NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
7410 | 1kg1 | 5199 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASP 1 1H ASP 1 -23.962 -6.020 -0.711 2 HA ASP 1 HA ASP 1 -24.481 -6.349 -3.545 3 1HB ASP 1 1HB ASP 1 -22.221 -4.542 -2.734 4 2HB ASP 1 2HB ASP 1 -23.193 -4.510 -4.192 5 H ARG 2 H ARG 2 -22.077 -6.676 -4.632 6 HA ARG 2 HA ARG 2 -20.972 -8.840 -3.159 7 1HB ARG 2 1HB ARG 2 -19.657 -7.798 -5.665 8 2HB ARG 2 2HB ARG 2 -19.948 -9.457 -5.180 9 1HG ARG 2 1HG ARG 2 -21.660 -9.378 -6.695 10 2HG ARG 2 2HG ARG 2 -22.537 -8.557 -5.420 11 1HD ARG 2 1HD ARG 2 -21.298 -6.391 -6.431 12 2HD ARG 2 2HD ARG 2 -21.212 -7.389 -7.869 13 HE ARG 2 HE ARG 2 -23.872 -7.277 -6.598 14 1HH1 ARG 2 1HH1 ARG 2 -21.727 -5.910 -9.065 15 2HH1 ARG 2 2HH1 ARG 2 -23.022 -5.225 -9.988 16 1HH2 ARG 2 1HH2 ARG 2 -25.280 -5.510 -9.236 17 H CYS 3 H CYS 3 -18.587 -9.039 -2.714 18 HA CYS 3 HA CYS 3 -17.613 -6.953 -1.255 19 1HB CYS 3 1HB CYS 3 -15.780 -8.236 -0.877 20 2HB CYS 3 2HB CYS 3 -16.889 -9.460 -1.463 21 H ARG 4 H ARG 4 -15.610 -5.585 -1.714 22 HA ARG 4 HA ARG 4 -15.689 -4.766 -4.505 23 1HB ARG 4 1HB ARG 4 -16.027 -3.268 -2.096 24 2HB ARG 4 2HB ARG 4 -14.458 -2.801 -2.722 25 1HG ARG 4 1HG ARG 4 -15.393 -2.111 -4.842 26 2HG ARG 4 2HG ARG 4 -16.925 -2.894 -4.506 27 1HD ARG 4 1HD ARG 4 -15.851 -0.612 -2.787 28 2HD ARG 4 2HD ARG 4 -16.856 -0.332 -4.195 29 HE ARG 4 HE ARG 4 -18.043 -2.295 -2.402 30 1HH1 ARG 4 1HH1 ARG 4 -17.627 1.185 -2.923 31 2HH1 ARG 4 2HH1 ARG 4 -19.047 1.615 -2.030 32 1HH2 ARG 4 1HH2 ARG 4 -20.378 -0.115 -1.039 33 H TYR 5 H TYR 5 -13.966 -5.967 -5.389 34 HA TYR 5 HA TYR 5 -11.665 -6.743 -4.165 35 1HB TYR 5 1HB TYR 5 -12.489 -5.847 -6.971 36 2HB TYR 5 2HB TYR 5 -10.824 -6.323 -6.702 37 HD1 TYR 5 1HD TYR 5 -10.210 -8.637 -6.415 38 HD2 TYR 5 2HD TYR 5 -14.327 -7.512 -6.708 39 HE1 TYR 5 1HE TYR 5 -10.861 -11.074 -6.739 40 HE2 TYR 5 2HE TYR 5 -14.964 -9.952 -7.031 41 HH TYR 5 HH TYR 5 -12.830 -12.273 -7.883 42 H THR 6 H THR 6 -10.261 -5.536 -2.979 43 HA THR 6 HA THR 6 -9.517 -2.908 -4.085 44 HB THR 6 HB THR 6 -9.205 -3.738 -1.178 45 HG1 THR 6 1HG THR 6 -11.527 -2.575 -2.543 46 1HG2 THR 6 1HG2 THR 6 -8.479 -1.541 -1.232 47 2HG2 THR 6 2HG2 THR 6 -9.273 -1.223 -2.794 48 3HG2 THR 6 3HG2 THR 6 -10.220 -1.175 -1.287 49 H LEU 7 H LEU 7 -7.248 -2.206 -3.522 50 HA LEU 7 HA LEU 7 -5.505 -4.506 -3.998 51 1HB LEU 7 1HB LEU 7 -5.370 -1.589 -4.673 52 2HB LEU 7 2HB LEU 7 -3.897 -2.535 -4.577 53 HG LEU 7 HG LEU 7 -5.910 -3.879 -6.197 54 1HD1 LEU 7 1HD1 LEU 7 -5.368 -0.990 -6.726 55 2HD1 LEU 7 2HD1 LEU 7 -5.459 -2.106 -8.110 56 3HD1 LEU 7 3HD1 LEU 7 -6.840 -1.954 -6.998 57 1HD2 LEU 7 1HD2 LEU 7 -3.568 -4.502 -6.201 58 2HD2 LEU 7 2HD2 LEU 7 -4.054 -3.948 -7.821 59 3HD2 LEU 7 3HD2 LEU 7 -3.106 -2.877 -6.761 60 H CYS 8 H CYS 8 -4.689 -5.363 -2.159 61 HA CYS 8 HA CYS 8 -3.686 -3.439 -0.193 62 1HB CYS 8 1HB CYS 8 -5.091 -6.053 0.395 63 2HB CYS 8 2HB CYS 8 -4.280 -5.056 1.586 64 H CYS 9 H CYS 9 -1.939 -4.562 1.242 65 HA CYS 9 HA CYS 9 -0.327 -6.218 -0.541 66 1HB CYS 9 1HB CYS 9 0.324 -4.249 1.617 67 2HB CYS 9 2HB CYS 9 1.458 -5.540 1.277 68 H ASP 10 H ASP 10 0.712 -8.148 0.353 69 HA ASP 10 HA ASP 10 -0.925 -9.331 2.387 70 1HB ASP 10 1HB ASP 10 -0.435 -10.738 0.499 71 2HB ASP 10 2HB ASP 10 1.270 -10.333 0.538 72 H GLY 11 H GLY 11 1.969 -7.509 2.145 73 1HA GLY 11 1HA GLY 11 3.304 -6.839 3.890 74 2HA GLY 11 2HA GLY 11 2.714 -8.161 4.878 75 H ALA 12 H ALA 12 3.168 -10.168 2.625 76 HA ALA 12 HA ALA 12 6.038 -10.094 2.282 77 1HB ALA 12 1HB ALA 12 6.012 -12.547 3.268 78 2HB ALA 12 2HB ALA 12 6.177 -11.145 4.352 79 3HB ALA 12 3HB ALA 12 4.599 -11.948 4.170 80 H LEU 13 H LEU 13 5.207 -9.841 0.057 81 HA LEU 13 HA LEU 13 5.315 -12.142 -1.397 82 1HB LEU 13 1HB LEU 13 2.833 -12.014 -0.083 83 2HB LEU 13 2HB LEU 13 2.506 -11.583 -1.750 84 HG LEU 13 HG LEU 13 4.058 -13.761 -2.155 85 1HD1 LEU 13 1HD1 LEU 13 4.474 -14.448 0.035 86 2HD1 LEU 13 2HD1 LEU 13 2.811 -14.098 0.567 87 3HD1 LEU 13 3HD1 LEU 13 3.132 -15.493 -0.490 88 1HD2 LEU 13 1HD2 LEU 13 1.935 -15.031 -2.439 89 2HD2 LEU 13 2HD2 LEU 13 1.071 -13.683 -1.660 90 3HD2 LEU 13 3HD2 LEU 13 1.923 -13.422 -3.201 91 H LYS 14 H LYS 14 2.705 -9.700 -1.839 92 HA LYS 14 HA LYS 14 4.133 -7.737 -3.090 93 1HB LYS 14 1HB LYS 14 4.347 -10.027 -4.648 94 2HB LYS 14 2HB LYS 14 3.050 -9.139 -5.422 95 1HG LYS 14 1HG LYS 14 5.138 -8.387 -6.406 96 2HG LYS 14 2HG LYS 14 4.516 -7.076 -5.423 97 1HD LYS 14 1HD LYS 14 6.757 -7.131 -4.739 98 2HD LYS 14 2HD LYS 14 6.002 -8.126 -3.508 99 1HE LYS 14 1HE LYS 14 7.567 -9.692 -4.074 100 2HE LYS 14 2HE LYS 14 6.539 -10.017 -5.456 101 1HZ LYS 14 1HZ LYS 14 8.532 -7.856 -5.641 102 2HZ LYS 14 2HZ LYS 14 9.016 -9.398 -5.843 103 H ALA 15 H ALA 15 2.758 -6.025 -3.360 104 HA ALA 15 HA ALA 15 0.190 -6.140 -2.431 105 1HB ALA 15 1HB ALA 15 0.182 -3.902 -2.896 106 2HB ALA 15 2HB ALA 15 1.914 -4.188 -3.190 107 3HB ALA 15 3HB ALA 15 0.776 -4.136 -4.557 108 H VAL 16 H VAL 16 -1.722 -6.903 -3.200 109 HA VAL 16 HA VAL 16 -2.074 -7.061 -6.083 110 HB VAL 16 HB VAL 16 -1.083 -9.226 -5.023 111 1HG1 VAL 16 1HG1 VAL 16 -2.506 -10.689 -3.906 112 2HG1 VAL 16 2HG1 VAL 16 -2.954 -9.115 -3.207 113 3HG1 VAL 16 3HG1 VAL 16 -3.975 -9.853 -4.464 114 1HG2 VAL 16 1HG2 VAL 16 -1.699 -10.156 -6.963 115 2HG2 VAL 16 2HG2 VAL 16 -3.425 -10.096 -6.532 116 3HG2 VAL 16 3HG2 VAL 16 -2.642 -8.676 -7.265 117 H SER 17 H SER 17 -4.522 -8.233 -6.247 118 HA SER 17 HA SER 17 -6.096 -6.374 -4.680 119 1HB SER 17 1HB SER 17 -7.221 -8.066 -6.917 120 2HB SER 17 2HB SER 17 -7.721 -6.472 -6.386 121 HG SER 17 HG SER 17 -6.369 -5.601 -7.792 122 H ALA 18 H ALA 18 -7.603 -7.066 -3.151 123 HA ALA 18 HA ALA 18 -7.987 -9.975 -2.961 124 1HB ALA 18 1HB ALA 18 -6.551 -9.459 -1.161 125 2HB ALA 18 2HB ALA 18 -7.360 -7.906 -0.842 126 3HB ALA 18 3HB ALA 18 -8.174 -9.434 -0.431 127 H CYS 19 H CYS 19 -10.066 -10.594 -1.898 128 HA CYS 19 HA CYS 19 -12.118 -8.719 -2.739 129 1HB CYS 19 1HB CYS 19 -12.340 -10.924 -3.638 130 2HB CYS 19 2HB CYS 19 -12.183 -11.660 -2.055 131 H LEU 20 H LEU 20 -11.893 -7.207 -0.947 132 HA LEU 20 HA LEU 20 -12.795 -8.343 1.609 133 1HB LEU 20 1HB LEU 20 -10.912 -7.574 2.460 134 2HB LEU 20 2HB LEU 20 -10.479 -6.768 0.966 135 HG LEU 20 HG LEU 20 -12.445 -5.514 2.876 136 1HD1 LEU 20 1HD1 LEU 20 -9.525 -5.854 3.240 137 2HD1 LEU 20 2HD1 LEU 20 -10.165 -4.214 3.504 138 3HD1 LEU 20 3HD1 LEU 20 -10.817 -5.584 4.435 139 1HD2 LEU 20 1HD2 LEU 20 -11.896 -4.759 0.410 140 2HD2 LEU 20 2HD2 LEU 20 -12.121 -3.568 1.713 141 3HD2 LEU 20 3HD2 LEU 20 -10.479 -4.016 1.191 142 H HIS 21 H HIS 21 -14.179 -6.895 2.916 143 HA HIS 21 HA HIS 21 -15.897 -5.381 1.125 144 1HB HIS 21 1HB HIS 21 -16.485 -6.074 4.001 145 2HB HIS 21 2HB HIS 21 -17.613 -5.666 2.724 146 HD1 HIS 21 1HD HIS 21 -17.487 -7.551 0.595 147 HD2 HIS 21 2HD HIS 21 -16.364 -8.758 4.452 148 HE1 HIS 21 1HE HIS 21 -17.634 -10.098 0.618 149 H GLU 22 H GLU 22 -16.988 -3.379 2.319 150 HA GLU 22 HA GLU 22 -14.880 -1.590 2.755 151 1HB GLU 22 1HB GLU 22 -17.546 -1.392 2.027 152 2HB GLU 22 2HB GLU 22 -17.579 -0.739 3.653 153 1HG GLU 22 1HG GLU 22 -17.048 1.191 2.464 154 2HG GLU 22 2HG GLU 22 -15.434 0.619 2.834 155 H SER 23 H SER 23 -16.960 -3.542 4.865 156 HA SER 23 HA SER 23 -16.323 -2.038 7.187 157 1HB SER 23 1HB SER 23 -18.131 -4.165 6.451 158 2HB SER 23 2HB SER 23 -17.221 -4.689 7.854 159 HG SER 23 HG SER 23 -19.327 -3.124 7.899 160 H GLU 24 H GLU 24 -14.396 -3.834 5.232 161 HA GLU 24 HA GLU 24 -12.874 -4.844 7.506 162 1HB GLU 24 1HB GLU 24 -13.989 -6.580 5.892 163 2HB GLU 24 2HB GLU 24 -12.747 -6.106 4.750 164 1HG GLU 24 1HG GLU 24 -11.286 -6.489 7.100 165 2HG GLU 24 2HG GLU 24 -12.514 -7.733 7.215 166 H SER 25 H SER 25 -10.522 -4.710 7.298 167 HA SER 25 HA SER 25 -9.715 -2.897 5.162 168 1HB SER 25 1HB SER 25 -8.074 -1.922 6.867 169 2HB SER 25 2HB SER 25 -9.762 -1.518 7.110 170 HG SER 25 HG SER 25 -9.465 -2.281 9.088 171 H CYS 26 H CYS 26 -7.140 -2.905 5.020 172 HA CYS 26 HA CYS 26 -5.992 -5.417 5.824 173 1HB CYS 26 1HB CYS 26 -5.223 -5.570 3.254 174 2HB CYS 26 2HB CYS 26 -6.568 -6.462 3.935 175 H LEU 27 H LEU 27 -3.570 -5.411 4.935 176 HA LEU 27 HA LEU 27 -2.437 -2.967 5.769 177 1HB LEU 27 1HB LEU 27 -1.576 -5.426 5.870 178 2HB LEU 27 2HB LEU 27 -0.944 -5.091 4.270 179 HG LEU 27 HG LEU 27 0.764 -4.768 5.967 180 1HD1 LEU 27 1HD1 LEU 27 1.074 -3.420 4.054 181 2HD1 LEU 27 2HD1 LEU 27 -0.180 -2.264 4.564 182 3HD1 LEU 27 3HD1 LEU 27 1.360 -2.356 5.452 183 1HD2 LEU 27 1HD2 LEU 27 -1.156 -3.953 7.649 184 2HD2 LEU 27 2HD2 LEU 27 0.566 -3.562 7.875 185 3HD2 LEU 27 3HD2 LEU 27 -0.530 -2.365 7.144 186 H VAL 28 H VAL 28 -3.120 -1.234 4.493 187 HA VAL 28 HA VAL 28 -3.076 -1.382 1.661 188 HB VAL 28 HB VAL 28 -3.277 0.903 3.628 189 1HG1 VAL 28 1HG1 VAL 28 -4.032 1.122 0.719 190 2HG1 VAL 28 2HG1 VAL 28 -3.699 2.409 1.901 191 3HG1 VAL 28 3HG1 VAL 28 -2.361 1.433 1.248 192 1HG2 VAL 28 1HG2 VAL 28 -5.324 -0.652 2.019 193 2HG2 VAL 28 2HG2 VAL 28 -5.181 -0.535 3.789 194 3HG2 VAL 28 3HG2 VAL 28 -5.678 0.887 2.840 195 HA PRO 29 HA PRO 29 1.110 -0.495 1.022 196 1HB PRO 29 1HB PRO 29 1.044 0.277 -1.598 197 2HB PRO 29 2HB PRO 29 1.045 -1.401 -1.093 198 1HG PRO 29 1HG PRO 29 -1.198 0.221 -2.130 199 2HG PRO 29 2HG PRO 29 -1.061 -1.523 -2.025 200 1HD PRO 29 1HD PRO 29 -2.580 0.186 -0.293 201 2HD PRO 29 2HD PRO 29 -2.349 -1.543 -0.121 202 H GLY 30 H GLY 30 2.508 1.315 -0.339 203 1HA GLY 30 1HA GLY 30 1.355 3.924 0.309 204 2HA GLY 30 2HA GLY 30 2.811 3.452 1.162 205 H ASP 31 H ASP 31 2.206 5.584 -0.976 206 HA ASP 31 HA ASP 31 4.000 4.628 -3.044 207 1HB ASP 31 1HB ASP 31 2.110 7.009 -2.840 208 2HB ASP 31 2HB ASP 31 3.283 6.876 -4.135 209 H CYS 32 H CYS 32 6.158 5.112 -2.589 210 HA CYS 32 HA CYS 32 6.734 7.378 -0.894 211 1HB CYS 32 1HB CYS 32 8.432 5.152 -2.022 212 2HB CYS 32 2HB CYS 32 9.113 6.514 -1.154 213 H CYS 33 H CYS 33 7.366 9.358 -1.709 214 HA CYS 33 HA CYS 33 7.780 9.490 -4.586 215 1HB CYS 33 1HB CYS 33 6.732 11.330 -2.524 216 2HB CYS 33 2HB CYS 33 7.731 12.079 -3.753 217 H ARG 34 H ARG 34 9.794 10.028 -5.444 218 HA ARG 34 HA ARG 34 11.794 10.851 -3.498 219 1HB ARG 34 1HB ARG 34 11.988 8.402 -4.266 220 2HB ARG 34 2HB ARG 34 12.327 9.005 -5.876 221 1HG ARG 34 1HG ARG 34 14.335 10.167 -5.099 222 2HG ARG 34 2HG ARG 34 13.945 9.831 -3.423 223 1HD ARG 34 1HD ARG 34 14.047 7.377 -5.072 224 2HD ARG 34 2HD ARG 34 15.565 8.251 -5.078 225 HE ARG 34 HE ARG 34 14.318 7.870 -2.422 226 1HH1 ARG 34 1HH1 ARG 34 16.709 6.722 -4.770 227 2HH1 ARG 34 2HH1 ARG 34 17.618 5.831 -3.596 228 1HH2 ARG 34 1HH2 ARG 34 16.898 5.829 -1.310 229 H GLY 35 H GLY 35 11.685 13.070 -4.132 230 1HA GLY 35 1HA GLY 35 12.307 14.866 -5.338 231 2HA GLY 35 2HA GLY 35 13.199 13.802 -6.408 232 H LYS 36 H LYS 36 12.014 12.678 -8.179 233 HA LYS 36 HA LYS 36 9.416 13.855 -8.782 234 1HB LYS 36 1HB LYS 36 11.486 13.775 -10.956 235 2HB LYS 36 2HB LYS 36 10.016 14.723 -10.852 236 1HG LYS 36 1HG LYS 36 11.161 15.856 -8.767 237 2HG LYS 36 2HG LYS 36 12.644 15.165 -9.396 238 1HD LYS 36 1HD LYS 36 11.718 16.265 -11.695 239 2HD LYS 36 2HD LYS 36 10.910 17.329 -10.561 240 1HE LYS 36 1HE LYS 36 12.912 18.225 -9.746 241 2HE LYS 36 2HE LYS 36 13.830 16.769 -10.078 242 1HZ LYS 36 1HZ LYS 36 14.532 18.094 -11.801 243 2HZ LYS 36 2HZ LYS 36 13.240 17.452 -12.555 244 H SER 37 H SER 37 10.573 11.207 -7.830 245 HA SER 37 HA SER 37 9.440 9.660 -10.021 246 1HB SER 37 1HB SER 37 12.055 9.292 -8.594 247 2HB SER 37 2HB SER 37 11.151 7.837 -8.967 248 HG SER 37 HG SER 37 12.560 9.533 -10.665 249 H ARG 38 H ARG 38 7.618 8.619 -9.310 250 HA ARG 38 HA ARG 38 7.331 8.311 -6.459 251 1HB ARG 38 1HB ARG 38 4.935 7.823 -7.005 252 2HB ARG 38 2HB ARG 38 5.458 9.353 -7.681 253 1HG ARG 38 1HG ARG 38 4.718 8.602 -9.692 254 2HG ARG 38 2HG ARG 38 6.093 7.516 -9.705 255 1HD ARG 38 1HD ARG 38 3.831 6.384 -10.048 256 2HD ARG 38 2HD ARG 38 4.805 5.702 -8.761 257 HE ARG 38 HE ARG 38 3.279 6.533 -7.161 258 1HH1 ARG 38 1HH1 ARG 38 2.524 7.867 -10.356 259 2HH1 ARG 38 2HH1 ARG 38 0.995 8.513 -9.862 260 1HH2 ARG 38 1HH2 ARG 38 0.272 8.217 -7.596 261 H LEU 39 H LEU 39 6.722 6.233 -5.491 262 HA LEU 39 HA LEU 39 6.854 3.908 -7.211 263 1HB LEU 39 1HB LEU 39 9.211 4.537 -6.550 264 2HB LEU 39 2HB LEU 39 8.765 4.180 -4.894 265 HG LEU 39 HG LEU 39 8.373 1.862 -5.411 266 1HD1 LEU 39 1HD1 LEU 39 7.354 1.809 -7.506 267 2HD1 LEU 39 2HD1 LEU 39 8.658 2.744 -8.276 268 3HD1 LEU 39 3HD1 LEU 39 8.942 1.055 -7.791 269 1HD2 LEU 39 1HD2 LEU 39 10.669 1.240 -6.359 270 2HD2 LEU 39 2HD2 LEU 39 10.967 2.992 -6.454 271 3HD2 LEU 39 3HD2 LEU 39 10.625 2.232 -4.881 272 H THR 40 H THR 40 5.788 2.095 -6.315 273 HA THR 40 HA THR 40 4.452 2.658 -3.748 274 HB THR 40 HB THR 40 3.389 1.264 -6.262 275 HG1 THR 40 1HG THR 40 2.405 3.279 -6.523 276 1HG2 THR 40 1HG2 THR 40 2.436 1.404 -3.448 277 2HG2 THR 40 2HG2 THR 40 1.250 1.997 -4.635 278 3HG2 THR 40 3HG2 THR 40 1.893 0.343 -4.771 279 H LEU 41 H LEU 41 5.064 1.356 -2.150 280 HA LEU 41 HA LEU 41 5.544 -1.439 -2.810 281 1HB LEU 41 1HB LEU 41 7.505 -0.071 -1.019 282 2HB LEU 41 2HB LEU 41 7.663 -1.565 -1.923 283 HG LEU 41 HG LEU 41 7.407 0.996 -3.454 284 1HD1 LEU 41 1HD1 LEU 41 9.978 1.118 -3.329 285 2HD1 LEU 41 2HD1 LEU 41 9.030 1.767 -1.969 286 3HD1 LEU 41 3HD1 LEU 41 9.807 0.172 -1.831 287 1HD2 LEU 41 1HD2 LEU 41 9.073 -0.240 -4.914 288 2HD2 LEU 41 2HD2 LEU 41 8.794 -1.656 -3.871 289 3HD2 LEU 41 3HD2 LEU 41 7.444 -0.949 -4.792 290 H CYS 42 H CYS 42 5.950 -2.639 -0.544 291 HA CYS 42 HA CYS 42 3.852 -1.588 1.204 292 1HB CYS 42 1HB CYS 42 4.776 -4.438 1.266 293 2HB CYS 42 2HB CYS 42 3.242 -3.755 1.765 294 H SER 43 H SER 43 4.637 -0.682 3.073 295 HA SER 43 HA SER 43 6.648 -2.055 4.526 296 1HB SER 43 1HB SER 43 7.282 0.525 3.083 297 2HB SER 43 2HB SER 43 8.030 0.212 4.636 298 HG SER 43 HG SER 43 8.743 -1.898 3.703 299 H TYR 44 H TYR 44 6.216 -1.742 6.699 300 HA TYR 44 HA TYR 44 4.190 0.235 7.346 301 1HB TYR 44 1HB TYR 44 5.640 -1.709 9.212 302 2HB TYR 44 2HB TYR 44 3.979 -1.162 9.326 303 HD1 TYR 44 1HD TYR 44 3.609 -1.683 6.168 304 HD2 TYR 44 2HD TYR 44 4.873 -4.042 9.507 305 HE1 TYR 44 1HE TYR 44 2.836 -3.794 4.980 306 HE2 TYR 44 2HE TYR 44 4.095 -6.144 8.307 307 HH TYR 44 HH TYR 44 3.769 -6.836 5.922 308 H GLY 45 H GLY 45 4.458 1.416 9.521 309 1HA GLY 45 1HA GLY 45 7.265 2.305 9.820 310 2HA GLY 45 2HA GLY 45 5.914 3.420 9.769 311 H GLU 46 H GLU 46 8.001 1.839 11.840 312 HA GLU 46 HA GLU 46 6.676 0.717 13.825 313 1HB GLU 46 1HB GLU 46 8.358 2.209 15.331 314 2HB GLU 46 2HB GLU 46 8.904 0.864 14.349 315 1HG GLU 46 1HG GLU 46 8.695 3.484 12.922 316 2HG GLU 46 2HG GLU 46 9.924 3.408 14.170 317 H GLY 47 H GLY 47 5.035 1.199 15.234 318 1HA GLY 47 1HA GLY 47 4.595 3.496 16.618 319 2HA GLY 47 2HA GLY 47 3.803 3.796 15.084 320 H GLY 48 H GLY 48 2.468 1.713 14.259 321 1HA GLY 48 1HA GLY 48 1.376 -0.051 16.148 322 2HA GLY 48 2HA GLY 48 0.350 1.367 16.066 323 H ASN 49 H ASN 49 -0.143 2.151 13.685 324 HA ASN 49 HA ASN 49 -0.234 -0.084 11.868 325 1HB ASN 49 1HB ASN 49 -2.712 1.437 12.831 326 2HB ASN 49 2HB ASN 49 -2.711 0.394 11.423 327 1HD2 ASN 49 1HD2 ASN 49 -4.130 0.253 14.012 328 2HD2 ASN 49 2HD2 ASN 49 -3.792 -1.308 14.682 329 H GLY 50 H GLY 50 1.423 1.593 11.007 330 1HA GLY 50 1HA GLY 50 0.033 3.464 9.233 331 2HA GLY 50 2HA GLY 50 1.230 4.117 10.333 332 H PHE 51 H PHE 51 1.342 4.085 7.390 333 HA PHE 51 HA PHE 51 3.464 2.142 6.898 334 1HB PHE 51 1HB PHE 51 1.605 2.252 5.270 335 2HB PHE 51 2HB PHE 51 1.699 4.000 5.205 336 HD1 PHE 51 1HD PHE 51 3.761 5.056 4.163 337 HD2 PHE 51 2HD PHE 51 2.870 0.924 3.796 338 HE1 PHE 51 1HE PHE 51 5.297 4.901 2.183 339 HE2 PHE 51 2HE PHE 51 4.405 0.768 1.816 340 HZ PHE 51 HZ PHE 51 5.600 2.759 1.034 341 H GLN 52 H GLN 52 5.521 2.788 6.042 342 HA GLN 52 HA GLN 52 6.024 5.647 6.288 343 1HB GLN 52 1HB GLN 52 6.938 3.770 8.110 344 2HB GLN 52 2HB GLN 52 8.296 3.879 7.008 345 1HG GLN 52 1HG GLN 52 7.386 6.563 7.463 346 2HG GLN 52 2HG GLN 52 7.448 5.780 9.030 347 1HE2 GLN 52 1HE2 GLN 52 9.137 7.541 9.156 348 2HE2 GLN 52 2HE2 GLN 52 10.771 7.112 8.775 349 H CYS 53 H CYS 53 8.492 5.994 5.351 350 HA CYS 53 HA CYS 53 8.524 4.517 2.819 351 1HB CYS 53 1HB CYS 53 8.774 7.429 3.399 352 2HB CYS 53 2HB CYS 53 9.774 6.770 2.120 353 HA PRO 54 HA PRO 54 12.650 3.594 3.864 354 1HB PRO 54 1HB PRO 54 13.833 3.286 1.420 355 2HB PRO 54 2HB PRO 54 12.836 2.052 2.165 356 1HG PRO 54 1HG PRO 54 12.174 3.871 -0.069 357 2HG PRO 54 2HG PRO 54 11.384 2.380 0.403 358 1HD PRO 54 1HD PRO 54 10.447 5.047 0.889 359 2HD PRO 54 2HD PRO 54 9.718 3.559 1.461 360 H THR 55 H THR 55 15.008 4.167 3.711 361 HA THR 55 HA THR 55 15.189 6.956 4.068 362 HB THR 55 HB THR 55 17.351 4.827 3.632 363 HG1 THR 55 1HG THR 55 15.987 5.980 5.965 364 1HG2 THR 55 1HG2 THR 55 17.358 7.544 5.048 365 2HG2 THR 55 2HG2 THR 55 18.662 6.339 5.172 366 3HG2 THR 55 3HG2 THR 55 18.309 7.112 3.608 367 H GLY 56 H GLY 56 15.561 8.618 2.724 368 1HA GLY 56 1HA GLY 56 16.571 9.612 0.871 369 2HA GLY 56 2HA GLY 56 16.716 8.050 0.089 370 H TYR 57 H TYR 57 13.678 7.898 1.384 371 HA TYR 57 HA TYR 57 12.480 9.090 -1.026 372 1HB TYR 57 1HB TYR 57 12.020 6.597 0.691 373 2HB TYR 57 2HB TYR 57 10.683 7.237 -0.245 374 HD1 TYR 57 1HD TYR 57 10.756 7.212 -2.724 375 HD2 TYR 57 2HD TYR 57 13.866 5.447 -0.376 376 HE1 TYR 57 1HE TYR 57 11.582 5.937 -4.763 377 HE2 TYR 57 2HE TYR 57 14.681 4.178 -2.423 378 HH TYR 57 HH TYR 57 13.195 3.418 -4.779 379 H ARG 58 H ARG 58 9.958 9.413 -0.603 380 HA ARG 58 HA ARG 58 9.543 10.333 2.097 381 1HB ARG 58 1HB ARG 58 10.417 12.211 0.408 382 2HB ARG 58 2HB ARG 58 8.763 12.190 -0.171 383 1HG ARG 58 1HG ARG 58 8.674 