NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
575641 | 2m9l | 19300 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 H GLU 1 1.808 0.001 0.855 2 HA GLU 1 HA GLU 1 3.139 -0.078 -0.989 3 HB2 GLU 1 HB2 GLU 1 0.656 -1.118 -2.365 4 HB3 GLU 1 HB3 GLU 1 2.289 -1.185 -3.012 5 HG2 GLU 1 HG2 GLU 1 2.952 -2.612 -1.117 6 HG3 GLU 1 HG3 GLU 1 1.283 -2.592 -0.550 7 H CYS 2 H CYS 2 3.592 1.034 -3.002 8 HA CYS 2 HA CYS 2 2.367 3.629 -3.064 9 HB2 CYS 2 HB2 CYS 2 4.056 4.213 -4.650 10 HB3 CYS 2 HB3 CYS 2 4.819 3.181 -3.445 11 H ARG 3 H ARG 3 1.262 4.589 -4.796 12 HA ARG 3 HA ARG 3 -0.212 2.672 -6.448 13 HB2 ARG 3 HB2 ARG 3 -0.768 5.605 -5.965 14 HB3 ARG 3 HB3 ARG 3 -1.822 4.467 -6.793 15 HG2 ARG 3 HG2 ARG 3 -1.221 3.406 -4.230 16 HG3 ARG 3 HG3 ARG 3 -1.711 5.090 -4.036 17 HD2 ARG 3 HD2 ARG 3 -3.783 4.708 -5.113 18 HD3 ARG 3 HD3 ARG 3 -3.265 3.130 -5.704 19 HE ARG 3 HE ARG 3 -4.426 3.703 -3.173 20 HH11 ARG 3 HH11 ARG 3 -2.113 1.648 -4.770 21 HH12 ARG 3 HH12 ARG 3 -2.276 0.357 -3.626 22 HH21 ARG 3 HH21 ARG 3 -4.649 2.010 -1.661 23 HH22 ARG 3 HH22 ARG 3 -3.719 0.563 -1.859 24 H TYR 4 H TYR 4 -0.648 3.187 -8.697 25 HA TYR 4 HA TYR 4 1.687 4.431 -9.961 26 HB2 TYR 4 HB2 TYR 4 0.973 3.203 -11.992 27 HB3 TYR 4 HB3 TYR 4 1.272 2.133 -10.627 28 HD1 TYR 4 HD1 TYR 4 -0.569 0.973 -9.527 29 HD2 TYR 4 HD2 TYR 4 -1.263 3.509 -12.872 30 HE1 TYR 4 HE1 TYR 4 -2.814 0.002 -9.790 31 HE2 TYR 4 HE2 TYR 4 -3.510 2.546 -13.144 32 HH TYR 4 HH TYR 4 -5.095 0.907 -10.875 33 H TRP 5 H TRP 5 0.826 5.078 -12.412 34 HA TRP 5 HA TRP 5 -0.274 7.589 -12.163 35 HB2 TRP 5 HB2 TRP 5 0.879 6.485 -14.191 36 HB3 TRP 5 HB3 TRP 5 -0.732 5.920 -14.625 37 HD1 TRP 5 HD1 TRP 5 0.389 9.422 -13.369 38 HE1 TRP 5 HE1 TRP 5 -0.432 11.169 -15.072 39 HE3 TRP 5 HE3 TRP 5 -1.689 6.275 -16.821 40 HZ2 TRP 5 HZ2 TRP 5 -1.783 11.207 -17.550 41 HZ3 TRP 5 HZ3 TRP 5 -2.726 7.248 -18.829 42 HH2 TRP 5 HH2 TRP 5 -2.772 9.663 -19.184 43 H LEU 6 H LEU 6 -2.276 8.438 -12.047 44 HA LEU 6 HA LEU 6 -4.519 8.561 -11.692 45 HB2 LEU 6 HB2 LEU 6 -4.787 6.191 -13.516 46 HB3 LEU 6 HB3 LEU 6 -5.931 7.506 -13.256 47 HG LEU 6 HG LEU 6 -3.346 7.588 -14.799 48 HD11 LEU 6 HD11 LEU 6 -6.206 8.119 -15.590 49 HD12 LEU 6 HD12 LEU 6 -5.279 6.670 -15.977 50 HD13 LEU 6 HD13 LEU 6 -4.798 8.230 -16.646 51 HD21 LEU 6 HD21 LEU 6 -4.192 10.005 -15.236 52 HD22 LEU 6 HD22 LEU 6 -3.275 9.655 -13.771 53 HD23 LEU 6 HD23 LEU 6 -5.032 9.798 -13.699 54 H GLY 7 H GLY 7 -2.833 6.684 -10.078 55 HA2 GLY 7 HA2 GLY 7 -4.438 4.416 -9.429 56 HA3 GLY 7 HA3 GLY 7 -3.087 5.035 -8.491 57 H GLY 8 H GLY 8 -4.150 7.674 -8.102 58 HA2 GLY 8 HA2 GLY 8 -5.975 8.760 -7.029 59 HA3 GLY 8 HA3 GLY 8 -6.623 7.185 -6.598 60 H CYS 9 H CYS 9 -4.152 9.572 -5.844 61 HA CYS 9 HA CYS 9 -3.260 8.188 -3.484 62 HB2 CYS 9 HB2 CYS 9 -1.818 10.079 -3.127 63 HB3 CYS 9 HB3 CYS 9 -1.796 9.696 -4.845 64 H SER 10 H SER 10 -3.049 10.035 -1.539 65 HA SER 10 HA SER 10 -5.563 11.357 -1.054 66 HB2 SER 10 HB2 SER 10 -5.387 8.674 -0.306 67 HB3 SER 10 HB3 SER 10 -5.096 9.567 1.187 68 HG SER 10 HG SER 10 -7.046 10.806 0.530 69 H ALA 11 H ALA 11 -5.459 11.714 1.639 70 HA ALA 11 HA ALA 11 -3.303 13.568 1.906 71 HB1 ALA 11 HB1 ALA 11 -5.800 13.170 3.121 72 HB2 ALA 11 HB2 ALA 11 -4.599 13.042 4.408 73 HB3 ALA 11 HB3 ALA 11 -4.661 14.487 3.400 74 H GLY 12 H GLY 12 -3.773 10.260 2.754 75 HA2 GLY 12 HA2 GLY 12 -1.232 10.322 4.262 76 HA3 GLY 12 HA3 GLY 12 -2.577 9.296 4.738 77 H GLN 13 H GLN 13 -2.010 9.697 1.367 78 HA GLN 13 HA GLN 13 -0.931 6.961 1.260 79 HB2 GLN 13 HB2 GLN 13 -2.949 8.400 -0.321 80 HB3 GLN 13 HB3 GLN 13 -1.799 7.477 -1.280 81 HG2 GLN 13 HG2 GLN 13 -2.334 5.503 0.184 82 HG3 GLN 13 HG3 GLN 13 -3.652 6.463 0.855 83 HE21 GLN 13 HE21 GLN 13 -2.391 6.020 -2.431 84 HE22 GLN 13 HE22 GLN 13 -3.898 5.543 -3.129 85 H THR 14 H THR 14 0.256 6.616 -0.961 86 HA THR 14 HA THR 14 1.980 8.912 -1.559 87 HB THR 14 HB THR 14 3.291 6.243 -1.334 88 HG1 THR 14 HG1 THR 14 3.770 6.970 0.935 89 HG21 THR 14 HG21 THR 14 4.997 8.066 -0.310 90 HG22 THR 14 HG22 THR 14 4.045 9.096 -1.380 91 HG23 THR 14 HG23 THR 14 4.888 7.689 -2.029 92 H CYS 15 H CYS 15 3.387 8.460 -3.503 93 HA CYS 15 HA CYS 15 1.976 6.716 -5.413 94 HB2 CYS 15 HB2 CYS 15 3.170 9.448 -5.929 95 HB3 CYS 15 HB3 CYS 15 2.515 8.386 -7.171 96 H CYS 16 H CYS 16 3.206 5.514 -6.803 97 HA CYS 16 HA CYS 16 5.743 4.709 -6.048 98 HB2 CYS 16 HB2 CYS 16 4.423 4.559 -8.764 99 HB3 CYS 16 HB3 CYS 16 5.899 3.701 -8.334 100 H LYS 17 H LYS 17 7.671 4.770 -7.674 101 HA LYS 17 HA LYS 17 8.696 7.380 -7.677 102 HB2 LYS 17 HB2 LYS 17 9.890 5.052 -7.807 103 HB3 LYS 17 HB3 LYS 17 9.750 5.287 -9.544 104 HG2 LYS 17 HG2 LYS 17 11.570 6.539 -9.515 105 HG3 LYS 17 HG3 LYS 17 10.764 7.687 -8.444 106 HD2 LYS 17 HD2 LYS 17 11.432 5.711 -6.701 107 HD3 LYS 17 HD3 LYS 17 12.773 5.628 -7.846 108 HE2 LYS 17 HE2 LYS 17 13.548 7.701 -7.296 109 HE3 LYS 17 HE3 LYS 17 11.945 8.313 -6.892 110 HZ1 LYS 17 HZ1 LYS 17 13.884 7.497 -5.128 111 HZ2 LYS 17 HZ2 LYS 17 12.743 6.249 -5.106 112 HZ3 LYS 17 HZ3 LYS 17 12.267 7.836 -4.764 113 H HIS 18 H HIS 18 9.339 8.701 -9.492 114 HA HIS 18 HA HIS 18 8.932 9.865 -11.403 115 HB2 HIS 18 HB2 HIS 18 8.539 7.047 -12.173 116 HB3 HIS 18 HB3 HIS 18 7.769 8.219 -13.238 117 HD1 HIS 18 HD1 HIS 18 9.246 8.530 -15.190 118 HD2 HIS 18 HD2 HIS 18 11.406 8.275 -11.650 119 HE1 HIS 18 HE1 HIS 18 11.648 8.893 -15.840 120 H LEU 19 H LEU 19 6.801 9.351 -9.304 121 HA LEU 19 HA LEU 19 4.609 10.526 -10.839 122 HB2 LEU 19 HB2 LEU 19 4.273 8.210 -8.938 123 HB3 LEU 19 HB3 LEU 19 2.962 9.106 -9.702 124 HG LEU 19 HG LEU 19 4.967 7.799 -11.466 125 HD11 LEU 19 HD11 LEU 19 3.236 6.381 -9.561 126 HD12 LEU 19 HD12 LEU 19 4.687 5.839 -10.404 127 HD13 LEU 19 HD13 LEU 19 3.131 5.829 -11.233 128 HD21 LEU 19 HD21 LEU 19 2.005 8.330 -11.558 129 HD22 LEU 19 HD22 LEU 19 2.864 7.385 -12.774 130 HD23 LEU 19 HD23 LEU 19 3.271 9.083 -12.527 131 H VAL 20 H VAL 20 3.050 11.662 -9.511 132 HA VAL 20 HA VAL 20 3.930 12.244 -6.775 133 HB VAL 20 HB VAL 20 3.511 14.681 -7.178 134 HG11 VAL 20 HG11 VAL 20 5.685 15.088 -8.277 135 HG12 VAL 20 HG12 VAL 20 5.773 13.843 -7.029 136 HG13 VAL 20 HG13 VAL 20 5.747 13.386 -8.733 137 HG21 VAL 20 HG21 VAL 20 3.425 13.748 -10.039 138 HG22 VAL 20 HG22 VAL 20 2.198 14.657 -9.157 139 HG23 VAL 20 HG23 VAL 20 3.730 15.423 -9.577 140 H CYS 21 H CYS 21 2.304 12.791 -5.359 141 HA CYS 21 HA CYS 21 -0.326 11.955 -6.042 142 HB2 CYS 21 HB2 CYS 21 0.447 11.607 -3.795 143 HB3 CYS 21 HB3 CYS 21 0.792 13.321 -3.590 144 H SER 22 H SER 22 -1.228 13.219 -7.618 145 HA SER 22 HA SER 22 -1.176 16.077 -7.531 146 HB2 SER 22 HB2 SER 22 -1.440 14.523 -9.593 147 HB3 SER 22 HB3 SER 22 -3.146 14.479 -9.149 148 HG SER 22 HG SER 22 -2.386 16.183 -10.678 149 H ARG 23 H ARG 23 -2.149 17.001 -5.818 150 HA ARG 23 HA ARG 23 -4.523 16.007 -4.610 151 HB2 ARG 23 HB2 ARG 23 -3.129 18.679 -4.385 152 HB3 ARG 23 HB3 ARG 23 -4.508 18.205 -3.401 153 HG2 ARG 23 HG2 ARG 23 -3.231 16.370 -2.454 154 HG3 ARG 23 HG3 ARG 23 -1.854 16.785 -3.477 155 HD2 ARG 23 HD2 ARG 23 -1.631 18.923 -2.374 156 HD3 ARG 23 HD3 ARG 23 -3.086 18.620 -1.426 157 HE ARG 23 HE ARG 23 -1.455 16.534 -0.809 158 HH11 ARG 23 HH11 ARG 23 -1.111 19.998 -0.737 159 HH12 ARG 23 HH12 ARG 23 -0.001 19.991 0.593 160 HH21 ARG 23 HH21 ARG 23 0.007 16.512 0.942 161 HH22 ARG 23 HH22 ARG 23 0.635 18.008 1.547 162 H ARG 24 H ARG 24 -3.907 18.024 -7.317 163 HA ARG 24 HA ARG 24 -6.509 19.293 -7.289 164 HB2 ARG 24 HB2 ARG 24 -4.122 19.383 -9.098 165 HB3 ARG 24 HB3 ARG 24 -5.672 19.985 -9.670 166 HG2 ARG 24 HG2 ARG 24 -4.630 20.942 -7.050 167 HG3 ARG 24 HG3 ARG 24 -3.942 21.587 -8.542 168 HD2 ARG 24 HD2 ARG 24 -5.655 22.995 -8.668 169 HD3 ARG 24 HD3 ARG 24 -6.726 21.612 -8.892 170 HE ARG 24 HE ARG 24 -7.516 21.970 -6.787 171 HH11 ARG 24 HH11 ARG 24 -4.372 23.441 -7.049 172 HH12 ARG 24 HH12 ARG 24 -4.426 24.147 -5.468 173 HH21 ARG 24 HH21 ARG 24 -7.600 22.895 -4.703 174 HH22 ARG 24 HH22 ARG 24 -6.263 23.835 -4.134 175 H HIS 25 H HIS 25 -4.827 16.837 -9.224 176 HA HIS 25 HA HIS 25 -7.125 16.300 -10.857 177 HB2 HIS 25 HB2 HIS 25 -4.392 15.114 -10.568 178 HB3 HIS 25 HB3 HIS 25 -5.635 14.204 -11.422 179 HD1 HIS 25 HD1 HIS 25 -6.437 15.137 -13.697 180 HD2 HIS 25 HD2 HIS 25 -3.430 17.375 -11.904 181 HE1 HIS 25 HE1 HIS 25 -5.602 16.696 -15.485 182 H GLY 26 H GLY 26 -5.774 15.021 -7.904 183 HA2 GLY 26 HA2 GLY 26 -6.973 13.793 -6.303 184 HA3 GLY 26 HA3 GLY 26 -8.188 13.433 -7.521 185 H TRP 27 H TRP 27 -4.960 12.937 -8.511 186 HA TRP 27 HA TRP 27 -4.739 10.226 -7.583 187 HB2 TRP 27 HB2 TRP 27 -4.803 9.184 -9.819 188 HB3 TRP 27 HB3 TRP 27 -6.355 9.894 -9.381 189 HD1 TRP 27 HD1 TRP 27 -3.209 11.164 -11.296 190 HE1 TRP 27 HE1 TRP 27 -4.024 12.446 -13.374 191 HE3 TRP 27 HE3 TRP 27 -8.254 10.687 -10.616 192 HZ2 TRP 27 HZ2 TRP 27 -6.481 13.161 -14.566 193 HZ3 TRP 27 HZ3 TRP 27 -9.767 11.699 -12.271 194 HH2 TRP 27 HH2 TRP 27 -8.898 12.911 -14.204 195 H CYS 28 H CYS 28 -2.772 9.156 -8.457 196 HA CYS 28 HA CYS 28 -0.562 10.914 -8.350 197 HB2 CYS 28 HB2 CYS 28 -0.637 8.031 -9.266 198 HB3 CYS 28 HB3 CYS 28 0.799 8.925 -8.778 199 H VAL 29 H VAL 29 0.427 12.032 -9.895 200 HA VAL 29 HA VAL 29 -0.167 11.356 -12.702 201 HB VAL 29 HB VAL 29 0.333 13.749 -13.208 202 HG11 VAL 29 HG11 VAL 29 -1.904 13.651 -13.242 203 HG12 VAL 29 HG12 VAL 29 -1.979 12.712 -11.749 204 HG13 VAL 29 HG13 VAL 29 -1.820 14.467 -11.681 205 HG21 VAL 29 HG21 VAL 29 1.674 14.367 -11.332 206 HG22 VAL 29 HG22 VAL 29 0.203 15.340 -11.278 207 HG23 VAL 29 HG23 VAL 29 0.385 13.954 -10.202 208 H TRP 30 H TRP 30 1.534 11.896 -14.265 209 HA TRP 30 HA TRP 30 3.992 10.744 -13.591 210 HB2 TRP 30 HB2 TRP 30 3.178 12.489 -15.917 211 HB3 TRP 30 HB3 TRP 30 4.768 11.741 -15.792 212 HD1 TRP 30 HD1 TRP 30 1.781 11.158 -17.586 213 HE1 TRP 30 HE1 TRP 30 1.375 8.667 -18.089 214 HE3 TRP 30 HE3 TRP 30 5.027 9.109 -14.209 215 HZ2 TRP 30 HZ2 TRP 30 2.307 6.164 -17.175 216 HZ3 TRP 30 HZ3 TRP 30 5.209 6.659 -14.087 217 HH2 TRP 30 HH2 TRP 30 3.876 5.218 -15.539 218 H ASP 31 H ASP 31 5.587 11.521 -12.394 219 HA ASP 31 HA ASP 31 5.711 14.252 -11.593 220 HB2 ASP 31 HB2 ASP 31 6.474 12.269 -10.224 221 HB3 ASP 31 HB3 ASP 31 7.881 12.174 -11.279 222 H GLY 32 H GLY 32 6.511 15.887 -12.725 223 HA2 GLY 32 HA2 GLY 32 8.517 16.864 -13.723 224 HA3 GLY 32 HA3 GLY 32 8.754 15.341 -14.568 225 H THR 33 H THR 33 5.704 15.351 -14.977 226 HA THR 33 HA THR 33 5.759 17.121 -17.331 227 HB THR 33 HB THR 33 4.283 15.638 -18.459 228 HG1 THR 33 HG1 THR 33 2.912 14.466 -17.363 229 HG21 THR 33 HG21 THR 33 6.787 14.923 -17.888 230 HG22 THR 33 HG22 THR 33 5.709 13.898 -18.836 231 HG23 THR 33 HG23 THR 33 5.947 13.577 -17.119 232 H PHE 34 H PHE 34 3.809 16.009 -14.615 233 HA PHE 34 HA PHE 34 1.409 17.265 -15.136 234 HB2 PHE 34 HB2 PHE 34 0.936 17.108 -12.808 235 HB3 PHE 34 HB3 PHE 34 1.964 15.732 -13.196 236 HD1 PHE 34 HD2 PHE 34 4.510 16.070 -12.798 237 HD2 PHE 34 HD1 PHE 34 1.469 18.459 -11.019 238 HE1 PHE 34 HE2 PHE 34 6.079 16.742 -11.026 239 HE2 PHE 34 HE1 PHE 34 3.034 19.135 -9.244 240 HZ PHE 34 HZ PHE 34 5.342 18.275 -9.246 241 H SER 35 H SER 35 0.529 19.202 -13.901 242 HA SER 35 HA SER 35 2.341 21.450 -14.374 243 HB2 SER 35 HB2 SER 35 0.302 22.837 -14.314 244 HB3 SER 35 HB3 SER 35 0.160 21.531 -15.490 245 HG SER 35 HG SER 35 -1.705 21.824 -14.108 Start of MODEL 2 1 H1 GLU 1 H GLU 1 1.729 -0.664 0.673 2 HA GLU 1 HA GLU 1 3.227 -0.218 -1.289 3 HB2 GLU 1 HB2 GLU 1 0.543 -1.384 -1.391 4 HB3 GLU 1 HB3 GLU 1 1.120 -0.829 -2.956 5 HG2 GLU 1 HG2 GLU 1 2.605 -2.484 -3.133 6 HG3 GLU 1 HG3 GLU 1 3.102 -2.350 -1.447 7 H CYS 2 H CYS 2 3.653 1.055 -3.049 8 HA CYS 2 HA CYS 2 2.417 3.645 -3.084 9 HB2 CYS 2 HB2 CYS 2 4.092 4.247 -4.679 10 HB3 CYS 2 HB3 CYS 2 4.868 3.215 -3.482 11 H ARG 3 H ARG 3 1.293 4.612 -4.800 12 HA ARG 3 HA ARG 3 -0.188 2.703 -6.451 13 HB2 ARG 3 HB2 ARG 3 -0.736 5.637 -5.969 14 HB3 ARG 3 HB3 ARG 3 -1.800 4.494 -6.779 15 HG2 ARG 3 HG2 ARG 3 -1.158 3.461 -4.208 16 HG3 ARG 3 HG3 ARG 3 -1.676 5.139 -4.034 17 HD2 ARG 3 HD2 ARG 3 -3.757 4.714 -5.031 18 HD3 ARG 3 HD3 ARG 3 -3.216 3.176 -5.701 19 HE ARG 3 HE ARG 3 -4.316 3.620 -3.111 20 HH11 ARG 3 HH11 ARG 3 -2.046 1.666 -4.886 21 HH12 ARG 3 HH12 ARG 3 -2.163 0.317 -3.805 22 HH21 ARG 3 HH21 ARG 3 -4.478 1.850 -1.681 23 HH22 ARG 3 HH22 ARG 3 -3.547 0.422 -1.983 24 H TYR 4 H TYR 4 -0.627 3.209 -8.697 25 HA TYR 4 HA TYR 4 1.698 4.458 -9.973 26 HB2 TYR 4 HB2 TYR 4 0.979 3.228 -11.998 27 HB3 TYR 4 HB3 TYR 4 1.279 2.158 -10.633 28 HD1 TYR 4 HD1 TYR 4 -0.561 1.001 -9.529 29 HD2 TYR 4 HD2 TYR 4 -1.258 3.535 -12.875 30 HE1 TYR 4 HE1 TYR 4 -2.807 0.032 -9.787 31 HE2 TYR 4 HE2 TYR 4 -3.507 2.575 -13.141 32 HH TYR 4 HH TYR 4 -4.614 -0.102 -11.112 33 H TRP 5 H TRP 5 0.820 5.099 -12.421 34 HA TRP 5 HA TRP 5 -0.277 7.611 -12.169 35 HB2 TRP 5 HB2 TRP 5 0.860 6.499 -14.204 36 HB3 TRP 5 HB3 TRP 5 -0.756 5.939 -14.626 37 HD1 TRP 5 HD1 TRP 5 0.375 9.439 -13.376 38 HE1 TRP 5 HE1 TRP 5 -0.449 11.186 -15.077 39 HE3 TRP 5 HE3 TRP 5 -1.714 6.294 -16.823 40 HZ2 TRP 5 HZ2 TRP 5 -1.806 11.226 -17.552 41 HZ3 TRP 5 HZ3 TRP 5 -2.755 7.266 -18.829 42 HH2 TRP 5 HH2 TRP 5 -2.799 9.682 -19.184 43 H LEU 6 H LEU 6 -2.277 8.459 -12.029 44 HA LEU 6 HA LEU 6 -4.517 8.582 -11.655 45 HB2 LEU 6 HB2 LEU 6 -4.806 6.221 -13.486 46 HB3 LEU 6 HB3 LEU 6 -5.942 7.541 -13.215 47 HG LEU 6 HG LEU 6 -3.367 7.613 -14.775 48 HD11 LEU 6 HD11 LEU 6 -6.233 8.153 -15.539 49 HD12 LEU 6 HD12 LEU 6 -5.305 6.712 -15.950 50 HD13 LEU 6 HD13 LEU 6 -4.835 8.279 -16.607 51 HD21 LEU 6 HD21 LEU 6 -5.154 9.893 -13.938 52 HD22 LEU 6 HD22 LEU 6 -3.893 10.002 -15.166 53 HD23 LEU 6 HD23 LEU 6 -3.465 9.648 -13.492 54 H GLY 7 H GLY 7 -2.822 6.699 -10.060 55 HA2 GLY 7 HA2 GLY 7 -4.415 4.424 -9.412 56 HA3 GLY 7 HA3 GLY 7 -3.066 5.048 -8.474 57 H GLY 8 H GLY 8 -4.101 7.662 -8.026 58 HA2 GLY 8 HA2 GLY 8 -5.957 8.736 -6.969 59 HA3 GLY 8 HA3 GLY 8 -6.576 7.152 -6.525 60 H CYS 9 H CYS 9 -4.135 9.579 -5.805 61 HA CYS 9 HA CYS 9 -3.202 8.218 -3.448 62 HB2 CYS 9 HB2 CYS 9 -1.762 10.103 -3.125 63 HB3 CYS 9 HB3 CYS 9 -1.787 9.755 -4.851 64 H SER 10 H SER 10 -3.000 10.047 -1.501 65 HA SER 10 HA SER 10 -5.514 11.365 -1.002 66 HB2 SER 10 HB2 SER 10 -5.449 8.705 -0.332 67 HB3 SER 10 HB3 SER 10 -4.954 9.472 1.177 68 HG SER 10 HG SER 10 -7.386 9.571 -0.161 69 H ALA 11 H ALA 11 -5.402 11.709 1.692 70 HA ALA 11 HA ALA 11 -3.247 13.563 1.962 71 HB1 ALA 11 HB1 ALA 11 -5.061 14.352 3.086 72 HB2 ALA 11 HB2 ALA 11 -5.578 12.748 3.607 73 HB3 ALA 11 HB3 ALA 11 -4.236 13.550 4.423 74 H GLY 12 H GLY 12 -3.713 10.250 2.797 75 HA2 GLY 12 HA2 GLY 12 -1.166 10.306 4.294 76 HA3 GLY 12 HA3 GLY 12 -2.508 9.278 4.772 77 H GLN 13 H GLN 13 -1.954 9.694 1.400 78 HA GLN 13 HA GLN 13 -0.874 6.959 1.277 79 HB2 GLN 13 HB2 GLN 13 -2.900 8.404 -0.290 80 HB3 GLN 13 HB3 GLN 13 -1.755 7.484 -1.256 81 HG2 GLN 13 HG2 GLN 13 -2.284 5.505 0.203 82 HG3 GLN 13 HG3 GLN 13 -3.599 6.463 0.883 83 HE21 GLN 13 HE21 GLN 13 -2.350 6.030 -2.410 84 HE22 GLN 13 HE22 GLN 13 -3.859 5.555 -3.103 85 H THR 14 H THR 14 0.304 6.624 -0.950 86 HA THR 14 HA THR 14 2.025 8.924 -1.542 87 HB THR 14 HB THR 14 3.334 6.251 -1.348 88 HG1 THR 14 HG1 THR 14 2.285 6.438 0.661 89 HG21 THR 14 HG21 THR 14 4.930 7.702 -2.035 90 HG22 THR 14 HG22 THR 14 5.045 8.065 -0.313 91 HG23 THR 14 HG23 THR 14 4.090 9.103 -1.371 92 H CYS 15 H CYS 15 3.423 8.482 -3.496 93 HA CYS 15 HA CYS 15 1.998 6.755 -5.413 94 HB2 CYS 15 HB2 CYS 15 3.189 9.492 -5.912 95 HB3 CYS 15 HB3 CYS 15 2.530 8.440 -7.161 96 H CYS 16 H CYS 16 3.220 5.564 -6.819 97 HA CYS 16 HA CYS 16 5.763 4.754 -6.085 98 HB2 CYS 16 HB2 CYS 16 4.415 4.619 -8.788 99 HB3 CYS 16 HB3 CYS 16 5.903 3.769 -8.386 100 H LYS 17 H LYS 17 7.683 4.828 -7.714 101 HA LYS 17 HA LYS 17 8.700 7.442 -7.713 102 HB2 LYS 17 HB2 LYS 17 9.931 5.157 -7.815 103 HB3 LYS 17 HB3 LYS 17 9.737 5.309 -9.556 104 HG2 LYS 17 HG2 LYS 17 11.465 6.686 -9.686 105 HG3 LYS 17 HG3 LYS 17 10.771 7.753 -8.463 106 HD2 LYS 17 HD2 LYS 17 11.616 5.826 -6.846 107 HD3 LYS 17 HD3 LYS 17 12.746 5.548 -8.174 108 HE2 LYS 17 HE2 LYS 17 12.869 8.252 -7.920 109 HE3 LYS 17 HE3 LYS 17 12.590 7.762 -6.250 110 HZ1 LYS 17 HZ1 LYS 17 14.548 6.115 -7.480 111 HZ2 LYS 17 HZ2 LYS 17 14.671 7.059 -6.083 112 HZ3 LYS 17 HZ3 LYS 17 14.988 7.744 -7.597 113 H HIS 18 H HIS 18 9.311 8.785 -9.510 114 HA HIS 18 HA HIS 18 8.909 9.942 -11.428 115 HB2 HIS 18 HB2 HIS 18 7.765 7.383 -12.551 116 HB3 HIS 18 HB3 HIS 18 8.466 8.731 -13.443 117 HD1 HIS 18 HD1 HIS 18 9.431 5.697 -13.551 118 HD2 HIS 18 HD2 HIS 18 11.227 8.786 -11.431 119 HE1 HIS 18 HE1 HIS 18 11.824 4.992 -13.235 120 H LEU 19 H LEU 19 6.787 9.423 -9.319 121 HA LEU 19 HA LEU 19 4.586 10.595 -10.846 122 HB2 LEU 19 HB2 LEU 19 4.267 8.284 -8.936 123 HB3 LEU 19 HB3 LEU 19 2.948 9.179 -9.689 124 HG LEU 19 HG LEU 19 4.941 7.858 -11.460 125 HD11 LEU 19 HD11 LEU 19 3.112 5.900 -11.243 126 HD12 LEU 19 HD12 LEU 19 3.158 6.464 -9.573 127 HD13 LEU 19 HD13 LEU 19 4.638 5.915 -10.359 128 HD21 LEU 19 HD21 LEU 19 1.990 8.443 -11.553 129 HD22 LEU 19 HD22 LEU 19 2.821 7.461 -12.759 130 HD23 LEU 19 HD23 LEU 19 3.271 9.152 -12.537 131 H VAL 20 H VAL 20 3.007 11.697 -9.489 132 HA VAL 20 HA VAL 20 3.917 12.308 -6.772 133 HB VAL 20 HB VAL 20 3.399 14.753 -7.227 134 HG11 VAL 20 HG11 VAL 20 5.769 13.651 -8.727 135 HG12 VAL 20 HG12 VAL 20 5.624 15.229 -7.951 136 HG13 VAL 20 HG13 VAL 20 5.684 13.764 -6.969 137 HG21 VAL 20 HG21 VAL 20 4.139 14.610 -10.012 138 HG22 VAL 20 HG22 VAL 20 2.630 13.747 -9.712 139 HG23 VAL 20 HG23 VAL 20 2.783 15.443 -9.252 140 H CYS 21 H CYS 21 2.302 12.846 -5.341 141 HA CYS 21 HA CYS 21 -0.329 11.988 -5.996 142 HB2 CYS 21 HB2 CYS 21 0.467 11.647 -3.757 143 HB3 CYS 21 HB3 CYS 21 0.806 13.363 -3.557 144 H SER 22 H SER 22 -1.265 13.241 -7.559 145 HA SER 22 HA SER 22 -1.225 16.097 -7.491 146 HB2 SER 22 HB2 SER 22 -1.525 14.536 -9.537 147 HB3 SER 22 HB3 SER 22 -3.219 14.473 -9.053 148 HG SER 22 HG SER 22 -1.830 16.908 -9.440 149 H ARG 23 H ARG 23 -2.139 16.977 -5.708 150 HA ARG 23 HA ARG 23 -4.486 16.002 -4.457 151 HB2 ARG 23 HB2 ARG 23 -3.144 18.706 -4.291 152 HB3 ARG 23 HB3 ARG 23 -4.452 18.178 -3.241 153 HG2 ARG 23 HG2 ARG 23 -3.089 16.456 -2.296 154 HG3 ARG 23 HG3 ARG 23 -1.805 16.766 -3.467 155 HD2 ARG 23 HD2 ARG 23 -1.188 18.757 -2.457 156 HD3 ARG 23 HD3 ARG 23 -2.754 18.958 -1.671 157 HE ARG 23 HE ARG 23 -1.932 17.803 0.111 158 HH11 ARG 23 HH11 ARG 23 -0.024 17.011 -2.692 159 HH12 ARG 23 HH12 ARG 23 1.108 16.042 -1.809 160 HH21 ARG 23 HH21 ARG 23 -0.448 16.529 1.285 161 HH22 ARG 23 HH22 ARG 23 0.865 15.767 0.453 162 H ARG 24 H ARG 24 -3.962 17.967 -7.212 163 HA ARG 24 HA ARG 24 -6.577 19.217 -7.124 164 HB2 ARG 24 HB2 ARG 24 -4.358 19.266 -9.172 165 HB3 ARG 24 HB3 ARG 24 -5.890 20.106 -9.380 166 HG2 ARG 24 HG2 ARG 24 -4.993 20.907 -6.877 167 HG3 ARG 24 HG3 ARG 24 -3.547 20.884 -7.889 168 HD2 ARG 24 HD2 ARG 24 -4.378 23.029 -8.208 169 HD3 ARG 24 HD3 ARG 24 -5.001 22.149 -9.602 170 HE ARG 24 HE ARG 24 -7.006 21.913 -7.826 171 HH11 ARG 24 HH11 ARG 24 -5.170 24.651 -8.946 172 HH12 ARG 24 HH12 ARG 24 -6.470 25.775 -8.733 173 HH21 ARG 24 HH21 ARG 24 -8.726 23.384 -7.542 174 HH22 ARG 24 HH22 ARG 24 -8.492 25.054 -7.933 175 H HIS 25 H HIS 25 -4.880 16.893 -9.222 176 HA HIS 25 HA HIS 25 -7.189 16.290 -10.777 177 HB2 HIS 25 HB2 HIS 25 -4.461 15.074 -10.488 178 HB3 HIS 25 HB3 HIS 25 -5.711 14.227 -11.395 179 HD1 HIS 25 HD1 HIS 25 -6.250 15.078 -13.719 180 HD2 HIS 25 HD2 HIS 25 -3.627 17.546 -11.648 181 HE1 HIS 25 HE1 HIS 25 -5.401 16.730 -15.415 182 H GLY 26 H GLY 26 -5.808 15.010 -7.837 183 HA2 GLY 26 HA2 GLY 26 -6.988 13.773 -6.230 184 HA3 GLY 26 HA3 GLY 26 -8.212 13.411 -7.438 185 H TRP 27 H TRP 27 -4.991 12.931 -8.458 186 HA TRP 27 HA TRP 27 -4.749 10.219 -7.541 187 HB2 TRP 27 HB2 TRP 27 -4.829 9.183 -9.779 188 HB3 TRP 27 HB3 TRP 27 -6.380 9.885 -9.326 189 HD1 TRP 27 HD1 TRP 27 -3.257 11.180 -11.261 190 HE1 TRP 27 HE1 TRP 27 -4.096 12.463 -13.329 191 HE3 TRP 27 HE3 TRP 27 -8.293 10.667 -10.546 192 HZ2 TRP 27 HZ2 TRP 27 -6.565 13.165 -14.501 193 HZ3 TRP 27 HZ3 TRP 27 -9.825 11.674 -12.186 194 HH2 TRP 27 HH2 TRP 27 -8.978 12.898 -14.122 195 H CYS 28 H CYS 28 -2.775 9.173 -8.375 196 HA CYS 28 HA CYS 28 -0.577 10.935 -8.299 197 HB2 CYS 28 HB2 CYS 28 -0.644 8.057 -9.231 198 HB3 CYS 28 HB3 CYS 28 0.790 8.955 -8.746 199 H VAL 29 H VAL 29 0.381 12.078 -9.844 200 HA VAL 29 HA VAL 29 -0.214 11.403 -12.652 201 HB VAL 29 HB VAL 29 0.246 13.804 -13.151 202 HG11 VAL 29 HG11 VAL 29 -2.036 12.768 -11.614 203 HG12 VAL 29 HG12 VAL 29 -1.905 14.526 -11.677 204 HG13 VAL 29 HG13 VAL 29 -1.995 13.594 -13.171 205 HG21 VAL 29 HG21 VAL 29 0.103 15.386 -11.215 206 HG22 VAL 29 HG22 VAL 29 0.317 14.000 -10.145 207 HG23 VAL 29 HG23 VAL 29 1.590 14.440 -11.283 208 H TRP 30 H TRP 30 1.473 11.959 -14.218 209 HA TRP 30 HA TRP 30 3.944 10.837 -13.574 210 HB2 TRP 30 HB2 TRP 30 3.111 12.627 -15.859 211 HB3 TRP 30 HB3 TRP 30 4.706 11.888 -15.754 212 HD1 TRP 30 HD1 TRP 30 1.739 11.326 -17.573 213 HE1 TRP 30 HE1 TRP 30 1.342 8.843 -18.124 214 HE3 TRP 30 HE3 TRP 30 4.960 9.222 -14.206 215 HZ2 TRP 30 HZ2 TRP 30 2.271 6.326 -17.247 216 HZ3 TRP 30 HZ3 TRP 30 5.146 6.769 -14.126 217 HH2 TRP 30 HH2 TRP 30 3.828 5.353 -15.616 218 H ASP 31 H ASP 31 5.527 11.601 -12.355 219 HA ASP 31 HA ASP 31 5.631 14.299 -11.471 220 HB2 ASP 31 HB2 ASP 31 6.448 12.389 -10.122 221 HB3 ASP 31 HB3 ASP 31 7.760 12.158 -11.274 222 H GLY 32 H GLY 32 6.406 16.000 -12.520 223 HA2 GLY 32 HA2 GLY 32 8.354 17.058 -13.530 224 HA3 GLY 32 HA3 GLY 32 8.613 15.574 -14.435 225 H THR 33 H THR 33 5.546 15.544 -14.778 226 HA THR 33 HA THR 33 5.528 17.383 -17.080 227 HB THR 33 HB THR 33 4.048 15.916 -18.219 228 HG1 THR 33 HG1 THR 33 2.678 14.777 -17.091 229 HG21 THR 33 HG21 THR 33 5.665 13.757 -17.048 230 HG22 THR 33 HG22 THR 33 6.582 15.168 -17.576 231 HG23 THR 33 HG23 THR 33 5.549 14.309 -18.718 232 H PHE 34 H PHE 34 3.643 16.164 -14.361 233 HA PHE 34 HA PHE 34 1.223 17.417 -14.794 234 HB2 PHE 34 HB2 PHE 34 0.797 17.179 -12.462 235 HB3 PHE 34 HB3 PHE 34 1.819 15.821 -12.922 236 HD1 PHE 34 HD1 PHE 34 4.346 16.079 -12.517 237 HD2 PHE 34 HD2 PHE 34 1.391 18.534 -10.683 238 HE1 PHE 34 HE1 PHE 34 5.951 16.688 -10.754 239 HE2 PHE 34 HE2 PHE 34 2.991 19.147 -8.918 240 HZ PHE 34 HZ PHE 34 5.275 18.225 -8.952 241 H SER 35 H SER 35 0.359 19.297 -13.446 242 HA SER 35 HA SER 35 1.927 21.622 -14.105 243 HB2 SER 35 HB2 SER 35 -0.657 21.318 -14.259 244 HB3 SER 35 HB3 SER 35 -0.638 21.716 -12.541 245 HG SER 35 HG SER 35 -0.521 23.711 -13.155 Start of MODEL 3 1 H1 GLU 1 H GLU 1 1.557 -0.037 0.731 2 HA GLU 1 HA GLU 1 3.282 0.076 -0.763 3 HB2 GLU 1 HB2 GLU 1 1.297 -1.420 -2.455 4 HB3 GLU 1 HB3 GLU 1 2.831 -0.875 -3.119 5 HG2 GLU 1 HG2 GLU 1 3.506 -2.916 -2.468 6 HG3 GLU 1 HG3 GLU 1 3.725 -2.104 -0.919 7 H CYS 2 H CYS 2 3.786 1.088 -3.008 8 HA CYS 2 HA CYS 2 2.523 3.665 -3.037 9 HB2 CYS 2 HB2 CYS 2 4.189 4.287 -4.633 10 HB3 CYS 2 HB3 CYS 2 4.978 3.256 -3.443 11 H ARG 3 H ARG 3 1.396 4.626 -4.758 12 HA ARG 3 HA ARG 3 -0.069 2.702 -6.409 13 HB2 ARG 3 HB2 ARG 3 -0.658 5.624 -5.901 14 HB3 ARG 3 HB3 ARG 3 -1.705 4.477 -6.727 15 HG2 ARG 3 HG2 ARG 3 -1.066 3.409 -4.176 16 HG3 ARG 3 HG3 ARG 3 -1.579 5.085 -3.968 17 HD2 ARG 3 HD2 ARG 3 -3.683 4.686 -4.824 18 HD3 ARG 3 HD3 ARG 3 -3.153 3.281 -5.748 19 HE ARG 3 HE ARG 3 -2.896 2.748 -2.996 20 HH11 ARG 3 HH11 ARG 3 -5.329 3.173 -5.450 21 HH12 ARG 3 HH12 ARG 3 -6.487 2.154 -4.662 22 HH21 ARG 3 HH21 ARG 3 -4.413 1.405 -1.949 23 HH22 ARG 3 HH22 ARG 3 -5.966 1.150 -2.670 24 H TYR 4 H TYR 4 -0.521 3.214 -8.651 25 HA TYR 4 HA TYR 4 1.784 4.501 -9.925 26 HB2 TYR 4 HB2 TYR 4 1.068 3.277 -11.958 27 HB3 TYR 4 HB3 TYR 4 1.391 2.202 -10.602 28 HD1 TYR 4 HD1 TYR 4 -0.424 1.006 -9.501 29 HD2 TYR 4 HD2 TYR 4 -1.181 3.566 -12.814 30 HE1 TYR 4 HE1 TYR 4 -2.658 0.010 -9.752 31 HE2 TYR 4 HE2 TYR 4 -3.418 2.578 -13.074 32 HH TYR 4 HH TYR 4 -4.738 0.373 -10.718 33 H TRP 5 H TRP 5 0.896 5.153 -12.364 34 HA TRP 5 HA TRP 5 -0.235 7.648 -12.088 35 HB2 TRP 5 HB2 TRP 5 0.918 6.572 -14.132 36 HB3 TRP 5 HB3 TRP 5 -0.689 5.994 -14.561 37 HD1 TRP 5 HD1 TRP 5 0.394 9.497 -13.276 38 HE1 TRP 5 HE1 TRP 5 -0.452 11.250 -14.961 39 HE3 TRP 5 HE3 TRP 5 -1.649 6.358 -16.756 40 HZ2 TRP 5 HZ2 TRP 5 -1.807 11.295 -17.437 41 HZ3 TRP 5 HZ3 TRP 5 -2.701 7.336 -18.754 42 HH2 TRP 5 HH2 TRP 5 -2.778 9.754 -19.085 43 H LEU 6 H LEU 6 -2.245 8.465 -11.930 44 HA LEU 6 HA LEU 6 -4.487 8.556 -11.566 45 HB2 LEU 6 HB2 LEU 6 -4.739 6.201 -13.411 46 HB3 LEU 6 HB3 LEU 6 -5.897 7.499 -13.130 47 HG LEU 6 HG LEU 6 -3.322 7.630 -14.687 48 HD11 LEU 6 HD11 LEU 6 -4.794 8.262 -16.522 49 HD12 LEU 6 HD12 LEU 6 -6.195 8.120 -15.460 50 HD13 LEU 6 HD13 LEU 6 -5.246 6.690 -15.863 51 HD21 LEU 6 HD21 LEU 6 -3.362 9.672 -13.516 52 HD22 LEU 6 HD22 LEU 6 -5.110 9.834 -13.694 53 HD23 LEU 6 HD23 LEU 6 -4.059 10.025 -15.098 54 H GLY 7 H GLY 7 -2.767 6.690 -9.980 55 HA2 GLY 7 HA2 GLY 7 -4.332 4.392 -9.343 56 HA3 GLY 7 HA3 GLY 7 -2.986 5.024 -8.406 57 H GLY 8 H GLY 8 -4.051 7.627 -7.944 58 HA2 GLY 8 HA2 GLY 8 -5.907 8.677 -6.869 59 HA3 GLY 8 HA3 GLY 8 -6.517 7.086 -6.440 60 H CYS 9 H CYS 9 -4.089 9.520 -5.699 61 HA CYS 9 HA CYS 9 -3.138 8.143 -3.360 62 HB2 CYS 9 HB2 CYS 9 -1.737 10.062 -3.005 63 HB3 CYS 9 HB3 CYS 9 -1.734 9.704 -4.729 64 H SER 10 H SER 10 -2.953 9.977 -1.400 65 HA SER 10 HA SER 10 -5.493 11.232 -0.876 66 HB2 SER 10 HB2 SER 10 -5.350 8.569 -0.214 67 HB3 SER 10 HB3 SER 10 -4.878 9.352 1.295 68 HG SER 10 HG SER 10 -6.850 10.730 0.775 69 H ALA 11 H ALA 11 -5.368 11.566 1.819 70 HA ALA 11 HA ALA 11 -3.256 13.471 2.080 71 HB1 ALA 11 HB1 ALA 11 -5.589 13.632 3.072 72 HB2 ALA 11 HB2 ALA 11 -5.025 12.512 4.313 73 HB3 ALA 11 HB3 ALA 11 -4.247 14.084 4.124 74 H GLY 12 H GLY 12 -3.632 10.143 2.898 75 HA2 GLY 12 HA2 GLY 12 -1.073 10.254 4.371 76 HA3 GLY 12 HA3 GLY 12 -2.388 9.199 4.866 77 H GLN 13 H GLN 13 -1.880 9.626 1.488 78 HA GLN 13 HA GLN 13 -0.755 6.910 1.351 79 HB2 GLN 13 HB2 GLN 13 -2.816 8.325 -0.196 80 HB3 GLN 13 HB3 GLN 13 -1.662 7.431 -1.176 81 HG2 GLN 13 HG2 GLN 13 -2.144 5.435 0.275 82 HG3 GLN 13 HG3 GLN 13 -3.468 6.365 0.974 83 HE21 GLN 13 HE21 GLN 13 -2.247 5.976 -2.334 84 HE22 GLN 13 HE22 GLN 13 -3.755 5.479 -3.015 85 H THR 14 H THR 14 0.415 6.596 -0.881 86 HA THR 14 HA THR 14 2.095 8.924 -1.484 87 HB THR 14 HB THR 14 3.448 6.273 -1.299 88 HG1 THR 14 HG1 THR 14 3.323 7.920 0.989 89 HG21 THR 14 HG21 THR 14 5.139 8.109 -0.276 90 HG22 THR 14 HG22 THR 14 4.159 9.139 -1.319 91 HG23 THR 14 HG23 THR 14 5.012 7.754 -1.999 92 H CYS 15 H CYS 15 3.487 8.507 -3.447 93 HA CYS 15 HA CYS 15 2.078 6.759 -5.356 94 HB2 CYS 15 HB2 CYS 15 3.229 9.510 -5.869 95 HB3 CYS 15 HB3 CYS 15 2.561 8.450 -7.106 96 H CYS 16 H CYS 16 3.309 5.586 -6.770 97 HA CYS 16 HA CYS 16 5.869 4.817 -6.051 98 HB2 CYS 16 HB2 CYS 16 4.522 4.663 -8.755 99 HB3 CYS 16 HB3 CYS 16 6.010 3.818 -8.339 100 H LYS 17 H LYS 17 7.771 4.917 -7.712 101 HA LYS 17 HA LYS 17 8.756 7.542 -7.709 102 HB2 LYS 17 HB2 LYS 17 10.031 5.299 -7.826 103 HB3 LYS 17 HB3 LYS 17 9.776 5.405 -9.563 104 HG2 LYS 17 HG2 LYS 17 11.495 6.779 -9.774 105 HG3 LYS 17 HG3 LYS 17 10.797 7.896 -8.599 106 HD2 LYS 17 HD2 LYS 17 12.729 7.372 -7.505 107 HD3 LYS 17 HD3 LYS 17 11.699 6.075 -6.894 108 HE2 LYS 17 HE2 LYS 17 12.655 4.981 -9.198 109 HE3 LYS 17 HE3 LYS 17 14.024 5.965 -8.682 110 HZ1 LYS 17 HZ1 LYS 17 12.850 3.610 -7.423 111 HZ2 LYS 17 HZ2 LYS 17 13.438 4.814 -6.392 112 HZ3 LYS 17 HZ3 LYS 17 14.469 4.090 -7.522 113 H HIS 18 H HIS 18 9.351 8.886 -9.524 114 HA HIS 18 HA HIS 18 8.895 10.058 -11.420 115 HB2 HIS 18 HB2 HIS 18 8.533 7.240 -12.205 116 HB3 HIS 18 HB3 HIS 18 7.730 8.409 -13.250 117 HD1 HIS 18 HD1 HIS 18 9.160 8.885 -15.197 118 HD2 HIS 18 HD2 HIS 18 11.403 8.375 -11.737 119 HE1 HIS 18 HE1 HIS 18 11.550 9.255 -15.885 120 H LEU 19 H LEU 19 6.807 9.500 -9.291 121 HA LEU 19 HA LEU 19 4.573 10.650 -10.784 122 HB2 LEU 19 HB2 LEU 19 4.304 8.316 -8.895 123 HB3 LEU 19 HB3 LEU 19 2.966 9.198 -9.629 124 HG LEU 19 HG LEU 19 4.959 7.938 -11.440 125 HD11 LEU 19 HD11 LEU 19 