.401 135 HB3 LYS 21 HB3 LYS 21 -0.402 4.942 26.598 136 HG2 LYS 21 HG2 LYS 21 1.588 5.465 25.284 137 HG3 LYS 21 HG3 LYS 21 0.584 6.080 23.952 138 HD2 LYS 21 HD2 LYS 21 -0.306 7.862 25.423 139 HD3 LYS 21 HD3 LYS 21 0.586 7.197 26.790 140 HE2 LYS 21 HE2 LYS 21 1.752 9.130 26.020 141 HE3 LYS 21 HE3 LYS 21 2.733 7.707 25.651 142 HZ1 LYS 21 HZ1 LYS 21 2.149 7.878 23.380 143 HZ2 LYS 21 HZ2 LYS 21 2.560 9.389 23.840 144 HZ3 LYS 21 HZ3 LYS 21 0.974 9.015 23.642 145 H LYS 22 H LYS 22 0.904 3.009 23.034 146 HA LYS 22 HA LYS 22 2.617 1.170 24.640 147 HB2 LYS 22 HB2 LYS 22 2.241 1.786 21.698 148 HB3 LYS 22 HB3 LYS 22 3.835 1.322 22.229 149 HG2 LYS 22 HG2 LYS 22 2.859 -0.612 21.441 150 HG3 LYS 22 HG3 LYS 22 2.952 -0.794 23.184 151 HD2 LYS 22 HD2 LYS 22 0.375 0.204 21.950 152 HD3 LYS 22 HD3 LYS 22 0.818 -1.491 21.738 153 HE2 LYS 22 HE2 LYS 22 1.017 -1.776 24.189 154 HE3 LYS 22 HE3 LYS 22 0.511 -0.093 24.423 155 HZ1 LYS 22 HZ1 LYS 22 -1.357 -1.694 24.606 156 HZ2 LYS 22 HZ2 LYS 22 -1.148 -2.146 23.049 157 HZ3 LYS 22 HZ3 LYS 22 -1.580 -0.596 23.403 158 HA PRO 23 HA PRO 23 5.746 4.263 25.448 159 HB2 PRO 23 HB2 PRO 23 8.107 2.900 25.056 160 HB3 PRO 23 HB3 PRO 23 7.045 2.656 26.474 161 HG2 PRO 23 HG2 PRO 23 7.128 1.013 23.925 162 HG3 PRO 23 HG3 PRO 23 7.171 0.435 25.624 163 HD2 PRO 23 HD2 PRO 23 4.860 0.463 24.237 164 HD3 PRO 23 HD3 PRO 23 4.878 0.963 25.954 165 H LEU 24 H LEU 24 6.747 5.859 24.274 166 HA LEU 24 HA LEU 24 6.482 5.756 21.422 167 HB2 LEU 24 HB2 LEU 24 7.016 8.014 21.364 168 HB3 LEU 24 HB3 LEU 24 6.024 7.759 22.786 169 HG LEU 24 HG LEU 24 9.042 8.220 22.758 170 HD11 LEU 24 HD11 LEU 24 8.465 10.395 23.754 171 HD12 LEU 24 HD12 LEU 24 6.736 10.012 23.602 172 HD13 LEU 24 HD13 LEU 24 7.746 10.197 22.153 173 HD21 LEU 24 HD21 LEU 24 8.441 6.894 24.756 174 HD22 LEU 24 HD22 LEU 24 7.151 8.053 25.141 175 HD23 LEU 24 HD23 LEU 24 8.853 8.546 25.200 176 H LYS 25 H LYS 25 7.826 5.319 19.821 177 HA LYS 25 HA LYS 25 10.781 5.171 20.260 178 HB2 LYS 25 HB2 LYS 25 9.010 3.037 19.006 179 HB3 LYS 25 HB3 LYS 25 10.774 3.064 18.880 180 HG2 LYS 25 HG2 LYS 25 10.986 2.831 21.327 181 HG3 LYS 25 HG3 LYS 25 9.230 2.906 21.506 182 HD2 LYS 25 HD2 LYS 25 9.838 0.628 21.686 183 HD3 LYS 25 HD3 LYS 25 9.006 0.829 20.140 184 HE2 LYS 25 HE2 LYS 25 11.222 0.851 18.972 185 HE3 LYS 25 HE3 LYS 25 12.037 0.680 20.533 186 HZ1 LYS 25 HZ1 LYS 25 10.205 -1.323 19.311 187 HZ2 LYS 25 HZ2 LYS 25 10.813 -1.448 20.808 188 HZ3 LYS 25 HZ3 LYS 25 11.848 -1.467 19.539 189 HA PRO 26 HA PRO 26 10.626 7.484 16.444 190 HB2 PRO 26 HB2 PRO 26 13.225 7.393 15.606 191 HB3 PRO 26 HB3 PRO 26 12.698 8.319 17.046 192 HG2 PRO 26 HG2 PRO 26 13.892 5.524 16.968 193 HG3 PRO 26 HG3 PRO 26 14.379 6.905 18.003 194 HD2 PRO 26 HD2 PRO 26 12.697 4.962 18.904 195 HD3 PRO 26 HD3 PRO 26 12.469 6.677 19.371 196 H CYS 27 H CYS 27 10.271 7.145 14.285 197 HA CYS 27 HA CYS 27 9.736 6.062 12.399 198 HB2 CYS 27 HB2 CYS 27 12.455 4.766 12.797 199 HB3 CYS 27 HB3 CYS 27 11.584 4.922 11.260 200 HG CYS 27 HG CYS 27 13.565 6.688 11.340 201 H CYS 28 H CYS 28 8.982 4.570 14.931 202 HA CYS 28 HA CYS 28 9.074 1.736 14.337 203 HB2 CYS 28 HB2 CYS 28 9.331 2.757 16.590 204 HB3 CYS 28 HB3 CYS 28 7.638 3.274 16.535 205 HG CYS 28 HG CYS 28 8.889 0.194 16.328 206 H ALA 29 H ALA 29 8.072 1.878 12.274 207 HA ALA 29 HA ALA 29 5.136 1.448 12.311 208 HB1 ALA 29 HB1 ALA 29 4.884 2.880 10.337 209 HB2 ALA 29 HB2 ALA 29 5.655 3.823 11.620 210 HB3 ALA 29 HB3 ALA 29 6.633 3.183 10.287 211 H SER 30 H SER 30 4.654 0.768 9.771 212 HA SER 30 HA SER 30 6.629 -1.350 9.000 213 HB2 SER 30 HB2 SER 30 3.615 -1.411 9.043 214 HB3 SER 30 HB3 SER 30 4.580 -2.519 8.038 215 HG SER 30 HG SER 30 5.657 -3.228 9.793 216 HA PRO 31 HA PRO 31 6.355 1.713 5.470 217 HB2 PRO 31 HB2 PRO 31 9.042 1.735 4.902 218 HB3 PRO 31 HB3 PRO 31 8.257 2.798 6.111 219 HG2 PRO 31 HG2 PRO 31 9.666 0.161 6.620 220 HG3 PRO 31 HG3 PRO 31 9.928 1.736 7.445 221 HD2 PRO 31 HD2 PRO 31 8.322 -0.105 8.539 222 HD3 PRO 31 HD3 PRO 31 7.822 1.609 8.544 223 H GLU 32 H GLU 32 7.528 -1.625 5.868 224 HA GLU 32 HA GLU 32 7.963 -2.272 3.163 225 HB2 GLU 32 HB2 GLU 32 7.508 -4.526 3.671 226 HB3 GLU 32 HB3 GLU 32 8.324 -3.838 5.064 227 HG2 GLU 32 HG2 GLU 32 6.114 -3.676 6.243 228 HG3 GLU 32 HG3 GLU 32 5.323 -4.382 4.837 229 H THR 33 H THR 33 4.897 -1.597 4.761 230 HA THR 33 HA THR 33 3.173 -2.561 2.630 231 HB THR 33 HB THR 33 1.396 -1.316 3.746 232 HG1 THR 33 HG1 THR 33 3.272 -0.460 5.685 233 HG21 THR 33 HG21 THR 33 3.139 -2.725 5.816 234 HG22 THR 33 HG22 THR 33 2.016 -3.519 4.691 235 HG23 THR 33 HG23 THR 33 1.394 -2.407 5.922 236 H LYS 34 H LYS 34 4.399 0.674 3.513 237 HA LYS 34 HA LYS 34 3.327 2.133 1.270 238 HB2 LYS 34 HB2 LYS 34 4.011 3.491 3.019 239 HB3 LYS 34 HB3 LYS 34 5.432 2.521 3.377 240 HG2 LYS 34 HG2 LYS 34 6.204 4.598 2.619 241 HG3 LYS 34 HG3 LYS 34 6.574 3.405 1.388 242 HD2 LYS 34 HD2 LYS 34 4.520 4.224 0.100 243 HD3 LYS 34 HD3 LYS 34 4.368 5.520 1.304 244 HE2 LYS 34 HE2 LYS 34 6.617 6.344 0.767 245 HE3 LYS 34 HE3 LYS 34 6.909 4.935 -0.269 246 HZ1 LYS 34 HZ1 LYS 34 5.233 5.716 -1.783 247 HZ2 LYS 34 HZ2 LYS 34 6.336 6.872 -1.589 248 HZ3 LYS 34 HZ3 LYS 34 4.884 7.045 -0.839 249 H LYS 35 H LYS 35 6.454 0.437 1.699 250 HA LYS 35 HA LYS 35 7.438 0.984 -0.974 251 HB2 LYS 35 HB2 LYS 35 8.136 -0.909 1.271 252 HB3 LYS 35 HB3 LYS 35 8.778 -1.242 -0.323 253 HG2 LYS 35 HG2 LYS 35 10.306 0.065 1.151 254 HG3 LYS 35 HG3 LYS 35 9.999 0.774 -0.431 255 HD2 LYS 35 HD2 LYS 35 8.504 2.451 0.526 256 HD3 LYS 35 HD3 LYS 35 8.656 1.714 2.139 257 HE2 LYS 35 HE2 LYS 35 11.026 2.239 2.230 258 HE3 LYS 35 HE3 LYS 35 11.009 2.745 0.530 259 HZ1 LYS 35 HZ1 LYS 35 9.529 4.542 1.107 260 HZ2 LYS 35 HZ2 LYS 35 10.914 4.688 1.908 261 HZ3 LYS 35 HZ3 LYS 35 9.587 4.153 2.723 262 H ALA 36 H ALA 36 5.377 -1.617 0.290 263 HA ALA 36 HA ALA 36 5.239 -3.009 -2.255 264 HB1 ALA 36 HB1 ALA 36 3.372 -4.224 -1.182 265 HB2 ALA 36 HB2 ALA 36 4.826 -4.185 -0.175 266 HB3 ALA 36 HB3 ALA 36 3.461 -3.122 0.213 267 H ARG 37 H ARG 37 3.265 -0.386 -0.795 268 HA ARG 37 HA ARG 37 1.357 -0.214 -2.911 269 HB2 ARG 37 HB2 ARG 37 1.284 0.917 -0.632 270 HB3 ARG 37 HB3 ARG 37 2.400 2.121 -1.281 271 HG2 ARG 37 HG2 ARG 37 0.716 2.618 -3.099 272 HG3 ARG 37 HG3 ARG 37 -0.379 1.443 -2.342 273 HD2 ARG 37 HD2 ARG 37 -1.021 3.646 -1.628 274 HD3 ARG 37 HD3 ARG 37 -0.307 2.818 -0.231 275 HE ARG 37 HE ARG 37 1.825 4.136 -1.360 276 HH11 ARG 37 HH11 ARG 37 -1.367 5.256 -0.236 277 HH12 ARG 37 HH12 ARG 37 -0.782 6.866 0.135 278 HH21 ARG 37 HH21 ARG 37 2.534 6.227 -0.877 279 HH22 ARG 37 HH22 ARG 37 1.417 7.420 -0.254 280 H ASP 38 H ASP 38 4.497 1.490 -2.491 281 HA ASP 38 HA ASP 38 4.625 2.874 -4.923 282 HB2 ASP 38 HB2 ASP 38 6.825 1.564 -3.272 283 HB3 ASP 38 HB3 ASP 38 7.156 2.473 -4.739 284 H ALA 39 H ALA 39 5.696 -0.491 -4.225 285 HA ALA 39 HA ALA 39 6.571 -1.108 -6.860 286 HB1 ALA 39 HB1 ALA 39 6.501 -3.439 -6.069 287 HB2 ALA 39 HB2 ALA 39 7.235 -2.375 -4.853 288 HB3 ALA 39 HB3 ALA 39 5.563 -2.948 -4.647 289 H CYS 40 H CYS 40 3.376 -1.800 -5.283 290 HA CYS 40 HA CYS 40 2.252 -3.026 -7.579 291 HB2 CYS 40 HB2 CYS 40 1.460 -3.125 -5.200 292 HB3 CYS 40 HB3 CYS 40 0.810 -1.497 -5.364 293 H ILE 41 H ILE 41 2.135 0.455 -6.583 294 HA ILE 41 HA ILE 41 0.719 1.280 -8.960 295 HB ILE 41 HB ILE 41 2.271 2.740 -6.827 296 HG12 ILE 41 HG12 ILE 41 0.091 3.916 -6.581 297 HG13 ILE 41 HG13 ILE 41 -0.554 3.019 -7.955 298 HG21 ILE 41 HG21 ILE 41 2.859 3.998 -8.876 299 HG22 ILE 41 HG22 ILE 41 1.144 4.026 -9.361 300 HG23 ILE 41 HG23 ILE 41 1.693 4.898 -7.916 301 HD11 ILE 41 HD11 ILE 41 -1.434 2.212 -5.822 302 HD12 ILE 41 HD12 ILE 41 -0.524 0.948 -6.657 303 HD13 ILE 41 HD13 ILE 41 0.198 1.810 -5.280 304 H ILE 42 H ILE 42 4.217 0.760 -8.406 305 HA ILE 42 HA ILE 42 4.952 1.802 -11.043 306 HB ILE 42 HB ILE 42 6.370 0.196 -8.920 307 HG12 ILE 42 HG12 ILE 42 7.132 2.812 -10.293 308 HG13 ILE 42 HG13 ILE 42 6.015 2.761 -8.943 309 HG21 ILE 42 HG21 ILE 42 7.258 -0.826 -10.949 310 HG22 ILE 42 HG22 ILE 42 7.492 0.776 -11.694 311 HG23 ILE 42 HG23 ILE 42 8.464 0.273 -10.306 312 HD11 ILE 42 HD11 ILE 42 7.770 1.700 -7.517 313 HD12 ILE 42 HD12 ILE 42 8.927 1.881 -8.857 314 HD13 ILE 42 HD13 ILE 42 8.219 3.308 -8.107 315 H GLU 43 H GLU 43 3.920 -1.410 -9.934 316 HA GLU 43 HA GLU 43 4.577 -2.575 -12.568 317 HB2 GLU 43 HB2 GLU 43 3.502 -3.803 -10.020 318 HB3 GLU 43 HB3 GLU 43 3.879 -4.678 -11.514 319 HG2 GLU 43 HG2 GLU 43 6.231 -3.296 -11.119 320 HG3 GLU 43 HG3 GLU 43 5.715 -3.586 -9.455 321 H LYS 44 H LYS 44 1.634 -1.666 -10.852 322 HA LYS 44 HA LYS 44 -0.026 -2.634 -13.163 323 HB2 LYS 44 HB2 LYS 44 -0.966 -2.498 -10.287 324 HB3 LYS 44 HB3 LYS 44 -1.661 -3.359 -11.660 325 HG2 LYS 44 HG2 LYS 44 0.308 -4.936 -11.594 326 HG3 LYS 44 HG3 LYS 44 0.821 -4.123 -10.095 327 HD2 LYS 44 HD2 LYS 44 -1.491 -4.602 -9.141 328 HD3 LYS 44 HD3 LYS 44 -1.813 -5.575 -10.594 329 HE2 LYS 44 HE2 LYS 44 0.254 -6.928 -10.031 330 HE3 LYS 44 HE3 LYS 44 0.368 -6.040 -8.510 331 HZ1 LYS 44 HZ1 LYS 44 -1.918 -6.900 -8.002 332 HZ2 LYS 44 HZ2 LYS 44 -0.798 -8.099 -8.195 333 HZ3 LYS 44 HZ3 LYS 44 -1.834 -7.802 -9.406 334 H GLY 45 H GLY 45 0.352 -0.086 -10.754 335 HA2 GLY 45 HA2 GLY 45 -0.448 2.152 -10.884 336 HA3 GLY 45 HA3 GLY 45 -1.557 1.708 -12.173 337 H GLU 46 H GLU 46 -2.425 3.280 -10.108 338 HA GLU 46 HA GLU 46 -3.230 2.057 -7.702 339 HB2 GLU 46 HB2 GLU 46 -4.455 4.447 -9.136 340 HB3 GLU 46 HB3 GLU 46 -4.764 4.004 -7.455 341 HG2 GLU 46 HG2 GLU 46 -2.418 4.338 -6.880 342 HG3 GLU 46 HG3 GLU 46 -2.020 4.686 -8.574 343 H GLU 47 H GLU 47 -4.984 2.251 -10.752 344 HA GLU 47 HA GLU 47 -7.554 1.368 -10.102 345 HB2 GLU 47 HB2 GLU 47 -7.658 0.617 -12.431 346 HB3 GLU 47 HB3 GLU 47 -6.864 2.182 -12.307 347 HG2 GLU 47 HG2 GLU 47 -4.653 1.155 -12.578 348 HG3 GLU 47 HG3 GLU 47 -5.356 -0.461 -12.571 349 H HIS 48 H HIS 48 -4.678 -0.511 -9.839 350 HA HIS 48 HA HIS 48 -6.195 -3.089 -9.623 351 HB2 HIS 48 HB2 HIS 48 -3.458 -2.417 -10.731 352 HB3 HIS 48 HB3 HIS 48 -3.979 -4.070 -10.403 353 HD1 HIS 48 HD1 HIS 48 -7.029 -2.914 -11.818 354 HD2 HIS 48 HD2 HIS 48 -3.138 -3.626 -13.261 355 HE1 HIS 48 HE1 HIS 48 -7.265 -3.469 -14.291 356 H CYS 49 H CYS 49 -5.086 -0.933 -7.524 357 HA CYS 49 HA CYS 49 -3.637 -2.935 -5.817 358 HB2 CYS 49 HB2 CYS 49 -3.013 -0.014 -6.265 359 HB3 CYS 49 HB3 CYS 49 -2.196 -1.051 -5.094 360 H GLY 50 H GLY 50 -6.559 -1.933 -5.743 361 HA2 GLY 50 HA2 GLY 50 -7.030 -0.225 -3.565 362 HA3 GLY 50 HA3 GLY 50 -8.136 -1.465 -4.154 363 H HIS 51 H HIS 51 -6.415 -3.777 -3.425 364 HA HIS 51 HA HIS 51 -7.090 -3.897 -0.574 365 HB2 HIS 51 HB2 HIS 51 -5.696 -5.927 -2.337 366 HB3 HIS 51 HB3 HIS 51 -6.353 -6.219 -0.729 367 HD1 HIS 51 HD1 HIS 51 -7.288 -7.537 -3.615 368 HD2 HIS 51 HD2 HIS 51 -9.234 -4.653 -1.256 369 HE1 HIS 51 HE1 HIS 51 -9.782 -7.660 -4.230 370 H LEU 52 H LEU 52 -4.096 -3.428 -2.414 371 HA LEU 52 HA LEU 52 -2.305 -3.621 -0.162 372 HB2 LEU 52 HB2 LEU 52 -1.976 -3.524 -2.882 373 HB3 LEU 52 HB3 LEU 52 -1.719 -1.834 -2.530 374 HG LEU 52 HG LEU 52 0.394 -2.887 -2.616 375 HD11 LEU 52 HD11 LEU 52 -0.192 -2.655 0.361 376 HD12 LEU 52 HD12 LEU 52 0.092 -1.272 -0.721 377 HD13 LEU 52 HD13 LEU 52 1.364 -2.472 -0.446 378 HD21 LEU 52 HD21 LEU 52 1.058 -4.832 -1.311 379 HD22 LEU 52 HD22 LEU 52 -0.357 -5.227 -2.293 380 HD23 LEU 52 HD23 LEU 52 -0.540 -4.933 -0.554 381 H ILE 53 H ILE 53 -4.038 -0.954 -1.765 382 HA ILE 53 HA ILE 53 -3.211 1.193 -0.066 383 HB ILE 53 HB ILE 53 -5.610 0.682 -1.822 384 HG12 ILE 53 HG12 ILE 53 -3.346 2.703 -2.146 385 HG13 ILE 53 HG13 ILE 53 -3.176 1.038 -2.693 386 HG21 ILE 53 HG21 ILE 53 -5.018 3.216 -0.241 387 HG22 ILE 53 HG22 ILE 53 -6.122 3.145 -1.629 388 HG23 ILE 53 HG23 ILE 53 -6.491 2.207 -0.199 389 HD11 ILE 53 HD11 ILE 53 -5.231 1.278 -4.058 390 HD12 ILE 53 HD12 ILE 53 -5.243 3.016 -3.674 391 HD13 ILE 53 HD13 ILE 53 -3.879 2.317 -4.573 392 H GLU 54 H GLU 54 -6.001 -1.041 0.195 393 HA GLU 54 HA GLU 54 -7.021 -0.055 2.668 394 HB2 GLU 54 HB2 GLU 54 -8.118 -1.759 1.162 395 HB3 GLU 54 HB3 GLU 54 -7.026 -2.974 1.837 396 HG2 GLU 54 HG2 GLU 54 -7.913 -2.309 4.146 397 HG3 GLU 54 HG3 GLU 54 -9.107 -1.310 3.320 398 H ALA 55 H ALA 55 -4.527 -2.580 2.115 399 HA ALA 55 HA ALA 55 -4.046 -3.183 4.851 400 HB1 ALA 55 HB1 ALA 55 -1.988 -4.247 3.987 401 HB2 ALA 55 HB2 ALA 55 -3.388 -4.616 2.956 402 HB3 ALA 55 HB3 ALA 55 -2.199 -3.410 2.434 403 H HIS 56 H HIS 56 -2.403 -0.833 2.701 404 HA HIS 56 HA HIS 56 -0.507 0.203 4.567 405 HB2 HIS 56 HB2 HIS 56 -0.296 0.621 2.199 406 HB3 HIS 56 HB3 HIS 56 -1.883 1.377 2.123 407 HD1 HIS 56 HD1 HIS 56 -1.774 3.974 2.077 408 HD2 HIS 56 HD2 HIS 56 1.468 2.140 4.057 409 HE1 HIS 56 HE1 HIS 56 -0.189 5.842 2.767 410 H LYS 57 H LYS 57 -3.867 1.391 3.804 411 HA LYS 57 HA LYS 57 -3.593 3.503 5.733 412 HB2 LYS 57 HB2 LYS 57 -5.836 4.098 5.287 413 HB3 LYS 57 HB3 LYS 57 -5.056 3.572 3.786 414 HG2 LYS 57 HG2 LYS 57 -6.195 1.401 3.944 415 HG3 LYS 57 HG3 LYS 57 -6.985 1.888 5.444 416 HD2 LYS 57 HD2 LYS 57 -8.496 2.087 3.512 417 HD3 LYS 57 HD3 LYS 57 -8.202 3.656 4.282 418 HE2 LYS 57 HE2 LYS 57 -6.555 4.228 2.545 419 HE3 LYS 57 HE3 LYS 57 -6.758 2.638 1.794 420 HZ1 LYS 57 HZ1 LYS 57 -8.075 4.462 0.732 421 HZ2 LYS 57 HZ2 LYS 57 -8.957 4.603 2.117 422 HZ3 LYS 57 HZ3 LYS 57 -8.989 3.195 1.254 423 H GLU 58 H GLU 58 -4.970 0.254 6.094 424 HA GLU 58 HA GLU 58 -5.744 0.708 8.874 425 HB2 GLU 58 HB2 GLU 58 -5.156 -1.849 7.345 426 HB3 GLU 58 HB3 GLU 58 -5.683 -1.795 9.040 427 HG2 GLU 58 HG2 GLU 58 -7.700 -0.504 8.378 428 HG3 GLU 58 HG3 GLU 58 -7.226 -0.619 6.690 429 H SER 59 H SER 59 -2.642 -0.341 7.394 430 HA SER 59 HA SER 59 -1.253 -0.766 9.869 431 HB2 SER 59 HB2 SER 59 -0.410 -1.409 7.598 432 HB3 SER 59 HB3 SER 59 -0.069 0.302 7.288 433 HG SER 59 HG SER 59 1.082 -1.465 9.189 434 H MET 60 H MET 60 -1.444 2.256 7.857 435 HA MET 60 HA MET 60 -0.184 3.789 9.961 436 HB2 MET 60 HB2 MET 60 -1.440 4.523 7.317 437 HB3 MET 60 HB3 MET 60 -0.887 5.747 8.469 438 HG2 MET 60 HG2 MET 60 0.818 5.308 6.811 439 HG3 MET 60 HG3 MET 60 1.356 4.955 8.447 440 HE1 MET 60 HE1 MET 60 3.521 3.849 7.372 441 HE2 MET 60 HE2 MET 60 3.479 2.448 6.275 442 HE3 MET 60 HE3 MET 60 2.938 4.036 5.701 443 H ARG 61 H ARG 61 -3.581 2.987 9.491 444 HA ARG 61 HA ARG 61 -4.569 4.907 11.435 445 HB2 ARG 61 HB2 ARG 61 -6.048 3.794 9.903 446 HB3 ARG 61 HB3 ARG 61 -5.611 2.207 10.514 447 HG2 ARG 61 HG2 ARG 61 -6.768 4.230 12.443 448 HG3 ARG 61 HG3 ARG 61 -7.849 3.489 11.272 449 HD2 ARG 61 HD2 ARG 61 -6.127 1.876 13.189 450 HD3 ARG 61 HD3 ARG 61 -7.808 2.326 13.473 451 HE ARG 61 HE ARG 61 -8.333 1.132 11.304 452 HH11 ARG 61 HH11 ARG 61 -5.590 0.061 13.326 453 HH12 ARG 61 HH12 ARG 61 -5.712 -1.596 12.774 454 HH21 ARG 61 HH21 ARG 61 -8.426 -1.004 10.609 455 HH22 ARG 61 HH22 ARG 61 -7.305 -2.194 11.234 456 H ALA 62 H ALA 62 -3.116 1.631 11.707 457 HA ALA 62 HA ALA 62 -3.219 1.672 14.611 458 HB1 ALA 62 HB1 ALA 62 -1.418 0.053 12.790 459 HB2 ALA 62 HB2 ALA 62 -1.750 -0.250 14.502 460 HB3 ALA 62 HB3 ALA 62 -3.055 -0.408 13.314 461 H LEU 63 H LEU 63 -1.241 3.576 12.488 462 HA LEU 63 HA LEU 63 0.625 4.220 14.732 463 HB2 LEU 63 HB2 LEU 63 0.372 5.120 11.854 464 HB3 LEU 63 HB3 LEU 63 1.234 6.086 13.017 465 HG LEU 63 HG LEU 63 2.689 4.669 11.649 466 HD11 LEU 63 HD11 LEU 63 2.820 3.918 14.589 467 HD12 LEU 63 HD12 LEU 63 3.387 5.458 13.902 468 HD13 LEU 63 HD13 LEU 63 4.148 3.941 13.417 469 HD21 LEU 63 HD21 LEU 63 1.572 2.304 13.197 470 HD22 LEU 63 HD22 LEU 63 2.855 2.288 11.970 471 HD23 LEU 63 HD23 LEU 63 1.192 2.695 11.514 472 H GLY 64 H GLY 64 -2.515 5.035 13.745 473 HA2 GLY 64 HA2 GLY 64 -4.022 6.545 14.498 474 HA3 GLY 64 HA3 GLY 64 -2.845 7.146 15.672 475 H PHE 65 H PHE 65 -2.068 7.193 12.198 476 HA PHE 65 HA PHE 65 -2.802 10.060 12.055 477 HB2 PHE 65 HB2 PHE 65 -0.578 10.684 11.206 478 HB3 PHE 65 HB3 PHE 65 -0.728 10.326 12.904 479 HD1 PHE 65 HD1 PHE 65 0.102 8.086 9.902 480 HD2 PHE 65 HD2 PHE 65 1.311 9.699 13.720 481 HE1 PHE 65 HE1 PHE 65 2.268 6.928 9.711 482 HE2 PHE 65 HE2 PHE 65 3.474 8.513 13.524 483 HZ PHE 65 HZ PHE 65 3.969 7.143 11.510 484 H LYS 66 H LYS 66 -4.307 8.310 10.817 485 HA LYS 66 HA LYS 66 -3.742 8.991 7.965 486 HB2 LYS 66 HB2 LYS 66 -2.769 6.832 8.295 487 HB3 LYS 66 HB3 LYS 66 -4.199 6.175 9.045 488 HG2 LYS 66 HG2 LYS 66 -4.022 5.337 6.831 489 HG3 LYS 66 HG3 LYS 66 -5.391 6.426 6.802 490 HD2 LYS 66 HD2 LYS 66 -2.605 7.317 5.915 491 HD3 LYS 66 HD3 LYS 66 -3.664 6.405 4.840 492 HE2 LYS 66 HE2 LYS 66 -5.392 8.134 4.964 493 HE3 LYS 66 HE3 LYS 66 -4.399 9.088 6.074 494 HZ1 LYS 66 HZ1 LYS 66 -2.769 9.390 4.386 495 HZ2 LYS 66 HZ2 LYS 66 -4.217 9.800 3.720 496 HZ3 LYS 66 HZ3 LYS 66 -3.510 8.361 3.356 497 H ILE 67 H ILE 67 -6.224 7.578 10.098 498 HA ILE 67 HA ILE 67 -8.344 9.132 8.703 499 HB ILE 67 HB ILE 67 -9.824 7.028 8.819 500 HG12 ILE 67 HG12 ILE 67 -7.133 5.593 8.726 501 HG13 ILE 67 HG13 ILE 67 -8.156 5.687 10.167 502 HG21 ILE 67 HG21 ILE 67 -9.037 8.149 6.758 503 HG22 ILE 67 HG22 ILE 67 -7.595 7.118 6.748 504 HG23 ILE 67 HG23 ILE 67 -9.208 6.409 6.556 505 HD11 ILE 67 HD11 ILE 67 -8.468 3.549 9.033 506 HD12 ILE 67 HD12 ILE 67 -9.969 4.498 8.945 507 HD13 ILE 67 HD13 ILE 67 -8.901 4.359 7.523 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -6.534 7.824 -55.675 2 H2 GLY 1 H2 GLY 1 -8.095 8.252 -55.977 3 H3 GLY 1 H3 GLY 1 -7.741 6.720 -55.493 4 HA2 GLY 1 HA2 GLY 1 -8.692 7.931 -53.677 5 HA3 GLY 1 HA3 GLY 1 -6.989 7.542 -53.343 6 H SER 2 H SER 2 -5.865 9.211 -52.563 7 HA SER 2 HA SER 2 -5.876 11.759 -54.017 8 HB2 SER 2 HB2 SER 2 -6.020 13.170 -52.072 9 HB3 SER 2 HB3 SER 2 -7.463 12.157 -52.161 10 HG SER 2 HG SER 2 -5.498 12.304 -50.268 11 H PHE 3 H PHE 3 -3.913 13.096 -53.413 12 HA PHE 3 HA PHE 3 -1.633 11.307 -53.555 13 HB2 PHE 3 HB2 PHE 3 -1.722 14.338 -53.490 14 HB3 PHE 3 HB3 PHE 3 -0.388 13.351 -54.057 15 HD1 PHE 3 HD1 PHE 3 -2.224 11.328 -55.695 16 HD2 PHE 3 HD2 PHE 3 -1.847 15.624 -55.528 17 HE1 PHE 3 HE1 PHE 3 -3.072 11.499 -58.003 18 HE2 PHE 3 HE2 PHE 3 -2.691 15.785 -57.853 19 HZ PHE 3 HZ PHE 3 -3.305 13.720 -59.100 20 H THR 4 H THR 4 0.495 12.099 -52.452 21 HA THR 4 HA THR 4 0.469 11.701 -49.645 22 HB THR 4 HB THR 4 2.737 12.871 -49.727 23 HG1 THR 4 HG1 THR 4 2.250 14.117 -51.583 24 HG21 THR 4 HG21 THR 4 3.825 11.059 -50.970 25 HG22 THR 4 HG22 THR 4 2.267 10.584 -51.687 26 HG23 THR 4 HG23 THR 4 2.534 10.429 -49.939 27 H MET 5 H MET 5 0.087 12.926 -47.946 28 HA MET 5 HA MET 5 -0.762 15.734 -48.228 29 HB2 MET 5 HB2 MET 5 -0.733 13.837 -45.850 30 HB3 MET 5 HB3 MET 5 -1.349 15.492 -45.811 31 HG2 MET 5 HG2 MET 5 -3.064 14.933 -47.469 32 HG3 MET 5 HG3 MET 5 -2.443 13.282 -47.593 33 HE1 MET 5 HE1 MET 5 -4.930 12.443 -47.230 34 HE2 MET 5 HE2 MET 5 -5.927 12.873 -45.821 35 HE3 MET 5 HE3 MET 5 -5.495 14.113 -47.019 36 HA PRO 6 HA PRO 6 3.119 17.417 -46.516 37 HB2 PRO 6 HB2 PRO 6 1.274 19.393 -45.185 38 HB3 PRO 6 HB3 PRO 6 2.754 19.704 -46.141 39 HG2 PRO 6 HG2 PRO 6 0.320 20.124 -47.236 40 HG3 PRO 6 HG3 PRO 6 1.597 19.302 -48.196 41 HD2 PRO 6 HD2 PRO 6 -0.685 18.038 -46.638 42 HD3 PRO 6 HD3 PRO 6 -0.141 17.723 -48.317 43 H GLY 7 H GLY 7 4.080 18.005 -44.362 44 HA2 GLY 7 HA2 GLY 7 4.120 18.209 -42.051 45 HA3 GLY 7 HA3 GLY 7 2.477 17.593 -41.965 46 H LEU 8 H LEU 8 5.202 15.856 -43.372 47 HA LEU 8 HA LEU 8 4.846 13.621 -41.510 48 HB2 LEU 8 HB2 LEU 8 6.580 14.086 -43.921 49 HB3 LEU 8 HB3 LEU 8 6.976 12.792 -42.809 50 HG LEU 8 HG LEU 8 5.681 11.982 -44.681 51 HD11 LEU 8 HD11 LEU 8 4.029 11.747 -42.132 52 HD12 LEU 8 HD12 LEU 8 5.535 10.857 -42.453 53 HD13 LEU 8 HD13 LEU 8 4.113 10.611 -43.482 54 HD21 LEU 8 HD21 LEU 8 3.340 12.437 -44.975 55 HD22 LEU 8 HD22 LEU 8 4.235 13.963 -45.083 56 HD23 LEU 8 HD23 LEU 8 3.309 13.564 -43.615 57 H VAL 9 H VAL 9 5.128 14.980 -39.617 58 HA VAL 9 HA VAL 9 7.631 14.304 -38.418 59 HB VAL 9 HB VAL 9 7.826 16.447 -37.172 60 HG11 VAL 9 HG11 VAL 9 8.245 16.892 -40.136 61 HG12 VAL 9 HG12 VAL 9 9.155 17.582 -38.787 62 HG13 VAL 9 HG13 VAL 9 9.292 15.859 -39.128 63 HG21 VAL 9 HG21 VAL 9 6.014 17.620 -39.328 64 HG22 VAL 9 HG22 VAL 9 5.621 17.468 -37.601 65 HG23 VAL 9 HG23 VAL 9 6.930 18.533 -38.115 66 H ASP 10 H ASP 10 7.402 13.915 -36.352 67 HA ASP 10 HA ASP 10 4.919 14.545 -34.828 68 HB2 ASP 10 HB2 ASP 10 4.820 12.155 -35.589 69 HB3 ASP 10 HB3 ASP 10 6.324 11.838 -34.726 70 H SER 11 H SER 11 5.554 15.787 -33.138 71 HA SER 11 HA SER 11 8.393 16.038 -32.527 72 HB2 SER 11 HB2 SER 11 5.982 17.555 -31.497 73 HB3 SER 11 HB3 SER 11 7.673 17.920 -31.093 74 HG SER 11 HG SER 11 6.362 18.100 -33.593 75 H ASN 12 H ASN 12 7.819 13.557 -31.819 76 HA ASN 12 HA ASN 12 6.981 12.607 -29.463 77 HB2 ASN 12 HB2 ASN 12 8.053 11.350 -31.288 78 HB3 ASN 12 HB3 ASN 12 9.637 11.959 -30.800 79 HD21 ASN 12 HD21 ASN 12 6.828 10.072 -29.626 80 HD22 ASN 12 HD22 ASN 12 7.785 9.095 -28.506 81 HA PRO 13 HA PRO 13 9.141 15.411 -26.642 82 HB2 PRO 13 HB2 PRO 13 7.643 13.744 -24.608 83 HB3 PRO 13 HB3 PRO 13 7.889 15.519 -24.649 84 HG2 PRO 13 HG2 PRO 13 5.553 14.490 -25.515 85 HG3 PRO 13 HG3 PRO 13 6.369 15.749 -26.492 86 HD2 PRO 13 HD2 PRO 13 6.401 12.741 -26.895 87 HD3 PRO 13 HD3 PRO 13 6.144 14.043 -28.097 88 H ALA 14 H ALA 14 10.868 15.408 -25.165 89 HA ALA 14 HA ALA 14 12.459 12.966 -25.057 90 HB1 ALA 14 HB1 ALA 14 14.113 14.403 -23.921 91 HB2 ALA 14 HB2 ALA 14 13.517 15.149 -25.414 92 HB3 ALA 14 HB3 ALA 14 12.920 15.711 -23.837 93 HA PRO 15 HA PRO 15 10.956 11.594 -21.157 94 HB2 PRO 15 HB2 PRO 15 12.982 10.006 -20.207 95 HB3 PRO 15 HB3 PRO 15 11.961 9.585 -21.619 96 HG2 PRO 15 HG2 PRO 15 14.712 10.831 -21.592 97 HG3 PRO 15 HG3 PRO 15 14.119 9.483 -22.605 98 HD2 PRO 15 HD2 PRO 15 14.228 12.080 -23.500 99 HD3 PRO 15 HD3 PRO 15 12.960 10.936 -24.038 100 HA PRO 16 HA PRO 16 11.983 14.246 -17.892 101 HB2 PRO 16 HB2 PRO 16 11.914 11.921 -15.972 102 HB3 PRO 16 HB3 PRO 16 11.059 13.492 -15.870 103 HG2 PRO 16 HG2 PRO 16 9.719 11.306 -16.678 104 HG3 PRO 16 HG3 PRO 16 9.516 12.845 -17.584 105 HD2 PRO 16 HD2 PRO 16 11.323 10.499 -18.248 106 HD3 PRO 16 HD3 PRO 16 10.176 11.377 -19.298 107 H GLU 17 H GLU 17 13.468 15.040 -16.346 108 HA GLU 17 HA GLU 17 16.069 13.637 -15.974 109 HB2 GLU 17 HB2 GLU 17 17.340 15.367 -17.097 110 HB3 GLU 17 HB3 GLU 17 16.152 14.687 -18.204 111 HG2 GLU 17 HG2 GLU 17 14.638 16.681 -17.645 112 HG3 GLU 17 HG3 GLU 17 16.008 17.377 -16.775 113 H SER 18 H SER 18 13.768 15.622 -14.515 114 HA SER 18 HA SER 18 15.798 17.061 -12.865 115 HB2 SER 18 HB2 SER 18 14.249 18.901 -12.761 116 HB3 SER 18 HB3 SER 18 14.553 18.454 -14.450 117 HG SER 18 HG SER 18 12.315 18.824 -13.801 118 H GLN 19 H GLN 19 13.545 14.588 -12.309 119 HA GLN 19 HA GLN 19 12.723 15.430 -9.657 120 HB2 GLN 19 HB2 GLN 19 11.565 13.650 -10.955 121 HB3 GLN 19 HB3 GLN 19 12.968 12.594 -10.733 122 HG2 GLN 19 HG2 GLN 19 12.640 12.649 -8.281 123 HG3 GLN 19 HG3 GLN 19 11.325 13.807 -8.462 124 HE21 GLN 19 HE21 GLN 19 12.277 10.415 -8.889 125 HE22 GLN 19 HE22 GLN 19 10.633 9.819 -9.021 126 H GLU 20 H GLU 20 13.589 14.919 -7.653 127 HA GLU 20 HA GLU 20 16.491 14.172 -7.535 128 HB2 GLU 20 HB2 GLU 20 14.859 15.944 -5.682 129 HB3 GLU 20 HB3 GLU 20 16.576 15.570 -5.528 130 HG2 GLU 20 HG2 GLU 20 16.970 16.661 -7.760 131 HG3 GLU 20 HG3 GLU 20 15.268 17.122 -7.815 132 H LYS 21 H LYS 21 17.214 12.898 -5.740 133 HA LYS 21 HA LYS 21 15.494 10.691 -5.028 134 HB2 LYS 21 HB2 LYS 21 18.023 10.715 -5.427 135 HB3 LYS 21 HB3 LYS 21 18.180 11.461 -3.845 136 HG2 LYS 21 HG2 LYS 21 18.592 9.212 -3.441 137 HG3 LYS 21 HG3 LYS 21 16.914 9.413 -2.927 138 HD2 LYS 21 HD2 LYS 21 16.129 8.399 -5.045 139 HD3 LYS 21 HD3 LYS 21 17.811 8.270 -5.616 140 HE2 LYS 21 HE2 LYS 21 18.350 6.803 -3.674 141 HE3 LYS 21 HE3 LYS 21 16.675 6.937 -3.117 142 HZ1 LYS 21 HZ1 LYS 21 17.520 5.715 -5.695 143 HZ2 LYS 21 HZ2 LYS 21 15.972 5.872 -5.185 144 HZ3 LYS 21 HZ3 LYS 21 17.012 4.902 -4.353 145 H LYS 22 H LYS 22 14.570 10.114 -3.077 146 HA LYS 22 HA LYS 22 14.041 12.280 -1.073 147 HB2 LYS 22 HB2 LYS 22 12.523 9.881 -2.091 148 HB3 LYS 22 HB3 LYS 22 12.339 10.277 -0.399 149 HG2 LYS 22 HG2 LYS 22 10.571 11.288 -1.582 150 HG3 LYS 22 HG3 LYS 22 11.597 12.560 -0.948 151 HD2 LYS 22 HD2 LYS 22 12.110 11.670 -3.791 152 HD3 LYS 22 HD3 LYS 22 10.596 12.507 -3.448 153 HE2 LYS 22 HE2 LYS 22 11.892 14.347 -2.333 154 HE3 LYS 22 HE3 LYS 22 13.392 13.579 -2.882 155 HZ1 LYS 22 HZ1 LYS 22 12.541 15.350 -4.391 156 HZ2 LYS 22 HZ2 LYS 22 11.208 14.448 -4.697 157 HZ3 LYS 22 HZ3 LYS 22 12.692 13.896 -5.145 158 HA PRO 23 HA PRO 23 16.305 10.102 2.110 159 HB2 PRO 23 HB2 PRO 23 14.891 10.617 4.386 160 HB3 PRO 23 HB3 PRO 23 15.801 11.888 3.510 161 HG2 PRO 23 HG2 PRO 23 12.840 11.232 3.280 162 HG3 PRO 23 HG3 PRO 23 13.595 12.832 3.567 163 HD2 PRO 23 HD2 PRO 23 12.847 12.046 1.089 164 HD3 PRO 23 HD3 PRO 23 14.347 12.985 1.336 165 H LEU 24 H LEU 24 16.154 8.265 3.596 166 HA LEU 24 HA LEU 24 13.964 6.353 2.878 167 HB2 LEU 24 HB2 LEU 24 16.834 5.935 3.781 168 HB3 LEU 24 HB3 LEU 24 15.639 4.656 3.790 169 HG LEU 24 HG LEU 24 17.015 4.436 1.857 170 HD11 LEU 24 HD11 LEU 24 15.371 4.275 0.116 171 HD12 LEU 24 HD12 LEU 24 14.296 5.431 0.921 172 HD13 LEU 24 HD13 LEU 24 14.615 3.839 1.663 173 HD21 LEU 24 HD21 LEU 24 17.207 5.979 0.058 174 HD22 LEU 24 HD22 LEU 24 17.659 6.831 1.544 175 HD23 LEU 24 HD23 LEU 24 16.067 7.114 0.796 176 H LYS 25 H LYS 25 12.833 5.202 4.397 177 HA LYS 25 HA LYS 25 12.206 6.823 6.652 178 HB2 LYS 25 HB2 LYS 25 11.070 4.102 5.900 179 HB3 LYS 25 HB3 LYS 25 10.387 5.215 7.092 180 HG2 LYS 25 HG2 LYS 25 10.205 6.961 5.246 181 HG3 LYS 25 HG3 LYS 25 10.697 5.709 4.107 182 HD2 LYS 25 HD2 LYS 25 8.379 5.824 3.928 183 HD3 LYS 25 HD3 LYS 25 8.667 4.350 4.856 184 HE2 LYS 25 HE2 LYS 25 7.933 5.392 6.901 185 HE3 LYS 25 HE3 LYS 25 8.083 7.014 6.213 186 HZ1 LYS 25 HZ1 LYS 25 6.215 6.560 4.768 187 HZ2 LYS 25 HZ2 LYS 25 5.764 6.276 6.303 188 HZ3 LYS 25 HZ3 LYS 25 6.075 5.010 5.326 189 HA PRO 26 HA PRO 26 14.528 5.333 9.973 190 HB2 PRO 26 HB2 PRO 26 11.988 5.303 11.616 191 HB3 PRO 26 HB3 PRO 26 13.572 6.034 12.025 192 HG2 PRO 26 HG2 PRO 26 11.574 7.599 11.149 193 HG3 PRO 26 HG3 PRO 26 13.210 7.810 10.434 194 HD2 PRO 26 HD2 PRO 26 10.860 6.241 9.325 195 HD3 PRO 26 HD3 PRO 26 11.908 7.442 8.520 196 H CYS 27 H CYS 27 14.910 3.720 11.691 197 HA CYS 27 HA CYS 27 13.814 1.028 11.454 198 HB2 CYS 27 HB2 CYS 27 15.086 2.483 13.808 199 HB3 CYS 27 HB3 CYS 27 14.833 0.738 13.703 200 HG CYS 27 HG CYS 27 16.611 0.136 12.097 201 H CYS 28 H CYS 28 12.183 0.084 12.873 202 HA CYS 28 HA CYS 28 10.116 0.004 13.738 203 HB2 CYS 28 HB2 CYS 28 11.010 2.394 15.377 204 HB3 CYS 28 HB3 CYS 28 9.597 1.378 15.710 205 HG CYS 28 HG CYS 28 11.506 0.710 17.371 206 H ALA 29 H ALA 29 10.385 1.435 11.262 207 HA ALA 29 HA ALA 29 7.790 2.925 11.228 208 HB1 ALA 29 HB1 ALA 29 9.816 4.192 10.437 209 HB2 ALA 29 HB2 ALA 29 10.042 2.963 9.175 210 HB3 ALA 29 HB3 ALA 29 8.583 3.977 9.191 211 H SER 30 H SER 30 7.003 2.499 8.624 212 HA SER 30 HA SER 30 7.070 -0.455 8.181 213 HB2 SER 30 HB2 SER 30 4.846 -0.109 7.065 214 HB3 SER 30 HB3 SER 30 4.917 -0.068 8.823 215 HG SER 30 HG SER 30 4.593 2.034 8.896 216 HA PRO 31 HA PRO 31 9.059 1.465 4.476 217 HB2 PRO 31 HB2 PRO 31 11.160 -0.279 4.242 218 HB3 PRO 31 HB3 PRO 31 11.180 1.149 5.322 219 HG2 PRO 31 HG2 PRO 31 10.499 -1.722 6.058 220 HG3 PRO 31 HG3 PRO 31 11.664 -0.621 6.865 221 HD2 PRO 31 HD2 PRO 31 9.163 -0.897 7.820 222 HD3 PRO 31 HD3 PRO 31 9.921 0.714 7.759 223 H GLU 32 H GLU 32 8.200 -1.980 5.220 224 HA GLU 32 HA GLU 32 8.450 -2.815 2.462 225 HB2 GLU 32 HB2 GLU 32 7.001 -4.085 4.816 226 HB3 GLU 32 HB3 GLU 32 7.059 -4.785 3.194 227 HG2 GLU 32 HG2 GLU 32 9.515 -4.793 3.240 228 HG3 GLU 32 HG3 GLU 32 9.495 -4.127 4.878 229 H THR 33 H THR 33 5.680 -1.512 4.302 230 HA THR 33 HA THR 33 3.676 -2.070 2.328 231 HB THR 33 HB THR 33 2.466 -0.119 3.477 232 HG1 THR 33 HG1 THR 33 3.377 0.588 5.362 233 HG21 THR 33 HG21 THR 33 2.227 -2.508 4.281 234 HG22 THR 33 HG22 THR 33 2.067 -1.309 5.565 235 HG23 THR 33 HG23 THR 33 3.589 -2.205 5.404 236 H LYS 34 H LYS 34 5.638 0.825 2.967 237 HA LYS 34 HA LYS 34 4.940 2.427 0.726 238 HB2 LYS 34 HB2 LYS 34 6.168 3.500 2.344 239 HB3 LYS 34 HB3 LYS 34 7.282 2.162 2.600 240 HG2 LYS 34 HG2 LYS 34 8.454 4.046 1.698 241 HG3 LYS 34 HG3 LYS 34 8.466 2.734 0.521 242 HD2 LYS 34 HD2 LYS 34 6.578 3.861 -0.700 243 HD3 LYS 34 HD3 LYS 34 6.633 5.169 0.483 244 HE2 LYS 34 HE2 LYS 34 8.914 5.729 -0.131 245 HE3 LYS 34 HE3 LYS 34 9.037 4.284 -1.157 246 HZ1 LYS 34 HZ1 LYS 34 8.607 6.304 -2.423 247 HZ2 LYS 34 HZ2 LYS 34 7.136 6.521 -1.682 248 HZ3 LYS 34 HZ3 LYS 34 7.419 5.197 -2.629 249 H LYS 35 H LYS 35 7.668 0.063 0.913 250 HA LYS 35 HA LYS 35 8.370 0.322 -1.862 251 HB2 LYS 35 HB2 LYS 35 9.008 -1.557 0.377 252 HB3 LYS 35 HB3 LYS 35 9.138 -2.242 -1.239 253 HG2 LYS 35 HG2 LYS 35 11.264 -1.369 -0.481 254 HG3 LYS 35 HG3 LYS 35 10.701 -0.603 -1.960 255 HD2 LYS 35 HD2 LYS 35 10.022 1.438 -0.637 256 HD3 LYS 35 HD3 LYS 35 10.631 0.620 0.834 257 HE2 LYS 35 HE2 LYS 35 12.832 0.300 -0.395 258 HE3 LYS 35 HE3 LYS 35 12.197 1.311 -1.703 259 HZ1 LYS 35 HZ1 LYS 35 13.586 2.456 -0.033 260 HZ2 LYS 35 HZ2 LYS 35 12.474 2.179 1.118 261 HZ3 LYS 35 HZ3 LYS 35 12.077 3.160 -0.134 262 H ALA 36 H ALA 36 5.943 -1.748 -0.337 263 HA ALA 36 HA ALA 36 5.384 -3.229 -2.757 264 HB1 ALA 36 HB1 ALA 36 3.579 -4.208 -1.441 265 HB2 ALA 36 HB2 ALA 36 5.062 -4.156 -0.494 266 HB3 ALA 36 HB3 ALA 36 3.778 -2.965 -0.184 267 H ARG 37 H ARG 37 3.915 -0.300 -1.269 268 HA ARG 37 HA ARG 37 1.777 0.056 -3.158 269 HB2 ARG 37 HB2 ARG 37 2.016 1.331 -1.037 270 HB3 ARG 37 HB3 ARG 37 3.472 2.092 -1.648 271 HG2 ARG 37 HG2 ARG 37 1.763 3.682 -1.863 272 HG3 ARG 37 HG3 ARG 37 2.080 3.122 -3.503 273 HD2 ARG 37 HD2 ARG 37 0.088 1.606 -3.334 274 HD3 ARG 37 HD3 ARG 37 -0.221 2.214 -1.705 275 HE ARG 37 HE ARG 37 -0.788 3.525 -4.242 276 HH11 ARG 37 HH11 ARG 37 -0.220 4.153 -0.772 277 HH12 ARG 37 HH12 ARG 37 -1.035 5.700 -0.817 278 HH21 ARG 37 HH21 ARG 37 -1.825 5.540 -4.242 279 HH22 ARG 37 HH22 ARG 37 -1.944 6.477 -2.769 280 H ASP 38 H ASP 38 5.131 1.409 -3.135 281 HA ASP 38 HA ASP 38 5.155 2.641 -5.663 282 HB2 ASP 38 HB2 ASP 38 7.350 1.218 -4.098 283 HB3 ASP 38 HB3 ASP 38 7.649 2.047 -5.620 284 H ALA 39 H ALA 39 6.129 -0.752 -4.882 285 HA ALA 39 HA ALA 39 6.717 -1.516 -7.536 286 HB1 ALA 39 HB1 ALA 39 6.591 -3.819 -6.645 287 HB2 ALA 39 HB2 ALA 39 7.478 -2.749 -5.548 288 HB3 ALA 39 HB3 ALA 39 5.806 -3.217 -5.169 289 H CYS 40 H CYS 40 3.592 -1.869 -5.717 290 HA CYS 40 HA CYS 40 2.310 -3.196 -7.927 291 HB2 CYS 40 HB2 CYS 40 1.618 -3.276 -5.511 292 HB3 CYS 40 HB3 CYS 40 1.000 -1.636 -5.651 293 H ILE 41 H ILE 41 2.367 0.273 -6.918 294 HA ILE 41 HA ILE 41 0.723 1.214 -9.076 295 HB ILE 41 HB ILE 41 2.607 2.471 -7.107 296 HG12 ILE 41 HG12 ILE 41 0.650 3.758 -6.488 297 HG13 ILE 41 HG13 ILE 41 -0.221 3.231 -7.928 298 HG21 ILE 41 HG21 ILE 41 2.196 4.715 -8.039 299 HG22 ILE 41 HG22 ILE 41 3.208 3.739 -9.093 300 HG23 ILE 41 HG23 ILE 41 1.484 3.993 -9.491 301 HD11 ILE 41 HD11 ILE 41 -0.459 0.980 -7.026 302 HD12 ILE 41 HD12 ILE 41 0.487 1.429 -5.588 303 HD13 ILE 41 HD13 ILE 41 -1.088 2.174 -5.895 304 H ILE 42 H ILE 42 4.257 0.554 -8.977 305 HA ILE 42 HA ILE 42 4.594 1.466 -11.745 306 HB ILE 42 HB ILE 42 6.327 -0.250 -9.949 307 HG12 ILE 42 HG12 ILE 42 6.752 2.624 -10.890 308 HG13 ILE 42 HG13 ILE 42 5.911 2.262 -9.406 309 HG21 ILE 42 HG21 ILE 42 6.883 -0.806 -12.285 310 HG22 ILE 42 HG22 ILE 42 6.944 0.919 -12.709 311 HG23 ILE 42 HG23 ILE 42 8.151 0.206 -11.625 312 HD11 ILE 42 HD11 ILE 42 7.935 1.030 -8.570 313 HD12 ILE 42 HD12 ILE 42 8.817 1.600 -10.008 314 HD13 ILE 42 HD13 ILE 42 8.177 2.765 -8.841 315 H GLU 43 H GLU 43 3.940 -1.762 -10.335 316 HA GLU 43 HA GLU 43 4.261 -3.135 -12.882 317 HB2 GLU 43 HB2 GLU 43 3.283 -3.992 -10.144 318 HB3 GLU 43 HB3 GLU 43 3.432 -5.102 -11.494 319 HG2 GLU 43 HG2 GLU 43 5.792 -3.445 -10.498 320 HG3 GLU 43 HG3 GLU 43 5.359 -5.012 -9.828 321 H LYS 44 H LYS 44 1.439 -2.059 -11.052 322 HA LYS 44 HA LYS 44 -0.424 -3.148 -13.154 323 HB2 LYS 44 HB2 LYS 44 -1.039 -2.948 -10.184 324 HB3 LYS 44 HB3 LYS 44 -1.952 -3.777 -11.442 325 HG2 LYS 44 HG2 LYS 44 0.010 -5.382 -11.684 326 HG3 LYS 44 HG3 LYS 44 0.733 -4.607 -10.267 327 HD2 LYS 44 HD2 LYS 44 -1.258 -5.221 -8.913 328 HD3 LYS 44 HD3 LYS 44 -1.964 -6.035 -10.330 329 HE2 LYS 44 HE2 LYS 44 -0.024 -7.554 -10.455 330 HE3 LYS 44 HE3 LYS 44 0.750 -6.715 -9.102 331 HZ1 LYS 44 HZ1 LYS 44 -0.306 -8.695 -8.311 332 HZ2 LYS 44 HZ2 LYS 44 -1.775 -8.276 -8.943 333 HZ3 LYS 44 HZ3 LYS 44 -1.107 -7.447 -7.683 334 H GLY 45 H GLY 45 0.125 -0.606 -10.752 335 HA2 GLY 45 HA2 GLY 45 -0.431 1.716 -11.103 336 HA3 GLY 45 HA3 GLY 45 -1.659 1.252 -12.273 337 H GLU 46 H GLU 46 -2.106 3.050 -10.197 338 HA GLU 46 HA GLU 46 -2.894 2.278 -7.686 339 HB2 GLU 46 HB2 GLU 46 -4.249 4.294 -9.515 340 HB3 GLU 46 HB3 GLU 46 -4.483 4.230 -7.778 341 HG2 GLU 46 HG2 GLU 46 -1.750 4.676 -9.057 342 HG3 GLU 46 HG3 GLU 46 -2.880 5.974 -8.740 343 H GLU 47 H GLU 47 -4.982 2.102 -10.586 344 HA GLU 47 HA GLU 47 -7.424 1.558 -9.235 345 HB2 GLU 47 HB2 GLU 47 -6.660 0.847 -12.094 346 HB3 GLU 47 HB3 GLU 47 -8.288 1.014 -11.438 347 HG2 GLU 47 HG2 GLU 47 -7.874 3.431 -11.017 348 HG3 GLU 47 HG3 GLU 47 -6.252 3.269 -11.697 349 H HIS 48 H HIS 48 -4.802 -0.611 -9.795 350 HA HIS 48 HA HIS 48 -6.558 -2.985 -9.257 351 HB2 HIS 48 HB2 HIS 48 -3.927 -2.717 -10.734 352 HB3 HIS 48 HB3 HIS 48 -4.595 -4.272 -10.227 353 HD1 HIS 48 HD1 HIS 48 -5.301 -1.459 -12.758 354 HD2 HIS 48 HD2 HIS 48 -6.718 -5.229 -11.531 355 HE1 HIS 48 HE1 HIS 48 -7.017 -2.184 -14.497 356 H CYS 49 H CYS 49 -4.772 -0.883 -7.537 357 HA CYS 49 HA CYS 49 -3.397 -2.928 -5.850 358 HB2 CYS 49 HB2 CYS 49 -2.748 -0.038 -6.430 359 HB3 CYS 49 HB3 CYS 49 -1.861 -1.053 -5.289 360 H GLY 50 H GLY 50 -6.306 -1.599 -5.539 361 HA2 GLY 50 HA2 GLY 50 -6.297 0.048 -3.282 362 HA3 GLY 50 HA3 GLY 50 -7.629 -0.976 -3.747 363 H HIS 51 H HIS 51 -5.741 -3.468 -3.210 364 HA HIS 51 HA HIS 51 -6.333 -3.799 -0.383 365 HB2 HIS 51 HB2 HIS 51 -4.558 -5.392 -2.264 366 HB3 HIS 51 HB3 HIS 51 -4.915 -5.846 -0.605 367 HD1 HIS 51 HD1 HIS 51 -6.652 -5.594 -4.007 368 HD2 HIS 51 HD2 HIS 51 -7.236 -7.051 -0.104 369 HE1 HIS 51 HE1 HIS 51 -8.762 -7.048 -4.086 370 H LEU 52 H LEU 52 -3.484 -2.585 -2.133 371 HA LEU 52 HA LEU 52 -1.639 -2.611 0.123 372 HB2 LEU 52 HB2 LEU 52 -1.764 -0.923 -2.433 373 HB3 LEU 52 HB3 LEU 52 -0.561 -0.689 -1.215 374 HG LEU 52 HG LEU 52 0.249 -1.920 -3.139 375 HD11 LEU 52 HD11 LEU 52 1.420 -3.676 -1.933 376 HD12 LEU 52 HD12 LEU 52 0.272 -3.574 -0.591 377 HD13 LEU 52 HD13 LEU 52 1.325 -2.189 -0.965 378 HD21 LEU 52 HD21 LEU 52 -0.312 -4.221 -3.593 379 HD22 LEU 52 HD22 LEU 52 -1.783 -3.240 -3.706 380 HD23 LEU 52 HD23 LEU 52 -1.483 -4.255 -2.272 381 H ILE 53 H ILE 53 -3.684 -0.048 -1.337 382 HA ILE 53 HA ILE 53 -3.247 1.836 0.741 383 HB ILE 53 HB ILE 53 -5.638 1.643 -1.149 384 HG12 ILE 53 HG12 ILE 53 -4.414 3.619 -2.268 385 HG13 ILE 53 HG13 ILE 53 -2.979 3.139 -1.371 386 HG21 ILE 53 HG21 ILE 53 -4.558 3.892 0.605 387 HG22 ILE 53 HG22 ILE 53 -5.838 4.085 -0.629 388 HG23 ILE 53 HG23 ILE 53 -6.136 3.073 0.770 389 HD11 ILE 53 HD11 ILE 53 -3.167 2.398 -3.803 390 HD12 ILE 53 HD12 ILE 53 -2.816 1.097 -2.662 391 HD13 ILE 53 HD13 ILE 53 -4.467 1.313 -3.306 392 H GLU 54 H GLU 54 -5.749 -0.723 0.496 393 HA GLU 54 HA GLU 54 -7.254 -0.019 2.806 394 HB2 GLU 54 HB2 GLU 54 -8.070 -1.613 1.165 395 HB3 GLU 54 HB3 GLU 54 -6.748 -2.737 1.541 396 HG2 GLU 54 HG2 GLU 54 -7.595 -3.093 3.788 397 HG3 GLU 54 HG3 GLU 54 -8.774 -1.792 3.595 398 H ALA 55 H ALA 55 -4.416 -2.236 2.515 399 HA ALA 55 HA ALA 55 -4.276 -2.874 5.318 400 HB1 ALA 55 HB1 ALA 55 -1.904 -3.503 4.732 401 HB2 ALA 55 HB2 ALA 55 -3.121 -4.201 3.631 402 HB3 ALA 55 HB3 ALA 55 -2.156 -2.791 3.130 403 H HIS 56 H HIS 56 -2.839 -0.183 3.419 404 HA HIS 56 HA HIS 56 -1.230 0.681 5.666 405 HB2 HIS 56 HB2 HIS 56 -1.860 2.218 3.138 406 HB3 HIS 56 HB3 HIS 56 -0.489 2.447 4.222 407 HD1 HIS 56 HD1 HIS 56 0.039 1.919 1.213 408 HD2 HIS 56 HD2 HIS 56 -0.285 -1.114 4.111 409 HE1 HIS 56 HE1 HIS 56 1.225 -0.168 0.266 410 H LYS 57 H LYS 57 -4.382 1.813 4.363 411 HA LYS 57 HA LYS 57 -4.673 3.937 6.317 412 HB2 LYS 57 HB2 LYS 57 -6.915 4.140 5.661 413 HB3 LYS 57 HB3 LYS 57 -5.972 3.820 4.199 414 HG2 LYS 57 HG2 LYS 57 -6.732 1.484 4.225 415 HG3 LYS 57 HG3 LYS 57 -7.698 1.781 5.666 416 HD2 LYS 57 HD2 LYS 57 -8.142 3.191 2.999 417 HD3 LYS 57 HD3 LYS 57 -8.985 1.734 3.541 418 HE2 LYS 57 HE2 LYS 57 -9.589 3.099 5.669 419 HE3 LYS 57 HE3 LYS 57 -9.136 4.530 4.732 420 HZ1 LYS 57 HZ1 LYS 57 -11.526 3.975 4.618 421 HZ2 LYS 57 HZ2 LYS 57 -11.185 2.526 3.938 422 HZ3 LYS 57 HZ3 LYS 57 -10.865 3.937 3.122 423 H GLU 58 H GLU 58 -5.653 0.480 6.341 424 HA GLU 58 HA GLU 58 -6.827 0.771 8.979 425 HB2 GLU 58 HB2 GLU 58 -6.171 -1.711 7.374 426 HB3 GLU 58 HB3 GLU 58 -6.985 -1.693 8.949 427 HG2 GLU 58 HG2 GLU 58 -8.570 0.093 7.867 428 HG3 GLU 58 HG3 GLU 58 -7.976 -0.503 6.337 429 H SER 59 H SER 59 -3.549 -0.124 7.959 430 HA SER 59 HA SER 59 -2.630 -0.734 10.612 431 HB2 SER 59 HB2 SER 59 -1.324 -1.221 8.572 432 HB3 SER 59 HB3 SER 59 -1.058 0.521 8.336 433 HG SER 59 HG SER 59 0.633 -0.574 9.478 434 H MET 60 H MET 60 -2.590 2.494 8.815 435 HA MET 60 HA MET 60 -1.791 3.794 11.278 436 HB2 MET 60 HB2 MET 60 -3.050 5.055 8.830 437 HB3 MET 60 HB3 MET 60 -2.329 5.909 10.201 438 HG2 MET 60 HG2 MET 60 -0.964 4.325 8.058 439 HG3 MET 60 HG3 MET 60 -0.684 5.981 8.627 440 HE1 MET 60 HE1 MET 60 1.626 3.981 7.862 441 HE2 MET 60 HE2 MET 60 1.923 5.627 8.471 442 HE3 MET 60 HE3 MET 60 2.776 4.249 9.188 443 H ARG 61 H ARG 61 -5.042 2.938 10.131 444 HA ARG 61 HA ARG 61 -6.466 4.379 12.165 445 HB2 ARG 61 HB2 ARG 61 -7.494 3.368 10.197 446 HB3 ARG 61 HB3 ARG 61 -7.130 1.757 10.800 447 HG2 ARG 61 HG2 ARG 61 -8.807 3.675 12.448 448 HG3 ARG 61 HG3 ARG 61 -9.523 2.818 11.088 449 HD2 ARG 61 HD2 ARG 61 -8.240 1.475 13.490 450 HD3 ARG 61 HD3 ARG 61 -9.964 1.654 13.188 451 HE ARG 61 HE ARG 61 -9.515 0.351 11.032 452 HH11 ARG 61 HH11 ARG 61 -7.657 -0.264 14.021 453 HH12 ARG 61 HH12 ARG 61 -7.299 -1.916 13.568 454 HH21 ARG 61 HH21 ARG 61 -9.020 -1.783 10.502 455 HH22 ARG 61 HH22 ARG 61 -8.067 -2.770 11.587 456 H ALA 62 H ALA 62 -4.880 1.148 12.215 457 HA ALA 62 HA ALA 62 -5.539 0.595 14.956 458 HB1 ALA 62 HB1 ALA 62 -3.256 -0.480 13.254 459 HB2 ALA 62 HB2 ALA 62 -3.864 -1.173 14.764 460 HB3 ALA 62 HB3 ALA 62 -4.906 -1.139 13.330 461 H LEU 63 H LEU 63 -3.247 2.909 13.688 462 HA LEU 63 HA LEU 63 -1.998 3.151 16.395 463 HB2 LEU 63 HB2 LEU 63 -1.301 4.421 13.725 464 HB3 LEU 63 HB3 LEU 63 -0.655 4.970 15.253 465 HG LEU 63 HG LEU 63 1.013 3.677 14.331 466 HD11 LEU 63 HD11 LEU 63 -0.270 1.780 16.327 467 HD12 LEU 63 HD12 LEU 63 0.614 3.264 16.766 468 HD13 LEU 63 HD13 LEU 63 1.443 1.945 15.928 469 HD21 LEU 63 HD21 LEU 63 -0.273 2.436 12.668 470 HD22 LEU 63 HD22 LEU 63 -0.948 1.403 13.930 471 HD23 LEU 63 HD23 LEU 63 0.790 1.348 13.593 472 H GLY 64 H GLY 64 -4.786 4.238 14.961 473 HA2 GLY 64 HA2 GLY 64 -6.335 5.718 15.759 474 HA3 GLY 64 HA3 GLY 64 -5.256 6.098 17.101 475 H PHE 65 H PHE 65 -3.885 6.639 13.931 476 HA PHE 65 HA PHE 65 -4.608 9.533 14.068 477 HB2 PHE 65 HB2 PHE 65 -2.316 10.140 13.434 478 HB3 PHE 65 HB3 PHE 65 -2.587 9.568 15.049 479 HD1 PHE 65 HD2 PHE 65 -1.524 7.894 11.738 480 HD2 PHE 65 HD1 PHE 65 -0.820 8.483 15.969 481 HE1 PHE 65 HE2 PHE 65 0.572 6.640 11.579 482 HE2 PHE 65 HE1 PHE 65 1.277 7.183 15.786 483 HZ PHE 65 HZ PHE 65 1.986 6.266 13.586 484 H LYS 66 H LYS 66 -6.097 7.937 12.569 485 HA LYS 66 HA LYS 66 -5.429 8.925 9.838 486 HB2 LYS 66 HB2 LYS 66 -4.477 6.668 10.186 487 HB3 LYS 66 HB3 LYS 66 -6.040 6.002 10.507 488 HG2 LYS 66 HG2 LYS 66 -5.436 5.473 8.265 489 HG3 LYS 66 HG3 LYS 66 -6.670 6.703 8.087 490 HD2 LYS 66 HD2 LYS 66 -3.762 7.565 8.129 491 HD3 LYS 66 HD3 LYS 66 -4.378 6.707 6.712 492 HE2 LYS 66 HE2 LYS 66 -6.141 8.348 6.387 493 HE3 LYS 66 HE3 LYS 66 -5.631 9.255 7.817 494 HZ1 LYS 66 HZ1 LYS 66 -4.771 10.097 5.637 495 HZ2 LYS 66 HZ2 LYS 66 -3.880 8.761 5.471 496 HZ3 LYS 66 HZ3 LYS 66 -3.561 9.782 6.720 497 H ILE 67 H ILE 67 -8.041 7.484 11.851 498 HA ILE 67 HA ILE 67 -10.033 8.610 9.917 499 HB ILE 67 HB ILE 67 -10.316 5.808 11.042 500 HG12 ILE 67 HG12 ILE 67 -8.947 6.668 8.468 501 HG13 ILE 67 HG13 ILE 67 -8.334 5.627 9.747 502 HG21 ILE 67 HG21 ILE 67 -11.601 7.237 8.665 503 HG22 ILE 67 HG22 ILE 67 -12.033 5.636 9.300 504 HG23 ILE 67 HG23 ILE 67 -12.348 7.064 10.266 505 HD11 ILE 67 HD11 ILE 67 -10.071 3.907 9.112 506 HD12 ILE 67 HD12 ILE 67 -10.454 4.918 7.697 507 HD13 ILE 67 HD13 ILE 67 -8.831 4.237 7.884 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 52.410 -17.489 39.366 2 H2 GLY 1 H2 GLY 1 53.823 -17.582 38.533 3 H3 GLY 1 H3 GLY 1 52.416 -18.091 37.835 4 HA2 GLY 1 HA2 GLY 1 51.545 -15.849 37.848 5 HA3 GLY 1 HA3 GLY 1 53.062 -15.318 38.592 6 H SER 2 H SER 2 51.634 -16.713 35.627 7 HA SER 2 HA SER 2 53.867 -16.703 33.933 8 HB2 SER 2 HB2 SER 2 51.043 -15.960 33.105 9 HB3 SER 2 HB3 SER 2 52.304 -16.673 32.095 10 HG SER 2 HG SER 2 52.253 -18.458 33.694 11 H PHE 3 H PHE 3 54.492 -15.328 32.148 12 HA PHE 3 HA PHE 3 54.559 -12.480 32.952 13 HB2 PHE 3 HB2 PHE 3 56.175 -13.833 30.796 14 HB3 PHE 3 HB3 PHE 3 56.501 -12.300 31.580 15 HD1 PHE 3 HD2 PHE 3 55.933 -13.881 34.498 16 HD2 PHE 3 HD1 PHE 3 58.569 -14.259 31.103 17 HE1 PHE 3 HE2 PHE 3 57.581 -15.078 35.902 18 HE2 PHE 3 HE1 PHE 3 60.229 -15.413 32.535 19 HZ PHE 3 HZ PHE 3 59.734 -15.837 34.936 20 H THR 4 H THR 4 54.378 -10.786 31.372 21 HA THR 4 HA THR 4 52.711 -11.415 28.956 22 HB THR 4 HB THR 4 51.216 -10.593 30.615 23 HG1 THR 4 HG1 THR 4 50.568 -9.696 28.849 24 HG21 THR 4 HG21 THR 4 52.586 -9.471 32.219 25 HG22 THR 4 HG22 THR 4 51.495 -8.254 31.545 26 HG23 THR 4 HG23 THR 4 53.194 -8.328 31.013 27 H MET 5 H MET 5 52.744 -9.789 27.241 28 HA MET 5 HA MET 5 55.486 -9.414 26.537 29 HB2 MET 5 HB2 MET 5 54.737 -8.986 24.344 30 HB3 MET 5 HB3 MET 5 53.695 -10.238 24.992 31 HG2 MET 5 HG2 MET 5 52.982 -7.281 24.774 32 HG3 MET 5 HG3 MET 5 52.534 -8.509 23.612 33 HE1 MET 5 HE1 MET 5 51.332 -10.899 24.726 34 HE2 MET 5 HE2 MET 5 49.661 -10.459 25.135 35 HE3 MET 5 HE3 MET 5 50.400 -9.844 23.641 36 HA PRO 6 HA PRO 6 55.650 -4.837 26.704 37 HB2 PRO 6 HB2 PRO 6 58.048 -4.393 25.573 38 HB3 PRO 6 HB3 PRO 6 57.923 -5.278 27.125 39 HG2 PRO 6 HG2 PRO 6 58.224 -6.452 24.341 40 HG3 PRO 6 HG3 PRO 6 59.162 -6.850 25.814 41 HD2 PRO 6 HD2 PRO 6 56.924 -8.259 24.939 42 HD3 PRO 6 HD3 PRO 6 57.451 -8.189 26.647 43 H GLY 7 H GLY 7 55.674 -3.025 25.162 44 HA2 GLY 7 HA2 GLY 7 55.856 -2.090 22.991 45 HA3 GLY 7 HA3 GLY 7 55.551 -3.666 22.269 46 H LEU 8 H LEU 8 53.607 -2.142 24.761 47 HA LEU 8 HA LEU 8 51.150 -2.703 23.326 48 HB2 LEU 8 HB2 LEU 8 51.575 -1.251 25.959 49 HB3 LEU 8 HB3 LEU 8 50.031 -1.726 25.287 50 HG LEU 8 HG LEU 8 50.441 -3.269 26.913 51 HD11 LEU 8 HD11 LEU 8 51.356 -4.728 24.409 52 HD12 LEU 8 HD12 LEU 8 49.668 -4.320 24.809 53 HD13 LEU 8 HD13 LEU 8 50.587 -5.428 25.843 54 HD21 LEU 8 HD21 LEU 8 53.190 -3.981 25.868 55 HD22 LEU 8 HD22 LEU 8 52.398 -4.519 27.349 56 HD23 LEU 8 HD23 LEU 8 52.893 -2.831 27.201 57 H VAL 9 H VAL 9 51.985 -1.269 21.454 58 HA VAL 9 HA VAL 9 50.599 1.363 21.566 59 HB VAL 9 HB VAL 9 52.331 2.224 19.953 60 HG11 VAL 9 HG11 VAL 9 53.783 3.007 21.758 61 HG12 VAL 9 HG12 VAL 9 52.093 3.001 22.280 62 HG13 VAL 9 HG13 VAL 9 53.195 1.718 22.829 63 HG21 VAL 9 HG21 VAL 9 53.591 0.124 19.465 64 HG22 VAL 9 HG22 VAL 9 54.621 1.391 20.129 65 HG23 VAL 9 HG23 VAL 9 54.106 0.051 21.164 66 H ASP 10 H ASP 10 48.896 1.043 20.457 67 HA ASP 10 HA ASP 10 48.847 -0.664 18.025 68 HB2 ASP 10 HB2 ASP 10 46.589 0.534 19.665 69 HB3 ASP 10 HB3 ASP 10 46.409 -0.592 18.322 70 H SER 11 H SER 11 49.747 0.608 16.444 71 HA SER 11 HA SER 11 48.449 3.222 15.783 72 HB2 SER 11 HB2 SER 11 50.685 4.125 15.316 73 HB3 SER 11 HB3 SER 11 50.479 3.626 17.000 74 HG SER 11 HG SER 11 52.418 2.875 16.343 75 H ASN 12 H ASN 12 48.164 0.475 14.552 76 HA ASN 12 HA ASN 12 49.161 0.539 11.870 77 HB2 ASN 12 HB2 ASN 12 48.241 -1.422 13.172 78 HB3 ASN 12 HB3 ASN 12 46.633 -0.720 13.039 79 HD21 ASN 12 HD21 ASN 12 46.267 -2.942 12.209 80 HD22 ASN 12 HD22 ASN 12 46.665 -3.313 10.542 81 HA PRO 13 HA PRO 13 46.376 3.862 10.397 82 HB2 PRO 13 HB2 PRO 13 46.612 3.461 7.665 83 HB3 PRO 13 HB3 PRO 13 47.801 4.340 8.670 84 HG2 PRO 13 HG2 PRO 13 47.874 1.431 7.818 85 HG3 PRO 13 HG3 PRO 13 49.191 2.640 7.722 86 HD2 PRO 13 HD2 PRO 13 49.104 0.901 9.759 87 HD3 PRO 13 HD3 PRO 13 49.507 2.612 10.079 88 H ALA 14 H ALA 14 44.273 4.007 9.448 89 HA ALA 14 HA ALA 14 42.593 1.878 10.031 90 HB1 ALA 14 HB1 ALA 14 41.973 4.287 9.895 91 HB2 ALA 14 HB2 ALA 14 41.999 4.166 8.120 92 HB3 ALA 14 HB3 ALA 14 40.837 3.213 9.073 93 HA PRO 15 HA PRO 15 43.276 -0.720 6.504 94 HB2 PRO 15 HB2 PRO 15 41.584 -2.779 7.025 95 HB3 PRO 15 HB3 PRO 15 42.941 -2.382 8.126 96 HG2 PRO 15 HG2 PRO 15 40.030 -1.520 8.358 97 HG3 PRO 15 HG3 PRO 15 41.046 -2.309 9.609 98 HD2 PRO 15 HD2 PRO 15 40.738 0.401 9.493 99 HD3 PRO 15 HD3 PRO 15 42.293 -0.356 9.970 100 HA PRO 16 HA PRO 16 40.073 -0.159 3.376 101 HB2 PRO 16 HB2 PRO 16 40.158 -2.475 1.907 102 HB3 PRO 16 HB3 PRO 16 41.418 -1.203 1.831 103 HG2 PRO 16 HG2 PRO 16 41.432 -3.741 3.509 104 HG3 PRO 16 HG3 PRO 16 42.729 -3.127 2.431 105 HD2 PRO 16 HD2 PRO 16 42.796 -2.667 5.091 106 HD3 PRO 16 HD3 PRO 16 43.284 -1.386 3.945 107 H GLU 17 H GLU 17 37.961 -0.702 2.926 108 HA GLU 17 HA GLU 17 36.428 -1.769 5.041 109 HB2 GLU 17 HB2 GLU 17 35.583 -0.039 3.631 110 HB3 GLU 17 HB3 GLU 17 35.723 -1.036 2.178 111 HG2 GLU 17 HG2 GLU 17 33.929 -2.485 2.894 112 HG3 GLU 17 HG3 GLU 17 33.917 -1.780 4.510 113 H SER 18 H SER 18 35.522 -3.600 5.509 114 HA SER 18 HA SER 18 35.757 -5.987 3.729 115 HB2 SER 18 HB2 SER 18 37.170 -6.030 5.701 116 HB3 SER 18 HB3 SER 18 35.785 -5.704 6.747 117 HG SER 18 HG SER 18 35.989 -8.027 5.083 118 H GLN 19 H GLN 19 33.968 -7.588 4.012 119 HA GLN 19 HA GLN 19 31.395 -6.340 3.766 120 HB2 GLN 19 HB2 GLN 19 32.079 -9.277 4.203 121 HB3 GLN 19 HB3 GLN 19 30.522 -8.646 3.665 122 HG2 GLN 19 HG2 GLN 19 33.153 -8.486 2.139 123 HG3 GLN 19 HG3 GLN 19 31.804 -9.542 1.787 124 HE21 GLN 19 HE21 GLN 19 33.172 -6.455 1.118 125 HE22 GLN 19 HE22 GLN 19 31.794 -5.817 0.226 126 H GLU 20 H GLU 20 30.236 -5.465 5.354 127 HA GLU 20 HA GLU 20 29.871 -6.909 7.928 128 HB2 GLU 20 HB2 GLU 20 30.662 -3.991 7.578 129 HB3 GLU 20 HB3 GLU 20 29.941 -4.638 9.055 130 HG2 GLU 20 HG2 GLU 20 31.811 -6.229 9.314 131 HG3 GLU 20 HG3 GLU 20 32.564 -5.598 7.841 132 H LYS 21 H LYS 21 27.950 -6.500 9.023 133 HA LYS 21 HA LYS 21 25.636 -5.771 7.418 134 HB2 LYS 21 HB2 LYS 21 26.007 -6.429 10.372 135 HB3 LYS 21 HB3 LYS 21 24.485 -5.861 9.702 136 HG2 LYS 21 HG2 LYS 21 24.170 -8.112 9.673 137 HG3 LYS 21 HG3 LYS 21 24.617 -7.772 8.004 138 HD2 LYS 21 HD2 LYS 21 26.913 -8.644 8.477 139 HD3 LYS 21 HD3 LYS 21 26.431 -8.925 10.170 140 HE2 LYS 21 HE2 LYS 21 24.538 -10.379 9.268 141 HE3 LYS 21 HE3 LYS 21 25.270 -10.226 7.664 142 HZ1 LYS 21 HZ1 LYS 21 26.011 -12.235 8.711 143 HZ2 LYS 21 HZ2 LYS 21 26.516 -11.447 10.067 144 HZ3 LYS 21 HZ3 LYS 21 27.319 -11.236 8.656 145 H LYS 22 H LYS 22 24.162 -4.138 7.784 146 HA LYS 22 HA LYS 22 25.506 -1.501 8.219 147 HB2 LYS 22 HB2 LYS 22 23.246 -2.403 6.394 148 HB3 LYS 22 HB3 LYS 22 23.779 -0.742 6.519 149 HG2 LYS 22 HG2 LYS 22 25.495 -3.065 5.519 150 HG3 LYS 22 HG3 LYS 22 24.671 -1.860 4.546 151 HD2 LYS 22 HD2 LYS 22 26.718 -0.916 4.523 152 HD3 LYS 22 HD3 LYS 22 26.087 -0.123 5.959 153 HE2 LYS 22 HE2 LYS 22 27.256 -1.911 7.346 154 HE3 LYS 22 HE3 LYS 22 27.923 -2.575 5.852 155 HZ1 LYS 22 HZ1 LYS 22 29.448 -0.966 6.980 156 HZ2 LYS 22 HZ2 LYS 22 28.326 0.208 6.796 157 HZ3 LYS 22 HZ3 LYS 22 29.043 -0.442 5.476 158 HA PRO 23 HA PRO 23 22.750 0.183 11.248 159 HB2 PRO 23 HB2 PRO 23 22.072 2.204 9.090 160 HB3 PRO 23 HB3 PRO 23 22.355 2.475 10.839 161 HG2 PRO 23 HG2 PRO 23 24.346 2.945 9.076 162 HG3 PRO 23 HG3 PRO 23 24.703 2.062 10.597 163 HD2 PRO 23 HD2 PRO 23 24.324 0.946 7.818 164 HD3 PRO 23 HD3 PRO 23 25.482 0.474 9.088 165 H LEU 24 H LEU 24 20.556 0.281 11.880 166 HA LEU 24 HA LEU 24 18.980 -1.597 10.285 167 HB2 LEU 24 HB2 LEU 24 18.736 -0.546 13.121 168 HB3 LEU 24 HB3 LEU 24 17.478 -1.506 12.355 169 HG LEU 24 HG LEU 24 19.195 -3.318 11.903 170 HD11 LEU 24 HD11 LEU 24 20.843 -1.688 13.892 171 HD12 LEU 24 HD12 LEU 24 21.310 -2.129 12.228 172 HD13 LEU 24 HD13 LEU 24 21.151 -3.381 13.449 173 HD21 LEU 24 HD21 LEU 24 18.576 -2.555 14.781 174 HD22 LEU 24 HD22 LEU 24 19.042 -4.176 14.212 175 HD23 LEU 24 HD23 LEU 24 17.519 -3.461 13.679 176 H LYS 25 H LYS 25 16.879 -1.450 9.634 177 HA LYS 25 HA LYS 25 16.037 1.150 8.643 178 HB2 LYS 25 HB2 LYS 25 14.605 -1.529 8.530 179 HB3 LYS 25 HB3 LYS 25 14.174 -0.084 7.616 180 HG2 LYS 25 HG2 LYS 25 16.335 -0.181 6.403 181 HG3 LYS 25 HG3 LYS 25 16.813 -1.600 7.356 182 HD2 LYS 25 HD2 LYS 25 14.788 -2.808 6.475 183 HD3 LYS 25 HD3 LYS 25 14.492 -1.442 5.386 184 HE2 LYS 25 HE2 LYS 25 16.648 -1.790 4.293 185 HE3 LYS 25 HE3 LYS 25 17.117 -3.001 5.497 186 HZ1 LYS 25 HZ1 LYS 25 15.397 -4.467 4.672 187 HZ2 LYS 25 HZ2 LYS 25 16.323 -3.994 3.420 188 HZ3 LYS 25 HZ3 LYS 25 14.833 -3.336 3.625 189 HA PRO 26 HA PRO 26 13.824 2.095 12.410 190 HB2 PRO 26 HB2 PRO 26 12.472 4.370 11.676 191 HB3 PRO 26 HB3 PRO 26 14.232 4.317 11.984 192 HG2 PRO 26 HG2 PRO 26 12.794 4.128 9.313 193 HG3 PRO 26 HG3 PRO 26 14.186 5.172 9.743 194 HD2 PRO 26 HD2 PRO 26 14.529 2.804 8.460 195 HD3 PRO 26 HD3 PRO 26 15.687 3.337 9.717 196 H CYS 27 H CYS 27 11.855 1.745 13.343 197 HA CYS 27 HA CYS 27 9.666 0.712 11.590 198 HB2 CYS 27 HB2 CYS 27 10.787 -0.378 14.198 199 HB3 CYS 27 HB3 CYS 27 9.362 -1.016 13.354 200 HG CYS 27 HG CYS 27 12.421 -0.615 12.092 201 H CYS 28 H CYS 28 9.715 3.404 12.471 202 HA CYS 28 HA CYS 28 7.762 3.766 14.612 203 HB2 CYS 28 HB2 CYS 28 8.703 5.668 12.421 204 HB3 CYS 28 HB3 CYS 28 7.802 6.100 13.880 205 HG CYS 28 HG CYS 28 9.718 4.826 15.454 206 H ALA 29 H ALA 29 7.603 2.944 11.247 207 HA ALA 29 HA ALA 29 4.635 2.961 11.306 208 HB1 ALA 29 HB1 ALA 29 4.614 3.897 9.036 209 HB2 ALA 29 HB2 ALA 29 5.487 4.993 10.114 210 HB3 ALA 29 HB3 ALA 29 6.395 3.941 9.008 211 H SER 30 H SER 30 4.604 1.953 8.540 212 HA SER 30 HA SER 30 5.652 -0.829 8.914 213 HB2 SER 30 HB2 SER 30 3.618 -1.527 7.634 214 HB3 SER 30 HB3 SER 30 3.337 -0.890 9.258 215 HG SER 30 HG SER 30 1.870 -0.005 7.890 216 HA PRO 31 HA PRO 31 7.528 1.405 5.288 217 HB2 PRO 31 HB2 PRO 31 10.052 0.251 5.410 218 HB3 PRO 31 HB3 PRO 31 9.534 1.698 6.322 219 HG2 PRO 31 HG2 PRO 31 9.550 -1.189 7.272 220 HG3 PRO 31 HG3 PRO 31 10.214 0.258 8.106 221 HD2 PRO 31 HD2 PRO 31 7.791 -0.650 8.773 222 HD3 PRO 31 HD3 PRO 31 8.028 1.105 8.542 223 H GLU 32 H GLU 32 7.452 -2.138 5.880 224 HA GLU 32 HA GLU 32 8.161 -2.803 3.136 225 HB2 GLU 32 HB2 GLU 32 6.674 -4.463 5.221 226 HB3 GLU 32 HB3 GLU 32 7.234 -5.050 3.668 227 HG2 GLU 32 HG2 GLU 32 8.963 -4.003 5.927 228 HG3 GLU 32 HG3 GLU 32 8.785 -5.691 5.411 229 H THR 33 H THR 33 5.059 -2.162 4.802 230 HA THR 33 HA THR 33 3.494 -2.878 2.481 231 HB THR 33 HB THR 33 1.620 -1.734 3.422 232 HG1 THR 33 HG1 THR 33 3.377 -0.657 5.379 233 HG21 THR 33 HG21 THR 33 1.334 -2.802 5.563 234 HG22 THR 33 HG22 THR 33 3.086 -3.066 5.722 235 HG23 THR 33 HG23 THR 33 2.160 -3.907 4.456 236 H LYS 34 H LYS 34 5.002 0.139 3.556 237 HA LYS 34 HA LYS 34 4.000 1.891 1.510 238 HB2 LYS 34 HB2 LYS 34 4.903 3.021 3.286 239 HB3 LYS 34 HB3 LYS 34 6.202 1.868 3.529 240 HG2 LYS 34 HG2 LYS 34 7.474 2.771 1.669 241 HG3 LYS 34 HG3 LYS 34 6.170 3.920 1.287 242 HD2 LYS 34 HD2 LYS 34 6.508 5.098 3.378 243 HD3 LYS 34 HD3 LYS 34 7.519 3.801 4.020 244 HE2 LYS 34 HE2 LYS 34 8.931 5.654 3.419 245 HE3 LYS 34 HE3 LYS 34 9.273 4.264 2.375 246 HZ1 LYS 34 HZ1 LYS 34 8.247 5.292 0.584 247 HZ2 LYS 34 HZ2 LYS 34 9.072 6.515 1.268 248 HZ3 LYS 34 HZ3 LYS 34 7.457 6.441 1.511 249 H LYS 35 H LYS 35 7.098 0.062 1.601 250 HA LYS 35 HA LYS 35 7.861 0.656 -1.111 251 HB2 LYS 35 HB2 LYS 35 8.596 -1.510 0.882 252 HB3 LYS 35 HB3 LYS 35 8.994 -1.731 -0.805 253 HG2 LYS 35 HG2 LYS 35 10.920 -0.841 -0.057 254 HG3 LYS 35 HG3 LYS 35 10.142 0.585 -0.733 255 HD2 LYS 35 HD2 LYS 35 9.613 1.410 1.528 256 HD3 LYS 35 HD3 LYS 35 10.110 -0.153 2.221 257 HE2 LYS 35 HE2 LYS 35 12.417 0.281 1.140 258 HE3 LYS 35 HE3 LYS 35 11.883 1.952 0.914 259 HZ1 LYS 35 HZ1 LYS 35 13.100 1.654 3.016 260 HZ2 LYS 35 HZ2 LYS 35 12.013 0.511 3.509 261 HZ3 LYS 35 HZ3 LYS 35 11.573 2.105 3.318 262 H ALA 36 H ALA 36 5.937 -2.124 0.141 263 HA ALA 36 HA ALA 36 5.578 -3.329 -2.414 264 HB1 ALA 36 HB1 ALA 36 3.857 -3.495 0.094 265 HB2 ALA 36 HB2 ALA 36 3.787 -4.609 -1.290 266 HB3 ALA 36 HB3 ALA 36 5.255 -4.520 -0.302 267 H ARG 37 H ARG 37 3.555 -0.877 -0.762 268 HA ARG 37 HA ARG 37 1.436 -0.731 -2.659 269 HB2 ARG 37 HB2 ARG 37 1.339 0.268 -0.404 270 HB3 ARG 37 HB3 ARG 37 2.602 1.414 -0.854 271 HG2 ARG 37 HG2 ARG 37 1.081 2.368 -2.600 272 HG3 ARG 37 HG3 ARG 37 -0.162 1.202 -2.145 273 HD2 ARG 37 HD2 ARG 37 -0.517 3.476 -1.166 274 HD3 ARG 37 HD3 ARG 37 -0.396 2.196 0.044 275 HE ARG 37 HE ARG 37 1.411 3.222 0.941 276 HH11 ARG 37 HH11 ARG 37 1.182 4.478 -2.394 277 HH12 ARG 37 HH12 ARG 37 2.553 5.545 -2.183 278 HH21 ARG 37 HH21 ARG 37 3.174 4.584 1.151 279 HH22 ARG 37 HH22 ARG 37 3.680 5.604 -0.177 280 H ASP 38 H ASP 38 4.455 1.228 -2.416 281 HA ASP 38 HA ASP 38 3.947 2.792 -4.761 282 HB2 ASP 38 HB2 ASP 38 5.345 3.414 -2.797 283 HB3 ASP 38 HB3 ASP 38 6.529 2.193 -3.263 284 H ALA 39 H ALA 39 5.770 -0.268 -4.251 285 HA ALA 39 HA ALA 39 6.648 -0.557 -6.969 286 HB1 ALA 39 HB1 ALA 39 6.143 -2.589 -4.767 287 HB2 ALA 39 HB2 ALA 39 6.999 -2.914 -6.293 288 HB3 ALA 39 HB3 ALA 39 7.669 -1.762 -5.122 289 H CYS 40 H CYS 40 3.596 -1.651 -5.327 290 HA CYS 40 HA CYS 40 2.541 -2.946 -7.668 291 HB2 CYS 40 HB2 CYS 40 1.765 -3.263 -5.320 292 HB3 CYS 40 HB3 CYS 40 1.040 -1.657 -5.348 293 H ILE 41 H ILE 41 2.151 0.414 -6.430 294 HA ILE 41 HA ILE 41 0.617 1.398 -8.621 295 HB ILE 41 HB ILE 41 2.281 2.628 -6.454 296 HG12 ILE 41 HG12 ILE 41 0.182 3.979 -6.171 297 HG13 ILE 41 HG13 ILE 41 -0.517 3.156 -7.564 298 HG21 ILE 41 HG21 ILE 41 3.043 4.002 -8.337 299 HG22 ILE 41 HG22 ILE 41 1.350 4.244 -8.866 300 HG23 ILE 41 HG23 ILE 41 1.927 4.909 -7.328 301 HD11 ILE 41 HD11 ILE 41 0.217 1.906 -4.891 302 HD12 ILE 41 HD12 ILE 41 -1.400 2.269 -5.488 303 HD13 ILE 41 HD13 ILE 41 -0.448 1.008 -6.283 304 H ILE 42 H ILE 42 4.179 0.913 -8.399 305 HA ILE 42 HA ILE 42 4.535 1.954 -11.125 306 HB ILE 42 HB ILE 42 6.312 0.357 -9.288 307 HG12 ILE 42 HG12 ILE 42 6.068 2.740 -8.757 308 HG13 ILE 42 HG13 ILE 42 7.696 2.353 -9.290 309 HG21 ILE 42 HG21 ILE 42 8.157 0.699 -10.955 310 HG22 ILE 42 HG22 ILE 42 6.953 -0.489 -11.437 311 HG23 ILE 42 HG23 ILE 42 6.928 1.131 -12.165 312 HD11 ILE 42 HD11 ILE 42 7.029 4.494 -10.170 313 HD12 ILE 42 HD12 ILE 42 7.199 3.361 -11.518 314 HD13 ILE 42 HD13 ILE 42 5.582 3.815 -10.920 315 H GLU 43 H GLU 43 4.116 -1.416 -9.921 316 HA GLU 43 HA GLU 43 4.496 -2.498 -12.561 317 HB2 GLU 43 HB2 GLU 43 3.505 -3.688 -9.955 318 HB3 GLU 43 HB3 GLU 43 3.656 -4.623 -11.456 319 HG2 GLU 43 HG2 GLU 43 6.110 -3.680 -11.507 320 HG3 GLU 43 HG3 GLU 43 5.850 -3.397 -9.781 321 H LYS 44 H LYS 44 1.478 -1.747 -10.818 322 HA LYS 44 HA LYS 44 0.024 -2.142 -13.381 323 HB2 LYS 44 HB2 LYS 44 -1.807 -3.350 -12.263 324 HB3 LYS 44 HB3 LYS 44 -0.307 -4.260 -12.447 325 HG2 LYS 44 HG2 LYS 44 0.186 -3.702 -9.974 326 HG3 LYS 44 HG3 LYS 44 -1.460 -3.066 -9.904 327 HD2 LYS 44 HD2 LYS 44 -1.531 -5.309 -9.077 328 HD3 LYS 44 HD3 LYS 44 -2.282 -5.350 -10.681 329 HE2 LYS 44 HE2 LYS 44 -0.090 -6.142 -11.639 330 HE3 LYS 44 HE3 LYS 44 0.603 -6.118 -10.011 331 HZ1 LYS 44 HZ1 LYS 44 -1.043 -7.808 -9.380 332 HZ2 LYS 44 HZ2 LYS 44 -0.066 -8.310 -10.600 333 HZ3 LYS 44 HZ3 LYS 44 -1.607 -7.878 -10.939 334 H GLY 45 H GLY 45 0.257 -0.232 -10.530 335 HA2 GLY 45 HA2 GLY 45 -0.535 2.031 -10.678 336 HA3 GLY 45 HA3 GLY 45 -1.720 1.506 -11.876 337 H GLU 46 H GLU 46 -2.385 3.242 -9.858 338 HA GLU 46 HA GLU 46 -3.088 2.319 -7.339 339 HB2 GLU 46 HB2 GLU 46 -4.576 4.400 -8.997 340 HB3 GLU 46 HB3 GLU 46 -4.640 4.236 -7.240 341 HG2 GLU 46 HG2 GLU 46 -2.270 4.833 -7.056 342 HG3 GLU 46 HG3 GLU 46 -2.127 4.916 -8.823 343 H GLU 47 H GLU 47 -5.194 2.340 -10.218 344 HA GLU 47 HA GLU 47 -7.560 1.407 -8.898 345 HB2 GLU 47 HB2 GLU 47 -8.483 1.281 -11.126 346 HB3 GLU 47 HB3 GLU 47 -7.490 2.734 -10.980 347 HG2 GLU 47 HG2 GLU 47 -5.580 1.384 -12.066 348 HG3 GLU 47 HG3 GLU 47 -6.781 0.128 -12.379 349 H HIS 48 H HIS 48 -4.782 -0.378 -9.654 350 HA HIS 48 HA HIS 48 -6.281 -2.966 -9.596 351 HB2 HIS 48 HB2 HIS 48 -3.544 -2.377 -10.753 352 HB3 HIS 48 HB3 HIS 48 -4.371 -3.932 -10.798 353 HD1 HIS 48 HD1 HIS 48 -3.695 -1.165 -12.986 354 HD2 HIS 48 HD2 HIS 48 -7.036 -3.584 -12.160 355 HE1 HIS 48 HE1 HIS 48 -5.261 -0.945 -15.002 356 H CYS 49 H CYS 49 -4.771 -0.972 -7.526 357 HA CYS 49 HA CYS 49 -3.426 -3.113 -5.930 358 HB2 CYS 49 HB2 CYS 49 -2.743 -0.184 -6.243 359 HB3 CYS 49 HB3 CYS 49 -1.934 -1.286 -5.130 360 H GLY 50 H GLY 50 -6.313 -1.993 -5.772 361 HA2 GLY 50 HA2 GLY 50 -6.664 -0.217 -3.635 362 HA3 GLY 50 HA3 GLY 50 -7.843 -1.417 -4.161 363 H HIS 51 H HIS 51 -6.471 -3.816 -3.422 364 HA HIS 51 HA HIS 51 -7.086 -3.982 -0.638 365 HB2 HIS 51 HB2 HIS 51 -7.189 -5.816 -2.310 366 HB3 HIS 51 HB3 HIS 51 -5.432 -5.842 -2.385 367 HD1 HIS 51 HD1 HIS 51 -8.320 -6.900 -0.133 368 HD2 HIS 51 HD2 HIS 51 -4.135 -7.153 -0.482 369 HE1 HIS 51 HE1 HIS 51 -7.572 -8.683 1.528 370 H LEU 52 H LEU 52 -3.939 -3.510 -2.304 371 HA LEU 52 HA LEU 52 -2.338 -3.599 0.090 372 HB2 LEU 52 HB2 LEU 52 -1.826 -3.587 -2.651 373 HB3 LEU 52 HB3 LEU 52 -1.407 -1.954 -2.231 374 HG LEU 52 HG LEU 52 0.574 -3.240 -2.169 375 HD11 LEU 52 HD11 LEU 52 -0.211 -3.067 0.763 376 HD12 LEU 52 HD12 LEU 52 0.268 -1.678 -0.222 377 HD13 LEU 52 HD13 LEU 52 1.418 -2.997 0.062 378 HD21 LEU 52 HD21 LEU 52 0.891 -5.286 -0.868 379 HD22 LEU 52 HD22 LEU 52 -0.439 -5.482 -2.022 380 HD23 LEU 52 HD23 LEU 52 -0.790 -5.225 -0.302 381 H ILE 53 H ILE 53 -3.911 -0.966 -1.743 382 HA ILE 53 HA ILE 53 -2.868 1.215 -0.181 383 HB ILE 53 HB ILE 53 -5.359 0.998 -1.873 384 HG12 ILE 53 HG12 ILE 53 -2.743 2.442 -2.524 385 HG13 ILE 53 HG13 ILE 53 -2.957 0.742 -2.921 386 HG21 ILE 53 HG21 ILE 53 -4.016 3.452 -0.632 387 HG22 ILE 53 HG22 ILE 53 -5.281 3.519 -1.876 388 HG23 ILE 53 HG23 ILE 53 -5.652 2.834 -0.311 389 HD11 ILE 53 HD11 ILE 53 -4.667 3.022 -3.951 390 HD12 ILE 53 HD12 ILE 53 -3.543 2.002 -4.864 391 HD13 ILE 53 HD13 ILE 53 -5.018 1.294 -4.192 392 H GLU 54 H GLU 54 -5.857 -0.727 0.085 393 HA GLU 54 HA GLU 54 -6.912 0.429 2.473 394 HB2 GLU 54 HB2 GLU 54 -8.172 -1.110 0.998 395 HB3 GLU 54 HB3 GLU 54 -7.127 -2.439 1.504 396 HG2 GLU 54 HG2 GLU 54 -7.890 -2.004 3.905 397 HG3 GLU 54 HG3 GLU 54 -9.011 -0.803 3.265 398 H ALA 55 H ALA 55 -4.646 -2.335 2.019 399 HA ALA 55 HA ALA 55 -4.351 -2.962 4.760 400 HB1 ALA 55 HB1 ALA 55 -2.273 -4.130 4.058 401 HB2 ALA 55 HB2 ALA 55 -3.631 -4.484 2.967 402 HB3 ALA 55 HB3 ALA 55 -2.366 -3.334 2.477 403 H HIS 56 H HIS 56 -2.472 -0.738 2.739 404 HA HIS 56 HA HIS 56 -0.607 0.129 4.702 405 HB2 HIS 56 HB2 HIS 56 -0.424 0.360 2.238 406 HB3 HIS 56 HB3 HIS 56 -1.726 1.543 2.248 407 HD1 HIS 56 HD1 HIS 56 -1.055 4.041 3.026 408 HD2 HIS 56 HD2 HIS 56 2.000 1.142 3.081 409 HE1 HIS 56 HE1 HIS 56 1.134 5.308 3.270 410 H LYS 57 H LYS 57 -3.845 1.556 3.798 411 HA LYS 57 HA LYS 57 -3.508 3.655 5.781 412 HB2 LYS 57 HB2 LYS 57 -5.678 4.432 5.167 413 HB3 LYS 57 HB3 LYS 57 -4.741 3.943 3.744 414 HG2 LYS 57 HG2 LYS 57 -5.985 1.843 3.632 415 HG3 LYS 57 HG3 LYS 57 -6.986 2.318 4.990 416 HD2 LYS 57 HD2 LYS 57 -8.072 2.649 2.768 417 HD3 LYS 57 HD3 LYS 57 -7.966 4.136 3.718 418 HE2 LYS 57 HE2 LYS 57 -6.150 4.976 2.393 419 HE3 LYS 57 HE3 LYS 57 -5.907 3.410 1.603 420 HZ1 LYS 57 HZ1 LYS 57 -7.138 5.104 0.249 421 HZ2 LYS 57 HZ2 LYS 57 -8.391 5.011 1.309 422 HZ3 LYS 57 HZ3 LYS 57 -7.942 3.689 0.424 423 H GLU 58 H GLU 58 -5.236 0.564 5.927 424 HA GLU 58 HA GLU 58 -6.241 0.929 8.633 425 HB2 GLU 58 HB2 GLU 58 -5.529 -1.572 7.048 426 HB3 GLU 58 HB3 GLU 58 -6.216 -1.609 8.681 427 HG2 GLU 58 HG2 GLU 58 -8.184 -0.341 7.907 428 HG3 GLU 58 HG3 GLU 58 -7.532 -0.288 6.281 429 H SER 59 H SER 59 -3.179 -0.415 7.381 430 HA SER 59 HA SER 59 -1.920 -0.987 9.868 431 HB2 SER 59 HB2 SER 59 -1.045 -1.838 7.783 432 HB3 SER 59 HB3 SER 59 -0.830 -0.198 7.144 433 HG SER 59 HG SER 59 0.498 -1.109 9.487 434 H MET 60 H MET 60 -1.896 2.036 7.894 435 HA MET 60 HA MET 60 -0.361 3.477 9.840 436 HB2 MET 60 HB2 MET 60 -0.543 3.897 7.356 437 HB3 MET 60 HB3 MET 60 -2.088 4.696 7.681 438 HG2 MET 60 HG2 MET 60 -0.932 6.283 9.188 439 HG3 MET 60 HG3 MET 60 0.583 5.414 8.974 440 HE1 MET 60 HE1 MET 60 1.000 4.818 5.972 441 HE2 MET 60 HE2 MET 60 1.795 6.313 5.440 442 HE3 MET 60 HE3 MET 60 2.195 5.608 7.020 443 H ARG 61 H ARG 61 -3.907 3.030 9.548 444 HA ARG 61 HA ARG 61 -4.582 4.878 11.666 445 HB2 ARG 61 HB2 ARG 61 -6.263 3.985 10.245 446 HB3 ARG 61 HB3 ARG 61 -5.893 2.321 10.686 447 HG2 ARG 61 HG2 ARG 61 -6.671 2.696 12.979 448 HG3 ARG 61 HG3 ARG 61 -6.986 4.404 12.624 449 HD2 ARG 61 HD2 ARG 61 -8.745 3.789 11.040 450 HD3 ARG 61 HD3 ARG 61 -8.304 2.080 11.156 451 HE ARG 61 HE ARG 61 -9.370 1.882 13.188 452 HH11 ARG 61 HH11 ARG 61 -9.410 5.329 12.262 453 HH12 ARG 61 HH12 ARG 61 -10.572 5.746 13.502 454 HH21 ARG 61 HH21 ARG 61 -10.857 2.473 14.769 455 HH22 ARG 61 HH22 ARG 61 -11.390 4.134 14.915 456 H ALA 62 H ALA 62 -3.359 1.506 11.703 457 HA ALA 62 HA ALA 62 -3.351 1.335 14.565 458 HB1 ALA 62 HB1 ALA 62 -2.033 -0.596 14.372 459 HB2 ALA 62 HB2 ALA 62 -3.061 -0.597 12.931 460 HB3 ALA 62 HB3 ALA 62 -1.355 -0.111 12.823 461 H LEU 63 H LEU 63 -1.409 3.468 12.644 462 HA LEU 63 HA LEU 63 0.317 3.970 15.045 463 HB2 LEU 63 HB2 LEU 63 0.608 4.940 12.176 464 HB3 LEU 63 HB3 LEU 63 1.538 5.530 13.536 465 HG LEU 63 HG LEU 63 2.921 4.072 12.386 466 HD11 LEU 63 HD11 LEU 63 3.021 3.876 14.866 467 HD12 LEU 63 HD12 LEU 63 3.553 2.416 14.019 468 HD13 LEU 63 HD13 LEU 63 1.950 2.454 14.773 469 HD21 LEU 63 HD21 LEU 63 2.464 1.741 11.879 470 HD22 LEU 63 HD22 LEU 63 1.234 2.789 11.146 471 HD23 LEU 63 HD23 LEU 63 0.856 1.864 12.609 472 H GLY 64 H GLY 64 -2.499 5.105 13.461 473 HA2 GLY 64 HA2 GLY 64 -4.054 6.506 14.408 474 HA3 GLY 64 HA3 GLY 64 -2.868 7.059 15.588 475 H PHE 65 H PHE 65 -1.698 7.438 12.378 476 HA PHE 65 HA PHE 65 -2.655 10.273 12.282 477 HB2 PHE 65 HB2 PHE 65 -0.479 10.888 11.281 478 HB3 PHE 65 HB3 PHE 65 -0.480 10.411 12.956 479 HD1 PHE 65 HD2 PHE 65 0.198 8.866 9.550 480 HD2 PHE 65 HD1 PHE 65 1.250 9.094 13.720 481 HE1 PHE 65 HE2 PHE 65 2.144 7.380 9.151 482 HE2 PHE 65 HE1 PHE 65 3.187 7.604 13.317 483 HZ PHE 65 HZ PHE 65 3.632 6.732 11.033 484 H LYS 66 H LYS 66 -4.060 8.157 11.095 485 HA LYS 66 HA LYS 66 -4.129 9.220 8.350 486 HB2 LYS 66 HB2 LYS 66 -2.693 7.281 8.216 487 HB3 LYS 66 HB3 LYS 66 -3.885 6.226 8.934 488 HG2 LYS 66 HG2 LYS 66 -3.591 6.036 6.427 489 HG3 LYS 66 HG3 LYS 66 -5.242 6.395 6.876 490 HD2 LYS 66 HD2 LYS 66 -4.824 8.820 6.327 491 HD3 LYS 66 HD3 LYS 66 -3.196 8.376 5.775 492 HE2 LYS 66 HE2 LYS 66 -4.195 6.918 4.033 493 HE3 LYS 66 HE3 LYS 66 -5.806 7.227 4.691 494 HZ1 LYS 66 HZ1 LYS 66 -5.595 8.664 2.882 495 HZ2 LYS 66 HZ2 LYS 66 -4.084 9.175 3.278 496 HZ3 LYS 66 HZ3 LYS 66 -5.385 9.638 4.173 497 H ILE 67 H ILE 67 -6.100 6.502 8.648 498 HA ILE 67 HA ILE 67 -8.483 8.209 8.543 499 HB ILE 67 HB ILE 67 -9.651 6.036 8.006 500 HG12 ILE 67 HG12 ILE 67 -6.807 4.931 7.788 501 HG13 ILE 67 HG13 ILE 67 -7.951 4.571 9.082 502 HG21 ILE 67 HG21 ILE 67 -8.841 6.057 5.691 503 HG22 ILE 67 HG22 ILE 67 -8.930 7.694 6.326 504 HG23 ILE 67 HG23 ILE 67 -7.358 6.892 6.184 505 HD11 ILE 67 HD11 ILE 67 -9.484 3.504 7.526 506 HD12 ILE 67 HD12 ILE 67 -8.383 3.858 6.173 507 HD13 ILE 67 HD13 ILE 67 -7.873 2.763 7.474 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 -13.656 -8.097 -28.666 2 H2 GLY 1 H2 GLY 1 -13.476 -7.318 -27.227 3 H3 GLY 1 H3 GLY 1 -14.980 -7.518 -27.870 4 HA2 GLY 1 HA2 GLY 1 -14.834 -9.897 -27.646 5 HA3 GLY 1 HA3 GLY 1 -13.222 -9.681 -26.937 6 H SER 2 H SER 2 -13.509 -10.285 -24.865 7 HA SER 2 HA SER 2 -15.108 -8.529 -23.117 8 HB2 SER 2 HB2 SER 2 -16.645 -10.425 -23.615 9 HB3 SER 2 HB3 SER 2 -15.394 -11.554 -23.060 10 HG SER 2 HG SER 2 -17.092 -9.899 -21.623 11 H PHE 3 H PHE 3 -14.327 -8.443 -21.000 12 HA PHE 3 HA PHE 3 -11.645 -9.297 -20.358 13 HB2 PHE 3 HB2 PHE 3 -12.758 -7.319 -19.402 14 HB3 PHE 3 HB3 PHE 3 -13.976 -8.339 -18.648 15 HD1 PHE 3 HD1 PHE 3 -10.445 -7.216 -18.506 16 HD2 PHE 3 HD2 PHE 3 -13.487 -9.632 -16.623 17 HE1 PHE 3 HE1 PHE 3 -9.042 -7.411 -16.468 18 HE2 PHE 3 HE2 PHE 3 -12.063 -9.845 -14.608 19 HZ PHE 3 HZ PHE 3 -9.842 -8.731 -14.521 20 H THR 4 H THR 4 -14.770 -10.905 -20.118 21 HA THR 4 HA THR 4 -14.091 -12.856 -18.099 22 HB THR 4 HB THR 4 -16.015 -14.133 -18.970 23 HG1 THR 4 HG1 THR 4 -16.324 -12.055 -20.864 24 HG21 THR 4 HG21 THR 4 -16.463 -12.252 -17.429 25 HG22 THR 4 HG22 THR 4 -17.776 -12.485 -18.596 26 HG23 THR 4 HG23 THR 4 -16.630 -11.146 -18.809 27 H MET 5 H MET 5 -12.910 -12.571 -21.250 28 HA MET 5 HA MET 5 -12.657 -15.259 -22.118 29 HB2 MET 5 HB2 MET 5 -12.587 -13.119 -23.402 30 HB3 MET 5 HB3 MET 5 -10.996 -12.787 -22.754 31 HG2 MET 5 HG2 MET 5 -11.744 -15.157 -24.513 32 HG3 MET 5 HG3 MET 5 -11.106 -13.610 -25.066 33 HE1 MET 5 HE1 MET 5 -9.159 -14.398 -26.456 34 HE2 MET 5 HE2 MET 5 -8.087 -15.729 -25.972 35 HE3 MET 5 HE3 MET 5 -9.824 -16.027 -26.205 36 HA PRO 6 HA PRO 6 -9.400 -16.576 -19.384 37 HB2 PRO 6 HB2 PRO 6 -8.494 -18.857 -20.574 38 HB3 PRO 6 HB3 PRO 6 -10.120 -18.701 -19.844 39 HG2 PRO 6 HG2 PRO 6 -9.373 -18.350 -22.772 40 HG3 PRO 6 HG3 PRO 6 -10.668 -19.384 -22.084 41 HD2 PRO 6 HD2 PRO 6 -11.224 -16.916 -23.021 42 HD3 PRO 6 HD3 PRO 6 -11.983 -17.513 -21.512 43 H GLY 7 H GLY 7 -7.429 -15.797 -19.011 44 HA2 GLY 7 HA2 GLY 7 -5.157 -15.607 -19.169 45 HA3 GLY 7 HA3 GLY 7 -5.270 -16.694 -20.549 46 H LEU 8 H LEU 8 -6.920 -13.856 -21.364 47 HA LEU 8 HA LEU 8 -4.814 -13.058 -23.170 48 HB2 LEU 8 HB2 LEU 8 -6.324 -11.657 -24.223 49 HB3 LEU 8 HB3 LEU 8 -7.213 -13.100 -23.787 50 HG LEU 8 HG LEU 8 -7.285 -10.448 -22.263 51 HD11 LEU 8 HD11 LEU 8 -9.297 -11.694 -24.168 52 HD12 LEU 8 HD12 LEU 8 -8.294 -10.263 -24.487 53 HD13 LEU 8 HD13 LEU 8 -9.527 -10.203 -23.218 54 HD21 LEU 8 HD21 LEU 8 -9.376 -11.483 -21.241 55 HD22 LEU 8 HD22 LEU 8 -7.856 -12.205 -20.724 56 HD23 LEU 8 HD23 LEU 8 -8.838 -13.032 -21.937 57 H VAL 9 H VAL 9 -4.471 -12.563 -20.212 58 HA VAL 9 HA VAL 9 -3.694 -9.795 -19.882 59 HB VAL 9 HB VAL 9 -1.950 -11.071 -18.281 60 HG11 VAL 9 HG11 VAL 9 -3.489 -9.422 -17.574 61 HG12 VAL 9 HG12 VAL 9 -4.853 -10.546 -17.662 62 HG13 VAL 9 HG13 VAL 9 -3.563 -10.797 -16.462 63 HG21 VAL 9 HG21 VAL 9 -4.282 -13.029 -18.260 64 HG22 VAL 9 HG22 VAL 9 -2.675 -13.377 -18.954 65 HG23 VAL 9 HG23 VAL 9 -2.845 -13.036 -17.227 66 H ASP 10 H ASP 10 -2.738 -9.173 -21.640 67 HA ASP 10 HA ASP 10 -0.544 -10.292 -23.031 68 HB2 ASP 10 HB2 ASP 10 -1.800 -8.400 -23.884 69 HB3 ASP 10 HB3 ASP 10 -1.255 -7.382 -22.545 70 H SER 11 H SER 11 1.180 -11.100 -22.087 71 HA SER 11 HA SER 11 2.374 -10.216 -19.660 72 HB2 SER 11 HB2 SER 11 3.480 -11.892 -21.944 73 HB3 SER 11 HB3 SER 11 4.289 -11.660 -20.381 74 HG SER 11 HG SER 11 2.993 -13.568 -20.454 75 H ASN 12 H ASN 12 4.280 -9.138 -19.219 76 HA ASN 12 HA ASN 12 4.963 -6.868 -20.868 77 HB2 ASN 12 HB2 ASN 12 6.469 -8.206 -18.594 78 HB3 ASN 12 HB3 ASN 12 6.852 -6.626 -19.238 79 HD21 ASN 12 HD21 ASN 12 5.884 -7.716 -16.550 80 HD22 ASN 12 HD22 ASN 12 4.652 -6.547 -16.095 81 HA PRO 13 HA PRO 13 8.237 -8.592 -23.470 82 HB2 PRO 13 HB2 PRO 13 9.909 -6.320 -22.435 83 HB3 PRO 13 HB3 PRO 13 9.677 -6.867 -24.128 84 HG2 PRO 13 HG2 PRO 13 8.394 -4.656 -23.217 85 HG3 PRO 13 HG3 PRO 13 7.515 -5.849 -24.230 86 HD2 PRO 13 HD2 PRO 13 7.488 -5.557 -21.217 87 HD3 PRO 13 HD3 PRO 13 6.115 -5.796 -22.345 88 H ALA 14 H ALA 14 10.536 -9.304 -23.321 89 HA ALA 14 HA ALA 14 10.933 -11.168 -21.385 90 HB1 ALA 14 HB1 ALA 14 12.060 -10.973 -23.586 91 HB2 ALA 14 HB2 ALA 14 13.108 -9.707 -22.923 92 HB3 ALA 14 HB3 ALA 14 13.187 -11.362 -22.280 93 HA PRO 15 HA PRO 15 11.615 -8.606 -17.913 94 HB2 PRO 15 HB2 PRO 15 11.990 -10.419 -15.888 95 HB3 PRO 15 HB3 PRO 15 10.433 -10.211 -16.747 96 HG2 PRO 15 HG2 PRO 15 12.609 -12.256 -17.316 97 HG3 PRO 15 HG3 PRO 15 10.852 -12.546 -17.097 98 HD2 PRO 15 HD2 PRO 15 11.944 -12.298 -19.568 99 HD3 PRO 15 HD3 PRO 15 10.340 -11.587 -19.198 100 HA PRO 16 HA PRO 16 15.937 -7.892 -17.260 101 HB2 PRO 16 HB2 PRO 16 15.987 -6.437 -14.959 102 HB3 PRO 16 HB3 PRO 16 15.267 -5.820 -16.474 103 HG2 PRO 16 HG2 PRO 16 13.828 -7.150 -14.150 104 HG3 PRO 16 HG3 PRO 16 13.432 -5.593 -14.954 105 HD2 PRO 16 HD2 PRO 16 12.185 -7.903 -15.642 106 HD3 PRO 16 HD3 PRO 16 12.610 -6.679 -16.877 107 H GLU 17 H GLU 17 17.707 -8.141 -15.641 108 HA GLU 17 HA GLU 17 17.776 -10.851 -14.691 109 HB2 GLU 17 HB2 GLU 17 20.059 -10.427 -14.217 110 HB3 GLU 17 HB3 GLU 17 19.677 -9.549 -15.687 111 HG2 GLU 17 HG2 GLU 17 19.218 -7.516 -14.028 112 HG3 GLU 17 HG3 GLU 17 20.142 -8.512 -12.884 113 H SER 18 H SER 18 18.614 -11.475 -12.628 114 HA SER 18 HA SER 18 17.112 -11.048 -10.363 115 HB2 SER 18 HB2 SER 18 19.950 -11.985 -10.863 116 HB3 SER 18 HB3 SER 18 19.267 -11.944 -9.244 117 HG SER 18 HG SER 18 18.165 -13.287 -11.526 118 H GLN 19 H GLN 19 17.493 -10.149 -8.327 119 HA GLN 19 HA GLN 19 19.054 -7.586 -8.205 120 HB2 GLN 19 HB2 GLN 19 16.120 -8.142 -7.593 121 HB3 GLN 19 HB3 GLN 19 16.962 -6.704 -7.015 122 HG2 GLN 19 HG2 GLN 19 17.415 -5.947 -9.271 123 HG3 GLN 19 HG3 GLN 19 16.747 -7.429 -9.958 124 HE21 GLN 19 HE21 GLN 19 15.654 -5.389 -11.065 125 HE22 GLN 19 HE22 GLN 19 14.052 -5.049 -10.403 126 H GLU 20 H GLU 20 19.137 -6.694 -5.912 127 HA GLU 20 HA GLU 20 18.809 -8.752 -3.780 128 HB2 GLU 20 HB2 GLU 20 21.350 -7.152 -4.268 129 HB3 GLU 20 HB3 GLU 20 20.932 -7.953 -2.751 130 HG2 GLU 20 HG2 GLU 20 20.808 -10.134 -3.940 131 HG3 GLU 20 HG3 GLU 20 21.366 -9.335 -5.420 132 H LYS 21 H LYS 21 17.705 -7.979 -2.115 133 HA LYS 21 HA LYS 21 17.106 -5.119 -1.750 134 HB2 LYS 21 HB2 LYS 21 16.496 -7.635 -0.122 135 HB3 LYS 21 HB3 LYS 21 16.117 -6.019 0.451 136 HG2 LYS 21 HG2 LYS 21 14.137 -6.746 -0.422 137 HG3 LYS 21 HG3 LYS 21 14.774 -5.607 -1.616 138 HD2 LYS 21 HD2 LYS 21 15.390 -7.452 -3.111 139 HD3 LYS 21 HD3 LYS 21 15.093 -8.639 -1.826 140 HE2 LYS 21 HE2 LYS 21 13.200 -8.708 -3.270 141 HE3 LYS 21 HE3 LYS 21 12.701 -7.931 -1.762 142 HZ1 LYS 21 HZ1 LYS 21 12.774 -5.818 -2.846 143 HZ2 LYS 21 HZ2 LYS 21 11.927 -6.815 -3.832 144 HZ3 LYS 21 HZ3 LYS 21 13.475 -6.429 -4.211 145 H LYS 22 H LYS 22 17.577 -3.953 0.153 146 HA LYS 22 HA LYS 22 20.016 -4.719 1.722 147 HB2 LYS 22 HB2 LYS 22 18.921 -2.025 0.840 148 HB3 LYS 22 HB3 LYS 22 19.727 -2.140 2.384 149 HG2 LYS 22 HG2 LYS 22 21.213 -1.333 0.669 150 HG3 LYS 22 HG3 LYS 22 21.810 -2.827 1.372 151 HD2 LYS 22 HD2 LYS 22 20.175 -3.020 -1.154 152 HD3 LYS 22 HD3 LYS 22 21.795 -2.334 -1.283 153 HE2 LYS 22 HE2 LYS 22 22.839 -4.296 -0.369 154 HE3 LYS 22 HE3 LYS 22 21.295 -4.973 0.132 155 HZ1 LYS 22 HZ1 LYS 22 20.700 -5.200 -2.224 156 HZ2 LYS 22 HZ2 LYS 22 22.072 -6.019 -1.832 157 HZ3 LYS 22 HZ3 LYS 22 22.180 -4.620 -2.678 158 HA PRO 23 HA PRO 23 17.350 -5.297 5.191 159 HB2 PRO 23 HB2 PRO 23 18.754 -4.215 7.296 160 HB3 PRO 23 HB3 PRO 23 19.186 -5.749 6.479 161 HG2 PRO 23 HG2 PRO 23 20.322 -2.986 5.927 162 HG3 PRO 23 HG3 PRO 23 21.226 -4.501 6.255 163 HD2 PRO 23 HD2 PRO 23 20.807 -3.697 3.723 164 HD3 PRO 23 HD3 PRO 23 20.614 -5.424 4.142 165 H LEU 24 H LEU 24 15.712 -4.217 6.324 166 HA LEU 24 HA LEU 24 15.127 -1.534 5.382 167 HB2 LEU 24 HB2 LEU 24 13.445 -3.340 5.557 168 HB3 LEU 24 HB3 LEU 24 13.673 -3.381 7.306 169 HG LEU 24 HG LEU 24 12.832 -1.030 7.454 170 HD11 LEU 24 HD11 LEU 24 13.325 -0.191 5.195 171 HD12 LEU 24 HD12 LEU 24 11.592 -0.102 5.503 172 HD13 LEU 24 HD13 LEU 24 12.237 -1.406 4.485 173 HD21 LEU 24 HD21 LEU 24 10.991 -2.993 6.030 174 HD22 LEU 24 HD22 LEU 24 10.494 -1.614 7.036 175 HD23 LEU 24 HD23 LEU 24 11.353 -2.970 7.772 176 H LYS 25 H LYS 25 15.594 0.362 6.380 177 HA LYS 25 HA LYS 25 16.972 0.393 8.906 178 HB2 LYS 25 HB2 LYS 25 17.055 2.786 8.726 179 HB3 LYS 25 HB3 LYS 25 17.492 2.016 7.209 180 HG2 LYS 25 HG2 LYS 25 15.207 2.582 6.311 181 HG3 LYS 25 HG3 LYS 25 14.856 3.418 7.839 182 HD2 LYS 25 HD2 LYS 25 16.833 4.899 7.463 183 HD3 LYS 25 HD3 LYS 25 17.143 4.075 5.926 184 HE2 LYS 25 HE2 LYS 25 14.879 4.811 5.122 185 HE3 LYS 25 HE3 LYS 25 14.649 5.678 6.648 186 HZ1 LYS 25 HZ1 LYS 25 15.476 7.225 4.998 187 HZ2 LYS 25 HZ2 LYS 25 16.718 6.245 4.592 188 HZ3 LYS 25 HZ3 LYS 25 16.686 6.982 6.066 189 HA PRO 26 HA PRO 26 13.757 0.024 11.709 190 HB2 PRO 26 HB2 PRO 26 14.604 1.357 13.974 191 HB3 PRO 26 HB3 PRO 26 15.263 -0.206 13.399 192 HG2 PRO 26 HG2 PRO 26 16.357 2.577 12.902 193 HG3 PRO 26 HG3 PRO 26 17.242 1.121 13.444 194 HD2 PRO 26 HD2 PRO 26 17.258 1.868 10.857 195 HD3 PRO 26 HD3 PRO 26 17.136 0.135 11.290 196 H CYS 27 H CYS 27 11.855 0.812 12.119 197 HA CYS 27 HA CYS 27 11.239 3.720 12.184 198 HB2 CYS 27 HB2 CYS 27 11.152 2.935 9.816 199 HB3 CYS 27 HB3 CYS 27 10.068 1.620 10.295 200 HG CYS 27 HG CYS 27 9.587 4.910 10.479 201 H CYS 28 H CYS 28 9.411 4.168 13.420 202 HA CYS 28 HA CYS 28 8.418 2.077 15.204 203 HB2 CYS 28 HB2 CYS 28 7.812 5.044 14.974 204 HB3 CYS 28 HB3 CYS 28 7.254 3.978 16.273 205 HG CYS 28 HG CYS 28 9.177 5.377 17.255 206 H ALA 29 H ALA 29 7.760 1.586 12.491 207 HA ALA 29 HA ALA 29 4.881 1.255 12.534 208 HB1 ALA 29 HB1 ALA 29 5.143 3.596 11.657 209 HB2 ALA 29 HB2 ALA 29 6.147 2.963 10.338 210 HB3 ALA 29 HB3 ALA 29 4.439 2.499 10.465 211 H SER 30 H SER 30 4.376 0.356 10.080 212 HA SER 30 HA SER 30 6.515 -1.602 9.336 213 HB2 SER 30 HB2 SER 30 3.539 -1.981 8.989 214 HB3 SER 30 HB3 SER 30 4.829 -3.138 8.634 215 HG SER 30 HG SER 30 3.878 -2.198 11.131 216 HA PRO 31 HA PRO 31 5.920 1.470 5.759 217 HB2 PRO 31 HB2 PRO 31 8.562 1.882 5.237 218 HB3 PRO 31 HB3 PRO 31 7.642 2.791 6.472 219 HG2 PRO 31 HG2 PRO 31 9.388 0.349 6.890 220 HG3 PRO 31 HG3 PRO 31 9.431 1.906 7.782 221 HD2 PRO 31 HD2 PRO 31 8.101 -0.196 8.775 222 HD3 PRO 31 HD3 PRO 31 7.377 1.431 8.873 223 H GLU 32 H GLU 32 7.419 -1.729 6.097 224 HA GLU 32 HA GLU 32 7.976 -2.183 3.361 225 HB2 GLU 32 HB2 GLU 32 7.754 -4.457 3.762 226 HB3 GLU 32 HB3 GLU 32 8.428 -3.784 5.230 227 HG2 GLU 32 HG2 