12.223 2.712 384 2HG ARG 58 2HG ARG 58 9.815 13.452 2.205 385 1HD ARG 58 1HD ARG 58 7.703 13.797 0.399 386 2HD ARG 58 2HD ARG 58 6.873 13.377 1.884 387 HE ARG 58 HE ARG 58 8.731 15.250 2.722 388 1HH1 ARG 58 1HH1 ARG 58 6.244 15.248 0.197 389 2HH1 ARG 58 2HH1 ARG 58 5.983 16.958 0.280 390 1HH2 ARG 58 1HH2 ARG 58 7.253 18.266 1.836 391 H GLN 59 H GLN 59 7.062 11.466 1.953 392 HA GLN 59 HA GLN 59 5.501 9.259 0.971 393 1HB GLN 59 1HB GLN 59 5.197 11.381 3.017 394 2HB GLN 59 2HB GLN 59 3.720 11.045 2.136 395 1HG GLN 59 1HG GLN 59 3.418 9.133 3.313 396 2HG GLN 59 2HG GLN 59 4.957 8.514 2.748 397 1HE2 GLN 59 1HE2 GLN 59 3.638 10.911 5.028 398 2HE2 GLN 59 2HE2 GLN 59 4.729 10.596 6.336 399 H CYS 60 H CYS 60 4.059 9.344 -0.752 400 HA CYS 60 HA CYS 60 4.346 11.589 -2.493 401 1HB CYS 60 1HB CYS 60 3.116 8.883 -2.642 402 2HB CYS 60 2HB CYS 60 2.474 10.112 -3.714 Start of MODEL 2 1 1H ASP 1 1H ASP 1 -18.881 -4.811 -9.476 2 HA ASP 1 HA ASP 1 -20.841 -3.314 -8.810 3 1HB ASP 1 1HB ASP 1 -20.465 -6.269 -8.472 4 2HB ASP 1 2HB ASP 1 -21.899 -5.597 -7.720 5 H ARG 2 H ARG 2 -19.504 -5.673 -6.358 6 HA ARG 2 HA ARG 2 -20.352 -3.776 -4.319 7 1HB ARG 2 1HB ARG 2 -20.027 -6.762 -3.828 8 2HB ARG 2 2HB ARG 2 -20.914 -5.603 -2.859 9 1HG ARG 2 1HG ARG 2 -22.046 -5.477 -5.482 10 2HG ARG 2 2HG ARG 2 -21.845 -7.179 -5.121 11 1HD ARG 2 1HD ARG 2 -22.943 -6.642 -2.815 12 2HD ARG 2 2HD ARG 2 -23.410 -5.110 -3.525 13 HE ARG 2 HE ARG 2 -24.940 -6.229 -4.944 14 1HH1 ARG 2 1HH1 ARG 2 -22.930 -8.581 -3.216 15 2HH1 ARG 2 2HH1 ARG 2 -23.914 -9.935 -3.662 16 1HH2 ARG 2 1HH2 ARG 2 -25.854 -9.579 -5.024 17 H CYS 3 H CYS 3 -18.994 -3.939 -2.235 18 HA CYS 3 HA CYS 3 -17.055 -3.810 -1.218 19 1HB CYS 3 1HB CYS 3 -15.763 -5.666 -1.104 20 2HB CYS 3 2HB CYS 3 -17.184 -6.352 -1.864 21 H ARG 4 H ARG 4 -14.740 -3.061 -1.511 22 HA ARG 4 HA ARG 4 -14.478 -1.861 -4.150 23 1HB ARG 4 1HB ARG 4 -13.624 -0.925 -1.379 24 2HB ARG 4 2HB ARG 4 -12.891 -0.242 -2.817 25 1HG ARG 4 1HG ARG 4 -15.656 -0.184 -3.375 26 2HG ARG 4 2HG ARG 4 -15.560 0.242 -1.677 27 1HD ARG 4 1HD ARG 4 -13.483 1.750 -2.741 28 2HD ARG 4 2HD ARG 4 -14.635 1.764 -4.062 29 HE ARG 4 HE ARG 4 -15.850 2.325 -1.451 30 1HH1 ARG 4 1HH1 ARG 4 -14.239 3.753 -4.266 31 2HH1 ARG 4 2HH1 ARG 4 -14.896 5.332 -3.996 32 1HH2 ARG 4 1HH2 ARG 4 -16.351 5.695 -2.126 33 H TYR 5 H TYR 5 -13.333 -3.706 -5.050 34 HA TYR 5 HA TYR 5 -11.378 -5.203 -4.033 35 1HB TYR 5 1HB TYR 5 -12.130 -3.976 -6.650 36 2HB TYR 5 2HB TYR 5 -10.432 -4.405 -6.594 37 HD1 TYR 5 1HD TYR 5 -13.558 -5.564 -7.541 38 HD2 TYR 5 2HD TYR 5 -10.038 -6.882 -5.497 39 HE1 TYR 5 1HE TYR 5 -14.143 -7.980 -8.075 40 HE2 TYR 5 2HE TYR 5 -10.635 -9.292 -6.037 41 HH TYR 5 HH TYR 5 -13.580 -10.268 -6.905 42 H THR 6 H THR 6 -9.891 -4.428 -2.549 43 HA THR 6 HA THR 6 -8.184 -2.215 -3.481 44 HB THR 6 HB THR 6 -7.728 -2.404 -0.790 45 HG1 THR 6 1HG THR 6 -9.539 -3.362 0.143 46 1HG2 THR 6 1HG2 THR 6 -10.370 -1.168 -1.595 47 2HG2 THR 6 2HG2 THR 6 -9.107 -0.516 -0.524 48 3HG2 THR 6 3HG2 THR 6 -8.876 -0.493 -2.290 49 H LEU 7 H LEU 7 -5.873 -2.326 -2.821 50 HA LEU 7 HA LEU 7 -4.954 -5.050 -3.292 51 1HB LEU 7 1HB LEU 7 -3.907 -2.316 -3.779 52 2HB LEU 7 2HB LEU 7 -2.727 -3.558 -3.415 53 HG LEU 7 HG LEU 7 -3.181 -3.139 -5.858 54 1HD1 LEU 7 1HD1 LEU 7 -3.555 -5.746 -6.264 55 2HD1 LEU 7 2HD1 LEU 7 -2.034 -5.088 -5.617 56 3HD1 LEU 7 3HD1 LEU 7 -3.237 -5.796 -4.513 57 1HD2 LEU 7 1HD2 LEU 7 -5.877 -4.185 -5.048 58 2HD2 LEU 7 2HD2 LEU 7 -5.456 -2.817 -6.107 59 3HD2 LEU 7 3HD2 LEU 7 -5.250 -4.488 -6.686 60 H CYS 8 H CYS 8 -4.148 -6.301 -1.692 61 HA CYS 8 HA CYS 8 -3.432 -4.908 0.786 62 1HB CYS 8 1HB CYS 8 -4.425 -7.752 0.558 63 2HB CYS 8 2HB CYS 8 -4.133 -6.840 2.025 64 H CYS 9 H CYS 9 -1.644 -6.029 2.036 65 HA CYS 9 HA CYS 9 0.209 -7.273 0.142 66 1HB CYS 9 1HB CYS 9 0.563 -5.324 2.358 67 2HB CYS 9 2HB CYS 9 1.820 -6.528 2.159 68 H ASP 10 H ASP 10 1.255 -9.233 0.783 69 HA ASP 10 HA ASP 10 -0.174 -10.626 2.843 70 1HB ASP 10 1HB ASP 10 1.858 -11.394 0.723 71 2HB ASP 10 2HB ASP 10 1.479 -12.515 2.016 72 H GLY 11 H GLY 11 2.550 -8.618 2.598 73 1HA GLY 11 1HA GLY 11 3.968 -8.057 4.323 74 2HA GLY 11 2HA GLY 11 3.604 -9.562 5.143 75 H ALA 12 H ALA 12 4.028 -11.267 2.723 76 HA ALA 12 HA ALA 12 6.786 -10.794 2.005 77 1HB ALA 12 1HB ALA 12 6.062 -12.497 4.222 78 2HB ALA 12 2HB ALA 12 6.728 -13.493 2.906 79 3HB ALA 12 3HB ALA 12 7.677 -12.140 3.566 80 H LEU 13 H LEU 13 5.682 -10.553 -0.077 81 HA LEU 13 HA LEU 13 5.803 -12.802 -1.640 82 1HB LEU 13 1HB LEU 13 3.246 -12.533 -0.226 83 2HB LEU 13 2HB LEU 13 3.082 -12.676 -1.965 84 HG LEU 13 HG LEU 13 4.934 -14.631 -0.756 85 1HD1 LEU 13 1HD1 LEU 13 2.323 -14.206 0.437 86 2HD1 LEU 13 2HD1 LEU 13 2.466 -15.835 -0.267 87 3HD1 LEU 13 3HD1 LEU 13 3.651 -15.278 0.940 88 1HD2 LEU 13 1HD2 LEU 13 3.442 -14.330 -3.120 89 2HD2 LEU 13 2HD2 LEU 13 4.477 -15.698 -2.646 90 3HD2 LEU 13 3HD2 LEU 13 2.737 -15.726 -2.268 91 H LYS 14 H LYS 14 2.925 -10.739 -1.954 92 HA LYS 14 HA LYS 14 4.141 -8.563 -3.194 93 1HB LYS 14 1HB LYS 14 3.925 -8.975 -5.508 94 2HB LYS 14 2HB LYS 14 4.777 -10.358 -4.854 95 1HG LYS 14 1HG LYS 14 2.206 -11.253 -4.593 96 2HG LYS 14 2HG LYS 14 2.001 -10.188 -5.970 97 1HD LYS 14 1HD LYS 14 2.851 -11.813 -7.300 98 2HD LYS 14 2HD LYS 14 4.398 -11.614 -6.501 99 1HE LYS 14 1HE LYS 14 4.148 -13.527 -5.253 100 2HE LYS 14 2HE LYS 14 2.456 -13.213 -4.923 101 1HZ LYS 14 1HZ LYS 14 1.818 -14.359 -6.783 102 2HZ LYS 14 2HZ LYS 14 3.108 -13.927 -7.676 103 H ALA 15 H ALA 15 2.671 -6.981 -2.899 104 HA ALA 15 HA ALA 15 0.230 -7.275 -1.839 105 1HB ALA 15 1HB ALA 15 0.621 -5.174 -3.961 106 2HB ALA 15 2HB ALA 15 -0.085 -5.024 -2.334 107 3HB ALA 15 3HB ALA 15 1.677 -5.174 -2.528 108 H VAL 16 H VAL 16 -1.649 -8.245 -2.409 109 HA VAL 16 HA VAL 16 -2.157 -8.533 -5.289 110 HB VAL 16 HB VAL 16 -1.443 -10.630 -4.147 111 1HG1 VAL 16 1HG1 VAL 16 -3.861 -10.004 -2.467 112 2HG1 VAL 16 2HG1 VAL 16 -3.380 -11.694 -2.751 113 3HG1 VAL 16 3HG1 VAL 16 -2.248 -10.565 -1.968 114 1HG2 VAL 16 1HG2 VAL 16 -4.329 -10.816 -5.035 115 2HG2 VAL 16 2HG2 VAL 16 -2.999 -10.482 -6.169 116 3HG2 VAL 16 3HG2 VAL 16 -3.023 -12.005 -5.248 117 H SER 17 H SER 17 -4.376 -8.355 -5.952 118 HA SER 17 HA SER 17 -5.778 -6.469 -4.434 119 1HB SER 17 1HB SER 17 -7.620 -6.998 -6.195 120 2HB SER 17 2HB SER 17 -6.110 -6.312 -6.759 121 HG SER 17 HG SER 17 -5.491 -8.241 -7.642 122 H ALA 18 H ALA 18 -7.943 -6.701 -3.459 123 HA ALA 18 HA ALA 18 -8.880 -9.403 -3.018 124 1HB ALA 18 1HB ALA 18 -7.588 -9.517 -1.127 125 2HB ALA 18 2HB ALA 18 -7.466 -7.748 -0.972 126 3HB ALA 18 3HB ALA 18 -8.943 -8.589 -0.443 127 H CYS 19 H CYS 19 -11.100 -9.451 -2.361 128 HA CYS 19 HA CYS 19 -12.428 -6.933 -2.922 129 1HB CYS 19 1HB CYS 19 -13.195 -8.791 -4.215 130 2HB CYS 19 2HB CYS 19 -13.408 -9.785 -2.788 131 H LEU 20 H LEU 20 -11.852 -5.919 -0.845 132 HA LEU 20 HA LEU 20 -13.231 -7.146 1.439 133 1HB LEU 20 1HB LEU 20 -10.622 -5.911 1.103 134 2HB LEU 20 2HB LEU 20 -11.541 -5.144 2.383 135 HG LEU 20 HG LEU 20 -11.899 -7.403 3.412 136 1HD1 LEU 20 1HD1 LEU 20 -9.858 -8.320 1.367 137 2HD1 LEU 20 2HD1 LEU 20 -10.531 -9.283 2.705 138 3HD1 LEU 20 3HD1 LEU 20 -11.586 -8.747 1.375 139 1HD2 LEU 20 1HD2 LEU 20 -9.044 -7.438 3.517 140 2HD2 LEU 20 2HD2 LEU 20 -9.590 -5.747 3.421 141 3HD2 LEU 20 3HD2 LEU 20 -10.205 -6.809 4.710 142 H HIS 21 H HIS 21 -14.354 -5.645 2.927 143 HA HIS 21 HA HIS 21 -15.474 -3.428 1.384 144 1HB HIS 21 1HB HIS 21 -16.651 -4.929 3.741 145 2HB HIS 21 2HB HIS 21 -17.431 -3.633 2.857 146 HD1 HIS 21 1HD HIS 21 -16.666 -7.287 2.696 147 HD2 HIS 21 2HD HIS 21 -18.334 -4.335 0.226 148 HE1 HIS 21 1HE HIS 21 -17.821 -8.522 0.785 149 H GLU 22 H GLU 22 -16.497 -1.744 3.195 150 HA GLU 22 HA GLU 22 -14.210 -0.516 4.219 151 1HB GLU 22 1HB GLU 22 -17.122 0.025 4.102 152 2HB GLU 22 2HB GLU 22 -16.334 0.728 5.500 153 1HG GLU 22 1HG GLU 22 -14.834 2.021 4.165 154 2HG GLU 22 2HG GLU 22 -15.107 1.038 2.740 155 H SER 23 H SER 23 -16.522 -2.841 5.527 156 HA SER 23 HA SER 23 -15.864 -2.271 8.231 157 1HB SER 23 1HB SER 23 -17.812 -3.845 6.798 158 2HB SER 23 2HB SER 23 -17.005 -4.896 7.945 159 HG SER 23 HG SER 23 -17.416 -2.865 9.450 160 H GLU 24 H GLU 24 -14.062 -3.532 5.764 161 HA GLU 24 HA GLU 24 -12.631 -5.263 7.620 162 1HB GLU 24 1HB GLU 24 -13.993 -6.393 5.646 163 2HB GLU 24 2HB GLU 24 -12.651 -5.854 4.655 164 1HG GLU 24 1HG GLU 24 -11.943 -8.000 5.318 165 2HG GLU 24 2HG GLU 24 -11.127 -6.971 6.478 166 H SER 25 H SER 25 -10.283 -5.327 7.299 167 HA SER 25 HA SER 25 -9.234 -3.464 5.383 168 1HB SER 25 1HB SER 25 -8.099 -2.048 6.947 169 2HB SER 25 2HB SER 25 -9.761 -2.137 7.496 170 HG SER 25 HG SER 25 -9.009 -2.858 9.357 171 H CYS 26 H CYS 26 -7.161 -4.089 4.696 172 HA CYS 26 HA CYS 26 -5.960 -6.279 6.230 173 1HB CYS 26 1HB CYS 26 -5.037 -6.826 3.788 174 2HB CYS 26 2HB CYS 26 -6.510 -7.516 4.440 175 H LEU 27 H LEU 27 -3.487 -6.476 5.405 176 HA LEU 27 HA LEU 27 -2.269 -4.041 6.101 177 1HB LEU 27 1HB LEU 27 -1.523 -6.558 6.288 178 2HB LEU 27 2HB LEU 27 -0.800 -6.249 4.721 179 HG LEU 27 HG LEU 27 0.353 -4.235 5.826 180 1HD1 LEU 27 1HD1 LEU 27 0.000 -3.765 7.964 181 2HD1 LEU 27 2HD1 LEU 27 -1.247 -5.035 8.006 182 3HD1 LEU 27 3HD1 LEU 27 0.434 -5.423 8.445 183 1HD2 LEU 27 1HD2 LEU 27 1.551 -6.233 5.145 184 2HD2 LEU 27 2HD2 LEU 27 2.171 -5.642 6.706 185 3HD2 LEU 27 3HD2 LEU 27 1.089 -7.055 6.656 186 H VAL 28 H VAL 28 -3.348 -2.575 4.553 187 HA VAL 28 HA VAL 28 -2.932 -2.859 1.786 188 HB VAL 28 HB VAL 28 -4.653 -1.484 3.107 189 1HG1 VAL 28 1HG1 VAL 28 -4.144 0.599 3.927 190 2HG1 VAL 28 2HG1 VAL 28 -2.602 -0.233 4.243 191 3HG1 VAL 28 3HG1 VAL 28 -2.768 0.823 2.820 192 1HG2 VAL 28 1HG2 VAL 28 -3.344 -0.006 0.815 193 2HG2 VAL 28 2HG2 VAL 28 -4.233 -1.529 0.582 194 3HG2 VAL 28 3HG2 VAL 28 -5.070 -0.101 1.237 195 HA PRO 29 HA PRO 29 1.162 -1.489 1.486 196 1HB PRO 29 1HB PRO 29 1.284 -0.942 -1.190 197 2HB PRO 29 2HB PRO 29 1.439 -2.559 -0.533 198 1HG PRO 29 1HG PRO 29 -0.863 -1.338 -1.928 199 2HG PRO 29 2HG PRO 29 -0.522 -3.034 -1.649 200 1HD PRO 29 1HD PRO 29 -2.420 -1.412 -0.239 201 2HD PRO 29 2HD PRO 29 -1.996 -3.075 0.115 202 H GLY 30 H GLY 30 2.398 0.387 -0.036 203 1HA GLY 30 1HA GLY 30 0.884 2.856 0.390 204 2HA GLY 30 2HA GLY 30 2.373 2.652 1.291 205 H ASP 31 H ASP 31 1.619 4.580 -0.926 206 HA ASP 31 HA ASP 31 3.537 3.707 -2.928 207 1HB ASP 31 1HB ASP 31 1.746 6.153 -3.127 208 2HB ASP 31 2HB ASP 31 2.497 5.260 -4.434 209 H CYS 32 H CYS 32 5.590 4.434 -2.281 210 HA CYS 32 HA CYS 32 5.792 6.938 -0.865 211 1HB CYS 32 1HB CYS 32 7.650 4.669 -1.462 212 2HB CYS 32 2HB CYS 32 8.326 6.234 -1.057 213 H CYS 33 H CYS 33 5.835 8.805 -2.072 214 HA CYS 33 HA CYS 33 7.198 8.648 -4.662 215 1HB CYS 33 1HB CYS 33 5.725 10.375 -5.489 216 2HB CYS 33 2HB CYS 33 4.809 8.982 -4.951 217 H ARG 34 H ARG 34 8.665 10.384 -5.139 218 HA ARG 34 HA ARG 34 8.853 12.552 -3.326 219 1HB ARG 34 1HB ARG 34 10.102 10.729 -2.100 220 2HB ARG 34 2HB ARG 34 11.178 10.565 -3.473 221 1HG ARG 34 1HG ARG 34 10.803 13.286 -2.194 222 2HG ARG 34 2HG ARG 34 11.859 12.114 -1.430 223 1HD ARG 34 1HD ARG 34 13.505 12.486 -2.957 224 2HD ARG 34 2HD ARG 34 12.409 12.211 -4.296 225 HE ARG 34 HE ARG 34 11.997 14.538 -4.447 226 1HH1 ARG 34 1HH1 ARG 34 13.919 13.815 -1.559 227 2HH1 ARG 34 2HH1 ARG 34 14.323 15.473 -1.262 228 1HH2 ARG 34 1HH2 ARG 34 13.495 17.167 -2.740 229 H GLY 35 H GLY 35 9.589 14.320 -4.500 230 1HA GLY 35 1HA GLY 35 10.580 15.522 -6.125 231 2HA GLY 35 2HA GLY 35 11.648 14.168 -6.436 232 H LYS 36 H LYS 36 11.041 12.514 -7.984 233 HA LYS 36 HA LYS 36 8.582 12.942 -9.448 234 1HB LYS 36 1HB LYS 36 9.582 13.323 -11.569 235 2HB LYS 36 2HB LYS 36 10.266 14.500 -10.467 236 1HG LYS 36 1HG LYS 36 12.374 13.535 -10.511 237 2HG LYS 36 2HG LYS 36 11.749 11.907 -10.675 238 1HD LYS 36 1HD LYS 36 10.951 13.135 -13.069 239 2HD LYS 36 2HD LYS 36 12.531 13.832 -12.773 240 1HE LYS 36 1HE LYS 36 13.590 11.887 -13.300 241 2HE LYS 36 2HE LYS 36 12.569 10.956 -12.221 242 1HZ LYS 36 1HZ LYS 36 11.615 10.155 -14.079 243 2HZ LYS 36 2HZ LYS 36 10.938 11.613 -14.341 244 H SER 37 H SER 37 9.735 10.918 -7.607 245 HA SER 37 HA SER 37 9.602 8.714 -9.494 246 1HB SER 37 1HB SER 37 11.599 9.008 -7.209 247 2HB SER 37 2HB SER 37 11.306 7.497 -8.046 248 HG SER 37 HG SER 37 13.150 8.776 -8.874 249 H ARG 38 H ARG 38 7.956 7.337 -8.922 250 HA ARG 38 HA ARG 38 7.199 7.378 -6.110 251 1HB ARG 38 1HB ARG 38 4.857 6.848 -6.914 252 2HB ARG 38 2HB ARG 38 5.429 8.421 -7.432 253 1HG ARG 38 1HG ARG 38 5.788 7.704 -9.670 254 2HG ARG 38 2HG ARG 38 5.853 6.011 -9.222 255 1HD ARG 38 1HD ARG 38 3.304 7.627 -8.825 256 2HD ARG 38 2HD ARG 38 3.678 6.909 -10.380 257 HE ARG 38 HE ARG 38 3.948 4.984 -8.211 258 1HH1 ARG 38 1HH1 ARG 38 1.592 6.541 -10.350 259 2HH1 ARG 38 2HH1 ARG 38 0.441 5.253 -10.225 260 1HH2 ARG 38 1HH2 ARG 38 0.955 3.348 -8.865 261 H LEU 39 H LEU 39 6.510 5.314 -5.182 262 HA LEU 39 HA LEU 39 6.697 2.974 -6.860 263 1HB LEU 39 1HB LEU 39 8.867 2.692 -6.470 264 2HB LEU 39 2HB LEU 39 8.895 3.860 -5.164 265 HG LEU 39 HG LEU 39 7.602 1.259 -4.544 266 1HD1 LEU 39 1HD1 LEU 39 9.704 0.078 -4.228 267 2HD1 LEU 39 2HD1 LEU 39 9.497 0.538 -5.935 268 3HD1 LEU 39 3HD1 LEU 39 10.607 1.460 -4.893 269 1HD2 LEU 39 1HD2 LEU 39 9.691 2.805 -2.999 270 2HD2 LEU 39 2HD2 LEU 39 7.953 3.187 -2.941 271 3HD2 LEU 39 3HD2 LEU 39 8.534 1.596 -2.394 272 H THR 40 H THR 40 5.273 1.430 -6.171 273 HA THR 40 HA THR 40 4.061 1.912 -3.529 274 HB THR 40 HB THR 40 2.819 0.554 -5.973 275 HG1 THR 40 1HG THR 40 2.466 2.643 -6.640 276 1HG2 THR 40 1HG2 THR 40 1.829 1.614 -3.303 277 2HG2 THR 40 2HG2 THR 40 0.749 1.646 -4.718 278 3HG2 THR 40 3HG2 THR 40 1.397 0.097 -4.127 279 H LEU 41 H LEU 41 4.819 0.557 -2.030 280 HA LEU 41 HA LEU 41 4.728 -2.263 -2.622 281 1HB LEU 41 1HB LEU 41 6.887 -2.721 -2.742 282 2HB LEU 41 2HB LEU 41 7.102 -1.020 -3.106 283 HG LEU 41 HG LEU 41 7.080 -1.156 -0.299 284 1HD1 LEU 41 1HD1 LEU 41 7.440 -3.694 -0.855 285 2HD1 LEU 41 2HD1 LEU 41 9.108 -3.172 -1.195 286 3HD1 LEU 41 3HD1 LEU 41 8.400 -2.896 0.414 287 1HD2 LEU 41 1HD2 LEU 41 9.753 -1.018 -1.069 288 2HD2 LEU 41 2HD2 LEU 41 8.853 -0.373 -2.463 289 3HD2 LEU 41 3HD2 LEU 41 8.627 0.343 -0.849 290 H CYS 42 H CYS 42 5.591 -3.432 -0.429 291 HA CYS 42 HA CYS 42 3.946 -2.215 1.610 292 1HB CYS 42 1HB CYS 42 5.369 -4.797 2.050 293 2HB CYS 42 2HB CYS 42 3.778 -4.285 2.575 294 H SER 43 H SER 43 4.877 -0.846 3.088 295 HA SER 43 HA SER 43 7.485 -1.551 4.085 296 1HB SER 43 1HB SER 43 6.856 1.002 2.588 297 2HB SER 43 2HB SER 43 8.050 1.029 3.869 298 HG SER 43 HG SER 43 8.321 -1.088 2.014 299 H TYR 44 H TYR 44 6.771 -1.869 6.196 300 HA TYR 44 HA TYR 44 4.989 0.139 7.343 301 1HB TYR 44 1HB TYR 44 6.084 -2.302 8.778 302 2HB TYR 44 2HB TYR 44 4.457 -1.654 8.834 303 HD1 TYR 44 1HD TYR 44 6.280 -4.392 7.812 304 HD2 TYR 44 2HD TYR 44 3.284 -1.720 6.332 305 HE1 TYR 44 1HE TYR 44 5.514 -6.159 6.152 306 HE2 TYR 44 2HE TYR 44 2.529 -3.496 4.677 307 HH TYR 44 HH TYR 44 4.265 -5.940 3.740 308 H GLY 45 H GLY 45 5.443 0.836 9.644 309 1HA GLY 45 1HA GLY 45 7.586 0.672 11.159 310 2HA GLY 45 2HA GLY 45 8.258 1.606 9.837 311 H GLU 46 H GLU 46 7.857 2.457 12.642 312 HA GLU 46 HA GLU 46 7.181 4.179 13.777 313 1HB GLU 46 1HB GLU 46 6.489 5.435 11.084 314 2HB GLU 46 2HB GLU 46 6.701 6.305 12.591 315 1HG GLU 46 1HG GLU 46 8.946 4.501 11.705 316 2HG GLU 46 2HG GLU 46 8.714 5.994 10.817 317 H GLY 47 H GLY 47 5.273 5.226 14.719 318 1HA GLY 47 1HA GLY 47 3.038 5.564 15.022 319 2HA GLY 47 2HA GLY 47 2.694 4.756 13.505 320 H GLY 48 H GLY 48 3.861 2.244 13.784 321 1HA GLY 48 1HA GLY 48 3.924 0.662 15.803 322 2HA GLY 48 2HA GLY 48 2.238 1.111 15.966 323 H ASN 49 H ASN 49 1.105 1.125 13.540 324 HA ASN 49 HA ASN 49 2.034 -1.177 12.085 325 1HB ASN 49 1HB ASN 49 -0.376 -2.110 12.106 326 2HB ASN 49 2HB ASN 49 0.526 -2.301 13.597 327 1HD2 ASN 49 1HD2 ASN 49 0.025 -1.104 15.401 328 2HD2 ASN 49 2HD2 ASN 49 -1.443 -0.201 15.577 329 H GLY 50 H GLY 50 2.277 0.058 10.167 330 1HA GLY 50 1HA GLY 50 -0.035 0.751 8.695 331 2HA GLY 50 2HA GLY 50 0.679 2.197 9.378 332 H PHE 51 H PHE 51 1.659 3.178 7.625 333 HA PHE 51 HA PHE 51 3.665 1.544 6.241 334 1HB PHE 51 1HB PHE 51 1.502 2.172 4.951 335 2HB PHE 51 2HB PHE 51 1.949 3.854 5.154 336 HD1 PHE 51 1HD PHE 51 3.376 0.662 3.843 337 HD2 PHE 51 2HD PHE 51 3.149 4.883 3.470 338 HE1 PHE 51 1HE PHE 51 4.747 0.551 1.744 339 HE2 PHE 51 2HE PHE 51 4.521 4.771 1.371 340 HZ PHE 51 HZ PHE 51 5.303 2.607 0.533 341 H GLN 52 H GLN 52 5.589 2.683 5.532 342 HA GLN 52 HA GLN 52 5.838 5.379 6.546 343 1HB GLN 52 1HB GLN 52 6.895 3.133 7.935 344 2HB GLN 52 2HB GLN 52 8.268 3.894 7.157 345 1HG GLN 52 1HG GLN 52 6.225 5.518 8.726 346 2HG GLN 52 2HG GLN 52 7.592 4.757 9.515 347 1HE2 GLN 52 1HE2 GLN 52 9.741 5.281 8.792 348 2HE2 GLN 52 2HE2 GLN 52 10.095 6.848 8.144 349 H CYS 53 H CYS 53 7.597 6.591 5.527 350 HA CYS 53 HA CYS 53 8.522 5.265 3.082 351 1HB CYS 53 1HB CYS 53 7.586 8.068 3.600 352 2HB CYS 53 2HB CYS 53 8.739 7.757 2.317 353 HA PRO 54 HA PRO 54 12.414 6.001 4.983 354 1HB PRO 54 1HB PRO 54 13.984 4.819 3.083 355 2HB PRO 54 2HB PRO 54 13.204 3.925 4.373 356 1HG PRO 54 1HG PRO 54 12.472 4.069 1.512 357 2HG PRO 54 2HG PRO 54 11.991 2.885 2.710 358 1HD PRO 54 1HD PRO 54 10.398 5.042 1.693 359 2HD PRO 54 2HD PRO 54 9.960 3.928 2.972 360 H THR 55 H THR 55 14.785 6.680 4.040 361 HA THR 55 HA THR 55 14.384 9.363 3.332 362 HB THR 55 HB THR 55 16.775 7.460 3.318 363 HG1 THR 55 1HG THR 55 15.678 9.670 4.904 364 1HG2 THR 55 1HG2 THR 55 17.950 9.072 2.192 365 2HG2 THR 55 2HG2 THR 55 16.551 10.172 2.194 366 3HG2 THR 55 3HG2 THR 55 