3.358 6.474 -9.482 126 HD12 LEU 19 HD12 LEU 19 4.729 5.944 -10.456 127 HD13 LEU 19 HD13 LEU 19 3.107 5.954 -11.148 128 HD21 LEU 19 HD21 LEU 19 2.001 8.479 -11.460 129 HD22 LEU 19 HD22 LEU 19 2.790 7.466 -12.670 130 HD23 LEU 19 HD23 LEU 19 3.249 9.161 -12.503 131 H VAL 20 H VAL 20 3.008 11.738 -9.414 132 HA VAL 20 HA VAL 20 3.918 12.316 -6.690 133 HB VAL 20 HB VAL 20 3.470 14.753 -7.068 134 HG11 VAL 20 HG11 VAL 20 5.685 13.801 -8.857 135 HG12 VAL 20 HG12 VAL 20 5.645 15.216 -7.802 136 HG13 VAL 20 HG13 VAL 20 5.753 13.598 -7.106 137 HG21 VAL 20 HG21 VAL 20 2.145 14.733 -9.036 138 HG22 VAL 20 HG22 VAL 20 3.666 15.517 -9.462 139 HG23 VAL 20 HG23 VAL 20 3.374 13.844 -9.936 140 H CYS 21 H CYS 21 2.302 12.817 -5.252 141 HA CYS 21 HA CYS 21 -0.325 11.966 -5.912 142 HB2 CYS 21 HB2 CYS 21 0.470 11.614 -3.676 143 HB3 CYS 21 HB3 CYS 21 0.805 13.330 -3.465 144 H SER 22 H SER 22 -1.266 13.225 -7.468 145 HA SER 22 HA SER 22 -1.245 16.085 -7.362 146 HB2 SER 22 HB2 SER 22 -1.497 14.543 -9.435 147 HB3 SER 22 HB3 SER 22 -3.201 14.475 -8.985 148 HG SER 22 HG SER 22 -2.280 16.244 -10.480 149 H ARG 23 H ARG 23 -2.215 16.960 -5.616 150 HA ARG 23 HA ARG 23 -4.581 15.927 -4.426 151 HB2 ARG 23 HB2 ARG 23 -3.142 18.563 -4.140 152 HB3 ARG 23 HB3 ARG 23 -4.579 18.154 -3.214 153 HG2 ARG 23 HG2 ARG 23 -3.382 16.188 -2.307 154 HG3 ARG 23 HG3 ARG 23 -1.933 16.722 -3.160 155 HD2 ARG 23 HD2 ARG 23 -1.433 17.989 -1.405 156 HD3 ARG 23 HD3 ARG 23 -2.865 18.958 -1.751 157 HE ARG 23 HE ARG 23 -3.921 17.975 0.030 158 HH11 ARG 23 HH11 ARG 23 -1.071 16.144 -0.770 159 HH12 ARG 23 HH12 ARG 23 -1.166 15.134 0.634 160 HH21 ARG 23 HH21 ARG 23 -4.058 16.652 1.883 161 HH22 ARG 23 HH22 ARG 23 -2.867 15.424 2.142 162 H ARG 24 H ARG 24 -3.998 17.934 -7.126 163 HA ARG 24 HA ARG 24 -6.599 19.216 -7.058 164 HB2 ARG 24 HB2 ARG 24 -4.281 19.301 -8.978 165 HB3 ARG 24 HB3 ARG 24 -5.828 20.045 -9.361 166 HG2 ARG 24 HG2 ARG 24 -4.913 20.835 -6.741 167 HG3 ARG 24 HG3 ARG 24 -3.709 21.192 -7.982 168 HD2 ARG 24 HD2 ARG 24 -6.447 21.868 -8.755 169 HD3 ARG 24 HD3 ARG 24 -5.864 22.762 -7.352 170 HE ARG 24 HE ARG 24 -3.914 22.796 -9.391 171 HH11 ARG 24 HH11 ARG 24 -7.026 24.132 -8.582 172 HH12 ARG 24 HH12 ARG 24 -6.793 25.575 -9.512 173 HH21 ARG 24 HH21 ARG 24 -3.596 24.691 -10.619 174 HH22 ARG 24 HH22 ARG 24 -4.842 25.892 -10.671 175 H HIS 25 H HIS 25 -4.918 16.764 -8.991 176 HA HIS 25 HA HIS 25 -7.223 16.249 -10.634 177 HB2 HIS 25 HB2 HIS 25 -4.478 15.077 -10.389 178 HB3 HIS 25 HB3 HIS 25 -5.723 14.184 -11.258 179 HD1 HIS 25 HD1 HIS 25 -6.459 15.092 -13.539 180 HD2 HIS 25 HD2 HIS 25 -3.615 17.452 -11.640 181 HE1 HIS 25 HE1 HIS 25 -5.660 16.718 -15.284 182 H GLY 26 H GLY 26 -5.845 14.954 -7.705 183 HA2 GLY 26 HA2 GLY 26 -7.020 13.689 -6.117 184 HA3 GLY 26 HA3 GLY 26 -8.229 13.319 -7.338 185 H TRP 27 H TRP 27 -4.998 12.891 -8.342 186 HA TRP 27 HA TRP 27 -4.721 10.177 -7.439 187 HB2 TRP 27 HB2 TRP 27 -4.776 9.153 -9.684 188 HB3 TRP 27 HB3 TRP 27 -6.339 9.828 -9.231 189 HD1 TRP 27 HD1 TRP 27 -3.231 11.178 -11.152 190 HE1 TRP 27 HE1 TRP 27 -4.084 12.462 -13.213 191 HE3 TRP 27 HE3 TRP 27 -8.261 10.594 -10.448 192 HZ2 TRP 27 HZ2 TRP 27 -6.561 13.138 -14.386 193 HZ3 TRP 27 HZ3 TRP 27 -9.804 11.590 -12.085 194 HH2 TRP 27 HH2 TRP 27 -8.970 12.836 -14.012 195 H CYS 28 H CYS 28 -2.740 9.152 -8.335 196 HA CYS 28 HA CYS 28 -0.563 10.953 -8.225 197 HB2 CYS 28 HB2 CYS 28 -0.581 8.075 -9.161 198 HB3 CYS 28 HB3 CYS 28 0.835 8.995 -8.664 199 H VAL 29 H VAL 29 0.399 12.096 -9.769 200 HA VAL 29 HA VAL 29 -0.198 11.425 -12.577 201 HB VAL 29 HB VAL 29 0.253 13.829 -13.072 202 HG11 VAL 29 HG11 VAL 29 -1.985 13.652 -13.088 203 HG12 VAL 29 HG12 VAL 29 -2.025 12.764 -11.563 204 HG13 VAL 29 HG13 VAL 29 -1.896 14.524 -11.558 205 HG21 VAL 29 HG21 VAL 29 0.111 15.406 -11.133 206 HG22 VAL 29 HG22 VAL 29 0.331 14.019 -10.065 207 HG23 VAL 29 HG23 VAL 29 1.600 14.464 -11.205 208 H TRP 30 H TRP 30 1.487 12.027 -14.144 209 HA TRP 30 HA TRP 30 3.964 10.900 -13.505 210 HB2 TRP 30 HB2 TRP 30 3.138 12.698 -15.788 211 HB3 TRP 30 HB3 TRP 30 4.718 11.927 -15.687 212 HD1 TRP 30 HD1 TRP 30 1.725 11.426 -17.490 213 HE1 TRP 30 HE1 TRP 30 1.281 8.952 -18.046 214 HE3 TRP 30 HE3 TRP 30 4.937 9.255 -14.156 215 HZ2 TRP 30 HZ2 TRP 30 2.174 6.416 -17.185 216 HZ3 TRP 30 HZ3 TRP 30 5.082 6.800 -14.086 217 HH2 TRP 30 HH2 TRP 30 3.727 5.412 -15.569 218 H ASP 31 H ASP 31 5.724 11.673 -12.541 219 HA ASP 31 HA ASP 31 5.768 14.424 -11.655 220 HB2 ASP 31 HB2 ASP 31 6.451 12.518 -10.185 221 HB3 ASP 31 HB3 ASP 31 7.848 12.270 -11.230 222 H GLY 32 H GLY 32 6.729 16.039 -12.692 223 HA2 GLY 32 HA2 GLY 32 8.812 16.887 -13.666 224 HA3 GLY 32 HA3 GLY 32 8.913 15.384 -14.571 225 H THR 33 H THR 33 5.886 15.632 -14.965 226 HA THR 33 HA THR 33 5.999 17.637 -17.124 227 HB THR 33 HB THR 33 5.969 15.528 -18.210 228 HG1 THR 33 HG1 THR 33 4.275 15.952 -19.446 229 HG21 THR 33 HG21 THR 33 5.372 14.071 -16.398 230 HG22 THR 33 HG22 THR 33 4.210 13.824 -17.701 231 HG23 THR 33 HG23 THR 33 3.763 14.784 -16.291 232 H PHE 34 H PHE 34 4.091 16.132 -14.603 233 HA PHE 34 HA PHE 34 1.591 17.199 -15.068 234 HB2 PHE 34 HB2 PHE 34 1.111 16.818 -12.772 235 HB3 PHE 34 HB3 PHE 34 2.285 15.588 -13.230 236 HD1 PHE 34 HD2 PHE 34 4.790 16.229 -12.789 237 HD2 PHE 34 HD1 PHE 34 1.455 18.025 -10.848 238 HE1 PHE 34 HE2 PHE 34 6.251 16.938 -10.941 239 HE2 PHE 34 HE1 PHE 34 2.911 18.737 -8.997 240 HZ PHE 34 HZ PHE 34 5.312 18.192 -9.041 241 H SER 35 H SER 35 0.528 18.952 -13.708 242 HA SER 35 HA SER 35 2.290 21.311 -13.569 243 HB2 SER 35 HB2 SER 35 -0.331 22.222 -14.036 244 HB3 SER 35 HB3 SER 35 1.026 22.255 -15.161 245 HG SER 35 HG SER 35 -1.184 20.911 -15.434 Start of MODEL 4 1 H1 GLU 1 H GLU 1 1.898 -0.307 0.944 2 HA GLU 1 HA GLU 1 3.190 -0.067 -0.953 3 HB2 GLU 1 HB2 GLU 1 0.807 -1.602 -1.409 4 HB3 GLU 1 HB3 GLU 1 1.264 -0.782 -2.896 5 HG2 GLU 1 HG2 GLU 1 2.414 -2.752 -3.085 6 HG3 GLU 1 HG3 GLU 1 3.634 -1.703 -2.363 7 H CYS 2 H CYS 2 3.621 1.079 -2.902 8 HA CYS 2 HA CYS 2 2.404 3.678 -2.962 9 HB2 CYS 2 HB2 CYS 2 4.082 4.252 -4.564 10 HB3 CYS 2 HB3 CYS 2 4.851 3.223 -3.360 11 H ARG 3 H ARG 3 1.287 4.637 -4.686 12 HA ARG 3 HA ARG 3 -0.208 2.723 -6.319 13 HB2 ARG 3 HB2 ARG 3 -0.743 5.662 -5.853 14 HB3 ARG 3 HB3 ARG 3 -1.811 4.522 -6.659 15 HG2 ARG 3 HG2 ARG 3 -1.184 3.486 -4.090 16 HG3 ARG 3 HG3 ARG 3 -1.677 5.171 -3.912 17 HD2 ARG 3 HD2 ARG 3 -3.577 3.613 -3.766 18 HD3 ARG 3 HD3 ARG 3 -3.728 4.736 -5.117 19 HE ARG 3 HE ARG 3 -3.684 2.952 -6.537 20 HH11 ARG 3 HH11 ARG 3 -2.366 1.968 -3.469 21 HH12 ARG 3 HH12 ARG 3 -2.236 0.299 -3.913 22 HH21 ARG 3 HH21 ARG 3 -3.518 0.756 -7.133 23 HH22 ARG 3 HH22 ARG 3 -2.891 -0.389 -5.998 24 H TYR 4 H TYR 4 -0.655 3.224 -8.568 25 HA TYR 4 HA TYR 4 1.676 4.451 -9.856 26 HB2 TYR 4 HB2 TYR 4 0.945 3.212 -11.873 27 HB3 TYR 4 HB3 TYR 4 1.248 2.150 -10.503 28 HD1 TYR 4 HD1 TYR 4 -0.593 1.005 -9.384 29 HD2 TYR 4 HD2 TYR 4 -1.294 3.520 -12.744 30 HE1 TYR 4 HE1 TYR 4 -2.843 0.042 -9.627 31 HE2 TYR 4 HE2 TYR 4 -3.546 2.565 -12.996 32 HH TYR 4 HH TYR 4 -4.993 0.610 -10.600 33 H TRP 5 H TRP 5 0.800 5.084 -12.305 34 HA TRP 5 HA TRP 5 -0.289 7.601 -12.066 35 HB2 TRP 5 HB2 TRP 5 0.845 6.477 -14.094 36 HB3 TRP 5 HB3 TRP 5 -0.772 5.917 -14.514 37 HD1 TRP 5 HD1 TRP 5 0.371 9.422 -13.286 38 HE1 TRP 5 HE1 TRP 5 -0.452 11.162 -14.995 39 HE3 TRP 5 HE3 TRP 5 -1.736 6.263 -16.708 40 HZ2 TRP 5 HZ2 TRP 5 -1.815 11.190 -17.467 41 HZ3 TRP 5 HZ3 TRP 5 -2.780 7.227 -18.717 42 HH2 TRP 5 HH2 TRP 5 -2.818 9.640 -19.086 43 H LEU 6 H LEU 6 -2.287 8.457 -11.938 44 HA LEU 6 HA LEU 6 -4.526 8.590 -11.566 45 HB2 LEU 6 HB2 LEU 6 -4.817 6.215 -13.380 46 HB3 LEU 6 HB3 LEU 6 -5.955 7.536 -13.116 47 HG LEU 6 HG LEU 6 -3.379 7.604 -14.676 48 HD11 LEU 6 HD11 LEU 6 -6.244 8.133 -15.452 49 HD12 LEU 6 HD12 LEU 6 -5.318 6.684 -15.840 50 HD13 LEU 6 HD13 LEU 6 -4.842 8.241 -16.517 51 HD21 LEU 6 HD21 LEU 6 -5.127 9.851 -13.710 52 HD22 LEU 6 HD22 LEU 6 -4.072 10.007 -15.115 53 HD23 LEU 6 HD23 LEU 6 -3.383 9.661 -13.529 54 H GLY 7 H GLY 7 -2.838 6.715 -9.956 55 HA2 GLY 7 HA2 GLY 7 -4.445 4.454 -9.288 56 HA3 GLY 7 HA3 GLY 7 -3.086 5.073 -8.360 57 H GLY 8 H GLY 8 -4.127 7.711 -7.960 58 HA2 GLY 8 HA2 GLY 8 -5.951 8.807 -6.888 59 HA3 GLY 8 HA3 GLY 8 -6.594 7.234 -6.441 60 H CYS 9 H CYS 9 -4.118 9.626 -5.723 61 HA CYS 9 HA CYS 9 -3.208 8.257 -3.362 62 HB2 CYS 9 HB2 CYS 9 -1.757 10.144 -3.031 63 HB3 CYS 9 HB3 CYS 9 -1.754 9.754 -4.748 64 H SER 10 H SER 10 -2.978 10.116 -1.431 65 HA SER 10 HA SER 10 -5.484 11.448 -0.935 66 HB2 SER 10 HB2 SER 10 -5.777 8.942 -0.343 67 HB3 SER 10 HB3 SER 10 -4.744 9.303 1.041 68 HG SER 10 HG SER 10 -7.366 9.913 0.621 69 H ALA 11 H ALA 11 -5.358 11.823 1.754 70 HA ALA 11 HA ALA 11 -3.194 13.672 1.992 71 HB1 ALA 11 HB1 ALA 11 -4.170 13.699 4.455 72 HB2 ALA 11 HB2 ALA 11 -5.006 14.480 3.111 73 HB3 ALA 11 HB3 ALA 11 -5.518 12.885 3.662 74 H GLY 12 H GLY 12 -3.671 10.371 2.870 75 HA2 GLY 12 HA2 GLY 12 -1.118 10.436 4.357 76 HA3 GLY 12 HA3 GLY 12 -2.463 9.418 4.850 77 H GLN 13 H GLN 13 -1.918 9.793 1.473 78 HA GLN 13 HA GLN 13 -0.850 7.053 1.377 79 HB2 GLN 13 HB2 GLN 13 -2.872 8.491 -0.200 80 HB3 GLN 13 HB3 GLN 13 -1.732 7.558 -1.161 81 HG2 GLN 13 HG2 GLN 13 -2.266 5.593 0.315 82 HG3 GLN 13 HG3 GLN 13 -3.573 6.562 0.992 83 HE21 GLN 13 HE21 GLN 13 -2.341 6.100 -2.302 84 HE22 GLN 13 HE22 GLN 13 -3.855 5.625 -2.986 85 H THR 14 H THR 14 0.317 6.692 -0.855 86 HA THR 14 HA THR 14 2.051 8.975 -1.473 87 HB THR 14 HB THR 14 3.346 6.298 -1.249 88 HG1 THR 14 HG1 THR 14 2.559 6.325 0.778 89 HG21 THR 14 HG21 THR 14 4.119 9.147 -1.307 90 HG22 THR 14 HG22 THR 14 4.947 7.733 -1.960 91 HG23 THR 14 HG23 THR 14 5.071 8.113 -0.243 92 H CYS 15 H CYS 15 3.441 8.508 -3.425 93 HA CYS 15 HA CYS 15 2.006 6.767 -5.319 94 HB2 CYS 15 HB2 CYS 15 3.205 9.494 -5.846 95 HB3 CYS 15 HB3 CYS 15 2.550 8.431 -7.087 96 H CYS 16 H CYS 16 3.219 5.552 -6.714 97 HA CYS 16 HA CYS 16 5.757 4.736 -5.975 98 HB2 CYS 16 HB2 CYS 16 4.411 4.585 -8.678 99 HB3 CYS 16 HB3 CYS 16 5.890 3.725 -8.264 100 H LYS 17 H LYS 17 7.676 4.782 -7.610 101 HA LYS 17 HA LYS 17 8.712 7.387 -7.630 102 HB2 LYS 17 HB2 LYS 17 9.944 5.119 -7.707 103 HB3 LYS 17 HB3 LYS 17 9.708 5.208 -9.448 104 HG2 LYS 17 HG2 LYS 17 11.442 6.564 -9.667 105 HG3 LYS 17 HG3 LYS 17 10.773 7.687 -8.480 106 HD2 LYS 17 HD2 LYS 17 12.794 7.072 -7.520 107 HD3 LYS 17 HD3 LYS 17 11.647 5.984 -6.735 108 HE2 LYS 17 HE2 LYS 17 12.382 4.145 -7.914 109 HE3 LYS 17 HE3 LYS 17 13.000 5.117 -9.249 110 HZ1 LYS 17 HZ1 LYS 17 14.977 5.352 -8.262 111 HZ2 LYS 17 HZ2 LYS 17 14.520 4.020 -7.326 112 HZ3 LYS 17 HZ3 LYS 17 14.315 5.588 -6.723 113 H HIS 18 H HIS 18 9.350 8.699 -9.453 114 HA HIS 18 HA HIS 18 8.937 9.858 -11.366 115 HB2 HIS 18 HB2 HIS 18 8.530 7.039 -12.123 116 HB3 HIS 18 HB3 HIS 18 7.759 8.210 -13.189 117 HD1 HIS 18 HD1 HIS 18 9.217 8.621 -15.130 118 HD2 HIS 18 HD2 HIS 18 11.415 8.145 -11.637 119 HE1 HIS 18 HE1 HIS 18 11.619 8.945 -15.798 120 H LEU 19 H LEU 19 6.816 9.361 -9.253 121 HA LEU 19 HA LEU 19 4.619 10.536 -10.782 122 HB2 LEU 19 HB2 LEU 19 4.282 8.234 -8.865 123 HB3 LEU 19 HB3 LEU 19 2.973 9.128 -9.635 124 HG LEU 19 HG LEU 19 4.980 7.782 -11.375 125 HD11 LEU 19 HD11 LEU 19 4.635 5.812 -10.381 126 HD12 LEU 19 HD12 LEU 19 3.031 5.882 -11.110 127 HD13 LEU 19 HD13 LEU 19 3.267 6.415 -9.446 128 HD21 LEU 19 HD21 LEU 19 2.872 7.393 -12.697 129 HD22 LEU 19 HD22 LEU 19 3.337 9.081 -12.486 130 HD23 LEU 19 HD23 LEU 19 2.036 8.396 -11.511 131 H VAL 20 H VAL 20 3.068 11.680 -9.449 132 HA VAL 20 HA VAL 20 3.967 12.276 -6.722 133 HB VAL 20 HB VAL 20 3.550 14.711 -7.135 134 HG11 VAL 20 HG11 VAL 20 5.718 15.105 -8.262 135 HG12 VAL 20 HG12 VAL 20 5.811 13.883 -6.993 136 HG13 VAL 20 HG13 VAL 20 5.775 13.394 -8.687 137 HG21 VAL 20 HG21 VAL 20 3.445 13.763 -9.991 138 HG22 VAL 20 HG22 VAL 20 2.225 14.679 -9.106 139 HG23 VAL 20 HG23 VAL 20 3.756 15.440 -9.539 140 H CYS 21 H CYS 21 2.352 12.841 -5.299 141 HA CYS 21 HA CYS 21 -0.284 12.004 -5.960 142 HB2 CYS 21 HB2 CYS 21 0.503 11.665 -3.717 143 HB3 CYS 21 HB3 CYS 21 0.852 13.380 -3.523 144 H SER 22 H SER 22 -1.207 13.257 -7.528 145 HA SER 22 HA SER 22 -1.144 16.116 -7.462 146 HB2 SER 22 HB2 SER 22 -1.429 14.550 -9.511 147 HB3 SER 22 HB3 SER 22 -3.131 14.513 -9.053 148 HG SER 22 HG SER 22 -2.703 16.982 -9.004 149 H ARG 23 H ARG 23 -2.097 17.044 -5.737 150 HA ARG 23 HA ARG 23 -4.467 16.065 -4.511 151 HB2 ARG 23 HB2 ARG 23 -3.189 18.797 -4.297 152 HB3 ARG 23 HB3 ARG 23 -4.411 18.146 -3.213 153 HG2 ARG 23 HG2 ARG 23 -2.661 16.229 -2.881 154 HG3 ARG 23 HG3 ARG 23 -1.527 17.454 -3.455 155 HD2 ARG 23 HD2 ARG 23 -1.444 18.173 -1.346 156 HD3 ARG 23 HD3 ARG 23 -3.066 18.811 -1.610 157 HE ARG 23 HE ARG 23 -3.046 16.058 -0.803 158 HH11 ARG 23 HH11 ARG 23 -2.956 19.355 0.310 159 HH12 ARG 23 HH12 ARG 23 -3.600 18.982 1.874 160 HH21 ARG 23 HH21 ARG 23 -3.895 15.554 1.253 161 HH22 ARG 23 HH22 ARG 23 -4.133 16.819 2.410 162 H ARG 24 H ARG 24 -3.867 18.046 -7.238 163 HA ARG 24 HA ARG 24 -6.458 19.342 -7.188 164 HB2 ARG 24 HB2 ARG 24 -4.143 19.371 -9.113 165 HB3 ARG 24 HB3 ARG 24 -5.685 20.115 -9.514 166 HG2 ARG 24 HG2 ARG 24 -4.416 20.854 -6.936 167 HG3 ARG 24 HG3 ARG 24 -3.711 21.485 -8.426 168 HD2 ARG 24 HD2 ARG 24 -5.716 22.580 -9.024 169 HD3 ARG 24 HD3 ARG 24 -6.646 21.699 -7.813 170 HE ARG 24 HE ARG 24 -4.852 23.052 -6.322 171 HH11 ARG 24 HH11 ARG 24 -7.051 24.017 -8.843 172 HH12 ARG 24 HH12 ARG 24 -7.273 25.617 -8.216 173 HH21 ARG 24 HH21 ARG 24 -5.137 25.156 -5.486 174 HH22 ARG 24 HH22 ARG 24 -6.184 26.264 -6.307 175 H HIS 25 H HIS 25 -4.806 16.865 -9.121 176 HA HIS 25 HA HIS 25 -7.120 16.338 -10.736 177 HB2 HIS 25 HB2 HIS 25 -4.395 15.124 -10.466 178 HB3 HIS 25 HB3 HIS 25 -5.653 14.244 -11.329 179 HD1 HIS 25 HD1 HIS 25 -6.360 15.136 -13.624 180 HD2 HIS 25 HD2 HIS 25 -3.483 17.468 -11.741 181 HE1 HIS 25 HE1 HIS 25 -5.524 16.724 -15.386 182 H GLY 26 H GLY 26 -5.750 15.064 -7.792 183 HA2 GLY 26 HA2 GLY 26 -6.940 13.844 -6.178 184 HA3 GLY 26 HA3 GLY 26 -8.163 13.482 -7.386 185 H TRP 27 H TRP 27 -4.944 12.977 -8.399 186 HA TRP 27 HA TRP 27 -4.719 10.269 -7.462 187 HB2 TRP 27 HB2 TRP 27 -4.803 9.218 -9.693 188 HB3 TRP 27 HB3 TRP 27 -6.350 9.932 -9.246 189 HD1 TRP 27 HD1 TRP 27 -3.218 11.196 -11.188 190 HE1 TRP 27 HE1 TRP 27 -4.049 12.469 -13.265 191 HE3 TRP 27 HE3 TRP 27 -8.258 10.715 -10.473 192 HZ2 TRP 27 HZ2 TRP 27 -6.514 13.176 -14.444 193 HZ3 TRP 27 HZ3 TRP 27 -9.784 11.719 -12.121 194 HH2 TRP 27 HH2 TRP 27 -8.928 12.924 -14.065 195 H CYS 28 H CYS 28 -2.760 9.195 -8.338 196 HA CYS 28 HA CYS 28 -0.547 10.950 -8.258 197 HB2 CYS 28 HB2 CYS 28 -0.634 8.064 -9.163 198 HB3 CYS 28 HB3 CYS 28 0.808 8.957 -8.691 199 H VAL 29 H VAL 29 0.434 12.059 -9.814 200 HA VAL 29 HA VAL 29 -0.183 11.376 -12.615 201 HB VAL 29 HB VAL 29 0.316 13.766 -13.132 202 HG11 VAL 29 HG11 VAL 29 -1.923 13.641 -13.148 203 HG12 VAL 29 HG12 VAL 29 -1.983 12.754 -11.624 204 HG13 VAL 29 HG13 VAL 29 -1.820 14.510 -11.617 205 HG21 VAL 29 HG21 VAL 29 0.393 13.981 -10.128 206 HG22 VAL 29 HG22 VAL 29 1.676 14.387 -11.268 207 HG23 VAL 29 HG23 VAL 29 0.208 15.363 -11.208 208 H TRP 30 H TRP 30 1.505 11.892 -14.192 209 HA TRP 30 HA TRP 30 3.965 10.741 -13.536 210 HB2 TRP 30 HB2 TRP 30 3.127 12.478 -15.858 211 HB3 TRP 30 HB3 TRP 30 4.726 11.747 -15.744 212 HD1 TRP 30 HD1 TRP 30 1.723 11.128 -17.505 213 HE1 TRP 30 HE1 TRP 30 1.343 8.632 -18.003 214 HE3 TRP 30 HE3 TRP 30 5.037 9.122 -14.169 215 HZ2 TRP 30 HZ2 TRP 30 2.319 6.142 -17.101 216 HZ3 TRP 30 HZ3 TRP 30 5.253 6.674 -14.049 217 HH2 TRP 30 HH2 TRP 30 3.921 5.216 -15.485 218 H ASP 31 H ASP 31 5.573 11.513 -12.355 219 HA ASP 31 HA ASP 31 5.713 14.247 -11.560 220 HB2 ASP 31 HB2 ASP 31 6.472 12.268 -10.185 221 HB3 ASP 31 HB3 ASP 31 7.871 12.156 -11.250 222 H GLY 32 H GLY 32 6.520 15.875 -12.695 223 HA2 GLY 32 HA2 GLY 32 8.520 16.841 -13.710 224 HA3 GLY 32 HA3 GLY 32 8.751 15.313 -14.547 225 H THR 33 H THR 33 5.700 15.330 -14.946 226 HA THR 33 HA THR 33 5.750 17.089 -17.308 227 HB THR 33 HB THR 33 4.268 15.602 -18.425 228 HG1 THR 33 HG1 THR 33 2.838 14.655 -17.183 229 HG21 THR 33 HG21 THR 33 6.067 13.673 -16.997 230 HG22 THR 33 HG22 THR 33 6.735 14.912 -18.060 231 HG23 THR 33 HG23 THR 33 5.609 13.716 -18.699 232 H PHE 34 H PHE 34 3.811 15.992 -14.578 233 HA PHE 34 HA PHE 34 1.407 17.242 -15.097 234 HB2 PHE 34 HB2 PHE 34 0.945 17.099 -12.766 235 HB3 PHE 34 HB3 PHE 34 1.973 15.723 -13.149 236 HD1 PHE 34 HD2 PHE 34 4.522 16.070 -12.766 237 HD2 PHE 34 HD1 PHE 34 1.482 18.461 -10.987 238 HE1 PHE 34 HE2 PHE 34 6.097 16.757 -11.005 239 HE2 PHE 34 HE1 PHE 34 3.053 19.152 -9.224 240 HZ PHE 34 HZ PHE 34 5.363 18.299 -9.230 241 H SER 35 H SER 35 0.514 19.198 -13.973 242 HA SER 35 HA SER 35 2.490 21.357 -13.734 243 HB2 SER 35 HB2 SER 35 0.256 22.558 -14.906 244 HB3 SER 35 HB3 SER 35 1.803 22.227 -15.687 245 HG SER 35 HG SER 35 -0.155 21.343 -16.718 Start of MODEL 5 1 H1 GLU 1 H GLU 1 1.298 -1.023 0.373 2 HA GLU 1 HA GLU 1 3.221 0.079 -0.690 3 HB2 GLU 1 HB2 GLU 1 1.395 -1.278 -2.682 4 HB3 GLU 1 HB3 GLU 1 3.114 -0.988 -2.910 5 HG2 GLU 1 HG2 GLU 1 3.053 -3.193 -2.244 6 HG3 GLU 1 HG3 GLU 1 3.402 -2.345 -0.738 7 H CYS 2 H CYS 2 3.748 1.083 -2.954 8 HA CYS 2 HA CYS 2 2.448 3.642 -3.003 9 HB2 CYS 2 HB2 CYS 2 4.123 4.285 -4.582 10 HB3 CYS 2 HB3 CYS 2 4.913 3.270 -3.380 11 H ARG 3 H ARG 3 1.329 4.583 -4.740 12 HA ARG 3 HA ARG 3 -0.091 2.635 -6.402 13 HB2 ARG 3 HB2 ARG 3 -0.724 5.551 -5.912 14 HB3 ARG 3 HB3 ARG 3 -1.747 4.387 -6.744 15 HG2 ARG 3 HG2 ARG 3 -1.119 3.341 -4.180 16 HG3 ARG 3 HG3 ARG 3 -1.662 5.009 -3.988 17 HD2 ARG 3 HD2 ARG 3 -3.712 4.558 -5.100 18 HD3 ARG 3 HD3 ARG 3 -3.145 2.978 -5.640 19 HE ARG 3 HE ARG 3 -3.230 3.285 -2.779 20 HH11 ARG 3 HH11 ARG 3 -5.011 2.389 -5.632 21 HH12 ARG 3 HH12 ARG 3 -6.143 1.398 -4.773 22 HH21 ARG 3 HH21 ARG 3 -4.714 1.983 -1.636 23 HH22 ARG 3 HH22 ARG 3 -5.973 1.168 -2.500 24 H TYR 4 H TYR 4 -0.526 3.138 -8.651 25 HA TYR 4 HA TYR 4 1.779 4.446 -9.903 26 HB2 TYR 4 HB2 TYR 4 1.098 3.212 -11.941 27 HB3 TYR 4 HB3 TYR 4 1.416 2.142 -10.580 28 HD1 TYR 4 HD1 TYR 4 -0.400 0.932 -9.495 29 HD2 TYR 4 HD2 TYR 4 -1.144 3.477 -12.823 30 HE1 TYR 4 HE1 TYR 4 -2.622 -0.086 -9.769 31 HE2 TYR 4 HE2 TYR 4 -3.369 2.466 -13.106 32 HH TYR 4 HH TYR 4 -4.442 0.179 -12.489 33 H TRP 5 H TRP 5 0.908 5.084 -12.353 34 HA TRP 5 HA TRP 5 -0.246 7.569 -12.097 35 HB2 TRP 5 HB2 TRP 5 0.930 6.493 -14.128 36 HB3 TRP 5 HB3 TRP 5 -0.670 5.901 -14.566 37 HD1 TRP 5 HD1 TRP 5 0.378 9.418 -13.291 38 HE1 TRP 5 HE1 TRP 5 -0.471 11.156 -14.989 39 HE3 TRP 5 HE3 TRP 5 -1.621 6.247 -16.767 40 HZ2 TRP 5 HZ2 TRP 5 -1.812 11.179 -17.472 41 HZ3 TRP 5 HZ3 TRP 5 -2.669 7.208 -18.775 42 HH2 TRP 5 HH2 TRP 5 -2.762 9.623 -19.118 43 H LEU 6 H LEU 6 -2.265 8.375 -11.977 44 HA LEU 6 HA LEU 6 -4.510 8.447 -11.615 45 HB2 LEU 6 HB2 LEU 6 -4.742 6.093 -13.462 46 HB3 LEU 6 HB3 LEU 6 -5.898 7.396 -13.197 47 HG LEU 6 HG LEU 6 -3.310 7.508 -14.733 48 HD11 LEU 6 HD11 LEU 6 -4.775 8.171 -16.572 49 HD12 LEU 6 HD12 LEU 6 -6.178 8.010 -15.517 50 HD13 LEU 6 HD13 LEU 6 -5.221 6.589 -15.932 51 HD21 LEU 6 HD21 LEU 6 -3.820 9.886 -15.106 52 HD22 LEU 6 HD22 LEU 6 -3.475 9.533 -13.413 53 HD23 LEU 6 HD23 LEU 6 -5.141 9.771 -13.942 54 H GLY 7 H GLY 7 -2.791 6.594 -10.017 55 HA2 GLY 7 HA2 GLY 7 -4.336 4.278 -9.399 56 HA3 GLY 7 HA3 GLY 7 -3.012 4.927 -8.443 57 H GLY 8 H GLY 8 -4.096 7.507 -7.971 58 HA2 GLY 8 HA2 GLY 8 -5.997 8.531 -6.934 59 HA3 GLY 8 HA3 GLY 8 -6.579 6.930 -6.503 60 H CYS 9 H CYS 9 -4.206 9.414 -5.751 61 HA CYS 9 HA CYS 9 -3.258 8.065 -3.393 62 HB2 CYS 9 HB2 CYS 9 -1.866 9.980 -3.051 63 HB3 CYS 9 HB3 CYS 9 -1.876 9.649 -4.780 64 H SER 10 H SER 10 -3.119 9.896 -1.438 65 HA SER 10 HA SER 10 -5.672 11.140 -0.953 66 HB2 SER 10 HB2 SER 10 -5.805 8.576 -0.385 67 HB3 SER 10 HB3 SER 10 -4.920 9.054 1.063 68 HG SER 10 HG SER 10 -7.439 9.126 0.859 69 H ALA 11 H ALA 11 -5.588 11.477 1.744 70 HA ALA 11 HA ALA 11 -3.489 13.392 2.034 71 HB1 ALA 11 HB1 ALA 11 -5.550 13.948 3.034 72 HB2 ALA 11 HB2 ALA 11 -5.639 12.409 3.892 73 HB3 ALA 11 HB3 ALA 11 -4.445 13.617 4.369 74 H GLY 12 H GLY 12 -3.854 10.063 2.838 75 HA2 GLY 12 HA2 GLY 12 -1.322 10.187 4.356 76 HA3 GLY 12 HA3 GLY 12 -2.639 9.122 4.827 77 H GLN 13 H GLN 13 -2.087 9.555 1.458 78 HA GLN 13 HA GLN 13 -0.932 6.851 1.337 79 HB2 GLN 13 HB2 GLN 13 -2.989 8.243 -0.236 80 HB3 GLN 13 HB3 GLN 13 -1.814 7.359 -1.201 81 HG2 GLN 13 HG2 GLN 13 -2.294 5.361 0.251 82 HG3 GLN 13 HG3 GLN 13 -3.638 6.280 0.926 83 HE21 GLN 13 HE21 GLN 13 -2.361 5.891 -2.361 84 HE22 GLN 13 HE22 GLN 13 -3.852 5.375 -3.064 85 H THR 14 H THR 14 0.272 6.545 -0.876 86 HA THR 14 HA THR 14 1.933 8.892 -1.461 87 HB THR 14 HB THR 14 3.313 6.257 -1.265 88 HG1 THR 14 HG1 THR 14 2.823 7.936 0.988 89 HG21 THR 14 HG21 THR 14 4.870 7.759 -1.935 90 HG22 THR 14 HG22 THR 14 4.966 8.110 -0.210 91 HG23 THR 14 HG23 THR 14 3.989 9.130 -1.265 92 H CYS 15 H CYS 15 3.356 8.484 -3.406 93 HA CYS 15 HA CYS 15 1.989 6.722 -5.332 94 HB2 CYS 15 HB2 CYS 15 3.109 9.489 -5.831 95 HB3 CYS 15 HB3 CYS 15 2.472 8.420 -7.076 96 H CYS 16 H CYS 16 3.251 5.569 -6.735 97 HA CYS 16 HA CYS 16 5.815 4.835 -5.986 98 HB2 CYS 16 HB2 CYS 16 4.494 4.654 -8.701 99 HB3 CYS 16 HB3 CYS 16 5.992 3.834 -8.271 100 H LYS 17 H LYS 17 7.728 4.955 -7.635 101 HA LYS 17 HA LYS 17 8.678 7.595 -7.628 102 HB2 LYS 17 HB2 LYS 17 9.949 5.318 -7.766 103 HB3 LYS 17 HB3 LYS 17 9.771 5.525 -9.503 104 HG2 LYS 17 HG2 LYS 17 11.071 7.482 -9.511 105 HG3 LYS 17 HG3 LYS 17 10.974 7.648 -7.756 106 HD2 LYS 17 HD2 LYS 17 12.468 5.889 -7.391 107 HD3 LYS 17 HD3 LYS 17 12.251 5.245 -9.020 108 HE2 LYS 17 HE2 LYS 17 13.634 6.825 -9.971 109 HE3 LYS 17 HE3 LYS 17 13.378 7.986 -8.669 110 HZ1 LYS 17 HZ1 LYS 17 15.411 6.023 -8.944 111 HZ2 LYS 17 HZ2 LYS 17 14.576 5.808 -7.490 112 HZ3 LYS 17 HZ3 LYS 17 15.299 7.298 -7.838 113 H HIS 18 H HIS 18 9.274 8.940 -9.443 114 HA HIS 18 HA HIS 18 8.820 10.101 -11.346 115 HB2 HIS 18 HB2 HIS 18 8.496 7.277 -12.125 116 HB3 HIS 18 HB3 HIS 18 7.689 8.433 -13.180 117 HD1 HIS 18 HD1 HIS 18 9.138 8.828 -15.134 118 HD2 HIS 18 HD2 HIS 18 11.339 8.540 -11.622 119 HE1 HIS 18 HE1 HIS 18 11.526 9.248 -15.800 120 H LEU 19 H LEU 19 6.723 9.527 -9.232 121 HA LEU 19 HA LEU 19 4.485 10.643 -10.746 122 HB2 LEU 19 HB2 LEU 19 4.229 8.319 -8.844 123 HB3 LEU 19 HB3 LEU 19 2.888 9.179 -9.597 124 HG LEU 19 HG LEU 19 4.914 7.926 -11.377 125 HD11 LEU 19 HD11 LEU 19 2.892 6.013 -10.931 126 HD12 LEU 19 HD12 LEU 19 3.544 6.454 -9.354 127 HD13 LEU 19 HD13 LEU 19 4.622 5.865 -10.620 128 HD21 LEU 19 HD21 LEU 19 1.946 8.414 -11.443 129 HD22 LEU 19 HD22 LEU 19 2.788 7.442 -12.650 130 HD23 LEU 19 HD23 LEU 19 3.195 9.147 -12.450 131 H VAL 20 H VAL 20 2.881 11.696 -9.379 132 HA VAL 20 HA VAL 20 3.775 12.311 -6.658 133 HB VAL 20 HB VAL 20 3.213 14.749 -7.100 134 HG11 VAL 20 HG11 VAL 20 5.505 13.878 -6.797 135 HG12 VAL 20 HG12 VAL 20 5.617 13.635 -8.542 136 HG13 VAL 20 HG13 VAL 20 5.438 15.263 -7.886 137 HG21 VAL 20 HG21 VAL 20 2.605 15.445 -9.124 138 HG22 VAL 20 HG22 VAL 20 3.974 14.632 -9.883 139 HG23 VAL 20 HG23 VAL 20 2.475 13.750 -9.594 140 H CYS 21 H CYS 21 2.145 12.800 -5.230 141 HA CYS 21 HA CYS 21 -0.467 11.902 -5.900 142 HB2 CYS 21 HB2 CYS 21 0.323 11.564 -3.660 143 HB3 CYS 21 HB3 CYS 21 0.634 13.284 -3.450 144 H SER 22 H SER 22 -1.413 13.148 -7.465 145 HA SER 22 HA SER 22 -1.431 16.004 -7.378 146 HB2 SER 22 HB2 SER 22 -1.685 14.451 -9.436 147 HB3 SER 22 HB3 SER 22 -3.381 14.350 -8.965 148 HG SER 22 HG SER 22 -1.930 16.716 -9.564 149 H ARG 23 H ARG 23 -2.353 16.803 -5.548 150 HA ARG 23 HA ARG 23 -4.683 15.791 -4.325 151 HB2 ARG 23 HB2 ARG 23 -3.617 18.614 -4.156 152 HB3 ARG 23 HB3 ARG 23 -4.668 17.811 -2.996 153 HG2 ARG 23 HG2 ARG 23 -2.929 16.972 -1.912 154 HG3 ARG 23 HG3 ARG 23 -2.275 16.276 -3.396 155 HD2 ARG 23 HD2 ARG 23 -0.978 18.138 -3.851 156 HD3 ARG 23 HD3 ARG 23 -1.981 19.202 -2.866 157 HE ARG 23 HE ARG 23 0.284 17.717 -2.004 158 HH11 ARG 23 HH11 ARG 23 -2.831 18.878 -0.973 159 HH12 ARG 23 HH12 ARG 23 -2.403 18.927 0.705 160 HH21 ARG 23 HH21 ARG 23 0.860 17.776 0.203 161 HH22 ARG 23 HH22 ARG 23 -0.303 18.300 1.373 162 H ARG 24 H ARG 24 -4.211 17.796 -7.070 163 HA ARG 24 HA ARG 24 -6.869 18.947 -6.993 164 HB2 ARG 24 HB2 ARG 24 -4.552 19.129 -8.899 165 HB3 ARG 24 HB3 ARG 24 -6.141 19.737 -9.347 166 HG2 ARG 24 HG2 ARG 24 -5.920 20.974 -7.017 167 HG3 ARG 24 HG3 ARG 24 -4.201 20.771 -7.359 168 HD2 ARG 24 HD2 ARG 24 -5.957 21.804 -9.525 169 HD3 ARG 24 HD3 ARG 24 -5.552 22.888 -8.194 170 HE ARG 24 HE ARG 24 -3.280 21.558 -9.359 171 HH11 ARG 24 HH11 ARG 24 -5.393 24.320 -9.527 172 HH12 ARG 24 HH12 ARG 24 -4.240 25.316 -10.349 173 HH21 ARG 24 HH21 ARG 24 -1.752 22.861 -10.442 174 HH22 ARG 24 HH22 ARG 24 -2.169 24.485 -10.870 175 H HIS 25 H HIS 25 -5.093 16.787 -9.208 176 HA HIS 25 HA HIS 25 -7.361 16.084 -10.740 177 HB2 HIS 25 HB2 HIS 25 -4.605 14.952 -10.420 178 HB3 HIS 25 HB3 HIS 25 -5.817 14.049 -11.323 179 HD1 HIS 25 HD1 HIS 25 -6.492 14.947 -13.625 180 HD2 HIS 25 HD2 HIS 25 -3.733 17.340 -11.643 181 HE1 HIS 25 HE1 HIS 25 -5.661 16.582 -15.346 182 H GLY 26 H GLY 26 -5.993 14.824 -7.785 183 HA2 GLY 26 HA2 GLY 26 -7.166 13.553 -6.199 184 HA3 GLY 26 HA3 GLY 26 -8.366 13.172 -7.425 185 H TRP 27 H TRP 27 -5.123 12.765 -8.405 186 HA TRP 27 HA TRP 27 -4.837 10.054 -7.497 187 HB2 TRP 27 HB2 TRP 27 -4.866 9.028 -9.741 188 HB3 TRP 27 HB3 TRP 27 -6.436 9.694 -9.304 189 HD1 TRP 27 HD1 TRP 27 -3.317 11.055 -11.200 190 HE1 TRP 27 HE1 TRP 27 -4.157 12.333 -13.270 191 HE3 TRP 27 HE3 TRP 27 -8.351 10.454 -10.536 192 HZ2 TRP 27 HZ2 TRP 27 -6.627 13.000 -14.463 193 HZ3 TRP 27 HZ3 TRP 27 -9.884 11.444 -12.187 194 HH2 TRP 27 HH2 TRP 27 -9.038 12.690 -14.109 195 H CYS 28 H CYS 28 -2.834 9.050 -8.333 196 HA CYS 28 HA CYS 28 -0.673 10.858 -8.213 197 HB2 CYS 28 HB2 CYS 28 -0.671 7.983 -9.157 198 HB3 CYS 28 HB3 CYS 28 0.741 8.908 -8.656 199 H VAL 29 H VAL 29 0.268 12.036 -9.741 200 HA VAL 29 HA VAL 29 -0.271 11.356 -12.559 201 HB VAL 29 HB VAL 29 0.125 13.769 -13.047 202 HG11 VAL 29 HG11 VAL 29 -2.051 14.506 -11.761 203 HG12 VAL 29 HG12 VAL 29 -2.120 13.312 -13.058 204 HG13 VAL 29 HG13 VAL 29 -2.133 12.787 -11.374 205 HG21 VAL 29 HG21 VAL 29 0.174 13.957 -10.040 206 HG22 VAL 29 HG22 VAL 29 1.439 14.439 -11.170 207 HG23 VAL 29 HG23 VAL 29 -0.074 15.341 -11.104 208 H TRP 30 H TRP 30 1.422 12.004 -14.100 209 HA TRP 30 HA TRP 30 3.911 10.926 -13.443 210 HB2 TRP 30 HB2 TRP 30 3.105 12.766 -15.701 211 HB3 TRP 30 HB3 TRP 30 4.682 11.990 -15.592 212 HD1 TRP 30 HD1 TRP 30 1.730 11.533 -17.463 213 HE1 TRP 30 HE1 TRP 30 1.287 9.073 -18.075 214 HE3 TRP 30 HE3 TRP 30 4.857 9.285 -14.100 215 HZ2 TRP 30 HZ2 TRP 30 2.149 6.517 -17.242 216 HZ3 TRP 30 HZ3 TRP 30 4.989 6.828 -14.073 217 HH2 TRP 30 HH2 TRP 30 3.662 5.474 -15.612 218 H ASP 31 H ASP 31 5.638 11.711 -12.430 219 HA ASP 31 HA ASP 31 5.616 14.439 -11.480 220 HB2 ASP 31 HB2 ASP 31 6.329 12.517 -10.051 221 HB3 ASP 31 HB3 ASP 31 7.736 12.317 -11.093 222 H GLY 32 H GLY 32 6.555 16.104 -12.456 223 HA2 GLY 32 HA2 GLY 32 8.637 17.013 -13.387 224 HA3 GLY 32 HA3 GLY 32 8.755 15.547 -14.348 225 H THR 33 H THR 33 5.737 15.755 -14.757 226 HA THR 33 HA THR 33 5.820 17.859 -16.821 227 HB THR 33 HB THR 33 5.874 15.623 -17.838 228 HG1 THR 33 HG1 THR 33 4.794 17.082 -19.086 229 HG21 THR 33 HG21 THR 33 3.171 15.190 -16.564 230 HG22 THR 33 HG22 THR 33 4.670 14.463 -15.985 231 HG23 THR 33 HG23 THR 33 4.059 14.065 -17.591 232 H PHE 34 H PHE 34 3.929 16.198 -14.387 233 HA PHE 34 HA PHE 34 1.409 17.230 -14.823 234 HB2 PHE 34 HB2 PHE 34 0.919 16.730 -12.554 235 HB3 PHE 34 HB3 PHE 34 2.128 15.552 -13.055 236 HD1 PHE 34 HD1 PHE 34 4.614 16.242 -12.565 237 HD2 PHE 34 HD2 PHE 34 1.214 17.844 -10.567 238 HE1 PHE 34 HE1 PHE 34 6.041 16.899 -10.672 239 HE2 PHE 34 HE2 PHE 34 2.636 18.505 -8.671 240 HZ PHE 34 HZ PHE 34 5.053 18.033 -8.722 241 H SER 35 H SER 35 0.295 18.897 -13.402 242 HA SER 35 HA SER 35 -0.012 21.074 -12.814 243 HB2 SER 35 HB2 SER 35 2.050 20.313 -11.306 244 HB3 SER 35 HB3 SER 35 2.892 