GLU 32 6.231 -3.979 6.351 228 HG3 GLU 32 HG3 GLU 32 5.473 -4.516 4.851 229 H THR 33 H THR 33 4.844 -1.829 4.937 230 HA THR 33 HA THR 33 3.222 -2.810 2.726 231 HB THR 33 HB THR 33 1.362 -1.657 3.835 232 HG1 THR 33 HG1 THR 33 3.125 -0.884 5.899 233 HG21 THR 33 HG21 THR 33 2.049 -3.891 4.672 234 HG22 THR 33 HG22 THR 33 1.334 -2.876 5.938 235 HG23 THR 33 HG23 THR 33 3.093 -3.115 5.881 236 H LYS 34 H LYS 34 4.251 0.459 3.735 237 HA LYS 34 HA LYS 34 3.173 1.975 1.551 238 HB2 LYS 34 HB2 LYS 34 3.879 3.278 3.315 239 HB3 LYS 34 HB3 LYS 34 5.288 2.299 3.657 240 HG2 LYS 34 HG2 LYS 34 6.020 4.416 2.985 241 HG3 LYS 34 HG3 LYS 34 6.440 3.281 1.715 242 HD2 LYS 34 HD2 LYS 34 4.479 4.073 0.379 243 HD3 LYS 34 HD3 LYS 34 4.091 5.228 1.662 244 HE2 LYS 34 HE2 LYS 34 6.223 6.371 1.392 245 HE3 LYS 34 HE3 LYS 34 6.823 5.081 0.338 246 HZ1 LYS 34 HZ1 LYS 34 5.259 5.727 -1.342 247 HZ2 LYS 34 HZ2 LYS 34 6.163 7.010 -0.921 248 HZ3 LYS 34 HZ3 LYS 34 4.618 6.941 -0.382 249 H LYS 35 H LYS 35 6.397 0.436 1.902 250 HA LYS 35 HA LYS 35 7.336 1.107 -0.737 251 HB2 LYS 35 HB2 LYS 35 8.085 -0.879 1.411 252 HB3 LYS 35 HB3 LYS 35 8.756 -1.092 -0.191 253 HG2 LYS 35 HG2 LYS 35 10.228 0.161 1.335 254 HG3 LYS 35 HG3 LYS 35 9.871 1.011 -0.163 255 HD2 LYS 35 HD2 LYS 35 8.366 2.551 0.977 256 HD3 LYS 35 HD3 LYS 35 8.447 1.591 2.472 257 HE2 LYS 35 HE2 LYS 35 9.875 3.386 2.872 258 HE3 LYS 35 HE3 LYS 35 10.946 2.034 2.505 259 HZ1 LYS 35 HZ1 LYS 35 10.150 4.136 0.554 260 HZ2 LYS 35 HZ2 LYS 35 11.239 2.926 0.284 261 HZ3 LYS 35 HZ3 LYS 35 11.595 4.075 1.368 262 H ALA 36 H ALA 36 5.493 -1.725 0.402 263 HA ALA 36 HA ALA 36 5.402 -3.045 -2.158 264 HB1 ALA 36 HB1 ALA 36 4.963 -4.214 -0.043 265 HB2 ALA 36 HB2 ALA 36 3.529 -3.211 0.243 266 HB3 ALA 36 HB3 ALA 36 3.569 -4.343 -1.121 267 H ARG 37 H ARG 37 3.396 -0.514 -0.700 268 HA ARG 37 HA ARG 37 1.362 -0.462 -2.718 269 HB2 ARG 37 HB2 ARG 37 1.308 0.395 -0.301 270 HB3 ARG 37 HB3 ARG 37 2.108 1.843 -0.879 271 HG2 ARG 37 HG2 ARG 37 -0.549 0.777 -1.955 272 HG3 ARG 37 HG3 ARG 37 -0.424 1.889 -0.600 273 HD2 ARG 37 HD2 ARG 37 0.419 2.472 -3.454 274 HD3 ARG 37 HD3 ARG 37 -0.997 3.094 -2.623 275 HE ARG 37 HE ARG 37 0.655 4.124 -0.974 276 HH11 ARG 37 HH11 ARG 37 1.466 3.731 -4.432 277 HH12 ARG 37 HH12 ARG 37 2.567 5.090 -4.423 278 HH21 ARG 37 HH21 ARG 37 2.087 5.857 -1.019 279 HH22 ARG 37 HH22 ARG 37 2.939 6.271 -2.490 280 H ASP 38 H ASP 38 4.377 1.415 -2.306 281 HA ASP 38 HA ASP 38 4.232 3.048 -4.649 282 HB2 ASP 38 HB2 ASP 38 6.601 1.811 -3.225 283 HB3 ASP 38 HB3 ASP 38 6.726 3.008 -4.504 284 H ALA 39 H ALA 39 5.694 -0.198 -4.120 285 HA ALA 39 HA ALA 39 6.488 -0.670 -6.797 286 HB1 ALA 39 HB1 ALA 39 7.348 -1.941 -4.875 287 HB2 ALA 39 HB2 ALA 39 5.738 -2.628 -4.572 288 HB3 ALA 39 HB3 ALA 39 6.617 -3.036 -6.056 289 H CYS 40 H CYS 40 3.404 -1.590 -5.151 290 HA CYS 40 HA CYS 40 2.285 -2.886 -7.438 291 HB2 CYS 40 HB2 CYS 40 1.554 -3.046 -5.041 292 HB3 CYS 40 HB3 CYS 40 0.780 -1.468 -5.208 293 H ILE 41 H ILE 41 2.166 0.567 -6.407 294 HA ILE 41 HA ILE 41 0.550 1.386 -8.668 295 HB ILE 41 HB ILE 41 2.058 2.742 -6.490 296 HG12 ILE 41 HG12 ILE 41 -0.043 3.856 -6.099 297 HG13 ILE 41 HG13 ILE 41 -0.672 3.389 -7.672 298 HG21 ILE 41 HG21 ILE 41 1.657 4.983 -7.422 299 HG22 ILE 41 HG22 ILE 41 2.841 4.086 -8.367 300 HG23 ILE 41 HG23 ILE 41 1.177 4.262 -8.969 301 HD11 ILE 41 HD11 ILE 41 -1.689 2.180 -5.743 302 HD12 ILE 41 HD12 ILE 41 -0.992 1.113 -6.971 303 HD13 ILE 41 HD13 ILE 41 -0.135 1.394 -5.441 304 H ILE 42 H ILE 42 4.113 1.033 -8.299 305 HA ILE 42 HA ILE 42 4.639 2.011 -11.002 306 HB ILE 42 HB ILE 42 6.170 0.036 -9.289 307 HG12 ILE 42 HG12 ILE 42 6.209 2.305 -8.391 308 HG13 ILE 42 HG13 ILE 42 7.783 1.813 -8.965 309 HG21 ILE 42 HG21 ILE 42 6.745 -0.523 -11.557 310 HG22 ILE 42 HG22 ILE 42 6.920 1.186 -12.004 311 HG23 ILE 42 HG23 ILE 42 8.072 0.420 -10.890 312 HD11 ILE 42 HD11 ILE 42 5.885 3.713 -10.417 313 HD12 ILE 42 HD12 ILE 42 7.321 4.161 -9.490 314 HD13 ILE 42 HD13 ILE 42 7.504 3.232 -10.985 315 H GLU 43 H GLU 43 4.131 -1.313 -9.820 316 HA GLU 43 HA GLU 43 4.410 -2.542 -12.371 317 HB2 GLU 43 HB2 GLU 43 3.318 -3.410 -9.668 318 HB3 GLU 43 HB3 GLU 43 3.401 -4.526 -11.020 319 HG2 GLU 43 HG2 GLU 43 5.923 -3.006 -10.317 320 HG3 GLU 43 HG3 GLU 43 5.386 -4.306 -9.248 321 H LYS 44 H LYS 44 1.475 -1.637 -10.601 322 HA LYS 44 HA LYS 44 -0.230 -2.651 -12.857 323 HB2 LYS 44 HB2 LYS 44 -1.177 -2.723 -10.013 324 HB3 LYS 44 HB3 LYS 44 -1.666 -3.699 -11.398 325 HG2 LYS 44 HG2 LYS 44 0.503 -4.969 -11.200 326 HG3 LYS 44 HG3 LYS 44 0.860 -4.023 -9.734 327 HD2 LYS 44 HD2 LYS 44 -1.373 -4.796 -8.805 328 HD3 LYS 44 HD3 LYS 44 -1.486 -5.909 -10.178 329 HE2 LYS 44 HE2 LYS 44 0.641 -6.992 -9.456 330 HE3 LYS 44 HE3 LYS 44 0.748 -5.858 -8.096 331 HZ1 LYS 44 HZ1 LYS 44 -0.241 -7.917 -7.354 332 HZ2 LYS 44 HZ2 LYS 44 -1.401 -7.853 -8.521 333 HZ3 LYS 44 HZ3 LYS 44 -1.401 -6.745 -7.312 334 H GLY 45 H GLY 45 0.028 -0.273 -10.236 335 HA2 GLY 45 HA2 GLY 45 -0.566 2.036 -10.551 336 HA3 GLY 45 HA3 GLY 45 -1.739 1.579 -11.774 337 H GLU 46 H GLU 46 -2.462 3.363 -9.897 338 HA GLU 46 HA GLU 46 -3.351 2.558 -7.388 339 HB2 GLU 46 HB2 GLU 46 -4.659 4.599 -9.237 340 HB3 GLU 46 HB3 GLU 46 -4.969 4.447 -7.502 341 HG2 GLU 46 HG2 GLU 46 -2.579 4.934 -7.032 342 HG3 GLU 46 HG3 GLU 46 -2.285 5.143 -8.761 343 H GLU 47 H GLU 47 -5.267 2.372 -10.391 344 HA GLU 47 HA GLU 47 -7.540 1.154 -9.016 345 HB2 GLU 47 HB2 GLU 47 -8.678 1.288 -11.156 346 HB3 GLU 47 HB3 GLU 47 -7.967 2.832 -10.690 347 HG2 GLU 47 HG2 GLU 47 -6.101 2.493 -12.237 348 HG3 GLU 47 HG3 GLU 47 -6.685 0.877 -12.650 349 H HIS 48 H HIS 48 -4.804 -0.306 -9.520 350 HA HIS 48 HA HIS 48 -6.174 -2.938 -9.958 351 HB2 HIS 48 HB2 HIS 48 -3.360 -2.134 -10.726 352 HB3 HIS 48 HB3 HIS 48 -3.982 -3.784 -10.788 353 HD1 HIS 48 HD1 HIS 48 -6.606 -1.609 -12.214 354 HD2 HIS 48 HD2 HIS 48 -2.964 -3.340 -13.403 355 HE1 HIS 48 HE1 HIS 48 -6.515 -1.434 -14.768 356 H CYS 49 H CYS 49 -5.008 -1.012 -7.609 357 HA CYS 49 HA CYS 49 -3.607 -3.160 -6.070 358 HB2 CYS 49 HB2 CYS 49 -3.005 -0.218 -6.390 359 HB3 CYS 49 HB3 CYS 49 -2.242 -1.233 -5.160 360 H GLY 50 H GLY 50 -6.512 -2.416 -5.896 361 HA2 GLY 50 HA2 GLY 50 -7.104 -0.646 -3.828 362 HA3 GLY 50 HA3 GLY 50 -8.114 -2.027 -4.284 363 H HIS 51 H HIS 51 -6.524 -4.184 -3.433 364 HA HIS 51 HA HIS 51 -6.985 -4.073 -0.561 365 HB2 HIS 51 HB2 HIS 51 -5.852 -6.196 -2.409 366 HB3 HIS 51 HB3 HIS 51 -5.987 -6.401 -0.667 367 HD1 HIS 51 HD1 HIS 51 -8.266 -7.163 0.245 368 HD2 HIS 51 HD2 HIS 51 -8.389 -5.720 -3.700 369 HE1 HIS 51 HE1 HIS 51 -10.555 -7.823 -0.690 370 H LEU 52 H LEU 52 -4.123 -3.621 -2.602 371 HA LEU 52 HA LEU 52 -2.221 -3.792 -0.415 372 HB2 LEU 52 HB2 LEU 52 -1.967 -3.873 -3.109 373 HB3 LEU 52 HB3 LEU 52 -1.723 -2.153 -2.897 374 HG LEU 52 HG LEU 52 0.418 -3.126 -2.949 375 HD11 LEU 52 HD11 LEU 52 0.096 -1.485 -1.084 376 HD12 LEU 52 HD12 LEU 52 1.415 -2.645 -0.811 377 HD13 LEU 52 HD13 LEU 52 -0.108 -2.855 0.032 378 HD21 LEU 52 HD21 LEU 52 -0.222 -5.473 -2.583 379 HD22 LEU 52 HD22 LEU 52 -0.447 -5.156 -0.847 380 HD23 LEU 52 HD23 LEU 52 1.161 -5.011 -1.584 381 H ILE 53 H ILE 53 -3.956 -1.136 -2.039 382 HA ILE 53 HA ILE 53 -3.018 1.069 -0.460 383 HB ILE 53 HB ILE 53 -5.479 0.502 -2.116 384 HG12 ILE 53 HG12 ILE 53 -3.291 2.571 -2.561 385 HG13 ILE 53 HG13 ILE 53 -3.087 0.894 -3.071 386 HG21 ILE 53 HG21 ILE 53 -6.365 2.011 -0.524 387 HG22 ILE 53 HG22 ILE 53 -4.900 3.034 -0.542 388 HG23 ILE 53 HG23 ILE 53 -6.000 2.985 -1.936 389 HD11 ILE 53 HD11 ILE 53 -5.189 1.044 -4.392 390 HD12 ILE 53 HD12 ILE 53 -5.256 2.782 -4.024 391 HD13 ILE 53 HD13 ILE 53 -3.898 2.130 -4.954 392 H GLU 54 H GLU 54 -5.838 -1.087 -0.067 393 HA GLU 54 HA GLU 54 -6.856 -0.056 2.360 394 HB2 GLU 54 HB2 GLU 54 -7.919 -1.729 0.789 395 HB3 GLU 54 HB3 GLU 54 -6.848 -2.962 1.464 396 HG2 GLU 54 HG2 GLU 54 -7.851 -2.414 3.745 397 HG3 GLU 54 HG3 GLU 54 -9.026 -1.402 2.897 398 H ALA 55 H ALA 55 -4.400 -2.630 1.864 399 HA ALA 55 HA ALA 55 -3.960 -3.170 4.627 400 HB1 ALA 55 HB1 ALA 55 -2.182 -3.602 2.183 401 HB2 ALA 55 HB2 ALA 55 -1.954 -4.367 3.774 402 HB3 ALA 55 HB3 ALA 55 -3.400 -4.730 2.815 403 H HIS 56 H HIS 56 -2.236 -0.945 2.377 404 HA HIS 56 HA HIS 56 -0.281 -0.059 4.280 405 HB2 HIS 56 HB2 HIS 56 0.045 0.321 1.919 406 HB3 HIS 56 HB3 HIS 56 -1.462 1.236 1.796 407 HD1 HIS 56 HD1 HIS 56 -0.807 3.752 1.469 408 HD2 HIS 56 HD2 HIS 56 1.480 1.697 4.352 409 HE1 HIS 56 HE1 HIS 56 0.645 5.484 2.623 410 H LYS 57 H LYS 57 -3.522 1.345 3.440 411 HA LYS 57 HA LYS 57 -3.215 3.446 5.378 412 HB2 LYS 57 HB2 LYS 57 -5.405 4.118 4.878 413 HB3 LYS 57 HB3 LYS 57 -4.673 3.495 3.387 414 HG2 LYS 57 HG2 LYS 57 -5.883 1.373 3.684 415 HG3 LYS 57 HG3 LYS 57 -6.649 1.985 5.152 416 HD2 LYS 57 HD2 LYS 57 -8.130 2.076 3.216 417 HD3 LYS 57 HD3 LYS 57 -7.832 3.686 3.878 418 HE2 LYS 57 HE2 LYS 57 -6.183 4.142 2.108 419 HE3 LYS 57 HE3 LYS 57 -6.354 2.493 1.491 420 HZ1 LYS 57 HZ1 LYS 57 -8.481 4.563 1.509 421 HZ2 LYS 57 HZ2 LYS 57 -8.661 3.010 0.950 422 HZ3 LYS 57 HZ3 LYS 57 -7.690 4.081 0.187 423 H GLU 58 H GLU 58 -4.665 0.207 5.730 424 HA GLU 58 HA GLU 58 -5.440 0.503 8.505 425 HB2 GLU 58 HB2 GLU 58 -4.310 -1.833 6.918 426 HB3 GLU 58 HB3 GLU 58 -4.600 -1.956 8.658 427 HG2 GLU 58 HG2 GLU 58 -6.939 -1.351 8.363 428 HG3 GLU 58 HG3 GLU 58 -6.676 -1.168 6.626 429 H SER 59 H SER 59 -2.278 -0.366 7.058 430 HA SER 59 HA SER 59 -0.903 -0.741 9.480 431 HB2 SER 59 HB2 SER 59 -0.237 -1.109 6.897 432 HB3 SER 59 HB3 SER 59 0.594 0.436 7.159 433 HG SER 59 HG SER 59 0.804 -2.019 8.601 434 H MET 60 H MET 60 -1.224 2.303 7.587 435 HA MET 60 HA MET 60 0.146 3.771 9.736 436 HB2 MET 60 HB2 MET 60 -1.182 4.868 7.253 437 HB3 MET 60 HB3 MET 60 -0.114 5.729 8.373 438 HG2 MET 60 HG2 MET 60 0.556 3.542 6.417 439 HG3 MET 60 HG3 MET 60 1.229 5.176 6.560 440 HE1 MET 60 HE1 MET 60 3.356 3.349 5.923 441 HE2 MET 60 HE2 MET 60 4.069 2.295 7.166 442 HE3 MET 60 HE3 MET 60 2.502 1.876 6.440 443 H ARG 61 H ARG 61 -3.283 3.093 9.052 444 HA ARG 61 HA ARG 61 -4.304 5.108 10.838 445 HB2 ARG 61 HB2 ARG 61 -5.719 3.964 9.307 446 HB3 ARG 61 HB3 ARG 61 -5.363 2.388 10.002 447 HG2 ARG 61 HG2 ARG 61 -6.575 4.529 11.768 448 HG3 ARG 61 HG3 ARG 61 -7.601 3.755 10.569 449 HD2 ARG 61 HD2 ARG 61 -6.032 2.203 12.663 450 HD3 ARG 61 HD3 ARG 61 -7.728 2.685 12.813 451 HE ARG 61 HE ARG 61 -7.592 1.378 10.378 452 HH11 ARG 61 HH11 ARG 61 -6.874 0.457 13.747 453 HH12 ARG 61 HH12 ARG 61 -7.281 -1.224 13.481 454 HH21 ARG 61 HH21 ARG 61 -8.106 -0.805 10.080 455 HH22 ARG 61 HH22 ARG 61 -7.975 -1.937 11.407 456 H ALA 62 H ALA 62 -2.892 1.889 11.395 457 HA ALA 62 HA ALA 62 -3.267 1.844 14.234 458 HB1 ALA 62 HB1 ALA 62 -2.608 -0.115 12.911 459 HB2 ALA 62 HB2 ALA 62 -1.024 0.622 12.585 460 HB3 ALA 62 HB3 ALA 62 -1.481 0.183 14.239 461 H LEU 63 H LEU 63 -1.204 4.019 12.451 462 HA LEU 63 HA LEU 63 0.188 4.751 14.996 463 HB2 LEU 63 HB2 LEU 63 1.016 5.238 12.114 464 HB3 LEU 63 HB3 LEU 63 1.787 5.951 13.524 465 HG LEU 63 HG LEU 63 3.192 4.236 12.891 466 HD11 LEU 63 HD11 LEU 63 1.557 3.034 15.162 467 HD12 LEU 63 HD12 LEU 63 2.826 4.273 15.325 468 HD13 LEU 63 HD13 LEU 63 3.220 2.643 14.737 469 HD21 LEU 63 HD21 LEU 63 0.876 2.296 12.848 470 HD22 LEU 63 HD22 LEU 63 2.574 1.933 12.502 471 HD23 LEU 63 HD23 LEU 63 1.665 3.023 11.431 472 H GLY 64 H GLY 64 -2.441 5.641 13.248 473 HA2 GLY 64 HA2 GLY 64 -3.879 7.401 13.612 474 HA3 GLY 64 HA3 GLY 64 -2.643 8.243 14.539 475 H PHE 65 H PHE 65 -0.673 8.116 12.187 476 HA PHE 65 HA PHE 65 -1.540 10.648 11.106 477 HB2 PHE 65 HB2 PHE 65 0.753 10.686 10.073 478 HB3 PHE 65 HB3 PHE 65 0.599 10.640 11.804 479 HD1 PHE 65 HD1 PHE 65 0.938 7.969 9.045 480 HD2 PHE 65 HD2 PHE 65 2.238 9.499 12.887 481 HE1 PHE 65 HE1 PHE 65 2.608 6.181 9.212 482 HE2 PHE 65 HE2 PHE 65 3.914 7.688 13.021 483 HZ PHE 65 HZ PHE 65 4.090 6.013 11.194 484 H LYS 66 H LYS 66 -3.357 9.018 10.145 485 HA LYS 66 HA LYS 66 -2.882 8.987 7.187 486 HB2 LYS 66 HB2 LYS 66 -2.303 6.795 8.182 487 HB3 LYS 66 HB3 LYS 66 -3.884 6.632 8.879 488 HG2 LYS 66 HG2 LYS 66 -3.754 5.277 6.920 489 HG3 LYS 66 HG3 LYS 66 -4.847 6.591 6.511 490 HD2 LYS 66 HD2 LYS 66 -1.927 6.968 5.861 491 HD3 LYS 66 HD3 LYS 66 -2.777 5.751 4.927 492 HE2 LYS 66 HE2 LYS 66 -4.024 8.491 5.234 493 HE3 LYS 66 HE3 LYS 66 -2.658 8.274 4.133 494 HZ1 LYS 66 HZ1 LYS 66 -3.855 6.579 2.970 495 HZ2 LYS 66 HZ2 LYS 66 -4.697 7.960 2.949 496 HZ3 LYS 66 HZ3 LYS 66 -5.213 6.755 3.926 497 H ILE 67 H ILE 67 -5.386 8.255 9.584 498 HA ILE 67 HA ILE 67 -7.409 9.985 8.283 499 HB ILE 67 HB ILE 67 -9.014 7.961 8.482 500 HG12 ILE 67 HG12 ILE 67 -6.385 6.404 8.291 501 HG13 ILE 67 HG13 ILE 67 -7.520 6.365 9.633 502 HG21 ILE 67 HG21 ILE 67 -6.968 7.923 6.238 503 HG22 ILE 67 HG22 ILE 67 -8.676 7.446 6.172 504 HG23 ILE 67 HG23 ILE 67 -8.257 9.136 6.403 505 HD11 ILE 67 HD11 ILE 67 -9.226 5.375 8.113 506 HD12 ILE 67 HD12 ILE 67 -8.000 5.321 6.819 507 HD13 ILE 67 HD13 ILE 67 -7.771 4.379 8.292 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 -40.588 18.123 -0.160 2 H2 GLY 1 H2 GLY 1 -40.024 17.479 -1.570 3 H3 GLY 1 H3 GLY 1 -39.055 18.435 -0.646 4 HA2 GLY 1 HA2 GLY 1 -39.043 16.842 1.139 5 HA3 GLY 1 HA3 GLY 1 -40.067 15.783 0.154 6 H SER 2 H SER 2 -39.123 15.377 -2.129 7 HA SER 2 HA SER 2 -37.562 14.266 -3.332 8 HB2 SER 2 HB2 SER 2 -35.780 16.566 -2.480 9 HB3 SER 2 HB3 SER 2 -35.607 15.554 -3.924 10 HG SER 2 HG SER 2 -36.700 17.183 -4.722 11 H PHE 3 H PHE 3 -37.725 12.914 -0.923 12 HA PHE 3 HA PHE 3 -35.319 12.584 0.468 13 HB2 PHE 3 HB2 PHE 3 -37.437 11.686 1.258 14 HB3 PHE 3 HB3 PHE 3 -37.486 10.524 -0.063 15 HD1 PHE 3 HD1 PHE 3 -35.855 11.385 3.151 16 HD2 PHE 3 HD2 PHE 3 -36.012 8.546 -0.097 17 HE1 PHE 3 HE1 PHE 3 -34.452 9.814 4.448 18 HE2 PHE 3 HE2 PHE 3 -34.556 7.004 1.184 19 HZ PHE 3 HZ PHE 3 -33.760 7.634 3.452 20 H THR 4 H THR 4 -33.494 11.542 0.270 21 HA THR 4 HA THR 4 -32.879 9.810 -2.082 22 HB THR 4 HB THR 4 -30.563 10.939 -1.961 23 HG1 THR 4 HG1 THR 4 -30.344 12.609 -0.778 24 HG21 THR 4 HG21 THR 4 -31.237 12.706 -3.504 25 HG22 THR 4 HG22 THR 4 -32.944 12.486 -3.029 26 HG23 THR 4 HG23 THR 4 -32.071 11.189 -3.859 27 H MET 5 H MET 5 -31.047 8.469 -1.884 28 HA MET 5 HA MET 5 -30.950 7.203 0.750 29 HB2 MET 5 HB2 MET 5 -31.440 6.020 -1.392 30 HB3 MET 5 HB3 MET 5 -29.778 6.323 -1.899 31 HG2 MET 5 HG2 MET 5 -28.955 4.981 0.009 32 HG3 MET 5 HG3 MET 5 -30.627 4.728 0.542 33 HE1 MET 5 HE1 MET 5 -30.579 2.106 0.539 34 HE2 MET 5 HE2 MET 5 -29.748 1.161 -0.717 35 HE3 MET 5 HE3 MET 5 -28.832 2.312 0.282 36 HA PRO 6 HA PRO 6 -26.834 8.761 1.769 37 HB2 PRO 6 HB2 PRO 6 -26.641 6.141 3.266 38 HB3 PRO 6 HB3 PRO 6 -26.186 7.788 3.811 39 HG2 PRO 6 HG2 PRO 6 -28.530 6.759 4.633 40 HG3 PRO 6 HG3 PRO 6 -28.500 8.431 3.992 41 HD2 PRO 6 HD2 PRO 6 -29.256 5.889 2.509 42 HD3 PRO 6 HD3 PRO 6 -30.146 7.440 2.635 43 H GLY 7 H GLY 7 -24.539 8.217 1.595 44 HA2 GLY 7 HA2 GLY 7 -22.671 7.279 0.653 45 HA3 GLY 7 HA3 GLY 7 -23.607 5.830 0.288 46 H LEU 8 H LEU 8 -25.532 7.509 -1.401 47 HA LEU 8 HA LEU 8 -24.155 7.219 -3.932 48 HB2 LEU 8 HB2 LEU 8 -26.937 8.269 -3.302 49 HB3 LEU 8 HB3 LEU 8 -26.334 7.837 -4.899 50 HG LEU 8 HG LEU 8 -26.847 5.925 -2.592 51 HD11 LEU 8 HD11 LEU 8 -28.822 6.796 -3.853 52 HD12 LEU 8 HD12 LEU 8 -28.584 5.052 -4.064 53 HD13 LEU 8 HD13 LEU 8 -28.117 6.187 -5.352 54 HD21 LEU 8 HD21 LEU 8 -24.916 5.088 -3.816 55 HD22 LEU 8 HD22 LEU 8 -25.710 5.386 -5.377 56 HD23 LEU 8 HD23 LEU 8 -26.332 4.138 -4.270 57 H VAL 9 H VAL 9 -22.704 9.061 -2.663 58 HA VAL 9 HA VAL 9 -22.649 11.248 -4.570 59 HB VAL 9 HB VAL 9 -22.123 12.812 -2.437 60 HG11 VAL 9 HG11 VAL 9 -24.905 12.470 -3.611 61 HG12 VAL 9 HG12 VAL 9 -24.266 13.909 -2.793 62 HG13 VAL 9 HG13 VAL 9 -23.567 13.389 -4.336 63 HG21 VAL 9 HG21 VAL 9 -24.558 11.267 -1.451 64 HG22 VAL 9 HG22 VAL 9 -22.931 11.121 -0.752 65 HG23 VAL 9 HG23 VAL 9 -23.788 12.671 -0.699 66 H ASP 10 H ASP 10 -20.606 11.107 -5.240 67 HA ASP 10 HA ASP 10 -18.514 10.005 -3.586 68 HB2 ASP 10 HB2 ASP 10 -18.617 9.616 -5.988 69 HB3 ASP 10 HB3 ASP 10 -18.398 11.342 -6.305 70 H SER 11 H SER 11 -17.501 10.985 -2.050 71 HA SER 11 HA SER 11 -16.359 13.709 -2.246 72 HB2 SER 11 HB2 SER 11 -18.626 14.029 -1.277 73 HB3 SER 11 HB3 SER 11 -18.281 12.786 -0.074 74 HG SER 11 HG SER 11 -17.879 14.551 0.985 75 H ASN 12 H ASN 12 -14.460 13.892 -0.960 76 HA ASN 12 HA ASN 12 -13.834 11.740 0.994 77 HB2 ASN 12 HB2 ASN 12 -12.762 11.048 -1.119 78 HB3 ASN 12 HB3 ASN 12 -11.912 12.595 -1.198 79 HD21 ASN 12 HD21 ASN 12 -9.865 11.326 -1.159 80 HD22 ASN 12 HD22 ASN 12 -9.321 10.659 0.360 81 HA PRO 13 HA PRO 13 -13.119 16.077 2.439 82 HB2 PRO 13 HB2 PRO 13 -14.542 16.066 4.736 83 HB3 PRO 13 HB3 PRO 13 -15.334 16.107 3.130 84 HG2 PRO 13 HG2 PRO 13 -14.865 13.676 4.873 85 HG3 PRO 13 HG3 PRO 13 -16.394 14.208 4.104 86 HD2 PRO 13 HD2 PRO 13 -14.741 12.362 2.949 87 HD3 PRO 13 HD3 PRO 13 -15.686 13.530 1.980 88 H ALA 14 H ALA 14 -12.021 16.990 4.386 89 HA ALA 14 HA ALA 14 -10.048 15.168 5.584 90 HB1 ALA 14 HB1 ALA 14 -10.543 18.154 5.894 91 HB2 ALA 14 HB2 ALA 14 -9.196 17.251 6.617 92 HB3 ALA 14 HB3 ALA 14 -9.333 17.372 4.853 93 HA PRO 15 HA PRO 15 -13.181 14.164 8.525 94 HB2 PRO 15 HB2 PRO 15 -11.781 12.672 10.399 95 HB3 PRO 15 HB3 PRO 15 -12.279 12.090 8.784 96 HG2 PRO 15 HG2 PRO 15 -9.615 13.259 9.603 97 HG3 PRO 15 HG3 PRO 15 -9.922 11.771 8.650 98 HD2 PRO 15 HD2 PRO 15 -9.294 14.090 7.414 99 HD3 PRO 15 HD3 PRO 15 -10.550 13.021 6.730 100 HA PRO 16 HA PRO 16 -13.048 17.416 11.362 101 HB2 PRO 16 HB2 PRO 16 -15.288 17.062 12.868 102 HB3 PRO 16 HB3 PRO 16 -15.333 17.345 11.101 103 HG2 PRO 16 HG2 PRO 16 -15.455 14.684 12.560 104 HG3 PRO 16 HG3 PRO 16 -16.543 15.288 11.270 105 HD2 PRO 16 HD2 PRO 16 -14.425 13.641 10.735 106 HD3 PRO 16 HD3 PRO 16 -14.931 14.933 9.605 107 H GLU 17 H GLU 17 -12.914 18.214 13.569 108 HA GLU 17 HA GLU 17 -12.605 16.280 15.767 109 HB2 GLU 17 HB2 GLU 17 -10.333 16.437 14.985 110 HB3 GLU 17 HB3 GLU 17 -10.380 18.203 14.979 111 HG2 GLU 17 HG2 GLU 17 -10.266 18.342 17.324 112 HG3 GLU 17 HG3 GLU 17 -10.920 16.721 17.549 113 H SER 18 H SER 18 -13.261 17.054 17.720 114 HA SER 18 HA SER 18 -13.774 19.987 18.061 115 HB2 SER 18 HB2 SER 18 -15.853 18.541 18.208 116 HB3 SER 18 HB3 SER 18 -15.114 17.737 19.607 117 HG SER 18 HG SER 18 -15.806 20.465 19.253 118 H GLN 19 H GLN 19 -12.890 20.931 19.883 119 HA GLN 19 HA GLN 19 -11.238 21.360 21.328 120 HB2 GLN 19 HB2 GLN 19 -12.756 19.953 22.769 121 HB3 GLN 19 HB3 GLN 19 -11.678 18.589 22.483 122 HG2 GLN 19 HG2 GLN 19 -11.139 19.627 24.611 123 HG3 GLN 19 HG3 GLN 19 -9.799 19.883 23.496 124 HE21 GLN 19 HE21 GLN 19 -12.695 21.515 24.906 125 HE22 GLN 19 HE22 GLN 19 -12.058 23.142 24.658 126 H GLU 20 H GLU 20 -9.790 21.551 19.620 127 HA GLU 20 HA GLU 20 -8.486 19.588 18.198 128 HB2 GLU 20 HB2 GLU 20 -7.496 22.366 18.945 129 HB3 GLU 20 HB3 GLU 20 -6.696 21.316 17.766 130 HG2 GLU 20 HG2 GLU 20 -8.837 21.164 16.486 131 HG3 GLU 20 HG3 GLU 20 -9.549 22.355 17.562 132 H LYS 21 H LYS 21 -6.696 18.394 18.212 133 HA LYS 21 HA LYS 21 -5.080 18.267 20.736 134 HB2 LYS 21 HB2 LYS 21 -6.879 16.507 20.287 135 HB3 LYS 21 HB3 LYS 21 -5.866 15.925 18.963 136 HG2 LYS 21 HG2 LYS 21 -4.042 15.454 20.593 137 HG3 LYS 21 HG3 LYS 21 -5.040 16.164 21.889 138 HD2 LYS 21 HD2 LYS 21 -6.789 14.460 21.443 139 HD3 LYS 21 HD3 LYS 21 -5.694 13.679 20.281 140 HE2 LYS 21 HE2 LYS 21 -4.049 13.285 22.087 141 HE3 LYS 21 HE3 LYS 21 -5.105 14.129 23.238 142 HZ1 LYS 21 HZ1 LYS 21 -5.471 11.759 23.399 143 HZ2 LYS 21 HZ2 LYS 21 -5.779 11.634 21.791 144 HZ3 LYS 21 HZ3 LYS 21 -6.819 12.467 22.767 145 H LYS 22 H LYS 22 -2.872 17.695 20.567 146 HA LYS 22 HA LYS 22 -1.506 18.792 18.287 147 HB2 LYS 22 HB2 LYS 22 -0.501 17.006 20.525 148 HB3 LYS 22 HB3 LYS 22 0.539 17.791 19.345 149 HG2 LYS 22 HG2 LYS 22 -1.237 19.230 21.368 150 HG3 LYS 22 HG3 LYS 22 0.494 18.961 21.485 151 HD2 LYS 22 HD2 LYS 22 0.548 21.075 20.701 152 HD3 LYS 22 HD3 LYS 22 0.559 20.242 19.147 153 HE2 LYS 22 HE2 LYS 22 -1.938 20.582 19.002 154 HE3 LYS 22 HE3 LYS 22 -1.887 21.405 20.570 155 HZ1 LYS 22 HZ1 LYS 22 -1.831 23.006 18.745 156 HZ2 LYS 22 HZ2 LYS 22 -0.494 22.301 18.109 157 HZ3 LYS 22 HZ3 LYS 22 -0.407 23.049 19.569 158 HA PRO 23 HA PRO 23 -1.277 15.619 15.269 159 HB2 PRO 23 HB2 PRO 23 1.684 16.248 15.176 160 HB3 PRO 23 HB3 PRO 23 0.539 16.008 13.815 161 HG2 PRO 23 HG2 PRO 23 1.212 18.516 14.573 162 HG3 PRO 23 HG3 PRO 23 -0.498 18.122 14.216 163 HD2 PRO 23 HD2 PRO 23 0.838 18.379 16.922 164 HD3 PRO 23 HD3 PRO 23 -0.759 18.951 16.366 165 H LEU 24 H LEU 24 -0.649 13.487 14.871 166 HA LEU 24 HA LEU 24 0.662 12.068 17.135 167 HB2 LEU 24 HB2 LEU 24 -1.075 10.988 14.897 168 HB3 LEU 24 HB3 LEU 24 -0.364 10.046 16.207 169 HG LEU 24 HG LEU 24 -2.470 12.235 16.490 170 HD11 LEU 24 HD11 LEU 24 -2.567 9.231 16.971 171 HD12 LEU 24 HD12 LEU 24 -3.334 10.110 15.631 172 HD13 LEU 24 HD13 LEU 24 -3.886 10.375 17.287 173 HD21 LEU 24 HD21 LEU 24 -1.057 12.311 18.491 174 HD22 LEU 24 HD22 LEU 24 -1.152 10.540 18.658 175 HD23 LEU 24 HD23 LEU 24 -2.594 11.555 18.881 176 H LYS 25 H LYS 25 2.630 11.499 17.013 177 HA LYS 25 HA LYS 25 4.010 10.833 14.446 178 HB2 LYS 25 HB2 LYS 25 5.027 12.847 16.463 179 HB3 LYS 25 HB3 LYS 25 5.907 12.237 15.051 180 HG2 LYS 25 HG2 LYS 25 4.109 13.234 13.590 181 HG3 LYS 25 HG3 LYS 25 3.401 13.969 15.035 182 HD2 LYS 25 HD2 LYS 25 6.176 14.503 13.897 183 HD3 LYS 25 HD3 LYS 25 4.775 15.573 13.831 184 HE2 LYS 25 HE2 LYS 25 4.772 15.607 16.371 185 HE3 LYS 25 HE3 LYS 25 6.299 14.709 16.334 186 HZ1 LYS 25 HZ1 LYS 25 5.806 17.406 15.215 187 HZ2 LYS 25 HZ2 LYS 25 7.252 16.584 15.064 188 HZ3 LYS 25 HZ3 LYS 25 6.707 17.070 16.527 189 HA PRO 26 HA PRO 26 4.686 7.911 18.011 190 HB2 PRO 26 HB2 PRO 26 4.227 5.550 16.715 191 HB3 PRO 26 HB3 PRO 26 2.894 6.615 17.262 192 HG2 PRO 26 HG2 PRO 26 4.148 6.510 14.499 193 HG3 PRO 26 HG3 PRO 26 2.412 6.390 14.931 194 HD2 PRO 26 HD2 PRO 26 3.506 8.747 14.184 195 HD3 PRO 26 HD3 PRO 26 2.302 8.686 15.508 196 H CYS 27 H CYS 27 6.294 6.228 18.346 197 HA CYS 27 HA CYS 27 8.811 6.837 17.055 198 HB2 CYS 27 HB2 CYS 27 8.108 4.792 19.200 199 HB3 CYS 27 HB3 CYS 27 9.721 5.399 18.807 200 HG CYS 27 HG CYS 27 9.311 7.871 19.394 201 H CYS 28 H CYS 28 6.717 5.273 15.432 202 HA CYS 28 HA CYS 28 8.455 3.258 14.255 203 HB2 CYS 28 HB2 CYS 28 6.691 1.457 14.554 204 HB3 CYS 28 HB3 CYS 28 7.567 1.890 16.025 205 HG CYS 28 HG CYS 28 4.920 1.375 16.410 206 H ALA 29 H ALA 29 7.529 2.294 12.313 207 HA ALA 29 HA ALA 29 5.074 3.433 11.167 208 HB1 ALA 29 HB1 ALA 29 6.820 5.082 10.550 209 HB2 ALA 29 HB2 ALA 29 7.819 3.785 9.864 210 HB3 ALA 29 HB3 ALA 29 6.260 4.203 9.119 211 H SER 30 H SER 30 4.743 2.372 8.892 212 HA SER 30 HA SER 30 5.840 -0.414 8.817 213 HB2 SER 30 HB2 SER 30 3.160 0.586 7.824 214 HB3 SER 30 HB3 SER 30 3.819 -1.046 7.585 215 HG SER 30 HG SER 30 3.988 -1.219 9.874 216 HA PRO 31 HA PRO 31 7.474 2.066 5.219 217 HB2 PRO 31 HB2 PRO 31 10.056 1.111 5.246 218 HB3 PRO 31 HB3 PRO 31 9.488 2.476 6.256 219 HG2 PRO 31 HG2 PRO 31 9.696 -0.455 7.056 220 HG3 PRO 31 HG3 PRO 31 10.349 0.977 7.919 221 HD2 PRO 31 HD2 PRO 31 7.992 -0.067 8.659 222 HD3 PRO 31 HD3 PRO 31 8.173 1.706 8.533 223 H GLU 32 H GLU 32 7.614 -1.443 5.970 224 HA GLU 32 HA GLU 32 8.312 -2.141 3.212 225 HB2 GLU 32 HB2 GLU 32 7.278 -3.967 5.416 226 HB3 GLU 32 HB3 GLU 32 7.989 -4.441 3.870 227 HG2 GLU 32 HG2 GLU 32 10.086 -3.212 4.513 228 HG3 GLU 32 HG3 GLU 32 9.401 -2.965 6.120 229 H THR 33 H THR 33 5.237 -1.628 4.982 230 HA THR 33 HA THR 33 3.749 -2.825 2.749 231 HB THR 33 HB THR 33 1.705 -2.125 3.771 232 HG1 THR 33 HG1 THR 33 1.823 -1.166 5.865 233 HG21 THR 33 HG21 THR 33 3.539 -3.191 5.942 234 HG22 THR 33 HG22 THR 33 2.876 -4.182 4.622 235 HG23 THR 33 HG23 THR 33 1.781 -3.426 5.789 236 H LYS 34 H LYS 34 4.745 0.423 3.765 237 HA LYS 34 HA LYS 34 3.396 1.788 1.611 238 HB2 LYS 34 HB2 LYS 34 4.115 3.604 2.614 239 HB3 LYS 34 HB3 LYS 34 4.742 2.572 3.868 240 HG2 LYS 34 HG2 LYS 34 6.991 2.613 2.656 241 HG3 LYS 34 HG3 LYS 34 6.295 3.810 1.558 242 HD2 LYS 34 HD2 LYS 34 5.752 5.236 3.595 243 HD3 LYS 34 HD3 LYS 34 6.546 4.027 4.585 244 HE2 LYS 34 HE2 LYS 34 8.138 5.720 4.308 245 HE3 LYS 34 HE3 LYS 34 8.680 4.425 3.236 246 HZ1 LYS 34 HZ1 LYS 34 7.051 6.739 2.317 247 HZ2 LYS 34 HZ2 LYS 34 7.844 5.673 1.359 248 HZ3 LYS 34 HZ3 LYS 34 8.683 6.749 2.274 249 H LYS 35 H LYS 35 6.700 0.395 1.755 250 HA LYS 35 HA LYS 35 7.264 0.967 -1.031 251 HB2 LYS 35 HB2 LYS 35 8.554 -0.619 1.144 252 HB3 LYS 35 HB3 LYS 35 8.813 -1.237 -0.475 253 HG2 LYS 35 HG2 LYS 35 10.593 0.293 0.141 254 HG3 LYS 35 HG3 LYS 35 9.693 0.870 -1.258 255 HD2 LYS 35 HD2 LYS 35 8.490 2.514 0.178 256 HD3 LYS 35 HD3 LYS 35 9.353 1.898 1.592 257 HE2 LYS 35 HE2 LYS 35 10.389 3.952 0.822 258 HE3 LYS 35 HE3 LYS 35 11.507 2.603 0.612 259 HZ1 LYS 35 HZ1 LYS 35 11.354 4.183 -1.297 260 HZ2 LYS 35 HZ2 LYS 35 9.841 3.683 -1.610 261 HZ3 LYS 35 HZ3 LYS 35 11.095 2.635 -1.748 262 H ALA 36 H ALA 36 5.729 -1.933 0.468 263 HA ALA 36 HA ALA 36 5.441 -3.297 -2.017 264 HB1 ALA 36 HB1 ALA 36 3.738 -4.626 -0.817 265 HB2 ALA 36 HB2 ALA 36 5.223 -4.416 0.122 266 HB3 ALA 36 HB3 ALA 36 3.776 -3.460 0.522 267 H ARG 37 H ARG 37 3.345 -0.793 -0.513 268 HA ARG 37 HA ARG 37 1.269 -0.901 -2.486 269 HB2 ARG 37 HB2 ARG 37 1.328 0.332 -0.187 270 HB3 ARG 37 HB3 ARG 37 2.106 1.644 -1.078 271 HG2 ARG 37 HG2 ARG 37 0.071 1.451 -2.718 272 HG3 ARG 37 HG3 ARG 37 -0.651 0.406 -1.491 273 HD2 ARG 37 HD2 ARG 37 -1.497 2.582 -1.031 274 HD3 ARG 37 HD3 ARG 37 -0.246 2.297 0.175 275 HE ARG 37 HE ARG 37 1.110 3.917 -0.774 276 HH11 ARG 37 HH11 ARG 37 -1.720 3.375 -2.864 277 HH12 ARG 37 HH12 ARG 37 -1.362 4.747 -3.889 278 HH21 ARG 37 HH21 ARG 37 1.566 5.668 -2.158 279 HH22 ARG 37 HH22 ARG 37 0.498 6.038 -3.493 280 H ASP 38 H ASP 38 4.208 1.172 -2.280 281 HA ASP 38 HA ASP 38 3.947 2.447 -4.808 282 HB2 ASP 38 HB2 ASP 38 6.397 1.756 -3.146 283 HB3 ASP 38 HB3 ASP 38 6.418 2.727 -4.610 284 H ALA 39 H ALA 39 5.349 -0.748 -3.934 285 HA ALA 39 HA ALA 39 6.352 -1.347 -6.563 286 HB1 ALA 39 HB1 ALA 39 6.654 -3.582 -5.665 287 HB2 ALA 39 HB2 ALA 39 7.128 -2.409 -4.445 288 HB3 ALA 39 HB3 ALA 39 5.562 -3.242 -4.314 289 H CYS 40 H CYS 40 3.158 -1.898 -5.013 290 HA CYS 40 HA CYS 40 2.008 -3.225 -7.318 291 HB2 CYS 40 HB2 CYS 40 1.123 -3.233 -4.958 292 HB3 CYS 40 HB3 CYS 40 0.547 -1.585 -5.222 293 H ILE 41 H ILE 41 2.221 0.248 -6.330 294 HA ILE 41 HA ILE 41 0.890 1.277 -8.629 295 HB ILE 41 HB ILE 41 2.777 2.437 -6.612 296 HG12 ILE 41 HG12 ILE 41 0.963 4.088 -6.312 297 HG13 ILE 41 HG13 ILE 41 0.067 3.380 -7.638 298 HG21 ILE 41 HG21 ILE 41 3.609 3.495 -8.667 299 HG22 ILE 41 HG22 ILE 41 1.937 3.904 -9.145 300 HG23 ILE 41 HG23 ILE 41 2.679 4.654 -7.722 301 HD11 ILE 41 HD11 ILE 41 0.583 2.195 -4.903 302 HD12 ILE 41 HD12 ILE 41 -0.959 2.718 -5.591 303 HD13 ILE 41 HD13 ILE 41 -0.177 1.269 -6.229 304 H ILE 42 H ILE 42 4.288 0.255 -8.212 305 HA ILE 42 HA ILE 42 5.017 0.923 -10.952 306 HB ILE 42 HB ILE 42 6.252 -0.894 -8.882 307 HG12 ILE 42 HG12 ILE 42 6.439 1.551 -8.505 308 HG13 ILE 42 HG13 ILE 42 7.987 0.758 -8.728 309 HG21 ILE 42 HG21 ILE 42 8.269 -1.047 -10.354 310 HG22 ILE 42 HG22 ILE 42 6.885 -1.965 -10.934 311 HG23 ILE 42 HG23 ILE 42 7.293 -0.413 -11.697 312 HD11 ILE 42 HD11 ILE 42 8.125 1.675 -11.033 313 HD12 ILE 42 HD12 ILE 42 6.545 2.464 -10.809 314 HD13 ILE 42 HD13 ILE 42 7.927 2.944 -9.819 315 H GLU 43 H GLU 43 3.641 -2.119 -9.586 316 HA GLU 43 HA GLU 43 3.703 -3.506 -12.128 317 HB2 GLU 43 HB2 GLU 43 2.132 -3.910 -9.575 318 HB3 GLU 43 HB3 GLU 43 1.699 -4.785 -11.047 319 HG2 GLU 43 HG2 GLU 43 4.120 -5.554 -11.198 320 HG3 GLU 43 HG3 GLU 43 4.318 -4.939 -9.560 321 H LYS 44 H LYS 44 1.009 -1.700 -10.579 322 HA LYS 44 HA LYS 44 -0.452 -1.648 -13.215 323 HB2 LYS 44 HB2 LYS 44 -1.588 -2.144 -10.428 324 HB3 LYS 44 HB3 LYS 44 -2.523 -1.974 -11.911 325 HG2 LYS 44 HG2 LYS 44 -1.235 -3.946 -12.856 326 HG3 LYS 44 HG3 LYS 44 -0.578 -4.209 -11.227 327 HD2 LYS 44 HD2 LYS 44 -2.913 -4.391 -10.345 328 HD3 LYS 44 HD3 LYS 44 -3.531 -4.205 -11.993 329 HE2 LYS 44 HE2 LYS 44 -1.805 -6.479 -10.937 330 HE3 LYS 44 HE3 LYS 44 -3.526 -6.555 -11.341 331 HZ1 LYS 44 HZ1 LYS 44 -2.242 -7.436 -13.178 332 HZ2 LYS 44 HZ2 LYS 44 -1.302 -6.115 -13.261 333 HZ3 LYS 44 HZ3 LYS 44 -2.892 -6.010 -13.659 334 H GLY 45 H GLY 45 -0.038 0.085 -10.129 335 HA2 GLY 45 HA2 GLY 45 0.142 2.602 -10.417 336 HA3 GLY 45 HA3 GLY 45 -1.307 2.483 -11.398 337 H GLU 46 H GLU 46 -2.212 4.069 -10.041 338 HA GLU 46 HA GLU 46 -2.792 3.442 -7.241 339 HB2 GLU 46 HB2 GLU 46 -3.519 5.658 -9.180 340 HB3 GLU 46 HB3 GLU 46 -4.261 5.594 -7.597 341 HG2 GLU 46 HG2 GLU 46 -1.256 5.594 -8.063 342 HG3 GLU 46 HG3 GLU 46 -2.204 7.047 -7.790 343 H GLU 47 H GLU 47 -4.319 2.820 -10.260 344 HA GLU 47 HA GLU 47 -6.853 1.867 -9.036 345 HB2 GLU 47 HB2 GLU 47 -7.572 1.456 -11.336 346 HB3 GLU 47 HB3 GLU 47 -7.211 3.149 -11.009 347 HG2 GLU 47 HG2 GLU 47 -5.021 2.917 -12.145 348 HG3 GLU 47 HG3 GLU 47 -5.373 1.212 -12.480 349 H HIS 48 H HIS 48 -7.542 -0.353 -9.621 350 HA HIS 48 HA HIS 48 -7.345 -2.539 -9.266 351 HB2 HIS 48 HB2 HIS 48 -4.770 -2.347 -10.847 352 HB3 HIS 48 HB3 HIS 48 -5.610 -3.829 -10.440 353 HD1 HIS 48 HD1 HIS 48 -5.278 -1.767 -13.343 354 HD2 HIS 48 HD2 HIS 48 -8.462 -3.620 -11.305 355 HE1 HIS 48 HE1 HIS 48 -7.172 -1.992 -15.019 356 H CYS 49 H CYS 49 -4.693 -0.711 -7.929 357 HA CYS 49 HA CYS 49 -3.733 -2.892 -6.260 358 HB2 CYS 49 HB2 CYS 49 -3.043 0.023 -6.568 359 HB3 CYS 49 HB3 CYS 49 -2.316 -0.969 -5.299 360 H GLY 50 H GLY 50 -6.608 -1.833 -5.851 361 HA2 GLY 50 HA2 GLY 50 -6.986 -0.385 -3.554 362 HA3 GLY 50 HA3 GLY 50 -8.089 -1.608 -4.150 363 H HIS 51 H HIS 51 -6.274 -3.923 -3.576 364 HA HIS 51 HA HIS 51 -6.891 -4.126 -0.706 365 HB2 HIS 51 HB2 HIS 51 -5.865 -6.090 -2.769 366 HB3 HIS 51 HB3 HIS 51 -5.945 -6.464 -1.050 367 HD1 HIS 51 HD1 HIS 51 -8.173 -6.512 -4.042 368 HD2 HIS 51 HD2 HIS 51 -8.501 -6.060 0.133 369 HE1 HIS 51 HE1 HIS 51 -10.611 -6.912 -3.473 370 H LEU 52 H LEU 52 -3.978 -3.480 -2.597 371 HA LEU 52 HA LEU 52 -2.233 -3.812 -0.269 372 HB2 LEU 52 HB2 LEU 52 -1.773 -3.752 -2.988 373 HB3 LEU 52 HB3 LEU 52 -1.398 -2.094 -2.565 374 HG LEU 52 HG LEU 52 0.638 -3.293 -2.499 375 HD11 LEU 52 HD11 LEU 52 0.275 -1.814 -0.487 376 HD12 LEU 52 HD12 LEU 52 1.446 -3.125 -0.235 377 HD13 LEU 52 HD13 LEU 52 -0.182 -3.257 0.431 378 HD21 LEU 52 HD21 LEU 52 1.019 -5.366 -1.242 379 HD22 LEU 52 HD22 LEU 52 -0.269 -5.578 -2.438 380 HD23 LEU 52 HD23 LEU 52 -0.674 -5.392 -0.723 381 H ILE 53 H ILE 53 -4.018 -1.207 -1.895 382 HA ILE 53 HA ILE 53 -3.274 0.943 -0.116 383 HB ILE 53 HB ILE 53 -5.684 0.428 -1.853 384 HG12 ILE 53 HG12 ILE 53 -3.536 2.549 -2.212 385 HG13 ILE 53 HG13 ILE 53 -3.244 0.899 -2.767 386 HG21 ILE 53 HG21 ILE 53 -5.023 2.948 -0.269 387 HG22 ILE 53 HG22 ILE 53 -6.245 2.848 -1.552 388 HG23 ILE 53 HG23 ILE 53 -6.458 1.917 -0.081 389 HD11 ILE 53 HD11 ILE 53 -4.093 2.184 -4.609 390 HD12 ILE 53 HD12 ILE 53 -5.299 0.973 -4.113 391 HD13 ILE 53 HD13 ILE 53 -5.522 2.676 -3.669 392 H GLU 54 H GLU 54 -5.841 -1.559 0.069 393 HA GLU 54 HA GLU 54 -6.938 -0.719 2.563 394 HB2 GLU 54 HB2 GLU 54 -7.951 -2.413 1.048 395 HB3 GLU 54 HB3 GLU 54 -6.780 -3.593 1.644 396 HG2 GLU 54 HG2 GLU 54 -7.621 -3.206 3.975 397 HG3 GLU 54 HG3 GLU 54 -8.773 -2.029 3.348 398 H ALA 55 H ALA 55 -4.262 -3.014 1.962 399 HA ALA 55 HA ALA 55 -3.606 -3.510 4.693 400 HB1 ALA 55 HB1 ALA 55 -2.846 -4.865 2.764 401 HB2 ALA 55 HB2 ALA 55 -1.807 -3.531 2.228 402 HB3 ALA 55 HB3 ALA 55 -1.481 -4.343 3.774 403 H HIS 56 H HIS 56 -2.403 -0.971 2.471 404 HA HIS 56 HA HIS 56 -0.567 0.230 4.326 405 HB2 HIS 56 HB2 HIS 56 -0.408 0.541 1.911 406 HB3 HIS 56 HB3 HIS 56 -1.980 1.342 1.877 407 HD1 HIS 56 HD1 HIS 56 -1.987 3.937 2.363 408 HD2 HIS 56 HD2 HIS 56 1.631 1.953 3.232 409 HE1 HIS 56 HE1 HIS 56 -0.274 5.750 2.831 410 H LYS 57 H LYS 57 -4.013 1.090 3.518 411 HA LYS 57 HA LYS 57 -4.041 3.269 5.349 412 HB2 LYS 57 HB2 LYS 57 -6.339 3.495 4.990 413 HB3 LYS 57 HB3 LYS 57 -5.674 2.912 3.463 414 HG2 LYS 57 HG2 LYS 57 -6.452 0.644 3.992 415 HG3 LYS 57 HG3 LYS 57 -7.094 1.185 5.541 416 HD2 LYS 57 HD2 LYS 57 -8.925 0.951 4.092 417 HD3 LYS 57 HD3 LYS 57 -8.684 2.682 4.360 418 HE2 LYS 57 HE2 LYS 57 -7.619 2.913 2.164 419 HE3 LYS 57 HE3 LYS 57 -7.680 1.163 1.908 420 HZ1 LYS 57 HZ1 LYS 57 -10.119 1.301 1.985 421 HZ2 LYS 57 HZ2 LYS 57 -9.532 2.309 0.805 422 HZ3 LYS 57 HZ3 LYS 57 -10.058 2.911 2.228 423 H GLU 58 H GLU 58 -4.932 -0.157 5.864 424 HA GLU 58 HA GLU 58 -5.692 0.256 8.626 425 HB2 GLU 58 HB2 GLU 58 -4.839 -2.214 7.085 426 HB3 GLU 58 HB3 GLU 58 -5.319 -2.241 8.793 427 HG2 GLU 58 HG2 GLU 58 -7.503 -1.270 8.249 428 HG3 GLU 58 HG3 GLU 58 -7.074 -1.169 6.547 429 H SER 59 H SER 59 -2.532 -0.555 7.126 430 HA SER 59 HA SER 59 -1.022 -0.786 9.544 431 HB2 SER 59 HB2 SER 59 -0.128 0.434 6.894 432 HB3 SER 59 HB3 SER 59 0.920 -0.020 8.237 433 HG SER 59 HG SER 59 -0.730 -1.752 6.698 434 H MET 60 H MET 60 -1.511 2.191 7.501 435 HA MET 60 HA MET 60 -0.295 3.799 9.566 436 HB2 MET 60 HB2 MET 60 -1.814 4.710 7.119 437 HB3 MET 60 HB3 MET 60 -0.777 5.699 8.159 438 HG2 MET 60 HG2 MET 60 -0.010 3.547 6.202 439 HG3 MET 60 HG3 MET 60 0.525 5.224 6.300 440 HE1 MET 60 HE1 MET 60 2.950 4.398 5.718 441 HE2 MET 60 HE2 MET 60 3.841 3.166 6.641 442 HE3 MET 60 HE3 MET 60 2.412 2.702 5.694 443 H ARG 61 H ARG 61 -3.676 2.872 9.123 444 HA ARG 61 HA ARG 61 -4.745 4.766 11.025 445 HB2 ARG 61 HB2 ARG 61 -6.141 3.522 9.513 446 HB3 ARG 61 HB3 ARG 61 -5.636 1.983 10.189 447 HG2 ARG 61 HG2 ARG 61 -6.877 3.994 12.067 448 HG3 ARG 61 HG3 ARG 61 -7.934 3.249 10.872 449 HD2 ARG 61 HD2 ARG 61 -6.190 1.614 12.748 450 HD3 ARG 61 HD3 ARG 61 -7.863 2.074 13.097 451 HE ARG 61 HE ARG 61 -8.220 0.963 10.706 452 HH11 ARG 61 HH11 ARG 61 -6.296 -0.294 13.437 453 HH12 ARG 61 HH12 ARG 61 -6.622 -1.961 13.024 454 HH21 ARG 61 HH21 ARG 61 -8.579 -1.203 10.194 455 HH22 ARG 61 HH22 ARG 61 -7.901 -2.476 11.184 456 H ALA 62 H ALA 62 -3.226 1.528 11.387 457 HA ALA 62 HA ALA 62 -3.365 1.580 14.282 458 HB1 ALA 62 HB1 ALA 62 -1.873 -0.354 14.166 459 HB2 ALA 62 HB2 ALA 62 -3.214 -0.505 13.017 460 HB3 ALA 62 HB3 ALA 62 -1.589 -0.065 12.439 461 H LEU 63 H LEU 63 -1.325 3.414 12.155 462 HA LEU 63 HA LEU 63 0.440 4.099 14.479 463 HB2 LEU 63 HB2 LEU 63 0.610 4.858 11.538 464 HB3 LEU 63 HB3 LEU 63 1.561 5.588 12.808 465 HG LEU 63 HG LEU 63 2.974 4.094 11.758 466 HD11 LEU 63 HD11 LEU 63 3.680 2.561 13.479 467 HD12 LEU 63 HD12 LEU 63 2.097 2.619 14.268 468 HD13 LEU 63 HD13 LEU 63 3.143 4.062 14.235 469 HD21 LEU 63 HD21 LEU 63 1.364 2.663 10.628 470 HD22 LEU 63 HD22 LEU 63 0.960 1.871 12.163 471 HD23 LEU 63 HD23 LEU 63 2.587 1.698 11.470 472 H GLY 64 H GLY 64 -2.309 5.335 12.705 473 HA2 GLY 64 HA2 GLY 64 -3.823 6.845 13.648 474 HA3 GLY 64 HA3 GLY 64 -2.585 7.479 14.729 475 H PHE 65 H PHE 65 -1.685 7.324 11.349 476 HA PHE 65 HA PHE 65 -2.377 10.221 11.028 477 HB2 PHE 65 HB2 PHE 65 -0.218 10.540 9.853 478 HB3 PHE 65 HB3 PHE 65 -0.186 10.308 11.578 479 HD1 PHE 65 HD1 PHE 65 0.322 8.292 8.380 480 HD2 PHE 65 HD2 PHE 65 1.407 8.908 12.521 481 HE1 PHE 65 HE1 PHE 65 2.184 6.709 8.132 482 HE2 PHE 65 HE2 PHE 65 3.306 7.330 12.233 483 HZ PHE 65 HZ PHE 65 3.687 6.221 10.048 484 H LYS 66 H LYS 66 -4.118 8.349 10.148 485 HA LYS 66 HA LYS 66 -3.933 8.715 7.186 486 HB2 LYS 66 HB2 LYS 66 -2.884 6.647 7.657 487 HB3 LYS 66 HB3 LYS 66 -4.177 6.082 8.688 488 HG2 LYS 66 HG2 LYS 66 -4.287 4.909 6.667 489 HG3 LYS 66 HG3 LYS 66 -5.662 5.977 6.623 490 HD2 LYS 66 HD2 LYS 66 -3.044 6.573 5.177 491 HD3 LYS 66 HD3 LYS 66 -4.345 5.617 4.470 492 HE2 LYS 66 HE2 LYS 66 -5.912 7.582 4.816 493 HE3 LYS 66 HE3 LYS 66 -4.500 8.541 5.284 494 HZ1 LYS 66 HZ1 LYS 66 -5.004 7.311 2.635 495 HZ2 LYS 66 HZ2 LYS 66 -3.538 7.928 3.080 496 HZ3 LYS 66 HZ3 LYS 66 -4.850 8.912 3.021 497 H ILE 67 H ILE 67 -6.202 7.104 9.425 498 HA ILE 67 HA ILE 67 -8.498 8.679 8.365 499 HB ILE 67 HB ILE 67 -9.826 6.540 8.193 500 HG12 ILE 67 HG12 ILE 67 -7.093 5.193 8.179 501 HG13 ILE 67 HG13 ILE 67 -8.298 5.087 9.460 502 HG21 ILE 67 HG21 ILE 67 -7.593 6.927 6.168 503 HG22 ILE 67 HG22 ILE 67 -9.134 6.096 5.893 504 HG23 ILE 67 HG23 ILE 67 -9.121 7.816 6.249 505 HD11 ILE 67 HD11 ILE 67 -8.378 3.082 8.137 506 HD12 ILE 67 HD12 ILE 67 -9.871 3.999 7.850 507 HD13 ILE 67 HD13 ILE 67 -8.567 3.999 6.634 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 -3.484 30.825 -36.372 2 H2 GLY 1 H2 GLY 1 -4.440 29.490 -36.208 3 H3 GLY 1 H3 GLY 1 -4.666 30.492 -37.483 4 HA2 GLY 1 HA2 GLY 1 -3.533 28.477 -38.144 5 HA3 GLY 1 HA3 GLY 1 -2.553 29.933 -38.408 6 H SER 2 H SER 2 -0.728 28.548 -38.382 7 HA SER 2 HA SER 2 1.208 27.841 -37.522 8 HB2 SER 2 HB2 SER 2 0.398 29.219 -34.957 9 HB3 SER 2 HB3 SER 2 2.039 28.839 -35.517 10 HG SER 2 HG SER 2 0.986 31.053 -35.879 11 H PHE 3 H PHE 3 2.457 26.685 -35.842 12 HA PHE 3 HA PHE 3 0.951 24.456 -34.571 13 HB2 PHE 3 HB2 PHE 3 1.397 23.483 -36.617 14 HB3 PHE 3 HB3 PHE 3 2.843 24.429 -36.893 15 HD1 PHE 3 HD1 PHE 3 1.590 21.654 -34.661 16 HD2 PHE 3 HD2 PHE 3 4.941 23.473 -36.674 17 HE1 PHE 3 HE1 PHE 3 3.069 19.805 -33.902 18 HE2 PHE 3 HE2 PHE 3 6.395 21.592 -35.951 19 HZ PHE 3 HZ PHE 3 5.449 19.747 -34.582 20 H THR 4 H THR 4 1.895 23.549 -32.795 21 HA THR 4 HA THR 4 4.570 24.530 -31.884 22 HB THR 4 HB THR 4 3.624 23.991 -29.530 23 HG1 THR 4 HG1 THR 4 1.542 23.960 -29.289 24 HG21 THR 4 HG21 THR 4 2.746 26.471 -31.069 25 HG22 THR 4 HG22 THR 4 4.291 26.238 -30.224 26 HG23 THR 4 HG23 THR 4 2.786 26.311 -29.298 27 H MET 5 H MET 5 6.046 23.075 -31.489 28 HA MET 5 HA MET 5 5.441 20.239 -31.984 29 HB2 MET 5 HB2 MET 5 7.158 21.309 -33.292 30 HB3 MET 5 HB3 MET 5 8.011 21.834 -31.847 31 HG2 MET 5 HG2 MET 5 9.103 19.913 -32.872 32 HG3 MET 5 HG3 MET 5 8.529 19.505 -31.261 33 HE1 MET 5 HE1 MET 5 9.473 17.475 -33.733 34 HE2 MET 5 HE2 MET 5 9.173 17.028 -32.038 35 HE3 MET 5 HE3 MET 5 8.353 16.148 -33.345 36 HA PRO 6 HA PRO 6 5.618 19.933 -27.487 37 HB2 PRO 6 HB2 PRO 6 4.128 17.722 -27.085 38 HB3 PRO 6 HB3 PRO 6 3.421 19.198 -27.811 39 HG2 PRO 6 HG2 PRO 6 4.497 16.746 -29.260 40 HG3 PRO 6 HG3 PRO 6 2.901 17.537 -29.471 41 HD2 PRO 6 HD2 PRO 6 5.055 18.097 -31.078 42 HD3 PRO 6 HD3 PRO 6 3.829 19.323 -30.647 43 H GLY 7 H GLY 7 6.241 18.432 -25.747 44 HA2 GLY 7 HA2 GLY 7 7.520 16.737 -24.769 45 HA3 GLY 7 HA3 GLY 7 7.905 16.085 -26.364 46 H LEU 8 H LEU 8 8.503 19.406 -25.981 47 HA LEU 8 HA LEU 8 11.338 19.236 -26.345 48 HB2 LEU 8 HB2 LEU 8 11.246 21.587 -26.597 49 HB3 LEU 8 HB3 LEU 8 9.907 20.860 -27.464 50 HG LEU 8 HG LEU 8 9.684 22.203 -24.743 51 HD11 LEU 8 HD11 LEU 8 8.868 23.235 -27.488 52 HD12 LEU 8 HD12 LEU 8 10.307 23.759 -26.586 53 HD13 LEU 8 HD13 LEU 8 8.694 24.088 -25.937 54 HD21 LEU 8 HD21 LEU 8 7.209 22.342 -25.429 55 HD22 LEU 8 HD22 LEU 8 7.779 20.770 -24.911 56 HD23 LEU 8 HD23 LEU 8 7.572 21.134 -26.657 57 H VAL 9 H VAL 9 10.662 18.030 -23.838 58 HA VAL 9 HA VAL 9 12.377 19.510 -21.964 59 HB VAL 9 HB VAL 9 9.572 18.629 -21.138 60 HG11 VAL 9 HG11 VAL 9 11.767 20.072 -19.585 61 HG12 VAL 9 HG12 VAL 9 10.141 19.695 -18.987 62 HG13 VAL 9 HG13 VAL 9 11.257 18.385 -19.335 63 HG21 VAL 9 HG21 VAL 9 10.674 21.458 -21.392 64 HG22 VAL 9 HG22 VAL 9 9.383 20.743 -22.390 65 HG23 VAL 9 HG23 VAL 9 9.117 21.013 -20.671 66 H ASP 10 H ASP 10 13.838 17.971 -21.495 67 HA ASP 10 HA ASP 10 13.195 15.120 -21.307 68 HB2 ASP 10 HB2 ASP 10 15.629 16.750 -20.542 69 HB3 ASP 10 HB3 ASP 10 15.442 15.067 -20.040 70 H SER 11 H SER 11 11.852 14.407 -19.932 71 HA SER 11 HA SER 11 11.320 15.741 -17.322 72 HB2 SER 11 HB2 SER 11 9.512 14.032 -19.059 73 HB3 SER 11 HB3 SER 11 9.045 14.945 -17.612 74 HG SER 11 HG SER 11 10.120 16.062 -20.019 75 H ASN 12 H ASN 12 13.338 13.641 -17.796 76 HA ASN 12 HA ASN 12 12.801 11.775 -15.616 77 HB2 ASN 12 HB2 ASN 12 11.697 10.690 -17.576 78 HB3 ASN 12 HB3 ASN 12 13.146 10.933 -18.542 79 HD21 ASN 12 HD21 ASN 12 13.711 8.841 -19.002 80 HD22 ASN 12 HD22 ASN 12 14.119 7.658 -17.783 81 HA PRO 13 HA PRO 13 17.319 12.504 -15.888 82 HB2 PRO 13 HB2 PRO 13 18.215 11.278 -13.652 83 HB3 PRO 13 HB3 PRO 13 17.193 12.743 -13.566 84 HG2 PRO 13 HG2 PRO 13 16.332 9.853 -13.298 85 HG3 PRO 13 HG3 PRO 13 15.925 11.230 -12.227 86 HD2 PRO 13 HD2 PRO 13 14.276 10.349 -14.238 87 HD3 PRO 13 HD3 PRO 13 14.337 12.054 -13.732 88 H ALA 14 H ALA 14 19.362 11.199 -15.991 89 HA ALA 14 HA ALA 14 19.230 8.931 -17.653 90 HB1 ALA 14 HB1 ALA 14 21.150 10.410 -17.558 91 HB2 ALA 14 HB2 ALA 14 21.451 9.977 -15.855 92 HB3 ALA 14 HB3 ALA 14 21.657 8.773 -17.138 93 HA PRO 15 HA PRO 15 18.762 5.540 -14.794 94 HB2 PRO 15 HB2 PRO 15 20.629 3.874 -16.419 95 HB3 PRO 15 HB3 PRO 15 18.906 3.592 -16.030 96 HG2 PRO 15 HG2 PRO 15 19.694 4.370 -18.528 97 HG3 PRO 15 HG3 PRO 15 18.187 5.015 -17.792 98 HD2 PRO 15 HD2 PRO 15 20.948 6.282 -17.811 99 HD3 PRO 15 HD3 PRO 15 19.391 6.997 -18.317 100 HA PRO 16 HA PRO 16 22.677 5.539 -12.457 101 HB2 PRO 16 HB2 PRO 16 21.934 4.151 -10.252 102 HB3 PRO 16 HB3 PRO 16 21.295 5.795 -10.584 103 HG2 PRO 16 HG2 PRO 16 20.009 3.121 -11.207 104 HG3 PRO 16 HG3 PRO 16 19.274 4.533 -10.377 105 HD2 PRO 16 HD2 PRO 16 18.947 4.019 -13.059 106 HD3 PRO 16 HD3 PRO 16 18.993 5.683 -12.399 107 H GLU 17 H GLU 17 24.216 3.980 -11.635 108 HA GLU 17 HA GLU 17 24.021 1.229 -12.821 109 HB2 GLU 17 HB2 GLU 17 26.251 1.450 -13.737 110 HB3 GLU 17 HB3 GLU 17 25.194 2.705 -14.383 111 HG2 GLU 17 HG2 GLU 17 26.177 4.289 -12.615 112 HG3 GLU 17 HG3 GLU 17 27.363 3.028 -12.268 113 H SER 18 H SER 18 25.543 3.336 -10.393 114 HA SER 18 HA SER 18 26.905 1.147 -9.009 115 HB2 SER 18 HB2 SER 18 26.378 4.008 -8.102 116 HB3 SER 18 HB3 SER 18 27.570 2.873 -7.440 117 HG SER 18 HG SER 18 28.453 4.408 -8.901 118 H GLN 19 H GLN 19 25.751 -0.279 -7.781 119 HA GLN 19 HA GLN 19 23.300 0.693 -6.355 120 HB2 GLN 19 HB2 GLN 19 23.075 -0.803 -8.429 121 HB3 GLN 19 HB3 GLN 19 23.780 -2.091 -7.451 122 HG2 GLN 19 HG2 GLN 19 21.882 -1.804 -5.811 123 HG3 GLN 19 HG3 GLN 19 21.208 -0.550 -6.854 124 HE21 GLN 19 HE21 GLN 19 21.922 -4.023 -6.611 125 HE22 GLN 19 HE22 GLN 19 20.963 -4.492 -8.032 126 H GLU 20 H GLU 20 22.905 -0.025 -4.286 127 HA GLU 20 HA GLU 20 24.231 -2.356 -3.262 128 HB2 GLU 20 HB2 GLU 20 25.906 -0.435 -2.774 129 HB3 GLU 20 HB3 GLU 20 24.742 0.127 -1.573 130 HG2 GLU 20 HG2 GLU 20 24.771 -2.208 -0.596 131 HG3 GLU 20 HG3 GLU 20 26.028 -2.632 -1.757 132 H LYS 21 H LYS 21 21.985 -2.919 -3.439 133 HA LYS 21 HA LYS 21 19.930 -1.652 -1.842 134 HB2 LYS 21 HB2 LYS 21 19.452 -2.957 -3.873 135 HB3 LYS 21 HB3 LYS 21 20.032 -4.431 -3.085 136 HG2 LYS 21 HG2 LYS 21 18.210 -4.288 -1.428 137 HG3 LYS 21 HG3 LYS 21 17.652 -2.764 -2.140 138 HD2 LYS 21 HD2 LYS 21 17.134 -3.906 -4.248 139 HD3 LYS 21 HD3 LYS 21 17.764 -5.439 -3.609 140 HE2 LYS 21 HE2 LYS 21 15.987 -5.480 -1.912 141 HE3 LYS 21 HE3 LYS 21 15.398 -3.899 -2.453 142 HZ1 LYS 21 HZ1 LYS 21 14.879 -4.910 -4.611 143 HZ2 LYS 21 HZ2 LYS 21 14.083 -5.706 -3.423 144 HZ3 LYS 21 HZ3 LYS 21 15.428 -6.353 -4.136 145 H LYS 22 H LYS 22 19.344 -1.948 0.216 146 HA LYS 22 HA LYS 22 20.716 -4.047 1.883 147 HB2 LYS 22 HB2 LYS 22 19.773 -1.280 2.721 148 HB3 LYS 22 HB3 LYS 22 20.567 -2.439 3.769 149 HG2 LYS 22 HG2 LYS 22 21.882 -1.098 1.360 150 HG3 LYS 22 HG3 LYS 22 21.966 -0.536 3.013 151 HD2 LYS 22 HD2 LYS 22 23.990 -1.584 2.662 152 HD3 LYS 22 HD3 LYS 22 23.080 -2.728 3.650 153 HE2 LYS 22 HE2 LYS 22 22.719 -4.184 1.748 154 HE3 LYS 22 HE3 LYS 22 23.230 -2.931 0.614 155 HZ1 LYS 22 HZ1 LYS 22 24.982 -4.566 0.972 156 HZ2 LYS 22 HZ2 LYS 22 24.995 -4.273 2.587 157 HZ3 LYS 22 HZ3 LYS 22 25.477 -3.103 1.515 158 HA PRO 23 HA PRO 23 16.612 -5.409 2.955 159 HB2 PRO 23 HB2 PRO 23 16.921 -6.478 5.447 160 HB3 PRO 23 HB3 PRO 23 17.575 -7.235 3.961 161 HG2 PRO 23 HG2 PRO 23 19.035 -5.491 5.960 162 HG3 PRO 23 HG3 PRO 23 19.567 -7.044 5.252 163 HD2 PRO 23 HD2 PRO 23 20.400 -4.635 4.281 164 HD3 PRO 23 HD3 PRO 23 20.117 -6.031 3.203 165 H LEU 24 H LEU 24 14.851 -4.275 3.559 166 HA LEU 24 HA LEU 24 14.957 -1.759 4.794 167 HB2 LEU 24 HB2 LEU 24 13.240 -2.630 3.195 168 HB3 LEU 24 HB3 LEU 24 12.634 -3.696 4.447 169 HG LEU 24 HG LEU 24 12.050 -1.592 5.805 170 HD11 LEU 24 HD11 LEU 24 13.472 0.019 4.569 171 HD12 LEU 24 HD12 LEU 24 11.769 0.479 4.486 172 HD13 LEU 24 HD13 LEU 24 12.555 -0.298 3.086 173 HD21 LEU 24 HD21 LEU 24 10.008 -1.170 4.450 174 HD22 LEU 24 HD22 LEU 24 10.351 -2.893 4.662 175 HD23 LEU 24 HD23 LEU 24 10.727 -2.107 3.117 176 H LYS 25 H LYS 25 14.698 -0.981 6.829 177 HA LYS 25 HA LYS 25 13.864 -2.818 9.031 178 HB2 LYS 25 HB2 LYS 25 15.394 -0.209 9.286 179 HB3 LYS 25 HB3 LYS 25 14.953 -1.326 10.588 180 HG2 LYS 25 HG2 LYS 25 16.334 -3.105 9.415 181 HG3 LYS 25 HG3 LYS 25 16.929 -1.828 8.344 182 HD2 LYS 25 HD2 LYS 25 17.268 -1.977 11.372 183 HD3 LYS 25 HD3 LYS 25 18.508 -2.262 10.145 184 HE2 LYS 25 HE2 LYS 25 18.174 0.135 9.367 185 HE3 LYS 25 HE3 LYS 25 17.117 0.385 10.767 186 HZ1 LYS 25 HZ1 LYS 25 19.063 -0.260 12.188 187 HZ2 LYS 25 HZ2 LYS 25 19.409 1.054 11.268 188 HZ3 LYS 25 HZ3 LYS 25 19.971 -0.404 10.826 189 HA PRO 26 HA PRO 26 10.111 -0.616 9.287 190 HB2 PRO 26 HB2 PRO 26 10.182 -0.868 12.282 191 HB3 PRO 26 HB3 PRO 26 8.897 -1.353 11.134 192 HG2 PRO 26 HG2 PRO 26 10.536 -3.213 12.221 193 HG3 PRO 26 HG3 PRO 26 10.102 -3.300 10.482 194 HD2 PRO 26 HD2 PRO 26 12.626 -2.174 11.735 195 HD3 PRO 26 HD3 PRO 26 12.439 -3.296 10.358 196 H CYS 27 H CYS 27 12.619 0.615 11.483 197 HA CYS 27 HA CYS 27 12.864 2.465 12.710 198 HB2 CYS 27 HB2 CYS 27 13.187 3.348 10.384 199 HB3 CYS 27 HB3 CYS 27 11.541 3.984 10.444 200 HG CYS 27 HG CYS 27 13.372 5.863 10.906 201 H CYS 28 H CYS 28 10.439 4.662 12.298 202 HA CYS 28 HA CYS 28 9.075 3.574 14.691 203 HB2 CYS 28 HB2 CYS 28 9.171 6.387 13.556 204 HB3 CYS 28 HB3 CYS 28 8.341 5.894 15.044 205 HG CYS 28 HG CYS 28 11.445 6.387 14.356 206 H ALA 29 H ALA 29 8.322 2.614 11.907 207 HA ALA 29 HA ALA 29 5.394 2.847 12.218 208 HB1 ALA 29 HB1 ALA 29 5.043 3.790 9.998 209 HB2 ALA 29 HB2 ALA 29 6.146 4.847 10.876 210 HB3 ALA 29 HB3 ALA 29 6.790 3.730 9.654 211 H SER 30 H SER 30 4.838 1.899 9.563 212 HA SER 30 HA SER 30 6.047 -0.837 9.414 213 HB2 SER 30 HB2 SER 30 3.130 -0.092 8.969 214 HB3 SER 30 HB3 SER 30 3.841 -1.707 8.765 215 HG SER 30 HG SER 30 2.755 -1.149 10.867 216 HA PRO 31 HA PRO 31 6.517 1.733 5.523 217 HB2 PRO 31 HB2 PRO 31 9.184 1.236 5.017 218 HB3 PRO 31 HB3 PRO 31 8.591 2.500 6.136 219 HG2 PRO 31 HG2 PRO 31 9.429 -0.337 6.851 220 HG3 PRO 31 HG3 PRO 31 10.008 1.207 7.569 221 HD2 PRO 31 HD2 PRO 31 8.041 -0.153 8.770 222 HD3 PRO 31 HD3 PRO 31 7.880 1.613 8.580 223 H GLU 32 H GLU 32 7.173 -1.703 6.094 224 HA GLU 32 HA GLU 32 7.679 -2.592 3.468 225 HB2 GLU 32 HB2 GLU 32 6.953 -4.745 4.222 226 HB3 GLU 32 HB3 GLU 32 7.772 -3.938 5.550 227 HG2 GLU 32 HG2 GLU 32 5.274 -3.209 6.202 228 HG3 GLU 32 HG3 GLU 32 4.841 -4.606 5.220 229 H THR 33 H THR 33 4.775 -1.122 4.615 230 HA THR 33 HA THR 33 2.933 -2.394 2.696 231 HB THR 33 HB THR 33 1.280 -0.830 3.643 232 HG1 THR 33 HG1 THR 33 3.145 -0.085 5.616 233 HG21 THR 33 HG21 THR 33 1.141 -1.743 5.898 234 HG22 THR 33 HG22 THR 33 2.833 -2.270 5.843 235 HG23 THR 33 HG23 THR 33 1.630 -3.012 4.769 236 H LYS 34 H LYS 34 4.345 0.853 3.280 237 HA LYS 34 HA LYS 34 3.391 1.923 0.777 238 HB2 LYS 34 HB2 LYS 34 4.664 3.840 1.239 239 HB3 LYS 34 HB3 LYS 34 3.871 3.338 2.720 240 HG2 LYS 34 HG2 LYS 34 5.978 2.462 3.579 241 HG3 LYS 34 HG3 LYS 34 6.809 2.824 2.050 242 HD2 LYS 34 HD2 LYS 34 6.328 5.247 2.402 243 HD3 LYS 34 HD3 LYS 34 5.577 4.851 3.965 244 HE2 LYS 34 HE2 LYS 34 7.717 3.841 4.725 245 HE3 LYS 34 HE3 LYS 34 8.466 4.252 3.173 246 HZ1 LYS 34 HZ1 LYS 34 8.911 5.872 4.959 247 HZ2 LYS 34 HZ2 LYS 34 7.313 6.265 5.032 248 HZ3 LYS 34 HZ3 LYS 34 8.134 6.578 3.668 249 H LYS 35 H LYS 35 6.332 0.174 1.621 250 HA LYS 35 HA LYS 35 7.643 0.475 -0.953 251 HB2 LYS 35 HB2 LYS 35 7.919 -1.341 1.435 252 HB3 LYS 35 HB3 LYS 35 8.577 -1.905 -0.091 253 HG2 LYS 35 HG2 LYS 35 10.276 -0.784 1.266 254 HG3 LYS 35 HG3 LYS 35 10.049 -0.042 -0.305 255 HD2 LYS 35 HD2 LYS 35 8.731 1.806 0.753 256 HD3 LYS 35 HD3 LYS 35 8.949 1.034 2.328 257 HE2 LYS 35 HE2 LYS 35 10.518 2.848 2.073 258 HE3 LYS 35 HE3 LYS 35 11.393 1.326 2.164 259 HZ1 LYS 35 HZ1 LYS 35 11.882 1.428 -0.117 260 HZ2 LYS 35 HZ2 LYS 35 12.088 2.967 0.409 261 HZ3 LYS 35 HZ3 LYS 35 10.737 2.571 -0.448 262 H ALA 36 H ALA 36 5.518 -2.208 0.276 263 HA ALA 36 HA ALA 36 5.367 -3.461 -2.280 264 HB1 ALA 36 HB1 ALA 36 4.807 -4.679 -0.316 265 HB2 ALA 36 HB2 ALA 36 3.532 -3.535 0.141 266 HB3 ALA 36 HB3 ALA 36 3.343 -4.579 -1.294 267 H ARG 37 H ARG 37 3.368 -0.815 -0.931 268 HA ARG 37 HA ARG 37 1.508 -0.594 -3.066 269 HB2 ARG 37 HB2 ARG 37 1.437 0.555 -0.830 270 HB3 ARG 37 HB3 ARG 37 2.669 1.675 -1.407 271 HG2 ARG 37 HG2 ARG 37 1.131 2.440 -3.198 272 HG3 ARG 37 HG3 ARG 37 -0.100 1.283 -2.623 273 HD2 ARG 37 HD2 ARG 37 -0.095 2.405 -0.402 274 HD3 ARG 37 HD3 ARG 37 1.129 3.547 -0.991 275 HE ARG 37 HE ARG 37 -1.396 3.382 -2.508 276 HH11 ARG 37 HH11 ARG 37 0.492 5.180 -0.074 277 HH12 ARG 37 HH12 ARG 37 -0.499 6.616 -0.210 278 HH21 ARG 37 HH21 ARG 37 -2.682 5.258 -2.618 279 HH22 ARG 37 HH22 ARG 37 -2.299 6.651 -1.632 280 H ASP 38 H ASP 38 4.698 1.094 -2.668 281 HA ASP 38 HA ASP 38 4.699 2.496 -5.115 282 HB2 ASP 38 HB2 ASP 38 6.308 2.733 -3.166 283 HB3 ASP 38 HB3 ASP 38 7.109 1.266 -3.706 284 H ALA 39 H ALA 39 5.929 -0.807 -4.413 285 HA ALA 39 HA ALA 39 6.784 -1.424 -7.042 286 HB1 ALA 39 HB1 ALA 39 7.469 -2.710 -5.105 287 HB2 ALA 39 HB2 ALA 39 5.790 -3.174 -4.751 288 HB3 ALA 39 HB3 ALA 39 6.589 -3.788 -6.208 289 H CYS 40 H CYS 40 3.563 -1.985 -5.527 290 HA CYS 40 HA CYS 40 2.419 -3.281 -7.839 291 HB2 CYS 40 HB2 CYS 40 1.682 -3.496 -5.455 292 HB3 CYS 40 HB3 CYS 40 1.006 -1.873 -5.537 293 H ILE 41 H ILE 41 2.342 0.123 -6.696 294 HA ILE 41 HA ILE 41 0.717 1.114 -8.855 295 HB ILE 41 HB ILE 41 2.433 2.338 -6.707 296 HG12 ILE 41 HG12 ILE 41 0.358 3.528 -6.183 297 HG13 ILE 41 HG13 ILE 41 -0.394 2.929 -7.660 298 HG21 ILE 41 HG21 ILE 41 1.923 4.616 -7.548 299 HG22 ILE 41 HG22 ILE 41 3.043 3.759 -8.598 300 HG23 ILE 41 HG23 ILE 41 1.328 3.919 -9.069 301 HD11 ILE 41 HD11 ILE 41 0.343 1.190 -5.287 302 HD12 ILE 41 HD12 ILE 41 -1.260 1.839 -5.633 303 HD13 ILE 41 HD13 ILE 41 -0.525 0.685 -6.754 304 H ILE 42 H ILE 42 4.295 0.750 -8.525 305 HA ILE 42 HA ILE 42 4.859 1.896 -11.103 306 HB ILE 42 HB ILE 42 6.315 -0.026 -9.290 307 HG12 ILE 42 HG12 ILE 42 6.178 2.429 -8.732 308 HG13 ILE 42 HG13 ILE 42 7.796 1.772 -8.873 309 HG21 ILE 42 HG21 ILE 42 7.274 0.832 -12.040 310 HG22 ILE 42 HG22 ILE 42 8.332 0.199 -10.760 311 HG23 ILE 42 HG23 ILE 42 7.055 -0.817 -11.429 312 HD11 ILE 42 HD11 ILE 42 8.069 2.851 -11.078 313 HD12 ILE 42 HD12 ILE 42 6.402 3.469 -10.989 314 HD13 ILE 42 HD13 ILE 42 7.624 4.021 -9.831 315 H GLU 43 H GLU 43 4.141 -1.519 -10.213 316 HA GLU 43 HA GLU 43 4.353 -2.506 -12.917 317 HB2 GLU 43 HB2 GLU 43 3.000 -3.531 -10.401 318 HB3 GLU 43 HB3 GLU 43 2.912 -4.414 -11.923 319 HG2 GLU 43 HG2 GLU 43 5.496 -3.676 -10.515 320 HG3 GLU 43 HG3 GLU 43 4.688 -5.240 -10.395 321 H LYS 44 H LYS 44 1.464 -1.509 -11.048 322 HA LYS 44 HA LYS 44 -0.232 -1.915 -13.501 323 HB2 LYS 44 HB2 LYS 44 -0.979 -2.426 -10.611 324 HB3 LYS 44 HB3 LYS 44 -1.889 -2.854 -12.060 325 HG2 LYS 44 HG2 LYS 44 -0.224 -4.530 -12.693 326 HG3 LYS 44 HG3 LYS 44 0.726 -4.148 -11.235 327 HD2 LYS 44 HD2 LYS 44 -1.154 -4.748 -9.795 328 HD3 LYS 44 HD3 LYS 44 -2.147 -5.150 -11.193 329 HE2 LYS 44 HE2 LYS 44 0.480 -6.553 -10.517 330 HE3 LYS 44 HE3 LYS 44 -1.101 -7.083 -9.937 331 HZ1 LYS 44 HZ1 LYS 44 -0.623 -8.313 -11.883 332 HZ2 LYS 44 HZ2 LYS 44 -0.256 -6.975 -12.779 333 HZ3 LYS 44 HZ3 LYS 44 -1.800 -7.246 -12.302 334 H GLY 45 H GLY 45 0.393 0.350 -10.908 335 HA2 GLY 45 HA2 GLY 45 -0.524 2.500 -10.618 336 HA3 GLY 45 HA3 GLY 45 -1.764 2.142 -11.814 337 H GLU 46 H GLU 46 -2.326 3.504 -9.416 338 HA GLU 46 HA GLU 46 -3.025 2.048 -7.150 339 HB2 GLU 46 HB2 GLU 46 -4.482 4.451 -8.312 340 HB3 GLU 46 HB3 GLU 46 -4.692 3.869 -6.675 341 HG2 GLU 46 HG2 GLU 46 -1.874 4.498 -7.398 342 HG3 GLU 46 HG3 GLU 46 -2.976 5.845 -7.502 343 H GLU 47 H GLU 47 -5.034 2.490 -10.055 344 HA GLU 47 HA GLU 47 -7.486 1.533 -9.128 345 HB2 GLU 47 HB2 GLU 47 -8.019 1.122 -11.496 346 HB3 GLU 47 HB3 GLU 47 -7.278 2.681 -11.225 347 HG2 GLU 47 HG2 GLU 47 -5.118 1.866 -12.069 348 HG3 GLU 47 HG3 GLU 47 -5.798 0.246 -12.266 349 H HIS 48 H HIS 48 -4.682 -0.419 -9.688 350 HA HIS 48 HA HIS 48 -6.263 -2.961 -9.745 351 HB2 HIS 48 HB2 HIS 48 -3.410 -2.268 -10.489 352 HB3 HIS 48 HB3 HIS 48 -4.050 -3.910 -10.482 353 HD1 HIS 48 HD1 HIS 48 -3.539 -1.192 -12.877 354 HD2 HIS 48 HD2 HIS 48 -6.299 -4.299 -12.193 355 HE1 HIS 48 HE1 HIS 48 -4.709 -1.617 -15.105 356 H CYS 49 H CYS 49 -4.753 -1.056 -7.448 357 HA CYS 49 HA CYS 49 -3.587 -3.352 -5.929 358 HB2 CYS 49 HB2 CYS 49 -2.776 -0.442 -6.045 359 HB3 CYS 49 HB3 CYS 49 -1.993 -1.677 -5.061 360 H GLY 50 H GLY 50 -6.377 -2.672 -5.667 361 HA2 GLY 50 HA2 GLY 50 -7.005 -0.799 -3.708 362 HA3 GLY 50 HA3 GLY 50 -8.006 -2.192 -4.122 363 H HIS 51 H HIS 51 -6.332 -4.301 -3.100 364 HA HIS 51 HA HIS 51 -6.833 -4.119 -0.254 365 HB2 HIS 51 HB2 HIS 51 -6.852 -6.271 -1.507 366 HB3 HIS 51 HB3 HIS 51 -5.114 -6.126 -1.773 367 HD1 HIS 51 HD1 HIS 51 -3.816 -7.602 -0.004 368 HD2 HIS 51 HD2 HIS 51 -7.435 -5.944 1.389 369 HE1 HIS 51 HE1 HIS 51 -4.083 -8.370 2.405 370 H LEU 52 H LEU 52 -3.906 -3.663 -2.287 371 HA LEU 52 HA LEU 52 -2.110 -3.430 -0.085 372 HB2 LEU 52 HB2 LEU 52 -1.887 -3.491 -2.870 373 HB3 LEU 52 HB3 LEU 52 -1.482 -1.826 -2.521 374 HG LEU 52 HG LEU 52 0.549 -3.035 -2.585 375 HD11 LEU 52 HD11 LEU 52 -0.042 -2.831 0.399 376 HD12 LEU 52 HD12 LEU 52 0.323 -1.446 -0.643 377 HD13 LEU 52 HD13 LEU 52 1.521 -2.725 -0.406 378 HD21 LEU 52 HD21 LEU 52 1.021 -5.052 -1.264 379 HD22 LEU 52 HD22 LEU 52 -0.354 -5.312 -2.346 380 HD23 LEU 52 HD23 LEU 52 -0.627 -5.044 -0.613 381 H ILE 53 H ILE 53 -3.974 -0.967 -1.841 382 HA ILE 53 HA ILE 53 -3.128 1.352 -0.367 383 HB ILE 53 HB ILE 53 -5.631 0.671 -1.917 384 HG12 ILE 53 HG12 ILE 53 -3.383 2.620 -2.618 385 HG13 ILE 53 HG13 ILE 53 -3.278 0.911 -3.025 386 HG21 ILE 53 HG21 ILE 53 -6.240 2.449 -0.280 387 HG22 ILE 53 HG22 ILE 53 -4.861 3.424 -0.841 388 HG23 ILE 53 HG23 ILE 53 -6.216 3.067 -1.919 389 HD11 ILE 53 HD11 ILE 53 -5.403 2.832 -4.005 390 HD12 ILE 53 HD12 ILE 53 -4.111 2.049 -4.936 391 HD13 ILE 53 HD13 ILE 53 -5.429 1.067 -4.253 392 H GLU 54 H GLU 54 -5.827 -0.954 0.141 393 HA GLU 54 HA GLU 54 -6.830 0.295 2.505 394 HB2 GLU 54 HB2 GLU 54 -8.063 -1.334 1.102 395 HB3 GLU 54 HB3 GLU 54 -7.087 -2.640 1.800 396 HG2 GLU 54 HG2 GLU 54 -7.915 -2.089 4.051 397 HG3 GLU 54 HG3 GLU 54 -8.734 -0.653 3.434 398 H ALA 55 H ALA 55 -4.473 -2.359 2.146 399 HA ALA 55 HA ALA 55 -4.020 -2.864 4.907 400 HB1 ALA 55 HB1 ALA 55 -3.407 -4.417 3.100 401 HB2 ALA 55 HB2 ALA 55 -2.201 -3.264 2.486 402 HB3 ALA 55 HB3 ALA 55 -1.986 -4.015 4.083 403 H HIS 56 H HIS 56 -2.341 -0.633 2.637 404 HA HIS 56 HA HIS 56 -0.453 0.426 4.511 405 HB2 HIS 56 HB2 HIS 56 -0.144 0.779 2.165 406 HB3 HIS 56 HB3 HIS 56 -1.741 1.493 1.983 407 HD1 HIS 56 HD1 HIS 56 -1.800 4.046 1.945 408 HD2 HIS 56 HD2 HIS 56 1.566 2.449 3.909 409 HE1 HIS 56 HE1 HIS 56 -0.304 6.021 2.517 410 H LYS 57 H LYS 57 -3.770 1.678 3.639 411 HA LYS 57 HA LYS 57 -3.512 3.798 5.552 412 HB2 LYS 57 HB2 LYS 57 -5.734 4.421 5.100 413 HB3 LYS 57 HB3 LYS 57 -4.989 3.894 3.598 414 HG2 LYS 57 HG2 LYS 57 -6.160 1.719 3.793 415 HG3 LYS 57 HG3 LYS 57 -6.987 2.300 5.244 416 HD2 LYS 57 HD2 LYS 57 -7.766 4.290 3.761 417 HD3 LYS 57 HD3 LYS 57 -7.240 3.307 2.385 418 HE2 LYS 57 HE2 LYS 57 -8.813 1.503 3.085 419 HE3 LYS 57 HE3 LYS 57 -9.286 2.466 4.492 420 HZ1 LYS 57 HZ1 LYS 57 -9.997 4.213 2.866 421 HZ2 LYS 57 HZ2 LYS 57 -10.905 2.869 2.822 422 HZ3 LYS 57 HZ3 LYS 57 -9.777 3.141 1.638 423 H GLU 58 H GLU 58 -5.016 0.609 5.906 424 HA GLU 58 HA GLU 58 -5.909 1.114 8.620 425 HB2 GLU 58 HB2 GLU 58 -5.429 -1.496 7.132 426 HB3 GLU 58 HB3 GLU 58 -6.114 -1.366 8.765 427 HG2 GLU 58 HG2 GLU 58 -7.843 0.230 7.818 428 HG3 GLU 58 HG3 GLU 58 -7.309 -0.219 6.214 429 H SER 59 H SER 59 -2.841 -0.201 7.337 430 HA SER 59 HA SER 59 -1.736 -0.862 9.917 431 HB2 SER 59 HB2 SER 59 -0.334 -0.048 7.344 432 HB3 SER 59 HB3 SER 59 0.457 -0.723 8.783 433 HG SER 59 HG SER 59 -1.372 -1.916 7.010 434 H MET 60 H MET 60 -1.533 2.194 7.942 435 HA MET 60 HA MET 60 -0.206 3.549 10.155 436 HB2 MET 60 HB2 MET 60 -1.550 4.757 7.738 437 HB3 MET 60 HB3 MET 60 -0.554 5.606 8.926 438 HG2 MET 60 HG2 MET 60 0.281 3.653 6.814 439 HG3 MET 60 HG3 MET 60 0.863 5.286 7.173 440 HE1 MET 60 HE1 MET 60 3.263 4.373 6.580 441 HE2 MET 60 HE2 MET 60 4.046 3.014 7.417 442 HE3 MET 60 HE3 MET 60 2.640 2.720 6.370 443 H ARG 61 H ARG 61 -3.648 2.978 9.510 444 HA ARG 61 HA ARG 61 -4.589 4.791 11.551 445 HB2 ARG 61 HB2 ARG 61 -6.046 3.715 9.906 446 HB3 ARG 61 HB3 ARG 61 -5.741 2.139 10.612 447 HG2 ARG 61 HG2 ARG 61 -6.822 2.704 12.671 448 HG3 ARG 61 HG3 ARG 61 -6.990 4.405 12.200 449 HD2 ARG 61 HD2 ARG 61 -8.650 3.896 10.562 450 HD3 ARG 61 HD3 ARG 61 -8.214 2.182 10.537 451 HE ARG 61 HE ARG 61 -9.632 1.774 12.245 452 HH11 ARG 61 HH11 ARG 61 -9.017 5.289 12.335 453 HH12 ARG 61 HH12 ARG 61 -10.216 5.561 13.580 454 HH21 ARG 61 HH21 ARG 61 -11.145 2.176 13.856 455 HH22 ARG 61 HH22 ARG 61 -11.418 3.804 14.436 456 H ALA 62 H ALA 62 -3.337 1.428 11.698 457 HA ALA 62 HA ALA 62 -3.553 1.232 14.566 458 HB1 ALA 62 HB1 ALA 62 -1.580 -0.206 12.750 459 HB2 ALA 62 HB2 ALA 62 -2.084 -0.667 14.380 460 HB3 ALA 62 HB3 ALA 62 -3.256 -0.714 13.052 461 H LEU 63 H LEU 63 -1.325 3.147 12.583 462 HA LEU 63 HA LEU 63 0.309 3.703 15.031 463 HB2 LEU 63 HB2 LEU 63 0.639 4.594 12.140 464 HB3 LEU 63 HB3 LEU 63 1.520 5.274 13.485 465 HG LEU 63 HG LEU 63 2.993 3.798 12.475 466 HD11 LEU 63 HD11 LEU 63 2.892 3.681 14.995 467 HD12 LEU 63 HD12 LEU 63 3.609 2.266 14.205 468 HD13 LEU 63 HD13 LEU 63 1.955 2.183 14.829 469 HD21 LEU 63 HD21 LEU 63 2.593 1.416 12.086 470 HD22 LEU 63 HD22 LEU 63 1.435 2.422 11.197 471 HD23 LEU 63 HD23 LEU 63 0.929 1.590 12.679 472 H GLY 64 H GLY 64 -2.537 4.798 13.580 473 HA2 GLY 64 HA2 GLY 64 -4.032 6.336 14.341 474 HA3 GLY 64 HA3 GLY 64 -2.882 6.833 15.592 475 H PHE 65 H PHE 65 -1.715 7.012 12.328 476 HA PHE 65 HA PHE 65 -2.345 9.931 12.211 477 HB2 PHE 65 HB2 PHE 65 -0.061 10.344 11.365 478 HB3 PHE 65 HB3 PHE 65 -0.249 9.936 13.045 479 HD1 PHE 65 HD1 PHE 65 0.409 7.853 9.862 480 HD2 PHE 65 HD2 PHE 65 1.572 8.878 13.909 481 HE1 PHE 65 HE1 PHE 65 2.385 6.415 9.671 482 HE2 PHE 65 HE2 PHE 65 3.572 7.431 13.680 483 HZ PHE 65 HZ PHE 65 3.991 6.209 11.560 484 H LYS 66 H LYS 66 -3.940 8.147 10.922 485 HA LYS 66 HA LYS 66 -3.506 9.101 8.176 486 HB2 LYS 66 HB2 LYS 66 -2.286 7.032 8.250 487 HB3 LYS 66 HB3 LYS 66 -3.659 6.123 8.835 488 HG2 LYS 66 HG2 LYS 66 -3.379 5.690 6.504 489 HG3 LYS 66 HG3 LYS 66 -4.799 6.706 6.568 490 HD2 LYS 66 HD2 LYS 66 -2.012 7.791 5.952 491 HD3 LYS 66 HD3 LYS 66 -3.060 7.096 4.716 492 HE2 LYS 66 HE2 LYS 66 -4.810 8.798 5.237 493 HE3 LYS 66 HE3 LYS 66 -3.708 9.560 6.383 494 HZ1 LYS 66 HZ1 LYS 66 -3.236 9.295 3.470 495 HZ2 LYS 66 HZ2 LYS 66 -2.138 9.898 4.546 496 HZ3 LYS 66 HZ3 LYS 66 -3.524 10.694 4.320 497 H ILE 67 H ILE 67 -5.906 7.045 9.934 498 HA ILE 67 HA ILE 67 -8.152 8.618 8.845 499 HB ILE 67 HB ILE 67 -9.266 6.469 7.998 500 HG12 ILE 67 HG12 ILE 67 -6.426 5.452 7.610 501 HG13 ILE 67 HG13 ILE 67 -7.388 5.062 9.026 502 HG21 ILE 67 HG21 ILE 67 -6.950 7.517 6.329 503 HG22 ILE 67 HG22 ILE 67 -8.421 6.731 5.750 504 HG23 ILE 67 HG23 ILE 67 -8.521 8.315 6.526 505 HD11 ILE 67 HD11 ILE 67 -8.191 4.409 6.180 506 HD12 ILE 67 HD12 ILE 67 -7.536 3.276 7.389 507 HD13 ILE 67 HD13 ILE 67 -9.115 4.036 7.656 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 6.084 -15.319 20.868 2 H2 GLY 1 H2 GLY 1 7.212 -15.514 22.043 3 H3 GLY 1 H3 GLY 1 6.070 -16.682 21.798 4 HA2 GLY 1 HA2 GLY 1 8.146 -17.414 20.892 5 HA3 GLY 1 HA3 GLY 1 6.967 -17.120 19.588 6 H SER 2 H SER 2 10.094 -16.748 20.292 7 HA SER 2 HA SER 2 10.445 -13.979 19.370 8 HB2 SER 2 HB2 SER 2 12.505 -15.988 20.317 9 HB3 SER 2 HB3 SER 2 12.772 -14.263 19.995 10 HG SER 2 HG SER 2 12.359 -14.206 22.066 11 H PHE 3 H PHE 3 9.700 -16.392 17.470 12 HA PHE 3 HA PHE 3 11.948 -16.238 15.531 13 HB2 PHE 3 HB2 PHE 3 9.316 -17.747 15.340 14 HB3 PHE 3 HB3 PHE 3 10.711 -17.914 14.302 15 HD1 PHE 3 HD2 PHE 3 9.288 -18.740 17.615 16 HD2 PHE 3 HD1 PHE 3 12.685 -19.191 14.996 17 HE1 PHE 3 HE2 PHE 3 10.130 -20.610 19.016 18 HE2 PHE 3 HE1 PHE 3 13.497 -21.084 16.377 19 HZ PHE 3 HZ PHE 3 12.220 -21.797 18.392 20 H THR 4 H THR 4 8.594 -15.187 15.903 21 HA THR 4 HA THR 4 8.358 -14.146 13.187 22 HB THR 4 HB THR 4 6.009 -13.560 14.027 23 HG1 THR 4 HG1 THR 4 5.423 -14.567 15.945 24 HG21 THR 4 HG21 THR 4 5.234 -15.866 14.042 25 HG22 THR 4 HG22 THR 4 6.896 -16.447 14.301 26 HG23 THR 4 HG23 THR 4 6.452 -15.624 12.790 27 H MET 5 H MET 5 10.174 -12.739 15.250 28 HA MET 5 HA MET 5 8.835 -10.264 15.886 29 HB2 MET 5 HB2 MET 5 11.774 -10.976 16.137 30 HB3 MET 5 HB3 MET 5 10.965 -9.593 16.870 31 HG2 MET 5 HG2 MET 5 9.463 -11.249 18.074 32 HG3 MET 5 HG3 MET 5 10.554 -12.518 17.523 33 HE1 MET 5 HE1 MET 5 13.261 -12.434 18.155 34 HE2 MET 5 HE2 MET 5 13.437 -10.690 17.851 35 HE3 MET 5 HE3 MET 5 13.917 -11.369 19.417 36 HA PRO 6 HA PRO 6 10.436 -7.665 12.495 37 HB2 PRO 6 HB2 PRO 6 10.263 -5.526 14.613 38 HB3 PRO 6 HB3 PRO 6 9.720 -5.474 12.909 39 HG2 PRO 6 HG2 PRO 6 7.900 -5.828 14.863 40 HG3 PRO 6 HG3 PRO 6 7.821 -6.866 13.402 41 HD2 PRO 6 HD2 PRO 6 9.083 -7.532 16.088 42 HD3 PRO 6 HD3 PRO 6 7.920 -8.488 15.116 43 H GLY 7 H GLY 7 12.484 -7.323 11.906 44 HA2 GLY 7 HA2 GLY 7 14.718 -6.394 12.263 45 HA3 GLY 7 HA3 GLY 7 14.686 -7.006 13.920 46 H LEU 8 H LEU 8 13.357 -9.244 11.726 47 HA LEU 8 HA LEU 8 15.659 -11.073 12.110 48 HB2 LEU 8 HB2 LEU 8 12.748 -11.337 11.444 49 HB3 LEU 8 HB3 LEU 8 13.826 -12.616 10.936 50 HG LEU 8 HG LEU 8 12.610 -12.859 13.169 51 HD11 LEU 8 HD11 LEU 8 14.410 -14.359 12.400 52 HD12 LEU 8 HD12 LEU 8 14.428 -14.139 14.155 53 HD13 LEU 8 HD13 LEU 8 15.615 -13.286 13.147 54 HD21 LEU 8 HD21 LEU 8 13.675 -12.062 15.177 55 HD22 LEU 8 HD22 LEU 8 13.232 -10.661 14.185 56 HD23 LEU 8 HD23 LEU 8 14.918 -11.202 14.257 57 H VAL 9 H VAL 9 16.991 -9.712 10.772 58 HA VAL 9 HA VAL 9 16.615 -10.013 7.821 59 HB VAL 9 HB VAL 9 18.346 -8.011 9.303 60 HG11 VAL 9 HG11 VAL 9 17.561 -8.257 6.356 61 HG12 VAL 9 HG12 VAL 9 18.453 -6.900 7.077 62 HG13 VAL 9 HG13 VAL 9 19.191 -8.500 7.021 63 HG21 VAL 9 HG21 VAL 9 15.970 -7.503 9.679 64 HG22 VAL 9 HG22 VAL 9 16.650 -6.358 8.523 65 HG23 VAL 9 HG23 VAL 9 15.630 -7.692 7.942 66 H ASP 10 H ASP 10 17.340 -12.052 7.626 67 HA ASP 10 HA ASP 10 20.018 -12.929 8.412 68 HB2 ASP 10 HB2 ASP 10 18.127 -14.440 8.521 69 HB3 ASP 10 HB3 ASP 10 17.796 -14.228 6.797 70 H SER 11 H SER 11 20.938 -10.986 7.205 71 HA SER 11 HA SER 11 20.907 -10.812 4.410 72 HB2 SER 11 HB2 SER 11 21.628 -9.018 5.969 73 HB3 SER 11 HB3 SER 11 23.164 -9.872 6.219 74 HG SER 11 HG SER 11 23.809 -9.329 4.265 75 H ASN 12 H ASN 12 22.188 -11.490 2.711 76 HA ASN 12 HA ASN 12 24.360 -13.443 3.137 77 HB2 ASN 12 HB2 ASN 12 21.557 -14.114 2.192 78 HB3 ASN 12 HB3 ASN 12 22.898 -14.920 1.413 79 HD21 ASN 12 HD21 ASN 12 21.170 -14.638 4.508 80 HD22 ASN 12 HD22 ASN 12 21.880 -16.123 5.135 81 HA PRO 13 HA PRO 13 25.564 -11.919 -0.962 82 HB2 PRO 13 HB2 PRO 13 27.413 -13.751 -1.701 83 HB3 PRO 13 HB3 PRO 13 27.666 -12.699 -0.280 84 HG2 PRO 13 HG2 PRO 13 26.598 -15.543 -0.330 85 HG3 PRO 13 HG3 PRO 13 27.931 -14.888 0.677 86 HD2 PRO 13 HD2 PRO 13 25.335 -15.103 1.563 87 HD3 PRO 13 HD3 PRO 13 26.439 -13.811 2.116 88 H ALA 14 H ALA 14 25.947 -12.982 -3.252 89 HA ALA 14 HA ALA 14 24.950 -13.684 -5.128 90 HB1 ALA 14 HB1 ALA 14 26.084 -15.683 -4.260 91 HB2 ALA 14 HB2 ALA 14 24.562 -16.229 -3.525 92 HB3 ALA 14 HB3 ALA 14 24.698 -16.082 -5.292 93 HA PRO 15 HA PRO 15 20.590 -13.120 -3.470 94 HB2 PRO 15 HB2 PRO 15 20.006 -10.559 -4.177 95 HB3 PRO 15 HB3 PRO 15 21.008 -10.949 -2.745 96 HG2 PRO 15 HG2 PRO 15 21.981 -10.265 -5.552 97 HG3 PRO 15 HG3 PRO 15 22.449 -9.482 -4.010 98 HD2 PRO 15 HD2 PRO 15 23.956 -11.464 -5.075 99 HD3 PRO 15 HD3 PRO 15 23.673 -11.372 -3.309 100 HA PRO 16 HA PRO 16 18.235 -13.881 -7.201 101 HB2 PRO 16 HB2 PRO 16 16.345 -11.762 -6.158 102 HB3 PRO 16 HB3 PRO 16 15.955 -13.371 -6.842 103 HG2 PRO 16 HG2 PRO 16 15.945 -13.032 -4.178 104 HG3 PRO 16 HG3 PRO 16 16.763 -14.473 -4.873 105 HD2 PRO 16 HD2 PRO 16 18.000 -11.869 -3.939 106 HD3 PRO 16 HD3 PRO 16 18.522 -13.551 -3.617 107 H GLU 17 H GLU 17 17.134 -12.853 -9.062 108 HA GLU 17 HA GLU 17 18.911 -11.090 -10.431 109 HB2 GLU 17 HB2 GLU 17 17.446 -11.446 -12.306 110 HB3 GLU 17 HB3 GLU 17 17.513 -12.946 -11.384 111 HG2 GLU 17 HG2 GLU 17 15.330 -12.102 -10.221 112 HG3 GLU 17 HG3 GLU 17 15.240 -10.913 -11.517 113 H SER 18 H SER 18 16.558 -10.167 -8.248 114 HA SER 18 HA SER 18 15.471 -7.838 -9.625 115 HB2 SER 18 HB2 SER 18 14.249 -7.594 -7.401 116 HB3 SER 18 HB3 SER 18 13.921 -9.039 -8.358 117 HG SER 18 HG SER 18 14.566 -10.200 -6.822 118 H GLN 19 H GLN 19 15.330 -5.794 -8.559 119 HA GLN 19 HA GLN 19 17.839 -4.599 -7.888 120 HB2 GLN 19 HB2 GLN 19 15.049 -3.481 -7.394 121 HB3 GLN 19 HB3 GLN 19 16.563 -2.593 -7.376 122 HG2 GLN 19 HG2 GLN 19 15.632 -2.087 -9.459 123 HG3 GLN 19 HG3 GLN 19 16.893 -3.259 -9.821 124 HE21 GLN 19 HE21 GLN 19 15.381 -3.195 -11.904 125 HE22 GLN 19 HE22 GLN 19 14.115 -4.416 -11.885 126 H GLU 20 H GLU 20 18.826 -4.113 -5.977 127 HA GLU 20 HA GLU 20 18.249 -5.546 -3.611 128 HB2 GLU 20 HB2 GLU 20 20.465 -4.601 -4.287 129 HB3 GLU 20 HB3 GLU 20 19.876 -2.984 -3.883 130 HG2 GLU 20 HG2 GLU 20 19.545 -3.722 -1.516 131 HG3 GLU 20 HG3 GLU 20 20.133 -5.328 -1.942 132 H LYS 21 H LYS 21 17.431 -4.953 -1.547 133 HA LYS 21 HA LYS 21 15.303 -3.000 -1.422 134 HB2 LYS 21 HB2 LYS 21 15.422 -5.125 -0.120 135 HB3 LYS 21 HB3 LYS 21 16.760 -4.448 0.820 136 HG2 LYS 21 HG2 LYS 21 15.239 -2.614 1.602 137 HG3 LYS 21 HG3 LYS 21 13.916 -3.333 0.661 138 HD2 LYS 21 HD2 LYS 21 14.036 -5.391 1.971 139 HD3 LYS 21 HD3 LYS 21 15.448 -4.778 2.863 140 HE2 LYS 21 HE2 LYS 21 14.163 -3.043 3.915 141 HE3 LYS 21 HE3 LYS 21 12.776 -3.351 2.864 142 HZ1 LYS 21 HZ1 LYS 21 13.821 -5.295 4.840 143 HZ2 LYS 21 HZ2 LYS 21 12.514 -5.513 3.894 144 HZ3 LYS 21 HZ3 LYS 21 12.485 -4.353 5.062 145 H LYS 22 H LYS 22 15.481 -0.904 -1.239 146 HA LYS 22 HA LYS 22 17.963 0.518 -1.061 147 HB2 LYS 22 HB2 LYS 22 15.049 1.388 -0.828 148 HB3 LYS 22 HB3 LYS 22 16.360 2.536 -0.919 149 HG2 LYS 22 HG2 LYS 22 15.996 0.474 -3.120 150 HG3 LYS 22 HG3 LYS 22 14.992 1.909 -3.038 151 HD2 LYS 22 HD2 LYS 22 16.766 2.289 -4.579 152 HD3 LYS 22 HD3 LYS 22 16.934 3.384 -3.209 153 HE2 LYS 22 HE2 LYS 22 18.792 2.117 -2.315 154 HE3 LYS 22 HE3 LYS 22 18.510 0.797 -3.460 155 HZ1 LYS 22 HZ1 LYS 22 19.364 3.544 -4.202 156 HZ2 LYS 22 HZ2 LYS 22 19.038 2.337 -5.263 157 HZ3 LYS 22 HZ3 LYS 22 20.298 2.191 -4.236 158 HA PRO 23 HA PRO 23 18.746 0.925 3.178 159 HB2 PRO 23 HB2 PRO 23 19.715 3.490 3.510 160 HB3 PRO 23 HB3 PRO 23 20.611 2.162 2.712 161 HG2 PRO 23 HG2 PRO 23 18.928 4.328 1.409 162 HG3 PRO 23 HG3 PRO 23 20.593 3.809 0.979 163 HD2 PRO 23 HD2 PRO 23 18.473 2.873 -0.379 164 HD3 PRO 23 HD3 PRO 23 19.806 1.764 0.054 165 H LEU 24 H LEU 24 18.283 1.959 5.219 166 HA LEU 24 HA LEU 24 15.856 3.641 5.386 167 HB2 LEU 24 HB2 LEU 24 15.087 1.294 5.165 168 HB3 LEU 24 HB3 LEU 24 16.132 0.817 6.499 169 HG LEU 24 HG LEU 24 14.775 2.192 8.061 170 HD11 LEU 24 HD11 LEU 24 13.864 3.882 6.470 171 HD12 LEU 24 HD12 LEU 24 12.578 3.054 7.341 172 HD13 LEU 24 HD13 LEU 24 12.931 2.610 5.657 173 HD21 LEU 24 HD21 LEU 24 13.125 0.253 6.387 174 HD22 LEU 24 HD22 LEU 24 12.842 0.715 8.082 175 HD23 LEU 24 HD23 LEU 24 14.283 -0.213 7.650 176 H LYS 25 H LYS 25 15.721 4.831 7.242 177 HA LYS 25 HA LYS 25 17.620 4.316 9.489 178 HB2 LYS 25 HB2 LYS 25 16.847 6.918 8.137 179 HB3 LYS 25 HB3 LYS 25 17.346 6.902 9.829 180 HG2 LYS 25 HG2 LYS 25 19.464 5.850 9.274 181 HG3 LYS 25 HG3 LYS 25 19.026 5.767 7.555 182 HD2 LYS 25 HD2 LYS 25 19.026 8.172 7.350 183 HD3 LYS 25 HD3 LYS 25 19.150 8.385 9.110 184 HE2 LYS 25 HE2 LYS 25 21.353 7.294 9.124 185 HE3 LYS 25 HE3 LYS 25 21.270 7.042 7.376 186 HZ1 LYS 25 HZ1 LYS 25 21.207 9.707 8.683 187 HZ2 LYS 25 HZ2 LYS 25 21.258 9.436 7.078 188 HZ3 LYS 25 HZ3 LYS 25 22.554 9.038 8.051 189 HA PRO 26 HA PRO 26 14.685 3.469 12.284 190 HB2 PRO 26 HB2 PRO 26 15.203 6.003 13.862 191 HB3 PRO 26 HB3 PRO 26 14.969 4.332 14.472 192 HG2 PRO 26 HG2 PRO 26 17.466 5.290 14.154 193 HG3 PRO 26 HG3 PRO 26 17.084 3.636 13.568 194 HD2 PRO 26 HD2 PRO 26 17.332 6.194 11.988 195 HD3 PRO 26 HD3 PRO 26 17.905 4.552 11.580 196 H CYS 27 H CYS 27 12.595 3.360 12.084 197 HA CYS 27 HA CYS 27 11.007 5.766 11.303 198 HB2 CYS 27 HB2 CYS 27 11.780 4.168 9.508 199 HB3 CYS 27 HB3 CYS 27 10.855 2.890 10.302 200 HG CYS 27 HG CYS 27 9.796 5.795 9.079 201 H CYS 28 H CYS 28 8.910 5.951 11.923 202 HA CYS 28 HA CYS 28 7.802 4.060 13.957 203 HB2 CYS 28 HB2 CYS 28 7.310 7.015 13.443 204 HB3 CYS 28 HB3 CYS 28 6.368 6.032 14.584 205 HG CYS 28 HG CYS 28 8.339 5.207 16.029 206 H ALA 29 H ALA 29 7.669 3.654 10.980 207 HA ALA 29 HA ALA 29 4.736 3.203 10.787 208 HB1 ALA 29 HB1 ALA 29 4.771 3.972 8.454 209 HB2 ALA 29 HB2 ALA 29 5.339 5.275 9.509 210 HB3 ALA 29 HB3 ALA 29 6.505 4.328 8.563 211 H SER 30 H SER 30 4.471 1.716 8.673 212 HA SER 30 HA SER 30 6.519 -0.468 8.706 213 HB2 SER 30 HB2 SER 30 3.642 -0.391 7.777 214 HB3 SER 30 HB3 SER 30 4.769 -1.701 7.382 215 HG SER 30 HG SER 30 3.587 -2.173 9.247 216 HA PRO 31 HA PRO 31 7.607 1.903 4.836 217 HB2 PRO 31 HB2 PRO 31 10.252 1.091 4.777 218 HB3 PRO 31 HB3 PRO 31 9.646 2.548 5.623 219 HG2 PRO 31 HG2 PRO 31 10.173 -0.200 6.794 220 HG3 PRO 31 HG3 PRO 31 10.668 1.403 7.439 221 HD2 PRO 31 HD2 PRO 31 8.491 0.187 8.416 222 HD3 PRO 31 HD3 PRO 31 8.453 1.931 8.083 223 H GLU 32 H GLU 32 8.106 -1.467 5.907 224 HA GLU 32 HA GLU 32 8.443 -2.684 3.372 225 HB2 GLU 32 HB2 GLU 32 7.620 -4.698 4.473 226 HB3 GLU 32 HB3 GLU 32 8.862 -3.893 5.407 227 HG2 GLU 32 HG2 GLU 32 5.961 -3.342 6.096 228 HG3 GLU 32 HG3 GLU 32 6.651 -4.902 6.503 229 H THR 33 H THR 33 5.351 -1.614 4.920 230 HA THR 33 HA THR 33 3.773 -2.887 2.786 231 HB THR 33 HB THR 33 1.815 -1.832 3.776 232 HG1 THR 33 HG1 THR 33 2.045 -0.800 5.791 233 HG21 THR 33 HG21 THR 33 2.606 -4.022 4.643 234 HG22 THR 33 HG22 THR 33 1.765 -3.063 5.875 235 HG23 THR 33 HG23 THR 33 3.536 -3.179 5.898 236 H LYS 34 H LYS 34 5.011 0.322 3.548 237 HA LYS 34 HA LYS 34 3.924 1.798 1.335 238 HB2 LYS 34 HB2 LYS 34 4.875 3.019 3.061 239 HB3 LYS 34 HB3 LYS 34 6.297 2.007 3.162 240 HG2 LYS 34 HG2 LYS 34 7.192 2.931 1.094 241 HG3 LYS 34 HG3 LYS 34 5.755 3.956 0.905 242 HD2 LYS 34 HD2 LYS 34 6.308 5.192 2.943 243 HD3 LYS 34 HD3 LYS 34 7.555 4.017 3.366 244 HE2 LYS 34 HE2 LYS 34 8.718 5.898 2.573 245 HE3 LYS 34 HE3 LYS 34 8.839 4.665 1.312 246 HZ1 LYS 34 HZ1 LYS 34 7.076 5.849 0.103 247 HZ2 LYS 34 HZ2 LYS 34 8.314 6.873 0.418 248 HZ3 LYS 34 HZ3 LYS 34 6.918 6.950 1.290 249 H LYS 35 H LYS 35 7.021 -0.054 1.522 250 HA LYS 35 HA LYS 35 7.693 0.353 -1.267 251 HB2 LYS 35 HB2 LYS 35 8.655 -1.444 0.956 252 HB3 LYS 35 HB3 LYS 35 9.007 -1.929 -0.697 253 HG2 LYS 35 HG2 LYS 35 10.862 -0.671 0.161 254 HG3 LYS 35 HG3 LYS 35 10.098 0.188 -1.179 255 HD2 LYS 35 HD2 LYS 35 9.021 1.756 0.424 256 HD3 LYS 35 HD3 LYS 35 9.739 0.848 1.769 257 HE2 LYS 35 HE2 LYS 35 11.067 2.804 1.386 258 HE3 LYS 35 HE3 LYS 35 12.003 1.383 0.927 259 HZ1 LYS 35 HZ1 LYS 35 12.179 3.180 -0.663 260 HZ2 LYS 35 HZ2 LYS 35 10.568 3.164 -0.966 261 HZ3 LYS 35 HZ3 LYS 35 11.518 1.884 -1.405 262 H ALA 36 H ALA 36 5.825 -2.239 0.352 263 HA ALA 36 HA ALA 36 5.354 -3.703 -2.070 264 HB1 ALA 36 HB1 ALA 36 3.576 -3.519 0.395 265 HB2 ALA 36 HB2 ALA 36 3.578 -4.806 -0.833 266 HB3 ALA 36 HB3 ALA 36 4.986 -4.590 0.213 267 H ARG 37 H ARG 37 3.505 -1.026 -0.602 268 HA ARG 37 HA ARG 37 1.438 -0.676 -2.478 269 HB2 ARG 37 HB2 ARG 37 2.604 0.762 -0.275 270 HB3 ARG 37 HB3 ARG 37 2.492 1.895 -1.580 271 HG2 ARG 37 HG2 ARG 37 0.195 0.183 -0.516 272 HG3 ARG 37 HG3 ARG 37 0.531 1.843 -0.032 273 HD2 ARG 37 HD2 ARG 37 -0.218 0.955 -2.842 274 HD3 ARG 37 HD3 ARG 37 -1.267 1.782 -1.682 275 HE ARG 37 HE ARG 37 1.305 3.016 -2.539 276 HH11 ARG 37 HH11 ARG 37 -2.256 3.268 -2.535 277 HH12 ARG 37 HH12 ARG 37 -2.220 4.953 -3.005 278 HH21 ARG 37 HH21 ARG 37 1.294 5.157 -3.141 279 HH22 ARG 37 HH22 ARG 37 -0.214 6.019 -3.351 280 H ASP 38 H ASP 38 4.673 0.893 -2.495 281 HA ASP 38 HA ASP 38 4.520 2.188 -4.988 282 HB2 ASP 38 HB2 ASP 38 6.883 1.032 -3.448 283 HB3 ASP 38 HB3 ASP 38 7.058 1.943 -4.942 284 H ALA 39 H ALA 39 5.569 -1.182 -4.275 285 HA ALA 39 HA ALA 39 6.359 -1.768 -6.973 286 HB1 ALA 39 HB1 ALA 39 7.195 -3.023 -5.049 287 HB2 ALA 39 HB2 ALA 39 5.561 -3.587 -4.670 288 HB3 ALA 39 HB3 ALA 39 6.360 -4.115 -6.167 289 H CYS 40 H CYS 40 3.189 -2.148 -5.298 290 HA CYS 40 HA CYS 40 1.883 -3.302 -7.652 291 HB2 CYS 40 HB2 CYS 40 1.137 -3.498 -5.276 292 HB3 CYS 40 HB3 CYS 40 0.587 -1.817 -5.349 293 H ILE 41 H ILE 41 2.289 0.082 -6.431 294 HA ILE 41 HA ILE 41 0.791 1.294 -8.558 295 HB ILE 41 HB ILE 41 2.706 2.236 -6.464 296 HG12 ILE 41 HG12 ILE 41 0.932 3.874 -6.035 297 HG13 ILE 41 HG13 ILE 41 0.074 3.387 -7.481 298 HG21 ILE 41 HG21 ILE 41 3.631 3.445 -8.409 299 HG22 ILE 41 HG22 ILE 41 1.990 4.002 -8.840 300 HG23 ILE 41 HG23 ILE 41 2.759 4.535 -7.336 301 HD11 ILE 41 HD11 ILE 41 -0.348 1.134 -6.416 302 HD12 ILE 41 HD12 ILE 41 0.438 1.752 -4.949 303 HD13 ILE 41 HD13 ILE 41 -1.051 2.505 -5.553 304 H ILE 42 H ILE 42 4.221 0.301 -8.408 305 HA ILE 42 HA ILE 42 4.812 1.159 -11.119 306 HB ILE 42 HB ILE 42 6.054 -0.874 -9.248 307 HG12 ILE 42 HG12 ILE 42 7.111 1.741 -10.420 308 HG13 ILE 42 HG13 ILE 42 6.256 1.650 -8.891 309 HG21 ILE 42 HG21 ILE 42 6.448 -1.711 -11.560 310 HG22 ILE 42 HG22 ILE 42 7.109 -0.130 -12.012 311 HG23 ILE 42 HG23 ILE 42 7.930 -1.149 -10.814 312 HD11 ILE 42 HD11 ILE 42 8.942 0.357 -9.501 313 HD12 ILE 42 HD12 ILE 42 8.613 1.735 -8.447 314 HD13 ILE 42 HD13 ILE 42 8.017 0.124 -7.996 315 H GLU 43 H GLU 43 3.566 -1.930 -9.839 316 HA GLU 43 HA GLU 43 3.505 -3.391 -12.272 317 HB2 GLU 43 HB2 GLU 43 3.476 -4.370 -10.043 318 HB3 GLU 43 HB3 GLU 43 1.951 -3.582 -9.685 319 HG2 GLU 43 HG2 GLU 43 1.593 -5.898 -9.989 320 HG3 GLU 43 HG3 GLU 43 0.766 -4.972 -11.216 321 H LYS 44 H LYS 44 0.826 -1.495 -10.746 322 HA LYS 