17.656 10.135 3.588 367 H GLY 56 H GLY 56 14.302 10.476 1.442 368 1HA GLY 56 1HA GLY 56 14.537 10.820 -0.813 369 2HA GLY 56 2HA GLY 56 15.012 9.148 -1.041 370 H TYR 57 H TYR 57 12.317 9.062 0.971 371 HA TYR 57 HA TYR 57 10.472 8.966 -1.318 372 1HB TYR 57 1HB TYR 57 11.059 7.089 1.035 373 2HB TYR 57 2HB TYR 57 9.482 7.047 0.270 374 HD1 TYR 57 1HD TYR 57 12.659 5.588 0.281 375 HD2 TYR 57 2HD TYR 57 9.594 6.862 -2.420 376 HE1 TYR 57 1HE TYR 57 13.553 4.001 -1.493 377 HE2 TYR 57 2HE TYR 57 10.499 5.271 -4.185 378 HH TYR 57 HH TYR 57 11.893 3.663 -4.609 379 H ARG 58 H ARG 58 8.327 9.642 -0.919 380 HA ARG 58 HA ARG 58 7.808 10.549 1.778 381 1HB ARG 58 1HB ARG 58 7.966 12.242 -0.702 382 2HB ARG 58 2HB ARG 58 6.643 12.595 0.392 383 1HG ARG 58 1HG ARG 58 8.231 12.881 2.274 384 2HG ARG 58 2HG ARG 58 9.573 12.429 1.242 385 1HD ARG 58 1HD ARG 58 9.783 14.681 0.879 386 2HD ARG 58 2HD ARG 58 8.460 14.466 -0.248 387 HE ARG 58 HE ARG 58 7.271 14.809 2.290 388 1HH1 ARG 58 1HH1 ARG 58 9.308 16.709 0.102 389 2HH1 ARG 58 2HH1 ARG 58 8.697 18.233 0.655 390 1HH2 ARG 58 1HH2 ARG 58 7.026 18.272 2.372 391 H GLN 59 H GLN 59 5.978 9.395 2.322 392 HA GLN 59 HA GLN 59 4.383 7.980 0.808 393 1HB GLN 59 1HB GLN 59 2.622 8.233 2.501 394 2HB GLN 59 2HB GLN 59 4.194 8.175 3.276 395 1HG GLN 59 1HG GLN 59 3.847 10.910 2.773 396 2HG GLN 59 2HG GLN 59 2.228 10.381 3.184 397 1HE2 GLN 59 1HE2 GLN 59 5.604 9.900 4.213 398 2HE2 GLN 59 2HE2 GLN 59 5.323 9.947 5.921 399 H CYS 60 H CYS 60 2.971 8.242 -0.880 400 HA CYS 60 HA CYS 60 2.497 10.900 -1.808 401 1HB CYS 60 1HB CYS 60 2.605 8.326 -2.945 402 2HB CYS 60 2HB CYS 60 0.958 8.880 -3.183 Start of MODEL 3 1 1H ASP 1 1H ASP 1 -21.058 -9.256 -7.742 2 HA ASP 1 HA ASP 1 -22.542 -7.539 -7.079 3 1HB ASP 1 1HB ASP 1 -22.546 -10.218 -5.950 4 2HB ASP 1 2HB ASP 1 -23.264 -9.116 -4.792 5 H ARG 2 H ARG 2 -20.843 -9.003 -4.194 6 HA ARG 2 HA ARG 2 -20.988 -6.363 -2.974 7 1HB ARG 2 1HB ARG 2 -20.507 -8.836 -1.311 8 2HB ARG 2 2HB ARG 2 -21.334 -7.356 -0.869 9 1HG ARG 2 1HG ARG 2 -23.217 -7.991 -2.442 10 2HG ARG 2 2HG ARG 2 -22.403 -9.512 -2.752 11 1HD ARG 2 1HD ARG 2 -22.729 -8.908 0.141 12 2HD ARG 2 2HD ARG 2 -24.247 -9.074 -0.717 13 HE ARG 2 HE ARG 2 -22.817 -11.250 -1.623 14 1HH1 ARG 2 1HH1 ARG 2 -23.551 -10.040 1.625 15 2HH1 ARG 2 2HH1 ARG 2 -23.515 -11.612 2.354 16 1HH2 ARG 2 1HH2 ARG 2 -23.051 -13.527 0.989 17 H CYS 3 H CYS 3 -19.096 -5.782 -1.545 18 HA CYS 3 HA CYS 3 -16.960 -5.889 -0.892 19 1HB CYS 3 1HB CYS 3 -15.763 -7.765 -0.965 20 2HB CYS 3 2HB CYS 3 -17.229 -8.492 -1.593 21 H ARG 4 H ARG 4 -15.316 -4.517 -1.677 22 HA ARG 4 HA ARG 4 -15.552 -3.922 -4.517 23 1HB ARG 4 1HB ARG 4 -14.644 -2.136 -2.203 24 2HB ARG 4 2HB ARG 4 -14.620 -1.647 -3.885 25 1HG ARG 4 1HG ARG 4 -16.872 -1.262 -3.930 26 2HG ARG 4 2HG ARG 4 -17.238 -2.754 -3.085 27 1HD ARG 4 1HD ARG 4 -15.940 -0.986 -1.207 28 2HD ARG 4 2HD ARG 4 -17.188 -0.067 -2.025 29 HE ARG 4 HE ARG 4 -17.655 -2.030 -0.036 30 1HH1 ARG 4 1HH1 ARG 4 -18.878 -1.224 -3.261 31 2HH1 ARG 4 2HH1 ARG 4 -20.448 -1.894 -2.969 32 1HH2 ARG 4 1HH2 ARG 4 -20.925 -2.883 -0.839 33 H TYR 5 H TYR 5 -13.947 -5.377 -5.304 34 HA TYR 5 HA TYR 5 -11.648 -6.196 -4.278 35 1HB TYR 5 1HB TYR 5 -10.824 -5.812 -6.789 36 2HB TYR 5 2HB TYR 5 -12.215 -6.844 -6.522 37 HD1 TYR 5 1HD TYR 5 -14.481 -6.087 -7.099 38 HD2 TYR 5 2HD TYR 5 -11.068 -3.606 -7.808 39 HE1 TYR 5 1HE TYR 5 -15.866 -4.608 -8.634 40 HE2 TYR 5 2HE TYR 5 -12.465 -2.136 -9.343 41 HH TYR 5 HH TYR 5 -14.363 -2.041 -10.502 42 H THR 6 H THR 6 -10.446 -4.911 -2.877 43 HA THR 6 HA THR 6 -9.374 -2.424 -4.030 44 HB THR 6 HB THR 6 -8.871 -2.223 -1.368 45 HG1 THR 6 1HG THR 6 -10.576 -3.408 -0.291 46 1HG2 THR 6 1HG2 THR 6 -11.233 -1.531 -3.058 47 2HG2 THR 6 2HG2 THR 6 -11.566 -1.606 -1.312 48 3HG2 THR 6 3HG2 THR 6 -10.312 -0.506 -1.933 49 H LEU 7 H LEU 7 -7.144 -1.952 -3.877 50 HA LEU 7 HA LEU 7 -5.543 -4.333 -4.029 51 1HB LEU 7 1HB LEU 7 -5.049 -1.402 -4.498 52 2HB LEU 7 2HB LEU 7 -3.739 -2.566 -4.486 53 HG LEU 7 HG LEU 7 -5.883 -3.473 -6.215 54 1HD1 LEU 7 1HD1 LEU 7 -6.125 -1.786 -7.759 55 2HD1 LEU 7 2HD1 LEU 7 -6.083 -0.860 -6.239 56 3HD1 LEU 7 3HD1 LEU 7 -4.628 -0.961 -7.261 57 1HD2 LEU 7 1HD2 LEU 7 -4.169 -4.112 -7.571 58 2HD2 LEU 7 2HD2 LEU 7 -3.214 -2.644 -7.252 59 3HD2 LEU 7 3HD2 LEU 7 -3.272 -3.948 -6.042 60 H CYS 8 H CYS 8 -4.521 -5.269 -2.348 61 HA CYS 8 HA CYS 8 -3.727 -3.516 -0.151 62 1HB CYS 8 1HB CYS 8 -5.224 -6.128 0.105 63 2HB CYS 8 2HB CYS 8 -4.355 -5.378 1.429 64 H CYS 9 H CYS 9 -2.092 -4.833 1.317 65 HA CYS 9 HA CYS 9 -0.393 -6.359 -0.515 66 1HB CYS 9 1HB CYS 9 0.180 -4.364 1.615 67 2HB CYS 9 2HB CYS 9 1.299 -5.705 1.463 68 H ASP 10 H ASP 10 0.472 -8.376 0.242 69 HA ASP 10 HA ASP 10 -1.119 -9.529 2.331 70 1HB ASP 10 1HB ASP 10 -0.893 -11.016 0.527 71 2HB ASP 10 2HB ASP 10 0.758 -10.527 0.194 72 H GLY 11 H GLY 11 1.903 -7.924 1.936 73 1HA GLY 11 1HA GLY 11 3.402 -7.394 3.586 74 2HA GLY 11 2HA GLY 11 2.732 -8.638 4.623 75 H ALA 12 H ALA 12 2.872 -10.638 2.266 76 HA ALA 12 HA ALA 12 5.727 -10.893 1.881 77 1HB ALA 12 1HB ALA 12 5.146 -13.432 2.764 78 2HB ALA 12 2HB ALA 12 5.939 -12.174 3.743 79 3HB ALA 12 3HB ALA 12 4.184 -12.434 3.881 80 H LEU 13 H LEU 13 4.756 -10.384 -0.294 81 HA LEU 13 HA LEU 13 4.626 -12.639 -1.859 82 1HB LEU 13 1HB LEU 13 2.583 -13.325 -0.991 83 2HB LEU 13 2HB LEU 13 1.948 -11.694 -0.898 84 HG LEU 13 HG LEU 13 2.422 -12.096 -3.629 85 1HD1 LEU 13 1HD1 LEU 13 2.340 -14.634 -2.502 86 2HD1 LEU 13 2HD1 LEU 13 0.690 -14.378 -3.120 87 3HD1 LEU 13 3HD1 LEU 13 2.085 -14.216 -4.213 88 1HD2 LEU 13 1HD2 LEU 13 0.123 -11.757 -1.814 89 2HD2 LEU 13 2HD2 LEU 13 0.536 -10.916 -3.327 90 3HD2 LEU 13 3HD2 LEU 13 -0.256 -12.508 -3.382 91 H LYS 14 H LYS 14 2.197 -10.079 -2.350 92 HA LYS 14 HA LYS 14 3.816 -8.136 -3.452 93 1HB LYS 14 1HB LYS 14 4.008 -10.343 -5.059 94 2HB LYS 14 2HB LYS 14 2.678 -9.491 -5.818 95 1HG LYS 14 1HG LYS 14 5.486 -8.440 -5.280 96 2HG LYS 14 2HG LYS 14 4.715 -8.671 -6.836 97 1HD LYS 14 1HD LYS 14 3.532 -6.769 -4.779 98 2HD LYS 14 2HD LYS 14 4.821 -6.249 -5.846 99 1HE LYS 14 1HE LYS 14 2.704 -7.654 -7.330 100 2HE LYS 14 2HE LYS 14 2.062 -6.288 -6.441 101 1HZ LYS 14 1HZ LYS 14 3.746 -4.876 -7.489 102 2HZ LYS 14 2HZ LYS 14 4.387 -6.142 -8.287 103 H ALA 15 H ALA 15 2.516 -6.415 -3.156 104 HA ALA 15 HA ALA 15 -0.049 -6.384 -2.477 105 1HB ALA 15 1HB ALA 15 1.787 -4.496 -3.020 106 2HB ALA 15 2HB ALA 15 0.762 -4.295 -4.462 107 3HB ALA 15 3HB ALA 15 0.058 -4.117 -2.837 108 H VAL 16 H VAL 16 -1.990 -6.975 -3.318 109 HA VAL 16 HA VAL 16 -2.326 -6.884 -6.201 110 HB VAL 16 HB VAL 16 -1.420 -9.152 -5.488 111 1HG1 VAL 16 1HG1 VAL 16 -3.229 -10.719 -4.628 112 2HG1 VAL 16 2HG1 VAL 16 -2.561 -9.567 -3.446 113 3HG1 VAL 16 3HG1 VAL 16 -4.152 -9.262 -4.185 114 1HG2 VAL 16 1HG2 VAL 16 -4.096 -9.602 -6.723 115 2HG2 VAL 16 2HG2 VAL 16 -3.010 -8.444 -7.529 116 3HG2 VAL 16 3HG2 VAL 16 -2.480 -10.122 -7.259 117 H SER 17 H SER 17 -4.798 -7.745 -6.581 118 HA SER 17 HA SER 17 -6.302 -5.975 -4.898 119 1HB SER 17 1HB SER 17 -7.541 -7.607 -7.110 120 2HB SER 17 2HB SER 17 -7.926 -5.977 -6.593 121 HG SER 17 HG SER 17 -6.531 -5.209 -8.017 122 H ALA 18 H ALA 18 -7.919 -6.608 -3.430 123 HA ALA 18 HA ALA 18 -8.396 -9.499 -3.232 124 1HB ALA 18 1HB ALA 18 -7.288 -7.589 -1.255 125 2HB ALA 18 2HB ALA 18 -8.604 -8.619 -0.643 126 3HB ALA 18 3HB ALA 18 -7.143 -9.361 -1.340 127 H CYS 19 H CYS 19 -10.528 -10.102 -2.700 128 HA CYS 19 HA CYS 19 -12.442 -7.988 -3.155 129 1HB CYS 19 1HB CYS 19 -12.841 -9.913 -4.445 130 2HB CYS 19 2HB CYS 19 -12.603 -10.993 -3.085 131 H LEU 20 H LEU 20 -11.991 -6.886 -1.059 132 HA LEU 20 HA LEU 20 -13.033 -8.389 1.236 133 1HB LEU 20 1HB LEU 20 -10.687 -6.879 0.889 134 2HB LEU 20 2HB LEU 20 -11.734 -5.899 1.897 135 HG LEU 20 HG LEU 20 -12.030 -8.044 3.325 136 1HD1 LEU 20 1HD1 LEU 20 -9.575 -9.214 3.070 137 2HD1 LEU 20 2HD1 LEU 20 -11.094 -9.860 2.404 138 3HD1 LEU 20 3HD1 LEU 20 -10.005 -8.904 1.370 139 1HD2 LEU 20 1HD2 LEU 20 -9.375 -6.580 3.278 140 2HD2 LEU 20 2HD2 LEU 20 -10.868 -6.028 4.076 141 3HD2 LEU 20 3HD2 LEU 20 -10.046 -7.500 4.647 142 H HIS 21 H HIS 21 -14.424 -7.168 2.767 143 HA HIS 21 HA HIS 21 -16.169 -5.416 1.230 144 1HB HIS 21 1HB HIS 21 -16.730 -6.656 3.929 145 2HB HIS 21 2HB HIS 21 -17.878 -5.962 2.802 146 HD1 HIS 21 1HD HIS 21 -17.644 -7.339 0.252 147 HD2 HIS 21 2HD HIS 21 -16.845 -9.370 3.835 148 HE1 HIS 21 1HE HIS 21 -17.893 -9.826 -0.264 149 H GLU 22 H GLU 22 -17.327 -3.701 2.807 150 HA GLU 22 HA GLU 22 -15.277 -1.932 3.496 151 1HB GLU 22 1HB GLU 22 -18.243 -1.945 3.470 152 2HB GLU 22 2HB GLU 22 -17.551 -0.891 4.687 153 1HG GLU 22 1HG GLU 22 -16.060 0.104 2.870 154 2HG GLU 22 2HG GLU 22 -16.943 -0.850 1.694 155 H SER 23 H SER 23 -17.172 -4.336 5.289 156 HA SER 23 HA SER 23 -16.482 -3.251 7.822 157 1HB SER 23 1HB SER 23 -18.252 -5.277 6.783 158 2HB SER 23 2HB SER 23 -17.254 -6.018 8.019 159 HG SER 23 HG SER 23 -18.313 -3.463 8.647 160 H GLU 24 H GLU 24 -14.584 -4.565 5.496 161 HA GLU 24 HA GLU 24 -12.932 -5.930 7.477 162 1HB GLU 24 1HB GLU 24 -14.052 -7.331 5.544 163 2HB GLU 24 2HB GLU 24 -12.822 -6.610 4.527 164 1HG GLU 24 1HG GLU 24 -11.677 -8.510 5.228 165 2HG GLU 24 2HG GLU 24 -11.177 -7.391 6.480 166 H SER 25 H SER 25 -10.589 -5.671 7.203 167 HA SER 25 HA SER 25 -9.863 -3.571 5.340 168 1HB SER 25 1HB SER 25 -10.144 -3.164 8.144 169 2HB SER 25 2HB SER 25 -8.418 -3.240 7.850 170 HG SER 25 HG SER 25 -10.245 -1.566 6.348 171 H CYS 26 H CYS 26 -7.734 -3.792 4.511 172 HA CYS 26 HA CYS 26 -6.283 -6.119 5.546 173 1HB CYS 26 1HB CYS 26 -5.380 -5.993 3.022 174 2HB CYS 26 2HB CYS 26 -6.722 -6.997 3.537 175 H LEU 27 H LEU 27 -3.824 -5.909 4.752 176 HA LEU 27 HA LEU 27 -2.889 -3.454 5.842 177 1HB LEU 27 1HB LEU 27 -1.935 -5.923 5.860 178 2HB LEU 27 2HB LEU 27 -1.111 -5.378 4.412 179 HG LEU 27 HG LEU 27 0.455 -4.964 6.054 180 1HD1 LEU 27 1HD1 LEU 27 -1.056 -2.338 6.032 181 2HD1 LEU 27 2HD1 LEU 27 0.688 -2.587 6.289 182 3HD1 LEU 27 3HD1 LEU 27 -0.035 -2.927 4.698 183 1HD2 LEU 27 1HD2 LEU 27 -1.581 -3.766 7.938 184 2HD2 LEU 27 2HD2 LEU 27 -1.188 -5.503 7.913 185 3HD2 LEU 27 3HD2 LEU 27 0.078 -4.309 8.288 186 H VAL 28 H VAL 28 -3.620 -1.744 4.530 187 HA VAL 28 HA VAL 28 -3.378 -1.755 1.739 188 HB VAL 28 HB VAL 28 -3.611 0.463 3.779 189 1HG1 VAL 28 1HG1 VAL 28 -2.600 1.064 1.457 190 2HG1 VAL 28 2HG1 VAL 28 -4.253 0.796 0.852 191 3HG1 VAL 28 3HG1 VAL 28 -3.948 2.037 2.092 192 1HG2 VAL 28 1HG2 VAL 28 -5.973 0.514 3.034 193 2HG2 VAL 28 2HG2 VAL 28 -5.656 -0.887 1.983 194 3HG2 VAL 28 3HG2 VAL 28 -5.518 -1.051 3.751 195 HA PRO 29 HA PRO 29 0.842 -0.919 1.275 196 1HB PRO 29 1HB PRO 29 0.880 -0.049 -1.315 197 2HB PRO 29 2HB PRO 29 0.835 -1.744 -0.874 198 1HG PRO 29 1HG PRO 29 -1.344 -0.043 -1.924 199 2HG PRO 29 2HG PRO 29 -1.240 -1.793 -1.880 200 1HD PRO 29 1HD PRO 29 -2.789 -0.123 -0.138 201 2HD PRO 29 2HD PRO 29 -2.593 -1.860 -0.023 202 H GLY 30 H GLY 30 2.271 0.939 -0.057 203 1HA GLY 30 1HA GLY 30 1.154 3.527 0.725 204 2HA GLY 30 2HA GLY 30 2.614 3.001 1.540 205 H ASP 31 H ASP 31 2.107 5.271 -0.411 206 HA ASP 31 HA ASP 31 3.814 4.381 -2.584 207 1HB ASP 31 1HB ASP 31 2.172 6.933 -2.235 208 2HB ASP 31 2HB ASP 31 3.136 6.563 -3.651 209 H CYS 32 H CYS 32 5.963 5.099 -2.616 210 HA CYS 32 HA CYS 32 6.686 7.067 -0.589 211 1HB CYS 32 1HB CYS 32 8.277 4.959 -2.047 212 2HB CYS 32 2HB CYS 32 9.040 6.239 -1.124 213 H CYS 33 H CYS 33 7.197 9.131 -1.256 214 HA CYS 33 HA CYS 33 7.440 9.545 -4.124 215 1HB CYS 33 1HB CYS 33 6.350 11.058 -1.896 216 2HB CYS 33 2HB CYS 33 7.465 12.027 -2.841 217 H ARG 34 H ARG 34 9.396 10.164 -5.052 218 HA ARG 34 HA ARG 34 11.491 10.922 -3.188 219 1HB ARG 34 1HB ARG 34 11.682 8.485 -3.973 220 2HB ARG 34 2HB ARG 34 11.920 9.094 -5.600 221 1HG ARG 34 1HG ARG 34 13.963 10.252 -4.962 222 2HG ARG 34 2HG ARG 34 13.663 9.974 -3.257 223 1HD ARG 34 1HD ARG 34 13.689 7.462 -4.820 224 2HD ARG 34 2HD ARG 34 15.199 8.342 -4.945 225 HE ARG 34 HE ARG 34 14.104 8.048 -2.210 226 1HH1 ARG 34 1HH1 ARG 34 16.382 6.849 -4.644 227 2HH1 ARG 34 2HH1 ARG 34 17.366 6.012 -3.490 228 1HH2 ARG 34 1HH2 ARG 34 16.771 6.081 -1.170 229 H GLY 35 H GLY 35 11.374 13.142 -3.788 230 1HA GLY 35 1HA GLY 35 11.924 14.952 -5.009 231 2HA GLY 35 2HA GLY 35 12.749 13.899 -6.141 232 H LYS 36 H LYS 36 11.521 12.878 -7.905 233 HA LYS 36 HA LYS 36 8.870 14.031 -8.322 234 1HB LYS 36 1HB LYS 36 9.381 14.792 -10.523 235 2HB LYS 36 2HB LYS 36 10.565 15.490 -9.436 236 1HG LYS 36 1HG LYS 36 12.288 13.991 -10.150 237 2HG LYS 36 2HG LYS 36 11.145 12.872 -10.865 238 1HD LYS 36 1HD LYS 36 11.899 13.947 -12.788 239 2HD LYS 36 2HD LYS 36 10.517 14.956 -12.408 240 1HE LYS 36 1HE LYS 36 12.822 15.917 -10.919 241 2HE LYS 36 2HE LYS 36 13.267 15.745 -12.606 242 1HZ LYS 36 1HZ LYS 36 11.404 17.602 -11.415 243 2HZ LYS 36 2HZ LYS 36 12.236 17.737 -12.808 244 H SER 37 H SER 37 10.081 11.366 -7.492 245 HA SER 37 HA SER 37 8.873 9.863 -9.676 246 1HB SER 37 1HB SER 37 11.508 9.467 -8.302 247 2HB SER 37 2HB SER 37 10.591 8.017 -8.660 248 HG SER 37 HG SER 37 10.820 9.936 -10.747 249 H ARG 38 H ARG 38 7.124 8.679 -8.987 250 HA ARG 38 HA ARG 38 6.821 8.410 -6.129 251 1HB ARG 38 1HB ARG 38 4.438 7.635 -6.877 252 2HB ARG 38 2HB ARG 38 4.849 9.324 -7.092 253 1HG ARG 38 1HG ARG 38 4.910 9.169 -9.398 254 2HG ARG 38 2HG ARG 38 5.571 7.546 -9.382 255 1HD ARG 38 1HD ARG 38 2.665 8.314 -8.830 256 2HD ARG 38 2HD ARG 38 3.267 7.498 -10.258 257 HE ARG 38 HE ARG 38 4.023 6.007 -7.913 258 1HH1 ARG 38 1HH1 ARG 38 1.187 6.747 -9.904 259 2HH1 ARG 38 2HH1 ARG 38 0.363 5.279 -9.495 260 1HH2 ARG 38 1HH2 ARG 38 1.410 3.720 -8.008 261 H LEU 39 H LEU 39 6.318 6.331 -5.136 262 HA LEU 39 HA LEU 39 6.658 4.009 -6.873 263 1HB LEU 39 1HB LEU 39 8.401 4.806 -4.575 264 2HB LEU 39 2HB LEU 39 8.098 3.106 -4.876 265 HG LEU 39 HG LEU 39 10.161 3.694 -5.920 266 1HD1 LEU 39 1HD1 LEU 39 9.830 2.870 -8.087 267 2HD1 LEU 39 2HD1 LEU 39 8.464 2.218 -7.151 268 3HD1 LEU 39 3HD1 LEU 39 8.220 3.614 -8.227 269 1HD2 LEU 39 1HD2 LEU 39 9.233 5.594 -7.921 270 2HD2 LEU 39 2HD2 LEU 39 9.039 6.213 -6.264 271 3HD2 LEU 39 3HD2 LEU 39 10.637 5.669 -6.829 272 H THR 40 H THR 40 5.960 1.960 -5.734 273 HA THR 40 HA THR 40 4.177 2.448 -3.477 274 HB THR 40 HB THR 40 3.362 1.522 -6.267 275 HG1 THR 40 1HG THR 40 1.951 3.307 -5.905 276 1HG2 THR 40 1HG2 THR 40 1.260 0.747 -5.400 277 2HG2 THR 40 2HG2 THR 40 2.475 -0.033 -4.360 278 3HG2 THR 40 3HG2 THR 40 1.598 1.404 -3.780 279 H LEU 41 H LEU 41 4.736 1.041 -1.951 280 HA LEU 41 HA LEU 41 5.056 -1.727 -2.707 281 1HB LEU 41 1HB LEU 41 7.270 -0.713 -1.027 282 2HB LEU 41 2HB LEU 41 7.233 -2.032 -2.180 283 HG LEU 41 HG LEU 41 7.109 0.815 -3.146 284 1HD1 LEU 41 1HD1 LEU 41 9.581 -0.680 -2.255 285 2HD1 LEU 41 2HD1 LEU 41 9.621 0.700 -3.378 286 3HD1 LEU 41 3HD1 LEU 41 9.004 0.916 -1.723 287 1HD2 LEU 41 1HD2 LEU 41 7.322 -0.074 -5.174 288 2HD2 LEU 41 2HD2 LEU 41 8.684 -1.102 -4.666 289 3HD2 LEU 41 3HD2 LEU 41 7.011 -1.654 -4.416 290 H CYS 42 H CYS 42 5.655 -2.961 -0.457 291 HA CYS 42 HA CYS 42 3.671 -1.902 1.402 292 1HB CYS 42 1HB CYS 42 4.756 -4.667 1.649 293 2HB CYS 42 2HB CYS 42 3.164 -4.045 2.036 294 H SER 43 H SER 43 4.465 -0.907 3.222 295 HA SER 43 HA SER 43 6.726 -2.044 4.529 296 1HB SER 43 1HB SER 43 8.058 0.067 4.541 297 2HB SER 43 2HB SER 43 7.908 -0.620 2.935 298 HG SER 43 HG SER 43 6.755 1.752 4.010 299 H TYR 44 H TYR 44 5.708 -2.227 6.510 300 HA TYR 44 HA TYR 44 4.075 0.021 7.414 301 1HB TYR 44 1HB TYR 44 4.528 -2.579 8.916 302 2HB TYR 44 2HB TYR 44 3.035 -1.680 8.741 303 HD1 TYR 44 1HD TYR 44 3.854 -4.751 8.279 304 HD2 TYR 44 2HD TYR 44 2.979 -1.436 5.721 305 HE1 TYR 44 1HE TYR 44 3.100 -6.351 6.451 306 HE2 TYR 44 2HE TYR 44 2.228 -3.046 3.902 307 HH TYR 44 HH TYR 44 1.728 -6.376 4.539 308 H GLY 45 H GLY 45 4.264 0.700 9.727 309 1HA GLY 45 1HA GLY 45 6.881 0.192 10.938 310 2HA GLY 45 2HA GLY 45 6.497 1.841 10.488 311 H GLU 46 H GLU 46 6.879 0.503 13.198 312 HA GLU 46 HA GLU 46 4.217 0.989 14.269 313 1HB GLU 46 1HB GLU 46 5.174 -0.182 16.337 314 2HB GLU 46 2HB GLU 46 4.961 -1.184 14.916 315 1HG GLU 46 1HG GLU 46 7.611 0.166 15.066 316 2HG GLU 46 2HG GLU 46 7.313 -0.975 16.363 317 H GLY 47 H GLY 47 3.919 2.455 16.040 318 1HA GLY 47 1HA GLY 47 4.320 4.301 17.255 319 2HA GLY 47 2HA GLY 47 5.980 3.761 17.404 320 H GLY 48 H GLY 48 4.146 4.629 14.406 321 1HA GLY 48 1HA GLY 48 5.725 7.079 14.137 322 2HA GLY 48 2HA GLY 48 5.942 5.837 12.919 323 H ASN 49 H ASN 49 4.464 5.643 11.248 324 HA ASN 49 HA ASN 49 1.865 6.818 11.625 325 1HB ASN 49 1HB ASN 49 3.936 7.804 9.621 326 2HB ASN 49 2HB ASN 49 2.228 7.948 9.254 327 1HD2 ASN 49 1HD2 ASN 49 4.888 9.143 11.036 328 2HD2 ASN 49 2HD2 ASN 49 4.103 10.433 11.882 329 H GLY 50 H GLY 50 1.310 4.479 11.424 330 1HA GLY 50 1HA GLY 50 0.988 2.513 10.329 331 2HA GLY 50 2HA GLY 50 0.308 3.585 9.120 332 H PHE 51 H PHE 51 1.213 3.608 7.095 333 HA PHE 51 HA PHE 51 3.267 1.814 6.487 334 1HB PHE 51 1HB PHE 51 1.464 2.627 4.933 335 2HB PHE 51 2HB PHE 51 2.077 4.264 5.056 336 HD1 PHE 51 1HD PHE 51 2.923 0.871 3.829 337 HD2 PHE 51 2HD PHE 51 3.784 5.022 3.620 338 HE1 PHE 51 1HE PHE 51 4.401 0.466 1.840 339 HE2 PHE 51 2HE PHE 51 5.261 4.616 1.632 340 HZ PHE 51 HZ PHE 51 5.551 2.343 0.765 341 H GLN 52 H GLN 52 5.438 2.186 5.725 342 HA GLN 52 HA GLN 52 6.489 4.751 6.639 343 1HB GLN 52 1HB GLN 52 7.071 2.410 7.840 344 2HB GLN 52 2HB GLN 52 8.259 2.322 6.553 345 1HG GLN 52 1HG GLN 52 8.378 4.995 7.566 346 2HG GLN 52 2HG GLN 52 8.302 3.947 8.968 347 1HE2 GLN 52 1HE2 GLN 52 10.411 4.418 9.536 348 2HE2 GLN 52 2HE2 GLN 52 11.787 3.768 8.708 349 H CYS 53 