NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
607668 | 2n6o | 25775 | 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 0.403 -1.445 -1.451 2 HA GLU 1 HA GLU 1 2.256 0.638 -1.684 3 HB2 GLU 1 HB2 GLU 1 1.388 -0.890 0.776 4 HB3 GLU 1 HB3 GLU 1 2.283 0.622 0.802 5 HG2 GLU 1 HG2 GLU 1 0.476 1.848 -0.008 6 HG3 GLU 1 HG3 GLU 1 -0.353 0.409 -0.598 7 H CYS 2 H CYS 2 3.867 -0.711 -2.935 8 HA CYS 2 HA CYS 2 5.878 -1.746 -1.057 9 HB2 CYS 2 HB2 CYS 2 5.395 -2.940 -3.787 10 HB3 CYS 2 HB3 CYS 2 6.437 -3.560 -2.510 11 H ARG 3 H ARG 3 7.969 -1.171 -1.465 12 HA ARG 3 HA ARG 3 8.511 0.361 -3.913 13 HB2 ARG 3 HB2 ARG 3 9.527 1.189 -1.195 14 HB3 ARG 3 HB3 ARG 3 9.647 2.082 -2.705 15 HG2 ARG 3 HG2 ARG 3 6.912 1.636 -2.295 16 HG3 ARG 3 HG3 ARG 3 7.572 2.117 -0.731 17 HD2 ARG 3 HD2 ARG 3 8.598 4.084 -1.785 18 HD3 ARG 3 HD3 ARG 3 7.905 3.605 -3.334 19 HE ARG 3 HE ARG 3 5.972 3.929 -1.223 20 HH11 ARG 3 HH11 ARG 3 7.742 5.499 -3.777 21 HH12 ARG 3 HH12 ARG 3 6.593 6.782 -3.962 22 HH21 ARG 3 HH21 ARG 3 4.452 5.613 -1.457 23 HH22 ARG 3 HH22 ARG 3 4.722 6.846 -2.642 24 H TYR 4 H TYR 4 10.975 0.796 -4.063 25 HA TYR 4 HA TYR 4 12.275 -1.787 -3.797 26 HB2 TYR 4 HB2 TYR 4 14.155 -0.393 -5.013 27 HB3 TYR 4 HB3 TYR 4 12.739 -0.955 -5.895 28 HD1 TYR 4 HD2 TYR 4 14.305 1.986 -4.303 29 HD2 TYR 4 HD1 TYR 4 11.172 0.585 -6.818 30 HE1 TYR 4 HE2 TYR 4 13.806 4.303 -4.962 31 HE2 TYR 4 HE1 TYR 4 10.665 2.897 -7.484 32 HH TYR 4 HH TYR 4 12.741 5.529 -6.718 33 H LEU 5 H LEU 5 14.860 -1.344 -3.464 34 HA LEU 5 HA LEU 5 15.237 -1.058 -0.745 35 HB2 LEU 5 HB2 LEU 5 16.810 -2.043 -2.468 36 HB3 LEU 5 HB3 LEU 5 17.334 -0.393 -2.796 37 HG LEU 5 HG LEU 5 17.493 -1.548 -0.032 38 HD11 LEU 5 HD11 LEU 5 18.678 -3.134 -1.374 39 HD12 LEU 5 HD12 LEU 5 19.858 -2.110 -0.559 40 HD13 LEU 5 HD13 LEU 5 19.493 -1.848 -2.264 41 HD21 LEU 5 HD21 LEU 5 19.406 0.088 0.053 42 HD22 LEU 5 HD22 LEU 5 17.800 0.802 -0.101 43 HD23 LEU 5 HD23 LEU 5 18.855 0.692 -1.510 44 H PHE 6 H PHE 6 15.803 1.366 -3.286 45 HA PHE 6 HA PHE 6 16.466 3.414 -1.382 46 HB2 PHE 6 HB2 PHE 6 15.895 3.557 -4.349 47 HB3 PHE 6 HB3 PHE 6 16.468 4.907 -3.376 48 HD1 PHE 6 HD2 PHE 6 18.611 4.159 -1.857 49 HD2 PHE 6 HD1 PHE 6 17.487 2.542 -5.630 50 HE1 PHE 6 HE2 PHE 6 20.935 3.450 -2.242 51 HE2 PHE 6 HE1 PHE 6 19.809 1.828 -6.020 52 HZ PHE 6 HZ PHE 6 21.537 2.283 -4.325 53 H GLY 7 H GLY 7 13.605 2.011 -2.242 54 HA2 GLY 7 HA2 GLY 7 11.819 4.118 -2.627 55 HA3 GLY 7 HA3 GLY 7 11.409 2.576 -1.890 56 H GLY 8 H GLY 8 12.147 2.371 0.463 57 HA2 GLY 8 HA2 GLY 8 12.638 3.542 2.526 58 HA3 GLY 8 HA3 GLY 8 11.870 4.965 1.840 59 H CYS 9 H CYS 9 11.460 2.923 4.216 60 HA CYS 9 HA CYS 9 8.598 3.277 4.276 61 HB2 CYS 9 HB2 CYS 9 8.274 0.780 4.799 62 HB3 CYS 9 HB3 CYS 9 8.487 1.239 3.112 63 H SER 10 H SER 10 7.771 1.977 6.360 64 HA SER 10 HA SER 10 9.664 2.669 8.509 65 HB2 SER 10 HB2 SER 10 6.639 2.700 8.478 66 HB3 SER 10 HB3 SER 10 7.608 2.933 9.933 67 HG SER 10 HG SER 10 8.288 4.847 9.198 68 H SER 11 H SER 11 7.708 0.187 7.128 69 HA SER 11 HA SER 11 8.608 -1.658 9.236 70 HB2 SER 11 HB2 SER 11 5.847 -1.301 8.120 71 HB3 SER 11 HB3 SER 11 6.361 -2.890 8.685 72 HG SER 11 HG SER 11 5.577 -1.999 10.482 73 H THR 12 H THR 12 8.650 -3.932 8.538 74 HA THR 12 HA THR 12 9.943 -4.187 6.014 75 HB THR 12 HB THR 12 10.023 -6.612 6.528 76 HG1 THR 12 HG1 THR 12 8.459 -7.294 7.780 77 HG21 THR 12 HG21 THR 12 11.062 -4.472 8.219 78 HG22 THR 12 HG22 THR 12 11.885 -5.874 7.535 79 HG23 THR 12 HG23 THR 12 10.983 -6.029 9.042 80 H SER 13 H SER 13 6.687 -4.589 7.110 81 HA SER 13 HA SER 13 5.697 -6.364 5.192 82 HB2 SER 13 HB2 SER 13 4.335 -5.788 7.087 83 HB3 SER 13 HB3 SER 13 4.349 -4.080 6.646 84 HG SER 13 HG SER 13 2.424 -4.931 5.944 85 H ASP 14 H ASP 14 6.708 -3.092 4.910 86 HA ASP 14 HA ASP 14 5.194 -2.411 2.592 87 HB2 ASP 14 HB2 ASP 14 6.528 -0.911 4.326 88 HB3 ASP 14 HB3 ASP 14 7.825 -1.116 3.152 89 H CYS 15 H CYS 15 8.422 -3.732 3.143 90 HA CYS 15 HA CYS 15 9.268 -3.625 0.441 91 HB2 CYS 15 HB2 CYS 15 10.198 -5.415 2.697 92 HB3 CYS 15 HB3 CYS 15 11.032 -5.204 1.161 93 H CYS 16 H CYS 16 8.441 -4.722 -1.199 94 HA CYS 16 HA CYS 16 7.405 -7.436 -0.699 95 HB2 CYS 16 HB2 CYS 16 6.425 -5.533 -2.832 96 HB3 CYS 16 HB3 CYS 16 5.728 -7.088 -2.390 97 H LYS 17 H LYS 17 9.744 -5.621 -2.234 98 HA LYS 17 HA LYS 17 10.040 -7.441 -4.500 99 HB2 LYS 17 HB2 LYS 17 11.267 -4.808 -3.748 100 HB3 LYS 17 HB3 LYS 17 12.047 -5.835 -4.944 101 HG2 LYS 17 HG2 LYS 17 9.155 -5.186 -5.250 102 HG3 LYS 17 HG3 LYS 17 10.368 -3.975 -5.673 103 HD2 LYS 17 HD2 LYS 17 11.418 -5.551 -7.211 104 HD3 LYS 17 HD3 LYS 17 10.237 -6.786 -6.768 105 HE2 LYS 17 HE2 LYS 17 8.445 -5.239 -7.576 106 HE3 LYS 17 HE3 LYS 17 9.714 -4.172 -8.175 107 HZ1 LYS 17 HZ1 LYS 17 9.785 -6.979 -8.994 108 HZ2 LYS 17 HZ2 LYS 17 10.253 -5.595 -9.845 109 HZ3 LYS 17 HZ3 LYS 17 8.614 -5.984 -9.700 110 H HIS 18 H HIS 18 10.433 -8.551 -1.928 111 HA HIS 18 HA HIS 18 11.863 -9.940 -0.832 112 HB2 HIS 18 HB2 HIS 18 12.401 -10.467 -3.339 113 HB3 HIS 18 HB3 HIS 18 13.907 -9.618 -3.001 114 HD1 HIS 18 HD1 HIS 18 15.718 -10.945 -1.915 115 HD2 HIS 18 HD2 HIS 18 12.013 -12.804 -1.630 116 HE1 HIS 18 HE1 HIS 18 16.178 -13.213 -0.929 117 H LEU 19 H LEU 19 11.927 -7.203 -0.198 118 HA LEU 19 HA LEU 19 14.762 -6.836 0.519 119 HB2 LEU 19 HB2 LEU 19 12.664 -4.706 0.130 120 HB3 LEU 19 HB3 LEU 19 14.348 -4.435 0.573 121 HG LEU 19 HG LEU 19 13.914 -5.894 -1.952 122 HD11 LEU 19 HD11 LEU 19 12.132 -4.015 -1.751 123 HD12 LEU 19 HD12 LEU 19 13.097 -4.149 -3.221 124 HD13 LEU 19 HD13 LEU 19 13.503 -2.936 -2.007 125 HD21 LEU 19 HD21 LEU 19 16.108 -5.089 -0.937 126 HD22 LEU 19 HD22 LEU 19 15.598 -3.467 -1.407 127 HD23 LEU 19 HD23 LEU 19 15.822 -4.712 -2.637 128 H SER 20 H SER 20 15.089 -5.587 2.554 129 HA SER 20 HA SER 20 12.980 -6.205 4.519 130 HB2 SER 20 HB2 SER 20 14.619 -6.841 6.121 131 HB3 SER 20 HB3 SER 20 15.071 -7.657 4.625 132 HG SER 20 HG SER 20 16.752 -6.318 4.378 133 H CYS 21 H CYS 21 12.141 -4.438 5.382 134 HA CYS 21 HA CYS 21 13.390 -1.876 5.114 135 HB2 CYS 21 HB2 CYS 21 10.832 -2.578 5.237 136 HB3 CYS 21 HB3 CYS 21 11.081 -2.292 6.957 137 H ARG 22 H ARG 22 15.148 -1.468 6.309 138 HA ARG 22 HA ARG 22 15.516 -2.534 8.943 139 HB2 ARG 22 HB2 ARG 22 17.063 -0.684 7.165 140 HB3 ARG 22 HB3 ARG 22 17.488 -0.813 8.867 141 HG2 ARG 22 HG2 ARG 22 17.188 -3.334 7.340 142 HG3 ARG 22 HG3 ARG 22 18.600 -2.331 7.002 143 HD2 ARG 22 HD2 ARG 22 19.447 -3.588 8.701 144 HD3 ARG 22 HD3 ARG 22 18.734 -2.282 9.646 145 HE ARG 22 HE ARG 22 16.768 -4.201 9.369 146 HH11 ARG 22 HH11 ARG 22 19.957 -3.992 10.748 147 HH12 ARG 22 HH12 ARG 22 19.647 -5.176 11.974 148 HH21 ARG 22 HH21 ARG 22 16.347 -5.762 10.979 149 HH22 ARG 22 HH22 ARG 22 17.593 -6.183 12.104 150 H SER 23 H SER 23 15.133 -1.610 10.873 151 HA SER 23 HA SER 23 13.483 0.733 10.970 152 HB2 SER 23 HB2 SER 23 12.991 -0.997 12.546 153 HB3 SER 23 HB3 SER 23 14.658 -1.040 13.117 154 HG SER 23 HG SER 23 13.083 1.294 13.325 155 H ASP 24 H ASP 24 16.759 0.320 10.729 156 HA ASP 24 HA ASP 24 17.634 2.395 12.508 157 HB2 ASP 24 HB2 ASP 24 19.020 0.952 10.242 158 HB3 ASP 24 HB3 ASP 24 19.808 2.144 11.271 159 H TRP 25 H TRP 25 17.594 2.137 8.948 160 HA TRP 25 HA TRP 25 17.616 5.067 8.802 161 HB2 TRP 25 HB2 TRP 25 18.561 2.884 7.035 162 HB3 TRP 25 HB3 TRP 25 17.889 4.298 6.228 163 HD1 TRP 25 HD1 TRP 25 20.370 3.863 9.199 164 HE1 TRP 25 HE1 TRP 25 22.367 5.433 8.785 165 HE3 TRP 25 HE3 TRP 25 18.894 5.897 4.747 166 HZ2 TRP 25 HZ2 TRP 25 23.205 7.289 6.831 167 HZ3 TRP 25 HZ3 TRP 25 20.351 7.563 3.672 168 HH2 TRP 25 HH2 TRP 25 22.461 8.244 4.694 169 H LYS 26 H LYS 26 15.484 2.497 8.671 170 HA LYS 26 HA LYS 26 13.286 2.313 8.116 171 HB2 LYS 26 HB2 LYS 26 13.315 5.277 7.560 172 HB3 LYS 26 HB3 LYS 26 11.942 4.282 8.027 173 HG2 LYS 26 HG2 LYS 26 13.123 3.876 10.213 174 HG3 LYS 26 HG3 LYS 26 14.273 5.124 9.727 175 HD2 LYS 26 HD2 LYS 26 11.348 5.715 9.635 176 HD3 LYS 26 HD3 LYS 26 12.184 5.731 11.190 177 HE2 LYS 26 HE2 LYS 26 12.340 7.938 10.480 178 HE3 LYS 26 HE3 LYS 26 13.893 7.253 10.004 179 HZ1 LYS 26 HZ1 LYS 26 11.683 7.209 8.076 180 HZ2 LYS 26 HZ2 LYS 26 13.349 7.312 7.801 181 HZ3 LYS 26 HZ3 LYS 26 12.496 8.670 8.340 182 H TYR 27 H TYR 27 14.893 1.513 6.162 183 HA TYR 27 HA TYR 27 13.381 2.174 3.778 184 HB2 TYR 27 HB2 TYR 27 15.166 2.903 2.442 185 HB3 TYR 27 HB3 TYR 27 15.403 3.759 3.961 186 HD1 TYR 27 HD2 TYR 27 16.801 2.079 5.707 187 HD2 TYR 27 HD1 TYR 27 17.149 2.262 1.470 188 HE1 TYR 27 HE2 TYR 27 19.084 1.179 5.862 189 HE2 TYR 27 HE1 TYR 27 19.434 1.362 1.613 190 HH TYR 27 HH TYR 27 21.308 1.422 3.701 191 H CYS 28 H CYS 28 13.407 0.559 2.226 192 HA CYS 28 HA CYS 28 13.746 -2.058 3.065 193 HB2 CYS 28 HB2 CYS 28 13.524 -0.786 0.357 194 HB3 CYS 28 HB3 CYS 28 13.831 -2.515 0.493 195 H ALA 29 H ALA 29 15.250 -3.702 2.383 196 HA ALA 29 HA ALA 29 17.880 -2.741 1.523 197 HB1 ALA 29 HB1 ALA 29 17.884 -2.773 3.991 198 HB2 ALA 29 HB2 ALA 29 17.497 -4.493 3.947 199 HB3 ALA 29 HB3 ALA 29 19.029 -3.918 3.291 200 H TRP 30 H TRP 30 19.068 -4.206 0.353 201 HA TRP 30 HA TRP 30 17.620 -6.388 -0.804 202 HB2 TRP 30 HB2 TRP 30 20.201 -5.028 -1.271 203 HB3 TRP 30 HB3 TRP 30 20.152 -6.730 -1.723 204 HD1 TRP 30 HD1 TRP 30 19.901 -3.681 -3.424 205 HE1 TRP 30 HE1 TRP 30 18.296 -3.750 -5.434 206 HE3 TRP 30 HE3 TRP 30 17.301 -7.920 -2.240 207 HZ2 TRP 30 HZ2 TRP 30 16.203 -5.385 -6.391 208 HZ3 TRP 30 HZ3 TRP 30 15.512 -8.668 -3.755 209 HH2 TRP 30 HH2 TRP 30 14.976 -7.426 -5.787 210 H ASP 31 H ASP 31 18.654 -8.580 -1.020 211 HA ASP 31 HA ASP 31 19.251 -10.545 -0.040 212 HB2 ASP 31 HB2 ASP 31 21.194 -8.980 1.647 213 HB3 ASP 31 HB3 ASP 31 21.353 -10.623 1.033 214 H GLY 32 H GLY 32 17.118 -8.973 1.173 215 HA2 GLY 32 HA2 GLY 32 15.768 -9.032 3.028 216 HA3 GLY 32 HA3 GLY 32 16.593 -10.531 3.430 217 H THR 33 H THR 33 16.448 -9.993 5.653 218 HA THR 33 HA THR 33 17.497 -7.613 6.756 219 HB THR 33 HB THR 33 17.449 -10.198 8.282 220 HG1 THR 33 HG1 THR 33 15.145 -8.590 7.859 221 HG21 THR 33 HG21 THR 33 16.386 -8.435 9.932 222 HG22 THR 33 HG22 THR 33 17.214 -7.287 8.881 223 HG23 THR 33 HG23 THR 33 18.133 -8.539 9.716 224 H PHE 34 H PHE 34 19.396 -7.444 8.156 225 HA PHE 34 HA PHE 34 21.630 -9.086 7.159 226 HB2 PHE 34 HB2 PHE 34 21.394 -6.157 7.689 227 HB3 PHE 34 HB3 PHE 34 22.952 -6.932 7.957 228 HD1 PHE 34 HD2 PHE 34 23.753 -8.478 5.971 229 HD2 PHE 34 HD1 PHE 34 20.945 -5.300 5.610 230 HE1 PHE 34 HE2 PHE 34 24.245 -8.320 3.565 231 HE2 PHE 34 HE1 PHE 34 21.432 -5.138 3.204 232 HZ PHE 34 HZ PHE 34 23.083 -6.650 2.178 233 H SER 35 H SER 35 22.726 -10.232 8.611 234 HA SER 35 HA SER 35 22.038 -9.981 11.417 235 HB2 SER 35 HB2 SER 35 23.741 -11.985 11.508 236 HB3 SER 35 HB3 SER 35 22.125 -12.225 10.844 237 HG SER 35 HG SER 35 23.632 -13.090 9.429 Start of MODEL 2 1 H1 GLU 1 H GLU 1 1.077 -1.801 -1.265 2 HA GLU 1 HA GLU 1 2.243 0.810 -1.974 3 HB2 GLU 1 HB2 GLU 1 1.453 -0.295 0.723 4 HB3 GLU 1 HB3 GLU 1 2.389 1.178 0.510 5 HG2 GLU 1 HG2 GLU 1 -0.262 0.856 -0.831 6 HG3 GLU 1 HG3 GLU 1 -0.159 1.339 0.861 7 H CYS 2 H CYS 2 3.631 -1.230 -2.942 8 HA CYS 2 HA CYS 2 5.755 -1.824 -0.999 9 HB2 CYS 2 HB2 CYS 2 5.373 -3.091 -3.713 10 HB3 CYS 2 HB3 CYS 2 6.390 -3.661 -2.394 11 H ARG 3 H ARG 3 7.906 -1.379 -1.455 12 HA ARG 3 HA ARG 3 8.470 0.180 -3.875 13 HB2 ARG 3 HB2 ARG 3 9.551 1.024 -1.197 14 HB3 ARG 3 HB3 ARG 3 9.523 1.934 -2.702 15 HG2 ARG 3 HG2 ARG 3 6.870 1.522 -2.270 16 HG3 ARG 3 HG3 ARG 3 7.485 1.667 -0.622 17 HD2 ARG 3 HD2 ARG 3 8.738 3.745 -1.563 18 HD3 ARG 3 HD3 ARG 3 7.535 3.661 -2.849 19 HE ARG 3 HE ARG 3 7.117 4.516 -0.143 20 HH11 ARG 3 HH11 ARG 3 5.607 3.142 -2.963 21 HH12 ARG 3 HH12 ARG 3 4.018 3.690 -2.539 22 HH21 ARG 3 HH21 ARG 3 5.031 5.243 0.425 23 HH22 ARG 3 HH22 ARG 3 3.692 4.886 -0.613 24 H TYR 4 H TYR 4 10.942 0.602 -3.990 25 HA TYR 4 HA TYR 4 12.226 -1.991 -3.643 26 HB2 TYR 4 HB2 TYR 4 14.087 -0.666 -4.968 27 HB3 TYR 4 HB3 TYR 4 12.662 -1.289 -5.792 28 HD1 TYR 4 HD2 TYR 4 14.264 1.747 -4.449 29 HD2 TYR 4 HD1 TYR 4 11.042 0.188 -6.749 30 HE1 TYR 4 HE2 TYR 4 13.741 4.015 -5.242 31 HE2 TYR 4 HE1 TYR 4 10.511 2.452 -7.550 32 HH TYR 4 HH TYR 4 12.196 5.285 -6.302 33 H LEU 5 H LEU 5 14.818 -1.528 -3.384 34 HA LEU 5 HA LEU 5 15.254 -1.106 -0.697 35 HB2 LEU 5 HB2 LEU 5 16.790 -2.083 -2.533 36 HB3 LEU 5 HB3 LEU 5 17.352 -0.423 -2.723 37 HG LEU 5 HG LEU 5 17.454 -1.897 -0.099 38 HD11 LEU 5 HD11 LEU 5 18.908 -3.222 -1.244 39 HD12 LEU 5 HD12 LEU 5 19.998 -1.902 -0.822 40 HD13 LEU 5 HD13 LEU 5 19.286 -1.976 -2.433 41 HD21 LEU 5 HD21 LEU 5 18.559 0.679 -1.157 42 HD22 LEU 5 HD22 LEU 5 19.328 -0.153 0.195 43 HD23 LEU 5 HD23 LEU 5 17.651 0.381 0.326 44 H PHE 6 H PHE 6 15.721 1.215 -3.351 45 HA PHE 6 HA PHE 6 16.401 3.353 -1.558 46 HB2 PHE 6 HB2 PHE 6 15.702 3.412 -4.502 47 HB3 PHE 6 HB3 PHE 6 16.374 4.758 -3.587 48 HD1 PHE 6 HD2 PHE 6 18.505 3.701 -2.055 49 HD2 PHE 6 HD1 PHE 6 17.253 2.583 -5.967 50 HE1 PHE 6 HE2 PHE 6 20.779 2.904 -2.551 51 HE2 PHE 6 HE1 PHE 6 19.525 1.784 -6.469 52 HZ PHE 6 HZ PHE 6 21.292 1.943 -4.760 53 H GLY 7 H GLY 7 13.517 1.907 -2.471 54 HA2 GLY 7 HA2 GLY 7 11.705 3.963 -2.815 55 HA3 GLY 7 HA3 GLY 7 11.328 2.441 -2.022 56 H GLY 8 H GLY 8 12.108 2.320 0.322 57 HA2 GLY 8 HA2 GLY 8 12.608 3.540 2.346 58 HA3 GLY 8 HA3 GLY 8 11.850 4.952 1.624 59 H CYS 9 H CYS 9 11.448 2.824 3.996 60 HA CYS 9 HA CYS 9 8.582 3.260 4.088 61 HB2 CYS 9 HB2 CYS 9 8.237 0.787 4.668 62 HB3 CYS 9 HB3 CYS 9 8.479 1.188 2.971 63 H SER 10 H SER 10 7.760 2.021 6.210 64 HA SER 10 HA SER 10 9.667 2.760 8.331 65 HB2 SER 10 HB2 SER 10 7.583 3.036 9.750 66 HB3 SER 10 HB3 SER 10 7.771 4.208 8.446 67 HG SER 10 HG SER 10 5.642 3.044 8.776 68 H SER 11 H SER 11 7.697 0.254 7.022 69 HA SER 11 HA SER 11 8.592 -1.539 9.173 70 HB2 SER 11 HB2 SER 11 6.081 -0.830 9.224 71 HB3 SER 11 HB3 SER 11 5.919 -1.942 7.864 72 HG SER 11 HG SER 11 5.570 -2.853 10.021 73 H THR 12 H THR 12 8.557 -3.845 8.530 74 HA THR 12 HA THR 12 9.858 -4.189 6.023 75 HB THR 12 HB THR 12 9.703 -6.658 6.599 76 HG1 THR 12 HG1 THR 12 8.537 -7.228 8.274 77 HG21 THR 12 HG21 THR 12 11.203 -6.365 8.662 78 HG22 THR 12 HG22 THR 12 10.968 -4.634 8.423 79 HG23 THR 12 HG23 THR 12 11.722 -5.604 7.158 80 H SER 13 H SER 13 6.579 -4.436 7.081 81 HA SER 13 HA SER 13 5.532 -6.225 5.214 82 HB2 SER 13 HB2 SER 13 4.310 -5.279 7.190 83 HB3 SER 13 HB3 SER 13 4.132 -3.770 6.296 84 HG SER 13 HG SER 13 3.071 -6.315 5.649 85 H ASP 14 H ASP 14 6.683 -3.003 4.829 86 HA ASP 14 HA ASP 14 5.257 -2.375 2.438 87 HB2 ASP 14 HB2 ASP 14 7.553 -1.189 3.932 88 HB3 ASP 14 HB3 ASP 14 7.314 -0.708 2.255 89 H CYS 15 H CYS 15 8.428 -3.755 3.149 90 HA CYS 15 HA CYS 15 9.370 -3.780 0.479 91 HB2 CYS 15 HB2 CYS 15 10.154 -5.486 2.852 92 HB3 CYS 15 HB3 CYS 15 11.037 -5.421 1.330 93 H CYS 16 H CYS 16 8.433 -4.847 -1.127 94 HA CYS 16 HA CYS 16 7.377 -7.546 -0.589 95 HB2 CYS 16 HB2 CYS 16 6.416 -5.630 -2.722 96 HB3 CYS 16 HB3 CYS 16 5.714 -7.191 -2.311 97 H LYS 17 H LYS 17 9.689 -5.742 -2.222 98 HA LYS 17 HA LYS 17 9.972 -7.647 -4.418 99 HB2 LYS 17 HB2 LYS 17 10.207 -5.053 -4.583 100 HB3 LYS 17 HB3 LYS 17 11.818 -5.332 -3.935 101 HG2 LYS 17 HG2 LYS 17 11.855 -7.123 -5.908 102 HG3 LYS 17 HG3 LYS 17 10.701 -5.977 -6.594 103 HD2 LYS 17 HD2 LYS 17 13.155 -4.832 -5.403 104 HD3 LYS 17 HD3 LYS 17 13.359 -5.752 -6.896 105 HE2 LYS 17 HE2 LYS 17 11.492 -4.344 -7.861 106 HE3 LYS 17 HE3 LYS 17 11.641 -3.324 -6.430 107 HZ1 LYS 17 HZ1 LYS 17 12.964 -2.323 -8.062 108 HZ2 LYS 17 HZ2 LYS 17 13.645 -3.790 -8.556 109 HZ3 LYS 17 HZ3 LYS 17 14.066 -3.124 -7.059 110 H HIS 18 H HIS 18 10.429 -8.654 -1.817 111 HA HIS 18 HA HIS 18 11.901 -9.980 -0.697 112 HB2 HIS 18 HB2 HIS 18 13.750 -9.656 -3.063 113 HB3 HIS 18 HB3 HIS 18 13.714 -10.979 -1.901 114 HD1 HIS 18 HD1 HIS 18 13.094 -10.708 -5.210 115 HD2 HIS 18 HD2 HIS 18 10.621 -11.874 -2.082 116 HE1 HIS 18 HE1 HIS 18 11.278 -12.090 -6.268 117 H LEU 19 H LEU 19 11.911 -7.443 0.147 118 HA LEU 19 HA LEU 19 14.755 -6.933 0.703 119 HB2 LEU 19 HB2 LEU 19 12.627 -4.840 0.278 120 HB3 LEU 19 HB3 LEU 19 14.306 -4.534 0.717 121 HG LEU 19 HG LEU 19 13.890 -6.049 -1.781 122 HD11 LEU 19 HD11 LEU 19 13.311 -3.097 -1.711 123 HD12 LEU 19 HD12 LEU 19 12.059 -4.336 -1.782 124 HD13 LEU 19 HD13 LEU 19 13.226 -4.186 -3.095 125 HD21 LEU 19 HD21 LEU 19 16.072 -5.182 -0.761 126 HD22 LEU 19 HD22 LEU 19 15.546 -3.591 -1.310 127 HD23 LEU 19 HD23 LEU 19 15.796 -4.890 -2.478 128 H SER 20 H SER 20 15.068 -5.608 2.704 129 HA SER 20 HA SER 20 12.993 -6.234 4.702 130 HB2 SER 20 HB2 SER 20 15.976 -6.555 4.826 131 HB3 SER 20 HB3 SER 20 15.053 -6.291 6.306 132 HG SER 20 HG SER 20 13.816 -8.138 5.767 133 H CYS 21 H CYS 21 12.115 -4.473 5.536 134 HA CYS 21 HA CYS 21 13.349 -1.891 5.226 135 HB2 CYS 21 HB2 CYS 21 10.790 -2.610 5.228 136 HB3 CYS 21 HB3 CYS 21 10.946 -2.279 6.950 137 H ARG 22 H ARG 22 14.913 -1.236 6.539 138 HA ARG 22 HA ARG 22 15.133 -2.287 9.233 139 HB2 ARG 22 HB2 ARG 22 16.873 -0.426 7.613 140 HB3 ARG 22 HB3 ARG 22 17.223 -0.869 9.278 141 HG2 ARG 22 HG2 ARG 22 17.138 -3.289 8.461 142 HG3 ARG 22 HG3 ARG 22 17.234 -2.604 6.837 143 HD2 ARG 22 HD2 ARG 22 19.452 -3.153 7.540 144 HD3 ARG 22 HD3 ARG 22 19.297 -1.397 7.547 145 HE ARG 22 HE ARG 22 19.694 -1.424 9.792 146 HH11 ARG 22 HH11 ARG 22 18.683 -4.604 8.800 147 HH12 ARG 22 HH12 ARG 22 18.968 -5.321 10.351 148 HH21 ARG 22 HH21 ARG 22 20.074 -2.357 11.839 149 HH22 ARG 22 HH22 ARG 22 19.758 -4.042 12.079 150 H SER 23 H SER 23 14.726 -1.208 11.087 151 HA SER 23 HA SER 23 13.128 1.168 10.942 152 HB2 SER 23 HB2 SER 23 12.545 0.720 13.110 153 HB3 SER 23 HB3 SER 23 13.148 -0.879 12.674 154 HG SER 23 HG SER 23 14.046 0.761 14.563 155 H ASP 24 H ASP 24 16.398 0.676 10.862 156 HA ASP 24 HA ASP 24 17.256 2.849 12.527 157 HB2 ASP 24 HB2 ASP 24 18.725 1.319 10.368 158 HB3 ASP 24 HB3 ASP 24 19.468 2.463 11.482 159 H TRP 25 H TRP 25 17.325 2.360 8.992 160 HA TRP 25 HA TRP 25 17.406 5.274 8.659 161 HB2 TRP 25 HB2 TRP 25 18.304 2.962 7.004 162 HB3 TRP 25 HB3 TRP 25 17.810 4.432 6.169 163 HD1 TRP 25 HD1 TRP 25 20.016 3.871 9.327 164 HE1 TRP 25 HE1 TRP 25 22.190 5.212 9.011 165 HE3 TRP 25 HE3 TRP 25 19.116 5.792 4.676 166 HZ2 TRP 25 HZ2 TRP 25 23.367 6.866 7.049 167 HZ3 TRP 25 HZ3 TRP 25 20.816 7.245 3.650 168 HH2 TRP 25 HH2 TRP 25 22.897 7.770 4.814 169 H LYS 26 H LYS 26 15.256 2.702 8.570 170 HA LYS 26 HA LYS 26 13.080 2.507 7.937 171 HB2 LYS 26 HB2 LYS 26 13.138 5.441 7.245 172 HB3 LYS 26 HB3 LYS 26 11.752 4.470 7.727 173 HG2 LYS 26 HG2 LYS 26 12.778 4.205 9.967 174 HG3 LYS 26 HG3 LYS 26 14.067 5.302 9.464 175 HD2 LYS 26 HD2 LYS 26 11.226 6.166 9.172 176 HD3 LYS 26 HD3 LYS 26 11.974 6.200 10.770 177 HE2 LYS 26 HE2 LYS 26 13.237 7.475 8.357 178 HE3 LYS 26 HE3 LYS 26 12.105 8.334 9.400 179 HZ1 LYS 26 HZ1 LYS 26 14.149 8.883 10.282 180 HZ2 LYS 26 HZ2 LYS 26 14.810 7.348 10.024 181 HZ3 LYS 26 HZ3 LYS 26 13.687 7.588 11.267 182 H TYR 27 H TYR 27 14.712 1.581 6.089 183 HA TYR 27 HA TYR 27 13.323 2.183 3.617 184 HB2 TYR 27 HB2 TYR 27 15.187 2.793 2.327 185 HB3 TYR 27 HB3 TYR 27 15.383 3.713 3.814 186 HD1 TYR 27 HD2 TYR 27 16.651 2.079 5.697 187 HD2 TYR 27 HD1 TYR 27 17.191 2.052 1.477 188 HE1 TYR 27 HE2 TYR 27 18.898 1.124 5.996 189 HE2 TYR 27 HE1 TYR 27 19.438 1.096 1.764 190 HH TYR 27 HH TYR 27 20.521 -0.435 3.944 191 H CYS 28 H CYS 28 13.526 0.544 2.037 192 HA CYS 28 HA CYS 28 13.748 -2.067 3.060 193 HB2 CYS 28 HB2 CYS 28 13.463 -0.897 0.320 194 HB3 CYS 28 HB3 CYS 28 13.828 -2.611 0.487 195 H ALA 29 H ALA 29 15.256 -3.725 2.572 196 HA ALA 29 HA ALA 29 17.884 -2.817 1.622 197 HB1 ALA 29 HB1 ALA 29 19.002 -4.028 3.414 198 HB2 ALA 29 HB2 ALA 29 17.927 -2.792 4.069 199 HB3 ALA 29 HB3 ALA 29 17.441 -4.487 4.094 200 H TRP 30 H TRP 30 19.042 -4.297 0.454 201 HA TRP 30 HA TRP 30 17.586 -6.485 -0.667 202 HB2 TRP 30 HB2 TRP 30 20.189 -5.167 -1.132 203 HB3 TRP 30 HB3 TRP 30 20.121 -6.874 -1.559 204 HD1 TRP 30 HD1 TRP 30 19.925 -3.847 -3.306 205 HE1 TRP 30 HE1 TRP 30 18.337 -3.925 -5.329 206 HE3 TRP 30 HE3 TRP 30 17.260 -8.035 -2.084 207 HZ2 TRP 30 HZ2 TRP 30 16.231 -5.547 -6.281 208 HZ3 TRP 30 HZ3 TRP 30 15.476 -8.782 -3.604 209 HH2 TRP 30 HH2 TRP 30 14.973 -7.562 -5.659 210 H ASP 31 H ASP 31 18.592 -8.694 -0.842 211 HA ASP 31 HA ASP 31 19.106 -10.655 0.197 212 HB2 ASP 31 HB2 ASP 31 21.359 -9.308 0.100 213 HB3 ASP 31 HB3 ASP 31 21.159 -9.228 1.848 214 H GLY 32 H GLY 32 17.072 -8.981 1.427 215 HA2 GLY 32 HA2 GLY 32 15.791 -8.924 3.330 216 HA3 GLY 32 HA3 GLY 32 16.571 -10.441 3.750 217 H THR 33 H THR 33 16.820 -10.075 5.914 218 HA THR 33 HA THR 33 17.931 -7.621 6.919 219 HB THR 33 HB THR 33 17.814 -8.638 9.109 220 HG1 THR 33 HG1 THR 33 17.079 -11.066 7.813 221 HG21 THR 33 HG21 THR 33 15.333 -9.810 8.112 222 HG22 THR 33 HG22 THR 33 15.645 -8.195 7.476 223 HG23 THR 33 HG23 THR 33 15.581 -8.460 9.218 224 H PHE 34 H PHE 34 19.935 -7.373 7.986 225 HA PHE 34 HA PHE 34 22.017 -9.157 6.949 226 HB2 PHE 34 HB2 PHE 34 22.093 -6.330 8.002 227 HB3 PHE 34 HB3 PHE 34 23.552 -7.262 7.681 228 HD1 PHE 34 HD2 PHE 34 23.390 -8.487 5.242 229 HD2 PHE 34 HD1 PHE 34 21.532 -4.830 6.377 230 HE1 PHE 34 HE2 PHE 34 23.312 -7.798 2.881 231 HE2 PHE 34 HE1 PHE 34 21.450 -4.135 4.018 232 HZ PHE 34 HZ PHE 34 22.341 -5.620 2.266 233 H SER 35 H SER 35 23.383 -10.276 8.247 234 HA SER 35 HA SER 35 22.732 -10.302 11.106 235 HB2 SER 35 HB2 SER 35 23.983 -12.487 11.093 236 HB3 SER 35 HB3 SER 35 22.543 -12.467 10.076 237 HG SER 35 HG SER 35 24.272 -13.384 8.952 Start of MODEL 3 1 H1 GLU 1 H GLU 1 1.635 1.328 -0.164 2 HA GLU 1 HA GLU 1 1.688 -0.362 -2.575 3 HB2 GLU 1 HB2 GLU 1 1.281 1.943 -3.137 4 HB3 GLU 1 HB3 GLU 1 2.627 2.475 -2.139 5 HG2 GLU 1 HG2 GLU 1 4.212 1.496 -3.634 6 HG3 GLU 1 HG3 GLU 1 2.929 0.730 -4.569 7 H CYS 2 H CYS 2 3.581 -1.312 -3.234 8 HA CYS 2 HA CYS 2 5.621 -1.594 -1.189 9 HB2 CYS 2 HB2 CYS 2 5.490 -2.936 -3.894 10 HB3 CYS 2 HB3 CYS 2 6.451 -3.432 -2.505 11 H ARG 3 H ARG 3 7.869 -1.305 -1.584 12 HA ARG 3 HA ARG 3 8.561 0.366 -3.892 13 HB2 ARG 3 HB2 ARG 3 9.583 1.039 -1.145 14 HB3 ARG 3 HB3 ARG 3 9.613 2.028 -2.599 15 HG2 ARG 3 HG2 ARG 3 6.946 1.678 -2.266 16 HG3 ARG 3 HG3 ARG 3 7.506 1.682 -0.592 17 HD2 ARG 3 HD2 ARG 3 8.837 3.784 -1.292 18 HD3 ARG 3 HD3 ARG 3 7.737 3.828 -2.668 19 HE ARG 3 HE ARG 3 7.148 4.582 0.011 20 HH11 ARG 3 HH11 ARG 3 5.765 3.161 -2.850 21 HH12 ARG 3 HH12 ARG 3 4.148 3.656 -2.472 22 HH21 ARG 3 HH21 ARG 3 5.024 5.239 0.520 23 HH22 ARG 3 HH22 ARG 3 3.728 4.838 -0.556 24 H TYR 4 H TYR 4 11.049 0.720 -3.894 25 HA TYR 4 HA TYR 4 12.247 -1.927 -3.597 26 HB2 TYR 4 HB2 TYR 4 14.160 -0.627 -4.880 27 HB3 TYR 4 HB3 TYR 4 12.738 -1.223 -5.730 28 HD1 TYR 4 HD2 TYR 4 14.276 1.797 -4.238 29 HD2 TYR 4 HD1 TYR 4 11.248 0.269 -6.806 30 HE1 TYR 4 HE2 TYR 4 13.802 4.078 -5.026 31 HE2 TYR 4 HE1 TYR 4 10.766 2.545 -7.603 32 HH TYR 4 HH TYR 4 11.206 5.060 -6.359 33 H LEU 5 H LEU 5 14.854 -1.517 -3.312 34 HA LEU 5 HA LEU 5 15.272 -1.155 -0.615 35 HB2 LEU 5 HB2 LEU 5 16.812 -2.118 -2.450 36 HB3 LEU 5 HB3 LEU 5 17.393 -0.462 -2.616 37 HG LEU 5 HG LEU 5 17.470 -1.981 -0.016 38 HD11 LEU 5 HD11 LEU 5 20.023 -1.955 -0.736 39 HD12 LEU 5 HD12 LEU 5 19.304 -2.027 -2.344 40 HD13 LEU 5 HD13 LEU 5 18.941 -3.282 -1.160 41 HD21 LEU 5 HD21 LEU 5 18.596 0.612 -1.013 42 HD22 LEU 5 HD22 LEU 5 19.334 -0.246 0.340 43 HD23 LEU 5 HD23 LEU 5 17.658 0.294 0.447 44 H PHE 6 H PHE 6 15.789 1.216 -3.214 45 HA PHE 6 HA PHE 6 16.485 3.306 -1.371 46 HB2 PHE 6 HB2 PHE 6 15.879 3.330 -4.332 47 HB3 PHE 6 HB3 PHE 6 16.366 4.758 -3.424 48 HD1 PHE 6 HD2 PHE 6 18.605 4.636 -2.171 49 HD2 PHE 6 HD1 PHE 6 17.475 1.933 -5.259 50 HE1 PHE 6 HE2 PHE 6 20.969 4.051 -2.520 51 HE2 PHE 6 HE1 PHE 6 19.838 1.344 -5.612 52 HZ PHE 6 HZ PHE 6 21.589 2.404 -4.242 53 H GLY 7 H GLY 7 13.589 1.915 -2.320 54 HA2 GLY 7 HA2 GLY 7 11.802 3.999 -2.633 55 HA3 GLY 7 HA3 GLY 7 11.405 2.467 -1.868 56 H GLY 8 H GLY 8 12.171 2.296 0.476 57 HA2 GLY 8 HA2 GLY 8 12.673 3.466 2.525 58 HA3 GLY 8 HA3 GLY 8 11.956 4.908 1.824 59 H CYS 9 H CYS 9 11.483 2.627 4.090 60 HA CYS 9 HA CYS 9 8.624 3.167 4.185 61 HB2 CYS 9 HB2 CYS 9 8.240 0.683 4.723 62 HB3 CYS 9 HB3 CYS 9 8.480 1.122 3.035 63 H SER 10 H SER 10 7.754 1.903 6.273 64 HA SER 10 HA SER 10 9.633 2.599 8.431 65 HB2 SER 10 HB2 SER 10 6.662 2.839 8.162 66 HB3 SER 10 HB3 SER 10 7.356 2.615 9.768 67 HG SER 10 HG SER 10 7.196 4.849 8.368 68 H SER 11 H SER 11 7.692 0.095 7.060 69 HA SER 11 HA SER 11 8.622 -1.737 9.162 70 HB2 SER 11 HB2 SER 11 6.281 -1.336 9.632 71 HB3 SER 11 HB3 SER 11 5.850 -1.646 7.950 72 HG SER 11 HG SER 11 6.228 -3.399 9.982 73 H THR 12 H THR 12 8.557 -4.039 8.459 74 HA THR 12 HA THR 12 9.856 -4.316 5.940 75 HB THR 12 HB THR 12 9.892 -6.729 6.431 76 HG1 THR 12 HG1 THR 12 8.409 -7.510 7.709 77 HG21 THR 12 HG21 THR 12 11.665 -5.481 7.405 78 HG22 THR 12 HG22 THR 12 11.075 -6.571 8.660 79 HG23 THR 12 HG23 THR 12 10.621 -4.868 8.686 80 H SER 13 H SER 13 6.581 -4.612 7.015 81 HA SER 13 HA SER 13 5.522 -6.344 5.107 82 HB2 SER 13 HB2 SER 13 3.390 -5.476 5.681 83 HB3 SER 13 HB3 SER 13 4.361 -5.328 7.145 84 HG SER 13 HG SER 13 3.184 -3.392 5.654 85 H ASP 14 H ASP 14 6.656 -3.100 4.796 86 HA ASP 14 HA ASP 14 5.236 -2.433 2.415 87 HB2 ASP 14 HB2 ASP 14 7.746 -1.284 3.649 88 HB3 ASP 14 HB3 ASP 14 6.951 -0.607 2.230 89 H CYS 15 H CYS 15 8.387 -3.853 3.108 90 HA CYS 15 HA CYS 15 9.374 -3.792 0.458 91 HB2 CYS 15 HB2 CYS 15 10.076 -5.585 2.790 92 HB3 CYS 15 HB3 CYS 15 10.975 -5.532 1.277 93 H CYS 16 H CYS 16 8.419 -4.757 -1.204 94 HA CYS 16 HA CYS 16 7.238 -7.425 -0.791 95 HB2 CYS 16 HB2 CYS 16 6.552 -5.381 -2.913 96 HB3 CYS 16 HB3 CYS 16 5.777 -6.947 -2.696 97 H LYS 17 H LYS 17 9.736 -5.713 -2.278 98 HA LYS 17 HA LYS 17 10.086 -7.645 -4.438 99 HB2 LYS 17 HB2 LYS 17 11.366 -5.022 -3.740 100 HB3 LYS 17 HB3 LYS 17 12.156 -6.121 -4.862 101 HG2 LYS 17 HG2 LYS 17 10.946 -4.649 -6.211 102 HG3 LYS 17 HG3 LYS 17 9.966 -6.116 -6.159 103 HD2 LYS 17 HD2 LYS 17 8.440 -5.153 -4.628 104 HD3 LYS 17 HD3 LYS 17 9.521 -3.800 -4.288 105 HE2 LYS 17 HE2 LYS 17 7.724 -3.064 -5.724 106 HE3 LYS 17 HE3 LYS 17 9.245 -3.034 -6.616 107 HZ1 LYS 17 HZ1 LYS 17 8.652 -4.912 -7.832 108 HZ2 LYS 17 HZ2 LYS 17 7.221 -4.014 -7.771 109 HZ3 LYS 17 HZ3 LYS 17 7.421 -5.354 -6.759 110 H HIS 18 H HIS 18 10.321 -8.683 -1.833 111 HA HIS 18 HA HIS 18 11.664 -10.022 -0.575 112 HB2 HIS 18 HB2 HIS 18 13.129 -9.952 -3.192 113 HB3 HIS 18 HB3 HIS 18 13.841 -10.776 -1.807 114 HD1 HIS 18 HD1 HIS 18 12.848 -13.020 -1.134 115 HD2 HIS 18 HD2 HIS 18 10.769 -11.157 -4.211 116 HE1 HIS 18 HE1 HIS 18 11.258 -14.756 -2.019 117 H LEU 19 H LEU 19 11.828 -7.374 0.059 118 HA LEU 19 HA LEU 19 14.689 -7.015 0.670 119 HB2 LEU 19 HB2 LEU 19 12.586 -4.888 0.294 120 HB3 LEU 19 HB3 LEU 19 14.264 -4.601 