21.508 -12.293 245 HG SER 35 HG SER 35 1.694 23.081 -11.450 Start of MODEL 6 1 H1 GLU 1 H GLU 1 1.065 -0.978 0.349 2 HA GLU 1 HA GLU 1 3.090 0.193 -0.567 3 HB2 GLU 1 HB2 GLU 1 1.272 -1.479 -2.244 4 HB3 GLU 1 HB3 GLU 1 2.674 -0.740 -3.006 5 HG2 GLU 1 HG2 GLU 1 3.926 -2.401 -2.269 6 HG3 GLU 1 HG3 GLU 1 3.576 -1.913 -0.611 7 H CYS 2 H CYS 2 3.649 1.154 -2.864 8 HA CYS 2 HA CYS 2 2.375 3.724 -2.947 9 HB2 CYS 2 HB2 CYS 2 4.061 4.331 -4.529 10 HB3 CYS 2 HB3 CYS 2 4.837 3.323 -3.312 11 H ARG 3 H ARG 3 1.261 4.654 -4.690 12 HA ARG 3 HA ARG 3 -0.172 2.702 -6.334 13 HB2 ARG 3 HB2 ARG 3 -0.774 5.631 -5.888 14 HB3 ARG 3 HB3 ARG 3 -1.809 4.465 -6.701 15 HG2 ARG 3 HG2 ARG 3 -1.189 3.459 -4.117 16 HG3 ARG 3 HG3 ARG 3 -1.725 5.132 -3.958 17 HD2 ARG 3 HD2 ARG 3 -3.646 3.711 -3.815 18 HD3 ARG 3 HD3 ARG 3 -3.703 4.563 -5.357 19 HE ARG 3 HE ARG 3 -3.560 2.549 -6.421 20 HH11 ARG 3 HH11 ARG 3 -2.502 2.155 -3.128 21 HH12 ARG 3 HH12 ARG 3 -2.363 0.432 -3.241 22 HH21 ARG 3 HH21 ARG 3 -3.380 0.281 -6.583 23 HH22 ARG 3 HH22 ARG 3 -2.861 -0.633 -5.207 24 H TYR 4 H TYR 4 -0.599 3.182 -8.590 25 HA TYR 4 HA TYR 4 1.724 4.449 -9.854 26 HB2 TYR 4 HB2 TYR 4 1.038 3.193 -11.876 27 HB3 TYR 4 HB3 TYR 4 1.340 2.139 -10.499 28 HD1 TYR 4 HD1 TYR 4 -0.496 0.967 -9.402 29 HD2 TYR 4 HD2 TYR 4 -1.194 3.465 -12.775 30 HE1 TYR 4 HE1 TYR 4 -2.728 -0.031 -9.672 31 HE2 TYR 4 HE2 TYR 4 -3.428 2.474 -13.054 32 HH TYR 4 HH TYR 4 -4.618 -0.030 -10.831 33 H TRP 5 H TRP 5 0.863 5.058 -12.317 34 HA TRP 5 HA TRP 5 -0.266 7.559 -12.099 35 HB2 TRP 5 HB2 TRP 5 0.902 6.442 -14.112 36 HB3 TRP 5 HB3 TRP 5 -0.703 5.859 -14.544 37 HD1 TRP 5 HD1 TRP 5 0.377 9.384 -13.317 38 HE1 TRP 5 HE1 TRP 5 -0.453 11.105 -15.042 39 HE3 TRP 5 HE3 TRP 5 -1.646 6.182 -16.751 40 HZ2 TRP 5 HZ2 TRP 5 -1.788 11.105 -17.529 41 HZ3 TRP 5 HZ3 TRP 5 -2.681 7.123 -18.775 42 HH2 TRP 5 HH2 TRP 5 -2.750 9.534 -19.154 43 H LEU 6 H LEU 6 -2.278 8.386 -11.991 44 HA LEU 6 HA LEU 6 -4.522 8.485 -11.635 45 HB2 LEU 6 HB2 LEU 6 -4.772 6.107 -13.448 46 HB3 LEU 6 HB3 LEU 6 -5.919 7.422 -13.202 47 HG LEU 6 HG LEU 6 -3.329 7.495 -14.736 48 HD11 LEU 6 HD11 LEU 6 -6.191 8.007 -15.532 49 HD12 LEU 6 HD12 LEU 6 -5.245 6.572 -15.925 50 HD13 LEU 6 HD13 LEU 6 -4.784 8.140 -16.587 51 HD21 LEU 6 HD21 LEU 6 -5.146 9.782 -13.985 52 HD22 LEU 6 HD22 LEU 6 -3.818 9.870 -15.142 53 HD23 LEU 6 HD23 LEU 6 -3.486 9.539 -13.441 54 H GLY 7 H GLY 7 -2.823 6.637 -10.008 55 HA2 GLY 7 HA2 GLY 7 -4.392 4.346 -9.359 56 HA3 GLY 7 HA3 GLY 7 -3.063 4.996 -8.410 57 H GLY 8 H GLY 8 -4.134 7.597 -7.990 58 HA2 GLY 8 HA2 GLY 8 -6.022 8.653 -6.968 59 HA3 GLY 8 HA3 GLY 8 -6.621 7.064 -6.514 60 H CYS 9 H CYS 9 -4.225 9.537 -5.793 61 HA CYS 9 HA CYS 9 -3.300 8.213 -3.411 62 HB2 CYS 9 HB2 CYS 9 -1.882 10.113 -3.098 63 HB3 CYS 9 HB3 CYS 9 -1.891 9.753 -4.821 64 H SER 10 H SER 10 -3.143 10.062 -1.482 65 HA SER 10 HA SER 10 -5.674 11.361 -1.028 66 HB2 SER 10 HB2 SER 10 -5.750 8.761 -0.397 67 HB3 SER 10 HB3 SER 10 -5.028 9.373 1.091 68 HG SER 10 HG SER 10 -7.349 10.532 -0.030 69 H ALA 11 H ALA 11 -5.600 11.732 1.664 70 HA ALA 11 HA ALA 11 -3.465 13.609 1.943 71 HB1 ALA 11 HB1 ALA 11 -4.988 14.516 3.277 72 HB2 ALA 11 HB2 ALA 11 -5.946 13.035 3.264 73 HB3 ALA 11 HB3 ALA 11 -4.660 13.242 4.452 74 H GLY 12 H GLY 12 -3.901 10.298 2.788 75 HA2 GLY 12 HA2 GLY 12 -1.379 10.394 4.326 76 HA3 GLY 12 HA3 GLY 12 -2.717 9.355 4.792 77 H GLN 13 H GLN 13 -2.130 9.747 1.426 78 HA GLN 13 HA GLN 13 -1.010 7.027 1.339 79 HB2 GLN 13 HB2 GLN 13 -3.041 8.428 -0.261 80 HB3 GLN 13 HB3 GLN 13 -1.872 7.517 -1.208 81 HG2 GLN 13 HG2 GLN 13 -2.387 5.543 0.265 82 HG3 GLN 13 HG3 GLN 13 -3.724 6.488 0.919 83 HE21 GLN 13 HE21 GLN 13 -2.430 6.041 -2.353 84 HE22 GLN 13 HE22 GLN 13 -3.923 5.537 -3.060 85 H THR 14 H THR 14 0.198 6.686 -0.869 86 HA THR 14 HA THR 14 1.891 9.005 -1.469 87 HB THR 14 HB THR 14 3.239 6.356 -1.232 88 HG1 THR 14 HG1 THR 14 2.900 6.275 0.847 89 HG21 THR 14 HG21 THR 14 4.820 7.827 -1.913 90 HG22 THR 14 HG22 THR 14 4.908 8.208 -0.194 91 HG23 THR 14 HG23 THR 14 3.949 9.220 -1.273 92 H CYS 15 H CYS 15 3.318 8.561 -3.402 93 HA CYS 15 HA CYS 15 1.941 6.792 -5.314 94 HB2 CYS 15 HB2 CYS 15 3.095 9.540 -5.835 95 HB3 CYS 15 HB3 CYS 15 2.461 8.464 -7.076 96 H CYS 16 H CYS 16 3.197 5.607 -6.697 97 HA CYS 16 HA CYS 16 5.746 4.847 -5.925 98 HB2 CYS 16 HB2 CYS 16 4.432 4.657 -8.642 99 HB3 CYS 16 HB3 CYS 16 5.926 3.832 -8.209 100 H LYS 17 H LYS 17 7.675 4.928 -7.555 101 HA LYS 17 HA LYS 17 8.656 7.557 -7.567 102 HB2 LYS 17 HB2 LYS 17 9.899 5.261 -7.668 103 HB3 LYS 17 HB3 LYS 17 9.744 5.455 -9.409 104 HG2 LYS 17 HG2 LYS 17 11.528 6.758 -9.427 105 HG3 LYS 17 HG3 LYS 17 10.719 7.896 -8.347 106 HD2 LYS 17 HD2 LYS 17 12.822 7.184 -7.376 107 HD3 LYS 17 HD3 LYS 17 11.476 6.565 -6.416 108 HE2 LYS 17 HE2 LYS 17 11.774 4.385 -7.188 109 HE3 LYS 17 HE3 LYS 17 12.712 4.908 -8.587 110 HZ1 LYS 17 HZ1 LYS 17 13.804 3.898 -6.390 111 HZ2 LYS 17 HZ2 LYS 17 13.842 5.540 -5.986 112 HZ3 LYS 17 HZ3 LYS 17 14.604 4.998 -7.396 113 H HIS 18 H HIS 18 9.285 8.874 -9.391 114 HA HIS 18 HA HIS 18 8.864 10.019 -11.311 115 HB2 HIS 18 HB2 HIS 18 8.516 7.189 -12.062 116 HB3 HIS 18 HB3 HIS 18 7.732 8.342 -13.137 117 HD1 HIS 18 HD1 HIS 18 9.209 8.664 -15.086 118 HD2 HIS 18 HD2 HIS 18 11.363 8.462 -11.540 119 HE1 HIS 18 HE1 HIS 18 11.607 9.058 -15.733 120 H LEU 19 H LEU 19 6.738 9.491 -9.213 121 HA LEU 19 HA LEU 19 4.529 10.615 -10.764 122 HB2 LEU 19 HB2 LEU 19 4.228 8.319 -8.833 123 HB3 LEU 19 HB3 LEU 19 2.904 9.184 -9.611 124 HG LEU 19 HG LEU 19 4.939 7.871 -11.342 125 HD11 LEU 19 HD11 LEU 19 3.216 6.476 -9.426 126 HD12 LEU 19 HD12 LEU 19 4.646 5.914 -10.291 127 HD13 LEU 19 HD13 LEU 19 3.074 5.913 -11.091 128 HD21 LEU 19 HD21 LEU 19 2.840 7.428 -12.661 129 HD22 LEU 19 HD22 LEU 19 3.266 9.127 -12.458 130 HD23 LEU 19 HD23 LEU 19 1.982 8.416 -11.478 131 H VAL 20 H VAL 20 2.925 11.704 -9.427 132 HA VAL 20 HA VAL 20 3.805 12.350 -6.708 133 HB VAL 20 HB VAL 20 3.259 14.785 -7.190 134 HG11 VAL 20 HG11 VAL 20 5.506 15.225 -8.165 135 HG12 VAL 20 HG12 VAL 20 5.526 14.094 -6.810 136 HG13 VAL 20 HG13 VAL 20 5.667 13.495 -8.463 137 HG21 VAL 20 HG21 VAL 20 2.674 15.457 -9.230 138 HG22 VAL 20 HG22 VAL 20 4.033 14.612 -9.970 139 HG23 VAL 20 HG23 VAL 20 2.521 13.756 -9.668 140 H CYS 21 H CYS 21 2.171 12.888 -5.297 141 HA CYS 21 HA CYS 21 -0.444 11.991 -5.969 142 HB2 CYS 21 HB2 CYS 21 0.334 11.675 -3.720 143 HB3 CYS 21 HB3 CYS 21 0.653 13.396 -3.530 144 H SER 22 H SER 22 -1.385 13.220 -7.546 145 HA SER 22 HA SER 22 -1.376 16.077 -7.503 146 HB2 SER 22 HB2 SER 22 -1.644 14.497 -9.538 147 HB3 SER 22 HB3 SER 22 -3.341 14.415 -9.065 148 HG SER 22 HG SER 22 -2.070 16.909 -9.348 149 H ARG 23 H ARG 23 -2.288 16.904 -5.677 150 HA ARG 23 HA ARG 23 -4.629 15.934 -4.444 151 HB2 ARG 23 HB2 ARG 23 -3.372 18.681 -4.321 152 HB3 ARG 23 HB3 ARG 23 -4.636 18.104 -3.243 153 HG2 ARG 23 HG2 ARG 23 -3.184 16.456 -2.308 154 HG3 ARG 23 HG3 ARG 23 -1.940 16.798 -3.512 155 HD2 ARG 23 HD2 ARG 23 -2.927 18.980 -1.726 156 HD3 ARG 23 HD3 ARG 23 -1.757 17.811 -1.116 157 HE ARG 23 HE ARG 23 -1.240 19.964 -2.897 158 HH11 ARG 23 HH11 ARG 23 -0.307 16.694 -2.151 159 HH12 ARG 23 HH12 ARG 23 1.290 16.863 -2.800 160 HH21 ARG 23 HH21 ARG 23 0.861 20.199 -3.754 161 HH22 ARG 23 HH22 ARG 23 1.954 18.858 -3.711 162 H ARG 24 H ARG 24 -4.139 17.884 -7.221 163 HA ARG 24 HA ARG 24 -6.784 19.068 -7.157 164 HB2 ARG 24 HB2 ARG 24 -4.481 19.191 -9.089 165 HB3 ARG 24 HB3 ARG 24 -6.060 19.845 -9.503 166 HG2 ARG 24 HG2 ARG 24 -4.980 20.716 -6.912 167 HG3 ARG 24 HG3 ARG 24 -4.089 21.261 -8.335 168 HD2 ARG 24 HD2 ARG 24 -6.465 21.876 -9.227 169 HD3 ARG 24 HD3 ARG 24 -6.904 21.835 -7.520 170 HE ARG 24 HE ARG 24 -5.413 23.863 -8.854 171 HH11 ARG 24 HH11 ARG 24 -5.787 22.214 -5.811 172 HH12 ARG 24 HH12 ARG 24 -5.186 23.539 -4.871 173 HH21 ARG 24 HH21 ARG 24 -4.620 25.615 -7.627 174 HH22 ARG 24 HH22 ARG 24 -4.523 25.473 -5.904 175 H HIS 25 H HIS 25 -5.029 16.861 -9.342 176 HA HIS 25 HA HIS 25 -7.304 16.162 -10.866 177 HB2 HIS 25 HB2 HIS 25 -4.560 15.003 -10.529 178 HB3 HIS 25 HB3 HIS 25 -5.781 14.105 -11.426 179 HD1 HIS 25 HD1 HIS 25 -6.418 14.968 -13.745 180 HD2 HIS 25 HD2 HIS 25 -3.681 17.389 -11.767 181 HE1 HIS 25 HE1 HIS 25 -5.571 16.581 -15.479 182 H GLY 26 H GLY 26 -5.950 14.929 -7.893 183 HA2 GLY 26 HA2 GLY 26 -7.136 13.690 -6.292 184 HA3 GLY 26 HA3 GLY 26 -8.338 13.303 -7.513 185 H TRP 27 H TRP 27 -5.098 12.854 -8.485 186 HA TRP 27 HA TRP 27 -4.836 10.153 -7.539 187 HB2 TRP 27 HB2 TRP 27 -4.872 9.096 -9.768 188 HB3 TRP 27 HB3 TRP 27 -6.437 9.782 -9.342 189 HD1 TRP 27 HD1 TRP 27 -3.305 11.091 -11.253 190 HE1 TRP 27 HE1 TRP 27 -4.133 12.347 -13.341 191 HE3 TRP 27 HE3 TRP 27 -8.344 10.540 -10.588 192 HZ2 TRP 27 HZ2 TRP 27 -6.595 13.017 -14.547 193 HZ3 TRP 27 HZ3 TRP 27 -9.867 11.518 -12.254 194 HH2 TRP 27 HH2 TRP 27 -9.009 12.731 -14.191 195 H CYS 28 H CYS 28 -2.841 9.120 -8.360 196 HA CYS 28 HA CYS 28 -0.664 10.910 -8.262 197 HB2 CYS 28 HB2 CYS 28 -0.686 8.024 -9.172 198 HB3 CYS 28 HB3 CYS 28 0.732 8.943 -8.677 199 H VAL 29 H VAL 29 0.295 12.055 -9.803 200 HA VAL 29 HA VAL 29 -0.253 11.350 -12.613 201 HB VAL 29 HB VAL 29 0.177 13.753 -13.127 202 HG11 VAL 29 HG11 VAL 29 -2.100 12.812 -11.457 203 HG12 VAL 29 HG12 VAL 29 -1.997 14.528 -11.857 204 HG13 VAL 29 HG13 VAL 29 -2.072 13.324 -13.144 205 HG21 VAL 29 HG21 VAL 29 1.490 14.425 -11.252 206 HG22 VAL 29 HG22 VAL 29 -0.011 15.349 -11.203 207 HG23 VAL 29 HG23 VAL 29 0.214 13.974 -10.122 208 H TRP 30 H TRP 30 1.446 11.925 -14.162 209 HA TRP 30 HA TRP 30 3.922 10.838 -13.485 210 HB2 TRP 30 HB2 TRP 30 3.107 12.623 -15.781 211 HB3 TRP 30 HB3 TRP 30 4.702 11.884 -15.655 212 HD1 TRP 30 HD1 TRP 30 1.754 11.320 -17.508 213 HE1 TRP 30 HE1 TRP 30 1.368 8.838 -18.067 214 HE3 TRP 30 HE3 TRP 30 4.944 9.219 -14.111 215 HZ2 TRP 30 HZ2 TRP 30 2.293 6.321 -17.184 216 HZ3 TRP 30 HZ3 TRP 30 5.135 6.767 -14.032 217 HH2 TRP 30 HH2 TRP 30 3.836 5.350 -15.537 218 H ASP 31 H ASP 31 5.451 11.625 -12.211 219 HA ASP 31 HA ASP 31 5.518 14.335 -11.359 220 HB2 ASP 31 HB2 ASP 31 6.309 12.386 -10.000 221 HB3 ASP 31 HB3 ASP 31 7.696 12.256 -11.077 222 H GLY 32 H GLY 32 6.312 16.024 -12.411 223 HA2 GLY 32 HA2 GLY 32 8.291 17.076 -13.374 224 HA3 GLY 32 HA3 GLY 32 8.575 15.583 -14.256 225 H THR 33 H THR 33 5.519 15.546 -14.682 226 HA THR 33 HA THR 33 5.557 17.371 -16.995 227 HB THR 33 HB THR 33 4.130 15.885 -18.175 228 HG1 THR 33 HG1 THR 33 3.121 14.140 -17.195 229 HG21 THR 33 HG21 THR 33 6.651 15.156 -17.426 230 HG22 THR 33 HG22 THR 33 5.675 14.311 -18.628 231 HG23 THR 33 HG23 THR 33 5.716 13.735 -16.962 232 H PHE 34 H PHE 34 3.602 16.140 -14.331 233 HA PHE 34 HA PHE 34 1.184 17.366 -14.844 234 HB2 PHE 34 HB2 PHE 34 0.687 17.126 -12.526 235 HB3 PHE 34 HB3 PHE 34 1.741 15.781 -12.949 236 HD1 PHE 34 HD1 PHE 34 4.262 16.106 -12.484 237 HD2 PHE 34 HD2 PHE 34 1.193 18.463 -10.713 238 HE1 PHE 34 HE1 PHE 34 5.801 16.742 -10.672 239 HE2 PHE 34 HE2 PHE 34 2.727 19.103 -8.899 240 HZ PHE 34 HZ PHE 34 5.034 18.243 -8.877 241 H SER 35 H SER 35 0.259 19.239 -13.526 242 HA SER 35 HA SER 35 0.156 21.486 -13.183 243 HB2 SER 35 HB2 SER 35 2.384 20.563 -11.748 244 HB3 SER 35 HB3 SER 35 2.935 22.020 -12.574 245 HG SER 35 HG SER 35 0.865 22.942 -11.715 Start of MODEL 7 1 H1 GLU 1 H GLU 1 0.376 0.170 -0.409 2 HA GLU 1 HA GLU 1 3.066 -0.228 -1.009 3 HB2 GLU 1 HB2 GLU 1 1.270 -2.011 -2.425 4 HB3 GLU 1 HB3 GLU 1 2.161 -0.985 -3.540 5 HG2 GLU 1 HG2 GLU 1 4.262 -1.720 -2.568 6 HG3 GLU 1 HG3 GLU 1 3.388 -2.717 -1.406 7 H CYS 2 H CYS 2 3.618 0.845 -3.241 8 HA CYS 2 HA CYS 2 2.400 3.443 -3.181 9 HB2 CYS 2 HB2 CYS 2 4.086 4.093 -4.747 10 HB3 CYS 2 HB3 CYS 2 4.849 3.010 -3.587 11 H ARG 3 H ARG 3 1.289 4.483 -4.861 12 HA ARG 3 HA ARG 3 -0.199 2.650 -6.590 13 HB2 ARG 3 HB2 ARG 3 -0.729 5.567 -5.999 14 HB3 ARG 3 HB3 ARG 3 -1.798 4.463 -6.853 15 HG2 ARG 3 HG2 ARG 3 -1.171 3.330 -4.321 16 HG3 ARG 3 HG3 ARG 3 -1.676 5.004 -4.085 17 HD2 ARG 3 HD2 ARG 3 -3.767 4.636 -5.040 18 HD3 ARG 3 HD3 ARG 3 -3.238 3.169 -5.863 19 HE ARG 3 HE ARG 3 -3.048 2.770 -3.095 20 HH11 ARG 3 HH11 ARG 3 -5.457 3.198 -5.572 21 HH12 ARG 3 HH12 ARG 3 -6.664 2.274 -4.741 22 HH21 ARG 3 HH21 ARG 3 -4.629 1.552 -1.990 23 HH22 ARG 3 HH22 ARG 3 -6.193 1.340 -2.703 24 H TYR 4 H TYR 4 -0.626 3.244 -8.816 25 HA TYR 4 HA TYR 4 1.712 4.526 -10.035 26 HB2 TYR 4 HB2 TYR 4 0.991 3.378 -12.109 27 HB3 TYR 4 HB3 TYR 4 1.284 2.256 -10.785 28 HD1 TYR 4 HD2 TYR 4 -0.564 1.064 -9.731 29 HD2 TYR 4 HD1 TYR 4 -1.244 3.733 -12.974 30 HE1 TYR 4 HE2 TYR 4 -2.814 0.117 -10.032 31 HE2 TYR 4 HE1 TYR 4 -3.496 2.794 -13.283 32 HH TYR 4 HH TYR 4 -5.139 1.551 -12.180 33 H TRP 5 H TRP 5 0.851 5.267 -12.459 34 HA TRP 5 HA TRP 5 -0.237 7.773 -12.114 35 HB2 TRP 5 HB2 TRP 5 0.909 6.733 -14.183 36 HB3 TRP 5 HB3 TRP 5 -0.708 6.206 -14.639 37 HD1 TRP 5 HD1 TRP 5 0.434 9.642 -13.232 38 HE1 TRP 5 HE1 TRP 5 -0.358 11.465 -14.868 39 HE3 TRP 5 HE3 TRP 5 -1.632 6.659 -16.835 40 HZ2 TRP 5 HZ2 TRP 5 -1.684 11.618 -17.355 41 HZ3 TRP 5 HZ3 TRP 5 -2.642 7.723 -18.810 42 HH2 TRP 5 HH2 TRP 5 -2.667 10.151 -19.063 43 H LEU 6 H LEU 6 -2.233 8.618 -11.939 44 HA LEU 6 HA LEU 6 -4.476 8.737 -11.583 45 HB2 LEU 6 HB2 LEU 6 -4.761 6.450 -13.506 46 HB3 LEU 6 HB3 LEU 6 -5.894 7.763 -13.191 47 HG LEU 6 HG LEU 6 -3.308 7.886 -14.729 48 HD11 LEU 6 HD11 LEU 6 -6.166 8.463 -15.495 49 HD12 LEU 6 HD12 LEU 6 -5.239 7.033 -15.950 50 HD13 LEU 6 HD13 LEU 6 -4.758 8.622 -16.546 51 HD21 LEU 6 HD21 LEU 6 -5.030 10.088 -13.635 52 HD22 LEU 6 HD22 LEU 6 -4.026 10.316 -15.067 53 HD23 LEU 6 HD23 LEU 6 -3.280 9.894 -13.525 54 H GLY 7 H GLY 7 -2.800 6.792 -10.049 55 HA2 GLY 7 HA2 GLY 7 -4.409 4.500 -9.499 56 HA3 GLY 7 HA3 GLY 7 -3.058 5.077 -8.533 57 H GLY 8 H GLY 8 -4.089 7.685 -8.001 58 HA2 GLY 8 HA2 GLY 8 -5.934 8.729 -6.902 59 HA3 GLY 8 HA3 GLY 8 -6.569 7.135 -6.525 60 H CYS 9 H CYS 9 -4.110 9.509 -5.698 61 HA CYS 9 HA CYS 9 -3.201 8.046 -3.392 62 HB2 CYS 9 HB2 CYS 9 -1.756 9.918 -2.981 63 HB3 CYS 9 HB3 CYS 9 -1.753 9.610 -4.714 64 H SER 10 H SER 10 -2.988 9.813 -1.381 65 HA SER 10 HA SER 10 -5.498 11.121 -0.841 66 HB2 SER 10 HB2 SER 10 -5.394 8.426 -0.235 67 HB3 SER 10 HB3 SER 10 -4.980 9.191 1.298 68 HG SER 10 HG SER 10 -7.374 8.995 0.108 69 H ALA 11 H ALA 11 -5.388 11.373 1.864 70 HA ALA 11 HA ALA 11 -3.227 13.209 2.199 71 HB1 ALA 11 HB1 ALA 11 -5.102 13.931 3.307 72 HB2 ALA 11 HB2 ALA 11 -5.525 12.314 3.872 73 HB3 ALA 11 HB3 ALA 11 -4.198 13.194 4.631 74 H GLY 12 H GLY 12 -3.705 9.872 2.919 75 HA2 GLY 12 HA2 GLY 12 -1.162 9.870 4.425 76 HA3 GLY 12 HA3 GLY 12 -2.509 8.830 4.864 77 H GLN 13 H GLN 13 -1.947 9.357 1.510 78 HA GLN 13 HA GLN 13 -0.878 6.623 1.297 79 HB2 GLN 13 HB2 GLN 13 -2.891 8.132 -0.225 80 HB3 GLN 13 HB3 GLN 13 -1.744 7.245 -1.221 81 HG2 GLN 13 HG2 GLN 13 -2.286 5.214 0.157 82 HG3 GLN 13 HG3 GLN 13 -3.596 6.149 0.874 83 HE21 GLN 13 HE21 GLN 13 -2.350 5.843 -2.433 84 HE22 GLN 13 HE22 GLN 13 -3.861 5.402 -3.145 85 H THR 14 H THR 14 0.299 6.366 -0.947 86 HA THR 14 HA THR 14 2.039 8.673 -1.447 87 HB THR 14 HB THR 14 3.329 5.986 -1.341 88 HG1 THR 14 HG1 THR 14 3.315 5.904 0.790 89 HG21 THR 14 HG21 THR 14 4.107 8.833 -1.268 90 HG22 THR 14 HG22 THR 14 4.937 7.447 -1.978 91 HG23 THR 14 HG23 THR 14 5.052 7.751 -0.245 92 H CYS 15 H CYS 15 3.437 8.299 -3.412 93 HA CYS 15 HA CYS 15 2.011 6.649 -5.394 94 HB2 CYS 15 HB2 CYS 15 3.217 9.395 -5.785 95 HB3 CYS 15 HB3 CYS 15 2.567 8.393 -7.078 96 H CYS 16 H CYS 16 3.229 5.497 -6.834 97 HA CYS 16 HA CYS 16 5.762 4.642 -6.122 98 HB2 CYS 16 HB2 CYS 16 4.426 4.623 -8.835 99 HB3 CYS 16 HB3 CYS 16 5.907 3.747 -8.461 100 H LYS 17 H LYS 17 7.698 4.766 -7.720 101 HA LYS 17 HA LYS 17 8.732 7.369 -7.618 102 HB2 LYS 17 HB2 LYS 17 9.980 5.127 -7.765 103 HB3 LYS 17 HB3 LYS 17 9.739 5.249 -9.503 104 HG2 LYS 17 HG2 LYS 17 11.503 6.568 -9.680 105 HG3 LYS 17 HG3 LYS 17 10.784 7.722 -8.554 106 HD2 LYS 17 HD2 LYS 17 12.075 5.254 -7.482 107 HD3 LYS 17 HD3 LYS 17 13.093 6.589 -8.025 108 HE2 LYS 17 HE2 LYS 17 11.742 8.093 -6.538 109 HE3 LYS 17 HE3 LYS 17 10.964 6.648 -5.893 110 HZ1 LYS 17 HZ1 LYS 17 12.648 6.462 -4.490 111 HZ2 LYS 17 HZ2 LYS 17 13.453 7.772 -5.193 112 HZ3 LYS 17 HZ3 LYS 17 13.702 6.208 -5.788 113 H HIS 18 H HIS 18 9.356 8.783 -9.351 114 HA HIS 18 HA HIS 18 8.974 10.017 -11.224 115 HB2 HIS 18 HB2 HIS 18 7.839 7.506 -12.458 116 HB3 HIS 18 HB3 HIS 18 8.542 8.889 -13.291 117 HD1 HIS 18 HD1 HIS 18 9.512 5.861 -13.510 118 HD2 HIS 18 HD2 HIS 18 11.292 8.870 -11.265 119 HE1 HIS 18 HE1 HIS 18 11.905 5.149 -13.208 120 H LEU 19 H LEU 19 6.833 9.424 -9.158 121 HA LEU 19 HA LEU 19 4.651 10.666 -10.653 122 HB2 LEU 19 HB2 LEU 19 4.298 8.274 -8.853 123 HB3 LEU 19 HB3 LEU 19 2.994 9.204 -9.589 124 HG LEU 19 HG LEU 19 5.016 7.951 -11.379 125 HD11 LEU 19 HD11 LEU 19 3.105 6.020 -11.238 126 HD12 LEU 19 HD12 LEU 19 3.266 6.484 -9.545 127 HD13 LEU 19 HD13 LEU 19 4.680 5.942 -10.448 128 HD21 LEU 19 HD21 LEU 19 2.930 7.626 -12.740 129 HD22 LEU 19 HD22 LEU 19 3.364 9.305 -12.421 130 HD23 LEU 19 HD23 LEU 19 2.066 8.540 -11.504 131 H VAL 20 H VAL 20 3.104 11.769 -9.298 132 HA VAL 20 HA VAL 20 3.974 12.233 -6.534 133 HB VAL 20 HB VAL 20 3.543 14.681 -6.838 134 HG11 VAL 20 HG11 VAL 20 5.710 15.124 -7.998 135 HG12 VAL 20 HG12 VAL 20 5.807 13.918 -6.713 136 HG13 VAL 20 HG13 VAL 20 5.783 13.409 -8.402 137 HG21 VAL 20 HG21 VAL 20 3.446 13.861 -9.733 138 HG22 VAL 20 HG22 VAL 20 2.223 14.734 -8.810 139 HG23 VAL 20 HG23 VAL 20 3.752 15.517 -9.209 140 H CYS 21 H CYS 21 2.348 12.741 -5.096 141 HA CYS 21 HA CYS 21 -0.280 11.909 -5.805 142 HB2 CYS 21 HB2 CYS 21 0.496 11.476 -3.576 143 HB3 CYS 21 HB3 CYS 21 0.838 13.182 -3.304 144 H SER 22 H SER 22 -1.206 13.224 -7.320 145 HA SER 22 HA SER 22 -1.162 16.079 -7.123 146 HB2 SER 22 HB2 SER 22 -1.420 14.605 -9.245 147 HB3 SER 22 HB3 SER 22 -3.126 14.539 -8.803 148 HG SER 22 HG SER 22 -1.809 17.018 -8.917 149 H ARG 23 H ARG 23 -2.143 16.931 -5.378 150 HA ARG 23 HA ARG 23 -4.508 15.875 -4.207 151 HB2 ARG 23 HB2 ARG 23 -3.447 18.677 -3.855 152 HB3 ARG 23 HB3 ARG 23 -4.431 17.749 -2.731 153 HG2 ARG 23 HG2 ARG 23 -2.552 17.168 -1.712 154 HG3 ARG 23 HG3 ARG 23 -2.167 16.190 -3.130 155 HD2 ARG 23 HD2 ARG 23 -0.712 17.739 -3.975 156 HD3 ARG 23 HD3 ARG 23 -1.550 19.095 -3.221 157 HE ARG 23 HE ARG 23 0.597 17.559 -2.108 158 HH11 ARG 23 HH11 ARG 23 -2.193 19.500 -1.356 159 HH12 ARG 23 HH12 ARG 23 -1.616 19.955 0.213 160 HH21 ARG 23 HH21 ARG 23 1.368 18.150 -0.044 161 HH22 ARG 23 HH22 ARG 23 0.410 19.187 0.958 162 H ARG 24 H ARG 24 -3.902 18.030 -6.816 163 HA ARG 24 HA ARG 24 -6.513 19.268 -6.744 164 HB2 ARG 24 HB2 ARG 24 -4.120 19.450 -8.533 165 HB3 ARG 24 HB3 ARG 24 -5.673 20.041 -9.109 166 HG2 ARG 24 HG2 ARG 24 -4.579 20.935 -6.473 167 HG3 ARG 24 HG3 ARG 24 -4.056 21.689 -7.981 168 HD2 ARG 24 HD2 ARG 24 -6.972 21.366 -7.531 169 HD3 ARG 24 HD3 ARG 24 -6.129 22.591 -6.585 170 HE ARG 24 HE ARG 24 -6.810 22.744 -9.336 171 HH11 ARG 24 HH11 ARG 24 -4.349 23.639 -7.042 172 HH12 ARG 24 HH12 ARG 24 -3.814 25.011 -7.954 173 HH21 ARG 24 HH21 ARG 24 -6.114 24.547 -10.546 174 HH22 ARG 24 HH22 ARG 24 -4.819 25.527 -9.947 175 H HIS 25 H HIS 25 -4.820 16.907 -8.786 176 HA HIS 25 HA HIS 25 -7.115 16.419 -10.434 177 HB2 HIS 25 HB2 HIS 25 -4.378 15.234 -10.189 178 HB3 HIS 25 HB3 HIS 25 -5.617 14.352 -11.078 179 HD1 HIS 25 HD1 HIS 25 -6.433 15.381 -13.310 180 HD2 HIS 25 HD2 HIS 25 -3.412 17.536 -11.442 181 HE1 HIS 25 HE1 HIS 25 -5.600 17.007 -15.038 182 H GLY 26 H GLY 26 -5.756 15.027 -7.535 183 HA2 GLY 26 HA2 GLY 26 -6.948 13.733 -5.982 184 HA3 GLY 26 HA3 GLY 26 -8.166 13.421 -7.210 185 H TRP 27 H TRP 27 -4.938 12.970 -8.224 186 HA TRP 27 HA TRP 27 -4.712 10.224 -7.409 187 HB2 TRP 27 HB2 TRP 27 -4.777 9.274 -9.685 188 HB3 TRP 27 HB3 TRP 27 -6.329 9.964 -9.218 189 HD1 TRP 27 HD1 TRP 27 -3.187 11.317 -11.080 190 HE1 TRP 27 HE1 TRP 27 -4.005 12.681 -13.103 191 HE3 TRP 27 HE3 TRP 27 -8.230 10.803 -10.419 192 HZ2 TRP 27 HZ2 TRP 27 -6.464 13.440 -14.264 193 HZ3 TRP 27 HZ3 TRP 27 -9.747 11.879 -12.030 194 HH2 TRP 27 HH2 TRP 27 -8.880 13.171 -13.912 195 H CYS 28 H CYS 28 -2.744 9.194 -8.324 196 HA CYS 28 HA CYS 28 -0.537 10.949 -8.147 197 HB2 CYS 28 HB2 CYS 28 -0.608 8.106 -9.181 198 HB3 CYS 28 HB3 CYS 28 0.827 8.981 -8.657 199 H VAL 29 H VAL 29 0.449 12.132 -9.645 200 HA VAL 29 HA VAL 29 -0.145 11.570 -12.478 201 HB VAL 29 HB VAL 29 0.344 13.982 -12.887 202 HG11 VAL 29 HG11 VAL 29 -1.899 13.813 -12.917 203 HG12 VAL 29 HG12 VAL 29 -1.955 12.913 -11.401 204 HG13 VAL 29 HG13 VAL 29 -1.800 14.670 -11.379 205 HG21 VAL 29 HG21 VAL 29 0.413 14.065 -9.876 206 HG22 VAL 29 HG22 VAL 29 1.693 14.531 -10.995 207 HG23 VAL 29 HG23 VAL 29 0.219 15.493 -10.893 208 H TRP 30 H TRP 30 1.554 12.171 -14.018 209 HA TRP 30 HA TRP 30 4.014 11.000 -13.397 210 HB2 TRP 30 HB2 TRP 30 3.186 12.840 -15.641 211 HB3 TRP 30 HB3 TRP 30 4.787 12.111 -15.549 212 HD1 TRP 30 HD1 TRP 30 1.801 11.564 -17.361 213 HE1 TRP 30 HE1 TRP 30 1.435 9.092 -17.979 214 HE3 TRP 30 HE3 TRP 30 5.097 9.417 -14.097 215 HZ2 TRP 30 HZ2 TRP 30 2.415 6.566 -17.186 216 HZ3 TRP 30 HZ3 TRP 30 5.323 6.967 -14.090 217 HH2 TRP 30 HH2 TRP 30 4.008 5.573 -15.603 218 H ASP 31 H ASP 31 5.613 11.722 -12.172 219 HA ASP 31 HA ASP 31 5.734 14.417 -11.249 220 HB2 ASP 31 HB2 ASP 31 6.488 12.376 -9.963 221 HB3 ASP 31 HB3 ASP 31 7.899 12.324 -11.015 222 H GLY 32 H GLY 32 6.294 16.014 -12.589 223 HA2 GLY 32 HA2 GLY 32 8.487 16.982 -13.432 224 HA3 GLY 32 HA3 GLY 32 8.543 15.546 -14.443 225 H THR 33 H THR 33 5.894 15.379 -15.248 226 HA THR 33 HA THR 33 5.517 17.897 -16.733 227 HB THR 33 HB THR 33 6.425 16.164 -18.220 228 HG1 THR 33 HG1 THR 33 5.118 16.854 -19.748 229 HG21 THR 33 HG21 THR 33 5.388 14.255 -16.901 230 HG22 THR 33 HG22 THR 33 5.320 14.117 -18.658 231 HG23 THR 33 HG23 THR 33 3.888 14.611 -17.756 232 H PHE 34 H PHE 34 4.264 16.599 -14.262 233 HA PHE 34 HA PHE 34 1.662 15.764 -14.790 234 HB2 PHE 34 HB2 PHE 34 1.178 16.658 -12.452 235 HB3 PHE 34 HB3 PHE 34 2.475 15.476 -12.584 236 HD1 PHE 34 HD2 PHE 34 2.011 19.176 -12.721 237 HD2 PHE 34 HD1 PHE 34 4.412 15.904 -11.441 238 HE1 PHE 34 HE2 PHE 34 3.545 20.743 -11.607 239 HE2 PHE 34 HE1 PHE 34 5.950 17.466 -10.323 240 HZ PHE 34 HZ PHE 34 5.519 19.889 -10.406 241 H SER 35 H SER 35 -0.359 16.972 -14.309 242 HA SER 35 HA SER 35 -0.189 19.726 -15.346 243 HB2 SER 35 HB2 SER 35 -2.804 18.791 -15.773 244 HB3 SER 35 HB3 SER 35 -1.552 19.042 -16.990 245 HG SER 35 HG SER 35 -2.306 16.674 -15.672 Start of MODEL 8 1 H1 GLU 1 H GLU 1 0.694 0.512 0.144 2 HA GLU 1 HA GLU 1 3.383 0.003 -0.797 3 HB2 GLU 1 HB2 GLU 1 2.659 -1.125 -2.860 4 HB3 GLU 1 HB3 GLU 1 2.277 -2.071 -1.428 5 HG2 GLU 1 HG2 GLU 1 -0.004 -0.608 -1.783 6 HG3 GLU 1 HG3 GLU 1 0.514 -0.916 -3.440 7 H CYS 2 H CYS 2 3.808 1.068 -2.887 8 HA CYS 2 HA CYS 2 2.571 3.657 -2.946 9 HB2 CYS 2 HB2 CYS 2 4.229 4.237 -4.567 10 HB3 CYS 2 HB3 CYS 2 5.018 3.218 -3.367 11 H ARG 3 H ARG 3 1.429 4.600 -4.663 12 HA ARG 3 HA ARG 3 -0.066 2.666 -6.273 13 HB2 ARG 3 HB2 ARG 3 -0.623 5.601 -5.807 14 HB3 ARG 3 HB3 ARG 3 -1.689 4.451 -6.603 15 HG2 ARG 3 HG2 ARG 3 -1.032 3.421 -4.040 16 HG3 ARG 3 HG3 ARG 3 -1.531 5.103 -3.857 17 HD2 ARG 3 HD2 ARG 3 -3.490 3.766 -3.682 18 HD3 ARG 3 HD3 ARG 3 -3.540 4.561 -5.255 19 HE ARG 3 HE ARG 3 -2.345 1.983 -5.421 20 HH11 ARG 3 HH11 ARG 3 -5.405 3.626 -5.184 21 HH12 ARG 3 HH12 ARG 3 -6.294 2.358 -5.960 22 HH21 ARG 3 HH21 ARG 3 -3.504 0.306 -6.444 23 HH22 ARG 3 HH22 ARG 3 -5.212 0.469 -6.675 24 H TYR 4 H TYR 4 -0.543 3.159 -8.518 25 HA TYR 4 HA TYR 4 1.764 4.402 -9.835 26 HB2 TYR 4 HB2 TYR 4 1.022 3.151 -11.841 27 HB3 TYR 4 HB3 TYR 4 1.348 2.096 -10.471 28 HD1 TYR 4 HD1 TYR 4 -0.470 0.939 -9.329 29 HD2 TYR 4 HD2 TYR 4 -1.229 3.438 -12.688 30 HE1 TYR 4 HE1 TYR 4 -2.715 -0.044 -9.546 31 HE2 TYR 4 HE2 TYR 4 -3.476 2.463 -12.913 32 HH TYR 4 HH TYR 4 -5.148 1.283 -11.221 33 H TRP 5 H TRP 5 0.855 5.020 -12.276 34 HA TRP 5 HA TRP 5 -0.251 7.529 -12.032 35 HB2 TRP 5 HB2 TRP 5 0.868 6.408 -14.070 36 HB3 TRP 5 HB3 TRP 5 -0.749 5.833 -14.469 37 HD1 TRP 5 HD1 TRP 5 0.381 9.352 -13.268 38 HE1 TRP 5 HE1 TRP 5 -0.478 11.078 -14.972 39 HE3 TRP 5 HE3 TRP 5 -1.746 6.163 -16.650 40 HZ2 TRP 5 HZ2 TRP 5 -1.873 11.087 -17.426 41 HZ3 TRP 5 HZ3 TRP 5 -2.823 7.112 -18.649 42 HH2 TRP 5 HH2 TRP 5 -2.885 9.523 -19.027 43 H LEU 6 H LEU 6 -2.254 8.371 -11.887 44 HA LEU 6 HA LEU 6 -4.490 8.487 -11.487 45 HB2 LEU 6 HB2 LEU 6 -4.792 6.104 -13.287 46 HB3 LEU 6 HB3 LEU 6 -5.927 7.426 -13.021 47 HG LEU 6 HG LEU 6 -3.371 7.477 -14.613 48 HD11 LEU 6 HD11 LEU 6 -4.862 8.131 -16.430 49 HD12 LEU 6 HD12 LEU 6 -6.246 8.019 -15.343 50 HD13 LEU 6 HD13 LEU 6 -5.327 6.570 -15.752 51 HD21 LEU 6 HD21 LEU 6 -3.297 9.543 -13.534 52 HD22 LEU 6 HD22 LEU 6 -5.052 9.726 -13.559 53 HD23 LEU 6 HD23 LEU 6 -4.126 9.892 -15.052 54 H GLY 7 H GLY 7 -2.769 6.631 -9.892 55 HA2 GLY 7 HA2 GLY 7 -4.349 4.358 -9.199 56 HA3 GLY 7 HA3 GLY 7 -2.986 4.992 -8.288 57 H GLY 8 H GLY 8 -4.047 7.622 -7.886 58 HA2 GLY 8 HA2 GLY 8 -5.869 8.705 -6.797 59 HA3 GLY 8 HA3 GLY 8 -6.492 7.127 -6.337 60 H CYS 9 H CYS 9 -4.031 9.547 -5.658 61 HA CYS 9 HA CYS 9 -3.087 8.196 -3.297 62 HB2 CYS 9 HB2 CYS 9 -1.633 10.082 -3.001 63 HB3 CYS 9 HB3 CYS 9 -1.656 9.689 -4.717 64 H SER 10 H SER 10 -2.843 10.062 -1.381 65 HA SER 10 HA SER 10 -5.344 11.400 -0.872 66 HB2 SER 10 HB2 SER 10 -5.123 8.718 -0.067 67 HB3 SER 10 HB3 SER 10 -4.882 9.669 1.399 68 HG SER 10 HG SER 10 -7.102 9.637 -0.344 69 H ALA 11 H ALA 11 -5.195 11.789 1.815 70 HA ALA 11 HA ALA 11 -3.026 13.636 2.024 71 HB1 ALA 11 HB1 ALA 11 -4.026 13.562 4.530 72 HB2 ALA 11 HB2 ALA 11 -4.727 14.507 3.216 73 HB3 ALA 11 HB3 ALA 11 -5.396 12.926 3.619 74 H GLY 12 H GLY 12 -3.492 10.340 2.909 75 HA2 GLY 12 HA2 GLY 12 -0.933 10.411 4.388 76 HA3 GLY 12 HA3 GLY 12 -2.274 9.391 4.888 77 H GLN 13 H GLN 13 -1.757 9.758 1.508 78 HA GLN 13 HA GLN 13 -0.673 7.024 1.411 79 HB2 GLN 13 HB2 GLN 13 -2.719 8.443 -0.152 80 HB3 GLN 13 HB3 GLN 13 -1.583 7.513 -1.120 81 HG2 GLN 13 HG2 GLN 13 -2.090 5.552 0.372 82 HG3 GLN 13 HG3 GLN 13 -3.399 6.516 1.053 83 HE21 GLN 13 HE21 GLN 13 -2.188 6.042 -2.247 84 HE22 GLN 13 HE22 GLN 13 -3.703 5.554 -2.917 85 H THR 14 H THR 14 0.480 6.659 -0.825 86 HA THR 14 HA THR 14 2.191 8.953 -1.470 87 HB THR 14 HB THR 14 3.506 6.285 -1.253 88 HG1 THR 14 HG1 THR 14 2.720 6.316 0.780 89 HG21 THR 14 HG21 THR 14 5.227 8.113 -0.263 90 HG22 THR 14 HG22 THR 14 4.258 9.138 -1.322 91 HG23 THR 14 HG23 THR 14 5.091 7.730 -1.978 92 H CYS 15 H CYS 15 3.567 8.485 -3.433 93 HA CYS 15 HA CYS 15 2.124 6.729 -5.308 94 HB2 CYS 15 HB2 CYS 15 3.291 9.467 -5.848 95 HB3 CYS 15 HB3 CYS 15 2.646 8.394 -7.086 96 H CYS 16 H CYS 16 3.332 5.522 -6.714 97 HA CYS 16 HA CYS 16 5.886 4.728 -5.998 98 HB2 CYS 16 HB2 CYS 16 4.513 4.555 -8.687 99 HB3 CYS 16 HB3 CYS 16 6.002 3.708 -8.282 100 H LYS 17 H LYS 17 7.783 4.782 -7.662 101 HA LYS 17 HA LYS 17 8.799 7.396 -7.701 102 HB2 LYS 17 HB2 LYS 17 10.042 5.130 -7.789 103 HB3 LYS 17 HB3 LYS 17 9.795 5.226 -9.528 104 HG2 LYS 17 HG2 LYS 17 11.537 6.570 -9.741 105 HG3 LYS 17 HG3 LYS 17 10.844 7.711 -8.586 106 HD2 LYS 17 HD2 LYS 17 11.713 6.056 -6.795 107 HD3 LYS 17 HD3 LYS 17 12.730 5.434 -8.097 108 HE2 LYS 17 HE2 LYS 17 12.662 8.246 -7.015 109 HE3 LYS 17 HE3 LYS 17 13.973 7.078 -6.865 110 HZ1 LYS 17 HZ1 LYS 17 14.037 7.123 -9.381 111 HZ2 LYS 17 HZ2 LYS 17 14.607 8.503 -8.586 112 HZ3 LYS 17 HZ3 LYS 17 13.069 8.508 -9.291 113 H HIS 18 H HIS 18 9.406 8.704 -9.538 114 HA HIS 18 HA HIS 18 8.961 9.852 -11.451 115 HB2 HIS 18 HB2 HIS 18 8.565 7.026 -12.191 116 HB3 HIS 18 HB3 HIS 18 7.772 8.187 -13.252 117 HD1 HIS 18 HD1 HIS 18 9.210 8.518 -15.227 118 HD2 HIS 18 HD2 HIS 18 11.439 8.236 -11.732 119 HE1 HIS 18 HE1 HIS 18 11.600 8.876 -15.923 120 H LEU 19 H LEU 19 6.871 9.351 -9.310 121 HA LEU 19 HA LEU 19 4.646 10.502 -10.818 122 HB2 LEU 19 HB2 LEU 19 4.352 8.210 -8.882 123 HB3 LEU 19 HB3 LEU 19 3.025 9.091 -9.636 124 HG LEU 19 HG LEU 19 5.015 7.749 -11.400 125 HD11 LEU 19 HD11 LEU 19 3.020 5.867 -11.045 126 HD12 LEU 19 HD12 