H CYS 53 9.112 4.515 5.624 350 HA CYS 53 HA CYS 53 8.889 3.793 2.847 351 1HB CYS 53 1HB CYS 53 8.846 6.617 3.774 352 2HB CYS 53 2HB CYS 53 9.898 6.247 2.421 353 HA PRO 54 HA PRO 54 13.128 3.160 3.623 354 1HB PRO 54 1HB PRO 54 14.201 3.214 1.110 355 2HB PRO 54 2HB PRO 54 13.363 1.821 1.765 356 1HG PRO 54 1HG PRO 54 12.417 3.782 -0.235 357 2HG PRO 54 2HG PRO 54 11.794 2.181 0.113 358 1HD PRO 54 1HD PRO 54 10.644 4.684 0.917 359 2HD PRO 54 2HD PRO 54 10.087 3.083 1.362 360 H THR 55 H THR 55 15.413 3.970 3.422 361 HA THR 55 HA THR 55 15.346 6.724 4.045 362 HB THR 55 HB THR 55 16.966 4.840 4.824 363 HG1 THR 55 1HG THR 55 18.023 7.307 3.634 364 1HG2 THR 55 1HG2 THR 55 18.296 5.686 2.195 365 2HG2 THR 55 2HG2 THR 55 19.062 4.714 3.473 366 3HG2 THR 55 3HG2 THR 55 17.687 4.053 2.558 367 H GLY 56 H GLY 56 15.446 8.511 2.830 368 1HA GLY 56 1HA GLY 56 16.321 9.756 1.049 369 2HA GLY 56 2HA GLY 56 16.566 8.288 0.124 370 H TYR 57 H TYR 57 13.615 7.738 1.498 371 HA TYR 57 HA TYR 57 12.221 8.980 -0.776 372 1HB TYR 57 1HB TYR 57 12.009 6.396 0.851 373 2HB TYR 57 2HB TYR 57 10.594 6.976 -0.004 374 HD1 TYR 57 1HD TYR 57 10.447 6.861 -2.425 375 HD2 TYR 57 2HD TYR 57 13.998 5.612 -0.392 376 HE1 TYR 57 1HE TYR 57 11.271 5.728 -4.546 377 HE2 TYR 57 2HE TYR 57 14.810 4.482 -2.521 378 HH TYR 57 HH TYR 57 14.299 4.950 -5.112 379 H ARG 58 H ARG 58 9.779 9.299 -0.307 380 HA ARG 58 HA ARG 58 9.418 10.051 2.469 381 1HB ARG 58 1HB ARG 58 8.560 11.828 0.135 382 2HB ARG 58 2HB ARG 58 8.458 12.219 1.841 383 1HG ARG 58 1HG ARG 58 11.165 11.506 0.711 384 2HG ARG 58 2HG ARG 58 10.500 13.081 0.322 385 1HD ARG 58 1HD ARG 58 11.703 13.507 2.313 386 2HD ARG 58 2HD ARG 58 10.061 13.315 2.896 387 HE ARG 58 HE ARG 58 11.403 10.756 2.857 388 1HH1 ARG 58 1HH1 ARG 58 11.248 13.781 4.696 389 2HH1 ARG 58 2HH1 ARG 58 11.757 13.050 6.181 390 1HH2 ARG 58 1HH2 ARG 58 12.238 10.702 6.228 391 H GLN 59 H GLN 59 6.808 11.195 2.170 392 HA GLN 59 HA GLN 59 5.375 8.801 1.382 393 1HB GLN 59 1HB GLN 59 4.775 11.104 3.254 394 2HB GLN 59 2HB GLN 59 3.463 10.117 2.644 395 1HG GLN 59 1HG GLN 59 5.239 8.158 3.411 396 2HG GLN 59 2HG GLN 59 5.630 9.410 4.572 397 1HE2 GLN 59 1HE2 GLN 59 2.777 7.944 3.021 398 2HE2 GLN 59 2HE2 GLN 59 1.789 7.832 4.439 399 H CYS 60 H CYS 60 4.188 8.755 -0.481 400 HA CYS 60 HA CYS 60 4.040 11.156 -2.030 401 1HB CYS 60 1HB CYS 60 4.011 8.361 -2.535 402 2HB CYS 60 2HB CYS 60 2.505 9.010 -3.153 Start of MODEL 4 1 1H ASP 1 1H ASP 1 -24.549 -3.546 -3.493 2 HA ASP 1 HA ASP 1 -24.475 -4.912 -5.180 3 1HB ASP 1 1HB ASP 1 -22.084 -3.132 -5.710 4 2HB ASP 1 2HB ASP 1 -22.386 -4.479 -6.789 5 H ARG 2 H ARG 2 -20.883 -4.617 -5.153 6 HA ARG 2 HA ARG 2 -20.748 -7.282 -4.010 7 1HB ARG 2 1HB ARG 2 -18.869 -6.461 -6.250 8 2HB ARG 2 2HB ARG 2 -19.274 -8.077 -5.707 9 1HG ARG 2 1HG ARG 2 -21.762 -7.084 -6.469 10 2HG ARG 2 2HG ARG 2 -20.696 -6.322 -7.633 11 1HD ARG 2 1HD ARG 2 -19.832 -8.460 -8.387 12 2HD ARG 2 2HD ARG 2 -20.560 -9.310 -7.039 13 HE ARG 2 HE ARG 2 -22.455 -7.866 -8.787 14 1HH1 ARG 2 1HH1 ARG 2 -20.889 -10.956 -8.041 15 2HH1 ARG 2 2HH1 ARG 2 -22.083 -11.902 -8.866 16 1HH2 ARG 2 1HH2 ARG 2 -23.921 -10.798 -9.938 17 H CYS 3 H CYS 3 -18.475 -7.795 -3.166 18 HA CYS 3 HA CYS 3 -17.592 -5.981 -1.403 19 1HB CYS 3 1HB CYS 3 -15.893 -7.405 -0.951 20 2HB CYS 3 2HB CYS 3 -16.907 -8.472 -1.901 21 H ARG 4 H ARG 4 -15.482 -4.681 -1.382 22 HA ARG 4 HA ARG 4 -15.283 -3.323 -3.933 23 1HB ARG 4 1HB ARG 4 -15.221 -2.488 -1.120 24 2HB ARG 4 2HB ARG 4 -13.807 -1.890 -1.966 25 1HG ARG 4 1HG ARG 4 -15.496 -0.208 -2.251 26 2HG ARG 4 2HG ARG 4 -15.377 -1.028 -3.795 27 1HD ARG 4 1HD ARG 4 -17.361 -2.119 -1.806 28 2HD ARG 4 2HD ARG 4 -17.754 -0.596 -2.580 29 HE ARG 4 HE ARG 4 -17.706 -3.221 -3.844 30 1HH1 ARG 4 1HH1 ARG 4 -17.327 0.246 -4.471 31 2HH1 ARG 4 2HH1 ARG 4 -17.753 0.116 -6.145 32 1HH2 ARG 4 1HH2 ARG 4 -18.301 -2.033 -7.054 33 H TYR 5 H TYR 5 -13.865 -5.028 -4.853 34 HA TYR 5 HA TYR 5 -11.577 -6.015 -3.757 35 1HB TYR 5 1HB TYR 5 -10.887 -5.928 -6.324 36 2HB TYR 5 2HB TYR 5 -12.334 -6.822 -5.899 37 HD1 TYR 5 1HD TYR 5 -14.523 -6.075 -6.593 38 HD2 TYR 5 2HD TYR 5 -11.066 -3.682 -7.381 39 HE1 TYR 5 1HE TYR 5 -15.875 -4.638 -8.195 40 HE2 TYR 5 2HE TYR 5 -12.429 -2.252 -8.982 41 HH TYR 5 HH TYR 5 -15.720 -2.243 -9.030 42 H THR 6 H THR 6 -9.808 -5.058 -2.896 43 HA THR 6 HA THR 6 -8.831 -2.622 -4.228 44 HB THR 6 HB THR 6 -8.654 -3.052 -1.224 45 HG1 THR 6 1HG THR 6 -10.798 -1.995 -2.926 46 1HG2 THR 6 1HG2 THR 6 -8.504 -0.759 -3.187 47 2HG2 THR 6 2HG2 THR 6 -9.196 -0.437 -1.579 48 3HG2 THR 6 3HG2 THR 6 -7.531 -1.052 -1.725 49 H LEU 7 H LEU 7 -6.486 -2.175 -3.717 50 HA LEU 7 HA LEU 7 -5.081 -4.697 -4.007 51 1HB LEU 7 1HB LEU 7 -4.540 -1.835 -4.633 52 2HB LEU 7 2HB LEU 7 -3.165 -2.879 -4.326 53 HG LEU 7 HG LEU 7 -4.789 -4.314 -6.122 54 1HD1 LEU 7 1HD1 LEU 7 -4.724 -1.368 -6.764 55 2HD1 LEU 7 2HD1 LEU 7 -4.838 -2.610 -8.036 56 3HD1 LEU 7 3HD1 LEU 7 -6.103 -2.493 -6.788 57 1HD2 LEU 7 1HD2 LEU 7 -2.232 -2.737 -6.499 58 2HD2 LEU 7 2HD2 LEU 7 -2.404 -4.466 -6.109 59 3HD2 LEU 7 3HD2 LEU 7 -2.904 -3.859 -7.706 60 H CYS 8 H CYS 8 -4.350 -5.732 -2.237 61 HA CYS 8 HA CYS 8 -3.438 -4.033 -0.030 62 1HB CYS 8 1HB CYS 8 -4.904 -6.674 0.116 63 2HB CYS 8 2HB CYS 8 -4.100 -5.925 1.480 64 H CYS 9 H CYS 9 -1.804 -5.355 1.404 65 HA CYS 9 HA CYS 9 -0.004 -6.700 -0.453 66 1HB CYS 9 1HB CYS 9 0.396 -5.174 2.097 67 2HB CYS 9 2HB CYS 9 1.592 -6.351 1.593 68 H ASP 10 H ASP 10 0.932 -8.773 0.152 69 HA ASP 10 HA ASP 10 -0.861 -10.279 1.805 70 1HB ASP 10 1HB ASP 10 -0.300 -11.479 -0.132 71 2HB ASP 10 2HB ASP 10 1.347 -10.879 -0.154 72 H GLY 11 H GLY 11 2.128 -8.555 2.048 73 1HA GLY 11 1HA GLY 11 3.362 -8.208 3.948 74 2HA GLY 11 2HA GLY 11 2.593 -9.579 4.723 75 H ALA 12 H ALA 12 3.123 -11.294 2.215 76 HA ALA 12 HA ALA 12 6.010 -11.446 2.191 77 1HB ALA 12 1HB ALA 12 6.212 -13.560 3.189 78 2HB ALA 12 2HB ALA 12 5.030 -12.739 4.238 79 3HB ALA 12 3HB ALA 12 4.476 -13.914 3.021 80 H LEU 13 H LEU 13 5.259 -10.714 -0.025 81 HA LEU 13 HA LEU 13 5.474 -12.746 -1.842 82 1HB LEU 13 1HB LEU 13 3.440 -13.721 -1.327 83 2HB LEU 13 2HB LEU 13 2.640 -12.185 -1.061 84 HG LEU 13 HG LEU 13 3.369 -12.092 -3.753 85 1HD1 LEU 13 1HD1 LEU 13 1.942 -14.678 -3.610 86 2HD1 LEU 13 2HD1 LEU 13 3.173 -14.098 -4.758 87 3HD1 LEU 13 3HD1 LEU 13 3.665 -14.719 -3.164 88 1HD2 LEU 13 1HD2 LEU 13 1.045 -12.037 -4.175 89 2HD2 LEU 13 2HD2 LEU 13 0.676 -13.001 -2.724 90 3HD2 LEU 13 3HD2 LEU 13 1.266 -11.330 -2.556 91 H LYS 14 H LYS 14 2.888 -10.303 -2.215 92 HA LYS 14 HA LYS 14 4.422 -8.137 -2.932 93 1HB LYS 14 1HB LYS 14 4.895 -10.117 -4.786 94 2HB LYS 14 2HB LYS 14 3.609 -9.208 -5.552 95 1HG LYS 14 1HG LYS 14 5.706 -8.195 -6.225 96 2HG LYS 14 2HG LYS 14 4.917 -7.081 -5.127 97 1HD LYS 14 1HD LYS 14 7.045 -7.088 -4.192 98 2HD LYS 14 2HD LYS 14 6.327 -8.394 -3.272 99 1HE LYS 14 1HE LYS 14 8.056 -9.681 -4.005 100 2HE LYS 14 2HE LYS 14 7.237 -9.715 -5.555 101 1HZ LYS 14 1HZ LYS 14 9.109 -8.715 -6.296 102 2HZ LYS 14 2HZ LYS 14 8.551 -7.340 -5.626 103 H ALA 15 H ALA 15 3.057 -6.400 -3.086 104 HA ALA 15 HA ALA 15 0.486 -6.502 -2.367 105 1HB ALA 15 1HB ALA 15 0.300 -4.275 -3.179 106 2HB ALA 15 2HB ALA 15 2.029 -4.493 -2.815 107 3HB ALA 15 3HB ALA 15 1.457 -4.572 -4.498 108 H VAL 16 H VAL 16 -1.456 -7.161 -3.184 109 HA VAL 16 HA VAL 16 -1.699 -7.451 -6.068 110 HB VAL 16 HB VAL 16 -0.849 -9.599 -4.895 111 1HG1 VAL 16 1HG1 VAL 16 -2.498 -9.473 -3.025 112 2HG1 VAL 16 2HG1 VAL 16 -3.797 -9.800 -4.198 113 3HG1 VAL 16 3HG1 VAL 16 -2.534 -11.021 -3.906 114 1HG2 VAL 16 1HG2 VAL 16 -3.215 -10.456 -6.366 115 2HG2 VAL 16 2HG2 VAL 16 -2.384 -9.104 -7.171 116 3HG2 VAL 16 3HG2 VAL 16 -1.493 -10.597 -6.791 117 H SER 17 H SER 17 -4.202 -8.589 -6.212 118 HA SER 17 HA SER 17 -5.747 -6.488 -4.984 119 1HB SER 17 1HB SER 17 -6.616 -8.604 -7.003 120 2HB SER 17 2HB SER 17 -7.524 -7.175 -6.548 121 HG SER 17 HG SER 17 -6.484 -6.621 -8.448 122 H ALA 18 H ALA 18 -7.648 -6.910 -3.675 123 HA ALA 18 HA ALA 18 -8.024 -9.680 -2.845 124 1HB ALA 18 1HB ALA 18 -7.913 -7.578 -0.707 125 2HB ALA 18 2HB ALA 18 -7.541 -9.316 -0.618 126 3HB ALA 18 3HB ALA 18 -6.374 -8.193 -1.357 127 H CYS 19 H CYS 19 -10.154 -10.102 -2.043 128 HA CYS 19 HA CYS 19 -12.021 -7.996 -2.804 129 1HB CYS 19 1HB CYS 19 -12.305 -10.104 -3.961 130 2HB CYS 19 2HB CYS 19 -12.406 -10.973 -2.443 131 H LEU 20 H LEU 20 -11.909 -6.709 -0.873 132 HA LEU 20 HA LEU 20 -12.938 -8.091 1.507 133 1HB LEU 20 1HB LEU 20 -10.574 -6.424 1.134 134 2HB LEU 20 2HB LEU 20 -11.621 -5.826 2.406 135 HG LEU 20 HG LEU 20 -11.550 -8.064 3.489 136 1HD1 LEU 20 1HD1 LEU 20 -10.699 -9.879 2.527 137 2HD1 LEU 20 2HD1 LEU 20 -10.600 -8.936 1.020 138 3HD1 LEU 20 3HD1 LEU 20 -9.189 -9.036 2.101 139 1HD2 LEU 20 1HD2 LEU 20 -9.845 -7.328 4.713 140 2HD2 LEU 20 2HD2 LEU 20 -8.692 -7.547 3.375 141 3HD2 LEU 20 3HD2 LEU 20 -9.635 -6.042 3.500 142 H HIS 21 H HIS 21 -14.369 -6.798 2.880 143 HA HIS 21 HA HIS 21 -15.925 -4.997 1.226 144 1HB HIS 21 1HB HIS 21 -16.598 -6.034 3.986 145 2HB HIS 21 2HB HIS 21 -17.686 -5.319 2.814 146 HD1 HIS 21 1HD HIS 21 -17.523 -6.840 0.337 147 HD2 HIS 21 2HD HIS 21 -16.914 -8.732 4.032 148 HE1 HIS 21 1HE HIS 21 -17.945 -9.326 -0.055 149 H GLU 22 H GLU 22 -17.015 -3.126 2.693 150 HA GLU 22 HA GLU 22 -14.894 -1.411 3.262 151 1HB GLU 22 1HB GLU 22 -17.732 -1.245 2.936 152 2HB GLU 22 2HB GLU 22 -17.361 -0.494 4.475 153 1HG GLU 22 1HG GLU 22 -16.890 1.355 3.210 154 2HG GLU 22 2HG GLU 22 -15.350 0.564 2.933 155 H SER 23 H SER 23 -16.859 -3.618 5.232 156 HA SER 23 HA SER 23 -16.055 -2.421 7.679 157 1HB SER 23 1HB SER 23 -17.943 -4.426 6.799 158 2HB SER 23 2HB SER 23 -16.966 -5.114 8.081 159 HG SER 23 HG SER 23 -19.001 -3.801 8.642 160 H GLU 24 H GLU 24 -14.292 -3.981 5.397 161 HA GLU 24 HA GLU 24 -12.643 -5.272 7.427 162 1HB GLU 24 1HB GLU 24 -13.929 -6.777 5.674 163 2HB GLU 24 2HB GLU 24 -12.688 -6.241 4.559 164 1HG GLU 24 1HG GLU 24 -11.816 -8.254 5.487 165 2HG GLU 24 2HG GLU 24 -10.959 -6.981 6.332 166 H SER 25 H SER 25 -10.288 -5.250 6.956 167 HA SER 25 HA SER 25 -9.488 -3.489 4.834 168 1HB SER 25 1HB SER 25 -8.239 -1.959 6.300 169 2HB SER 25 2HB SER 25 -9.944 -1.926 6.703 170 HG SER 25 HG SER 25 -8.998 -2.140 8.680 171 H CYS 26 H CYS 26 -7.372 -3.968 4.113 172 HA CYS 26 HA CYS 26 -6.007 -6.036 5.679 173 1HB CYS 26 1HB CYS 26 -5.031 -6.397 3.175 174 2HB CYS 26 2HB CYS 26 -6.333 -7.322 3.894 175 H LEU 27 H LEU 27 -3.527 -6.035 5.094 176 HA LEU 27 HA LEU 27 -2.504 -3.524 5.746 177 1HB LEU 27 1HB LEU 27 -1.578 -5.946 6.027 178 2HB LEU 27 2HB LEU 27 -0.877 -5.680 4.443 179 HG LEU 27 HG LEU 27 0.416 -3.805 5.249 180 1HD1 LEU 27 1HD1 LEU 27 -1.162 -4.156 7.798 181 2HD1 LEU 27 2HD1 LEU 27 0.385 -3.278 7.739 182 3HD1 LEU 27 3HD1 LEU 27 -1.000 -2.708 6.777 183 1HD2 LEU 27 1HD2 LEU 27 0.620 -6.171 7.133 184 2HD2 LEU 27 2HD2 LEU 27 1.387 -6.020 5.534 185 3HD2 LEU 27 3HD2 LEU 27 1.878 -4.942 6.863 186 H VAL 28 H VAL 28 -3.271 -1.928 4.308 187 HA VAL 28 HA VAL 28 -2.946 -2.239 1.500 188 HB VAL 28 HB VAL 28 -4.735 -0.920 2.398 189 1HG1 VAL 28 1HG1 VAL 28 -3.993 -0.134 4.481 190 2HG1 VAL 28 2HG1 VAL 28 -2.533 0.609 3.788 191 3HG1 VAL 28 3HG1 VAL 28 -4.129 1.338 3.490 192 1HG2 VAL 28 1HG2 VAL 28 -2.626 0.617 0.874 193 2HG2 VAL 28 2HG2 VAL 28 -4.118 -0.143 0.267 194 3HG2 VAL 28 3HG2 VAL 28 -4.210 1.331 1.260 195 HA PRO 29 HA PRO 29 1.172 -0.932 1.234 196 1HB PRO 29 1HB PRO 29 1.320 -0.387 -1.440 197 2HB PRO 29 2HB PRO 29 1.450 -2.007 -0.783 198 1HG PRO 29 1HG PRO 29 -0.827 -0.755 -2.193 199 2HG PRO 29 2HG PRO 29 -0.510 -2.456 -1.912 200 1HD PRO 29 1HD PRO 29 -2.397 -0.808 -0.515 201 2HD PRO 29 2HD PRO 29 -1.997 -2.476 -0.159 202 H GLY 30 H GLY 30 2.489 0.921 -0.179 203 1HA GLY 30 1HA GLY 30 0.991 3.414 0.135 204 2HA GLY 30 2HA GLY 30 2.407 3.191 1.144 205 H ASP 31 H ASP 31 1.679 4.986 -1.310 206 HA ASP 31 HA ASP 31 3.757 4.111 -3.116 207 1HB ASP 31 1HB ASP 31 1.995 6.584 -3.366 208 2HB ASP 31 2HB ASP 31 2.880 5.779 -4.646 209 H CYS 32 H CYS 32 5.815 4.813 -2.497 210 HA CYS 32 HA CYS 32 6.035 7.279 -1.004 211 1HB CYS 32 1HB CYS 32 7.942 5.044 -1.658 212 2HB CYS 32 2HB CYS 32 8.518 6.569 -1.015 213 H CYS 33 H CYS 33 6.401 9.201 -2.056 214 HA CYS 33 HA CYS 33 7.485 9.013 -4.769 215 1HB CYS 33 1HB CYS 33 6.490 11.399 -4.912 216 2HB CYS 33 2HB CYS 33 5.444 10.001 -5.070 217 H ARG 34 H ARG 34 9.301 10.333 -5.302 218 HA ARG 34 HA ARG 34 10.256 12.126 -3.283 219 1HB ARG 34 1HB ARG 34 11.300 9.997 -2.588 220 2HB ARG 34 2HB ARG 34 11.875 9.705 -4.217 221 1HG ARG 34 1HG ARG 34 13.783 10.597 -3.152 222 2HG ARG 34 2HG ARG 34 13.125 11.991 -3.984 223 1HD ARG 34 1HD ARG 34 11.973 11.615 -1.278 224 2HD ARG 34 2HD ARG 34 13.709 11.857 -1.254 225 HE ARG 34 HE ARG 34 12.198 13.742 -2.956 226 1HH1 ARG 34 1HH1 ARG 34 13.680 13.152 0.207 227 2HH1 ARG 34 2HH1 ARG 34 13.764 14.831 0.620 228 1HH2 ARG 34 1HH2 ARG 34 12.954 16.465 -0.936 229 H GLY 35 H GLY 35 10.956 13.951 -4.359 230 1HA GLY 35 1HA GLY 35 11.759 15.285 -5.980 231 2HA GLY 35 2HA GLY 35 12.679 13.917 -6.573 232 H LYS 36 H LYS 36 11.751 12.481 -8.191 233 HA LYS 36 HA LYS 36 9.202 13.307 -9.307 234 1HB LYS 36 1HB LYS 36 11.472 13.073 -11.243 235 2HB LYS 36 2HB LYS 36 9.958 13.943 -11.389 236 1HG LYS 36 1HG LYS 36 10.812 15.503 -9.519 237 2HG LYS 36 2HG LYS 36 12.374 14.726 -9.700 238 1HD LYS 36 1HD LYS 36 12.672 15.541 -11.916 239 2HD LYS 36 2HD LYS 36 10.961 15.848 -12.139 240 1HE LYS 36 1HE LYS 36 11.251 17.578 -10.167 241 2HE LYS 36 2HE LYS 36 12.964 17.452 -10.514 242 1HZ LYS 36 1HZ LYS 36 11.287 19.100 -11.825 243 2HZ LYS 36 2HZ LYS 36 12.705 18.591 -12.444 244 H SER 37 H SER 37 10.306 11.002 -7.761 245 HA SER 37 HA SER 37 9.637 9.002 -9.758 246 1HB SER 37 1HB SER 37 12.057 9.062 -7.946 247 2HB SER 37 2HB SER 37 11.355 7.515 -8.376 248 HG SER 37 HG SER 37 12.347 7.661 -10.257 249 H ARG 38 H ARG 38 7.884 7.842 -9.049 250 HA ARG 38 HA ARG 38 7.587 7.637 -6.160 251 1HB ARG 38 1HB ARG 38 5.073 7.584 -6.620 252 2HB ARG 38 2HB ARG 38 5.843 9.124 -6.944 253 1HG ARG 38 1HG ARG 38 5.351 9.022 -9.167 254 2HG ARG 38 2HG ARG 38 5.934 7.375 -9.305 255 1HD ARG 38 1HD ARG 38 3.195 8.184 -8.208 256 2HD ARG 38 2HD ARG 38 3.489 7.549 -9.814 257 HE ARG 38 HE ARG 38 4.559 5.790 -7.757 258 1HH1 ARG 38 1HH1 ARG 38 1.576 6.692 -9.441 259 2HH1 ARG 38 2HH1 ARG 38 0.806 5.167 -9.155 260 1HH2 ARG 38 1HH2 ARG 38 1.982 3.469 -7.940 261 H LEU 39 H LEU 39 6.720 5.598 -5.359 262 HA LEU 39 HA LEU 39 6.163 3.530 -7.294 263 1HB LEU 39 1HB LEU 39 8.131 2.555 -7.294 264 2HB LEU 39 2HB LEU 39 8.780 3.848 -6.306 265 HG LEU 39 HG LEU 39 7.472 1.334 -5.230 266 1HD1 LEU 39 1HD1 LEU 39 9.408 0.273 -5.432 267 2HD1 LEU 39 2HD1 LEU 39 10.037 1.659 -6.356 268 3HD1 LEU 39 3HD1 LEU 39 10.266 1.587 -4.592 269 1HD2 LEU 39 1HD2 LEU 39 9.151 2.670 -3.337 270 2HD2 LEU 39 2HD2 LEU 39 7.973 3.835 -3.989 271 3HD2 LEU 39 3HD2 LEU 39 7.408 2.320 -3.247 272 H THR 40 H THR 40 5.075 1.699 -6.332 273 HA THR 40 HA THR 40 4.096 2.310 -3.620 274 HB THR 40 HB THR 40 2.669 2.214 -6.010 275 HG1 THR 40 1HG THR 40 0.913 1.727 -4.253 276 1HG2 THR 40 1HG2 THR 40 2.959 -0.301 -6.105 277 2HG2 THR 40 2HG2 THR 40 2.235 -0.407 -4.483 278 3HG2 THR 40 3HG2 THR 40 1.265 0.186 -5.852 279 H LEU 41 H LEU 41 4.765 0.979 -2.071 280 HA LEU 41 HA LEU 41 4.909 -1.845 -2.655 281 1HB LEU 41 1HB LEU 41 7.122 -2.185 -2.441 282 2HB LEU 41 2HB LEU 41 7.165 -0.595 -3.176 283 HG LEU 41 HG LEU 41 7.107 0.054 -0.513 284 1HD1 LEU 41 1HD1 LEU 41 8.249 -1.401 0.827 285 2HD1 LEU 41 2HD1 LEU 41 7.403 -2.559 -0.227 286 3HD1 LEU 41 3HD1 LEU 41 9.111 -2.162 -0.531 287 1HD2 LEU 41 1HD2 LEU 41 9.680 -0.490 -1.999 288 2HD2 LEU 41 2HD2 LEU 41 8.593 0.857 -2.413 289 3HD2 LEU 41 3HD2 LEU 41 9.333 0.775 -0.797 290 H CYS 42 H CYS 42 5.540 -3.038 -0.494 291 HA CYS 42 HA CYS 42 3.857 -1.819 1.516 292 1HB CYS 42 1HB CYS 42 5.132 -4.486 1.908 293 2HB CYS 42 2HB CYS 42 3.550 -3.910 2.397 294 H SER 43 H SER 43 4.756 -0.627 3.161 295 HA SER 43 HA SER 43 7.298 -1.473 4.199 296 1HB SER 43 1HB SER 43 7.610 0.299 2.293 297 2HB SER 43 2HB SER 43 6.970 1.449 3.451 298 HG SER 43 HG SER 43 8.698 0.956 4.894 299 H TYR 44 H TYR 44 6.104 -1.993 6.119 300 HA TYR 44 HA TYR 44 4.550 0.129 7.348 301 1HB TYR 44 1HB TYR 44 5.267 -2.536 8.619 302 2HB TYR 44 2HB TYR 44 3.721 -1.712 8.637 303 HD1 TYR 44 1HD TYR 44 5.094 -4.619 7.622 304 HD2 TYR 44 2HD TYR 44 2.937 -1.340 5.919 305 HE1 TYR 44 1HE TYR 44 4.259 -6.128 5.754 306 HE2 TYR 44 2HE TYR 44 2.109 -2.860 4.058 307 HH TYR 44 HH TYR 44 1.925 -4.940 3.385 308 H GLY 45 H GLY 45 4.874 0.554 9.744 309 1HA GLY 45 1HA GLY 45 7.753 0.476 10.422 310 2HA GLY 45 2HA GLY 45 6.762 1.904 10.644 311 H GLU 46 H GLU 46 7.540 1.628 12.960 312 HA GLU 46 HA GLU 46 5.665 -0.139 14.316 313 1HB GLU 46 1HB GLU 46 8.507 0.370 15.287 314 2HB GLU 46 2HB GLU 46 7.347 -0.763 15.954 315 1HG GLU 46 1HG GLU 46 8.811 -2.095 14.611 316 2HG GLU 46 2HG GLU 46 7.345 -1.936 13.663 317 H GLY 47 H GLY 47 4.661 0.743 16.164 318 1HA GLY 47 1HA GLY 47 3.763 2.473 17.312 319 2HA GLY 47 2HA GLY 47 5.424 2.737 17.802 320 H GLY 48 H GLY 48 3.939 3.126 14.521 321 1HA GLY 48 1HA GLY 48 4.494 6.023 14.714 322 2HA GLY 48 2HA GLY 48 4.986 5.074 13.326 323 H ASN 49 H ASN 49 3.557 4.805 11.642 324 HA ASN 49 HA ASN 49 0.748 4.994 12.222 325 1HB ASN 49 1HB ASN 49 1.860 7.345 11.578 326 2HB ASN 49 2HB ASN 49 1.814 6.700 9.949 327 1HD2 ASN 49 1HD2 ASN 49 -0.042 7.704 12.724 328 2HD2 ASN 49 2HD2 ASN 49 -1.589 7.840 11.957 329 H GLY 50 H GLY 50 0.734 2.747 11.495 330 1HA GLY 50 1HA GLY 50 0.960 1.016 10.036 331 2HA GLY 50 2HA GLY 50 