0.749 121 HG LEU 19 HG LEU 19 13.856 -6.073 -1.775 122 HD11 LEU 19 HD11 LEU 19 13.367 -3.112 -1.744 123 HD12 LEU 19 HD12 LEU 19 12.046 -4.278 -1.678 124 HD13 LEU 19 HD13 LEU 19 13.135 -4.258 -3.065 125 HD21 LEU 19 HD21 LEU 19 15.764 -4.883 -2.450 126 HD22 LEU 19 HD22 LEU 19 16.042 -5.264 -0.751 127 HD23 LEU 19 HD23 LEU 19 15.531 -3.642 -1.219 128 H SER 20 H SER 20 15.081 -5.737 2.683 129 HA SER 20 HA SER 20 13.050 -6.374 4.723 130 HB2 SER 20 HB2 SER 20 16.038 -6.669 4.768 131 HB3 SER 20 HB3 SER 20 15.151 -6.430 6.273 132 HG SER 20 HG SER 20 13.987 -8.298 5.849 133 H CYS 21 H CYS 21 12.141 -4.588 5.473 134 HA CYS 21 HA CYS 21 13.379 -2.013 5.209 135 HB2 CYS 21 HB2 CYS 21 10.823 -2.732 5.205 136 HB3 CYS 21 HB3 CYS 21 10.976 -2.420 6.931 137 H ARG 22 H ARG 22 15.046 -1.533 6.495 138 HA ARG 22 HA ARG 22 15.266 -2.558 9.172 139 HB2 ARG 22 HB2 ARG 22 16.933 -0.672 7.519 140 HB3 ARG 22 HB3 ARG 22 17.293 -0.989 9.211 141 HG2 ARG 22 HG2 ARG 22 17.202 -3.494 8.428 142 HG3 ARG 22 HG3 ARG 22 17.538 -2.778 6.850 143 HD2 ARG 22 HD2 ARG 22 19.659 -3.213 7.683 144 HD3 ARG 22 HD3 ARG 22 19.420 -1.512 8.083 145 HE ARG 22 HE ARG 22 18.546 -2.902 10.281 146 HH11 ARG 22 HH11 ARG 22 21.518 -2.675 8.482 147 HH12 ARG 22 HH12 ARG 22 22.525 -3.003 9.853 148 HH21 ARG 22 HH21 ARG 22 19.861 -3.335 12.094 149 HH22 ARG 22 HH22 ARG 22 21.581 -3.380 11.907 150 H SER 23 H SER 23 14.814 -1.560 11.055 151 HA SER 23 HA SER 23 13.173 0.789 10.992 152 HB2 SER 23 HB2 SER 23 13.416 0.480 13.582 153 HB3 SER 23 HB3 SER 23 12.489 -0.695 12.648 154 HG SER 23 HG SER 23 13.825 -1.941 13.801 155 H ASP 24 H ASP 24 16.454 0.357 10.916 156 HA ASP 24 HA ASP 24 17.260 2.488 12.659 157 HB2 ASP 24 HB2 ASP 24 18.635 0.434 11.828 158 HB3 ASP 24 HB3 ASP 24 18.960 1.439 10.418 159 H TRP 25 H TRP 25 17.367 2.118 9.110 160 HA TRP 25 HA TRP 25 17.407 5.041 8.873 161 HB2 TRP 25 HB2 TRP 25 18.364 2.796 7.172 162 HB3 TRP 25 HB3 TRP 25 17.808 4.251 6.349 163 HD1 TRP 25 HD1 TRP 25 20.044 3.768 9.499 164 HE1 TRP 25 HE1 TRP 25 22.163 5.194 9.181 165 HE3 TRP 25 HE3 TRP 25 19.059 5.657 4.852 166 HZ2 TRP 25 HZ2 TRP 25 23.270 6.894 7.219 167 HZ3 TRP 25 HZ3 TRP 25 20.700 7.176 3.825 168 HH2 TRP 25 HH2 TRP 25 22.761 7.782 4.985 169 H LYS 26 H LYS 26 15.281 2.458 8.710 170 HA LYS 26 HA LYS 26 13.108 2.259 8.067 171 HB2 LYS 26 HB2 LYS 26 13.144 5.210 7.452 172 HB3 LYS 26 HB3 LYS 26 11.764 4.217 7.901 173 HG2 LYS 26 HG2 LYS 26 12.957 3.857 10.123 174 HG3 LYS 26 HG3 LYS 26 14.009 5.188 9.636 175 HD2 LYS 26 HD2 LYS 26 11.036 5.510 9.537 176 HD3 LYS 26 HD3 LYS 26 11.893 5.675 11.072 177 HE2 LYS 26 HE2 LYS 26 13.206 7.475 10.234 178 HE3 LYS 26 HE3 LYS 26 12.647 7.197 8.585 179 HZ1 LYS 26 HZ1 LYS 26 10.645 8.175 8.999 180 HZ2 LYS 26 HZ2 LYS 26 11.611 9.072 10.058 181 HZ3 LYS 26 HZ3 LYS 26 10.658 7.806 10.650 182 H TYR 27 H TYR 27 14.732 1.380 6.201 183 HA TYR 27 HA TYR 27 13.352 2.046 3.741 184 HB2 TYR 27 HB2 TYR 27 15.225 2.678 2.470 185 HB3 TYR 27 HB3 TYR 27 15.407 3.572 3.975 186 HD1 TYR 27 HD2 TYR 27 16.675 1.931 5.839 187 HD2 TYR 27 HD1 TYR 27 17.228 1.939 1.621 188 HE1 TYR 27 HE2 TYR 27 18.922 0.977 6.138 189 HE2 TYR 27 HE1 TYR 27 19.477 0.983 1.908 190 HH TYR 27 HH TYR 27 20.519 -0.508 4.538 191 H CYS 28 H CYS 28 13.501 0.431 2.153 192 HA CYS 28 HA CYS 28 13.730 -2.197 3.099 193 HB2 CYS 28 HB2 CYS 28 13.461 -0.954 0.392 194 HB3 CYS 28 HB3 CYS 28 13.839 -2.670 0.506 195 H ALA 29 H ALA 29 15.235 -3.850 2.590 196 HA ALA 29 HA ALA 29 17.877 -2.929 1.691 197 HB1 ALA 29 HB1 ALA 29 19.004 -4.030 3.465 198 HB2 ALA 29 HB2 ALA 29 17.735 -3.049 4.200 199 HB3 ALA 29 HB3 ALA 29 17.515 -4.790 4.028 200 H TRP 30 H TRP 30 19.087 -4.415 0.552 201 HA TRP 30 HA TRP 30 17.608 -6.575 -0.641 202 HB2 TRP 30 HB2 TRP 30 20.166 -5.185 -1.142 203 HB3 TRP 30 HB3 TRP 30 20.128 -6.884 -1.607 204 HD1 TRP 30 HD1 TRP 30 19.817 -3.827 -3.280 205 HE1 TRP 30 HE1 TRP 30 18.176 -3.897 -5.262 206 HE3 TRP 30 HE3 TRP 30 17.277 -8.098 -2.080 207 HZ2 TRP 30 HZ2 TRP 30 16.081 -5.545 -6.193 208 HZ3 TRP 30 HZ3 TRP 30 15.469 -8.853 -3.568 209 HH2 TRP 30 HH2 TRP 30 14.885 -7.601 -5.581 210 H ASP 31 H ASP 31 18.658 -8.756 -0.895 211 HA ASP 31 HA ASP 31 19.278 -10.725 0.062 212 HB2 ASP 31 HB2 ASP 31 21.268 -9.158 1.693 213 HB3 ASP 31 HB3 ASP 31 21.411 -10.802 1.077 214 H GLY 32 H GLY 32 17.243 -9.019 1.396 215 HA2 GLY 32 HA2 GLY 32 15.920 -9.158 3.268 216 HA3 GLY 32 HA3 GLY 32 16.785 -10.636 3.661 217 H THR 33 H THR 33 16.834 -10.179 5.865 218 HA THR 33 HA THR 33 17.839 -7.728 6.912 219 HB THR 33 HB THR 33 17.930 -8.937 9.083 220 HG1 THR 33 HG1 THR 33 17.401 -11.090 9.166 221 HG21 THR 33 HG21 THR 33 15.793 -7.966 7.932 222 HG22 THR 33 HG22 THR 33 15.638 -8.946 9.390 223 HG23 THR 33 HG23 THR 33 15.324 -9.661 7.809 224 H PHE 34 H PHE 34 19.857 -7.149 7.509 225 HA PHE 34 HA PHE 34 22.073 -8.553 6.433 226 HB2 PHE 34 HB2 PHE 34 21.690 -6.092 8.064 227 HB3 PHE 34 HB3 PHE 34 23.293 -6.819 8.054 228 HD1 PHE 34 HD1 PHE 34 20.640 -6.145 5.512 229 HD2 PHE 34 HD2 PHE 34 24.742 -5.819 6.598 230 HE1 PHE 34 HE1 PHE 34 21.118 -5.045 3.363 231 HE2 PHE 34 HE2 PHE 34 25.227 -4.718 4.452 232 HZ PHE 34 HZ PHE 34 23.413 -4.329 2.831 233 H SER 35 H SER 35 23.916 -9.375 7.615 234 HA SER 35 HA SER 35 23.094 -11.068 9.794 235 HB2 SER 35 HB2 SER 35 24.595 -11.950 8.083 236 HB3 SER 35 HB3 SER 35 25.792 -10.713 8.465 237 HG SER 35 HG SER 35 25.570 -13.081 9.551 Start of MODEL 4 1 H1 GLU 1 H GLU 1 0.947 -0.382 0.326 2 HA GLU 1 HA GLU 1 1.844 -0.403 -2.430 3 HB2 GLU 1 HB2 GLU 1 2.382 1.464 -0.119 4 HB3 GLU 1 HB3 GLU 1 3.104 1.663 -1.709 5 HG2 GLU 1 HG2 GLU 1 0.136 1.541 -1.283 6 HG3 GLU 1 HG3 GLU 1 1.052 3.046 -1.217 7 H CYS 2 H CYS 2 3.953 -0.694 -3.124 8 HA CYS 2 HA CYS 2 5.870 -1.698 -1.133 9 HB2 CYS 2 HB2 CYS 2 5.521 -2.921 -3.871 10 HB3 CYS 2 HB3 CYS 2 6.505 -3.524 -2.542 11 H ARG 3 H ARG 3 8.037 -1.282 -1.547 12 HA ARG 3 HA ARG 3 8.667 0.302 -3.934 13 HB2 ARG 3 HB2 ARG 3 9.700 1.101 -1.222 14 HB3 ARG 3 HB3 ARG 3 9.722 2.027 -2.717 15 HG2 ARG 3 HG2 ARG 3 7.055 1.659 -2.360 16 HG3 ARG 3 HG3 ARG 3 7.626 1.761 -0.693 17 HD2 ARG 3 HD2 ARG 3 8.921 3.839 -1.502 18 HD3 ARG 3 HD3 ARG 3 7.833 3.791 -2.889 19 HE ARG 3 HE ARG 3 7.202 4.648 -0.237 20 HH11 ARG 3 HH11 ARG 3 5.892 3.195 -3.117 21 HH12 ARG 3 HH12 ARG 3 4.272 3.723 -2.803 22 HH21 ARG 3 HH21 ARG 3 5.073 5.349 0.187 23 HH22 ARG 3 HH22 ARG 3 3.807 4.949 -0.925 24 H TYR 4 H TYR 4 11.145 0.693 -3.996 25 HA TYR 4 HA TYR 4 12.388 -1.919 -3.671 26 HB2 TYR 4 HB2 TYR 4 14.303 -0.589 -4.910 27 HB3 TYR 4 HB3 TYR 4 12.891 -1.167 -5.788 28 HD1 TYR 4 HD2 TYR 4 14.506 1.806 -4.326 29 HD2 TYR 4 HD1 TYR 4 11.314 0.361 -6.739 30 HE1 TYR 4 HE2 TYR 4 14.039 4.102 -5.072 31 HE2 TYR 4 HE1 TYR 4 10.838 2.653 -7.493 32 HH TYR 4 HH TYR 4 12.326 4.873 -7.687 33 H LEU 5 H LEU 5 14.977 -1.504 -3.328 34 HA LEU 5 HA LEU 5 15.342 -1.153 -0.620 35 HB2 LEU 5 HB2 LEU 5 16.917 -2.147 -2.373 36 HB3 LEU 5 HB3 LEU 5 17.481 -0.496 -2.622 37 HG LEU 5 HG LEU 5 17.553 -1.821 0.077 38 HD11 LEU 5 HD11 LEU 5 20.060 -2.063 -0.563 39 HD12 LEU 5 HD12 LEU 5 19.450 -2.062 -2.217 40 HD13 LEU 5 HD13 LEU 5 18.903 -3.291 -1.077 41 HD21 LEU 5 HD21 LEU 5 17.835 0.482 0.314 42 HD22 LEU 5 HD22 LEU 5 18.780 0.616 -1.170 43 HD23 LEU 5 HD23 LEU 5 19.485 -0.139 0.260 44 H PHE 6 H PHE 6 15.925 1.219 -3.205 45 HA PHE 6 HA PHE 6 16.589 3.304 -1.344 46 HB2 PHE 6 HB2 PHE 6 15.899 3.593 -4.272 47 HB3 PHE 6 HB3 PHE 6 16.805 4.725 -3.274 48 HD1 PHE 6 HD2 PHE 6 19.048 3.967 -2.351 49 HD2 PHE 6 HD1 PHE 6 16.987 1.910 -5.456 50 HE1 PHE 6 HE2 PHE 6 21.149 2.874 -3.017 51 HE2 PHE 6 HE1 PHE 6 19.084 0.813 -6.126 52 HZ PHE 6 HZ PHE 6 21.169 1.293 -4.905 53 H GLY 7 H GLY 7 13.710 1.926 -2.355 54 HA2 GLY 7 HA2 GLY 7 11.948 4.033 -2.703 55 HA3 GLY 7 HA3 GLY 7 11.517 2.492 -1.976 56 H GLY 8 H GLY 8 12.217 2.275 0.387 57 HA2 GLY 8 HA2 GLY 8 12.680 3.425 2.463 58 HA3 GLY 8 HA3 GLY 8 11.955 4.867 1.768 59 H CYS 9 H CYS 9 11.452 2.873 4.146 60 HA CYS 9 HA CYS 9 8.593 3.256 4.125 61 HB2 CYS 9 HB2 CYS 9 8.222 0.775 4.676 62 HB3 CYS 9 HB3 CYS 9 8.499 1.197 2.989 63 H SER 10 H SER 10 7.698 2.002 6.208 64 HA SER 10 HA SER 10 9.537 2.721 8.394 65 HB2 SER 10 HB2 SER 10 7.498 4.106 8.280 66 HB3 SER 10 HB3 SER 10 6.509 2.652 8.413 67 HG SER 10 HG SER 10 6.881 3.799 10.424 68 H SER 11 H SER 11 7.607 0.217 7.010 69 HA SER 11 HA SER 11 8.476 -1.598 9.154 70 HB2 SER 11 HB2 SER 11 5.736 -1.502 7.873 71 HB3 SER 11 HB3 SER 11 6.300 -2.814 8.908 72 HG SER 11 HG SER 11 5.050 -0.942 9.860 73 H THR 12 H THR 12 8.431 -3.903 8.477 74 HA THR 12 HA THR 12 9.781 -4.214 5.991 75 HB THR 12 HB THR 12 9.791 -6.625 6.512 76 HG1 THR 12 HG1 THR 12 7.916 -5.783 8.434 77 HG21 THR 12 HG21 THR 12 11.259 -6.501 8.335 78 HG22 THR 12 HG22 THR 12 10.395 -5.141 9.054 79 HG23 THR 12 HG23 THR 12 11.360 -4.903 7.597 80 H SER 13 H SER 13 6.484 -4.477 6.990 81 HA SER 13 HA SER 13 5.474 -6.231 5.064 82 HB2 SER 13 HB2 SER 13 3.311 -5.309 5.555 83 HB3 SER 13 HB3 SER 13 4.232 -5.316 7.059 84 HG SER 13 HG SER 13 4.182 -3.209 7.095 85 H ASP 14 H ASP 14 6.627 -3.002 4.774 86 HA ASP 14 HA ASP 14 5.227 -2.308 2.387 87 HB2 ASP 14 HB2 ASP 14 6.597 -0.854 4.173 88 HB3 ASP 14 HB3 ASP 14 7.864 -1.066 2.967 89 H CYS 15 H CYS 15 8.387 -3.717 3.091 90 HA CYS 15 HA CYS 15 9.347 -3.681 0.426 91 HB2 CYS 15 HB2 CYS 15 10.121 -5.447 2.757 92 HB3 CYS 15 HB3 CYS 15 11.018 -5.324 1.247 93 H CYS 16 H CYS 16 8.485 -4.744 -1.221 94 HA CYS 16 HA CYS 16 7.378 -7.432 -0.734 95 HB2 CYS 16 HB2 CYS 16 6.512 -5.492 -2.885 96 HB3 CYS 16 HB3 CYS 16 5.777 -7.047 -2.508 97 H LYS 17 H LYS 17 9.788 -5.671 -2.246 98 HA LYS 17 HA LYS 17 10.108 -7.540 -4.468 99 HB2 LYS 17 HB2 LYS 17 11.373 -4.918 -3.735 100 HB3 LYS 17 HB3 LYS 17 12.141 -5.977 -4.911 101 HG2 LYS 17 HG2 LYS 17 9.268 -5.258 -5.249 102 HG3 LYS 17 HG3 LYS 17 10.518 -4.092 -5.687 103 HD2 LYS 17 HD2 LYS 17 11.558 -5.845 -7.120 104 HD3 LYS 17 HD3 LYS 17 10.180 -6.890 -6.766 105 HE2 LYS 17 HE2 LYS 17 8.716 -5.026 -7.658 106 HE3 LYS 17 HE3 LYS 17 10.195 -4.269 -8.246 107 HZ1 LYS 17 HZ1 LYS 17 9.426 -5.492 -10.045 108 HZ2 LYS 17 HZ2 LYS 17 8.969 -6.816 -9.096 109 HZ3 LYS 17 HZ3 LYS 17 10.607 -6.503 -9.378 110 H HIS 18 H HIS 18 10.426 -8.610 -1.871 111 HA HIS 18 HA HIS 18 11.811 -9.995 -0.713 112 HB2 HIS 18 HB2 HIS 18 13.735 -9.699 -3.024 113 HB3 HIS 18 HB3 HIS 18 13.654 -11.022 -1.864 114 HD1 HIS 18 HD1 HIS 18 12.155 -12.948 -2.434 115 HD2 HIS 18 HD2 HIS 18 11.504 -9.647 -4.871 116 HE1 HIS 18 HE1 HIS 18 10.580 -13.738 -4.228 117 H LEU 19 H LEU 19 11.892 -7.325 -0.021 118 HA LEU 19 HA LEU 19 14.726 -6.961 0.698 119 HB2 LEU 19 HB2 LEU 19 12.669 -4.802 0.259 120 HB3 LEU 19 HB3 LEU 19 14.354 -4.557 0.713 121 HG LEU 19 HG LEU 19 13.921 -6.038 -1.798 122 HD11 LEU 19 HD11 LEU 19 13.161 -4.279 -3.101 123 HD12 LEU 19 HD12 LEU 19 13.519 -3.074 -1.865 124 HD13 LEU 19 HD13 LEU 19 12.148 -4.164 -1.661 125 HD21 LEU 19 HD21 LEU 19 15.625 -3.622 -1.267 126 HD22 LEU 19 HD22 LEU 19 15.846 -4.880 -2.483 127 HD23 LEU 19 HD23 LEU 19 16.115 -5.244 -0.778 128 H SER 20 H SER 20 15.031 -5.683 2.723 129 HA SER 20 HA SER 20 12.891 -6.275 4.661 130 HB2 SER 20 HB2 SER 20 15.869 -6.626 4.877 131 HB3 SER 20 HB3 SER 20 14.883 -6.411 6.323 132 HG SER 20 HG SER 20 13.583 -8.207 5.392 133 H CYS 21 H CYS 21 12.028 -4.505 5.494 134 HA CYS 21 HA CYS 21 13.287 -1.940 5.219 135 HB2 CYS 21 HB2 CYS 21 10.726 -2.626 5.230 136 HB3 CYS 21 HB3 CYS 21 10.894 -2.336 6.959 137 H ARG 22 H ARG 22 14.903 -1.360 6.510 138 HA ARG 22 HA ARG 22 15.236 -2.461 9.141 139 HB2 ARG 22 HB2 ARG 22 16.741 -0.195 7.822 140 HB3 ARG 22 HB3 ARG 22 17.246 -1.095 9.246 141 HG2 ARG 22 HG2 ARG 22 16.759 -2.510 6.660 142 HG3 ARG 22 HG3 ARG 22 18.281 -1.666 6.952 143 HD2 ARG 22 HD2 ARG 22 17.099 -3.862 8.649 144 HD3 ARG 22 HD3 ARG 22 18.470 -4.017 7.550 145 HE ARG 22 HE ARG 22 18.510 -2.975 10.208 146 HH11 ARG 22 HH11 ARG 22 20.019 -2.757 7.079 147 HH12 ARG 22 HH12 ARG 22 21.532 -2.191 7.703 148 HH21 ARG 22 HH21 ARG 22 20.497 -2.230 11.043 149 HH22 ARG 22 HH22 ARG 22 21.804 -1.892 9.958 150 H SER 23 H SER 23 14.705 -1.594 11.060 151 HA SER 23 HA SER 23 12.944 0.670 11.110 152 HB2 SER 23 HB2 SER 23 13.298 0.207 13.710 153 HB3 SER 23 HB3 SER 23 12.281 -0.836 12.715 154 HG SER 23 HG SER 23 14.729 -1.343 13.892 155 H ASP 24 H ASP 24 16.235 0.422 11.008 156 HA ASP 24 HA ASP 24 16.831 2.608 12.822 157 HB2 ASP 24 HB2 ASP 24 18.374 0.647 12.483 158 HB3 ASP 24 HB3 ASP 24 18.690 1.256 10.860 159 H TRP 25 H TRP 25 17.346 2.022 9.339 160 HA TRP 25 HA TRP 25 17.519 4.898 8.895 161 HB2 TRP 25 HB2 TRP 25 18.236 2.462 7.332 162 HB3 TRP 25 HB3 TRP 25 17.858 3.932 6.438 163 HD1 TRP 25 HD1 TRP 25 20.094 3.142 9.528 164 HE1 TRP 25 HE1 TRP 25 22.332 4.372 9.208 165 HE3 TRP 25 HE3 TRP 25 19.149 5.387 5.034 166 HZ2 TRP 25 HZ2 TRP 25 23.537 6.070 7.302 167 HZ3 TRP 25 HZ3 TRP 25 20.897 6.799 4.031 168 HH2 TRP 25 HH2 TRP 25 23.044 7.133 5.143 169 H LYS 26 H LYS 26 15.200 2.439 8.790 170 HA LYS 26 HA LYS 26 13.022 2.382 8.137 171 HB2 LYS 26 HB2 LYS 26 13.256 5.319 7.496 172 HB3 LYS 26 HB3 LYS 26 11.813 4.423 7.952 173 HG2 LYS 26 HG2 LYS 26 13.001 4.004 10.178 174 HG3 LYS 26 HG3 LYS 26 14.105 5.286 9.677 175 HD2 LYS 26 HD2 LYS 26 12.405 6.900 9.666 176 HD3 LYS 26 HD3 LYS 26 11.129 5.682 9.658 177 HE2 LYS 26 HE2 LYS 26 11.074 6.372 11.851 178 HE3 LYS 26 HE3 LYS 26 12.173 4.997 11.953 179 HZ1 LYS 26 HZ1 LYS 26 12.975 7.851 11.773 180 HZ2 LYS 26 HZ2 LYS 26 14.039 6.538 11.844 181 HZ3 LYS 26 HZ3 LYS 26 13.039 6.889 13.163 182 H TYR 27 H TYR 27 14.683 1.439 6.282 183 HA TYR 27 HA TYR 27 13.317 2.107 3.815 184 HB2 TYR 27 HB2 TYR 27 15.186 2.727 2.547 185 HB3 TYR 27 HB3 TYR 27 15.409 3.597 4.060 186 HD1 TYR 27 HD2 TYR 27 16.616 1.804 5.879 187 HD2 TYR 27 HD1 TYR 27 17.202 2.044 1.672 188 HE1 TYR 27 HE2 TYR 27 18.842 0.791 6.137 189 HE2 TYR 27 HE1 TYR 27 19.430 1.031 1.918 190 HH TYR 27 HH TYR 27 21.067 0.529 3.438 191 H CYS 28 H CYS 28 13.634 0.524 2.145 192 HA CYS 28 HA CYS 28 13.751 -2.122 3.130 193 HB2 CYS 28 HB2 CYS 28 13.578 -0.894 0.401 194 HB3 CYS 28 HB3 CYS 28 13.879 -2.622 0.559 195 H ALA 29 H ALA 29 15.236 -3.805 2.560 196 HA ALA 29 HA ALA 29 17.900 -2.918 1.712 197 HB1 ALA 29 HB1 ALA 29 17.353 -4.546 4.191 198 HB2 ALA 29 HB2 ALA 29 18.950 -4.216 3.518 199 HB3 ALA 29 HB3 ALA 29 17.961 -2.892 4.135 200 H TRP 30 H TRP 30 19.058 -4.408 0.556 201 HA TRP 30 HA TRP 30 17.588 -6.580 -0.588 202 HB2 TRP 30 HB2 TRP 30 20.198 -5.273 -1.039 203 HB3 TRP 30 HB3 TRP 30 20.124 -6.978 -1.472 204 HD1 TRP 30 HD1 TRP 30 19.947 -3.943 -3.209 205 HE1 TRP 30 HE1 TRP 30 18.365 -4.007 -5.238 206 HE3 TRP 30 HE3 TRP 30 17.260 -8.125 -2.012 207 HZ2 TRP 30 HZ2 TRP 30 16.257 -5.617 -6.203 208 HZ3 TRP 30 HZ3 TRP 30 15.478 -8.859 -3.541 209 HH2 TRP 30 HH2 TRP 30 14.988 -7.629 -5.592 210 H ASP 31 H ASP 31 18.586 -8.793 -0.766 211 HA ASP 31 HA ASP 31 19.059 -10.760 0.283 212 HB2 ASP 31 HB2 ASP 31 21.187 -9.229 1.774 213 HB3 ASP 31 HB3 ASP 31 21.209 -10.918 1.273 214 H GLY 32 H GLY 32 16.998 -9.265 1.495 215 HA2 GLY 32 HA2 GLY 32 15.730 -9.244 3.407 216 HA3 GLY 32 HA3 GLY 32 16.694 -10.618 3.927 217 H THR 33 H THR 33 16.931 -10.062 6.048 218 HA THR 33 HA THR 33 17.834 -7.410 6.784 219 HB THR 33 HB THR 33 17.445 -9.844 8.536 220 HG1 THR 33 HG1 THR 33 15.685 -7.634 8.340 221 HG21 THR 33 HG21 THR 33 18.764 -8.415 9.801 222 HG22 THR 33 HG22 THR 33 17.136 -7.908 10.252 223 HG23 THR 33 HG23 THR 33 18.061 -6.967 9.083 224 H PHE 34 H PHE 34 19.834 -6.856 7.550 225 HA PHE 34 HA PHE 34 22.029 -8.514 6.746 226 HB2 PHE 34 HB2 PHE 34 21.748 -5.791 7.956 227 HB3 PHE 34 HB3 PHE 34 23.319 -6.586 7.989 228 HD1 PHE 34 HD1 PHE 34 20.646 -5.348 5.762 229 HD2 PHE 34 HD2 PHE 34 24.672 -6.699 6.066 230 HE1 PHE 34 HE1 PHE 34 21.068 -4.598 3.457 231 HE2 PHE 34 HE2 PHE 34 25.100 -5.949 3.762 232 HZ PHE 34 HZ PHE 34 23.298 -4.897 2.455 233 H SER 35 H SER 35 23.635 -9.424 8.056 234 HA SER 35 HA SER 35 22.670 -10.309 10.645 235 HB2 SER 35 HB2 SER 35 24.866 -11.670 10.546 236 HB3 SER 35 HB3 SER 35 23.588 -12.078 9.401 237 HG SER 35 HG SER 35 25.688 -11.886 8.435 Start of MODEL 5 1 H1 GLU 1 H GLU 1 2.393 1.614 0.290 2 HA GLU 1 HA GLU 1 1.846 -0.551 -1.623 3 HB2 GLU 1 HB2 GLU 1 1.421 1.774 -2.390 4 HB3 GLU 1 HB3 GLU 1 3.121 2.142 -2.132 5 HG2 GLU 1 HG2 GLU 1 3.810 0.859 -3.921 6 HG3 GLU 1 HG3 GLU 1 2.341 -0.115 -3.921 7 H CYS 2 H CYS 2 3.521 -1.689 -2.587 8 HA CYS 2 HA CYS 2 5.874 -1.999 -0.987 9 HB2 CYS 2 HB2 CYS 2 5.367 -3.214 -3.704 10 HB3 CYS 2 HB3 CYS 2 6.424 -3.821 -2.434 11 H ARG 3 H ARG 3 7.947 -1.388 -1.401 12 HA ARG 3 HA ARG 3 8.471 0.101 -3.879 13 HB2 ARG 3 HB2 ARG 3 9.488 1.002 -1.187 14 HB3 ARG 3 HB3 ARG 3 9.563 1.870 -2.715 15 HG2 ARG 3 HG2 ARG 3 6.851 1.386 -2.281 16 HG3 ARG 3 HG3 ARG 3 7.503 1.862 -0.712 17 HD2 ARG 3 HD2 ARG 3 8.511 3.849 -1.768 18 HD3 ARG 3 HD3 ARG 3 7.781 3.381 -3.303 19 HE ARG 3 HE ARG 3 5.851 3.614 -1.212 20 HH11 ARG 3 HH11 ARG 3 7.734 5.423 -3.514 21 HH12 ARG 3 HH12 ARG 3 6.616 6.744 -3.587 22 HH21 ARG 3 HH21 ARG 3 4.371 5.348 -1.299 23 HH22 ARG 3 HH22 ARG 3 4.704 6.701 -2.325 24 H TYR 4 H TYR 4 10.929 0.569 -4.033 25 HA TYR 4 HA TYR 4 12.266 -1.989 -3.708 26 HB2 TYR 4 HB2 TYR 4 14.124 -0.597 -4.960 27 HB3 TYR 4 HB3 TYR 4 12.718 -1.204 -5.826 28 HD1 TYR 4 HD2 TYR 4 14.240 1.801 -4.316 29 HD2 TYR 4 HD1 TYR 4 11.123 0.287 -6.785 30 HE1 TYR 4 HE2 TYR 4 13.703 4.091 -5.033 31 HE2 TYR 4 HE1 TYR 4 10.579 2.573 -7.509 32 HH TYR 4 HH TYR 4 12.154 4.898 -7.601 33 H LEU 5 H LEU 5 14.843 -1.501 -3.389 34 HA LEU 5 HA LEU 5 15.218 -1.144 -0.678 35 HB2 LEU 5 HB2 LEU 5 16.806 -2.144 -2.377 36 HB3 LEU 5 HB3 LEU 5 17.302 -0.494 -2.748 37 HG LEU 5 HG LEU 5 17.479 -1.559 0.049 38 HD11 LEU 5 HD11 LEU 5 19.493 -1.922 -2.163 39 HD12 LEU 5 HD12 LEU 5 18.660 -3.188 -1.262 40 HD13 LEU 5 HD13 LEU 5 19.832 -2.153 -0.447 41 HD21 LEU 5 HD21 LEU 5 17.787 0.780 -0.089 42 HD22 LEU 5 HD22 LEU 5 18.809 0.637 -1.519 43 HD23 LEU 5 HD23 LEU 5 19.401 0.083 0.048 44 H PHE 6 H PHE 6 15.739 1.229 -3.275 45 HA PHE 6 HA PHE 6 16.376 3.332 -1.424 46 HB2 PHE 6 HB2 PHE 6 15.785 3.396 -4.390 47 HB3 PHE 6 HB3 PHE 6 16.340 4.778 -3.452 48 HD1 PHE 6 HD2 PHE 6 18.517 4.167 -1.963 49 HD2 PHE 6 HD1 PHE 6 17.377 2.316 -5.622 50 HE1 PHE 6 HE2 PHE 6 20.851 3.489 -2.344 51 HE2 PHE 6 HE1 PHE 6 19.709 1.634 -6.008 52 HZ PHE 6 HZ PHE 6 21.450 2.220 -4.367 53 H GLY 7 H GLY 7 13.530 1.868 -2.272 54 HA2 GLY 7 HA2 GLY 7 11.717 3.949 -2.669 55 HA3 GLY 7 HA3 GLY 7 11.325 2.405 -1.928 56 H GLY 8 H GLY 8 12.059 2.218 0.427 57 HA2 GLY 8 HA2 GLY 8 12.529 3.399 2.488 58 HA3 GLY 8 HA3 GLY 8 11.750 4.813 1.794 59 H CYS 9 H CYS 9 11.343 2.832 4.198 60 HA CYS 9 HA CYS 9 8.474 3.124 4.215 61 HB2 CYS 9 HB2 CYS 9 8.195 0.637 4.803 62 HB3 CYS 9 HB3 CYS 9 8.421 1.052 3.107 63 H SER 10 H SER 10 7.651 1.862 6.325 64 HA SER 10 HA SER 10 9.495 2.670 8.475 65 HB2 SER 10 HB2 SER 10 7.395 3.971 8.367 66 HB3 SER 10 HB3 SER 10 6.473 2.479 8.554 67 HG SER 10 HG SER 10 6.715 3.484 10.557 68 H SER 11 H SER 11 7.649 0.079 7.142 69 HA SER 11 HA SER 11 8.614 -1.679 9.292 70 HB2 SER 11 HB2 SER 11 6.232 -1.295 9.687 71 HB3 SER 11 HB3 SER 11 5.863 -1.766 8.028 72 HG SER 11 HG SER 11 5.573 -3.452 9.625 73 H THR 12 H THR 12 8.685 -3.979 8.645 74 HA THR 12 HA THR 12 9.980 -4.260 6.125 75 HB THR 12 HB THR 12 10.000 -6.717 6.700 76 HG1 THR 12 HG1 THR 12 9.089 -5.989 9.264 77 HG21 THR 12 HG21 THR 12 11.159 -4.544 8.356 78 HG22 THR 12 HG22 THR 12 11.962 -5.778 7.385 79 HG23 THR 12 HG23 THR 12 11.303 -6.191 8.968 80 H SER 13 H SER 13 6.734 -4.719 7.241 81 HA SER 13 HA SER 13 5.781 -6.539 5.345 82 HB2 SER 13 HB2 SER 13 4.541 -5.748 7.379 83 HB3 SER 13 HB3 SER 13 4.226 -4.232 6.535 84 HG SER 13 HG SER 13 2.479 -5.495 6.137 85 H ASP 14 H ASP 14 6.721 -3.253 5.021 86 HA ASP 14 HA ASP 14 5.175 -2.626 2.708 87 HB2 ASP 14 HB2 ASP 14 7.554 -1.385 4.054 88 HB3 ASP 14 HB3 ASP 14 7.031 -0.812 2.473 89 H CYS 15 H CYS 15 8.433 -3.874 3.249 90 HA CYS 15 HA CYS 15 9.256 -3.779 0.539 91 HB2 CYS 15 HB2 CYS 15 10.243 -5.529 2.803 92 HB3 CYS 15 HB3 CYS 15 11.063 -5.303 1.261 93 H CYS 16 H CYS 16 8.434 -4.910 -1.080 94 HA CYS 16 HA CYS 16 7.465 -7.642 -0.541 95 HB2 CYS 16 HB2 CYS 16 6.426 -5.802 -2.701 96 HB3 CYS 16 HB3 CYS 16 5.756 -7.352 -2.202 97 H LYS 17 H LYS 17 9.751 -5.794 -2.115 98 HA LYS 17 HA LYS 17 10.067 -7.629 -4.366 99 HB2 LYS 17 HB2 LYS 17 11.262 -4.971 -3.645 100 HB3 LYS 17 HB3 LYS 17 12.030 -5.993 -4.854 101 HG2 LYS 17 HG2 LYS 17 10.714 -4.731 -6.206 102 HG3 LYS 17 HG3 LYS 17 9.588 -6.043 -5.854 103 HD2 LYS 17 HD2 LYS 17 8.557 -4.710 -4.097 104 HD3 LYS 17 HD3 LYS 17 9.715 -3.409 -4.384 105 HE2 LYS 17 HE2 LYS 17 7.656 -4.442 -6.333 106 HE3 LYS 17 HE3 LYS 17 7.588 -2.916 -5.453 107 HZ1 LYS 17 HZ1 LYS 17 9.759 -2.378 -6.599 108 HZ2 LYS 17 HZ2 LYS 17 8.378 -2.383 -7.575 109 HZ3 LYS 17 HZ3 LYS 17 9.449 -3.692 -7.618 110 H HIS 18 H HIS 18 10.500 -8.710 -1.789 111 HA HIS 18 HA HIS 18 11.967 -10.056 -0.688 112 HB2 HIS 18 HB2 HIS 18 13.818 -9.675 -3.043 113 HB3 HIS 18 HB3 HIS 18 13.799 -11.017 -1.903 114 HD1 HIS 18 HD1 HIS 18 13.018 -10.497 -5.223 115 HD2 HIS 18 HD2 HIS 18 10.864 -12.142 -2.074 116 HE1 HIS 18 HE1 HIS 18 11.252 -11.931 -6.294 117 H LEU 19 H LEU 19 11.978 -7.374 0.003 118 HA LEU 19 HA LEU 19 14.814 -6.940 0.674 119 HB2 LEU 19 HB2 LEU 19 12.710 -4.826 0.241 120 HB3 LEU 19 HB3 LEU 19 14.396 -4.544 0.671 121 HG LEU 19 HG LEU 19 13.967 -6.059 -1.819 122 HD11 LEU 19 HD11 LEU 19 13.107 -4.368 -3.124 123 HD12 LEU 19 HD12 LEU 19 13.515 -3.111 -1.956 124 HD13 LEU 19 HD13 LEU 19 12.158 -4.195 -1.647 125 HD21 LEU 19 HD21 LEU 19 15.615 -3.594 -1.329 126 HD22 LEU 19 HD22 LEU 19 15.851 -4.853 -2.542 127 HD23 LEU 19 HD23 LEU 19 16.153 -5.201 -0.839 128 H SER 20 H SER 20 15.122 -5.648 2.685 129 HA SER 20 HA SER 20 13.009 -6.245 4.652 130 HB2 SER 20 HB2 SER 20 15.971 -6.659 4.780 131 HB3 SER 20 HB3 SER 20 15.092 -6.298 6.266 132 HG SER 20 HG SER 20 13.701 -8.093 5.694 133 H CYS 21 H CYS 21 12.151 -4.478 5.496 134 HA CYS 21 HA CYS 21 13.353 -1.901 5.164 135 HB2 CYS 21 HB2 CYS 21 10.811 -2.633 5.315 136 HB3 CYS 21 HB3 CYS 21 11.063 -2.333 7.032 137 H ARG 22 H ARG 22 15.124 -1.459 6.331 138 HA ARG 22 HA ARG 22 15.557 -2.466 8.968 139 HB2 ARG 22 HB2 ARG 22 16.996 -0.466 7.239 140 HB3 ARG 22 HB3 ARG 22 17.489 -0.769 8.899 141 HG2 ARG 22 HG2 ARG 22 17.153 -3.173 7.250 142 HG3 ARG 22 HG3 ARG 22 18.450 -2.088 6.746 143 HD2 ARG 22 HD2 ARG 22 19.279 -3.760 8.309 144 HD3 ARG 22 HD3 ARG 22 19.375 -2.145 9.009 145 HE ARG 22 HE ARG 22 17.836 -2.769 10.597 146 HH11 ARG 22 HH11 ARG 22 17.943 -5.160 8.068 147 HH12 ARG 22 HH12 ARG 22 16.967 -6.303 8.930 148 HH21 ARG 22 HH21 ARG 22 16.551 -4.266 11.741 149 HH22 ARG 22 HH22 ARG 22 16.175 -5.794 11.018 150 H SER 23 H SER 23 15.139 -1.561 10.897 151 HA SER 23 HA SER 23 13.409 0.724 11.003 152 HB2 SER 23 HB2 SER 23 13.326 -1.322 12.535 153 HB3 SER 23 HB3 SER 23 14.710 -0.620 13.372 154 HG SER 23 HG SER 23 13.278 0.488 14.425 155 H ASP 24 H ASP 24 16.695 0.424 10.749 156 HA ASP 24 HA ASP 24 17.479 2.552 12.521 157 HB2 ASP 24 HB2 ASP 24 18.947 1.062 10.341 158 HB3 ASP 24 HB3 ASP 24 19.685 2.335 11.309 159 H TRP 25 H TRP 25 17.533 2.200 8.970 160 HA TRP 25 HA TRP 25 17.520 5.120 8.734 161 HB2 TRP 25 HB2 TRP 25 18.474 2.887 7.049 162 HB3 TRP 25 HB3 TRP 25 17.757 4.239 6.178 163 HD1 TRP 25 HD1 TRP 25 20.341 3.937 9.077 164 HE1 TRP 25 HE1 TRP 25 22.271 5.564 8.576 165 HE3 TRP 25 HE3 TRP 25 18.626 5.900 4.679 166 HZ2 TRP 25 HZ2 TRP 25 22.973 7.433 6.580 167 HZ3 TRP 25 HZ3 TRP 25 19.986 7.603 3.538 168 HH2 TRP 25 HH2 TRP 25 22.114 8.353 4.470 169 H LYS 26 H LYS 26 15.388 2.542 8.686 170 HA LYS 26 HA LYS 26 13.185 2.343 8.154 171 HB2 LYS 26 HB2 LYS 26 13.197 5.291 7.519 172 HB3 LYS 26 HB3 LYS 26 11.838 4.303 8.041 173 HG2 LYS 26 HG2 LYS 26 12.958 3.998 10.227 174 HG3 LYS 26 HG3 LYS 26 14.224 5.106 9.692 175 HD2 LYS 26 HD2 LYS 26 11.375 5.977 9.533 176 HD3 LYS 26 HD3 LYS 26 12.182 5.970 11.104 177 HE2 LYS 26 HE2 LYS 26 13.548 7.233 8.774 178 HE3 LYS 26 HE3 LYS 26 12.232 8.099 9.565 179 HZ1 LYS 26 HZ1 LYS 26 13.894 8.823 10.871 180 HZ2 LYS 26 HZ2 LYS 26 14.906 7.512 10.528 181 HZ3 LYS 26 HZ3 LYS 26 13.671 7.350 11.672 182 H TYR 27 H TYR 27 14.795 1.511 6.205 183 HA TYR 27 HA TYR 27 13.254 2.099 3.820 184 HB2 TYR 27 HB2 TYR 27 15.019 2.817 2.451 185 HB3 TYR 27 HB3 TYR 27 15.258 3.711 3.948 186 HD1 TYR 27 HD2 TYR 27 16.689 2.084 5.719 187 HD2 TYR 27 HD1 TYR 27 17.003 2.183 1.477 188 HE1 TYR 27 HE2 TYR 27 18.985 1.216 5.875 189 HE2 TYR 27 HE1 TYR 27 19.299 1.314 1.621 190 HH TYR 27 HH TYR 27 21.176 1.372 3.478 191 H CYS 28 H CYS 28 13.401 0.487 2.224 192 HA CYS 28 HA CYS 28 13.733 -2.124 3.140 193 HB2 CYS 28 HB2 CYS 28 13.513 -0.909 0.404 194 HB3 CYS 28 HB3 CYS 28 13.825 -2.633 0.583 195 H ALA 29 H ALA 29 15.256 -3.764 2.439 196 HA ALA 29 HA ALA 29 17.874 -2.782 1.579 197 HB1 ALA 29 HB1 ALA 29 18.966 -4.137 3.387 198 HB2 ALA 29 HB2 ALA 29 18.109 -2.699 3.944 199 HB3 ALA 29 HB3 ALA 29 17.376 -4.292 4.136 200 H TRP 30 H TRP 30 19.086 -4.261 0.449 201 HA TRP 30 HA TRP 30 17.666 -6.494 -0.649 202 HB2 TRP 30 HB2 TRP 30 20.223 -5.104 -1.162 203 HB3 TRP 30 HB3 TRP 30 20.199 -6.817 -1.571 204 HD1 TRP 30 HD1 TRP 30 19.890 -3.815 -3.345 205 HE1 TRP 30 HE1 TRP 30 18.278 -3.961 -5.346 206 HE3 TRP 30 HE3 TRP 30 17.369 -8.068 -2.046 207 HZ2 TRP 30 HZ2 TRP 30 16.210 -5.655 -6.253 208 HZ3 TRP 30 HZ3 TRP 30 15.588 -8.884 -3.535 209 HH2 TRP 30 HH2 TRP 30 15.022 -7.701 -5.594 210 H ASP 31 H ASP 31 18.737 -8.673 -0.813 211 HA ASP 31 HA ASP 31 19.338 -10.605 0.232 212 HB2 ASP 31 HB2 ASP 31 21.558 -9.402 0.041 213 HB3 ASP 31 HB3 ASP 31 21.344 -8.904 1.717 214 H GLY 32 H GLY 32 17.281 -8.907 1.480 215 HA2 GLY 32 HA2 GLY 32 15.999 -8.888 3.383 216 HA3 GLY 32 HA3 GLY 32 16.791 -10.404 3.788 217 H THR 33 H THR 33 17.246 -10.180 5.899 218 HA THR 33 HA THR 33 18.217 -7.691 6.985 219 HB THR 33 HB THR 33 18.312 -8.868 9.127 220 HG1 THR 33 HG1 THR 33 17.339 -11.195 7.837 221 HG21 THR 33 HG21 THR 33 16.094 -8.106 7.910 222 HG22 THR 33 HG22 THR 33 16.041 -8.965 9.450 223 HG23 THR 33 HG23 THR 33 15.755 -9.836 7.943 224 H PHE 34 H PHE 34 20.199 -7.687 8.381 225 HA PHE 34 HA PHE 34 22.343 -9.286 7.144 226 HB2 PHE 34 HB2 PHE 34 22.445 -6.403 8.054 227 HB3 PHE 34 HB3 PHE 34 23.844 -7.333 7.526 228 HD1 PHE 34 HD2 PHE 34 23.681 -8.379 5.152 229 HD2 PHE 34 HD1 PHE 34 21.262 -5.156 6.520 230 HE1 PHE 34 HE2 PHE 34 23.232 -7.732 2.821 231 HE2 PHE 34 HE1 PHE 34 20.808 -4.503 4.191 232 HZ PHE 34 HZ PHE 34 21.795 -5.791 2.338 233 H SER 35 H SER 35 24.219 -9.672 8.503 234 HA SER 35 HA SER 35 23.495 -10.558 11.089 235 HB2 SER 35 HB2 SER 35 25.328 -11.496 9.576 236 HB3 SER 35 HB3 SER 35 26.329 -10.153 10.130 237 HG SER 