44 HA LYS 44 -0.480 -1.357 -13.445 323 HB2 LYS 44 HB2 LYS 44 -2.080 -1.403 -10.873 324 HB3 LYS 44 HB3 LYS 44 -2.643 -1.482 -12.521 325 HG2 LYS 44 HG2 LYS 44 -2.833 -3.665 -12.207 326 HG3 LYS 44 HG3 LYS 44 -1.090 -3.791 -12.392 327 HD2 LYS 44 HD2 LYS 44 -0.805 -3.675 -9.938 328 HD3 LYS 44 HD3 LYS 44 -2.514 -3.266 -9.747 329 HE2 LYS 44 HE2 LYS 44 -3.118 -5.483 -10.761 330 HE3 LYS 44 HE3 LYS 44 -1.411 -5.949 -10.664 331 HZ1 LYS 44 HZ1 LYS 44 -2.832 -6.601 -8.686 332 HZ2 LYS 44 HZ2 LYS 44 -2.999 -5.016 -8.337 333 HZ3 LYS 44 HZ3 LYS 44 -1.504 -5.749 -8.292 334 H GLY 45 H GLY 45 -0.709 0.212 -10.215 335 HA2 GLY 45 HA2 GLY 45 0.023 2.807 -10.591 336 HA3 GLY 45 HA3 GLY 45 -1.511 2.735 -11.460 337 H GLU 46 H GLU 46 -2.051 4.395 -9.778 338 HA GLU 46 HA GLU 46 -2.774 3.558 -7.087 339 HB2 GLU 46 HB2 GLU 46 -3.630 5.803 -8.943 340 HB3 GLU 46 HB3 GLU 46 -4.318 5.631 -7.345 341 HG2 GLU 46 HG2 GLU 46 -1.302 5.813 -7.778 342 HG3 GLU 46 HG3 GLU 46 -2.323 7.246 -7.672 343 H GLU 47 H GLU 47 -4.018 2.722 -10.101 344 HA GLU 47 HA GLU 47 -6.667 1.811 -9.119 345 HB2 GLU 47 HB2 GLU 47 -7.159 1.429 -11.521 346 HB3 GLU 47 HB3 GLU 47 -6.862 3.115 -11.092 347 HG2 GLU 47 HG2 GLU 47 -4.517 2.904 -11.996 348 HG3 GLU 47 HG3 GLU 47 -4.885 1.244 -12.471 349 H HIS 48 H HIS 48 -7.261 -0.365 -9.359 350 HA HIS 48 HA HIS 48 -7.055 -2.584 -9.218 351 HB2 HIS 48 HB2 HIS 48 -4.731 -2.382 -11.133 352 HB3 HIS 48 HB3 HIS 48 -5.747 -3.783 -10.844 353 HD1 HIS 48 HD1 HIS 48 -5.396 -1.560 -13.520 354 HD2 HIS 48 HD2 HIS 48 -8.650 -2.679 -11.106 355 HE1 HIS 48 HE1 HIS 48 -7.495 -0.859 -14.780 356 H CYS 49 H CYS 49 -5.399 -0.892 -7.361 357 HA CYS 49 HA CYS 49 -3.772 -3.073 -6.132 358 HB2 CYS 49 HB2 CYS 49 -3.187 -0.116 -6.460 359 HB3 CYS 49 HB3 CYS 49 -2.350 -1.109 -5.264 360 H GLY 50 H GLY 50 -6.627 -2.406 -5.636 361 HA2 GLY 50 HA2 GLY 50 -7.089 -0.755 -3.431 362 HA3 GLY 50 HA3 GLY 50 -8.077 -2.130 -3.889 363 H HIS 51 H HIS 51 -6.178 -4.256 -3.278 364 HA HIS 51 HA HIS 51 -6.339 -4.430 -0.407 365 HB2 HIS 51 HB2 HIS 51 -5.079 -6.103 -2.580 366 HB3 HIS 51 HB3 HIS 51 -4.708 -6.428 -0.891 367 HD1 HIS 51 HD1 HIS 51 -6.825 -7.048 0.745 368 HD2 HIS 51 HD2 HIS 51 -7.402 -7.128 -3.431 369 HE1 HIS 51 HE1 HIS 51 -8.930 -8.442 0.333 370 H LEU 52 H LEU 52 -3.790 -3.099 -2.447 371 HA LEU 52 HA LEU 52 -1.831 -3.069 -0.230 372 HB2 LEU 52 HB2 LEU 52 -1.868 -2.067 -3.092 373 HB3 LEU 52 HB3 LEU 52 -0.755 -1.358 -1.950 374 HG LEU 52 HG LEU 52 0.343 -3.043 -3.225 375 HD11 LEU 52 HD11 LEU 52 1.419 -4.254 -1.499 376 HD12 LEU 52 HD12 LEU 52 0.036 -4.120 -0.408 377 HD13 LEU 52 HD13 LEU 52 0.968 -2.665 -0.836 378 HD21 LEU 52 HD21 LEU 52 -0.164 -5.405 -3.129 379 HD22 LEU 52 HD22 LEU 52 -1.589 -4.534 -3.713 380 HD23 LEU 52 HD23 LEU 52 -1.528 -5.128 -2.037 381 H ILE 53 H ILE 53 -4.152 -0.879 -1.765 382 HA ILE 53 HA ILE 53 -3.618 1.403 -0.067 383 HB ILE 53 HB ILE 53 -6.003 0.546 -1.704 384 HG12 ILE 53 HG12 ILE 53 -4.131 2.875 -2.263 385 HG13 ILE 53 HG13 ILE 53 -3.629 1.248 -2.707 386 HG21 ILE 53 HG21 ILE 53 -6.820 2.071 0.065 387 HG22 ILE 53 HG22 ILE 53 -5.571 3.256 -0.368 388 HG23 ILE 53 HG23 ILE 53 -6.864 2.847 -1.509 389 HD11 ILE 53 HD11 ILE 53 -4.659 2.278 -4.604 390 HD12 ILE 53 HD12 ILE 53 -5.678 0.945 -4.007 391 HD13 ILE 53 HD13 ILE 53 -6.133 2.637 -3.675 392 H GLU 54 H GLU 54 -5.747 -1.441 0.235 393 HA GLU 54 HA GLU 54 -6.922 -0.782 2.745 394 HB2 GLU 54 HB2 GLU 54 -7.767 -2.538 1.216 395 HB3 GLU 54 HB3 GLU 54 -6.441 -3.586 1.747 396 HG2 GLU 54 HG2 GLU 54 -7.239 -3.432 4.082 397 HG3 GLU 54 HG3 GLU 54 -8.494 -2.288 3.602 398 H ALA 55 H ALA 55 -4.025 -2.839 2.054 399 HA ALA 55 HA ALA 55 -3.267 -3.235 4.758 400 HB1 ALA 55 HB1 ALA 55 -2.385 -4.522 2.862 401 HB2 ALA 55 HB2 ALA 55 -1.545 -3.082 2.243 402 HB3 ALA 55 HB3 ALA 55 -1.059 -3.804 3.796 403 H HIS 56 H HIS 56 -2.434 -0.519 2.552 404 HA HIS 56 HA HIS 56 -0.693 0.800 4.422 405 HB2 HIS 56 HB2 HIS 56 -0.567 1.115 2.022 406 HB3 HIS 56 HB3 HIS 56 -2.194 1.781 1.973 407 HD1 HIS 56 HD1 HIS 56 -1.390 4.101 0.986 408 HD2 HIS 56 HD2 HIS 56 0.346 3.007 4.668 409 HE1 HIS 56 HE1 HIS 56 -0.222 6.188 1.887 410 H LYS 57 H LYS 57 -4.244 1.227 3.773 411 HA LYS 57 HA LYS 57 -4.440 3.394 5.695 412 HB2 LYS 57 HB2 LYS 57 -6.811 3.278 5.481 413 HB3 LYS 57 HB3 LYS 57 -6.080 3.072 3.886 414 HG2 LYS 57 HG2 LYS 57 -6.430 0.662 4.042 415 HG3 LYS 57 HG3 LYS 57 -7.190 0.821 5.618 416 HD2 LYS 57 HD2 LYS 57 -8.920 0.527 3.998 417 HD3 LYS 57 HD3 LYS 57 -8.981 2.196 4.578 418 HE2 LYS 57 HE2 LYS 57 -7.692 2.899 2.535 419 HE3 LYS 57 HE3 LYS 57 -7.747 1.229 1.944 420 HZ1 LYS 57 HZ1 LYS 57 -9.526 2.775 1.089 421 HZ2 LYS 57 HZ2 LYS 57 -10.179 2.805 2.580 422 HZ3 LYS 57 HZ3 LYS 57 -10.112 1.383 1.754 423 H GLU 58 H GLU 58 -4.837 -0.114 5.986 424 HA GLU 58 HA GLU 58 -5.501 -0.138 8.795 425 HB2 GLU 58 HB2 GLU 58 -4.128 -2.143 6.980 426 HB3 GLU 58 HB3 GLU 58 -4.526 -2.477 8.674 427 HG2 GLU 58 HG2 GLU 58 -6.887 -2.120 8.276 428 HG3 GLU 58 HG3 GLU 58 -6.614 -1.659 6.605 429 H SER 59 H SER 59 -2.330 -0.202 7.115 430 HA SER 59 HA SER 59 -0.638 -0.320 9.387 431 HB2 SER 59 HB2 SER 59 -0.131 1.264 6.834 432 HB3 SER 59 HB3 SER 59 1.066 0.786 8.034 433 HG SER 59 HG SER 59 -0.494 -1.028 6.497 434 H MET 60 H MET 60 -2.114 2.610 7.821 435 HA MET 60 HA MET 60 -1.169 4.286 10.040 436 HB2 MET 60 HB2 MET 60 -3.068 4.961 7.788 437 HB3 MET 60 HB3 MET 60 -2.439 6.080 9.000 438 HG2 MET 60 HG2 MET 60 -1.034 4.836 6.680 439 HG3 MET 60 HG3 MET 60 -1.120 6.521 7.233 440 HE1 MET 60 HE1 MET 60 2.723 5.771 7.155 441 HE2 MET 60 HE2 MET 60 1.492 5.109 6.063 442 HE3 MET 60 HE3 MET 60 1.403 6.810 6.567 443 H ARG 61 H ARG 61 -4.150 2.461 9.567 444 HA ARG 61 HA ARG 61 -5.670 3.744 11.635 445 HB2 ARG 61 HB2 ARG 61 -6.495 1.941 9.994 446 HB3 ARG 61 HB3 ARG 61 -5.690 0.767 11.034 447 HG2 ARG 61 HG2 ARG 61 -7.146 2.103 12.921 448 HG3 ARG 61 HG3 ARG 61 -8.167 2.399 11.526 449 HD2 ARG 61 HD2 ARG 61 -7.200 -0.345 12.453 450 HD3 ARG 61 HD3 ARG 61 -8.742 0.378 12.922 451 HE ARG 61 HE ARG 61 -9.206 0.488 10.404 452 HH11 ARG 61 HH11 ARG 61 -7.359 -2.179 11.898 453 HH12 ARG 61 HH12 ARG 61 -7.912 -3.348 10.720 454 HH21 ARG 61 HH21 ARG 61 -9.889 -1.053 8.916 455 HH22 ARG 61 HH22 ARG 61 -9.341 -2.711 9.033 456 H ALA 62 H ALA 62 -3.101 1.239 11.735 457 HA ALA 62 HA ALA 62 -3.111 0.902 14.585 458 HB1 ALA 62 HB1 ALA 62 -1.983 -0.629 13.010 459 HB2 ALA 62 HB2 ALA 62 -0.786 0.632 12.648 460 HB3 ALA 62 HB3 ALA 62 -0.895 -0.047 14.279 461 H LEU 63 H LEU 63 -2.180 3.740 12.753 462 HA LEU 63 HA LEU 63 -0.897 4.884 15.196 463 HB2 LEU 63 HB2 LEU 63 -0.895 5.870 12.325 464 HB3 LEU 63 HB3 LEU 63 -0.296 6.764 13.705 465 HG LEU 63 HG LEU 63 1.574 5.941 12.614 466 HD11 LEU 63 HD11 LEU 63 1.613 5.795 15.093 467 HD12 LEU 63 HD12 LEU 63 2.723 4.673 14.290 468 HD13 LEU 63 HD13 LEU 63 1.205 4.061 14.970 469 HD21 LEU 63 HD21 LEU 63 0.585 4.114 11.329 470 HD22 LEU 63 HD22 LEU 63 0.495 3.115 12.794 471 HD23 LEU 63 HD23 LEU 63 2.070 3.613 12.151 472 H GLY 64 H GLY 64 -3.926 4.539 13.993 473 HA2 GLY 64 HA2 GLY 64 -5.924 5.391 14.645 474 HA3 GLY 64 HA3 GLY 64 -5.075 6.482 15.739 475 H PHE 65 H PHE 65 -3.740 7.393 12.896 476 HA PHE 65 HA PHE 65 -5.588 9.681 12.772 477 HB2 PHE 65 HB2 PHE 65 -3.679 10.853 11.710 478 HB3 PHE 65 HB3 PHE 65 -3.462 10.262 13.331 479 HD1 PHE 65 HD2 PHE 65 -2.823 8.517 9.954 480 HD2 PHE 65 HD1 PHE 65 -1.256 9.974 13.727 481 HE1 PHE 65 HE2 PHE 65 -0.605 7.663 9.387 482 HE2 PHE 65 HE1 PHE 65 0.994 9.150 13.091 483 HZ PHE 65 HZ PHE 65 1.322 7.995 10.923 484 H LYS 66 H LYS 66 -6.109 7.136 11.226 485 HA LYS 66 HA LYS 66 -6.324 8.347 8.485 486 HB2 LYS 66 HB2 LYS 66 -4.584 6.705 8.596 487 HB3 LYS 66 HB3 LYS 66 -5.629 5.498 9.307 488 HG2 LYS 66 HG2 LYS 66 -5.352 4.964 7.001 489 HG3 LYS 66 HG3 LYS 66 -6.987 5.588 7.146 490 HD2 LYS 66 HD2 LYS 66 -6.189 7.800 6.245 491 HD3 LYS 66 HD3 LYS 66 -4.576 7.068 6.007 492 HE2 LYS 66 HE2 LYS 66 -5.567 5.318 4.583 493 HE3 LYS 66 HE3 LYS 66 -7.181 5.961 4.922 494 HZ1 LYS 66 HZ1 LYS 66 -6.615 7.953 3.715 495 HZ2 LYS 66 HZ2 LYS 66 -6.413 6.663 2.763 496 HZ3 LYS 66 HZ3 LYS 66 -5.075 7.405 3.415 497 H ILE 67 H ILE 67 -7.868 5.646 10.307 498 HA ILE 67 HA ILE 67 -10.292 6.066 8.615 499 HB ILE 67 HB ILE 67 -9.848 3.580 10.244 500 HG12 ILE 67 HG12 ILE 67 -8.569 4.181 7.545 501 HG13 ILE 67 HG13 ILE 67 -7.763 3.724 9.038 502 HG21 ILE 67 HG21 ILE 67 -12.052 4.119 9.159 503 HG22 ILE 67 HG22 ILE 67 -11.240 4.128 7.581 504 HG23 ILE 67 HG23 ILE 67 -11.337 2.639 8.546 505 HD11 ILE 67 HD11 ILE 67 -9.476 1.942 7.280 506 HD12 ILE 67 HD12 ILE 67 -7.756 1.791 7.673 507 HD13 ILE 67 HD13 ILE 67 -8.971 1.494 8.927 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 3.214 12.925 17.698 2 H2 GLY 1 H2 GLY 1 4.230 11.782 18.316 3 H3 GLY 1 H3 GLY 1 4.702 12.694 17.032 4 HA2 GLY 1 HA2 GLY 1 5.767 13.435 19.066 5 HA3 GLY 1 HA3 GLY 1 4.727 14.680 18.347 6 H SER 2 H SER 2 3.145 15.551 19.640 7 HA SER 2 HA SER 2 3.281 15.002 22.382 8 HB2 SER 2 HB2 SER 2 1.181 16.671 20.978 9 HB3 SER 2 HB3 SER 2 1.703 16.811 22.668 10 HG SER 2 HG SER 2 3.771 17.424 21.941 11 H PHE 3 H PHE 3 1.466 13.003 20.403 12 HA PHE 3 HA PHE 3 -0.179 12.208 22.764 13 HB2 PHE 3 HB2 PHE 3 -1.626 13.231 21.039 14 HB3 PHE 3 HB3 PHE 3 -1.064 12.035 19.872 15 HD1 PHE 3 HD2 PHE 3 -2.934 12.512 23.066 16 HD2 PHE 3 HD1 PHE 3 -1.928 9.752 19.905 17 HE1 PHE 3 HE2 PHE 3 -4.609 10.898 23.936 18 HE2 PHE 3 HE1 PHE 3 -3.591 8.137 20.793 19 HZ PHE 3 HZ PHE 3 -4.938 8.716 22.804 20 H THR 4 H THR 4 -0.142 10.164 23.353 21 HA THR 4 HA THR 4 0.803 8.014 21.607 22 HB THR 4 HB THR 4 2.130 7.088 23.669 23 HG1 THR 4 HG1 THR 4 3.311 8.818 24.638 24 HG21 THR 4 HG21 THR 4 4.146 7.819 22.707 25 HG22 THR 4 HG22 THR 4 3.423 9.328 22.084 26 HG23 THR 4 HG23 THR 4 3.009 7.753 21.372 27 H MET 5 H MET 5 0.338 5.883 22.466 28 HA MET 5 HA MET 5 -2.410 6.021 22.439 29 HB2 MET 5 HB2 MET 5 -0.548 3.662 22.808 30 HB3 MET 5 HB3 MET 5 -2.291 3.483 22.545 31 HG2 MET 5 HG2 MET 5 -2.160 4.663 20.438 32 HG3 MET 5 HG3 MET 5 -0.439 4.982 20.650 33 HE1 MET 5 HE1 MET 5 -0.992 2.430 17.621 34 HE2 MET 5 HE2 MET 5 -2.136 3.655 18.199 35 HE3 MET 5 HE3 MET 5 -0.410 4.058 18.047 36 HA PRO 6 HA PRO 6 -3.944 5.641 26.634 37 HB2 PRO 6 HB2 PRO 6 -6.155 4.038 25.368 38 HB3 PRO 6 HB3 PRO 6 -6.262 5.398 26.530 39 HG2 PRO 6 HG2 PRO 6 -6.764 5.813 23.902 40 HG3 PRO 6 HG3 PRO 6 -5.760 6.993 24.812 41 HD2 PRO 6 HD2 PRO 6 -4.829 4.712 23.034 42 HD3 PRO 6 HD3 PRO 6 -4.325 6.432 23.023 43 H GLY 7 H GLY 7 -3.484 4.220 28.223 44 HA2 GLY 7 HA2 GLY 7 -3.267 2.199 29.383 45 HA3 GLY 7 HA3 GLY 7 -3.673 1.290 27.925 46 H LEU 8 H LEU 8 -1.378 3.122 26.625 47 HA LEU 8 HA LEU 8 0.827 1.245 27.222 48 HB2 LEU 8 HB2 LEU 8 0.448 3.438 25.177 49 HB3 LEU 8 HB3 LEU 8 2.010 2.717 25.483 50 HG LEU 8 HG LEU 8 0.903 1.759 23.550 51 HD11 LEU 8 HD11 LEU 8 1.201 -0.336 25.734 52 HD12 LEU 8 HD12 LEU 8 2.546 0.421 24.848 53 HD13 LEU 8 HD13 LEU 8 1.358 -0.566 23.984 54 HD21 LEU 8 HD21 LEU 8 -0.986 0.292 23.646 55 HD22 LEU 8 HD22 LEU 8 -1.466 1.837 24.356 56 HD23 LEU 8 HD23 LEU 8 -1.111 0.441 25.399 57 H VAL 9 H VAL 9 0.754 1.885 29.457 58 HA VAL 9 HA VAL 9 2.258 4.406 30.097 59 HB VAL 9 HB VAL 9 0.295 2.899 31.861 60 HG11 VAL 9 HG11 VAL 9 2.013 4.101 33.163 61 HG12 VAL 9 HG12 VAL 9 1.725 5.580 32.221 62 HG13 VAL 9 HG13 VAL 9 0.462 4.926 33.290 63 HG21 VAL 9 HG21 VAL 9 -0.002 5.531 30.346 64 HG22 VAL 9 HG22 VAL 9 -0.909 4.030 30.041 65 HG23 VAL 9 HG23 VAL 9 -1.143 4.901 31.551 66 H ASP 10 H ASP 10 4.270 3.457 29.738 67 HA ASP 10 HA ASP 10 5.078 1.089 31.254 68 HB2 ASP 10 HB2 ASP 10 5.786 1.357 28.943 69 HB3 ASP 10 HB3 ASP 10 6.590 2.879 29.328 70 H SER 11 H SER 11 4.356 2.513 33.209 71 HA SER 11 HA SER 11 6.359 4.462 34.114 72 HB2 SER 11 HB2 SER 11 4.684 5.137 35.693 73 HB3 SER 11 HB3 SER 11 4.014 5.034 34.073 74 HG SER 11 HG SER 11 2.717 4.157 35.764 75 H ASN 12 H ASN 12 5.961 1.165 34.657 76 HA ASN 12 HA ASN 12 7.308 1.241 37.326 77 HB2 ASN 12 HB2 ASN 12 5.007 0.309 37.306 78 HB3 ASN 12 HB3 ASN 12 5.495 -0.863 36.086 79 HD21 ASN 12 HD21 ASN 12 4.946 -2.641 37.388 80 HD22 ASN 12 HD22 ASN 12 5.875 -3.053 38.834 81 HA PRO 13 HA PRO 13 10.710 -0.811 35.068 82 HB2 PRO 13 HB2 PRO 13 12.231 -1.649 37.217 83 HB3 PRO 13 HB3 PRO 13 12.217 0.021 36.575 84 HG2 PRO 13 HG2 PRO 13 10.594 -1.090 38.889 85 HG3 PRO 13 HG3 PRO 13 11.597 0.401 38.850 86 HD2 PRO 13 HD2 PRO 13 8.947 0.534 38.488 87 HD3 PRO 13 HD3 PRO 13 10.028 1.501 37.448 88 H ALA 14 H ALA 14 11.506 -2.913 34.709 89 HA ALA 14 HA ALA 14 11.041 -5.039 34.057 90 HB1 ALA 14 HB1 ALA 14 12.542 -5.175 35.964 91 HB2 ALA 14 HB2 ALA 14 11.167 -5.317 37.077 92 HB3 ALA 14 HB3 ALA 14 11.494 -6.603 35.892 93 HA PRO 15 HA PRO 15 6.465 -4.857 35.101 94 HB2 PRO 15 HB2 PRO 15 5.365 -4.611 32.579 95 HB3 PRO 15 HB3 PRO 15 5.910 -3.246 33.602 96 HG2 PRO 15 HG2 PRO 15 7.441 -4.650 31.391 97 HG3 PRO 15 HG3 PRO 15 7.243 -2.887 31.663 98 HD2 PRO 15 HD2 PRO 15 9.471 -4.195 32.466 99 HD3 PRO 15 HD3 PRO 15 8.755 -2.884 33.450 100 HA PRO 16 HA PRO 16 6.289 -9.163 34.636 101 HB2 PRO 16 HB2 PRO 16 3.808 -9.801 35.567 102 HB3 PRO 16 HB3 PRO 16 5.083 -9.072 36.593 103 HG2 PRO 16 HG2 PRO 16 2.813 -7.654 35.151 104 HG3 PRO 16 HG3 PRO 16 3.286 -7.505 36.876 105 HD2 PRO 16 HD2 PRO 16 4.139 -5.720 35.013 106 HD3 PRO 16 HD3 PRO 16 5.220 -6.265 36.333 107 H GLU 17 H GLU 17 5.569 -11.003 33.518 108 HA GLU 17 HA GLU 17 3.513 -10.687 31.393 109 HB2 GLU 17 HB2 GLU 17 4.926 -11.077 29.651 110 HB3 GLU 17 HB3 GLU 17 5.976 -10.106 30.672 111 HG2 GLU 17 HG2 GLU 17 6.860 -12.330 31.605 112 HG3 GLU 17 HG3 GLU 17 5.998 -13.121 30.274 113 H SER 18 H SER 18 3.395 -12.840 30.097 114 HA SER 18 HA SER 18 2.991 -15.085 32.012 115 HB2 SER 18 HB2 SER 18 1.178 -15.720 30.635 116 HB3 SER 18 HB3 SER 18 1.060 -13.972 30.906 117 HG SER 18 HG SER 18 1.980 -13.657 28.819 118 H GLN 19 H GLN 19 2.876 -17.303 30.838 119 HA GLN 19 HA GLN 19 5.393 -17.744 29.330 120 HB2 GLN 19 HB2 GLN 19 3.447 -19.699 30.610 121 HB3 GLN 19 HB3 GLN 19 4.955 -20.135 29.814 122 HG2 GLN 19 HG2 GLN 19 4.783 -18.386 32.307 123 HG3 GLN 19 HG3 GLN 19 5.123 -20.112 32.290 124 HE21 GLN 19 HE21 GLN 19 6.557 -16.926 31.844 125 HE22 GLN 19 HE22 GLN 19 8.136 -17.532 31.382 126 H GLU 20 H GLU 20 3.378 -16.350 27.896 127 HA GLU 20 HA GLU 20 2.625 -18.306 25.776 128 HB2 GLU 20 HB2 GLU 20 0.773 -16.156 26.841 129 HB3 GLU 20 HB3 GLU 20 0.448 -17.329 25.566 130 HG2 GLU 20 HG2 GLU 20 0.778 -19.151 27.298 131 HG3 GLU 20 HG3 GLU 20 0.755 -17.889 28.533 132 H LYS 21 H LYS 21 2.197 -17.426 23.714 133 HA LYS 21 HA LYS 21 3.983 -15.265 22.939 134 HB2 LYS 21 HB2 LYS 21 3.719 -17.245 21.564 135 HB3 LYS 21 HB3 LYS 21 1.976 -16.979 21.410 136 HG2 LYS 21 HG2 LYS 21 2.308 -14.983 20.089 137 HG3 LYS 21 HG3 LYS 21 4.044 -14.982 20.417 138 HD2 LYS 21 HD2 LYS 21 4.264 -17.140 19.157 139 HD3 LYS 21 HD3 LYS 21 2.517 -17.126 18.892 140 HE2 LYS 21 HE2 LYS 21 3.466 -16.272 16.887 141 HE3 LYS 21 HE3 LYS 21 2.784 -14.881 17.741 142 HZ1 LYS 21 HZ1 LYS 21 5.654 -15.644 17.566 143 HZ2 LYS 21 HZ2 LYS 21 5.113 -14.473 18.595 144 HZ3 LYS 21 HZ3 LYS 21 4.943 -14.299 16.978 145 H LYS 22 H LYS 22 3.570 -13.221 22.424 146 HA LYS 22 HA LYS 22 0.775 -12.158 22.602 147 HB2 LYS 22 HB2 LYS 22 3.476 -10.768 22.824 148 HB3 LYS 22 HB3 LYS 22 1.928 -9.938 22.869 149 HG2 LYS 22 HG2 LYS 22 2.872 -12.020 24.902 150 HG3 LYS 22 HG3 LYS 22 2.912 -10.284 25.104 151 HD2 LYS 22 HD2 LYS 22 0.886 -10.375 26.028 152 HD3 LYS 22 HD3 LYS 22 0.214 -10.777 24.448 153 HE2 LYS 22 HE2 LYS 22 0.570 -13.211 24.950 154 HE3 LYS 22 HE3 LYS 22 1.240 -12.765 26.526 155 HZ1 LYS 22 HZ1 LYS 22 -0.940 -11.695 27.013 156 HZ2 LYS 22 HZ2 LYS 22 -1.037 -13.310 26.835 157 HZ3 LYS 22 HZ3 LYS 22 -1.547 -12.352 25.607 158 HA PRO 23 HA PRO 23 0.745 -11.588 18.257 159 HB2 PRO 23 HB2 PRO 23 -0.898 -9.436 17.858 160 HB3 PRO 23 HB3 PRO 23 -1.481 -11.019 18.459 161 HG2 PRO 23 HG2 PRO 23 -0.763 -8.559 20.091 162 HG3 PRO 23 HG3 PRO 23 -2.237 -9.574 20.207 163 HD2 PRO 23 HD2 PRO 23 -0.126 -9.920 21.881 164 HD3 PRO 23 HD3 PRO 23 -1.070 -11.316 21.283 165 H LEU 24 H LEU 24 2.187 -10.790 16.817 166 HA LEU 24 HA LEU 24 3.886 -8.523 17.510 167 HB2 LEU 24 HB2 LEU 24 4.767 -10.473 16.328 168 HB3 LEU 24 HB3 LEU 24 3.652 -10.205 14.987 169 HG LEU 24 HG LEU 24 4.786 -8.058 14.460 170 HD11 LEU 24 HD11 LEU 24 5.659 -7.400 16.661 171 HD12 LEU 24 HD12 LEU 24 6.983 -7.551 15.508 172 HD13 LEU 24 HD13 LEU 24 6.705 -8.840 16.699 173 HD21 LEU 24 HD21 LEU 24 6.696 -10.420 14.696 174 HD22 LEU 24 HD22 LEU 24 6.865 -9.031 13.598 175 HD23 LEU 24 HD23 LEU 24 5.519 -10.159 13.390 176 H LYS 25 H LYS 25 3.192 -6.502 17.375 177 HA LYS 25 HA LYS 25 1.484 -5.599 15.089 178 HB2 LYS 25 HB2 LYS 25 1.394 -4.731 18.013 179 HB3 LYS 25 HB3 LYS 25 0.478 -3.986 16.701 180 HG2 LYS 25 HG2 LYS 25 -0.749 -6.053 16.292 181 HG3 LYS 25 HG3 LYS 25 0.200 -6.909 17.505 182 HD2 LYS 25 HD2 LYS 25 -1.954 -6.379 18.416 183 HD3 LYS 25 HD3 LYS 25 -0.708 -5.479 19.289 184 HE2 LYS 25 HE2 LYS 25 -1.282 -3.421 18.084 185 HE3 LYS 25 HE3 LYS 25 -2.406 -4.302 17.041 186 HZ1 LYS 25 HZ1 LYS 25 -3.541 -3.146 18.880 187 HZ2 LYS 25 HZ2 LYS 25 -2.727 -4.043 19.988 188 HZ3 LYS 25 HZ3 LYS 25 -3.773 -4.780 18.967 189 HA PRO 26 HA PRO 26 4.663 -2.524 14.440 190 HB2 PRO 26 HB2 PRO 26 3.358 -0.548 13.118 191 HB3 PRO 26 HB3 PRO 26 3.622 -2.162 12.396 192 HG2 PRO 26 HG2 PRO 26 1.137 -1.165 13.840 193 HG3 PRO 26 HG3 PRO 26 1.235 -1.947 12.231 194 HD2 PRO 26 HD2 PRO 26 0.657 -3.378 14.471 195 HD3 PRO 26 HD3 PRO 26 1.689 -4.066 13.184 196 H CYS 27 H CYS 27 5.533 -0.675 15.399 197 HA CYS 27 HA CYS 27 3.912 0.560 17.613 198 HB2 CYS 27 HB2 CYS 27 6.663 -0.708 17.606 199 HB3 CYS 27 HB3 CYS 27 6.143 0.430 18.859 200 HG CYS 27 HG CYS 27 5.896 -2.001 19.753 201 H CYS 28 H CYS 28 6.234 1.243 15.089 202 HA CYS 28 HA CYS 28 6.164 4.154 15.812 203 HB2 CYS 28 HB2 CYS 28 8.334 3.164 16.362 204 HB3 CYS 28 HB3 CYS 28 8.487 2.490 14.735 205 HG CYS 28 HG CYS 28 10.091 4.538 15.088 206 H ALA 29 H ALA 29 6.619 1.757 13.124 207 HA ALA 29 HA ALA 29 5.264 3.547 11.216 208 HB1 ALA 29 HB1 ALA 29 8.150 2.585 10.952 209 HB2 ALA 29 HB2 ALA 29 7.242 3.535 9.760 210 HB3 ALA 29 HB3 ALA 29 7.659 4.253 11.309 211 H SER 30 H SER 30 5.270 2.343 8.991 212 HA SER 30 HA SER 30 5.781 -0.535 9.196 213 HB2 SER 30 HB2 SER 30 3.705 -1.274 8.172 214 HB3 SER 30 HB3 SER 30 3.465 -0.558 9.767 215 HG SER 30 HG SER 30 2.987 1.456 8.456 216 HA PRO 31 HA PRO 31 7.462 1.904 5.564 217 HB2 PRO 31 HB2 PRO 31 9.909 0.479 5.576 218 HB3 PRO 31 HB3 PRO 31 9.585 2.065 6.321 219 HG2 PRO 31 HG2 PRO 31 9.474 -0.672 7.618 220 HG3 PRO 31 HG3 PRO 31 10.211 0.837 8.255 221 HD2 PRO 31 HD2 PRO 31 7.808 0.124 9.151 222 HD3 PRO 31 HD3 PRO 31 8.050 1.795 8.633 223 H GLU 32 H GLU 32 7.617 -1.601 6.160 224 HA GLU 32 HA GLU 32 7.941 -2.589 3.556 225 HB2 GLU 32 HB2 GLU 32 6.949 -4.632 4.460 226 HB3 GLU 32 HB3 GLU 32 8.083 -3.896 5.598 227 HG2 GLU 32 HG2 GLU 32 6.091 -2.874 6.815 228 HG3 GLU 32 HG3 GLU 32 5.043 -3.830 5.760 229 H THR 33 H THR 33 5.040 -1.000 4.801 230 HA THR 33 HA THR 33 3.302 -2.288 2.763 231 HB THR 33 HB THR 33 1.530 -0.808 3.520 232 HG1 THR 33 HG1 THR 33 3.243 -0.003 5.631 233 HG21 THR 33 HG21 THR 33 1.076 -1.813 5.682 234 HG22 THR 33 HG22 THR 33 2.767 -2.359 5.822 235 HG23 THR 33 HG23 THR 33 1.694 -3.009 4.551 236 H LYS 34 H LYS 34 4.728 0.950 3.475 237 HA LYS 34 HA LYS 34 3.782 2.073 0.994 238 HB2 LYS 34 HB2 LYS 34 5.233 3.914 1.419 239 HB3 LYS 34 HB3 LYS 34 4.311 3.507 2.858 240 HG2 LYS 34 HG2 LYS 34 6.247 2.539 3.905 241 HG3 LYS 34 HG3 LYS 34 7.203 2.679 2.410 242 HD2 LYS 34 HD2 LYS 34 6.931 5.182 2.555 243 HD3 LYS 34 HD3 LYS 34 6.181 4.959 4.154 244 HE2 LYS 34 HE2 LYS 34 8.233 3.864 4.981 245 HE3 LYS 34 HE3 LYS 34 8.930 3.904 3.357 246 HZ1 LYS 34 HZ1 LYS 34 9.854 5.679 4.539 247 HZ2 LYS 34 HZ2 LYS 34 8.405 6.256 5.086 248 HZ3 LYS 34 HZ3 LYS 34 8.820 6.371 3.494 249 H LYS 35 H LYS 35 6.748 0.274 1.747 250 HA LYS 35 HA LYS 35 7.934 0.473 -0.895 251 HB2 LYS 35 HB2 LYS 35 8.180 -1.494 1.395 252 HB3 LYS 35 HB3 LYS 35 8.731 -1.969 -0.203 253 HG2 LYS 35 HG2 LYS 35 10.633 -1.155 0.886 254 HG3 LYS 35 HG3 LYS 35 10.190 0.054 -0.316 255 HD2 LYS 35 HD2 LYS 35 9.130 1.416 1.511 256 HD3 LYS 35 HD3 LYS 35 9.659 0.204 2.686 257 HE2 LYS 35 HE2 LYS 35 11.533 1.796 0.884 258 HE3 LYS 35 HE3 LYS 35 11.090 2.255 2.525 259 HZ1 LYS 35 HZ1 LYS 35 11.936 -0.275 2.917 260 HZ2 LYS 35 HZ2 LYS 35 12.858 1.054 3.094 261 HZ3 LYS 35 HZ3 LYS 35 12.960 0.207 1.716 262 H ALA 36 H ALA 36 5.828 -2.186 0.427 263 HA ALA 36 HA ALA 36 5.491 -3.430 -2.087 264 HB1 ALA 36 HB1 ALA 36 3.618 -3.398 0.319 265 HB2 ALA 36 HB2 ALA 36 3.603 -4.586 -1.005 266 HB3 ALA 36 HB3 ALA 36 5.008 -4.485 0.069 267 H ARG 37 H ARG 37 3.639 -0.738 -0.711 268 HA ARG 37 HA ARG 37 1.530 -0.677 -2.613 269 HB2 ARG 37 HB2 ARG 37 1.623 0.493 -0.322 270 HB3 ARG 37 HB3 ARG 37 2.581 1.745 -1.114 271 HG2 ARG 37 HG2 ARG 37 0.462 1.647 -2.833 272 HG3 ARG 37 HG3 ARG 37 -0.324 0.989 -1.404 273 HD2 ARG 37 HD2 ARG 37 -0.744 3.275 -1.210 274 HD3 ARG 37 HD3 ARG 37 0.661 3.062 -0.161 275 HE ARG 37 HE ARG 37 2.015 4.195 -1.704 276 HH11 ARG 37 HH11 ARG 37 -1.273 3.817 -3.053 277 HH12 ARG 37 HH12 ARG 37 -0.954 4.897 -4.393 278 HH21 ARG 37 HH21 ARG 37 2.371 5.580 -3.469 279 HH22 ARG 37 HH22 ARG 37 1.094 5.890 -4.624 280 H ASP 38 H ASP 38 4.541 1.354 -2.471 281 HA ASP 38 HA ASP 38 3.984 2.672 -4.966 282 HB2 ASP 38 HB2 ASP 38 6.422 2.369 -3.203 283 HB3 ASP 38 HB3 ASP 38 6.552 3.090 -4.799 284 H ALA 39 H ALA 39 5.724 -0.350 -4.157 285 HA ALA 39 HA ALA 39 6.629 -0.959 -6.802 286 HB1 ALA 39 HB1 ALA 39 6.788 -3.259 -5.910 287 HB2 ALA 39 HB2 ALA 39 7.469 -2.072 -4.779 288 HB3 ALA 39 HB3 ALA 39 5.867 -2.781 -4.477 289 H CYS 40 H CYS 40 3.492 -1.793 -5.161 290 HA CYS 40 HA CYS 40 2.405 -3.160 -7.438 291 HB2 CYS 40 HB2 CYS 40 1.621 -3.279 -5.045 292 HB3 CYS 40 HB3 CYS 40 0.858 -1.708 -5.258 293 H ILE 41 H ILE 41 2.210 0.290 -6.419 294 HA ILE 41 HA ILE 41 0.626 1.120 -8.661 295 HB ILE 41 HB ILE 41 2.293 2.539 -6.611 296 HG12 ILE 41 HG12 ILE 41 0.189 3.710 -6.161 297 HG13 ILE 41 HG13 ILE 41 -0.553 3.010 -7.591 298 HG21 ILE 41 HG21 ILE 41 1.091 3.904 -9.061 299 HG22 ILE 41 HG22 ILE 41 1.723 4.730 -7.624 300 HG23 ILE 41 HG23 ILE 41 2.825 3.822 -8.657 301 HD11 ILE 41 HD11 ILE 41 -0.589 0.791 -6.518 302 HD12 ILE 41 HD12 ILE 41 0.181 1.494 -5.073 303 HD13 ILE 41 HD13 ILE 41 -1.431 2.014 -5.559 304 H ILE 42 H ILE 42 4.180 0.650 -8.393 305 HA ILE 42 HA ILE 42 4.657 1.484 -11.151 306 HB ILE 42 HB ILE 42 6.201 -0.171 -9.158 307 HG12 ILE 42 HG12 ILE 42 6.809 2.400 -10.693 308 HG13 ILE 42 HG13 ILE 42 6.152 2.331 -9.058 309 HG21 ILE 42 HG21 ILE 42 8.053 -0.471 -10.748 310 HG22 ILE 42 HG22 ILE 42 6.649 -1.308 -11.337 311 HG23 ILE 42 HG23 ILE 42 7.092 0.270 -12.039 312 HD11 ILE 42 HD11 ILE 42 8.903 1.344 -9.924 313 HD12 ILE 42 HD12 ILE 42 8.536 2.748 -8.946 314 HD13 ILE 42 HD13 ILE 42 8.202 1.124 -8.302 315 H GLU 43 H GLU 43 3.913 -1.746 -9.774 316 HA GLU 43 HA GLU 43 4.200 -3.072 -12.331 317 HB2 GLU 43 HB2 GLU 43 3.149 -3.927 -9.605 318 HB3 GLU 43 HB3 GLU 43 3.100 -4.987 -11.006 319 HG2 GLU 43 HG2 GLU 43 5.623 -4.580 -11.262 320 HG3 GLU 43 HG3 GLU 43 5.571 -3.881 -9.640 321 H LYS 44 H LYS 44 1.400 -1.712 -10.729 322 HA LYS 44 HA LYS 44 -0.374 -2.607 -12.970 323 HB2 LYS 44 HB2 LYS 44 -1.454 -2.660 -10.181 324 HB3 LYS 44 HB3 LYS 44 -1.930 -3.577 -11.608 325 HG2 LYS 44 HG2 LYS 44 0.076 -5.047 -11.290 326 HG3 LYS 44 HG3 LYS 44 0.463 -4.132 -9.812 327 HD2 LYS 44 HD2 LYS 44 -1.854 -4.702 -8.952 328 HD3 LYS 44 HD3 LYS 44 -2.038 -5.776 -10.350 329 HE2 LYS 44 HE2 LYS 44 -0.055 -7.083 -9.589 330 HE3 LYS 44 HE3 LYS 44 0.131 -5.990 -8.211 331 HZ1 LYS 44 HZ1 LYS 44 -2.225 -7.723 -8.722 332 HZ2 LYS 44 HZ2 LYS 44 -2.108 -6.695 -7.456 333 HZ3 LYS 44 HZ3 LYS 44 -1.093 -7.981 -7.565 334 H GLY 45 H GLY 45 0.073 -0.317 -10.302 335 HA2 GLY 45 HA2 GLY 45 -0.492 2.026 -10.413 336 HA3 GLY 45 HA3 GLY 45 -1.694 1.695 -11.645 337 H GLU 46 H GLU 46 -2.268 3.280 -9.408 338 HA GLU 46 HA GLU 46 -3.283 2.102 -7.110 339 HB2 GLU 46 HB2 GLU 46 -4.385 4.513 -8.626 340 HB3 GLU 46 HB3 GLU 46 -4.923 4.046 -7.019 341 HG2 GLU 46 HG2 GLU 46 -2.749 4.463 -6.063 342 HG3 GLU 46 HG3 GLU 46 -2.062 4.752 -7.664 343 H GLU 47 H GLU 47 -4.965 2.623 -10.161 344 HA GLU 47 HA GLU 47 -7.572 1.722 -9.526 345 HB2 GLU 47 HB2 GLU 47 -7.869 1.673 -11.958 346 HB3 GLU 47 HB3 GLU 47 -7.012 3.110 -11.414 347 HG2 GLU 47 HG2 GLU 47 -4.827 1.758 -12.022 348 HG3 GLU 47 HG3 GLU 47 -5.930 0.749 -12.964 349 H HIS 48 H HIS 48 -4.783 -0.196 -9.698 350 HA HIS 48 HA HIS 48 -6.359 -2.721 -10.011 351 HB2 HIS 48 HB2 HIS 48 -3.580 -1.937 -10.931 352 HB3 HIS 48 HB3 HIS 48 -4.178 -3.582 -10.981 353 HD1 HIS 48 HD1 HIS 48 -3.466 -1.274 -13.397 354 HD2 HIS 48 HD2 HIS 48 -7.002 -3.287 -12.344 355 HE1 HIS 48 HE1 HIS 48 -4.918 -1.319 -15.504 356 H CYS 49 H CYS 49 -4.905 -0.947 -7.664 357 HA CYS 49 HA CYS 49 -3.746 -3.278 -6.178 358 HB2 CYS 49 HB2 CYS 49 -2.805 -0.410 -6.383 359 HB3 CYS 49 HB3 CYS 49 -2.172 -1.561 -5.207 360 H GLY 50 H GLY 50 -6.518 -2.546 -5.900 361 HA2 GLY 50 HA2 GLY 50 -7.050 -0.537 -4.011 362 HA3 GLY 50 HA3 GLY 50 -8.107 -1.908 -4.382 363 H HIS 51 H HIS 51 -6.613 -4.055 -3.361 364 HA HIS 51 HA HIS 51 -7.168 -3.836 -0.547 365 HB2 HIS 51 HB2 HIS 51 -7.436 -5.881 -1.890 366 HB3 HIS 51 HB3 HIS 51 -5.693 -5.972 -2.125 367 HD1 HIS 51 HD1 HIS 51 -7.668 -5.519 1.246 368 HD2 HIS 51 HD2 HIS 51 -5.096 -8.131 -0.829 369 HE1 HIS 51 HE1 HIS 51 -7.175 -7.442 2.823 370 H LEU 52 H LEU 52 -4.090 -3.663 -2.413 371 HA LEU 52 HA LEU 52 -2.386 -3.507 -0.125 372 HB2 LEU 52 HB2 LEU 52 -1.953 -3.786 -2.773 373 HB3 LEU 52 HB3 LEU 52 -1.755 -2.050 -2.692 374 HG LEU 52 HG LEU 52 0.403 -2.999 -2.552 375 HD11 LEU 52 HD11 LEU 52 -0.029 -1.205 -0.834 376 HD12 LEU 52 HD12 LEU 52 1.305 -2.311 -0.431 377 HD13 LEU 52 HD13 LEU 52 -0.257 -2.490 0.369 378 HD21 LEU 52 HD21 LEU 52 1.091 -4.746 -0.994 379 HD22 LEU 52 HD22 LEU 52 -0.262 -5.310 -1.982 380 HD23 LEU 52 HD23 LEU 52 -0.542 -4.824 -0.301 381 H ILE 53 H ILE 53 -4.014 -0.934 -2.035 382 HA ILE 53 HA ILE 53 -3.053 1.340 -0.584 383 HB ILE 53 HB ILE 53 -5.584 0.788 -2.140 384 HG12 ILE 53 HG12 ILE 53 -3.215 2.603 -2.801 385 HG13 ILE 53 HG13 ILE 53 -3.241 0.897 -3.238 386 HG21 ILE 53 HG21 ILE 53 -4.705 3.516 -1.099 387 HG22 ILE 53 HG22 ILE 53 -6.084 3.186 -2.155 388 HG23 ILE 53 HG23 ILE 53 -6.116 2.608 -0.505 389 HD11 ILE 53 HD11 ILE 53 -5.209 3.002 -4.188 390 HD12 ILE 53 HD12 ILE 53 -3.976 2.145 -5.121 391 HD13 ILE 53 HD13 ILE 53 -5.370 1.249 -4.478 392 H GLU 54 H GLU 54 -5.937 -0.707 -0.073 393 HA GLU 54 HA GLU 54 -6.828 0.708 2.256 394 HB2 GLU 54 HB2 GLU 54 -8.290 -0.635 0.846 395 HB3 GLU 54 HB3 GLU 54 -7.512 -2.123 1.419 396 HG2 GLU 54 HG2 GLU 54 -8.330 -1.802 3.643 397 HG3 GLU 54 HG3 GLU 54 -8.691 -0.096 3.354 398 H ALA 55 H ALA 55 -4.751 -2.172 1.934 399 HA ALA 55 HA ALA 55 -4.392 -2.670 4.726 400 HB1 ALA 55 HB1 ALA 55 -3.841 -4.346 3.025 401 HB2 ALA 55 HB2 ALA 55 -2.577 -3.288 2.351 402 HB3 ALA 55 HB3 ALA 55 -2.387 -3.953 3.980 403 H HIS 56 H HIS 56 -2.546 -0.612 2.440 404 HA HIS 56 HA HIS 56 -0.517 0.255 4.255 405 HB2 HIS 56 HB2 HIS 56 -0.279 0.552 1.885 406 HB3 HIS 56 HB3 HIS 56 -1.771 1.471 1.770 407 HD1 HIS 56 HD1 HIS 56 -1.593 4.056 2.027 408 HD2 HIS 56 HD2 HIS 56 1.879 1.919 3.070 409 HE1 HIS 56 HE1 HIS 56 0.246 5.789 2.360 410 H LYS 57 H LYS 57 -3.709 1.851 3.462 411 HA LYS 57 HA LYS 57 -3.249 3.869 5.476 412 HB2 LYS 57 HB2 LYS 57 -5.435 4.659 5.089 413 HB3 LYS 57 HB3 LYS 57 -4.746 4.159 3.544 414 HG2 LYS 57 HG2 LYS 57 -6.064 2.092 3.587 415 HG3 LYS 57 HG3 LYS 57 -6.761 2.538 5.157 416 HD2 LYS 57 HD2 LYS 57 -7.637 4.656 4.100 417 HD3 LYS 57 HD3 LYS 57 -7.087 4.037 2.529 418 HE2 LYS 57 HE2 LYS 57 -8.564 2.044 2.847 419 HE3 LYS 57 HE3 LYS 57 -9.135 2.724 4.380 420 HZ1 LYS 57 HZ1 LYS 57 -9.988 4.636 3.130 421 HZ2 LYS 57 HZ2 LYS 57 -10.620 3.227 2.538 422 HZ3 LYS 57 HZ3 LYS 57 -9.427 4.003 1.717 423 H GLU 58 H GLU 58 -4.960 0.771 5.698 424 HA GLU 58 HA GLU 58 -5.800 1.176 8.448 425 HB2 GLU 58 HB2 GLU 58 -5.528 -1.318 6.739 426 HB3 GLU 58 HB3 GLU 58 -6.123 -1.333 8.407 427 HG2 GLU 58 HG2 GLU 58 -7.907 0.258 7.834 428 HG3 GLU 58 HG3 GLU 58 -7.379 0.304 6.156 429 H SER 59 H SER 59 -2.779 -0.114 7.059 430 HA SER 59 HA SER 59 -1.667 -0.929 9.605 431 HB2 SER 59 HB2 SER 59 -0.817 -1.636 7.354 432 HB3 SER 59 HB3 SER 59 -0.159 0.003 7.135 433 HG SER 59 HG SER 59 1.407 -0.502 8.435 434 H MET 60 H MET 60 -1.441 2.176 7.711 435 HA MET 60 HA MET 60 -0.061 3.525 9.854 436 HB2 MET 60 HB2 MET 60 -1.783 4.761 7.694 437 HB3 MET 60 HB3 MET 60 -0.638 5.595 8.756 438 HG2 MET 60 HG2 MET 60 -0.105 3.790 6.429 439 HG3 MET 60 HG3 MET 60 0.520 5.397 6.784 440 HE1 MET 60 HE1 MET 60 2.765 4.284 5.696 441 HE2 MET 60 HE2 MET 60 3.571 2.859 6.388 442 HE3 MET 60 HE3 MET 60 1.969 2.696 5.642 443 H ARG 61 H ARG 61 -3.531 2.881 9.436 444 HA ARG 61 HA ARG 61 -4.410 4.483 11.661 445 HB2 ARG 61 HB2 ARG 61 -5.807 3.226 9.884 446 HB3 ARG 61 HB3 ARG 61 -5.615 1.800 10.912 447 HG2 ARG 61 HG2 ARG 61 -6.606 3.108 12.830 448 HG3 ARG 61 HG3 ARG 61 -6.850 4.449 11.701 449 HD2 ARG 61 HD2 ARG 61 -8.074 2.542 10.266 450 HD3 ARG 61 HD3 ARG 61 -8.239 1.772 11.848 451 HE ARG 61 HE ARG 61 -9.075 4.386 12.245 452 HH11 ARG 61 HH11 ARG 61 -10.098 1.773 10.040 453 HH12 ARG 61 HH12 ARG 61 -11.712 2.423 9.856 454 HH21 ARG 61 HH21 ARG 61 -11.174 5.188 11.974 455 HH22 ARG 61 HH22 ARG 61 -12.322 4.349 10.954 456 H ALA 62 H ALA 62 -3.082 1.150 11.480 457 HA ALA 62 HA ALA 62 -3.135 0.739 14.318 458 HB1 ALA 62 HB1 ALA 62 -2.982 -1.098 12.668 459 HB2 ALA 62 HB2 ALA 62 -1.318 -0.604 12.285 460 HB3 ALA 62 HB3 ALA 62 -1.722 -1.179 13.909 461 H LEU 63 H LEU 63 -1.040 2.838 12.483 462 HA LEU 63 HA LEU 63 0.716 3.129 14.897 463 HB2 LEU 63 HB2 LEU 63 0.908 4.359 12.124 464 HB3 LEU 63 HB3 LEU 63 1.878 4.841 13.500 465 HG LEU 63 HG LEU 63 3.256 3.495 12.231 466 HD11 LEU 63 HD11 LEU 63 3.302 3.022 14.698 467 HD12 LEU 63 HD12 LEU 63 3.888 1.685 13.680 468 HD13 LEU 63 HD13 LEU 63 2.276 1.599 14.386 469 HD21 LEU 63 HD21 LEU 63 1.594 2.326 10.854 470 HD22 LEU 63 HD22 LEU 63 1.193 1.278 12.227 471 HD23 LEU 63 HD23 LEU 63 2.809 1.216 11.504 472 H GLY 64 H GLY 64 -2.185 4.277 13.711 473 HA2 GLY 64 HA2 GLY 64 -3.650 5.786 14.402 474 HA3 GLY 64 HA3 GLY 64 -2.626 6.179 15.787 475 H PHE 65 H PHE 65 -1.448 6.579 12.470 476 HA PHE 65 HA PHE 65 -1.840 9.532 12.685 477 HB2 PHE 65 HB2 PHE 65 0.282 9.926 11.601 478 HB3 PHE 65 HB3 PHE 65 0.367 9.185 13.176 479 HD1 PHE 65 HD2 PHE 65 0.297 7.863 9.565 480 HD2 PHE 65 HD1 PHE 65 2.201 7.850 13.448 481 HE1 PHE 65 HE2 PHE 65 2.045 6.377 8.709 482 HE2 PHE 65 HE1 PHE 65 3.944 6.332 12.562 483 HZ PHE 65 HZ PHE 65 3.867 5.577 10.190 484 H LYS 66 H LYS 66 -3.623 7.650 11.426 485 HA LYS 66 HA LYS 66 -3.732 8.992 8.798 486 HB2 LYS 66 HB2 LYS 66 -2.445 7.007 8.413 487 HB3 LYS 66 HB3 LYS 66 -3.662 5.953 9.097 488 HG2 LYS 66 HG2 LYS 66 -3.558 5.962 6.583 489 HG3 LYS 66 HG3 LYS 66 -5.134 6.479 7.135 490 HD2 LYS 66 HD2 LYS 66 -4.454 8.878 6.751 491 HD3 LYS 66 HD3 LYS 66 -2.883 8.283 6.173 492 HE2 LYS 66 HE2 LYS 66 -4.041 7.073 4.343 493 HE3 LYS 66 HE3 LYS 66 -5.602 7.668 4.929 494 HZ1 LYS 66 HZ1 LYS 66 -4.793 9.950 4.507 495 HZ2 LYS 66 HZ2 LYS 66 -4.777 9.061 3.134 496 HZ3 LYS 66 HZ3 LYS 66 -3.380 9.373 3.930 497 H ILE 67 H ILE 67 -5.876 6.353 9.085 498 HA ILE 67 HA ILE 67 -8.115 8.248 8.971 499 HB ILE 67 HB ILE 67 -9.431 6.106 8.451 500 HG12 ILE 67 HG12 ILE 67 -6.660 4.935 7.944 501 HG13 ILE 67 HG13 ILE 67 -7.618 4.591 9.376 502 HG21 ILE 67 HG21 ILE 67 -8.731 6.214 6.114 503 HG22 ILE 67 HG22 ILE 67 -8.751 7.823 6.829 504 HG23 ILE 67 HG23 ILE 67 -7.207 7.002 6.569 505 HD11 ILE 67 HD11 ILE 67 -9.424 3.650 7.958 506 HD12 ILE 67 HD12 ILE 67 -8.425 3.952 6.516 507 HD13 ILE 67 HD13 ILE 67 -7.872 2.809 7.754 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 -22.220 13.048 -32.116 2 H2 GLY 1 H2 GLY 1 -20.869 13.970 -32.332 3 H3 GLY 1 H3 GLY 1 -22.020 14.427 -31.241 4 HA2 GLY 1 HA2 GLY 1 -20.405 11.978 -31.040 5 HA3 GLY 1 HA3 GLY 1 -20.065 13.492 -30.171 6 H SER 2 H SER 2 -20.262 12.073 -28.235 7 HA SER 2 HA SER 2 -22.770 11.001 -27.409 8 HB2 SER 2 HB2 SER 2 -21.743 10.883 -25.192 9 HB3 SER 2 HB3 SER 2 -20.613 10.319 -26.433 10 HG SER 2 HG SER 2 -19.975 11.972 -24.672 11 H PHE 3 H PHE 3 -24.043 11.671 -25.576 12 HA PHE 3 HA PHE 3 -24.228 14.621 -25.108 13 HB2 PHE 3 HB2 PHE 3 -26.460 14.228 -24.239 14 HB3 PHE 3 HB3 PHE 3 -26.324 13.717 -25.910 15 HD1 PHE 3 HD2 PHE 3 -26.595 12.503 -22.393 16 HD2 PHE 3 HD1 PHE 3 -26.728 11.433 -26.570 17 HE1 PHE 3 HE2 PHE 3 -27.489 10.260 -21.793 18 HE2 PHE 3 HE1 PHE 3 -27.642 9.199 -25.964 19 HZ PHE 3 HZ PHE 3 -27.997 8.604 -23.576 20 H THR 4 H THR 4 -24.132 15.383 -22.989 21 HA THR 4 HA THR 4 -22.983 13.465 -21.019 22 HB THR 4 HB THR 4 -21.666 15.495 -21.672 23 HG1 THR 4 HG1 THR 4 -21.046 15.732 -19.450 24 HG21 THR 4 HG21 THR 4 -23.409 17.238 -21.472 25 HG22 THR 4 HG22 THR 4 -22.036 17.539 -20.399 26 HG23 THR 4 HG23 THR 4 -23.547 16.892 -19.728 27 H MET 5 H MET 5 -23.442 14.150 -18.662 28 HA MET 5 HA MET 5 -26.386 14.214 -18.219 29 HB2 MET 5 HB2 MET 5 -24.595 11.876 -17.437 30 HB3 MET 5 HB3 MET 5 -26.323 12.021 -17.116 31 HG2 MET 5 HG2 MET 5 -26.741 12.084 -19.577 32 HG3 MET 5 HG3 MET 5 -25.031 11.741 -19.844 33 HE1 MET 5 HE1 MET 5 -24.653 8.084 -18.441 34 HE2 MET 5 HE2 MET 5 -23.808 9.492 -19.121 35 HE3 MET 5 HE3 MET 5 -24.432 9.540 -17.456 36 HA PRO 6 HA PRO 6 -25.421 16.050 -14.321 37 HB2 PRO 6 HB2 PRO 6 -26.796 13.817 -12.824 38 HB3 PRO 6 HB3 PRO 6 -26.977 15.591 -12.632 39 HG2 PRO 6 HG2 PRO 6 -28.839 14.210 -14.008 40 HG3 PRO 6 HG3 PRO 6 -28.221 15.758 -14.680 41 HD2 PRO 6 HD2 PRO 6 -27.377 12.932 -15.381 42 HD3 PRO 6 HD3 PRO 6 -27.796 14.282 -16.482 43 H GLY 7 H GLY 7 -23.698 16.167 -12.983 44 HA2 GLY 7 HA2 GLY 7 -21.861 15.609 -11.742 45 HA3 GLY 7 HA3 GLY 7 -22.462 13.968 -11.613 46 H LEU 8 H LEU 8 -21.961 14.972 -14.864 47 HA LEU 8 HA LEU 8 -19.511 13.346 -15.120 48 HB2 LEU 8 HB2 LEU 8 -21.377 14.691 -17.043 49 HB3 LEU 8 HB3 LEU 8 -19.773 14.209 -17.561 50 HG LEU 8 HG LEU 8 -21.558 12.571 -18.087 51 HD11 LEU 8 HD11 LEU 8 -19.372 11.458 -16.286 52 HD12 LEU 8 HD12 LEU 8 -19.183 11.900 -17.994 53 HD13 LEU 8 HD13 LEU 8 -20.270 10.585 -17.539 54 HD21 LEU 8 HD21 LEU 8 -21.531 11.831 -15.140 55 HD22 LEU 8 HD22 LEU 8 -22.424 11.039 -16.446 56 HD23 LEU 8 HD23 LEU 8 -22.853 12.688 -15.953 57 H VAL 9 H VAL 9 -18.279 14.472 -13.688 58 HA VAL 9 HA VAL 9 -16.831 16.852 -14.712 59 HB VAL 9 HB VAL 9 -17.648 16.493 -11.793 60 HG11 VAL 9 HG11 VAL 9 -16.803 18.803 -11.557 61 HG12 VAL 9 HG12 VAL 9 -15.532 17.716 -12.116 62 HG13 VAL 9 HG13 VAL 9 -16.329 18.813 -13.269 63 HG21 VAL 9 HG21 VAL 9 -19.679 17.105 -13.044 64 HG22 VAL 9 HG22 VAL 9 -19.116 18.452 -12.059 65 HG23 VAL 9 HG23 VAL 9 -18.815 18.458 -13.807 66 H ASP 10 H ASP 10 -14.908 16.015 -15.077 67 HA ASP 10 HA ASP 10 -13.669 13.910 -13.439 68 HB2 ASP 10 HB2 ASP 10 -12.611 15.490 -15.794 69 HB3 ASP 10 HB3 ASP 10 -11.749 14.186 -14.971 70 H SER 11 H SER 11 -13.121 14.469 -11.453 71 HA SER 11 HA SER 11 -12.356 17.115 -10.654 72 HB2 SER 11 HB2 SER 11 -13.624 15.273 -9.351 73 HB3 SER 11 HB3 SER 11 -12.010 14.653 -8.950 74 HG SER 11 HG SER 11 -12.488 16.040 -7.356 75 H ASN 12 H ASN 12 -10.485 17.823 -9.581 76 HA ASN 12 HA ASN 12 -8.102 17.286 -10.995 77 HB2 ASN 12 HB2 ASN 12 -7.185 19.143 -9.801 78 HB3 ASN 12 HB3 ASN 12 -8.862 19.502 -10.165 79 HD21 ASN 12 HD21 ASN 12 -10.367 19.658 -8.411 80 HD22 ASN 12 HD22 ASN 12 -9.781 19.797 -6.755 81 HA PRO 13 HA PRO 13 -6.211 15.176 -7.078 82 HB2 PRO 13 HB2 PRO 13 -8.331 13.031 -7.019 83 HB3 PRO 13 HB3 PRO 13 -7.232 13.556 -5.698 84 HG2 PRO 13 HG2 PRO 13 -9.760 14.461 -5.730 85 HG3 PRO 13 HG3 PRO 13 -8.433 15.648 -5.490 86 HD2 PRO 13 HD2 PRO 13 -9.889 14.957 -8.060 87 HD3 PRO 13 HD3 PRO 13 -9.558 16.575 -7.363 88 H ALA 14 H ALA 14 -4.860 13.325 -7.235 89 HA ALA 14 HA ALA 14 -3.394 12.080 -8.366 90 HB1 ALA 14 HB1 ALA 14 -5.802 10.858 -9.735 91 HB2 ALA 14 HB2 ALA 14 -4.190 10.148 -9.577 92 HB3 ALA 14 HB3 ALA 14 -5.180 10.418 -8.129 93 HA PRO 15 HA PRO 15 -3.083 14.654 -12.265 94 HB2 PRO 15 HB2 PRO 15 -1.006 16.247 -11.480 95 HB3 PRO 15 HB3 PRO 15 -2.712 16.670 -11.152 96 HG2 PRO 15 HG2 PRO 15 -0.737 15.312 -9.289 97 HG3 PRO 15 HG3 PRO 15 -1.779 16.728 -8.946 98 HD2 PRO 15 HD2 PRO 15 -2.492 14.193 -8.239 99 HD3 PRO 15 HD3 PRO 15 -3.709 15.389 -8.779 100 HA PRO 16 HA PRO 16 0.421 11.979 -13.198 101 HB2 PRO 16 HB2 PRO 16 1.724 13.210 -15.246 102 HB3 PRO 16 HB3 PRO 16 0.103 12.474 -15.439 103 HG2 PRO 16 HG2 PRO 16 0.786 15.387 -14.927 104 HG3 PRO 16 HG3 PRO 16 -0.322 14.707 -16.157 105 HD2 PRO 16 HD2 PRO 16 -1.210 15.682 -13.752 106 HD3 PRO 16 HD3 PRO 16 -2.000 14.294 -14.545 107 H GLU 17 H GLU 17 2.492 11.705 -12.658 108 HA GLU 17 HA GLU 17 4.329 11.819 -11.464 109 HB2 GLU 17 HB2 GLU 17 5.121 13.470 -13.096 110 HB3 GLU 17 HB3 GLU 17 4.540 14.785 -12.055 111 HG2 GLU 17 HG2 GLU 17 6.046 14.093 -10.258 112 HG3 GLU 17 HG3 GLU 17 6.498 12.639 -11.153 113 H SER 18 H SER 18 4.576 11.534 -9.399 114 HA SER 18 HA SER 18 3.062 13.078 -7.385 115 HB2 SER 18 HB2 SER 18 3.362 