0.050 2.103 9.006 332 H PHE 51 H PHE 51 0.954 2.737 7.082 333 HA PHE 51 HA PHE 51 3.331 1.645 6.206 334 1HB PHE 51 1HB PHE 51 1.316 2.687 4.938 335 2HB PHE 51 2HB PHE 51 1.974 4.262 5.331 336 HD1 PHE 51 1HD PHE 51 3.166 5.291 3.661 337 HD2 PHE 51 2HD PHE 51 3.218 1.052 3.864 338 HE1 PHE 51 1HE PHE 51 4.597 5.210 1.600 339 HE2 PHE 51 2HE PHE 51 4.649 0.971 1.804 340 HZ PHE 51 HZ PHE 51 5.320 3.051 0.696 341 H GLN 52 H GLN 52 5.406 2.611 5.677 342 HA GLN 52 HA GLN 52 5.950 5.156 6.898 343 1HB GLN 52 1HB GLN 52 6.306 3.318 8.663 344 2HB GLN 52 2HB GLN 52 7.635 2.742 7.675 345 1HG GLN 52 1HG GLN 52 8.954 4.253 8.738 346 2HG GLN 52 2HG GLN 52 8.113 5.504 7.845 347 1HE2 GLN 52 1HE2 GLN 52 8.608 6.828 9.688 348 2HE2 GLN 52 2HE2 GLN 52 7.583 6.821 11.084 349 H CYS 53 H CYS 53 7.040 6.288 5.356 350 HA CYS 53 HA CYS 53 8.250 4.882 3.191 351 1HB CYS 53 1HB CYS 53 7.684 7.727 3.871 352 2HB CYS 53 2HB CYS 53 8.973 7.413 2.725 353 HA PRO 54 HA PRO 54 12.210 4.796 5.041 354 1HB PRO 54 1HB PRO 54 13.679 3.975 2.888 355 2HB PRO 54 2HB PRO 54 12.775 2.873 3.907 356 1HG PRO 54 1HG PRO 54 12.128 3.834 1.188 357 2HG PRO 54 2HG PRO 54 11.491 2.442 2.040 358 1HD PRO 54 1HD PRO 54 10.172 4.956 1.630 359 2HD PRO 54 2HD PRO 54 9.583 3.606 2.581 360 H THR 55 H THR 55 14.552 5.577 4.703 361 HA THR 55 HA THR 55 14.370 8.361 4.388 362 HB THR 55 HB THR 55 16.060 6.775 5.681 363 HG1 THR 55 1HG THR 55 17.365 8.674 5.682 364 1HG2 THR 55 1HG2 THR 55 18.220 6.562 4.487 365 2HG2 THR 55 2HG2 THR 55 16.967 5.657 3.604 366 3HG2 THR 55 3HG2 THR 55 17.495 7.252 3.015 367 H GLY 56 H GLY 56 14.431 9.687 2.681 368 1HA GLY 56 1HA GLY 56 15.322 10.353 0.613 369 2HA GLY 56 2HA GLY 56 15.621 8.680 0.189 370 H TYR 57 H TYR 57 12.629 8.639 1.683 371 HA TYR 57 HA TYR 57 11.241 9.115 -0.869 372 1HB TYR 57 1HB TYR 57 11.116 6.972 1.319 373 2HB TYR 57 2HB TYR 57 9.707 7.254 0.315 374 HD1 TYR 57 1HD TYR 57 9.989 7.026 -2.242 375 HD2 TYR 57 2HD TYR 57 12.857 5.568 0.577 376 HE1 TYR 57 1HE TYR 57 10.948 5.472 -4.011 377 HE2 TYR 57 2HE TYR 57 13.807 4.019 -1.201 378 HH TYR 57 HH TYR 57 13.432 3.117 -3.185 379 H ARG 58 H ARG 58 8.917 9.685 -0.644 380 HA ARG 58 HA ARG 58 8.280 10.739 1.972 381 1HB ARG 58 1HB ARG 58 8.907 12.335 -0.409 382 2HB ARG 58 2HB ARG 58 7.269 12.653 0.124 383 1HG ARG 58 1HG ARG 58 8.032 13.904 1.851 384 2HG ARG 58 2HG ARG 58 8.946 12.542 2.469 385 1HD ARG 58 1HD ARG 58 10.931 13.297 1.580 386 2HD ARG 58 2HD ARG 58 10.181 13.826 0.087 387 HE ARG 58 HE ARG 58 9.771 15.954 1.042 388 1HH1 ARG 58 1HH1 ARG 58 10.967 13.714 3.513 389 2HH1 ARG 58 2HH1 ARG 58 11.250 14.960 4.683 390 1HH2 ARG 58 1HH2 ARG 58 10.759 17.236 4.115 391 H GLN 59 H GLN 59 6.511 9.394 2.367 392 HA GLN 59 HA GLN 59 4.928 8.138 0.685 393 1HB GLN 59 1HB GLN 59 3.180 8.162 2.413 394 2HB GLN 59 2HB GLN 59 4.759 8.009 3.156 395 1HG GLN 59 1HG GLN 59 4.399 10.786 3.018 396 2HG GLN 59 2HG GLN 59 2.787 10.199 3.377 397 1HE2 GLN 59 1HE2 GLN 59 2.676 8.469 5.092 398 2HE2 GLN 59 2HE2 GLN 59 3.636 8.687 6.517 399 H CYS 60 H CYS 60 3.453 8.584 -0.912 400 HA CYS 60 HA CYS 60 2.973 11.331 -1.523 401 1HB CYS 60 1HB CYS 60 2.898 8.819 -2.905 402 2HB CYS 60 2HB CYS 60 1.364 9.636 -3.132 Start of MODEL 5 1 1H ASP 1 1H ASP 1 -22.459 -10.460 -1.068 2 HA ASP 1 HA ASP 1 -23.354 -10.627 -3.707 3 1HB ASP 1 1HB ASP 1 -24.195 -9.417 -1.171 4 2HB ASP 1 2HB ASP 1 -24.528 -8.335 -2.508 5 H ARG 2 H ARG 2 -21.928 -7.943 -1.692 6 HA ARG 2 HA ARG 2 -21.050 -6.744 -4.192 7 1HB ARG 2 1HB ARG 2 -21.702 -4.945 -1.860 8 2HB ARG 2 2HB ARG 2 -21.797 -4.605 -3.577 9 1HG ARG 2 1HG ARG 2 -24.054 -4.858 -3.251 10 2HG ARG 2 2HG ARG 2 -23.693 -6.565 -3.409 11 1HD ARG 2 1HD ARG 2 -23.338 -6.630 -0.868 12 2HD ARG 2 2HD ARG 2 -23.945 -4.988 -0.806 13 HE ARG 2 HE ARG 2 -25.530 -7.382 -1.128 14 1HH1 ARG 2 1HH1 ARG 2 -25.397 -3.986 -2.127 15 2HH1 ARG 2 2HH1 ARG 2 -27.106 -3.863 -2.378 16 1HH2 ARG 2 1HH2 ARG 2 -28.491 -5.777 -1.978 17 H CYS 3 H CYS 3 -19.071 -5.352 -3.934 18 HA CYS 3 HA CYS 3 -17.708 -5.084 -1.553 19 1HB CYS 3 1HB CYS 3 -17.066 -7.187 -1.141 20 2HB CYS 3 2HB CYS 3 -17.391 -7.728 -2.776 21 H ARG 4 H ARG 4 -15.577 -4.060 -1.962 22 HA ARG 4 HA ARG 4 -15.414 -3.193 -4.732 23 1HB ARG 4 1HB ARG 4 -15.839 -1.396 -3.037 24 2HB ARG 4 2HB ARG 4 -14.372 -1.843 -2.190 25 1HG ARG 4 1HG ARG 4 -13.320 -0.308 -3.501 26 2HG ARG 4 2HG ARG 4 -13.445 -1.489 -4.791 27 1HD ARG 4 1HD ARG 4 -15.835 0.282 -4.281 28 2HD ARG 4 2HD ARG 4 -14.437 1.005 -5.052 29 HE ARG 4 HE ARG 4 -15.317 -1.557 -6.223 30 1HH1 ARG 4 1HH1 ARG 4 -15.511 1.977 -6.380 31 2HH1 ARG 4 2HH1 ARG 4 -16.043 1.999 -8.029 32 1HH2 ARG 4 1HH2 ARG 4 -16.336 -0.075 -9.195 33 H TYR 5 H TYR 5 -14.134 -5.124 -5.317 34 HA TYR 5 HA TYR 5 -11.953 -6.127 -4.094 35 1HB TYR 5 1HB TYR 5 -11.216 -6.506 -6.574 36 2HB TYR 5 2HB TYR 5 -12.836 -7.046 -6.178 37 HD1 TYR 5 1HD TYR 5 -10.846 -4.576 -8.023 38 HD2 TYR 5 2HD TYR 5 -14.808 -5.831 -7.005 39 HE1 TYR 5 1HE TYR 5 -11.792 -3.126 -9.886 40 HE2 TYR 5 2HE TYR 5 -15.740 -4.377 -8.870 41 HH TYR 5 HH TYR 5 -14.013 -3.278 -11.331 42 H THR 6 H THR 6 -10.010 -5.371 -3.422 43 HA THR 6 HA THR 6 -8.820 -3.162 -4.945 44 HB THR 6 HB THR 6 -8.789 -3.269 -1.901 45 HG1 THR 6 1HG THR 6 -10.900 -2.622 -2.040 46 1HG2 THR 6 1HG2 THR 6 -7.279 -1.595 -2.779 47 2HG2 THR 6 2HG2 THR 6 -8.434 -1.126 -4.049 48 3HG2 THR 6 3HG2 THR 6 -8.764 -0.714 -2.349 49 H LEU 7 H LEU 7 -6.445 -2.875 -4.364 50 HA LEU 7 HA LEU 7 -5.312 -5.562 -4.231 51 1HB LEU 7 1HB LEU 7 -4.374 -2.935 -5.345 52 2HB LEU 7 2HB LEU 7 -3.242 -4.234 -5.023 53 HG LEU 7 HG LEU 7 -5.393 -5.363 -6.504 54 1HD1 LEU 7 1HD1 LEU 7 -4.271 -3.136 -8.149 55 2HD1 LEU 7 2HD1 LEU 7 -5.805 -4.025 -8.309 56 3HD1 LEU 7 3HD1 LEU 7 -5.623 -2.783 -7.047 57 1HD2 LEU 7 1HD2 LEU 7 -2.479 -4.796 -6.998 58 2HD2 LEU 7 2HD2 LEU 7 -3.299 -6.348 -6.704 59 3HD2 LEU 7 3HD2 LEU 7 -3.503 -5.516 -8.264 60 H CYS 8 H CYS 8 -4.117 -6.258 -2.518 61 HA CYS 8 HA CYS 8 -3.121 -4.234 -0.681 62 1HB CYS 8 1HB CYS 8 -4.849 -6.571 0.153 63 2HB CYS 8 2HB CYS 8 -3.920 -5.576 1.256 64 H CYS 9 H CYS 9 -1.525 -5.339 0.919 65 HA CYS 9 HA CYS 9 -0.005 -7.272 -0.624 66 1HB CYS 9 1HB CYS 9 0.627 -5.247 1.454 67 2HB CYS 9 2HB CYS 9 1.592 -6.710 1.470 68 H ASP 10 H ASP 10 0.998 -9.142 0.633 69 HA ASP 10 HA ASP 10 -1.059 -10.292 2.259 70 1HB ASP 10 1HB ASP 10 -0.151 -12.303 1.630 71 2HB ASP 10 2HB ASP 10 0.633 -11.338 0.396 72 H GLY 11 H GLY 11 1.882 -8.489 2.614 73 1HA GLY 11 1HA GLY 11 2.425 -7.661 4.791 74 2HA GLY 11 2HA GLY 11 2.029 -9.227 5.470 75 H ALA 12 H ALA 12 3.327 -10.882 3.437 76 HA ALA 12 HA ALA 12 6.082 -10.029 3.381 77 1HB ALA 12 1HB ALA 12 6.952 -11.782 4.741 78 2HB ALA 12 2HB ALA 12 5.629 -11.059 5.686 79 3HB ALA 12 3HB ALA 12 5.375 -12.600 4.831 80 H LEU 13 H LEU 13 5.208 -10.093 1.086 81 HA LEU 13 HA LEU 13 6.168 -12.339 -0.215 82 1HB LEU 13 1HB LEU 13 4.240 -13.488 0.749 83 2HB LEU 13 2HB LEU 13 3.156 -12.314 0.028 84 HG LEU 13 HG LEU 13 4.380 -13.136 -2.212 85 1HD1 LEU 13 1HD1 LEU 13 5.275 -15.015 -0.232 86 2HD1 LEU 13 2HD1 LEU 13 4.246 -15.844 -1.424 87 3HD1 LEU 13 3HD1 LEU 13 5.669 -14.921 -1.964 88 1HD2 LEU 13 1HD2 LEU 13 2.272 -14.988 -1.200 89 2HD2 LEU 13 2HD2 LEU 13 1.890 -13.252 -1.289 90 3HD2 LEU 13 3HD2 LEU 13 2.401 -14.127 -2.752 91 H LYS 14 H LYS 14 3.097 -11.084 -1.405 92 HA LYS 14 HA LYS 14 4.429 -8.897 -2.770 93 1HB LYS 14 1HB LYS 14 3.143 -11.216 -4.239 94 2HB LYS 14 2HB LYS 14 3.552 -9.682 -4.981 95 1HG LYS 14 1HG LYS 14 5.604 -11.376 -3.487 96 2HG LYS 14 2HG LYS 14 5.301 -11.562 -5.204 97 1HD LYS 14 1HD LYS 14 6.120 -9.395 -5.723 98 2HD LYS 14 2HD LYS 14 5.892 -8.806 -4.087 99 1HE LYS 14 1HE LYS 14 7.901 -9.669 -3.344 100 2HE LYS 14 2HE LYS 14 7.768 -11.115 -4.325 101 1HZ LYS 14 1HZ LYS 14 9.107 -10.148 -5.825 102 2HZ LYS 14 2HZ LYS 14 8.074 -8.907 -6.043 103 H ALA 15 H ALA 15 2.519 -7.930 -4.367 104 HA ALA 15 HA ALA 15 0.290 -7.547 -2.506 105 1HB ALA 15 1HB ALA 15 1.343 -5.873 -4.821 106 2HB ALA 15 2HB ALA 15 -0.068 -5.455 -3.820 107 3HB ALA 15 3HB ALA 15 1.551 -5.536 -3.086 108 H VAL 16 H VAL 16 -1.608 -8.540 -2.949 109 HA VAL 16 HA VAL 16 -2.137 -9.168 -5.771 110 HB VAL 16 HB VAL 16 -1.506 -11.049 -4.040 111 1HG1 VAL 16 1HG1 VAL 16 -3.257 -11.948 -2.757 112 2HG1 VAL 16 2HG1 VAL 16 -3.369 -10.193 -2.478 113 3HG1 VAL 16 3HG1 VAL 16 -4.495 -10.990 -3.604 114 1HG2 VAL 16 1HG2 VAL 16 -2.349 -11.193 -6.472 115 2HG2 VAL 16 2HG2 VAL 16 -2.576 -12.616 -5.427 116 3HG2 VAL 16 3HG2 VAL 16 -3.945 -11.527 -5.759 117 H SER 17 H SER 17 -4.660 -9.699 -5.970 118 HA SER 17 HA SER 17 -5.918 -7.354 -4.857 119 1HB SER 17 1HB SER 17 -6.156 -7.668 -7.259 120 2HB SER 17 2HB SER 17 -6.733 -9.308 -7.047 121 HG SER 17 HG SER 17 -8.606 -8.382 -5.885 122 H ALA 18 H ALA 18 -8.071 -7.488 -3.821 123 HA ALA 18 HA ALA 18 -8.916 -10.133 -2.986 124 1HB ALA 18 1HB ALA 18 -8.512 -9.882 -0.728 125 2HB ALA 18 2HB ALA 18 -7.123 -8.974 -1.375 126 3HB ALA 18 3HB ALA 18 -8.568 -8.104 -0.805 127 H CYS 19 H CYS 19 -11.096 -10.050 -1.951 128 HA CYS 19 HA CYS 19 -12.530 -7.699 -2.943 129 1HB CYS 19 1HB CYS 19 -13.007 -10.030 -3.895 130 2HB CYS 19 2HB CYS 19 -13.751 -10.391 -2.350 131 H LEU 20 H LEU 20 -12.299 -6.380 -1.063 132 HA LEU 20 HA LEU 20 -13.522 -7.519 1.354 133 1HB LEU 20 1HB LEU 20 -11.025 -6.052 0.920 134 2HB LEU 20 2HB LEU 20 -12.023 -5.363 2.185 135 HG LEU 20 HG LEU 20 -12.097 -7.573 3.314 136 1HD1 LEU 20 1HD1 LEU 20 -9.855 -8.611 1.655 137 2HD1 LEU 20 2HD1 LEU 20 -11.140 -9.476 2.531 138 3HD1 LEU 20 3HD1 LEU 20 -11.495 -8.701 0.968 139 1HD2 LEU 20 1HD2 LEU 20 -10.198 -5.688 3.480 140 2HD2 LEU 20 2HD2 LEU 20 -10.181 -7.178 4.454 141 3HD2 LEU 20 3HD2 LEU 20 -9.189 -7.067 2.980 142 H HIS 21 H HIS 21 -14.802 -5.997 2.664 143 HA HIS 21 HA HIS 21 -16.189 -4.163 0.895 144 1HB HIS 21 1HB HIS 21 -16.945 -5.036 3.693 145 2HB HIS 21 2HB HIS 21 -17.962 -4.204 2.532 146 HD1 HIS 21 1HD HIS 21 -19.490 -6.446 3.140 147 HD2 HIS 21 2HD HIS 21 -16.123 -6.982 0.697 148 HE1 HIS 21 1HE HIS 21 -19.819 -8.679 1.949 149 H GLU 22 H GLU 22 -17.129 -2.145 2.317 150 HA GLU 22 HA GLU 22 -14.869 -0.578 2.763 151 1HB GLU 22 1HB GLU 22 -17.687 -0.202 2.482 152 2HB GLU 22 2HB GLU 22 -17.237 0.562 3.993 153 1HG GLU 22 1HG GLU 22 -15.554 1.939 2.896 154 2HG GLU 22 2HG GLU 22 -15.700 1.035 1.401 155 H SER 23 H SER 23 -16.917 -2.569 4.862 156 HA SER 23 HA SER 23 -15.984 -1.331 7.243 157 1HB SER 23 1HB SER 23 -18.018 -3.234 6.487 158 2HB SER 23 2HB SER 23 -17.047 -3.954 7.755 159 HG SER 23 HG SER 23 -17.654 -2.402 9.190 160 H GLU 24 H GLU 24 -14.392 -3.107 4.981 161 HA GLU 24 HA GLU 24 -12.743 -4.372 7.026 162 1HB GLU 24 1HB GLU 24 -14.200 -5.919 5.462 163 2HB GLU 24 2HB GLU 24 -12.998 -5.541 4.243 164 1HG GLU 24 1HG GLU 24 -12.235 -7.554 5.304 165 2HG GLU 24 2HG GLU 24 -11.204 -6.277 5.917 166 H SER 25 H SER 25 -10.418 -4.512 6.478 167 HA SER 25 HA SER 25 -9.605 -2.998 4.179 168 1HB SER 25 1HB SER 25 -9.907 -1.615 6.557 169 2HB SER 25 2HB SER 25 -8.223 -2.087 6.646 170 HG SER 25 HG SER 25 -7.850 -1.081 4.591 171 H CYS 26 H CYS 26 -7.554 -3.672 3.433 172 HA CYS 26 HA CYS 26 -6.294 -5.723 5.103 173 1HB CYS 26 1HB CYS 26 -5.293 -6.250 2.667 174 2HB CYS 26 2HB CYS 26 -6.734 -7.001 3.323 175 H LEU 27 H LEU 27 -3.801 -5.895 4.465 176 HA LEU 27 HA LEU 27 -2.623 -3.459 5.145 177 1HB LEU 27 1HB LEU 27 -1.857 -5.970 5.337 178 2HB LEU 27 2HB LEU 27 -1.097 -5.644 3.791 179 HG LEU 27 HG LEU 27 0.318 -3.971 4.711 180 1HD1 LEU 27 1HD1 LEU 27 -0.898 -2.630 6.120 181 2HD1 LEU 27 2HD1 LEU 27 -1.605 -4.002 7.005 182 3HD1 LEU 27 3HD1 LEU 27 0.088 -3.534 7.294 183 1HD2 LEU 27 1HD2 LEU 27 0.107 -6.435 6.439 184 2HD2 LEU 27 2HD2 LEU 27 1.252 -6.082 5.122 185 3HD2 LEU 27 3HD2 LEU 27 1.387 -5.220 6.674 186 H VAL 28 H VAL 28 -3.375 -1.830 3.709 187 HA VAL 28 HA VAL 28 -2.955 -2.142 0.897 188 HB VAL 28 HB VAL 28 -3.809 0.146 2.671 189 1HG1 VAL 28 1HG1 VAL 28 -4.076 1.560 0.851 190 2HG1 VAL 28 2HG1 VAL 28 -2.548 0.739 0.453 191 3HG1 VAL 28 3HG1 VAL 28 -4.064 0.225 -0.326 192 1HG2 VAL 28 1HG2 VAL 28 -5.181 -2.099 1.714 193 2HG2 VAL 28 2HG2 VAL 28 -5.890 -0.627 2.419 194 3HG2 VAL 28 3HG2 VAL 28 -5.695 -0.764 0.656 195 HA PRO 29 HA PRO 29 1.108 -0.658 0.811 196 1HB PRO 29 1HB PRO 29 1.325 0.021 -1.828 197 2HB PRO 29 2HB PRO 29 1.485 -1.624 -1.244 198 1HG PRO 29 1HG PRO 29 -0.783 -0.376 -2.671 199 2HG PRO 29 2HG PRO 29 -0.420 -2.078 -2.461 200 1HD PRO 29 1HD PRO 29 -2.404 -0.560 -1.052 201 2HD PRO 29 2HD PRO 29 -1.962 -2.231 -0.762 202 H GLY 30 H GLY 30 2.382 1.309 -0.534 203 1HA GLY 30 1HA GLY 30 0.800 3.731 -0.101 204 2HA GLY 30 2HA GLY 30 2.219 3.507 0.904 205 H ASP 31 H ASP 31 1.850 5.643 -1.030 206 HA ASP 31 HA ASP 31 3.651 4.838 -3.155 207 1HB ASP 31 1HB ASP 31 2.072 7.426 -2.778 208 2HB ASP 31 2HB ASP 31 3.009 7.011 -4.200 209 H CYS 32 H CYS 32 5.825 5.334 -2.837 210 HA CYS 32 HA CYS 32 6.477 7.268 -0.782 211 1HB CYS 32 1HB CYS 32 7.981 5.110 -2.216 212 2HB CYS 32 2HB CYS 32 8.869 6.418 -1.459 213 H CYS 33 H CYS 33 6.851 9.380 -1.354 214 HA CYS 33 HA CYS 33 7.259 9.958 -4.159 215 1HB CYS 33 1HB CYS 33 6.337 11.462 -1.778 216 2HB CYS 33 2HB CYS 33 7.241 12.383 -2.964 217 H ARG 34 H ARG 34 9.249 10.573 -5.003 218 HA ARG 34 HA ARG 34 11.309 11.196 -3.051 219 1HB ARG 34 1HB ARG 34 11.534 8.823 -3.927 220 2HB ARG 34 2HB ARG 34 11.703 9.469 -5.547 221 1HG ARG 34 1HG ARG 34 13.585 10.953 -4.116 222 2HG ARG 34 2HG ARG 34 13.676 9.386 -3.336 223 1HD ARG 34 1HD ARG 34 15.239 9.228 -5.127 224 2HD ARG 34 2HD ARG 34 13.830 8.375 -5.725 225 HE ARG 34 HE ARG 34 13.539 11.102 -6.475 226 1HH1 ARG 34 1HH1 ARG 34 15.676 8.370 -7.197 227 2HH1 ARG 34 2HH1 ARG 34 16.054 8.927 -8.793 228 1HH2 ARG 34 1HH2 ARG 34 15.080 10.968 -9.585 229 H GLY 35 H GLY 35 11.592 13.391 -3.462 230 1HA GLY 35 1HA GLY 35 11.969 15.302 -4.586 231 2HA GLY 35 2HA GLY 35 12.962 14.324 -5.648 232 H LYS 36 H LYS 36 12.084 13.483 -7.643 233 HA LYS 36 HA LYS 36 9.439 14.542 -8.324 234 1HB LYS 36 1HB LYS 36 10.251 15.299 -10.479 235 2HB LYS 36 2HB LYS 36 11.133 16.096 -9.191 236 1HG LYS 36 1HG LYS 36 13.029 14.527 -9.467 237 2HG LYS 36 2HG LYS 36 12.139 13.622 -10.676 238 1HD LYS 36 1HD LYS 36 12.552 16.590 -11.095 239 2HD LYS 36 2HD LYS 36 13.895 15.504 -11.392 240 1HE LYS 36 1HE LYS 36 12.532 14.199 -12.999 241 2HE LYS 36 2HE LYS 36 11.129 15.189 -12.652 242 1HZ LYS 36 1HZ LYS 36 13.346 16.822 -13.377 243 2HZ LYS 36 2HZ LYS 36 13.066 15.721 -14.544 244 H SER 37 H SER 37 9.795 11.975 -7.369 245 HA SER 37 HA SER 37 9.057 10.514 -9.703 246 1HB SER 37 1HB SER 37 11.660 10.027 -8.281 247 2HB SER 37 2HB SER 37 10.753 8.618 -8.794 248 HG SER 37 HG SER 37 10.890 10.572 -10.781 249 H ARG 38 H ARG 38 7.303 9.291 -9.099 250 HA ARG 38 HA ARG 38 6.974 8.867 -6.259 251 1HB ARG 38 1HB ARG 38 4.587 8.151 -7.084 252 2HB ARG 38 2HB ARG 38 5.009 9.850 -7.150 253 1HG ARG 38 1HG ARG 38 5.196 9.869 -9.478 254 2HG ARG 38 2HG ARG 38 5.678 8.186 -9.566 255 1HD ARG 38 1HD ARG 38 2.860 9.084 -8.797 256 2HD ARG 38 2HD ARG 38 3.326 8.678 -10.436 257 HE ARG 38 HE ARG 38 4.054 6.565 -8.579 258 1HH1 ARG 38 1HH1 ARG 38 1.329 7.907 -10.401 259 2HH1 ARG 38 2HH1 ARG 38 0.457 6.410 -10.440 260 1HH2 ARG 38 1HH2 ARG 38 1.404 4.474 -9.391 261 H LEU 39 H LEU 39 6.445 6.735 -5.399 262 HA LEU 39 HA LEU 39 6.738 4.519 -7.274 263 1HB LEU 39 1HB LEU 39 8.969 5.169 -6.249 264 2HB LEU 39 2HB LEU 39 8.316 4.648 -4.708 265 HG LEU 39 HG LEU 39 7.978 2.623 -6.792 266 1HD1 LEU 39 1HD1 LEU 39 10.695 3.802 -6.322 267 2HD1 LEU 39 2HD1 LEU 39 10.526 2.052 -6.599 268 3HD1 LEU 39 3HD1 LEU 39 9.951 3.206 -7.825 269 1HD2 LEU 39 1HD2 LEU 39 8.990 2.781 -3.971 270 2HD2 LEU 39 2HD2 LEU 39 7.629 1.854 -4.645 271 3HD2 LEU 39 3HD2 LEU 39 9.301 1.329 -4.951 272 H THR 40 H THR 40 6.041 2.414 -6.240 273 HA THR 40 HA THR 40 4.222 2.859 -3.984 274 HB THR 40 HB THR 40 3.573 1.779 -6.763 275 HG1 THR 40 1HG THR 40 2.074 3.511 -6.549 276 1HG2 THR 40 1HG2 THR 40 1.717 0.640 -5.982 277 2HG2 THR 40 2HG2 THR 40 2.680 0.483 -4.493 278 3HG2 THR 40 3HG2 THR 40 1.471 1.782 -4.639 279 H LEU 41 H LEU 41 4.861 1.564 -2.389 280 HA LEU 41 HA LEU 41 5.304 -1.219 -3.007 281 1HB LEU 41 1HB LEU 41 7.493 -1.378 -2.620 282 2HB LEU 41 2HB LEU 41 7.504 0.296 -3.136 283 HG LEU 41 HG LEU 41 7.043 0.542 -0.431 284 1HD1 LEU 41 1HD1 LEU 41 9.252 -1.475 -0.522 285 2HD1 LEU 41 2HD1 LEU 41 8.197 -0.986 0.826 286 3HD1 LEU 41 3HD1 LEU 41 7.565 -2.040 -0.461 287 1HD2 LEU 41 1HD2 LEU 41 9.187 1.041 -2.321 288 2HD2 LEU 41 2HD2 LEU 41 8.650 1.997 -0.919 289 3HD2 LEU 41 3HD2 LEU 41 9.818 0.672 -0.698 290 H CYS 42 H CYS 42 5.697 -2.445 -0.828 291 HA CYS 42 HA CYS 42 3.821 -1.259 1.059 292 1HB CYS 42 1HB CYS 42 4.786 -4.116 0.819 293 2HB CYS 42 2HB CYS 42 3.589 -3.530 1.957 294 H SER 43 H SER 43 4.562 -0.521 3.034 295 HA SER 43 HA SER 43 6.869 -1.693 4.201 296 1HB SER 43 1HB SER 43 7.827 0.830 4.394 297 2HB SER 43 2HB SER 43 8.318 -0.275 3.126 298 HG SER 43 HG SER 43 6.857 2.081 2.949 299 H TYR 44 H TYR 44 5.909 -2.016 6.189 300 HA TYR 44 HA TYR 44 4.327 0.192 7.291 301 1HB TYR 44 1HB TYR 44 4.620 -2.564 8.525 302 2HB TYR 44 2HB TYR 44 3.178 -1.574 8.419 303 HD1 TYR 44 1HD TYR 44 4.398 -4.580 7.415 304 HD2 TYR 44 2HD TYR 44 2.636 -1.084 5.690 305 HE1 TYR 44 1HE TYR 44 3.593 -5.954 5.433 306 HE2 TYR 44 2HE TYR 44 1.839 -2.468 3.714 307 HH TYR 44 HH TYR 44 2.768 -5.859 3.396 308 H GLY 45 H GLY 45 4.549 0.644 9.646 309 1HA GLY 45 1HA GLY 45 7.122 -0.145 10.805 310 2HA GLY 45 2HA GLY 45 6.833 1.561 10.528 311 H GLU 46 H GLU 46 5.196 -1.346 11.973 312 HA GLU 46 HA GLU 46 3.265 -0.266 13.382 313 1HB GLU 46 1HB GLU 46 3.845 -1.981 15.224 314 2HB GLU 46 