LEU 19 3.423 6.377 -9.405 127 HD13 LEU 19 HD13 LEU 19 4.684 5.756 -10.470 128 HD21 LEU 19 HD21 LEU 19 3.354 9.021 -12.502 129 HD22 LEU 19 HD22 LEU 19 2.069 8.358 -11.491 130 HD23 LEU 19 HD23 LEU 19 2.877 7.332 -12.678 131 H VAL 20 H VAL 20 3.110 11.650 -9.475 132 HA VAL 20 HA VAL 20 4.038 12.269 -6.764 133 HB VAL 20 HB VAL 20 3.599 14.699 -7.189 134 HG11 VAL 20 HG11 VAL 20 5.745 14.816 -8.798 135 HG12 VAL 20 HG12 VAL 20 5.841 14.420 -7.081 136 HG13 VAL 20 HG13 VAL 20 5.848 13.132 -8.286 137 HG21 VAL 20 HG21 VAL 20 3.777 15.409 -9.601 138 HG22 VAL 20 HG22 VAL 20 3.466 13.728 -10.037 139 HG23 VAL 20 HG23 VAL 20 2.254 14.646 -9.144 140 H CYS 21 H CYS 21 2.438 12.783 -5.320 141 HA CYS 21 HA CYS 21 -0.201 11.945 -5.947 142 HB2 CYS 21 HB2 CYS 21 0.615 11.613 -3.714 143 HB3 CYS 21 HB3 CYS 21 0.959 13.329 -3.526 144 H SER 22 H SER 22 -1.163 13.188 -7.498 145 HA SER 22 HA SER 22 -1.107 16.045 -7.455 146 HB2 SER 22 HB2 SER 22 -1.445 14.471 -9.484 147 HB3 SER 22 HB3 SER 22 -3.132 14.414 -8.973 148 HG SER 22 HG SER 22 -1.651 16.753 -9.609 149 H ARG 23 H ARG 23 -1.968 16.895 -5.619 150 HA ARG 23 HA ARG 23 -4.292 15.959 -4.327 151 HB2 ARG 23 HB2 ARG 23 -2.885 18.628 -4.240 152 HB3 ARG 23 HB3 ARG 23 -4.256 18.229 -3.214 153 HG2 ARG 23 HG2 ARG 23 -2.705 16.131 -2.663 154 HG3 ARG 23 HG3 ARG 23 -1.455 17.302 -3.087 155 HD2 ARG 23 HD2 ARG 23 -1.713 17.615 -0.800 156 HD3 ARG 23 HD3 ARG 23 -2.717 18.888 -1.493 157 HE ARG 23 HE ARG 23 -4.152 16.460 -0.942 158 HH11 ARG 23 HH11 ARG 23 -3.009 19.471 0.380 159 HH12 ARG 23 HH12 ARG 23 -4.211 19.531 1.627 160 HH21 ARG 23 HH21 ARG 23 -5.739 16.527 0.695 161 HH22 ARG 23 HH22 ARG 23 -5.762 17.855 1.805 162 H ARG 24 H ARG 24 -3.836 17.908 -7.114 163 HA ARG 24 HA ARG 24 -6.463 19.126 -6.995 164 HB2 ARG 24 HB2 ARG 24 -4.173 19.231 -8.934 165 HB3 ARG 24 HB3 ARG 24 -5.758 19.838 -9.393 166 HG2 ARG 24 HG2 ARG 24 -4.358 20.769 -6.909 167 HG3 ARG 24 HG3 ARG 24 -4.084 21.516 -8.484 168 HD2 ARG 24 HD2 ARG 24 -6.776 21.500 -8.429 169 HD3 ARG 24 HD3 ARG 24 -6.434 21.634 -6.704 170 HE ARG 24 HE ARG 24 -6.106 23.664 -8.677 171 HH11 ARG 24 HH11 ARG 24 -4.814 22.434 -5.687 172 HH12 ARG 24 HH12 ARG 24 -4.166 23.961 -5.187 173 HH21 ARG 24 HH21 ARG 24 -5.258 25.680 -8.029 174 HH22 ARG 24 HH22 ARG 24 -4.420 25.807 -6.520 175 H HIS 25 H HIS 25 -4.793 16.884 -9.210 176 HA HIS 25 HA HIS 25 -7.113 16.215 -10.679 177 HB2 HIS 25 HB2 HIS 25 -4.378 15.024 -10.405 178 HB3 HIS 25 HB3 HIS 25 -5.632 14.129 -11.258 179 HD1 HIS 25 HD1 HIS 25 -6.367 15.015 -13.553 180 HD2 HIS 25 HD2 HIS 25 -3.466 17.347 -11.708 181 HE1 HIS 25 HE1 HIS 25 -5.542 16.590 -15.330 182 H GLY 26 H GLY 26 -5.708 14.970 -7.735 183 HA2 GLY 26 HA2 GLY 26 -6.875 13.755 -6.101 184 HA3 GLY 26 HA3 GLY 26 -8.112 13.383 -7.292 185 H TRP 27 H TRP 27 -4.903 12.880 -8.339 186 HA TRP 27 HA TRP 27 -4.662 10.178 -7.391 187 HB2 TRP 27 HB2 TRP 27 -4.767 9.116 -9.616 188 HB3 TRP 27 HB3 TRP 27 -6.311 9.828 -9.155 189 HD1 TRP 27 HD1 TRP 27 -3.203 11.081 -11.142 190 HE1 TRP 27 HE1 TRP 27 -4.059 12.345 -13.215 191 HE3 TRP 27 HE3 TRP 27 -8.233 10.613 -10.359 192 HZ2 TRP 27 HZ2 TRP 27 -6.538 13.051 -14.365 193 HZ3 TRP 27 HZ3 TRP 27 -9.779 11.612 -11.992 194 HH2 TRP 27 HH2 TRP 27 -8.947 12.806 -13.952 195 H CYS 28 H CYS 28 -2.708 9.105 -8.277 196 HA CYS 28 HA CYS 28 -0.498 10.861 -8.227 197 HB2 CYS 28 HB2 CYS 28 -0.599 7.973 -9.124 198 HB3 CYS 28 HB3 CYS 28 0.853 8.866 -8.687 199 H VAL 29 H VAL 29 0.446 11.986 -9.793 200 HA VAL 29 HA VAL 29 -0.186 11.290 -12.588 201 HB VAL 29 HB VAL 29 0.278 13.685 -13.113 202 HG11 VAL 29 HG11 VAL 29 -1.970 13.402 -13.098 203 HG12 VAL 29 HG12 VAL 29 -1.985 12.720 -11.470 204 HG13 VAL 29 HG13 VAL 29 -1.851 14.465 -11.696 205 HG21 VAL 29 HG21 VAL 29 1.647 14.331 -11.268 206 HG22 VAL 29 HG22 VAL 29 0.165 15.284 -11.187 207 HG23 VAL 29 HG23 VAL 29 0.386 13.906 -10.110 208 H TRP 30 H TRP 30 1.484 11.836 -14.179 209 HA TRP 30 HA TRP 30 3.962 10.710 -13.547 210 HB2 TRP 30 HB2 TRP 30 3.097 12.454 -15.855 211 HB3 TRP 30 HB3 TRP 30 4.696 11.721 -15.756 212 HD1 TRP 30 HD1 TRP 30 1.683 11.115 -17.502 213 HE1 TRP 30 HE1 TRP 30 1.295 8.621 -18.007 214 HE3 TRP 30 HE3 TRP 30 5.010 9.088 -14.191 215 HZ2 TRP 30 HZ2 TRP 30 2.270 6.125 -17.120 216 HZ3 TRP 30 HZ3 TRP 30 5.221 6.639 -14.081 217 HH2 TRP 30 HH2 TRP 30 3.878 5.190 -15.516 218 H ASP 31 H ASP 31 5.539 11.500 -12.335 219 HA ASP 31 HA ASP 31 5.666 14.249 -11.581 220 HB2 ASP 31 HB2 ASP 31 6.369 12.415 -10.079 221 HB3 ASP 31 HB3 ASP 31 7.708 12.056 -11.166 222 H GLY 32 H GLY 32 6.573 15.864 -12.662 223 HA2 GLY 32 HA2 GLY 32 8.568 16.801 -13.674 224 HA3 GLY 32 HA3 GLY 32 8.828 15.253 -14.464 225 H THR 33 H THR 33 5.785 15.261 -14.952 226 HA THR 33 HA THR 33 5.896 16.986 -17.339 227 HB THR 33 HB THR 33 4.510 15.451 -18.511 228 HG1 THR 33 HG1 THR 33 4.041 14.400 -15.941 229 HG21 THR 33 HG21 THR 33 6.970 14.833 -18.071 230 HG22 THR 33 HG22 THR 33 5.901 13.575 -18.691 231 HG23 THR 33 HG23 THR 33 6.323 13.609 -16.979 232 H PHE 34 H PHE 34 3.908 15.873 -14.660 233 HA PHE 34 HA PHE 34 1.475 17.015 -15.280 234 HB2 PHE 34 HB2 PHE 34 0.947 16.906 -12.963 235 HB3 PHE 34 HB3 PHE 34 2.045 15.567 -13.278 236 HD1 PHE 34 HD2 PHE 34 4.568 16.050 -12.836 237 HD2 PHE 34 HD1 PHE 34 1.363 18.318 -11.193 238 HE1 PHE 34 HE2 PHE 34 6.055 16.848 -11.046 239 HE2 PHE 34 HE1 PHE 34 2.845 19.120 -9.400 240 HZ PHE 34 HZ PHE 34 5.194 18.384 -9.324 241 H SER 35 H SER 35 0.474 18.962 -14.229 242 HA SER 35 HA SER 35 2.205 21.260 -14.711 243 HB2 SER 35 HB2 SER 35 -0.469 20.710 -15.311 244 HB3 SER 35 HB3 SER 35 -0.539 21.913 -14.023 245 HG SER 35 HG SER 35 1.068 23.084 -15.359 Start of MODEL 9 1 H1 GLU 1 H GLU 1 1.642 0.287 0.868 2 HA GLU 1 HA GLU 1 3.303 0.121 -0.723 3 HB2 GLU 1 HB2 GLU 1 1.153 -1.451 -2.051 4 HB3 GLU 1 HB3 GLU 1 2.431 -0.803 -3.068 5 HG2 GLU 1 HG2 GLU 1 2.825 -3.123 -2.294 6 HG3 GLU 1 HG3 GLU 1 4.103 -1.991 -1.856 7 H CYS 2 H CYS 2 3.765 1.112 -2.939 8 HA CYS 2 HA CYS 2 2.547 3.710 -2.997 9 HB2 CYS 2 HB2 CYS 2 4.199 4.272 -4.630 10 HB3 CYS 2 HB3 CYS 2 4.988 3.252 -3.432 11 H ARG 3 H ARG 3 1.419 4.661 -4.727 12 HA ARG 3 HA ARG 3 -0.108 2.733 -6.316 13 HB2 ARG 3 HB2 ARG 3 -0.636 5.674 -5.856 14 HB3 ARG 3 HB3 ARG 3 -1.715 4.533 -6.645 15 HG2 ARG 3 HG2 ARG 3 -1.060 3.500 -4.084 16 HG3 ARG 3 HG3 ARG 3 -1.538 5.189 -3.900 17 HD2 ARG 3 HD2 ARG 3 -3.509 3.865 -3.714 18 HD3 ARG 3 HD3 ARG 3 -3.562 4.673 -5.280 19 HE ARG 3 HE ARG 3 -2.436 2.286 -5.861 20 HH11 ARG 3 HH11 ARG 3 -5.328 3.210 -4.156 21 HH12 ARG 3 HH12 ARG 3 -6.200 1.780 -4.595 22 HH21 ARG 3 HH21 ARG 3 -3.575 0.399 -6.446 23 HH22 ARG 3 HH22 ARG 3 -5.202 0.180 -5.897 24 H TYR 4 H TYR 4 -0.586 3.214 -8.561 25 HA TYR 4 HA TYR 4 1.726 4.428 -9.893 26 HB2 TYR 4 HB2 TYR 4 0.950 3.186 -11.893 27 HB3 TYR 4 HB3 TYR 4 1.272 2.128 -10.524 28 HD1 TYR 4 HD2 TYR 4 -0.550 0.993 -9.372 29 HD2 TYR 4 HD1 TYR 4 -1.307 3.512 -12.716 30 HE1 TYR 4 HE2 TYR 4 -2.809 0.041 -9.571 31 HE2 TYR 4 HE1 TYR 4 -3.568 2.568 -12.924 32 HH TYR 4 HH TYR 4 -4.892 0.799 -12.280 33 H TRP 5 H TRP 5 0.811 5.057 -12.330 34 HA TRP 5 HA TRP 5 -0.255 7.582 -12.084 35 HB2 TRP 5 HB2 TRP 5 0.832 6.438 -14.128 36 HB3 TRP 5 HB3 TRP 5 -0.798 5.891 -14.514 37 HD1 TRP 5 HD1 TRP 5 0.396 9.391 -13.324 38 HE1 TRP 5 HE1 TRP 5 -0.442 11.129 -15.026 39 HE3 TRP 5 HE3 TRP 5 -1.796 6.234 -16.694 40 HZ2 TRP 5 HZ2 TRP 5 -1.848 11.158 -17.474 41 HZ3 TRP 5 HZ3 TRP 5 -2.866 7.197 -18.689 42 HH2 TRP 5 HH2 TRP 5 -2.891 9.609 -19.069 43 H LEU 6 H LEU 6 -2.244 8.455 -11.925 44 HA LEU 6 HA LEU 6 -4.475 8.605 -11.508 45 HB2 LEU 6 HB2 LEU 6 -4.829 6.229 -13.307 46 HB3 LEU 6 HB3 LEU 6 -5.938 7.572 -13.034 47 HG LEU 6 HG LEU 6 -3.389 7.579 -14.638 48 HD11 LEU 6 HD11 LEU 6 -5.357 6.701 -15.773 49 HD12 LEU 6 HD12 LEU 6 -4.881 8.257 -16.450 50 HD13 LEU 6 HD13 LEU 6 -6.260 8.157 -15.356 51 HD21 LEU 6 HD21 LEU 6 -5.065 9.870 -13.650 52 HD22 LEU 6 HD22 LEU 6 -4.036 9.995 -15.076 53 HD23 LEU 6 HD23 LEU 6 -3.323 9.640 -13.502 54 H GLY 7 H GLY 7 -2.774 6.724 -9.923 55 HA2 GLY 7 HA2 GLY 7 -4.376 4.470 -9.224 56 HA3 GLY 7 HA3 GLY 7 -3.006 5.092 -8.315 57 H GLY 8 H GLY 8 -3.994 7.713 -7.860 58 HA2 GLY 8 HA2 GLY 8 -5.831 8.816 -6.791 59 HA3 GLY 8 HA3 GLY 8 -6.454 7.243 -6.318 60 H CYS 9 H CYS 9 -3.981 9.658 -5.670 61 HA CYS 9 HA CYS 9 -3.016 8.317 -3.315 62 HB2 CYS 9 HB2 CYS 9 -1.554 10.190 -3.042 63 HB3 CYS 9 HB3 CYS 9 -1.620 9.832 -4.765 64 H SER 10 H SER 10 -2.766 10.169 -1.394 65 HA SER 10 HA SER 10 -5.262 11.507 -0.864 66 HB2 SER 10 HB2 SER 10 -5.215 8.860 -0.170 67 HB3 SER 10 HB3 SER 10 -4.660 9.625 1.319 68 HG SER 10 HG SER 10 -7.040 9.354 0.927 69 H ALA 11 H ALA 11 -5.097 11.881 1.824 70 HA ALA 11 HA ALA 11 -2.928 13.728 2.031 71 HB1 ALA 11 HB1 ALA 11 -4.713 14.542 3.181 72 HB2 ALA 11 HB2 ALA 11 -5.233 12.947 3.726 73 HB3 ALA 11 HB3 ALA 11 -3.871 13.745 4.511 74 H GLY 12 H GLY 12 -3.384 10.425 2.897 75 HA2 GLY 12 HA2 GLY 12 -0.810 10.487 4.347 76 HA3 GLY 12 HA3 GLY 12 -2.148 9.474 4.868 77 H GLN 13 H GLN 13 -1.671 9.838 1.480 78 HA GLN 13 HA GLN 13 -0.609 7.095 1.371 79 HB2 GLN 13 HB2 GLN 13 -2.660 8.532 -0.169 80 HB3 GLN 13 HB3 GLN 13 -1.541 7.594 -1.150 81 HG2 GLN 13 HG2 GLN 13 -2.048 5.636 0.348 82 HG3 GLN 13 HG3 GLN 13 -3.345 6.610 1.040 83 HE21 GLN 13 HE21 GLN 13 -2.163 6.124 -2.270 84 HE22 GLN 13 HE22 GLN 13 -3.688 5.647 -2.927 85 H THR 14 H THR 14 0.526 6.717 -0.866 86 HA THR 14 HA THR 14 2.245 8.999 -1.534 87 HB THR 14 HB THR 14 3.545 6.324 -1.327 88 HG1 THR 14 HG1 THR 14 2.933 6.292 0.725 89 HG21 THR 14 HG21 THR 14 5.284 8.142 -0.348 90 HG22 THR 14 HG22 THR 14 4.312 9.174 -1.398 91 HG23 THR 14 HG23 THR 14 5.132 7.761 -2.063 92 H CYS 15 H CYS 15 3.603 8.515 -3.508 93 HA CYS 15 HA CYS 15 2.129 6.767 -5.367 94 HB2 CYS 15 HB2 CYS 15 3.327 9.484 -5.944 95 HB3 CYS 15 HB3 CYS 15 2.618 8.418 -7.152 96 H CYS 16 H CYS 16 3.316 5.550 -6.782 97 HA CYS 16 HA CYS 16 5.873 4.744 -6.086 98 HB2 CYS 16 HB2 CYS 16 4.479 4.562 -8.764 99 HB3 CYS 16 HB3 CYS 16 5.958 3.699 -8.356 100 H LYS 17 H LYS 17 7.745 4.773 -7.787 101 HA LYS 17 HA LYS 17 8.781 7.379 -7.849 102 HB2 LYS 17 HB2 LYS 17 9.992 5.085 -7.962 103 HB3 LYS 17 HB3 LYS 17 9.741 5.216 -9.698 104 HG2 LYS 17 HG2 LYS 17 11.238 6.911 -9.931 105 HG3 LYS 17 HG3 LYS 17 10.954 7.535 -8.304 106 HD2 LYS 17 HD2 LYS 17 12.389 4.949 -8.889 107 HD3 LYS 17 HD3 LYS 17 13.205 6.494 -8.645 108 HE2 LYS 17 HE2 LYS 17 13.097 6.239 -6.442 109 HE3 LYS 17 HE3 LYS 17 11.344 6.069 -6.520 110 HZ1 LYS 17 HZ1 LYS 17 11.600 3.720 -6.920 111 HZ2 LYS 17 HZ2 LYS 17 12.426 4.141 -5.505 112 HZ3 LYS 17 HZ3 LYS 17 13.286 3.860 -6.935 113 H HIS 18 H HIS 18 9.373 8.675 -9.701 114 HA HIS 18 HA HIS 18 8.907 9.820 -11.611 115 HB2 HIS 18 HB2 HIS 18 8.470 6.995 -12.334 116 HB3 HIS 18 HB3 HIS 18 7.673 8.161 -13.386 117 HD1 HIS 18 HD1 HIS 18 9.085 8.451 -15.388 118 HD2 HIS 18 HD2 HIS 18 11.362 8.198 -11.922 119 HE1 HIS 18 HE1 HIS 18 11.467 8.787 -16.122 120 H LEU 19 H LEU 19 6.850 9.354 -9.434 121 HA LEU 19 HA LEU 19 4.610 10.517 -10.909 122 HB2 LEU 19 HB2 LEU 19 4.330 8.233 -8.962 123 HB3 LEU 19 HB3 LEU 19 2.997 9.127 -9.690 124 HG LEU 19 HG LEU 19 4.927 7.783 -11.509 125 HD11 LEU 19 HD11 LEU 19 4.577 5.732 -10.752 126 HD12 LEU 19 HD12 LEU 19 2.838 5.955 -10.933 127 HD13 LEU 19 HD13 LEU 19 3.627 6.378 -9.414 128 HD21 LEU 19 HD21 LEU 19 1.974 8.359 -11.489 129 HD22 LEU 19 HD22 LEU 19 2.747 7.343 -12.706 130 HD23 LEU 19 HD23 LEU 19 3.211 9.038 -12.547 131 H VAL 20 H VAL 20 3.076 11.643 -9.516 132 HA VAL 20 HA VAL 20 4.063 12.273 -6.832 133 HB VAL 20 HB VAL 20 3.569 14.722 -7.302 134 HG11 VAL 20 HG11 VAL 20 5.783 15.158 -7.922 135 HG12 VAL 20 HG12 VAL 20 5.854 13.571 -7.152 136 HG13 VAL 20 HG13 VAL 20 5.888 13.702 -8.911 137 HG21 VAL 20 HG21 VAL 20 4.253 14.531 -10.100 138 HG22 VAL 20 HG22 VAL 20 2.733 13.705 -9.758 139 HG23 VAL 20 HG23 VAL 20 2.931 15.403 -9.323 140 H CYS 21 H CYS 21 2.488 12.839 -5.371 141 HA CYS 21 HA CYS 21 -0.169 12.019 -5.957 142 HB2 CYS 21 HB2 CYS 21 0.669 11.691 -3.733 143 HB3 CYS 21 HB3 CYS 21 1.041 13.404 -3.561 144 H SER 22 H SER 22 -1.114 13.269 -7.519 145 HA SER 22 HA SER 22 -1.036 16.125 -7.480 146 HB2 SER 22 HB2 SER 22 -1.394 14.549 -9.505 147 HB3 SER 22 HB3 SER 22 -3.080 14.510 -8.989 148 HG SER 22 HG SER 22 -2.703 16.968 -8.982 149 H ARG 23 H ARG 23 -1.885 16.989 -5.646 150 HA ARG 23 HA ARG 23 -4.215 16.074 -4.347 151 HB2 ARG 23 HB2 ARG 23 -2.734 18.698 -4.257 152 HB3 ARG 23 HB3 ARG 23 -4.154 18.383 -3.270 153 HG2 ARG 23 HG2 ARG 23 -2.620 16.197 -2.737 154 HG3 ARG 23 HG3 ARG 23 -1.402 17.455 -2.958 155 HD2 ARG 23 HD2 ARG 23 -1.852 17.682 -0.719 156 HD3 ARG 23 HD3 ARG 23 -2.993 18.838 -1.404 157 HE ARG 23 HE ARG 23 -4.264 16.354 -1.205 158 HH11 ARG 23 HH11 ARG 23 -2.979 18.850 0.854 159 HH12 ARG 23 HH12 ARG 23 -4.082 18.529 2.151 160 HH21 ARG 23 HH21 ARG 23 -5.722 15.922 0.496 161 HH22 ARG 23 HH22 ARG 23 -5.641 16.862 1.947 162 H ARG 24 H ARG 24 -3.747 18.012 -7.137 163 HA ARG 24 HA ARG 24 -6.360 19.259 -7.011 164 HB2 ARG 24 HB2 ARG 24 -4.103 19.321 -9.000 165 HB3 ARG 24 HB3 ARG 24 -5.676 20.009 -9.379 166 HG2 ARG 24 HG2 ARG 24 -4.936 21.013 -6.853 167 HG3 ARG 24 HG3 ARG 24 -3.523 21.149 -7.902 168 HD2 ARG 24 HD2 ARG 24 -4.527 23.093 -8.484 169 HD3 ARG 24 HD3 ARG 24 -5.397 22.032 -9.592 170 HE ARG 24 HE ARG 24 -6.879 22.031 -7.286 171 HH11 ARG 24 HH11 ARG 24 -5.734 24.446 -9.518 172 HH12 ARG 24 HH12 ARG 24 -7.073 25.513 -9.253 173 HH21 ARG 24 HH21 ARG 24 -8.647 23.428 -6.929 174 HH22 ARG 24 HH22 ARG 24 -8.729 24.933 -7.780 175 H HIS 25 H HIS 25 -4.715 16.992 -9.220 176 HA HIS 25 HA HIS 25 -7.047 16.349 -10.688 177 HB2 HIS 25 HB2 HIS 25 -4.323 15.126 -10.420 178 HB3 HIS 25 HB3 HIS 25 -5.590 14.255 -11.281 179 HD1 HIS 25 HD1 HIS 25 -6.270 15.129 -13.584 180 HD2 HIS 25 HD2 HIS 25 -3.418 17.483 -11.691 181 HE1 HIS 25 HE1 HIS 25 -5.431 16.715 -15.346 182 H GLY 26 H GLY 26 -5.643 15.090 -7.748 183 HA2 GLY 26 HA2 GLY 26 -6.815 13.885 -6.111 184 HA3 GLY 26 HA3 GLY 26 -8.059 13.524 -7.299 185 H TRP 27 H TRP 27 -4.859 12.994 -8.356 186 HA TRP 27 HA TRP 27 -4.636 10.290 -7.410 187 HB2 TRP 27 HB2 TRP 27 -4.759 9.229 -9.635 188 HB3 TRP 27 HB3 TRP 27 -6.295 9.954 -9.168 189 HD1 TRP 27 HD1 TRP 27 -3.184 11.181 -11.167 190 HE1 TRP 27 HE1 TRP 27 -4.037 12.453 -13.236 191 HE3 TRP 27 HE3 TRP 27 -8.215 10.756 -10.363 192 HZ2 TRP 27 HZ2 TRP 27 -6.515 13.180 -14.376 193 HZ3 TRP 27 HZ3 TRP 27 -9.759 11.769 -11.990 194 HH2 TRP 27 HH2 TRP 27 -8.924 12.955 -13.954 195 H CYS 28 H CYS 28 -2.690 9.207 -8.277 196 HA CYS 28 HA CYS 28 -0.469 10.945 -8.246 197 HB2 CYS 28 HB2 CYS 28 -0.581 8.058 -9.144 198 HB3 CYS 28 HB3 CYS 28 0.869 8.945 -8.685 199 H VAL 29 H VAL 29 0.470 12.064 -9.819 200 HA VAL 29 HA VAL 29 -0.166 11.358 -12.609 201 HB VAL 29 HB VAL 29 0.298 13.747 -13.148 202 HG11 VAL 29 HG11 VAL 29 -1.957 13.390 -13.102 203 HG12 VAL 29 HG12 VAL 29 -1.951 12.853 -11.421 204 HG13 VAL 29 HG13 VAL 29 -1.819 14.571 -11.800 205 HG21 VAL 29 HG21 VAL 29 1.680 14.404 -11.319 206 HG22 VAL 29 HG22 VAL 29 0.199 15.357 -11.227 207 HG23 VAL 29 HG23 VAL 29 0.431 13.982 -10.147 208 H TRP 30 H TRP 30 1.507 11.926 -14.205 209 HA TRP 30 HA TRP 30 3.975 10.774 -13.593 210 HB2 TRP 30 HB2 TRP 30 3.171 12.602 -15.862 211 HB3 TRP 30 HB3 TRP 30 4.723 11.773 -15.780 212 HD1 TRP 30 HD1 TRP 30 1.711 11.389 -17.568 213 HE1 TRP 30 HE1 TRP 30 1.165 8.935 -18.122 214 HE3 TRP 30 HE3 TRP 30 4.839 9.089 -14.241 215 HZ2 TRP 30 HZ2 TRP 30 1.956 6.365 -17.263 216 HZ3 TRP 30 HZ3 TRP 30 4.883 6.630 -14.170 217 HH2 TRP 30 HH2 TRP 30 3.471 5.298 -15.650 218 H ASP 31 H ASP 31 5.763 11.520 -12.656 219 HA ASP 31 HA ASP 31 5.852 14.260 -11.744 220 HB2 ASP 31 HB2 ASP 31 6.551 12.398 -10.275 221 HB3 ASP 31 HB3 ASP 31 7.867 12.031 -11.386 222 H GLY 32 H GLY 32 6.807 15.883 -12.774 223 HA2 GLY 32 HA2 GLY 32 8.883 16.717 -13.784 224 HA3 GLY 32 HA3 GLY 32 8.929 15.234 -14.726 225 H THR 33 H THR 33 5.906 15.526 -15.040 226 HA THR 33 HA THR 33 5.984 17.594 -17.141 227 HB THR 33 HB THR 33 5.938 15.310 -18.090 228 HG1 THR 33 HG1 THR 33 3.392 16.452 -18.547 229 HG21 THR 33 HG21 THR 33 4.138 13.817 -17.750 230 HG22 THR 33 HG22 THR 33 3.178 15.041 -16.919 231 HG23 THR 33 HG23 THR 33 4.607 14.362 -16.140 232 H PHE 34 H PHE 34 4.124 16.028 -14.621 233 HA PHE 34 HA PHE 34 1.623 17.129 -14.993 234 HB2 PHE 34 HB2 PHE 34 1.193 16.679 -12.701 235 HB3 PHE 34 HB3 PHE 34 2.349 15.457 -13.222 236 HD1 PHE 34 HD2 PHE 34 4.869 16.079 -12.823 237 HD2 PHE 34 HD1 PHE 34 1.585 17.816 -10.745 238 HE1 PHE 34 HE2 PHE 34 6.375 16.722 -10.987 239 HE2 PHE 34 HE1 PHE 34 3.087 18.463 -8.906 240 HZ PHE 34 HZ PHE 34 5.485 17.915 -9.025 241 H SER 35 H SER 35 0.596 18.859 -13.607 242 HA SER 35 HA SER 35 2.382 21.120 -13.085 243 HB2 SER 35 HB2 SER 35 -0.139 21.412 -14.731 244 HB3 SER 35 HB3 SER 35 1.052 22.662 -14.372 245 HG SER 35 HG SER 35 1.667 21.993 -16.324 Start of MODEL 10 1 H1 GLU 1 H GLU 1 1.735 -0.526 0.747 2 HA GLU 1 HA GLU 1 3.365 0.110 -0.806 3 HB2 GLU 1 HB2 GLU 1 1.188 -1.514 -1.972 4 HB3 GLU 1 HB3 GLU 1 2.292 -0.783 -3.128 5 HG2 GLU 1 HG2 GLU 1 4.173 -1.861 -2.097 6 HG3 GLU 1 HG3 GLU 1 3.153 -2.485 -0.802 7 H CYS 2 H CYS 2 3.806 1.148 -2.967 8 HA CYS 2 HA CYS 2 2.544 3.725 -3.013 9 HB2 CYS 2 HB2 CYS 2 4.196 4.329 -4.631 10 HB3 CYS 2 HB3 CYS 2 4.995 3.313 -3.435 11 H ARG 3 H ARG 3 1.394 4.666 -4.727 12 HA ARG 3 HA ARG 3 -0.085 2.727 -6.344 13 HB2 ARG 3 HB2 ARG 3 -0.662 5.657 -5.875 14 HB3 ARG 3 HB3 ARG 3 -1.720 4.499 -6.670 15 HG2 ARG 3 HG2 ARG 3 -1.048 3.480 -4.103 16 HG3 ARG 3 HG3 ARG 3 -1.573 5.156 -3.926 17 HD2 ARG 3 HD2 ARG 3 -3.660 4.717 -4.919 18 HD3 ARG 3 HD3 ARG 3 -3.117 3.167 -5.563 19 HE ARG 3 HE ARG 3 -3.003 3.198 -2.725 20 HH11 ARG 3 HH11 ARG 3 -5.205 2.925 -5.407 21 HH12 ARG 3 HH12 ARG 3 -6.375 2.003 -4.522 22 HH21 ARG 3 HH21 ARG 3 -4.535 1.985 -1.549 23 HH22 ARG 3 HH22 ARG 3 -5.993 1.469 -2.327 24 H TYR 4 H TYR 4 -0.561 3.218 -8.589 25 HA TYR 4 HA TYR 4 1.738 4.478 -9.901 26 HB2 TYR 4 HB2 TYR 4 1.003 3.230 -11.910 27 HB3 TYR 4 HB3 TYR 4 1.332 2.172 -10.543 28 HD1 TYR 4 HD2 TYR 4 -0.484 1.005 -9.408 29 HD2 TYR 4 HD1 TYR 4 -1.248 3.513 -12.758 30 HE1 TYR 4 HE2 TYR 4 -2.725 0.015 -9.631 31 HE2 TYR 4 HE1 TYR 4 -3.491 2.531 -12.990 32 HH TYR 4 HH TYR 4 -5.088 1.060 -10.807 33 H TRP 5 H TRP 5 0.824 5.097 -12.342 34 HA TRP 5 HA TRP 5 -0.290 7.601 -12.092 35 HB2 TRP 5 HB2 TRP 5 0.828 6.485 -14.134 36 HB3 TRP 5 HB3 TRP 5 -0.789 5.909 -14.531 37 HD1 TRP 5 HD1 TRP 5 0.332 9.427 -13.320 38 HE1 TRP 5 HE1 TRP 5 -0.529 11.156 -15.021 39 HE3 TRP 5 HE3 TRP 5 -1.779 6.242 -16.717 40 HZ2 TRP 5 HZ2 TRP 5 -1.919 11.168 -17.477 41 HZ3 TRP 5 HZ3 TRP 5 -2.854 7.193 -18.715 42 HH2 TRP 5 HH2 TRP 5 -2.922 9.606 -19.085 43 H LEU 6 H LEU 6 -2.296 8.435 -11.937 44 HA LEU 6 HA LEU 6 -4.531 8.542 -11.530 45 HB2 LEU 6 HB2 LEU 6 -4.830 6.169 -13.344 46 HB3 LEU 6 HB3 LEU 6 -5.967 7.487 -13.068 47 HG LEU 6 HG LEU 6 -3.413 7.555 -14.662 48 HD11 LEU 6 HD11 LEU 6 -4.909 8.213 -16.475 49 HD12 LEU 6 HD12 LEU 6 -6.291 8.085 -15.388 50 HD13 LEU 6 HD13 LEU 6 -5.363 6.645 -15.806 51 HD21 LEU 6 HD21 LEU 6 -3.526 9.595 -13.359 52 HD22 LEU 6 HD22 LEU 6 -5.200 9.847 -13.853 53 HD23 LEU 6 HD23 LEU 6 -3.905 9.935 -15.048 54 H GLY 7 H GLY 7 -2.802 6.683 -9.947 55 HA2 GLY 7 HA2 GLY 7 -4.367 4.397 -9.268 56 HA3 GLY 7 HA3 GLY 7 -3.012 5.038 -8.350 57 H GLY 8 H GLY 8 -4.069 7.647 -7.907 58 HA2 GLY 8 HA2 GLY 8 -5.921 8.709 -6.832 59 HA3 GLY 8 HA3 GLY 8 -6.521 7.122 -6.372 60 H CYS 9 H CYS 9 -4.093 9.575 -5.695 61 HA CYS 9 HA CYS 9 -3.122 8.236 -3.340 62 HB2 CYS 9 HB2 CYS 9 -1.690 10.130 -3.048 63 HB3 CYS 9 HB3 CYS 9 -1.736 9.773 -4.772 64 H SER 10 H SER 10 -2.911 10.078 -1.407 65 HA SER 10 HA SER 10 -5.427 11.384 -0.890 66 HB2 SER 10 HB2 SER 10 -5.253 8.709 -0.158 67 HB3 SER 10 HB3 SER 10 -4.894 9.576 1.334 68 HG SER 10 HG SER 10 -7.239 9.110 0.453 69 H ALA 11 H ALA 11 -5.288 11.746 1.801 70 HA ALA 11 HA ALA 11 -3.142 13.614 2.036 71 HB1 ALA 11 HB1 ALA 11 -4.537 14.528 3.496 72 HB2 ALA 11 HB2 ALA 11 -5.612 13.140 3.333 73 HB3 ALA 11 HB3 ALA 11 -4.352 13.139 4.566 74 H GLY 12 H GLY 12 -3.575 10.303 2.891 75 HA2 GLY 12 HA2 GLY 12 -1.014 10.385 4.364 76 HA3 GLY 12 HA3 GLY 12 -2.344 9.349 4.859 77 H GLN 13 H GLN 13 -1.831 9.752 1.481 78 HA GLN 13 HA GLN 13 -0.726 7.026 1.360 79 HB2 GLN 13 HB2 GLN 13 -2.785 8.442 -0.190 80 HB3 GLN 13 HB3 GLN 13 -1.643 7.528 -1.166 81 HG2 GLN 13 HG2 GLN 13 -2.135 5.553 0.314 82 HG3 GLN 13 HG3 GLN 13 -3.451 6.502 1.001 83 HE21 GLN 13 HE21 GLN 13 -2.236 6.059 -2.302 84 HE22 GLN 13 HE22 GLN 13 -3.747 5.564 -2.975 85 H THR 14 H THR 14 0.430 6.688 -0.877 86 HA THR 14 HA THR 14 2.119 9.002 -1.507 87 HB THR 14 HB THR 14 3.460 6.346 -1.309 88 HG1 THR 14 HG1 THR 14 3.079 8.058 0.938 89 HG21 THR 14 HG21 THR 14 5.162 8.185 -0.305 90 HG22 THR 14 HG22 THR 14 4.183 9.208 -1.357 91 HG23 THR 14 HG23 THR 14 5.030 7.812 -2.023 92 H CYS 15 H CYS 15 3.500 8.559 -3.473 93 HA CYS 15 HA CYS 15 2.072 6.804 -5.360 94 HB2 CYS 15 HB2 CYS 15 3.224 9.550 -5.892 95 HB3 CYS 15 HB3 CYS 15 2.567 8.481 -7.127 96 H CYS 16 H CYS 16 3.290 5.616 -6.774 97 HA CYS 16 HA CYS 16 5.850 4.840 -6.062 98 HB2 CYS 16 HB2 CYS 16 4.473 4.667 -8.749 99 HB3 CYS 16 HB3 CYS 16 5.974 3.834 -8.354 100 H LYS 17 H LYS 17 7.742 4.917 -7.736 101 HA LYS 17 HA LYS 17 8.737 7.540 -7.761 102 HB2 LYS 17 HB2 LYS 17 10.053 5.361 -7.816 103 HB3 LYS 17 HB3 LYS 17 9.713 5.309 -9.541 104 HG2 LYS 17 HG2 LYS 17 11.175 6.962 -10.020 105 HG3 LYS 17 HG3 LYS 17 10.870 7.821 -8.509 106 HD2 LYS 17 HD2 LYS 17 12.115 5.259 -8.023 107 HD3 LYS 17 HD3 LYS 17 13.082 6.240 -9.127 108 HE2 LYS 17 HE2 LYS 17 13.480 7.856 -7.559 109 HE3 LYS 17 HE3 LYS 17 11.973 7.546 -6.698 110 HZ1 LYS 17 HZ1 LYS 17 14.276 6.825 -5.713 111 HZ2 LYS 17 HZ2 LYS 17 14.028 5.461 -6.681 112 HZ3 LYS 17 HZ3 LYS 17 12.897 5.870 -5.492 113 H HIS 18 H HIS 18 9.330 8.862 -9.593 114 HA HIS 18 HA HIS 18 8.873 10.015 -11.500 115 HB2 HIS 18 HB2 HIS 18 8.499 7.189 -12.252 116 HB3 HIS 18 HB3 HIS 18 7.695 8.348 -13.307 117 HD1 HIS 18 HD1 HIS 18 9.134 8.650 -15.289 118 HD2 HIS 18 HD2 HIS 18 11.358 8.471 -11.785 119 HE1 HIS 18 HE1 HIS 18 11.518 9.044 -15.985 120 H LEU 19 H LEU 19 6.794 9.499 -9.357 121 HA LEU 19 HA LEU 19 4.555 10.629 -10.859 122 HB2 LEU 19 HB2 LEU 19 4.289 8.334 -8.922 123 HB3 LEU 19 HB3 LEU 19 2.950 9.205 -9.667 124 HG LEU 19 HG LEU 19 4.940 7.880 -11.443 125 HD11 LEU 19 HD11 LEU 19 3.066 5.938 -11.163 126 HD12 LEU 19 HD12 LEU 19 3.230 6.500 -9.500 127 HD13 LEU 19 HD13 LEU 19 4.647 5.927 -10.380 128 HD21 LEU 19 HD21 LEU 19 2.804 7.456 -12.717 129 HD22 LEU 19 HD22 LEU 19 3.264 9.149 -12.533 130 HD23 LEU 19 HD23 LEU 19 1.989 8.466 -11.522 131 H VAL 20 H VAL 20 2.978 11.716 -9.480 132 HA VAL 20 HA VAL 20 3.925 12.362 -6.784 133 HB VAL 20 HB VAL 20 3.379 14.798 -7.250 134 HG11 VAL 20 HG11 VAL 20 5.600 15.231 -8.287 135 HG12 VAL 20 HG12 VAL 20 5.654 14.097 -6.936 136 HG13 VAL 20 HG13 VAL 20 5.746 13.501 -8.593 137 HG21 VAL 20 HG21 VAL 20 2.582 13.767 -9.715 138 HG22 VAL 20 HG22 VAL 20 2.722 15.467 -9.269 139 HG23 VAL 20 HG23 VAL 20 4.075 14.645 -10.046 140 H CYS 21 H CYS 21 2.325 12.897 -5.335 141 HA CYS 21 HA CYS 21 -0.307 12.010 -5.947 142 HB2 CYS 21 HB2 CYS 21 0.523 11.690 -3.718 143 HB3 CYS 21 HB3 CYS 21 0.850 13.410 -3.533 144 H SER 22 H SER 22 -1.268 13.248 -7.509 145 HA SER 22 HA SER 22 -1.256 16.104 -7.455 146 HB2 SER 22 HB2 SER 22 -1.565 14.529 -9.489 147 HB3 SER 22 HB3 SER 22 -3.253 14.455 -8.987 148 HG SER 22 HG SER 22 -1.759 16.708 -9.816 149 H ARG 23 H ARG 23 -2.164 16.996 -5.678 150 HA ARG 23 HA ARG 23 -4.479 16.003 -4.384 151 HB2 ARG 23 HB2 ARG 23 -3.151 18.715 -4.270 152 HB3 ARG 23 HB3 ARG 23 -4.466 18.216 -3.215 153 HG2 ARG 23 HG2 ARG 23 -2.693 16.178 -2.879 154 HG3 ARG 23 HG3 ARG 23 -1.620 17.558 -3.118 155 HD2 ARG 23 HD2 ARG 23 -1.992 17.480 -0.804 156 HD3 ARG 23 HD3 ARG 23 -3.054 18.760 -1.389 157 HE ARG 23 HE ARG 23 -4.840 17.529 -0.684 158 HH11 ARG 23 HH11 ARG 23 -2.082 15.425 -0.986 159 HH12 ARG 23 HH12 ARG 23 -2.891 14.052 -0.307 160 HH21 ARG 23 HH21 ARG 23 -5.916 15.727 0.211 161 HH22 ARG 23 HH22 ARG 23 -5.072 14.225 0.373 162 H ARG 24 H ARG 24 -4.009 17.994 -7.144 163 HA ARG 24 HA ARG 24 -6.646 19.185 -7.044 164 HB2 ARG 24 HB2 ARG 24 -4.344 19.311 -8.968 165 HB3 ARG 24 HB3 ARG 24 -5.929 19.914 -9.433 166 HG2 ARG 24 HG2 ARG 24 -5.601 21.126 -7.032 167 HG3 ARG 24 HG3 ARG 24 -3.935 21.049 -7.610 168 HD2 ARG 24 HD2 ARG 24 -5.517 21.848 -9.799 169 HD3 ARG 24 HD3 ARG 24 -6.054 22.799 -8.415 170 HE ARG 24 HE ARG 24 -4.065 23.926 -8.466 171 HH11 ARG 24 HH11 ARG 24 -3.769 21.011 -10.347 172 HH12 ARG 24 HH12 ARG 24 -2.204 21.416 -10.969 173 HH21 ARG 24 HH21 ARG 24 -2.004 24.470 -9.279 174 HH22 ARG 24 HH22 ARG 24 -1.200 23.384 -10.360 175 H HIS 25 H HIS 25 -4.943 16.881 -9.162 176 HA HIS 25 HA HIS 25 -7.258 16.227 -10.678 177 HB2 HIS 25 HB2 HIS 25 -4.508 15.068 -10.409 178 HB3 HIS 25 HB3 HIS 25 -5.752 14.163 -11.266 179 HD1 HIS 25 HD1 HIS 25 -6.503 15.056 -13.554 180 HD2 HIS 25 HD2 HIS 25 -3.616 17.401 -11.703 181 HE1 HIS 25 HE1 HIS 25 -5.693 16.648 -15.325 182 H GLY 26 H GLY 26 -5.829 14.984 -7.743 183 HA2 GLY 26 HA2 GLY 26 -6.976 13.750 -6.110 184 HA3 GLY 26 HA3 GLY 26 -8.215 13.372 -7.297 185 H TRP 27 H TRP 27 -5.004 12.906 -8.356 186 HA TRP 27 HA TRP 27 -4.735 10.200 -7.426 187 HB2 TRP 27 HB2 TRP 27 -4.835 9.150 -9.656 188 HB3 TRP 27 HB3 TRP 27 -6.385 9.847 -9.189 189 HD1 TRP 27 HD1 TRP 27 -3.292 11.142 -11.171 190 HE1 TRP 27 HE1 TRP 27 -4.162 12.408 -13.236 191 HE3 TRP 27 HE3 TRP 27 -8.316 10.616 -10.388 192 HZ2 TRP 27 HZ2 TRP 27 -6.649 13.095 -14.381 193 HZ3 TRP 27 HZ3 TRP 27 -9.873 11.607 -12.015 194 HH2 TRP 27 HH2 TRP 27 -9.055 12.821 -13.969 195 H CYS 28 H CYS 28 -2.766 9.160 -8.286 196 HA CYS 28 HA CYS 28 -0.577 10.936 -8.244 197 HB2 CYS 28 HB2 CYS 28 -0.643 8.050 -9.154 198 HB3 CYS 28 HB3 CYS 28 0.796 8.959 -8.703 199 H VAL 29 H VAL 29 0.349 12.079 -9.807 200 HA VAL 29 HA VAL 29 -0.272 11.381 -12.604 201 HB VAL 29 HB VAL 29 0.156 13.782 -13.125 202 HG11 VAL 29 HG11 VAL 29 -2.073 13.698 -13.105 203 HG12 VAL 29 HG12 VAL 29 -2.102 12.670 -11.671 204 HG13 VAL 29 HG13 VAL 29 -1.979 14.421 -11.499 205 HG21 VAL 29 HG21 VAL 29 1.523 14.446 -11.287 206 HG22 VAL 29 HG22 VAL 29 0.027 15.376 -11.195 207 HG23 VAL 29 HG23 VAL 29 0.276 13.999 -10.122 208 H TRP 30 H TRP 30 1.393 11.965 -14.193 209 HA TRP 30 HA TRP 30 3.881 10.861 -13.574 210 HB2 TRP 30 HB2 TRP 30 3.012 12.641 -15.854 211 HB3 TRP 30 HB3 TRP 30 4.609 11.903 -15.766 212 HD1 TRP 30 HD1 TRP 30 1.616 11.333 -17.543 213 HE1 TRP 30 HE1 TRP 30 1.218 8.848 -18.085 214 HE3 TRP 30 HE3 TRP 30 4.892 9.242 -14.222 215 HZ2 TRP 30 HZ2 TRP 30 2.166 6.335 -17.219 216 HZ3 TRP 30 HZ3 TRP 30 5.086 6.790 -14.142 217 HH2 TRP 30 HH2 TRP 30 3.750 5.369 -15.610 218 H ASP 31 H ASP 31 5.437 11.647 -12.333 219 HA ASP 31 HA ASP 31 5.536 14.358 -11.494 220 HB2 ASP 31 HB2 ASP 31 6.352 12.404 -10.152 221 HB3 ASP 31 HB3 ASP 31 7.718 12.279 -11.257 222 H GLY 32 H GLY 32 6.312 16.042 -12.569 223 HA2 GLY 32 HA2 GLY 32 8.271 17.083 -13.581 224 HA3 GLY 32 HA3 GLY 32 8.530 15.587 -14.465 225 H THR 33 H THR 33 5.464 15.559 -14.820 226 HA THR 33 HA THR 33 5.455 17.378 -17.137 227 HB THR 33 HB THR 33 3.996 15.893 -18.281 228 HG1 THR 33 HG1 THR 33 2.998 14.162 -17.278 229 HG21 THR 33 HG21 THR 33 6.530 15.178 -17.640 230 HG22 THR 33 HG22 THR 33 5.502 14.276 -18.753 231 HG23 THR 33 HG23 THR 33 5.638 13.769 -17.070 232 H PHE 34 H PHE 34 3.560 16.159 -14.426 233 HA PHE 34 HA PHE 34 1.132 17.386 -14.885 234 HB2 PHE 34 HB2 PHE 34 0.690 17.156 -12.555 235 HB3 PHE 34 HB3 PHE 34 1.732 15.807 -12.997 236 HD1 PHE 34 HD1 PHE 34 4.263 16.126 -12.592 237 HD2 PHE 34 HD2 PHE 34 1.243 18.503 -10.762 238 HE1 PHE 34 HE1 PHE 34 5.845 16.766 -10.820 239 HE2 PHE 34 HE2 PHE 34 2.821 19.148 -8.988 240 HZ PHE 34 HZ PHE 34 5.126 18.280 -9.016 241 H SER 35 H SER 35 0.241 19.266 -13.555 242 HA SER 35 HA SER 35 0.145 21.516 -13.232 243 HB2 SER 35 HB2 SER 35 1.474 21.651 -11.398 244 HB3 SER 35 HB3 SER 35 2.757 20.692 -12.135 245 HG SER 35 HG SER 