35 HG SER 35 26.582 -12.104 11.369 Start of MODEL 6 1 H1 GLU 1 H GLU 1 1.710 1.447 -0.422 2 HA GLU 1 HA GLU 1 1.727 -0.689 -2.429 3 HB2 GLU 1 HB2 GLU 1 2.529 2.213 -2.516 4 HB3 GLU 1 HB3 GLU 1 2.960 1.089 -3.797 5 HG2 GLU 1 HG2 GLU 1 1.023 2.121 -4.561 6 HG3 GLU 1 HG3 GLU 1 0.471 0.565 -3.945 7 H CYS 2 H CYS 2 3.550 -1.777 -3.010 8 HA CYS 2 HA CYS 2 5.698 -1.845 -1.125 9 HB2 CYS 2 HB2 CYS 2 5.589 -3.198 -3.824 10 HB3 CYS 2 HB3 CYS 2 6.570 -3.659 -2.437 11 H ARG 3 H ARG 3 7.877 -1.342 -1.457 12 HA ARG 3 HA ARG 3 8.479 0.315 -3.810 13 HB2 ARG 3 HB2 ARG 3 9.489 0.994 -1.055 14 HB3 ARG 3 HB3 ARG 3 9.529 1.989 -2.504 15 HG2 ARG 3 HG2 ARG 3 6.829 1.436 -2.067 16 HG3 ARG 3 HG3 ARG 3 7.505 1.790 -0.475 17 HD2 ARG 3 HD2 ARG 3 8.454 3.875 -1.357 18 HD3 ARG 3 HD3 ARG 3 7.748 3.520 -2.934 19 HE ARG 3 HE ARG 3 5.806 3.554 -0.832 20 HH11 ARG 3 HH11 ARG 3 7.626 5.540 -3.037 21 HH12 ARG 3 HH12 ARG 3 6.471 6.831 -3.034 22 HH21 ARG 3 HH21 ARG 3 4.277 5.247 -0.819 23 HH22 ARG 3 HH22 ARG 3 4.567 6.664 -1.771 24 H TYR 4 H TYR 4 10.950 0.767 -3.861 25 HA TYR 4 HA TYR 4 12.257 -1.832 -3.626 26 HB2 TYR 4 HB2 TYR 4 14.101 -0.436 -4.906 27 HB3 TYR 4 HB3 TYR 4 12.688 -1.060 -5.750 28 HD1 TYR 4 HD2 TYR 4 14.149 1.974 -4.214 29 HD2 TYR 4 HD1 TYR 4 11.124 0.405 -6.761 30 HE1 TYR 4 HE2 TYR 4 13.585 4.256 -4.940 31 HE2 TYR 4 HE1 TYR 4 10.552 2.681 -7.494 32 HH TYR 4 HH TYR 4 11.492 4.872 -7.603 33 H LEU 5 H LEU 5 14.847 -1.335 -3.361 34 HA LEU 5 HA LEU 5 15.282 -1.004 -0.660 35 HB2 LEU 5 HB2 LEU 5 16.829 -1.897 -2.524 36 HB3 LEU 5 HB3 LEU 5 17.360 -0.223 -2.673 37 HG LEU 5 HG LEU 5 17.508 -1.775 -0.096 38 HD11 LEU 5 HD11 LEU 5 20.047 -1.686 -0.820 39 HD12 LEU 5 HD12 LEU 5 19.338 -1.709 -2.434 40 HD13 LEU 5 HD13 LEU 5 18.992 -3.015 -1.301 41 HD21 LEU 5 HD21 LEU 5 17.611 0.523 0.359 42 HD22 LEU 5 HD22 LEU 5 18.596 0.850 -1.067 43 HD23 LEU 5 HD23 LEU 5 19.295 -0.001 0.311 44 H PHE 6 H PHE 6 15.701 1.416 -3.232 45 HA PHE 6 HA PHE 6 16.355 3.501 -1.367 46 HB2 PHE 6 HB2 PHE 6 15.763 3.500 -4.327 47 HB3 PHE 6 HB3 PHE 6 16.121 4.970 -3.426 48 HD1 PHE 6 HD1 PHE 6 17.508 1.605 -4.188 49 HD2 PHE 6 HD2 PHE 6 18.313 5.658 -3.166 50 HE1 PHE 6 HE1 PHE 6 19.916 1.202 -4.496 51 HE2 PHE 6 HE2 PHE 6 20.722 5.261 -3.473 52 HZ PHE 6 HZ PHE 6 21.526 3.030 -4.138 53 H GLY 7 H GLY 7 13.499 2.024 -2.246 54 HA2 GLY 7 HA2 GLY 7 11.631 4.030 -2.560 55 HA3 GLY 7 HA3 GLY 7 11.308 2.506 -1.747 56 H GLY 8 H GLY 8 12.144 2.426 0.581 57 HA2 GLY 8 HA2 GLY 8 12.632 3.641 2.597 58 HA3 GLY 8 HA3 GLY 8 11.894 5.061 1.871 59 H CYS 9 H CYS 9 11.443 2.491 3.978 60 HA CYS 9 HA CYS 9 8.588 3.129 4.184 61 HB2 CYS 9 HB2 CYS 9 8.229 0.642 4.710 62 HB3 CYS 9 HB3 CYS 9 8.464 1.086 3.023 63 H SER 10 H SER 10 7.750 1.845 6.274 64 HA SER 10 HA SER 10 9.641 2.548 8.419 65 HB2 SER 10 HB2 SER 10 7.686 2.932 9.842 66 HB3 SER 10 HB3 SER 10 7.574 3.902 8.373 67 HG SER 10 HG SER 10 5.600 2.881 8.799 68 H SER 11 H SER 11 7.730 0.032 7.040 69 HA SER 11 HA SER 11 8.682 -1.801 9.131 70 HB2 SER 11 HB2 SER 11 5.959 -2.089 7.863 71 HB3 SER 11 HB3 SER 11 6.592 -2.913 9.289 72 HG SER 11 HG SER 11 5.110 -1.107 9.679 73 H THR 12 H THR 12 8.641 -4.096 8.419 74 HA THR 12 HA THR 12 9.916 -4.352 5.888 75 HB THR 12 HB THR 12 9.983 -6.763 6.365 76 HG1 THR 12 HG1 THR 12 8.892 -7.613 8.078 77 HG21 THR 12 HG21 THR 12 11.780 -5.660 7.354 78 HG22 THR 12 HG22 THR 12 11.073 -6.543 8.707 79 HG23 THR 12 HG23 THR 12 10.752 -4.820 8.515 80 H SER 13 H SER 13 6.652 -4.602 6.956 81 HA SER 13 HA SER 13 5.572 -6.363 5.084 82 HB2 SER 13 HB2 SER 13 4.431 -5.276 7.108 83 HB3 SER 13 HB3 SER 13 4.133 -3.895 6.052 84 HG SER 13 HG SER 13 3.421 -6.476 5.202 85 H ASP 14 H ASP 14 6.762 -3.151 4.707 86 HA ASP 14 HA ASP 14 5.345 -2.522 2.306 87 HB2 ASP 14 HB2 ASP 14 7.680 -1.332 3.764 88 HB3 ASP 14 HB3 ASP 14 7.311 -0.802 2.125 89 H CYS 15 H CYS 15 8.519 -3.878 3.053 90 HA CYS 15 HA CYS 15 9.513 -3.884 0.409 91 HB2 CYS 15 HB2 CYS 15 10.222 -5.610 2.789 92 HB3 CYS 15 HB3 CYS 15 11.129 -5.584 1.280 93 H CYS 16 H CYS 16 8.667 -4.942 -1.250 94 HA CYS 16 HA CYS 16 7.513 -7.613 -0.774 95 HB2 CYS 16 HB2 CYS 16 6.729 -5.594 -2.888 96 HB3 CYS 16 HB3 CYS 16 6.027 -7.196 -2.690 97 H LYS 17 H LYS 17 9.947 -5.855 -2.303 98 HA LYS 17 HA LYS 17 10.320 -7.802 -4.448 99 HB2 LYS 17 HB2 LYS 17 12.067 -5.417 -3.855 100 HB3 LYS 17 HB3 LYS 17 11.917 -6.301 -5.369 101 HG2 LYS 17 HG2 LYS 17 9.726 -4.653 -4.125 102 HG3 LYS 17 HG3 LYS 17 10.810 -4.096 -5.402 103 HD2 LYS 17 HD2 LYS 17 9.102 -4.815 -6.715 104 HD3 LYS 17 HD3 LYS 17 9.948 -6.355 -6.540 105 HE2 LYS 17 HE2 LYS 17 8.396 -7.191 -5.060 106 HE3 LYS 17 HE3 LYS 17 7.889 -5.591 -4.522 107 HZ1 LYS 17 HZ1 LYS 17 6.913 -5.309 -6.802 108 HZ2 LYS 17 HZ2 LYS 17 6.141 -6.449 -5.819 109 HZ3 LYS 17 HZ3 LYS 17 7.182 -6.961 -7.051 110 H HIS 18 H HIS 18 10.630 -8.769 -1.811 111 HA HIS 18 HA HIS 18 12.026 -10.091 -0.595 112 HB2 HIS 18 HB2 HIS 18 14.009 -9.828 -2.856 113 HB3 HIS 18 HB3 HIS 18 13.878 -11.138 -1.685 114 HD1 HIS 18 HD1 HIS 18 12.873 -10.201 -5.028 115 HD2 HIS 18 HD2 HIS 18 11.376 -12.672 -2.043 116 HE1 HIS 18 HE1 HIS 18 11.247 -11.736 -6.179 117 H LEU 19 H LEU 19 12.059 -7.318 -0.115 118 HA LEU 19 HA LEU 19 14.877 -6.842 0.596 119 HB2 LEU 19 HB2 LEU 19 12.623 -4.889 0.168 120 HB3 LEU 19 HB3 LEU 19 14.221 -4.449 0.765 121 HG LEU 19 HG LEU 19 14.132 -5.881 -1.821 122 HD11 LEU 19 HD11 LEU 19 13.470 -2.959 -1.766 123 HD12 LEU 19 HD12 LEU 19 12.207 -4.189 -1.787 124 HD13 LEU 19 HD13 LEU 19 13.370 -4.096 -3.110 125 HD21 LEU 19 HD21 LEU 19 15.813 -3.954 -0.372 126 HD22 LEU 19 HD22 LEU 19 15.699 -3.691 -2.112 127 HD23 LEU 19 HD23 LEU 19 16.263 -5.242 -1.489 128 H SER 20 H SER 20 15.189 -5.579 2.628 129 HA SER 20 HA SER 20 13.188 -6.341 4.654 130 HB2 SER 20 HB2 SER 20 14.998 -6.732 6.236 131 HB3 SER 20 HB3 SER 20 15.255 -7.713 4.793 132 HG SER 20 HG SER 20 16.869 -6.379 4.160 133 H CYS 21 H CYS 21 12.226 -4.598 5.439 134 HA CYS 21 HA CYS 21 13.417 -1.988 5.249 135 HB2 CYS 21 HB2 CYS 21 10.874 -2.761 5.154 136 HB3 CYS 21 HB3 CYS 21 10.972 -2.465 6.887 137 H ARG 22 H ARG 22 15.017 -1.481 6.604 138 HA ARG 22 HA ARG 22 15.107 -2.544 9.292 139 HB2 ARG 22 HB2 ARG 22 16.936 -0.720 7.733 140 HB3 ARG 22 HB3 ARG 22 17.216 -1.135 9.419 141 HG2 ARG 22 HG2 ARG 22 17.005 -3.592 8.509 142 HG3 ARG 22 HG3 ARG 22 17.447 -2.821 6.984 143 HD2 ARG 22 HD2 ARG 22 19.513 -3.382 7.836 144 HD3 ARG 22 HD3 ARG 22 19.333 -1.723 8.404 145 HE ARG 22 HE ARG 22 18.312 -3.409 10.373 146 HH11 ARG 22 HH11 ARG 22 21.364 -2.693 8.858 147 HH12 ARG 22 HH12 ARG 22 22.302 -3.103 10.256 148 HH21 ARG 22 HH21 ARG 22 19.536 -3.952 12.219 149 HH22 ARG 22 HH22 ARG 22 21.261 -3.820 12.167 150 H SER 23 H SER 23 14.712 -1.466 11.159 151 HA SER 23 HA SER 23 13.131 0.920 11.007 152 HB2 SER 23 HB2 SER 23 12.700 -0.896 12.658 153 HB3 SER 23 HB3 SER 23 14.212 -0.480 13.465 154 HG SER 23 HG SER 23 12.060 0.497 14.178 155 H ASP 24 H ASP 24 16.405 0.396 10.987 156 HA ASP 24 HA ASP 24 17.264 2.550 12.665 157 HB2 ASP 24 HB2 ASP 24 18.700 0.985 10.512 158 HB3 ASP 24 HB3 ASP 24 19.473 2.184 11.545 159 H TRP 25 H TRP 25 17.337 2.117 9.122 160 HA TRP 25 HA TRP 25 17.438 5.034 8.834 161 HB2 TRP 25 HB2 TRP 25 18.343 2.741 7.171 162 HB3 TRP 25 HB3 TRP 25 17.807 4.188 6.322 163 HD1 TRP 25 HD1 TRP 25 20.190 3.497 9.325 164 HE1 TRP 25 HE1 TRP 25 22.278 4.969 9.019 165 HE3 TRP 25 HE3 TRP 25 18.885 5.866 4.987 166 HZ2 TRP 25 HZ2 TRP 25 23.245 6.883 7.183 167 HZ3 TRP 25 HZ3 TRP 25 20.447 7.504 4.022 168 HH2 TRP 25 HH2 TRP 25 22.581 8.001 5.099 169 H LYS 26 H LYS 26 15.285 2.448 8.656 170 HA LYS 26 HA LYS 26 13.108 2.275 8.018 171 HB2 LYS 26 HB2 LYS 26 13.157 5.238 7.463 172 HB3 LYS 26 HB3 LYS 26 11.774 4.242 7.897 173 HG2 LYS 26 HG2 LYS 26 12.756 3.889 10.126 174 HG3 LYS 26 HG3 LYS 26 14.092 4.955 9.683 175 HD2 LYS 26 HD2 LYS 26 11.273 5.916 9.426 176 HD3 LYS 26 HD3 LYS 26 12.054 5.900 11.009 177 HE2 LYS 26 HE2 LYS 26 13.458 7.122 8.672 178 HE3 LYS 26 HE3 LYS 26 12.186 8.024 9.495 179 HZ1 LYS 26 HZ1 LYS 26 13.676 7.149 11.551 180 HZ2 LYS 26 HZ2 LYS 26 13.844 8.669 10.828 181 HZ3 LYS 26 HZ3 LYS 26 14.864 7.398 10.373 182 H TYR 27 H TYR 27 14.797 1.483 6.124 183 HA TYR 27 HA TYR 27 13.375 2.146 3.687 184 HB2 TYR 27 HB2 TYR 27 15.201 2.896 2.424 185 HB3 TYR 27 HB3 TYR 27 15.386 3.738 3.958 186 HD1 TYR 27 HD2 TYR 27 16.718 2.020 5.731 187 HD2 TYR 27 HD1 TYR 27 17.227 2.296 1.516 188 HE1 TYR 27 HE2 TYR 27 18.998 1.123 5.953 189 HE2 TYR 27 HE1 TYR 27 19.507 1.399 1.726 190 HH TYR 27 HH TYR 27 21.259 1.202 3.405 191 H CYS 28 H CYS 28 13.370 0.500 2.203 192 HA CYS 28 HA CYS 28 13.772 -2.102 3.050 193 HB2 CYS 28 HB2 CYS 28 13.412 -0.820 0.378 194 HB3 CYS 28 HB3 CYS 28 13.887 -2.515 0.435 195 H ALA 29 H ALA 29 15.332 -3.687 2.581 196 HA ALA 29 HA ALA 29 17.929 -2.692 1.624 197 HB1 ALA 29 HB1 ALA 29 19.102 -3.444 3.437 198 HB2 ALA 29 HB2 ALA 29 17.594 -2.970 4.222 199 HB3 ALA 29 HB3 ALA 29 17.899 -4.667 3.849 200 H TRP 30 H TRP 30 19.148 -4.130 0.450 201 HA TRP 30 HA TRP 30 17.733 -6.344 -0.705 202 HB2 TRP 30 HB2 TRP 30 20.253 -4.893 -1.225 203 HB3 TRP 30 HB3 TRP 30 20.255 -6.594 -1.682 204 HD1 TRP 30 HD1 TRP 30 19.858 -3.552 -3.367 205 HE1 TRP 30 HE1 TRP 30 18.211 -3.673 -5.341 206 HE3 TRP 30 HE3 TRP 30 17.436 -7.883 -2.138 207 HZ2 TRP 30 HZ2 TRP 30 16.156 -5.379 -6.255 208 HZ3 TRP 30 HZ3 TRP 30 15.642 -8.691 -3.615 209 HH2 TRP 30 HH2 TRP 30 15.016 -7.463 -5.630 210 H ASP 31 H ASP 31 18.838 -8.498 -0.955 211 HA ASP 31 HA ASP 31 19.526 -10.445 0.001 212 HB2 ASP 31 HB2 ASP 31 21.674 -8.934 -0.016 213 HB3 ASP 31 HB3 ASP 31 21.448 -8.933 1.731 214 H GLY 32 H GLY 32 17.410 -8.841 1.307 215 HA2 GLY 32 HA2 GLY 32 16.132 -8.898 3.213 216 HA3 GLY 32 HA3 GLY 32 16.878 -10.462 3.501 217 H THR 33 H THR 33 16.827 -10.041 5.755 218 HA THR 33 HA THR 33 17.983 -7.806 6.994 219 HB THR 33 HB THR 33 18.085 -10.488 8.320 220 HG1 THR 33 HG1 THR 33 15.831 -10.306 8.716 221 HG21 THR 33 HG21 THR 33 18.674 -8.952 9.892 222 HG22 THR 33 HG22 THR 33 16.923 -8.827 10.068 223 HG23 THR 33 HG23 THR 33 17.799 -7.644 9.098 224 H PHE 34 H PHE 34 19.996 -7.493 7.979 225 HA PHE 34 HA PHE 34 22.151 -9.169 6.877 226 HB2 PHE 34 HB2 PHE 34 21.959 -6.236 7.456 227 HB3 PHE 34 HB3 PHE 34 23.533 -7.023 7.492 228 HD1 PHE 34 HD2 PHE 34 23.958 -8.601 5.373 229 HD2 PHE 34 HD1 PHE 34 21.316 -5.266 5.488 230 HE1 PHE 34 HE2 PHE 34 24.115 -8.397 2.926 231 HE2 PHE 34 HE1 PHE 34 21.468 -5.057 3.041 232 HZ PHE 34 HZ PHE 34 22.869 -6.623 1.757 233 H SER 35 H SER 35 23.319 -10.332 8.250 234 HA SER 35 HA SER 35 23.890 -9.396 10.921 235 HB2 SER 35 HB2 SER 35 22.078 -11.750 10.419 236 HB3 SER 35 HB3 SER 35 23.028 -11.620 11.899 237 HG SER 35 HG SER 35 21.478 -10.394 12.587 Start of MODEL 7 1 H1 GLU 1 H GLU 1 1.213 -1.984 -0.552 2 HA GLU 1 HA GLU 1 2.053 -0.010 -2.467 3 HB2 GLU 1 HB2 GLU 1 1.106 1.438 -0.727 4 HB3 GLU 1 HB3 GLU 1 2.127 0.668 0.479 5 HG2 GLU 1 HG2 GLU 1 4.093 1.442 -0.961 6 HG3 GLU 1 HG3 GLU 1 2.923 2.492 -1.757 7 H CYS 2 H CYS 2 3.981 -0.655 -3.134 8 HA CYS 2 HA CYS 2 5.875 -1.763 -1.185 9 HB2 CYS 2 HB2 CYS 2 5.469 -2.978 -3.918 10 HB3 CYS 2 HB3 CYS 2 6.453 -3.602 -2.598 11 H ARG 3 H ARG 3 7.985 -1.218 -1.513 12 HA ARG 3 HA ARG 3 8.644 0.279 -3.955 13 HB2 ARG 3 HB2 ARG 3 9.598 1.099 -1.213 14 HB3 ARG 3 HB3 ARG 3 9.768 1.985 -2.723 15 HG2 ARG 3 HG2 ARG 3 7.015 1.572 -2.360 16 HG3 ARG 3 HG3 ARG 3 7.659 2.078 -0.797 17 HD2 ARG 3 HD2 ARG 3 8.740 4.001 -1.900 18 HD3 ARG 3 HD3 ARG 3 8.015 3.507 -3.429 19 HE ARG 3 HE ARG 3 6.121 3.915 -1.297 20 HH11 ARG 3 HH11 ARG 3 7.885 5.394 -3.909 21 HH12 ARG 3 HH12 ARG 3 6.760 6.698 -4.103 22 HH21 ARG 3 HH21 ARG 3 4.633 5.625 -1.544 23 HH22 ARG 3 HH22 ARG 3 4.911 6.828 -2.757 24 H TYR 4 H TYR 4 11.121 0.661 -4.024 25 HA TYR 4 HA TYR 4 12.356 -1.948 -3.698 26 HB2 TYR 4 HB2 TYR 4 14.300 -0.605 -4.872 27 HB3 TYR 4 HB3 TYR 4 12.901 -1.150 -5.790 28 HD1 TYR 4 HD2 TYR 4 14.483 1.777 -4.191 29 HD2 TYR 4 HD1 TYR 4 11.386 0.410 -6.769 30 HE1 TYR 4 HE2 TYR 4 14.049 4.095 -4.890 31 HE2 TYR 4 HE1 TYR 4 10.945 2.724 -7.476 32 HH TYR 4 HH TYR 4 11.432 5.167 -6.183 33 H LEU 5 H LEU 5 14.939 -1.555 -3.294 34 HA LEU 5 HA LEU 5 15.243 -1.251 -0.568 35 HB2 LEU 5 HB2 LEU 5 16.844 -2.263 -2.270 36 HB3 LEU 5 HB3 LEU 5 17.425 -0.621 -2.535 37 HG LEU 5 HG LEU 5 17.445 -1.880 0.192 38 HD11 LEU 5 HD11 LEU 5 18.743 -3.426 -0.955 39 HD12 LEU 5 HD12 LEU 5 19.928 -2.256 -0.375 40 HD13 LEU 5 HD13 LEU 5 19.395 -2.212 -2.056 41 HD21 LEU 5 HD21 LEU 5 19.478 -0.246 0.250 42 HD22 LEU 5 HD22 LEU 5 17.838 0.375 0.443 43 HD23 LEU 5 HD23 LEU 5 18.658 0.515 -1.114 44 H PHE 6 H PHE 6 15.925 1.141 -3.111 45 HA PHE 6 HA PHE 6 16.574 3.193 -1.207 46 HB2 PHE 6 HB2 PHE 6 16.189 3.184 -4.198 47 HB3 PHE 6 HB3 PHE 6 16.501 4.664 -3.298 48 HD1 PHE 6 HD1 PHE 6 17.889 1.344 -4.142 49 HD2 PHE 6 HD2 PHE 6 18.675 5.244 -2.629 50 HE1 PHE 6 HE1 PHE 6 20.306 0.897 -4.256 51 HE2 PHE 6 HE2 PHE 6 21.093 4.804 -2.742 52 HZ PHE 6 HZ PHE 6 21.911 2.629 -3.557 53 H GLY 7 H GLY 7 13.708 1.843 -2.175 54 HA2 GLY 7 HA2 GLY 7 11.972 3.971 -2.608 55 HA3 GLY 7 HA3 GLY 7 11.515 2.446 -1.865 56 H GLY 8 H GLY 8 12.187 2.257 0.509 57 HA2 GLY 8 HA2 GLY 8 12.639 3.435 2.573 58 HA3 GLY 8 HA3 GLY 8 11.932 4.872 1.849 59 H CYS 9 H CYS 9 11.396 2.847 4.225 60 HA CYS 9 HA CYS 9 8.546 3.290 4.203 61 HB2 CYS 9 HB2 CYS 9 8.127 0.809 4.722 62 HB3 CYS 9 HB3 CYS 9 8.411 1.250 3.041 63 H SER 10 H SER 10 7.621 2.023 6.267 64 HA SER 10 HA SER 10 9.478 2.653 8.466 65 HB2 SER 10 HB2 SER 10 7.601 4.161 8.500 66 HB3 SER 10 HB3 SER 10 6.460 2.825 8.344 67 HG SER 10 HG SER 10 6.469 3.205 10.471 68 H SER 11 H SER 11 7.459 0.253 7.036 69 HA SER 11 HA SER 11 8.183 -1.609 9.197 70 HB2 SER 11 HB2 SER 11 5.832 -1.135 9.479 71 HB3 SER 11 HB3 SER 11 5.525 -1.411 7.765 72 HG SER 11 HG SER 11 5.139 -3.179 9.445 73 H THR 12 H THR 12 8.226 -3.879 8.528 74 HA THR 12 HA THR 12 9.631 -4.198 6.072 75 HB THR 12 HB THR 12 9.539 -6.653 6.631 76 HG1 THR 12 HG1 THR 12 7.889 -7.080 7.918 77 HG21 THR 12 HG21 THR 12 10.715 -4.517 8.295 78 HG22 THR 12 HG22 THR 12 11.491 -5.864 7.461 79 HG23 THR 12 HG23 THR 12 10.696 -6.127 9.013 80 H SER 13 H SER 13 6.320 -4.534 7.024 81 HA SER 13 HA SER 13 5.391 -6.312 5.077 82 HB2 SER 13 HB2 SER 13 4.026 -5.589 6.989 83 HB3 SER 13 HB3 SER 13 3.940 -3.960 6.319 84 HG SER 13 HG SER 13 2.121 -4.888 5.600 85 H ASP 14 H ASP 14 6.475 -3.065 4.812 86 HA ASP 14 HA ASP 14 5.070 -2.371 2.429 87 HB2 ASP 14 HB2 ASP 14 6.271 -0.836 4.164 88 HB3 ASP 14 HB3 ASP 14 7.706 -1.156 3.193 89 H CYS 15 H CYS 15 8.244 -3.754 3.122 90 HA CYS 15 HA CYS 15 9.198 -3.689 0.453 91 HB2 CYS 15 HB2 CYS 15 10.006 -5.465 2.766 92 HB3 CYS 15 HB3 CYS 15 10.901 -5.297 1.259 93 H CYS 16 H CYS 16 8.393 -4.779 -1.203 94 HA CYS 16 HA CYS 16 7.306 -7.476 -0.718 95 HB2 CYS 16 HB2 CYS 16 6.418 -5.579 -2.896 96 HB3 CYS 16 HB3 CYS 16 5.682 -7.117 -2.456 97 H LYS 17 H LYS 17 9.717 -5.706 -2.190 98 HA LYS 17 HA LYS 17 10.056 -7.541 -4.437 99 HB2 LYS 17 HB2 LYS 17 11.309 -4.928 -3.657 100 HB3 LYS 17 HB3 LYS 17 12.096 -5.972 -4.833 101 HG2 LYS 17 HG2 LYS 17 9.231 -5.178 -5.167 102 HG3 LYS 17 HG3 LYS 17 10.539 -4.105 -5.671 103 HD2 LYS 17 HD2 LYS 17 11.450 -5.983 -7.042 104 HD3 LYS 17 HD3 LYS 17 10.003 -6.911 -6.639 105 HE2 LYS 17 HE2 LYS 17 8.660 -5.002 -7.596 106 HE3 LYS 17 HE3 LYS 17 10.179 -4.340 -8.197 107 HZ1 LYS 17 HZ1 LYS 17 9.837 -5.600 -9.979 108 HZ2 LYS 17 HZ2 LYS 17 8.595 -6.478 -9.239 109 HZ3 LYS 17 HZ3 LYS 17 10.206 -6.942 -9.018 110 H HIS 18 H HIS 18 10.349 -8.650 -1.854 111 HA HIS 18 HA HIS 18 11.721 -10.060 -0.712 112 HB2 HIS 18 HB2 HIS 18 13.708 -9.709 -2.957 113 HB3 HIS 18 HB3 HIS 18 13.559 -11.075 -1.857 114 HD1 HIS 18 HD1 HIS 18 11.944 -12.910 -2.493 115 HD2 HIS 18 HD2 HIS 18 11.656 -9.576 -4.954 116 HE1 HIS 18 HE1 HIS 18 10.452 -13.605 -4.394 117 H LEU 19 H LEU 19 11.798 -7.321 -0.079 118 HA LEU 19 HA LEU 19 14.609 -6.996 0.748 119 HB2 LEU 19 HB2 LEU 19 12.565 -4.834 0.263 120 HB3 LEU 19 HB3 LEU 19 14.233 -4.588 0.776 121 HG LEU 19 HG LEU 19 13.885 -6.053 -1.759 122 HD11 LEU 19 HD11 LEU 19 13.509 -3.089 -1.836 123 HD12 LEU 19 HD12 LEU 19 12.119 -4.158 -1.652 124 HD13 LEU 19 HD13 LEU 19 13.156 -4.298 -3.071 125 HD21 LEU 19 HD21 LEU 19 16.044 -5.266 -0.650 126 HD22 LEU 19 HD22 LEU 19 15.577 -3.644 -1.161 127 HD23 LEU 19 HD23 LEU 19 15.838 -4.906 -2.365 128 H SER 20 H SER 20 14.868 -5.730 2.787 129 HA SER 20 HA SER 20 12.670 -6.301 4.667 130 HB2 SER 20 HB2 SER 20 15.617 -6.797 4.914 131 HB3 SER 20 HB3 SER 20 14.664 -6.476 6.362 132 HG SER 20 HG SER 20 13.713 -8.361 6.168 133 H CYS 21 H CYS 21 11.845 -4.520 5.516 134 HA CYS 21 HA CYS 21 13.174 -1.988 5.291 135 HB2 CYS 21 HB2 CYS 21 10.589 -2.631 5.287 136 HB3 CYS 21 HB3 CYS 21 10.762 -2.314 7.010 137 H ARG 22 H ARG 22 14.839 -1.556 6.591 138 HA ARG 22 HA ARG 22 15.023 -2.638 9.252 139 HB2 ARG 22 HB2 ARG 22 16.760 -0.708 7.710 140 HB3 ARG 22 HB3 ARG 22 17.122 -1.246 9.345 141 HG2 ARG 22 HG2 ARG 22 17.283 -3.544 8.578 142 HG3 ARG 22 HG3 ARG 22 16.860 -3.039 6.941 143 HD2 ARG 22 HD2 ARG 22 19.186 -3.213 6.892 144 HD3 ARG 22 HD3 ARG 22 18.894 -1.487 7.105 145 HE ARG 22 HE ARG 22 19.954 -1.614 9.119 146 HH11 ARG 22 HH11 ARG 22 18.937 -4.812 8.194 147 HH12 ARG 22 HH12 ARG 22 19.728 -5.590 9.525 148 HH21 ARG 22 HH21 ARG 22 21.000 -2.626 10.875 149 HH22 ARG 22 HH22 ARG 22 20.900 -4.345 11.050 150 H SER 23 H SER 23 14.610 -1.648 11.150 151 HA SER 23 HA SER 23 13.043 0.752 11.117 152 HB2 SER 23 HB2 SER 23 12.874 -1.313 12.712 153 HB3 SER 23 HB3 SER 23 14.121 -0.476 13.635 154 HG SER 23 HG SER 23 12.537 0.631 14.440 155 H ASP 24 H ASP 24 16.308 0.219 11.030 156 HA ASP 24 HA ASP 24 17.169 2.322 12.790 157 HB2 ASP 24 HB2 ASP 24 18.503 0.489 10.841 158 HB3 ASP 24 HB3 ASP 24 19.358 1.938 11.365 159 H TRP 25 H TRP 25 17.315 1.923 9.246 160 HA TRP 25 HA TRP 25 17.493 4.836 8.983 161 HB2 TRP 25 HB2 TRP 25 18.342 2.527 7.324 162 HB3 TRP 25 HB3 TRP 25 17.811 3.964 6.456 163 HD1 TRP 25 HD1 TRP 25 20.210 3.307 9.453 164 HE1 TRP 25 HE1 TRP 25 22.309 4.756 9.106 165 HE3 TRP 25 HE3 TRP 25 18.895 5.606 5.080 166 HZ2 TRP 25 HZ2 TRP 25 23.279 6.626 7.226 167 HZ3 TRP 25 HZ3 TRP 25 20.464 7.211 4.074 168 HH2 TRP 25 HH2 TRP 25 22.610 7.710 5.126 169 H LYS 26 H LYS 26 15.233 2.357 8.827 170 HA LYS 26 HA LYS 26 13.049 2.273 8.197 171 HB2 LYS 26 HB2 LYS 26 13.263 5.230 7.630 172 HB3 LYS 26 HB3 LYS 26 11.810 4.314 8.009 173 HG2 LYS 26 HG2 LYS 26 12.692 3.892 10.267 174 HG3 LYS 26 HG3 LYS 26 14.104 4.878 9.878 175 HD2 LYS 26 HD2 LYS 26 11.326 5.971 9.589 176 HD3 LYS 26 HD3 LYS 26 12.146 5.972 11.152 177 HE2 LYS 26 HE2 LYS 26 13.756 7.471 10.453 178 HE3 LYS 26 HE3 LYS 26 13.551 7.056 8.752 179 HZ1 LYS 26 HZ1 LYS 26 12.398 9.171 10.147 180 HZ2 LYS 26 HZ2 LYS 26 11.142 8.116 9.737 181 HZ3 LYS 26 HZ3 LYS 26 12.151 8.738 8.530 182 H TYR 27 H TYR 27 14.715 1.393 6.309 183 HA TYR 27 HA TYR 27 13.305 2.070 3.867 184 HB2 TYR 27 HB2 TYR 27 15.150 2.740 2.587 185 HB3 TYR 27 HB3 TYR 27 15.371 3.595 4.110 186 HD1 TYR 27 HD2 TYR 27 16.646 1.839 5.897 187 HD2 TYR 27 HD1 TYR 27 17.154 2.071 1.679 188 HE1 TYR 27 HE2 TYR 27 18.894 0.867 6.120 189 HE2 TYR 27 HE1 TYR 27 19.403 1.099 1.891 190 HH TYR 27 HH TYR 27 20.467 -0.565 4.296 191 H CYS 28 H CYS 28 13.379 0.448 2.307 192 HA CYS 28 HA CYS 28 13.608 -2.174 3.197 193 HB2 CYS 28 HB2 CYS 28 13.488 -0.923 0.474 194 HB3 CYS 28 HB3 CYS 28 13.761 -2.656 0.629 195 H ALA 29 H ALA 29 15.101 -3.850 2.656 196 HA ALA 29 HA ALA 29 17.775 -2.965 1.837 197 HB1 ALA 29 HB1 ALA 29 17.401 -4.793 4.192 198 HB2 ALA 29 HB2 ALA 29 18.868 -3.968 3.664 199 HB3 ALA 29 HB3 ALA 29 17.539 -3.043 4.364 200 H TRP 30 H TRP 30 18.961 -4.467 0.714 201 HA TRP 30 HA TRP 30 17.501 -6.623 -0.471 202 HB2 TRP 30 HB2 TRP 30 20.135 -5.339 -0.851 203 HB3 TRP 30 HB3 TRP 30 20.056 -7.043 -1.290 204 HD1 TRP 30 HD1 TRP 30 19.952 -4.003 -3.024 205 HE1 TRP 30 HE1 TRP 30 18.422 -4.048 -5.093 206 HE3 TRP 30 HE3 TRP 30 17.197 -8.162 -1.907 207 HZ2 TRP 30 HZ2 TRP 30 16.325 -5.637 -6.117 208 HZ3 TRP 30 HZ3 TRP 30 15.449 -8.877 -3.483 209 HH2 TRP 30 HH2 TRP 30 15.023 -7.639 -5.544 210 H ASP 31 H ASP 31 18.481 -8.845 -0.628 211 HA ASP 31 HA ASP 31 18.909 -10.819 0.429 212 HB2 ASP 31 HB2 ASP 31 21.004 -9.378 2.034 213 HB3 ASP 31 HB3 ASP 31 21.041 -11.016 1.388 214 H GLY 32 H GLY 32 16.946 -9.029 1.661 215 HA2 GLY 32 HA2 GLY 32 15.677 -8.897 3.569 216 HA3 GLY 32 HA3 GLY 32 16.335 -10.480 3.955 217 H THR 33 H THR 33 17.326 -10.587 5.845 218 HA THR 33 HA THR 33 18.004 -8.226 7.313 219 HB THR 33 HB THR 33 18.653 -11.104 7.977 220 HG1 THR 33 HG1 THR 33 16.724 -10.758 9.368 221 HG21 THR 33 HG21 THR 33 18.786 -8.533 9.512 222 HG22 THR 33 HG22 THR 33 19.975 -9.831 9.406 223 HG23 THR 33 HG23 THR 33 18.502 -10.059 10.348 224 H PHE 34 H PHE 34 19.985 -7.377 7.784 225 HA PHE 34 HA PHE 34 22.254 -8.474 6.262 226 HB2 PHE 34 HB2 PHE 34 21.377 -5.698 6.891 227 HB3 PHE 34 HB3 PHE 34 23.108 -6.003 6.791 228 HD1 PHE 34 HD2 PHE 34 23.596 -7.692 4.644 229 HD2 PHE 34 HD1 PHE 34 20.516 -4.775 4.989 230 HE1 PHE 34 HE2 PHE 34 23.484 -7.526 2.192 231 HE2 PHE 34 HE1 PHE 34 20.398 -4.605 2.537 232 HZ PHE 34 HZ PHE 34 21.884 -5.980 1.135 233 H SER 35 H SER 35 24.072 -9.062 7.294 234 HA SER 35 HA SER 35 25.490 -9.608 8.986 235 HB2 SER 35 HB2 SER 35 25.635 -7.078 9.074 236 HB3 SER 35 HB3 SER 35 24.470 -7.137 10.396 237 HG SER 35 HG SER 35 26.362 -7.219 11.431 Start of MODEL 8 1 H1 GLU 1 H GLU 1 0.456 -1.023 -2.270 2 HA GLU 1 HA GLU 1 2.385 0.717 -1.678 3 HB2 GLU 1 HB2 GLU 1 0.985 -1.237 0.120 4 HB3 GLU 1 HB3 GLU 1 2.178 -0.126 0.778 5 HG2 GLU 1 HG2 GLU 1 -0.280 0.685 -0.758 6 HG3 GLU 1 HG3 GLU 1 -0.123 0.700 0.998 7 H CYS 2 H CYS 2 4.037 -0.627 -3.087 8 HA CYS 2 HA CYS 2 5.970 -1.738 -1.180 9 HB2 CYS 2 HB2 CYS 2 5.515 -2.950 -3.907 10 HB3 CYS 2 HB3 CYS 2 6.531 -3.571 -2.609 11 H ARG 3 H ARG 3 8.071 -1.183 -1.548 12 HA ARG 3 HA ARG 3 8.685 0.303 -4.007 13 HB2 ARG 3 HB2 ARG 3 9.649 1.176 -1.285 14 HB3 ARG 3 HB3 ARG 3 9.793 2.043 -2.808 15 HG2 ARG 3 HG2 ARG 3 7.057 1.627 -2.459 16 HG3 ARG 3 HG3 ARG 3 7.672 2.085 -0.870 17 HD2 ARG 3 HD2 ARG 3 8.758 4.049 -1.884 18 HD3 ARG 3 HD3 ARG 3 8.075 3.600 -3.447 19 HE ARG 3 HE ARG 3 6.114 3.914 -1.367 20 HH11 ARG 3 HH11 ARG 3 7.974 5.533 -3.825 21 HH12 ARG 3 HH12 ARG 3 6.854 6.844 -3.993 22 HH21 ARG 3 HH21 ARG 3 4.632 5.636 -1.579 23 HH22 ARG 3 HH22 ARG 3 4.955 6.903 -2.714 24 H TYR 4 H TYR 4 11.155 0.718 -4.101 25 HA TYR 4 HA TYR 4 12.429 -1.869 -3.753 26 HB2 TYR 4 HB2 TYR 4 14.349 -0.511 -4.948 27 HB3 TYR 4 HB3 TYR 4 12.952 -1.083 -5.854 28 HD1 TYR 4 HD2 TYR 4 14.494 1.881 -4.281 29 HD2 TYR 4 HD1 TYR 4 11.420 0.446 -6.850 30 HE1 TYR 4 HE2 TYR 4 14.025 4.187 -5.000 31 HE2 TYR 4 HE1 TYR 4 10.944 2.747 -7.576 32 HH TYR 4 HH TYR 4 12.232 4.944 -7.693 33 H LEU 5 H LEU 5 15.007 -1.438 -3.364 34 HA LEU 5 HA LEU 5 15.319 -1.102 -0.642 35 HB2 LEU 5 HB2 LEU 5 16.928 -2.134 -2.299 36 HB3 LEU 5 HB3 LEU 5 17.467 -0.495 -2.660 37 HG LEU 5 HG LEU 5 17.555 -1.553 0.144 38 HD11 LEU 5 HD11 LEU 5 18.726 -3.216 -1.136 39 HD12 LEU 5 HD12 LEU 5 19.902 -2.209 -0.293 40 HD13 LEU 5 HD13 LEU 5 19.614 -1.973 -2.017 41 HD21 LEU 5 HD21 LEU 5 18.965 0.606 -1.403 42 HD22 LEU 5 HD22 LEU 5 19.523 0.041 0.172 43 HD23 LEU 5 HD23 LEU 5 17.926 0.773 0.012 44 H PHE 6 H PHE 6 15.963 1.269 -3.215 45 HA PHE 6 HA PHE 6 16.596 3.350 -1.337 46 HB2 PHE 6 HB2 PHE 6 15.975 3.646 -4.280 47 HB3 PHE 6 HB3 PHE 6 16.867 4.770 -3.260 48 HD1 PHE 6 HD2 PHE 6 18.944 3.577 -2.016 49 HD2 PHE 6 HD1 PHE 6 17.216 2.374 -5.715 50 HE1 PHE 6 HE2 PHE 6 21.051 2.468 -2.636 51 HE2 PHE 6 HE1 PHE 6 19.320 1.263 -6.341 52 HZ PHE 6 HZ PHE 6 21.241 1.308 -4.800 53 H GLY 7 H GLY 7 13.743 1.951 -2.248 54 HA2 GLY 7 HA2 GLY 7 11.988 4.073 -2.697 55 HA3 GLY 7 HA3 GLY 7 11.543 2.538 -1.967 56 H GLY 8 H GLY 8 12.213 2.334 0.406 57 HA2 GLY 8 HA2 GLY 8 12.655 3.504 2.480 58 HA3 GLY 8 HA3 GLY 8 11.925 4.934 1.767 59 H CYS 9 H CYS 9 11.415 2.956 4.156 60 HA CYS 9 HA CYS 9 8.554 3.313 4.104 61 HB2 CYS 9 HB2 CYS 9 8.205 0.831 4.675 62 HB3 CYS 9 HB3 CYS 9 8.480 1.247 2.987 63 H SER 10 H SER 10 7.650 2.067 6.188 64 HA SER 10 HA SER 10 9.459 2.825 8.385 65 HB2 SER 10 HB2 SER 10 7.329 4.137 8.155 66 HB3 SER 10 HB3 SER 10 6.440 2.649 8.481 67 HG SER 10 HG SER 10 7.877 2.604 10.454 68 H SER 11 H SER 11 7.592 0.279 6.996 69 HA SER 11 HA SER 11 8.465 -1.507 9.162 70 HB2 SER 11 HB2 SER 11 5.777 -1.725 7.794 71 HB3 SER 11 HB3 SER 11 6.359 -2.670 9.164 72 HG SER 11 HG SER 11 5.458 -1.175 10.324 73 H THR 12 H THR 12 8.499 -3.806 8.508 74 HA THR 12 HA THR 12 9.847 -4.108 6.019 75 HB THR 12 HB THR 12 9.928 -6.513 6.572 76 HG1 THR 12 HG1 THR 12 9.040 -6.972 8.789 77 HG21 THR 12 HG21 THR 12 10.526 -4.866 9.025 78 HG22 THR 12 HG22 THR 12 11.519 -4.828 7.568 79 HG23 THR 12 HG23 THR 12 11.344 -6.329 8.477 80 H SER 13 H SER 13 6.565 -4.485 7.051 81 HA SER 13 HA SER 13 5.613 -6.281 5.132 82 HB2 SER 13 HB2 SER 13 4.344 -5.450 7.134 83 HB3 SER 13 HB3 SER 13 4.087 -3.932 6.275 84 HG SER 13 HG SER 13 2.335 -5.066 5.740 85 H ASP 14 H ASP 14 6.641 -3.017 4.833 86 HA ASP 14 HA ASP 14 5.175 -2.357 2.478 87 HB2 ASP 14 HB2 ASP 14 7.479 -1.163 3.961 88 HB3 ASP 14 HB3 ASP 14 7.167 -0.626 2.312 89 H CYS 15 H CYS 15 8.387 -3.680 3.109 90 HA CYS 15 HA CYS 15 9.287 -3.607 0.423 91 HB2 CYS 15 HB2 CYS 15 10.166 -5.379 2.714 92 HB3 CYS 15 HB3 CYS 15 11.033 -5.179 1.195 93 H CYS 16 H CYS 16 8.485 -4.718 -1.220 94 HA CYS 16 HA CYS 16 7.432 -7.424 -0.711 95 HB2 CYS 16 HB2 CYS 16 6.502 -5.552 -2.893 96 HB3 CYS 16 HB3 CYS 16 5.783 -7.090 -2.428 97 H LYS 17 H LYS 17 9.807 -5.633 -2.220 98 HA LYS 17 HA LYS 17 10.142 -7.479 -4.459 99 HB2 LYS 17 HB2 LYS 17 11.373 -4.846 -3.710 100 HB3 LYS 17 HB3 LYS 17 12.158 -5.887 -4.889 101 HG2 LYS 17 HG2 LYS 17 9.295 -5.019 -5.151 102 HG3 LYS 17 HG3 LYS 17 10.644 -4.085 -5.802 103 HD2 LYS 17 HD2 LYS 17 11.338 -6.233 -6.990 104 HD3 LYS 17 HD3 LYS 17 9.740 -6.850 -6.565 105 HE2 LYS 17 HE2 LYS 17 8.772 -4.822 -7.687 106 HE3 LYS 17 HE3 LYS 17 10.396 -4.451 -8.266 107 HZ1 LYS 17 HZ1 LYS 17 10.157 -5.903 -9.903 108 HZ2 LYS 17 HZ2 LYS 17 8.541 -6.116 -9.452 109 HZ3 LYS 17 HZ3 LYS 17 9.733 -7.145 -8.834 110 H HIS 18 H HIS 18 10.479 -8.562 -1.867 111 HA HIS 18 HA HIS 18 11.882 -9.940 -0.725 112 HB2 HIS 18 HB2 HIS 18 13.807 -9.605 -3.028 113 HB3 HIS 18 HB3 HIS 18 13.726 -10.944 -1.887 114 HD1 HIS 18 HD1 HIS 18 13.171 -10.585 -5.212 115 HD2 HIS 18 HD2 HIS 18 10.651 -11.833 -2.154 116 HE1 HIS 18 HE1 HIS 18 11.372 -11.937 -6.334 117 H LEU 19 H LEU 19 11.939 -7.242 -0.059 118 HA LEU 19 HA LEU 19 14.765 -6.872 0.691 119 HB2 LEU 19 HB2 LEU 19 12.708 -4.721 0.214 120 HB3 LEU 19 HB3 LEU 19 14.387 -4.468 0.687 121 HG LEU 19 HG LEU 19 13.990 -5.968 -1.818 122 HD11 