10.625 -7.204 116 HB3 SER 18 HB3 SER 18 5.115 10.869 -7.077 117 HG SER 18 HG SER 18 4.453 10.804 -5.041 118 H GLN 19 H GLN 19 3.819 14.935 -6.577 119 HA GLN 19 HA GLN 19 6.769 15.436 -6.495 120 HB2 GLN 19 HB2 GLN 19 4.549 17.444 -6.975 121 HB3 GLN 19 HB3 GLN 19 6.278 17.797 -6.803 122 HG2 GLN 19 HG2 GLN 19 6.727 16.252 -8.767 123 HG3 GLN 19 HG3 GLN 19 4.985 16.103 -8.996 124 HE21 GLN 19 HE21 GLN 19 6.132 16.954 -11.223 125 HE22 GLN 19 HE22 GLN 19 5.839 18.669 -11.423 126 H GLU 20 H GLU 20 6.218 14.037 -4.558 127 HA GLU 20 HA GLU 20 6.120 15.821 -2.176 128 HB2 GLU 20 HB2 GLU 20 5.142 14.140 -0.850 129 HB3 GLU 20 HB3 GLU 20 4.156 14.229 -2.313 130 HG2 GLU 20 HG2 GLU 20 5.451 12.232 -3.201 131 HG3 GLU 20 HG3 GLU 20 6.253 12.113 -1.634 132 H LYS 21 H LYS 21 7.590 15.342 -0.514 133 HA LYS 21 HA LYS 21 9.813 13.402 -1.010 134 HB2 LYS 21 HB2 LYS 21 10.460 15.734 -1.627 135 HB3 LYS 21 HB3 LYS 21 9.990 16.281 -0.011 136 HG2 LYS 21 HG2 LYS 21 11.745 14.732 0.947 137 HG3 LYS 21 HG3 LYS 21 12.279 14.400 -0.702 138 HD2 LYS 21 HD2 LYS 21 12.258 17.128 0.692 139 HD3 LYS 21 HD3 LYS 21 13.658 16.099 0.434 140 HE2 LYS 21 HE2 LYS 21 14.059 17.220 -1.438 141 HE3 LYS 21 HE3 LYS 21 12.713 16.348 -2.155 142 HZ1 LYS 21 HZ1 LYS 21 12.511 18.712 -2.472 143 HZ2 LYS 21 HZ2 LYS 21 12.541 19.040 -0.862 144 HZ3 LYS 21 HZ3 LYS 21 11.268 18.238 -1.527 145 H LYS 22 H LYS 22 9.859 11.981 0.629 146 HA LYS 22 HA LYS 22 9.161 12.805 3.415 147 HB2 LYS 22 HB2 LYS 22 7.141 11.869 2.397 148 HB3 LYS 22 HB3 LYS 22 8.025 10.425 1.929 149 HG2 LYS 22 HG2 LYS 22 6.672 9.950 3.867 150 HG3 LYS 22 HG3 LYS 22 8.370 9.799 4.274 151 HD2 LYS 22 HD2 LYS 22 7.165 10.849 6.097 152 HD3 LYS 22 HD3 LYS 22 8.320 11.979 5.429 153 HE2 LYS 22 HE2 LYS 22 6.225 13.098 5.952 154 HE3 LYS 22 HE3 LYS 22 6.518 13.169 4.215 155 HZ1 LYS 22 HZ1 LYS 22 4.214 12.567 5.010 156 HZ2 LYS 22 HZ2 LYS 22 4.795 11.075 5.412 157 HZ3 LYS 22 HZ3 LYS 22 4.829 11.583 3.844 158 HA PRO 23 HA PRO 23 13.037 10.471 3.509 159 HB2 PRO 23 HB2 PRO 23 14.195 11.559 5.713 160 HB3 PRO 23 HB3 PRO 23 13.987 12.485 4.195 161 HG2 PRO 23 HG2 PRO 23 12.170 12.488 6.635 162 HG3 PRO 23 HG3 PRO 23 12.871 13.903 5.786 163 HD2 PRO 23 HD2 PRO 23 10.354 12.992 5.252 164 HD3 PRO 23 HD3 PRO 23 11.400 13.660 3.963 165 H LEU 24 H LEU 24 14.081 8.887 4.769 166 HA LEU 24 HA LEU 24 12.492 7.403 6.744 167 HB2 LEU 24 HB2 LEU 24 13.860 6.232 5.057 168 HB3 LEU 24 HB3 LEU 24 15.311 7.035 5.655 169 HG LEU 24 HG LEU 24 15.033 5.873 7.859 170 HD11 LEU 24 HD11 LEU 24 13.505 3.930 7.988 171 HD12 LEU 24 HD12 LEU 24 12.791 4.383 6.425 172 HD13 LEU 24 HD13 LEU 24 12.607 5.441 7.844 173 HD21 LEU 24 HD21 LEU 24 15.104 4.073 5.412 174 HD22 LEU 24 HD22 LEU 24 15.692 3.642 7.035 175 HD23 LEU 24 HD23 LEU 24 16.485 4.940 6.123 176 H LYS 25 H LYS 25 12.595 7.638 8.884 177 HA LYS 25 HA LYS 25 14.786 9.128 10.202 178 HB2 LYS 25 HB2 LYS 25 13.174 10.791 11.102 179 HB3 LYS 25 HB3 LYS 25 13.295 10.838 9.348 180 HG2 LYS 25 HG2 LYS 25 11.205 9.465 9.184 181 HG3 LYS 25 HG3 LYS 25 11.047 9.523 10.938 182 HD2 LYS 25 HD2 LYS 25 11.020 11.910 9.032 183 HD3 LYS 25 HD3 LYS 25 9.598 11.127 9.735 184 HE2 LYS 25 HE2 LYS 25 10.511 11.688 12.034 185 HE3 LYS 25 HE3 LYS 25 11.784 12.632 11.240 186 HZ1 LYS 25 HZ1 LYS 25 10.099 14.033 10.278 187 HZ2 LYS 25 HZ2 LYS 25 9.841 13.965 11.897 188 HZ3 LYS 25 HZ3 LYS 25 8.871 13.112 10.895 189 HA PRO 26 HA PRO 26 13.947 6.730 13.796 190 HB2 PRO 26 HB2 PRO 26 14.006 9.240 15.457 191 HB3 PRO 26 HB3 PRO 26 14.887 7.702 15.692 192 HG2 PRO 26 HG2 PRO 26 16.165 9.833 14.627 193 HG3 PRO 26 HG3 PRO 26 16.400 8.205 13.918 194 HD2 PRO 26 HD2 PRO 26 14.588 10.421 12.938 195 HD3 PRO 26 HD3 PRO 26 15.729 9.393 12.026 196 H CYS 27 H CYS 27 11.617 9.211 13.050 197 HA CYS 27 HA CYS 27 9.577 8.168 14.904 198 HB2 CYS 27 HB2 CYS 27 9.305 9.900 12.413 199 HB3 CYS 27 HB3 CYS 27 8.003 9.460 13.522 200 HG CYS 27 HG CYS 27 10.828 11.008 14.370 201 H CYS 28 H CYS 28 8.952 6.116 14.704 202 HA CYS 28 HA CYS 28 9.451 4.562 12.392 203 HB2 CYS 28 HB2 CYS 28 8.446 2.724 13.635 204 HB3 CYS 28 HB3 CYS 28 9.498 3.677 14.687 205 HG CYS 28 HG CYS 28 7.680 5.043 15.859 206 H ALA 29 H ALA 29 8.016 3.195 11.205 207 HA ALA 29 HA ALA 29 5.250 4.164 10.698 208 HB1 ALA 29 HB1 ALA 29 7.397 3.802 8.560 209 HB2 ALA 29 HB2 ALA 29 5.721 4.322 8.298 210 HB3 ALA 29 HB3 ALA 29 6.839 5.373 9.172 211 H SER 30 H SER 30 4.518 2.534 8.652 212 HA SER 30 HA SER 30 5.446 -0.249 9.234 213 HB2 SER 30 HB2 SER 30 2.899 0.740 7.921 214 HB3 SER 30 HB3 SER 30 3.416 -0.959 8.018 215 HG SER 30 HG SER 30 1.968 0.001 9.756 216 HA PRO 31 HA PRO 31 7.489 1.483 5.428 217 HB2 PRO 31 HB2 PRO 31 9.879 0.131 5.631 218 HB3 PRO 31 HB3 PRO 31 9.514 1.677 6.456 219 HG2 PRO 31 HG2 PRO 31 9.280 -1.139 7.581 220 HG3 PRO 31 HG3 PRO 31 10.086 0.293 8.315 221 HD2 PRO 31 HD2 PRO 31 7.598 -0.366 9.040 222 HD3 PRO 31 HD3 PRO 31 8.014 1.348 8.747 223 H GLU 32 H GLU 32 7.018 -1.923 6.386 224 HA GLU 32 HA GLU 32 7.775 -3.010 3.784 225 HB2 GLU 32 HB2 GLU 32 6.161 -4.296 6.026 226 HB3 GLU 32 HB3 GLU 32 6.934 -5.123 4.670 227 HG2 GLU 32 HG2 GLU 32 9.149 -4.377 5.428 228 HG3 GLU 32 HG3 GLU 32 8.432 -3.513 6.788 229 H THR 33 H THR 33 4.674 -2.078 5.327 230 HA THR 33 HA THR 33 3.117 -2.977 3.026 231 HB THR 33 HB THR 33 1.201 -1.894 4.023 232 HG1 THR 33 HG1 THR 33 1.791 -1.125 6.315 233 HG21 THR 33 HG21 THR 33 2.727 -3.228 6.288 234 HG22 THR 33 HG22 THR 33 1.983 -4.124 4.935 235 HG23 THR 33 HG23 THR 33 0.967 -3.173 6.016 236 H LYS 34 H LYS 34 4.598 0.064 4.085 237 HA LYS 34 HA LYS 34 3.755 1.722 1.886 238 HB2 LYS 34 HB2 LYS 34 4.683 2.955 3.560 239 HB3 LYS 34 HB3 LYS 34 5.889 1.742 3.960 240 HG2 LYS 34 HG2 LYS 34 7.268 2.352 2.058 241 HG3 LYS 34 HG3 LYS 34 6.063 3.542 1.514 242 HD2 LYS 34 HD2 LYS 34 6.457 4.926 3.432 243 HD3 LYS 34 HD3 LYS 34 7.371 3.648 4.263 244 HE2 LYS 34 HE2 LYS 34 9.161 3.745 2.620 245 HE3 LYS 34 HE3 LYS 34 8.247 4.902 1.632 246 HZ1 LYS 34 HZ1 LYS 34 8.366 6.500 3.385 247 HZ2 LYS 34 HZ2 LYS 34 9.890 6.045 3.026 248 HZ3 LYS 34 HZ3 LYS 34 9.161 5.460 4.398 249 H LYS 35 H LYS 35 6.687 -0.371 2.156 250 HA LYS 35 HA LYS 35 7.622 0.126 -0.487 251 HB2 LYS 35 HB2 LYS 35 8.166 -1.918 1.628 252 HB3 LYS 35 HB3 LYS 35 8.372 -2.504 -0.009 253 HG2 LYS 35 HG2 LYS 35 10.471 -1.754 0.538 254 HG3 LYS 35 HG3 LYS 35 9.830 -0.482 -0.498 255 HD2 LYS 35 HD2 LYS 35 9.278 0.835 1.632 256 HD3 LYS 35 HD3 LYS 35 10.113 -0.430 2.541 257 HE2 LYS 35 HE2 LYS 35 11.269 1.474 0.469 258 HE3 LYS 35 HE3 LYS 35 11.618 1.420 2.198 259 HZ1 LYS 35 HZ1 LYS 35 12.686 -0.767 1.827 260 HZ2 LYS 35 HZ2 LYS 35 13.393 0.431 0.917 261 HZ3 LYS 35 HZ3 LYS 35 12.403 -0.649 0.222 262 H ALA 36 H ALA 36 5.350 -2.425 0.635 263 HA ALA 36 HA ALA 36 4.918 -3.467 -2.005 264 HB1 ALA 36 HB1 ALA 36 3.205 -3.614 0.503 265 HB2 ALA 36 HB2 ALA 36 3.014 -4.618 -0.960 266 HB3 ALA 36 HB3 ALA 36 4.483 -4.742 0.009 267 H ARG 37 H ARG 37 3.102 -0.919 -0.206 268 HA ARG 37 HA ARG 37 1.090 -0.353 -2.112 269 HB2 ARG 37 HB2 ARG 37 0.983 0.634 0.049 270 HB3 ARG 37 HB3 ARG 37 2.564 1.385 -0.106 271 HG2 ARG 37 HG2 ARG 37 0.901 3.097 -0.311 272 HG3 ARG 37 HG3 ARG 37 1.705 2.902 -1.859 273 HD2 ARG 37 HD2 ARG 37 -0.270 1.401 -2.540 274 HD3 ARG 37 HD3 ARG 37 -1.070 1.962 -1.059 275 HE ARG 37 HE ARG 37 -0.374 3.483 -3.504 276 HH11 ARG 37 HH11 ARG 37 -1.749 3.717 -0.210 277 HH12 ARG 37 HH12 ARG 37 -2.484 5.272 -0.535 278 HH21 ARG 37 HH21 ARG 37 -1.360 5.432 -3.878 279 HH22 ARG 37 HH22 ARG 37 -2.276 6.243 -2.623 280 H ASP 38 H ASP 38 4.335 1.166 -1.846 281 HA ASP 38 HA ASP 38 4.144 2.646 -4.291 282 HB2 ASP 38 HB2 ASP 38 6.480 1.694 -2.585 283 HB3 ASP 38 HB3 ASP 38 6.705 2.623 -4.064 284 H ALA 39 H ALA 39 5.350 -0.685 -3.650 285 HA ALA 39 HA ALA 39 6.461 -1.077 -6.220 286 HB1 ALA 39 HB1 ALA 39 6.333 -3.486 -5.689 287 HB2 ALA 39 HB2 ALA 39 6.968 -2.559 -4.323 288 HB3 ALA 39 HB3 ALA 39 5.284 -3.138 -4.304 289 H CYS 40 H CYS 40 3.152 -1.896 -5.042 290 HA CYS 40 HA CYS 40 2.250 -2.849 -7.620 291 HB2 CYS 40 HB2 CYS 40 1.344 -3.399 -5.328 292 HB3 CYS 40 HB3 CYS 40 0.566 -1.820 -5.303 293 H ILE 41 H ILE 41 2.066 0.393 -6.027 294 HA ILE 41 HA ILE 41 0.543 1.598 -8.172 295 HB ILE 41 HB ILE 41 2.038 2.572 -5.765 296 HG12 ILE 41 HG12 ILE 41 -0.091 3.649 -5.269 297 HG13 ILE 41 HG13 ILE 41 -0.692 3.311 -6.888 298 HG21 ILE 41 HG21 ILE 41 2.806 4.203 -7.443 299 HG22 ILE 41 HG22 ILE 41 1.107 4.481 -7.938 300 HG23 ILE 41 HG23 ILE 41 1.670 4.911 -6.309 301 HD11 ILE 41 HD11 ILE 41 -0.903 0.944 -6.397 302 HD12 ILE 41 HD12 ILE 41 -0.178 1.179 -4.790 303 HD13 ILE 41 HD13 ILE 41 -1.740 1.907 -5.172 304 H ILE 42 H ILE 42 4.061 1.115 -7.749 305 HA ILE 42 HA ILE 42 4.702 2.508 -10.229 306 HB ILE 42 HB ILE 42 6.192 0.523 -8.496 307 HG12 ILE 42 HG12 ILE 42 6.763 3.448 -9.151 308 HG13 ILE 42 HG13 ILE 42 5.773 2.970 -7.789 309 HG21 ILE 42 HG21 ILE 42 7.232 1.867 -11.036 310 HG22 ILE 42 HG22 ILE 42 8.222 0.975 -9.862 311 HG23 ILE 42 HG23 ILE 42 7.008 0.117 -10.783 312 HD11 ILE 42 HD11 ILE 42 7.976 3.409 -6.965 313 HD12 ILE 42 HD12 ILE 42 7.699 1.659 -6.856 314 HD13 ILE 42 HD13 ILE 42 8.724 2.329 -8.150 315 H GLU 43 H GLU 43 4.009 -0.895 -9.467 316 HA GLU 43 HA GLU 43 4.676 -1.930 -12.060 317 HB2 GLU 43 HB2 GLU 43 5.029 -3.166 -10.032 318 HB3 GLU 43 HB3 GLU 43 3.337 -3.013 -9.576 319 HG2 GLU 43 HG2 GLU 43 3.849 -5.266 -10.208 320 HG3 GLU 43 HG3 GLU 43 2.626 -4.552 -11.233 321 H LYS 44 H LYS 44 1.470 -1.388 -10.521 322 HA LYS 44 HA LYS 44 0.140 -1.762 -13.205 323 HB2 LYS 44 HB2 LYS 44 -0.971 -2.324 -10.432 324 HB3 LYS 44 HB3 LYS 44 -1.890 -2.360 -11.934 325 HG2 LYS 44 HG2 LYS 44 -0.392 -4.182 -12.794 326 HG3 LYS 44 HG3 LYS 44 0.349 -4.265 -11.178 327 HD2 LYS 44 HD2 LYS 44 -1.856 -4.752 -10.173 328 HD3 LYS 44 HD3 LYS 44 -2.627 -4.607 -11.769 329 HE2 LYS 44 HE2 LYS 44 -1.300 -6.508 -12.609 330 HE3 LYS 44 HE3 LYS 44 -0.516 -6.671 -11.029 331 HZ1 LYS 44 HZ1 LYS 44 -2.389 -8.208 -11.241 332 HZ2 LYS 44 HZ2 LYS 44 -3.433 -6.967 -11.521 333 HZ3 LYS 44 HZ3 LYS 44 -2.723 -7.096 -10.068 334 H GLY 45 H GLY 45 0.205 0.193 -10.250 335 HA2 GLY 45 HA2 GLY 45 -0.435 2.523 -10.186 336 HA3 GLY 45 HA3 GLY 45 -1.393 2.288 -11.638 337 H GLU 46 H GLU 46 -2.581 3.649 -9.759 338 HA GLU 46 HA GLU 46 -3.423 2.327 -7.428 339 HB2 GLU 46 HB2 GLU 46 -4.368 4.845 -8.822 340 HB3 GLU 46 HB3 GLU 46 -5.086 4.303 -7.306 341 HG2 GLU 46 HG2 GLU 46 -2.894 4.352 -6.187 342 HG3 GLU 46 HG3 GLU 46 -2.129 4.861 -7.704 343 H GLU 47 H GLU 47 -5.102 2.204 -10.552 344 HA GLU 47 HA GLU 47 -7.695 1.611 -9.297 345 HB2 GLU 47 HB2 GLU 47 -6.872 1.543 -12.210 346 HB3 GLU 47 HB3 GLU 47 -8.514 1.384 -11.614 347 HG2 GLU 47 HG2 GLU 47 -6.757 3.859 -11.263 348 HG3 GLU 47 HG3 GLU 47 -7.988 3.644 -12.495 349 H HIS 48 H HIS 48 -5.000 -0.347 -9.893 350 HA HIS 48 HA HIS 48 -6.700 -2.816 -9.756 351 HB2 HIS 48 HB2 HIS 48 -4.138 -2.367 -11.303 352 HB3 HIS 48 HB3 HIS 48 -4.826 -3.960 -10.988 353 HD1 HIS 48 HD1 HIS 48 -5.071 -1.233 -13.487 354 HD2 HIS 48 HD2 HIS 48 -7.358 -4.453 -12.047 355 HE1 HIS 48 HE1 HIS 48 -6.857 -1.699 -15.250 356 H CYS 49 H CYS 49 -5.108 -1.040 -7.711 357 HA CYS 49 HA CYS 49 -3.744 -3.303 -6.292 358 HB2 CYS 49 HB2 CYS 49 -3.068 -0.351 -6.392 359 HB3 CYS 49 HB3 CYS 49 -2.287 -1.510 -5.317 360 H GLY 50 H GLY 50 -6.644 -2.372 -6.071 361 HA2 GLY 50 HA2 GLY 50 -7.139 -0.655 -3.967 362 HA3 GLY 50 HA3 GLY 50 -8.208 -1.969 -4.448 363 H HIS 51 H HIS 51 -6.753 -4.256 -3.603 364 HA HIS 51 HA HIS 51 -7.208 -4.102 -0.742 365 HB2 HIS 51 HB2 HIS 51 -6.235 -6.343 -2.523 366 HB3 HIS 51 HB3 HIS 51 -6.434 -6.498 -0.780 367 HD1 HIS 51 HD1 HIS 51 -9.097 -5.488 0.006 368 HD2 HIS 51 HD2 HIS 51 -8.383 -7.186 -3.786 369 HE1 HIS 51 HE1 HIS 51 -11.383 -6.096 -0.952 370 H LEU 52 H LEU 52 -4.272 -3.807 -2.708 371 HA LEU 52 HA LEU 52 -2.494 -3.973 -0.426 372 HB2 LEU 52 HB2 LEU 52 -2.116 -4.075 -3.125 373 HB3 LEU 52 HB3 LEU 52 -1.749 -2.384 -2.862 374 HG LEU 52 HG LEU 52 0.309 -3.532 -2.775 375 HD11 LEU 52 HD11 LEU 52 -0.421 -3.284 0.175 376 HD12 LEU 52 HD12 LEU 52 -0.018 -1.908 -0.875 377 HD13 LEU 52 HD13 LEU 52 1.171 -3.176 -0.555 378 HD21 LEU 52 HD21 LEU 52 -0.588 -5.820 -2.500 379 HD22 LEU 52 HD22 LEU 52 -0.874 -5.508 -0.773 380 HD23 LEU 52 HD23 LEU 52 0.776 -5.507 -1.424 381 H ILE 53 H ILE 53 -4.040 -1.256 -2.164 382 HA ILE 53 HA ILE 53 -3.025 0.914 -0.615 383 HB ILE 53 HB ILE 53 -5.620 0.538 -2.115 384 HG12 ILE 53 HG12 ILE 53 -3.151 2.174 -2.874 385 HG13 ILE 53 HG13 ILE 53 -3.331 0.492 -3.342 386 HG21 ILE 53 HG21 ILE 53 -4.479 3.198 -1.156 387 HG22 ILE 53 HG22 ILE 53 -5.979 2.934 -2.054 388 HG23 ILE 53 HG23 ILE 53 -5.851 2.379 -0.395 389 HD11 ILE 53 HD11 ILE 53 -5.503 1.048 -4.445 390 HD12 ILE 53 HD12 ILE 53 -5.154 2.770 -4.147 391 HD13 ILE 53 HD13 ILE 53 -4.079 1.812 -5.178 392 H GLU 54 H GLU 54 -5.872 -1.129 -0.153 393 HA GLU 54 HA GLU 54 -6.978 -0.131 2.265 394 HB2 GLU 54 HB2 GLU 54 -8.058 -1.614 0.675 395 HB3 GLU 54 HB3 GLU 54 -6.842 -2.842 0.955 396 HG2 GLU 54 HG2 GLU 54 -7.725 -3.141 3.273 397 HG3 GLU 54 HG3 GLU 54 -9.034 -2.012 2.850 398 H ALA 55 H ALA 55 -4.602 -2.790 1.783 399 HA ALA 55 HA ALA 55 -4.195 -3.394 4.536 400 HB1 ALA 55 HB1 ALA 55 -3.562 -4.932 2.755 401 HB2 ALA 55 HB2 ALA 55 -2.382 -3.768 2.110 402 HB3 ALA 55 HB3 ALA 55 -2.116 -4.508 3.699 403 H HIS 56 H HIS 56 -2.300 -1.226 2.370 404 HA HIS 56 HA HIS 56 -0.428 -0.344 4.359 405 HB2 HIS 56 HB2 HIS 56 0.081 -0.076 2.049 406 HB3 HIS 56 HB3 HIS 56 -1.408 0.810 1.734 407 HD1 HIS 56 HD1 HIS 56 -1.232 3.389 1.802 408 HD2 HIS 56 HD2 HIS 56 1.943 1.400 3.712 409 HE1 HIS 56 HE1 HIS 56 0.491 5.178 2.384 410 H LYS 57 H LYS 57 -3.609 1.097 3.350 411 HA LYS 57 HA LYS 57 -3.209 3.360 5.063 412 HB2 LYS 57 HB2 LYS 57 -5.352 4.089 4.517 413 HB3 LYS 57 HB3 LYS 57 -4.702 3.297 3.081 414 HG2 LYS 57 HG2 LYS 57 -6.043 1.283 3.591 415 HG3 LYS 57 HG3 LYS 57 -6.751 2.107 4.994 416 HD2 LYS 57 HD2 LYS 57 -7.473 3.938 3.336 417 HD3 LYS 57 HD3 LYS 57 -7.012 2.800 2.052 418 HE2 LYS 57 HE2 LYS 57 -8.622 1.125 3.060 419 HE3 LYS 57 HE3 LYS 57 -9.081 2.357 4.250 420 HZ1 LYS 57 HZ1 LYS 57 -10.642 2.460 2.436 421 HZ2 LYS 57 HZ2 LYS 57 -9.450 2.510 1.313 422 HZ3 LYS 57 HZ3 LYS 57 -9.677 3.785 2.284 423 H GLU 58 H GLU 58 -4.940 0.284 5.700 424 HA GLU 58 HA GLU 58 -5.625 1.128 8.413 425 HB2 GLU 58 HB2 GLU 58 -5.464 -1.623 7.132 426 HB3 GLU 58 HB3 GLU 58 -5.912 -1.331 8.823 427 HG2 GLU 58 HG2 GLU 58 -7.713 0.241 8.024 428 HG3 GLU 58 HG3 GLU 58 -7.350 -0.228 6.367 429 H SER 59 H SER 59 -2.826 -0.660 7.094 430 HA SER 59 HA SER 59 -1.495 -1.200 9.537 431 HB2 SER 59 HB2 SER 59 -0.927 -2.165 7.310 432 HB3 SER 59 HB3 SER 59 -0.325 -0.571 6.804 433 HG SER 59 HG SER 59 0.627 -2.130 8.995 434 H MET 60 H MET 60 -1.389 1.731 7.503 435 HA MET 60 HA MET 60 0.423 3.039 9.396 436 HB2 MET 60 HB2 MET 60 0.227 3.262 6.739 437 HB3 MET 60 HB3 MET 60 -0.893 4.538 7.200 438 HG2 MET 60 HG2 MET 60 1.261 5.545 6.958 439 HG3 MET 60 HG3 MET 60 0.922 5.483 8.685 440 HE1 MET 60 HE1 MET 60 4.085 2.991 6.372 441 HE2 MET 60 HE2 MET 60 2.359 2.689 6.098 442 HE3 MET 60 HE3 MET 60 3.060 4.275 5.704 443 H ARG 61 H ARG 61 -3.127 2.951 8.960 444 HA ARG 61 HA ARG 61 -3.673 5.124 10.784 445 HB2 ARG 61 HB2 ARG 61 -5.396 4.082 9.391 446 HB3 ARG 61 HB3 ARG 61 -5.232 2.562 10.268 447 HG2 ARG 61 HG2 ARG 61 -5.979 3.629 12.350 448 HG3 ARG 61 HG3 ARG 61 -6.115 5.196 11.530 449 HD2 ARG 61 HD2 ARG 61 -7.970 4.425 10.209 450 HD3 ARG 61 HD3 ARG 61 -7.647 2.733 10.621 451 HE ARG 61 HE ARG 61 -8.725 2.947 12.616 452 HH11 ARG 61 HH11 ARG 61 -8.336 6.240 11.293 453 HH12 ARG 61 HH12 ARG 61 -9.343 6.958 12.530 454 HH21 ARG 61 HH21 ARG 61 -10.007 3.929 14.195 455 HH22 ARG 61 HH22 ARG 61 -10.277 5.659 14.168 456 H ALA 62 H ALA 62 -2.713 1.711 11.315 457 HA ALA 62 HA ALA 62 -2.866 1.736 14.146 458 HB1 ALA 62 HB1 ALA 62 -0.740 0.358 12.469 459 HB2 ALA 62 HB2 ALA 62 -1.298 -0.095 14.084 460 HB3 ALA 62 HB3 ALA 62 -2.397 -0.244 12.699 461 H LEU 63 H LEU 63 -0.721 3.676 12.162 462 HA LEU 63 HA LEU 63 0.865 4.459 14.572 463 HB2 LEU 63 HB2 LEU 63 1.350 4.910 11.600 464 HB3 LEU 63 HB3 LEU 63 2.251 5.685 12.896 465 HG LEU 63 HG LEU 63 3.600 3.988 12.099 466 HD11 LEU 63 HD11 LEU 63 4.053 2.592 14.001 467 HD12 LEU 63 HD12 LEU 63 2.419 2.827 14.645 468 HD13 LEU 63 HD13 LEU 63 3.562 4.192 14.577 469 HD21 LEU 63 HD21 LEU 63 3.032 1.657 11.904 470 HD22 LEU 63 HD22 LEU 63 1.876 2.635 10.979 471 HD23 LEU 63 HD23 LEU 63 1.406 1.946 12.541 472 H GLY 64 H GLY 64 -1.889 5.443 12.884 473 HA2 GLY 64 HA2 GLY 64 -3.313 7.102 13.552 474 HA3 GLY 64 HA3 GLY 64 -2.073 7.763 14.610 475 H PHE 65 H PHE 65 -0.798 7.607 11.480 476 HA PHE 65 HA PHE 65 -1.457 10.491 11.043 477 HB2 PHE 65 HB2 PHE 65 0.767 10.813 10.217 478 HB3 PHE 65 HB3 PHE 65 0.700 10.221 11.854 479 HD1 PHE 65 HD1 PHE 65 1.263 8.925 8.324 480 HD2 PHE 65 HD2 PHE 65 2.195 8.573 12.526 481 HE1 PHE 65 HE1 PHE 65 3.063 7.330 7.791 482 HE2 PHE 65 HE2 PHE 65 4.021 6.996 11.971 483 HZ PHE 65 HZ PHE 65 4.453 6.365 9.606 484 H LYS 66 H LYS 66 -2.962 8.237 9.822 485 HA LYS 66 HA LYS 66 -2.397 8.861 6.942 486 HB2 LYS 66 HB2 LYS 66 -1.418 6.746 7.572 487 HB3 LYS 66 HB3 LYS 66 -2.952 6.129 8.149 488 HG2 LYS 66 HG2 LYS 66 -2.549 5.218 5.972 489 HG3 LYS 66 HG3 LYS 66 -3.845 6.355 5.755 490 HD2 LYS 66 HD2 LYS 66 -0.985 7.247 5.245 491 HD3 LYS 66 HD3 LYS 66 -1.783 6.184 4.088 492 HE2 LYS 66 HE2 LYS 66 -3.630 7.791 3.815 493 HE3 LYS 66 HE3 LYS 66 -2.843 8.918 4.926 494 HZ1 LYS 66 HZ1 LYS 66 -1.014 9.127 3.400 495 HZ2 LYS 66 HZ2 LYS 66 -2.382 9.369 2.537 496 HZ3 LYS 66 HZ3 LYS 66 -1.594 7.936 2.416 497 H ILE 67 H ILE 67 -5.075 7.379 8.855 498 HA ILE 67 HA ILE 67 -7.043 8.943 7.264 499 HB ILE 67 HB ILE 67 -8.441 6.838 6.981 500 HG12 ILE 67 HG12 ILE 67 -5.792 5.358 7.136 501 HG13 ILE 67 HG13 ILE 67 -6.916 5.470 8.491 502 HG21 ILE 67 HG21 ILE 67 -5.925 7.076 5.284 503 HG22 ILE 67 HG22 ILE 67 -7.468 6.349 4.804 504 HG23 ILE 67 HG23 ILE 67 -7.373 8.080 5.131 505 HD11 ILE 67 HD11 ILE 67 -7.598 4.258 5.792 506 HD12 ILE 67 HD12 ILE 67 -7.216 3.367 7.281 507 HD13 ILE 67 HD13 ILE 67 -8.679 4.370 7.198 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 -29.124 -34.458 -18.710 2 H2 GLY 1 H2 GLY 1 -27.837 -35.423 -18.334 3 H3 GLY 1 H3 GLY 1 -27.672 -34.216 -19.435 4 HA2 GLY 1 HA2 GLY 1 -28.034 -32.543 -17.759 5 HA3 GLY 1 HA3 GLY 1 -28.204 -33.850 -16.566 6 H SER 2 H SER 2 -26.402 -32.841 -15.434 7 HA SER 2 HA SER 2 -23.792 -32.714 -16.636 8 HB2 SER 2 HB2 SER 2 -24.636 -32.682 -13.714 9 HB3 SER 2 HB3 SER 2 -22.994 -32.369 -14.309 10 HG SER 2 HG SER 2 -25.351 -30.886 -14.696 11 H PHE 3 H PHE 3 -22.068 -33.951 -16.496 12 HA PHE 3 HA PHE 3 -22.103 -36.531 -14.987 13 HB2 PHE 3 HB2 PHE 3 -20.478 -35.825 -17.460 14 HB3 PHE 3 HB3 PHE 3 -20.395 -37.329 -16.557 15 HD1 PHE 3 HD1 PHE 3 -22.248 -38.994 -16.661 16 HD2 PHE 3 HD2 PHE 3 -22.322 -35.386 -19.025 17 HE1 PHE 3 HE1 PHE 3 -24.009 -39.972 -18.107 18 HE2 PHE 3 HE2 PHE 3 -24.090 -36.362 -20.464 19 HZ PHE 3 HZ PHE 3 -24.925 -38.668 -20.021 20 H THR 4 H THR 4 -19.997 -37.044 -13.987 21 HA THR 4 HA THR 4 -18.828 -34.719 -12.719 22 HB THR 4 HB THR 4 -19.212 -37.090 -11.761 23 HG1 THR 4 HG1 THR 4 -18.426 -35.471 -10.594 24 HG21 THR 4 HG21 THR 4 -17.285 -38.529 -11.662 25 HG22 THR 4 HG22 THR 4 -16.342 -37.443 -12.700 26 HG23 THR 4 HG23 THR 4 -17.737 -38.324 -13.364 27 H MET 5 H MET 5 -16.753 -33.878 -12.876 28 HA MET 5 HA MET 5 -15.239 -34.498 -15.381 29 HB2 MET 5 HB2 MET 5 -16.139 -31.790 -14.350 30 HB3 MET 5 HB3 MET 5 -14.984 -32.025 -15.669 31 HG2 MET 5 HG2 MET 5 -16.678 -33.207 -16.987 32 HG3 MET 5 HG3 MET 5 -17.858 -33.032 -15.690 33 HE1 MET 5 HE1 MET 5 -18.802 -29.267 -15.742 34 HE2 MET 5 HE2 MET 5 -19.261 -30.890 -15.187 35 HE3 MET 5 HE3 MET 5 -17.757 -30.145 -14.610 36 HA PRO 6 HA PRO 6 -11.954 -34.257 -12.375 37 HB2 PRO 6 HB2 PRO 6 -9.779 -34.802 -13.888 38 HB3 PRO 6 HB3 PRO 6 -11.083 -36.004 -13.633 39 HG2 PRO 6 HG2 PRO 6 -10.708 -34.159 -16.002 40 HG3 PRO 6 HG3 PRO 6 -11.010 -35.924 -16.012 41 HD2 PRO 6 HD2 PRO 6 -13.011 -34.045 -16.305 42 HD3 PRO 6 HD3 PRO 6 -13.280 -35.632 -15.525 43 H GLY 7 H GLY 7 -10.282 -32.918 -11.630 44 HA2 GLY 7 HA2 GLY 7 -8.608 -31.320 -11.685 45 HA3 GLY 7 HA3 GLY 7 -8.968 -31.012 -13.376 46 H LEU 8 H LEU 8 -11.907 -30.489 -11.984 47 HA LEU 8 HA LEU 8 -11.586 -27.639 -12.309 48 HB2 LEU 8 HB2 LEU 8 -14.058 -29.210 -11.509 49 HB3 LEU 8 HB3 LEU 8 -14.014 -27.547 -12.095 50 HG LEU 8 HG LEU 8 -13.335 -30.048 -13.691 51 HD11 LEU 8 HD11 LEU 8 -15.735 -29.594 -13.303 52 HD12 LEU 8 HD12 LEU 8 -15.291 -29.403 -15.008 53 HD13 LEU 8 HD13 LEU 8 -15.540 -27.967 -13.991 54 HD21 LEU 8 HD21 LEU 8 -13.109 -28.516 -15.639 55 HD22 LEU 8 HD22 LEU 8 -11.843 -28.248 -14.455 56 HD23 LEU 8 HD23 LEU 8 -13.216 -27.116 -14.548 57 H VAL 9 H VAL 9 -10.093 -28.425 -10.049 58 HA VAL 9 HA VAL 9 -11.059 -26.583 -8.054 59 HB VAL 9 HB VAL 9 -10.454 -28.126 -6.172 60 HG11 VAL 9 HG11 VAL 9 -12.779 -27.530 -6.724 61 HG12 VAL 9 HG12 VAL 9 -12.905 -28.987 -7.742 62 HG13 VAL 9 HG13 VAL 9 -12.624 -29.138 -5.997 63 HG21 VAL 9 HG21 VAL 9 -9.303 -29.939 -7.405 64 HG22 VAL 9 HG22 VAL 9 -10.659 -30.548 -6.456 65 HG23 VAL 9 HG23 VAL 9 -10.831 -30.364 -8.210 66 H ASP 10 H ASP 10 -9.520 -25.574 -7.156 67 HA ASP 10 HA ASP 10 -6.694 -26.587 -7.125 68 HB2 ASP 10 HB2 ASP 10 -6.774 -24.583 -8.483 69 HB3 ASP 10 HB3 ASP 10 -7.656 -23.714 -7.222 70 H SER 11 H SER 11 -6.768 -27.668 -5.256 71 HA SER 11 HA SER 11 -8.326 -26.780 -2.972 72 HB2 SER 11 HB2 SER 11 -6.461 -29.163 -3.109 73 HB3 SER 11 HB3 SER 11 -7.872 -28.934 -2.065 74 HG SER 11 HG SER 11 -7.758 -29.344 -4.870 75 H ASN 12 H ASN 12 -5.432 -25.588 -3.820 76 HA ASN 12 HA ASN 12 -4.227 -25.623 -1.088 77 HB2 ASN 12 HB2 ASN 12 -2.821 -26.256 -3.695 78 HB3 ASN 12 HB3 ASN 12 -2.106 -26.309 -2.101 79 HD21 ASN 12 HD21 ASN 12 -3.603 -28.195 -4.476 80 HD22 ASN 12 HD22 ASN 12 -3.918 -29.612 -3.468 81 HA PRO 13 HA PRO 13 -2.650 -21.451 -2.008 82 HB2 PRO 13 HB2 PRO 13 -0.014 -22.526 -1.050 83 HB3 PRO 13 HB3 PRO 13 -0.850 -21.013 -0.572 84 HG2 PRO 13 HG2 PRO 13 -0.868 -23.135 1.087 85 HG3 PRO 13 HG3 PRO 13 -2.395 -22.229 0.803 86 HD2 PRO 13 HD2 PRO 13 -1.450 -24.792 -0.524 87 HD3 PRO 13 HD3 PRO 13 -3.035 -24.434 0.227 88 H ALA 14 H ALA 14 -0.695 -20.392 -3.156 89 HA ALA 14 HA ALA 14 -0.538 -21.492 -5.777 90 HB1 ALA 14 HB1 ALA 14 -0.735 -19.125 -5.391 91 HB2 ALA 14 HB2 ALA 14 0.785 -19.085 -4.467 92 HB3 ALA 14 HB3 ALA 14 0.803 -19.416 -6.209 93 HA PRO 15 HA PRO 15 3.429 -23.578 -6.058 94 HB2 PRO 15 HB2 PRO 15 3.914 -21.755 -8.425 95 HB3 PRO 15 HB3 PRO 15 4.178 -23.521 -8.302 96 HG2 PRO 15 HG2 PRO 15 1.985 -22.559 -9.559 97 HG3 PRO 15 HG3 PRO 15 1.823 -23.949 -8.436 98 HD2 PRO 15 HD2 PRO 15 1.224 -21.029 -7.918 99 HD3 PRO 15 HD3 PRO 15 0.280 -22.484 -7.474 100 HA PRO 16 HA PRO 16 6.178 -20.945 -3.928 101 HB2 PRO 16 HB2 PRO 16 8.666 -22.073 -4.289 102 HB3 PRO 16 HB3 PRO 16 7.371 -22.771 -3.270 103 HG2 PRO 16 HG2 PRO 16 8.052 -23.469 -6.145 104 HG3 PRO 16 HG3 PRO 16 7.768 -24.583 -4.770 105 HD2 PRO 16 HD2 PRO 16 5.809 -24.017 -6.556 106 HD3 PRO 16 HD3 PRO 16 5.434 -24.180 -4.812 107 H GLU 17 H GLU 17 6.882 -18.927 -4.319 108 HA GLU 17 HA GLU 17 8.809 -18.327 -6.438 109 HB2 GLU 17 HB2 GLU 17 6.754 -18.114 -7.716 110 HB3 GLU 17 HB3 GLU 17 6.021 -17.090 -6.475 111 HG2 GLU 17 HG2 GLU 17 7.680 -15.324 -6.906 112 HG3 GLU 17 HG3 GLU 17 8.546 -16.367 -8.020 113 H SER 18 H SER 18 10.178 -16.796 -5.800 114 HA SER 18 HA SER 18 9.629 -15.309 -3.286 115 HB2 SER 18 HB2 SER 18 11.668 -16.713 -3.524 116 HB3 SER 18 HB3 SER 18 12.239 -15.592 -4.780 117 HG SER 18 HG SER 18 12.995 -15.019 -2.669 118 H GLN 19 H GLN 19 9.307 -13.201 -3.209 119 HA GLN 19 HA GLN 19 8.923 -11.591 -5.542 120 HB2 GLN 19 HB2 GLN 19 9.292 -10.690 -2.656 121 HB3 GLN 19 HB3 GLN 19 8.603 -9.752 -3.978 122 HG2 GLN 19 HG2 GLN 19 6.688 -11.381 -4.089 123 HG3 GLN 19 HG3 GLN 19 7.379 -12.238 -2.701 124 HE21 GLN 19 HE21 GLN 19 5.911 -11.685 -0.958 125 HE22 GLN 19 HE22 GLN 19 5.591 -9.987 -0.579 126 H GLU 20 H GLU 20 10.156 -10.064 -6.546 127 HA GLU 20 HA GLU 20 12.859 -9.398 -5.523 128 HB2 GLU 20 HB2 GLU 20 11.834 -9.660 -8.097 129 HB3 GLU 20 HB3 GLU 20 11.902 -7.923 -7.885 130 HG2 GLU 20 HG2 GLU 20 14.222 -9.831 -7.368 131 HG3 GLU 20 HG3 GLU 20 13.963 -8.954 -8.873 132 H LYS 21 H LYS 21 13.090 -7.782 -4.114 133 HA LYS 21 HA LYS 21 11.026 -5.625 -3.906 134 HB2 LYS 21 HB2 LYS 21 10.646 -7.633 -2.416 135 HB3 LYS 21 HB3 LYS 21 12.157 -7.239 -1.588 136 HG2 LYS 21 HG2 LYS 21 11.212 -5.014 -0.970 137 HG3 LYS 21 HG3 LYS 21 9.708 -5.418 -1.805 138 HD2 LYS 21 HD2 LYS 21 10.887 -6.923 0.574 139 HD3 LYS 21 HD3 LYS 21 9.591 -5.739 0.680 140 HE2 LYS 21 HE2 LYS 21 9.403 -8.350 -0.900 141 HE3 LYS 21 HE3 LYS 21 8.865 -8.146 0.769 142 HZ1 LYS 21 HZ1 LYS 21 7.744 -6.610 -1.526 143 HZ2 LYS 21 HZ2 LYS 21 7.306 -6.476 0.055 144 HZ3 LYS 21 HZ3 LYS 21 7.011 -7.854 -0.767 145 H LYS 22 H LYS 22 11.758 -3.639 -3.449 146 HA LYS 22 HA LYS 22 14.616 -3.085 -3.768 147 HB2 LYS 22 HB2 LYS 22 12.262 -1.230 -3.230 148 HB3 LYS 22 HB3 LYS 22 13.857 -0.725 -3.742 149 HG2 LYS 22 HG2 LYS 22 11.820 -2.261 -5.400 150 HG3 LYS 22 HG3 LYS 22 12.330 -0.596 -5.571 151 HD2 LYS 22 HD2 LYS 22 13.459 -1.571 -7.299 152 HD3 LYS 22 HD3 LYS 22 14.709 -1.586 -6.049 153 HE2 LYS 22 HE2 LYS 22 14.192 -3.968 -5.573 154 HE3 LYS 22 HE3 LYS 22 12.850 -3.923 -6.728 155 HZ1 LYS 22 HZ1 LYS 22 14.850 -4.923 -7.654 156 HZ2 LYS 22 HZ2 LYS 22 15.704 -3.529 -7.462 157 HZ3 LYS 22 HZ3 LYS 22 14.427 -3.626 -8.514 158 HA PRO 23 HA PRO 23 15.854 -2.826 0.403 159 HB2 PRO 23 HB2 PRO 23 17.681 -0.767 0.483 160 HB3 PRO 23 HB3 PRO 23 17.974 -2.340 -0.325 161 HG2 PRO 23 HG2 PRO 23 17.015 0.251 -1.582 162 HG3 PRO 23 HG3 PRO 23 18.358 -0.810 -2.122 163 HD2 PRO 23 HD2 PRO 23 15.921 -0.993 -3.245 164 HD3 PRO 23 HD3 PRO 23 16.848 -2.476 -2.886 165 H LEU 24 H LEU 24 15.553 -1.803 2.421 166 HA LEU 24 HA LEU 24 14.449 0.850 2.668 167 HB2 LEU 24 HB2 LEU 24 12.253 0.226 3.573 168 HB3 LEU 24 HB3 LEU 24 12.456 -0.216 1.896 169 HG LEU 24 HG LEU 24 12.985 -2.631 2.778 170 HD11 LEU 24 HD11 LEU 24 13.120 -2.173 5.203 171 HD12 LEU 24 HD12 LEU 24 11.740 -3.199 4.857 172 HD13 LEU 24 HD13 LEU 24 11.496 -1.473 5.182 173 HD21 LEU 24 HD21 LEU 24 10.204 -1.415 2.990 174 HD22 LEU 24 HD22 LEU 24 10.574 -3.146 2.804 175 HD23 LEU 24 HD23 LEU 24 10.988 -2.017 1.509 176 H LYS 25 H LYS 25 14.029 1.462 4.891 177 HA LYS 25 HA LYS 25 15.412 -0.180 6.983 178 HB2 LYS 25 HB2 LYS 25 15.506 2.829 6.526 179 HB3 LYS 25 HB3 LYS 25 16.065 2.052 7.998 180 HG2 LYS 25 HG2 LYS 25 17.715 0.737 6.657 181 HG3 LYS 25 HG3 LYS 25 17.269 1.673 5.230 182 HD2 LYS 25 HD2 LYS 25 18.389 2.776 7.846 183 HD3 LYS 25 HD3 LYS 25 19.298 2.579 6.348 184 HE2 LYS 25 HE2 LYS 25 17.927 4.254 5.210 185 HE3 LYS 25 HE3 LYS 25 16.862 4.390 6.619 186 HZ1 LYS 25 HZ1 LYS 25 18.778 5.157 7.905 187 HZ2 LYS 25 HZ2 LYS 25 18.416 6.176 6.691 188 HZ3 LYS 25 HZ3 LYS 25 19.727 5.171 6.559 189 HA PRO 26 HA PRO 26 11.837 0.805 9.636 190 HB2 PRO 26 HB2 PRO 26 13.904 1.649 11.657 191 HB3 PRO 26 HB3 PRO 26 12.468 0.597 11.864 192 HG2 PRO 26 HG2 PRO 26 14.960 -0.478 11.697 193 HG3 PRO 26 HG3 PRO 26 13.581 -1.252 10.860 194 HD2 PRO 26 HD2 PRO 26 15.689 0.583 9.705 195 HD3 PRO 26 HD3 PRO 26 15.041 -0.949 9.042 196 H CYS 27 H CYS 27 10.681 2.663 9.969 197 HA CYS 27 HA CYS 27 11.979 5.322 9.728 198 HB2 CYS 27 HB2 CYS 27 10.741 5.885 7.724 199 HB3 CYS 27 HB3 CYS 27 11.613 4.372 7.428 200 HG CYS 27 HG CYS 27 9.343 4.117 6.257 201 H CYS 28 H CYS 28 10.131 3.744 11.667 202 HA CYS 28 HA CYS 28 8.484 4.109 13.128 203 HB2 CYS 28 HB2 CYS 28 8.830 7.042 12.444 204 HB3 CYS 28 HB3 CYS 28 7.927 6.397 13.823 205 HG CYS 28 HG CYS 28 10.328 7.393 14.479 206 H ALA 29 H ALA 29 7.740 3.249 10.629 207 HA ALA 29 HA ALA 29 4.866 3.746 10.716 208 HB1 ALA 29 HB1 ALA 29 6.404 4.115 8.111 209 HB2 ALA 29 HB2 ALA 29 4.644 4.221 8.325 210 HB3 ALA 29 HB3 ALA 29 5.693 5.427 9.071 211 H SER 30 H SER 30 4.310 2.191 8.326 212 HA SER 30 HA SER 30 5.689 -0.423 8.833 213 HB2 SER 30 HB2 SER 30 2.988 0.117 7.590 214 HB3 SER 30 HB3 SER 30 3.870 -1.412 7.442 215 HG SER 30 HG SER 30 2.708 -1.780 9.152 216 HA PRO 31 HA PRO 31 7.481 1.464 4.957 217 HB2 PRO 31 HB2 PRO 31 9.944 0.232 5.111 218 HB3 PRO 31 HB3 PRO 31 9.543 1.767 5.911 219 HG2 PRO 31 HG2 PRO 31 9.505 -1.021 7.112 220 HG3 PRO 31 HG3 PRO 31 10.228 0.471 7.799 221 HD2 PRO 31 HD2 PRO 31 7.801 -0.369 8.594 222 HD3 PRO 31 HD3 PRO 31 8.099 1.370 8.324 223 H GLU 32 H GLU 32 7.312 -1.983 6.030 224 HA GLU 32 HA GLU 32 7.927 -3.046 3.407 225 HB2 GLU 32 HB2 GLU 32 6.403 -4.315 5.720 226 HB3 GLU 32 HB3 GLU 32 6.938 -5.149 4.260 227 HG2 GLU 32 HG2 GLU 32 9.300 -4.491 4.788 228 HG3 GLU 32 HG3 GLU 32 8.743 -3.856 6.339 229 H THR 33 H THR 33 4.772 -2.295 5.024 230 HA THR 33 HA THR 33 3.282 -3.167 2.685 231 HB THR 33 HB THR 33 1.301 -2.183 3.692 232 HG1 THR 33 HG1 THR 33 1.571 -1.369 5.862 233 HG21 THR 33 HG21 THR 33 2.061 -4.422 4.476 234 HG22 THR 33 HG22 THR 33 1.161 -3.526 5.708 235 HG23 THR 33 HG23 THR 33 2.932 -3.638 5.813 236 H LYS 34 H LYS 34 4.501 -0.005 3.827 237 HA LYS 34 HA LYS 34 3.433 1.552 1.673 238 HB2 LYS 34 HB2 LYS 34 4.326 2.787 3.459 239 HB3 LYS 34 HB3 LYS 34 5.867 1.909 3.442 240 HG2 LYS 34 HG2 LYS 34 6.568 2.903 1.440 241 HG3 LYS 34 HG3 LYS 34 4.959 3.531 1.049 242 HD2 LYS 34 HD2 LYS 34 5.172 5.261 2.695 243 HD3 LYS 34 HD3 LYS 34 6.644 4.533 3.364 244 HE2 LYS 34 HE2 LYS 34 7.107 6.487 1.892 245 HE3 LYS 34 HE3 LYS 34 7.905 5.002 1.361 246 HZ1 LYS 34 HZ1 LYS 34 5.338 5.931 0.196 247 HZ2 LYS 34 HZ2 LYS 34 6.331 4.775 -0.407 248 HZ3 LYS 34 HZ3 LYS 34 6.799 6.335 -0.453 249 H LYS 35 H LYS 35 6.649 -0.158 1.761 250 HA LYS 35 HA LYS 35 7.179 0.651 -0.960 251 HB2 LYS 35 HB2 LYS 35 8.642 -0.895 1.098 252 HB3 LYS 35 HB3 LYS 35 8.920 -1.451 -0.539 253 HG2 LYS 35 HG2 LYS 35 10.590 0.204 -0.022 254 HG3 LYS 35 HG3 LYS 35 9.504 0.807 -1.275 255 HD2 LYS 35 HD2 LYS 35 8.272 2.083 0.554 256 HD3 LYS 35 HD3 LYS 35 9.547 1.600 1.667 257 HE2 LYS 35 HE2 LYS 35 9.970 3.842 0.915 258 HE3 LYS 35 HE3 LYS 35 11.199 2.803 0.197 259 HZ1 LYS 35 HZ1 LYS 35 10.106 2.927 -1.887 260 HZ2 LYS 35 HZ2 LYS 35 10.062 4.478 -1.335 261 HZ3 LYS 35 HZ3 LYS 35 8.713 3.539 -1.256 262 H ALA 36 H ALA 36 5.642 -2.302 0.284 263 HA ALA 36 HA ALA 36 5.489 -3.586 -2.304 264 HB1 ALA 36 HB1 ALA 36 3.570 -4.807 -1.257 265 HB2 ALA 36 HB2 ALA 36 5.058 -4.862 -0.315 266 HB3 ALA 36 HB3 ALA 36 3.739 -3.774 0.184 267 H ARG 37 H ARG 37 3.259 -1.265 -0.641 268 HA ARG 37 HA ARG 37 1.391 -1.071 -2.801 269 HB2 ARG 37 HB2 ARG 37 0.931 -0.293 -0.530 270 HB3 ARG 37 HB3 ARG 37 2.166 0.962 -0.676 271 HG2 ARG 37 HG2 ARG 37 0.878 2.041 -2.485 272 HG3 ARG 37 HG3 ARG 37 -0.358 0.763 -2.378 273 HD2 ARG 37 HD2 ARG 37 -0.888 1.400 -0.097 274 HD3 ARG 37 HD3 ARG 37 0.460 2.547 -0.046 275 HE ARG 37 HE ARG 37 -2.166 2.903 -1.271 276 HH11 ARG 37 HH11 ARG 37 1.174 4.146 -1.174 277 HH12 ARG 37 HH12 ARG 37 0.726 5.697 -1.849 278 HH21 ARG 37 HH21 ARG 37 -2.707 4.935 -2.111 279 HH22 ARG 37 HH22 ARG 37 -1.466 6.142 -2.378 280 H ASP 38 H ASP 38 4.406 0.786 -2.151 281 HA ASP 38 HA ASP 38 4.263 2.592 -4.326 282 HB2 ASP 38 HB2 ASP 38 6.698 1.349 -2.967 283 HB3 ASP 38 HB3 ASP 38 6.784 2.628 -4.154 284 H ALA 39 H ALA 39 5.765 -0.675 -4.132 285 HA ALA 39 HA ALA 39 6.602 -0.824 -6.844 286 HB1 ALA 39 HB1 ALA 39 7.487 -2.256 -5.055 287 HB2 ALA 39 HB2 ALA 39 5.895 -3.023 -4.849 288 HB3 ALA 39 HB3 ALA 39 6.799 -3.236 -6.359 289 H CYS 40 H CYS 40 3.529 -1.955 -5.304 290 HA CYS 40 HA CYS 40 2.405 -3.034 -7.682 291 HB2 CYS 40 HB2 CYS 40 1.685 -3.359 -5.294 292 HB3 CYS 40 HB3 CYS 40 0.912 -1.774 -5.352 293 H ILE 41 H ILE 41 2.254 0.305 -6.350 294 HA ILE 41 HA ILE 41 0.666 1.357 -8.520 295 HB ILE 41 HB ILE 41 2.215 2.534 -6.224 296 HG12 ILE 41 HG12 ILE 41 0.019 3.660 -5.825 297 HG13 ILE 41 HG13 ILE 41 -0.603 2.941 -7.305 298 HG21 ILE 41 HG21 ILE 41 1.086 4.195 -8.517 299 HG22 ILE 41 HG22 ILE 41 1.650 4.825 -6.960 300 HG23 ILE 41 HG23 ILE 41 2.809 4.082 -8.059 301 HD11 ILE 41 HD11 ILE 41 -0.466 0.690 -6.246 302 HD12 ILE 41 HD12 ILE 41 0.094 1.478 -4.746 303 HD13 ILE 41 HD13 ILE 41 -1.513 1.818 -5.375 304 H ILE 42 H ILE 42 4.207 0.935 -8.148 305 HA ILE 42 HA ILE 42 4.770 2.169 -10.738 306 HB ILE 42 HB ILE 42 6.330 0.249 -8.998 307 HG12 ILE 42 HG12 ILE 42 6.122 2.575 -8.189 308 HG13 ILE 42 HG13 ILE 42 7.772 2.103 -8.528 309 HG21 ILE 42 HG21 ILE 42 7.199 1.391 -11.677 310 HG22 ILE 42 HG22 ILE 42 8.314 0.725 -10.465 311 HG23 ILE 42 HG23 ILE 42 7.096 -0.316 -11.200 312 HD11 ILE 42 HD11 ILE 42 7.726 3.433 -10.628 313 HD12 ILE 42 HD12 ILE 42 6.039 3.896 -10.289 314 HD13 ILE 42 HD13 ILE 42 7.339 4.408 -9.205 315 H GLU 43 H GLU 43 4.036 -1.240 -9.857 316 HA GLU 43 HA GLU 43 4.445 -2.270 -12.515 317 HB2 GLU 43 HB2 GLU 43 2.883 -3.281 -10.122 318 HB3 GLU 43 HB3 GLU 43 2.937 -4.130 -11.671 319 HG2 GLU 43 HG2 GLU 43 5.352 -4.416 -11.497 320 HG3 GLU 43 HG3 GLU 43 5.370 -3.559 -9.952 321 H LYS 44 H LYS 44 1.437 -1.392 -10.807 322 HA LYS 44 HA LYS 44 -0.139 -1.703 -13.350 323 HB2 LYS 44 HB2 LYS 44 -1.093 -2.509 -10.607 324 HB3 LYS 44 HB3 LYS 44 -1.744 -2.953 -12.193 325 HG2 LYS 44 HG2 LYS 44 0.383 -4.301 -12.590 326 HG3 LYS 44 HG3 LYS 44 0.768 -4.015 -10.875 327 HD2 LYS 44 HD2 LYS 44 -1.380 -5.087 -10.219 328 HD3 LYS 44 HD3 LYS 44 -1.723 -5.398 -11.924 329 HE2 LYS 44 HE2 LYS 44 -0.898 -7.428 -11.004 330 HE3 LYS 44 HE3 LYS 44 0.372 -6.799 -12.059 331 HZ1 LYS 44 HZ1 LYS 44 0.352 -6.373 -9.115 332 HZ2 LYS 44 HZ2 LYS 44 1.657 -6.186 -10.148 333 HZ3 LYS 44 HZ3 LYS 44 1.085 -7.643 -9.780 334 H GLY 45 H GLY 45 0.399 0.379 -10.652 335 HA2 GLY 45 HA2 GLY 45 -0.516 2.534 -10.326 336 HA3 GLY 45 HA3 GLY 45 -1.756 2.173 -11.526 337 H GLU 46 H GLU 46 -2.396 3.512 -9.158 338 HA GLU 46 HA GLU 46 -3.242 1.949 -6.967 339 HB2 GLU 46 HB2 GLU 46 -4.440 4.475 -8.168 340 HB3 GLU 46 HB3 GLU 46 -4.973 3.795 -6.634 341 HG2 GLU 46 HG2 GLU 46 -2.856 4.195 -5.579 342 HG3 GLU 46 HG3 GLU 46 -2.088 4.606 -7.119 343 H GLU 47 H GLU 47 -4.864 2.653 -9.969 344 HA GLU 47 HA GLU 47 -7.435 1.559 -9.677 345 HB2 GLU 47 HB2 GLU 47 -7.409 1.623 -12.139 346 HB3 GLU 47 HB3 GLU 47 -6.729 3.075 -11.416 347 HG2 GLU 47 HG2 GLU 47 -4.392 1.932 -11.799 348 HG3 GLU 47 HG3 GLU 47 -5.280 0.834 -12.856 349 H HIS 48 H HIS 48 -4.596 -0.287 -9.511 350 HA HIS 48 HA HIS 48 -6.206 -2.783 -9.892 351 HB2 HIS 48 HB2 HIS 48 -3.375 -2.202 -10.772 352 HB3 HIS 48 HB3 HIS 48 -4.073 -3.819 -10.769 353 HD1 HIS 48 HD1 HIS 48 -3.468 -1.145 -13.117 354 HD2 HIS 48 HD2 HIS 48 -6.561 -3.897 -12.356 355 HE1 HIS 48 HE1 HIS 48 -4.762 -1.399 -15.302 356 H CYS 49 H CYS 49 -4.812 -0.971 -7.566 357 HA CYS 49 HA CYS 49 -3.572 -3.241 -6.066 358 HB2 CYS 49 HB2 CYS 49 -2.733 -0.348 -6.309 359 HB3 CYS 49 HB3 CYS 49 -1.992 -1.508 -5.200 360 H GLY 50 H GLY 50 -6.336 -2.564 -5.742 361 HA2 GLY 50 HA2 GLY 50 -6.901 -0.630 -3.739 362 HA3 GLY 50 HA3 GLY 50 -7.940 -1.971 -4.229 363 H HIS 51 H HIS 51 -6.116 -4.108 -3.408 364 HA HIS 51 HA HIS 51 -6.892 -4.262 -0.616 365 HB2 HIS 51 HB2 HIS 51 -5.038 -6.094 -2.190 366 HB3 HIS 51 HB3 HIS 51 -5.751 -6.429 -0.621 367 HD1 HIS 51 HD1 HIS 51 -8.266 -7.339 -0.622 368 HD2 HIS 51 HD2 HIS 51 -6.724 -6.151 -4.353 369 HE1 HIS 51 HE1 HIS 51 -9.917 -8.174 -2.367 370 H LEU 52 H LEU 52 -3.755 -3.722 -2.285 371 HA LEU 52 HA LEU 52 -2.230 -3.474 0.144 372 HB2 LEU 52 HB2 LEU 52 -1.816 -3.097 -2.767 373 HB3 LEU 52 HB3 LEU 52 -0.944 -1.923 -1.817 374 HG LEU 52 HG LEU 52 0.452 -3.840 -2.332 375 HD11 LEU 52 HD11 LEU 52 1.349 -4.283 -0.136 376 HD12 LEU 52 HD12 LEU 52 -0.159 -3.803 0.655 377 HD13 LEU 52 HD13 LEU 52 0.817 -2.596 -0.200 378 HD21 LEU 52 HD21 LEU 52 0.077 -6.052 -1.374 379 HD22 LEU 52 HD22 LEU 52 -1.276 -5.601 -2.415 380 HD23 LEU 52 HD23 LEU 52 -1.458 -5.526 -0.651 381 H ILE 53 H ILE 53 -3.977 -1.063 -1.815 382 HA ILE 53 HA ILE 53 -3.224 1.265 -0.317 383 HB ILE 53 HB ILE 53 -5.643 0.522 -1.958 384 HG12 ILE 53 HG12 ILE 53 -3.496 2.628 -2.478 385 HG13 ILE 53 HG13 ILE 53 -3.270 0.942 -2.936 386 HG21 ILE 53 HG21 ILE 53 -6.497 2.154 -0.336 387 HG22 ILE 53 HG22 ILE 53 -5.133 3.244 -0.683 388 HG23 ILE 53 HG23 ILE 53 -6.353 2.899 -1.912 389 HD11 ILE 53 HD11 ILE 53 -4.086 2.067 -4.853 390 HD12 ILE 53 HD12 ILE 53 -5.403 1.044 -4.241 391 HD13 ILE 53 HD13 ILE 53 -5.430 2.803 -3.959 392 H GLU 54 H GLU 54 -5.886 -1.070 0.139 393 HA GLU 54 HA GLU 54 -6.925 0.072 2.546 394 HB2 GLU 54 HB2 GLU 54 -8.164 -1.567 1.219 395 HB3 GLU 54 HB3 GLU 54 -7.029 -2.829 1.716 396 HG2 GLU 54 HG2 GLU 54 -7.623 -2.349 4.122 397 HG3 GLU 54 HG3 GLU 54 -8.808 -1.165 3.565 398 H ALA 55 H ALA 55 -4.468 -2.523 2.121 399 HA ALA 55 HA ALA 55 -4.056 -3.046 4.898 400 HB1 ALA 55 HB1 ALA 55 -2.167 -3.409 2.526 401 HB2 ALA 55 HB2 ALA 55 -2.026 -4.208 4.109 402 HB3 ALA 55 HB3 ALA 55 -3.404 -4.567 3.054 403 H HIS 56 H HIS 56 -2.456 -0.747 2.695 404 HA HIS 56 HA HIS 56 -0.525 0.263 4.568 405 HB2 HIS 56 HB2 HIS 56 -0.300 0.453 2.163 406 HB3 HIS 56 HB3 HIS 56 -1.792 1.383 2.055 407 HD1 HIS 56 HD1 HIS 56 -1.459 3.907 1.955 408 HD2 HIS 56 HD2 HIS 56 1.807 1.799 3.564 409 HE1 HIS 56 HE1 HIS 56 0.436 5.610 2.231 410 H LYS 57 H LYS 57 -3.863 1.491 3.689 411 HA LYS 57 HA LYS 57 -3.654 3.637 5.632 412 HB2 LYS 57 HB2 LYS 