35 3.430 22.836 -11.822 Start of MODEL 11 1 H1 GLU 1 H GLU 1 0.261 0.574 -0.036 2 HA GLU 1 HA GLU 1 3.030 0.257 -0.432 3 HB2 GLU 1 HB2 GLU 1 1.421 -1.729 -1.699 4 HB3 GLU 1 HB3 GLU 1 2.086 -0.685 -2.947 5 HG2 GLU 1 HG2 GLU 1 4.037 -1.473 -0.929 6 HG3 GLU 1 HG3 GLU 1 3.348 -2.828 -1.820 7 H CYS 2 H CYS 2 3.597 1.143 -2.787 8 HA CYS 2 HA CYS 2 2.402 3.751 -2.893 9 HB2 CYS 2 HB2 CYS 2 4.078 4.279 -4.512 10 HB3 CYS 2 HB3 CYS 2 4.844 3.265 -3.294 11 H ARG 3 H ARG 3 1.291 4.686 -4.636 12 HA ARG 3 HA ARG 3 -0.229 2.751 -6.223 13 HB2 ARG 3 HB2 ARG 3 -0.740 5.701 -5.802 14 HB3 ARG 3 HB3 ARG 3 -1.818 4.559 -6.593 15 HG2 ARG 3 HG2 ARG 3 -1.200 3.551 -4.011 16 HG3 ARG 3 HG3 ARG 3 -1.674 5.244 -3.854 17 HD2 ARG 3 HD2 ARG 3 -3.619 3.807 -3.676 18 HD3 ARG 3 HD3 ARG 3 -3.710 4.777 -5.146 19 HE ARG 3 HE ARG 3 -2.517 2.306 -5.746 20 HH11 ARG 3 HH11 ARG 3 -5.597 3.653 -4.841 21 HH12 ARG 3 HH12 ARG 3 -6.518 2.420 -5.638 22 HH21 ARG 3 HH21 ARG 3 -3.718 0.677 -6.799 23 HH22 ARG 3 HH22 ARG 3 -5.447 0.727 -6.751 24 H TYR 4 H TYR 4 -0.686 3.218 -8.479 25 HA TYR 4 HA TYR 4 1.649 4.402 -9.800 26 HB2 TYR 4 HB2 TYR 4 0.901 3.132 -11.790 27 HB3 TYR 4 HB3 TYR 4 1.198 2.092 -10.402 28 HD1 TYR 4 HD2 TYR 4 -0.651 0.989 -9.254 29 HD2 TYR 4 HD1 TYR 4 -1.336 3.443 -12.662 30 HE1 TYR 4 HE2 TYR 4 -2.910 0.042 -9.474 31 HE2 TYR 4 HE1 TYR 4 -3.598 2.504 -12.891 32 HH TYR 4 HH TYR 4 -5.172 0.909 -10.542 33 H TRP 5 H TRP 5 0.765 4.997 -12.257 34 HA TRP 5 HA TRP 5 -0.302 7.526 -12.059 35 HB2 TRP 5 HB2 TRP 5 0.808 6.353 -14.073 36 HB3 TRP 5 HB3 TRP 5 -0.817 5.801 -14.471 37 HD1 TRP 5 HD1 TRP 5 0.363 9.318 -13.314 38 HE1 TRP 5 HE1 TRP 5 -0.453 11.032 -15.052 39 HE3 TRP 5 HE3 TRP 5 -1.785 6.113 -16.670 40 HZ2 TRP 5 HZ2 TRP 5 -1.826 11.027 -17.518 41 HZ3 TRP 5 HZ3 TRP 5 -2.828 7.049 -18.692 42 HH2 TRP 5 HH2 TRP 5 -2.848 9.455 -19.106 43 H LEU 6 H LEU 6 -2.291 8.402 -11.932 44 HA LEU 6 HA LEU 6 -4.526 8.559 -11.540 45 HB2 LEU 6 HB2 LEU 6 -4.859 6.168 -13.324 46 HB3 LEU 6 HB3 LEU 6 -5.973 7.510 -13.072 47 HG LEU 6 HG LEU 6 -3.407 7.512 -14.649 48 HD11 LEU 6 HD11 LEU 6 -5.365 6.618 -15.794 49 HD12 LEU 6 HD12 LEU 6 -4.877 8.166 -16.484 50 HD13 LEU 6 HD13 LEU 6 -6.270 8.082 -15.406 51 HD21 LEU 6 HD21 LEU 6 -5.063 9.787 -13.617 52 HD22 LEU 6 HD22 LEU 6 -4.146 9.934 -15.117 53 HD23 LEU 6 HD23 LEU 6 -3.310 9.588 -13.602 54 H GLY 7 H GLY 7 -2.848 6.692 -9.916 55 HA2 GLY 7 HA2 GLY 7 -4.464 4.448 -9.216 56 HA3 GLY 7 HA3 GLY 7 -3.102 5.073 -8.299 57 H GLY 8 H GLY 8 -4.053 7.687 -7.839 58 HA2 GLY 8 HA2 GLY 8 -5.902 8.814 -6.807 59 HA3 GLY 8 HA3 GLY 8 -6.544 7.248 -6.336 60 H CYS 9 H CYS 9 -4.059 9.645 -5.668 61 HA CYS 9 HA CYS 9 -3.122 8.306 -3.302 62 HB2 CYS 9 HB2 CYS 9 -1.688 10.213 -2.997 63 HB3 CYS 9 HB3 CYS 9 -1.691 9.802 -4.709 64 H SER 10 H SER 10 -2.889 10.185 -1.389 65 HA SER 10 HA SER 10 -5.403 11.497 -0.879 66 HB2 SER 10 HB2 SER 10 -5.429 8.889 -0.205 67 HB3 SER 10 HB3 SER 10 -4.724 9.560 1.266 68 HG SER 10 HG SER 10 -7.283 9.676 0.368 69 H ALA 11 H ALA 11 -5.252 11.896 1.806 70 HA ALA 11 HA ALA 11 -3.108 13.771 2.005 71 HB1 ALA 11 HB1 ALA 11 -4.027 13.897 4.443 72 HB2 ALA 11 HB2 ALA 11 -4.994 14.510 3.100 73 HB3 ALA 11 HB3 ALA 11 -5.346 12.925 3.790 74 H GLY 12 H GLY 12 -3.537 10.472 2.920 75 HA2 GLY 12 HA2 GLY 12 -0.958 10.576 4.359 76 HA3 GLY 12 HA3 GLY 12 -2.286 9.557 4.896 77 H GLN 13 H GLN 13 -1.799 9.890 1.502 78 HA GLN 13 HA GLN 13 -0.726 7.151 1.426 79 HB2 GLN 13 HB2 GLN 13 -2.776 8.562 -0.139 80 HB3 GLN 13 HB3 GLN 13 -1.649 7.618 -1.104 81 HG2 GLN 13 HG2 GLN 13 -2.155 5.671 0.397 82 HG3 GLN 13 HG3 GLN 13 -3.446 6.646 1.098 83 HE21 GLN 13 HE21 GLN 13 -2.297 6.158 -2.222 84 HE22 GLN 13 HE22 GLN 13 -3.827 5.677 -2.864 85 H THR 14 H THR 14 0.419 6.755 -0.804 86 HA THR 14 HA THR 14 2.130 9.038 -1.488 87 HB THR 14 HB THR 14 3.442 6.371 -1.240 88 HG1 THR 14 HG1 THR 14 3.166 8.132 0.979 89 HG21 THR 14 HG21 THR 14 4.198 9.222 -1.356 90 HG22 THR 14 HG22 THR 14 5.027 7.802 -1.993 91 HG23 THR 14 HG23 THR 14 5.169 8.213 -0.285 92 H CYS 15 H CYS 15 3.495 8.544 -3.452 93 HA CYS 15 HA CYS 15 2.034 6.772 -5.299 94 HB2 CYS 15 HB2 CYS 15 3.244 9.482 -5.889 95 HB3 CYS 15 HB3 CYS 15 2.559 8.403 -7.100 96 H CYS 16 H CYS 16 3.225 5.529 -6.686 97 HA CYS 16 HA CYS 16 5.772 4.719 -5.962 98 HB2 CYS 16 HB2 CYS 16 4.399 4.513 -8.649 99 HB3 CYS 16 HB3 CYS 16 5.868 3.644 -8.217 100 H LYS 17 H LYS 17 7.657 4.718 -7.648 101 HA LYS 17 HA LYS 17 8.706 7.318 -7.735 102 HB2 LYS 17 HB2 LYS 17 10.032 5.190 -7.717 103 HB3 LYS 17 HB3 LYS 17 9.593 4.961 -9.405 104 HG2 LYS 17 HG2 LYS 17 10.987 6.600 -10.138 105 HG3 LYS 17 HG3 LYS 17 10.851 7.538 -8.649 106 HD2 LYS 17 HD2 LYS 17 12.061 5.135 -7.897 107 HD3 LYS 17 HD3 LYS 17 12.834 5.587 -9.418 108 HE2 LYS 17 HE2 LYS 17 13.707 7.528 -8.554 109 HE3 LYS 17 HE3 LYS 17 12.449 7.674 -7.327 110 HZ1 LYS 17 HZ1 LYS 17 13.886 5.326 -6.832 111 HZ2 LYS 17 HZ2 LYS 17 13.804 6.723 -5.881 112 HZ3 LYS 17 HZ3 LYS 17 15.007 6.572 -7.060 113 H HIS 18 H HIS 18 9.318 8.587 -9.598 114 HA HIS 18 HA HIS 18 8.875 9.709 -11.527 115 HB2 HIS 18 HB2 HIS 18 8.433 6.877 -12.216 116 HB3 HIS 18 HB3 HIS 18 7.649 8.031 -13.291 117 HD1 HIS 18 HD1 HIS 18 9.082 8.266 -15.286 118 HD2 HIS 18 HD2 HIS 18 11.324 8.097 -11.793 119 HE1 HIS 18 HE1 HIS 18 11.470 8.590 -16.004 120 H LEU 19 H LEU 19 6.798 9.286 -9.362 121 HA LEU 19 HA LEU 19 4.576 10.436 -10.873 122 HB2 LEU 19 HB2 LEU 19 4.273 8.180 -8.897 123 HB3 LEU 19 HB3 LEU 19 2.947 9.071 -9.642 124 HG LEU 19 HG LEU 19 4.879 7.696 -11.436 125 HD11 LEU 19 HD11 LEU 19 4.592 5.715 -10.465 126 HD12 LEU 19 HD12 LEU 19 2.912 5.806 -10.992 127 HD13 LEU 19 HD13 LEU 19 3.358 6.342 -9.372 128 HD21 LEU 19 HD21 LEU 19 1.925 8.271 -11.436 129 HD22 LEU 19 HD22 LEU 19 2.712 7.255 -12.644 130 HD23 LEU 19 HD23 LEU 19 3.166 8.953 -12.487 131 H VAL 20 H VAL 20 3.008 11.550 -9.483 132 HA VAL 20 HA VAL 20 3.979 12.225 -6.808 133 HB VAL 20 HB VAL 20 3.527 14.669 -7.302 134 HG11 VAL 20 HG11 VAL 20 5.776 13.892 -6.996 135 HG12 VAL 20 HG12 VAL 20 5.836 13.274 -8.648 136 HG13 VAL 20 HG13 VAL 20 5.754 15.012 -8.358 137 HG21 VAL 20 HG21 VAL 20 2.858 15.329 -9.316 138 HG22 VAL 20 HG22 VAL 20 4.199 14.489 -10.094 139 HG23 VAL 20 HG23 VAL 20 2.694 13.631 -9.763 140 H CYS 21 H CYS 21 2.390 12.807 -5.372 141 HA CYS 21 HA CYS 21 -0.265 12.003 -5.984 142 HB2 CYS 21 HB2 CYS 21 0.548 11.699 -3.745 143 HB3 CYS 21 HB3 CYS 21 0.920 13.413 -3.588 144 H SER 22 H SER 22 -1.181 13.241 -7.572 145 HA SER 22 HA SER 22 -1.088 16.100 -7.553 146 HB2 SER 22 HB2 SER 22 -1.403 14.505 -9.575 147 HB3 SER 22 HB3 SER 22 -3.103 14.491 -9.103 148 HG SER 22 HG SER 22 -2.241 16.172 -10.675 149 H ARG 23 H ARG 23 -2.016 17.059 -5.829 150 HA ARG 23 HA ARG 23 -4.391 16.125 -4.577 151 HB2 ARG 23 HB2 ARG 23 -2.963 18.784 -4.405 152 HB3 ARG 23 HB3 ARG 23 -4.317 18.321 -3.383 153 HG2 ARG 23 HG2 ARG 23 -2.761 16.242 -2.884 154 HG3 ARG 23 HG3 ARG 23 -1.503 17.390 -3.346 155 HD2 ARG 23 HD2 ARG 23 -1.584 18.101 -1.232 156 HD3 ARG 23 HD3 ARG 23 -3.110 18.867 -1.671 157 HE ARG 23 HE ARG 23 -3.614 16.206 -0.950 158 HH11 ARG 23 HH11 ARG 23 -2.592 19.210 0.483 159 HH12 ARG 23 HH12 ARG 23 -3.244 18.838 2.044 160 HH21 ARG 23 HH21 ARG 23 -4.477 15.705 1.101 161 HH22 ARG 23 HH22 ARG 23 -4.316 16.844 2.395 162 H ARG 24 H ARG 24 -3.790 18.039 -7.345 163 HA ARG 24 HA ARG 24 -6.364 19.373 -7.291 164 HB2 ARG 24 HB2 ARG 24 -4.014 19.393 -9.157 165 HB3 ARG 24 HB3 ARG 24 -5.560 20.053 -9.671 166 HG2 ARG 24 HG2 ARG 24 -4.483 20.970 -7.069 167 HG3 ARG 24 HG3 ARG 24 -3.685 21.539 -8.536 168 HD2 ARG 24 HD2 ARG 24 -5.299 23.029 -8.849 169 HD3 ARG 24 HD3 ARG 24 -6.494 21.734 -8.917 170 HE ARG 24 HE ARG 24 -5.856 22.298 -6.231 171 HH11 ARG 24 HH11 ARG 24 -7.543 23.654 -8.958 172 HH12 ARG 24 HH12 ARG 24 -8.661 24.553 -7.986 173 HH21 ARG 24 HH21 ARG 24 -7.322 23.477 -4.940 174 HH22 ARG 24 HH22 ARG 24 -8.533 24.452 -5.701 175 H HIS 25 H HIS 25 -4.743 16.854 -9.193 176 HA HIS 25 HA HIS 25 -7.065 16.335 -10.801 177 HB2 HIS 25 HB2 HIS 25 -4.347 15.112 -10.527 178 HB3 HIS 25 HB3 HIS 25 -5.613 14.213 -11.358 179 HD1 HIS 25 HD1 HIS 25 -6.397 15.108 -13.646 180 HD2 HIS 25 HD2 HIS 25 -3.389 17.370 -11.887 181 HE1 HIS 25 HE1 HIS 25 -5.563 16.640 -15.456 182 H GLY 26 H GLY 26 -5.705 15.084 -7.843 183 HA2 GLY 26 HA2 GLY 26 -6.904 13.894 -6.214 184 HA3 GLY 26 HA3 GLY 26 -8.132 13.529 -7.417 185 H TRP 27 H TRP 27 -4.921 12.981 -8.429 186 HA TRP 27 HA TRP 27 -4.718 10.283 -7.459 187 HB2 TRP 27 HB2 TRP 27 -4.817 9.205 -9.676 188 HB3 TRP 27 HB3 TRP 27 -6.356 9.938 -9.233 189 HD1 TRP 27 HD1 TRP 27 -3.220 11.141 -11.206 190 HE1 TRP 27 HE1 TRP 27 -4.046 12.398 -13.294 191 HE3 TRP 27 HE3 TRP 27 -8.261 10.735 -10.457 192 HZ2 TRP 27 HZ2 TRP 27 -6.508 13.123 -14.468 193 HZ3 TRP 27 HZ3 TRP 27 -9.783 11.739 -12.109 194 HH2 TRP 27 HH2 TRP 27 -8.923 12.908 -14.072 195 H CYS 28 H CYS 28 -2.768 9.184 -8.310 196 HA CYS 28 HA CYS 28 -0.541 10.921 -8.266 197 HB2 CYS 28 HB2 CYS 28 -0.663 8.018 -9.113 198 HB3 CYS 28 HB3 CYS 28 0.795 8.906 -8.681 199 H VAL 29 H VAL 29 0.431 12.008 -9.842 200 HA VAL 29 HA VAL 29 -0.184 11.272 -12.630 201 HB VAL 29 HB VAL 29 0.302 13.650 -13.195 202 HG11 VAL 29 HG11 VAL 29 -1.959 13.286 -13.151 203 HG12 VAL 29 HG12 VAL 29 -1.963 12.820 -11.449 204 HG13 VAL 29 HG13 VAL 29 -1.815 14.519 -11.899 205 HG21 VAL 29 HG21 VAL 29 0.421 13.922 -10.198 206 HG22 VAL 29 HG22 VAL 29 1.681 14.319 -11.367 207 HG23 VAL 29 HG23 VAL 29 0.207 15.285 -11.297 208 H TRP 30 H TRP 30 1.511 11.824 -14.215 209 HA TRP 30 HA TRP 30 3.963 10.654 -13.563 210 HB2 TRP 30 HB2 TRP 30 3.196 12.456 -15.865 211 HB3 TRP 30 HB3 TRP 30 4.741 11.616 -15.756 212 HD1 TRP 30 HD1 TRP 30 1.745 11.229 -17.570 213 HE1 TRP 30 HE1 TRP 30 1.186 8.772 -18.096 214 HE3 TRP 30 HE3 TRP 30 4.818 8.954 -14.177 215 HZ2 TRP 30 HZ2 TRP 30 1.946 6.209 -17.190 216 HZ3 TRP 30 HZ3 TRP 30 4.842 6.496 -14.070 217 HH2 TRP 30 HH2 TRP 30 3.435 5.154 -15.546 218 H ASP 31 H ASP 31 5.732 11.399 -12.595 219 HA ASP 31 HA ASP 31 5.838 14.154 -11.735 220 HB2 ASP 31 HB2 ASP 31 6.496 12.268 -10.246 221 HB3 ASP 31 HB3 ASP 31 7.861 11.945 -11.311 222 H GLY 32 H GLY 32 6.826 15.748 -12.778 223 HA2 GLY 32 HA2 GLY 32 8.925 16.544 -13.769 224 HA3 GLY 32 HA3 GLY 32 8.973 15.043 -14.683 225 H THR 33 H THR 33 5.959 15.355 -15.055 226 HA THR 33 HA THR 33 6.091 17.385 -17.190 227 HB THR 33 HB THR 33 6.042 15.084 -18.098 228 HG1 THR 33 HG1 THR 33 4.150 15.474 -19.442 229 HG21 THR 33 HG21 THR 33 4.079 13.690 -17.833 230 HG22 THR 33 HG22 THR 33 3.313 14.910 -16.815 231 HG23 THR 33 HG23 THR 33 4.750 14.062 -16.246 232 H PHE 34 H PHE 34 4.176 15.881 -14.674 233 HA PHE 34 HA PHE 34 1.691 16.995 -15.109 234 HB2 PHE 34 HB2 PHE 34 1.218 16.590 -12.817 235 HB3 PHE 34 HB3 PHE 34 2.373 15.350 -13.295 236 HD1 PHE 34 HD2 PHE 34 4.891 15.963 -12.866 237 HD2 PHE 34 HD1 PHE 34 1.585 17.757 -10.874 238 HE1 PHE 34 HE2 PHE 34 6.371 16.628 -11.017 239 HE2 PHE 34 HE1 PHE 34 3.060 18.426 -9.022 240 HZ PHE 34 HZ PHE 34 5.456 17.861 -9.091 241 H SER 35 H SER 35 0.652 18.763 -13.790 242 HA SER 35 HA SER 35 0.418 20.993 -13.401 243 HB2 SER 35 HB2 SER 35 1.558 20.986 -11.419 244 HB3 SER 35 HB3 SER 35 3.004 20.270 -12.132 245 HG SER 35 HG SER 35 3.667 22.279 -11.851 Start of MODEL 12 1 H1 GLU 1 H GLU 1 1.470 -0.152 0.799 2 HA GLU 1 HA GLU 1 3.137 0.000 -0.745 3 HB2 GLU 1 HB2 GLU 1 1.287 -1.872 -1.880 4 HB3 GLU 1 HB3 GLU 1 1.938 -0.861 -3.162 5 HG2 GLU 1 HG2 GLU 1 4.173 -1.478 -2.620 6 HG3 GLU 1 HG3 GLU 1 3.648 -2.300 -1.152 7 H CYS 2 H CYS 2 3.634 1.022 -2.962 8 HA CYS 2 HA CYS 2 2.382 3.605 -2.994 9 HB2 CYS 2 HB2 CYS 2 4.053 4.219 -4.589 10 HB3 CYS 2 HB3 CYS 2 4.836 3.185 -3.398 11 H ARG 3 H ARG 3 1.253 4.568 -4.709 12 HA ARG 3 HA ARG 3 -0.215 2.650 -6.363 13 HB2 ARG 3 HB2 ARG 3 -0.795 5.573 -5.855 14 HB3 ARG 3 HB3 ARG 3 -1.845 4.431 -6.682 15 HG2 ARG 3 HG2 ARG 3 -1.212 3.358 -4.131 16 HG3 ARG 3 HG3 ARG 3 -1.718 5.036 -3.922 17 HD2 ARG 3 HD2 ARG 3 -3.596 3.428 -3.812 18 HD3 ARG 3 HD3 ARG 3 -3.772 4.615 -5.103 19 HE ARG 3 HE ARG 3 -3.685 2.912 -6.625 20 HH11 ARG 3 HH11 ARG 3 -2.458 1.767 -3.574 21 HH12 ARG 3 HH12 ARG 3 -2.343 0.118 -4.091 22 HH21 ARG 3 HH21 ARG 3 -3.538 0.744 -7.317 23 HH22 ARG 3 HH22 ARG 3 -2.957 -0.463 -6.221 24 H TYR 4 H TYR 4 -0.677 3.180 -8.605 25 HA TYR 4 HA TYR 4 1.637 4.453 -9.879 26 HB2 TYR 4 HB2 TYR 4 0.913 3.236 -11.914 27 HB3 TYR 4 HB3 TYR 4 1.237 2.158 -10.560 28 HD1 TYR 4 HD2 TYR 4 -0.582 0.970 -9.454 29 HD2 TYR 4 HD1 TYR 4 -1.336 3.531 -12.766 30 HE1 TYR 4 HE2 TYR 4 -2.819 -0.020 -9.703 31 HE2 TYR 4 HE1 TYR 4 -3.576 2.549 -13.024 32 HH TYR 4 HH TYR 4 -4.559 -0.271 -11.262 33 H TRP 5 H TRP 5 0.752 5.115 -12.316 34 HA TRP 5 HA TRP 5 -0.370 7.613 -12.035 35 HB2 TRP 5 HB2 TRP 5 0.779 6.539 -14.081 36 HB3 TRP 5 HB3 TRP 5 -0.829 5.963 -14.511 37 HD1 TRP 5 HD1 TRP 5 0.266 9.464 -13.227 38 HE1 TRP 5 HE1 TRP 5 -0.582 11.219 -14.908 39 HE3 TRP 5 HE3 TRP 5 -1.802 6.331 -16.697 40 HZ2 TRP 5 HZ2 TRP 5 -1.948 11.268 -17.378 41 HZ3 TRP 5 HZ3 TRP 5 -2.860 7.312 -18.690 42 HH2 TRP 5 HH2 TRP 5 -2.931 9.730 -19.021 43 H LEU 6 H LEU 6 -2.378 8.440 -11.889 44 HA LEU 6 HA LEU 6 -4.621 8.540 -11.524 45 HB2 LEU 6 HB2 LEU 6 -4.876 6.181 -13.364 46 HB3 LEU 6 HB3 LEU 6 -6.034 7.480 -13.085 47 HG LEU 6 HG LEU 6 -3.461 7.606 -14.645 48 HD11 LEU 6 HD11 LEU 6 -6.333 8.104 -15.414 49 HD12 LEU 6 HD12 LEU 6 -5.388 6.671 -15.818 50 HD13 LEU 6 HD13 LEU 6 -4.933 8.241 -16.478 51 HD21 LEU 6 HD21 LEU 6 -3.625 9.631 -13.329 52 HD22 LEU 6 HD22 LEU 6 -5.301 9.854 -13.832 53 HD23 LEU 6 HD23 LEU 6 -4.000 9.981 -15.017 54 H GLY 7 H GLY 7 -2.905 6.668 -9.936 55 HA2 GLY 7 HA2 GLY 7 -4.484 4.380 -9.291 56 HA3 GLY 7 HA3 GLY 7 -3.131 5.004 -8.359 57 H GLY 8 H GLY 8 -4.207 7.627 -7.933 58 HA2 GLY 8 HA2 GLY 8 -6.039 8.689 -6.843 59 HA3 GLY 8 HA3 GLY 8 -6.664 7.103 -6.414 60 H CYS 9 H CYS 9 -4.214 9.514 -5.670 61 HA CYS 9 HA CYS 9 -3.282 8.128 -3.328 62 HB2 CYS 9 HB2 CYS 9 -1.856 10.028 -2.975 63 HB3 CYS 9 HB3 CYS 9 -1.854 9.666 -4.698 64 H SER 10 H SER 10 -3.077 9.953 -1.369 65 HA SER 10 HA SER 10 -5.597 11.251 -0.852 66 HB2 SER 10 HB2 SER 10 -5.389 8.560 -0.129 67 HB3 SER 10 HB3 SER 10 -5.104 9.445 1.369 68 HG SER 10 HG SER 10 -7.070 10.478 1.102 69 H ALA 11 H ALA 11 -5.476 11.581 1.844 70 HA ALA 11 HA ALA 11 -3.333 13.449 2.114 71 HB1 ALA 11 HB1 ALA 11 -5.736 13.489 3.129 72 HB2 ALA 11 HB2 ALA 11 -4.988 12.575 4.439 73 HB3 ALA 11 HB3 ALA 11 -4.385 14.180 4.027 74 H GLY 12 H GLY 12 -3.769 10.128 2.931 75 HA2 GLY 12 HA2 GLY 12 -1.217 10.195 4.419 76 HA3 GLY 12 HA3 GLY 12 -2.550 9.154 4.895 77 H GLN 13 H GLN 13 -2.015 9.593 1.524 78 HA GLN 13 HA GLN 13 -0.913 6.868 1.381 79 HB2 GLN 13 HB2 GLN 13 -2.958 8.305 -0.168 80 HB3 GLN 13 HB3 GLN 13 -1.809 7.401 -1.146 81 HG2 GLN 13 HG2 GLN 13 -2.315 5.409 0.306 82 HG3 GLN 13 HG3 GLN 13 -3.636 6.352 0.995 83 HE21 GLN 13 HE21 GLN 13 -2.395 5.946 -2.304 84 HE22 GLN 13 HE22 GLN 13 -3.902 5.461 -2.995 85 H THR 14 H THR 14 0.261 6.552 -0.849 86 HA THR 14 HA THR 14 1.956 8.871 -1.444 87 HB THR 14 HB THR 14 3.295 6.212 -1.252 88 HG1 THR 14 HG1 THR 14 2.732 7.900 0.978 89 HG21 THR 14 HG21 THR 14 4.992 8.042 -0.226 90 HG22 THR 14 HG22 THR 14 4.021 9.074 -1.276 91 HG23 THR 14 HG23 THR 14 4.871 7.682 -1.947 92 H CYS 15 H CYS 15 3.352 8.446 -3.402 93 HA CYS 15 HA CYS 15 1.942 6.704 -5.315 94 HB2 CYS 15 HB2 CYS 15 3.110 9.448 -5.827 95 HB3 CYS 15 HB3 CYS 15 2.438 8.391 -7.064 96 H CYS 16 H CYS 16 3.172 5.527 -6.726 97 HA CYS 16 HA CYS 16 5.724 4.741 -5.998 98 HB2 CYS 16 HB2 CYS 16 4.381 4.599 -8.704 99 HB3 CYS 16 HB3 CYS 16 5.870 3.753 -8.294 100 H LYS 17 H LYS 17 7.635 4.833 -7.646 101 HA LYS 17 HA LYS 17 8.634 7.454 -7.635 102 HB2 LYS 17 HB2 LYS 17 9.911 5.222 -7.733 103 HB3 LYS 17 HB3 LYS 17 9.646 5.293 -9.471 104 HG2 LYS 17 HG2 LYS 17 11.145 6.954 -9.772 105 HG3 LYS 17 HG3 LYS 17 10.784 7.712 -8.219 106 HD2 LYS 17 HD2 LYS 17 12.204 5.074 -8.357 107 HD3 LYS 17 HD3 LYS 17 13.087 6.591 -8.546 108 HE2 LYS 17 HE2 LYS 17 11.743 7.212 -6.348 109 HE3 LYS 17 HE3 LYS 17 11.724 5.460 -6.158 110 HZ1 LYS 17 HZ1 LYS 17 14.305 6.499 -6.870 111 HZ2 LYS 17 HZ2 LYS 17 13.875 5.431 -5.631 112 HZ3 LYS 17 HZ3 LYS 17 13.738 7.100 -5.394 113 H HIS 18 H HIS 18 9.250 8.794 -9.447 114 HA HIS 18 HA HIS 18 8.813 9.970 -11.344 115 HB2 HIS 18 HB2 HIS 18 8.436 7.154 -12.132 116 HB3 HIS 18 HB3 HIS 18 7.647 8.329 -13.181 117 HD1 HIS 18 HD1 HIS 18 9.095 8.735 -15.132 118 HD2 HIS 18 HD2 HIS 18 11.306 8.334 -11.638 119 HE1 HIS 18 HE1 HIS 18 11.489 9.106 -15.805 120 H LEU 19 H LEU 19 6.709 9.422 -9.228 121 HA LEU 19 HA LEU 19 4.490 10.589 -10.732 122 HB2 LEU 19 HB2 LEU 19 4.197 8.255 -8.846 123 HB3 LEU 19 HB3 LEU 19 2.868 9.147 -9.584 124 HG LEU 19 HG LEU 19 4.857 7.882 -11.394 125 HD11 LEU 19 HD11 LEU 19 3.053 5.881 -11.136 126 HD12 LEU 19 HD12 LEU 19 3.198 6.417 -9.463 127 HD13 LEU 19 HD13 LEU 19 4.633 5.906 -10.351 128 HD21 LEU 19 HD21 LEU 19 1.895 8.410 -11.413 129 HD22 LEU 19 HD22 LEU 19 2.699 7.421 -12.633 130 HD23 LEU 19 HD23 LEU 19 3.140 9.119 -12.442 131 H VAL 20 H VAL 20 2.929 11.692 -9.374 132 HA VAL 20 HA VAL 20 3.831 12.265 -6.645 133 HB VAL 20 HB VAL 20 3.389 14.702 -7.026 134 HG11 VAL 20 HG11 VAL 20 5.641 14.224 -6.859 135 HG12 VAL 20 HG12 VAL 20 5.647 13.235 -8.320 136 HG13 VAL 20 HG13 VAL 20 5.553 14.992 -8.444 137 HG21 VAL 20 HG21 VAL 20 3.301 13.791 -9.894 138 HG22 VAL 20 HG22 VAL 20 2.066 14.677 -9.001 139 HG23 VAL 20 HG23 VAL 20 3.588 15.465 -9.418 140 H CYS 21 H CYS 21 2.214 12.781 -5.210 141 HA CYS 21 HA CYS 21 -0.415 11.933 -5.876 142 HB2 CYS 21 HB2 CYS 21 0.378 11.579 -3.638 143 HB3 CYS 21 HB3 CYS 21 0.713 13.294 -3.426 144 H SER 22 H SER 22 -1.349 13.195 -7.432 145 HA SER 22 HA SER 22 -1.317 16.054 -7.333 146 HB2 SER 22 HB2 SER 22 -1.587 14.507 -9.399 147 HB3 SER 22 HB3 SER 22 -3.289 14.450 -8.941 148 HG SER 22 HG SER 22 -1.845 16.858 -9.338 149 H ARG 23 H ARG 23 -2.278 16.950 -5.595 150 HA ARG 23 HA ARG 23 -4.638 15.932 -4.381 151 HB2 ARG 23 HB2 ARG 23 -3.203 18.575 -4.131 152 HB3 ARG 23 HB3 ARG 23 -4.626 18.163 -3.184 153 HG2 ARG 23 HG2 ARG 23 -3.422 16.235 -2.249 154 HG3 ARG 23 HG3 ARG 23 -1.989 16.711 -3.162 155 HD2 ARG 23 HD2 ARG 23 -2.837 19.006 -1.789 156 HD3 ARG 23 HD3 ARG 23 -2.948 17.680 -0.633 157 HE ARG 23 HE ARG 23 -0.472 17.745 -2.093 158 HH11 ARG 23 HH11 ARG 23 -2.191 18.931 0.692 159 HH12 ARG 23 HH12 ARG 23 -0.753 19.271 1.597 160 HH21 ARG 23 HH21 ARG 23 1.428 18.189 -0.913 161 HH22 ARG 23 HH22 ARG 23 1.305 18.850 0.683 162 H ARG 24 H ARG 24 -4.060 17.946 -7.088 163 HA ARG 24 HA ARG 24 -6.662 19.218 -7.021 164 HB2 ARG 24 HB2 ARG 24 -4.399 19.266 -9.016 165 HB3 ARG 24 HB3 ARG 24 -5.929 20.090 -9.286 166 HG2 ARG 24 HG2 ARG 24 -5.098 20.899 -6.748 167 HG3 ARG 24 HG3 ARG 24 -3.647 20.922 -7.753 168 HD2 ARG 24 HD2 ARG 24 -6.261 22.320 -8.298 169 HD3 ARG 24 HD3 ARG 24 -4.725 23.072 -7.869 170 HE ARG 24 HE ARG 24 -4.575 21.497 -10.258 171 HH11 ARG 24 HH11 ARG 24 -5.436 24.609 -8.956 172 HH12 ARG 24 HH12 ARG 24 -5.186 25.449 -10.451 173 HH21 ARG 24 HH21 ARG 24 -4.243 22.592 -12.232 174 HH22 ARG 24 HH22 ARG 24 -4.509 24.300 -12.314 175 H HIS 25 H HIS 25 -4.988 16.780 -8.984 176 HA HIS 25 HA HIS 25 -7.301 16.249 -10.601 177 HB2 HIS 25 HB2 HIS 25 -4.565 15.049 -10.348 178 HB3 HIS 25 HB3 HIS 25 -5.818 14.184 -11.233 179 HD1 HIS 25 HD1 HIS 25 -6.459 15.068 -13.534 180 HD2 HIS 25 HD2 HIS 25 -3.719 17.478 -11.547 181 HE1 HIS 25 HE1 HIS 25 -5.638 16.711 -15.252 182 H GLY 26 H GLY 26 -5.912 14.956 -7.674 183 HA2 GLY 26 HA2 GLY 26 -7.085 13.703 -6.073 184 HA3 GLY 26 HA3 GLY 26 -8.306 13.340 -7.284 185 H TRP 27 H TRP 27 -5.083 12.885 -8.307 186 HA TRP 27 HA TRP 27 -4.823 10.170 -7.401 187 HB2 TRP 27 HB2 TRP 27 -4.898 9.144 -9.644 188 HB3 TRP 27 HB3 TRP 27 -6.453 9.833 -9.186 189 HD1 TRP 27 HD1 TRP 27 -3.341 11.160 -11.117 190 HE1 TRP 27 HE1 TRP 27 -4.190 12.444 -13.179 191 HE3 TRP 27 HE3 TRP 27 -8.372 10.603 -10.404 192 HZ2 TRP 27 HZ2 TRP 27 -6.666 13.132 -14.348 193 HZ3 TRP 27 HZ3 TRP 27 -9.913 11.606 -12.040 194 HH2 TRP 27 HH2 TRP 27 -9.076 12.844 -13.970 195 H CYS 28 H CYS 28 -2.850 9.133 -8.278 196 HA CYS 28 HA CYS 28 -0.660 10.913 -8.188 197 HB2 CYS 28 HB2 CYS 28 -0.709 8.036 -9.122 198 HB3 CYS 28 HB3 CYS 28 0.720 8.943 -8.638 199 H VAL 29 H VAL 29 0.306 12.049 -9.734 200 HA VAL 29 HA VAL 29 -0.306 11.386 -12.540 201 HB VAL 29 HB VAL 29 0.167 13.787 -13.034 202 HG11 VAL 29 HG11 VAL 29 -2.075 13.592 -13.053 203 HG12 VAL 29 HG12 VAL 29 -2.119 12.754 -11.501 204 HG13 VAL 29 HG13 VAL 29 -1.979 14.512 -11.551 205 HG21 VAL 29 HG21 VAL 29 0.235 13.973 -10.027 206 HG22 VAL 29 HG22 VAL 29 1.517 14.403 -11.160 207 HG23 VAL 29 HG23 VAL 29 0.039 15.364 -11.095 208 H TRP 30 H TRP 30 1.377 11.969 -14.114 209 HA TRP 30 HA TRP 30 3.852 10.830 -13.471 210 HB2 TRP 30 HB2 TRP 30 3.006 12.591 -15.774 211 HB3 TRP 30 HB3 TRP 30 4.599 11.846 -15.670 212 HD1 TRP 30 HD1 TRP 30 1.605 11.274 -17.451 213 HE1 TRP 30 HE1 TRP 30 1.197 8.786 -17.971 214 HE3 TRP 30 HE3 TRP 30 4.866 9.200 -14.104 215 HZ2 TRP 30 HZ2 TRP 30 2.133 6.277 -17.079 216 HZ3 TRP 30 HZ3 TRP 30 5.049 6.748 -14.000 217 HH2 TRP 30 HH2 TRP 30 3.709 5.319 -15.457 218 H ASP 31 H ASP 31 5.417 11.616 -12.242 219 HA ASP 31 HA ASP 31 5.532 14.347 -11.447 220 HB2 ASP 31 HB2 ASP 31 6.286 12.426 -10.034 221 HB3 ASP 31 HB3 ASP 31 7.661 12.226 -11.117 222 H GLY 32 H GLY 32 6.344 15.988 -12.561 223 HA2 GLY 32 HA2 GLY 32 8.346 16.971 -13.555 224 HA3 GLY 32 HA3 GLY 32 8.593 15.449 -14.398 225 H THR 33 H THR 33 5.541 15.457 -14.817 226 HA THR 33 HA THR 33 5.600 17.232 -17.168 227 HB THR 33 HB THR 33 4.150 15.740 -18.316 228 HG1 THR 33 HG1 THR 33 2.804 14.498 -17.262 229 HG21 THR 33 HG21 THR 33 6.655 15.045 -17.730 230 HG22 THR 33 HG22 THR 33 5.594 14.012 -18.687 231 HG23 THR 33 HG23 THR 33 5.824 13.690 -16.969 232 H PHE 34 H PHE 34 3.646 16.089 -14.469 233 HA PHE 34 HA PHE 34 1.234 17.317 -15.000 234 HB2 PHE 34 HB2 PHE 34 0.750 17.149 -12.675 235 HB3 PHE 34 HB3 PHE 34 1.795 15.786 -13.061 236 HD1 PHE 34 HD1 PHE 34 4.335 16.149 -12.647 237 HD2 PHE 34 HD2 PHE 34 1.260 18.503 -10.881 238 HE1 PHE 34 HE1 PHE 34 5.887 16.832 -10.864 239 HE2 PHE 34 HE2 PHE 34 2.807 19.191 -9.096 240 HZ PHE 34 HZ PHE 34 5.124 18.356 -9.086 241 H SER 35 H SER 35 0.328 19.238 -13.752 242 HA SER 35 HA SER 35 0.235 21.501 -13.522 243 HB2 SER 35 HB2 SER 35 1.481 21.537 -11.595 244 HB3 SER 35 HB3 SER 35 2.868 20.750 -12.349 245 HG SER 35 HG SER 35 3.601 22.744 -12.250 Start of MODEL 13 1 H1 GLU 1 H GLU 1 0.541 0.467 0.141 2 HA GLU 1 HA GLU 1 3.068 0.189 -0.474 3 HB2 GLU 1 HB2 GLU 1 3.317 -0.831 -2.700 4 HB3 GLU 1 HB3 GLU 1 2.711 -1.980 -1.515 5 HG2 GLU 1 HG2 GLU 1 0.455 -1.706 -2.377 6 HG3 GLU 1 HG3 GLU 1 1.034 -0.517 -3.543 7 H CYS 2 H CYS 2 3.692 1.135 -2.846 8 HA CYS 2 HA CYS 2 2.405 3.700 -2.907 9 HB2 CYS 2 HB2 CYS 2 4.093 4.333 -4.475 10 HB3 CYS 2 HB3 CYS 2 4.871 3.313 -3.269 11 H ARG 3 H ARG 3 1.292 4.642 -4.645 12 HA ARG 3 HA ARG 3 -0.122 2.699 -6.317 13 HB2 ARG 3 HB2 ARG 3 -0.750 5.615 -5.824 14 HB3 ARG 3 HB3 ARG 3 -1.769 4.458 -6.670 15 HG2 ARG 3 HG2 ARG 3 -1.164 3.402 -4.103 16 HG3 ARG 3 HG3 ARG 3 -1.709 5.070 -3.912 17 HD2 ARG 3 HD2 ARG 3 -3.798 4.625 -4.719 18 HD3 ARG 3 HD3 ARG 3 -3.235 3.315 -5.756 19 HE ARG 3 HE ARG 3 -3.006 2.665 -2.989 20 HH11 ARG 3 HH11 ARG 3 -5.244 2.859 -5.648 21 HH12 ARG 3 HH12 ARG 3 -6.318 1.662 -5.002 22 HH21 ARG 3 HH21 ARG 3 -4.411 1.088 -2.128 23 HH22 ARG 3 HH22 ARG 3 -5.843 0.656 -2.999 24 H TYR 4 H TYR 4 -0.550 3.212 -8.567 25 HA TYR 4 HA TYR 4 1.766 4.517 -9.806 26 HB2 TYR 4 HB2 TYR 4 1.101 3.280 -11.847 27 HB3 TYR 4 HB3 TYR 4 1.412 2.212 -10.483 28 HD1 TYR 4 HD2 TYR 4 -0.413 1.005 -9.405 29 HD2 TYR 4 HD1 TYR 4 -1.133 3.536 -12.748 30 HE1 TYR 4 HE2 TYR 4 -2.630 -0.018 -9.694 31 HE2 TYR 4 HE1 TYR 4 -3.353 2.520 -13.046 32 HH TYR 4 HH TYR 4 -5.031 1.172 -11.131 33 H TRP 5 H TRP 5 0.910 5.152 -12.262 34 HA TRP 5 HA TRP 5 -0.254 7.634 -12.014 35 HB2 TRP 5 HB2 TRP 5 0.944 6.562 -14.035 36 HB3 TRP 5 HB3 TRP 5 -0.651 5.967 -14.488 37 HD1 TRP 5 HD1 TRP 5 0.372 9.485 -13.195 38 HE1 TRP 5 HE1 TRP 5 -0.463 11.223 -14.900 39 HE3 TRP 5 HE3 TRP 5 -1.574 6.314 -16.701 40 HZ2 TRP 5 HZ2 TRP 5 -1.775 11.247 -17.399 41 HZ3 TRP 5 HZ3 TRP 5 -2.602 7.275 -18.720 42 HH2 TRP 5 HH2 TRP 5 -2.700 9.691 -19.059 43 H LEU 6 H LEU 6 -2.277 8.429 -11.899 44 HA LEU 6 HA LEU 6 -4.525 8.494 -11.564 45 HB2 LEU 6 HB2 LEU 6 -4.723 6.136 -13.412 46 HB3 LEU 6 HB3 LEU 6 -5.897 7.425 -13.153 47 HG LEU 6 HG LEU 6 -3.298 7.574 -14.667 48 HD11 LEU 6 HD11 LEU 6 -6.162 8.038 -15.484 49 HD12 LEU 6 HD12 LEU 6 -5.190 6.622 -15.878 50 HD13 LEU 6 HD13 LEU 6 -4.747 8.202 -16.524 51 HD21 LEU 6 HD21 LEU 6 -4.146 9.971 -15.098 52 HD22 LEU 6 HD22 LEU 6 -3.309 9.628 -13.584 53 HD23 LEU 6 HD23 LEU 6 -5.069 9.746 -13.613 54 H GLY 7 H GLY 7 -2.811 6.649 -9.949 55 HA2 GLY 7 HA2 GLY 7 -4.357 4.331 -9.339 56 HA3 GLY 7 HA3 GLY 7 -3.037 4.981 -8.378 57 H GLY 8 H GLY 8 -4.046 7.523 -7.817 58 HA2 GLY 8 HA2 GLY 8 -5.960 8.572 -6.808 59 HA3 GLY 8 HA3 GLY 8 -6.573 6.974 -6.409 60 H CYS 9 H CYS 9 -4.168 9.406 -5.592 61 HA CYS 9 HA CYS 9 -3.232 8.010 -3.266 62 HB2 CYS 9 HB2 CYS 9 -1.935 10.011 -2.817 63 HB3 CYS 9 HB3 CYS 9 -1.815 9.609 -4.527 64 H SER 10 H SER 10 -3.127 9.823 -1.268 65 HA SER 10 HA SER 10 -5.719 10.970 -0.750 66 HB2 SER 10 HB2 SER 10 -5.411 8.291 -0.093 67 HB3 SER 10 HB3 SER 10 -5.102 9.127 1.428 68 HG SER 10 HG SER 10 -7.285 8.812 1.308 69 H ALA 11 H ALA 11 -5.633 11.264 1.952 70 HA ALA 11 HA ALA 11 -3.602 13.246 2.266 71 HB1 ALA 11 HB1 ALA 11 -5.258 13.997 3.556 72 HB2 ALA 11 HB2 ALA 11 -5.990 12.397 3.689 73 HB3 ALA 11 HB3 ALA 11 -4.677 12.859 4.773 74 H GLY 12 H GLY 12 -3.851 9.892 3.026 75 HA2 GLY 12 HA2 GLY 12 -1.302 10.079 4.510 76 HA3 GLY 12 HA3 GLY 12 -2.580 8.975 4.995 77 H GLN 13 H GLN 13 -2.073 9.455 1.621 78 HA GLN 13 HA GLN 13 -0.862 6.777 1.461 79 HB2 GLN 13 HB2 GLN 13 -2.957 8.146 -0.088 80 HB3 GLN 13 HB3 GLN 13 -1.776 7.279 -1.061 81 HG2 GLN 13 HG2 GLN 13 -2.220 5.267 0.363 82 HG3 GLN 13 HG3 GLN 13 -3.550 6.165 1.093 83 HE21 GLN 13 HE21 GLN 13 -2.377 5.847 -2.239 84 HE22 GLN 13 HE22 GLN 13 -3.885 5.325 -2.902 85 H THR 14 H THR 14 0.318 6.527 -0.778 86 HA THR 14 HA THR 14 1.916 8.914 -1.362 87 HB THR 14 HB THR 14 3.365 6.313 -1.157 88 HG1 THR 14 HG1 THR 14 2.287 6.502 0.855 89 HG21 THR 14 HG21 THR 14 4.998 8.208 -0.160 90 HG22 THR 14 HG22 THR 14 3.978 9.203 -1.199 91 HG23 THR 14 HG23 THR 14 4.872 7.844 -1.880 92 H CYS 15 H CYS 15 3.322 8.566 -3.320 93 HA CYS 15 HA CYS 15 1.976 6.780 -5.241 94 HB2 CYS 15 HB2 CYS 15 3.094 9.550 -5.719 95 HB3 CYS 15 HB3 CYS 15 2.493 8.483 -6.983 96 H CYS 16 H CYS 16 3.235 5.611 -6.628 97 HA CYS 16 HA CYS 16 5.795 4.871 -5.879 98 HB2 CYS 16 HB2 CYS 16 4.479 4.692 -8.596 99 HB3 CYS 16 HB3 CYS 16 5.971 3.865 -8.162 100 H LYS 17 H LYS 17 7.716 4.983 -7.513 101 HA LYS 17 HA LYS 17 8.674 7.619 -7.512 102 HB2 LYS 17 HB2 LYS 17 9.982 5.401 -7.595 103 HB3 LYS 17 HB3 LYS 17 9.731 5.469 -9.334 104 HG2 LYS 17 HG2 LYS 17 11.203 7.160 -9.621 105 HG3 LYS 17 HG3 LYS 17 10.827 7.900 -8.063 106 HD2 LYS 17 HD2 LYS 17 11.984 5.455 -7.417 107 HD3 LYS 17 HD3 LYS 17 12.942 6.054 -8.773 108 HE2 LYS 17 HE2 LYS 17 12.257 7.927 -6.560 109 HE3 LYS 17 HE3 LYS 17 13.513 6.720 -6.288 110 HZ1 LYS 17 HZ1 LYS 17 14.555 7.566 -8.393 111 HZ2 LYS 17 HZ2 LYS 17 14.586 8.640 -7.087 112 HZ3 LYS 17 HZ3 LYS 17 13.466 8.860 -8.336 113 H HIS 18 H HIS 18 9.273 8.962 -9.324 114 HA HIS 18 HA HIS 18 8.829 10.122 -11.230 115 HB2 HIS 18 HB2 HIS 18 8.510 7.296 -12.008 116 HB3 HIS 18 HB3 HIS 18 7.705 8.450 -13.067 117 HD1 HIS 18 HD1 HIS 18 9.159 8.857 -15.014 118 HD2 HIS 18 HD2 HIS 18 11.351 8.551 -11.498 119 HE1 HIS 18 HE1 HIS 18 11.550 9.276 -15.674 120 H LEU 19 H LEU 19 6.722 9.549 -9.126 121 HA LEU 19 HA LEU 19 4.493 10.667 -10.651 122 HB2 LEU 19 HB2 LEU 19 4.223 8.341 -8.752 123 HB3 LEU 19 HB3 LEU 19 2.888 9.202 -9.515 124 HG LEU 19 HG LEU 19 4.930 7.940 -11.273 125 HD11 LEU 19 HD11 LEU 19 3.499 6.481 -9.275 126 HD12 LEU 19 HD12 LEU 19 4.618 5.887 -10.501 127 HD13 LEU 19 