LEU 19 HD11 LEU 19 13.202 -4.252 -3.137 123 HD12 LEU 19 HD12 LEU 19 13.602 -3.011 -1.950 124 HD13 LEU 19 HD13 LEU 19 12.217 -4.069 -1.686 125 HD21 LEU 19 HD21 LEU 19 16.170 -5.166 -0.785 126 HD22 LEU 19 HD22 LEU 19 15.679 -3.543 -1.272 127 HD23 LEU 19 HD23 LEU 19 15.915 -4.796 -2.491 128 H SER 20 H SER 20 15.052 -5.591 2.712 129 HA SER 20 HA SER 20 12.885 -6.154 4.630 130 HB2 SER 20 HB2 SER 20 15.842 -6.602 4.836 131 HB3 SER 20 HB3 SER 20 14.913 -6.263 6.296 132 HG SER 20 HG SER 20 13.483 -8.032 5.400 133 H CYS 21 H CYS 21 12.038 -4.371 5.452 134 HA CYS 21 HA CYS 21 13.299 -1.818 5.159 135 HB2 CYS 21 HB2 CYS 21 10.740 -2.500 5.239 136 HB3 CYS 21 HB3 CYS 21 10.951 -2.209 6.962 137 H ARG 22 H ARG 22 15.053 -1.428 6.372 138 HA ARG 22 HA ARG 22 15.399 -2.447 9.014 139 HB2 ARG 22 HB2 ARG 22 16.917 -0.252 7.592 140 HB3 ARG 22 HB3 ARG 22 17.435 -1.085 9.051 141 HG2 ARG 22 HG2 ARG 22 16.833 -2.797 6.729 142 HG3 ARG 22 HG3 ARG 22 18.249 -1.753 6.588 143 HD2 ARG 22 HD2 ARG 22 17.884 -3.318 9.092 144 HD3 ARG 22 HD3 ARG 22 18.407 -4.171 7.640 145 HE ARG 22 HE ARG 22 19.985 -1.864 8.018 146 HH11 ARG 22 HH11 ARG 22 19.453 -5.040 9.342 147 HH12 ARG 22 HH12 ARG 22 21.071 -5.204 9.939 148 HH21 ARG 22 HH21 ARG 22 22.118 -2.069 8.799 149 HH22 ARG 22 HH22 ARG 22 22.585 -3.514 9.631 150 H SER 23 H SER 23 14.940 -1.553 10.938 151 HA SER 23 HA SER 23 13.239 0.755 11.017 152 HB2 SER 23 HB2 SER 23 12.884 -1.155 12.532 153 HB3 SER 23 HB3 SER 23 14.448 -0.846 13.286 154 HG SER 23 HG SER 23 12.043 0.427 13.640 155 H ASP 24 H ASP 24 16.525 0.412 10.847 156 HA ASP 24 HA ASP 24 17.275 2.533 12.651 157 HB2 ASP 24 HB2 ASP 24 18.697 0.493 11.871 158 HB3 ASP 24 HB3 ASP 24 19.042 1.489 10.460 159 H TRP 25 H TRP 25 17.479 2.144 9.109 160 HA TRP 25 HA TRP 25 17.557 5.056 8.838 161 HB2 TRP 25 HB2 TRP 25 18.425 2.763 7.169 162 HB3 TRP 25 HB3 TRP 25 17.843 4.183 6.306 163 HD1 TRP 25 HD1 TRP 25 20.315 3.598 9.259 164 HE1 TRP 25 HE1 TRP 25 22.372 5.093 8.863 165 HE3 TRP 25 HE3 TRP 25 18.861 5.841 4.900 166 HZ2 TRP 25 HZ2 TRP 25 23.261 6.975 6.955 167 HZ3 TRP 25 HZ3 TRP 25 20.373 7.477 3.855 168 HH2 TRP 25 HH2 TRP 25 22.526 8.031 4.863 169 H LYS 26 H LYS 26 15.341 2.541 8.741 170 HA LYS 26 HA LYS 26 13.147 2.413 8.154 171 HB2 LYS 26 HB2 LYS 26 13.276 5.364 7.542 172 HB3 LYS 26 HB3 LYS 26 11.866 4.420 8.005 173 HG2 LYS 26 HG2 LYS 26 13.038 4.011 10.213 174 HG3 LYS 26 HG3 LYS 26 14.181 5.262 9.720 175 HD2 LYS 26 HD2 LYS 26 12.612 6.939 9.860 176 HD3 LYS 26 HD3 LYS 26 11.259 5.841 9.581 177 HE2 LYS 26 HE2 LYS 26 12.859 5.473 12.055 178 HE3 LYS 26 HE3 LYS 26 11.783 6.867 11.974 179 HZ1 LYS 26 HZ1 LYS 26 10.051 5.562 12.350 180 HZ2 LYS 26 HZ2 LYS 26 11.103 4.261 12.593 181 HZ3 LYS 26 HZ3 LYS 26 10.451 4.545 11.058 182 H TYR 27 H TYR 27 14.797 1.555 6.238 183 HA TYR 27 HA TYR 27 13.325 2.184 3.821 184 HB2 TYR 27 HB2 TYR 27 15.128 2.886 2.501 185 HB3 TYR 27 HB3 TYR 27 15.364 3.754 4.014 186 HD1 TYR 27 HD2 TYR 27 16.711 2.032 5.782 187 HD2 TYR 27 HD1 TYR 27 17.127 2.257 1.554 188 HE1 TYR 27 HE2 TYR 27 18.982 1.106 5.963 189 HE2 TYR 27 HE1 TYR 27 19.399 1.330 1.723 190 HH TYR 27 HH TYR 27 21.225 1.358 4.095 191 H CYS 28 H CYS 28 13.452 0.569 2.237 192 HA CYS 28 HA CYS 28 13.723 -2.048 3.140 193 HB2 CYS 28 HB2 CYS 28 13.589 -0.815 0.407 194 HB3 CYS 28 HB3 CYS 28 13.869 -2.544 0.581 195 H ALA 29 H ALA 29 15.230 -3.714 2.479 196 HA ALA 29 HA ALA 29 17.886 -2.782 1.683 197 HB1 ALA 29 HB1 ALA 29 18.116 -2.708 4.030 198 HB2 ALA 29 HB2 ALA 29 17.271 -4.243 4.237 199 HB3 ALA 29 HB3 ALA 29 18.881 -4.213 3.518 200 H TRP 30 H TRP 30 19.094 -4.279 0.574 201 HA TRP 30 HA TRP 30 17.656 -6.484 -0.560 202 HB2 TRP 30 HB2 TRP 30 20.243 -5.134 -1.023 203 HB3 TRP 30 HB3 TRP 30 20.201 -6.845 -1.437 204 HD1 TRP 30 HD1 TRP 30 19.969 -3.834 -3.208 205 HE1 TRP 30 HE1 TRP 30 18.392 -3.951 -5.238 206 HE3 TRP 30 HE3 TRP 30 17.361 -8.052 -1.967 207 HZ2 TRP 30 HZ2 TRP 30 16.316 -5.611 -6.188 208 HZ3 TRP 30 HZ3 TRP 30 15.595 -8.837 -3.490 209 HH2 TRP 30 HH2 TRP 30 15.085 -7.641 -5.556 210 H ASP 31 H ASP 31 18.693 -8.680 -0.711 211 HA ASP 31 HA ASP 31 19.229 -10.625 0.348 212 HB2 ASP 31 HB2 ASP 31 21.471 -9.354 0.200 213 HB3 ASP 31 HB3 ASP 31 21.262 -9.064 1.924 214 H GLY 32 H GLY 32 17.199 -8.896 1.576 215 HA2 GLY 32 HA2 GLY 32 15.932 -8.798 3.488 216 HA3 GLY 32 HA3 GLY 32 16.632 -10.365 3.867 217 H THR 33 H THR 33 16.450 -9.621 6.099 218 HA THR 33 HA THR 33 17.801 -7.408 7.139 219 HB THR 33 HB THR 33 17.819 -8.710 9.307 220 HG1 THR 33 HG1 THR 33 17.816 -10.814 8.821 221 HG21 THR 33 HG21 THR 33 15.651 -8.150 9.694 222 HG22 THR 33 HG22 THR 33 15.068 -8.968 8.244 223 HG23 THR 33 HG23 THR 33 15.819 -7.377 8.119 224 H PHE 34 H PHE 34 19.852 -7.046 7.834 225 HA PHE 34 HA PHE 34 21.854 -9.040 7.060 226 HB2 PHE 34 HB2 PHE 34 21.973 -6.068 7.527 227 HB3 PHE 34 HB3 PHE 34 23.437 -7.044 7.454 228 HD1 PHE 34 HD2 PHE 34 23.723 -8.524 5.349 229 HD2 PHE 34 HD1 PHE 34 21.069 -5.205 5.588 230 HE1 PHE 34 HE2 PHE 34 23.706 -8.364 2.894 231 HE2 PHE 34 HE1 PHE 34 21.047 -5.041 3.133 232 HZ PHE 34 HZ PHE 34 22.368 -6.621 1.783 233 H SER 35 H SER 35 23.541 -9.647 8.457 234 HA SER 35 HA SER 35 22.803 -9.520 11.283 235 HB2 SER 35 HB2 SER 35 23.295 -11.721 10.132 236 HB3 SER 35 HB3 SER 35 24.977 -11.203 10.024 237 HG SER 35 HG SER 35 24.815 -12.360 11.888 Start of MODEL 9 1 H1 GLU 1 H GLU 1 0.559 -1.408 -2.444 2 HA GLU 1 HA GLU 1 2.228 0.801 -2.737 3 HB2 GLU 1 HB2 GLU 1 0.302 0.315 -1.041 4 HB3 GLU 1 HB3 GLU 1 1.596 -0.305 -0.024 5 HG2 GLU 1 HG2 GLU 1 2.737 1.874 -0.205 6 HG3 GLU 1 HG3 GLU 1 1.369 2.482 -1.135 7 H CYS 2 H CYS 2 3.749 -1.453 -3.434 8 HA CYS 2 HA CYS 2 5.696 -1.734 -1.262 9 HB2 CYS 2 HB2 CYS 2 5.655 -3.203 -3.901 10 HB3 CYS 2 HB3 CYS 2 6.577 -3.618 -2.459 11 H ARG 3 H ARG 3 7.903 -1.304 -1.573 12 HA ARG 3 HA ARG 3 8.579 0.269 -3.963 13 HB2 ARG 3 HB2 ARG 3 9.540 1.001 -1.202 14 HB3 ARG 3 HB3 ARG 3 9.666 1.946 -2.679 15 HG2 ARG 3 HG2 ARG 3 6.930 1.481 -2.296 16 HG3 ARG 3 HG3 ARG 3 7.584 1.913 -0.715 17 HD2 ARG 3 HD2 ARG 3 8.578 3.926 -1.665 18 HD3 ARG 3 HD3 ARG 3 7.970 3.485 -3.260 19 HE ARG 3 HE ARG 3 5.933 3.715 -1.235 20 HH11 ARG 3 HH11 ARG 3 7.793 5.386 -3.658 21 HH12 ARG 3 HH12 ARG 3 6.631 6.655 -3.862 22 HH21 ARG 3 HH21 ARG 3 4.396 5.380 -1.495 23 HH22 ARG 3 HH22 ARG 3 4.700 6.651 -2.630 24 H TYR 4 H TYR 4 11.059 0.662 -3.990 25 HA TYR 4 HA TYR 4 12.303 -1.957 -3.662 26 HB2 TYR 4 HB2 TYR 4 14.200 -0.636 -4.945 27 HB3 TYR 4 HB3 TYR 4 12.788 -1.251 -5.797 28 HD1 TYR 4 HD2 TYR 4 14.272 1.793 -4.296 29 HD2 TYR 4 HD1 TYR 4 11.295 0.217 -6.896 30 HE1 TYR 4 HE2 TYR 4 13.770 4.066 -5.091 31 HE2 TYR 4 HE1 TYR 4 10.786 2.485 -7.698 32 HH TYR 4 HH TYR 4 11.607 4.637 -7.780 33 H LEU 5 H LEU 5 14.900 -1.511 -3.365 34 HA LEU 5 HA LEU 5 15.295 -1.117 -0.666 35 HB2 LEU 5 HB2 LEU 5 16.853 -2.099 -2.473 36 HB3 LEU 5 HB3 LEU 5 17.424 -0.443 -2.665 37 HG LEU 5 HG LEU 5 17.493 -1.909 -0.035 38 HD11 LEU 5 HD11 LEU 5 20.040 -1.932 -0.713 39 HD12 LEU 5 HD12 LEU 5 19.367 -1.972 -2.342 40 HD13 LEU 5 HD13 LEU 5 18.951 -3.237 -1.185 41 HD21 LEU 5 HD21 LEU 5 19.329 -0.174 0.329 42 HD22 LEU 5 HD22 LEU 5 17.661 0.398 0.342 43 HD23 LEU 5 HD23 LEU 5 18.668 0.647 -1.085 44 H PHE 6 H PHE 6 15.813 1.221 -3.295 45 HA PHE 6 HA PHE 6 16.487 3.340 -1.476 46 HB2 PHE 6 HB2 PHE 6 15.816 3.445 -4.425 47 HB3 PHE 6 HB3 PHE 6 16.515 4.759 -3.485 48 HD1 PHE 6 HD2 PHE 6 18.681 3.874 -2.067 49 HD2 PHE 6 HD1 PHE 6 17.284 2.353 -5.789 50 HE1 PHE 6 HE2 PHE 6 20.938 3.030 -2.566 51 HE2 PHE 6 HE1 PHE 6 19.538 1.506 -6.294 52 HZ PHE 6 HZ PHE 6 21.369 1.843 -4.681 53 H GLY 7 H GLY 7 13.613 1.901 -2.332 54 HA2 GLY 7 HA2 GLY 7 11.793 3.934 -2.748 55 HA3 GLY 7 HA3 GLY 7 11.428 2.449 -1.880 56 H GLY 8 H GLY 8 12.236 2.441 0.459 57 HA2 GLY 8 HA2 GLY 8 12.723 3.717 2.434 58 HA3 GLY 8 HA3 GLY 8 12.036 5.128 1.644 59 H CYS 9 H CYS 9 11.473 2.590 3.793 60 HA CYS 9 HA CYS 9 8.637 3.335 3.948 61 HB2 CYS 9 HB2 CYS 9 8.206 0.878 4.555 62 HB3 CYS 9 HB3 CYS 9 8.476 1.257 2.857 63 H SER 10 H SER 10 7.732 2.148 6.067 64 HA SER 10 HA SER 10 9.604 2.882 8.217 65 HB2 SER 10 HB2 SER 10 7.747 3.535 9.548 66 HB3 SER 10 HB3 SER 10 7.433 4.196 7.943 67 HG SER 10 HG SER 10 5.583 3.177 8.754 68 H SER 11 H SER 11 7.659 0.361 6.896 69 HA SER 11 HA SER 11 8.536 -1.417 9.067 70 HB2 SER 11 HB2 SER 11 6.102 -0.792 9.301 71 HB3 SER 11 HB3 SER 11 5.815 -1.601 7.760 72 HG SER 11 HG SER 11 6.807 -2.760 10.153 73 H THR 12 H THR 12 8.459 -3.735 8.434 74 HA THR 12 HA THR 12 9.774 -4.106 5.938 75 HB THR 12 HB THR 12 9.769 -6.505 6.501 76 HG1 THR 12 HG1 THR 12 8.860 -6.919 8.726 77 HG21 THR 12 HG21 THR 12 10.632 -4.450 8.481 78 HG22 THR 12 HG22 THR 12 11.604 -5.527 7.479 79 HG23 THR 12 HG23 THR 12 10.785 -6.153 8.909 80 H SER 13 H SER 13 6.487 -4.268 6.960 81 HA SER 13 HA SER 13 5.407 -6.068 5.128 82 HB2 SER 13 HB2 SER 13 4.317 -4.722 7.115 83 HB3 SER 13 HB3 SER 13 3.898 -3.580 5.838 84 HG SER 13 HG SER 13 3.157 -6.302 6.067 85 H ASP 14 H ASP 14 6.652 -2.885 4.667 86 HA ASP 14 HA ASP 14 5.294 -2.315 2.219 87 HB2 ASP 14 HB2 ASP 14 7.550 -1.104 3.749 88 HB3 ASP 14 HB3 ASP 14 7.387 -0.684 2.046 89 H CYS 15 H CYS 15 8.428 -3.704 3.066 90 HA CYS 15 HA CYS 15 9.469 -3.818 0.444 91 HB2 CYS 15 HB2 CYS 15 10.095 -5.472 2.897 92 HB3 CYS 15 HB3 CYS 15 11.025 -5.533 1.403 93 H CYS 16 H CYS 16 8.637 -4.912 -1.198 94 HA CYS 16 HA CYS 16 7.412 -7.539 -0.661 95 HB2 CYS 16 HB2 CYS 16 6.717 -5.569 -2.850 96 HB3 CYS 16 HB3 CYS 16 5.978 -7.152 -2.624 97 H LYS 17 H LYS 17 9.911 -5.882 -2.200 98 HA LYS 17 HA LYS 17 10.287 -7.910 -4.268 99 HB2 LYS 17 HB2 LYS 17 11.885 -5.412 -3.679 100 HB3 LYS 17 HB3 LYS 17 12.106 -6.468 -5.067 101 HG2 LYS 17 HG2 LYS 17 9.452 -5.194 -4.565 102 HG3 LYS 17 HG3 LYS 17 10.755 -4.274 -5.321 103 HD2 LYS 17 HD2 LYS 17 10.938 -6.348 -6.888 104 HD3 LYS 17 HD3 LYS 17 9.297 -6.683 -6.331 105 HE2 LYS 17 HE2 LYS 17 8.452 -4.723 -7.264 106 HE3 LYS 17 HE3 LYS 17 10.043 -3.971 -7.362 107 HZ1 LYS 17 HZ1 LYS 17 10.233 -6.215 -8.918 108 HZ2 LYS 17 HZ2 LYS 17 10.065 -4.625 -9.469 109 HZ3 LYS 17 HZ3 LYS 17 8.697 -5.601 -9.274 110 H HIS 18 H HIS 18 10.529 -8.789 -1.594 111 HA HIS 18 HA HIS 18 11.876 -10.093 -0.305 112 HB2 HIS 18 HB2 HIS 18 13.899 -9.948 -2.542 113 HB3 HIS 18 HB3 HIS 18 13.732 -11.208 -1.323 114 HD1 HIS 18 HD1 HIS 18 13.104 -10.723 -4.735 115 HD2 HIS 18 HD2 HIS 18 10.894 -12.383 -1.633 116 HE1 HIS 18 HE1 HIS 18 11.390 -12.193 -5.842 117 H LEU 19 H LEU 19 11.953 -7.311 0.087 118 HA LEU 19 HA LEU 19 14.768 -6.857 0.823 119 HB2 LEU 19 HB2 LEU 19 12.551 -4.885 0.301 120 HB3 LEU 19 HB3 LEU 19 14.146 -4.450 0.912 121 HG LEU 19 HG LEU 19 14.070 -5.958 -1.633 122 HD11 LEU 19 HD11 LEU 19 12.186 -4.196 -1.646 123 HD12 LEU 19 HD12 LEU 19 13.334 -4.223 -2.983 124 HD13 LEU 19 HD13 LEU 19 13.500 -3.021 -1.703 125 HD21 LEU 19 HD21 LEU 19 15.682 -3.795 -1.948 126 HD22 LEU 19 HD22 LEU 19 16.207 -5.353 -1.310 127 HD23 LEU 19 HD23 LEU 19 15.777 -4.046 -0.205 128 H SER 20 H SER 20 15.078 -5.548 2.822 129 HA SER 20 HA SER 20 13.035 -6.209 4.841 130 HB2 SER 20 HB2 SER 20 16.010 -6.528 4.897 131 HB3 SER 20 HB3 SER 20 15.160 -6.187 6.403 132 HG SER 20 HG SER 20 14.218 -8.223 4.718 133 H CYS 21 H CYS 21 12.084 -4.410 5.510 134 HA CYS 21 HA CYS 21 13.339 -1.837 5.279 135 HB2 CYS 21 HB2 CYS 21 10.780 -2.565 5.159 136 HB3 CYS 21 HB3 CYS 21 10.852 -2.205 6.881 137 H ARG 22 H ARG 22 14.930 -1.338 6.649 138 HA ARG 22 HA ARG 22 14.945 -2.314 9.369 139 HB2 ARG 22 HB2 ARG 22 16.832 -0.518 7.841 140 HB3 ARG 22 HB3 ARG 22 17.081 -0.994 9.515 141 HG2 ARG 22 HG2 ARG 22 16.966 -3.395 8.681 142 HG3 ARG 22 HG3 ARG 22 17.125 -2.715 7.060 143 HD2 ARG 22 HD2 ARG 22 19.301 -3.358 7.874 144 HD3 ARG 22 HD3 ARG 22 19.211 -1.600 7.771 145 HE ARG 22 HE ARG 22 19.451 -1.486 10.048 146 HH11 ARG 22 HH11 ARG 22 18.687 -4.756 9.133 147 HH12 ARG 22 HH12 ARG 22 18.979 -5.405 10.712 148 HH21 ARG 22 HH21 ARG 22 19.840 -2.328 12.132 149 HH22 ARG 22 HH22 ARG 22 19.634 -4.023 12.418 150 H SER 23 H SER 23 14.526 -1.180 11.196 151 HA SER 23 HA SER 23 12.988 1.226 10.946 152 HB2 SER 23 HB2 SER 23 12.318 0.832 13.097 153 HB3 SER 23 HB3 SER 23 12.921 -0.784 12.728 154 HG SER 23 HG SER 23 14.708 -0.405 13.898 155 H ASP 24 H ASP 24 16.249 0.657 10.992 156 HA ASP 24 HA ASP 24 17.105 2.847 12.632 157 HB2 ASP 24 HB2 ASP 24 18.487 1.021 10.680 158 HB3 ASP 24 HB3 ASP 24 19.321 2.409 11.375 159 H TRP 25 H TRP 25 17.264 2.289 9.110 160 HA TRP 25 HA TRP 25 17.432 5.192 8.723 161 HB2 TRP 25 HB2 TRP 25 18.313 2.821 7.154 162 HB3 TRP 25 HB3 TRP 25 17.839 4.258 6.252 163 HD1 TRP 25 HD1 TRP 25 20.134 3.579 9.325 164 HE1 TRP 25 HE1 TRP 25 22.270 4.984 9.030 165 HE3 TRP 25 HE3 TRP 25 18.991 5.876 4.903 166 HZ2 TRP 25 HZ2 TRP 25 23.330 6.824 7.170 167 HZ3 TRP 25 HZ3 TRP 25 20.619 7.445 3.934 168 HH2 TRP 25 HH2 TRP 25 22.743 7.908 5.046 169 H LYS 26 H LYS 26 15.230 2.639 8.571 170 HA LYS 26 HA LYS 26 13.065 2.489 7.890 171 HB2 LYS 26 HB2 LYS 26 13.183 5.434 7.256 172 HB3 LYS 26 HB3 LYS 26 11.772 4.477 7.687 173 HG2 LYS 26 HG2 LYS 26 12.690 4.173 9.945 174 HG3 LYS 26 HG3 LYS 26 14.066 5.185 9.505 175 HD2 LYS 26 HD2 LYS 26 12.534 7.052 9.058 176 HD3 LYS 26 HD3 LYS 26 11.169 6.036 9.528 177 HE2 LYS 26 HE2 LYS 26 12.011 5.858 11.775 178 HE3 LYS 26 HE3 LYS 26 13.492 6.705 11.330 179 HZ1 LYS 26 HZ1 LYS 26 12.502 8.677 11.531 180 HZ2 LYS 26 HZ2 LYS 26 11.285 7.862 12.377 181 HZ3 LYS 26 HZ3 LYS 26 11.099 8.180 10.726 182 H TYR 27 H TYR 27 14.772 1.608 6.058 183 HA TYR 27 HA TYR 27 13.421 2.236 3.571 184 HB2 TYR 27 HB2 TYR 27 15.292 2.908 2.330 185 HB3 TYR 27 HB3 TYR 27 15.460 3.790 3.844 186 HD1 TYR 27 HD2 TYR 27 16.716 2.102 5.696 187 HD2 TYR 27 HD1 TYR 27 17.321 2.230 1.487 188 HE1 TYR 27 HE2 TYR 27 18.969 1.164 5.998 189 HE2 TYR 27 HE1 TYR 27 19.575 1.291 1.776 190 HH TYR 27 HH TYR 27 20.869 0.058 3.338 191 H CYS 28 H CYS 28 13.386 0.542 2.153 192 HA CYS 28 HA CYS 28 13.726 -2.041 3.079 193 HB2 CYS 28 HB2 CYS 28 13.421 -0.830 0.367 194 HB3 CYS 28 HB3 CYS 28 13.869 -2.529 0.475 195 H ALA 29 H ALA 29 15.262 -3.666 2.694 196 HA ALA 29 HA ALA 29 17.887 -2.762 1.726 197 HB1 ALA 29 HB1 ALA 29 17.871 -2.708 4.190 198 HB2 ALA 29 HB2 ALA 29 17.465 -4.424 4.207 199 HB3 ALA 29 HB3 ALA 29 19.011 -3.890 3.546 200 H TRP 30 H TRP 30 19.060 -4.250 0.587 201 HA TRP 30 HA TRP 30 17.621 -6.490 -0.473 202 HB2 TRP 30 HB2 TRP 30 20.171 -5.109 -1.034 203 HB3 TRP 30 HB3 TRP 30 20.144 -6.827 -1.422 204 HD1 TRP 30 HD1 TRP 30 19.816 -3.849 -3.231 205 HE1 TRP 30 HE1 TRP 30 18.178 -4.019 -5.209 206 HE3 TRP 30 HE3 TRP 30 17.302 -8.080 -1.843 207 HZ2 TRP 30 HZ2 TRP 30 16.095 -5.721 -6.068 208 HZ3 TRP 30 HZ3 TRP 30 15.501 -8.912 -3.298 209 HH2 TRP 30 HH2 TRP 30 14.911 -7.755 -5.366 210 H ASP 31 H ASP 31 18.686 -8.673 -0.628 211 HA ASP 31 HA ASP 31 19.290 -10.596 0.433 212 HB2 ASP 31 HB2 ASP 31 21.332 -8.902 1.874 213 HB3 ASP 31 HB3 ASP 31 21.437 -10.615 1.477 214 H GLY 32 H GLY 32 17.249 -8.908 1.686 215 HA2 GLY 32 HA2 GLY 32 16.046 -8.774 3.639 216 HA3 GLY 32 HA3 GLY 32 16.727 -10.356 3.983 217 H THR 33 H THR 33 17.340 -10.294 6.050 218 HA THR 33 HA THR 33 18.436 -7.905 7.237 219 HB THR 33 HB THR 33 18.479 -9.105 9.307 220 HG1 THR 33 HG1 THR 33 18.049 -11.439 7.725 221 HG21 THR 33 HG21 THR 33 16.222 -8.516 8.132 222 HG22 THR 33 HG22 THR 33 16.216 -9.501 9.595 223 HG23 THR 33 HG23 THR 33 16.043 -10.266 8.016 224 H PHE 34 H PHE 34 20.526 -7.526 7.842 225 HA PHE 34 HA PHE 34 22.547 -9.159 6.541 226 HB2 PHE 34 HB2 PHE 34 22.668 -6.496 7.961 227 HB3 PHE 34 HB3 PHE 34 24.091 -7.314 7.326 228 HD1 PHE 34 HD2 PHE 34 24.053 -7.921 4.819 229 HD2 PHE 34 HD1 PHE 34 21.452 -5.068 6.610 230 HE1 PHE 34 HE2 PHE 34 23.653 -6.907 2.614 231 HE2 PHE 34 HE1 PHE 34 21.047 -4.050 4.408 232 HZ PHE 34 HZ PHE 34 22.148 -4.968 2.406 233 H SER 35 H SER 35 23.234 -10.890 7.617 234 HA SER 35 HA SER 35 23.029 -11.295 10.380 235 HB2 SER 35 HB2 SER 35 24.470 -13.238 10.035 236 HB3 SER 35 HB3 SER 35 23.289 -13.123 8.731 237 HG SER 35 HG SER 35 25.204 -11.810 7.759 Start of MODEL 10 1 H1 GLU 1 H GLU 1 0.454 -0.073 0.131 2 HA GLU 1 HA GLU 1 1.596 -0.824 -2.096 3 HB2 GLU 1 HB2 GLU 1 2.816 1.298 -2.274 4 HB3 GLU 1 HB3 GLU 1 1.212 1.531 -1.594 5 HG2 GLU 1 HG2 GLU 1 2.213 1.603 0.659 6 HG3 GLU 1 HG3 GLU 1 3.810 1.472 -0.077 7 H CYS 2 H CYS 2 3.809 -0.858 -2.984 8 HA CYS 2 HA CYS 2 5.808 -1.803 -1.046 9 HB2 CYS 2 HB2 CYS 2 5.382 -3.078 -3.750 10 HB3 CYS 2 HB3 CYS 2 6.421 -3.644 -2.446 11 H ARG 3 H ARG 3 7.910 -1.242 -1.460 12 HA ARG 3 HA ARG 3 8.451 0.265 -3.925 13 HB2 ARG 3 HB2 ARG 3 9.442 1.123 -1.206 14 HB3 ARG 3 HB3 ARG 3 9.592 1.996 -2.725 15 HG2 ARG 3 HG2 ARG 3 6.843 1.544 -2.320 16 HG3 ARG 3 HG3 ARG 3 7.507 2.105 -0.784 17 HD2 ARG 3 HD2 ARG 3 8.503 4.029 -1.915 18 HD3 ARG 3 HD3 ARG 3 7.853 3.464 -3.454 19 HE ARG 3 HE ARG 3 5.838 3.832 -1.449 20 HH11 ARG 3 HH11 ARG 3 7.755 5.426 -3.880 21 HH12 ARG 3 HH12 ARG 3 6.619 6.712 -4.118 22 HH21 ARG 3 HH21 ARG 3 4.335 5.520 -1.754 23 HH22 ARG 3 HH22 ARG 3 4.675 6.766 -2.908 24 H TYR 4 H TYR 4 10.912 0.708 -4.076 25 HA TYR 4 HA TYR 4 12.222 -1.866 -3.793 26 HB2 TYR 4 HB2 TYR 4 14.106 -0.466 -4.995 27 HB3 TYR 4 HB3 TYR 4 12.698 -1.030 -5.887 28 HD1 TYR 4 HD2 TYR 4 14.238 1.913 -4.272 29 HD2 TYR 4 HD1 TYR 4 11.141 0.506 -6.828 30 HE1 TYR 4 HE2 TYR 4 13.738 4.229 -4.932 31 HE2 TYR 4 HE1 TYR 4 10.633 2.818 -7.495 32 HH TYR 4 HH TYR 4 12.573 5.288 -7.192 33 H LEU 5 H LEU 5 14.801 -1.420 -3.440 34 HA LEU 5 HA LEU 5 15.156 -1.131 -0.717 35 HB2 LEU 5 HB2 LEU 5 16.748 -2.136 -2.386 36 HB3 LEU 5 HB3 LEU 5 17.251 -0.494 -2.783 37 HG LEU 5 HG LEU 5 17.427 -1.479 0.038 38 HD11 LEU 5 HD11 LEU 5 18.531 -3.197 -1.264 39 HD12 LEU 5 HD12 LEU 5 19.726 -2.216 -0.416 40 HD13 LEU 5 HD13 LEU 5 19.451 -1.974 -2.141 41 HD21 LEU 5 HD21 LEU 5 18.783 0.618 -1.631 42 HD22 LEU 5 HD22 LEU 5 19.433 0.086 -0.080 43 HD23 LEU 5 HD23 LEU 5 17.833 0.826 -0.160 44 H PHE 6 H PHE 6 15.743 1.288 -3.257 45 HA PHE 6 HA PHE 6 16.391 3.340 -1.352 46 HB2 PHE 6 HB2 PHE 6 15.737 3.662 -4.286 47 HB3 PHE 6 HB3 PHE 6 16.604 4.801 -3.262 48 HD1 PHE 6 HD2 PHE 6 18.851 4.106 -2.331 49 HD2 PHE 6 HD1 PHE 6 16.869 1.980 -5.440 50 HE1 PHE 6 HE2 PHE 6 20.984 3.057 -2.969 51 HE2 PHE 6 HE1 PHE 6 18.998 0.927 -6.082 52 HZ PHE 6 HZ PHE 6 21.059 1.464 -4.846 53 H GLY 7 H GLY 7 13.538 1.933 -2.209 54 HA2 GLY 7 HA2 GLY 7 11.751 4.032 -2.625 55 HA3 GLY 7 HA3 GLY 7 11.340 2.498 -1.872 56 H GLY 8 H GLY 8 12.068 2.321 0.486 57 HA2 GLY 8 HA2 GLY 8 12.543 3.505 2.541 58 HA3 GLY 8 HA3 GLY 8 11.798 4.930 1.833 59 H CYS 9 H CYS 9 11.342 2.924 4.229 60 HA CYS 9 HA CYS 9 8.484 3.309 4.256 61 HB2 CYS 9 HB2 CYS 9 8.131 0.820 4.808 62 HB3 CYS 9 HB3 CYS 9 8.356 1.260 3.118 63 H SER 10 H SER 10 7.623 2.041 6.347 64 HA SER 10 HA SER 10 9.499 2.745 8.506 65 HB2 SER 10 HB2 SER 10 7.307 2.886 9.876 66 HB3 SER 10 HB3 SER 10 7.660 4.186 8.737 67 HG SER 10 HG SER 10 5.638 3.667 8.216 68 H SER 11 H SER 11 7.556 0.252 7.130 69 HA SER 11 HA SER 11 8.414 -1.567 9.277 70 HB2 SER 11 HB2 SER 11 5.733 -1.694 7.879 71 HB3 SER 11 HB3 SER 11 6.291 -2.739 9.185 72 HG SER 11 HG SER 11 5.004 -1.148 10.069 73 H THR 12 H THR 12 8.475 -3.850 8.608 74 HA THR 12 HA THR 12 9.829 -4.134 6.120 75 HB THR 12 HB THR 12 9.972 -6.518 6.664 76 HG1 THR 12 HG1 THR 12 7.880 -6.732 7.621 77 HG21 THR 12 HG21 THR 12 10.836 -6.123 9.149 78 HG22 THR 12 HG22 THR 12 10.648 -4.435 8.673 79 HG23 THR 12 HG23 THR 12 11.706 -5.500 7.748 80 H SER 13 H SER 13 6.549 -4.533 7.144 81 HA SER 13 HA SER 13 5.611 -6.331 5.220 82 HB2 SER 13 HB2 SER 13 4.372 -5.413 7.256 83 HB3 SER 13 HB3 SER 13 4.010 -3.997 6.271 84 HG SER 13 HG SER 13 2.668 -6.225 6.341 85 H ASP 14 H ASP 14 6.628 -3.065 4.926 86 HA ASP 14 HA ASP 14 5.160 -2.401 2.574 87 HB2 ASP 14 HB2 ASP 14 7.509 -1.215 4.010 88 HB3 ASP 14 HB3 ASP 14 7.095 -0.644 2.396 89 H CYS 15 H CYS 15 8.366 -3.738 3.200 90 HA CYS 15 HA CYS 15 9.256 -3.660 0.506 91 HB2 CYS 15 HB2 CYS 15 10.162 -5.408 2.804 92 HB3 CYS 15 HB3 CYS 15 11.017 -5.218 1.276 93 H CYS 16 H CYS 16 8.442 -4.781 -1.124 94 HA CYS 16 HA CYS 16 7.420 -7.495 -0.595 95 HB2 CYS 16 HB2 CYS 16 6.446 -5.617 -2.755 96 HB3 CYS 16 HB3 CYS 16 5.761 -7.179 -2.318 97 H LYS 17 H LYS 17 9.758 -5.684 -2.139 98 HA LYS 17 HA LYS 17 10.087 -7.537 -4.373 99 HB2 LYS 17 HB2 LYS 17 11.301 -4.887 -3.653 100 HB3 LYS 17 HB3 LYS 17 12.074 -5.925 -4.844 101 HG2 LYS 17 HG2 LYS 17 9.190 -5.135 -5.073 102 HG3 LYS 17 HG3 LYS 17 10.493 -4.120 -5.696 103 HD2 LYS 17 HD2 LYS 17 11.284 -6.238 -6.918 104 HD3 LYS 17 HD3 LYS 17 9.680 -6.880 -6.556 105 HE2 LYS 17 HE2 LYS 17 8.614 -5.216 -7.833 106 HE3 LYS 17 HE3 LYS 17 10.066 -4.219 -7.898 107 HZ1 LYS 17 HZ1 LYS 17 9.240 -6.307 -9.644 108 HZ2 LYS 17 HZ2 LYS 17 10.786 -6.614 -9.029 109 HZ3 LYS 17 HZ3 LYS 17 10.473 -5.167 -9.847 110 H HIS 18 H HIS 18 10.470 -8.605 -1.784 111 HA HIS 18 HA HIS 18 11.904 -9.964 -0.656 112 HB2 HIS 18 HB2 HIS 18 13.803 -9.598 -2.977 113 HB3 HIS 18 HB3 HIS 18 13.755 -10.937 -1.834 114 HD1 HIS 18 HD1 HIS 18 13.320 -10.841 -5.104 115 HD2 HIS 18 HD2 HIS 18 10.535 -11.626 -2.123 116 HE1 HIS 18 HE1 HIS 18 11.495 -12.161 -6.220 117 H LEU 19 H LEU 19 11.933 -7.218 -0.060 118 HA LEU 19 HA LEU 19 14.757 -6.811 0.678 119 HB2 LEU 19 HB2 LEU 19 12.638 -4.715 0.227 120 HB3 LEU 19 HB3 LEU 19 14.307 -4.411 0.704 121 HG LEU 19 HG LEU 19 13.952 -5.909 -1.811 122 HD11 LEU 19 HD11 LEU 19 13.182 -4.156 -3.127 123 HD12 LEU 19 HD12 LEU 19 13.461 -2.955 -1.866 124 HD13 LEU 19 HD13 LEU 19 12.126 -4.097 -1.715 125 HD21 LEU 19 HD21 LEU 19 16.110 -5.055 -0.758 126 HD22 LEU 19 HD22 LEU 19 15.586 -3.448 -1.261 127 HD23 LEU 19 HD23 LEU 19 15.857 -4.706 -2.468 128 H SER 20 H SER 20 15.047 -5.521 2.696 129 HA SER 20 HA SER 20 12.931 -6.144 4.652 130 HB2 SER 20 HB2 SER 20 15.899 -6.532 4.797 131 HB3 SER 20 HB3 SER 20 14.998 -6.206 6.278 132 HG SER 20 HG SER 20 14.039 -8.175 4.537 133 H CYS 21 H CYS 21 12.072 -4.398 5.537 134 HA CYS 21 HA CYS 21 13.288 -1.813 5.232 135 HB2 CYS 21 HB2 CYS 21 10.733 -2.550 5.305 136 HB3 CYS 21 HB3 CYS 21 10.939 -2.223 7.023 137 H ARG 22 H ARG 22 15.095 -1.560 6.445 138 HA ARG 22 HA ARG 22 15.301 -2.499 9.141 139 HB2 ARG 22 HB2 ARG 22 17.034 -0.697 7.452 140 HB3 ARG 22 HB3 ARG 22 17.424 -1.099 9.119 141 HG2 ARG 22 HG2 ARG 22 17.109 -3.565 8.215 142 HG3 ARG 22 HG3 ARG 22 17.517 -2.787 6.685 143 HD2 ARG 22 HD2 ARG 22 19.562 -3.532 7.597 144 HD3 ARG 22 HD3 ARG 22 19.514 -1.792 7.877 145 HE ARG 22 HE ARG 22 19.455 -2.187 10.135 146 HH11 ARG 22 HH11 ARG 22 18.781 -5.145 8.427 147 HH12 ARG 22 HH12 ARG 22 18.861 -6.135 9.847 148 HH21 ARG 22 HH21 ARG 22 19.563 -3.480 12.011 149 HH22 ARG 22 HH22 ARG 22 19.305 -5.187 11.884 150 H SER 23 H SER 23 15.032 -1.418 11.027 151 HA SER 23 HA SER 23 13.468 0.985 10.974 152 HB2 SER 23 HB2 SER 23 13.804 0.764 13.543 153 HB3 SER 23 HB3 SER 23 12.854 -0.463 12.706 154 HG SER 23 HG SER 23 14.937 -0.871 14.210 155 H ASP 24 H ASP 24 16.772 0.345 10.927 156 HA ASP 24 HA ASP 24 17.748 2.500 12.491 157 HB2 ASP 24 HB2 ASP 24 18.995 0.407 11.584 158 HB3 ASP 24 HB3 ASP 24 19.231 1.376 10.133 159 H TRP 25 H TRP 25 17.582 2.127 8.945 160 HA TRP 25 HA TRP 25 17.704 5.047 8.697 161 HB2 TRP 25 HB2 TRP 25 18.465 2.770 6.946 162 HB3 TRP 25 HB3 TRP 25 17.880 4.229 6.150 163 HD1 TRP 25 HD1 TRP 25 20.474 3.478 8.957 164 HE1 TRP 25 HE1 TRP 25 22.543 4.947 8.522 165 HE3 TRP 25 HE3 TRP 25 18.860 5.935 4.774 166 HZ2 TRP 25 HZ2 TRP 25 23.379 6.890 6.654 167 HZ3 TRP 25 HZ3 TRP 25 20.355 7.583 3.724 168 HH2 TRP 25 HH2 TRP 25 22.567 8.049 4.646 169 H LYS 26 H LYS 26 15.485 2.536 8.693 170 HA LYS 26 HA LYS 26 13.265 2.413 8.214 171 HB2 LYS 26 HB2 LYS 26 13.382 5.370 7.622 172 HB3 LYS 26 HB3 LYS 26 11.981 4.429 8.119 173 HG2 LYS 26 HG2 LYS 26 13.240 3.979 10.279 174 HG3 LYS 26 HG3 LYS 26 14.352 5.251 9.764 175 HD2 LYS 26 HD2 LYS 26 12.873 6.486 11.003 176 HD3 LYS 26 HD3 LYS 26 12.111 6.597 9.415 177 HE2 LYS 26 HE2 LYS 26 11.354 4.299 11.127 178 HE3 LYS 26 HE3 LYS 26 10.776 5.891 11.618 179 HZ1 LYS 26 HZ1 LYS 26 9.955 6.121 9.260 180 HZ2 LYS 26 HZ2 LYS 26 9.127 5.008 10.227 181 HZ3 LYS 26 HZ3 LYS 26 10.245 4.464 9.080 182 H TYR 27 H TYR 27 14.861 1.596 6.209 183 HA TYR 27 HA TYR 27 13.248 2.197 3.876 184 HB2 TYR 27 HB2 TYR 27 14.951 2.970 2.472 185 HB3 TYR 27 HB3 TYR 27 15.262 3.817 3.984 186 HD1 TYR 27 HD2 TYR 27 16.727 2.038 5.630 187 HD2 TYR 27 HD1 TYR 27 16.923 2.456 1.401 188 HE1 TYR 27 HE2 TYR 27 19.023 1.157 5.655 189 HE2 TYR 27 HE1 TYR 27 19.219 1.574 1.414 190 HH TYR 27 HH TYR 27 20.563 -0.015 4.019 191 H CYS 28 H CYS 28 13.318 0.588 2.291 192 HA CYS 28 HA CYS 28 13.689 -2.021 3.144 193 HB2 CYS 28 HB2 CYS 28 13.452 -0.766 0.430 194 HB3 CYS 28 HB3 CYS 28 13.779 -2.490 0.575 195 H ALA 29 H ALA 29 15.216 -3.647 2.479 196 HA ALA 29 HA ALA 29 17.828 -2.664 1.595 197 HB1 ALA 29 HB1 ALA 29 18.315 -2.597 3.839 198 HB2 ALA 29 HB2 ALA 29 17.237 -3.939 4.225 199 HB3 ALA 29 HB3 ALA 29 18.785 -4.250 3.441 200 H TRP 30 H TRP 30 19.045 -4.146 0.469 201 HA TRP 30 HA TRP 30 17.621 -6.372 -0.639 202 HB2 TRP 30 HB2 TRP 30 20.182 -4.988 -1.143 203 HB3 TRP 30 HB3 TRP 30 20.156 -6.701 -1.555 204 HD1 TRP 30 HD1 TRP 30 19.860 -3.696 -3.326 205 HE1 TRP 30 HE1 TRP 30 18.251 -3.834 -5.330 206 HE3 TRP 30 HE3 TRP 30 17.321 -7.942 -2.038 207 HZ2 TRP 30 HZ2 TRP 30 16.180 -5.520 -6.245 208 HZ3 TRP 30 HZ3 TRP 30 15.540 -8.750 -3.531 209 HH2 TRP 30 HH2 TRP 30 14.983 -7.563 -5.591 210 H ASP 31 H ASP 31 18.684 -8.554 -0.805 211 HA ASP 31 HA ASP 31 19.267 -10.491 0.242 212 HB2 ASP 31 HB2 ASP 31 21.296 -8.813 1.721 213 HB3 ASP 31 HB3 ASP 31 21.400 -10.526 1.323 214 H GLY 32 H GLY 32 17.201 -8.848 1.480 215 HA2 GLY 32 HA2 GLY 32 15.934 -8.807 3.393 216 HA3 GLY 32 HA3 GLY 32 16.739 -10.314 3.806 217 H THR 33 H THR 33 17.035 -9.971 5.959 218 HA THR 33 HA THR 33 18.137 -7.493 6.945 219 HB THR 33 HB THR 33 18.272 -8.958 9.125 220 HG1 THR 33 HG1 THR 33 17.805 -10.969 8.445 221 HG21 THR 33 HG21 THR 33 16.341 -7.283 7.981 222 HG22 THR 33 HG22 THR 33 16.488 -7.739 9.678 223 HG23 THR 33 HG23 THR 33 15.452 -8.674 8.600 224 H PHE 34 H PHE 34 20.020 -7.660 8.544 225 HA PHE 34 HA PHE 34 22.092 -9.467 7.494 226 HB2 PHE 34 HB2 PHE 34 22.180 -6.498 7.864 227 HB3 PHE 34 HB3 PHE 34 23.657 -7.434 8.072 228 HD1 PHE 34 HD2 PHE 34 24.675 -8.588 6.193 229 HD2 PHE 34 HD1 PHE 34 21.163 -6.234 5.703 230 HE1 PHE 34 HE2 PHE 34 25.021 -8.584 3.757 231 HE2 PHE 34 HE1 PHE 34 21.503 -6.228 3.266 232 HZ PHE 34 HZ PHE 34 23.434 -7.405 2.290 233 H SER 35 H SER 35 23.797 -9.987 8.966 234 HA SER 35 HA SER 35 22.974 -10.660 11.524 235 HB2 SER 35 HB2 SER 35 24.941 -11.624 10.290 236 HB3 SER 35 HB3 SER 35 25.843 -10.165 10.701 237 HG SER 35 HG SER 35 25.114 -12.308 12.287 Start of MODEL 