2HB GLU 46 3.608 -2.602 13.602 315 1HG GLU 46 1HG GLU 46 6.285 -2.091 13.481 316 2HG GLU 46 2HG GLU 46 6.136 -2.379 15.203 317 H GLY 47 H GLY 47 2.915 0.941 15.288 318 1HA GLY 47 1HA GLY 47 3.390 2.323 17.001 319 2HA GLY 47 2HA GLY 47 4.967 1.571 17.135 320 H GLY 48 H GLY 48 3.072 4.128 15.494 321 1HA GLY 48 1HA GLY 48 4.516 6.241 15.534 322 2HA GLY 48 2HA GLY 48 5.575 5.318 14.487 323 H ASN 49 H ASN 49 4.452 4.261 12.491 324 HA ASN 49 HA ASN 49 2.138 5.736 11.641 325 1HB ASN 49 1HB ASN 49 4.492 6.871 10.955 326 2HB ASN 49 2HB ASN 49 4.461 5.648 9.700 327 1HD2 ASN 49 1HD2 ASN 49 2.427 8.114 11.252 328 2HD2 ASN 49 2HD2 ASN 49 1.585 8.636 9.831 329 H GLY 50 H GLY 50 0.843 4.006 10.991 330 1HA GLY 50 1HA GLY 50 1.361 1.450 10.599 331 2HA GLY 50 2HA GLY 50 0.209 2.308 9.596 332 H PHE 51 H PHE 51 1.936 4.000 8.086 333 HA PHE 51 HA PHE 51 3.328 1.962 6.509 334 1HB PHE 51 1HB PHE 51 1.403 3.260 5.488 335 2HB PHE 51 2HB PHE 51 2.216 4.763 5.878 336 HD1 PHE 51 1HD PHE 51 3.083 5.810 4.030 337 HD2 PHE 51 2HD PHE 51 3.223 1.572 4.199 338 HE1 PHE 51 1HE PHE 51 4.243 5.760 1.805 339 HE2 PHE 51 2HE PHE 51 4.382 1.522 1.973 340 HZ PHE 51 HZ PHE 51 4.879 3.616 0.803 341 H GLN 52 H GLN 52 5.417 2.461 5.579 342 HA GLN 52 HA GLN 52 6.685 4.822 6.670 343 1HB GLN 52 1HB GLN 52 7.051 2.534 8.030 344 2HB GLN 52 2HB GLN 52 8.247 2.252 6.780 345 1HG GLN 52 1HG GLN 52 9.511 4.188 7.373 346 2HG GLN 52 2HG GLN 52 8.174 4.909 8.248 347 1HE2 GLN 52 1HE2 GLN 52 9.593 5.182 10.012 348 2HE2 GLN 52 2HE2 GLN 52 9.965 3.886 11.099 349 H CYS 53 H CYS 53 8.600 5.499 5.450 350 HA CYS 53 HA CYS 53 8.690 4.214 2.817 351 1HB CYS 53 1HB CYS 53 8.536 7.052 3.631 352 2HB CYS 53 2HB CYS 53 9.694 6.698 2.363 353 HA PRO 54 HA PRO 54 12.920 3.623 3.679 354 1HB PRO 54 1HB PRO 54 13.962 3.375 1.164 355 2HB PRO 54 2HB PRO 54 13.131 2.071 1.990 356 1HG PRO 54 1HG PRO 54 12.163 3.783 -0.217 357 2HG PRO 54 2HG PRO 54 11.542 2.237 0.327 358 1HD PRO 54 1HD PRO 54 10.404 4.819 0.841 359 2HD PRO 54 2HD PRO 54 9.851 3.284 1.479 360 H THR 55 H THR 55 15.248 4.361 3.130 361 HA THR 55 HA THR 55 15.269 7.128 3.625 362 HB THR 55 HB THR 55 17.371 5.061 2.817 363 HG1 THR 55 1HG THR 55 16.712 6.617 5.219 364 1HG2 THR 55 1HG2 THR 55 18.269 7.282 2.187 365 2HG2 THR 55 2HG2 THR 55 17.716 7.965 3.734 366 3HG2 THR 55 3HG2 THR 55 19.021 6.754 3.711 367 H GLY 56 H GLY 56 15.359 8.906 2.365 368 1HA GLY 56 1HA GLY 56 15.842 10.103 0.451 369 2HA GLY 56 2HA GLY 56 16.057 8.616 -0.452 370 H TYR 57 H TYR 57 13.308 7.955 1.235 371 HA TYR 57 HA TYR 57 11.604 9.131 -0.858 372 1HB TYR 57 1HB TYR 57 11.681 6.493 0.712 373 2HB TYR 57 2HB TYR 57 10.206 6.997 -0.089 374 HD1 TYR 57 1HD TYR 57 10.224 7.314 -2.613 375 HD2 TYR 57 2HD TYR 57 13.445 5.456 -0.498 376 HE1 TYR 57 1HE TYR 57 11.052 6.268 -4.778 377 HE2 TYR 57 2HE TYR 57 14.262 4.417 -2.669 378 HH TYR 57 HH TYR 57 13.678 3.937 -4.765 379 H ARG 58 H ARG 58 9.360 9.627 -0.218 380 HA ARG 58 HA ARG 58 8.912 9.758 2.610 381 1HB ARG 58 1HB ARG 58 9.463 12.155 0.889 382 2HB ARG 58 2HB ARG 58 8.110 12.310 1.991 383 1HG ARG 58 1HG ARG 58 9.641 12.842 3.586 384 2HG ARG 58 2HG ARG 58 10.057 11.140 3.611 385 1HD ARG 58 1HD ARG 58 12.163 11.998 3.151 386 2HD ARG 58 2HD ARG 58 11.585 11.845 1.503 387 HE ARG 58 HE ARG 58 10.753 14.393 2.480 388 1HH1 ARG 58 1HH1 ARG 58 13.750 12.705 1.628 389 2HH1 ARG 58 2HH1 ARG 58 14.594 14.159 1.207 390 1HH2 ARG 58 1HH2 ARG 58 13.468 16.266 1.389 391 H GLN 59 H GLN 59 6.765 9.245 2.981 392 HA GLN 59 HA GLN 59 5.072 8.361 1.190 393 1HB GLN 59 1HB GLN 59 4.756 8.465 3.705 394 2HB GLN 59 2HB GLN 59 4.172 10.106 3.523 395 1HG GLN 59 1HG GLN 59 2.625 8.800 1.645 396 2HG GLN 59 2HG GLN 59 2.833 7.531 2.836 397 1HE2 GLN 59 1HE2 GLN 59 2.126 11.010 2.600 398 2HE2 GLN 59 2HE2 GLN 59 0.930 11.080 3.851 399 H CYS 60 H CYS 60 3.467 9.096 -0.267 400 HA CYS 60 HA CYS 60 3.914 11.745 -1.234 401 1HB CYS 60 1HB CYS 60 2.190 9.442 -2.116 402 2HB CYS 60 2HB CYS 60 2.023 11.029 -2.839 Start of MODEL 6 1 1H ASP 1 1H ASP 1 -19.200 -9.124 -6.188 2 HA ASP 1 HA ASP 1 -21.309 -8.290 -7.019 3 1HB ASP 1 1HB ASP 1 -22.179 -10.707 -5.585 4 2HB ASP 1 2HB ASP 1 -23.095 -9.305 -5.073 5 H ARG 2 H ARG 2 -20.768 -9.489 -3.616 6 HA ARG 2 HA ARG 2 -21.305 -6.811 -2.676 7 1HB ARG 2 1HB ARG 2 -20.643 -9.092 -0.809 8 2HB ARG 2 2HB ARG 2 -21.769 -7.769 -0.575 9 1HG ARG 2 1HG ARG 2 -23.038 -8.926 -2.641 10 2HG ARG 2 2HG ARG 2 -22.155 -10.342 -2.106 11 1HD ARG 2 1HD ARG 2 -23.587 -8.726 -0.001 12 2HD ARG 2 2HD ARG 2 -24.571 -9.691 -1.084 13 HE ARG 2 HE ARG 2 -22.532 -11.421 -0.262 14 1HH1 ARG 2 1HH1 ARG 2 -25.030 -9.514 1.375 15 2HH1 ARG 2 2HH1 ARG 2 -25.164 -10.608 2.713 16 1HH2 ARG 2 1HH2 ARG 2 -23.789 -12.571 2.765 17 H CYS 3 H CYS 3 -19.787 -5.832 -1.031 18 HA CYS 3 HA CYS 3 -17.802 -5.361 -0.182 19 1HB CYS 3 1HB CYS 3 -16.323 -6.962 0.325 20 2HB CYS 3 2HB CYS 3 -17.594 -8.033 -0.233 21 H ARG 4 H ARG 4 -15.701 -4.413 -0.990 22 HA ARG 4 HA ARG 4 -15.896 -4.010 -3.866 23 1HB ARG 4 1HB ARG 4 -16.038 -2.086 -1.922 24 2HB ARG 4 2HB ARG 4 -14.303 -2.104 -2.175 25 1HG ARG 4 1HG ARG 4 -15.195 -2.113 -4.785 26 2HG ARG 4 2HG ARG 4 -16.477 -1.204 -4.010 27 1HD ARG 4 1HD ARG 4 -14.998 0.537 -4.453 28 2HD ARG 4 2HD ARG 4 -14.434 0.090 -2.857 29 HE ARG 4 HE ARG 4 -13.021 -1.543 -4.685 30 1HH1 ARG 4 1HH1 ARG 4 -13.303 1.912 -3.953 31 2HH1 ARG 4 2HH1 ARG 4 -11.700 2.285 -4.491 32 1HH2 ARG 4 1HH2 ARG 4 -10.307 0.527 -5.336 33 H TYR 5 H TYR 5 -14.468 -5.607 -4.647 34 HA TYR 5 HA TYR 5 -12.217 -6.566 -3.466 35 1HB TYR 5 1HB TYR 5 -13.185 -5.996 -6.302 36 2HB TYR 5 2HB TYR 5 -11.557 -6.617 -6.113 37 HD1 TYR 5 1HD TYR 5 -14.975 -7.489 -6.461 38 HD2 TYR 5 2HD TYR 5 -11.320 -8.808 -4.672 39 HE1 TYR 5 1HE TYR 5 -15.886 -9.859 -6.331 40 HE2 TYR 5 2HE TYR 5 -12.243 -11.174 -4.547 41 HH TYR 5 HH TYR 5 -13.836 -12.528 -5.389 42 H THR 6 H THR 6 -10.424 -5.580 -2.688 43 HA THR 6 HA THR 6 -9.378 -3.307 -4.245 44 HB THR 6 HB THR 6 -9.070 -3.582 -1.235 45 HG1 THR 6 1HG THR 6 -11.201 -2.926 -1.063 46 1HG2 THR 6 1HG2 THR 6 -8.784 -1.468 -3.332 47 2HG2 THR 6 2HG2 THR 6 -9.623 -0.952 -1.850 48 3HG2 THR 6 3HG2 THR 6 -7.972 -1.610 -1.756 49 H LEU 7 H LEU 7 -6.993 -2.927 -3.855 50 HA LEU 7 HA LEU 7 -5.705 -5.556 -3.844 51 1HB LEU 7 1HB LEU 7 -5.083 -2.934 -5.167 52 2HB LEU 7 2HB LEU 7 -3.824 -4.127 -4.916 53 HG LEU 7 HG LEU 7 -6.232 -5.260 -6.150 54 1HD1 LEU 7 1HD1 LEU 7 -4.720 -3.103 -7.650 55 2HD1 LEU 7 2HD1 LEU 7 -5.908 -4.225 -8.354 56 3HD1 LEU 7 3HD1 LEU 7 -6.421 -3.040 -7.130 57 1HD2 LEU 7 1HD2 LEU 7 -4.170 -6.506 -6.009 58 2HD2 LEU 7 2HD2 LEU 7 -4.547 -6.180 -7.717 59 3HD2 LEU 7 3HD2 LEU 7 -3.293 -5.230 -6.885 60 H CYS 8 H CYS 8 -4.955 -6.099 -1.860 61 HA CYS 8 HA CYS 8 -3.560 -3.975 -0.402 62 1HB CYS 8 1HB CYS 8 -5.171 -6.224 0.821 63 2HB CYS 8 2HB CYS 8 -4.275 -4.996 1.693 64 H CYS 9 H CYS 9 -1.837 -4.941 1.116 65 HA CYS 9 HA CYS 9 -0.413 -6.950 -0.373 66 1HB CYS 9 1HB CYS 9 0.240 -4.984 1.759 67 2HB CYS 9 2HB CYS 9 1.199 -6.449 1.717 68 H ASP 10 H ASP 10 0.391 -8.951 0.664 69 HA ASP 10 HA ASP 10 -1.483 -9.833 2.701 70 1HB ASP 10 1HB ASP 10 0.083 -11.187 0.508 71 2HB ASP 10 2HB ASP 10 -0.282 -12.130 1.938 72 H GLY 11 H GLY 11 1.415 -8.363 2.615 73 1HA GLY 11 1HA GLY 11 2.964 -8.178 4.288 74 2HA GLY 11 2HA GLY 11 2.377 -9.657 5.022 75 H ALA 12 H ALA 12 2.504 -11.054 2.269 76 HA ALA 12 HA ALA 12 5.300 -11.793 2.522 77 1HB ALA 12 1HB ALA 12 4.365 -13.497 0.694 78 2HB ALA 12 2HB ALA 12 4.023 -13.716 2.427 79 3HB ALA 12 3HB ALA 12 2.799 -12.981 1.363 80 H LEU 13 H LEU 13 5.053 -9.177 1.594 81 HA LEU 13 HA LEU 13 5.212 -7.847 -0.233 82 1HB LEU 13 1HB LEU 13 7.509 -9.792 -0.468 83 2HB LEU 13 2HB LEU 13 7.406 -8.288 -1.363 84 HG LEU 13 HG LEU 13 8.850 -8.026 0.558 85 1HD1 LEU 13 1HD1 LEU 13 7.902 -6.042 1.530 86 2HD1 LEU 13 2HD1 LEU 13 7.436 -6.118 -0.186 87 3HD1 LEU 13 3HD1 LEU 13 6.257 -6.549 1.076 88 1HD2 LEU 13 1HD2 LEU 13 6.614 -8.413 2.506 89 2HD2 LEU 13 2HD2 LEU 13 7.454 -9.844 1.863 90 3HD2 LEU 13 3HD2 LEU 13 8.371 -8.586 2.726 91 H LYS 14 H LYS 14 3.073 -9.276 -0.880 92 HA LYS 14 HA LYS 14 3.445 -9.676 -3.710 93 1HB LYS 14 1HB LYS 14 3.784 -11.913 -2.246 94 2HB LYS 14 2HB LYS 14 2.038 -11.942 -2.387 95 1HG LYS 14 1HG LYS 14 3.082 -13.165 -4.268 96 2HG LYS 14 2HG LYS 14 2.198 -11.770 -4.854 97 1HD LYS 14 1HD LYS 14 4.888 -10.915 -4.245 98 2HD LYS 14 2HD LYS 14 4.996 -12.384 -5.195 99 1HE LYS 14 1HE LYS 14 2.939 -10.553 -6.247 100 2HE LYS 14 2HE LYS 14 4.516 -9.791 -6.183 101 1HZ LYS 14 1HZ LYS 14 5.187 -12.142 -7.224 102 2HZ LYS 14 2HZ LYS 14 3.662 -12.068 -7.790 103 H ALA 15 H ALA 15 2.208 -7.652 -3.589 104 HA ALA 15 HA ALA 15 -0.210 -7.365 -2.317 105 1HB ALA 15 1HB ALA 15 1.240 -5.660 -3.580 106 2HB ALA 15 2HB ALA 15 0.434 -6.235 -5.059 107 3HB ALA 15 3HB ALA 15 -0.523 -5.494 -3.754 108 H VAL 16 H VAL 16 -2.342 -7.926 -2.752 109 HA VAL 16 HA VAL 16 -2.947 -9.189 -5.282 110 HB VAL 16 HB VAL 16 -2.016 -10.961 -3.762 111 1HG1 VAL 16 1HG1 VAL 16 -2.676 -10.990 -1.629 112 2HG1 VAL 16 2HG1 VAL 16 -3.970 -9.812 -1.956 113 3HG1 VAL 16 3HG1 VAL 16 -4.269 -11.551 -2.189 114 1HG2 VAL 16 1HG2 VAL 16 -3.614 -11.361 -5.674 115 2HG2 VAL 16 2HG2 VAL 16 -3.633 -12.604 -4.400 116 3HG2 VAL 16 3HG2 VAL 16 -4.931 -11.388 -4.477 117 H SER 17 H SER 17 -5.376 -9.646 -5.409 118 HA SER 17 HA SER 17 -6.674 -7.386 -4.206 119 1HB SER 17 1HB SER 17 -8.152 -9.323 -5.965 120 2HB SER 17 2HB SER 17 -8.259 -7.574 -5.904 121 HG SER 17 HG SER 17 -5.893 -7.735 -6.756 122 H ALA 18 H ALA 18 -8.174 -7.501 -2.538 123 HA ALA 18 HA ALA 18 -9.003 -10.204 -1.731 124 1HB ALA 18 1HB ALA 18 -8.154 -9.870 0.328 125 2HB ALA 18 2HB ALA 18 -7.310 -8.452 -0.340 126 3HB ALA 18 3HB ALA 18 -8.897 -8.256 0.441 127 H CYS 19 H CYS 19 -11.117 -10.285 -0.626 128 HA CYS 19 HA CYS 19 -12.857 -8.242 -1.744 129 1HB CYS 19 1HB CYS 19 -13.438 -10.501 -2.312 130 2HB CYS 19 2HB CYS 19 -13.404 -10.998 -0.631 131 H LEU 20 H LEU 20 -12.288 -6.568 -0.165 132 HA LEU 20 HA LEU 20 -13.272 -7.180 2.536 133 1HB LEU 20 1HB LEU 20 -10.808 -6.061 1.622 134 2HB LEU 20 2HB LEU 20 -11.684 -4.822 2.499 135 HG LEU 20 HG LEU 20 -11.988 -6.756 4.288 136 1HD1 LEU 20 1HD1 LEU 20 -10.743 -8.587 4.084 137 2HD1 LEU 20 2HD1 LEU 20 -10.405 -8.081 2.411 138 3HD1 LEU 20 3HD1 LEU 20 -9.281 -7.640 3.719 139 1HD2 LEU 20 1HD2 LEU 20 -10.784 -4.507 4.442 140 2HD2 LEU 20 2HD2 LEU 20 -10.251 -5.800 5.543 141 3HD2 LEU 20 3HD2 LEU 20 -9.292 -5.413 4.093 142 H HIS 21 H HIS 21 -14.369 -5.344 3.655 143 HA HIS 21 HA HIS 21 -16.006 -3.941 1.699 144 1HB HIS 21 1HB HIS 21 -16.523 -4.105 4.665 145 2HB HIS 21 2HB HIS 21 -17.660 -3.766 3.375 146 HD1 HIS 21 1HD HIS 21 -18.088 -5.907 1.666 147 HD2 HIS 21 2HD HIS 21 -16.463 -6.734 5.444 148 HE1 HIS 21 1HE HIS 21 -18.465 -8.396 2.076 149 H GLU 22 H GLU 22 -16.793 -1.661 2.597 150 HA GLU 22 HA GLU 22 -14.491 -0.086 2.644 151 1HB GLU 22 1HB GLU 22 -17.378 0.289 2.475 152 2HB GLU 22 2HB GLU 22 -16.677 1.494 3.539 153 1HG GLU 22 1HG GLU 22 -16.539 2.468 1.368 154 2HG GLU 22 2HG GLU 22 -14.912 1.904 1.697 155 H SER 23 H SER 23 -16.612 -1.427 5.165 156 HA SER 23 HA SER 23 -15.583 0.292 7.178 157 1HB SER 23 1HB SER 23 -17.725 -1.616 6.901 158 2HB SER 23 2HB SER 23 -16.774 -2.081 8.296 159 HG SER 23 HG SER 23 -18.319 0.263 7.853 160 H GLU 24 H GLU 24 -14.097 -2.037 5.407 161 HA GLU 24 HA GLU 24 -12.546 -2.932 7.710 162 1HB GLU 24 1HB GLU 24 -14.031 -4.640 6.267 163 2HB GLU 24 2HB GLU 24 -12.646 -4.588 5.194 164 1HG GLU 24 1HG GLU 24 -11.159 -5.125 7.188 165 2HG GLU 24 2HG GLU 24 -12.604 -5.321 8.159 166 H SER 25 H SER 25 -10.231 -3.059 7.413 167 HA SER 25 HA SER 25 -9.326 -1.827 4.934 168 1HB SER 25 1HB SER 25 -9.285 -0.602 7.477 169 2HB SER 25 2HB SER 25 -7.639 -1.155 7.238 170 HG SER 25 HG SER 25 -9.180 0.648 5.600 171 H CYS 26 H CYS 26 -7.110 -2.437 4.303 172 HA CYS 26 HA CYS 26 -6.085 -4.725 5.808 173 1HB CYS 26 1HB CYS 26 -5.385 -5.422 3.301 174 2HB CYS 26 2HB CYS 26 -6.799 -6.027 4.143 175 H LEU 27 H LEU 27 -3.696 -5.173 4.950 176 HA LEU 27 HA LEU 27 -2.222 -2.850 5.407 177 1HB LEU 27 1HB LEU 27 -1.661 -5.371 5.691 178 2HB LEU 27 2HB LEU 27 -1.121 -5.276 4.026 179 HG LEU 27 HG LEU 27 -0.081 -3.326 6.070 180 1HD1 LEU 27 1HD1 LEU 27 0.229 -6.145 6.257 181 2HD1 LEU 27 2HD1 LEU 27 1.784 -5.460 5.729 182 3HD1 LEU 27 3HD1 LEU 27 1.013 -4.871 7.221 183 1HD2 LEU 27 1HD2 LEU 27 1.533 -2.821 4.550 184 2HD2 LEU 27 2HD2 LEU 27 1.564 -4.462 3.862 185 3HD2 LEU 27 3HD2 LEU 27 0.254 -3.339 3.426 186 H VAL 28 H VAL 28 -2.846 -1.168 4.007 187 HA VAL 28 HA VAL 28 -2.761 -1.625 1.169 188 HB VAL 28 HB VAL 28 -4.216 -0.011 2.726 189 1HG1 VAL 28 1HG1 VAL 28 -3.438 2.117 3.030 190 2HG1 VAL 28 2HG1 VAL 28 -1.887 1.248 3.098 191 3HG1 VAL 28 3HG1 VAL 28 -2.386 2.059 1.595 192 1HG2 VAL 28 1HG2 VAL 28 -4.027 -0.503 0.064 193 2HG2 VAL 28 2HG2 VAL 28 -5.147 0.680 0.781 194 3HG2 VAL 28 3HG2 VAL 28 -3.594 1.223 0.103 195 HA PRO 29 HA PRO 29 1.376 -0.485 0.643 196 1HB PRO 29 1HB PRO 29 1.382 0.241 -1.992 197 2HB PRO 29 2HB PRO 29 1.440 -1.427 -1.458 198 1HG PRO 29 1HG PRO 29 -0.833 0.072 -2.612 199 2HG PRO 29 2HG PRO 29 -0.618 -1.663 -2.471 200 1HD PRO 29 1HD PRO 29 -2.285 0.000 -0.832 201 2HD PRO 29 2HD PRO 29 -1.981 -1.712 -0.620 202 H GLY 30 H GLY 30 2.734 1.371 -0.711 203 1HA GLY 30 1HA GLY 30 1.439 3.930 -0.150 204 2HA GLY 30 2HA GLY 30 2.880 3.542 0.769 205 H ASP 31 H ASP 31 2.243 5.596 -1.449 206 HA ASP 31 HA ASP 31 4.186 4.698 -3.407 207 1HB ASP 31 1HB ASP 31 2.460 7.212 -3.476 208 2HB ASP 31 2HB ASP 31 3.343 6.510 -4.817 209 H CYS 32 H CYS 32 6.243 5.204 -2.542 210 HA CYS 32 HA CYS 32 6.563 7.700 -1.126 211 1HB CYS 32 1HB CYS 32 8.377 5.343 -1.628 212 2HB CYS 32 2HB CYS 32 8.961 6.834 -0.914 213 H CYS 33 H CYS 33 7.098 9.553 -2.227 214 HA CYS 33 HA CYS 33 8.360 9.195 -4.845 215 1HB CYS 33 1HB CYS 33 6.296 11.064 -3.824 216 2HB CYS 33 2HB CYS 33 7.487 11.747 -4.911 217 H ARG 34 H ARG 34 10.312 10.321 -5.256 218 HA ARG 34 HA ARG 34 11.232 12.044 -3.118 219 1HB ARG 34 1HB ARG 34 12.179 9.661 -2.887 220 2HB ARG 34 2HB ARG 34 13.007 9.917 -4.411 221 1HG ARG 34 1HG ARG 34 13.325 11.819 -2.050 222 2HG ARG 34 2HG ARG 34 14.353 10.416 -2.262 223 1HD ARG 34 1HD ARG 34 14.218 12.937 -3.903 224 2HD ARG 34 2HD ARG 34 15.624 12.040 -3.366 225 HE ARG 34 HE ARG 34 14.174 11.639 -5.844 226 1HH1 ARG 34 1HH1 ARG 34 16.060 9.918 -3.388 227 2HH1 ARG 34 2HH1 ARG 34 16.554 8.660 -4.470 228 1HH2 ARG 34 1HH2 ARG 34 15.817 8.715 -6.749 229 H GLY 35 H GLY 35 12.084 13.943 -3.948 230 1HA GLY 35 1HA GLY 35 12.702 15.474 -5.477 231 2HA GLY 35 2HA GLY 35 13.775 14.231 -6.087 232 H LYS 36 H LYS 36 13.206 12.989 -7.945 233 HA LYS 36 HA LYS 36 10.674 13.745 -9.207 234 1HB LYS 36 1HB LYS 36 11.781 14.055 -11.348 235 2HB LYS 36 2HB LYS 36 12.422 15.173 -10.161 236 1HG LYS 36 1HG LYS 36 14.443 13.895 -9.884 237 2HG LYS 36 2HG LYS 36 13.763 12.492 -10.682 238 1HD LYS 36 1HD LYS 36 14.207 13.303 -12.784 239 2HD LYS 36 2HD LYS 36 13.739 14.939 -12.364 240 1HE LYS 36 1HE LYS 36 16.087 14.507 -10.863 241 2HE LYS 36 2HE LYS 36 16.419 13.715 -12.391 242 1HZ LYS 36 1HZ LYS 36 16.679 15.726 -13.323 243 2HZ LYS 36 2HZ LYS 36 15.179 16.199 -12.903 244 H SER 37 H SER 37 10.854 11.482 -7.703 245 HA SER 37 HA SER 37 10.673 9.502 -9.769 246 1HB SER 37 1HB SER 37 12.785 9.476 -7.635 247 2HB SER 37 2HB SER 37 12.011 7.947 -8.002 248 HG SER 37 HG SER 37 12.515 8.865 -10.389 249 H ARG 38 H ARG 38 9.473 7.549 -9.004 250 HA ARG 38 HA ARG 38 8.172 8.018 -6.449 251 1HB ARG 38 1HB ARG 38 6.591 8.767 -8.174 252 2HB ARG 38 2HB ARG 38 6.829 7.299 -9.100 253 1HG ARG 38 1HG ARG 38 5.895 5.966 -7.171 254 2HG ARG 38 2HG ARG 38 5.595 7.463 -6.310 255 1HD ARG 38 1HD ARG 38 3.508 7.129 -7.313 256 2HD ARG 38 2HD ARG 38 4.274 8.148 -8.515 257 HE ARG 38 HE ARG 38 4.955 5.495 -9.200 258 1HH1 ARG 38 1HH1 ARG 38 1.996 7.421 -8.913 259 2HH1 ARG 38 2HH1 ARG 38 1.138 6.510 -10.111 260 1HH2 ARG 38 1HH2 ARG 38 2.234 4.675 -11.197 261 H LEU 39 H LEU 39 7.331 6.018 -5.425 262 HA LEU 39 HA LEU 39 8.003 3.523 -6.716 263 1HB LEU 39 1HB LEU 39 10.126 4.079 -5.760 264 2HB LEU 39 2HB LEU 39 9.397 4.481 -4.218 265 HG LEU 39 HG LEU 39 8.683 2.064 -4.020 266 1HD1 LEU 39 1HD1 LEU 39 10.131 1.945 -6.621 267 2HD1 LEU 39 2HD1 LEU 39 10.348 0.589 -5.489 268 3HD1 LEU 39 3HD1 LEU 39 8.716 1.032 -6.045 269 1HD2 LEU 39 1HD2 LEU 39 11.422 1.504 -3.962 270 2HD2 LEU 39 2HD2 LEU 39 11.300 3.256 -3.678 271 3HD2 LEU 39 3HD2 LEU 39 10.414 2.121 -2.631 272 H THR 40 H THR 40 6.098 2.472 -6.542 273 HA THR 40 HA THR 40 4.554 2.877 -4.077 274 HB THR 40 HB THR 40 3.657 1.637 -6.723 275 HG1 THR 40 1HG THR 40 3.545 3.750 -7.423 276 1HG2 THR 40 1HG2 THR 40 1.776 1.386 -5.400 277 2HG2 THR 40 2HG2 THR 40 2.362 2.549 -4.187 278 3HG2 THR 40 3HG2 THR 40 1.588 3.135 -5.679 279 H LEU 41 H LEU 41 5.242 1.484 -2.539 280 HA LEU 41 HA LEU 41 4.855 -1.314 -3.130 281 1HB LEU 41 1HB LEU 41 6.955 -2.045 -3.033 282 2HB LEU 41 2HB LEU 41 7.346 -0.423 -3.567 283 HG LEU 41 HG LEU 41 7.288 -0.153 -0.812 284 1HD1 LEU 41 1HD1 LEU 41 7.103 -2.662 -0.683 285 2HD1 LEU 41 2HD1 LEU 41 8.735 -2.745 -1.389 286 3HD1 LEU 41 3HD1 LEU 41 8.485 -1.948 0.182 287 1HD2 LEU 41 1HD2 LEU 41 9.382 -0.357 -2.915 288 2HD2 LEU 41 2HD2 LEU 41 8.999 0.970 -1.794 289 3HD2 LEU 41 3HD2 LEU 41 9.913 -0.444 -1.219 290 H CYS 42 H CYS 42 5.190 -2.614 -0.985 291 HA CYS 42 HA CYS 42 3.814 -1.071 1.037 292 1HB CYS 42 1HB CYS 42 4.317 -4.019 0.654 293 2HB CYS 42 2HB CYS 42 3.661 -3.373 2.145 294 H SER 43 H SER 43 4.752 -0.509 3.022 295 HA SER 43 HA SER 43 7.127 -1.800 3.877 296 1HB SER 43 1HB SER 43 7.307 0.694 2.346 