57 -5.879 4.194 5.127 413 HB3 LYS 57 HB3 LYS 57 -5.120 3.650 3.630 414 HG2 LYS 57 HG2 LYS 57 -6.211 1.512 3.781 415 HG3 LYS 57 HG3 LYS 57 -6.918 1.884 5.351 416 HD2 LYS 57 HD2 LYS 57 -8.581 2.055 3.597 417 HD3 LYS 57 HD3 LYS 57 -8.305 3.621 4.378 418 HE2 LYS 57 HE2 LYS 57 -6.980 4.406 2.507 419 HE3 LYS 57 HE3 LYS 57 -6.961 2.797 1.768 420 HZ1 LYS 57 HZ1 LYS 57 -9.223 2.964 1.256 421 HZ2 LYS 57 HZ2 LYS 57 -8.583 4.425 0.842 422 HZ3 LYS 57 HZ3 LYS 57 -9.469 4.285 2.235 423 H GLU 58 H GLU 58 -4.910 0.346 5.924 424 HA GLU 58 HA GLU 58 -5.859 0.649 8.651 425 HB2 GLU 58 HB2 GLU 58 -5.036 -1.756 6.984 426 HB3 GLU 58 HB3 GLU 58 -5.441 -1.896 8.694 427 HG2 GLU 58 HG2 GLU 58 -7.640 -0.761 8.237 428 HG3 GLU 58 HG3 GLU 58 -7.262 -0.791 6.523 429 H SER 59 H SER 59 -2.689 -0.421 7.341 430 HA SER 59 HA SER 59 -1.298 -0.735 9.805 431 HB2 SER 59 HB2 SER 59 -0.226 0.465 7.209 432 HB3 SER 59 HB3 SER 59 0.739 -0.096 8.573 433 HG SER 59 HG SER 59 -1.003 -1.693 6.977 434 H MET 60 H MET 60 -1.814 2.250 7.828 435 HA MET 60 HA MET 60 -0.485 3.893 9.753 436 HB2 MET 60 HB2 MET 60 -1.328 4.181 7.082 437 HB3 MET 60 HB3 MET 60 -2.255 5.379 7.962 438 HG2 MET 60 HG2 MET 60 -0.125 6.337 7.241 439 HG3 MET 60 HG3 MET 60 -0.152 6.212 8.999 440 HE1 MET 60 HE1 MET 60 0.678 3.505 6.101 441 HE2 MET 60 HE2 MET 60 1.393 5.072 5.659 442 HE3 MET 60 HE3 MET 60 2.445 3.707 6.085 443 H ARG 61 H ARG 61 -3.962 3.115 9.436 444 HA ARG 61 HA ARG 61 -4.905 4.871 11.485 445 HB2 ARG 61 HB2 ARG 61 -6.361 3.572 10.055 446 HB3 ARG 61 HB3 ARG 61 -5.765 2.045 10.705 447 HG2 ARG 61 HG2 ARG 61 -6.972 4.081 12.576 448 HG3 ARG 61 HG3 ARG 61 -8.033 3.128 11.526 449 HD2 ARG 61 HD2 ARG 61 -7.213 1.043 12.477 450 HD3 ARG 61 HD3 ARG 61 -6.073 1.903 13.512 451 HE ARG 61 HE ARG 61 -8.940 1.595 13.888 452 HH11 ARG 61 HH11 ARG 61 -6.131 3.603 14.800 453 HH12 ARG 61 HH12 ARG 61 -6.910 4.211 16.244 454 HH21 ARG 61 HH21 ARG 61 -9.898 2.411 15.771 455 HH22 ARG 61 HH22 ARG 61 -9.030 3.539 16.790 456 H ALA 62 H ALA 62 -3.368 1.669 11.670 457 HA ALA 62 HA ALA 62 -3.305 1.623 14.565 458 HB1 ALA 62 HB1 ALA 62 -1.853 -0.054 12.494 459 HB2 ALA 62 HB2 ALA 62 -1.907 -0.384 14.237 460 HB3 ALA 62 HB3 ALA 62 -3.403 -0.416 13.281 461 H LEU 63 H LEU 63 -1.090 3.214 12.308 462 HA LEU 63 HA LEU 63 0.976 3.577 14.381 463 HB2 LEU 63 HB2 LEU 63 0.488 4.775 11.631 464 HB3 LEU 63 HB3 LEU 63 1.557 5.567 12.752 465 HG LEU 63 HG LEU 63 2.889 4.344 11.295 466 HD11 LEU 63 HD11 LEU 63 2.873 2.685 13.848 467 HD12 LEU 63 HD12 LEU 63 3.537 4.331 13.733 468 HD13 LEU 63 HD13 LEU 63 4.236 3.012 12.777 469 HD21 LEU 63 HD21 LEU 63 1.348 2.705 10.483 470 HD22 LEU 63 HD22 LEU 63 1.306 1.893 12.064 471 HD23 LEU 63 HD23 LEU 63 2.797 1.874 11.087 472 H GLY 64 H GLY 64 -2.095 4.985 13.760 473 HA2 GLY 64 HA2 GLY 64 -3.266 6.378 15.169 474 HA3 GLY 64 HA3 GLY 64 -1.803 6.696 16.099 475 H PHE 65 H PHE 65 -0.633 7.515 13.168 476 HA PHE 65 HA PHE 65 -1.383 10.345 13.599 477 HB2 PHE 65 HB2 PHE 65 0.478 10.949 12.237 478 HB3 PHE 65 HB3 PHE 65 0.939 9.868 13.530 479 HD1 PHE 65 HD1 PHE 65 0.119 9.851 9.824 480 HD2 PHE 65 HD2 PHE 65 2.394 8.107 13.046 481 HE1 PHE 65 HE1 PHE 65 1.376 8.473 8.201 482 HE2 PHE 65 HE2 PHE 65 3.657 6.738 11.410 483 HZ PHE 65 HZ PHE 65 3.151 6.920 8.982 484 H LYS 66 H LYS 66 -2.692 7.987 11.624 485 HA LYS 66 HA LYS 66 -3.060 9.609 9.216 486 HB2 LYS 66 HB2 LYS 66 -2.788 7.312 8.905 487 HB3 LYS 66 HB3 LYS 66 -3.968 6.865 10.123 488 HG2 LYS 66 HG2 LYS 66 -4.771 6.441 7.828 489 HG3 LYS 66 HG3 LYS 66 -5.801 7.550 8.712 490 HD2 LYS 66 HD2 LYS 66 -4.652 9.476 7.470 491 HD3 LYS 66 HD3 LYS 66 -3.766 8.265 6.539 492 HE2 LYS 66 HE2 LYS 66 -5.870 7.404 5.608 493 HE3 LYS 66 HE3 LYS 66 -6.812 8.449 6.681 494 HZ1 LYS 66 HZ1 LYS 66 -4.973 9.438 4.568 495 HZ2 LYS 66 HZ2 LYS 66 -5.895 10.375 5.571 496 HZ3 LYS 66 HZ3 LYS 66 -6.634 9.455 4.484 497 H ILE 67 H ILE 67 -5.395 8.325 11.579 498 HA ILE 67 HA ILE 67 -7.276 10.568 10.950 499 HB ILE 67 HB ILE 67 -9.055 8.976 11.834 500 HG12 ILE 67 HG12 ILE 67 -6.962 6.863 11.112 501 HG13 ILE 67 HG13 ILE 67 -7.551 7.233 12.752 502 HG21 ILE 67 HG21 ILE 67 -8.757 9.733 9.472 503 HG22 ILE 67 HG22 ILE 67 -7.739 8.326 9.163 504 HG23 ILE 67 HG23 ILE 67 -9.441 8.115 9.589 505 HD11 ILE 67 HD11 ILE 67 -8.740 5.315 12.088 506 HD12 ILE 67 HD12 ILE 67 -9.894 6.639 11.915 507 HD13 ILE 67 HD13 ILE 67 -9.082 5.952 10.477 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 20.151 57.061 -20.812 2 H2 GLY 1 H2 GLY 1 21.041 56.909 -22.195 3 H3 GLY 1 H3 GLY 1 21.777 57.345 -20.791 4 HA2 GLY 1 HA2 GLY 1 22.284 55.080 -21.249 5 HA3 GLY 1 HA3 GLY 1 21.286 55.220 -19.794 6 H SER 2 H SER 2 20.752 52.949 -20.231 7 HA SER 2 HA SER 2 18.815 52.376 -22.395 8 HB2 SER 2 HB2 SER 2 19.761 50.793 -19.980 9 HB3 SER 2 HB3 SER 2 18.473 50.242 -21.068 10 HG SER 2 HG SER 2 19.878 49.665 -22.455 11 H PHE 3 H PHE 3 16.680 52.701 -22.283 12 HA PHE 3 HA PHE 3 15.549 54.001 -19.897 13 HB2 PHE 3 HB2 PHE 3 14.210 53.608 -22.559 14 HB3 PHE 3 HB3 PHE 3 13.837 54.800 -21.329 15 HD1 PHE 3 HD1 PHE 3 15.721 56.590 -20.837 16 HD2 PHE 3 HD2 PHE 3 15.536 54.154 -24.386 17 HE1 PHE 3 HE1 PHE 3 17.231 58.178 -22.008 18 HE2 PHE 3 HE2 PHE 3 16.981 55.768 -25.571 19 HZ PHE 3 HZ PHE 3 17.884 57.759 -24.372 20 H THR 4 H THR 4 15.710 50.816 -20.832 21 HA THR 4 HA THR 4 13.567 50.210 -18.888 22 HB THR 4 HB THR 4 13.109 48.043 -20.078 23 HG1 THR 4 HG1 THR 4 13.422 48.584 -22.510 24 HG21 THR 4 HG21 THR 4 11.491 49.886 -20.109 25 HG22 THR 4 HG22 THR 4 11.472 48.974 -21.624 26 HG23 THR 4 HG23 THR 4 12.267 50.564 -21.552 27 H MET 5 H MET 5 13.984 48.551 -17.479 28 HA MET 5 HA MET 5 16.768 47.705 -17.156 29 HB2 MET 5 HB2 MET 5 16.104 46.743 -15.114 30 HB3 MET 5 HB3 MET 5 15.192 48.231 -15.252 31 HG2 MET 5 HG2 MET 5 13.208 46.872 -16.008 32 HG3 MET 5 HG3 MET 5 14.170 45.413 -15.783 33 HE1 MET 5 HE1 MET 5 12.104 48.254 -14.159 34 HE2 MET 5 HE2 MET 5 12.476 48.121 -12.429 35 HE3 MET 5 HE3 MET 5 13.702 48.745 -13.549 36 HA PRO 6 HA PRO 6 16.630 44.202 -19.713 37 HB2 PRO 6 HB2 PRO 6 18.112 42.245 -18.424 38 HB3 PRO 6 HB3 PRO 6 18.786 43.710 -19.194 39 HG2 PRO 6 HG2 PRO 6 18.125 43.299 -16.279 40 HG3 PRO 6 HG3 PRO 6 19.625 43.971 -16.988 41 HD2 PRO 6 HD2 PRO 6 17.661 45.553 -16.019 42 HD3 PRO 6 HD3 PRO 6 18.549 46.015 -17.494 43 H GLY 7 H GLY 7 15.938 41.996 -20.083 44 HA2 GLY 7 HA2 GLY 7 14.795 39.970 -19.155 45 HA3 GLY 7 HA3 GLY 7 13.764 41.057 -18.239 46 H LEU 8 H LEU 8 14.431 42.225 -21.392 47 HA LEU 8 HA LEU 8 11.648 41.824 -22.234 48 HB2 LEU 8 HB2 LEU 8 13.986 43.314 -23.463 49 HB3 LEU 8 HB3 LEU 8 12.441 43.113 -24.264 50 HG LEU 8 HG LEU 8 12.456 45.249 -23.359 51 HD11 LEU 8 HD11 LEU 8 10.517 45.339 -21.972 52 HD12 LEU 8 HD12 LEU 8 10.747 43.677 -21.406 53 HD13 LEU 8 HD13 LEU 8 10.316 43.996 -23.105 54 HD21 LEU 8 HD21 LEU 8 14.221 44.943 -21.629 55 HD22 LEU 8 HD22 LEU 8 13.001 44.200 -20.564 56 HD23 LEU 8 HD23 LEU 8 12.826 45.882 -21.086 57 H VAL 9 H VAL 9 11.770 39.525 -22.182 58 HA VAL 9 HA VAL 9 12.258 38.244 -24.730 59 HB VAL 9 HB VAL 9 13.180 36.225 -23.496 60 HG11 VAL 9 HG11 VAL 9 15.512 36.933 -23.621 61 HG12 VAL 9 HG12 VAL 9 14.599 37.667 -24.948 62 HG13 VAL 9 HG13 VAL 9 15.042 38.644 -23.535 63 HG21 VAL 9 HG21 VAL 9 14.426 36.499 -21.437 64 HG22 VAL 9 HG22 VAL 9 13.961 38.206 -21.316 65 HG23 VAL 9 HG23 VAL 9 12.737 36.927 -21.155 66 H ASP 10 H ASP 10 11.073 36.364 -24.807 67 HA ASP 10 HA ASP 10 9.165 35.783 -22.586 68 HB2 ASP 10 HB2 ASP 10 7.527 34.905 -24.058 69 HB3 ASP 10 HB3 ASP 10 7.901 36.568 -24.479 70 H SER 11 H SER 11 9.070 33.915 -21.746 71 HA SER 11 HA SER 11 9.627 31.892 -20.981 72 HB2 SER 11 HB2 SER 11 8.734 31.259 -23.291 73 HB3 SER 11 HB3 SER 11 10.425 31.006 -23.755 74 HG SER 11 HG SER 11 9.346 29.130 -23.002 75 H ASN 12 H ASN 12 11.446 30.107 -21.101 76 HA ASN 12 HA ASN 12 14.120 31.384 -21.175 77 HB2 ASN 12 HB2 ASN 12 14.785 30.181 -19.155 78 HB3 ASN 12 HB3 ASN 12 13.522 31.367 -18.860 79 HD21 ASN 12 HD21 ASN 12 11.359 30.609 -18.291 80 HD22 ASN 12 HD22 ASN 12 11.132 28.945 -17.769 81 HA PRO 13 HA PRO 13 14.528 28.179 -24.115 82 HB2 PRO 13 HB2 PRO 13 17.495 28.315 -23.580 83 HB3 PRO 13 HB3 PRO 13 16.629 28.296 -25.149 84 HG2 PRO 13 HG2 PRO 13 17.544 30.631 -24.133 85 HG3 PRO 13 HG3 PRO 13 15.898 30.554 -24.849 86 HD2 PRO 13 HD2 PRO 13 16.682 30.464 -21.924 87 HD3 PRO 13 HD3 PRO 13 15.383 31.382 -22.745 88 H ALA 14 H ALA 14 14.588 26.039 -24.285 89 HA ALA 14 HA ALA 14 14.562 23.899 -23.836 90 HB1 ALA 14 HB1 ALA 14 16.989 24.130 -23.924 91 HB2 ALA 14 HB2 ALA 14 17.043 24.340 -22.156 92 HB3 ALA 14 HB3 ALA 14 16.487 22.810 -22.860 93 HA PRO 15 HA PRO 15 12.063 23.229 -20.347 94 HB2 PRO 15 HB2 PRO 15 11.863 20.490 -20.209 95 HB3 PRO 15 HB3 PRO 15 11.131 21.484 -21.504 96 HG2 PRO 15 HG2 PRO 15 13.759 19.989 -21.589 97 HG3 PRO 15 HG3 PRO 15 12.443 19.998 -22.804 98 HD2 PRO 15 HD2 PRO 15 14.631 21.586 -23.047 99 HD3 PRO 15 HD3 PRO 15 13.015 22.157 -23.544 100 HA PRO 16 HA PRO 16 14.585 22.183 -16.678 101 HB2 PRO 16 HB2 PRO 16 12.636 21.735 -14.817 102 HB3 PRO 16 HB3 PRO 16 13.047 23.360 -15.429 103 HG2 PRO 16 HG2 PRO 16 10.782 21.559 -16.311 104 HG3 PRO 16 HG3 PRO 16 10.724 23.303 -15.925 105 HD2 PRO 16 HD2 PRO 16 10.921 22.321 -18.483 106 HD3 PRO 16 HD3 PRO 16 11.653 23.875 -17.991 107 H GLU 17 H GLU 17 14.631 20.286 -14.979 108 HA GLU 17 HA GLU 17 13.641 17.709 -16.019 109 HB2 GLU 17 HB2 GLU 17 15.761 16.687 -16.339 110 HB3 GLU 17 HB3 GLU 17 15.784 18.176 -17.270 111 HG2 GLU 17 HG2 GLU 17 17.065 19.270 -15.380 112 HG3 GLU 17 HG3 GLU 17 17.127 17.699 -14.567 113 H SER 18 H SER 18 14.707 15.867 -14.533 114 HA SER 18 HA SER 18 15.754 16.846 -11.984 115 HB2 SER 18 HB2 SER 18 14.383 15.417 -10.574 116 HB3 SER 18 HB3 SER 18 13.398 16.597 -11.449 117 HG SER 18 HG SER 18 12.365 14.689 -11.586 118 H GLN 19 H GLN 19 17.217 15.423 -11.036 119 HA GLN 19 HA GLN 19 17.636 12.767 -12.209 120 HB2 GLN 19 HB2 GLN 19 19.922 13.237 -12.974 121 HB3 GLN 19 HB3 GLN 19 18.713 14.159 -13.858 122 HG2 GLN 19 HG2 GLN 19 19.295 16.208 -12.778 123 HG3 GLN 19 HG3 GLN 19 20.213 15.381 -11.520 124 HE21 GLN 19 HE21 GLN 19 20.239 16.211 -15.035 125 HE22 GLN 19 HE22 GLN 19 21.975 15.945 -15.181 126 H GLU 20 H GLU 20 18.056 14.804 -9.535 127 HA GLU 20 HA GLU 20 20.523 13.685 -8.571 128 HB2 GLU 20 HB2 GLU 20 19.639 16.051 -8.340 129 HB3 GLU 20 HB3 GLU 20 18.590 15.459 -7.046 130 HG2 GLU 20 HG2 GLU 20 20.612 14.759 -5.776 131 HG3 GLU 20 HG3 GLU 20 21.640 15.310 -7.103 132 H LYS 21 H LYS 21 21.011 12.406 -6.831 133 HA LYS 21 HA LYS 21 18.939 10.596 -5.689 134 HB2 LYS 21 HB2 LYS 21 21.920 10.580 -6.010 135 HB3 LYS 21 HB3 LYS 21 21.341 9.964 -4.481 136 HG2 LYS 21 HG2 LYS 21 21.620 8.134 -5.931 137 HG3 LYS 21 HG3 LYS 21 19.896 8.326 -5.620 138 HD2 LYS 21 HD2 LYS 21 19.539 9.217 -7.861 139 HD3 LYS 21 HD3 LYS 21 21.297 9.283 -8.163 140 HE2 LYS 21 HE2 LYS 21 21.487 6.857 -7.915 141 HE3 LYS 21 HE3 LYS 21 19.782 6.720 -7.480 142 HZ1 LYS 21 HZ1 LYS 21 20.303 6.138 -9.805 143 HZ2 LYS 21 HZ2 LYS 21 20.730 7.681 -10.120 144 HZ3 LYS 21 HZ3 LYS 21 19.175 7.337 -9.702 145 H LYS 22 H LYS 22 18.483 10.419 -3.469 146 HA LYS 22 HA LYS 22 19.496 12.603 -1.674 147 HB2 LYS 22 HB2 LYS 22 16.758 11.301 -1.761 148 HB3 LYS 22 HB3 LYS 22 17.280 12.391 -0.493 149 HG2 LYS 22 HG2 LYS 22 16.984 13.185 -3.428 150 HG3 LYS 22 HG3 LYS 22 15.758 13.368 -2.184 151 HD2 LYS 22 HD2 LYS 22 16.617 15.469 -2.173 152 HD3 LYS 22 HD3 LYS 22 17.581 14.748 -0.879 153 HE2 LYS 22 HE2 LYS 22 19.427 14.359 -2.553 154 HE3 LYS 22 HE3 LYS 22 18.412 15.093 -3.800 155 HZ1 LYS 22 HZ1 LYS 22 18.388 17.102 -2.310 156 HZ2 LYS 22 HZ2 LYS 22 19.821 16.761 -3.049 157 HZ3 LYS 22 HZ3 LYS 22 19.603 16.420 -1.439 158 HA PRO 23 HA PRO 23 20.758 9.274 1.015 159 HB2 PRO 23 HB2 PRO 23 21.170 10.602 3.371 160 HB3 PRO 23 HB3 PRO 23 22.228 10.779 1.938 161 HG2 PRO 23 HG2 PRO 23 19.962 12.574 2.825 162 HG3 PRO 23 HG3 PRO 23 21.610 13.051 2.314 163 HD2 PRO 23 HD2 PRO 23 19.464 13.123 0.619 164 HD3 PRO 23 HD3 PRO 23 21.110 12.707 0.050 165 H LEU 24 H LEU 24 20.192 8.226 3.116 166 HA LEU 24 HA LEU 24 17.486 7.458 2.809 167 HB2 LEU 24 HB2 LEU 24 19.496 6.008 3.303 168 HB3 LEU 24 HB3 LEU 24 19.469 6.615 4.951 169 HG LEU 24 HG LEU 24 17.171 5.623 5.228 170 HD11 LEU 24 HD11 LEU 24 17.758 4.423 2.484 171 HD12 LEU 24 HD12 LEU 24 16.406 5.498 2.902 172 HD13 LEU 24 HD13 LEU 24 16.478 3.875 3.583 173 HD21 LEU 24 HD21 LEU 24 19.198 4.431 5.957 174 HD22 LEU 24 HD22 LEU 24 19.357 3.706 4.343 175 HD23 LEU 24 HD23 LEU 24 17.967 3.301 5.377 176 H LYS 25 H LYS 25 15.691 7.663 4.023 177 HA LYS 25 HA LYS 25 15.476 9.717 6.080 178 HB2 LYS 25 HB2 LYS 25 13.543 7.722 4.851 179 HB3 LYS 25 HB3 LYS 25 13.081 8.843 6.136 180 HG2 LYS 25 HG2 LYS 25 13.681 10.768 4.775 181 HG3 LYS 25 HG3 LYS 25 14.285 9.736 3.480 182 HD2 LYS 25 HD2 LYS 25 12.051 10.676 3.010 183 HD3 LYS 25 HD3 LYS 25 12.082 8.907 2.988 184 HE2 LYS 25 HE2 LYS 25 11.115 8.854 5.264 185 HE3 LYS 25 HE3 LYS 25 11.087 10.625 5.314 186 HZ1 LYS 25 HZ1 LYS 25 9.714 9.101 3.190 187 HZ2 LYS 25 HZ2 LYS 25 9.411 10.647 3.647 188 HZ3 LYS 25 HZ3 LYS 25 8.980 9.381 4.617 189 HA PRO 26 HA PRO 26 15.964 7.194 9.728 190 HB2 PRO 26 HB2 PRO 26 14.483 8.497 11.598 191 HB3 PRO 26 HB3 PRO 26 15.924 9.238 10.847 192 HG2 PRO 26 HG2 PRO 26 13.020 9.614 10.030 193 HG3 PRO 26 HG3 PRO 26 14.231 10.885 10.403 194 HD2 PRO 26 HD2 PRO 26 13.747 10.095 7.853 195 HD3 PRO 26 HD3 PRO 26 15.402 10.490 8.393 196 H CYS 27 H CYS 27 14.574 6.092 11.536 197 HA CYS 27 HA CYS 27 12.415 4.544 10.299 198 HB2 CYS 27 HB2 CYS 27 12.563 3.173 12.252 199 HB3 CYS 27 HB3 CYS 27 14.206 3.607 11.781 200 HG CYS 27 HG CYS 27 14.194 3.628 14.337 201 H CYS 28 H CYS 28 10.817 4.173 12.675 202 HA CYS 28 HA CYS 28 8.822 4.788 13.484 203 HB2 CYS 28 HB2 CYS 28 9.892 7.626 13.476 204 HB3 CYS 28 HB3 CYS 28 8.436 7.063 14.297 205 HG CYS 28 HG CYS 28 11.543 5.950 14.710 206 H ALA 29 H ALA 29 9.153 4.482 10.689 207 HA ALA 29 HA ALA 29 6.437 5.210 9.971 208 HB1 ALA 29 HB1 ALA 29 7.759 7.016 8.877 209 HB2 ALA 29 HB2 ALA 29 8.795 5.794 8.106 210 HB3 ALA 29 HB3 ALA 29 7.074 5.908 7.677 211 H SER 30 H SER 30 5.875 3.746 7.955 212 HA SER 30 HA SER 30 7.194 1.081 8.313 213 HB2 SER 30 HB2 SER 30 4.539 1.879 7.130 214 HB3 SER 30 HB3 SER 30 5.188 0.227 7.178 215 HG SER 30 HG SER 30 4.503 1.895 9.393 216 HA PRO 31 HA PRO 31 8.935 2.262 4.180 217 HB2 PRO 31 HB2 PRO 31 11.086 0.504 4.295 218 HB3 PRO 31 HB3 PRO 31 11.095 2.192 4.881 219 HG2 PRO 31 HG2 PRO 31 10.587 -0.336 6.488 220 HG3 PRO 31 HG3 PRO 31 11.693 1.026 6.879 221 HD2 PRO 31 HD2 PRO 31 9.272 0.968 8.012 222 HD3 PRO 31 HD3 PRO 31 9.864 2.493 7.319 223 H GLU 32 H GLU 32 8.251 -1.005 5.580 224 HA GLU 32 HA GLU 32 8.403 -2.397 3.091 225 HB2 GLU 32 HB2 GLU 32 6.878 -3.028 5.648 226 HB3 GLU 32 HB3 GLU 32 6.884 -4.087 4.231 227 HG2 GLU 32 HG2 GLU 32 9.356 -4.208 4.310 228 HG3 GLU 32 HG3 GLU 32 9.358 -3.207 5.763 229 H THR 33 H THR 33 5.522 -0.860 4.620 230 HA THR 33 HA THR 33 3.697 -1.723 2.554 231 HB THR 33 HB THR 33 2.248 0.159 3.530 232 HG1 THR 33 HG1 THR 33 3.024 0.646 5.719 233 HG21 THR 33 HG21 THR 33 2.041 -2.225 4.260 234 HG22 THR 33 HG22 THR 33 1.743 -1.096 5.575 235 HG23 THR 33 HG23 THR 33 3.306 -1.937 5.484 236 H LYS 34 H LYS 34 5.639 1.203 3.018 237 HA LYS 34 HA LYS 34 4.809 2.694 0.732 238 HB2 LYS 34 HB2 LYS 34 6.024 3.939 2.191 239 HB3 LYS 34 HB3 LYS 34 7.081 2.616 2.654 240 HG2 LYS 34 HG2 LYS 34 8.397 2.878 0.602 241 HG3 LYS 34 HG3 LYS 34 7.349 4.233 0.104 242 HD2 LYS 34 HD2 LYS 34 8.111 5.570 1.978 243 HD3 LYS 34 HD3 LYS 34 8.867 4.172 2.748 244 HE2 LYS 34 HE2 LYS 34 10.541 5.661 1.715 245 HE3 LYS 34 HE3 LYS 34 10.578 4.015 1.061 246 HZ1 LYS 34 HZ1 LYS 34 9.240 6.309 -0.265 247 HZ2 LYS 34 HZ2 LYS 34 9.391 4.778 -0.872 248 HZ3 LYS 34 HZ3 LYS 34 10.715 5.707 -0.673 249 H LYS 35 H LYS 35 7.531 0.374 1.014 250 HA LYS 35 HA LYS 35 8.224 0.309 -1.776 251 HB2 LYS 35 HB2 LYS 35 8.831 -1.309 0.657 252 HB3 LYS 35 HB3 LYS 35 8.801 -2.242 -0.822 253 HG2 LYS 35 HG2 LYS 35 11.032 -1.570 -0.432 254 HG3 LYS 35 HG3 LYS 35 10.446 -0.750 -1.876 255 HD2 LYS 35 HD2 LYS 35 10.244 1.376 -0.627 256 HD3 LYS 35 HD3 LYS 35 10.596 0.531 0.887 257 HE2 LYS 35 HE2 LYS 35 12.633 1.608 0.249 258 HE3 LYS 35 HE3 LYS 35 12.837 -0.121 -0.004 259 HZ1 LYS 35 HZ1 LYS 35 12.369 1.917 -2.132 260 HZ2 LYS 35 HZ2 LYS 35 12.369 0.309 -2.420 261 HZ3 LYS 35 HZ3 LYS 35 13.714 1.038 -1.896 262 H ALA 36 H ALA 36 5.825 -1.616 0.056 263 HA ALA 36 HA ALA 36 5.112 -3.306 -2.136 264 HB1 ALA 36 HB1 ALA 36 3.272 -3.995 -0.701 265 HB2 ALA 36 HB2 ALA 36 4.758 -3.846 0.247 266 HB3 ALA 36 HB3 ALA 36 3.511 -2.584 0.350 267 H ARG 37 H ARG 37 3.719 -0.156 -1.078 268 HA ARG 37 HA ARG 37 1.610 -0.120 -3.036 269 HB2 ARG 37 HB2 ARG 37 1.704 1.388 -1.047 270 HB3 ARG 37 HB3 ARG 37 3.094 2.208 -1.745 271 HG2 ARG 37 HG2 ARG 37 1.134 3.536 -2.137 272 HG3 ARG 37 HG3 ARG 37 1.678 2.909 -3.690 273 HD2 ARG 37 HD2 ARG 37 -0.078 1.084 -3.492 274 HD3 ARG 37 HD3 ARG 37 -0.661 1.870 -2.018 275 HE ARG 37 HE ARG 37 -1.136 2.614 -4.768 276 HH11 ARG 37 HH11 ARG 37 -0.891 4.046 -1.506 277 HH12 ARG 37 HH12 ARG 37 -1.860 5.437 -1.940 278 HH21 ARG 37 HH21 ARG 37 -2.353 4.441 -5.282 279 HH22 ARG 37 HH22 ARG 37 -2.687 5.656 -4.068 280 H ASP 38 H ASP 38 4.979 1.124 -3.102 281 HA ASP 38 HA ASP 38 4.932 2.200 -5.751 282 HB2 ASP 38 HB2 ASP 38 6.620 2.753 -4.062 283 HB3 ASP 38 HB3 ASP 38 7.189 1.091 -4.026 284 H ALA 39 H ALA 39 5.764 -1.057 -4.522 285 HA ALA 39 HA ALA 39 6.397 -2.220 -7.059 286 HB1 ALA 39 HB1 ALA 39 5.490 -3.502 -4.450 287 HB2 ALA 39 HB2 ALA 39 6.263 -4.329 -5.813 288 HB3 ALA 39 HB3 ALA 39 7.170 -3.119 -4.901 289 H CYS 40 H CYS 40 3.270 -1.951 -5.267 290 HA CYS 40 HA CYS 40 1.773 -3.508 -7.182 291 HB2 CYS 40 HB2 CYS 40 0.982 -3.073 -4.931 292 HB3 CYS 40 HB3 CYS 40 0.868 -1.337 -5.250 293 H ILE 41 H ILE 41 2.290 0.067 -6.890 294 HA ILE 41 HA ILE 41 1.157 0.787 -9.394 295 HB ILE 41 HB ILE 41 3.135 1.971 -7.516 296 HG12 ILE 41 HG12 ILE 41 1.799 3.993 -7.853 297 HG13 ILE 41 HG13 ILE 41 0.941 3.252 -9.203 298 HG21 ILE 41 HG21 ILE 41 3.069 2.960 -10.395 299 HG22 ILE 41 HG22 ILE 41 3.832 3.781 -9.018 300 HG23 ILE 41 HG23 ILE 41 4.465 2.234 -9.572 301 HD11 ILE 41 HD11 ILE 41 0.779 2.303 -6.313 302 HD12 ILE 41 HD12 ILE 41 -0.394 3.360 -7.129 303 HD13 ILE 41 HD13 ILE 41 -0.178 1.700 -7.694 304 H ILE 42 H ILE 42 4.431 -0.620 -8.816 305 HA ILE 42 HA ILE 42 5.146 -0.522 -11.630 306 HB ILE 42 HB ILE 42 6.211 -2.136 -9.308 307 HG12 ILE 42 HG12 ILE 42 7.536 -0.004 -11.044 308 HG13 ILE 42 HG13 ILE 42 6.605 0.389 -9.611 309 HG21 ILE 42 HG21 ILE 42 6.566 -3.576 -11.272 310 HG22 ILE 42 HG22 ILE 42 7.248 -2.199 -12.175 311 HG23 ILE 42 HG23 ILE 42 8.087 -2.874 -10.765 312 HD11 ILE 42 HD11 ILE 42 9.158 -1.264 -9.655 313 HD12 ILE 42 HD12 ILE 42 8.937 0.372 -9.030 314 HD13 ILE 42 HD13 ILE 42 8.147 -0.989 -8.214 315 H GLU 43 H GLU 43 3.606 -3.138 -9.723 316 HA GLU 43 HA GLU 43 3.539 -4.962 -11.984 317 HB2 GLU 43 HB2 GLU 43 2.294 -4.993 -9.206 318 HB3 GLU 43 HB3 GLU 43 2.073 -6.288 -10.388 319 HG2 GLU 43 HG2 GLU 43 4.640 -6.416 -10.517 320 HG3 GLU 43 HG3 GLU 43 4.652 -5.426 -9.064 321 H LYS 44 H LYS 44 1.175 -2.688 -10.695 322 HA LYS 44 HA LYS 44 -0.928 -3.714 -12.585 323 HB2 LYS 44 HB2 LYS 44 -1.378 -2.587 -9.803 324 HB3 LYS 44 HB3 LYS 44 -2.539 -3.400 -10.855 325 HG2 LYS 44 HG2 LYS 44 -1.106 -5.481 -10.712 326 HG3 LYS 44 HG3 LYS 44 -0.193 -4.692 -9.411 327 HD2 LYS 44 HD2 LYS 44 -2.254 -4.451 -8.081 328 HD3 LYS 44 HD3 LYS 44 -3.205 -5.184 -9.372 329 HE2 LYS 44 HE2 LYS 44 -0.987 -6.546 -7.766 330 HE3 LYS 44 HE3 LYS 44 -2.727 -6.791 -7.588 331 HZ1 LYS 44 HZ1 LYS 44 -0.972 -7.877 -9.613 332 HZ2 LYS 44 HZ2 LYS 44 -2.437 -7.341 -10.172 333 HZ3 LYS 44 HZ3 LYS 44 -2.375 -8.461 -8.991 334 H GLY 45 H GLY 45 0.642 -0.834 -11.401 335 HA2 GLY 45 HA2 GLY 45 0.460 1.312 -12.363 336 HA3 GLY 45 HA3 GLY 45 -1.005 0.807 -13.195 337 H GLU 46 H GLU 46 -0.895 3.227 -12.131 338 HA GLU 46 HA GLU 46 -1.367 3.722 -9.464 339 HB2 GLU 46 HB2 GLU 46 -2.592 5.319 -11.754 340 HB3 GLU 46 HB3 GLU 46 -2.236 5.864 -10.121 341 HG2 GLU 46 HG2 GLU 46 -0.491 6.793 -11.175 342 HG3 GLU 46 HG3 GLU 46 0.250 5.255 -10.711 343 H GLU 47 H GLU 47 -3.846 2.559 -11.686 344 HA GLU 47 HA GLU 47 -6.023 3.566 -9.952 345 HB2 GLU 47 HB2 GLU 47 -6.148 2.180 -12.652 346 HB3 GLU 47 HB3 GLU 47 -7.488 2.957 -11.807 347 HG2 GLU 47 HG2 GLU 47 -6.292 5.153 -11.950 348 HG3 GLU 47 HG3 GLU 47 -4.980 4.376 -12.811 349 H HIS 48 H HIS 48 -4.216 0.804 -9.817 350 HA HIS 48 HA HIS 48 -6.527 -1.028 -9.308 351 HB2 HIS 48 HB2 HIS 48 -3.860 -1.516 -10.648 352 HB3 HIS 48 HB3 HIS 48 -5.101 -2.745 -10.380 353 HD1 HIS 48 HD1 HIS 48 -4.116 -0.165 -12.898 354 HD2 HIS 48 HD2 HIS 48 -7.582 -2.220 -11.661 355 HE1 HIS 48 HE1 HIS 48 -5.768 -0.013 -14.818 356 H CYS 49 H CYS 49 -4.830 0.441 -7.218 357 HA CYS 49 HA CYS 49 -3.771 -1.927 -5.734 358 HB2 CYS 49 HB2 CYS 49 -2.775 0.915 -5.849 359 HB3 CYS 49 HB3 CYS 49 -2.157 -0.311 -4.740 360 H GLY 50 H GLY 50 -6.575 -0.874 -5.525 361 HA2 GLY 50 HA2 GLY 50 -7.004 0.562 -3.119 362 HA3 GLY 50 HA3 GLY 50 -8.142 -0.535 -3.881 363 H HIS 51 H HIS 51 -6.334 -2.916 -3.539 364 HA HIS 51 HA HIS 51 -6.976 -3.646 -0.793 365 HB2 HIS 51 HB2 HIS 51 -5.365 -5.013 -2.984 366 HB3 HIS 51 HB3 HIS 51 -5.651 -5.696 -1.383 367 HD1 HIS 51 HD1 HIS 51 -8.075 -6.552 -0.788 368 HD2 HIS 51 HD2 HIS 51 -7.494 -5.133 -4.702 369 HE1 HIS 51 HE1 HIS 51 -10.113 -7.306 -2.129 370 H LEU 52 H LEU 52 -4.025 -2.416 -2.360 371 HA LEU 52 HA LEU 52 -2.307 -2.861 -0.029 372 HB2 LEU 52 HB2 LEU 52 -2.062 -1.265 -2.613 373 HB3 LEU 52 HB3 LEU 52 -0.975 -0.939 -1.293 374 HG LEU 52 HG LEU 52 -0.070 -2.445 -3.001 375 HD11 LEU 52 HD11 LEU 52 0.849 -2.463 -0.729 376 HD12 LEU 52 HD12 LEU 52 0.948 -4.059 -1.492 377 HD13 LEU 52 HD13 LEU 52 -0.290 -3.747 -0.267 378 HD21 LEU 52 HD21 LEU 52 -2.105 -3.761 -3.542 379 HD22 LEU 52 HD22 LEU 52 -2.005 -4.549 -1.945 380 HD23 LEU 52 HD23 LEU 52 -0.722 -4.784 -3.130 381 H ILE 53 H ILE 53 -4.223 -0.115 -1.318 382 HA ILE 53 HA ILE 53 -3.681 1.666 0.843 383 HB ILE 53 HB ILE 53 -6.154 1.526 -0.877 384 HG12 ILE 53 HG12 ILE 53 -3.711 3.332 -1.231 385 HG13 ILE 53 HG13 ILE 53 -3.826 1.781 -2.057 386 HG21 ILE 53 HG21 ILE 53 -6.494 2.922 1.131 387 HG22 ILE 53 HG22 ILE 53 -4.953 3.754 0.842 388 HG23 ILE 53 HG23 ILE 53 -6.332 3.967 -0.266 389 HD11 ILE 53 HD11 ILE 53 -4.626 3.380 -3.590 390 HD12 ILE 53 HD12 ILE 53 -6.030 2.473 -2.992 391 HD13 ILE 53 HD13 ILE 53 -5.708 4.114 -2.388 392 H GLU 54 H GLU 54 -6.163 -0.896 0.517 393 HA GLU 54 HA GLU 54 -7.515 -0.462 2.990 394 HB2 GLU 54 HB2 GLU 54 -8.304 -2.004 1.203 395 HB3 GLU 54 HB3 GLU 54 -7.048 -3.155 1.680 396 HG2 GLU 54 HG2 GLU 54 -8.060 -3.090 4.040 397 HG3 GLU 54 HG3 GLU 54 -9.382 -2.144 3.365 398 H ALA 55 H ALA 55 -4.687 -2.595 2.312 399 HA ALA 55 HA ALA 55 -4.224 -3.428 5.002 400 HB1 ALA 55 HB1 ALA 55 -3.068 -4.486 3.163 401 HB2 ALA 55 HB2 ALA 55 -2.287 -2.965 2.686 402 HB3 ALA 55 HB3 ALA 55 -1.839 -3.737 4.212 403 H HIS 56 H HIS 56 -3.140 -0.466 3.297 404 HA HIS 56 HA HIS 56 -1.449 0.318 5.506 405 HB2 HIS 56 HB2 HIS 56 -2.288 1.871 3.053 406 HB3 HIS 56 HB3 HIS 56 -0.931 2.241 4.120 407 HD1 HIS 56 HD1 HIS 56 -0.394 1.707 1.088 408 HD2 HIS 56 HD2 HIS 56 -0.378 -1.281 4.037 409 HE1 HIS 56 HE1 HIS 56 1.042 -0.232 0.185 410 H LYS 57 H LYS 57 -4.763 1.291 4.567 411 HA LYS 57 HA LYS 57 -4.987 3.245 6.713 412 HB2 LYS 57 HB2 LYS 57 -7.310 3.341 6.249 413 HB3 LYS 57 HB3 LYS 57 -6.424 3.257 4.724 414 HG2 LYS 57 HG2 LYS 57 -6.991 0.864 4.530 415 HG3 LYS 57 HG3 LYS 57 -7.907 0.946 6.031 416 HD2 LYS 57 HD2 LYS 57 -9.459 1.014 4.223 417 HD3 LYS 57 HD3 LYS 57 -9.432 2.610 4.979 418 HE2 LYS 57 HE2 LYS 57 -8.003 3.474 3.172 419 HE3 LYS 57 HE3 LYS 57 -7.944 1.866 2.426 420 HZ1 LYS 57 HZ1 LYS 57 -9.624 3.342 1.413 421 HZ2 LYS 57 HZ2 LYS 57 -10.448 3.424 2.823 422 HZ3 LYS 57 HZ3 LYS 57 -10.318 1.990 2.023 423 H GLU 58 H GLU 58 -5.765 -0.252 6.532 424 HA GLU 58 HA GLU 58 -6.613 -0.402 9.307 425 HB2 GLU 58 HB2 GLU 58 -5.609 -2.516 7.375 426 HB3 GLU 58 HB3 GLU 58 -6.233 -2.868 8.995 427 HG2 GLU 58 HG2 GLU 58 -8.395 -1.837 8.438 428 HG3 GLU 58 HG3 GLU 58 -7.834 -1.433 6.825 429 H SER 59 H SER 59 -3.399 -0.755 7.793 430 HA SER 59 HA SER 59 -1.909 -1.390 10.123 431 HB2 SER 59 HB2 SER 59 -1.008 -1.492 7.830 432 HB3 SER 59 HB3 SER 59 -1.093 0.279 7.720 433 HG SER 59 HG SER 59 0.480 -1.325 9.453 434 H MET 60 H MET 60 -2.758 1.914 8.807 435 HA MET 60 HA MET 60 -1.595 3.092 11.203 436 HB2 MET 60 HB2 MET 60 -2.068 4.069 8.698 437 HB3 MET 60 HB3 MET 60 -3.348 4.848 9.634 438 HG2 MET 60 HG2 MET 60 -1.358 6.239 9.597 439 HG3 MET 60 HG3 MET 60 -1.624 5.669 11.247 440 HE1 MET 60 HE1 MET 60 2.329 5.969 10.855 441 HE2 MET 60 HE2 MET 60 1.086 6.999 10.116 442 HE3 MET 60 HE3 MET 60 0.917 6.471 11.808 443 H ARG 61 H ARG 61 -4.872 1.971 10.494 444 HA ARG 61 HA ARG 61 -6.041 3.081 12.891 445 HB2 ARG 61 HB2 ARG 61 -7.373 2.109 11.134 446 HB3 ARG 61 HB3 ARG 61 -6.650 0.527 11.378 447 HG2 ARG 61 HG2 ARG 61 -7.874 1.701 13.839 448 HG3 ARG 61 HG3 ARG 61 -9.016 1.444 12.536 449 HD2 ARG 61 HD2 ARG 61 -7.129 -0.725 13.519 450 HD3 ARG 61 HD3 ARG 61 -8.783 -0.498 14.118 451 HE ARG 61 HE ARG 61 -9.157 -0.596 11.421 452 HH11 ARG 61 HH11 ARG 61 -7.512 -2.825 13.664 453 HH12 ARG 61 HH12 ARG 61 -7.901 -4.238 12.706 454 HH21 ARG 61 HH21 ARG 61 -9.629 -2.445 10.210 455 HH22 ARG 61 HH22 ARG 61 -9.098 -4.021 10.753 456 H ALA 62 H ALA 62 -3.944 0.210 12.364 457 HA ALA 62 HA ALA 62 -3.961 -0.556 15.127 458 HB1 ALA 62 HB1 ALA 62 -1.710 -1.041 13.161 459 HB2 ALA 62 HB2 ALA 62 -2.080 -1.929 14.640 460 HB3 ALA 62 HB3 ALA 62 -3.202 -2.003 13.276 461 H LEU 63 H LEU 63 -2.607 2.386 13.908 462 HA LEU 63 HA LEU 63 -0.868 2.711 16.313 463 HB2 LEU 63 HB2 LEU 63 -1.501 4.438 13.903 464 HB3 LEU 63 HB3 LEU 63 -0.855 5.145 15.360 465 HG LEU 63 HG LEU 63 0.840 4.728 13.669 466 HD11 LEU 63 HD11 LEU 63 1.319 3.020 16.142 467 HD12 LEU 63 HD12 LEU 63 1.479 4.785 16.064 468 HD13 LEU 63 HD13 LEU 63 2.542 3.752 15.093 469 HD21 LEU 63 HD21 LEU 63 -0.173 2.605 12.786 470 HD22 LEU 63 HD22 LEU 63 0.483 1.760 14.200 471 HD23 LEU 63 HD23 LEU 63 1.581 2.557 13.052 472 H GLY 64 H GLY 64 -4.117 3.418 15.234 473 HA2 GLY 64 HA2 GLY 64 -5.942 3.939 16.557 474 HA3 GLY 64 HA3 GLY 64 -4.888 4.315 17.921 475 H PHE 65 H PHE 65 -4.176 5.940 14.901 476 HA PHE 65 HA PHE 65 -5.907 8.256 15.578 477 HB2 PHE 65 HB2 PHE 65 -3.945 9.810 15.179 478 HB3 PHE 65 HB3 PHE 65 -4.068 8.965 16.694 479 HD1 PHE 65 HD1 PHE 65 -2.258 8.653 13.348 480 HD2 PHE 65 HD2 PHE 65 -2.216 7.918 17.611 481 HE1 PHE 65 HE1 PHE 65 0.134 8.093 13.236 482 HE2 PHE 65 HE2 PHE 65 0.188 7.339 17.473 483 HZ PHE 65 HZ PHE 65 1.376 7.438 15.290 484 H LYS 66 H LYS 66 -6.855 6.843 13.736 485 HA LYS 66 HA LYS 66 -6.126 8.139 11.139 486 HB2 LYS 66 HB2 LYS 66 -4.833 6.065 11.297 487 HB3 LYS 66 HB3 LYS 66 -6.279 5.134 11.628 488 HG2 LYS 66 HG2 LYS 66 -5.657 4.762 9.370 489 HG3 LYS 66 HG3 LYS 66 -7.132 5.694 9.319 490 HD2 LYS 66 HD2 LYS 66 -4.440 7.116 9.145 491 HD3 LYS 66 HD3 LYS 66 -5.069 6.236 7.743 492 HE2 LYS 66 HE2 LYS 66 -7.184 7.562 7.882 493 HE3 LYS 66 HE3 LYS 66 -6.458 8.549 9.156 494 HZ1 LYS 66 HZ1 LYS 66 -5.370 8.250 6.405 495 HZ2 LYS 66 HZ2 LYS 66 -4.744 9.248 7.543 496 HZ3 LYS 66 HZ3 LYS 66 -6.226 9.535 6.928 497 H ILE 67 H ILE 67 -8.497 5.942 12.666 498 HA ILE 67 HA ILE 67 -10.716 7.376 11.315 499 HB ILE 67 HB ILE 67 -11.762 5.054 10.883 500 HG12 ILE 67 HG12 ILE 67 -8.828 4.204 10.886 501 HG13 ILE 67 HG13 ILE 67 -10.066 3.702 12.050 502 HG21 ILE 67 HG21 ILE 67 -9.476 5.970 9.097 503 HG22 ILE 67 HG22 ILE 67 -10.932 5.092 8.610 504 HG23 ILE 67 HG23 ILE 67 -11.063 6.754 9.185 505 HD11 ILE 67 HD11 ILE 67 -9.724 1.935 10.429 506 HD12 ILE 67 HD12 ILE 67 -11.333 2.636 10.154 507 HD13 ILE 67 HD13 ILE 67 -9.966 3.042 9.081 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 -27.258 14.046 -10.391 2 H2 GLY 1 H2 GLY 1 -27.967 12.565 -10.511 3 H3 GLY 1 H3 GLY 1 -26.402 12.691 -10.013 4 HA2 GLY 1 HA2 GLY 1 -27.024 13.822 -8.021 5 HA3 GLY 1 HA3 GLY 1 -28.719 13.724 -8.522 6 H SER 2 H SER 2 -29.290 12.514 -6.666 7 HA SER 2 HA SER 2 -29.556 10.763 -5.297 8 HB2 SER 2 HB2 SER 2 -29.087 9.035 -7.739 9 HB3 SER 2 HB3 SER 2 -30.000 8.612 -6.281 10 HG SER 2 HG SER 2 -31.633 9.369 -7.327 11 H PHE 3 H PHE 3 -26.708 11.648 -5.426 12 HA PHE 3 HA PHE 3 -25.040 9.363 -5.754 13 HB2 PHE 3 HB2 PHE 3 -24.245 11.560 -6.278 14 HB3 PHE 3 HB3 PHE 3 -24.518 12.118 -4.632 15 HD1 PHE 3 HD1 PHE 3 -22.793 8.949 -5.815 16 HD2 PHE 3 HD2 PHE 3 -22.386 12.800 -3.911 17 HE1 PHE 3 HE1 PHE 3 -20.496 8.366 -5.122 18 HE2 PHE 3 HE2 PHE 3 -20.057 12.223 -3.265 19 HZ PHE 3 HZ PHE 3 -19.111 9.999 -3.862 20 H THR 4 H THR 4 -24.503 7.767 -4.446 21 HA THR 4 HA THR 4 -25.226 7.760 -1.605 22 HB THR 4 HB THR 4 -23.855 5.579 -3.206 23 HG1 THR 4 HG1 THR 4 -25.939 4.743 -3.355 24 HG21 THR 4 HG21 THR 4 -23.737 5.265 -0.725 25 HG22 THR 4 HG22 THR 4 -24.840 4.105 -1.473 26 HG23 THR 4 HG23 THR 4 -25.492 5.521 -0.617 27 H MET 5 H MET 5 -23.852 9.661 -1.398 28 HA MET 5 HA MET 5 -21.079 9.740 -1.606 29 HB2 MET 5 HB2 MET 5 -21.286 11.844 -0.341 30 HB3 MET 5 HB3 MET 5 -22.572 11.668 -1.526 31 HG2 MET 5 HG2 MET 5 -24.061 10.812 0.350 32 HG3 MET 5 HG3 MET 5 -22.807 11.320 1.479 33 HE1 MET 5 HE1 MET 5 -21.705 14.052 0.592 34 HE2 MET 5 HE2 MET 5 -22.895 15.202 1.243 35 HE3 MET 5 HE3 MET 5 -22.405 13.794 2.207 36 HA PRO 6 HA PRO 6 -19.052 7.804 1.645 37 HB2 PRO 6 HB2 PRO 6 -17.878 10.441 2.555 38 HB3 PRO 6 HB3 PRO 6 -17.060 8.856 2.345 39 HG2 PRO 6 HG2 PRO 6 -16.871 10.716 0.393 40 HG3 PRO 6 HG3 PRO 6 -17.217 9.012 -0.046 41 HD2 PRO 6 HD2 PRO 6 -19.147 11.327 0.195 42 HD3 PRO 6 HD3 PRO 6 -19.041 10.067 -1.073 43 H GLY 7 H GLY 7 -19.264 7.099 3.721 44 HA2 GLY 7 HA2 GLY 7 -20.157 6.945 5.875 45 HA3 GLY 7 HA3 GLY 7 -20.691 8.614 5.806 46 H LEU 8 H LEU 8 -21.921 7.235 3.000 47 HA LEU 8 HA LEU 8 -24.364 6.125 4.319 48 HB2 LEU 8 HB2 LEU 8 -23.848 6.752 1.395 49 HB3 LEU 8 HB3 LEU 8 -25.329 6.088 2.077 50 HG LEU 8 HG LEU 8 -24.180 8.860 2.655 51 HD11 LEU 8 HD11 LEU 8 -26.197 9.648 1.484 52 HD12 LEU 8 HD12 LEU 8 -26.683 7.969 1.164 53 HD13 LEU 8 HD13 LEU 8 -25.199 8.631 0.438 54 HD21 LEU 8 HD21 LEU 8 -26.346 9.267 3.830 55 HD22 LEU 8 HD22 LEU 8 -25.330 8.092 4.665 56 HD23 LEU 8 HD23 LEU 8 -26.720 7.536 3.695 57 H VAL 9 H VAL 9 -23.096 4.497 5.257 58 HA VAL 9 HA VAL 9 -22.600 2.117 3.632 59 HB VAL 9 HB VAL 9 -20.632 1.732 5.286 60 HG11 VAL 9 HG11 VAL 9 -20.288 3.761 3.018 61 HG12 VAL 9 HG12 VAL 9 -18.999 2.770 3.734 62 HG13 VAL 9 HG13 VAL 9 -20.313 1.996 2.843 63 HG21 VAL 9 HG21 VAL 9 -20.473 4.767 5.252 64 HG22 VAL 9 HG22 VAL 9 -20.998 3.810 6.653 65 HG23 VAL 9 HG23 VAL 9 -19.356 3.633 6.018 66 H ASP 10 H ASP 10 -22.854 0.319 4.763 67 HA ASP 10 HA ASP 10 -24.359 0.295 7.290 68 HB2 ASP 10 HB2 ASP 10 -24.773 -1.517 5.700 69 HB3 ASP 10 HB3 ASP 10 -23.086 -2.036 5.819 70 H SER 11 H SER 11 -23.564 0.402 9.194 71 HA SER 11 HA SER 11 -20.821 0.878 9.732 72 HB2 SER 11 HB2 SER 11 -23.133 0.544 11.637 73 HB3 SER 11 HB3 SER 11 -21.532 1.203 12.048 74 HG SER 11 HG SER 11 -21.879 2.771 10.362 75 H ASN 12 H ASN 12 -19.416 0.004 11.159 76 HA ASN 12 HA ASN 12 -17.959 -1.595 11.769 77 HB2 ASN 12 HB2 ASN 12 -20.449 -2.599 13.164 78 HB3 ASN 12 HB3 ASN 12 -18.791 -3.060 13.569 79 HD21 ASN 12 HD21 ASN 12 -21.225 -0.749 14.195 80 HD22 ASN 12 HD22 ASN 12 -20.188 0.447 14.968 81 HA PRO 13 HA PRO 13 -19.004 -4.558 8.463 82 HB2 PRO 13 HB2 PRO 13 -17.124 -3.979 6.607 83 HB3 PRO 13 HB3 PRO 13 -18.537 -2.914 6.889 84 HG2 PRO 13 HG2 PRO 13 -15.737 -2.629 8.037 85 HG3 PRO 13 HG3 PRO 13 -16.720 -1.382 7.209 86 HD2 PRO 13 HD2 PRO 13 -16.631 -1.603 9.935 87 HD3 PRO 13 HD3 PRO 13 -18.106 -1.087 9.064 88 H ALA 14 H ALA 14 -18.034 -6.418 7.586 89 HA ALA 14 HA ALA 14 -16.314 -7.796 9.392 90 HB1 ALA 14 HB1 ALA 14 -17.302 -8.547 6.614 91 HB2 ALA 14 HB2 ALA 14 -16.596 -9.668 7.794 92 HB3 ALA 14 HB3 ALA 14 -18.140 -8.870 8.151 93 HA PRO 15 HA PRO 15 -12.309 -7.051 7.530 94 HB2 PRO 15 HB2 PRO 15 -10.822 -9.055 8.623 95 HB3 PRO 15 HB3 PRO 15 -11.550 -7.760 9.621 96 HG2 PRO 15 HG2 PRO 15 -12.651 -10.542 9.080 97 HG3 PRO 15 HG3 PRO 15 -12.427 -9.737 10.666 98 HD2 PRO 15 HD2 PRO 15 -14.817 -9.717 9.354 99 HD3 PRO 15 HD3 PRO 15 -14.261 -8.319 10.319 100 HA PRO 16 HA PRO 16 -11.581 -9.765 3.950 101 HB2 PRO 16 HB2 PRO 16 -8.842 -9.879 3.786 102 HB3 PRO 16 HB3 PRO 16 -9.804 -8.437 3.327 103 HG2 PRO 16 HG2 PRO 16 -8.428 -8.979 5.982 104 HG3 PRO 16 HG3 PRO 16 -8.314 -7.508 4.958 105 HD2 PRO 16 HD2 PRO 16 -10.020 -7.585 7.033 106 HD3 PRO 16 HD3 PRO 16 -10.545 -6.866 5.483 107 H GLU 17 H GLU 17 -11.056 -11.934 3.475 108 HA GLU 17 HA GLU 17 -11.518 -13.385 5.970 109 HB2 GLU 17 HB2 GLU 17 -12.806 -14.913 4.638 110 HB3 GLU 17 HB3 GLU 17 -13.278 -13.236 4.385 111 HG2 GLU 17 HG2 GLU 17 -11.976 -13.221 2.235 112 HG3 GLU 17 HG3 GLU 17 -11.630 -14.942 2.478 113 H SER 18 H SER 18 -8.800 -13.463 3.876 114 HA SER 18 HA SER 18 -7.897 -15.731 5.562 115 HB2 SER 18 HB2 SER 18 -6.733 -16.868 3.775 116 HB3 SER 18 HB3 SER 18 -8.474 -16.822 3.498 117 HG SER 18 HG SER 18 -7.623 -16.345 1.599 118 H GLN 19 H GLN 19 -6.895 -12.952 3.573 119 HA GLN 19 HA GLN 19 -5.035 -11.677 3.584 120 HB2 GLN 19 HB2 GLN 19 -6.147 -11.090 5.709 121 HB3 GLN 19 HB3 GLN 19 -5.048 -12.170 6.574 122 HG2 GLN 19 HG2 GLN 19 -3.129 -10.813 5.977 123 HG3 GLN 19 HG3 GLN 19 -4.085 -9.878 4.826 124 HE21 GLN 19 HE21 GLN 19 -4.845 -7.916 5.540 125 HE22 GLN 19 HE22 GLN 19 -4.976 -7.475 7.237 126 H GLU 20 H GLU 20 -3.831 -13.034 2.282 127 HA GLU 20 HA GLU 20 -2.593 -15.393 3.073 128 HB2 GLU 20 HB2 GLU 20 -1.619 -15.456 0.879 129 HB3 GLU 20 HB3 GLU 20 -3.258 -14.819 0.785 130 HG2 GLU 20 HG2 GLU 20 -2.285 -12.492 0.635 131 HG3 GLU 20 HG3 GLU 20 -0.674 -13.200 0.631 132 H LYS 21 H LYS 21 -1.243 -12.272 3.597 133 HA LYS 21 HA LYS 21 1.075 -13.569 4.857 134 HB2 LYS 21 HB2 LYS 21 1.890 -12.801 2.599 135 HB3 LYS 21 HB3 LYS 21 1.460 -11.141 3.053 136 HG2 LYS 21 HG2 LYS 21 3.003 -11.346 5.036 137 HG3 LYS 21 HG3 LYS 21 3.474 -12.956 4.461 138 HD2 LYS 21 HD2 LYS 21 4.332 -11.932 2.383 139 HD3 LYS 21 HD3 LYS 21 3.870 -10.322 2.980 140 HE2 LYS 21 HE2 LYS 21 5.848 -12.242 4.287 141 HE3 LYS 21 HE3 LYS 21 6.283 -10.818 3.337 142 HZ1 LYS 21 HZ1 LYS 21 5.303 -9.411 5.004 143 HZ2 LYS 21 HZ2 LYS 21 6.307 -10.475 5.779 144 HZ3 LYS 21 HZ3 LYS 21 4.688 -10.668 5.842 145 H LYS 22 H LYS 22 1.701 -12.656 6.732 146 HA LYS 22 HA LYS 22 -0.056 -10.647 7.912 147 HB2 LYS 22 HB2 LYS 22 0.871 -12.838 8.951 148 HB3 LYS 22 HB3 LYS 22 2.350 -11.937 9.221 149 HG2 LYS 22 HG2 LYS 22 1.111 -11.847 11.243 150 HG3 LYS 22 HG3 LYS 22 1.006 -10.243 10.532 151 HD2 LYS 22 HD2 LYS 22 -1.137 -10.959 11.511 152 HD3 LYS 22 HD3 LYS 22 -1.289 -10.662 9.790 153 HE2 LYS 22 HE2 LYS 22 -2.553 -12.631 10.384 154 HE3 LYS 22 HE3 LYS 22 -1.224 -13.090 9.322 155 HZ1 LYS 22 HZ1 LYS 22 -1.468 -14.602 11.165 156 HZ2 LYS 22 HZ2 LYS 22 -1.220 -13.399 12.281 157 HZ3 LYS 22 HZ3 LYS 22 -0.015 -13.905 11.246 158 HA PRO 23 HA PRO 23 3.028 -7.343 7.319 159 HB2 PRO 23 HB2 PRO 23 1.608 -5.222 8.188 160 HB3 PRO 23 HB3 PRO 23 1.169 -6.075 6.674 161 HG2 PRO 23 HG2 PRO 23 -0.032 -6.458 9.440 162 HG3 PRO 23 HG3 PRO 23 -0.895 -6.189 7.892 163 HD2 PRO 23 HD2 PRO 23 -0.455 -8.682 8.961 164 HD3 PRO 23 HD3 PRO 23 -0.523 -8.396 7.195 165 H LEU 24 H LEU 24 4.208 -5.840 8.720 166 HA LEU 24 HA LEU 24 4.892 -6.663 11.332 167 HB2 LEU 24 HB2 LEU 24 6.252 -5.222 9.859 168 HB3 LEU 24 HB3 LEU 24 5.043 -3.945 9.963 169 HG LEU 24 HG LEU 24 5.533 -3.680 12.395 170 HD11 LEU 24 HD11 LEU 24 7.585 -4.707 13.324 171 HD12 LEU 24 HD12 LEU 24 7.780 -5.676 11.846 172 HD13 LEU 24 HD13 LEU 24 6.394 -5.945 12.925 173 HD21 LEU 24 HD21 LEU 24 7.960 -3.493 10.568 174 HD22 LEU 24 HD22 LEU 24 7.729 -2.619 12.096 175 HD23 LEU 24 HD23 LEU 24 6.667 -2.284 10.718 176 H LYS 25 H LYS 25 4.186 -6.199 13.357 177 HA LYS 25 HA LYS 25 1.673 -4.780 13.909 178 HB2 LYS 25 HB2 LYS 25 3.767 -6.042 15.702 179 HB3 LYS 25 HB3 LYS 25 2.262 -5.315 16.279 180 HG2 LYS 25 HG2 LYS 25 0.918 -6.965 15.084 181 HG3 LYS 25 HG3 LYS 25 2.336 -7.590 14.259 182 HD2 LYS 25 HD2 LYS 25 1.944 -9.187 15.926 183 HD3 LYS 25 HD3 LYS 25 3.290 -8.228 16.520 184 HE2 LYS 25 HE2 LYS 25 2.047 -8.350 18.432 185 HE3 LYS 25 HE3 LYS 25 1.414 -6.843 17.771 186 HZ1 LYS 25 HZ1 LYS 25 -0.454 -8.156 16.859 187 HZ2 LYS 25 HZ2 LYS 25 -0.372 -8.294 18.479 188 HZ3 LYS 25 HZ3 LYS 25 0.164 -9.538 17.571 189 HA PRO 26 HA PRO 26 4.418 -1.259 13.736 190 HB2 PRO 26 HB2 PRO 26 2.002 0.485 13.601 191 HB3 PRO 26 HB3 PRO 26 3.360 0.320 12.440 192 HG2 PRO 26 HG2 PRO 26 0.924 -0.739 11.893 193 HG3 PRO 26 HG3 PRO 26 2.412 -1.681 11.533 194 HD2 PRO 26 HD2 PRO 26 0.684 -1.815 14.044 195 HD3 PRO 26 HD3 PRO 26 1.126 -3.138 12.944 196 H CYS 27 H CYS 27 5.244 0.540 14.799 197 HA CYS 27 HA CYS 27 3.988 1.441 17.374 198 HB2 CYS 27 HB2 CYS 27 6.891 0.695 16.827 199 HB3 CYS 27 HB3 CYS 27 6.332 1.530 18.283 200 HG CYS 27 HG CYS 27 6.819 -1.013 18.734 201 H CYS 28 H CYS 28 6.201 2.271 14.697 202 HA CYS 28 HA CYS 28 5.714 5.189 15.173 203 HB2 CYS 28 HB2 CYS 28 8.320 3.695 14.684 204 HB3 CYS 