11 1 H1 GLU 1 H GLU 1 0.159 -1.529 -0.989 2 HA GLU 1 HA GLU 1 2.012 -0.043 -2.371 3 HB2 GLU 1 HB2 GLU 1 1.505 -0.128 0.606 4 HB3 GLU 1 HB3 GLU 1 2.465 1.110 -0.191 5 HG2 GLU 1 HG2 GLU 1 0.595 1.953 -1.353 6 HG3 GLU 1 HG3 GLU 1 -0.388 0.550 -0.937 7 H CYS 2 H CYS 2 3.875 -0.901 -3.091 8 HA CYS 2 HA CYS 2 5.788 -1.837 -1.069 9 HB2 CYS 2 HB2 CYS 2 5.496 -3.133 -3.782 10 HB3 CYS 2 HB3 CYS 2 6.513 -3.662 -2.445 11 H ARG 3 H ARG 3 7.915 -1.282 -1.425 12 HA ARG 3 HA ARG 3 8.497 0.295 -3.838 13 HB2 ARG 3 HB2 ARG 3 9.486 1.049 -1.089 14 HB3 ARG 3 HB3 ARG 3 9.612 1.985 -2.573 15 HG2 ARG 3 HG2 ARG 3 6.869 1.480 -2.140 16 HG3 ARG 3 HG3 ARG 3 7.558 2.014 -0.605 17 HD2 ARG 3 HD2 ARG 3 8.536 3.963 -1.753 18 HD3 ARG 3 HD3 ARG 3 7.779 3.436 -3.256 19 HE ARG 3 HE ARG 3 5.941 3.799 -1.066 20 HH11 ARG 3 HH11 ARG 3 7.572 5.313 -3.744 21 HH12 ARG 3 HH12 ARG 3 6.400 6.578 -3.911 22 HH21 ARG 3 HH21 ARG 3 4.392 5.460 -1.276 23 HH22 ARG 3 HH22 ARG 3 4.592 6.661 -2.506 24 H TYR 4 H TYR 4 10.963 0.734 -3.941 25 HA TYR 4 HA TYR 4 12.263 -1.858 -3.683 26 HB2 TYR 4 HB2 TYR 4 14.128 -0.468 -4.931 27 HB3 TYR 4 HB3 TYR 4 12.713 -1.059 -5.795 28 HD1 TYR 4 HD2 TYR 4 14.237 1.927 -4.240 29 HD2 TYR 4 HD1 TYR 4 11.148 0.444 -6.762 30 HE1 TYR 4 HE2 TYR 4 13.709 4.227 -4.936 31 HE2 TYR 4 HE1 TYR 4 10.613 2.740 -7.466 32 HH TYR 4 HH TYR 4 12.496 5.213 -7.258 33 H LEU 5 H LEU 5 14.851 -1.394 -3.381 34 HA LEU 5 HA LEU 5 15.254 -1.081 -0.671 35 HB2 LEU 5 HB2 LEU 5 16.812 -2.010 -2.494 36 HB3 LEU 5 HB3 LEU 5 17.362 -0.346 -2.674 37 HG LEU 5 HG LEU 5 17.470 -1.816 -0.050 38 HD11 LEU 5 HD11 LEU 5 19.330 -1.882 -2.374 39 HD12 LEU 5 HD12 LEU 5 18.888 -3.161 -1.244 40 HD13 LEU 5 HD13 LEU 5 19.997 -1.887 -0.741 41 HD21 LEU 5 HD21 LEU 5 17.676 0.472 0.341 42 HD22 LEU 5 HD22 LEU 5 18.607 0.739 -1.133 43 HD23 LEU 5 HD23 LEU 5 19.346 -0.085 0.242 44 H PHE 6 H PHE 6 15.753 1.336 -3.232 45 HA PHE 6 HA PHE 6 16.423 3.405 -1.357 46 HB2 PHE 6 HB2 PHE 6 15.768 3.531 -4.308 47 HB3 PHE 6 HB3 PHE 6 16.358 4.887 -3.353 48 HD1 PHE 6 HD2 PHE 6 18.594 4.394 -2.034 49 HD2 PHE 6 HD1 PHE 6 17.288 2.293 -5.497 50 HE1 PHE 6 HE2 PHE 6 20.912 3.703 -2.485 51 HE2 PHE 6 HE1 PHE 6 19.603 1.599 -5.954 52 HZ PHE 6 HZ PHE 6 21.419 2.303 -4.446 53 H GLY 7 H GLY 7 13.551 1.974 -2.238 54 HA2 GLY 7 HA2 GLY 7 11.718 4.014 -2.573 55 HA3 GLY 7 HA3 GLY 7 11.365 2.496 -1.761 56 H GLY 8 H GLY 8 12.182 2.402 0.572 57 HA2 GLY 8 HA2 GLY 8 12.684 3.619 2.587 58 HA3 GLY 8 HA3 GLY 8 11.958 5.043 1.858 59 H CYS 9 H CYS 9 11.494 2.553 4.022 60 HA CYS 9 HA CYS 9 8.642 3.189 4.204 61 HB2 CYS 9 HB2 CYS 9 8.254 0.709 4.736 62 HB3 CYS 9 HB3 CYS 9 8.498 1.144 3.047 63 H SER 10 H SER 10 7.792 1.916 6.298 64 HA SER 10 HA SER 10 9.704 2.581 8.439 65 HB2 SER 10 HB2 SER 10 7.561 3.943 8.252 66 HB3 SER 10 HB3 SER 10 6.698 2.479 8.724 67 HG SER 10 HG SER 10 7.232 2.887 10.703 68 H SER 11 H SER 11 7.706 0.131 7.069 69 HA SER 11 HA SER 11 8.553 -1.715 9.197 70 HB2 SER 11 HB2 SER 11 5.910 -2.093 7.829 71 HB3 SER 11 HB3 SER 11 6.445 -2.684 9.402 72 HG SER 11 HG SER 11 5.551 -0.119 8.673 73 H THR 12 H THR 12 8.529 -4.003 8.510 74 HA THR 12 HA THR 12 9.862 -4.304 6.012 75 HB THR 12 HB THR 12 9.796 -6.752 6.536 76 HG1 THR 12 HG1 THR 12 8.323 -7.368 7.914 77 HG21 THR 12 HG21 THR 12 10.826 -4.745 8.514 78 HG22 THR 12 HG22 THR 12 11.718 -5.689 7.321 79 HG23 THR 12 HG23 THR 12 11.078 -6.472 8.765 80 H SER 13 H SER 13 6.574 -4.611 7.048 81 HA SER 13 HA SER 13 5.560 -6.361 5.126 82 HB2 SER 13 HB2 SER 13 4.338 -5.434 7.138 83 HB3 SER 13 HB3 SER 13 4.095 -3.951 6.215 84 HG SER 13 HG SER 13 3.158 -6.552 5.584 85 H ASP 14 H ASP 14 6.680 -3.119 4.831 86 HA ASP 14 HA ASP 14 5.257 -2.435 2.455 87 HB2 ASP 14 HB2 ASP 14 6.679 -0.994 4.241 88 HB3 ASP 14 HB3 ASP 14 7.882 -1.159 2.965 89 H CYS 15 H CYS 15 8.415 -3.853 3.133 90 HA CYS 15 HA CYS 15 9.356 -3.799 0.457 91 HB2 CYS 15 HB2 CYS 15 10.164 -5.544 2.792 92 HB3 CYS 15 HB3 CYS 15 11.039 -5.444 1.268 93 H CYS 16 H CYS 16 8.549 -4.900 -1.191 94 HA CYS 16 HA CYS 16 7.417 -7.573 -0.681 95 HB2 CYS 16 HB2 CYS 16 6.587 -5.620 -2.837 96 HB3 CYS 16 HB3 CYS 16 5.869 -7.198 -2.528 97 H LYS 17 H LYS 17 9.853 -5.841 -2.189 98 HA LYS 17 HA LYS 17 10.196 -7.747 -4.376 99 HB2 LYS 17 HB2 LYS 17 10.609 -5.074 -4.296 100 HB3 LYS 17 HB3 LYS 17 12.229 -5.646 -3.918 101 HG2 LYS 17 HG2 LYS 17 12.414 -5.587 -6.168 102 HG3 LYS 17 HG3 LYS 17 11.735 -7.209 -6.014 103 HD2 LYS 17 HD2 LYS 17 9.576 -6.471 -6.607 104 HD3 LYS 17 HD3 LYS 17 10.005 -4.775 -6.373 105 HE2 LYS 17 HE2 LYS 17 11.493 -6.372 -8.402 106 HE3 LYS 17 HE3 LYS 17 9.860 -5.826 -8.782 107 HZ1 LYS 17 HZ1 LYS 17 10.484 -3.610 -8.643 108 HZ2 LYS 17 HZ2 LYS 17 11.810 -4.326 -9.412 109 HZ3 LYS 17 HZ3 LYS 17 11.893 -3.942 -7.767 110 H HIS 18 H HIS 18 10.479 -8.782 -1.763 111 HA HIS 18 HA HIS 18 11.844 -10.166 -0.582 112 HB2 HIS 18 HB2 HIS 18 13.860 -9.857 -2.807 113 HB3 HIS 18 HB3 HIS 18 13.690 -11.204 -1.686 114 HD1 HIS 18 HD1 HIS 18 12.096 -13.052 -2.326 115 HD2 HIS 18 HD2 HIS 18 11.826 -9.747 -4.829 116 HE1 HIS 18 HE1 HIS 18 10.630 -13.774 -4.238 117 H LEU 19 H LEU 19 11.989 -7.247 -0.303 118 HA LEU 19 HA LEU 19 14.772 -6.903 0.574 119 HB2 LEU 19 HB2 LEU 19 12.605 -4.843 0.191 120 HB3 LEU 19 HB3 LEU 19 14.273 -4.512 0.657 121 HG LEU 19 HG LEU 19 13.898 -5.964 -1.889 122 HD11 LEU 19 HD11 LEU 19 13.330 -3.014 -1.755 123 HD12 LEU 19 HD12 LEU 19 12.063 -4.238 -1.829 124 HD13 LEU 19 HD13 LEU 19 13.218 -4.084 -3.152 125 HD21 LEU 19 HD21 LEU 19 16.072 -5.143 -0.841 126 HD22 LEU 19 HD22 LEU 19 15.546 -3.523 -1.299 127 HD23 LEU 19 HD23 LEU 19 15.799 -4.752 -2.539 128 H SER 20 H SER 20 15.071 -5.647 2.612 129 HA SER 20 HA SER 20 12.993 -6.333 4.587 130 HB2 SER 20 HB2 SER 20 15.984 -6.626 4.743 131 HB3 SER 20 HB3 SER 20 15.008 -6.488 6.205 132 HG SER 20 HG SER 20 13.740 -8.268 4.975 133 H CYS 21 H CYS 21 12.121 -4.592 5.469 134 HA CYS 21 HA CYS 21 13.371 -2.010 5.245 135 HB2 CYS 21 HB2 CYS 21 10.804 -2.726 5.223 136 HB3 CYS 21 HB3 CYS 21 10.961 -2.418 6.949 137 H ARG 22 H ARG 22 14.948 -1.430 6.580 138 HA ARG 22 HA ARG 22 15.126 -2.550 9.249 139 HB2 ARG 22 HB2 ARG 22 16.917 -0.680 7.696 140 HB3 ARG 22 HB3 ARG 22 17.247 -1.191 9.346 141 HG2 ARG 22 HG2 ARG 22 17.176 -3.565 8.495 142 HG3 ARG 22 HG3 ARG 22 17.166 -2.884 6.867 143 HD2 ARG 22 HD2 ARG 22 19.419 -3.286 7.252 144 HD3 ARG 22 HD3 ARG 22 19.248 -1.576 7.646 145 HE ARG 22 HE ARG 22 18.947 -3.341 9.901 146 HH11 ARG 22 HH11 ARG 22 21.183 -1.531 7.941 147 HH12 ARG 22 HH12 ARG 22 22.389 -1.427 9.181 148 HH21 ARG 22 HH21 ARG 22 20.526 -3.211 11.542 149 HH22 ARG 22 HH22 ARG 22 22.014 -2.384 11.229 150 H SER 23 H SER 23 14.750 -1.500 11.130 151 HA SER 23 HA SER 23 13.189 0.902 11.036 152 HB2 SER 23 HB2 SER 23 12.494 -0.583 12.709 153 HB3 SER 23 HB3 SER 23 14.144 -0.908 13.239 154 HG SER 23 HG SER 23 13.925 0.656 14.607 155 H ASP 24 H ASP 24 16.451 0.363 10.936 156 HA ASP 24 HA ASP 24 17.341 2.495 12.639 157 HB2 ASP 24 HB2 ASP 24 18.937 1.250 10.406 158 HB3 ASP 24 HB3 ASP 24 19.529 1.981 11.895 159 H TRP 25 H TRP 25 17.410 2.054 9.098 160 HA TRP 25 HA TRP 25 17.557 4.968 8.801 161 HB2 TRP 25 HB2 TRP 25 18.412 2.653 7.142 162 HB3 TRP 25 HB3 TRP 25 17.889 4.102 6.287 163 HD1 TRP 25 HD1 TRP 25 20.288 3.393 9.273 164 HE1 TRP 25 HE1 TRP 25 22.394 4.836 8.942 165 HE3 TRP 25 HE3 TRP 25 18.977 5.762 4.937 166 HZ2 TRP 25 HZ2 TRP 25 23.370 6.728 7.089 167 HZ3 TRP 25 HZ3 TRP 25 20.553 7.374 3.950 168 HH2 TRP 25 HH2 TRP 25 22.703 7.846 5.006 169 H LYS 26 H LYS 26 15.351 2.426 8.650 170 HA LYS 26 HA LYS 26 13.167 2.295 8.029 171 HB2 LYS 26 HB2 LYS 26 13.283 5.254 7.460 172 HB3 LYS 26 HB3 LYS 26 11.874 4.293 7.891 173 HG2 LYS 26 HG2 LYS 26 13.079 3.854 10.103 174 HG3 LYS 26 HG3 LYS 26 14.138 5.187 9.639 175 HD2 LYS 26 HD2 LYS 26 11.892 6.454 9.234 176 HD3 LYS 26 HD3 LYS 26 11.223 5.218 10.302 177 HE2 LYS 26 HE2 LYS 26 11.785 6.909 11.780 178 HE3 LYS 26 HE3 LYS 26 13.192 5.849 11.861 179 HZ1 LYS 26 HZ1 LYS 26 12.943 8.405 10.380 180 HZ2 LYS 26 HZ2 LYS 26 14.234 7.333 10.165 181 HZ3 LYS 26 HZ3 LYS 26 13.979 8.058 11.672 182 H TYR 27 H TYR 27 14.836 1.461 6.129 183 HA TYR 27 HA TYR 27 13.405 2.128 3.697 184 HB2 TYR 27 HB2 TYR 27 15.232 2.842 2.415 185 HB3 TYR 27 HB3 TYR 27 15.441 3.692 3.943 186 HD1 TYR 27 HD2 TYR 27 16.755 1.949 5.716 187 HD2 TYR 27 HD1 TYR 27 17.249 2.223 1.499 188 HE1 TYR 27 HE2 TYR 27 19.022 1.020 5.927 189 HE2 TYR 27 HE1 TYR 27 19.517 1.293 1.698 190 HH TYR 27 HH TYR 27 21.300 1.160 3.496 191 H CYS 28 H CYS 28 13.383 0.478 2.212 192 HA CYS 28 HA CYS 28 13.731 -2.127 3.071 193 HB2 CYS 28 HB2 CYS 28 13.450 -0.863 0.374 194 HB3 CYS 28 HB3 CYS 28 13.840 -2.577 0.476 195 H ALA 29 H ALA 29 15.250 -3.761 2.532 196 HA ALA 29 HA ALA 29 17.879 -2.811 1.630 197 HB1 ALA 29 HB1 ALA 29 18.111 -4.832 3.693 198 HB2 ALA 29 HB2 ALA 29 18.913 -3.267 3.548 199 HB3 ALA 29 HB3 ALA 29 17.312 -3.374 4.280 200 H TRP 30 H TRP 30 19.052 -4.250 0.427 201 HA TRP 30 HA TRP 30 17.610 -6.427 -0.746 202 HB2 TRP 30 HB2 TRP 30 20.183 -5.051 -1.208 203 HB3 TRP 30 HB3 TRP 30 20.140 -6.748 -1.678 204 HD1 TRP 30 HD1 TRP 30 19.868 -3.681 -3.344 205 HE1 TRP 30 HE1 TRP 30 18.256 -3.737 -5.349 206 HE3 TRP 30 HE3 TRP 30 17.295 -7.948 -2.198 207 HZ2 TRP 30 HZ2 TRP 30 16.169 -5.372 -6.317 208 HZ3 TRP 30 HZ3 TRP 30 15.505 -8.689 -3.716 209 HH2 TRP 30 HH2 TRP 30 14.955 -7.426 -5.732 210 H ASP 31 H ASP 31 18.652 -8.613 -0.989 211 HA ASP 31 HA ASP 31 19.214 -10.590 -0.008 212 HB2 ASP 31 HB2 ASP 31 21.270 -9.004 1.530 213 HB3 ASP 31 HB3 ASP 31 21.355 -10.692 1.033 214 H GLY 32 H GLY 32 17.125 -9.092 1.258 215 HA2 GLY 32 HA2 GLY 32 15.841 -9.171 3.159 216 HA3 GLY 32 HA3 GLY 32 16.789 -10.580 3.610 217 H THR 33 H THR 33 16.823 -10.022 5.792 218 HA THR 33 HA THR 33 17.845 -7.462 6.637 219 HB THR 33 HB THR 33 17.560 -9.823 8.468 220 HG1 THR 33 HG1 THR 33 15.568 -9.925 7.676 221 HG21 THR 33 HG21 THR 33 18.115 -8.188 9.898 222 HG22 THR 33 HG22 THR 33 16.480 -7.577 9.643 223 HG23 THR 33 HG23 THR 33 17.822 -6.928 8.700 224 H PHE 34 H PHE 34 19.784 -7.094 7.763 225 HA PHE 34 HA PHE 34 21.879 -9.085 7.203 226 HB2 PHE 34 HB2 PHE 34 21.996 -6.079 7.447 227 HB3 PHE 34 HB3 PHE 34 23.438 -7.089 7.440 228 HD1 PHE 34 HD2 PHE 34 23.285 -8.941 5.421 229 HD2 PHE 34 HD1 PHE 34 21.546 -5.056 5.457 230 HE1 PHE 34 HE2 PHE 34 23.290 -8.920 2.961 231 HE2 PHE 34 HE1 PHE 34 21.548 -5.029 2.997 232 HZ PHE 34 HZ PHE 34 22.419 -6.963 1.745 233 H SER 35 H SER 35 22.697 -10.129 8.881 234 HA SER 35 HA SER 35 22.798 -8.777 11.490 235 HB2 SER 35 HB2 SER 35 20.868 -10.329 11.460 236 HB3 SER 35 HB3 SER 35 21.959 -11.656 11.061 237 HG SER 35 HG SER 35 21.435 -11.415 13.342 Start of MODEL 12 1 H1 GLU 1 H GLU 1 1.808 0.001 0.855 2 HA GLU 1 HA GLU 1 1.549 -0.592 -1.965 3 HB2 GLU 1 HB2 GLU 1 2.490 2.080 -0.956 4 HB3 GLU 1 HB3 GLU 1 3.046 1.444 -2.497 5 HG2 GLU 1 HG2 GLU 1 1.234 2.867 -2.975 6 HG3 GLU 1 HG3 GLU 1 0.633 1.220 -3.157 7 H CYS 2 H CYS 2 3.757 -0.718 -3.011 8 HA CYS 2 HA CYS 2 5.767 -1.587 -1.038 9 HB2 CYS 2 HB2 CYS 2 5.368 -2.828 -3.762 10 HB3 CYS 2 HB3 CYS 2 6.386 -3.417 -2.451 11 H ARG 3 H ARG 3 7.926 -1.172 -1.502 12 HA ARG 3 HA ARG 3 8.502 0.408 -3.905 13 HB2 ARG 3 HB2 ARG 3 9.595 1.212 -1.219 14 HB3 ARG 3 HB3 ARG 3 9.580 2.136 -2.716 15 HG2 ARG 3 HG2 ARG 3 6.923 1.762 -2.296 16 HG3 ARG 3 HG3 ARG 3 7.532 1.871 -0.643 17 HD2 ARG 3 HD2 ARG 3 8.806 3.949 -1.495 18 HD3 ARG 3 HD3 ARG 3 7.675 3.896 -2.847 19 HE ARG 3 HE ARG 3 7.123 4.752 -0.175 20 HH11 ARG 3 HH11 ARG 3 5.732 3.313 -3.023 21 HH12 ARG 3 HH12 ARG 3 4.123 3.844 -2.665 22 HH21 ARG 3 HH21 ARG 3 5.009 5.457 0.308 23 HH22 ARG 3 HH22 ARG 3 3.712 5.065 -0.770 24 H TYR 4 H TYR 4 10.977 0.802 -4.023 25 HA TYR 4 HA TYR 4 12.232 -1.808 -3.714 26 HB2 TYR 4 HB2 TYR 4 14.111 -0.484 -5.012 27 HB3 TYR 4 HB3 TYR 4 12.679 -1.071 -5.849 28 HD1 TYR 4 HD2 TYR 4 14.329 1.914 -4.456 29 HD2 TYR 4 HD1 TYR 4 11.073 0.447 -6.769 30 HE1 TYR 4 HE2 TYR 4 13.839 4.204 -5.207 31 HE2 TYR 4 HE1 TYR 4 10.574 2.733 -7.527 32 HH TYR 4 HH TYR 4 10.954 4.985 -6.962 33 H LEU 5 H LEU 5 14.828 -1.385 -3.440 34 HA LEU 5 HA LEU 5 15.261 -1.014 -0.745 35 HB2 LEU 5 HB2 LEU 5 16.788 -1.982 -2.594 36 HB3 LEU 5 HB3 LEU 5 17.376 -0.328 -2.753 37 HG LEU 5 HG LEU 5 17.444 -1.841 -0.151 38 HD11 LEU 5 HD11 LEU 5 20.000 -1.857 -0.903 39 HD12 LEU 5 HD12 LEU 5 19.247 -1.969 -2.494 40 HD13 LEU 5 HD13 LEU 5 18.892 -3.182 -1.265 41 HD21 LEU 5 HD21 LEU 5 19.358 -0.139 0.160 42 HD22 LEU 5 HD22 LEU 5 17.693 0.422 0.308 43 HD23 LEU 5 HD23 LEU 5 18.598 0.726 -1.176 44 H PHE 6 H PHE 6 15.769 1.343 -3.360 45 HA PHE 6 HA PHE 6 16.477 3.442 -1.532 46 HB2 PHE 6 HB2 PHE 6 15.796 3.532 -4.478 47 HB3 PHE 6 HB3 PHE 6 16.439 4.882 -3.550 48 HD1 PHE 6 HD2 PHE 6 18.749 4.880 -2.788 49 HD2 PHE 6 HD1 PHE 6 17.190 1.692 -5.138 50 HE1 PHE 6 HE2 PHE 6 21.039 4.115 -3.263 51 HE2 PHE 6 HE1 PHE 6 19.477 0.921 -5.616 52 HZ PHE 6 HZ PHE 6 21.405 2.133 -4.679 53 H GLY 7 H GLY 7 13.572 2.055 -2.477 54 HA2 GLY 7 HA2 GLY 7 11.792 4.146 -2.779 55 HA3 GLY 7 HA3 GLY 7 11.390 2.612 -2.021 56 H GLY 8 H GLY 8 12.164 2.427 0.321 57 HA2 GLY 8 HA2 GLY 8 12.683 3.600 2.370 58 HA3 GLY 8 HA3 GLY 8 11.937 5.034 1.680 59 H CYS 9 H CYS 9 11.512 2.962 4.052 60 HA CYS 9 HA CYS 9 8.653 3.386 4.136 61 HB2 CYS 9 HB2 CYS 9 8.282 0.909 4.682 62 HB3 CYS 9 HB3 CYS 9 8.526 1.332 2.990 63 H SER 10 H SER 10 7.820 2.126 6.242 64 HA SER 10 HA SER 10 9.739 2.809 8.370 65 HB2 SER 10 HB2 SER 10 7.682 3.122 9.799 66 HB3 SER 10 HB3 SER 10 7.848 4.281 8.481 67 HG SER 10 HG SER 10 6.046 2.156 8.775 68 H SER 11 H SER 11 7.704 0.359 7.041 69 HA SER 11 HA SER 11 8.575 -1.478 9.168 70 HB2 SER 11 HB2 SER 11 6.166 -0.872 9.444 71 HB3 SER 11 HB3 SER 11 5.854 -1.544 7.843 72 HG SER 11 HG SER 11 6.805 -2.916 10.136 73 H THR 12 H THR 12 8.516 -3.774 8.495 74 HA THR 12 HA THR 12 9.828 -4.103 5.992 75 HB THR 12 HB THR 12 9.879 -6.490 6.519 76 HG1 THR 12 HG1 THR 12 8.309 -7.268 7.691 77 HG21 THR 12 HG21 THR 12 11.651 -5.730 7.681 78 HG22 THR 12 HG22 THR 12 10.647 -6.032 9.099 79 HG23 THR 12 HG23 THR 12 10.731 -4.412 8.406 80 H SER 13 H SER 13 6.542 -4.353 7.042 81 HA SER 13 HA SER 13 5.494 -6.097 5.131 82 HB2 SER 13 HB2 SER 13 4.403 -4.856 7.207 83 HB3 SER 13 HB3 SER 13 3.890 -3.718 5.962 84 HG SER 13 HG SER 13 2.435 -5.541 6.437 85 H ASP 14 H ASP 14 6.661 -2.875 4.820 86 HA ASP 14 HA ASP 14 5.235 -2.174 2.452 87 HB2 ASP 14 HB2 ASP 14 7.723 -1.076 3.758 88 HB3 ASP 14 HB3 ASP 14 7.076 -0.420 2.256 89 H CYS 15 H CYS 15 8.392 -3.612 3.110 90 HA CYS 15 HA CYS 15 9.309 -3.589 0.429 91 HB2 CYS 15 HB2 CYS 15 10.109 -5.345 2.759 92 HB3 CYS 15 HB3 CYS 15 10.978 -5.248 1.231 93 H CYS 16 H CYS 16 8.409 -4.651 -1.199 94 HA CYS 16 HA CYS 16 7.298 -7.332 -0.684 95 HB2 CYS 16 HB2 CYS 16 6.392 -5.381 -2.810 96 HB3 CYS 16 HB3 CYS 16 5.666 -6.940 -2.434 97 H LYS 17 H LYS 17 9.680 -5.581 -2.252 98 HA LYS 17 HA LYS 17 9.945 -7.455 -4.476 99 HB2 LYS 17 HB2 LYS 17 11.233 -4.834 -3.779 100 HB3 LYS 17 HB3 LYS 17 11.970 -5.898 -4.969 101 HG2 LYS 17 HG2 LYS 17 9.100 -5.082 -5.202 102 HG3 LYS 17 HG3 LYS 17 10.400 -4.038 -5.783 103 HD2 LYS 17 HD2 LYS 17 10.378 -6.906 -6.600 104 HD3 LYS 17 HD3 LYS 17 9.251 -5.790 -7.375 105 HE2 LYS 17 HE2 LYS 17 11.067 -4.381 -8.094 106 HE3 LYS 17 HE3 LYS 17 12.229 -5.353 -7.192 107 HZ1 LYS 17 HZ1 LYS 17 11.169 -5.773 -9.803 108 HZ2 LYS 17 HZ2 LYS 17 10.941 -7.134 -8.826 109 HZ3 LYS 17 HZ3 LYS 17 12.496 -6.507 -9.053 110 H HIS 18 H HIS 18 10.319 -8.521 -1.886 111 HA HIS 18 HA HIS 18 11.726 -9.912 -0.762 112 HB2 HIS 18 HB2 HIS 18 12.275 -10.449 -3.287 113 HB3 HIS 18 HB3 HIS 18 13.810 -9.681 -2.894 114 HD1 HIS 18 HD1 HIS 18 15.188 -11.819 -3.033 115 HD2 HIS 18 HD2 HIS 18 12.042 -12.057 -0.330 116 HE1 HIS 18 HE1 HIS 18 15.583 -13.931 -1.726 117 H LEU 19 H LEU 19 11.819 -7.216 -0.103 118 HA LEU 19 HA LEU 19 14.664 -6.856 0.577 119 HB2 LEU 19 HB2 LEU 19 12.584 -4.711 0.179 120 HB3 LEU 19 HB3 LEU 19 14.270 -4.450 0.620 121 HG LEU 19 HG LEU 19 13.829 -5.923 -1.895 122 HD11 LEU 19 HD11 LEU 19 12.049 -4.046 -1.716 123 HD12 LEU 19 HD12 LEU 19 13.024 -4.180 -3.179 124 HD13 LEU 19 HD13 LEU 19 13.419 -2.963 -1.965 125 HD21 LEU 19 HD21 LEU 19 15.750 -4.784 -2.578 126 HD22 LEU 19 HD22 LEU 19 16.021 -5.090 -0.862 127 HD23 LEU 19 HD23 LEU 19 15.513 -3.489 -1.404 128 H SER 20 H SER 20 14.998 -5.567 2.597 129 HA SER 20 HA SER 20 12.903 -6.176 4.579 130 HB2 SER 20 HB2 SER 20 15.869 -6.594 4.687 131 HB3 SER 20 HB3 SER 20 14.983 -6.277 6.179 132 HG SER 20 HG SER 20 14.955 -8.456 5.931 133 H CYS 21 H CYS 21 12.067 -4.414 5.454 134 HA CYS 21 HA CYS 21 13.342 -1.851 5.171 135 HB2 CYS 21 HB2 CYS 21 10.772 -2.526 5.194 136 HB3 CYS 21 HB3 CYS 21 10.954 -2.223 6.919 137 H ARG 22 H ARG 22 14.930 -1.236 6.474 138 HA ARG 22 HA ARG 22 15.178 -2.337 9.143 139 HB2 ARG 22 HB2 ARG 22 16.901 -0.539 7.452 140 HB3 ARG 22 HB3 ARG 22 17.253 -0.815 9.153 141 HG2 ARG 22 HG2 ARG 22 17.065 -3.343 8.418 142 HG3 ARG 22 HG3 ARG 22 17.473 -2.661 6.842 143 HD2 ARG 22 HD2 ARG 22 19.578 -3.030 7.625 144 HD3 ARG 22 HD3 ARG 22 19.317 -1.415 8.284 145 HE ARG 22 HE ARG 22 18.430 -3.308 10.152 146 HH11 ARG 22 HH11 ARG 22 21.383 -2.155 8.715 147 HH12 ARG 22 HH12 ARG 22 22.358 -2.540 10.094 148 HH21 ARG 22 HH21 ARG 22 19.703 -3.820 11.974 149 HH22 ARG 22 HH22 ARG 22 21.401 -3.488 11.947 150 H SER 23 H SER 23 14.786 -1.301 11.022 151 HA SER 23 HA SER 23 13.211 1.093 10.946 152 HB2 SER 23 HB2 SER 23 13.468 0.811 13.536 153 HB3 SER 23 HB3 SER 23 12.507 -0.355 12.627 154 HG SER 23 HG SER 23 14.800 -0.727 14.038 155 H ASP 24 H ASP 24 16.474 0.574 10.828 156 HA ASP 24 HA ASP 24 17.363 2.699 12.539 157 HB2 ASP 24 HB2 ASP 24 18.988 1.547 10.288 158 HB3 ASP 24 HB3 ASP 24 19.537 2.166 11.843 159 H TRP 25 H TRP 25 17.413 2.284 8.994 160 HA TRP 25 HA TRP 25 17.523 5.204 8.722 161 HB2 TRP 25 HB2 TRP 25 18.416 2.917 7.039 162 HB3 TRP 25 HB3 TRP 25 17.890 4.377 6.205 163 HD1 TRP 25 HD1 TRP 25 20.135 3.869 9.345 164 HE1 TRP 25 HE1 TRP 25 22.286 5.239 9.000 165 HE3 TRP 25 HE3 TRP 25 19.165 5.740 4.688 166 HZ2 TRP 25 HZ2 TRP 25 23.421 6.895 7.015 167 HZ3 TRP 25 HZ3 TRP 25 20.835 7.210 3.636 168 HH2 TRP 25 HH2 TRP 25 22.918 7.774 4.777 169 H LYS 26 H LYS 26 15.340 2.665 8.601 170 HA LYS 26 HA LYS 26 13.159 2.508 7.976 171 HB2 LYS 26 HB2 LYS 26 13.274 5.455 7.341 172 HB3 LYS 26 HB3 LYS 26 11.860 4.502 7.773 173 HG2 LYS 26 HG2 LYS 26 13.026 4.108 10.009 174 HG3 LYS 26 HG3 LYS 26 14.105 5.421 9.534 175 HD2 LYS 26 HD2 LYS 26 12.436 7.007 9.634 176 HD3 LYS 26 HD3 LYS 26 11.152 5.826 9.366 177 HE2 LYS 26 HE2 LYS 26 11.325 5.013 11.593 178 HE3 LYS 26 HE3 LYS 26 12.817 5.910 11.873 179 HZ1 LYS 26 HZ1 LYS 26 11.701 7.786 12.314 180 HZ2 LYS 26 HZ2 LYS 26 10.389 6.760 12.605 181 HZ3 LYS 26 HZ3 LYS 26 10.545 7.529 11.106 182 H TYR 27 H TYR 27 14.758 1.576 6.110 183 HA TYR 27 HA TYR 27 13.373 2.239 3.651 184 HB2 TYR 27 HB2 TYR 27 15.249 2.818 2.360 185 HB3 TYR 27 HB3 TYR 27 15.460 3.725 3.854 186 HD1 TYR 27 HD2 TYR 27 16.705 2.074 5.727 187 HD2 TYR 27 HD1 TYR 27 17.232 2.031 1.506 188 HE1 TYR 27 HE2 TYR 27 18.935 1.078 6.022 189 HE2 TYR 27 HE1 TYR 27 19.463 1.033 1.788 190 HH TYR 27 HH TYR 27 20.490 -0.447 4.448 191 H CYS 28 H CYS 28 13.604 0.633 2.014 192 HA CYS 28 HA CYS 28 13.750 -2.003 3.012 193 HB2 CYS 28 HB2 CYS 28 13.492 -0.791 0.286 194 HB3 CYS 28 HB3 CYS 28 13.812 -2.516 0.435 195 H ALA 29 H ALA 29 15.223 -3.686 2.480 196 HA ALA 29 HA ALA 29 17.866 -2.813 1.543 197 HB1 ALA 29 HB1 ALA 29 17.316 -4.387 4.053 198 HB2 ALA 29 HB2 ALA 29 18.913 -4.206 3.324 199 HB3 ALA 29 HB3 ALA 29 18.054 -2.789 3.929 200 H TRP 30 H TRP 30 18.991 -4.299 0.351 201 HA TRP 30 HA TRP 30 17.493 -6.445 -0.793 202 HB2 TRP 30 HB2 TRP 30 20.125 -5.178 -1.239 203 HB3 TRP 30 HB3 TRP 30 20.020 -6.879 -1.686 204 HD1 TRP 30 HD1 TRP 30 19.892 -3.827 -3.397 205 HE1 TRP 30 HE1 TRP 30 18.305 -3.847 -5.423 206 HE3 TRP 30 HE3 TRP 30 17.137 -7.972 -2.229 207 HZ2 TRP 30 HZ2 TRP 30 16.168 -5.413 -6.397 208 HZ3 TRP 30 HZ3 TRP 30 15.340 -8.664 -3.761 209 HH2 TRP 30 HH2 TRP 30 14.866 -7.409 -5.801 210 H ASP 31 H ASP 31 18.451 -8.673 -0.992 211 HA ASP 31 HA ASP 31 18.904 -10.657 0.034 212 HB2 ASP 31 HB2 ASP 31 21.042 -9.129 1.522 213 HB3 ASP 31 HB3 ASP 31 21.040 -10.837 1.091 214 H GLY 32 H GLY 32 16.929 -8.953 1.296 215 HA2 GLY 32 HA2 GLY 32 15.683 -8.856 3.221 216 HA3 GLY 32 HA3 GLY 32 16.415 -10.404 3.616 217 H THR 33 H THR 33 16.900 -10.201 5.723 218 HA THR 33 HA THR 33 18.017 -7.754 6.781 219 HB THR 33 HB THR 33 18.218 -9.236 8.903 220 HG1 THR 33 HG1 THR 33 17.336 -11.183 8.806 221 HG21 THR 33 HG21 THR 33 15.365 -9.110 8.271 222 HG22 THR 33 HG22 THR 33 16.236 -7.619 7.911 223 HG23 THR 33 HG23 THR 33 16.281 -8.296 9.538 224 H PHE 34 H PHE 34 19.996 -7.848 8.163 225 HA PHE 34 HA PHE 34 22.030 -9.592 6.936 226 HB2 PHE 34 HB2 PHE 34 22.246 -6.720 7.843 227 HB3 PHE 34 HB3 PHE 34 23.647 -7.719 7.470 228 HD1 PHE 34 HD2 PHE 34 23.424 -8.966 5.103 229 HD2 PHE 34 HD1 PHE 34 21.497 -5.330 6.190 230 HE1 PHE 34 HE2 PHE 34 23.218 -8.368 2.726 231 HE2 PHE 34 HE1 PHE 34 21.287 -4.727 3.814 232 HZ PHE 34 HZ PHE 34 22.150 -6.246 2.078 233 H SER 35 H SER 35 23.700 -10.373 8.267 234 HA SER 35 HA SER 35 23.211 -10.119 11.161 235 HB2 SER 35 HB2 SER 35 22.427 -12.315 10.277 236 HB3 SER 35 HB3 SER 35 24.071 -12.645 9.730 237 HG SER 35 HG SER 35 23.417 -13.494 11.867 Start of MODEL 13 1 H1 GLU 1 H GLU 1 2.291 0.720 0.438 2 HA GLU 1 HA GLU 1 1.656 -0.988 -1.810 3 HB2 GLU 1 HB2 GLU 1 2.848 0.552 -3.420 4 HB3 GLU 1 HB3 GLU 1 1.254 1.082 -2.901 5 HG2 GLU 1 HG2 GLU 1 2.098 2.793 -1.601 6 HG3 GLU 1 HG3 GLU 1 3.688 2.045 -1.467 7 H CYS 2 H CYS 2 3.697 -1.567 -3.035 8 HA CYS 2 HA CYS 2 5.837 -1.976 -1.081 9 HB2 CYS 2 HB2 CYS 2 5.525 -3.284 -3.787 10 HB3 CYS 2 HB3 CYS 2 6.575 -3.794 -2.469 11 H ARG 3 H ARG 3 7.999 -1.513 -1.529 12 HA ARG 3 HA ARG 3 8.546 0.080 -3.931 13 HB2 ARG 3 HB2 ARG 3 9.603 0.916 -1.241 14 HB3 ARG 3 HB3 ARG 3 9.561 1.840 -2.736 15 HG2 ARG 3 HG2 ARG 3 6.916 1.376 -2.316 16 HG3 ARG 3 HG3 ARG 3 7.523 1.512 -0.664 17 HD2 ARG 3 HD2 ARG 3 8.743 3.622 -1.583 18 HD3 ARG 3 HD3 ARG 3 7.535 3.534 -2.865 19 HE ARG 3 HE ARG 3 6.201 3.363 -0.423 20 HH11 ARG 3 HH11 ARG 3 8.103 5.659 -2.222 21 HH12 ARG 3 HH12 ARG 3 7.316 7.043 -1.538 22 HH21 ARG 3 HH21 ARG 3 5.158 5.178 0.484 23 HH22 ARG 3 HH22 ARG 3 5.642 6.768 0.001 24 H TYR 4 H TYR 4 11.011 0.546 -4.031 25 HA TYR 4 HA TYR 4 12.338 -2.027 -3.713 26 HB2 TYR 4 HB2 TYR 4 14.186 -0.650 -5.000 27 HB3 TYR 4 HB3 TYR 4 12.777 -1.279 -5.846 28 HD1 TYR 4 HD2 TYR 4 14.332 1.754 -4.446 29 HD2 TYR 4 HD1 TYR 4 11.133 0.191 -6.777 30 HE1 TYR 4 HE2 TYR 4 13.779 4.028 -5.202 31 HE2 TYR 4 HE1 TYR 4 10.573 2.461 -7.540 32 HH TYR 4 HH TYR 4 12.627 5.192 -6.848 33 H LEU 5 H LEU 5 14.919 -1.528 -3.424 34 HA LEU 5 HA LEU 5 15.326 -1.144 -0.727 35 HB2 LEU 5 HB2 LEU 5 16.893 -2.069 -2.561 36 HB3 LEU 5 HB3 LEU 5 17.427 -0.398 -2.728 37 HG LEU 5 HG LEU 5 17.539 -1.902 -0.121 38 HD11 LEU 5 HD11 LEU 5 19.019 -3.185 -1.288 39 HD12 LEU 5 HD12 LEU 5 20.084 -1.861 -0.816 40 HD13 LEU 5 HD13 LEU 5 19.397 -1.903 -2.440 41 HD21 LEU 5 HD21 LEU 5 17.676 0.388 0.309 42 HD22 LEU 5 HD22 LEU 5 18.630 0.700 -1.141 43 HD23 LEU 5 HD23 LEU 5 19.360 -0.131 0.233 44 H PHE 6 H PHE 6 15.780 1.228 -3.338 45 HA PHE 6 HA PHE 6 16.410 3.346 -1.504 46 HB2 PHE 6 HB2 PHE 6 15.711 3.482 -4.445 47 HB3 PHE 6 HB3 PHE 6 16.422 4.780 -3.491 48 HD1 PHE 6 HD2 PHE 6 18.728 4.490 -2.566 49 HD2 PHE 6 HD1 PHE 6 17.044 1.802 -5.404 50 HE1 PHE 6 HE2 PHE 6 20.979 3.662 -3.112 51 HE2 PHE 6 HE1 PHE 6 19.292 0.969 -5.954 52 HZ PHE 6 HZ PHE 6 21.264 1.898 -4.807 53 H GLY 7 H GLY 7 13.557 1.872 -2.470 54 HA2 GLY 7 HA2 GLY 7 11.720 3.913 -2.789 55 HA3 GLY 7 HA3 GLY 7 11.355 2.365 -2.041 56 H GLY 8 H GLY 8 12.108 2.193 0.309 57 HA2 GLY 8 HA2 GLY 8 12.572 3.373 2.367 58 HA3 GLY 8 HA3 GLY 8 11.791 4.787 1.675 59 H CYS 9 H CYS 9 11.396 2.768 4.065 60 HA CYS 9 HA CYS 9 8.528 3.081 4.107 61 HB2 CYS 9 HB2 CYS 9 8.232 0.591 4.659 62 HB3 CYS 9 HB3 CYS 9 8.464 1.023 2.968 63 H SER 10 H SER 10 7.710 1.799 6.206 64 HA SER 10 HA SER 10 9.579 2.558 8.354 65 HB2 SER 10 HB2 SER 10 7.617 3.938 8.442 66 HB3 SER 10 HB3 SER 10 6.555 2.539 8.284 67 HG SER 10 HG SER 10 6.992 3.507 10.482 68 H SER 11 H SER 11 7.671 0.015 7.007 69 HA SER 11 HA SER 11 8.619 -1.782 9.133 70 HB2 SER 11 HB2 SER 11 5.876 -1.849 7.850 71 HB3 SER 11 HB3 SER 11 6.494 -3.028 9.008 72 HG SER 11 HG SER 11 5.589 -0.439 9.414 73 H THR 12 H THR 12 8.631 -4.085 8.455 74 HA THR 12 HA THR 12 9.957 -4.358 5.951 75 HB THR 12 HB THR 12 9.900 -6.824 6.482 76 HG1 THR 12 HG1 THR 12 8.760 -7.507 8.148 77 HG21 THR 12 HG21 THR 12 11.859 -6.293 7.403 78 HG22 THR 12 HG22 THR 12 11.026 -6.053 8.939 79 HG23 THR 12 HG23 THR 12 11.264 -4.693 7.843 80 H SER 13 H SER 13 6.680 -4.712 6.992 81 HA SER 13 HA SER 13 5.687 -6.493 5.090 82 HB2 SER 13 HB2 SER 13 4.342 -5.772 6.985 83 HB3 SER 13 HB3 SER 13 4.325 -4.116 6.380 84 HG SER 13 HG SER 13 2.544 -4.761 5.454 85 H ASP 14 H ASP 14 6.754 -3.234 4.763 86 HA ASP 14 HA ASP 14 5.325 -2.601 2.378 87 HB2 ASP 14 HB2 ASP 14 7.590 -1.392 3.899 88 HB3 ASP 14 HB3 ASP 14 7.352 -0.892 2.227 89 H CYS 15 H CYS 15 8.523 -3.926 3.072 90 HA CYS 15 HA CYS 15 9.467 -3.890 0.402 91 HB2 CYS 15 HB2 CYS 15 10.288 -5.618 2.747 92 HB3 CYS 15 HB3 CYS 15 11.171 -5.501 1.228 93 H CYS 16 H CYS 16 8.635 -4.988 -1.237 94 HA CYS 16 HA CYS 16 7.573 -7.690 -0.725 95 HB2 CYS 16 HB2 CYS 16 6.674 -5.747 -2.863 96 HB3 CYS 16 HB3 CYS 16 5.995 -7.341 -2.551 97 H LYS 17 H LYS 17 9.946 -5.893 -2.263 98 HA LYS 17 HA LYS 17 10.308 -7.788 -4.456 99 HB2 LYS 17 HB2 LYS 17 11.491 -5.118 -3.770 100 HB3 LYS 17 HB3 LYS 17 12.311 -6.177 -4.910 101 HG2 LYS 17 HG2 LYS 17 10.989 -4.692 -6.183 102 HG3 LYS 17 HG3 LYS 17 10.172 -6.256 -6.222 103 HD2 LYS 17 HD2 LYS 17 9.289 -4.666 -3.975 104 HD3 LYS 17 HD3 LYS 17 9.070 -3.800 -5.498 105 HE2 LYS 17 HE2 LYS 17 8.147 -6.208 -6.224 106 HE3 LYS 17 HE3 LYS 17 7.772 -6.266 -4.502 107 HZ1 LYS 17 HZ1 LYS 17 5.905 -5.249 -5.217 108 HZ2 LYS 17 HZ2 LYS 17 6.634 -4.593 -6.595 109 HZ3 LYS 17 HZ3 LYS 17 6.857 -3.857 -5.089 110 H HIS 18 H HIS 18 10.656 -8.807 -1.841 111 HA HIS 18 HA HIS 18 12.076 -10.141 -0.666 112 HB2 HIS 18 HB2 HIS 18 14.023 -9.837 -2.951 113 HB3 HIS 18 HB3 HIS 18 13.909 -11.167 -1.803 114 HD1 HIS 18 HD1 HIS 18 13.624 -11.183 -5.054 115 HD2 HIS 18 HD2 HIS 18 10.631 -11.677 -2.214 116 HE1 HIS 18 HE1 HIS 18 11.787 -12.440 -6.224 117 H LEU 19 H LEU 19 12.099 -7.415 -0.080 118 HA LEU 19 HA LEU 19 14.924 -6.970 0.631 119 HB2 LEU 19 HB2 LEU 19 12.769 -4.907 0.197 120 HB3 LEU 19 HB3 LEU 19 14.435 -4.575 0.665 121 HG LEU 19 HG LEU 19 14.098 -6.080 -1.847 122 HD11 LEU 19 HD11 LEU 19 13.571 -3.141 -1.946 