HD13 LEU 19 2.900 6.036 -10.873 128 HD21 LEU 19 HD21 LEU 19 3.239 9.175 -12.371 129 HD22 LEU 19 HD22 LEU 19 1.968 8.457 -11.380 130 HD23 LEU 19 HD23 LEU 19 2.817 7.474 -12.575 131 H VAL 20 H VAL 20 2.879 11.715 -9.288 132 HA VAL 20 HA VAL 20 3.752 12.321 -6.560 133 HB VAL 20 HB VAL 20 3.290 14.752 -6.947 134 HG11 VAL 20 HG11 VAL 20 5.578 13.289 -8.179 135 HG12 VAL 20 HG12 VAL 20 5.466 15.039 -8.382 136 HG13 VAL 20 HG13 VAL 20 5.543 14.341 -6.764 137 HG21 VAL 20 HG21 VAL 20 3.513 15.511 -9.342 138 HG22 VAL 20 HG22 VAL 20 3.229 13.836 -9.815 139 HG23 VAL 20 HG23 VAL 20 1.989 14.725 -8.931 140 H CYS 21 H CYS 21 2.110 12.805 -5.147 141 HA CYS 21 HA CYS 21 -0.500 11.931 -5.848 142 HB2 CYS 21 HB2 CYS 21 0.267 11.586 -3.599 143 HB3 CYS 21 HB3 CYS 21 0.580 13.305 -3.383 144 H SER 22 H SER 22 -1.426 13.182 -7.418 145 HA SER 22 HA SER 22 -1.433 16.043 -7.309 146 HB2 SER 22 HB2 SER 22 -1.638 14.500 -9.387 147 HB3 SER 22 HB3 SER 22 -3.348 14.418 -8.965 148 HG SER 22 HG SER 22 -1.919 16.460 -10.091 149 H ARG 23 H ARG 23 -2.444 16.915 -5.587 150 HA ARG 23 HA ARG 23 -4.814 15.856 -4.428 151 HB2 ARG 23 HB2 ARG 23 -3.822 18.685 -4.115 152 HB3 ARG 23 HB3 ARG 23 -4.767 17.736 -2.976 153 HG2 ARG 23 HG2 ARG 23 -2.837 17.314 -1.958 154 HG3 ARG 23 HG3 ARG 23 -2.497 16.223 -3.302 155 HD2 ARG 23 HD2 ARG 23 -1.705 18.517 -4.414 156 HD3 ARG 23 HD3 ARG 23 -1.429 18.925 -2.721 157 HE ARG 23 HE ARG 23 0.081 17.091 -4.326 158 HH11 ARG 23 HH11 ARG 23 -0.896 17.895 -1.083 159 HH12 ARG 23 HH12 ARG 23 0.467 17.124 -0.341 160 HH21 ARG 23 HH21 ARG 23 1.880 16.073 -3.362 161 HH22 ARG 23 HH22 ARG 23 2.046 16.089 -1.638 162 H ARG 24 H ARG 24 -4.209 17.890 -7.113 163 HA ARG 24 HA ARG 24 -6.829 19.127 -7.094 164 HB2 ARG 24 HB2 ARG 24 -4.485 19.234 -8.982 165 HB3 ARG 24 HB3 ARG 24 -6.034 19.959 -9.388 166 HG2 ARG 24 HG2 ARG 24 -5.566 20.974 -6.896 167 HG3 ARG 24 HG3 ARG 24 -3.942 20.887 -7.580 168 HD2 ARG 24 HD2 ARG 24 -5.584 21.892 -9.617 169 HD3 ARG 24 HD3 ARG 24 -6.067 22.738 -8.148 170 HE ARG 24 HE ARG 24 -4.033 23.805 -8.122 171 HH11 ARG 24 HH11 ARG 24 -3.951 21.185 -10.414 172 HH12 ARG 24 HH12 ARG 24 -2.427 21.654 -11.093 173 HH21 ARG 24 HH21 ARG 24 -2.026 24.432 -9.008 174 HH22 ARG 24 HH22 ARG 24 -1.333 23.501 -10.292 175 H HIS 25 H HIS 25 -5.087 16.707 -9.017 176 HA HIS 25 HA HIS 25 -7.359 16.154 -10.686 177 HB2 HIS 25 HB2 HIS 25 -4.608 15.007 -10.389 178 HB3 HIS 25 HB3 HIS 25 -5.829 14.105 -11.282 179 HD1 HIS 25 HD1 HIS 25 -6.523 15.004 -13.578 180 HD2 HIS 25 HD2 HIS 25 -3.744 17.394 -11.621 181 HE1 HIS 25 HE1 HIS 25 -5.705 16.638 -15.306 182 H GLY 26 H GLY 26 -6.013 14.877 -7.734 183 HA2 GLY 26 HA2 GLY 26 -7.200 13.603 -6.161 184 HA3 GLY 26 HA3 GLY 26 -8.389 13.223 -7.398 185 H TRP 27 H TRP 27 -5.139 12.820 -8.354 186 HA TRP 27 HA TRP 27 -4.855 10.109 -7.445 187 HB2 TRP 27 HB2 TRP 27 -4.868 9.083 -9.689 188 HB3 TRP 27 HB3 TRP 27 -6.442 9.747 -9.262 189 HD1 TRP 27 HD1 TRP 27 -3.313 11.122 -11.132 190 HE1 TRP 27 HE1 TRP 27 -4.142 12.397 -13.208 191 HE3 TRP 27 HE3 TRP 27 -8.349 10.493 -10.514 192 HZ2 TRP 27 HZ2 TRP 27 -6.605 13.050 -14.423 193 HZ3 TRP 27 HZ3 TRP 27 -9.873 11.475 -12.178 194 HH2 TRP 27 HH2 TRP 27 -9.017 12.727 -14.091 195 H CYS 28 H CYS 28 -2.852 9.098 -8.309 196 HA CYS 28 HA CYS 28 -0.691 10.915 -8.164 197 HB2 CYS 28 HB2 CYS 28 -0.689 8.034 -9.090 198 HB3 CYS 28 HB3 CYS 28 0.726 8.962 -8.604 199 H VAL 29 H VAL 29 0.283 12.070 -9.691 200 HA VAL 29 HA VAL 29 -0.262 11.396 -12.509 201 HB VAL 29 HB VAL 29 0.168 13.803 -12.998 202 HG11 VAL 29 HG11 VAL 29 -2.008 14.476 -11.511 203 HG12 VAL 29 HG12 VAL 29 -2.068 13.600 -13.041 204 HG13 VAL 29 HG13 VAL 29 -2.117 12.716 -11.515 205 HG21 VAL 29 HG21 VAL 29 0.208 13.992 -9.992 206 HG22 VAL 29 HG22 VAL 29 1.485 14.456 -11.117 207 HG23 VAL 29 HG23 VAL 29 -0.016 15.379 -11.058 208 H TRP 30 H TRP 30 1.444 12.045 -14.047 209 HA TRP 30 HA TRP 30 3.923 10.934 -13.371 210 HB2 TRP 30 HB2 TRP 30 3.121 12.736 -15.661 211 HB3 TRP 30 HB3 TRP 30 4.702 11.970 -15.537 212 HD1 TRP 30 HD1 TRP 30 1.732 11.465 -17.382 213 HE1 TRP 30 HE1 TRP 30 1.311 8.992 -17.960 214 HE3 TRP 30 HE3 TRP 30 4.919 9.294 -14.026 215 HZ2 TRP 30 HZ2 TRP 30 2.211 6.457 -17.105 216 HZ3 TRP 30 HZ3 TRP 30 5.080 6.839 -13.970 217 HH2 TRP 30 HH2 TRP 30 3.752 5.452 -15.478 218 H ASP 31 H ASP 31 5.603 11.719 -12.294 219 HA ASP 31 HA ASP 31 5.619 14.478 -11.445 220 HB2 ASP 31 HB2 ASP 31 6.253 12.599 -9.930 221 HB3 ASP 31 HB3 ASP 31 7.677 12.323 -10.930 222 H GLY 32 H GLY 32 6.625 16.092 -12.442 223 HA2 GLY 32 HA2 GLY 32 8.739 16.933 -13.350 224 HA3 GLY 32 HA3 GLY 32 8.866 15.428 -14.249 225 H THR 33 H THR 33 5.866 15.661 -14.761 226 HA THR 33 HA THR 33 6.046 17.677 -16.905 227 HB THR 33 HB THR 33 6.091 15.391 -17.817 228 HG1 THR 33 HG1 THR 33 3.533 16.460 -18.388 229 HG21 THR 33 HG21 THR 33 4.694 14.455 -15.889 230 HG22 THR 33 HG22 THR 33 4.356 13.831 -17.504 231 HG23 THR 33 HG23 THR 33 3.290 15.036 -16.783 232 H PHE 34 H PHE 34 4.059 16.155 -14.459 233 HA PHE 34 HA PHE 34 1.569 17.203 -15.013 234 HB2 PHE 34 HB2 PHE 34 1.009 16.817 -12.737 235 HB3 PHE 34 HB3 PHE 34 2.209 15.597 -13.151 236 HD1 PHE 34 HD2 PHE 34 4.691 16.261 -12.621 237 HD2 PHE 34 HD1 PHE 34 1.272 18.025 -10.801 238 HE1 PHE 34 HE2 PHE 34 6.078 16.981 -10.720 239 HE2 PHE 34 HE1 PHE 34 2.653 18.749 -8.898 240 HZ PHE 34 HZ PHE 34 5.060 18.226 -8.855 241 H SER 35 H SER 35 0.434 18.957 -13.749 242 HA SER 35 HA SER 35 2.067 21.388 -13.889 243 HB2 SER 35 HB2 SER 35 -0.070 22.593 -14.026 244 HB3 SER 35 HB3 SER 35 0.025 21.341 -15.263 245 HG SER 35 HG SER 35 -1.983 21.546 -13.910 Start of MODEL 14 1 H1 GLU 1 H GLU 1 0.617 -0.991 -0.073 2 HA GLU 1 HA GLU 1 3.178 -0.204 -0.945 3 HB2 GLU 1 HB2 GLU 1 1.180 -2.024 -1.774 4 HB3 GLU 1 HB3 GLU 1 1.534 -1.003 -3.161 5 HG2 GLU 1 HG2 GLU 1 3.863 -2.046 -1.685 6 HG3 GLU 1 HG3 GLU 1 2.898 -3.228 -2.567 7 H CYS 2 H CYS 2 3.640 0.914 -3.017 8 HA CYS 2 HA CYS 2 2.373 3.490 -3.027 9 HB2 CYS 2 HB2 CYS 2 4.056 4.135 -4.596 10 HB3 CYS 2 HB3 CYS 2 4.833 3.091 -3.410 11 H ARG 3 H ARG 3 1.258 4.470 -4.742 12 HA ARG 3 HA ARG 3 -0.184 2.567 -6.435 13 HB2 ARG 3 HB2 ARG 3 -0.782 5.482 -5.901 14 HB3 ARG 3 HB3 ARG 3 -1.819 4.343 -6.748 15 HG2 ARG 3 HG2 ARG 3 -1.200 3.253 -4.199 16 HG3 ARG 3 HG3 ARG 3 -1.724 4.925 -3.983 17 HD2 ARG 3 HD2 ARG 3 -3.783 4.514 -5.084 18 HD3 ARG 3 HD3 ARG 3 -3.233 2.945 -5.671 19 HE ARG 3 HE ARG 3 -3.224 3.055 -2.829 20 HH11 ARG 3 HH11 ARG 3 -5.310 2.691 -5.593 21 HH12 ARG 3 HH12 ARG 3 -6.512 1.789 -4.731 22 HH21 ARG 3 HH21 ARG 3 -4.800 1.870 -1.683 23 HH22 ARG 3 HH22 ARG 3 -6.221 1.324 -2.506 24 H TYR 4 H TYR 4 -0.618 3.114 -8.675 25 HA TYR 4 HA TYR 4 1.703 4.414 -9.909 26 HB2 TYR 4 HB2 TYR 4 1.004 3.219 -11.966 27 HB3 TYR 4 HB3 TYR 4 1.317 2.126 -10.622 28 HD1 TYR 4 HD2 TYR 4 -0.507 0.915 -9.552 29 HD2 TYR 4 HD1 TYR 4 -1.239 3.521 -12.835 30 HE1 TYR 4 HE2 TYR 4 -2.739 -0.079 -9.836 31 HE2 TYR 4 HE1 TYR 4 -3.473 2.535 -13.127 32 HH TYR 4 HH TYR 4 -4.745 0.161 -10.852 33 H TRP 5 H TRP 5 0.841 5.101 -12.347 34 HA TRP 5 HA TRP 5 -0.289 7.593 -12.050 35 HB2 TRP 5 HB2 TRP 5 0.881 6.542 -14.097 36 HB3 TRP 5 HB3 TRP 5 -0.723 5.971 -14.548 37 HD1 TRP 5 HD1 TRP 5 0.355 9.457 -13.213 38 HE1 TRP 5 HE1 TRP 5 -0.477 11.231 -14.882 39 HE3 TRP 5 HE3 TRP 5 -1.671 6.363 -16.743 40 HZ2 TRP 5 HZ2 TRP 5 -1.815 11.308 -17.366 41 HZ3 TRP 5 HZ3 TRP 5 -2.708 7.367 -18.735 42 HH2 TRP 5 HH2 TRP 5 -2.778 9.788 -19.038 43 H LEU 6 H LEU 6 -2.301 8.416 -11.919 44 HA LEU 6 HA LEU 6 -4.546 8.504 -11.566 45 HB2 LEU 6 HB2 LEU 6 -4.788 6.175 -13.444 46 HB3 LEU 6 HB3 LEU 6 -5.942 7.476 -13.160 47 HG LEU 6 HG LEU 6 -3.352 7.610 -14.691 48 HD11 LEU 6 HD11 LEU 6 -6.216 8.127 -15.478 49 HD12 LEU 6 HD12 LEU 6 -5.265 6.704 -15.902 50 HD13 LEU 6 HD13 LEU 6 -4.806 8.288 -16.527 51 HD21 LEU 6 HD21 LEU 6 -5.176 9.848 -13.822 52 HD22 LEU 6 HD22 LEU 6 -3.917 10.000 -15.048 53 HD23 LEU 6 HD23 LEU 6 -3.484 9.621 -13.380 54 H GLY 7 H GLY 7 -2.845 6.614 -9.989 55 HA2 GLY 7 HA2 GLY 7 -4.420 4.309 -9.400 56 HA3 GLY 7 HA3 GLY 7 -3.084 4.927 -8.440 57 H GLY 8 H GLY 8 -4.171 7.532 -7.975 58 HA2 GLY 8 HA2 GLY 8 -6.031 8.566 -6.901 59 HA3 GLY 8 HA3 GLY 8 -6.648 6.970 -6.500 60 H CYS 9 H CYS 9 -4.227 9.392 -5.697 61 HA CYS 9 HA CYS 9 -3.314 7.983 -3.360 62 HB2 CYS 9 HB2 CYS 9 -1.900 9.883 -2.971 63 HB3 CYS 9 HB3 CYS 9 -1.880 9.546 -4.699 64 H SER 10 H SER 10 -3.141 9.791 -1.380 65 HA SER 10 HA SER 10 -5.676 11.066 -0.879 66 HB2 SER 10 HB2 SER 10 -5.778 8.467 -0.325 67 HB3 SER 10 HB3 SER 10 -4.987 8.997 1.159 68 HG SER 10 HG SER 10 -7.508 9.023 0.756 69 H ALA 11 H ALA 11 -5.587 11.369 1.822 70 HA ALA 11 HA ALA 11 -3.458 13.248 2.135 71 HB1 ALA 11 HB1 ALA 11 -5.546 12.259 4.070 72 HB2 ALA 11 HB2 ALA 11 -4.411 13.566 4.409 73 HB3 ALA 11 HB3 ALA 11 -5.593 13.739 3.112 74 H GLY 12 H GLY 12 -3.879 9.916 2.903 75 HA2 GLY 12 HA2 GLY 12 -1.349 9.984 4.428 76 HA3 GLY 12 HA3 GLY 12 -2.681 8.930 4.878 77 H GLN 13 H GLN 13 -2.111 9.404 1.518 78 HA GLN 13 HA GLN 13 -0.991 6.687 1.361 79 HB2 GLN 13 HB2 GLN 13 -3.024 8.129 -0.198 80 HB3 GLN 13 HB3 GLN 13 -1.857 7.244 -1.172 81 HG2 GLN 13 HG2 GLN 13 -2.368 5.231 0.247 82 HG3 GLN 13 HG3 GLN 13 -3.702 6.157 0.933 83 HE21 GLN 13 HE21 GLN 13 -2.422 5.804 -2.356 84 HE22 GLN 13 HE22 GLN 13 -3.918 5.319 -3.071 85 H THR 14 H THR 14 0.204 6.407 -0.868 86 HA THR 14 HA THR 14 1.902 8.737 -1.408 87 HB THR 14 HB THR 14 3.245 6.079 -1.239 88 HG1 THR 14 HG1 THR 14 3.328 6.101 0.916 89 HG21 THR 14 HG21 THR 14 4.825 7.564 -1.896 90 HG22 THR 14 HG22 THR 14 4.925 7.899 -0.168 91 HG23 THR 14 HG23 THR 14 3.963 8.943 -1.214 92 H CYS 15 H CYS 15 3.322 8.344 -3.356 93 HA CYS 15 HA CYS 15 1.938 6.626 -5.310 94 HB2 CYS 15 HB2 CYS 15 3.092 9.387 -5.755 95 HB3 CYS 15 HB3 CYS 15 2.466 8.344 -7.028 96 H CYS 16 H CYS 16 3.188 5.472 -6.723 97 HA CYS 16 HA CYS 16 5.735 4.685 -5.978 98 HB2 CYS 16 HB2 CYS 16 4.417 4.577 -8.697 99 HB3 CYS 16 HB3 CYS 16 5.910 3.736 -8.290 100 H LYS 17 H LYS 17 7.666 4.808 -7.597 101 HA LYS 17 HA LYS 17 8.654 7.432 -7.539 102 HB2 LYS 17 HB2 LYS 17 9.952 5.224 -7.640 103 HB3 LYS 17 HB3 LYS 17 9.689 5.282 -9.378 104 HG2 LYS 17 HG2 LYS 17 11.070 7.101 -9.664 105 HG3 LYS 17 HG3 LYS 17 10.885 7.638 -7.993 106 HD2 LYS 17 HD2 LYS 17 12.250 5.799 -7.213 107 HD3 LYS 17 HD3 LYS 17 12.357 5.146 -8.850 108 HE2 LYS 17 HE2 LYS 17 14.278 6.296 -8.963 109 HE3 LYS 17 HE3 LYS 17 13.239 7.698 -9.215 110 HZ1 LYS 17 HZ1 LYS 17 13.511 7.159 -6.450 111 HZ2 LYS 17 HZ2 LYS 17 13.920 8.559 -7.307 112 HZ3 LYS 17 HZ3 LYS 17 15.041 7.300 -7.159 113 H HIS 18 H HIS 18 9.284 8.801 -9.323 114 HA HIS 18 HA HIS 18 8.866 10.001 -11.210 115 HB2 HIS 18 HB2 HIS 18 8.516 7.195 -12.041 116 HB3 HIS 18 HB3 HIS 18 7.733 8.379 -13.084 117 HD1 HIS 18 HD1 HIS 18 9.213 8.740 -15.025 118 HD2 HIS 18 HD2 HIS 18 11.362 8.465 -11.480 119 HE1 HIS 18 HE1 HIS 18 11.611 9.155 -15.658 120 H LEU 19 H LEU 19 6.737 9.414 -9.129 121 HA LEU 19 HA LEU 19 4.532 10.588 -10.647 122 HB2 LEU 19 HB2 LEU 19 4.224 8.232 -8.792 123 HB3 LEU 19 HB3 LEU 19 2.903 9.123 -9.544 124 HG LEU 19 HG LEU 19 4.936 7.870 -11.318 125 HD11 LEU 19 HD11 LEU 19 3.233 6.405 -9.439 126 HD12 LEU 19 HD12 LEU 19 4.655 5.876 -10.337 127 HD13 LEU 19 HD13 LEU 19 3.075 5.898 -11.121 128 HD21 LEU 19 HD21 LEU 19 2.859 7.474 -12.662 129 HD22 LEU 19 HD22 LEU 19 3.238 9.171 -12.364 130 HD23 LEU 19 HD23 LEU 19 1.969 8.373 -11.433 131 H VAL 20 H VAL 20 2.944 11.661 -9.293 132 HA VAL 20 HA VAL 20 3.813 12.208 -6.547 133 HB VAL 20 HB VAL 20 3.353 14.645 -6.903 134 HG11 VAL 20 HG11 VAL 20 5.555 14.922 -7.110 135 HG12 VAL 20 HG12 VAL 20 5.655 13.179 -7.366 136 HG13 VAL 20 HG13 VAL 20 5.558 14.270 -8.749 137 HG21 VAL 20 HG21 VAL 20 2.048 14.643 -8.884 138 HG22 VAL 20 HG22 VAL 20 3.570 15.436 -9.288 139 HG23 VAL 20 HG23 VAL 20 3.288 13.767 -9.782 140 H CYS 21 H CYS 21 2.177 12.706 -5.124 141 HA CYS 21 HA CYS 21 -0.439 11.838 -5.828 142 HB2 CYS 21 HB2 CYS 21 0.334 11.458 -3.587 143 HB3 CYS 21 HB3 CYS 21 0.654 13.173 -3.348 144 H SER 22 H SER 22 -1.367 13.115 -7.376 145 HA SER 22 HA SER 22 -1.359 15.972 -7.234 146 HB2 SER 22 HB2 SER 22 -1.595 14.453 -9.326 147 HB3 SER 22 HB3 SER 22 -3.301 14.377 -8.887 148 HG SER 22 HG SER 22 -1.773 16.680 -9.516 149 H ARG 23 H ARG 23 -2.351 16.846 -5.505 150 HA ARG 23 HA ARG 23 -4.709 15.789 -4.321 151 HB2 ARG 23 HB2 ARG 23 -3.652 18.600 -4.022 152 HB3 ARG 23 HB3 ARG 23 -4.663 17.710 -2.892 153 HG2 ARG 23 HG2 ARG 23 -2.855 16.994 -1.845 154 HG3 ARG 23 HG3 ARG 23 -2.318 16.187 -3.320 155 HD2 ARG 23 HD2 ARG 23 -0.931 17.912 -3.922 156 HD3 ARG 23 HD3 ARG 23 -1.885 19.120 -3.061 157 HE ARG 23 HE ARG 23 -0.726 17.347 -1.209 158 HH11 ARG 23 HH11 ARG 23 0.145 19.900 -3.411 159 HH12 ARG 23 HH12 ARG 23 1.524 20.401 -2.489 160 HH21 ARG 23 HH21 ARG 23 1.087 17.998 0.012 161 HH22 ARG 23 HH22 ARG 23 2.060 19.318 -0.543 162 H ARG 24 H ARG 24 -4.123 17.871 -6.985 163 HA ARG 24 HA ARG 24 -6.745 19.095 -6.937 164 HB2 ARG 24 HB2 ARG 24 -4.390 19.234 -8.800 165 HB3 ARG 24 HB3 ARG 24 -5.949 19.902 -9.265 166 HG2 ARG 24 HG2 ARG 24 -5.307 20.830 -6.652 167 HG3 ARG 24 HG3 ARG 24 -3.922 21.098 -7.712 168 HD2 ARG 24 HD2 ARG 24 -6.736 21.889 -8.431 169 HD3 ARG 24 HD3 ARG 24 -5.607 22.970 -7.615 170 HE ARG 24 HE ARG 24 -4.559 21.843 -10.038 171 HH11 ARG 24 HH11 ARG 24 -6.487 24.406 -8.683 172 HH12 ARG 24 HH12 ARG 24 -6.211 25.489 -10.006 173 HH21 ARG 24 HH21 ARG 24 -4.189 23.260 -11.786 174 HH22 ARG 24 HH22 ARG 24 -4.905 24.837 -11.771 175 H HIS 25 H HIS 25 -5.018 16.715 -8.929 176 HA HIS 25 HA HIS 25 -7.304 16.170 -10.573 177 HB2 HIS 25 HB2 HIS 25 -4.557 15.009 -10.298 178 HB3 HIS 25 HB3 HIS 25 -5.786 14.118 -11.190 179 HD1 HIS 25 HD1 HIS 25 -6.522 15.067 -13.463 180 HD2 HIS 25 HD2 HIS 25 -3.654 17.369 -11.530 181 HE1 HIS 25 HE1 HIS 25 -5.697 16.701 -15.188 182 H GLY 26 H GLY 26 -5.936 14.851 -7.645 183 HA2 GLY 26 HA2 GLY 26 -7.116 13.571 -6.072 184 HA3 GLY 26 HA3 GLY 26 -8.324 13.218 -7.298 185 H TRP 27 H TRP 27 -5.088 12.793 -8.294 186 HA TRP 27 HA TRP 27 -4.825 10.067 -7.425 187 HB2 TRP 27 HB2 TRP 27 -4.870 9.072 -9.682 188 HB3 TRP 27 HB3 TRP 27 -6.433 9.749 -9.232 189 HD1 TRP 27 HD1 TRP 27 -3.305 11.113 -11.110 190 HE1 TRP 27 HE1 TRP 27 -4.137 12.424 -13.163 191 HE3 TRP 27 HE3 TRP 27 -8.342 10.531 -10.458 192 HZ2 TRP 27 HZ2 TRP 27 -6.602 13.120 -14.348 193 HZ3 TRP 27 HZ3 TRP 27 -9.869 11.552 -12.096 194 HH2 TRP 27 HH2 TRP 27 -9.015 12.819 -14.000 195 H CYS 28 H CYS 28 -2.840 9.049 -8.310 196 HA CYS 28 HA CYS 28 -0.658 10.837 -8.162 197 HB2 CYS 28 HB2 CYS 28 -0.686 7.976 -9.147 198 HB3 CYS 28 HB3 CYS 28 0.735 8.880 -8.634 199 H VAL 29 H VAL 29 0.314 12.008 -9.678 200 HA VAL 29 HA VAL 29 -0.263 11.388 -12.502 201 HB VAL 29 HB VAL 29 0.193 13.800 -12.951 202 HG11 VAL 29 HG11 VAL 29 -2.093 12.752 -11.407 203 HG12 VAL 29 HG12 VAL 29 -1.968 14.509 -11.517 204 HG13 VAL 29 HG13 VAL 29 -2.051 13.536 -12.986 205 HG21 VAL 29 HG21 VAL 29 0.244 13.936 -9.941 206 HG22 VAL 29 HG22 VAL 29 1.525 14.401 -11.061 207 HG23 VAL 29 HG23 VAL 29 0.036 15.343 -10.984 208 H TRP 30 H TRP 30 1.434 12.016 -14.046 209 HA TRP 30 HA TRP 30 3.910 10.884 -13.396 210 HB2 TRP 30 HB2 TRP 30 3.069 12.675 -15.677 211 HB3 TRP 30 HB3 TRP 30 4.672 11.954 -15.568 212 HD1 TRP 30 HD1 TRP 30 1.705 11.363 -17.388 213 HE1 TRP 30 HE1 TRP 30 1.345 8.879 -17.957 214 HE3 TRP 30 HE3 TRP 30 4.972 9.286 -14.049 215 HZ2 TRP 30 HZ2 TRP 30 2.317 6.371 -17.102 216 HZ3 TRP 30 HZ3 TRP 30 5.197 6.837 -13.989 217 HH2 TRP 30 HH2 TRP 30 3.896 5.411 -15.484 218 H ASP 31 H ASP 31 5.431 11.663 -12.107 219 HA ASP 31 HA ASP 31 5.523 14.385 -11.283 220 HB2 ASP 31 HB2 ASP 31 6.244 12.552 -9.815 221 HB3 ASP 31 HB3 ASP 31 7.567 12.184 -10.918 222 H GLY 32 H GLY 32 6.365 16.043 -12.349 223 HA2 GLY 32 HA2 GLY 32 8.379 17.043 -13.293 224 HA3 GLY 32 HA3 GLY 32 8.653 15.531 -14.144 225 H THR 33 H THR 33 5.608 15.534 -14.631 226 HA THR 33 HA THR 33 5.711 17.339 -16.958 227 HB THR 33 HB THR 33 4.307 15.847 -18.166 228 HG1 THR 33 HG1 THR 33 3.018 14.453 -17.203 229 HG21 THR 33 HG21 THR 33 5.723 14.039 -18.466 230 HG22 THR 33 HG22 THR 33 6.064 13.887 -16.742 231 HG23 THR 33 HG23 THR 33 6.786 15.200 -17.672 232 H PHE 34 H PHE 34 3.711 16.138 -14.321 233 HA PHE 34 HA PHE 34 1.293 17.335 -14.895 234 HB2 PHE 34 HB2 PHE 34 0.760 17.137 -12.583 235 HB3 PHE 34 HB3 PHE 34 1.833 15.793 -12.959 236 HD1 PHE 34 HD2 PHE 34 4.357 16.187 -12.482 237 HD2 PHE 34 HD1 PHE 34 1.210 18.483 -10.767 238 HE1 PHE 34 HE2 PHE 34 5.858 16.876 -10.659 239 HE2 PHE 34 HE1 PHE 34 2.706 19.176 -8.941 240 HZ PHE 34 HZ PHE 34 5.033 18.372 -8.884 241 H SER 35 H SER 35 0.315 19.242 -13.741 242 HA SER 35 HA SER 35 0.196 21.489 -13.408 243 HB2 SER 35 HB2 SER 35 1.904 20.845 -11.607 244 HB3 SER 35 HB3 SER 35 3.132 21.452 -12.718 245 HG SER 35 HG SER 35 2.646 23.229 -11.624 Start of MODEL 15 1 H1 GLU 1 H GLU 1 0.549 0.693 0.253 2 HA GLU 1 HA GLU 1 3.148 0.039 -0.733 3 HB2 GLU 1 HB2 GLU 1 0.952 -1.657 -1.493 4 HB3 GLU 1 HB3 GLU 1 1.554 -0.797 -2.903 5 HG2 GLU 1 HG2 GLU 1 3.570 -2.033 -1.132 6 HG3 GLU 1 HG3 GLU 1 2.556 -3.121 -2.079 7 H CYS 2 H CYS 2 3.611 1.104 -2.802 8 HA CYS 2 HA CYS 2 2.366 3.688 -2.903 9 HB2 CYS 2 HB2 CYS 2 4.057 4.264 -4.490 10 HB3 CYS 2 HB3 CYS 2 4.823 3.256 -3.267 11 H ARG 3 H ARG 3 1.260 4.617 -4.651 12 HA ARG 3 HA ARG 3 -0.195 2.669 -6.280 13 HB2 ARG 3 HB2 ARG 3 -0.767 5.606 -5.850 14 HB3 ARG 3 HB3 ARG 3 -1.814 4.447 -6.658 15 HG2 ARG 3 HG2 ARG 3 -1.206 3.444 -4.070 16 HG3 ARG 3 HG3 ARG 3 -1.721 5.125 -3.917 17 HD2 ARG 3 HD2 ARG 3 -3.587 3.491 -3.787 18 HD3 ARG 3 HD3 ARG 3 -3.763 4.669 -5.087 19 HE ARG 3 HE ARG 3 -2.495 2.347 -6.064 20 HH11 ARG 3 HH11 ARG 3 -5.598 3.496 -4.984 21 HH12 ARG 3 HH12 ARG 3 -6.496 2.383 -5.961 22 HH21 ARG 3 HH21 ARG 3 -3.666 0.876 -7.355 23 HH22 ARG 3 HH22 ARG 3 -5.396 0.892 -7.308 24 H TYR 4 H TYR 4 -0.623 3.144 -8.539 25 HA TYR 4 HA TYR 4 1.711 4.378 -9.813 26 HB2 TYR 4 HB2 TYR 4 1.012 3.116 -11.827 27 HB3 TYR 4 HB3 TYR 4 1.305 2.068 -10.443 28 HD1 TYR 4 HD2 TYR 4 -0.542 0.923 -9.335 29 HD2 TYR 4 HD1 TYR 4 -1.219 3.404 -12.726 30 HE1 TYR 4 HE2 TYR 4 -2.783 -0.056 -9.597 31 HE2 TYR 4 HE1 TYR 4 -3.462 2.432 -12.997 32 HH TYR 4 HH TYR 4 -4.852 0.796 -12.334 33 H TRP 5 H TRP 5 0.853 4.980 -12.279 34 HA TRP 5 HA TRP 5 -0.252 7.492 -12.076 35 HB2 TRP 5 HB2 TRP 5 0.902 6.351 -14.083 36 HB3 TRP 5 HB3 TRP 5 -0.709 5.781 -14.509 37 HD1 TRP 5 HD1 TRP 5 0.406 9.303 -13.306 38 HE1 TRP 5 HE1 TRP 5 -0.409 11.021 -15.041 39 HE3 TRP 5 HE3 TRP 5 -1.651 6.099 -16.718 40 HZ2 TRP 5 HZ2 TRP 5 -1.747 11.018 -17.527 41 HZ3 TRP 5 HZ3 TRP 5 -2.678 7.037 -18.747 42 HH2 TRP 5 HH2 TRP 5 -2.725 9.446 -19.141 43 H LEU 6 H LEU 6 -2.256 8.339 -11.970 44 HA LEU 6 HA LEU 6 -4.498 8.462 -11.611 45 HB2 LEU 6 HB2 LEU 6 -4.774 6.076 -13.411 46 HB3 LEU 6 HB3 LEU 6 -5.908 7.403 -13.170 47 HG LEU 6 HG LEU 6 -3.320 7.442 -14.710 48 HD11 LEU 6 HD11 LEU 6 -4.772 8.093 -16.560 49 HD12 LEU 6 HD12 LEU 6 -6.178 7.982 -15.502 50 HD13 LEU 6 HD13 LEU 6 -5.250 6.534 -15.888 51 HD21 LEU 6 HD21 LEU 6 -3.309 9.506 -13.578 52 HD22 LEU 6 HD22 LEU 6 -5.050 9.712 -13.766 53 HD23 LEU 6 HD23 LEU 6 -3.989 9.849 -15.169 54 H GLY 7 H GLY 7 -2.815 6.607 -9.976 55 HA2 GLY 7 HA2 GLY 7 -4.407 4.336 -9.312 56 HA3 GLY 7 HA3 GLY 7 -3.068 4.976 -8.370 57 H GLY 8 H GLY 8 -4.123 7.597 -7.978 58 HA2 GLY 8 HA2 GLY 8 -5.987 8.679 -6.948 59 HA3 GLY 8 HA3 GLY 8 -6.608 7.100 -6.490 60 H CYS 9 H CYS 9 -4.178 9.540 -5.776 61 HA CYS 9 HA CYS 9 -3.271 8.210 -3.390 62 HB2 CYS 9 HB2 CYS 9 -1.832 10.100 -3.078 63 HB3 CYS 9 HB3 CYS 9 -1.835 9.719 -4.798 64 H SER 10 H SER 10 -3.085 10.075 -1.472 65 HA SER 10 HA SER 10 -5.603 11.401 -1.020 66 HB2 SER 10 HB2 SER 10 -5.418 8.725 -0.230 67 HB3 SER 10 HB3 SER 10 -5.158 9.648 1.250 68 HG SER 10 HG SER 10 -7.411 9.143 0.651 69 H ALA 11 H ALA 11 -5.516 11.791 1.669 70 HA ALA 11 HA ALA 11 -3.364 13.650 1.927 71 HB1 ALA 11 HB1 ALA 11 -5.381 14.314 2.922 72 HB2 ALA 11 HB2 ALA 11 -5.572 12.776 3.765 73 HB3 ALA 11 HB3 ALA 11 -4.323 13.912 4.275 74 H GLY 12 H GLY 12 -3.831 10.351 2.805 75 HA2 GLY 12 HA2 GLY 12 -1.302 10.436 4.332 76 HA3 GLY 12 HA3 GLY 12 -2.648 9.411 4.808 77 H GLN 13 H GLN 13 -2.063 9.776 1.438 78 HA GLN 13 HA GLN 13 -0.967 7.046 1.368 79 HB2 GLN 13 HB2 GLN 13 -2.989 8.453 -0.238 80 HB3 GLN 13 HB3 GLN 13 -1.831 7.525 -1.181 81 HG2 GLN 13 HG2 GLN 13 -2.360 5.566 0.306 82 HG3 GLN 13 HG3 GLN 13 -3.685 6.527 0.961 83 HE21 GLN 13 HE21 GLN 13 -2.411 6.049 -2.315 84 HE22 GLN 13 HE22 GLN 13 -3.912 5.554 -3.012 85 H THR 14 H THR 14 0.234 6.679 -0.839 86 HA THR 14 HA THR 14 1.944 8.981 -1.461 87 HB THR 14 HB THR 14 3.270 6.322 -1.206 88 HG1 THR 14 HG1 THR 14 3.037 8.038 1.038 89 HG21 THR 14 HG21 THR 14 4.006 9.180 -1.272 90 HG22 THR 14 HG22 THR 14 4.860 7.774 -1.906 91 HG23 THR 14 HG23 THR 14 4.959 8.165 -0.190 92 H CYS 15 H CYS 15 3.361 8.513 -3.394 93 HA CYS 15 HA CYS 15 1.964 6.743 -5.291 94 HB2 CYS 15 HB2 CYS 15 3.138 9.480 -5.821 95 HB3 CYS 15 HB3 CYS 15 2.514 8.401 -7.065 96 H CYS 16 H CYS 16 3.205 5.533 -6.665 97 HA CYS 16 HA CYS 16 5.746 4.751 -5.892 98 HB2 CYS 16 HB2 CYS 16 4.426 4.557 -8.606 99 HB3 CYS 16 HB3 CYS 16 5.911 3.719 -8.169 100 H LYS 17 H LYS 17 7.674 4.801 -7.521 101 HA LYS 17 HA LYS 17 8.684 7.417 -7.554 102 HB2 LYS 17 HB2 LYS 17 9.873 5.069 -7.675 103 HB3 LYS 17 HB3 LYS 17 9.771 5.338 -9.410 104 HG2 LYS 17 HG2 LYS 17 11.729 6.377 -9.165 105 HG3 LYS 17 HG3 LYS 17 10.770 7.719 -8.537 106 HD2 LYS 17 HD2 LYS 17 12.156 7.519 -6.764 107 HD3 LYS 17 HD3 LYS 17 11.035 6.237 -6.300 108 HE2 LYS 17 HE2 LYS 17 12.755 4.828 -6.309 109 HE3 LYS 17 HE3 LYS 17 12.852 5.041 -8.056 110 HZ1 LYS 17 HZ1 LYS 17 14.924 5.499 -6.641 111 HZ2 LYS 17 HZ2 LYS 17 14.165 6.956 -6.239 112 HZ3 LYS 17 HZ3 LYS 17 14.523 6.607 -7.855 113 H HIS 18 H HIS 18 9.327 8.715 -9.389 114 HA HIS 18 HA HIS 18 8.915 9.852 -11.315 115 HB2 HIS 18 HB2 HIS 18 8.530 7.021 -12.048 116 HB3 HIS 18 HB3 HIS 18 7.767 8.180 -13.133 117 HD1 HIS 18 HD1 HIS 18 9.235 8.721 -15.032 118 HD2 HIS 18 HD2 HIS 18 11.416 8.000 -11.570 119 HE1 HIS 18 HE1 HIS 18 11.646 9.011 -15.684 120 H LEU 19 H LEU 19 6.784 9.355 -9.212 121 HA LEU 19 HA LEU 19 4.586 10.494 -10.767 122 HB2 LEU 19 HB2 LEU 19 4.259 8.213 -8.824 123 HB3 LEU 19 HB3 LEU 19 2.946 9.085 -9.611 124 HG LEU 19 HG LEU 19 4.975 7.736 -11.323 125 HD11 LEU 19 HD11 LEU 19 3.249 6.378 -9.395 126 HD12 LEU 19 HD12 LEU 19 4.643 5.779 -10.293 127 HD13 LEU 19 HD13 LEU 19 3.053 5.818 -11.056 128 HD21 LEU 19 HD21 LEU 19 3.326 9.012 -12.455 129 HD22 LEU 19 HD22 LEU 19 2.026 8.318 -11.485 130 HD23 LEU 19 HD23 LEU 19 2.883 7.316 -12.658 131 H VAL 20 H VAL 20 2.999 11.614 -9.440 132 HA VAL 20 HA VAL 20 3.885 12.262 -6.723 133 HB VAL 20 HB VAL 20 3.362 14.699 -7.217 134 HG11 VAL 20 HG11 VAL 20 5.754 13.491 -8.602 135 HG12 VAL 20 HG12 VAL 20 5.601 15.157 -8.039 136 HG13 VAL 20 HG13 VAL 20 5.636 13.831 -6.876 137 HG21 VAL 20 HG21 VAL 20 2.618 13.659 -9.691 138 HG22 VAL 20 HG22 VAL 20 2.771 15.362 -9.259 139 HG23 VAL 20 HG23 VAL 20 4.131 14.513 -9.994 140 H CYS 21 H CYS 21 2.257 12.828 -5.314 141 HA CYS 21 HA CYS 21 -0.367 11.952 -5.979 142 HB2 CYS 21 HB2 CYS 21 0.411 11.639 -3.730 143 HB3 CYS 21 HB3 CYS 21 0.745 13.358 -3.548 144 H SER 22 H SER 22 -1.290 13.185 -7.565 145 HA SER 22 HA SER 22 -1.255 16.041 -7.533 146 HB2 SER 22 HB2 SER 22 -1.540 14.456 -9.560 147 HB3 SER 22 HB3 SER 22 -3.238 14.393 -9.086 148 HG SER 22 HG SER 22 -1.752 16.730 -9.713 149 H ARG 23 H ARG 23 -2.170 16.923 -5.746 150 HA ARG 23 HA ARG 23 -4.518 15.972 -4.495 151 HB2 ARG 23 HB2 ARG 23 -3.462 18.796 -4.361 152 HB3 ARG 23 HB3 ARG 23 -4.430 17.953 -3.159 153 HG2 ARG 23 HG2 ARG 23 -2.536 16.389 -2.808 154 HG3 ARG 23 HG3 ARG 23 -1.573 17.378 -3.908 155 HD2 ARG 23 HD2 ARG 23 -2.910 18.861 -1.754 156 HD3 ARG 23 HD3 ARG 23 -1.684 17.715 -1.214 157 HE ARG 23 HE ARG 23 -0.780 19.371 -3.365 158 HH11 ARG 23 HH11 ARG 23 -1.245 19.212 0.081 159 HH12 ARG 23 HH12 ARG 23 -0.019 20.386 0.432 160 HH21 ARG 23 HH21 ARG 23 0.836 20.917 -2.916 161 HH22 ARG 23 HH22 ARG 23 1.163 21.355 -1.274 162 H ARG 24 H ARG 24 -3.999 17.909 -7.277 163 HA ARG 24 HA ARG 24 -6.628 19.127 -7.224 164 HB2 ARG 24 HB2 ARG 24 -4.317 19.210 -9.146 165 HB3 ARG 24 HB3 ARG 24 -5.888 19.869 -9.581 166 HG2 ARG 24 HG2 ARG 24 -4.264 20.721 -7.194 167 HG3 ARG 24 HG3 ARG 24 -4.327 21.572 -8.739 168 HD2 ARG 24 HD2 ARG 24 -6.083 22.694 -7.965 169 HD3 ARG 24 HD3 ARG 24 -6.991 21.184 -8.003 170 HE ARG 24 HE ARG 24 -6.934 21.165 -5.725 171 HH11 ARG 24 HH11 ARG 24 -4.363 23.209 -6.880 172 HH12 ARG 24 HH12 ARG 24 -3.894 23.734 -5.297 173 HH21 ARG 24 HH21 ARG 24 -6.326 21.849 -3.636 174 HH22 ARG 24 HH22 ARG 24 -5.011 22.959 -3.453 175 H HIS 25 H HIS 25 -4.902 16.839 -9.344 176 HA HIS 25 HA HIS 25 -7.191 16.173 -10.879 177 HB2 HIS 25 HB2 HIS 25 -4.458 14.989 -10.544 178 HB3 HIS 25 HB3 HIS 25 -5.692 14.096 -11.428 179 HD1 HIS 25 HD1 HIS 25 -6.343 14.959 -13.748 180 HD2 HIS 25 HD2 HIS 25 -3.547 17.344 -11.809 181 HE1 HIS 25 HE1 HIS 25 -5.483 16.546 -15.499 182 H GLY 26 H GLY 26 -5.835 14.944 -7.904 183 HA2 GLY 26 HA2 GLY 26 -7.027 13.730 -6.288 184 HA3 GLY 26 HA3 GLY 26 -8.241 13.349 -7.501 185 H TRP 27 H TRP 27 -5.010 12.856 -8.485 186 HA TRP 27 HA TRP 27 -4.777 10.157 -7.525 187 HB2 TRP 27 HB2 TRP 27 -4.835 9.088 -9.748 188 HB3 TRP 27 HB3 TRP 27 -6.390 9.797 -9.320 189 HD1 TRP 27 HD1 TRP 27 -3.249 11.058 -11.247 190 HE1 TRP 27 HE1 TRP 27 -4.068 12.312 -13.341 191 HE3 TRP 27 HE3 TRP 27 -8.292 10.566 -10.566 192 HZ2 TRP 27 HZ2 TRP 27 -6.527 13.001 -14.544 193 HZ3 TRP 27 HZ3 TRP 27 -9.809 11.551 -12.234 194 HH2 TRP 27 HH2 TRP 27 -8.943 12.743 -14.181 195 H CYS 28 H CYS 28 -2.800 9.093 -8.358 196 HA CYS 28 HA CYS 28 -0.600 10.856 -8.274 197 HB2 CYS 28 HB2 CYS 28 -0.670 7.966 -9.169 198 HB3 CYS 28 HB3 CYS 28 0.769 8.867 -8.699 199 H VAL 29 H VAL 29 0.369 11.983 -9.823 200 HA VAL 29 HA VAL 29 -0.203 11.279 -12.628 201 HB VAL 29 HB VAL 29 0.259 13.675 -13.149 202 HG11 VAL 29 HG11 VAL 29 -2.033 12.657 -11.612 203 HG12 VAL 29 HG12 VAL 29 -1.903 14.414 -11.702 204 HG13 VAL 29 HG13 VAL 29 -1.983 13.458 -13.182 205 HG21 VAL 29 HG21 VAL 29 0.101 15.276 -11.230 206 HG22 VAL 29 HG22 VAL 29 0.310 13.902 -10.145 207 HG23 VAL 29 HG23 VAL 29 1.590 14.331 -11.279 208 H TRP 30 H TRP 30 1.496 11.830 -14.187 209 HA TRP 30 HA TRP 30 3.964 10.714 -13.509 210 HB2 TRP 30 HB2 TRP 30 3.144 12.469 -15.825 211 HB3 TRP 30 HB3 TRP 30 4.740 11.735 -15.698 212 HD1 TRP 30 HD1 TRP 30 1.778 11.140 -17.521 213 HE1 TRP 30 HE1 TRP 30 1.394 8.649 -18.043 214 HE3 TRP 30 HE3 TRP 30 5.001 9.093 -14.122 215 HZ2 TRP 30 HZ2 TRP 30 2.333 6.147 -17.133 216 HZ3 TRP 30 HZ3 TRP 30 5.199 6.643 -14.012 217 HH2 TRP 30 HH2 TRP 30 3.891 5.202 -15.486 218 H ASP 31 H ASP 31 5.509 11.503 -12.257 219 HA ASP 31 HA ASP 31 5.609 14.214 -11.427 220 HB2 ASP 31 HB2 ASP 31 6.415 12.279 -10.067 221 HB3 ASP 31 HB3 ASP 31 7.776 12.120 -11.173 222 H GLY 32 H GLY 32 6.390 15.896 -12.502 223 HA2 GLY 32 HA2 GLY 32 8.356 16.937 -13.502 224 HA3 GLY 32 HA3 GLY 32 8.621 15.439 -14.382 225 H THR 33 H THR 33 5.565 15.398 -14.766 226 HA THR 33 HA THR 33 5.570 17.210 -17.089 227 HB THR 33 HB THR 33 4.108 15.724 -18.229 228 HG1 THR 33 HG1 THR 33 2.835 14.361 -17.205 229 HG21 THR 33 HG21 THR 33 5.774 13.636 -16.951 230 HG22 THR 33 HG22 THR 33 6.628 15.018 -17.639 231 HG23 THR 33 HG23 THR 33 5.571 14.039 -18.655 232 H PHE 34 H PHE 34 3.666 16.031 -14.369 233 HA PHE 34 HA PHE 34 1.242 17.260 -14.847 234 HB2 PHE 34 HB2 PHE 34 0.799 17.067 -12.513 235 HB3 PHE 34 HB3 PHE 34 1.831 15.706 -12.938 236 HD1 PHE 34 HD2 PHE 34 4.336 15.941 -12.486 237 HD2 PHE 34 HD1 PHE 34 1.392 18.506 -10.792 238 HE1 PHE 34 HE2 PHE 34 5.924 16.594 -10.724 239 HE2 PHE 34 HE1 PHE 34 2.976 19.164 -9.028 240 HZ PHE 34 HZ PHE 34 5.245 18.207 -8.991 241 H SER 35 H SER 35 0.356 19.161 -13.544 242 HA SER 35 HA SER 35 2.289 21.385 -13.618 243 HB2 SER 35 HB2 SER 35 -0.460 22.231 -14.007 244 HB3 SER 35 HB3 SER 35 0.959 22.547 -15.005 245 HG SER 35 HG SER 35 -0.131 21.301 -16.337 Start of MODEL 16 1 H1 