297 2HB SER 43 2HB SER 43 7.980 0.890 3.952 298 HG SER 43 HG SER 43 9.499 0.095 2.260 299 H TYR 44 H TYR 44 6.744 -2.005 6.050 300 HA TYR 44 HA TYR 44 4.990 -0.060 7.319 301 1HB TYR 44 1HB TYR 44 6.324 -2.423 8.684 302 2HB TYR 44 2HB TYR 44 4.670 -1.867 8.854 303 HD1 TYR 44 1HD TYR 44 5.785 -4.747 8.370 304 HD2 TYR 44 2HD TYR 44 4.108 -1.777 5.786 305 HE1 TYR 44 1HE TYR 44 5.004 -6.566 6.773 306 HE2 TYR 44 2HE TYR 44 3.333 -3.605 4.199 307 HH TYR 44 HH TYR 44 4.504 -6.491 4.067 308 H GLY 45 H GLY 45 5.553 0.722 9.552 309 1HA GLY 45 1HA GLY 45 7.984 0.636 10.769 310 2HA GLY 45 2HA GLY 45 8.197 1.852 9.524 311 H GLU 46 H GLU 46 8.191 2.238 12.456 312 HA GLU 46 HA GLU 46 7.450 3.644 13.935 313 1HB GLU 46 1HB GLU 46 6.908 4.939 11.404 314 2HB GLU 46 2HB GLU 46 5.635 5.362 12.533 315 1HG GLU 46 1HG GLU 46 8.635 5.757 12.887 316 2HG GLU 46 2HG GLU 46 7.398 6.995 12.815 317 H GLY 47 H GLY 47 5.673 1.289 12.689 318 1HA GLY 47 1HA GLY 47 3.769 1.175 14.692 319 2HA GLY 47 2HA GLY 47 2.990 1.968 13.337 320 H GLY 48 H GLY 48 4.176 -1.050 14.643 321 1HA GLY 48 1HA GLY 48 4.612 -2.748 12.631 322 2HA GLY 48 2HA GLY 48 3.618 -3.161 14.013 323 H ASN 49 H ASN 49 1.483 -1.162 13.379 324 HA ASN 49 HA ASN 49 0.359 -2.607 11.112 325 1HB ASN 49 1HB ASN 49 -0.841 -1.459 13.652 326 2HB ASN 49 2HB ASN 49 -1.858 -1.597 12.232 327 1HD2 ASN 49 1HD2 ASN 49 -2.821 -3.001 14.085 328 2HD2 ASN 49 2HD2 ASN 49 -2.461 -4.694 14.011 329 H GLY 50 H GLY 50 1.417 -0.983 9.650 330 1HA GLY 50 1HA GLY 50 -0.185 1.015 8.722 331 2HA GLY 50 2HA GLY 50 0.794 1.807 9.940 332 H PHE 51 H PHE 51 1.145 2.746 7.427 333 HA PHE 51 HA PHE 51 3.540 1.374 6.437 334 1HB PHE 51 1HB PHE 51 1.525 1.690 4.908 335 2HB PHE 51 2HB PHE 51 1.612 3.419 5.181 336 HD1 PHE 51 1HD PHE 51 3.208 0.561 3.529 337 HD2 PHE 51 2HD PHE 51 3.295 4.767 4.090 338 HE1 PHE 51 1HE PHE 51 4.774 0.789 1.581 339 HE2 PHE 51 2HE PHE 51 4.861 4.994 2.141 340 HZ PHE 51 HZ PHE 51 5.581 3.003 0.910 341 H GLN 52 H GLN 52 5.415 2.646 5.869 342 HA GLN 52 HA GLN 52 5.351 5.413 6.638 343 1HB GLN 52 1HB GLN 52 5.874 4.257 8.768 344 2HB GLN 52 2HB GLN 52 7.209 3.416 8.006 345 1HG GLN 52 1HG GLN 52 8.248 5.257 9.091 346 2HG GLN 52 2HG GLN 52 8.153 5.761 7.416 347 1HE2 GLN 52 1HE2 GLN 52 7.654 7.798 7.234 348 2HE2 GLN 52 2HE2 GLN 52 6.510 8.694 8.175 349 H CYS 53 H CYS 53 6.585 6.589 5.215 350 HA CYS 53 HA CYS 53 7.915 5.219 3.144 351 1HB CYS 53 1HB CYS 53 7.291 8.013 3.843 352 2HB CYS 53 2HB CYS 53 8.763 7.806 2.916 353 HA PRO 54 HA PRO 54 11.887 5.025 4.922 354 1HB PRO 54 1HB PRO 54 13.480 4.907 2.704 355 2HB PRO 54 2HB PRO 54 12.614 3.521 3.337 356 1HG PRO 54 1HG PRO 54 12.002 5.160 0.954 357 2HG PRO 54 2HG PRO 54 11.425 3.555 1.360 358 1HD PRO 54 1HD PRO 54 9.963 6.012 1.585 359 2HD PRO 54 2HD PRO 54 9.429 4.424 2.099 360 H THR 55 H THR 55 14.141 6.002 5.029 361 HA THR 55 HA THR 55 13.757 8.784 5.339 362 HB THR 55 HB THR 55 15.416 6.945 6.423 363 HG1 THR 55 1HG THR 55 15.674 8.919 7.393 364 1HG2 THR 55 1HG2 THR 55 17.671 7.143 5.611 365 2HG2 THR 55 2HG2 THR 55 16.700 6.818 4.155 366 3HG2 THR 55 3HG2 THR 55 17.239 8.476 4.514 367 H GLY 56 H GLY 56 13.919 10.447 3.967 368 1HA GLY 56 1HA GLY 56 14.938 11.628 2.243 369 2HA GLY 56 2HA GLY 56 15.593 10.142 1.585 370 H TYR 57 H TYR 57 12.463 9.341 2.417 371 HA TYR 57 HA TYR 57 11.488 10.069 -0.263 372 1HB TYR 57 1HB TYR 57 11.146 7.690 1.649 373 2HB TYR 57 2HB TYR 57 10.021 7.933 0.328 374 HD1 TYR 57 1HD TYR 57 13.568 7.223 1.153 375 HD2 TYR 57 2HD TYR 57 10.595 7.345 -1.922 376 HE1 TYR 57 1HE TYR 57 15.130 5.976 -0.418 377 HE2 TYR 57 2HE TYR 57 12.168 6.098 -3.483 378 HH TYR 57 HH TYR 57 14.685 4.391 -2.515 379 H ARG 58 H ARG 58 9.120 10.390 -0.455 380 HA ARG 58 HA ARG 58 7.778 10.889 2.028 381 1HB ARG 58 1HB ARG 58 7.110 13.222 1.308 382 2HB ARG 58 2HB ARG 58 8.819 13.070 1.662 383 1HG ARG 58 1HG ARG 58 9.256 12.726 -0.810 384 2HG ARG 58 2HG ARG 58 7.554 13.009 -1.118 385 1HD ARG 58 1HD ARG 58 8.361 15.173 -1.424 386 2HD ARG 58 2HD ARG 58 7.992 15.247 0.288 387 HE ARG 58 HE ARG 58 10.650 14.257 0.029 388 1HH1 ARG 58 1HH1 ARG 58 8.854 17.251 -0.571 389 2HH1 ARG 58 2HH1 ARG 58 10.234 18.272 -0.336 390 1HH2 ARG 58 1HH2 ARG 58 12.350 17.281 0.199 391 H GLN 59 H GLN 59 5.598 10.355 1.817 392 HA GLN 59 HA GLN 59 4.628 8.967 -0.204 393 1HB GLN 59 1HB GLN 59 2.375 9.520 0.591 394 2HB GLN 59 2HB GLN 59 3.463 9.357 1.956 395 1HG GLN 59 1HG GLN 59 3.764 12.025 1.484 396 2HG GLN 59 2HG GLN 59 2.139 11.818 0.860 397 1HE2 GLN 59 1HE2 GLN 59 0.679 10.441 2.281 398 2HE2 GLN 59 2HE2 GLN 59 0.693 10.771 3.982 399 H CYS 60 H CYS 60 3.454 9.292 -2.167 400 HA CYS 60 HA CYS 60 4.157 11.722 -3.492 401 1HB CYS 60 1HB CYS 60 3.780 9.129 -4.298 402 2HB CYS 60 2HB CYS 60 2.300 9.888 -4.849 Start of MODEL 7 1 1H ASP 1 1H ASP 1 -23.539 -11.784 -0.936 2 HA ASP 1 HA ASP 1 -23.968 -9.244 -0.640 3 1HB ASP 1 1HB ASP 1 -21.139 -10.244 -0.153 4 2HB ASP 1 2HB ASP 1 -22.056 -9.108 0.815 5 H ARG 2 H ARG 2 -21.977 -7.422 -0.665 6 HA ARG 2 HA ARG 2 -20.953 -7.487 -3.391 7 1HB ARG 2 1HB ARG 2 -21.619 -4.898 -1.942 8 2HB ARG 2 2HB ARG 2 -21.450 -5.163 -3.666 9 1HG ARG 2 1HG ARG 2 -23.694 -5.454 -3.795 10 2HG ARG 2 2HG ARG 2 -23.520 -6.930 -2.866 11 1HD ARG 2 1HD ARG 2 -24.763 -5.929 -1.244 12 2HD ARG 2 2HD ARG 2 -23.366 -4.927 -0.903 13 HE ARG 2 HE ARG 2 -24.799 -3.816 -3.134 14 1HH1 ARG 2 1HH1 ARG 2 -25.079 -4.204 0.377 15 2HH1 ARG 2 2HH1 ARG 2 -26.069 -2.797 0.578 16 1HH2 ARG 2 1HH2 ARG 2 -26.661 -1.494 -1.345 17 H CYS 3 H CYS 3 -18.946 -6.058 -3.688 18 HA CYS 3 HA CYS 3 -17.562 -5.070 -1.481 19 1HB CYS 3 1HB CYS 3 -16.063 -6.663 -0.855 20 2HB CYS 3 2HB CYS 3 -17.478 -7.655 -1.146 21 H ARG 4 H ARG 4 -15.300 -4.377 -2.199 22 HA ARG 4 HA ARG 4 -15.261 -4.210 -5.107 23 1HB ARG 4 1HB ARG 4 -14.879 -2.162 -2.968 24 2HB ARG 4 2HB ARG 4 -13.701 -2.079 -4.263 25 1HG ARG 4 1HG ARG 4 -15.474 -0.685 -5.014 26 2HG ARG 4 2HG ARG 4 -15.710 -2.178 -5.899 27 1HD ARG 4 1HD ARG 4 -17.852 -2.108 -5.104 28 2HD ARG 4 2HD ARG 4 -17.170 -2.682 -3.594 29 HE ARG 4 HE ARG 4 -16.868 0.153 -3.657 30 1HH1 ARG 4 1HH1 ARG 4 -19.461 -2.252 -3.454 31 2HH1 ARG 4 2HH1 ARG 4 -20.533 -1.205 -2.585 32 1HH2 ARG 4 1HH2 ARG 4 -19.818 1.017 -2.040 33 H TYR 5 H TYR 5 -13.873 -6.052 -5.391 34 HA TYR 5 HA TYR 5 -11.738 -6.819 -3.940 35 1HB TYR 5 1HB TYR 5 -12.562 -6.739 -6.851 36 2HB TYR 5 2HB TYR 5 -10.890 -7.174 -6.562 37 HD1 TYR 5 1HD TYR 5 -14.121 -8.455 -6.969 38 HD2 TYR 5 2HD TYR 5 -10.576 -9.044 -4.647 39 HE1 TYR 5 1HE TYR 5 -14.818 -10.854 -6.499 40 HE2 TYR 5 2HE TYR 5 -11.286 -11.440 -4.184 41 HH TYR 5 HH TYR 5 -13.935 -12.891 -5.867 42 H THR 6 H THR 6 -10.052 -5.679 -3.122 43 HA THR 6 HA THR 6 -8.823 -3.678 -4.903 44 HB THR 6 HB THR 6 -8.686 -3.620 -1.866 45 HG1 THR 6 1HG THR 6 -10.712 -2.379 -2.069 46 1HG2 THR 6 1HG2 THR 6 -8.489 -1.640 -4.166 47 2HG2 THR 6 2HG2 THR 6 -8.982 -1.080 -2.550 48 3HG2 THR 6 3HG2 THR 6 -7.391 -1.846 -2.780 49 H LEU 7 H LEU 7 -6.457 -3.298 -4.452 50 HA LEU 7 HA LEU 7 -5.226 -5.927 -4.101 51 1HB LEU 7 1HB LEU 7 -4.364 -3.416 -5.528 52 2HB LEU 7 2HB LEU 7 -3.265 -4.743 -5.207 53 HG LEU 7 HG LEU 7 -5.516 -5.933 -6.406 54 1HD1 LEU 7 1HD1 LEU 7 -6.208 -3.635 -7.076 55 2HD1 LEU 7 2HD1 LEU 7 -4.690 -3.489 -7.994 56 3HD1 LEU 7 3HD1 LEU 7 -5.889 -4.724 -8.447 57 1HD2 LEU 7 1HD2 LEU 7 -2.737 -5.261 -7.381 58 2HD2 LEU 7 2HD2 LEU 7 -3.356 -6.808 -6.755 59 3HD2 LEU 7 3HD2 LEU 7 -3.893 -6.213 -8.344 60 H CYS 8 H CYS 8 -4.611 -6.310 -2.036 61 HA CYS 8 HA CYS 8 -3.326 -4.071 -0.649 62 1HB CYS 8 1HB CYS 8 -5.029 -6.279 0.523 63 2HB CYS 8 2HB CYS 8 -4.085 -5.145 1.469 64 H CYS 9 H CYS 9 -1.714 -4.950 1.086 65 HA CYS 9 HA CYS 9 -0.231 -7.113 -0.181 66 1HB CYS 9 1HB CYS 9 0.499 -4.736 1.444 67 2HB CYS 9 2HB CYS 9 1.471 -6.175 1.679 68 H ASP 10 H ASP 10 0.726 -8.801 1.266 69 HA ASP 10 HA ASP 10 -1.187 -9.488 3.287 70 1HB ASP 10 1HB ASP 10 1.106 -10.881 1.888 71 2HB ASP 10 2HB ASP 10 0.520 -11.545 3.401 72 H GLY 11 H GLY 11 1.729 -7.740 3.040 73 1HA GLY 11 1HA GLY 11 2.778 -6.696 4.822 74 2HA GLY 11 2HA GLY 11 2.183 -7.924 5.920 75 H ALA 12 H ALA 12 2.961 -10.241 4.243 76 HA ALA 12 HA ALA 12 5.815 -9.988 3.911 77 1HB ALA 12 1HB ALA 12 5.752 -10.377 6.290 78 2HB ALA 12 2HB ALA 12 4.557 -11.682 6.101 79 3HB ALA 12 3HB ALA 12 6.221 -11.908 5.512 80 H LEU 13 H LEU 13 4.930 -10.381 1.704 81 HA LEU 13 HA LEU 13 5.294 -12.987 0.913 82 1HB LEU 13 1HB LEU 13 3.340 -13.706 1.984 83 2HB LEU 13 2HB LEU 13 2.424 -12.302 1.474 84 HG LEU 13 HG LEU 13 3.094 -13.420 -0.943 85 1HD1 LEU 13 1HD1 LEU 13 4.016 -15.432 -0.323 86 2HD1 LEU 13 2HD1 LEU 13 2.979 -15.596 1.114 87 3HD1 LEU 13 3HD1 LEU 13 2.304 -15.881 -0.508 88 1HD2 LEU 13 1HD2 LEU 13 0.762 -14.161 -1.039 89 2HD2 LEU 13 2HD2 LEU 13 0.625 -13.972 0.725 90 3HD2 LEU 13 3HD2 LEU 13 0.906 -12.547 -0.304 91 H LYS 14 H LYS 14 2.474 -11.277 -0.397 92 HA LYS 14 HA LYS 14 3.957 -9.585 -2.116 93 1HB LYS 14 1HB LYS 14 3.617 -10.712 -4.224 94 2HB LYS 14 2HB LYS 14 4.544 -11.744 -3.155 95 1HG LYS 14 1HG LYS 14 2.988 -13.303 -3.864 96 2HG LYS 14 2HG LYS 14 2.103 -12.665 -2.493 97 1HD LYS 14 1HD LYS 14 0.686 -12.783 -4.549 98 2HD LYS 14 2HD LYS 14 0.831 -11.144 -3.945 99 1HE LYS 14 1HE LYS 14 1.943 -10.424 -5.813 100 2HE LYS 14 2HE LYS 14 2.978 -11.836 -5.857 101 1HZ LYS 14 1HZ LYS 14 1.023 -11.413 -7.624 102 2HZ LYS 14 2HZ LYS 14 1.551 -12.908 -7.253 103 H ALA 15 H ALA 15 2.576 -8.123 -3.214 104 HA ALA 15 HA ALA 15 0.076 -7.762 -2.003 105 1HB ALA 15 1HB ALA 15 1.817 -6.437 -3.933 106 2HB ALA 15 2HB ALA 15 0.106 -6.306 -4.407 107 3HB ALA 15 3HB ALA 15 0.632 -5.733 -2.806 108 H VAL 16 H VAL 16 -2.022 -8.251 -2.655 109 HA VAL 16 HA VAL 16 -2.414 -9.450 -5.255 110 HB VAL 16 HB VAL 16 -1.652 -11.254 -3.636 111 1HG1 VAL 16 1HG1 VAL 16 -3.697 -10.116 -2.033 112 2HG1 VAL 16 2HG1 VAL 16 -4.249 -11.742 -2.499 113 3HG1 VAL 16 3HG1 VAL 16 -2.683 -11.535 -1.679 114 1HG2 VAL 16 1HG2 VAL 16 -3.095 -12.880 -4.593 115 2HG2 VAL 16 2HG2 VAL 16 -4.423 -11.708 -4.771 116 3HG2 VAL 16 3HG2 VAL 16 -2.971 -11.568 -5.790 117 H SER 17 H SER 17 -4.851 -9.915 -5.563 118 HA SER 17 HA SER 17 -6.210 -7.640 -4.444 119 1HB SER 17 1HB SER 17 -7.493 -9.551 -6.396 120 2HB SER 17 2HB SER 17 -7.703 -7.817 -6.250 121 HG SER 17 HG SER 17 -5.098 -8.223 -6.819 122 H ALA 18 H ALA 18 -7.882 -7.764 -2.940 123 HA ALA 18 HA ALA 18 -8.878 -10.453 -2.316 124 1HB ALA 18 1HB ALA 18 -8.849 -8.922 0.073 125 2HB ALA 18 2HB ALA 18 -7.858 -10.348 -0.318 126 3HB ALA 18 3HB ALA 18 -7.248 -8.714 -0.675 127 H CYS 19 H CYS 19 -11.035 -10.417 -1.250 128 HA CYS 19 HA CYS 19 -12.573 -8.212 -2.344 129 1HB CYS 19 1HB CYS 19 -13.379 -10.344 -2.992 130 2HB CYS 19 2HB CYS 19 -13.309 -10.963 -1.355 131 H LEU 20 H LEU 20 -12.076 -6.558 -0.781 132 HA LEU 20 HA LEU 20 -12.993 -7.176 1.940 133 1HB LEU 20 1HB LEU 20 -11.323 -5.950 2.803 134 2HB LEU 20 2HB LEU 20 -10.532 -6.438 1.318 135 HG LEU 20 HG LEU 20 -11.912 -4.026 0.739 136 1HD1 LEU 20 1HD1 LEU 20 -11.726 -3.969 3.391 137 2HD1 LEU 20 2HD1 LEU 20 -10.079 -3.411 3.010 138 3HD1 LEU 20 3HD1 LEU 20 -11.488 -2.517 2.390 139 1HD2 LEU 20 1HD2 LEU 20 -9.171 -5.093 0.725 140 2HD2 LEU 20 2HD2 LEU 20 -10.041 -4.127 -0.490 141 3HD2 LEU 20 3HD2 LEU 20 -9.275 -3.325 0.902 142 H HIS 21 H HIS 21 -13.931 -5.168 3.089 143 HA HIS 21 HA HIS 21 -15.687 -3.847 1.156 144 1HB HIS 21 1HB HIS 21 -16.241 -4.131 4.107 145 2HB HIS 21 2HB HIS 21 -17.367 -3.770 2.812 146 HD1 HIS 21 1HD HIS 21 -17.998 -6.091 4.702 147 HD2 HIS 21 2HD HIS 21 -15.867 -6.550 1.118 148 HE1 HIS 21 1HE HIS 21 -18.254 -8.538 4.026 149 H GLU 22 H GLU 22 -16.525 -1.616 2.118 150 HA GLU 22 HA GLU 22 -14.215 -0.032 2.325 151 1HB GLU 22 1HB GLU 22 -17.147 0.380 2.113 152 2HB GLU 22 2HB GLU 22 -16.313 1.649 2.988 153 1HG GLU 22 1HG GLU 22 -14.642 1.747 1.037 154 2HG GLU 22 2HG GLU 22 -15.713 0.674 0.160 155 H SER 23 H SER 23 -16.485 -1.471 4.637 156 HA SER 23 HA SER 23 -15.697 0.242 6.759 157 1HB SER 23 1HB SER 23 -17.725 -1.739 6.271 158 2HB SER 23 2HB SER 23 -16.861 -2.220 7.717 159 HG SER 23 HG SER 23 -17.561 0.528 7.508 160 H GLU 24 H GLU 24 -13.982 -1.998 5.068 161 HA GLU 24 HA GLU 24 -12.499 -2.764 7.456 162 1HB GLU 24 1HB GLU 24 -13.916 -4.630 6.238 163 2HB GLU 24 2HB GLU 24 -12.634 -4.589 5.045 164 1HG GLU 24 1HG GLU 24 -11.443 -4.631 7.691 165 2HG GLU 24 2HG GLU 24 -12.631 -5.915 7.589 166 H SER 25 H SER 25 -10.149 -3.120 7.066 167 HA SER 25 HA SER 25 -9.273 -1.865 4.590 168 1HB SER 25 1HB SER 25 -7.489 -0.679 5.882 169 2HB SER 25 2HB SER 25 -9.103 -0.153 6.319 170 HG SER 25 HG SER 25 -8.245 -0.502 8.297 171 H CYS 26 H CYS 26 -6.760 -2.269 4.312 172 HA CYS 26 HA CYS 26 -5.930 -4.734 5.584 173 1HB CYS 26 1HB CYS 26 -5.214 -5.409 3.099 174 2HB CYS 26 2HB CYS 26 -6.700 -5.942 3.861 175 H LEU 27 H LEU 27 -3.546 -5.219 4.613 176 HA LEU 27 HA LEU 27 -2.015 -2.954 5.215 177 1HB LEU 27 1HB LEU 27 -1.532 -5.521 5.341 178 2HB LEU 27 2HB LEU 27 -0.941 -5.307 3.705 179 HG LEU 27 HG LEU 27 0.093 -3.409 5.755 180 1HD1 LEU 27 1HD1 LEU 27 0.191 -5.393 7.075 181 2HD1 LEU 27 2HD1 LEU 27 0.822 -6.346 5.711 182 3HD1 LEU 27 3HD1 LEU 27 1.829 -5.081 6.454 183 1HD2 LEU 27 1HD2 LEU 27 0.809 -3.238 3.433 184 2HD2 LEU 27 2HD2 LEU 27 2.172 -3.697 4.481 185 3HD2 LEU 27 3HD2 LEU 27 1.377 -4.924 3.465 186 H VAL 28 H VAL 28 -2.972 -1.314 3.794 187 HA VAL 28 HA VAL 28 -2.667 -1.633 0.971 188 HB VAL 28 HB VAL 28 -3.385 0.707 2.744 189 1HG1 VAL 28 1HG1 VAL 28 -3.845 0.623 -0.236 190 2HG1 VAL 28 2HG1 VAL 28 -3.857 2.019 0.869 191 3HG1 VAL 28 3HG1 VAL 28 -2.317 1.235 0.440 192 1HG2 VAL 28 1HG2 VAL 28 -4.847 -1.572 1.973 193 2HG2 VAL 28 2HG2 VAL 28 -5.472 -0.087 2.732 194 3HG2 VAL 28 3HG2 VAL 28 -5.458 -0.243 0.959 195 HA PRO 29 HA PRO 29 1.406 -0.195 0.718 196 1HB PRO 29 1HB PRO 29 1.535 0.414 -1.942 197 2HB PRO 29 2HB PRO 29 1.708 -1.216 -1.323 198 1HG PRO 29 1HG PRO 29 -0.603 0.008 -2.701 199 2HG PRO 29 2HG PRO 29 -0.241 -1.690 -2.461 200 1HD PRO 29 1HD PRO 29 -2.167 -0.124 -1.023 201 2HD PRO 29 2HD PRO 29 -1.724 -1.789 -0.706 202 H GLY 30 H GLY 30 2.695 1.719 -0.604 203 1HA GLY 30 1HA GLY 30 1.129 4.167 -0.274 204 2HA GLY 30 2HA GLY 30 2.523 3.956 0.767 205 H ASP 31 H ASP 31 1.929 5.887 -1.531 206 HA ASP 31 HA ASP 31 3.961 5.057 -3.411 207 1HB ASP 31 1HB ASP 31 2.384 7.655 -3.493 208 2HB ASP 31 2HB ASP 31 3.140 6.813 -4.831 209 H CYS 32 H CYS 32 6.044 5.585 -2.695 210 HA CYS 32 HA CYS 32 6.380 7.932 -1.045 211 1HB CYS 32 1HB CYS 32 8.133 5.614 -1.803 212 2HB CYS 32 2HB CYS 32 8.834 7.070 -1.126 213 H CYS 33 H CYS 33 6.820 9.896 -1.984 214 HA CYS 33 HA CYS 33 8.016 9.821 -4.658 215 1HB CYS 33 1HB CYS 33 7.014 12.116 -4.909 216 2HB CYS 33 2HB CYS 33 5.889 10.771 -4.889 217 H ARG 34 H ARG 34 9.831 11.211 -5.043 218 HA ARG 34 HA ARG 34 10.662 12.958 -2.961 219 1HB ARG 34 1HB ARG 34 11.515 10.485 -2.467 220 2HB ARG 34 2HB ARG 34 12.681 10.825 -3.730 221 1HG ARG 34 1HG ARG 34 12.468 13.052 -1.810 222 2HG ARG 34 2HG ARG 34 12.900 11.549 -1.018 223 1HD ARG 34 1HD ARG 34 15.016 11.653 -1.841 224 2HD ARG 34 2HD ARG 34 14.423 11.784 -3.484 225 HE ARG 34 HE ARG 34 14.546 14.156 -3.348 226 1HH1 ARG 34 1HH1 ARG 34 15.324 12.669 -0.227 227 2HH1 ARG 34 2HH1 ARG 34 15.981 14.125 0.443 228 1HH2 ARG 34 1HH2 ARG 34 16.024 16.115 -0.891 229 H GLY 35 H GLY 35 11.607 14.721 -3.964 230 1HA GLY 35 1HA GLY 35 12.670 15.968 -5.505 231 2HA GLY 35 2HA GLY 35 13.464 14.515 -6.080 232 H LYS 36 H LYS 36 12.471 13.217 -7.767 233 HA LYS 36 HA LYS 36 10.050 14.263 -8.956 234 1HB LYS 36 1HB LYS 36 10.963 14.791 -11.071 235 2HB LYS 36 2HB LYS 36 11.959 15.622 -9.894 236 1HG LYS 36 1HG LYS 36 13.759 14.073 -10.130 237 2HG LYS 36 2HG LYS 36 12.736 12.849 -10.856 238 1HD LYS 36 1HD LYS 36 13.144 13.650 -12.939 239 2HD LYS 36 2HD LYS 36 12.616 15.257 -12.477 240 1HE LYS 36 1HE LYS 36 14.757 16.017 -12.326 241 2HE LYS 36 2HE LYS 36 15.238 14.672 -11.310 242 1HZ LYS 36 1HZ LYS 36 15.041 13.444 -13.671 243 2HZ LYS 36 2HZ LYS 36 15.450 14.928 -14.201 244 H SER 37 H SER 37 10.906 11.835 -7.489 245 HA SER 37 HA SER 37 10.210 9.977 -9.601 246 1HB SER 37 1HB SER 37 12.611 9.826 -7.775 247 2HB SER 37 2HB SER 37 11.826 8.334 -8.255 248 HG SER 37 HG SER 37 13.506 9.962 -9.710 249 H ARG 38 H ARG 38 8.405 8.845 -8.977 250 HA ARG 38 HA ARG 38 8.049 8.512 -6.107 251 1HB ARG 38 1HB ARG 38 5.540 8.621 -6.603 252 2HB ARG 38 2HB ARG 38 6.399 10.134 -6.811 253 1HG ARG 38 1HG ARG 38 6.105 10.151 -9.099 254 2HG ARG 38 2HG ARG 38 6.310 8.417 -9.247 255 1HD ARG 38 1HD ARG 38 3.801 9.857 -8.263 256 2HD ARG 38 2HD ARG 38 3.986 9.034 -9.798 257 HE ARG 38 HE ARG 38 3.642 7.767 -7.152 258 1HH1 ARG 38 1HH1 ARG 38 4.460 7.300 -10.568 259 2HH1 ARG 38 2HH1 ARG 38 4.137 5.599 -10.541 260 1HH2 ARG 38 1HH2 ARG 38 3.407 4.574 -8.501 261 H LEU 39 H LEU 39 7.085 6.478 -5.431 262 HA LEU 39 HA LEU 39 6.410 4.562 -7.479 263 1HB LEU 39 1HB LEU 39 8.064 2.931 -6.256 264 2HB LEU 39 2HB LEU 39 8.560 3.910 -7.621 265 HG LEU 39 HG LEU 39 9.320 5.628 -5.801 266 1HD1 LEU 39 1HD1 LEU 39 10.221 3.947 -3.856 267 2HD1 LEU 39 2HD1 LEU 39 8.773 4.973 -3.726 268 3HD1 LEU 39 3HD1 LEU 39 8.613 3.263 -4.192 269 1HD2 LEU 39 1HD2 LEU 39 11.365 5.020 -6.432 270 2HD2 LEU 39 2HD2 LEU 39 11.223 3.433 -5.639 271 3HD2 LEU 39 3HD2 LEU 39 10.598 3.662 -7.290 272 H THR 40 H THR 40 5.234 2.737 -6.616 273 HA THR 40 HA THR 40 4.325 3.222 -3.854 274 HB THR 40 HB THR 40 2.819 3.507 -6.105 275 HG1 THR 40 1HG THR 40 1.094 2.626 -4.466 276 1HG2 THR 40 1HG2 THR 40 1.496 1.530 -6.523 277 2HG2 THR 40 2HG2 THR 40 3.189 0.991 -6.628 278 3HG2 THR 40 3HG2 THR 40 2.241 0.662 -5.158 279 H LEU 41 H LEU 