28 HB3 CYS 28 8.147 5.422 14.319 205 HG CYS 28 HG CYS 28 9.323 4.979 16.683 206 H ALA 29 H ALA 29 6.398 2.672 12.675 207 HA ALA 29 HA ALA 29 5.077 4.277 10.624 208 HB1 ALA 29 HB1 ALA 29 7.074 4.305 9.161 209 HB2 ALA 29 HB2 ALA 29 7.416 5.172 10.654 210 HB3 ALA 29 HB3 ALA 29 8.041 3.525 10.433 211 H SER 30 H SER 30 5.086 2.879 8.482 212 HA SER 30 HA SER 30 5.551 0.000 8.996 213 HB2 SER 30 HB2 SER 30 3.120 0.557 9.481 214 HB3 SER 30 HB3 SER 30 2.936 0.961 7.766 215 HG SER 30 HG SER 30 2.383 -1.226 8.426 216 HA PRO 31 HA PRO 31 7.100 1.901 5.040 217 HB2 PRO 31 HB2 PRO 31 9.755 1.032 5.252 218 HB3 PRO 31 HB3 PRO 31 9.092 2.621 5.728 219 HG2 PRO 31 HG2 PRO 31 9.571 0.203 7.460 220 HG3 PRO 31 HG3 PRO 31 9.921 1.917 7.832 221 HD2 PRO 31 HD2 PRO 31 7.720 0.760 8.854 222 HD3 PRO 31 HD3 PRO 31 7.638 2.391 8.159 223 H GLU 32 H GLU 32 7.513 -1.520 6.172 224 HA GLU 32 HA GLU 32 7.985 -2.546 3.555 225 HB2 GLU 32 HB2 GLU 32 7.273 -4.689 4.330 226 HB3 GLU 32 HB3 GLU 32 8.329 -3.916 5.501 227 HG2 GLU 32 HG2 GLU 32 6.400 -3.429 6.964 228 HG3 GLU 32 HG3 GLU 32 5.288 -4.063 5.746 229 H THR 33 H THR 33 4.863 -1.628 5.049 230 HA THR 33 HA THR 33 3.304 -2.670 2.808 231 HB THR 33 HB THR 33 1.436 -1.431 3.611 232 HG1 THR 33 HG1 THR 33 3.182 -0.259 5.524 233 HG21 THR 33 HG21 THR 33 2.850 -2.669 5.988 234 HG22 THR 33 HG22 THR 33 1.859 -3.525 4.770 235 HG23 THR 33 HG23 THR 33 1.109 -2.330 5.829 236 H LYS 34 H LYS 34 4.779 0.484 3.564 237 HA LYS 34 HA LYS 34 3.915 1.868 1.184 238 HB2 LYS 34 HB2 LYS 34 4.797 3.327 2.721 239 HB3 LYS 34 HB3 LYS 34 6.062 2.218 3.233 240 HG2 LYS 34 HG2 LYS 34 7.347 2.626 1.219 241 HG3 LYS 34 HG3 LYS 34 6.095 3.714 0.589 242 HD2 LYS 34 HD2 LYS 34 6.610 5.370 2.260 243 HD3 LYS 34 HD3 LYS 34 7.514 4.202 3.237 244 HE2 LYS 34 HE2 LYS 34 9.102 5.638 2.103 245 HE3 LYS 34 HE3 LYS 34 9.237 3.991 1.505 246 HZ1 LYS 34 HZ1 LYS 34 7.988 6.296 0.141 247 HZ2 LYS 34 HZ2 LYS 34 7.831 4.741 -0.440 248 HZ3 LYS 34 HZ3 LYS 34 9.309 5.422 -0.326 249 H LYS 35 H LYS 35 6.827 -0.202 1.734 250 HA LYS 35 HA LYS 35 7.837 0.140 -0.922 251 HB2 LYS 35 HB2 LYS 35 8.382 -1.717 1.358 252 HB3 LYS 35 HB3 LYS 35 8.771 -2.351 -0.234 253 HG2 LYS 35 HG2 LYS 35 10.726 -1.302 0.705 254 HG3 LYS 35 HG3 LYS 35 10.196 -0.436 -0.735 255 HD2 LYS 35 HD2 LYS 35 9.062 1.241 0.819 256 HD3 LYS 35 HD3 LYS 35 9.852 0.434 2.171 257 HE2 LYS 35 HE2 LYS 35 11.194 1.791 -0.217 258 HE3 LYS 35 HE3 LYS 35 11.043 2.457 1.406 259 HZ1 LYS 35 HZ1 LYS 35 13.176 1.555 1.290 260 HZ2 LYS 35 HZ2 LYS 35 12.721 0.194 0.545 261 HZ3 LYS 35 HZ3 LYS 35 12.336 0.426 2.147 262 H ALA 36 H ALA 36 5.688 -2.398 0.343 263 HA ALA 36 HA ALA 36 5.346 -3.761 -2.161 264 HB1 ALA 36 HB1 ALA 36 4.815 -4.740 0.045 265 HB2 ALA 36 HB2 ALA 36 3.492 -3.574 0.258 266 HB3 ALA 36 HB3 ALA 36 3.414 -4.790 -1.039 267 H ARG 37 H ARG 37 3.428 -1.117 -0.653 268 HA ARG 37 HA ARG 37 1.461 -0.784 -2.661 269 HB2 ARG 37 HB2 ARG 37 1.327 0.295 -0.466 270 HB3 ARG 37 HB3 ARG 37 2.797 1.195 -0.792 271 HG2 ARG 37 HG2 ARG 37 1.495 2.317 -2.754 272 HG3 ARG 37 HG3 ARG 37 0.057 1.567 -2.051 273 HD2 ARG 37 HD2 ARG 37 0.286 3.857 -1.264 274 HD3 ARG 37 HD3 ARG 37 0.558 2.747 0.086 275 HE ARG 37 HE ARG 37 3.085 3.132 -0.785 276 HH11 ARG 37 HH11 ARG 37 0.566 5.548 -0.038 277 HH12 ARG 37 HH12 ARG 37 1.740 6.757 0.434 278 HH21 ARG 37 HH21 ARG 37 4.546 4.718 -0.131 279 HH22 ARG 37 HH22 ARG 37 3.974 6.283 0.405 280 H ASP 38 H ASP 38 4.602 0.925 -2.319 281 HA ASP 38 HA ASP 38 4.412 2.546 -4.616 282 HB2 ASP 38 HB2 ASP 38 6.807 1.404 -3.126 283 HB3 ASP 38 HB3 ASP 38 6.955 2.586 -4.424 284 H ALA 39 H ALA 39 5.846 -0.734 -4.198 285 HA ALA 39 HA ALA 39 6.619 -1.004 -6.951 286 HB1 ALA 39 HB1 ALA 39 7.613 -2.257 -5.065 287 HB2 ALA 39 HB2 ALA 39 6.083 -3.144 -4.856 288 HB3 ALA 39 HB3 ALA 39 7.029 -3.309 -6.358 289 H CYS 40 H CYS 40 3.533 -1.832 -5.261 290 HA CYS 40 HA CYS 40 2.418 -3.145 -7.588 291 HB2 CYS 40 HB2 CYS 40 1.661 -3.440 -5.210 292 HB3 CYS 40 HB3 CYS 40 0.961 -1.824 -5.252 293 H ILE 41 H ILE 41 2.194 0.242 -6.349 294 HA ILE 41 HA ILE 41 0.664 1.240 -8.563 295 HB ILE 41 HB ILE 41 2.350 2.463 -6.397 296 HG12 ILE 41 HG12 ILE 41 0.265 3.779 -6.039 297 HG13 ILE 41 HG13 ILE 41 -0.462 3.019 -7.453 298 HG21 ILE 41 HG21 ILE 41 1.990 4.738 -7.276 299 HG22 ILE 41 HG22 ILE 41 3.058 3.820 -8.327 300 HG23 ILE 41 HG23 ILE 41 1.360 4.072 -8.795 301 HD11 ILE 41 HD11 ILE 41 -0.469 0.839 -6.280 302 HD12 ILE 41 HD12 ILE 41 0.295 1.611 -4.866 303 HD13 ILE 41 HD13 ILE 41 -1.328 2.088 -5.370 304 H ILE 42 H ILE 42 4.172 0.629 -8.254 305 HA ILE 42 HA ILE 42 4.803 1.791 -10.847 306 HB ILE 42 HB ILE 42 6.226 -0.071 -8.952 307 HG12 ILE 42 HG12 ILE 42 7.008 2.647 -10.110 308 HG13 ILE 42 HG13 ILE 42 6.054 2.476 -8.647 309 HG21 ILE 42 HG21 ILE 42 8.219 -0.082 -10.407 310 HG22 ILE 42 HG22 ILE 42 6.894 -0.913 -11.182 311 HG23 ILE 42 HG23 ILE 42 7.308 0.748 -11.679 312 HD11 ILE 42 HD11 ILE 42 8.365 2.846 -8.043 313 HD12 ILE 42 HD12 ILE 42 7.913 1.194 -7.580 314 HD13 ILE 42 HD13 ILE 42 8.912 1.491 -9.026 315 H GLU 43 H GLU 43 3.894 -1.564 -9.909 316 HA GLU 43 HA GLU 43 4.208 -2.456 -12.687 317 HB2 GLU 43 HB2 GLU 43 3.282 -3.827 -10.147 318 HB3 GLU 43 HB3 GLU 43 3.342 -4.622 -11.734 319 HG2 GLU 43 HG2 GLU 43 5.850 -3.729 -11.751 320 HG3 GLU 43 HG3 GLU 43 5.601 -3.683 -9.993 321 H LYS 44 H LYS 44 1.360 -1.873 -10.619 322 HA LYS 44 HA LYS 44 -0.467 -2.535 -12.911 323 HB2 LYS 44 HB2 LYS 44 -1.378 -2.604 -10.063 324 HB3 LYS 44 HB3 LYS 44 -1.994 -3.445 -11.477 325 HG2 LYS 44 HG2 LYS 44 0.106 -4.910 -11.378 326 HG3 LYS 44 HG3 LYS 44 0.450 -4.148 -9.812 327 HD2 LYS 44 HD2 LYS 44 -1.854 -4.834 -9.032 328 HD3 LYS 44 HD3 LYS 44 -2.070 -5.707 -10.559 329 HE2 LYS 44 HE2 LYS 44 -0.040 -7.089 -9.995 330 HE3 LYS 44 HE3 LYS 44 0.055 -6.246 -8.442 331 HZ1 LYS 44 HZ1 LYS 44 -2.299 -7.065 -8.060 332 HZ2 LYS 44 HZ2 LYS 44 -1.144 -8.262 -8.086 333 HZ3 LYS 44 HZ3 LYS 44 -2.140 -8.025 -9.363 334 H GLY 45 H GLY 45 0.229 -0.114 -10.456 335 HA2 GLY 45 HA2 GLY 45 -0.391 2.172 -10.600 336 HA3 GLY 45 HA3 GLY 45 -1.576 1.776 -11.829 337 H GLU 46 H GLU 46 -2.391 3.534 -10.076 338 HA GLU 46 HA GLU 46 -3.095 2.657 -7.437 339 HB2 GLU 46 HB2 GLU 46 -4.158 5.005 -9.067 340 HB3 GLU 46 HB3 GLU 46 -4.448 4.746 -7.342 341 HG2 GLU 46 HG2 GLU 46 -1.963 4.788 -6.966 342 HG3 GLU 46 HG3 GLU 46 -1.757 5.250 -8.665 343 H GLU 47 H GLU 47 -4.999 2.632 -10.411 344 HA GLU 47 HA GLU 47 -7.465 1.934 -8.996 345 HB2 GLU 47 HB2 GLU 47 -8.536 2.032 -11.188 346 HB3 GLU 47 HB3 GLU 47 -7.627 3.483 -10.787 347 HG2 GLU 47 HG2 GLU 47 -5.745 2.675 -12.246 348 HG3 GLU 47 HG3 GLU 47 -6.746 1.288 -12.704 349 H HIS 48 H HIS 48 -4.913 0.044 -9.528 350 HA HIS 48 HA HIS 48 -6.583 -2.428 -9.739 351 HB2 HIS 48 HB2 HIS 48 -3.772 -2.037 -10.788 352 HB3 HIS 48 HB3 HIS 48 -4.723 -3.518 -10.894 353 HD1 HIS 48 HD1 HIS 48 -3.868 -0.582 -12.876 354 HD2 HIS 48 HD2 HIS 48 -7.076 -3.264 -12.517 355 HE1 HIS 48 HE1 HIS 48 -5.312 -0.244 -14.957 356 H CYS 49 H CYS 49 -4.749 -0.689 -7.577 357 HA CYS 49 HA CYS 49 -3.721 -3.111 -6.142 358 HB2 CYS 49 HB2 CYS 49 -2.720 -0.256 -6.214 359 HB3 CYS 49 HB3 CYS 49 -2.095 -1.488 -5.118 360 H GLY 50 H GLY 50 -6.500 -2.072 -5.878 361 HA2 GLY 50 HA2 GLY 50 -6.821 -0.245 -3.784 362 HA3 GLY 50 HA3 GLY 50 -8.037 -1.411 -4.301 363 H HIS 51 H HIS 51 -6.505 -3.804 -3.491 364 HA HIS 51 HA HIS 51 -7.260 -3.850 -0.673 365 HB2 HIS 51 HB2 HIS 51 -7.544 -5.744 -2.320 366 HB3 HIS 51 HB3 HIS 51 -5.798 -5.973 -2.291 367 HD1 HIS 51 HD1 HIS 51 -8.851 -7.074 -0.550 368 HD2 HIS 51 HD2 HIS 51 -4.739 -6.681 0.247 369 HE1 HIS 51 HE1 HIS 51 -8.382 -8.500 1.516 370 H LEU 52 H LEU 52 -4.184 -3.739 -2.498 371 HA LEU 52 HA LEU 52 -2.405 -3.894 -0.267 372 HB2 LEU 52 HB2 LEU 52 -2.049 -3.958 -2.930 373 HB3 LEU 52 HB3 LEU 52 -1.830 -2.234 -2.746 374 HG LEU 52 HG LEU 52 0.319 -3.134 -2.742 375 HD11 LEU 52 HD11 LEU 52 -0.022 -1.527 -0.838 376 HD12 LEU 52 HD12 LEU 52 1.286 -2.698 -0.567 377 HD13 LEU 52 HD13 LEU 52 -0.256 -2.927 0.238 378 HD21 LEU 52 HD21 LEU 52 -0.292 -5.497 -2.437 379 HD22 LEU 52 HD22 LEU 52 -0.562 -5.214 -0.706 380 HD23 LEU 52 HD23 LEU 52 1.062 -5.038 -1.397 381 H ILE 53 H ILE 53 -3.839 -1.088 -1.973 382 HA ILE 53 HA ILE 53 -2.773 1.004 -0.379 383 HB ILE 53 HB ILE 53 -5.330 0.753 -1.969 384 HG12 ILE 53 HG12 ILE 53 -2.816 2.384 -2.570 385 HG13 ILE 53 HG13 ILE 53 -2.965 0.701 -3.066 386 HG21 ILE 53 HG21 ILE 53 -5.744 2.495 -0.298 387 HG22 ILE 53 HG22 ILE 53 -4.179 3.259 -0.656 388 HG23 ILE 53 HG23 ILE 53 -5.484 3.243 -1.860 389 HD11 ILE 53 HD11 ILE 53 -5.084 1.262 -4.267 390 HD12 ILE 53 HD12 ILE 53 -4.758 2.982 -3.943 391 HD13 ILE 53 HD13 ILE 53 -3.629 2.035 -4.928 392 H GLU 54 H GLU 54 -5.798 -0.867 0.024 393 HA GLU 54 HA GLU 54 -6.693 0.392 2.413 394 HB2 GLU 54 HB2 GLU 54 -8.034 -0.988 0.856 395 HB3 GLU 54 HB3 GLU 54 -7.260 -2.445 1.497 396 HG2 GLU 54 HG2 GLU 54 -8.163 -1.992 3.712 397 HG3 GLU 54 HG3 GLU 54 -8.793 -0.421 3.186 398 H ALA 55 H ALA 55 -4.559 -2.448 1.986 399 HA ALA 55 HA ALA 55 -4.313 -3.096 4.782 400 HB1 ALA 55 HB1 ALA 55 -2.285 -4.346 4.026 401 HB2 ALA 55 HB2 ALA 55 -3.725 -4.691 3.025 402 HB3 ALA 55 HB3 ALA 55 -2.448 -3.615 2.422 403 H HIS 56 H HIS 56 -2.277 -1.068 2.620 404 HA HIS 56 HA HIS 56 -0.394 -0.332 4.628 405 HB2 HIS 56 HB2 HIS 56 0.614 0.482 2.839 406 HB3 HIS 56 HB3 HIS 56 -0.782 0.144 1.855 407 HD1 HIS 56 HD1 HIS 56 -2.561 2.312 1.606 408 HD2 HIS 56 HD2 HIS 56 1.251 2.990 3.256 409 HE1 HIS 56 HE1 HIS 56 -2.087 4.811 1.337 410 H LYS 57 H LYS 57 -3.460 1.302 3.650 411 HA LYS 57 HA LYS 57 -2.990 3.462 5.527 412 HB2 LYS 57 HB2 LYS 57 -4.964 4.412 4.781 413 HB3 LYS 57 HB3 LYS 57 -4.278 3.583 3.378 414 HG2 LYS 57 HG2 LYS 57 -5.830 1.651 3.871 415 HG3 LYS 57 HG3 LYS 57 -6.627 2.669 5.077 416 HD2 LYS 57 HD2 LYS 57 -6.514 3.034 2.066 417 HD3 LYS 57 HD3 LYS 57 -7.936 2.787 3.091 418 HE2 LYS 57 HE2 LYS 57 -7.374 5.057 4.175 419 HE3 LYS 57 HE3 LYS 57 -6.166 5.258 2.892 420 HZ1 LYS 57 HZ1 LYS 57 -8.005 6.271 2.028 421 HZ2 LYS 57 HZ2 LYS 57 -9.087 5.214 2.671 422 HZ3 LYS 57 HZ3 LYS 57 -8.163 4.784 1.353 423 H GLU 58 H GLU 58 -4.822 0.433 5.818 424 HA GLU 58 HA GLU 58 -5.774 1.087 8.504 425 HB2 GLU 58 HB2 GLU 58 -5.541 -1.545 7.015 426 HB3 GLU 58 HB3 GLU 58 -6.181 -1.394 8.659 427 HG2 GLU 58 HG2 GLU 58 -7.874 0.239 7.867 428 HG3 GLU 58 HG3 GLU 58 -7.330 0.016 6.207 429 H SER 59 H SER 59 -2.788 -0.500 7.303 430 HA SER 59 HA SER 59 -1.686 -1.032 9.929 431 HB2 SER 59 HB2 SER 59 -0.834 -1.854 7.642 432 HB3 SER 59 HB3 SER 59 -0.102 -0.248 7.462 433 HG SER 59 HG SER 59 0.350 -2.185 9.529 434 H MET 60 H MET 60 -1.583 1.870 7.787 435 HA MET 60 HA MET 60 -0.209 3.506 9.649 436 HB2 MET 60 HB2 MET 60 -0.745 3.819 7.093 437 HB3 MET 60 HB3 MET 60 -2.183 4.634 7.689 438 HG2 MET 60 HG2 MET 60 -0.467 6.290 7.342 439 HG3 MET 60 HG3 MET 60 -0.669 6.102 9.084 440 HE1 MET 60 HE1 MET 60 2.965 4.662 6.590 441 HE2 MET 60 HE2 MET 60 1.431 3.777 6.509 442 HE3 MET 60 HE3 MET 60 1.517 5.466 5.948 443 H ARG 61 H ARG 61 -3.723 2.867 9.386 444 HA ARG 61 HA ARG 61 -4.528 4.634 11.496 445 HB2 ARG 61 HB2 ARG 61 -5.996 3.451 9.833 446 HB3 ARG 61 HB3 ARG 61 -5.772 1.964 10.760 447 HG2 ARG 61 HG2 ARG 61 -6.804 3.046 12.747 448 HG3 ARG 61 HG3 ARG 61 -6.961 4.558 11.838 449 HD2 ARG 61 HD2 ARG 61 -9.097 3.409 11.843 450 HD3 ARG 61 HD3 ARG 61 -8.436 3.401 10.200 451 HE ARG 61 HE ARG 61 -7.827 1.043 11.850 452 HH11 ARG 61 HH11 ARG 61 -10.045 2.397 9.403 453 HH12 ARG 61 HH12 ARG 61 -10.588 0.817 8.880 454 HH21 ARG 61 HH21 ARG 61 -8.582 -0.970 11.159 455 HH22 ARG 61 HH22 ARG 61 -9.766 -1.082 9.876 456 H ALA 62 H ALA 62 -3.113 1.347 11.588 457 HA ALA 62 HA ALA 62 -3.177 1.215 14.480 458 HB1 ALA 62 HB1 ALA 62 -1.760 -0.710 14.275 459 HB2 ALA 62 HB2 ALA 62 -3.040 -0.785 13.054 460 HB3 ALA 62 HB3 ALA 62 -1.386 -0.333 12.587 461 H LEU 63 H LEU 63 -1.282 3.371 12.555 462 HA LEU 63 HA LEU 63 0.498 3.810 14.920 463 HB2 LEU 63 HB2 LEU 63 0.427 5.149 12.184 464 HB3 LEU 63 HB3 LEU 63 1.323 5.762 13.558 465 HG LEU 63 HG LEU 63 2.916 4.696 12.278 466 HD11 LEU 63 HD11 LEU 63 2.170 2.619 14.375 467 HD12 LEU 63 HD12 LEU 63 3.120 4.099 14.652 468 HD13 LEU 63 HD13 LEU 63 3.730 2.811 13.579 469 HD21 LEU 63 HD21 LEU 63 1.099 2.289 12.063 470 HD22 LEU 63 HD22 LEU 63 2.761 2.399 11.427 471 HD23 LEU 63 HD23 LEU 63 1.506 3.459 10.788 472 H GLY 64 H GLY 64 -2.428 4.928 13.471 473 HA2 GLY 64 HA2 GLY 64 -4.164 5.884 14.633 474 HA3 GLY 64 HA3 GLY 64 -3.072 6.374 15.924 475 H PHE 65 H PHE 65 -1.538 7.600 13.332 476 HA PHE 65 HA PHE 65 -2.789 10.255 13.797 477 HB2 PHE 65 HB2 PHE 65 -0.542 11.130 13.282 478 HB3 PHE 65 HB3 PHE 65 -0.687 10.092 14.673 479 HD1 PHE 65 HD1 PHE 65 -0.212 8.953 11.072 480 HD2 PHE 65 HD2 PHE 65 1.514 9.401 15.005 481 HE1 PHE 65 HE1 PHE 65 1.746 7.633 10.369 482 HE2 PHE 65 HE2 PHE 65 3.490 8.094 14.274 483 HZ PHE 65 HZ PHE 65 3.611 7.209 11.950 484 H LYS 66 H LYS 66 -3.773 8.423 11.675 485 HA LYS 66 HA LYS 66 -3.112 10.022 9.209 486 HB2 LYS 66 HB2 LYS 66 -1.935 7.920 9.276 487 HB3 LYS 66 HB3 LYS 66 -3.403 7.012 9.583 488 HG2 LYS 66 HG2 LYS 66 -2.820 6.715 7.295 489 HG3 LYS 66 HG3 LYS 66 -4.246 7.707 7.287 490 HD2 LYS 66 HD2 LYS 66 -1.536 9.068 7.179 491 HD3 LYS 66 HD3 LYS 66 -2.098 8.177 5.767 492 HE2 LYS 66 HE2 LYS 66 -4.199 9.510 5.741 493 HE3 LYS 66 HE3 LYS 66 -3.568 10.490 7.072 494 HZ1 LYS 66 HZ1 LYS 66 -1.704 11.117 5.645 495 HZ2 LYS 66 HZ2 LYS 66 -3.122 11.544 4.971 496 HZ3 LYS 66 HZ3 LYS 66 -2.282 10.230 4.401 497 H ILE 67 H ILE 67 -5.705 7.873 10.475 498 HA ILE 67 HA ILE 67 -7.703 9.531 9.022 499 HB ILE 67 HB ILE 67 -8.932 7.365 8.435 500 HG12 ILE 67 HG12 ILE 67 -6.125 6.166 8.518 501 HG13 ILE 67 HG13 ILE 67 -7.403 5.816 9.686 502 HG21 ILE 67 HG21 ILE 67 -7.955 9.014 6.853 503 HG22 ILE 67 HG22 ILE 67 -6.431 8.114 6.866 504 HG23 ILE 67 HG23 ILE 67 -7.908 7.370 6.226 505 HD11 ILE 67 HD11 ILE 67 -7.334 4.039 8.035 506 HD12 ILE 67 HD12 ILE 67 -8.837 4.953 7.818 507 HD13 ILE 67 HD13 ILE 67 -7.469 5.189 6.703 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -1.156 17.799 0.701 2 H2 GLY 1 H2 GLY 1 -1.933 16.417 0.276 3 H3 GLY 1 H3 GLY 1 -2.047 16.973 1.826 4 HA2 GLY 1 HA2 GLY 1 -3.041 18.404 -0.554 5 HA3 GLY 1 HA3 GLY 1 -4.048 17.376 0.490 6 H SER 2 H SER 2 -5.387 18.811 1.498 7 HA SER 2 HA SER 2 -4.282 21.284 2.691 8 HB2 SER 2 HB2 SER 2 -6.554 21.938 3.054 9 HB3 SER 2 HB3 SER 2 -6.388 21.350 1.393 10 HG SER 2 HG SER 2 -8.253 20.586 2.569 11 H PHE 3 H PHE 3 -4.492 18.136 3.825 12 HA PHE 3 HA PHE 3 -4.589 19.085 6.639 13 HB2 PHE 3 HB2 PHE 3 -5.976 17.184 7.277 14 HB3 PHE 3 HB3 PHE 3 -6.799 18.282 6.191 15 HD1 PHE 3 HD1 PHE 3 -7.278 17.627 3.820 16 HD2 PHE 3 HD2 PHE 3 -5.540 14.859 6.633 17 HE1 PHE 3 HE1 PHE 3 -7.821 15.741 2.303 18 HE2 PHE 3 HE2 PHE 3 -6.087 12.979 5.111 19 HZ PHE 3 HZ PHE 3 -7.209 13.414 2.937 20 H THR 4 H THR 4 -2.946 18.539 7.772 21 HA THR 4 HA THR 4 -1.502 15.963 7.376 22 HB THR 4 HB THR 4 -0.061 18.623 7.720 23 HG1 THR 4 HG1 THR 4 -0.828 18.685 5.742 24 HG21 THR 4 HG21 THR 4 1.932 17.329 7.153 25 HG22 THR 4 HG22 THR 4 0.955 15.860 6.928 26 HG23 THR 4 HG23 THR 4 1.141 16.590 8.541 27 H MET 5 H MET 5 -1.380 14.972 9.290 28 HA MET 5 HA MET 5 -2.045 16.528 11.703 29 HB2 MET 5 HB2 MET 5 -2.413 13.609 10.984 30 HB3 MET 5 HB3 MET 5 -2.673 14.244 12.605 31 HG2 MET 5 HG2 MET 5 -4.785 14.184 11.618 32 HG3 MET 5 HG3 MET 5 -4.331 15.877 11.689 33 HE1 MET 5 HE1 MET 5 -6.506 16.273 10.129 34 HE2 MET 5 HE2 MET 5 -6.785 15.371 8.622 35 HE3 MET 5 HE3 MET 5 -6.752 14.514 10.174 36 HA PRO 6 HA PRO 6 1.764 15.801 13.826 37 HB2 PRO 6 HB2 PRO 6 0.073 15.090 16.225 38 HB3 PRO 6 HB3 PRO 6 1.456 16.221 16.114 39 HG2 PRO 6 HG2 PRO 6 -1.062 17.183 16.151 40 HG3 PRO 6 HG3 PRO 6 0.134 17.857 14.991 41 HD2 PRO 6 HD2 PRO 6 -2.017 15.785 14.476 42 HD3 PRO 6 HD3 PRO 6 -1.570 17.234 13.530 43 H GLY 7 H GLY 7 2.925 14.328 15.356 44 HA2 GLY 7 HA2 GLY 7 3.104 12.030 16.295 45 HA3 GLY 7 HA3 GLY 7 2.436 11.415 14.780 46 H LEU 8 H LEU 8 4.520 14.043 14.235 47 HA LEU 8 HA LEU 8 6.625 12.296 13.115 48 HB2 LEU 8 HB2 LEU 8 6.158 15.291 12.946 49 HB3 LEU 8 HB3 LEU 8 7.473 14.405 12.196 50 HG LEU 8 HG LEU 8 5.930 14.902 10.545 51 HD11 LEU 8 HD11 LEU 8 5.447 12.779 9.565 52 HD12 LEU 8 HD12 LEU 8 5.532 11.956 11.135 53 HD13 LEU 8 HD13 LEU 8 6.996 12.672 10.417 54 HD21 LEU 8 HD21 LEU 8 3.692 13.382 11.927 55 HD22 LEU 8 HD22 LEU 8 3.628 14.294 10.420 56 HD23 LEU 8 HD23 LEU 8 3.862 15.157 11.946 57 H VAL 9 H VAL 9 7.175 11.527 15.224 58 HA VAL 9 HA VAL 9 8.153 13.131 17.353 59 HB VAL 9 HB VAL 9 8.871 10.222 16.955 60 HG11 VAL 9 HG11 VAL 9 8.362 11.897 19.456 61 HG12 VAL 9 HG12 VAL 9 8.814 10.181 19.413 62 HG13 VAL 9 HG13 VAL 9 9.962 11.403 18.865 63 HG21 VAL 9 HG21 VAL 9 6.455 10.303 16.654 64 HG22 VAL 9 HG22 VAL 9 6.793 9.716 18.279 65 HG23 VAL 9 HG23 VAL 9 6.276 11.398 18.049 66 H ASP 10 H ASP 10 9.562 14.542 16.058 67 HA ASP 10 HA ASP 10 12.162 13.626 15.257 68 HB2 ASP 10 HB2 ASP 10 12.799 15.844 14.923 69 HB3 ASP 10 HB3 ASP 10 11.160 15.661 14.347 70 H SER 11 H SER 11 13.307 12.533 16.623 71 HA SER 11 HA SER 11 14.135 13.626 19.241 72 HB2 SER 11 HB2 SER 11 15.650 11.576 19.215 73 HB3 SER 11 HB3 SER 11 13.910 11.295 19.308 74 HG SER 11 HG SER 11 13.952 10.310 17.507 75 H ASN 12 H ASN 12 16.350 14.085 19.713 76 HA ASN 12 HA ASN 12 17.811 15.293 17.409 77 HB2 ASN 12 HB2 ASN 12 18.203 17.230 18.764 78 HB3 ASN 12 HB3 ASN 12 16.483 16.885 18.748 79 HD21 ASN 12 HD21 ASN 12 17.911 18.485 20.719 80 HD22 ASN 12 HD22 ASN 12 17.574 17.672 22.250 81 HA PRO 13 HA PRO 13 21.173 13.332 20.175 82 HB2 PRO 13 HB2 PRO 13 21.429 10.699 19.581 83 HB3 PRO 13 HB3 PRO 13 20.291 11.289 20.834 84 HG2 PRO 13 HG2 PRO 13 19.695 10.586 17.946 85 HG3 PRO 13 HG3 PRO 13 18.819 10.064 19.427 86 HD2 PRO 13 HD2 PRO 13 18.005 12.175 17.883 87 HD3 PRO 13 HD3 PRO 13 17.776 12.131 19.661 88 H ALA 14 H ALA 14 23.263 12.426 19.316 89 HA ALA 14 HA ALA 14 24.156 14.000 17.267 90 HB1 ALA 14 HB1 ALA 14 25.576 13.037 18.967 91 HB2 ALA 14 HB2 ALA 14 25.361 11.410 18.293 92 HB3 ALA 14 HB3 ALA 14 26.230 12.654 17.365 93 HA PRO 15 HA PRO 15 22.349 11.874 13.826 94 HB2 PRO 15 HB2 PRO 15 22.895 13.616 11.787 95 HB3 PRO 15 HB3 PRO 15 21.804 14.019 13.148 96 HG2 PRO 15 HG2 PRO 15 24.758 14.687 12.866 97 HG3 PRO 15 HG3 PRO 15 23.407 15.805 13.249 98 HD2 PRO 15 HD2 PRO 15 24.933 14.707 15.207 99 HD3 PRO 15 HD3 PRO 15 23.170 14.925 15.425 100 HA PRO 16 HA PRO 16 25.339 9.522 11.455 101 HB2 PRO 16 HB2 PRO 16 24.064 9.059 9.074 102 HB3 PRO 16 HB3 PRO 16 23.586 8.285 10.616 103 HG2 PRO 16 HG2 PRO 16 22.376 10.744 9.323 104 HG3 PRO 16 HG3 PRO 16 21.535 9.307 9.984 105 HD2 PRO 16 HD2 PRO 16 21.813 11.587 11.428 106 HD3 PRO 16 HD3 PRO 16 21.927 9.984 12.210 107 H GLU 17 H GLU 17 26.773 9.574 9.674 108 HA GLU 17 HA GLU 17 26.995 11.973 7.985 109 HB2 GLU 17 HB2 GLU 17 29.229 12.506 8.708 110 HB3 GLU 17 HB3 GLU 17 28.183 12.536 10.126 111 HG2 GLU 17 HG2 GLU 17 28.997 10.239 10.744 112 HG3 GLU 17 HG3 GLU 17 30.054 10.249 9.323 113 H SER 18 H SER 18 28.451 11.638 6.192 114 HA SER 18 HA SER 18 30.314 9.476 6.260 115 HB2 SER 18 HB2 SER 18 29.636 8.237 4.255 116 HB3 SER 18 HB3 SER 18 28.485 8.054 5.570 117 HG SER 18 HG SER 18 28.156 9.184 3.095 118 H GLN 19 H GLN 19 31.999 9.705 4.754 119 HA GLN 19 HA GLN 19 32.253 12.429 3.734 120 HB2 GLN 19 HB2 GLN 19 34.174 10.072 3.664 121 HB3 GLN 19 HB3 GLN 19 34.552 11.707 3.132 122 HG2 GLN 19 HG2 GLN 19 35.461 11.658 5.263 123 HG3 GLN 19 HG3 GLN 19 33.943 12.502 5.501 124 HE21 GLN 19 HE21 GLN 19 35.771 9.502 6.178 125 HE22 GLN 19 HE22 GLN 19 34.643 8.934 7.390 126 H GLU 20 H GLU 20 31.115 9.603 2.364 127 HA GLU 20 HA GLU 20 30.712 10.926 -0.205 128 HB2 GLU 20 HB2 GLU 20 31.245 9.006 -1.561 129 HB3 GLU 20 HB3 GLU 20 32.672 9.576 -0.718 130 HG2 GLU 20 HG2 GLU 20 31.013 7.129 0.015 131 HG3 GLU 20 HG3 GLU 20 32.549 7.117 -0.838 132 H LYS 21 H LYS 21 28.856 9.868 -1.402 133 HA LYS 21 HA LYS 21 26.785 10.015 0.463 134 HB2 LYS 21 HB2 LYS 21 26.643 10.772 -1.848 135 HB3 LYS 21 HB3 LYS 21 26.558 9.094 -2.418 136 HG2 LYS 21 HG2 LYS 21 24.426 8.762 -1.284 137 HG3 LYS 21 HG3 LYS 21 24.576 10.314 -0.439 138 HD2 LYS 21 HD2 LYS 21 24.428 11.525 -2.578 139 HD3 LYS 21 HD3 LYS 21 24.280 9.986 -3.457 140 HE2 LYS 21 HE2 LYS 21 22.181 9.472 -2.339 141 HE3 LYS 21 HE3 LYS 21 22.371 10.842 -1.235 142 HZ1 LYS 21 HZ1 LYS 21 21.976 11.070 -4.168 143 HZ2 LYS 21 HZ2 LYS 21 22.164 12.337 -3.129 144 HZ3 LYS 21 HZ3 LYS 21 20.848 11.374 -3.014 145 H LYS 22 H LYS 22 25.827 8.692 1.792 146 HA LYS 22 HA LYS 22 25.890 5.729 1.296 147 HB2 LYS 22 HB2 LYS 22 27.180 6.419 3.232 148 HB3 LYS 22 HB3 LYS 22 25.774 7.197 3.947 149 HG2 LYS 22 HG2 LYS 22 24.756 5.215 4.528 150 HG3 LYS 22 HG3 LYS 22 25.420 4.316 3.166 151 HD2 LYS 22 HD2 LYS 22 27.096 5.171 5.550 152 HD3 LYS 22 HD3 LYS 22 26.290 3.596 5.397 153 HE2 LYS 22 HE2 LYS 22 27.487 3.200 3.248 154 HE3 LYS 22 HE3 LYS 22 28.350 4.723 3.444 155 HZ1 LYS 22 HZ1 LYS 22 29.320 3.827 5.495 156 HZ2 LYS 22 HZ2 LYS 22 29.688 2.868 4.214 157 HZ3 LYS 22 HZ3 LYS 22 28.527 2.388 5.276 158 HA PRO 23 HA PRO 23 21.561 6.524 0.561 159 HB2 PRO 23 HB2 PRO 23 20.565 3.925 0.522 160 HB3 PRO 23 HB3 PRO 23 21.433 4.711 -0.829 161 HG2 PRO 23 HG2 PRO 23 22.564 2.880 1.296 162 HG3 PRO 23 HG3 PRO 23 22.827 2.818 -0.477 163 HD2 PRO 23 HD2 PRO 23 24.641 3.949 1.148 164 HD3 PRO 23 HD3 PRO 23 24.246 4.729 -0.408 165 H LEU 24 H LEU 24 19.665 6.798 1.700 166 HA LEU 24 HA LEU 24 19.948 6.684 4.565 167 HB2 LEU 24 HB2 LEU 24 19.035 8.603 3.321 168 HB3 LEU 24 HB3 LEU 24 17.672 7.623 2.785 169 HG LEU 24 HG LEU 24 16.874 7.443 5.129 170 HD11 LEU 24 HD11 LEU 24 19.016 7.669 6.370 171 HD12 LEU 24 HD12 LEU 24 17.858 8.895 6.878 172 HD13 LEU 24 HD13 LEU 24 19.183 9.336 5.779 173 HD21 LEU 24 HD21 LEU 24 16.198 9.794 5.383 174 HD22 LEU 24 HD22 LEU 24 16.078 9.270 3.695 175 HD23 LEU 24 HD23 LEU 24 17.438 10.292 4.213 176 H LYS 25 H LYS 25 18.646 5.698 6.095 177 HA LYS 25 HA LYS 25 16.909 3.437 5.231 178 HB2 LYS 25 HB2 LYS 25 18.722 3.775 7.632 179 HB3 LYS 25 HB3 LYS 25 17.345 2.666 7.674 180 HG2 LYS 25 HG2 LYS 25 18.156 1.484 5.699 181 HG3 LYS 25 HG3 LYS 25 19.550 2.554 5.575 182 HD2 LYS 25 HD2 LYS 25 18.943 0.802 7.996 183 HD3 LYS 25 HD3 LYS 25 19.935 0.265 6.652 184 HE2 LYS 25 HE2 LYS 25 20.576 2.691 8.389 185 HE3 LYS 25 HE3 LYS 25 21.241 1.070 8.633 186 HZ1 LYS 25 HZ1 LYS 25 22.171 1.231 6.358 187 HZ2 LYS 25 HZ2 LYS 25 22.794 2.355 7.372 188 HZ3 LYS 25 HZ3 LYS 25 21.667 2.803 6.274 189 HA PRO 26 HA PRO 26 13.628 5.807 7.268 190 HB2 PRO 26 HB2 PRO 26 11.610 3.969 7.141 191 HB3 PRO 26 HB3 PRO 26 12.194 4.863 5.703 192 HG2 PRO 26 HG2 PRO 26 13.006 2.082 6.611 193 HG3 PRO 26 HG3 PRO 26 12.472 2.594 4.977 194 HD2 PRO 26 HD2 PRO 26 15.094 2.366 5.604 195 HD3 PRO 26 HD3 PRO 26 14.524 3.686 4.552 196 H CYS 27 H CYS 27 12.408 5.677 9.251 197 HA CYS 27 HA CYS 27 13.106 3.606 11.259 198 HB2 CYS 27 HB2 CYS 27 14.970 5.221 11.287 199 HB3 CYS 27 HB3 CYS 27 13.832 6.568 11.447 200 HG CYS 27 HG CYS 27 15.160 6.053 13.705 201 H CYS 28 H CYS 28 11.672 3.587 13.044 202 HA CYS 28 HA CYS 28 9.634 3.706 14.030 203 HB2 CYS 28 HB2 CYS 28 10.918 5.718 14.813 204 HB3 CYS 28 HB3 CYS 28 9.989 6.695 13.653 205 HG CYS 28 HG CYS 28 7.624 5.814 14.566 206 H ALA 29 H ALA 29 9.326 3.103 11.332 207 HA ALA 29 HA ALA 29 6.623 4.141 10.703 208 HB1 ALA 29 HB1 ALA 29 8.304 5.655 9.624 209 HB2 ALA 29 HB2 ALA 29 8.999 4.252 8.783 210 HB3 ALA 29 HB3 ALA 29 7.334 4.771 8.444 211 H SER 30 H SER 30 5.894 2.979 8.524 212 HA SER 30 HA SER 30 6.637 0.086 8.675 213 HB2 SER 30 HB2 SER 30 3.993 1.390 7.982 214 HB3 SER 30 HB3 SER 30 4.346 -0.346 7.830 215 HG SER 30 HG SER 30 4.749 -0.470 9.986 216 HA PRO 31 HA PRO 31 8.036 1.930 4.576 217 HB2 PRO 31 HB2 PRO 31 10.483 0.691 4.439 218 HB3 PRO 31 HB3 PRO 31 10.191 2.210 5.337 219 HG2 PRO 31 HG2 PRO 31 10.162 -0.621 6.457 220 HG3 PRO 31 HG3 PRO 31 11.100 0.789 7.056 221 HD2 PRO 31 HD2 PRO 31 8.764 0.182 8.177 222 HD3 PRO 31 HD3 PRO 31 9.131 1.893 7.797 223 H GLU 32 H GLU 32 7.761 -1.361 5.829 224 HA GLU 32 HA GLU 32 8.081 -2.886 3.458 225 HB2 GLU 32 HB2 GLU 32 5.994 -3.336 5.648 226 HB3 GLU 32 HB3 GLU 32 6.651 -4.508 4.522 227 HG2 GLU 32 HG2 GLU 32 7.976 -5.062 6.243 228 HG3 GLU 32 HG3 GLU 32 8.978 -3.740 5.658 229 H THR 33 H THR 33 5.231 -1.160 4.738 230 HA THR 33 HA THR 33 3.501 -1.914 2.553 231 HB THR 33 HB THR 33 1.912 -0.273 3.416 232 HG1 THR 33 HG1 THR 33 4.063 0.507 5.099 233 HG21 THR 33 HG21 THR 33 1.965 -2.487 4.465 234 HG22 THR 33 HG22 THR 33 1.517 -1.226 5.623 235 HG23 THR 33 HG23 THR 33 3.156 -1.913 5.658 236 H LYS 34 H LYS 34 5.758 0.720 2.997 237 HA LYS 34 HA LYS 34 4.779 2.322 0.748 238 HB2 LYS 34 HB2 LYS 34 5.759 3.789 2.097 239 HB3 LYS 34 HB3 LYS 34 6.722 2.581 2.916 240 HG2 LYS 34 HG2 LYS 34 8.196 4.154 2.035 241 HG3 LYS 34 HG3 LYS 34 8.399 2.695 1.071 242 HD2 LYS 34 HD2 LYS 34 7.002 3.753 -0.734 243 HD3 LYS 34 HD3 LYS 34 6.815 5.182 0.291 244 HE2 LYS 34 HE2 LYS 34 9.239 5.555 0.298 245 HE3 LYS 34 HE3 LYS 34 9.511 4.060 -0.609 246 HZ1 LYS 34 HZ1 LYS 34 9.529 6.123 -1.974 247 HZ2 LYS 34 HZ2 LYS 34 7.935 6.343 -1.658 248 HZ3 LYS 34 HZ3 LYS 34 8.438 5.009 -2.500 249 H LYS 35 H LYS 35 7.584 0.090 1.198 250 HA LYS 35 HA LYS 35 8.343 0.128 -1.601 251 HB2 LYS 35 HB2 LYS 35 8.846 -1.771 0.708 252 HB3 LYS 35 HB3 LYS 35 9.188 -2.292 -0.935 253 HG2 LYS 35 HG2 LYS 35 11.209 -1.469 -0.013 254 HG3 LYS 35 HG3 LYS 35 10.697 -0.378 -1.298 255 HD2 LYS 35 HD2 LYS 35 9.934 1.275 0.371 256 HD3 LYS 35 HD3 LYS 35 10.244 0.113 1.673 257 HE2 LYS 35 HE2 LYS 35 12.091 1.501 1.774 258 HE3 LYS 35 HE3 LYS 35 12.684 0.087 0.900 259 HZ1 LYS 35 HZ1 LYS 35 11.921 2.710 -0.296 260 HZ2 LYS 35 HZ2 LYS 35 12.349 1.404 -1.185 261 HZ3 LYS 35 HZ3 LYS 35 13.422 2.100 -0.158 262 H ALA 36 H ALA 36 5.901 -1.787 0.158 263 HA ALA 36 HA ALA 36 5.178 -3.375 -2.136 264 HB1 ALA 36 HB1 ALA 36 3.585 -2.778 0.385 265 HB2 ALA 36 HB2 ALA 36 3.329 -4.117 -0.757 266 HB3 ALA 36 HB3 ALA 36 4.804 -4.063 0.198 267 H ARG 37 H ARG 37 3.867 -0.240 -0.894 268 HA ARG 37 HA ARG 37 1.831 0.137 -2.871 269 HB2 ARG 37 HB2 ARG 37 3.570 2.048 -1.288 270 HB3 ARG 37 HB3 ARG 37 2.634 2.636 -2.651 271 HG2 ARG 37 HG2 ARG 37 0.568 1.634 -1.569 272 HG3 ARG 37 HG3 ARG 37 1.540 1.431 -0.098 273 HD2 ARG 37 HD2 ARG 37 1.080 4.038 -1.623 274 HD3 ARG 37 HD3 ARG 37 0.275 3.584 -0.134 275 HE ARG 37 HE ARG 37 3.055 4.483 -0.470 276 HH11 ARG 37 HH11 ARG 37 0.624 3.221 1.824 277 HH12 ARG 37 HH12 ARG 37 1.454 3.884 3.213 278 HH21 ARG 37 HH21 ARG 37 4.083 5.308 1.354 279 HH22 ARG 37 HH22 ARG 37 3.409 5.057 2.949 280 H ASP 38 H ASP 38 5.225 1.341 -2.914 281 HA ASP 38 HA ASP 38 5.245 2.348 -5.516 282 HB2 ASP 38 HB2 ASP 38 7.437 1.120 -3.802 283 HB3 ASP 38 HB3 ASP 38 7.759 1.814 -5.389 284 H ALA 39 H ALA 39 6.074 -1.018 -4.512 285 HA ALA 39 HA ALA 39 6.608 -1.983 -7.137 286 HB1 ALA 39 HB1 ALA 39 6.323 -4.211 -6.096 287 HB2 ALA 39 HB2 ALA 39 7.323 -3.145 -5.095 288 HB3 ALA 39 HB3 ALA 39 5.627 -3.455 -4.651 289 H CYS 40 H CYS 40 3.496 -2.025 -5.259 290 HA CYS 40 HA CYS 40 2.047 -3.382 -7.325 291 HB2 CYS 40 HB2 CYS 40 1.364 -3.216 -4.940 292 HB3 CYS 40 HB3 CYS 40 1.024 -1.501 -5.144 293 H ILE 41 H ILE 41 2.433 0.123 -6.624 294 HA ILE 41 HA ILE 41 0.751 0.999 -8.791 295 HB ILE 41 HB ILE 41 2.762 2.350 -6.974 296 HG12 ILE 41 HG12 ILE 41 0.710 3.836 -6.597 297 HG13 ILE 41 HG13 ILE 41 -0.207 2.710 -7.593 298 HG21 ILE 41 HG21 ILE 41 1.458 3.641 -9.412 299 HG22 ILE 41 HG22 ILE 41 2.246 4.518 -8.089 300 HG23 ILE 41 HG23 ILE 41 3.206 3.454 -9.102 301 HD11 ILE 41 HD11 ILE 41 0.254 0.929 -5.859 302 HD12 ILE 41 HD12 ILE 41 1.074 2.182 -4.889 303 HD13 ILE 41 HD13 ILE 41 -0.650 2.322 -5.252 304 H ILE 42 H ILE 42 4.302 0.302 -8.636 305 HA ILE 42 HA ILE 42 4.714 1.076 -11.398 306 HB ILE 42 HB ILE 42 6.278 -0.632 -9.457 307 HG12 ILE 42 HG12 ILE 42 6.924 2.013 -10.860 308 HG13 ILE 42 HG13 ILE 42 6.135 1.927 -9.294 309 HG21 ILE 42 HG21 ILE 42 7.038 -0.036 -12.352 310 HG22 ILE 42 HG22 ILE 42 8.133 -0.704 -11.125 311 HG23 ILE 42 HG23 ILE 42 6.746 -1.642 -11.643 312 HD11 ILE 42 HD11 ILE 42 8.127 0.697 -8.378 313 HD12 ILE 42 HD12 ILE 42 8.961 0.995 -9.926 314 HD13 ILE 42 HD13 ILE 42 8.456 2.355 -8.916 315 H GLU 43 H GLU 43 3.838 -2.092 -9.952 316 HA GLU 43 HA GLU 43 3.997 -3.473 -12.504 317 HB2 GLU 43 HB2 GLU 43 3.014 -4.234 -9.737 318 HB3 GLU 43 HB3 GLU 43 2.942 -5.334 -11.103 319 HG2 GLU 43 HG2 GLU 43 5.611 -4.218 -10.987 320 HG3 GLU 43 HG3 GLU 43 5.146 -4.796 -9.385 321 H LYS 44 H LYS 44 1.293 -2.097 -10.718 322 HA LYS 44 HA LYS 44 -0.661 -3.232 -12.701 323 HB2 LYS 44 HB2 LYS 44 -1.290 -2.703 -9.793 324 HB3 LYS 44 HB3 LYS 44 -2.145 -3.732 -10.945 325 HG2 LYS 44 HG2 LYS 44 -0.183 -5.334 -10.886 326 HG3 LYS 44 HG3 LYS 44 0.542 -4.306 -9.635 327 HD2 LYS 44 HD2 LYS 44 -1.660 -4.638 -8.321 328 HD3 LYS 44 HD3 LYS 44 -1.977 -5.979 -9.444 329 HE2 LYS 44 HE2 LYS 44 0.151 -7.053 -8.799 330 HE3 LYS 44 HE3 LYS 44 0.583 -5.648 -7.820 331 HZ1 LYS 44 HZ1 LYS 44 -1.447 -7.694 -7.198 332 HZ2 LYS 44 HZ2 LYS 44 -1.554 -6.202 -6.520 333 HZ3 LYS 44 HZ3 LYS 44 -0.233 -7.125 -6.274 334 H GLY 45 H GLY 45 0.355 -0.350 -11.031 335 HA2 GLY 45 HA2 GLY 45 -0.277 1.849 -11.570 336 HA3 GLY 45 HA3 GLY 45 -1.701 1.252 -12.413 337 H GLU 46 H GLU 46 -1.786 3.449 -10.730 338 HA GLU 46 HA GLU 46 -2.546 2.909 -8.008 339 HB2 GLU 46 HB2 GLU 46 -3.117 5.274 -9.850 340 HB3 GLU 46 HB3 GLU 46 -3.498 5.247 -8.125 341 HG2 GLU 46 HG2 GLU 46 -1.171 4.981 -7.526 342 HG3 GLU 46 HG3 GLU 46 -0.701 4.797 -9.222 343 H GLU 47 H GLU 47 -4.332 2.693 -10.979 344 HA GLU 47 HA GLU 47 -6.978 2.598 -9.780 345 HB2 GLU 47 HB2 GLU 47 -7.704 2.073 -12.080 346 HB3 GLU 47 HB3 GLU 47 -6.710 3.518 -11.979 347 HG2 GLU 47 HG2 GLU 47 -4.748 2.311 -12.823 348 HG3 GLU 47 HG3 GLU 47 -5.653 0.792 -12.828 349 H HIS 48 H HIS 48 -4.611 0.263 -9.553 350 HA HIS 48 HA HIS 48 -6.686 -1.897 -9.324 351 HB2 HIS 48 HB2 HIS 48 -3.892 -2.104 -10.485 352 HB3 HIS 48 HB3 HIS 48 -4.944 -3.481 -10.169 353 HD1 HIS 48 HD1 HIS 48 -3.895 -1.748 -13.020 354 HD2 HIS 48 HD2 HIS 48 -7.660 -2.777 -11.448 355 HE1 HIS 48 HE1 HIS 48 -5.497 -1.856 -15.012 356 H CYS 49 H CYS 49 -4.740 -0.129 -7.415 357 HA CYS 49 HA CYS 49 -3.709 -2.405 -5.803 358 HB2 CYS 49 HB2 CYS 49 -2.860 0.475 -5.980 359 HB3 CYS 49 HB3 CYS 49 -2.223 -0.658 -4.783 360 H GLY 50 H GLY 50 -6.601 -1.323 -5.659 361 HA2 GLY 50 HA2 GLY 50 -7.196 -0.089 -3.279 362 HA3 GLY 50 HA3 GLY 50 -8.175 -1.348 -4.018 363 H HIS 51 H HIS 51 -6.222 -3.556 -3.540 364 HA HIS 51 HA HIS 51 -6.853 -4.169 -0.759 365 HB2 HIS 51 HB2 HIS 51 -4.881 -5.551 -2.615 366 HB3 HIS 51 HB3 HIS 51 -5.576 -6.202 -1.136 367 HD1 HIS 51 HD1 HIS 51 -8.651 -5.061 -2.368 368 HD2 HIS 51 HD2 HIS 51 -5.836 -7.877 -3.739 369 HE1 HIS 51 HE1 HIS 51 -9.882 -6.574 -3.995 370 H LEU 52 H LEU 52 -4.068 -2.747 -2.406 371 HA LEU 52 HA LEU 52 -2.199 -3.046 -0.186 372 HB2 LEU 52 HB2 LEU 52 -1.930 -2.638 -2.891 373 HB3 LEU 52 HB3 LEU 52 -1.857 -0.981 -2.340 374 HG LEU 52 HG LEU 52 0.363 -1.742 -2.556 375 HD11 LEU 52 HD11 LEU 52 -0.182 -2.029 0.423 376 HD12 LEU 52 HD12 LEU 52 -0.069 -0.481 -0.439 377 HD13 LEU 52 HD13 LEU 52 1.337 -1.559 -0.352 378 HD21 LEU 52 HD21 LEU 52 1.258 -3.772 -1.543 379 HD22 LEU 52 HD22 LEU 52 -0.088 -4.158 -2.614 380 HD23 LEU 52 HD23 LEU 52 -0.321 -4.171 -0.852 381 H ILE 53 H ILE 53 -4.328 -0.538 -1.530 382 HA ILE 53 HA ILE 53 -3.798 1.545 0.363 383 HB ILE 53 HB ILE 53 -6.235 0.967 -1.307 384 HG12 ILE 53 HG12 ILE 53 -4.045 3.077 -1.659 385 HG13 ILE 53 HG13 ILE 53 -3.928 1.487 -2.402 386 HG21 ILE 53 HG21 ILE 53 -6.883 2.385 0.620 387 HG22 ILE 53 HG22 ILE 53 -5.506 3.461 0.313 388 HG23 ILE 53 HG23 ILE 53 -6.854 3.351 -0.842 389 HD11 ILE 53 HD11 ILE 53 -6.082 1.847 -3.550 390 HD12 ILE 53 HD12 ILE 53 -6.097 3.523 -2.943 391 HD13 ILE 53 HD13 ILE 53 -4.797 2.985 -4.028 392 H GLU 54 H GLU 54 -6.250 -1.071 0.368 393 HA GLU 54 HA GLU 54 -7.298 -0.426 2.940 394 HB2 GLU 54 HB2 GLU 54 -8.392 -2.025 1.383 395 HB3 GLU 54 HB3 GLU 54 -7.138 -3.225 1.769 396 HG2 GLU 54 HG2 GLU 54 -7.770 -3.065 4.186 397 HG3 GLU 54 HG3 GLU 54 -8.982 -1.851 3.785 398 H ALA 55 H ALA 55 -4.580 -2.592 2.073 399 HA ALA 55 HA ALA 55 -3.978 -3.515 4.660 400 HB1 ALA 55 HB1 ALA 55 -3.013 -4.480 2.623 401 HB2 ALA 55 HB2 ALA 55 -2.079 -3.000 2.331 402 HB3 ALA 55 HB3 ALA 55 -1.727 -4.001 3.751 403 H HIS 56 H HIS 56 -2.564 -0.594 2.981 404 HA HIS 56 HA HIS 56 -1.113 0.122 5.313 405 HB2 HIS 56 HB2 HIS 56 -0.167 1.720 4.058 406 HB3 HIS 56 HB3 HIS 56 -0.488 0.458 2.916 407 HD1 HIS 56 HD1 HIS 56 -2.117 3.909 3.884 408 HD2 HIS 56 HD2 HIS 56 -1.199 1.367 0.663 409 HE1 HIS 56 HE1 HIS 56 -2.751 5.171 1.785 410 H LYS 57 H LYS 57 -4.329 1.218 4.117 411 HA LYS 57 HA LYS 57 -4.507 3.300 6.118 412 HB2 LYS 57 HB2 LYS 57 -6.709 3.661 5.454 413 HB3 LYS 57 HB3 LYS 57 -5.823 3.172 4.018 414 HG2 LYS 57 HG2 LYS 57 -7.685 1.966 3.661 415 HG3 LYS 57 HG3 LYS 57 -6.808 0.783 4.618 416 HD2 LYS 57 HD2 LYS 57 -8.066 1.531 6.653 417 HD3 LYS 57 HD3 LYS 57 -8.953 2.698 5.669 418 HE2 LYS 57 HE2 LYS 57 -8.925 -0.301 5.134 419 HE3 LYS 57 HE3 LYS 57 -10.112 0.477 6.188 420 HZ1 LYS 57 HZ1 LYS 57 -10.998 0.238 3.938 421 HZ2 LYS 57 HZ2 LYS 57 -9.781 1.128 3.300 422 HZ3 LYS 57 HZ3 LYS 57 -10.849 1.822 4.326 423 H GLU 58 H GLU 58 -5.434 -0.145 6.252 424 HA GLU 58 HA GLU 58 -6.393 0.073 9.016 425 HB2 GLU 58 HB2 GLU 58 -5.492 -2.285 7.325 426 HB3 GLU 58 HB3 GLU 58 -5.895 -2.435 9.038 427 HG2 GLU 58 HG2 GLU 58 -8.142 -1.420 8.588 428 HG3 GLU 58 HG3 GLU 58 -7.762 -1.404 6.866 429 H SER 59 H SER 59 -3.206 -0.750 7.608 430 HA SER 59 HA SER 59 -1.746 -1.221 9.977 431 HB2 SER 59 HB2 SER 59 -0.860 -1.609 7.720 432 HB3 SER 59 HB3 SER 59 -0.920 0.129 7.383 433 HG SER 59 HG SER 59 0.764 -1.247 9.184 434 H MET 60 H MET 60 -2.372 1.939 8.337 435 HA MET 60 HA MET 60 -1.140 3.408 10.522 436 HB2 MET 60 HB2 MET 60 -1.653 3.968 7.835 437 HB3 MET 60 HB3 MET 60 -2.842 4.937 8.695 438 HG2 MET 60 HG2 MET 60 -1.069 6.382 8.589 439 HG3 MET 60 HG3 MET 60 -0.779 5.676 10.171 440 HE1 MET 60 HE1 MET 60 1.218 3.807 10.581 441 HE2 MET 60 HE2 MET 60 0.640 2.746 9.267 442 HE3 MET 60 HE3 MET 60 2.327 3.266 9.313 443 H ARG 61 H ARG 61 -4.519 2.436 9.859 444 HA ARG 61 HA ARG 61 -5.716 4.082 11.873 445 HB2 ARG 61 HB2 ARG 61 -6.953 2.679 10.255 446 HB3 ARG 61 HB3 ARG 61 -6.410 1.223 11.095 447 HG2 ARG 61 HG2 ARG 61 -7.590 1.997 13.152 448 HG3 ARG 61 HG3 ARG 61 -8.181 3.411 12.266 449 HD2 ARG 61 HD2 ARG 61 -8.705 0.499 11.519 450 HD3 ARG 61 HD3 ARG 61 -9.824 1.518 12.434 451 HE ARG 61 HE ARG 61 -9.526 3.042 10.265 452 HH11 ARG 61 HH11 ARG 61 -10.085 -0.478 10.434 453 HH12 ARG 61 HH12 ARG 61 -10.992 -0.509 8.939 454 HH21 ARG 61 HH21 ARG 61 -10.700 2.947 8.329 455 HH22 ARG 61 HH22 ARG 61 -11.313 1.420 7.735 456 H ALA 62 H ALA 62 -3.921 0.980 12.117 457 HA ALA 62 HA ALA 62 -4.172 0.770 14.968 458 HB1 ALA 62 HB1 ALA 62 -2.167 -0.415 13.030 459 HB2 ALA 62 HB2 ALA 62 -2.340 -0.902 14.724 460 HB3 ALA 62 HB3 ALA 62 -3.677 -1.150 13.588 461 H LEU 63 H LEU 63 -2.331 3.129 13.268 462 HA LEU 63 HA LEU 63 -0.671 3.707 15.680 463 HB2 LEU 63 HB2 LEU 63 -0.815 4.913 12.906 464 HB3 LEU 63 HB3 LEU 63 -0.103 5.777 14.243 465 HG LEU 63 HG LEU 63 1.551 4.678 12.838 466 HD11 LEU 63 HD11 LEU 63 1.537 3.486 15.637 467 HD12 LEU 63 HD12 LEU 63 2.063 5.132 15.226 468 HD13 LEU 63 HD13 LEU 63 2.936 3.731 14.582 469 HD21 LEU 63 HD21 LEU 63 0.571 2.026 13.936 470 HD22 LEU 63 HD22 LEU 63 1.844 2.316 12.732 471 HD23 LEU 63 HD23 LEU 63 0.146 2.658 12.336 472 H GLY 64 H GLY 64 -3.805 4.375 14.444 473 HA2 GLY 64 HA2 GLY 64 -5.540 5.464 15.444 474 HA3 GLY 64 HA3 GLY 64 -4.470 5.922 16.771 475 H PHE 65 H PHE 65 -2.872 7.156 14.178 476 HA PHE 65 HA PHE 65 -4.201 9.807 14.484 477 HB2 PHE 65 HB2 PHE 65 -2.061 10.777 13.834 478 HB3 PHE 65 HB3 PHE 65 -2.020 9.807 15.284 479 HD1 PHE 65 HD1 PHE 65 -1.515 9.008 11.573 480 HD2 PHE 65 HD2 PHE 65 0.069 8.885 15.593 481 HE1 PHE 65 HE1 PHE 65 0.507 7.863 10.746 482 HE2 PHE 65 HE2 PHE 65 2.118 7.786 14.739 483 HZ PHE 65 HZ PHE 65 2.336 7.255 12.316 484 H LYS 66 H LYS 66 -4.437 7.458 12.184 485 HA LYS 66 HA LYS 66 -4.299 9.346 9.888 486 HB2 LYS 66 HB2 LYS 66 -3.198 7.279 9.491 487 HB3 LYS 66 HB3 LYS 66 -4.591 6.337 10.019 488 HG2 LYS 66 HG2 LYS 66 -4.398 6.292 7.571 489 HG3 LYS 66 HG3 LYS 66 -5.879 7.066 8.070 490 HD2 LYS 66 HD2 LYS 66 -4.222 9.273 7.774 491 HD3 LYS 66 HD3 LYS 66 -3.556 8.173 6.568 492 HE2 LYS 66 HE2 LYS 66 -5.766 7.941 5.513 493 HE3 LYS 66 HE3 LYS 66 -6.522 8.843 6.838 494 HZ1 LYS 66 HZ1 LYS 66 -6.228 10.289 4.985 495 HZ2 LYS 66 HZ2 LYS 66 -4.614 9.965 4.880 496 HZ3 LYS 66 HZ3 LYS 66 -5.208 10.776 6.185 497 H ILE 67 H ILE 67 -6.728 7.373 11.522 498 HA ILE 67 HA ILE 67 -8.933 8.996 10.416 499 HB ILE 67 HB ILE 67 -10.100 6.733 9.834 500 HG12 ILE 67 HG12 ILE 67 -7.178 5.880 9.528 501 HG13 ILE 67 HG13 ILE 67 -8.403 5.135 10.534 502 HG21 ILE 67 HG21 ILE 67 -9.587 8.657 8.337 503 HG22 ILE 67 HG22 ILE 67 -8.040 7.892 7.936 504 HG23 ILE 67 HG23 ILE 67 -9.565 7.100 7.523 505 HD11 ILE 67 HD11 ILE 67 -8.293 5.162 7.486 506 HD12 ILE 67 HD12 ILE 67 -7.997 3.791 8.551 507 HD13 ILE 67 HD13 ILE 67 -9.625 4.468 8.437
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