GLU 1 H GLU 1 0.323 -0.353 -0.724 2 HA GLU 1 HA GLU 1 3.241 0.005 -0.732 3 HB2 GLU 1 HB2 GLU 1 1.656 -1.322 -2.937 4 HB3 GLU 1 HB3 GLU 1 3.394 -1.053 -2.918 5 HG2 GLU 1 HG2 GLU 1 3.440 -2.493 -0.827 6 HG3 GLU 1 HG3 GLU 1 1.786 -2.945 -1.237 7 H CYS 2 H CYS 2 3.800 0.982 -3.075 8 HA CYS 2 HA CYS 2 2.518 3.550 -3.095 9 HB2 CYS 2 HB2 CYS 2 4.179 4.190 -4.690 10 HB3 CYS 2 HB3 CYS 2 4.976 3.163 -3.502 11 H ARG 3 H ARG 3 1.390 4.510 -4.818 12 HA ARG 3 HA ARG 3 -0.063 2.580 -6.473 13 HB2 ARG 3 HB2 ARG 3 -0.672 5.497 -5.958 14 HB3 ARG 3 HB3 ARG 3 -1.711 4.346 -6.788 15 HG2 ARG 3 HG2 ARG 3 -1.066 3.275 -4.239 16 HG3 ARG 3 HG3 ARG 3 -1.593 4.946 -4.027 17 HD2 ARG 3 HD2 ARG 3 -3.664 4.527 -5.085 18 HD3 ARG 3 HD3 ARG 3 -3.116 2.971 -5.705 19 HE ARG 3 HE ARG 3 -3.125 3.135 -2.836 20 HH11 ARG 3 HH11 ARG 3 -5.020 2.437 -5.672 21 HH12 ARG 3 HH12 ARG 3 -6.149 1.429 -4.829 22 HH21 ARG 3 HH21 ARG 3 -4.606 1.810 -1.715 23 HH22 ARG 3 HH22 ARG 3 -5.913 1.074 -2.578 24 H TYR 4 H TYR 4 -0.522 3.101 -8.714 25 HA TYR 4 HA TYR 4 1.778 4.402 -9.984 26 HB2 TYR 4 HB2 TYR 4 1.066 3.184 -12.022 27 HB3 TYR 4 HB3 TYR 4 1.395 2.105 -10.671 28 HD1 TYR 4 HD2 TYR 4 -0.416 0.899 -9.572 29 HD2 TYR 4 HD1 TYR 4 -1.185 3.469 -12.875 30 HE1 TYR 4 HE2 TYR 4 -2.646 -0.106 -9.827 31 HE2 TYR 4 HE1 TYR 4 -3.418 2.472 -13.138 32 HH TYR 4 HH TYR 4 -4.328 -0.383 -11.781 33 H TRP 5 H TRP 5 0.885 5.061 -12.421 34 HA TRP 5 HA TRP 5 -0.252 7.551 -12.136 35 HB2 TRP 5 HB2 TRP 5 0.898 6.484 -14.186 36 HB3 TRP 5 HB3 TRP 5 -0.709 5.901 -14.612 37 HD1 TRP 5 HD1 TRP 5 0.368 9.405 -13.323 38 HE1 TRP 5 HE1 TRP 5 -0.490 11.158 -15.000 39 HE3 TRP 5 HE3 TRP 5 -1.679 6.267 -16.801 40 HZ2 TRP 5 HZ2 TRP 5 -1.855 11.205 -17.471 41 HZ3 TRP 5 HZ3 TRP 5 -2.742 7.246 -18.792 42 HH2 TRP 5 HH2 TRP 5 -2.828 9.664 -19.118 43 H LEU 6 H LEU 6 -2.266 8.365 -11.985 44 HA LEU 6 HA LEU 6 -4.506 8.447 -11.604 45 HB2 LEU 6 HB2 LEU 6 -4.762 6.105 -13.465 46 HB3 LEU 6 HB3 LEU 6 -5.917 7.405 -13.175 47 HG LEU 6 HG LEU 6 -3.345 7.537 -14.737 48 HD11 LEU 6 HD11 LEU 6 -5.265 6.616 -15.923 49 HD12 LEU 6 HD12 LEU 6 -4.826 8.200 -16.560 50 HD13 LEU 6 HD13 LEU 6 -6.221 8.035 -15.494 51 HD21 LEU 6 HD21 LEU 6 -5.147 9.759 -13.795 52 HD22 LEU 6 HD22 LEU 6 -3.994 9.930 -15.119 53 HD23 LEU 6 HD23 LEU 6 -3.421 9.563 -13.491 54 H GLY 7 H GLY 7 -2.780 6.575 -10.035 55 HA2 GLY 7 HA2 GLY 7 -4.333 4.264 -9.414 56 HA3 GLY 7 HA3 GLY 7 -2.994 4.900 -8.469 57 H GLY 8 H GLY 8 -4.043 7.477 -7.953 58 HA2 GLY 8 HA2 GLY 8 -5.932 8.508 -6.896 59 HA3 GLY 8 HA3 GLY 8 -6.516 6.908 -6.464 60 H CYS 9 H CYS 9 -4.122 9.378 -5.732 61 HA CYS 9 HA CYS 9 -3.148 8.014 -3.393 62 HB2 CYS 9 HB2 CYS 9 -1.745 9.922 -3.061 63 HB3 CYS 9 HB3 CYS 9 -1.779 9.601 -4.792 64 H SER 10 H SER 10 -2.978 9.825 -1.427 65 HA SER 10 HA SER 10 -5.516 11.083 -0.903 66 HB2 SER 10 HB2 SER 10 -5.628 8.501 -0.347 67 HB3 SER 10 HB3 SER 10 -4.771 9.000 1.111 68 HG SER 10 HG SER 10 -7.337 9.115 0.703 69 H ALA 11 H ALA 11 -5.399 11.398 1.795 70 HA ALA 11 HA ALA 11 -3.285 13.296 2.077 71 HB1 ALA 11 HB1 ALA 11 -5.551 12.378 3.778 72 HB2 ALA 11 HB2 ALA 11 -4.242 13.298 4.520 73 HB3 ALA 11 HB3 ALA 11 -5.165 13.994 3.188 74 H GLY 12 H GLY 12 -3.666 9.963 2.865 75 HA2 GLY 12 HA2 GLY 12 -1.112 10.059 4.349 76 HA3 GLY 12 HA3 GLY 12 -2.430 8.998 4.828 77 H GLN 13 H GLN 13 -1.914 9.456 1.456 78 HA GLN 13 HA GLN 13 -0.778 6.745 1.298 79 HB2 GLN 13 HB2 GLN 13 -2.847 8.163 -0.238 80 HB3 GLN 13 HB3 GLN 13 -1.691 7.276 -1.223 81 HG2 GLN 13 HG2 GLN 13 -2.166 5.273 0.224 82 HG3 GLN 13 HG3 GLN 13 -3.496 6.197 0.921 83 HE21 GLN 13 HE21 GLN 13 -2.263 5.818 -2.384 84 HE22 GLN 13 HE22 GLN 13 -3.767 5.318 -3.071 85 H THR 14 H THR 14 0.397 6.449 -0.928 86 HA THR 14 HA THR 14 2.060 8.792 -1.523 87 HB THR 14 HB THR 14 3.432 6.150 -1.355 88 HG1 THR 14 HG1 THR 14 2.999 7.823 0.913 89 HG21 THR 14 HG21 THR 14 4.120 9.020 -1.355 90 HG22 THR 14 HG22 THR 14 4.989 7.646 -2.037 91 HG23 THR 14 HG23 THR 14 5.105 7.994 -0.313 92 H CYS 15 H CYS 15 3.457 8.389 -3.487 93 HA CYS 15 HA CYS 15 2.058 6.642 -5.404 94 HB2 CYS 15 HB2 CYS 15 3.191 9.402 -5.907 95 HB3 CYS 15 HB3 CYS 15 2.526 8.344 -7.146 96 H CYS 16 H CYS 16 3.297 5.488 -6.827 97 HA CYS 16 HA CYS 16 5.865 4.736 -6.112 98 HB2 CYS 16 HB2 CYS 16 4.516 4.575 -8.814 99 HB3 CYS 16 HB3 CYS 16 6.009 3.740 -8.399 100 H LYS 17 H LYS 17 7.758 4.852 -7.787 101 HA LYS 17 HA LYS 17 8.724 7.485 -7.779 102 HB2 LYS 17 HB2 LYS 17 9.977 5.198 -7.947 103 HB3 LYS 17 HB3 LYS 17 9.782 5.422 -9.680 104 HG2 LYS 17 HG2 LYS 17 11.573 6.715 -9.705 105 HG3 LYS 17 HG3 LYS 17 10.764 7.852 -8.623 106 HD2 LYS 17 HD2 LYS 17 11.964 5.407 -7.432 107 HD3 LYS 17 HD3 LYS 17 13.056 6.683 -7.975 108 HE2 LYS 17 HE2 LYS 17 12.687 7.682 -6.020 109 HE3 LYS 17 HE3 LYS 17 11.059 8.029 -6.599 110 HZ1 LYS 17 HZ1 LYS 17 11.650 6.598 -4.390 111 HZ2 LYS 17 HZ2 LYS 17 11.373 5.376 -5.526 112 HZ3 LYS 17 HZ3 LYS 17 10.176 6.532 -5.219 113 H HIS 18 H HIS 18 9.306 8.834 -9.596 114 HA HIS 18 HA HIS 18 8.835 10.008 -11.487 115 HB2 HIS 18 HB2 HIS 18 8.482 7.189 -12.275 116 HB3 HIS 18 HB3 HIS 18 7.669 8.356 -13.314 117 HD1 HIS 18 HD1 HIS 18 9.095 8.759 -15.283 118 HD2 HIS 18 HD2 HIS 18 11.341 8.419 -11.804 119 HE1 HIS 18 HE1 HIS 18 11.478 9.162 -15.978 120 H LEU 19 H LEU 19 6.762 9.439 -9.348 121 HA LEU 19 HA LEU 19 4.513 10.576 -10.829 122 HB2 LEU 19 HB2 LEU 19 4.268 8.244 -8.935 123 HB3 LEU 19 HB3 LEU 19 2.921 9.118 -9.661 124 HG LEU 19 HG LEU 19 4.907 7.868 -11.485 125 HD11 LEU 19 HD11 LEU 19 2.912 5.943 -11.030 126 HD12 LEU 19 HD12 LEU 19 3.549 6.387 -9.448 127 HD13 LEU 19 HD13 LEU 19 4.641 5.811 -10.707 128 HD21 LEU 19 HD21 LEU 19 2.754 7.393 -12.716 129 HD22 LEU 19 HD22 LEU 19 3.167 9.096 -12.516 130 HD23 LEU 19 HD23 LEU 19 1.939 8.359 -11.486 131 H VAL 20 H VAL 20 2.928 11.626 -9.430 132 HA VAL 20 HA VAL 20 3.862 12.224 -6.720 133 HB VAL 20 HB VAL 20 3.334 14.666 -7.131 134 HG11 VAL 20 HG11 VAL 20 5.684 13.387 -8.519 135 HG12 VAL 20 HG12 VAL 20 5.548 15.114 -8.181 136 HG13 VAL 20 HG13 VAL 20 5.606 13.956 -6.851 137 HG21 VAL 20 HG21 VAL 20 4.009 14.608 -9.926 138 HG22 VAL 20 HG22 VAL 20 2.535 13.687 -9.630 139 HG23 VAL 20 HG23 VAL 20 2.638 15.372 -9.122 140 H CYS 21 H CYS 21 2.252 12.714 -5.271 141 HA CYS 21 HA CYS 21 -0.374 11.842 -5.914 142 HB2 CYS 21 HB2 CYS 21 0.440 11.493 -3.683 143 HB3 CYS 21 HB3 CYS 21 0.765 13.211 -3.473 144 H SER 22 H SER 22 -1.331 13.096 -7.463 145 HA SER 22 HA SER 22 -1.332 15.956 -7.354 146 HB2 SER 22 HB2 SER 22 -1.589 14.415 -9.426 147 HB3 SER 22 HB3 SER 22 -3.288 14.332 -8.963 148 HG SER 22 HG SER 22 -2.876 16.819 -8.871 149 H ARG 23 H ARG 23 -2.296 16.826 -5.603 150 HA ARG 23 HA ARG 23 -4.640 15.775 -4.388 151 HB2 ARG 23 HB2 ARG 23 -3.580 18.587 -4.114 152 HB3 ARG 23 HB3 ARG 23 -4.578 17.702 -2.968 153 HG2 ARG 23 HG2 ARG 23 -2.729 16.143 -2.574 154 HG3 ARG 23 HG3 ARG 23 -1.730 17.059 -3.704 155 HD2 ARG 23 HD2 ARG 23 -3.022 18.428 -1.379 156 HD3 ARG 23 HD3 ARG 23 -1.534 17.510 -1.151 157 HE ARG 23 HE ARG 23 -1.122 19.212 -3.305 158 HH11 ARG 23 HH11 ARG 23 -1.779 19.455 0.105 159 HH12 ARG 23 HH12 ARG 23 -0.945 20.962 0.292 160 HH21 ARG 23 HH21 ARG 23 -0.021 21.197 -3.072 161 HH22 ARG 23 HH22 ARG 23 0.053 21.953 -1.517 162 H ARG 24 H ARG 24 -4.098 17.809 -7.087 163 HA ARG 24 HA ARG 24 -6.720 19.042 -7.006 164 HB2 ARG 24 HB2 ARG 24 -4.426 19.159 -8.957 165 HB3 ARG 24 HB3 ARG 24 -5.983 19.902 -9.300 166 HG2 ARG 24 HG2 ARG 24 -5.404 20.866 -6.802 167 HG3 ARG 24 HG3 ARG 24 -3.818 20.800 -7.573 168 HD2 ARG 24 HD2 ARG 24 -5.438 21.846 -9.541 169 HD3 ARG 24 HD3 ARG 24 -6.068 22.581 -8.067 170 HE ARG 24 HE ARG 24 -3.361 22.890 -7.885 171 HH11 ARG 24 HH11 ARG 24 -5.791 23.754 -10.224 172 HH12 ARG 24 HH12 ARG 24 -4.947 25.164 -10.774 173 HH21 ARG 24 HH21 ARG 24 -2.240 24.743 -8.600 174 HH22 ARG 24 HH22 ARG 24 -2.927 25.725 -9.850 175 H HIS 25 H HIS 25 -5.005 16.663 -9.009 176 HA HIS 25 HA HIS 25 -7.306 16.104 -10.627 177 HB2 HIS 25 HB2 HIS 25 -4.556 14.941 -10.371 178 HB3 HIS 25 HB3 HIS 25 -5.793 14.059 -11.262 179 HD1 HIS 25 HD1 HIS 25 -6.477 14.969 -13.549 180 HD2 HIS 25 HD2 HIS 25 -3.709 17.357 -11.574 181 HE1 HIS 25 HE1 HIS 25 -5.670 16.622 -15.264 182 H GLY 26 H GLY 26 -5.908 14.804 -7.706 183 HA2 GLY 26 HA2 GLY 26 -7.071 13.526 -6.117 184 HA3 GLY 26 HA3 GLY 26 -8.286 13.161 -7.333 185 H TRP 27 H TRP 27 -5.057 12.747 -8.354 186 HA TRP 27 HA TRP 27 -4.771 10.027 -7.470 187 HB2 TRP 27 HB2 TRP 27 -4.831 9.019 -9.722 188 HB3 TRP 27 HB3 TRP 27 -6.394 9.689 -9.261 189 HD1 TRP 27 HD1 TRP 27 -3.292 11.059 -11.177 190 HE1 TRP 27 HE1 TRP 27 -4.151 12.354 -13.229 191 HE3 TRP 27 HE3 TRP 27 -8.319 10.455 -10.472 192 HZ2 TRP 27 HZ2 TRP 27 -6.631 13.031 -14.394 193 HZ3 TRP 27 HZ3 TRP 27 -9.867 11.458 -12.100 194 HH2 TRP 27 HH2 TRP 27 -9.039 12.720 -14.019 195 H CYS 28 H CYS 28 -2.784 9.020 -8.340 196 HA CYS 28 HA CYS 28 -0.614 10.821 -8.234 197 HB2 CYS 28 HB2 CYS 28 -0.627 7.952 -9.195 198 HB3 CYS 28 HB3 CYS 28 0.788 8.871 -8.691 199 H VAL 29 H VAL 29 0.325 11.993 -9.769 200 HA VAL 29 HA VAL 29 -0.258 11.333 -12.583 201 HB VAL 29 HB VAL 29 0.153 13.743 -13.065 202 HG11 VAL 29 HG11 VAL 29 -2.099 12.658 -11.520 203 HG12 VAL 29 HG12 VAL 29 -1.994 14.419 -11.557 204 HG13 VAL 29 HG13 VAL 29 -2.084 13.508 -13.065 205 HG21 VAL 29 HG21 VAL 29 1.504 14.395 -11.214 206 HG22 VAL 29 HG22 VAL 29 -0.001 15.309 -11.112 207 HG23 VAL 29 HG23 VAL 29 0.259 13.918 -10.060 208 H TRP 30 H TRP 30 1.423 11.996 -14.142 209 HA TRP 30 HA TRP 30 3.911 10.883 -13.519 210 HB2 TRP 30 HB2 TRP 30 3.092 12.734 -15.764 211 HB3 TRP 30 HB3 TRP 30 4.662 11.940 -15.677 212 HD1 TRP 30 HD1 TRP 30 1.685 11.519 -17.513 213 HE1 TRP 30 HE1 TRP 30 1.204 9.065 -18.120 214 HE3 TRP 30 HE3 TRP 30 4.819 9.231 -14.185 215 HZ2 TRP 30 HZ2 TRP 30 2.042 6.498 -17.297 216 HZ3 TRP 30 HZ3 TRP 30 4.920 6.772 -14.159 217 HH2 TRP 30 HH2 TRP 30 3.560 5.436 -15.683 218 H ASP 31 H ASP 31 5.668 11.655 -12.546 219 HA ASP 31 HA ASP 31 5.676 14.378 -11.580 220 HB2 ASP 31 HB2 ASP 31 6.411 12.444 -10.177 221 HB3 ASP 31 HB3 ASP 31 7.796 12.246 -11.247 222 H GLY 32 H GLY 32 6.601 16.044 -12.568 223 HA2 GLY 32 HA2 GLY 32 8.670 16.947 -13.534 224 HA3 GLY 32 HA3 GLY 32 8.759 15.488 -14.508 225 H THR 33 H THR 33 5.735 15.716 -14.851 226 HA THR 33 HA THR 33 5.785 17.837 -16.900 227 HB THR 33 HB THR 33 5.806 15.621 -17.946 228 HG1 THR 33 HG1 THR 33 3.781 15.930 -19.148 229 HG21 THR 33 HG21 THR 33 3.952 14.076 -17.679 230 HG22 THR 33 HG22 THR 33 3.172 15.171 -16.538 231 HG23 THR 33 HG23 THR 33 4.696 14.392 -16.112 232 H PHE 34 H PHE 34 3.935 16.161 -14.443 233 HA PHE 34 HA PHE 34 1.412 17.212 -14.817 234 HB2 PHE 34 HB2 PHE 34 0.966 16.691 -12.544 235 HB3 PHE 34 HB3 PHE 34 2.159 15.512 -13.080 236 HD1 PHE 34 HD2 PHE 34 4.658 16.193 -12.636 237 HD2 PHE 34 HD1 PHE 34 1.304 17.779 -10.551 238 HE1 PHE 34 HE2 PHE 34 6.125 16.826 -10.765 239 HE2 PHE 34 HE1 PHE 34 2.766 18.416 -8.677 240 HZ PHE 34 HZ PHE 34 5.180 17.938 -8.782 241 H SER 35 H SER 35 0.332 18.876 -13.380 242 HA SER 35 HA SER 35 0.026 21.078 -12.893 243 HB2 SER 35 HB2 SER 35 2.047 20.178 -11.275 244 HB3 SER 35 HB3 SER 35 2.794 21.581 -12.037 245 HG SER 35 HG SER 35 0.307 21.549 -10.666 Start of MODEL 17 1 H1 GLU 1 H GLU 1 0.545 0.655 0.183 2 HA GLU 1 HA GLU 1 3.113 0.040 -0.722 3 HB2 GLU 1 HB2 GLU 1 1.360 -1.932 -1.510 4 HB3 GLU 1 HB3 GLU 1 1.388 -0.868 -2.909 5 HG2 GLU 1 HG2 GLU 1 3.854 -1.027 -2.930 6 HG3 GLU 1 HG3 GLU 1 3.757 -2.187 -1.606 7 H CYS 2 H CYS 2 3.594 1.079 -2.866 8 HA CYS 2 HA CYS 2 2.336 3.658 -2.941 9 HB2 CYS 2 HB2 CYS 2 4.022 4.258 -4.524 10 HB3 CYS 2 HB3 CYS 2 4.795 3.238 -3.315 11 H ARG 3 H ARG 3 1.235 4.601 -4.690 12 HA ARG 3 HA ARG 3 -0.215 2.659 -6.333 13 HB2 ARG 3 HB2 ARG 3 -0.807 5.587 -5.865 14 HB3 ARG 3 HB3 ARG 3 -1.845 4.433 -6.692 15 HG2 ARG 3 HG2 ARG 3 -1.241 3.389 -4.123 16 HG3 ARG 3 HG3 ARG 3 -1.750 5.068 -3.936 17 HD2 ARG 3 HD2 ARG 3 -3.690 3.664 -3.812 18 HD3 ARG 3 HD3 ARG 3 -3.742 4.560 -5.330 19 HE ARG 3 HE ARG 3 -3.617 2.576 -6.456 20 HH11 ARG 3 HH11 ARG 3 -2.614 2.069 -3.161 21 HH12 ARG 3 HH12 ARG 3 -2.516 0.347 -3.319 22 HH21 ARG 3 HH21 ARG 3 -3.491 0.309 -6.676 23 HH22 ARG 3 HH22 ARG 3 -3.014 -0.653 -5.319 24 H TYR 4 H TYR 4 -0.638 3.142 -8.586 25 HA TYR 4 HA TYR 4 1.682 4.412 -9.849 26 HB2 TYR 4 HB2 TYR 4 0.985 3.168 -11.876 27 HB3 TYR 4 HB3 TYR 4 1.295 2.108 -10.506 28 HD1 TYR 4 HD1 TYR 4 -0.528 0.921 -9.411 29 HD2 TYR 4 HD2 TYR 4 -1.259 3.451 -12.753 30 HE1 TYR 4 HE1 TYR 4 -2.760 -0.078 -9.672 31 HE2 TYR 4 HE2 TYR 4 -3.493 2.460 -13.022 32 HH TYR 4 HH TYR 4 -4.776 0.626 -12.433 33 H TRP 5 H TRP 5 0.823 5.039 -12.305 34 HA TRP 5 HA TRP 5 -0.304 7.539 -12.072 35 HB2 TRP 5 HB2 TRP 5 0.866 6.435 -14.091 36 HB3 TRP 5 HB3 TRP 5 -0.739 5.855 -14.528 37 HD1 TRP 5 HD1 TRP 5 0.341 9.372 -13.280 38 HE1 TRP 5 HE1 TRP 5 -0.487 11.104 -14.995 39 HE3 TRP 5 HE3 TRP 5 -1.682 6.192 -16.733 40 HZ2 TRP 5 HZ2 TRP 5 -1.822 11.120 -17.482 41 HZ3 TRP 5 HZ3 TRP 5 -2.716 7.146 -18.752 42 HH2 TRP 5 HH2 TRP 5 -2.784 9.559 -19.116 43 H LEU 6 H LEU 6 -2.315 8.368 -11.963 44 HA LEU 6 HA LEU 6 -4.559 8.468 -11.608 45 HB2 LEU 6 HB2 LEU 6 -4.806 6.101 -13.438 46 HB3 LEU 6 HB3 LEU 6 -5.956 7.412 -13.182 47 HG LEU 6 HG LEU 6 -3.364 7.505 -14.713 48 HD11 LEU 6 HD11 LEU 6 -6.226 8.012 -15.514 49 HD12 LEU 6 HD12 LEU 6 -5.277 6.579 -15.908 50 HD13 LEU 6 HD13 LEU 6 -4.816 8.149 -16.564 51 HD21 LEU 6 HD21 LEU 6 -3.973 9.894 -15.133 52 HD22 LEU 6 HD22 LEU 6 -3.454 9.548 -13.483 53 HD23 LEU 6 HD23 LEU 6 -5.169 9.756 -13.844 54 H GLY 7 H GLY 7 -2.863 6.608 -9.991 55 HA2 GLY 7 HA2 GLY 7 -4.436 4.316 -9.357 56 HA3 GLY 7 HA3 GLY 7 -3.107 4.958 -8.404 57 H GLY 8 H GLY 8 -4.111 7.529 -7.892 58 HA2 GLY 8 HA2 GLY 8 -6.017 8.594 -6.886 59 HA3 GLY 8 HA3 GLY 8 -6.623 7.004 -6.448 60 H CYS 9 H CYS 9 -4.215 9.458 -5.706 61 HA CYS 9 HA CYS 9 -3.276 8.110 -3.347 62 HB2 CYS 9 HB2 CYS 9 -1.894 10.041 -2.995 63 HB3 CYS 9 HB3 CYS 9 -1.876 9.676 -4.718 64 H SER 10 H SER 10 -3.126 9.956 -1.398 65 HA SER 10 HA SER 10 -5.682 11.192 -0.906 66 HB2 SER 10 HB2 SER 10 -5.467 8.523 -0.196 67 HB3 SER 10 HB3 SER 10 -5.112 9.373 1.308 68 HG SER 10 HG SER 10 -7.464 8.907 0.342 69 H ALA 11 H ALA 11 -5.586 11.545 1.788 70 HA ALA 11 HA ALA 11 -3.495 13.470 2.058 71 HB1 ALA 11 HB1 ALA 11 -4.586 13.162 4.574 72 HB2 ALA 11 HB2 ALA 11 -5.118 14.303 3.338 73 HB3 ALA 11 HB3 ALA 11 -5.911 12.735 3.490 74 H GLY 12 H GLY 12 -3.847 10.143 2.894 75 HA2 GLY 12 HA2 GLY 12 -1.297 10.286 4.380 76 HA3 GLY 12 HA3 GLY 12 -2.607 9.227 4.880 77 H GLN 13 H GLN 13 -2.084 9.626 1.500 78 HA GLN 13 HA GLN 13 -0.947 6.914 1.394 79 HB2 GLN 13 HB2 GLN 13 -3.003 8.307 -0.177 80 HB3 GLN 13 HB3 GLN 13 -1.837 7.413 -1.144 81 HG2 GLN 13 HG2 GLN 13 -2.318 5.422 0.309 82 HG3 GLN 13 HG3 GLN 13 -3.646 6.349 1.005 83 HE21 GLN 13 HE21 GLN 13 -2.422 5.958 -2.302 84 HE22 GLN 13 HE22 GLN 13 -3.927 5.451 -2.982 85 H THR 14 H THR 14 0.239 6.586 -0.830 86 HA THR 14 HA THR 14 1.915 8.915 -1.439 87 HB THR 14 HB THR 14 3.277 6.271 -1.223 88 HG1 THR 14 HG1 THR 14 3.371 6.336 0.930 89 HG21 THR 14 HG21 THR 14 4.955 8.120 -0.204 90 HG22 THR 14 HG22 THR 14 3.976 9.140 -1.258 91 HG23 THR 14 HG23 THR 14 4.839 7.754 -1.924 92 H CYS 15 H CYS 15 3.323 8.486 -3.389 93 HA CYS 15 HA CYS 15 1.930 6.721 -5.294 94 HB2 CYS 15 HB2 CYS 15 3.086 9.468 -5.813 95 HB3 CYS 15 HB3 CYS 15 2.442 8.398 -7.054 96 H CYS 16 H CYS 16 3.170 5.534 -6.687 97 HA CYS 16 HA CYS 16 5.724 4.768 -5.939 98 HB2 CYS 16 HB2 CYS 16 4.399 4.583 -8.651 99 HB3 CYS 16 HB3 CYS 16 5.880 3.739 -8.210 100 H LYS 17 H LYS 17 7.634 4.843 -7.595 101 HA LYS 17 HA LYS 17 8.623 7.469 -7.616 102 HB2 LYS 17 HB2 LYS 17 9.903 5.233 -7.689 103 HB3 LYS 17 HB3 LYS 17 9.650 5.297 -9.428 104 HG2 LYS 17 HG2 LYS 17 11.161 6.941 -9.726 105 HG3 LYS 17 HG3 LYS 17 10.764 7.732 -8.198 106 HD2 LYS 17 HD2 LYS 17 11.879 5.529 -7.216 107 HD3 LYS 17 HD3 LYS 17 12.707 5.559 -8.774 108 HE2 LYS 17 HE2 LYS 17 14.050 7.196 -8.094 109 HE3 LYS 17 HE3 LYS 17 12.677 8.186 -7.603 110 HZ1 LYS 17 HZ1 LYS 17 12.871 6.258 -5.671 111 HZ2 LYS 17 HZ2 LYS 17 13.374 7.866 -5.534 112 HZ3 LYS 17 HZ3 LYS 17 14.479 6.671 -5.994 113 H HIS 18 H HIS 18 9.234 8.787 -9.445 114 HA HIS 18 HA HIS 18 8.793 9.936 -11.359 115 HB2 HIS 18 HB2 HIS 18 8.428 7.108 -12.109 116 HB3 HIS 18 HB3 HIS 18 7.635 8.265 -13.173 117 HD1 HIS 18 HD1 HIS 18 9.097 8.530 -15.146 118 HD2 HIS 18 HD2 HIS 18 11.278 8.425 -11.611 119 HE1 HIS 18 HE1 HIS 18 11.487 8.932 -15.818 120 H LEU 19 H LEU 19 6.696 9.427 -9.235 121 HA LEU 19 HA LEU 19 4.470 10.552 -10.759 122 HB2 LEU 19 HB2 LEU 19 4.191 8.254 -8.827 123 HB3 LEU 19 HB3 LEU 19 2.856 9.128 -9.576 124 HG LEU 19 HG LEU 19 4.846 7.827 -11.363 125 HD11 LEU 19 HD11 LEU 19 2.986 5.858 -11.044 126 HD12 LEU 19 HD12 LEU 19 3.225 6.408 -9.386 127 HD13 LEU 19 HD13 LEU 19 4.602 5.854 -10.338 128 HD21 LEU 19 HD21 LEU 19 2.699 7.359 -12.607 129 HD22 LEU 19 HD22 LEU 19 3.134 9.060 -12.433 130 HD23 LEU 19 HD23 LEU 19 1.885 8.359 -11.403 131 H VAL 20 H VAL 20 2.850 11.595 -9.367 132 HA VAL 20 HA VAL 20 3.768 12.248 -6.669 133 HB VAL 20 HB VAL 20 3.270 14.688 -7.123 134 HG11 VAL 20 HG11 VAL 20 5.608 13.729 -8.738 135 HG12 VAL 20 HG12 VAL 20 5.482 15.153 -7.704 136 HG13 VAL 20 HG13 VAL 20 5.565 13.544 -6.985 137 HG21 VAL 20 HG21 VAL 20 2.600 15.369 -9.130 138 HG22 VAL 20 HG22 VAL 20 3.975 14.586 -9.909 139 HG23 VAL 20 HG23 VAL 20 2.492 13.677 -9.617 140 H CYS 21 H CYS 21 2.145 12.766 -5.247 141 HA CYS 21 HA CYS 21 -0.480 11.911 -5.912 142 HB2 CYS 21 HB2 CYS 21 0.303 11.588 -3.666 143 HB3 CYS 21 HB3 CYS 21 0.637 13.306 -3.477 144 H SER 22 H SER 22 -1.409 13.150 -7.489 145 HA SER 22 HA SER 22 -1.386 16.012 -7.421 146 HB2 SER 22 HB2 SER 22 -1.627 14.442 -9.475 147 HB3 SER 22 HB3 SER 22 -3.333 14.384 -9.035 148 HG SER 22 HG SER 22 -2.949 16.854 -8.982 149 H ARG 23 H ARG 23 -2.364 16.907 -5.689 150 HA ARG 23 HA ARG 23 -4.736 15.893 -4.498 151 HB2 ARG 23 HB2 ARG 23 -3.366 18.576 -4.255 152 HB3 ARG 23 HB3 ARG 23 -4.741 18.082 -3.276 153 HG2 ARG 23 HG2 ARG 23 -3.363 16.135 -2.499 154 HG3 ARG 23 HG3 ARG 23 -1.986 16.883 -3.311 155 HD2 ARG 23 HD2 ARG 23 -3.554 18.594 -1.474 156 HD3 ARG 23 HD3 ARG 23 -2.581 17.320 -0.739 157 HE ARG 23 HE ARG 23 -1.133 18.888 -2.655 158 HH11 ARG 23 HH11 ARG 23 -2.191 18.702 0.657 159 HH12 ARG 23 HH12 ARG 23 -0.919 19.715 1.256 160 HH21 ARG 23 HH21 ARG 23 0.546 20.222 -1.878 161 HH22 ARG 23 HH22 ARG 23 0.636 20.580 -0.186 162 H ARG 24 H ARG 24 -4.138 17.876 -7.219 163 HA ARG 24 HA ARG 24 -6.747 19.141 -7.187 164 HB2 ARG 24 HB2 ARG 24 -4.417 19.216 -9.095 165 HB3 ARG 24 HB3 ARG 24 -5.964 19.954 -9.489 166 HG2 ARG 24 HG2 ARG 24 -5.743 21.277 -7.355 167 HG3 ARG 24 HG3 ARG 24 -4.084 20.683 -7.264 168 HD2 ARG 24 HD2 ARG 24 -4.090 21.568 -9.789 169 HD3 ARG 24 HD3 ARG 24 -5.308 22.647 -9.109 170 HE ARG 24 HE ARG 24 -3.114 22.651 -7.391 171 HH11 ARG 24 HH11 ARG 24 -3.903 23.616 -10.641 172 HH12 ARG 24 HH12 ARG 24 -2.743 24.903 -10.679 173 HH21 ARG 24 HH21 ARG 24 -1.583 24.342 -7.429 174 HH22 ARG 24 HH22 ARG 24 -1.424 25.314 -8.852 175 H HIS 25 H HIS 25 -5.029 16.717 -9.131 176 HA HIS 25 HA HIS 25 -7.313 16.161 -10.775 177 HB2 HIS 25 HB2 HIS 25 -4.575 14.982 -10.472 178 HB3 HIS 25 HB3 HIS 25 -5.808 14.093 -11.361 179 HD1 HIS 25 HD1 HIS 25 -6.475 14.981 -13.666 180 HD2 HIS 25 HD2 HIS 25 -3.689 17.362 -11.709 181 HE1 HIS 25 HE1 HIS 25 -5.637 16.598 -15.400 182 H GLY 26 H GLY 26 -5.970 14.889 -7.818 183 HA2 GLY 26 HA2 GLY 26 -7.166 13.642 -6.230 184 HA3 GLY 26 HA3 GLY 26 -8.365 13.268 -7.460 185 H TRP 27 H TRP 27 -5.125 12.817 -8.427 186 HA TRP 27 HA TRP 27 -4.871 10.109 -7.501 187 HB2 TRP 27 HB2 TRP 27 -4.906 9.069 -9.738 188 HB3 TRP 27 HB3 TRP 27 -6.470 9.755 -9.309 189 HD1 TRP 27 HD1 TRP 27 -3.332 11.075 -11.202 190 HE1 TRP 27 HE1 TRP 27 -4.154 12.348 -13.283 191 HE3 TRP 27 HE3 TRP 27 -8.373 10.521 -10.555 192 HZ2 TRP 27 HZ2 TRP 27 -6.613 13.027 -14.490 193 HZ3 TRP 27 HZ3 TRP 27 -9.892 11.513 -12.218 194 HH2 TRP 27 HH2 TRP 27 -9.028 12.740 -14.144 195 H CYS 28 H CYS 28 -2.879 9.076 -8.329 196 HA CYS 28 HA CYS 28 -0.698 10.864 -8.218 197 HB2 CYS 28 HB2 CYS 28 -0.734 7.976 -9.119 198 HB3 CYS 28 HB3 CYS 28 0.695 8.890 -8.647 199 H VAL 29 H VAL 29 0.270 12.006 -9.757 200 HA VAL 29 HA VAL 29 -0.276 11.306 -12.568 201 HB VAL 29 HB VAL 29 0.154 13.704 -13.084 202 HG11 VAL 29 HG11 VAL 29 -2.127 12.621 -11.615 203 HG12 VAL 29 HG12 VAL 29 -2.010 14.380 -11.548 204 HG13 VAL 29 HG13 VAL 29 -2.080 13.559 -13.108 205 HG21 VAL 29 HG21 VAL 29 0.222 13.927 -10.081 206 HG22 VAL 29 HG22 VAL 29 1.486 14.379 -11.224 207 HG23 VAL 29 HG23 VAL 29 -0.014 15.303 -11.158 208 H TRP 30 H TRP 30 1.431 11.935 -14.113 209 HA TRP 30 HA TRP 30 3.901 10.815 -13.442 210 HB2 TRP 30 HB2 TRP 30 3.136 12.654 -15.716 211 HB3 TRP 30 HB3 TRP 30 4.693 11.838 -15.598 212 HD1 TRP 30 HD1 TRP 30 1.734 11.444 -17.472 213 HE1 TRP 30 HE1 TRP 30 1.228 8.992 -18.066 214 HE3 TRP 30 HE3 TRP 30 4.792 9.141 -14.084 215 HZ2 TRP 30 HZ2 TRP 30 2.019 6.421 -17.211 216 HZ3 TRP 30 HZ3 TRP 30 4.859 6.681 -14.037 217 HH2 TRP 30 HH2 TRP 30 3.500 5.351 -15.568 218 H ASP 31 H ASP 31 5.659 11.584 -12.466 219 HA ASP 31 HA ASP 31 5.670 14.313 -11.514 220 HB2 ASP 31 HB2 ASP 31 6.376 12.437 -10.059 221 HB3 ASP 31 HB3 ASP 31 7.731 12.129 -11.142 222 H GLY 32 H GLY 32 6.607 15.968 -12.508 223 HA2 GLY 32 HA2 GLY 32 8.691 16.857 -13.457 224 HA3 GLY 32 HA3 GLY 32 8.784 15.390 -14.421 225 H THR 33 H THR 33 5.762 15.631 -14.792 226 HA THR 33 HA THR 33 5.843 17.735 -16.857 227 HB THR 33 HB THR 33 5.864 15.470 -17.847 228 HG1 THR 33 HG1 THR 33 4.788 17.194 -18.941 229 HG21 THR 33 HG21 THR 33 3.058 14.944 -17.111 230 HG22 THR 33 HG22 THR 33 4.236 14.733 -15.815 231 HG23 THR 33 HG23 THR 33 4.406 13.826 -17.318 232 H PHE 34 H PHE 34 3.960 16.085 -14.407 233 HA PHE 34 HA PHE 34 1.447 17.145 -14.814 234 HB2 PHE 34 HB2 PHE 34 0.974 16.639 -12.543 235 HB3 PHE 34 HB3 PHE 34 2.168 15.453 -13.059 236 HD1 PHE 34 HD1 PHE 34 4.665 16.129 -12.594 237 HD2 PHE 34 HD2 PHE 34 1.294 17.735 -10.551 238 HE1 PHE 34 HE1 PHE 34 6.115 16.768 -10.711 239 HE2 PHE 34 HE2 PHE 34 2.738 18.378 -8.666 240 HZ PHE 34 HZ PHE 34 5.152 17.895 -8.744 241 H SER 35 H SER 35 0.350 18.835 -13.451 242 HA SER 35 HA SER 35 1.776 21.323 -13.765 243 HB2 SER 35 HB2 SER 35 -0.690 20.950 -14.303 244 HB3 SER 35 HB3 SER 35 -0.971 20.971 -12.563 245 HG SER 35 HG SER 35 -0.023 23.047 -14.226 Start of MODEL 18 1 H1 GLU 1 H GLU 1 1.223 -0.381 0.749 2 HA GLU 1 HA GLU 1 3.050 0.223 -0.473 3 HB2 GLU 1 HB2 GLU 1 3.311 -0.885 -2.603 4 HB3 GLU 1 HB3 GLU 1 2.514 -1.978 -1.480 5 HG2 GLU 1 HG2 GLU 1 0.336 -1.017 -2.564 6 HG3 GLU 1 HG3 GLU 1 1.428 -0.609 -3.887 7 H CYS 2 H CYS 2 3.658 1.158 -2.836 8 HA CYS 2 HA CYS 2 2.375 3.724 -2.916 9 HB2 CYS 2 HB2 CYS 2 4.061 4.340 -4.493 10 HB3 CYS 2 HB3 CYS 2 4.839 3.331 -3.277 11 H ARG 3 H ARG 3 1.261 4.653 -4.660 12 HA ARG 3 HA ARG 3 -0.160 2.698 -6.313 13 HB2 ARG 3 HB2 ARG 3 -0.778 5.620 -5.842 14 HB3 ARG 3 HB3 ARG 3 -1.800 4.463 -6.683 15 HG2 ARG 3 HG2 ARG 3 -1.194 3.429 -4.102 16 HG3 ARG 3 HG3 ARG 3 -1.756 5.093 -3.934 17 HD2 ARG 3 HD2 ARG 3 -3.680 3.711 -3.833 18 HD3 ARG 3 HD3 ARG 3 -3.688 4.475 -5.422 19 HE ARG 3 HE ARG 3 -3.546 2.400 -6.352 20 HH11 ARG 3 HH11 ARG 3 -2.432 2.216 -3.059 21 HH12 ARG 3 HH12 ARG 3 -2.243 0.494 -3.081 22 HH21 ARG 3 HH21 ARG 3 -3.301 0.133 -6.394 23 HH22 ARG 3 HH22 ARG 3 -2.737 -0.690 -4.979 24 H TYR 4 H TYR 4 -0.591 3.193 -8.568 25 HA TYR 4 HA TYR 4 1.726 4.482 -9.821 26 HB2 TYR 4 HB2 TYR 4 1.063 3.223 -11.848 27 HB3 TYR 4 HB3 TYR 4 1.370 2.169 -10.472 28 HD1 TYR 4 HD2 TYR 4 -0.461 0.981 -9.380 29 HD2 TYR 4 HD1 TYR 4 -1.167 3.469 -12.759 30 HE1 TYR 4 HE2 TYR 4 -2.681 -0.041 -9.662 31 HE2 TYR 4 HE1 TYR 4 -3.388 2.455 -13.050 32 HH TYR 4 HH TYR 4 -4.481 -0.201 -10.973 33 H TRP 5 H TRP 5 0.867 5.088 -12.285 34 HA TRP 5 HA TRP 5 -0.292 7.575 -12.064 35 HB2 TRP 5 HB2 TRP 5 0.896 6.477 -14.076 36 HB3 TRP 5 HB3 TRP 5 -0.701 5.876 -14.515 37 HD1 TRP 5 HD1 TRP 5 0.332 9.410 -13.276 38 HE1 TRP 5 HE1 TRP 5 -0.512 11.126 -14.999 39 HE3 TRP 5 HE3 TRP 5 -1.639 6.193 -16.726 40 HZ2 TRP 5 HZ2 TRP 5 -1.838 11.117 -17.491 41 HZ3 TRP 5 HZ3 TRP 5 -2.677 7.128 -18.751 42 HH2 TRP 5 HH2 TRP 5 -2.774 9.539 -19.124 43 H LEU 6 H LEU 6 -2.314 8.378 -11.961 44 HA LEU 6 HA LEU 6 -4.560 8.449 -11.609 45 HB2 LEU 6 HB2 LEU 6 -4.771 6.080 -13.441 46 HB3 LEU 6 HB3 LEU 6 -5.940 7.374 -13.185 47 HG LEU 6 HG LEU 6 -3.347 7.506 -14.711 48 HD11 LEU 6 HD11 LEU 6 -5.244 6.553 -15.911 49 HD12 LEU 6 HD12 LEU 6 -4.805 8.130 -16.565 50 HD13 LEU 6 HD13 LEU 6 -6.215 7.971 -15.517 51 HD21 LEU 6 HD21 LEU 6 -4.278 9.909 -15.151 52 HD22 LEU 6 HD22 LEU 6 -3.306 9.579 -13.716 53 HD23 LEU 6 HD23 LEU 6 -5.063 9.673 -13.589 54 H GLY 7 H GLY 7 -2.846 6.613 -9.986 55 HA2 GLY 7 HA2 GLY 7 -4.396 4.302 -9.355 56 HA3 GLY 7 HA3 GLY 7 -3.072 4.956 -8.402 57 H GLY 8 H GLY 8 -4.121 7.528 -7.915 58 HA2 GLY 8 HA2 GLY 8 -6.028 8.572 -6.899 59 HA3 GLY 8 HA3 GLY 8 -6.620 6.976 -6.462 60 H CYS 9 H CYS 9 -4.235 9.451 -5.716 61 HA CYS 9 HA CYS 9 -3.291 8.108 -3.354 62 HB2 CYS 9 HB2 CYS 9 -1.920 10.048 -3.002 63 HB3 CYS 9 HB3 CYS 9 -1.894 9.676 -4.722 64 H SER 10 H SER 10 -3.152 9.968 -1.412 65 HA SER 10 HA SER 10 -5.718 11.186 -0.927 66 HB2 SER 10 HB2 SER 10 -5.840 8.637 -0.336 67 HB3 SER 10 HB3 SER 10 -4.921 9.114 1.091 68 HG SER 10 HG SER 10 -7.531 9.346 0.666 69 H ALA 11 H ALA 11 -5.625 11.555 1.765 70 HA ALA 11 HA ALA 11 -3.549 13.498 2.024 71 HB1 ALA 11 HB1 ALA 11 -5.498 14.142 3.083 72 HB2 ALA 11 HB2 ALA 11 -5.771 12.545 3.781 73 HB3 ALA 11 HB3 ALA 11 -4.509 13.589 4.435 74 H GLY 12 H GLY 12 -3.884 10.175 2.893 75 HA2 GLY 12 HA2 GLY 12 -1.334 10.346 4.377 76 HA3 GLY 12 HA3 GLY 12 -2.636 9.277 4.877 77 H GLN 13 H GLN 13 -2.100 9.671 1.497 78 HA GLN 13 HA GLN 13 -0.938 6.969 1.406 79 HB2 GLN 13 HB2 GLN 13 -3.003 8.335 -0.180 80 HB3 GLN 13 HB3 GLN 13 -1.830 7.438 -1.134 81 HG2 GLN 13 HG2 GLN 13 -2.302 5.458 0.334 82 HG3 GLN 13 HG3 GLN 13 -3.635 6.384 1.022 83 HE21 GLN 13 HE21 GLN 13 -2.411 5.973 -2.281 84 HE22 GLN 13 HE22 GLN 13 -3.913 5.452 -2.957 85 H THR 14 H THR 14 0.259 6.641 -0.808 86 HA THR 14 HA THR 14 1.909 8.986 -1.429 87 HB THR 14 HB THR 14 3.298 6.357 -1.198 88 HG1 THR 14 HG1 THR 14 2.925 6.274 0.876 89 HG21 THR 14 HG21 THR 14 3.968 9.232 -1.253 90 HG22 THR 14 HG22 THR 14 4.848 7.850 -1.903 91 HG23 THR 14 HG23 THR 14 4.952 8.233 -0.185 92 H CYS 15 H CYS 15 3.323 8.564 -3.375 93 HA CYS 15 HA CYS 15 1.953 6.775 -5.274 94 HB2 CYS 15 HB2 CYS 15 3.074 9.535 -5.801 95 HB3 CYS 15 HB3 CYS 15 2.450 8.451 -7.041 96 H CYS 16 H CYS 16 3.209 5.596 -6.660 97 HA CYS 16 HA CYS 16 5.771 4.864 -5.907 98 HB2 CYS 16 HB2 CYS 16 4.453 4.656 -8.621 99 HB3 CYS 16 HB3 CYS 16 5.942 3.830 -8.175 100 H LYS 17 H LYS 17 7.684 4.957 -7.556 101 HA LYS 17 HA LYS 17 8.642 7.593 -7.583 102 HB2 LYS 17 HB2 LYS 17 9.885 5.282 -7.717 103 HB3 LYS 17 HB3 LYS 17 9.744 5.531 -9.452 104 HG2 LYS 17 HG2 LYS 17 11.839 6.389 -8.917 105 HG3 LYS 17 HG3 LYS 17 10.807 7.817 -9.027 106 HD2 LYS 17 HD2 LYS 17 11.602 8.357 -7.009 107 HD3 LYS 17 HD3 LYS 17 10.565 7.072 -6.386 108 HE2 LYS 17 HE2 LYS 17 12.432 6.150 -5.584 109 HE3 LYS 17 HE3 LYS 17 12.805 5.719 -7.252 110 HZ1 LYS 17 HZ1 LYS 17 13.793 8.026 -5.690 111 HZ2 LYS 17 HZ2 LYS 17 13.873 8.004 -7.379 112 HZ3 LYS 17 HZ3 LYS 17 14.689 6.827 -6.479 113 H HIS 18 H HIS 18 9.242 8.914 -9.415 114 HA HIS 18 HA HIS 18 8.791 10.053 -11.332 115 HB2 HIS 18 HB2 HIS 18 8.458 7.220 -12.076 116 HB3 HIS 18 HB3 HIS 18 7.653 8.365 -13.144 117 HD1 HIS 18 HD1 HIS 18 9.112 8.661 -15.114 118 HD2 HIS 18 HD2 HIS 18 11.295 8.551 -11.580 119 HE1 HIS 18 HE1 HIS 18 11.499 9.082 -15.785 120 H LEU 19 H LEU 19 6.692 9.509 -9.210 121 HA LEU 19 HA LEU 19 4.458 10.617 -10.737 122 HB2 LEU 19 HB2 LEU 19 4.196 8.312 -8.811 123 HB3 LEU 19 HB3 LEU 19 2.856 9.171 -9.568 124 HG LEU 19 HG LEU 19 4.870 7.899 -11.346 125 HD11 LEU 19 HD11 LEU 19 4.661 5.952 -10.232 126 HD12 LEU 19 HD12 LEU 19 3.119 5.872 -11.083 127 HD13 LEU 19 HD13 LEU 19 3.178 6.450 -9.418 128 HD21 LEU 