123 HD12 LEU 19 HD12 LEU 19 12.241 -4.274 -1.710 124 HD13 LEU 19 HD13 LEU 19 13.244 -4.381 -3.156 125 HD21 LEU 19 HD21 LEU 19 15.673 -3.577 -1.343 126 HD22 LEU 19 HD22 LEU 19 15.983 -4.867 -2.505 127 HD23 LEU 19 HD23 LEU 19 16.236 -5.152 -0.783 128 H SER 20 H SER 20 15.213 -5.667 2.645 129 HA SER 20 HA SER 20 13.132 -6.333 4.625 130 HB2 SER 20 HB2 SER 20 16.124 -6.583 4.782 131 HB3 SER 20 HB3 SER 20 15.164 -6.387 6.248 132 HG SER 20 HG SER 20 14.748 -8.429 6.107 133 H CYS 21 H CYS 21 12.215 -4.586 5.447 134 HA CYS 21 HA CYS 21 13.395 -1.983 5.158 135 HB2 CYS 21 HB2 CYS 21 10.855 -2.752 5.176 136 HB3 CYS 21 HB3 CYS 21 11.017 -2.439 6.902 137 H ARG 22 H ARG 22 15.030 -1.411 6.437 138 HA ARG 22 HA ARG 22 15.323 -2.455 9.104 139 HB2 ARG 22 HB2 ARG 22 16.905 -0.294 7.699 140 HB3 ARG 22 HB3 ARG 22 17.368 -1.122 9.180 141 HG2 ARG 22 HG2 ARG 22 16.829 -2.825 6.828 142 HG3 ARG 22 HG3 ARG 22 18.277 -1.817 6.772 143 HD2 ARG 22 HD2 ARG 22 17.746 -3.376 9.246 144 HD3 ARG 22 HD3 ARG 22 18.302 -4.249 7.819 145 HE ARG 22 HE ARG 22 19.988 -2.070 8.146 146 HH11 ARG 22 HH11 ARG 22 19.114 -4.952 9.893 147 HH12 ARG 22 HH12 ARG 22 20.656 -5.107 10.668 148 HH21 ARG 22 HH21 ARG 22 22.022 -2.264 9.160 149 HH22 ARG 22 HH22 ARG 22 22.309 -3.577 10.251 150 H SER 23 H SER 23 14.840 -1.491 10.995 151 HA SER 23 HA SER 23 13.123 0.805 10.959 152 HB2 SER 23 HB2 SER 23 12.865 -1.143 12.533 153 HB3 SER 23 HB3 SER 23 14.307 -0.578 13.375 154 HG SER 23 HG SER 23 11.773 0.632 13.180 155 H ASP 24 H ASP 24 16.410 0.489 10.851 156 HA ASP 24 HA ASP 24 17.131 2.651 12.610 157 HB2 ASP 24 HB2 ASP 24 18.601 0.912 10.662 158 HB3 ASP 24 HB3 ASP 24 19.357 2.393 11.245 159 H TRP 25 H TRP 25 17.327 2.221 9.071 160 HA TRP 25 HA TRP 25 17.331 5.136 8.774 161 HB2 TRP 25 HB2 TRP 25 18.249 2.856 7.080 162 HB3 TRP 25 HB3 TRP 25 17.753 4.343 6.277 163 HD1 TRP 25 HD1 TRP 25 19.946 3.732 9.434 164 HE1 TRP 25 HE1 TRP 25 22.119 5.081 9.150 165 HE3 TRP 25 HE3 TRP 25 19.067 5.723 4.808 166 HZ2 TRP 25 HZ2 TRP 25 23.304 6.767 7.221 167 HZ3 TRP 25 HZ3 TRP 25 20.770 7.194 3.815 168 HH2 TRP 25 HH2 TRP 25 22.844 7.705 4.998 169 H LYS 26 H LYS 26 15.220 2.531 8.645 170 HA LYS 26 HA LYS 26 13.046 2.312 8.009 171 HB2 LYS 26 HB2 LYS 26 13.069 5.261 7.374 172 HB3 LYS 26 HB3 LYS 26 11.690 4.263 7.819 173 HG2 LYS 26 HG2 LYS 26 12.606 3.993 10.066 174 HG3 LYS 26 HG3 LYS 26 13.992 4.991 9.620 175 HD2 LYS 26 HD2 LYS 26 12.610 6.911 9.327 176 HD3 LYS 26 HD3 LYS 26 11.138 5.946 9.461 177 HE2 LYS 26 HE2 LYS 26 11.967 5.348 11.806 178 HE3 LYS 26 HE3 LYS 26 13.106 6.680 11.609 179 HZ1 LYS 26 HZ1 LYS 26 10.803 7.839 10.899 180 HZ2 LYS 26 HZ2 LYS 26 11.438 7.881 12.466 181 HZ3 LYS 26 HZ3 LYS 26 10.250 6.745 12.066 182 H TYR 27 H TYR 27 14.684 1.435 6.148 183 HA TYR 27 HA TYR 27 13.290 2.062 3.685 184 HB2 TYR 27 HB2 TYR 27 15.148 2.713 2.405 185 HB3 TYR 27 HB3 TYR 27 15.332 3.613 3.907 186 HD1 TYR 27 HD2 TYR 27 16.616 1.962 5.766 187 HD2 TYR 27 HD1 TYR 27 17.163 2.014 1.546 188 HE1 TYR 27 HE2 TYR 27 18.874 1.030 6.053 189 HE2 TYR 27 HE1 TYR 27 19.422 1.081 1.822 190 HH TYR 27 HH TYR 27 21.197 1.178 4.018 191 H CYS 28 H CYS 28 13.606 0.476 2.032 192 HA CYS 28 HA CYS 28 13.828 -2.160 3.026 193 HB2 CYS 28 HB2 CYS 28 13.539 -0.947 0.304 194 HB3 CYS 28 HB3 CYS 28 13.917 -2.661 0.448 195 H ALA 29 H ALA 29 15.368 -3.779 2.542 196 HA ALA 29 HA ALA 29 17.980 -2.818 1.597 197 HB1 ALA 29 HB1 ALA 29 18.966 -4.360 3.410 198 HB2 ALA 29 HB2 ALA 29 18.355 -2.777 3.892 199 HB3 ALA 29 HB3 ALA 29 17.383 -4.221 4.176 200 H TRP 30 H TRP 30 19.162 -4.265 0.413 201 HA TRP 30 HA TRP 30 17.748 -6.460 -0.739 202 HB2 TRP 30 HB2 TRP 30 20.343 -5.112 -1.158 203 HB3 TRP 30 HB3 TRP 30 20.297 -6.816 -1.604 204 HD1 TRP 30 HD1 TRP 30 20.093 -3.773 -3.322 205 HE1 TRP 30 HE1 TRP 30 18.530 -3.845 -5.365 206 HE3 TRP 30 HE3 TRP 30 17.454 -7.999 -2.176 207 HZ2 TRP 30 HZ2 TRP 30 16.453 -5.477 -6.359 208 HZ3 TRP 30 HZ3 TRP 30 15.696 -8.748 -3.725 209 HH2 TRP 30 HH2 TRP 30 15.207 -7.511 -5.773 210 H ASP 31 H ASP 31 18.777 -8.657 -0.925 211 HA ASP 31 HA ASP 31 19.268 -10.626 0.114 212 HB2 ASP 31 HB2 ASP 31 21.365 -9.049 1.606 213 HB3 ASP 31 HB3 ASP 31 21.408 -10.752 1.158 214 H GLY 32 H GLY 32 17.269 -8.925 1.379 215 HA2 GLY 32 HA2 GLY 32 15.978 -8.945 3.277 216 HA3 GLY 32 HA3 GLY 32 16.863 -10.388 3.749 217 H THR 33 H THR 33 16.783 -9.676 5.932 218 HA THR 33 HA THR 33 17.868 -7.195 6.776 219 HB THR 33 HB THR 33 17.544 -9.735 8.385 220 HG1 THR 33 HG1 THR 33 15.515 -8.963 8.866 221 HG21 THR 33 HG21 THR 33 17.390 -8.117 10.295 222 HG22 THR 33 HG22 THR 33 17.921 -6.851 9.187 223 HG23 THR 33 HG23 THR 33 18.983 -8.213 9.545 224 H PHE 34 H PHE 34 19.861 -6.701 7.671 225 HA PHE 34 HA PHE 34 22.042 -8.430 6.806 226 HB2 PHE 34 HB2 PHE 34 21.853 -5.563 7.677 227 HB3 PHE 34 HB3 PHE 34 23.411 -6.381 7.650 228 HD1 PHE 34 HD1 PHE 34 20.436 -5.999 5.425 229 HD2 PHE 34 HD2 PHE 34 24.677 -6.087 5.769 230 HE1 PHE 34 HE1 PHE 34 20.637 -5.524 3.020 231 HE2 PHE 34 HE2 PHE 34 24.885 -5.612 3.363 232 HZ PHE 34 HZ PHE 34 22.864 -5.331 1.985 233 H SER 35 H SER 35 21.954 -10.084 8.340 234 HA SER 35 HA SER 35 22.076 -9.481 11.158 235 HB2 SER 35 HB2 SER 35 21.035 -11.571 9.935 236 HB3 SER 35 HB3 SER 35 22.677 -12.202 10.059 237 HG SER 35 HG SER 35 21.181 -11.197 12.250 Start of MODEL 14 1 H1 GLU 1 H GLU 1 1.349 -1.328 0.457 2 HA GLU 1 HA GLU 1 1.614 -0.634 -2.291 3 HB2 GLU 1 HB2 GLU 1 2.295 1.463 -0.227 4 HB3 GLU 1 HB3 GLU 1 2.888 1.497 -1.882 5 HG2 GLU 1 HG2 GLU 1 -0.040 1.392 -1.248 6 HG3 GLU 1 HG3 GLU 1 0.850 2.911 -1.334 7 H CYS 2 H CYS 2 3.798 -0.729 -3.030 8 HA CYS 2 HA CYS 2 5.742 -1.712 -1.057 9 HB2 CYS 2 HB2 CYS 2 5.394 -2.947 -3.790 10 HB3 CYS 2 HB3 CYS 2 6.407 -3.525 -2.471 11 H ARG 3 H ARG 3 7.902 -1.268 -1.502 12 HA ARG 3 HA ARG 3 8.467 0.349 -3.884 13 HB2 ARG 3 HB2 ARG 3 9.548 1.126 -1.186 14 HB3 ARG 3 HB3 ARG 3 9.520 2.072 -2.668 15 HG2 ARG 3 HG2 ARG 3 6.867 1.651 -2.246 16 HG3 ARG 3 HG3 ARG 3 7.482 1.754 -0.595 17 HD2 ARG 3 HD2 ARG 3 8.734 3.855 -1.477 18 HD3 ARG 3 HD3 ARG 3 7.538 3.804 -2.772 19 HE ARG 3 HE ARG 3 6.168 3.626 -0.356 20 HH11 ARG 3 HH11 ARG 3 8.160 5.910 -2.069 21 HH12 ARG 3 HH12 ARG 3 7.399 7.299 -1.367 22 HH21 ARG 3 HH21 ARG 3 5.158 5.447 0.575 23 HH22 ARG 3 HH22 ARG 3 5.692 7.034 0.137 24 H TYR 4 H TYR 4 10.939 0.772 -3.989 25 HA TYR 4 HA TYR 4 12.221 -1.829 -3.716 26 HB2 TYR 4 HB2 TYR 4 14.090 -0.464 -4.988 27 HB3 TYR 4 HB3 TYR 4 12.667 -1.055 -5.839 28 HD1 TYR 4 HD2 TYR 4 14.277 1.928 -4.393 29 HD2 TYR 4 HD1 TYR 4 11.046 0.460 -6.740 30 HE1 TYR 4 HE2 TYR 4 13.763 4.224 -5.111 31 HE2 TYR 4 HE1 TYR 4 10.524 2.751 -7.465 32 HH TYR 4 HH TYR 4 12.620 5.330 -7.062 33 H LEU 5 H LEU 5 14.812 -1.382 -3.429 34 HA LEU 5 HA LEU 5 15.234 -1.048 -0.727 35 HB2 LEU 5 HB2 LEU 5 16.776 -1.972 -2.583 36 HB3 LEU 5 HB3 LEU 5 17.344 -0.310 -2.720 37 HG LEU 5 HG LEU 5 17.428 -1.858 -0.140 38 HD11 LEU 5 HD11 LEU 5 19.983 -1.831 -0.877 39 HD12 LEU 5 HD12 LEU 5 19.246 -1.912 -2.477 40 HD13 LEU 5 HD13 LEU 5 18.895 -3.159 -1.281 41 HD21 LEU 5 HD21 LEU 5 19.296 -0.139 0.232 42 HD22 LEU 5 HD22 LEU 5 17.626 0.419 0.329 43 HD23 LEU 5 HD23 LEU 5 18.578 0.731 -1.124 44 H PHE 6 H PHE 6 15.723 1.355 -3.303 45 HA PHE 6 HA PHE 6 16.402 3.433 -1.441 46 HB2 PHE 6 HB2 PHE 6 15.889 3.372 -4.408 47 HB3 PHE 6 HB3 PHE 6 16.136 4.888 -3.547 48 HD1 PHE 6 HD2 PHE 6 18.297 5.192 -2.259 49 HD2 PHE 6 HD1 PHE 6 17.699 2.075 -5.094 50 HE1 PHE 6 HE2 PHE 6 20.733 4.906 -2.453 51 HE2 PHE 6 HE1 PHE 6 20.134 1.783 -5.292 52 HZ PHE 6 HZ PHE 6 21.654 3.199 -3.970 53 H GLY 7 H GLY 7 13.516 2.028 -2.416 54 HA2 GLY 7 HA2 GLY 7 11.716 4.108 -2.691 55 HA3 GLY 7 HA3 GLY 7 11.326 2.556 -1.965 56 H GLY 8 H GLY 8 12.089 2.333 0.377 57 HA2 GLY 8 HA2 GLY 8 12.587 3.473 2.451 58 HA3 GLY 8 HA3 GLY 8 11.827 4.911 1.785 59 H CYS 9 H CYS 9 11.410 2.875 4.152 60 HA CYS 9 HA CYS 9 8.549 3.231 4.213 61 HB2 CYS 9 HB2 CYS 9 8.211 0.741 4.733 62 HB3 CYS 9 HB3 CYS 9 8.448 1.189 3.047 63 H SER 10 H SER 10 7.721 1.937 6.301 64 HA SER 10 HA SER 10 9.617 2.631 8.446 65 HB2 SER 10 HB2 SER 10 7.754 3.184 9.842 66 HB3 SER 10 HB3 SER 10 7.469 3.963 8.285 67 HG SER 10 HG SER 10 5.809 2.438 9.510 68 H SER 11 H SER 11 7.633 0.153 7.085 69 HA SER 11 HA SER 11 8.548 -1.692 9.186 70 HB2 SER 11 HB2 SER 11 6.024 -0.988 9.224 71 HB3 SER 11 HB3 SER 11 5.886 -2.102 7.863 72 HG SER 11 HG SER 11 5.893 -2.705 10.414 73 H THR 12 H THR 12 8.511 -3.985 8.482 74 HA THR 12 HA THR 12 9.827 -4.259 5.973 75 HB THR 12 HB THR 12 9.846 -6.681 6.466 76 HG1 THR 12 HG1 THR 12 8.404 -5.974 8.821 77 HG21 THR 12 HG21 THR 12 10.593 -5.818 9.110 78 HG22 THR 12 HG22 THR 12 11.097 -4.628 7.910 79 HG23 THR 12 HG23 THR 12 11.621 -6.305 7.762 80 H SER 13 H SER 13 6.545 -4.560 7.019 81 HA SER 13 HA SER 13 5.517 -6.295 5.090 82 HB2 SER 13 HB2 SER 13 4.327 -5.337 7.132 83 HB3 SER 13 HB3 SER 13 4.035 -3.892 6.163 84 HG SER 13 HG SER 13 2.829 -6.350 6.057 85 H ASP 14 H ASP 14 6.641 -3.053 4.815 86 HA ASP 14 HA ASP 14 5.210 -2.349 2.452 87 HB2 ASP 14 HB2 ASP 14 7.564 -1.220 3.922 88 HB3 ASP 14 HB3 ASP 14 7.198 -0.643 2.299 89 H CYS 15 H CYS 15 8.385 -3.749 3.101 90 HA CYS 15 HA CYS 15 9.306 -3.685 0.422 91 HB2 CYS 15 HB2 CYS 15 10.128 -5.452 2.736 92 HB3 CYS 15 HB3 CYS 15 10.997 -5.329 1.210 93 H CYS 16 H CYS 16 8.439 -4.750 -1.221 94 HA CYS 16 HA CYS 16 7.350 -7.445 -0.733 95 HB2 CYS 16 HB2 CYS 16 6.449 -5.484 -2.853 96 HB3 CYS 16 HB3 CYS 16 5.739 -7.058 -2.507 97 H LYS 17 H LYS 17 9.734 -5.665 -2.264 98 HA LYS 17 HA LYS 17 10.040 -7.523 -4.497 99 HB2 LYS 17 HB2 LYS 17 10.485 -4.827 -4.294 100 HB3 LYS 17 HB3 LYS 17 12.109 -5.474 -4.105 101 HG2 LYS 17 HG2 LYS 17 12.042 -5.238 -6.365 102 HG3 LYS 17 HG3 LYS 17 11.427 -6.886 -6.221 103 HD2 LYS 17 HD2 LYS 17 9.104 -5.829 -6.161 104 HD3 LYS 17 HD3 LYS 17 9.890 -4.349 -6.713 105 HE2 LYS 17 HE2 LYS 17 9.079 -5.469 -8.645 106 HE3 LYS 17 HE3 LYS 17 10.829 -5.680 -8.623 107 HZ1 LYS 17 HZ1 LYS 17 10.510 -7.853 -8.713 108 HZ2 LYS 17 HZ2 LYS 17 8.832 -7.653 -8.664 109 HZ3 LYS 17 HZ3 LYS 17 9.706 -7.812 -7.225 110 H HIS 18 H HIS 18 10.391 -8.604 -1.908 111 HA HIS 18 HA HIS 18 11.794 -9.991 -0.776 112 HB2 HIS 18 HB2 HIS 18 12.352 -10.578 -3.254 113 HB3 HIS 18 HB3 HIS 18 13.851 -9.708 -2.944 114 HD1 HIS 18 HD1 HIS 18 15.569 -11.479 -2.705 115 HD2 HIS 18 HD2 HIS 18 12.100 -12.383 -0.604 116 HE1 HIS 18 HE1 HIS 18 16.080 -13.591 -1.440 117 H LEU 19 H LEU 19 11.878 -7.242 -0.184 118 HA LEU 19 HA LEU 19 14.711 -6.878 0.542 119 HB2 LEU 19 HB2 LEU 19 12.602 -4.754 0.180 120 HB3 LEU 19 HB3 LEU 19 14.291 -4.481 0.601 121 HG LEU 19 HG LEU 19 13.820 -5.932 -1.924 122 HD11 LEU 19 HD11 LEU 19 13.286 -2.975 -1.786 123 HD12 LEU 19 HD12 LEU 19 12.012 -4.191 -1.852 124 HD13 LEU 19 HD13 LEU 19 13.154 -4.038 -3.187 125 HD21 LEU 19 HD21 LEU 19 15.517 -3.511 -1.400 126 HD22 LEU 19 HD22 LEU 19 15.724 -4.758 -2.629 127 HD23 LEU 19 HD23 LEU 19 16.031 -5.132 -0.933 128 H SER 20 H SER 20 15.035 -5.618 2.577 129 HA SER 20 HA SER 20 12.949 -6.275 4.554 130 HB2 SER 20 HB2 SER 20 14.665 -6.786 6.173 131 HB3 SER 20 HB3 SER 20 14.995 -7.717 4.712 132 HG SER 20 HG SER 20 16.587 -6.229 4.165 133 H CYS 21 H CYS 21 12.078 -4.528 5.425 134 HA CYS 21 HA CYS 21 13.307 -1.944 5.171 135 HB2 CYS 21 HB2 CYS 21 10.751 -2.663 5.201 136 HB3 CYS 21 HB3 CYS 21 10.937 -2.383 6.929 137 H ARG 22 H ARG 22 14.945 -1.394 6.450 138 HA ARG 22 HA ARG 22 15.244 -2.500 9.096 139 HB2 ARG 22 HB2 ARG 22 16.867 -0.360 7.707 140 HB3 ARG 22 HB3 ARG 22 17.320 -1.215 9.175 141 HG2 ARG 22 HG2 ARG 22 16.725 -2.877 6.807 142 HG3 ARG 22 HG3 ARG 22 18.195 -1.903 6.750 143 HD2 ARG 22 HD2 ARG 22 17.644 -3.481 9.209 144 HD3 ARG 22 HD3 ARG 22 18.176 -4.346 7.767 145 HE ARG 22 HE ARG 22 19.900 -2.194 8.133 146 HH11 ARG 22 HH11 ARG 22 19.002 -5.128 9.779 147 HH12 ARG 22 HH12 ARG 22 20.551 -5.336 10.528 148 HH21 ARG 22 HH21 ARG 22 21.943 -2.458 9.113 149 HH22 ARG 22 HH22 ARG 22 22.222 -3.816 10.149 150 H SER 23 H SER 23 14.798 -1.554 11.004 151 HA SER 23 HA SER 23 13.136 0.783 11.014 152 HB2 SER 23 HB2 SER 23 13.463 0.397 13.609 153 HB3 SER 23 HB3 SER 23 12.455 -0.693 12.657 154 HG SER 23 HG SER 23 13.851 -2.246 12.957 155 H ASP 24 H ASP 24 16.413 0.392 10.873 156 HA ASP 24 HA ASP 24 17.200 2.510 12.658 157 HB2 ASP 24 HB2 ASP 24 18.717 0.636 12.172 158 HB3 ASP 24 HB3 ASP 24 18.761 1.110 10.476 159 H TRP 25 H TRP 25 17.356 2.129 9.112 160 HA TRP 25 HA TRP 25 17.423 5.048 8.859 161 HB2 TRP 25 HB2 TRP 25 18.280 2.776 7.123 162 HB3 TRP 25 HB3 TRP 25 17.815 4.288 6.348 163 HD1 TRP 25 HD1 TRP 25 20.005 3.579 9.487 164 HE1 TRP 25 HE1 TRP 25 22.209 4.879 9.213 165 HE3 TRP 25 HE3 TRP 25 19.160 5.648 4.889 166 HZ2 TRP 25 HZ2 TRP 25 23.429 6.559 7.300 167 HZ3 TRP 25 HZ3 TRP 25 20.896 7.090 3.908 168 HH2 TRP 25 HH2 TRP 25 22.985 7.535 5.090 169 H LYS 26 H LYS 26 15.255 2.491 8.706 170 HA LYS 26 HA LYS 26 13.074 2.329 8.081 171 HB2 LYS 26 HB2 LYS 26 13.179 5.291 7.509 172 HB3 LYS 26 HB3 LYS 26 11.762 4.323 7.896 173 HG2 LYS 26 HG2 LYS 26 12.717 3.921 10.149 174 HG3 LYS 26 HG3 LYS 26 14.034 5.024 9.744 175 HD2 LYS 26 HD2 LYS 26 11.210 5.937 9.420 176 HD3 LYS 26 HD3 LYS 26 11.921 5.885 11.035 177 HE2 LYS 26 HE2 LYS 26 13.227 7.273 8.705 178 HE3 LYS 26 HE3 LYS 26 12.111 8.084 9.803 179 HZ1 LYS 26 HZ1 LYS 26 14.649 6.761 10.598 180 HZ2 LYS 26 HZ2 LYS 26 13.585 7.564 11.638 181 HZ3 LYS 26 HZ3 LYS 26 14.417 8.430 10.447 182 H TYR 27 H TYR 27 14.681 1.443 6.197 183 HA TYR 27 HA TYR 27 13.287 2.135 3.752 184 HB2 TYR 27 HB2 TYR 27 15.152 2.763 2.470 185 HB3 TYR 27 HB3 TYR 27 15.364 3.637 3.983 186 HD1 TYR 27 HD2 TYR 27 16.620 1.930 5.811 187 HD2 TYR 27 HD1 TYR 27 17.148 2.036 1.590 188 HE1 TYR 27 HE2 TYR 27 18.858 0.943 6.072 189 HE2 TYR 27 HE1 TYR 27 19.386 1.049 1.840 190 HH TYR 27 HH TYR 27 20.431 -0.496 4.486 191 H CYS 28 H CYS 28 13.573 0.570 2.067 192 HA CYS 28 HA CYS 28 13.736 -2.086 3.025 193 HB2 CYS 28 HB2 CYS 28 13.462 -0.828 0.320 194 HB3 CYS 28 HB3 CYS 28 13.800 -2.552 0.440 195 H ALA 29 H ALA 29 15.237 -3.732 2.503 196 HA ALA 29 HA ALA 29 17.865 -2.815 1.559 197 HB1 ALA 29 HB1 ALA 29 17.233 -4.189 4.137 198 HB2 ALA 29 HB2 ALA 29 18.794 -4.445 3.356 199 HB3 ALA 29 HB3 ALA 29 18.300 -2.819 3.828 200 H TRP 30 H TRP 30 19.013 -4.275 0.356 201 HA TRP 30 HA TRP 30 17.538 -6.437 -0.800 202 HB2 TRP 30 HB2 TRP 30 20.133 -5.105 -1.271 203 HB3 TRP 30 HB3 TRP 30 20.061 -6.803 -1.734 204 HD1 TRP 30 HD1 TRP 30 19.838 -3.740 -3.413 205 HE1 TRP 30 HE1 TRP 30 18.222 -3.777 -5.416 206 HE3 TRP 30 HE3 TRP 30 17.195 -7.958 -2.245 207 HZ2 TRP 30 HZ2 TRP 30 16.106 -5.382 -6.374 208 HZ3 TRP 30 HZ3 TRP 30 15.392 -8.676 -3.756 209 HH2 TRP 30 HH2 TRP 30 14.860 -7.413 -5.777 210 H ASP 31 H ASP 31 18.545 -8.640 -1.034 211 HA ASP 31 HA ASP 31 19.088 -10.621 -0.051 212 HB2 ASP 31 HB2 ASP 31 21.141 -9.077 1.529 213 HB3 ASP 31 HB3 ASP 31 21.221 -10.750 0.982 214 H GLY 32 H GLY 32 17.060 -8.955 1.237 215 HA2 GLY 32 HA2 GLY 32 15.751 -9.027 3.121 216 HA3 GLY 32 HA3 GLY 32 16.622 -10.491 3.552 217 H THR 33 H THR 33 16.477 -9.816 5.759 218 HA THR 33 HA THR 33 17.630 -7.383 6.672 219 HB THR 33 HB THR 33 17.521 -8.419 8.928 220 HG1 THR 33 HG1 THR 33 17.669 -10.539 8.871 221 HG21 THR 33 HG21 THR 33 15.043 -8.737 7.231 222 HG22 THR 33 HG22 THR 33 15.567 -7.267 8.053 223 HG23 THR 33 HG23 THR 33 15.068 -8.673 8.992 224 H PHE 34 H PHE 34 19.545 -7.148 7.973 225 HA PHE 34 HA PHE 34 21.668 -9.026 7.178 226 HB2 PHE 34 HB2 PHE 34 21.746 -6.068 7.766 227 HB3 PHE 34 HB3 PHE 34 23.202 -7.052 7.665 228 HD1 PHE 34 HD2 PHE 34 22.962 -8.723 5.439 229 HD2 PHE 34 HD1 PHE 34 21.441 -4.775 5.908 230 HE1 PHE 34 HE2 PHE 34 22.995 -8.423 2.997 231 HE2 PHE 34 HE1 PHE 34 21.470 -4.470 3.467 232 HZ PHE 34 HZ PHE 34 22.249 -6.295 2.008 233 H SER 35 H SER 35 22.986 -9.915 8.693 234 HA SER 35 HA SER 35 22.061 -9.985 11.386 235 HB2 SER 35 HB2 SER 35 24.729 -11.005 10.407 236 HB3 SER 35 HB3 SER 35 23.781 -11.587 11.775 237 HG SER 35 HG SER 35 23.479 -12.081 9.055 Start of MODEL 15 1 H1 GLU 1 H GLU 1 1.006 -0.790 0.272 2 HA GLU 1 HA GLU 1 2.117 0.214 -2.197 3 HB2 GLU 1 HB2 GLU 1 1.965 1.201 0.624 4 HB3 GLU 1 HB3 GLU 1 3.126 1.927 -0.479 5 HG2 GLU 1 HG2 GLU 1 0.187 1.713 -1.071 6 HG3 GLU 1 HG3 GLU 1 0.930 3.109 -0.293 7 H CYS 2 H CYS 2 3.562 -1.520 -2.693 8 HA CYS 2 HA CYS 2 5.820 -1.942 -0.904 9 HB2 CYS 2 HB2 CYS 2 5.374 -3.185 -3.619 10 HB3 CYS 2 HB3 CYS 2 6.429 -3.761 -2.333 11 H ARG 3 H ARG 3 7.942 -1.439 -1.386 12 HA ARG 3 HA ARG 3 8.444 0.115 -3.823 13 HB2 ARG 3 HB2 ARG 3 9.536 0.997 -1.160 14 HB3 ARG 3 HB3 ARG 3 9.484 1.894 -2.672 15 HG2 ARG 3 HG2 ARG 3 6.840 1.442 -2.218 16 HG3 ARG 3 HG3 ARG 3 7.465 1.613 -0.576 17 HD2 ARG 3 HD2 ARG 3 8.682 3.699 -1.567 18 HD3 ARG 3 HD3 ARG 3 7.444 3.588 -2.817 19 HE ARG 3 HE ARG 3 6.275 3.490 -0.239 20 HH11 ARG 3 HH11 ARG 3 7.745 5.680 -2.511 21 HH12 ARG 3 HH12 ARG 3 6.886 7.068 -1.929 22 HH21 ARG 3 HH21 ARG 3 5.138 5.309 0.536 23 HH22 ARG 3 HH22 ARG 3 5.404 6.855 -0.195 24 H TYR 4 H TYR 4 10.905 0.583 -3.975 25 HA TYR 4 HA TYR 4 12.242 -1.982 -3.643 26 HB2 TYR 4 HB2 TYR 4 14.071 -0.615 -4.970 27 HB3 TYR 4 HB3 TYR 4 12.651 -1.256 -5.790 28 HD1 TYR 4 HD2 TYR 4 14.212 1.796 -4.435 29 HD2 TYR 4 HD1 TYR 4 10.996 0.202 -6.718 30 HE1 TYR 4 HE2 TYR 4 13.646 4.061 -5.207 31 HE2 TYR 4 HE1 TYR 4 10.421 2.463 -7.498 32 HH TYR 4 HH TYR 4 11.534 5.235 -6.074 33 H LEU 5 H LEU 5 14.826 -1.477 -3.395 34 HA LEU 5 HA LEU 5 15.267 -1.061 -0.707 35 HB2 LEU 5 HB2 LEU 5 16.819 -2.054 -2.466 36 HB3 LEU 5 HB3 LEU 5 17.306 -0.395 -2.812 37 HG LEU 5 HG LEU 5 17.515 -1.484 -0.029 38 HD11 LEU 5 HD11 LEU 5 19.520 -1.863 -2.248 39 HD12 LEU 5 HD12 LEU 5 18.638 -3.130 -1.397 40 HD13 LEU 5 HD13 LEU 5 19.828 -2.155 -0.536 41 HD21 LEU 5 HD21 LEU 5 19.631 0.117 -0.414 42 HD22 LEU 5 HD22 LEU 5 18.060 0.704 0.132 43 HD23 LEU 5 HD23 LEU 5 18.507 0.833 -1.570 44 H PHE 6 H PHE 6 15.689 1.275 -3.355 45 HA PHE 6 HA PHE 6 16.347 3.417 -1.557 46 HB2 PHE 6 HB2 PHE 6 15.717 3.370 -4.512 47 HB3 PHE 6 HB3 PHE 6 16.174 4.826 -3.635 48 HD1 PHE 6 HD1 PHE 6 17.344 1.445 -4.587 49 HD2 PHE 6 HD2 PHE 6 18.422 5.335 -3.240 50 HE1 PHE 6 HE1 PHE 6 19.718 0.908 -4.949 51 HE2 PHE 6 HE2 PHE 6 20.798 4.805 -3.600 52 HZ PHE 6 HZ PHE 6 21.448 2.590 -4.456 53 H GLY 7 H GLY 7 13.484 1.927 -2.432 54 HA2 GLY 7 HA2 GLY 7 11.645 3.972 -2.767 55 HA3 GLY 7 HA3 GLY 7 11.286 2.433 -1.999 56 H GLY 8 H GLY 8 12.068 2.284 0.343 57 HA2 GLY 8 HA2 GLY 8 12.570 3.500 2.378 58 HA3 GLY 8 HA3 GLY 8 11.754 4.893 1.683 59 H CYS 9 H CYS 9 11.438 2.886 4.101 60 HA CYS 9 HA CYS 9 8.568 3.163 4.202 61 HB2 CYS 9 HB2 CYS 9 8.306 0.680 4.773 62 HB3 CYS 9 HB3 CYS 9 8.519 1.094 3.075 63 H SER 10 H SER 10 7.813 1.888 6.328 64 HA SER 10 HA SER 10 9.727 2.666 8.429 65 HB2 SER 10 HB2 SER 10 7.788 3.078 9.873 66 HB3 SER 10 HB3 SER 10 7.675 4.032 8.395 67 HG SER 10 HG SER 10 6.110 2.697 7.642 68 H SER 11 H SER 11 7.762 0.134 7.148 69 HA SER 11 HA SER 11 8.717 -1.650 9.284 70 HB2 SER 11 HB2 SER 11 6.186 -0.989 9.323 71 HB3 SER 11 HB3 SER 11 6.057 -2.123 7.979 72 HG SER 11 HG SER 11 5.804 -3.447 9.636 73 H THR 12 H THR 12 8.744 -3.950 8.637 74 HA THR 12 HA THR 12 10.041 -4.260 6.124 75 HB THR 12 HB THR 12 9.997 -6.716 6.691 76 HG1 THR 12 HG1 THR 12 8.248 -6.967 7.991 77 HG21 THR 12 HG21 THR 12 11.214 -6.090 9.063 78 HG22 THR 12 HG22 THR 12 11.269 -4.553 8.201 79 HG23 THR 12 HG23 THR 12 11.976 -5.996 7.476 80 H SER 13 H SER 13 6.776 -4.612 7.206 81 HA SER 13 HA SER 13 5.780 -6.415 5.318 82 HB2 SER 13 HB2 SER 13 4.477 -5.684 7.261 83 HB3 SER 13 HB3 SER 13 4.379 -4.053 6.597 84 HG SER 13 HG SER 13 2.942 -4.705 5.155 85 H ASP 14 H ASP 14 6.820 -3.155 4.978 86 HA ASP 14 HA ASP 14 5.334 -2.515 2.629 87 HB2 ASP 14 HB2 ASP 14 7.624 -1.307 4.109 88 HB3 ASP 14 HB3 ASP 14 7.365 -0.807 2.440 89 H CYS 15 H CYS 15 8.549 -3.838 3.244 90 HA CYS 15 HA CYS 15 9.419 -3.796 0.545 91 HB2 CYS 15 HB2 CYS 15 10.330 -5.519 2.859 92 HB3 CYS 15 HB3 CYS 15 11.173 -5.364 1.322 93 H CYS 16 H CYS 16 8.478 -4.883 -1.046 94 HA CYS 16 HA CYS 16 7.507 -7.612 -0.498 95 HB2 CYS 16 HB2 CYS 16 6.468 -5.736 -2.629 96 HB3 CYS 16 HB3 CYS 16 5.798 -7.299 -2.171 97 H LYS 17 H LYS 17 9.782 -5.779 -2.123 98 HA LYS 17 HA LYS 17 10.058 -7.637 -4.359 99 HB2 LYS 17 HB2 LYS 17 11.268 -4.976 -3.681 100 HB3 LYS 17 HB3 LYS 17 12.024 -6.011 -4.884 101 HG2 LYS 17 HG2 LYS 17 9.130 -5.237 -5.045 102 HG3 LYS 17 HG3 LYS 17 10.416 -4.233 -5.719 103 HD2 LYS 17 HD2 LYS 17 10.177 -7.145 -6.410 104 HD3 LYS 17 HD3 LYS 17 9.252 -5.915 -7.275 105 HE2 LYS 17 HE2 LYS 17 11.312 -4.779 -7.894 106 HE3 LYS 17 HE3 LYS 17 12.255 -5.954 -6.979 107 HZ1 LYS 17 HZ1 LYS 17 12.408 -6.942 -8.976 108 HZ2 LYS 17 HZ2 LYS 17 11.015 -6.205 -9.590 109 HZ3 LYS 17 HZ3 LYS 17 10.882 -7.564 -8.592 110 H HIS 18 H HIS 18 10.526 -8.699 -1.781 111 HA HIS 18 HA HIS 18 12.003 -10.045 -0.693 112 HB2 HIS 18 HB2 HIS 18 13.827 -9.679 -3.073 113 HB3 HIS 18 HB3 HIS 18 13.817 -11.016 -1.927 114 HD1 HIS 18 HD1 HIS 18 12.971 -10.474 -5.240 115 HD2 HIS 18 HD2 HIS 18 10.905 -12.169 -2.059 116 HE1 HIS 18 HE1 HIS 18 11.196 -11.916 -6.284 117 H LEU 19 H LEU 19 12.025 -7.385 0.020 118 HA LEU 19 HA LEU 19 14.871 -6.942 0.637 119 HB2 LEU 19 HB2 LEU 19 12.759 -4.829 0.236 120 HB3 LEU 19 HB3 LEU 19 14.451 -4.546 0.641 121 HG LEU 19 HG LEU 19 14.004 -6.064 -1.838 122 HD11 LEU 19 HD11 LEU 19 12.161 -4.241 -1.656 123 HD12 LEU 19 HD12 LEU 19 13.102 -4.389 -3.140 124 HD13 LEU 19 HD13 LEU 19 13.490 -3.125 -1.973 125 HD21 LEU 19 HD21 LEU 19 15.867 -4.862 -2.580 126 HD22 LEU 19 HD22 LEU 19 16.181 -5.135 -0.866 127 HD23 LEU 19 HD23 LEU 19 15.605 -3.561 -1.419 128 H SER 20 H SER 20 15.176 -5.583 2.632 129 HA SER 20 HA SER 20 13.112 -6.223 4.637 130 HB2 SER 20 HB2 SER 20 14.630 -7.411 5.777 131 HB3 SER 20 HB3 SER 20 15.836 -7.074 4.536 132 HG SER 20 HG SER 20 16.450 -5.248 5.651 133 H CYS 21 H CYS 21 12.276 -4.508 5.606 134 HA CYS 21 HA CYS 21 13.448 -1.898 5.227 135 HB2 CYS 21 HB2 CYS 21 10.902 -2.650 5.307 136 HB3 CYS 21 HB3 CYS 21 11.106 -2.325 7.025 137 H ARG 22 H ARG 22 14.903 -1.038 6.539 138 HA ARG 22 HA ARG 22 15.328 -2.172 9.183 139 HB2 ARG 22 HB2 ARG 22 16.868 -0.009 7.737 140 HB3 ARG 22 HB3 ARG 22 17.359 -0.815 9.221 141 HG2 ARG 22 HG2 ARG 22 16.815 -2.520 6.861 142 HG3 ARG 22 HG3 ARG 22 18.275 -1.530 6.839 143 HD2 ARG 22 HD2 ARG 22 17.690 -3.096 9.294 144 HD3 ARG 22 HD3 ARG 22 18.242 -3.974 7.868 145 HE ARG 22 HE ARG 22 19.919 -1.755 8.341 146 HH11 ARG 22 HH11 ARG 22 19.151 -4.904 9.612 147 HH12 ARG 22 HH12 ARG 22 20.724 -5.158 10.291 148 HH21 ARG 22 HH21 ARG 22 21.995 -2.078 9.230 149 HH22 ARG 22 HH22 ARG 22 22.341 -3.549 10.074 150 H SER 23 H SER 23 14.865 -1.195 11.073 151 HA SER 23 HA SER 23 13.121 1.082 11.040 152 HB2 SER 23 HB2 SER 23 12.579 0.494 13.179 153 HB3 SER 23 HB3 SER 23 13.320 -1.032 12.697 154 HG SER 23 HG SER 23 14.729 -0.698 14.203 155 H ASP 24 H ASP 24 16.408 0.802 10.884 156 HA ASP 24 HA ASP 24 17.079 3.049 12.582 157 HB2 ASP 24 HB2 ASP 24 18.650 1.233 10.772 158 HB3 ASP 24 HB3 ASP 24 19.369 2.708 11.414 159 H TRP 25 H TRP 25 17.428 2.375 9.094 160 HA TRP 25 HA TRP 25 17.545 5.246 8.578 161 HB2 TRP 25 HB2 TRP 25 18.256 2.790 7.033 162 HB3 TRP 25 HB3 TRP 25 17.867 4.260 6.143 163 HD1 TRP 25 HD1 TRP 25 20.184 3.389 9.149 164 HE1 TRP 25 HE1 TRP 25 22.405 4.646 8.814 165 HE3 TRP 25 HE3 TRP 25 19.089 5.822 4.789 166 HZ2 TRP 25 HZ2 TRP 25 23.542 6.433 6.948 167 HZ3 TRP 25 HZ3 TRP 25 20.797 7.287 3.794 168 HH2 TRP 25 HH2 TRP 25 22.977 7.585 4.853 169 H LYS 26 H LYS 26 15.282 2.739 8.608 170 HA LYS 26 HA LYS 26 13.090 2.615 8.016 171 HB2 LYS 26 HB2 LYS 26 13.257 5.535 7.280 172 HB3 LYS 26 HB3 LYS 26 11.834 4.628 7.775 173 HG2 LYS 26 HG2 LYS 26 13.026 4.293 10.002 174 HG3 LYS 26 HG3 LYS 26 14.139 5.550 9.457 175 HD2 LYS 26 HD2 LYS 26 12.575 6.779 10.632 176 HD3 LYS 26 HD3 LYS 26 11.955 6.892 8.983 177 HE2 LYS 26 HE2 LYS 26 10.252 5.348 9.394 178 HE3 LYS 26 HE3 LYS 26 11.046 4.717 10.835 179 HZ1 LYS 26 HZ1 LYS 26 10.419 7.513 11.016 180 HZ2 LYS 26 HZ2 LYS 26 10.100 6.263 12.109 181 HZ3 LYS 26 HZ3 LYS 26 9.047 6.543 10.815 182 H TYR 27 H TYR 27 14.744 1.659 6.148 183 HA TYR 27 HA TYR 27 13.289 2.194 3.699 184 HB2 TYR 27 HB2 TYR 27 15.096 2.842 2.361 185 HB3 TYR 27 HB3 TYR 27 15.343 3.758 3.843 186 HD1 TYR 27 HD2 TYR 27 16.659 2.043 5.665 187 HD2 TYR 27 HD1 TYR 27 17.105 2.203 1.437 188 HE1 TYR 27 HE2 TYR 27 18.921 1.101 5.874 189 HE2 TYR 27 HE1 TYR 27 19.368 1.260 1.634 190 HH TYR 27 HH TYR 27 20.490 -0.315 4.175 191 H CYS 28 H CYS 28 13.609 0.565 2.078 192 HA CYS 28 HA CYS 28 13.832 -2.039 3.139 193 HB2 CYS 28 HB2 CYS 28 13.591 -0.907 0.375 194 HB3 CYS 28 HB3 CYS 28 13.944 -2.619 0.584 195 H ALA 29 H ALA 29 15.312 -3.731 2.231 196 HA ALA 29 HA ALA 29 17.948 -2.777 1.447 197 HB1 ALA 29 HB1 ALA 29 18.335 -2.681 3.741 198 HB2 ALA 29 HB2 ALA 29 17.377 -4.127 4.061 199 HB3 ALA 29 HB3 ALA 29 18.954 -4.268 3.284 200 H TRP 30 H TRP 30 19.090 -4.240 0.257 201 HA TRP 30 HA TRP 30 17.660 -6.473 -0.800 202 HB2 TRP 30 HB2 TRP 30 20.232 -5.118 -1.327 203 HB3 TRP 30 HB3 TRP 30 20.184 -6.832 -1.732 204 HD1 TRP 30 HD1 TRP 30 19.908 -3.828 -3.510 205 HE1 TRP 30 HE1 TRP 30 18.286 -3.956 -5.505 206 HE3 TRP 30 HE3 TRP 30 17.335 -8.045 -2.194 207 HZ2 TRP 30 HZ2 TRP 30 16.192 -5.624 -6.401 208 HZ3 TRP 30 HZ3 TRP 30 15.537 -8.840 -3.674 209 HH2 TRP 30 HH2 TRP 30 14.979 -7.653 -5.733 210 H ASP 31 H ASP 31 18.700 -8.667 -0.962 211 HA ASP 31 HA ASP 31 19.266 -10.604 0.094 212 HB2 ASP 31 HB2 ASP 31 21.332 -8.945 1.543 213 HB3 ASP 31 HB3 ASP 31 21.411 -10.660 1.146 214 H GLY 32 H GLY 32 17.240 -8.913 1.346 215 HA2 GLY 32 HA2 GLY 32 16.015 -8.803 3.285 216 HA3 GLY 32 HA3 GLY 32 16.739 -10.360 3.661 217 H THR 33 H THR 33 16.760 -9.792 5.881 218 HA THR 33 HA THR 33 18.022 -7.496 6.914 219 HB THR 33 HB THR 33 18.007 -10.052 8.470 220 HG1 THR 33 HG1 THR 33 15.695 -9.293 8.926 221 HG21 THR 33 HG21 THR 33 18.080 -7.185 8.986 222 HG22 THR 33 HG22 THR 33 18.546 -8.532 10.025 223 HG23 THR 33 HG23 THR 33 16.861 -8.021 9.946 224 H PHE 34 H PHE 34 20.027 -7.394 8.135 225 HA PHE 34 HA PHE 34 22.090 -9.201 7.057 226 HB2 PHE 34 HB2 PHE 34 22.216 -6.234 7.600 227 HB3 PHE 34 HB3 PHE 34 23.653 -7.219 7.346 228 HD1 PHE 34 HD2 PHE 34 23.590 -8.693 5.157 229 HD2 PHE 34 HD1 PHE 34 21.287 -5.171 5.793 230 HE1 PHE 34 HE2 PHE 34 23.353 -8.414 2.724 231 HE2 PHE 34 HE1 PHE 34 21.045 -4.887 3.361 232 HZ PHE 34 HZ PHE 34 22.080 -6.508 1.823 233 H SER 35 H SER 35 21.978 -10.584 8.848 234 HA SER 35 HA SER 35 22.600 -9.449 11.471 235 HB2 SER 35 HB2 SER 35 21.525 -12.086 10.531 236 HB3 SER 35 HB3 SER 35 22.282 -11.969 12.119 237 HG SER 35 HG SER 35 19.823 -11.222 11.378 Start of MODEL 16 1 H1 GLU 1 H GLU 1 0.632 -1.203 -0.601 2 HA GLU 1 HA GLU 1 2.188 0.226 -2.501 3 HB2 GLU 1 HB2 GLU 1 1.704 0.542 0.451 4 HB3 GLU 1 HB3 GLU 1 2.840 1.577 -0.403 5 HG2 GLU 1 HG2 GLU 1 0.764 2.721 -0.273 6 HG3 GLU 1 HG3 GLU 1 0.995 2.216 -1.946 7 H CYS 2 H CYS 2 3.755 -1.339 -3.152 8 HA CYS 2 HA CYS 2 5.844 -1.900 -1.159 9 HB2 CYS 2 HB2 CYS 2 5.521 -3.207 -3.863 10 HB3 CYS 2 HB3 CYS 2 6.532 -3.743 -2.525 11 H ARG 3 H ARG 3 7.965 -1.346 -1.530 12 HA ARG 3 HA ARG 3 8.551 0.176 -3.974 13 HB2 ARG 3 HB2 ARG 3 9.545 1.028 -1.259 14 HB3 ARG 3 HB3 ARG 3 9.610 1.926 -2.770 15 HG2 ARG 3 HG2 ARG 3 6.904 1.431 -2.355 16 HG3 ARG 3 HG3 ARG 3 7.545 1.848 -0.764 17 HD2 ARG 3 HD2 ARG 3 8.573 3.869 -1.758 18 HD3 ARG 3 HD3 ARG 3 7.813 3.464 -3.296 19 HE ARG 3 HE ARG 3 5.946 3.648 -1.128 20 HH11 ARG 3 HH11 ARG 3 7.707 5.452 -3.529 21 HH12 ARG 3 HH12 ARG 3 6.574 6.763 -3.564 22 HH21 ARG 3 HH21 ARG 3 4.446 5.367 -1.166 23 HH22 ARG 3 HH22 ARG 3 4.720 6.713 -2.219 24 H TYR 4 H TYR 4 11.015 0.627 -4.071 25 HA TYR 4 HA TYR 4 12.327 -1.947 -3.745 26 HB2 TYR 4 HB2 TYR 4 14.210 -0.563 -4.971 27 HB3 TYR 4 HB3 TYR 4 12.812 -1.161 -5.856 28 HD1 TYR 4 HD2 TYR 4 14.342 1.832 -4.335 29 HD2 TYR 4 HD1 TYR 4 11.225 0.341 -6.818 30 HE1 TYR 4 HE2 TYR 4 13.828 4.126 -5.057 31 HE2 TYR 4 HE1 TYR 4 10.703 2.631 -7.547 32 HH TYR 4 HH TYR 4 11.287 4.772 -7.451 33 H LEU 5 H LEU 5 14.905 -1.472 -3.394 34 HA LEU 5 HA LEU 5 15.251 -1.128 -0.679 35 HB2 LEU 5 HB2 LEU 5 16.856 -2.118 -2.372 36 HB3 LEU 5 HB3 LEU 5 17.360 -0.465 -2.719 37 HG LEU 5 HG LEU 5 17.494 -1.534 0.076 38 HD11 LEU 5 HD11 LEU 5 19.829 -2.197 -0.380 39 HD12 LEU 5 HD12 LEU 5 19.538 -1.946 -2.101 40 HD13 LEU 5 HD13 LEU 5 18.650 -3.196 -1.230 41 HD21 LEU 5 HD21 LEU 5 19.500 0.058 0.014 42 HD22 LEU 5 HD22 LEU 5 17.886 0.768 0.002 43 HD23 LEU 5 HD23 LEU 5 18.811 0.656 -1.496 44 H PHE 6 H PHE 6 15.810 1.259 -3.256 45 HA PHE 6 HA PHE 6 16.421 3.351 -1.382 46 HB2 PHE 6 HB2 PHE 6 15.847 3.484 -4.350 47 HB3 PHE 6 HB3 PHE 6 16.480 4.806 -3.374 48 HD1 PHE 6 HD2 PHE 6 18.754 4.659 -2.423 49 HD2 PHE 6 HD1 PHE 6 17.248 1.736 -5.126 50 HE1 PHE 6 HE2 PHE 6 21.047 3.872 -2.845 51 HE2 PHE 6 HE1 PHE 6 19.538 0.944 -5.551 52 HZ PHE 6 HZ PHE 6 21.441 2.013 -4.411 53 H GLY 7 H GLY 7 13.585 1.901 -2.309 54 HA2 GLY 7 HA2 GLY 7 11.780 3.975 -2.728 55 HA3 GLY 7 HA3 GLY 7 11.378 2.437 -1.979 56 H GLY 8 H GLY 8 12.078 2.270 0.388 57 HA2 GLY 8 HA2 GLY 8 12.526 3.478 2.442 58 HA3 GLY 8 HA3 GLY 8 11.739 4.877 1.727 59 H CYS 9 H CYS 9 11.336 2.880 4.133 60 HA CYS 9 HA CYS 9 8.465 3.163 4.139 61 HB2 CYS 9 HB2 CYS 9 8.189 0.673 4.710 62 HB3 CYS 9 HB3 CYS 9 8.429 1.096 3.018 63 H SER 10 H SER 10 7.635 1.893 6.239 64 HA SER 10 HA SER 10 9.464 2.701 8.401 65 HB2 SER 10 HB2 SER 10 7.380 3.996 8.330 66 HB3 SER 10 HB3 SER 10 6.441 2.506 8.421 67 HG SER 10 HG SER 10 7.469 3.943 10.416 68 H SER 11 H SER 11 7.639 0.100 7.052 69 HA SER 11 HA SER 11 8.647 -1.668 9.171 70 HB2 SER 11 HB2 SER 11 6.136 -1.084 9.364 71 HB3 SER 11 HB3 SER 11 5.933 -2.108 7.943 72 HG SER 11 HG SER 11 5.667 -3.369 9.767 73 H THR 12 H THR 12 8.614 -3.988 8.496 74 HA THR 12 HA THR 12 9.888 -4.264 5.966 75 HB THR 12 HB THR 12 10.059 -6.632 6.478 76 HG1 THR 12 HG1 THR 12 8.848 -7.582 8.013 77 HG21 THR 12 HG21 THR 12 11.409 -4.808 7.744 78 HG22 THR 12 HG22 THR 12 11.460 -6.473 8.324 79 HG23 THR 12 HG23 THR 12 10.430 -5.289 9.130 80 H SER 13 H SER 13 6.631 -4.614 7.077 81 HA SER 13 HA SER 13 5.589 -6.377 5.186 82 HB2 SER 13 HB2 SER 13 4.454 -4.188 6.866 83 HB3 SER 13 HB3 SER 13 3.459 -4.828 5.558 84 HG SER 13 HG SER 13 3.758 -6.912 6.472 85 H ASP 14 H ASP 14 6.654 -3.115 4.856 86 HA ASP 14 HA ASP 14 5.184 -2.472 2.499 87 HB2 ASP 14 HB2 ASP 14 7.574 -1.281 3.876 88 HB3 ASP 14 HB3 ASP 14 7.073 -0.701 2.290 89 H CYS 15 H CYS 15 8.393 -3.801 3.132 90 HA CYS 15 HA CYS 15 9.280 -3.756 0.440 91 HB2 CYS 15 HB2 CYS 15 10.175 -5.492 2.751 92 HB3 CYS 15 HB3 CYS 15 11.032 -5.318 1.223 93 H CYS 16 H CYS 16 8.537 -4.919 -1.194 94 HA CYS 16 HA CYS 16 7.429 -7.593 -0.633 95 HB2 CYS 16 HB2 CYS 16 6.591 -5.713 -2.850 96 HB3 CYS 16 HB3 CYS 16 5.879 -7.279 -2.479 97 H LYS 17 H LYS 17 9.873 -5.883 -2.133 98 HA LYS 17 HA LYS 17 10.245 -7.808 -4.298 99 HB2 LYS 17 HB2 LYS 17 10.706 -5.110 -4.157 100 HB3 LYS 17 HB3 LYS 17 12.316 -5.765 -3.892 101 HG2 LYS 17 HG2 LYS 17 12.330 -5.593 -6.159 102 HG3 LYS 17 HG3 LYS 17 11.696 -7.232 -5.990 103 HD2 LYS 17 HD2 LYS 17 10.278 -6.210 -7.552 104 HD3 LYS 17 HD3 LYS 17 9.380 -6.148 -6.034 105 HE2 LYS 17 HE2 LYS 17 9.130 -4.012 -6.973 106 HE3 LYS 17 HE3 LYS 17 10.368 -3.820 -5.734 107 HZ1 LYS 17 HZ1 LYS 17 11.355 -2.755 -7.468 108 HZ2 LYS 17 HZ2 LYS 17 10.624 -3.721 -8.648 109 HZ3 LYS 17 HZ3 LYS 17 11.934 -4.318 -7.759 110 H HIS 18 H HIS 18 10.490 -8.814 -1.668 111 HA HIS 18 HA HIS 18 11.838 -10.183 -0.449 112 HB2 HIS 18 HB2 HIS 18 13.865 -9.920 -2.670 113 HB3 HIS 18 HB3 HIS 18 13.695 -11.243 -1.520 114 HD1 HIS 18 HD1 HIS 18 13.251 -10.810 -4.889 115 HD2 HIS 18 HD2 HIS 18 10.684 -12.166 -1.917 116 HE1 HIS 18 HE1 HIS 18 11.497 -12.161 -6.081 117 H LEU 19 H LEU 19 12.026 -7.229 -0.287 118 HA LEU 19 HA LEU 19 14.793 -6.905 0.638 119 HB2 LEU 19 HB2 LEU 19 12.657 -4.828 0.181 120 HB3 LEU 19 HB3 LEU 19 14.325 -4.508 0.651 121 HG LEU 19 HG LEU 19 13.958 -6.022 -1.858 122 HD11 LEU 19 HD11 LEU 19 13.411 -3.065 -1.814 123 HD12 LEU 19 HD12 LEU 19 12.134 -4.281 -1.858 124 HD13 LEU 19 HD13 LEU 19 13.297 -4.177 -3.179 125 HD21 LEU 19 HD21 LEU 19 15.615 -3.574 -1.328 126 HD22 LEU 19 HD22 LEU 19 15.873 -4.845 -2.524 127 HD23 LEU 19 HD23 LEU 19 16.127 -5.180 -0.810 128 H SER 20 H SER 20 15.099 -5.638 2.654 129 HA SER 20 HA SER 20 12.985 -6.243 4.618 130 HB2 SER 20 HB2 SER 20 14.688 -6.719 6.268 131 HB3 SER 20 HB3 SER 20 15.012 -7.695 4.835 132 HG SER 20 HG SER 20 16.348 -5.371 5.728 133 H CYS 21 H CYS 21 12.107 -4.470 5.428 134 HA CYS 21 HA CYS 21 13.311 -1.894 5.121 135 HB2 CYS 21 HB2 CYS 21 10.770 -2.625 5.237 136 HB3 CYS 21 HB3 CYS 21 10.998 -2.338 6.959 137 H ARG 22 H ARG 22 15.017 -1.355 6.323 138 HA ARG 22 HA ARG 22 15.446 -2.397 8.958 139 HB2 ARG 22 HB2 ARG 22 16.896 -0.170 7.516 140 HB3 ARG 22 HB3 ARG 22 17.453 -1.002 8.961 141 HG2 ARG 22 HG2 ARG 22 16.850 -2.694 6.618 142 HG3 ARG 22 HG3 ARG 22 18.259 -1.639 6.497 143 HD2 ARG 22 HD2 ARG 22 17.913 -3.235 8.980 144 HD3 ARG 22 HD3 ARG 22 18.414 -4.080 7.516 145 HE ARG 22 HE ARG 22 20.020 -1.802 7.854 146 HH11 ARG 22 HH11 ARG 22 19.445 -4.917 9.299 147 HH12 ARG 22 HH12 ARG 22 21.058 -5.078 9.908 148 HH21 ARG 22 HH21 ARG 22 22.148 -2.002 8.651 149 HH22 ARG 22 HH22 ARG 22 22.595 -3.419 9.540 150 H SER 23 H SER 23 14.982 -1.504 10.881 151 HA SER 23 HA SER 23 13.236 0.769 10.966 152 HB2 SER 23 HB2 SER 23 13.128 -1.279 12.486 153 HB3 SER 23 HB3 SER 23 14.504 -0.588 13.346 154 HG SER 23 HG SER 23 13.184 1.307 13.654 155 H ASP 24 H ASP 24 16.525 0.494 10.763 156 HA ASP 24 HA ASP 24 17.245 2.642 12.550 157 HB2 ASP 24 HB2 ASP 24 18.711 0.890 10.620 158 HB3 ASP 24 HB3 ASP 24 19.464 2.394 11.144 159 H TRP 25 H TRP 25 17.440 2.223 9.011 160 HA TRP 25 HA TRP 25 17.467 5.133 8.712 161 HB2 TRP 25 HB2 TRP 25 18.362 2.838 7.063 162 HB3 TRP 25 HB3 TRP 25 17.740 4.232 6.184 163 HD1 TRP 25 HD1 TRP 25 20.265 3.728 9.107 164 HE1 TRP 25 HE1 TRP 25 22.281 5.267 8.672 165 HE3 TRP 25 HE3 TRP 25 18.694 5.913 4.761 166 HZ2 TRP 25 HZ2 TRP 25 23.098 7.158 6.741 167 HZ3 TRP 25 HZ3 TRP 25 20.152 7.578 3.684 168 HH2 TRP 25 HH2 TRP 25 22.307 8.186 4.655 169 H LYS 26 H LYS 26 15.290 2.580 8.652 170 HA LYS 26 HA LYS 26 13.094 2.413 8.084 171 HB2 LYS 26 HB2 LYS 26 13.182 5.365 7.464 172 HB3 LYS 26 HB3 LYS 26 11.781 4.404 7.917 173 HG2 LYS 26 HG2 LYS 26 12.779 4.054 10.145 174 HG3 LYS 26 HG3 LYS 26 14.118 5.106 9.680 175 HD2 LYS 26 HD2 LYS 26 12.472 6.923 9.267 176 HD3 LYS 26 HD3 LYS 26 11.205 5.863 9.888 177 HE2 LYS 26 HE2 LYS 26 11.876 7.298 11.668 178 HE3 LYS 26 HE3 LYS 26 12.512 5.691 12.015 179 HZ1 LYS 26 HZ1 LYS 26 14.573 6.471 12.004 180 HZ2 LYS 26 HZ2 LYS 26 13.934 8.036 11.937 181 HZ3 LYS 26 HZ3 LYS 26 14.366 7.237 10.510 182 H TYR 27 H TYR 27 14.738 1.565 6.161 183 HA TYR 27 HA TYR 27 13.236 2.153 3.753 184 HB2 TYR 27 HB2 TYR 27 15.015 2.878 2.411 185 HB3 TYR 27 HB3 TYR 27 15.247 3.761 3.916 186 HD1 TYR 27 HD2 TYR 27 16.636 2.071 5.686 187 HD2 TYR 27 HD1 TYR 27 17.021 2.286 1.454 188 HE1 TYR 27 HE2 TYR 27 18.926 1.189 5.856 189 HE2 TYR 27 HE1 TYR 27 19.312 1.403 1.612 190 HH TYR 27 HH TYR 27 21.116 1.252 3.256 191 H CYS 28 H CYS 28 13.360 0.524 2.191 192 HA CYS 28 HA CYS 28 13.692 -2.078 3.106 193 HB2 CYS 28 HB2 CYS 28 13.494 -0.861 0.372 194 HB3 CYS 28 HB3 CYS 28 13.833 -2.581 0.541 195 H ALA 29 H ALA 29 15.220 -3.724 2.433 196 HA ALA 29 HA ALA 29 17.856 -2.743 1.624 197 HB1 ALA 29 HB1 ALA 29 17.306 -3.192 4.272 198 HB2 ALA 29 HB2 ALA 29 18.034 -4.716 3.763 199 HB3 ALA 29 HB3 ALA 29 18.910 -3.202 3.539 200 H TRP 30 H TRP 30 19.094 -4.219 0.510 201 HA TRP 30 HA TRP 30 17.685 -6.425 -0.656 202 HB2 TRP 30 HB2 TRP 30 20.261 -5.045 -1.089 203 HB3 TRP 30 HB3 TRP 30 20.237 -6.752 -1.522 204 HD1 TRP 30 HD1 TRP 30 19.992 -3.725 -3.262 205 HE1 TRP 30 HE1 TRP 30 18.426 -3.832 -5.302 206 HE3 TRP 30 HE3 TRP 30 17.407 -7.974 -2.080 207 HZ2 TRP 30 HZ2 TRP 30 16.368 -5.497 -6.281 208 HZ3 TRP 30 HZ3 TRP 30 15.656 -8.756 -3.621 209 HH2 TRP 30 HH2 TRP 30 15.148 -7.542 -5.677 210 H ASP 31 H ASP 31 18.744 -8.609 -0.826 211 HA ASP 31 HA ASP 31 19.284 -10.561 0.217 212 HB2 ASP 31 HB2 ASP 31 21.314 -8.947 1.758 213 HB3 ASP 31 HB3 ASP 31 21.411 -10.638 1.276 214 H GLY 32 H GLY 32 17.222 -8.909 1.446 215 HA2 GLY 32 HA2 GLY 32 15.936 -8.870 3.346 216 HA3 GLY 32 HA3 GLY 32 16.727 -10.384 3.759 217 H THR 33 H THR 33 16.691 -9.807 5.970 218 HA THR 33 HA THR 33 17.880 -7.426 6.958 219 HB THR 33 HB THR 33 18.013 -8.919 9.130 220 HG1 THR 33 HG1 THR 33 16.844 -10.748 9.040 221 HG21 THR 33 HG21 THR 33 15.202 -8.634 8.635 222 HG22 THR 33 HG22 THR 33 16.065 -7.252 7.961 223 HG23 THR 33 HG23 THR 33 16.253 -7.663 9.666 224 H PHE 34 H PHE 34 19.832 -7.251 8.215 225 HA PHE 34 HA PHE 34 21.924 -9.114 7.303 226 HB2 PHE 34 HB2 PHE 34 21.976 -6.150 7.813 227 HB3 PHE 34 HB3 PHE 34 23.459 -7.099 7.817 228 HD1 PHE 34 HD2 PHE 34 23.900 -8.548 5.720 229 HD2 PHE 34 HD1 PHE 34 21.165 -5.288 5.831 230 HE1 PHE 34 HE2 PHE 34 24.024 -8.365 3.270 231 HE2 PHE 34 HE1 PHE 34 21.284 -5.101 3.381 232 HZ PHE 34 HZ PHE 34 22.716 -6.640 2.097 233 H SER 35 H SER 35 22.279 -10.513 8.914 234 HA SER 35 HA SER 35 22.635 -9.422 11.630 235 HB2 SER 35 HB2 SER 35 21.726 -11.378 12.563 236 HB3 SER 35 HB3 SER 35 20.684 -11.057 11.176 237 HG SER 35 HG SER 35 21.352 -13.255 11.296 Start of MODEL 17 1 H1 GLU 1 H GLU 1 0.355 -1.389 -1.746 2 HA GLU 1 HA GLU 1 2.181 0.622 -2.070 3 HB2 GLU 1 HB2 GLU 1 1.040 -0.670 0.384 4 HB3 GLU 1 HB3 GLU 1 2.240 0.606 0.539 5 HG2 GLU 1 HG2 GLU 1 0.288 1.794 0.667 6 HG3 GLU 1 HG3 GLU 1 0.661 1.919 -1.052 7 H CYS 2 H CYS 2 3.739 -1.148 -3.125 8 HA CYS 2 HA CYS 2 5.769 -1.819 -1.096 9 HB2 CYS 2 HB2 CYS 2 5.465 -3.113 -3.808 10 HB3 CYS 2 HB3 CYS 2 6.486 -3.644 -2.476 11 H ARG 3 H ARG 3 7.893 -1.260 -1.456 12 HA ARG 3 HA ARG 3 8.468 0.313 -3.873 13 HB2 ARG 3 HB2 ARG 3 9.464 1.071 -1.128 14 HB3 ARG 3 HB3 ARG 3 9.586 2.005 -2.613 15 HG2 ARG 3 HG2 ARG 3 6.844 1.498 -2.170 16 HG3 ARG 3 HG3 ARG 3 7.539 2.040 -0.641 17 HD2 ARG 3 HD2 ARG 3 8.514 3.982 -1.808 18 HD3 ARG 3 HD3 ARG 3 7.740 3.450 -3.300 19 HE ARG 3 HE ARG 3 5.928 3.826 -1.091 20 HH11 ARG 3 HH11 ARG 3 7.530 5.324 -3.795 21 HH12 ARG 3 HH12 ARG 3 6.358 6.590 -3.956 22 HH21 ARG 3 HH21 ARG 3 4.378 5.488 -1.293 23 HH22 ARG 3 HH22 ARG 3 4.566 6.683 -2.531 24 H TYR 4 H TYR 4 10.935 0.753 -3.981 25 HA TYR 4 HA TYR 4 12.236 -1.838 -3.728 26 HB2 TYR 4 HB2 TYR 4 14.101 -0.446 -4.974 27 HB3 TYR 4 HB3 TYR 4 12.685 -1.033 -5.838 28 HD1 TYR 4 HD2 TYR 4 14.223 1.946 -4.288 29 HD2 TYR 4 HD1 TYR 4 11.107 0.477 -6.784 30 HE1 TYR 4 HE2 TYR 4 13.698 4.248 -4.977 31 HE2 TYR 4 HE1 TYR 4 10.574 2.775 -7.481 32 HH TYR 4 HH TYR 4 10.996 5.220 -6.229 33 H LEU 5 H LEU 5 14.822 -1.378 -3.424 34 HA LEU 5 HA LEU 5 15.227 -1.071 -0.714 35 HB2 LEU 5 HB2 LEU 5 16.781 -1.989 -2.555 36 HB3 LEU 5 HB3 LEU 5 17.342 -0.325 -2.702 37 HG LEU 5 HG LEU 5 17.433 -1.864 -0.115 38 HD11 LEU 5 HD11 LEU 5 19.283 -1.869 -2.437 39 HD12 LEU 5 HD12 LEU 5 18.898 -3.152 -1.291 40 HD13 LEU 5 HD13 LEU 5 19.980 -1.843 -0.817 41 HD21 LEU 5 HD21 LEU 5 17.600 0.423 0.339 42 HD22 LEU 5 HD22 LEU 5 18.571 0.732 -1.101 43 HD23 LEU 5 HD23 LEU 5 19.275 -0.126 0.270 44 H PHE 6 H PHE 6 15.731 1.351 -3.270 45 HA PHE 6 HA PHE 6 16.402 3.415 -1.390 46 HB2 PHE 6 HB2 PHE 6 15.801 3.479 -4.351 47 HB3 PHE 6 HB3 PHE 6 16.261 4.901 -3.421 48 HD1 PHE 6 HD2 PHE 6 18.514 5.010 -2.380 49 HD2 PHE 6 HD1 PHE 6 17.406 1.909 -5.076 50 HE1 PHE 6 HE2 PHE 6 20.889 4.470 -2.729 51 HE2 PHE 6 HE1 PHE 6 19.779 1.363 -5.429 52 HZ PHE 6 HZ PHE 6 21.524 2.644 -4.254 53 H GLY 7 H GLY 7 13.527 1.991 -2.282 54 HA2 GLY 7 HA2 GLY 7 11.698 4.033 -2.611 55 HA3 GLY 7 HA3 GLY 7 11.342 2.514 -1.803 56 H GLY 8 H GLY 8 12.158 2.415 0.531 57 HA2 GLY 8 HA2 GLY 8 12.659 3.626 2.549 58 HA3 GLY 8 HA3 GLY 8 11.938 5.054 1.821 59 H CYS 9 H CYS 9 11.468 2.592 4.003 60 HA CYS 9 HA CYS 9 8.616 3.225 4.175 61 HB2 CYS 9 HB2 CYS 9 8.221 0.745 4.706 62 HB3 CYS 9 HB3 CYS 9 8.464 1.182 3.017 63 H SER 10 H SER 10 7.762 1.954 6.268 64 HA SER 10 HA SER 10 9.676 2.608 8.409 65 HB2 SER 10 HB2 SER 10 7.615 2.922 9.832 66 HB3 SER 10 HB3 SER 10 7.791 4.089 8.522 67 HG SER 10 HG SER 10 6.260 2.961 7.345 68 H SER 11 H SER 11 7.680 0.168 7.029 69 HA SER 11 HA SER 11 8.502 -1.682 9.164 70 HB2 SER 11 HB2 SER 11 6.103 -1.114 9.430 71 HB3 SER 11 HB3 SER 11 5.803 -1.693 7.791 72 HG SER 11 HG SER 11 5.361 -3.280 9.401 73 H THR 12 H THR 12 8.490 -3.966 8.479 74 HA THR 12 HA THR 12 9.833 -4.268 5.987 75 HB THR 12 HB THR 12 9.830 -6.693 6.512 76 HG1 THR 12 HG1 THR 12 8.513 -5.992 8.930 77 HG21 THR 12 HG21 THR 12 10.672 -4.722 8.619 78 HG22 THR 12 HG22 THR 12 11.665 -5.537 7.411 79 HG23 THR 12 HG23 THR 12 11.013 -6.445 8.774 80 H SER 13 H SER 13 6.543 -4.587 7.014 81 HA SER 13 HA SER 13 5.543 -6.340 5.088 82 HB2 SER 13 HB2 SER 13 3.400 -5.581 5.688 83 HB3 SER 13 HB3 SER 13 4.363 -5.300 7.139 84 HG SER 13 HG SER 13 2.928 -3.541 5.936 85 H ASP 14 H ASP 14 6.648 -3.095 4.799 86 HA ASP 14 HA ASP 14 5.224 -2.411 2.425 87 HB2 ASP 14 HB2 ASP 14 7.534 -1.257 3.932 88 HB3 ASP 14 HB3 ASP 14 7.242 -0.713 2.282 89 H CYS 15 H CYS 15 8.377 -3.834 3.103 90 HA CYS 15 HA CYS 15 9.321 -3.768 0.425 91 HB2 CYS 15 HB2 CYS 15 10.138 -5.511 2.759 92 HB3 CYS 15 HB3 CYS 15 11.012 -5.404 1.234 93 H CYS 16 H CYS 16 8.522 -4.872 -1.224 94 HA CYS 16 HA CYS 16 7.401 -7.550 -0.713 95 HB2 CYS 16 HB2 CYS 16 6.558 -5.600 -2.867 96 HB3 CYS 16 HB3 CYS 16 5.848 -7.181 -2.557 97 H LYS 17 H LYS 17 9.831 -5.811 -2.217 98 HA LYS 17 HA LYS 17 10.178 -7.708 -4.410 99 HB2 LYS 17 HB2 LYS 17 10.605 -5.024 -4.289 100 HB3 LYS 17 HB3 LYS 17 12.225 -5.628 -3.967 101 HG2 LYS 17 HG2 LYS 17 12.305 -5.477 -6.235 102 HG3 LYS 17 HG3 LYS 17 11.715 -7.133 -6.068 103 HD2 LYS 17 HD2 LYS 17 10.235 -6.300 -7.617 104 HD3 LYS 17 HD3 LYS 17 9.364 -5.968 -6.118 105 HE2 LYS 17 HE2 LYS 17 9.278 -4.020 -7.531 106 HE3 LYS 17 HE3 LYS 17 10.298 -3.676 -6.135 107 HZ1 LYS 17 HZ1 LYS 17 10.976 -3.726 -8.922 108 HZ2 LYS 17 HZ2 LYS 17 12.050 -4.624 -7.974 109 HZ3 LYS 17 HZ3 LYS 17 11.780 -2.990 -7.629 110 H HIS 18 H HIS 18 10.461 -8.750 -1.800 111 HA HIS 18 HA HIS 18 11.828 -10.138 -0.624 112 HB2 HIS 18 HB2 HIS 18 13.839 -9.814 -2.853 113 HB3 HIS 18 HB3 HIS 18 13.683 -11.163 -1.730 114 HD1 HIS 18 HD1 HIS 18 12.049 -13.002 -2.330 115 HD2 HIS 18 HD2 HIS 18 11.847 -9.743 -4.898 116 HE1 HIS 18 HE1 HIS 18 10.592 -13.742 -4.242 117 H LEU 19 H LEU 19 11.969 -7.218 -0.338 118 HA LEU 19 HA LEU 19 14.750 -6.877 0.548 119 HB2 LEU 19 HB2 LEU 19 12.594 -4.802 0.180 120 HB3 LEU 19 HB3 LEU 19 14.274 -4.490 0.612 121 HG LEU 19 HG LEU 19 13.832 -5.942 -1.923 122 HD11 LEU 19 HD11 LEU 19 13.161 -4.044 -3.175 123 HD12 LEU 19 HD12 LEU 19 13.293 -2.986 -1.771 124 HD13 LEU 19 HD13 LEU 19 12.018 -4.202 -1.841 125 HD21 LEU 19 HD21 LEU 19 16.037 -5.151 -0.925 126 HD22 LEU 19 HD22 LEU 19 15.522 -3.521 -1.363 127 HD23 LEU 19 HD23 LEU 19 15.731 -4.747 -2.615 128 H SER 20 H SER 20 15.041 -5.619 2.588 129 HA SER 20 HA SER 20 12.952 -6.300 4.553 130 HB2 SER 20 HB2 SER 20 15.902 -6.748 4.618 131 HB3 SER 20 HB3 SER 20 15.090 -6.351 6.133 132 HG SER 20 HG SER 20 14.310 -8.294 6.173 133 H CYS 21 H CYS 21 12.084 -4.557 5.435 134 HA CYS 21 HA CYS 21 13.343 -1.979 5.215 135 HB2 CYS 21 HB2 CYS 21 10.773 -2.691 5.193 136 HB3 CYS 21 HB3 CYS 21 10.931 -2.375 6.918 137 H ARG 22 H ARG 22 14.945 -1.446 6.545 138 HA ARG 22 HA ARG 22 15.107 -2.555 9.216 139 HB2 ARG 22 HB2 ARG 22 16.907 -0.728 7.627 140 HB3 ARG 22 HB3 ARG 22 17.227 -1.156 9.302 141 HG2 ARG 22 HG2 ARG 22 17.047 -3.596 8.460 142 HG3 ARG 22 HG3 ARG 22 17.298 -2.882 6.866 143 HD2 ARG 22 HD2 ARG 22 19.443 -3.473 7.622 144 HD3 ARG 22 HD3 ARG 22 19.328 -1.731 7.870 145 HE ARG 22 HE ARG 22 18.528 -3.068 10.214 146 HH11 ARG 22 HH11 ARG 22 21.374 -2.396 8.325 147 HH12 ARG 22 HH12 ARG 22 22.450 -2.467 9.681 148 HH21 ARG 22 HH21 ARG 22 19.934 -3.165 12.007 149 HH22 ARG 22 HH22 ARG 22 21.630 -2.905 11.775 150 H SER 23 H SER 23 14.744 -1.502 11.099 151 HA SER 23 HA SER 23 13.191 0.906 11.009 152 HB2 SER 23 HB2 SER 23 12.989 -1.091 12.660 153 HB3 SER 23 HB3 SER 23 14.291 -0.290 13.539 154 HG SER 23 HG SER 23 11.801 0.221 13.813 155 H ASP 24 H ASP 24 16.450 0.355 10.900 156 HA ASP 24 HA ASP 24 17.356 2.481 12.601 157 HB2 ASP 24 HB2 ASP 24 18.636 0.357 11.761 158 HB3 ASP 24 HB3 ASP 24 19.001 1.360 10.360 159 H TRP 25 H TRP 25 17.402 2.052 9.058 160 HA TRP 25 HA TRP 25 17.549 4.968 8.773 161 HB2 TRP 25 HB2 TRP 25 18.409 2.662 7.108 162 HB3 TRP 25 HB3 TRP 25 17.874 4.107 6.254 163 HD1 TRP 25 HD1 TRP 25 20.286 3.419 9.234 164 HE1 TRP 25 HE1 TRP 25 22.382 4.873 8.894 165 HE3 TRP 25 HE3 TRP 25 18.949 5.768 4.895 166 HZ2 TRP 25 HZ2 TRP 25 23.342 6.766 7.034 167 HZ3 TRP 25 HZ3 TRP 25 20.513 7.387 3.900 168 HH2 TRP 25 HH2 TRP 25 22.663 7.875 4.949 169 H LYS 26 H LYS 26 15.346 2.426 8.618 170 HA LYS 26 HA LYS 26 13.160 2.294 8.002 171 HB2 LYS 26 HB2 LYS 26 13.280 5.257 7.448 172 HB3 LYS 26 HB3 LYS 26 11.867 4.296 7.862 173 HG2 LYS 26 HG2 LYS 26 12.948 3.858 10.089 174 HG3 LYS 26 HG3 LYS 26 14.156 5.068 9.649 175 HD2 LYS 26 HD2 LYS 26 11.230 5.703 9.513 176 HD3 LYS 26 HD3 LYS 26 12.103 5.797 11.045 177 HE2 LYS 26 HE2 LYS 26 12.915 7.237 8.522 178 HE3 LYS 26 HE3 LYS 26 11.968 7.960 9.822 179 HZ1 LYS 26 HZ1 LYS 26 14.064 6.977 11.165 180 HZ2 LYS 26 HZ2 LYS 26 13.969 8.564 10.589 181 HZ3 LYS 26 HZ3 LYS 26 14.801 7.390 9.699 182 H TYR 27 H TYR 27 14.823 1.465 6.096 183 HA TYR 27 HA TYR 27 13.389 2.140 3.669 184 HB2 TYR 27 HB2 TYR 27 15.216 2.852 2.385 185 HB3 TYR 27 HB3 TYR 27 15.427 3.700 3.913 186 HD1 TYR 27 HD2 TYR 27 16.740 1.953 5.683 187 HD2 TYR 27 HD1 TYR 27 17.231 2.230 1.466 188 HE1 TYR 27 HE2 TYR 27 19.006 1.021 5.891 189 HE2 TYR 27 HE1 TYR 27 19.498 1.298 1.662 190 HH TYR 27 HH TYR 27 20.601 -0.369 4.033 191 H CYS 28 H CYS 28 13.368 0.497 2.173 192 HA CYS 28 HA CYS 28 13.713 -2.112 3.028 193 HB2 CYS 28 HB2 CYS 28 13.428 -0.843 0.332 194 HB3 CYS 28 HB3 CYS 28 13.804 -2.560 0.435 195 H ALA 29 H ALA 29 15.238 -3.735 2.538 196 HA ALA 29 HA ALA 29 17.859 -2.792 1.600 197 HB1 ALA 29 HB1 ALA 29 18.913 -4.221 3.372 198 HB2 ALA 29 HB2 ALA 29 18.079 -2.785 3.967 199 HB3 ALA 29 HB3 ALA 29 17.316 -4.369 4.106 200 H TRP 30 H TRP 30 19.029 -4.239 0.402 201 HA TRP 30 HA TRP 30 17.582 -6.426 -0.749 202 HB2 TRP 30 HB2 TRP 30 20.146 -5.044 -1.242 203 HB3 TRP 30 HB3 TRP 30 20.106 -6.744 -1.700 204 HD1 TRP 30 HD1 TRP 30 19.810 -3.691 -3.386 205 HE1 TRP 30 HE1 TRP 30 18.180 -3.765 -5.376 206 HE3 TRP 30 HE3 TRP 30 17.257 -7.955 -2.186 207 HZ2 TRP 30 HZ2 TRP 30 16.088 -5.413 -6.313 208 HZ3 TRP 30 HZ3 TRP 30 15.456 -8.712 -3.682 209 HH2 TRP 30 HH2 TRP 30 14.885 -7.466 -5.702 210 H ASP 31 H ASP 31 18.630 -8.609 -0.987 211 HA ASP 31 HA ASP 31 19.219 -10.577 -0.004 212 HB2 ASP 31 HB2 ASP 31 21.255 -8.995 1.560 213 HB3 ASP 31 HB3 ASP 31 21.363 -10.664 1.006 214 H GLY 32 H GLY 32 17.183 -8.917 1.307 215 HA2 GLY 32 HA2 GLY 32 15.920 -8.942 3.223 216 HA3 GLY 32 HA3 GLY 32 16.712 -10.469 3.582 217 H THR 33 H THR 33 16.449 -9.673 5.820 218 HA THR 33 HA THR 33 17.821 -7.417 6.793 219 HB THR 33 HB THR 33 17.439 -9.852 8.498 220 HG1 THR 33 HG1 THR 33 15.302 -9.672 8.421 221 HG21 THR 33 HG21 THR 33 17.145 -6.879 8.927 222 HG22 THR 33 HG22 THR 33 18.399 -7.934 9.579 223 HG23 THR 33 HG23 THR 33 16.732 -8.098 10.132 224 H PHE 34 H PHE 34 19.725 -7.381 8.169 225 HA PHE 34 HA PHE 34 21.725 -9.375 7.328 226 HB2 PHE 34 HB2 PHE 34 21.853 -6.417 7.642 227 HB3 PHE 34 HB3 PHE 34 23.292 -7.342 8.058 228 HD1 PHE 34 HD2 PHE 34 24.494 -8.605 6.356 229 HD2 PHE 34 HD1 PHE 34 21.105 -6.225 5.373 230 HE1 PHE 34 HE2 PHE 34 25.113 -8.712 3.977 231 HE2 PHE 34 HE1 PHE 34 21.718 -6.328 2.992 232 HZ PHE 34 HZ PHE 34 23.725 -7.572 2.292 233 H SER 35 H SER 35 23.161 -10.189 8.845 234 HA SER 35 HA SER 35 22.278 -9.901 11.623 235 HB2 SER 35 HB2 SER 35 22.377 -12.184 10.669 236 HB3 SER 35 HB3 SER 35 24.106 -11.978 10.392 237 HG SER 35 HG SER 35 24.215 -12.805 12.334 Start of MODEL 18 1 H1 GLU 1 H GLU 1 0.866 0.933 -0.364 2 HA GLU 1 HA GLU 1 1.644 -0.456 -2.718 3 HB2 GLU 1 HB2 GLU 1 1.071 2.076 -2.327 4 HB3 GLU 1 HB3 GLU 1 2.790 2.210 -1.985 5 HG2 GLU 1 HG2 GLU 1 2.662 2.723 -4.231 6 HG3 GLU 1 HG3 GLU 1 3.116 1.020 -4.240 7 H CYS 2 H CYS 2 3.463 -1.509 -3.173 8 HA CYS 2 HA CYS 2 5.552 -1.655 -1.173 9 HB2 CYS 2 HB2 CYS 2 5.476 -3.046 -3.852 10 HB3 CYS 2 HB3 CYS 2 6.414 -3.499 -2.433 11 H ARG 3 H ARG 3 7.753 -1.210 -1.549 12 HA ARG 3 HA ARG 3 8.344 0.441 -3.908 13 HB2 ARG 3 HB2 ARG 3 9.357 1.125 -1.152 14 HB3 ARG 3 HB3 ARG 3 9.440 2.104 -2.610 15 HG2 ARG 3 HG2 ARG 3 6.722 1.619 -2.209 16 HG3 ARG 3 HG3 ARG 3 7.381 1.967 -0.610 17 HD2 ARG 3 HD2 ARG 3 8.406 4.019 -1.505 18 HD3 ARG 3 HD3 ARG 3 7.683 3.676 -3.076 19 HE ARG 3 HE ARG 3 5.793 3.814 -0.906 20 HH11 ARG 3 HH11 ARG 3 7.508 5.598 -3.354 21 HH12 ARG 3 HH12 ARG 3 6.354 6.889 -3.406 22 HH21 ARG 3 HH21 ARG 3 4.267 5.508 -0.965 23 HH22 ARG 3 HH22 ARG 3 4.512 6.837 -2.046 24 H TYR 4 H TYR 4 10.814 0.867 -3.993 25 HA TYR 4 HA TYR 4 12.096 -1.737 -3.820 26 HB2 TYR 4 HB2 TYR 4 13.988 -0.315 -4.982 27 HB3 TYR 4 HB3 TYR 4 12.574 -0.840 -5.889 28 HD1 TYR 4 HD2 TYR 4 14.156 2.038 -4.206 29 HD2 TYR 4 HD1 TYR 4 11.010 0.737 -6.758 30 HE1 TYR 4 HE2 TYR 4 13.673 4.377 -4.792 31 HE2 TYR 4 HE1 TYR 4 10.519 3.073 -7.352 32 HH TYR 4 HH TYR 4 12.093 5.348 -7.333 33 H LEU 5 H LEU 5 14.681 -1.314 -3.461 34 HA LEU 5 HA LEU 5 15.046 -1.121 -0.733 35 HB2 LEU 5 HB2 LEU 5 16.636 -2.074 -2.420 36 HB3 LEU 5 HB3 LEU 5 17.124 -0.423 -2.799 37 HG LEU 5 HG LEU 5 17.342 -1.457 0.003 38 HD11 LEU 5 HD11 LEU 5 19.319 -1.899 -2.228 39 HD12 LEU 5 HD12 LEU 5 18.461 -3.137 -1.310 40 HD13 LEU 5 HD13 LEU 5 19.665 -2.123 -0.513 41 HD21 LEU 5 HD21 LEU 5 17.706 0.862 -0.165 42 HD22 LEU 5 HD22 LEU 5 18.662 0.689 -1.637 43 HD23 LEU 5 HD23 LEU 5 19.314 0.141 -0.091 44 H PHE 6 H PHE 6 15.632 1.390 -3.184 45 HA PHE 6 HA PHE 6 16.281 3.370 -1.205 46 HB2 PHE 6 HB2 PHE 6 15.641 3.776 -4.132 47 HB3 PHE 6 HB3 PHE 6 16.472 4.906 -3.068 48 HD1 PHE 6 HD2 PHE 6 18.492 3.480 -1.740 49 HD2 PHE 6 HD1 PHE 6 17.051 2.898 -5.702 50 HE1 PHE 6 HE2 PHE 6 20.652 2.490 -2.376 51 HE2 PHE 6 HE1 PHE 6 19.209 1.906 -6.345 52 HZ PHE 6 HZ PHE 6 21.013 1.702 -4.682 53 H GLY 7 H GLY 7 13.424 2.004 -2.148 54 HA2 GLY 7 HA2 GLY 7 11.636 4.104 -2.487 55 HA3 GLY 7 HA3 GLY 7 11.229 2.554 -1.766 56 H GLY 8 H GLY 8 11.964 2.328 0.586 57 HA2 GLY 8 HA2 GLY 8 12.447 3.473 2.663 58 HA3 GLY 8 HA3 GLY 8 11.689 4.908 1.988 59 H CYS 9 H CYS 9 11.260 2.837 4.339 60 HA CYS 9 HA CYS 9 8.400 3.209 4.395 61 HB2 CYS 9 HB2 CYS 9 8.057 0.707 4.882 62 HB3 CYS 9 HB3 CYS 9 8.278 1.188 3.202 63 H SER 10 H SER 10 7.558 1.885 6.458 64 HA SER 10 HA SER 10 9.437 2.558 8.623 65 HB2 SER 10 HB2 SER 10 7.652 3.242 9.948 66 HB3 SER 10 HB3 SER 10 7.116 3.741 8.344 67 HG SER 10 HG SER 10 6.008 1.953 10.041 68 H SER 11 H SER 11 7.536 0.061 7.195 69 HA SER 11 HA SER 11 8.481 -1.804 9.262 70 HB2 SER 11 HB2 SER 11 6.087 -1.348 9.651 71 HB3 SER 11 HB3 SER 11 5.729 -1.848 7.998 72 HG SER 11 HG SER 11 5.445 -3.697 9.021 73 H THR 12 H THR 12 8.462 -4.087 8.511 74 HA THR 12 HA THR 12 9.762 -4.291 5.987 75 HB THR 12 HB THR 12 9.919 -6.676 6.431 76 HG1 THR 12 HG1 THR 12 8.058 -7.322 7.335 77 HG21 THR 12 HG21 THR 12 10.511 -6.168 9.118 78 HG22 THR 12 HG22 THR 12 10.751 -4.630 8.288 79 HG23 THR 12 HG23 THR 12 11.615 -6.069 7.747 80 H SER 13 H SER 13 6.493 -4.623 7.040 81 HA SER 13 HA SER 13 5.458 -6.349 5.108 82 HB2 SER 13 HB2 SER 13 3.307 -5.480 5.667 83 HB3 SER 13 HB3 SER 13 4.265 -5.416 7.147 84 HG SER 13 HG SER 13 3.345 -3.444 7.004 85 H ASP 14 H ASP 14 6.574 -3.100 4.841 86 HA ASP 14 HA ASP 14 5.144 -2.402 2.474 87 HB2 ASP 14 HB2 ASP 14 7.495 -1.258 3.942 88 HB3 ASP 14 HB3 ASP 14 7.102 -0.672 2.328 89 H CYS 15 H CYS 15 8.329 -3.776 3.134 90 HA CYS 15 HA CYS 15 9.270 -3.696 0.465 91 HB2 CYS 15 HB2 CYS 15 10.070 -5.484 2.771 92 HB3 CYS 15 HB3 CYS 15 10.954 -5.347 1.254 93 H CYS 16 H CYS 16 8.493 -4.779 -1.208 94 HA CYS 16 HA CYS 16 7.337 -7.451 -0.744 95 HB2 CYS 16 HB2 CYS 16 6.559 -5.442 -2.870 96 HB3 CYS 16 HB3 CYS 16 5.851 -7.040 -2.653 97 H LYS 17 H LYS 17 9.802 -5.711 -2.209 98 HA LYS 17 HA LYS 17 10.181 -7.616 -4.390 99 HB2 LYS 17 HB2 LYS 17 11.403 -4.973 -3.672 100 HB3 LYS 17 HB3 LYS 17 12.239 -6.053 -4.780 101 HG2 LYS 17 HG2 LYS 17 9.383 -5.266 -5.228 102 HG3 LYS 17 HG3 LYS 17 10.721 -4.248 -5.766 103 HD2 LYS 17 HD2 LYS 17 11.583 -6.022 -7.146 104 HD3 LYS 17 HD3 LYS 17 10.385 -7.152 -6.510 105 HE2 LYS 17 HE2 LYS 17 8.636 -6.134 -7.655 106 HE3 LYS 17 HE3 LYS 17 9.524 -4.625 -7.866 107 HZ1 LYS 17 HZ1 LYS 17 9.987 -5.372 -9.892 108 HZ2 LYS 17 HZ2 LYS 17 9.456 -6.939 -9.543 109 HZ3 LYS 17 HZ3 LYS 17 11.040 -6.480 -9.167 110 H HIS 18 H HIS 18 10.427 -8.648 -1.772 111 HA HIS 18 HA HIS 18 11.778 -10.026 -0.566 112 HB2 HIS 18 HB2 HIS 18 12.709 -10.204 -3.215 113 HB3 HIS 18 HB3 HIS 18 14.148 -10.038 -2.213 114 HD1 HIS 18 HD1 HIS 18 15.053 -12.215 -1.509 115 HD2 HIS 18 HD2 HIS 18 10.926 -12.349 -1.965 116 HE1 HIS 18 HE1 HIS 18 14.396 -14.586 -0.990 117 H LEU 19 H LEU 19 11.933 -7.095 -0.322 118 HA LEU 19 HA LEU 19 14.707 -6.740 0.569 119 HB2 LEU 19 HB2 LEU 19 12.504 -4.721 0.177 120 HB3 LEU 19 HB3 LEU 19 14.142 -4.348 0.708 121 HG LEU 19 HG LEU 19 13.883 -5.769 -1.874 122 HD11 LEU 19 HD11 LEU 19 13.278 -2.828 -1.696 123 HD12 LEU 19 HD12 LEU 19 12.031 -4.065 -1.851 124 HD13 LEU 19 HD13 LEU 19 13.236 -3.864 -3.123 125 HD21 LEU 19 HD21 LEU 19 15.498 -3.347 -1.109 126 HD22 LEU 19 HD22 LEU 19 15.770 -4.457 -2.453 127 HD23 LEU 19 HD23 LEU 19 16.025 -5.001 -0.794 128 H SER 20 H SER 20 15.009 -5.509 2.618 129 HA SER 20 HA SER 20 12.957 -6.247 4.601 130 HB2 SER 20 HB2 SER 20 14.711 -6.717 6.205 131 HB3 SER 20 HB3 SER 20 15.018 -7.650 4.740 132 HG SER 20 HG SER 20 16.420 -5.497 5.813 133 H CYS 21 H CYS 21 12.044 -4.526 5.483 134 HA CYS 21 HA CYS 21 13.232 -1.916 5.275 135 HB2 CYS 21 HB2 CYS 21 10.687 -2.680 5.263 136 HB3 CYS 21 HB3 CYS 21 10.847 -2.414 6.996 137 H ARG 22 H ARG 22 15.010 -1.682 6.535 138 HA ARG 22 HA ARG 22 15.117 -2.667 9.232 139 HB2 ARG 22 HB2 ARG 22 16.988 -0.800 7.763 140 HB3 ARG 22 HB3 ARG 22 17.316 -1.569 9.310 141 HG2 ARG 22 HG2 ARG 22 17.094 -3.780 8.163 142 HG3 ARG 22 HG3 ARG 22 17.008 -2.903 6.634 143 HD2 ARG 22 HD2 ARG 22 19.259 -3.472 6.812 144 HD3 ARG 22 HD3 ARG 22 19.207 -1.803 7.379 145 HE ARG 22 HE ARG 22 18.911 -3.420 9.610 146 HH11 ARG 22 HH11 ARG 22 21.307 -2.816 7.157 147 HH12 ARG 22 HH12 ARG 22 22.647 -3.197 8.187 148 HH21 ARG 22 HH21 ARG 22 20.667 -3.924 10.976 149 HH22 ARG 22 HH22 ARG 22 22.282 -3.828 10.359 150 H SER 23 H SER 23 14.912 -1.548 11.119 151 HA SER 23 HA SER 23 13.394 0.883 11.034 152 HB2 SER 23 HB2 SER 23 12.787 -0.584 12.779 153 HB3 SER 23 HB3 SER 23 14.464 -0.841 13.263 154 HG SER 23 HG SER 23 14.386 0.905 14.441 155 H ASP 24 H ASP 24 16.702 0.141 11.092 156 HA ASP 24 HA ASP 24 17.727 2.294 12.590 157 HB2 ASP 24 HB2 ASP 24 18.903 0.166 11.610 158 HB3 ASP 24 HB3 ASP 24 19.190 1.201 10.214 159 H TRP 25 H TRP 25 17.510 1.938 9.045 160 HA TRP 25 HA TRP 25 17.686 4.856 8.807 161 HB2 TRP 25 HB2 TRP 25 18.316 2.573 6.989 162 HB3 TRP 25 HB3 TRP 25 17.852 4.111 6.268 163 HD1 TRP 25 HD1 TRP 25 20.381 2.990 9.009 164 HE1 TRP 25 HE1 TRP 25 22.556 4.319 8.655 165 HE3 TRP 25 HE3 TRP 25 18.952 5.837 5.010 166 HZ2 TRP 25 HZ2 TRP 25 23.537 6.311 6.912 167 HZ3 TRP 25 HZ3 TRP 25 20.569 7.430 4.059 168 HH2 TRP 25 HH2 TRP 25 22.813 7.661 4.992 169 H LYS 26 H LYS 26 15.427 2.367 8.787 170 HA LYS 26 HA LYS 26 13.199 2.287 8.334 171 HB2 LYS 26 HB2 LYS 26 13.342 5.251 7.794 172 HB3 LYS 26 HB3 LYS 26 11.942 4.317 8.305 173 HG2 LYS 26 HG2 LYS 26 13.117 3.857 10.451 174 HG3 LYS 26 HG3 LYS 26 14.390 4.964 9.932 175 HD2 LYS 26 HD2 LYS 26 12.991 6.820 10.045 176 HD3 LYS 26 HD3 LYS 26 11.525 5.840 9.962 177 HE2 LYS 26 HE2 LYS 26 11.636 6.544 12.192 178 HE3 LYS 26 HE3 LYS 26 12.245 4.890 12.220 179 HZ1 LYS 26 HZ1 LYS 26 14.492 6.301 11.830 180 HZ2 LYS 26 HZ2 LYS 26 13.935 5.798 13.345 181 HZ3 LYS 26 HZ3 LYS 26 13.610 7.368 12.803 182 H TYR 27 H TYR 27 14.784 1.507 6.291 183 HA TYR 27 HA TYR 27 13.141 2.156 3.992 184 HB2 TYR 27 HB2 TYR 27 14.816 2.977 2.589 185 HB3 TYR 27 HB3 TYR 27 15.161 3.776 4.119 186 HD1 TYR 27 HD2 TYR 27 16.641 1.907 5.672 187 HD2 TYR 27 HD1 TYR 27 16.776 2.525 1.464 188 HE1 TYR 27 HE2 TYR 27 18.935 1.021 5.621 189 HE2 TYR 27 HE1 TYR 27 19.070 1.639 1.402 190 HH TYR 27 HH TYR 27 20.555 0.187 4.220 191 H CYS 28 H CYS 28 13.241 0.599 2.339 192 HA CYS 28 HA CYS 28 13.617 -2.035 3.138 193 HB2 CYS 28 HB2 CYS 28 13.300 -0.698 0.479 194 HB3 CYS 28 HB3 CYS 28 13.711 -2.410 0.535 195 H ALA 29 H ALA 29 15.158 -3.627 2.493 196 HA ALA 29 HA ALA 29 17.750 -2.614 1.572 197 HB1 ALA 29 HB1 ALA 29 17.222 -4.024 4.160 198 HB2 ALA 29 HB2 ALA 29 18.791 -4.149 3.363 199 HB3 ALA 29 HB3 ALA 29 18.175 -2.572 3.855 200 H TRP 30 H TRP 30 18.964 -4.068 0.407 201 HA TRP 30 HA TRP 30 17.535 -6.324 -0.666 202 HB2 TRP 30 HB2 TRP 30 19.993 -4.824 -1.325 203 HB3 TRP 30 HB3 TRP 30 20.016 -6.533 -1.750 204 HD1 TRP 30 HD1 TRP 30 19.472 -3.535 -3.471 205 HE1 TRP 30 HE1 TRP 30 17.742 -3.732 -5.367 206 HE3 TRP 30 HE3 TRP 30 17.212 -7.896 -2.055 207 HZ2 TRP 30 HZ2 TRP 30 15.690 -5.503 -6.157 208 HZ3 TRP 30 HZ3 TRP 30 15.373 -8.774 -3.435 209 HH2 TRP 30 HH2 TRP 30 14.629 -7.600 -5.443 210 H ASP 31 H ASP 31 18.679 -8.456 -0.924 211 HA ASP 31 HA ASP 31 19.482 -10.362 0.024 212 HB2 ASP 31 HB2 ASP 31 21.379 -8.620 1.591 213 HB3 ASP 31 HB3 ASP 31 21.624 -10.275 1.042 214 H GLY 32 H GLY 32 17.306 -8.911 1.335 215 HA2 GLY 32 HA2 GLY 32 16.059 -9.025 3.258 216 HA3 GLY 32 HA3 GLY 32 16.952 -10.501 3.593 217 H THR 33 H THR 33 16.540 -9.648 5.837 218 HA THR 33 HA THR 33 17.820 -7.357 6.826 219 HB THR 33 HB THR 33 17.462 -9.835 8.490 220 HG1 THR 33 HG1 THR 33 15.413 -7.997 7.740 221 HG21 THR 33 HG21 THR 33 16.497 -7.455 9.695 222 HG22 THR 33 HG22 THR 33 18.074 -7.098 8.991 223 HG23 THR 33 HG23 THR 33 17.904 -8.417 10.148 224 H PHE 34 H PHE 34 19.791 -7.028 7.832 225 HA PHE 34 HA PHE 34 21.839 -9.045 7.219 226 HB2 PHE 34 HB2 PHE 34 21.855 -6.064 7.346 227 HB3 PHE 34 HB3 PHE 34 23.341 -6.920 7.744 228 HD1 PHE 34 HD2 PHE 34 24.261 -8.563 6.036 229 HD2 PHE 34 HD1 PHE 34 21.252 -5.692 5.130 230 HE1 PHE 34 HE2 PHE 34 24.780 -8.780 3.640 231 HE2 PHE 34 HE1 PHE 34 21.765 -5.905 2.733 232 HZ PHE 34 HZ PHE 34 23.531 -7.451 1.985 233 H SER 35 H SER 35 22.758 -10.123 8.829 234 HA SER 35 HA SER 35 22.239 -9.272 11.574 235 HB2 SER 35 HB2 SER 35 21.694 -11.554 11.237 236 HB3 SER 35 HB3 SER 35 23.189 -11.863 10.355 237 HG SER 35 HG SER 35 23.911 -12.480 12.226 Start of MODEL 19 1 H1 GLU 1 H GLU 1 0.834 -0.898 -2.235 2 HA GLU 1 HA GLU 1 2.522 1.321 -1.884 3 HB2 GLU 1 HB2 GLU 1 1.375 -0.644 0.100 4 HB3 GLU 1 HB3 GLU 1 2.279 0.786 0.574 5 HG2 GLU 1 HG2 GLU 1 0.632 2.237 -0.249 6 HG3 GLU 1 HG3 GLU 1 -0.154 0.955 -1.168 7 H CYS 2 H CYS 2 3.823 -0.994 -3.150 8 HA CYS 2 HA CYS 2 5.915 -1.612 -1.184 9 HB2 CYS 2 HB2 CYS 2 5.528 -2.892 -3.892 10 HB3 CYS 2 HB3 CYS 2 6.520 -3.476 -2.559 11 H ARG 3 H ARG 3 8.046 -1.119 -1.547 12 HA ARG 3 HA ARG 3 8.691 0.369 -3.998 13 HB2 ARG 3 HB2 ARG 3 9.670 1.197 -1.268 14 HB3 ARG 3 HB3 ARG 3 9.836 2.074 -2.783 15 HG2 ARG 3 HG2 ARG 3 7.085 1.694 -2.417 16 HG3 ARG 3 HG3 ARG 3 7.729 2.173 -0.846 17 HD2 ARG 3 HD2 ARG 3 8.809 4.111 -1.887 18 HD3 ARG 3 HD3 ARG 3 8.154 3.631 -3.452 19 HE ARG 3 HE ARG 3 6.167 4.011 -1.401 20 HH11 ARG 3 HH11 ARG 3 8.038 5.522 -3.918 21 HH12 ARG 3 HH12 ARG 3 6.918 6.823 -4.149 22 HH21 ARG 3 HH21 ARG 3 4.684 5.719 -1.696 23 HH22 ARG 3 HH22 ARG 3 5.011 6.935 -2.884 24 H TYR 4 H TYR 4 11.168 0.735 -4.091 25 HA TYR 4 HA TYR 4 12.391 -1.879 -3.767 26 HB2 TYR 4 HB2 TYR 4 14.337 -0.549 -4.951 27 HB3 TYR 4 HB3 TYR 4 12.928 -1.083 -5.861 28 HD1 TYR 4 HD2 TYR 4 14.537 1.832 -4.268 29 HD2 TYR 4 HD1 TYR 4 11.423 0.487 -6.837 30 HE1 TYR 4 HE2 TYR 4 14.116 4.153 -4.963 31 HE2 TYR 4 HE1 TYR 4 10.994 2.804 -7.540 32 HH TYR 4 HH TYR 4 13.063 5.258 -7.144 33 H LEU 5 H LEU 5 14.978 -1.502 -3.376 34 HA LEU 5 HA LEU 5 15.298 -1.199 -0.652 35 HB2 LEU 5 HB2 LEU 5 16.886 -2.237 -2.333 36 HB3 LEU 5 HB3 LEU 5 17.461 -0.602 -2.655 37 HG LEU 5 HG LEU 5 17.511 -1.704 0.130 38 HD11 LEU 5 HD11 LEU 5 18.622 -3.400 -1.160 39 HD12 LEU 5 HD12 LEU 5 19.834 -2.444 -0.308 40 HD13 LEU 5 HD13 LEU 5 19.557 -2.184 -2.030 41 HD21 LEU 5 HD21 LEU 5 19.533 -0.185 0.182 42 HD22 LEU 5 HD22 LEU 5 17.968 0.610 0.013 43 HD23 LEU 5 HD23 LEU 5 19.012 0.410 -1.395 44 H PHE 6 H PHE 6 15.988 1.186 -3.199 45 HA PHE 6 HA PHE 6 16.657 3.235 -1.299 46 HB2 PHE 6 HB2 PHE 6 16.470 3.041 -4.266 47 HB3 PHE 6 HB3 PHE 6 16.367 4.643 -3.542 48 HD1 PHE 6 HD1 PHE 6 18.469 1.571 -3.490 49 HD2 PHE 6 HD2 PHE 6 18.305 5.805 -3.085 50 HE1 PHE 6 HE1 PHE 6 20.923 1.647 -3.324 51 HE2 PHE 6 HE2 PHE 6 20.758 5.888 -2.919 52 HZ PHE 6 HZ PHE 6 22.071 3.807 -3.040 53 H GLY 7 H GLY 7 13.780 1.901 -2.237 54 HA2 GLY 7 HA2 GLY 7 12.061 4.050 -2.670 55 HA3 GLY 7 HA3 GLY 7 11.591 2.523 -1.939 56 H GLY 8 H GLY 8 12.261 2.308 0.434 57 HA2 GLY 8 HA2 GLY 8 12.729 3.473 2.505 58 HA3 GLY 8 HA3 GLY 8 12.018 4.914 1.794 59 H CYS 9 H CYS 9 11.486 2.942 4.184 60 HA CYS 9 HA CYS 9 8.630 3.344 4.140 61 HB2 CYS 9 HB2 CYS 9 8.246 0.867 4.714 62 HB3 CYS 9 HB3 CYS 9 8.521 1.278 3.025 63 H SER 10 H SER 10 7.713 2.111 6.228 64 HA SER 10 HA SER 10 9.531 2.860 8.419 65 HB2 SER 10 HB2 SER 10 7.650 3.475 9.717 66 HB3 SER 10 HB3 SER 10 7.314 4.109 8.106 67 HG SER 10 HG SER 10 5.687 2.779 7.924 68 H SER 11 H SER 11 7.655 0.312 7.041 69 HA SER 11 HA SER 11 8.570 -1.481 9.181 70 HB2 SER 11 HB2 SER 11 5.843 -1.730 7.906 71 HB3 SER 11 HB3 SER 11 6.465 -2.601 9.307 72 HG SER 11 HG SER 11 5.030 -0.801 9.784 73 H THR 12 H THR 12 8.493 -3.796 8.511 74 HA THR 12 HA THR 12 9.794 -4.113 5.999 75 HB THR 12 HB THR 12 9.906 -6.480 6.523 76 HG1 THR 12 HG1 THR 12 8.280 -5.953 8.798 77 HG21 THR 12 HG21 THR 12 11.504 -5.071 7.671 78 HG22 THR 12 HG22 THR 12 10.983 -6.362 8.755 79 HG23 THR 12 HG23 THR 12 10.336 -4.732 8.948 80 H SER 13 H SER 13 6.516 -4.372 7.066 81 HA SER 13 HA SER 13 5.466 -6.119 5.156 82 HB2 SER 13 HB2 SER 13 4.354 -3.937 6.856 83 HB3 SER 13 HB3 SER 13 3.361 -4.522 5.522 84 HG SER 13 HG SER 13 2.997 -6.289 6.596 85 H ASP 14 H ASP 14 6.605 -2.885 4.855 86 HA ASP 14 HA ASP 14 5.161 -2.185 2.498 87 HB2 ASP 14 HB2 ASP 14 6.536 -0.720 4.251 88 HB3 ASP 14 HB3 ASP 14 7.816 -0.958 3.064 89 H CYS 15 H CYS 15 8.322 -3.617 3.134 90 HA CYS 15 HA CYS 15 9.224 -3.570 0.444 91 HB2 CYS 15 HB2 CYS 15 10.064 -5.348 2.744 92 HB3 CYS 15 HB3 CYS 15 10.931 -5.182 1.220 93 H CYS 16 H CYS 16 8.464 -4.705 -1.202 94 HA CYS 16 HA CYS 16 7.282 -7.352 -0.664 95 HB2 CYS 16 HB2 CYS 16 6.497 -5.448 -2.879 96 HB3 CYS 16 HB3 CYS 16 5.733 -6.987 -2.492 97 H LYS 17 H LYS 17 9.778 -5.700 -2.135 98 HA LYS 17 HA LYS 17 10.102 -7.609 -4.322 99 HB2 LYS 17 HB2 LYS 17 10.645 -4.926 -4.140 100 HB3 LYS 17 HB3 LYS 17 12.234 -5.638 -3.888 101 HG2 LYS 17 HG2 LYS 17 12.238 -5.416 -6.156 102 HG3 LYS 17 HG3 LYS 17 11.584 -7.049 -6.005 103 HD2 LYS 17 HD2 LYS 17 9.283 -5.946 -6.034 104 HD3 LYS 17 HD3 LYS 17 10.115 -4.489 -6.582 105 HE2 LYS 17 HE2 LYS 17 9.364 -5.597 -8.531 106 HE3 LYS 17 HE3 LYS 17 11.098 -5.896 -8.432 107 HZ1 LYS 17 HZ1 LYS 17 10.792 -8.086 -8.029 108 HZ2 LYS 17 HZ2 LYS 17 9.352 -7.816 -8.875 109 HZ3 LYS 17 HZ3 LYS 17 9.344 -7.863 -7.184 110 H HIS 18 H HIS 18 10.306 -8.650 -1.700 111 HA HIS 18 HA HIS 18 11.608 -10.074 -0.494 112 HB2 HIS 18 HB2 HIS 18 13.660 -9.846 -2.695 113 HB3 HIS 18 HB3 HIS 18 13.429 -11.181 -1.570 114 HD1 HIS 18 HD1 HIS 18 12.749 -10.284 -4.941 115 HD2 HIS 18 HD2 HIS 18 10.683 -12.382 -2.010 116 HE1 HIS 18 HE1 HIS 18 11.035 -11.649 -6.174 117 H LEU 19 H LEU 19 11.871 -7.140 -0.270 118 HA LEU 19 HA LEU 19 14.643 -6.912 0.675 119 HB2 LEU 19 HB2 LEU 19 12.600 -4.742 0.230 120 HB3 LEU 19 HB3 LEU 19 14.291 -4.509 0.670 121 HG LEU 19 HG LEU 19 13.798 -5.992 -1.836 122 HD11 LEU 19 HD11 LEU 19 13.383 -3.013 -1.743 123 HD12 LEU 19 HD12 LEU 19 12.065 -4.181 -1.827 124 HD13 LEU 19 HD13 LEU 19 13.241 -4.083 -3.137 125 HD21 LEU 19 HD21 LEU 19 15.604 -3.655 -1.261 126 HD22 LEU 19 HD22 LEU 19 15.743 -4.848 -2.552 127 HD23 LEU 19 HD23 LEU 19 16.035 -5.322 -0.878 128 H SER 20 H SER 20 14.966 -5.666 2.701 129 HA SER 20 HA SER 20 12.803 -6.200 4.631 130 HB2 SER 20 HB2 SER 20 15.754 -6.695 4.814 131 HB3 SER 20 HB3 SER 20 14.839 -6.352 6.282 132 HG SER 20 HG SER 20 13.379 -8.099 5.215 133 H CYS 21 H CYS 21 11.984 -4.400 5.443 134 HA CYS 21 HA CYS 21 13.285 -1.869 5.162 135 HB2 CYS 21 HB2 CYS 21 10.717 -2.508 5.256 136 HB3 CYS 21 HB3 CYS 21 10.944 -2.235 6.981 137 H ARG 22 H ARG 22 15.052 -1.505 6.364 138 HA ARG 22 HA ARG 22 15.408 -2.544 8.996 139 HB2 ARG 22 HB2 ARG 22 16.939 -0.353 7.582 140 HB3 ARG 22 HB3 ARG 22 17.460 -1.213 9.024 141 HG2 ARG 22 HG2 ARG 22 16.816 -2.863 6.660 142 HG3 ARG 22 HG3 ARG 22 18.266 -1.860 6.566 143 HD2 ARG 22 HD2 ARG 22 17.783 -3.533 8.991 144 HD3 ARG 22 HD3 ARG 22 18.393 -4.292 7.521 145 HE ARG 22 HE ARG 22 19.940 -2.018 8.103 146 HH11 ARG 22 HH11 ARG 22 19.321 -5.230 9.295 147 HH12 ARG 22 HH12 ARG 22 20.895 -5.415 9.994 148 HH21 ARG 22 HH21 ARG 22 22.016 -2.249 9.020 149 HH22 ARG 22 HH22 ARG 22 22.427 -3.718 9.838 150 H SER 23 H SER 23 14.963 -1.662 10.927 151 HA SER 23 HA SER 23 13.296 0.669 11.034 152 HB2 SER 23 HB2 SER 23 12.755 -0.014 13.144 153 HB3 SER 23 HB3 SER 23 13.442 -1.535 12.575 154 HG SER 23 HG SER 23 14.507 0.362 14.331 155 H ASP 24 H ASP 24 16.576 0.283 10.844 156 HA ASP 24 HA ASP 24 17.358 2.385 12.660 157 HB2 ASP 24 HB2 ASP 24 18.791 0.381 12.016 158 HB3 ASP 24 HB3 ASP 24 19.042 1.179 10.466 159 H TRP 25 H TRP 25 17.563 1.996 9.117 160 HA TRP 25 HA TRP 25 17.699 4.905 8.847 161 HB2 TRP 25 HB2 TRP 25 18.490 2.592 7.162 162 HB3 TRP 25 HB3 TRP 25 17.955 4.041 6.315 163 HD1 TRP 25 HD1 TRP 25 20.351 3.456 9.330 164 HE1 TRP 25 HE1 TRP 25 22.483 4.837 8.912 165 HE3 TRP 25 HE3 TRP 25 19.113 5.514 4.817 166 HZ2 TRP 25 HZ2 TRP 25 23.504 6.570 6.932 167 HZ3 TRP 25 HZ3 TRP 25 20.723 7.023 3.728 168 HH2 TRP 25 HH2 TRP 25 22.872 7.539 4.765 169 H LYS 26 H LYS 26 15.424 2.439 8.757 170 HA LYS 26 HA LYS 26 13.225 2.363 8.182 171 HB2 LYS 26 HB2 LYS 26 13.417 5.313 7.581 172 HB3 LYS 26 HB3 LYS 26 11.988 4.399 8.046 173 HG2 LYS 26 HG2 LYS 26 13.333 3.926 10.224 174 HG3 LYS 26 HG3 LYS 26 14.264 5.342 9.728 175 HD2 LYS 26 HD2 LYS 26 12.640 6.336 11.009 176 HD3 LYS 26 HD3 LYS 26 11.875 6.399 9.420 177 HE2 LYS 26 HE2 LYS 26 10.688 4.293 9.960 178 HE3 LYS 26 HE3 LYS 26 11.390 4.346 11.576 179 HZ1 LYS 26 HZ1 LYS 26 9.656 5.571 12.165 180 HZ2 LYS 26 HZ2 LYS 26 9.117 5.713 10.568 181 HZ3 LYS 26 HZ3 LYS 26 10.241 6.817 11.182 182 H TYR 27 H TYR 27 14.849 1.478 6.253 183 HA TYR 27 HA TYR 27 13.374 2.143 3.848 184 HB2 TYR 27 HB2 TYR 27 15.178 2.823 2.519 185 HB3 TYR 27 HB3 TYR 27 15.443 3.676 4.036 186 HD1 TYR 27 HD2 TYR 27 16.768 1.906 5.779 187 HD2 TYR 27 HD1 TYR 27 17.160 2.172 1.551 188 HE1 TYR 27 HE2 TYR 27 19.024 0.936 5.933 189 HE2 TYR 27 HE1 TYR 27 19.416 1.202 1.693 190 HH TYR 27 HH TYR 27 21.266 1.120 3.631 191 H CYS 28 H CYS 28 13.468 0.534 2.254 192 HA CYS 28 HA CYS 28 13.694 -2.091 3.144 193 HB2 CYS 28 HB2 CYS 28 13.570 -0.842 0.420 194 HB3 CYS 28 HB3 CYS 28 13.828 -2.576 0.581 195 H ALA 29 H ALA 29 15.174 -3.778 2.509 196 HA ALA 29 HA ALA 29 17.845 -2.889 1.702 197 HB1 ALA 29 HB1 ALA 29 17.320 -4.550 4.164 198 HB2 ALA 29 HB2 ALA 29 18.907 -4.140 3.510 199 HB3 ALA 29 HB3 ALA 29 17.859 -2.871 4.143 200 H TRP 30 H TRP 30 19.030 -4.401 0.586 201 HA TRP 30 HA TRP 30 17.547 -6.584 -0.547 202 HB2 TRP 30 HB2 TRP 30 20.126 -5.237 -1.063 203 HB3 TRP 30 HB3 TRP 30 20.068 -6.946 -1.486 204 HD1 TRP 30 HD1 TRP 30 19.808 -3.926 -3.235 205 HE1 TRP 30 HE1 TRP 30 18.181 -4.025 -5.227 206 HE3 TRP 30 HE3 TRP 30 17.209 -8.138 -1.953 207 HZ2 TRP 30 HZ2 TRP 30 16.075 -5.670 -6.135 208 HZ3 TRP 30 HZ3 TRP 30 15.403 -8.907 -3.437 209 HH2 TRP 30 HH2 TRP 30 14.849 -7.697 -5.484 210 H ASP 31 H ASP 31 18.572 -8.782 -0.733 211 HA ASP 31 HA ASP 31 19.133 -10.733 0.299 212 HB2 ASP 31 HB2 ASP 31 21.365 -9.345 0.170 213 HB3 ASP 31 HB3 ASP 31 21.192 -9.289 1.922 214 H GLY 32 H GLY 32 17.126 -9.018 1.577 215 HA2 GLY 32 HA2 GLY 32 15.851 -9.028 3.486 216 HA3 GLY 32 HA3 GLY 32 16.701 -10.502 3.924 217 H THR 33 H THR 33 16.778 -9.941 6.109 218 HA THR 33 HA THR 33 17.826 -7.473 7.046 219 HB THR 33 HB THR 33 17.881 -8.507 9.249 220 HG1 THR 33 HG1 THR 33 17.115 -10.819 9.253 221 HG21 THR 33 HG21 THR 33 15.404 -9.732 8.224 222 HG22 THR 33 HG22 THR 33 15.648 -8.039 7.792 223 HG23 THR 33 HG23 THR 33 15.633 -8.524 9.488 224 H PHE 34 H PHE 34 19.860 -6.856 7.502 225 HA PHE 34 HA PHE 34 22.021 -8.615 6.677 226 HB2 PHE 34 HB2 PHE 34 21.894 -5.693 7.413 227 HB3 PHE 34 HB3 PHE 34 23.420 -6.526 7.133 228 HD1 PHE 34 HD2 PHE 34 23.156 -8.107 4.859 229 HD2 PHE 34 HD1 PHE 34 21.269 -4.376 5.655 230 HE1 PHE 34 HE2 PHE 34 22.930 -7.709 2.441 231 HE2 PHE 34 HE1 PHE 34 21.039 -3.973 3.239 232 HZ PHE 34 HZ PHE 34 21.870 -5.640 1.629 233 H SER 35 H SER 35 23.948 -8.880 7.996 234 HA SER 35 HA SER 35 23.449 -8.673 10.887 235 HB2 SER 35 HB2 SER 35 22.986 -10.972 10.344 236 HB3 SER 35 HB3 SER 35 24.461 -11.098 9.387 237 HG SER 35 HG SER 35 24.334 -10.640 12.187 Start of MODEL 20 1 H1 GLU 1 H GLU 1 0.538 -1.350 -1.134 2 HA GLU 1 HA GLU 1 1.996 0.477 -2.851 3 HB2 GLU 1 HB2 GLU 1 0.998 0.523 -0.046 4 HB3 GLU 1 HB3 GLU 1 2.366 1.552 -0.445 5 HG2 GLU 1 HG2 GLU 1 0.642 2.987 -0.836 6 HG3 GLU 1 HG3 GLU 1 0.836 2.284 -2.440 7 H CYS 2 H CYS 2 3.573 -1.314 -3.328 8 HA CYS 2 HA CYS 2 5.570 -1.659 -1.206 9 HB2 CYS 2 HB2 CYS 2 5.485 -3.060 -3.880 10 HB3 CYS 2 HB3 CYS 2 6.417 -3.515 -2.458 11 H ARG 3 H ARG 3 7.773 -1.229 -1.576 12 HA ARG 3 HA ARG 3 8.379 0.412 -3.939 13 HB2 ARG 3 HB2 ARG 3 9.420 1.080 -1.191 14 HB3 ARG 3 HB3 ARG 3 9.486 2.065 -2.647 15 HG2 ARG 3 HG2 ARG 3 6.774 1.595 -2.215 16 HG3 ARG 3 HG3 ARG 3 7.451 1.921 -0.619 17 HD2 ARG 3 HD2 ARG 3 8.496 3.971 -1.528 18 HD3 ARG 3 HD3 ARG 3 7.708 3.655 -3.073 19 HE ARG 3 HE ARG 3 5.881 3.769 -0.861 20 HH11 ARG 3 HH11 ARG 3 7.615 5.640 -3.231 21 HH12 ARG 3 HH12 ARG 3 6.499 6.964 -3.193 22 HH21 ARG 3 HH21 ARG 3 4.405 5.507 -0.803 23 HH22 ARG 3 HH22 ARG 3 4.674 6.888 -1.811 24 H TYR 4 H TYR 4 10.853 0.809 -4.032 25 HA TYR 4 HA TYR 4 12.106 -1.810 -3.857 26 HB2 TYR 4 HB2 TYR 4 14.004 -0.414 -5.043 27 HB3 TYR 4 HB3 TYR 4 12.579 -0.934 -5.935 28 HD1 TYR 4 HD2 TYR 4 14.199 1.943 -4.286 29 HD2 TYR 4 HD1 TYR 4 11.026 0.651 -6.809 30 HE1 TYR 4 HE2 TYR 4 13.732 4.282 -4.887 31 HE2 TYR 4 HE1 TYR 4 10.550 2.986 -7.417 32 HH TYR 4 HH TYR 4 12.628 5.470 -6.934 33 H LEU 5 H LEU 5 14.699 -1.411 -3.521 34 HA LEU 5 HA LEU 5 15.089 -1.207 -0.798 35 HB2 LEU 5 HB2 LEU 5 16.657 -2.176 -2.499 36 HB3 LEU 5 HB3 LEU 5 17.156 -0.530 -2.882 37 HG LEU 5 HG LEU 5 17.385 -1.565 -0.081 38 HD11 LEU 5 HD11 LEU 5 19.702 -2.245 -0.618 39 HD12 LEU 5 HD12 LEU 5 19.338 -2.027 -2.329 40 HD13 LEU 5 HD13 LEU 5 18.483 -3.254 -1.396 41 HD21 LEU 5 HD21 LEU 5 17.761 0.755 -0.264 42 HD22 LEU 5 HD22 LEU 5 18.724 0.564 -1.729 43 HD23 LEU 5 HD23 LEU 5 19.361 0.018 -0.176 44 H PHE 6 H PHE 6 15.674 1.290 -3.264 45 HA PHE 6 HA PHE 6 16.351 3.273 -1.297 46 HB2 PHE 6 HB2 PHE 6 16.079 3.212 -4.269 47 HB3 PHE 6 HB3 PHE 6 16.016 4.774 -3.458 48 HD1 PHE 6 HD1 PHE 6 18.107 1.889 -4.277 49 HD2 PHE 6 HD2 PHE 6 17.962 5.692 -2.371 50 HE1 PHE 6 HE1 PHE 6 20.565 1.937 -4.193 51 HE2 PHE 6 HE2 PHE 6 20.420 5.746 -2.284 52 HZ PHE 6 HZ PHE 6 21.725 3.868 -3.196 53 H GLY 7 H GLY 7 13.477 1.929 -2.237 54 HA2 GLY 7 HA2 GLY 7 11.703 4.039 -2.565 55 HA3 GLY 7 HA3 GLY 7 11.289 2.495 -1.834 56 H GLY 8 H GLY 8 12.038 2.274 0.514 57 HA2 GLY 8 HA2 GLY 8 12.543 3.425 2.582 58 HA3 GLY 8 HA3 GLY 8 11.789 4.861 1.907 59 H CYS 9 H CYS 9 11.363 2.799 4.267 60 HA CYS 9 HA CYS 9 8.507 3.192 4.344 61 HB2 CYS 9 HB2 CYS 9 8.148 0.695 4.837 62 HB3 CYS 9 HB3 CYS 9 8.364 1.169 3.155 63 H SER 10 H SER 10 7.671 1.879 6.416 64 HA SER 10 HA SER 10 9.573 2.537 8.565 65 HB2 SER 10 HB2 SER 10 7.474 3.887 8.497 66 HB3 SER 10 HB3 SER 10 6.554 2.403 8.741 67 HG SER 10 HG SER 10 8.309 3.717 10.512 68 H SER 11 H SER 11 7.633 0.060 7.157 69 HA SER 11 HA SER 11 8.567 -1.811 9.224 70 HB2 SER 11 HB2 SER 11 5.783 -1.386 8.225 71 HB3 SER 11 HB3 SER 11 6.286 -3.026 8.632 72 HG SER 11 HG SER 11 6.921 -2.168 10.705 73 H THR 12 H THR 12 8.526 -4.094 8.480 74 HA THR 12 HA THR 12 9.814 -4.317 5.950 75 HB THR 12 HB THR 12 9.918 -6.718 6.400 76 HG1 THR 12 HG1 THR 12 8.520 -7.629 7.701 77 HG21 THR 12 HG21 THR 12 10.718 -6.339 8.977 78 HG22 THR 12 HG22 THR 12 10.746 -4.689 8.356 79 HG23 THR 12 HG23 THR 12 11.689 -5.947 7.559 80 H SER 13 H SER 13 6.547 -4.621 7.019 81 HA SER 13 HA SER 13 5.490 -6.343 5.097 82 HB2 SER 13 HB2 SER 13 4.148 -5.669 6.983 83 HB3 SER 13 HB3 SER 13 4.234 -3.975 6.500 84 HG SER 13 HG SER 13 2.989 -6.065 5.033 85 H ASP 14 H ASP 14 6.630 -3.105 4.817 86 HA ASP 14 HA ASP 14 5.194 -2.398 2.456 87 HB2 ASP 14 HB2 ASP 14 7.599 -1.278 3.868 88 HB3 ASP 14 HB3 ASP 14 7.122 -0.666 2.287 89 H CYS 15 H CYS 15 8.369 -3.803 3.100 90 HA CYS 15 HA CYS 15 9.295 -3.738 0.425 91 HB2 CYS 15 HB2 CYS 15 10.090 -5.530 2.730 92 HB3 CYS 15 HB3 CYS 15 10.966 -5.405 1.208 93 H CYS 16 H CYS 16 8.496 -4.815 -1.241 94 HA CYS 16 HA CYS 16 7.316 -7.474 -0.766 95 HB2 CYS 16 HB2 CYS 16 6.545 -5.461 -2.889 96 HB3 CYS 16 HB3 CYS 16 5.823 -7.051 -2.667 97 H LYS 17 H LYS 17 9.788 -5.760 -2.251 98 HA LYS 17 HA LYS 17 10.135 -7.675 -4.429 99 HB2 LYS 17 HB2 LYS 17 11.386 -5.041 -3.728 100 HB3 LYS 17 HB3 LYS 17 12.201 -6.131 -4.842 101 HG2 LYS 17 HG2 LYS 17 9.356 -5.265 -5.246 102 HG3 LYS 17 HG3 LYS 17 10.728 -4.335 -5.854 103 HD2 LYS 17 HD2 LYS 17 10.362 -7.256 -6.471 104 HD3 LYS 17 HD3 LYS 17 9.647 -5.985 -7.465 105 HE2 LYS 17 HE2 LYS 17 12.571 -5.971 -6.804 106 HE3 LYS 17 HE3 LYS 17 11.948 -6.945 -8.135 107 HZ1 LYS 17 HZ1 LYS 17 10.802 -4.608 -8.662 108 HZ2 LYS 17 HZ2 LYS 17 12.310 -5.060 -9.281 109 HZ3 LYS 17 HZ3 LYS 17 12.220 -4.062 -7.917 110 H HIS 18 H HIS 18 10.391 -8.698 -1.808 111 HA HIS 18 HA HIS 18 11.739 -10.082 -0.606 112 HB2 HIS 18 HB2 HIS 18 12.624 -10.306 -3.256 113 HB3 HIS 18 HB3 HIS 18 14.088 -10.107 -2.297 114 HD1 HIS 18 HD1 HIS 18 12.680 -12.751 -3.757 115 HD2 HIS 18 HD2 HIS 18 13.259 -11.949 0.278 116 HE1 HIS 18 HE1 HIS 18 12.658 -14.992 -2.616 117 H LEU 19 H LEU 19 11.913 -7.168 -0.345 118 HA LEU 19 HA LEU 19 14.703 -6.830 0.508 119 HB2 LEU 19 HB2 LEU 19 12.515 -4.793 0.119 120 HB3 LEU 19 HB3 LEU 19 14.157 -4.430 0.646 121 HG LEU 19 HG LEU 19 13.887 -5.859 -1.930 122 HD11 LEU 19 HD11 LEU 19 13.250 -3.953 -3.185 123 HD12 LEU 19 HD12 LEU 19 13.289 -2.916 -1.760 124 HD13 LEU 19 HD13 LEU 19 12.041 -4.152 -1.916 125 HD21 LEU 19 HD21 LEU 19 16.036 -5.105 -0.868 126 HD22 LEU 19 HD22 LEU 19 15.514 -3.445 -1.160 127 HD23 LEU 19 HD23 LEU 19 15.774 -4.540 -2.518 128 H SER 20 H SER 20 15.032 -5.591 2.550 129 HA SER 20 HA SER 20 12.990 -6.305 4.552 130 HB2 SER 20 HB2 SER 20 15.984 -6.565 4.647 131 HB3 SER 20 HB3 SER 20 15.048 -6.416 6.134 132 HG SER 20 HG SER 20 14.303 -8.377 5.869 133 H CYS 21 H CYS 21 12.095 -4.576 5.436 134 HA CYS 21 HA CYS 21 13.298 -1.974 5.207 135 HB2 CYS 21 HB2 CYS 21 10.749 -2.718 5.208 136 HB3 CYS 21 HB3 CYS 21 10.918 -2.453 6.941 137 H ARG 22 H ARG 22 15.081 -1.738 6.457 138 HA ARG 22 HA ARG 22 15.194 -2.713 9.159 139 HB2 ARG 22 HB2 ARG 22 17.063 -0.943 7.576 140 HB3 ARG 22 HB3 ARG 22 17.393 -1.518 9.204 141 HG2 ARG 22 HG2 ARG 22 16.947 -3.868 8.097 142 HG3 ARG 22 HG3 ARG 22 17.398 -2.996 6.630 143 HD2 ARG 22 HD2 ARG 22 19.398 -3.925 7.459 144 HD3 ARG 22 HD3 ARG 22 19.451 -2.216 7.891 145 HE ARG 22 HE ARG 22 18.330 -3.715 10.004 146 HH11 ARG 22 HH11 ARG 22 21.367 -3.076 8.428 147 HH12 ARG 22 HH12 ARG 22 22.316 -3.384 9.844 148 HH21 ARG 22 HH21 ARG 22 19.568 -4.123 11.876 149 HH22 ARG 22 HH22 ARG 22 21.292 -3.980 11.805 150 H SER 23 H SER 23 15.009 -1.580 11.040 151 HA SER 23 HA SER 23 13.514 0.864 10.947 152 HB2 SER 23 HB2 SER 23 13.206 -0.963 12.667 153 HB3 SER 23 HB3 SER 23 14.728 -0.442 13.389 154 HG SER 23 HG SER 23 12.678 1.424 12.916 155 H ASP 24 H ASP 24 16.815 0.090 10.997 156 HA ASP 24 HA ASP 24 17.871 2.239 12.477 157 HB2 ASP 24 HB2 ASP 24 19.121 0.188 11.698 158 HB3 ASP 24 HB3 ASP 24 19.176 0.916 10.095 159 H TRP 25 H TRP 25 17.617 1.883 8.934 160 HA TRP 25 HA TRP 25 17.808 4.801 8.695 161 HB2 TRP 25 HB2 TRP 25 18.447 2.514 6.890 162 HB3 TRP 25 HB3 TRP 25 17.953 4.036 6.152 163 HD1 TRP 25 HD1 TRP 25 20.512 3.005 8.901 164 HE1 TRP 25 HE1 TRP 25 22.667 4.357 8.510 165 HE3 TRP 25 HE3 TRP 25 19.027 5.743 4.847 166 HZ2 TRP 25 HZ2 TRP 25 23.611 6.325 6.720 167 HZ3 TRP 25 HZ3 TRP 25 20.616 7.338 3.856 168 HH2 TRP 25 HH2 TRP 25 22.860 7.622 4.774 169 H LYS 26 H LYS 26 15.540 2.323 8.692 170 HA LYS 26 HA LYS 26 13.311 2.249 8.245 171 HB2 LYS 26 HB2 LYS 26 13.447 5.207 7.679 172 HB3 LYS 26 HB3 LYS 26 12.061 4.275 8.231 173 HG2 LYS 26 HG2 LYS 26 13.493 3.796 10.318 174 HG3 LYS 26 HG3 LYS 26 14.469 5.160 9.769 175 HD2 LYS 26 HD2 LYS 26 11.487 5.292 10.193 176 HD3 LYS 26 HD3 LYS 26 12.675 5.745 11.418 177 HE2 LYS 26 HE2 LYS 26 13.634 7.307 9.624 178 HE3 LYS 26 HE3 LYS 26 12.117 7.040 8.767 179 HZ1 LYS 26 HZ1 LYS 26 11.178 7.661 11.152 180 HZ2 LYS 26 HZ2 LYS 26 11.516 8.831 9.979 181 HZ3 LYS 26 HZ3 LYS 26 12.628 8.530 11.218 182 H TYR 27 H TYR 27 14.878 1.447 6.201 183 HA TYR 27 HA TYR 27 13.235 2.100 3.904 184 HB2 TYR 27 HB2 TYR 27 14.915 2.896 2.491 185 HB3 TYR 27 HB3 TYR 27 15.267 3.703 4.015 186 HD1 TYR 27 HD2 TYR 27 16.739 1.847 5.583 187 HD2 TYR 27 HD1 TYR 27 16.867 2.411 1.368 188 HE1 TYR 27 HE2 TYR 27 19.025 0.942 5.538 189 HE2 TYR 27 HE1 TYR 27 19.154 1.506 1.311 190 HH TYR 27 HH TYR 27 20.507 -0.181 2.936 191 H CYS 28 H CYS 28 13.310 0.533 2.262 192 HA CYS 28 HA CYS 28 13.668 -2.100 3.073 193 HB2 CYS 28 HB2 CYS 28 13.345 -0.774 0.410 194 HB3 CYS 28 HB3 CYS 28 13.746 -2.487 0.469 195 H ALA 29 H ALA 29 15.190 -3.710 2.421 196 HA ALA 29 HA ALA 29 17.787 -2.722 1.488 197 HB1 ALA 29 HB1 ALA 29 18.819 -4.271 3.274 198 HB2 ALA 29 HB2 ALA 29 18.226 -2.685 3.768 199 HB3 ALA 29 HB3 ALA 29 17.256 -4.124 4.080 200 H TRP 30 H TRP 30 18.984 -4.187 0.320 201 HA TRP 30 HA TRP 30 17.529 -6.433 -0.745 202 HB2 TRP 30 HB2 TRP 30 19.990 -4.948 -1.425 203 HB3 TRP 30 HB3 TRP 30 20.000 -6.658 -1.848 204 HD1 TRP 30 HD1 TRP 30 19.458 -3.659 -3.568 205 HE1 TRP 30 HE1 TRP 30 17.712 -3.849 -5.450 206 HE3 TRP 30 HE3 TRP 30 17.185 -8.006 -2.129 207 HZ2 TRP 30 HZ2 TRP 30 15.644 -5.608 -6.221 208 HZ3 TRP 30 HZ3 TRP 30 15.331 -8.875 -3.493 209 HH2 TRP 30 HH2 TRP 30 14.577 -7.699 -5.496 210 H ASP 31 H ASP 31 18.657 -8.572 -1.011 211 HA ASP 31 HA ASP 31 19.433 -10.487 -0.057 212 HB2 ASP 31 HB2 ASP 31 21.404 -8.743 1.420 213 HB3 ASP 31 HB3 ASP 31 21.602 -10.422 0.927 214 H GLY 32 H GLY 32 17.243 -9.257 1.230 215 HA2 GLY 32 HA2 GLY 32 16.024 -9.391 3.170 216 HA3 GLY 32 HA3 GLY 32 17.102 -10.708 3.608 217 H THR 33 H THR 33 16.972 -10.035 5.800 218 HA THR 33 HA THR 33 17.964 -7.420 6.533 219 HB THR 33 HB THR 33 17.394 -9.746 8.374 220 HG1 THR 33 HG1 THR 33 15.311 -8.755 8.579 221 HG21 THR 33 HG21 THR 33 18.351 -8.269 9.797 222 HG22 THR 33 HG22 THR 33 16.765 -7.501 9.739 223 HG23 THR 33 HG23 THR 33 18.075 -6.897 8.725 224 H PHE 34 H PHE 34 19.913 -6.940 7.473 225 HA PHE 34 HA PHE 34 22.019 -8.917 7.084 226 HB2 PHE 34 HB2 PHE 34 22.038 -5.948 7.606 227 HB3 PHE 34 HB3 PHE 34 23.508 -6.916 7.654 228 HD1 PHE 34 HD2 PHE 34 24.429 -7.884 5.632 229 HD2 PHE 34 HD1 PHE 34 20.911 -5.490 5.527 230 HE1 PHE 34 HE2 PHE 34 24.659 -7.659 3.192 231 HE2 PHE 34 HE1 PHE 34 21.135 -5.262 3.088 232 HZ PHE 34 HZ PHE 34 23.010 -6.347 1.917 233 H SER 35 H SER 35 22.351 -10.261 8.731 234 HA SER 35 HA SER 35 22.183 -9.204 11.472 235 HB2 SER 35 HB2 SER 35 21.920 -12.027 10.419 236 HB3 SER 35 HB3 SER 35 21.996 -11.627 12.135 237 HG SER 35 HG SER 35 20.115 -10.354 11.834
Contact the webmaster for help, if required. Tuesday, May 28, 2024 9:34:48 AM GMT (wattos1)