19 HD21 LEU 19 3.139 9.110 -12.414 129 HD22 LEU 19 HD22 LEU 19 1.899 8.377 -11.395 130 HD23 LEU 19 HD23 LEU 19 2.739 7.402 -12.601 131 H VAL 20 H VAL 20 2.841 11.665 -9.364 132 HA VAL 20 HA VAL 20 3.737 12.310 -6.655 133 HB VAL 20 HB VAL 20 3.213 14.747 -7.108 134 HG11 VAL 20 HG11 VAL 20 5.578 13.675 -8.635 135 HG12 VAL 20 HG12 VAL 20 5.429 15.241 -7.834 136 HG13 VAL 20 HG13 VAL 20 5.507 13.761 -6.876 137 HG21 VAL 20 HG21 VAL 20 2.553 15.425 -9.120 138 HG22 VAL 20 HG22 VAL 20 3.935 14.649 -9.892 139 HG23 VAL 20 HG23 VAL 20 2.456 13.733 -9.605 140 H CYS 21 H CYS 21 2.105 12.818 -5.238 141 HA CYS 21 HA CYS 21 -0.510 11.935 -5.910 142 HB2 CYS 21 HB2 CYS 21 0.272 11.619 -3.662 143 HB3 CYS 21 HB3 CYS 21 0.585 13.341 -3.471 144 H SER 22 H SER 22 -1.446 13.167 -7.490 145 HA SER 22 HA SER 22 -1.450 16.028 -7.421 146 HB2 SER 22 HB2 SER 22 -1.674 14.458 -9.476 147 HB3 SER 22 HB3 SER 22 -3.380 14.380 -9.037 148 HG SER 22 HG SER 22 -2.103 16.299 -10.366 149 H ARG 23 H ARG 23 -2.439 16.918 -5.694 150 HA ARG 23 HA ARG 23 -4.805 15.882 -4.507 151 HB2 ARG 23 HB2 ARG 23 -3.677 18.674 -4.248 152 HB3 ARG 23 HB3 ARG 23 -4.782 17.875 -3.137 153 HG2 ARG 23 HG2 ARG 23 -3.044 16.240 -2.591 154 HG3 ARG 23 HG3 ARG 23 -1.937 17.061 -3.692 155 HD2 ARG 23 HD2 ARG 23 -2.475 19.159 -2.270 156 HD3 ARG 23 HD3 ARG 23 -3.043 17.996 -1.073 157 HE ARG 23 HE ARG 23 -0.868 17.491 -0.603 158 HH11 ARG 23 HH11 ARG 23 -1.008 19.064 -3.706 159 HH12 ARG 23 HH12 ARG 23 0.713 19.162 -3.880 160 HH21 ARG 23 HH21 ARG 23 1.399 17.614 -0.821 161 HH22 ARG 23 HH22 ARG 23 2.081 18.335 -2.239 162 H ARG 24 H ARG 24 -4.219 17.861 -7.229 163 HA ARG 24 HA ARG 24 -6.835 19.113 -7.198 164 HB2 ARG 24 HB2 ARG 24 -4.510 19.204 -9.112 165 HB3 ARG 24 HB3 ARG 24 -6.059 19.947 -9.488 166 HG2 ARG 24 HG2 ARG 24 -5.809 21.232 -7.318 167 HG3 ARG 24 HG3 ARG 24 -4.139 20.663 -7.296 168 HD2 ARG 24 HD2 ARG 24 -4.746 21.693 -9.890 169 HD3 ARG 24 HD3 ARG 24 -5.215 22.881 -8.675 170 HE ARG 24 HE ARG 24 -2.551 22.094 -9.385 171 HH11 ARG 24 HH11 ARG 24 -4.557 23.376 -6.846 172 HH12 ARG 24 HH12 ARG 24 -3.250 24.175 -6.038 173 HH21 ARG 24 HH21 ARG 24 -0.821 23.141 -8.330 174 HH22 ARG 24 HH22 ARG 24 -1.125 24.041 -6.883 175 H HIS 25 H HIS 25 -5.100 16.685 -9.116 176 HA HIS 25 HA HIS 25 -7.377 16.121 -10.773 177 HB2 HIS 25 HB2 HIS 25 -4.629 14.966 -10.471 178 HB3 HIS 25 HB3 HIS 25 -5.854 14.067 -11.362 179 HD1 HIS 25 HD1 HIS 25 -6.522 14.946 -13.668 180 HD2 HIS 25 HD2 HIS 25 -3.771 17.361 -11.702 181 HE1 HIS 25 HE1 HIS 25 -5.699 16.575 -15.399 182 H GLY 26 H GLY 26 -6.025 14.860 -7.816 183 HA2 GLY 26 HA2 GLY 26 -7.211 13.600 -6.231 184 HA3 GLY 26 HA3 GLY 26 -8.405 13.215 -7.462 185 H TRP 27 H TRP 27 -5.159 12.796 -8.426 186 HA TRP 27 HA TRP 27 -4.880 10.090 -7.501 187 HB2 TRP 27 HB2 TRP 27 -4.903 9.051 -9.739 188 HB3 TRP 27 HB3 TRP 27 -6.474 9.722 -9.311 189 HD1 TRP 27 HD1 TRP 27 -3.348 11.075 -11.200 190 HE1 TRP 27 HE1 TRP 27 -4.180 12.340 -13.281 191 HE3 TRP 27 HE3 TRP 27 -8.383 10.467 -10.560 192 HZ2 TRP 27 HZ2 TRP 27 -6.645 12.994 -14.492 193 HZ3 TRP 27 HZ3 TRP 27 -9.910 11.444 -12.224 194 HH2 TRP 27 HH2 TRP 27 -9.057 12.681 -14.148 195 H CYS 28 H CYS 28 -2.878 9.075 -8.333 196 HA CYS 28 HA CYS 28 -0.714 10.885 -8.218 197 HB2 CYS 28 HB2 CYS 28 -0.722 7.997 -9.121 198 HB3 CYS 28 HB3 CYS 28 0.698 8.925 -8.648 199 H VAL 29 H VAL 29 0.250 12.033 -9.755 200 HA VAL 29 HA VAL 29 -0.293 11.334 -12.567 201 HB VAL 29 HB VAL 29 0.125 13.737 -13.078 202 HG11 VAL 29 HG11 VAL 29 -2.043 14.485 -11.728 203 HG12 VAL 29 HG12 VAL 29 -2.120 13.373 -13.096 204 HG13 VAL 29 HG13 VAL 29 -2.145 12.747 -11.447 205 HG21 VAL 29 HG21 VAL 29 -0.059 15.329 -11.150 206 HG22 VAL 29 HG22 VAL 29 0.182 13.954 -10.073 207 HG23 VAL 29 HG23 VAL 29 1.447 14.414 -11.212 208 H TRP 30 H TRP 30 1.410 11.972 -14.111 209 HA TRP 30 HA TRP 30 3.888 10.870 -13.437 210 HB2 TRP 30 HB2 TRP 30 3.099 12.686 -15.720 211 HB3 TRP 30 HB3 TRP 30 4.670 11.900 -15.599 212 HD1 TRP 30 HD1 TRP 30 1.721 11.441 -17.472 213 HE1 TRP 30 HE1 TRP 30 1.259 8.976 -18.050 214 HE3 TRP 30 HE3 TRP 30 4.816 9.213 -14.066 215 HZ2 TRP 30 HZ2 TRP 30 2.095 6.425 -17.178 216 HZ3 TRP 30 HZ3 TRP 30 4.926 6.756 -14.003 217 HH2 TRP 30 HH2 TRP 30 3.592 5.392 -15.527 218 H ASP 31 H ASP 31 5.606 11.654 -12.411 219 HA ASP 31 HA ASP 31 5.608 14.397 -11.510 220 HB2 ASP 31 HB2 ASP 31 6.298 12.470 -10.059 221 HB3 ASP 31 HB3 ASP 31 7.722 12.279 -11.079 222 H GLY 32 H GLY 32 6.569 16.037 -12.506 223 HA2 GLY 32 HA2 GLY 32 8.659 16.916 -13.440 224 HA3 GLY 32 HA3 GLY 32 8.779 15.430 -14.371 225 H THR 33 H THR 33 5.765 15.647 -14.809 226 HA THR 33 HA THR 33 5.879 17.705 -16.918 227 HB THR 33 HB THR 33 5.899 15.620 -18.051 228 HG1 THR 33 HG1 THR 33 4.341 16.276 -19.314 229 HG21 THR 33 HG21 THR 33 3.700 14.804 -16.156 230 HG22 THR 33 HG22 THR 33 5.305 14.091 -16.319 231 HG23 THR 33 HG23 THR 33 4.118 13.897 -17.608 232 H PHE 34 H PHE 34 3.958 16.112 -14.461 233 HA PHE 34 HA PHE 34 1.448 17.150 -14.940 234 HB2 PHE 34 HB2 PHE 34 0.939 16.705 -12.663 235 HB3 PHE 34 HB3 PHE 34 2.144 15.509 -13.128 236 HD1 PHE 34 HD1 PHE 34 4.630 16.194 -12.636 237 HD2 PHE 34 HD2 PHE 34 1.227 17.865 -10.701 238 HE1 PHE 34 HE1 PHE 34 6.047 16.886 -10.748 239 HE2 PHE 34 HE2 PHE 34 2.639 18.561 -8.811 240 HZ PHE 34 HZ PHE 34 5.053 18.073 -8.833 241 H SER 35 H SER 35 0.330 18.861 -13.589 242 HA SER 35 HA SER 35 1.591 21.367 -14.087 243 HB2 SER 35 HB2 SER 35 -1.019 20.517 -12.873 244 HB3 SER 35 HB3 SER 35 -0.496 22.197 -12.745 245 HG SER 35 HG SER 35 -0.783 22.463 -14.838 Start of MODEL 19 1 H1 GLU 1 H GLU 1 0.269 0.346 -0.232 2 HA GLU 1 HA GLU 1 2.977 -0.129 -0.951 3 HB2 GLU 1 HB2 GLU 1 0.878 -1.734 -2.252 4 HB3 GLU 1 HB3 GLU 1 1.978 -0.926 -3.360 5 HG2 GLU 1 HG2 GLU 1 3.354 -2.239 -1.162 6 HG3 GLU 1 HG3 GLU 1 2.394 -3.348 -2.140 7 H CYS 2 H CYS 2 3.500 0.953 -3.096 8 HA CYS 2 HA CYS 2 2.287 3.554 -3.091 9 HB2 CYS 2 HB2 CYS 2 3.988 4.176 -4.649 10 HB3 CYS 2 HB3 CYS 2 4.739 3.107 -3.469 11 H ARG 3 H ARG 3 1.197 4.569 -4.801 12 HA ARG 3 HA ARG 3 -0.278 2.709 -6.514 13 HB2 ARG 3 HB2 ARG 3 -0.816 5.632 -5.962 14 HB3 ARG 3 HB3 ARG 3 -1.875 4.520 -6.819 15 HG2 ARG 3 HG2 ARG 3 -1.285 3.402 -4.275 16 HG3 ARG 3 HG3 ARG 3 -1.777 5.083 -4.051 17 HD2 ARG 3 HD2 ARG 3 -3.719 3.650 -3.965 18 HD3 ARG 3 HD3 ARG 3 -3.782 4.646 -5.418 19 HE ARG 3 HE ARG 3 -3.643 2.745 -6.686 20 HH11 ARG 3 HH11 ARG 3 -2.735 2.003 -3.408 21 HH12 ARG 3 HH12 ARG 3 -2.677 0.292 -3.674 22 HH21 ARG 3 HH21 ARG 3 -3.570 0.495 -7.049 23 HH22 ARG 3 HH22 ARG 3 -3.151 -0.565 -5.746 24 H TYR 4 H TYR 4 -0.691 3.279 -8.751 25 HA TYR 4 HA TYR 4 1.657 4.547 -9.967 26 HB2 TYR 4 HB2 TYR 4 0.960 3.368 -12.031 27 HB3 TYR 4 HB3 TYR 4 1.245 2.266 -10.688 28 HD1 TYR 4 HD2 TYR 4 -0.610 1.085 -9.632 29 HD2 TYR 4 HD1 TYR 4 -1.267 3.698 -12.925 30 HE1 TYR 4 HE2 TYR 4 -2.853 0.125 -9.939 31 HE2 TYR 4 HE1 TYR 4 -3.512 2.745 -13.241 32 HH TYR 4 HH TYR 4 -4.647 0.028 -11.278 33 H TRP 5 H TRP 5 0.817 5.252 -12.409 34 HA TRP 5 HA TRP 5 -0.283 7.758 -12.110 35 HB2 TRP 5 HB2 TRP 5 0.885 6.696 -14.154 36 HB3 TRP 5 HB3 TRP 5 -0.725 6.150 -14.616 37 HD1 TRP 5 HD1 TRP 5 0.392 9.615 -13.258 38 HE1 TRP 5 HE1 TRP 5 -0.401 11.407 -14.926 39 HE3 TRP 5 HE3 TRP 5 -1.644 6.564 -16.819 40 HZ2 TRP 5 HZ2 TRP 5 -1.717 11.514 -17.421 41 HZ3 TRP 5 HZ3 TRP 5 -2.651 7.591 -18.816 42 HH2 TRP 5 HH2 TRP 5 -2.686 10.014 -19.109 43 H LEU 6 H LEU 6 -2.284 8.603 -11.981 44 HA LEU 6 HA LEU 6 -4.530 8.719 -11.641 45 HB2 LEU 6 HB2 LEU 6 -4.787 6.403 -13.535 46 HB3 LEU 6 HB3 LEU 6 -5.931 7.712 -13.246 47 HG LEU 6 HG LEU 6 -3.331 7.837 -14.762 48 HD11 LEU 6 HD11 LEU 6 -4.766 8.526 -16.605 49 HD12 LEU 6 HD12 LEU 6 -6.185 8.384 -15.568 50 HD13 LEU 6 HD13 LEU 6 -5.250 6.947 -15.984 51 HD21 LEU 6 HD21 LEU 6 -4.182 10.264 -15.142 52 HD22 LEU 6 HD22 LEU 6 -3.273 9.876 -13.681 53 HD23 LEU 6 HD23 LEU 6 -5.031 10.012 -13.617 54 H GLY 7 H GLY 7 -2.862 6.799 -10.064 55 HA2 GLY 7 HA2 GLY 7 -4.470 4.512 -9.495 56 HA3 GLY 7 HA3 GLY 7 -3.130 5.107 -8.525 57 H GLY 8 H GLY 8 -4.119 7.693 -7.975 58 HA2 GLY 8 HA2 GLY 8 -5.994 8.758 -6.927 59 HA3 GLY 8 HA3 GLY 8 -6.634 7.167 -6.541 60 H CYS 9 H CYS 9 -4.181 9.548 -5.713 61 HA CYS 9 HA CYS 9 -3.286 8.108 -3.390 62 HB2 CYS 9 HB2 CYS 9 -1.875 10.017 -2.966 63 HB3 CYS 9 HB3 CYS 9 -1.821 9.657 -4.688 64 H SER 10 H SER 10 -3.099 9.905 -1.394 65 HA SER 10 HA SER 10 -5.629 11.184 -0.880 66 HB2 SER 10 HB2 SER 10 -5.835 8.627 -0.367 67 HB3 SER 10 HB3 SER 10 -4.899 9.025 1.073 68 HG SER 10 HG SER 10 -7.504 9.729 0.385 69 H ALA 11 H ALA 11 -5.535 11.469 1.823 70 HA ALA 11 HA ALA 11 -3.400 13.339 2.145 71 HB1 ALA 11 HB1 ALA 11 -5.254 14.070 3.258 72 HB2 ALA 11 HB2 ALA 11 -5.717 12.451 3.783 73 HB3 ALA 11 HB3 ALA 11 -4.394 13.295 4.589 74 H GLY 12 H GLY 12 -3.830 10.003 2.892 75 HA2 GLY 12 HA2 GLY 12 -1.292 10.052 4.406 76 HA3 GLY 12 HA3 GLY 12 -2.628 9.005 4.862 77 H GLN 13 H GLN 13 -2.070 9.487 1.500 78 HA GLN 13 HA GLN 13 -0.977 6.760 1.328 79 HB2 GLN 13 HB2 GLN 13 -2.998 8.230 -0.219 80 HB3 GLN 13 HB3 GLN 13 -1.840 7.343 -1.201 81 HG2 GLN 13 HG2 GLN 13 -2.366 5.321 0.190 82 HG3 GLN 13 HG3 GLN 13 -3.680 6.251 0.907 83 HE21 GLN 13 HE21 GLN 13 -2.450 5.936 -2.405 84 HE22 GLN 13 HE22 GLN 13 -3.961 5.475 -3.105 85 H THR 14 H THR 14 0.211 6.478 -0.906 86 HA THR 14 HA THR 14 1.934 8.791 -1.435 87 HB THR 14 HB THR 14 3.244 6.116 -1.282 88 HG1 THR 14 HG1 THR 14 2.701 7.776 0.974 89 HG21 THR 14 HG21 THR 14 4.842 7.580 -1.941 90 HG22 THR 14 HG22 THR 14 4.952 7.910 -0.212 91 HG23 THR 14 HG23 THR 14 4.001 8.969 -1.253 92 H CYS 15 H CYS 15 3.341 8.401 -3.390 93 HA CYS 15 HA CYS 15 1.930 6.714 -5.352 94 HB2 CYS 15 HB2 CYS 15 3.133 9.457 -5.775 95 HB3 CYS 15 HB3 CYS 15 2.499 8.434 -7.060 96 H CYS 16 H CYS 16 3.157 5.540 -6.767 97 HA CYS 16 HA CYS 16 5.687 4.700 -6.029 98 HB2 CYS 16 HB2 CYS 16 4.371 4.635 -8.751 99 HB3 CYS 16 HB3 CYS 16 5.844 3.760 -8.346 100 H LYS 17 H LYS 17 7.628 4.799 -7.628 101 HA LYS 17 HA LYS 17 8.659 7.405 -7.563 102 HB2 LYS 17 HB2 LYS 17 9.844 5.072 -7.741 103 HB3 LYS 17 HB3 LYS 17 9.728 5.359 -9.472 104 HG2 LYS 17 HG2 LYS 17 11.820 6.183 -8.966 105 HG3 LYS 17 HG3 LYS 17 10.822 7.639 -8.923 106 HD2 LYS 17 HD2 LYS 17 10.956 7.828 -6.642 107 HD3 LYS 17 HD3 LYS 17 11.184 6.093 -6.404 108 HE2 LYS 17 HE2 LYS 17 13.446 6.550 -7.661 109 HE3 LYS 17 HE3 LYS 17 13.176 8.200 -7.103 110 HZ1 LYS 17 HZ1 LYS 17 14.152 7.518 -5.236 111 HZ2 LYS 17 HZ2 LYS 17 13.987 5.879 -5.620 112 HZ3 LYS 17 HZ3 LYS 17 12.706 6.709 -4.889 113 H HIS 18 H HIS 18 9.294 8.785 -9.323 114 HA HIS 18 HA HIS 18 8.919 9.987 -11.218 115 HB2 HIS 18 HB2 HIS 18 7.770 7.465 -12.416 116 HB3 HIS 18 HB3 HIS 18 8.501 8.825 -13.264 117 HD1 HIS 18 HD1 HIS 18 9.428 5.777 -13.418 118 HD2 HIS 18 HD2 HIS 18 11.233 8.806 -11.220 119 HE1 HIS 18 HE1 HIS 18 11.808 5.038 -13.083 120 H LEU 19 H LEU 19 6.767 9.419 -9.146 121 HA LEU 19 HA LEU 19 4.592 10.646 -10.666 122 HB2 LEU 19 HB2 LEU 19 4.233 8.286 -8.824 123 HB3 LEU 19 HB3 LEU 19 2.931 9.206 -9.576 124 HG LEU 19 HG LEU 19 4.950 7.918 -11.345 125 HD11 LEU 19 HD11 LEU 19 3.002 6.007 -11.147 126 HD12 LEU 19 HD12 LEU 19 3.238 6.485 -9.466 127 HD13 LEU 19 HD13 LEU 19 4.607 5.914 -10.421 128 HD21 LEU 19 HD21 LEU 19 2.834 7.557 -12.678 129 HD22 LEU 19 HD22 LEU 19 3.319 9.236 -12.436 130 HD23 LEU 19 HD23 LEU 19 2.011 8.548 -11.473 131 H VAL 20 H VAL 20 3.028 11.754 -9.321 132 HA VAL 20 HA VAL 20 3.889 12.265 -6.566 133 HB VAL 20 HB VAL 20 3.486 14.714 -6.913 134 HG11 VAL 20 HG11 VAL 20 5.740 13.308 -8.315 135 HG12 VAL 20 HG12 VAL 20 5.676 15.066 -8.171 136 HG13 VAL 20 HG13 VAL 20 5.734 14.063 -6.721 137 HG21 VAL 20 HG21 VAL 20 2.196 14.748 -8.904 138 HG22 VAL 20 HG22 VAL 20 3.738 15.512 -9.291 139 HG23 VAL 20 HG23 VAL 20 3.426 13.852 -9.797 140 H CYS 21 H CYS 21 2.254 12.744 -5.148 141 HA CYS 21 HA CYS 21 -0.373 11.955 -5.874 142 HB2 CYS 21 HB2 CYS 21 0.376 11.547 -3.631 143 HB3 CYS 21 HB3 CYS 21 0.731 13.253 -3.380 144 H SER 22 H SER 22 -1.297 13.249 -7.401 145 HA SER 22 HA SER 22 -1.224 16.110 -7.245 146 HB2 SER 22 HB2 SER 22 -1.466 14.611 -9.352 147 HB3 SER 22 HB3 SER 22 -3.178 14.565 -8.931 148 HG SER 22 HG SER 22 -1.701 16.965 -9.237 149 H ARG 23 H ARG 23 -2.208 16.959 -5.492 150 HA ARG 23 HA ARG 23 -4.610 15.938 -4.367 151 HB2 ARG 23 HB2 ARG 23 -3.348 18.661 -3.999 152 HB3 ARG 23 HB3 ARG 23 -4.570 17.938 -2.962 153 HG2 ARG 23 HG2 ARG 23 -3.086 16.595 -1.915 154 HG3 ARG 23 HG3 ARG 23 -2.097 16.378 -3.360 155 HD2 ARG 23 HD2 ARG 23 -0.811 18.186 -2.914 156 HD3 ARG 23 HD3 ARG 23 -2.148 19.096 -2.214 157 HE ARG 23 HE ARG 23 -1.609 17.082 -0.423 158 HH11 ARG 23 HH11 ARG 23 0.152 19.728 -1.844 159 HH12 ARG 23 HH12 ARG 23 1.187 19.947 -0.472 160 HH21 ARG 23 HH21 ARG 23 -0.252 17.360 1.389 161 HH22 ARG 23 HH22 ARG 23 0.957 18.599 1.366 162 H ARG 24 H ARG 24 -3.948 18.000 -7.008 163 HA ARG 24 HA ARG 24 -6.527 19.323 -6.954 164 HB2 ARG 24 HB2 ARG 24 -4.142 19.430 -8.777 165 HB3 ARG 24 HB3 ARG 24 -5.676 20.137 -9.265 166 HG2 ARG 24 HG2 ARG 24 -4.799 20.927 -6.590 167 HG3 ARG 24 HG3 ARG 24 -3.717 21.429 -7.890 168 HD2 ARG 24 HD2 ARG 24 -6.094 22.079 -8.975 169 HD3 ARG 24 HD3 ARG 24 -6.469 22.290 -7.265 170 HE ARG 24 HE ARG 24 -4.834 23.977 -8.879 171 HH11 ARG 24 HH11 ARG 24 -5.273 22.767 -5.645 172 HH12 ARG 24 HH12 ARG 24 -4.515 24.131 -4.892 173 HH21 ARG 24 HH21 ARG 24 -3.835 25.779 -7.899 174 HH22 ARG 24 HH22 ARG 24 -3.699 25.844 -6.175 175 H HIS 25 H HIS 25 -4.861 16.877 -8.903 176 HA HIS 25 HA HIS 25 -7.146 16.441 -10.598 177 HB2 HIS 25 HB2 HIS 25 -4.423 15.228 -10.338 178 HB3 HIS 25 HB3 HIS 25 -5.666 14.356 -11.230 179 HD1 HIS 25 HD1 HIS 25 -6.418 15.342 -13.488 180 HD2 HIS 25 HD2 HIS 25 -3.473 17.561 -11.574 181 HE1 HIS 25 HE1 HIS 25 -5.573 16.967 -15.212 182 H GLY 26 H GLY 26 -5.843 15.063 -7.674 183 HA2 GLY 26 HA2 GLY 26 -7.068 13.786 -6.133 184 HA3 GLY 26 HA3 GLY 26 -8.261 13.463 -7.383 185 H TRP 27 H TRP 27 -5.021 12.998 -8.339 186 HA TRP 27 HA TRP 27 -4.806 10.262 -7.486 187 HB2 TRP 27 HB2 TRP 27 -4.839 9.285 -9.752 188 HB3 TRP 27 HB3 TRP 27 -6.398 9.977 -9.313 189 HD1 TRP 27 HD1 TRP 27 -3.234 11.308 -11.154 190 HE1 TRP 27 HE1 TRP 27 -4.029 12.649 -13.203 191 HE3 TRP 27 HE3 TRP 27 -8.285 10.805 -10.544 192 HZ2 TRP 27 HZ2 TRP 27 -6.473 13.395 -14.401 193 HZ3 TRP 27 HZ3 TRP 27 -9.782 11.863 -12.185 194 HH2 TRP 27 HH2 TRP 27 -8.893 13.131 -14.072 195 H CYS 28 H CYS 28 -2.829 9.218 -8.379 196 HA CYS 28 HA CYS 28 -0.623 10.979 -8.192 197 HB2 CYS 28 HB2 CYS 28 -0.691 8.117 -9.171 198 HB3 CYS 28 HB3 CYS 28 0.746 9.000 -8.667 199 H VAL 29 H VAL 29 0.390 12.132 -9.696 200 HA VAL 29 HA VAL 29 -0.174 11.530 -12.527 201 HB VAL 29 HB VAL 29 0.330 13.933 -12.967 202 HG11 VAL 29 HG11 VAL 29 -1.904 13.862 -13.015 203 HG12 VAL 29 HG12 VAL 29 -1.993 12.857 -11.567 204 HG13 VAL 29 HG13 VAL 29 -1.830 14.607 -11.419 205 HG21 VAL 29 HG21 VAL 29 0.365 14.063 -9.957 206 HG22 VAL 29 HG22 VAL 29 1.663 14.503 -11.068 207 HG23 VAL 29 HG23 VAL 29 0.193 15.475 -10.999 208 H TRP 30 H TRP 30 1.547 12.119 -14.055 209 HA TRP 30 HA TRP 30 3.992 10.936 -13.395 210 HB2 TRP 30 HB2 TRP 30 3.214 12.771 -15.663 211 HB3 TRP 30 HB3 TRP 30 4.799 12.012 -15.547 212 HD1 TRP 30 HD1 TRP 30 1.825 11.509 -17.391 213 HE1 TRP 30 HE1 TRP 30 1.420 9.040 -17.995 214 HE3 TRP 30 HE3 TRP 30 5.040 9.323 -14.071 215 HZ2 TRP 30 HZ2 TRP 30 2.341 6.502 -17.173 216 HZ3 TRP 30 HZ3 TRP 30 5.218 6.869 -14.043 217 HH2 TRP 30 HH2 TRP 30 3.895 5.489 -15.563 218 H ASP 31 H ASP 31 5.570 11.660 -12.144 219 HA ASP 31 HA ASP 31 5.699 14.363 -11.249 220 HB2 ASP 31 HB2 ASP 31 6.418 12.332 -9.929 221 HB3 ASP 31 HB3 ASP 31 7.843 12.255 -10.961 222 H GLY 32 H GLY 32 6.291 15.942 -12.596 223 HA2 GLY 32 HA2 GLY 32 8.503 16.887 -13.415 224 HA3 GLY 32 HA3 GLY 32 8.566 15.439 -14.409 225 H THR 33 H THR 33 5.933 15.276 -15.259 226 HA THR 33 HA THR 33 5.592 17.781 -16.776 227 HB THR 33 HB THR 33 6.519 16.028 -18.229 228 HG1 THR 33 HG1 THR 33 4.491 15.988 -19.670 229 HG21 THR 33 HG21 THR 33 3.979 14.469 -17.977 230 HG22 THR 33 HG22 THR 33 5.291 14.192 -16.831 231 HG23 THR 33 HG23 THR 33 5.560 13.949 -18.557 232 H PHE 34 H PHE 34 4.290 16.513 -14.313 233 HA PHE 34 HA PHE 34 1.696 15.683 -14.876 234 HB2 PHE 34 HB2 PHE 34 1.174 16.610 -12.558 235 HB3 PHE 34 HB3 PHE 34 2.466 15.418 -12.653 236 HD1 PHE 34 HD1 PHE 34 2.029 19.119 -12.847 237 HD2 PHE 34 HD2 PHE 34 4.385 15.849 -11.479 238 HE1 PHE 34 HE1 PHE 34 3.554 20.692 -11.726 239 HE2 PHE 34 HE2 PHE 34 5.913 17.416 -10.355 240 HZ PHE 34 HZ PHE 34 5.498 19.841 -10.477 241 H SER 35 H SER 35 -0.327 16.817 -14.707 242 HA SER 35 HA SER 35 -0.268 19.328 -16.117 243 HB2 SER 35 HB2 SER 35 -2.419 17.431 -15.242 244 HB3 SER 35 HB3 SER 35 -2.851 19.066 -15.741 245 HG SER 35 HG SER 35 -2.636 18.415 -17.715 Start of MODEL 20 1 H1 GLU 1 H GLU 1 0.388 0.162 -0.123 2 HA GLU 1 HA GLU 1 3.266 0.145 -0.743 3 HB2 GLU 1 HB2 GLU 1 1.310 -1.718 -1.614 4 HB3 GLU 1 HB3 GLU 1 1.756 -0.741 -3.006 5 HG2 GLU 1 HG2 GLU 1 3.867 -1.933 -1.262 6 HG3 GLU 1 HG3 GLU 1 3.065 -2.907 -2.493 7 H CYS 2 H CYS 2 3.738 1.167 -2.896 8 HA CYS 2 HA CYS 2 2.482 3.746 -2.988 9 HB2 CYS 2 HB2 CYS 2 4.161 4.330 -4.586 10 HB3 CYS 2 HB3 CYS 2 4.938 3.324 -3.368 11 H ARG 3 H ARG 3 1.362 4.671 -4.730 12 HA ARG 3 HA ARG 3 -0.093 2.718 -6.353 13 HB2 ARG 3 HB2 ARG 3 -0.678 5.649 -5.901 14 HB3 ARG 3 HB3 ARG 3 -1.720 4.496 -6.723 15 HG2 ARG 3 HG2 ARG 3 -1.107 3.469 -4.144 16 HG3 ARG 3 HG3 ARG 3 -1.636 5.144 -3.976 17 HD2 ARG 3 HD2 ARG 3 -3.729 4.710 -4.810 18 HD3 ARG 3 HD3 ARG 3 -3.179 3.334 -5.766 19 HE ARG 3 HE ARG 3 -2.859 2.545 -3.169 20 HH11 ARG 3 HH11 ARG 3 -5.517 3.720 -5.087 21 HH12 ARG 3 HH12 ARG 3 -6.716 2.840 -4.199 22 HH21 ARG 3 HH21 ARG 3 -4.429 1.381 -1.993 23 HH22 ARG 3 HH22 ARG 3 -6.097 1.511 -2.439 24 H TYR 4 H TYR 4 -0.553 3.218 -8.608 25 HA TYR 4 HA TYR 4 1.768 4.471 -9.893 26 HB2 TYR 4 HB2 TYR 4 1.097 3.195 -11.898 27 HB3 TYR 4 HB3 TYR 4 1.375 2.147 -10.511 28 HD1 TYR 4 HD2 TYR 4 -0.502 1.033 -9.398 29 HD2 TYR 4 HD1 TYR 4 -1.105 3.445 -12.851 30 HE1 TYR 4 HE2 TYR 4 -2.738 0.051 -9.686 31 HE2 TYR 4 HE1 TYR 4 -3.343 2.469 -13.148 32 HH TYR 4 HH TYR 4 -4.343 -0.248 -11.919 33 H TRP 5 H TRP 5 0.877 5.049 -12.360 34 HA TRP 5 HA TRP 5 -0.254 7.550 -12.152 35 HB2 TRP 5 HB2 TRP 5 0.894 6.407 -14.168 36 HB3 TRP 5 HB3 TRP 5 -0.719 5.833 -14.579 37 HD1 TRP 5 HD1 TRP 5 0.374 9.360 -13.375 38 HE1 TRP 5 HE1 TRP 5 -0.452 11.075 -15.107 39 HE3 TRP 5 HE3 TRP 5 -1.650 6.146 -16.797 40 HZ2 TRP 5 HZ2 TRP 5 -1.785 11.066 -17.595 41 HZ3 TRP 5 HZ3 TRP 5 -2.682 7.080 -18.826 42 HH2 TRP 5 HH2 TRP 5 -2.748 9.490 -19.214 43 H LEU 6 H LEU 6 -2.264 8.368 -12.008 44 HA LEU 6 HA LEU 6 -4.504 8.464 -11.629 45 HB2 LEU 6 HB2 LEU 6 -4.764 6.085 -13.441 46 HB3 LEU 6 HB3 LEU 6 -5.919 7.390 -13.176 47 HG LEU 6 HG LEU 6 -3.348 7.491 -14.742 48 HD11 LEU 6 HD11 LEU 6 -5.273 6.544 -15.904 49 HD12 LEU 6 HD12 LEU 6 -4.827 8.112 -16.578 50 HD13 LEU 6 HD13 LEU 6 -6.223 7.977 -15.509 51 HD21 LEU 6 HD21 LEU 6 -3.892 9.863 -15.147 52 HD22 LEU 6 HD22 LEU 6 -3.499 9.534 -13.459 53 HD23 LEU 6 HD23 LEU 6 -5.180 9.751 -13.947 54 H GLY 7 H GLY 7 -2.780 6.617 -10.024 55 HA2 GLY 7 HA2 GLY 7 -4.339 4.326 -9.352 56 HA3 GLY 7 HA3 GLY 7 -3.000 4.979 -8.421 57 H GLY 8 H GLY 8 -3.996 7.546 -7.903 58 HA2 GLY 8 HA2 GLY 8 -5.891 8.617 -6.880 59 HA3 GLY 8 HA3 GLY 8 -6.495 7.028 -6.434 60 H CYS 9 H CYS 9 -4.076 9.479 -5.719 61 HA CYS 9 HA CYS 9 -3.112 8.133 -3.370 62 HB2 CYS 9 HB2 CYS 9 -1.748 10.090 -3.020 63 HB3 CYS 9 HB3 CYS 9 -1.715 9.689 -4.735 64 H SER 10 H SER 10 -2.947 9.979 -1.421 65 HA SER 10 HA SER 10 -5.501 11.207 -0.901 66 HB2 SER 10 HB2 SER 10 -5.441 8.582 -0.273 67 HB3 SER 10 HB3 SER 10 -4.787 9.259 1.218 68 HG SER 10 HG SER 10 -7.141 10.275 0.033 69 H ALA 11 H ALA 11 -5.378 11.559 1.792 70 HA ALA 11 HA ALA 11 -3.290 13.490 2.041 71 HB1 ALA 11 HB1 ALA 11 -4.918 12.569 4.370 72 HB2 ALA 11 HB2 ALA 11 -4.345 14.189 3.970 73 HB3 ALA 11 HB3 ALA 11 -5.682 13.479 3.066 74 H GLY 12 H GLY 12 -3.628 10.163 2.889 75 HA2 GLY 12 HA2 GLY 12 -1.061 10.314 4.345 76 HA3 GLY 12 HA3 GLY 12 -2.362 9.247 4.854 77 H GLN 13 H GLN 13 -1.866 9.659 1.471 78 HA GLN 13 HA GLN 13 -0.707 6.956 1.349 79 HB2 GLN 13 HB2 GLN 13 -2.795 8.332 -0.205 80 HB3 GLN 13 HB3 GLN 13 -1.642 7.421 -1.171 81 HG2 GLN 13 HG2 GLN 13 -2.107 5.451 0.306 82 HG3 GLN 13 HG3 GLN 13 -3.417 6.389 1.022 83 HE21 GLN 13 HE21 GLN 13 -2.268 5.966 -2.307 84 HE22 GLN 13 HE22 GLN 13 -3.789 5.457 -2.949 85 H THR 14 H THR 14 0.458 6.634 -0.878 86 HA THR 14 HA THR 14 2.087 8.985 -1.530 87 HB THR 14 HB THR 14 3.493 6.364 -1.305 88 HG1 THR 14 HG1 THR 14 3.534 6.405 0.831 89 HG21 THR 14 HG21 THR 14 5.021 7.863 -2.049 90 HG22 THR 14 HG22 THR 14 5.158 8.249 -0.333 91 HG23 THR 14 HG23 THR 14 4.148 9.243 -1.383 92 H CYS 15 H CYS 15 3.472 8.567 -3.495 93 HA CYS 15 HA CYS 15 2.076 6.771 -5.369 94 HB2 CYS 15 HB2 CYS 15 3.221 9.516 -5.922 95 HB3 CYS 15 HB3 CYS 15 2.567 8.434 -7.147 96 H CYS 16 H CYS 16 3.306 5.571 -6.758 97 HA CYS 16 HA CYS 16 5.871 4.823 -6.028 98 HB2 CYS 16 HB2 CYS 16 4.517 4.600 -8.723 99 HB3 CYS 16 HB3 CYS 16 6.005 3.765 -8.287 100 H LYS 17 H LYS 17 7.761 4.884 -7.709 101 HA LYS 17 HA LYS 17 8.743 7.511 -7.771 102 HB2 LYS 17 HB2 LYS 17 9.980 5.211 -7.884 103 HB3 LYS 17 HB3 LYS 17 9.786 5.395 -9.622 104 HG2 LYS 17 HG2 LYS 17 11.648 6.591 -9.625 105 HG3 LYS 17 HG3 LYS 17 10.777 7.847 -8.740 106 HD2 LYS 17 HD2 LYS 17 11.996 5.527 -7.289 107 HD3 LYS 17 HD3 LYS 17 12.986 6.910 -7.760 108 HE2 LYS 17 HE2 LYS 17 12.342 7.700 -5.746 109 HE3 LYS 17 HE3 LYS 17 10.903 8.190 -6.640 110 HZ1 LYS 17 HZ1 LYS 17 9.792 7.013 -5.133 111 HZ2 LYS 17 HZ2 LYS 17 11.181 6.232 -4.565 112 HZ3 LYS 17 HZ3 LYS 17 10.365 5.628 -5.918 113 H HIS 18 H HIS 18 9.330 8.809 -9.625 114 HA HIS 18 HA HIS 18 8.861 9.936 -11.545 115 HB2 HIS 18 HB2 HIS 18 8.486 7.099 -12.259 116 HB3 HIS 18 HB3 HIS 18 7.684 8.246 -13.327 117 HD1 HIS 18 HD1 HIS 18 9.100 8.741 -15.277 118 HD2 HIS 18 HD2 HIS 18 11.370 8.162 -11.846 119 HE1 HIS 18 HE1 HIS 18 11.490 9.067 -15.989 120 H LEU 19 H LEU 19 6.790 9.436 -9.388 121 HA LEU 19 HA LEU 19 4.543 10.546 -10.894 122 HB2 LEU 19 HB2 LEU 19 4.288 8.269 -8.935 123 HB3 LEU 19 HB3 LEU 19 2.946 9.129 -9.686 124 HG LEU 19 HG LEU 19 4.928 7.809 -11.467 125 HD11 LEU 19 HD11 LEU 19 4.679 5.831 -10.469 126 HD12 LEU 19 HD12 LEU 19 3.028 5.862 -11.086 127 HD13 LEU 19 HD13 LEU 19 3.366 6.414 -9.445 128 HD21 LEU 19 HD21 LEU 19 1.964 8.330 -11.502 129 HD22 LEU 19 HD22 LEU 19 2.782 7.329 -12.702 130 HD23 LEU 19 HD23 LEU 19 3.207 9.034 -12.538 131 H VAL 20 H VAL 20 2.938 11.597 -9.489 132 HA VAL 20 HA VAL 20 3.883 12.271 -6.807 133 HB VAL 20 HB VAL 20 3.388 14.709 -7.274 134 HG11 VAL 20 HG11 VAL 20 5.725 13.409 -8.669 135 HG12 VAL 20 HG12 VAL 20 5.609 15.124 -8.273 136 HG13 VAL 20 HG13 VAL 20 5.655 13.922 -6.983 137 HG21 VAL 20 HG21 VAL 20 2.584 13.684 -9.751 138 HG22 VAL 20 HG22 VAL 20 2.706 15.380 -9.282 139 HG23 VAL 20 HG23 VAL 20 4.069 14.582 -10.066 140 H CYS 21 H CYS 21 2.273 12.792 -5.374 141 HA CYS 21 HA CYS 21 -0.360 11.945 -6.014 142 HB2 CYS 21 HB2 CYS 21 0.444 11.631 -3.773 143 HB3 CYS 21 HB3 CYS 21 0.780 13.350 -3.594 144 H SER 22 H SER 22 -1.302 13.180 -7.586 145 HA SER 22 HA SER 22 -1.267 16.041 -7.533 146 HB2 SER 22 HB2 SER 22 -1.532 14.468 -9.578 147 HB3 SER 22 HB3 SER 22 -3.234 14.407 -9.119 148 HG SER 22 HG SER 22 -2.844 16.881 -9.077 149 H ARG 23 H ARG 23 -2.216 16.933 -5.779 150 HA ARG 23 HA ARG 23 -4.594 15.938 -4.580 151 HB2 ARG 23 HB2 ARG 23 -3.269 18.644 -4.319 152 HB3 ARG 23 HB3 ARG 23 -4.549 18.037 -3.278 153 HG2 ARG 23 HG2 ARG 23 -3.148 16.377 -2.356 154 HG3 ARG 23 HG3 ARG 23 -1.916 16.630 -3.594 155 HD2 ARG 23 HD2 ARG 23 -1.178 18.600 -2.646 156 HD3 ARG 23 HD3 ARG 23 -2.707 18.896 -1.820 157 HE ARG 23 HE ARG 23 -0.470 17.430 -0.819 158 HH11 ARG 23 HH11 ARG 23 -3.940 17.689 -0.710 159 HH12 ARG 23 HH12 ARG 23 -4.074 16.986 0.868 160 HH21 ARG 23 HH21 ARG 23 -0.633 16.503 1.259 161 HH22 ARG 23 HH22 ARG 23 -2.192 16.313 1.987 162 H ARG 24 H ARG 24 -4.010 17.846 -7.330 163 HA ARG 24 HA ARG 24 -6.592 19.181 -7.256 164 HB2 ARG 24 HB2 ARG 24 -4.260 19.246 -9.156 165 HB3 ARG 24 HB3 ARG 24 -5.804 19.978 -9.573 166 HG2 ARG 24 HG2 ARG 24 -5.294 20.993 -7.070 167 HG3 ARG 24 HG3 ARG 24 -3.697 20.935 -7.818 168 HD2 ARG 24 HD2 ARG 24 -5.363 21.917 -9.811 169 HD3 ARG 24 HD3 ARG 24 -5.928 22.707 -8.340 170 HE ARG 24 HE ARG 24 -3.506 23.232 -9.732 171 HH11 ARG 24 HH11 ARG 24 -4.912 23.112 -6.550 172 HH12 ARG 24 HH12 ARG 24 -3.806 24.263 -5.876 173 HH21 ARG 24 HH21 ARG 24 -2.045 24.749 -8.857 174 HH22 ARG 24 HH22 ARG 24 -2.177 25.194 -7.189 175 H HIS 25 H HIS 25 -4.932 16.678 -9.132 176 HA HIS 25 HA HIS 25 -7.236 16.177 -10.790 177 HB2 HIS 25 HB2 HIS 25 -4.495 15.001 -10.539 178 HB3 HIS 25 HB3 HIS 25 -5.742 14.094 -11.390 179 HD1 HIS 25 HD1 HIS 25 -6.502 14.984 -13.675 180 HD2 HIS 25 HD2 HIS 25 -3.621 17.343 -11.833 181 HE1 HIS 25 HE1 HIS 25 -5.707 16.580 -15.448 182 H GLY 26 H GLY 26 -5.877 14.907 -7.845 183 HA2 GLY 26 HA2 GLY 26 -7.063 13.660 -6.251 184 HA3 GLY 26 HA3 GLY 26 -8.266 13.280 -7.475 185 H TRP 27 H TRP 27 -5.033 12.834 -8.462 186 HA TRP 27 HA TRP 27 -4.761 10.132 -7.525 187 HB2 TRP 27 HB2 TRP 27 -4.812 9.081 -9.757 188 HB3 TRP 27 HB3 TRP 27 -6.375 9.762 -9.316 189 HD1 TRP 27 HD1 TRP 27 -3.262 11.078 -11.252 190 HE1 TRP 27 HE1 TRP 27 -4.110 12.341 -13.328 191 HE3 TRP 27 HE3 TRP 27 -8.294 10.526 -10.539 192 HZ2 TRP 27 HZ2 TRP 27 -6.584 13.014 -14.507 193 HZ3 TRP 27 HZ3 TRP 27 -9.834 11.510 -12.187 194 HH2 TRP 27 HH2 TRP 27 -8.995 12.729 -14.129 195 H CYS 28 H CYS 28 -2.777 9.096 -8.390 196 HA CYS 28 HA CYS 28 -0.600 10.897 -8.303 197 HB2 CYS 28 HB2 CYS 28 -0.634 8.000 -9.177 198 HB3 CYS 28 HB3 CYS 28 0.796 8.925 -8.730 199 H VAL 29 H VAL 29 0.363 12.019 -9.862 200 HA VAL 29 HA VAL 29 -0.220 11.300 -12.661 201 HB VAL 29 HB VAL 29 0.217 13.694 -13.198 202 HG11 VAL 29 HG11 VAL 29 -2.049 12.698 -11.591 203 HG12 VAL 29 HG12 VAL 29 -1.931 14.450 -11.771 204 HG13 VAL 29 HG13 VAL 29 -2.026 13.420 -13.200 205 HG21 VAL 29 HG21 VAL 29 1.564 14.376 -11.353 206 HG22 VAL 29 HG22 VAL 29 0.068 15.306 -11.281 207 HG23 VAL 29 HG23 VAL 29 0.308 13.937 -10.196 208 H TRP 30 H TRP 30 1.471 11.901 -14.230 209 HA TRP 30 HA TRP 30 3.944 10.780 -13.580 210 HB2 TRP 30 HB2 TRP 30 3.153 12.600 -15.859 211 HB3 TRP 30 HB3 TRP 30 4.715 11.792 -15.753 212 HD1 TRP 30 HD1 TRP 30 1.739 11.371 -17.592 213 HE1 TRP 30 HE1 TRP 30 1.235 8.911 -18.159 214 HE3 TRP 30 HE3 TRP 30 4.839 9.108 -14.215 215 HZ2 TRP 30 HZ2 TRP 30 2.044 6.350 -17.289 216 HZ3 TRP 30 HZ3 TRP 30 4.914 6.649 -14.146 217 HH2 TRP 30 HH2 TRP 30 3.544 5.301 -15.652 218 H ASP 31 H ASP 31 5.705 11.547 -12.612 219 HA ASP 31 HA ASP 31 5.743 14.285 -11.690 220 HB2 ASP 31 HB2 ASP 31 6.451 12.399 -10.236 221 HB3 ASP 31 HB3 ASP 31 7.810 12.108 -11.317 222 H GLY 32 H GLY 32 6.687 15.926 -12.702 223 HA2 GLY 32 HA2 GLY 32 8.764 16.795 -13.679 224 HA3 GLY 32 HA3 GLY 32 8.845 15.317 -14.626 225 H THR 33 H THR 33 5.823 15.565 -14.983 226 HA THR 33 HA THR 33 5.899 17.645 -17.071 227 HB THR 33 HB THR 33 5.903 15.367 -18.033 228 HG1 THR 33 HG1 THR 33 4.553 16.013 -19.568 229 HG21 THR 33 HG21 THR 33 4.136 13.836 -17.718 230 HG22 THR 33 HG22 THR 33 3.126 15.041 -16.921 231 HG23 THR 33 HG23 THR 33 4.548 14.399 -16.099 232 H PHE 34 H PHE 34 4.028 16.037 -14.586 233 HA PHE 34 HA PHE 34 1.515 17.100 -14.989 234 HB2 PHE 34 HB2 PHE 34 1.059 16.629 -12.707 235 HB3 PHE 34 HB3 PHE 34 2.243 15.430 -13.216 236 HD1 PHE 34 HD2 PHE 34 4.746 16.093 -12.777 237 HD2 PHE 34 HD1 PHE 34 1.403 17.760 -10.738 238 HE1 PHE 34 HE2 PHE 34 6.214 16.751 -10.916 239 HE2 PHE 34 HE1 PHE 34 2.866 18.421 -8.873 240 HZ PHE 34 HZ PHE 34 5.275 17.916 -8.960 241 H SER 35 H SER 35 0.444 18.804 -13.599 242 HA SER 35 HA SER 35 1.986 21.264 -13.852 243 HB2 SER 35 HB2 SER 35 -0.150 21.470 -14.833 244 HB3 SER 35 HB3 SER 35 -0.944 20.669 -13.477 245 HG SER 35 HG SER 35 -1.332 22.764 -13.104
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