41 4.722 1.690 -2.388 280 HA LEU 41 HA LEU 41 4.824 -1.064 -3.253 281 1HB LEU 41 1HB LEU 41 7.181 -0.268 -1.658 282 2HB LEU 41 2HB LEU 41 7.002 -1.516 -2.876 283 HG LEU 41 HG LEU 41 7.009 1.381 -3.684 284 1HD1 LEU 41 1HD1 LEU 41 9.347 -0.253 -2.770 285 2HD1 LEU 41 2HD1 LEU 41 9.552 0.891 -4.119 286 3HD1 LEU 41 3HD1 LEU 41 8.995 1.476 -2.533 287 1HD2 LEU 41 1HD2 LEU 41 8.397 -0.474 -5.412 288 2HD2 LEU 41 2HD2 LEU 41 6.750 -1.049 -5.058 289 3HD2 LEU 41 3HD2 LEU 41 6.997 0.572 -5.751 290 H CYS 42 H CYS 42 5.685 -2.294 -0.972 291 HA CYS 42 HA CYS 42 3.849 -1.182 1.024 292 1HB CYS 42 1HB CYS 42 4.606 -4.088 0.682 293 2HB CYS 42 2HB CYS 42 3.410 -3.426 1.778 294 H SER 43 H SER 43 4.926 -0.362 2.783 295 HA SER 43 HA SER 43 7.049 -1.857 3.921 296 1HB SER 43 1HB SER 43 8.738 -0.014 3.814 297 2HB SER 43 2HB SER 43 8.373 -0.693 2.240 298 HG SER 43 HG SER 43 6.930 1.114 1.849 299 H TYR 44 H TYR 44 6.120 -1.846 5.957 300 HA TYR 44 HA TYR 44 5.098 0.716 6.951 301 1HB TYR 44 1HB TYR 44 4.813 -2.264 7.653 302 2HB TYR 44 2HB TYR 44 4.206 -1.025 8.734 303 HD1 TYR 44 1HD TYR 44 4.044 -1.643 5.025 304 HD2 TYR 44 2HD TYR 44 1.912 -0.759 8.627 305 HE1 TYR 44 1HE TYR 44 1.860 -1.568 3.724 306 HE2 TYR 44 2HE TYR 44 -0.263 -0.687 7.314 307 HH TYR 44 HH TYR 44 -0.268 -1.246 3.801 308 H GLY 45 H GLY 45 5.291 0.658 9.582 309 1HA GLY 45 1HA GLY 45 8.189 0.469 10.071 310 2HA GLY 45 2HA GLY 45 7.055 1.512 10.906 311 H GLU 46 H GLU 46 5.545 0.590 12.477 312 HA GLU 46 HA GLU 46 5.818 -2.177 13.089 313 1HB GLU 46 1HB GLU 46 6.563 -1.739 15.473 314 2HB GLU 46 2HB GLU 46 7.797 -1.467 14.259 315 1HG GLU 46 1HG GLU 46 7.246 0.992 14.285 316 2HG GLU 46 2HG GLU 46 6.066 0.697 15.548 317 H GLY 47 H GLY 47 4.129 -2.920 14.528 318 1HA GLY 47 1HA GLY 47 2.050 -2.886 15.378 319 2HA GLY 47 2HA GLY 47 2.447 -1.309 16.032 320 H GLY 48 H GLY 48 2.108 -2.462 12.603 321 1HA GLY 48 1HA GLY 48 0.953 -1.588 10.877 322 2HA GLY 48 2HA GLY 48 -0.387 -1.537 12.005 323 H ASN 49 H ASN 49 2.448 0.316 10.776 324 HA ASN 49 HA ASN 49 1.087 2.720 11.709 325 1HB ASN 49 1HB ASN 49 3.599 2.021 12.390 326 2HB ASN 49 2HB ASN 49 3.987 2.714 10.828 327 1HD2 ASN 49 1HD2 ASN 49 5.001 3.808 13.082 328 2HD2 ASN 49 2HD2 ASN 49 4.301 5.358 13.409 329 H GLY 50 H GLY 50 -0.148 2.055 9.520 330 1HA GLY 50 1HA GLY 50 -0.429 2.237 7.271 331 2HA GLY 50 2HA GLY 50 0.117 3.873 7.588 332 H PHE 51 H PHE 51 1.956 4.590 6.577 333 HA PHE 51 HA PHE 51 3.628 2.515 5.347 334 1HB PHE 51 1HB PHE 51 2.167 4.625 4.234 335 2HB PHE 51 2HB PHE 51 3.728 5.387 4.462 336 HD1 PHE 51 1HD PHE 51 3.040 1.847 3.557 337 HD2 PHE 51 2HD PHE 51 4.519 5.612 2.276 338 HE1 PHE 51 1HE PHE 51 3.863 0.800 1.429 339 HE2 PHE 51 2HE PHE 51 5.342 4.565 0.148 340 HZ PHE 51 HZ PHE 51 5.004 2.172 -0.250 341 H GLN 52 H GLN 52 5.972 3.221 4.995 342 HA GLN 52 HA GLN 52 6.843 5.147 6.960 343 1HB GLN 52 1HB GLN 52 6.800 2.873 8.080 344 2HB GLN 52 2HB GLN 52 7.970 2.314 6.901 345 1HG GLN 52 1HG GLN 52 9.068 3.043 9.019 346 2HG GLN 52 2HG GLN 52 9.610 3.990 7.648 347 1HE2 GLN 52 1HE2 GLN 52 7.880 3.949 10.629 348 2HE2 GLN 52 2HE2 GLN 52 7.570 5.646 10.782 349 H CYS 53 H CYS 53 7.147 6.230 4.783 350 HA CYS 53 HA CYS 53 8.764 5.276 2.804 351 1HB CYS 53 1HB CYS 53 8.148 8.045 3.786 352 2HB CYS 53 2HB CYS 53 9.321 7.812 2.505 353 HA PRO 54 HA PRO 54 12.587 5.158 4.967 354 1HB PRO 54 1HB PRO 54 14.110 4.092 2.964 355 2HB PRO 54 2HB PRO 54 13.144 3.119 4.054 356 1HG PRO 54 1HG PRO 54 12.616 3.813 1.230 357 2HG PRO 54 2HG PRO 54 11.915 2.529 2.195 358 1HD PRO 54 1HD PRO 54 10.673 5.014 1.486 359 2HD PRO 54 2HD PRO 54 10.019 3.781 2.545 360 H THR 55 H THR 55 15.044 5.722 4.398 361 HA THR 55 HA THR 55 14.992 8.499 4.013 362 HB THR 55 HB THR 55 17.295 6.488 3.799 363 HG1 THR 55 1HG THR 55 16.132 8.086 5.972 364 1HG2 THR 55 1HG2 THR 55 17.117 9.493 4.264 365 2HG2 THR 55 2HG2 THR 55 18.459 8.547 4.951 366 3HG2 THR 55 3HG2 THR 55 18.222 8.606 3.187 367 H GLY 56 H GLY 56 15.056 9.802 2.277 368 1HA GLY 56 1HA GLY 56 15.729 10.375 0.123 369 2HA GLY 56 2HA GLY 56 15.948 8.684 -0.278 370 H TYR 57 H TYR 57 13.077 8.838 1.467 371 HA TYR 57 HA TYR 57 11.497 9.307 -0.970 372 1HB TYR 57 1HB TYR 57 11.505 7.141 1.201 373 2HB TYR 57 2HB TYR 57 10.033 7.455 0.303 374 HD1 TYR 57 1HD TYR 57 12.992 5.539 0.399 375 HD2 TYR 57 2HD TYR 57 10.304 7.426 -2.343 376 HE1 TYR 57 1HE TYR 57 13.787 3.993 -1.455 377 HE2 TYR 57 2HE TYR 57 11.108 5.874 -4.189 378 HH TYR 57 HH TYR 57 13.203 4.584 -4.669 379 H ARG 58 H ARG 58 9.364 10.169 -0.649 380 HA ARG 58 HA ARG 58 8.843 11.033 2.066 381 1HB ARG 58 1HB ARG 58 9.962 12.865 0.571 382 2HB ARG 58 2HB ARG 58 8.445 12.910 -0.305 383 1HG ARG 58 1HG ARG 58 8.161 13.042 2.660 384 2HG ARG 58 2HG ARG 58 8.999 14.408 1.950 385 1HD ARG 58 1HD ARG 58 7.061 14.602 0.275 386 2HD ARG 58 2HD ARG 58 6.212 13.395 1.220 387 HE ARG 58 HE ARG 58 5.721 15.044 2.793 388 1HH1 ARG 58 1HH1 ARG 58 8.565 16.083 0.952 389 2HH1 ARG 58 2HH1 ARG 58 8.650 17.633 1.721 390 1HH2 ARG 58 1HH2 ARG 58 7.034 18.202 3.397 391 H GLN 59 H GLN 59 6.972 9.828 2.418 392 HA GLN 59 HA GLN 59 5.265 8.791 0.728 393 1HB GLN 59 1HB GLN 59 5.012 8.500 3.124 394 2HB GLN 59 2HB GLN 59 4.616 10.191 3.352 395 1HG GLN 59 1HG GLN 59 2.426 9.882 2.772 396 2HG GLN 59 2HG GLN 59 2.837 8.887 1.389 397 1HE2 GLN 59 1HE2 GLN 59 2.824 8.844 4.944 398 2HE2 GLN 59 2HE2 GLN 59 2.336 7.195 5.147 399 H CYS 60 H CYS 60 3.905 9.429 -0.895 400 HA CYS 60 HA CYS 60 3.611 12.232 -1.361 401 1HB CYS 60 1HB CYS 60 3.496 9.843 -2.901 402 2HB CYS 60 2HB CYS 60 1.953 10.653 -3.082 Start of MODEL 8 1 1H ASP 1 1H ASP 1 -22.262 -8.784 -0.404 2 HA ASP 1 HA ASP 1 -24.130 -6.672 -1.049 3 1HB ASP 1 1HB ASP 1 -21.731 -6.035 0.683 4 2HB ASP 1 2HB ASP 1 -23.195 -5.100 0.461 5 H ARG 2 H ARG 2 -22.314 -4.587 -1.486 6 HA ARG 2 HA ARG 2 -20.843 -5.648 -3.688 7 1HB ARG 2 1HB ARG 2 -20.897 -2.749 -2.732 8 2HB ARG 2 2HB ARG 2 -20.538 -3.325 -4.346 9 1HG ARG 2 1HG ARG 2 -22.805 -3.906 -4.787 10 2HG ARG 2 2HG ARG 2 -23.227 -3.943 -3.086 11 1HD ARG 2 1HD ARG 2 -22.232 -1.321 -4.180 12 2HD ARG 2 2HD ARG 2 -23.827 -1.838 -4.692 13 HE ARG 2 HE ARG 2 -23.034 -1.024 -1.984 14 1HH1 ARG 2 1HH1 ARG 2 -25.450 -2.761 -3.908 15 2HH1 ARG 2 2HH1 ARG 2 -26.692 -2.611 -2.710 16 1HH2 ARG 2 1HH2 ARG 2 -26.213 -1.471 -0.657 17 H CYS 3 H CYS 3 -18.505 -4.796 -4.068 18 HA CYS 3 HA CYS 3 -17.077 -4.246 -1.617 19 1HB CYS 3 1HB CYS 3 -15.813 -6.120 -1.480 20 2HB CYS 3 2HB CYS 3 -17.302 -6.823 -2.078 21 H ARG 4 H ARG 4 -14.766 -3.597 -2.158 22 HA ARG 4 HA ARG 4 -14.652 -2.679 -4.919 23 1HB ARG 4 1HB ARG 4 -13.612 -1.324 -2.381 24 2HB ARG 4 2HB ARG 4 -13.251 -0.753 -3.999 25 1HG ARG 4 1HG ARG 4 -15.227 0.351 -4.082 26 2HG ARG 4 2HG ARG 4 -16.099 -1.151 -3.846 27 1HD ARG 4 1HD ARG 4 -15.472 -0.842 -1.298 28 2HD ARG 4 2HD ARG 4 -15.151 0.823 -1.742 29 HE ARG 4 HE ARG 4 -17.463 1.164 -2.161 30 1HH1 ARG 4 1HH1 ARG 4 -16.814 -2.250 -1.465 31 2HH1 ARG 4 2HH1 ARG 4 -18.485 -2.652 -1.253 32 1HH2 ARG 4 1HH2 ARG 4 -20.145 -0.943 -1.502 33 H TYR 5 H TYR 5 -13.452 -4.613 -5.541 34 HA TYR 5 HA TYR 5 -11.431 -5.871 -4.381 35 1HB TYR 5 1HB TYR 5 -10.464 -5.803 -6.875 36 2HB TYR 5 2HB TYR 5 -12.048 -6.506 -6.611 37 HD1 TYR 5 1HD TYR 5 -10.218 -3.613 -7.958 38 HD2 TYR 5 2HD TYR 5 -14.076 -5.362 -7.353 39 HE1 TYR 5 1HE TYR 5 -11.232 -1.966 -9.609 40 HE2 TYR 5 2HE TYR 5 -15.077 -3.709 -9.006 41 HH TYR 5 HH TYR 5 -14.687 -1.723 -10.020 42 H THR 6 H THR 6 -9.860 -4.998 -3.089 43 HA THR 6 HA THR 6 -8.307 -2.776 -4.243 44 HB THR 6 HB THR 6 -7.753 -2.761 -1.552 45 HG1 THR 6 1HG THR 6 -10.550 -3.534 -1.958 46 1HG2 THR 6 1HG2 THR 6 -9.710 -1.142 -1.304 47 2HG2 THR 6 2HG2 THR 6 -8.633 -0.763 -2.669 48 3HG2 THR 6 3HG2 THR 6 -10.193 -1.567 -2.963 49 H LEU 7 H LEU 7 -6.004 -2.779 -3.980 50 HA LEU 7 HA LEU 7 -4.987 -5.498 -4.074 51 1HB LEU 7 1HB LEU 7 -3.868 -2.812 -4.855 52 2HB LEU 7 2HB LEU 7 -2.888 -4.265 -4.818 53 HG LEU 7 HG LEU 7 -5.372 -4.606 -6.341 54 1HD1 LEU 7 1HD1 LEU 7 -4.571 -3.266 -8.293 55 2HD1 LEU 7 2HD1 LEU 7 -5.126 -2.295 -6.909 56 3HD1 LEU 7 3HD1 LEU 7 -3.384 -2.496 -7.213 57 1HD2 LEU 7 1HD2 LEU 7 -3.877 -5.627 -7.954 58 2HD2 LEU 7 2HD2 LEU 7 -2.460 -4.995 -7.081 59 3HD2 LEU 7 3HD2 LEU 7 -3.505 -6.214 -6.315 60 H CYS 8 H CYS 8 -4.515 -6.397 -2.133 61 HA CYS 8 HA CYS 8 -3.337 -4.624 -0.129 62 1HB CYS 8 1HB CYS 8 -4.422 -7.373 0.429 63 2HB CYS 8 2HB CYS 8 -4.135 -6.056 1.549 64 H CYS 9 H CYS 9 -1.442 -5.471 1.072 65 HA CYS 9 HA CYS 9 0.245 -7.003 -0.690 66 1HB CYS 9 1HB CYS 9 0.708 -5.424 1.828 67 2HB CYS 9 2HB CYS 9 1.933 -6.516 1.211 68 H ASP 10 H ASP 10 1.484 -8.910 0.172 69 HA ASP 10 HA ASP 10 -0.276 -10.466 1.848 70 1HB ASP 10 1HB ASP 10 1.285 -11.024 -0.429 71 2HB ASP 10 2HB ASP 10 2.180 -11.781 0.874 72 H GLY 11 H GLY 11 1.407 -8.267 2.967 73 1HA GLY 11 1HA GLY 11 2.435 -8.091 5.012 74 2HA GLY 11 2HA GLY 11 2.795 -9.806 5.005 75 H ALA 12 H ALA 12 3.782 -9.349 2.032 76 HA ALA 12 HA ALA 12 6.378 -8.196 2.791 77 1HB ALA 12 1HB ALA 12 5.980 -10.449 0.800 78 2HB ALA 12 2HB ALA 12 7.487 -9.913 1.582 79 3HB ALA 12 3HB ALA 12 6.240 -10.754 2.535 80 H LEU 13 H LEU 13 6.872 -9.021 -0.270 81 HA LEU 13 HA LEU 13 6.001 -6.419 -1.230 82 1HB LEU 13 1HB LEU 13 7.679 -6.557 -2.800 83 2HB LEU 13 2HB LEU 13 8.379 -7.324 -1.389 84 HG LEU 13 HG LEU 13 8.979 -8.549 -3.379 85 1HD1 LEU 13 1HD1 LEU 13 6.915 -10.245 -1.975 86 2HD1 LEU 13 2HD1 LEU 13 8.480 -10.733 -2.667 87 3HD1 LEU 13 3HD1 LEU 13 8.431 -9.740 -1.192 88 1HD2 LEU 13 1HD2 LEU 13 6.512 -7.838 -4.358 89 2HD2 LEU 13 2HD2 LEU 13 7.631 -9.005 -5.103 90 3HD2 LEU 13 3HD2 LEU 13 6.317 -9.580 -4.048 91 H LYS 14 H LYS 14 5.142 -9.792 -1.346 92 HA LYS 14 HA LYS 14 3.955 -9.813 -3.898 93 1HB LYS 14 1HB LYS 14 3.655 -11.527 -1.427 94 2HB LYS 14 2HB LYS 14 2.714 -11.818 -2.875 95 1HG LYS 14 1HG LYS 14 4.589 -12.424 -4.150 96 2HG LYS 14 2HG LYS 14 5.694 -11.467 -3.184 97 1HD LYS 14 1HD LYS 14 4.285 -13.920 -2.053 98 2HD LYS 14 2HD LYS 14 5.807 -14.044 -2.911 99 1HE LYS 14 1HE LYS 14 6.757 -12.305 -1.275 100 2HE LYS 14 2HE LYS 14 5.273 -12.463 -0.355 101 1HZ LYS 14 1HZ LYS 14 6.481 -14.107 0.641 102 2HZ LYS 14 2HZ LYS 14 5.949 -15.027 -0.594 103 H ALA 15 H ALA 15 2.322 -8.535 -4.564 104 HA ALA 15 HA ALA 15 0.238 -7.929 -2.577 105 1HB ALA 15 1HB ALA 15 1.266 -5.861 -2.939 106 2HB ALA 15 2HB ALA 15 1.628 -6.222 -4.643 107 3HB ALA 15 3HB ALA 15 -0.039 -5.843 -4.149 108 H VAL 16 H VAL 16 -1.898 -8.248 -3.211 109 HA VAL 16 HA VAL 16 -2.381 -8.913 -6.002 110 HB VAL 16 HB VAL 16 -1.778 -11.015 -4.834 111 1HG1 VAL 16 1HG1 VAL 16 -3.142 -10.015 -2.690 112 2HG1 VAL 16 2HG1 VAL 16 -4.338 -11.149 -3.362 113 3HG1 VAL 16 3HG1 VAL 16 -2.718 -11.730 -2.909 114 1HG2 VAL 16 1HG2 VAL 16 -4.714 -10.996 -5.577 115 2HG2 VAL 16 2HG2 VAL 16 -3.406 -10.856 -6.775 116 3HG2 VAL 16 3HG2 VAL 16 -3.536 -12.317 -5.767 117 H SER 17 H SER 17 -4.844 -9.146 -6.361 118 HA SER 17 HA SER 17 -6.045 -6.995 -4.859 119 1HB SER 17 1HB SER 17 -7.904 -7.602 -6.752 120 2HB SER 17 2HB SER 17 -6.564 -6.509 -7.033 121 HG SER 17 HG SER 17 -6.390 -9.353 -7.532 122 H ALA 18 H ALA 18 -7.857 -7.253 -3.517 123 HA ALA 18 HA ALA 18 -9.024 -9.941 -3.415 124 1HB ALA 18 1HB ALA 18 -7.985 -8.261 -1.102 125 2HB ALA 18 2HB ALA 18 -9.047 -9.676 -0.901 126 3HB ALA 18 3HB ALA 18 -7.425 -9.872 -1.607 127 H CYS 19 H CYS 19 -11.251 -9.988 -2.777 128 HA CYS 19 HA CYS 19 -12.558 -7.467 -3.312 129 1HB CYS 19 1HB CYS 19 -13.421 -9.298 -4.534 130 2HB CYS 19 2HB CYS 19 -13.518 -10.317 -3.112 131 H LEU 20 H LEU 20 -11.876 -6.419 -1.269 132 HA LEU 20 HA LEU 20 -13.104 -7.588 1.115 133 1HB LEU 20 1HB LEU 20 -11.144 -7.106 1.999 134 2HB LEU 20 2HB LEU 20 -10.637 -6.223 0.572 135 HG LEU 20 HG LEU 20 -12.422 -4.942 2.637 136 1HD1 LEU 20 1HD1 LEU 20 -9.512 -5.542 2.831 137 2HD1 LEU 20 2HD1 LEU 20 -10.060 -3.929 3.348 138 3HD1 LEU 20 3HD1 LEU 20 -10.746 -5.387 4.104 139 1HD2 LEU 20 1HD2 LEU 20 -12.315 -3.726 0.590 140 2HD2 LEU 20 2HD2 LEU 20 -11.290 -2.874 1.770 141 3HD2 LEU 20 3HD2 LEU 20 -10.543 -3.887 0.512 142 H HIS 21 H HIS 21 -14.291 -6.119 2.593 143 HA HIS 21 HA HIS 21 -15.791 -4.192 0.992 144 1HB HIS 21 1HB HIS 21 -16.558 -5.418 3.653 145 2HB HIS 21 2HB HIS 21 -17.580 -4.475 2.586 146 HD1 HIS 21 1HD HIS 21 -17.172 -5.820 -0.119 147 HD2 HIS 21 2HD HIS 21 -17.540 -7.958 3.472 148 HE1 HIS 21 1HE HIS 21 -17.945 -8.166 -0.759 149 H GLU 22 H GLU 22 -16.778 -2.375 2.620 150 HA GLU 22 HA GLU 22 -14.518 -0.882 3.343 151 1HB GLU 22 1HB GLU 22 -17.151 -0.318 2.709 152 2HB GLU 22 2HB GLU 22 -17.140 -0.007 4.433 153 1HG GLU 22 1HG GLU 22 -14.727 1.116 3.289 154 2HG GLU 22 2HG GLU 22 -16.094 1.649 2.330 155 H SER 23 H SER 23 -16.701 -3.074 5.057 156 HA SER 23 HA SER 23 -15.983 -2.092 7.624 157 1HB SER 23 1HB SER 23 -17.917 -3.911 6.509 158 2HB SER 23 2HB SER 23 -17.024 -4.780 7.742 159 HG SER 23 HG SER 23 -17.702 -3.364 9.313 160 H GLU 24 H GLU 24 -14.164 -3.574 5.327 161 HA GLU 24 HA GLU 24 -12.684 -5.073 7.344 162 1HB GLU 24 1HB GLU 24 -13.916 -6.427 5.472 163 2HB GLU 24 2HB GLU 24 -12.668 -5.821 4.403 164 1HG GLU 24 1HG GLU 24 -11.956 -7.991 5.261 165 2HG GLU 24 2HG GLU 24 -10.915 -6.759 5.946 166 H SER 25 H SER 25 -10.307 -5.118 7.006 167 HA SER 25 HA SER 25 -9.350 -3.178 5.098 168 1HB SER 25 1HB SER 25 -7.921 -2.094 6.891 169 2HB SER 25 2HB SER 25 -9.636 -1.755 7.016 170 HG SER 25 HG SER 25 -9.800 -2.943 8.841 171 H CYS 26 H CYS 26 -7.317 -3.754 4.274 172 HA CYS 26 HA CYS 26 -6.034 -6.017 5.624 173 1HB CYS 26 1HB CYS 26 -5.191 -6.478 3.185 174 2HB CYS 26 2HB CYS 26 -6.734 -7.084 3.751 175 H LEU 27 H LEU 27 -3.590 -6.129 4.653 176 HA LEU 27 HA LEU 27 -2.395 -3.686 5.451 177 1HB LEU 27 1HB LEU 27 -1.544 -6.043 5.801 178 2HB LEU 27 2HB LEU 27 -1.077 -6.046 4.112 179 HG LEU 27 HG LEU 27 0.660 -5.456 5.972 180 1HD1 LEU 27 1HD1 LEU 27 1.716 -3.755 4.324 181 2HD1 LEU 27 2HD1 LEU 27 1.431 -5.428 3.784 182 3HD1 LEU 27 3HD1 LEU 27 0.313 -4.132 3.295 183 1HD2 LEU 27 1HD2 LEU 27 -0.690 -3.719 7.057 184 2HD2 LEU 27 2HD2 LEU 27 0.861 -3.078 6.465 185 3HD2 LEU 27 3HD2 LEU 27 -0.640 -2.749 5.566 186 H VAL 28 H VAL 28 -3.122 -2.027 4.065 187 HA VAL 28 HA VAL 28 -2.890 -2.322 1.237 188 HB VAL 28 HB VAL 28 -4.619 -0.954 2.092 189 1HG1 VAL 28 1HG1 VAL 28 -4.262 -0.121 4.157 190 2HG1 VAL 28 2HG1 VAL 28 -2.509 0.050 3.896 191 3HG1 VAL 28 3HG1 VAL 28 -3.626 1.296 3.287 192 1HG2 VAL 28 1HG2 VAL 28 -3.870 1.391 1.198 193 2HG2 VAL 28 2HG2 VAL 28 -2.388 0.529 0.725 194 3HG2 VAL 28 3HG2 VAL 28 -3.963 0.005 0.083 195 HA PRO 29 HA PRO 29 1.254 -1.130 0.889 196 1HB PRO 29 1HB PRO 29 1.351 -0.509 -1.771 197 2HB PRO 29 2HB PRO 29 1.442 -2.151 -1.167 198 1HG PRO 29 1HG PRO 29 -0.827 -0.781 -2.476 199 2HG PRO 29 2HG PRO 29 -0.562 -2.499 -2.255 200 1HD PRO 29 1HD PRO 29 -2.352 -0.833 -0.757 201 2HD PRO 29 2HD PRO 29 -2.001 -2.525 -0.462 202 H GLY 30 H GLY 30 2.589 0.723 -0.524 203 1HA GLY 30 1HA GLY 30 1.189 3.251 -0.080 204 2HA GLY 30 2HA GLY 30 2.628 2.951 0.872 205 H ASP 31 H ASP 31 2.104 4.989 -1.283 206 HA ASP 31 HA ASP 31 4.014 4.056 -3.264 207 1HB ASP 31 1HB ASP 31 2.261 6.555 -3.317 208 2HB ASP 31 2HB ASP 31 3.204 5.925 -4.653 209 H CYS 32 H CYS 32 6.118 4.679 -2.735 210 HA CYS 32 HA CYS 32 6.487 7.011 -1.072 211 1HB CYS 32 1HB CYS 32 8.294 4.803 -2.030 212 2HB CYS 32 2HB CYS 32 8.948 6.258 -1.305 213 H CYS 33 H CYS 33 6.938 9.010 -1.938 214 HA CYS 33 HA CYS 33 7.660 9.063 -4.767 215 1HB CYS 33 1HB CYS 33 6.127 10.896 -2.983 216 2HB CYS 33 2HB CYS 33 7.043 11.608 -4.297 217 H ARG 34 H ARG 34 9.633 9.983 -5.395 218 HA ARG 34 HA ARG 34 11.162 11.215 -3.251 219 1HB ARG 34 1HB ARG 34 11.980 8.884 -3.646 220 2HB ARG 34 2HB ARG 34 12.217 9.246 -5.344 221 1HG ARG 34 1HG ARG 34 13.606 11.313 -4.036 222 2HG ARG 34 2HG ARG 34 13.927 9.909 -3.036 223 1HD ARG 34 1HD ARG 34 15.658 9.903 -4.697 224 2HD ARG 34 2HD ARG 34 14.542 8.649 -5.198 225 HE ARG 34 HE ARG 34 13.714 11.098 -6.411 226 1HH1 ARG 34 1HH1 ARG 34 16.386 8.779 -6.597 227 2HH1 ARG 34 2HH1 ARG 34 16.736 9.127 -8.257 228 1HH2 ARG 34 1HH2 ARG 34 15.424 10.765 -9.416 229 H GLY 35 H GLY 35 11.190 13.362 -3.920 230 1HA GLY 35 1HA GLY 35 11.725 15.157 -5.165 231 2HA GLY 35 2HA GLY 35 12.674 14.111 -6.202 232 H LYS 36 H LYS 36 11.646 13.022 -8.032 233 HA LYS 36 HA LYS 36 8.978 14.042 -8.667 234 1HB LYS 36 1HB LYS 36 11.123 13.982 -10.777 235 2HB LYS 36 2HB LYS 36 9.591 14.832 -10.779 236 1HG LYS 36 1HG LYS 36 10.632 16.056 -8.635 237 2HG LYS 36 2HG LYS 36 12.152 15.538 -9.337 238 1HD LYS 36 1HD LYS 36 10.726 16.576 -11.533 239 2HD LYS 36 2HD LYS 36 10.316 17.665 -10.223 240 1HE LYS 36 1HE LYS 36 12.698 18.076 -9.747 241 2HE LYS 36 2HE LYS 36 13.182 16.862 -10.914 242 1HZ LYS 36 1HZ LYS 36 12.576 18.228 -12.677 243 2HZ LYS 36 2HZ LYS 36 11.493 19.095 -11.824 244 H SER 37 H SER 37 10.305 11.447 -7.667 245 HA SER 37 HA SER 37 9.357 9.807 -9.886 246 1HB SER 37 1HB SER 37 11.672 9.460 -7.983 247 2HB SER 37 2HB SER 37 10.872 8.024 -8.591 248 HG SER 37 HG SER 37 11.817 10.128 -10.334 249 H ARG 38 H ARG 38 8.312 7.706 -9.193 250 HA ARG 38 HA ARG 38 7.338 7.828 -6.470 251 1HB ARG 38 1HB ARG 38 5.588 8.876 -7.899 252 2HB ARG 38 2HB ARG 38 5.582 7.475 -8.952 253 1HG ARG 38 1HG ARG 38 5.211 6.539 -6.248 254 2HG ARG 38 2HG ARG 38 4.110 7.879 -6.502 255 1HD ARG 38 1HD ARG 38 3.114 5.660 -7.153 256 2HD ARG 38 2HD ARG 38 3.141 6.806 -8.478 257 HE ARG 38 HE ARG 38 5.498 5.537 -8.902 258 1HH1 ARG 38 1HH1 ARG 38 2.310 4.198 -8.131 259 2HH1 ARG 38 2HH1 ARG 38 2.597 2.708 -8.965 260 1HH2 ARG 38 1HH2 ARG 38 4.700 2.360 -10.059 261 H LEU 39 H LEU 39 6.796 5.727 -5.582 262 HA LEU 39 HA LEU 39 7.019 3.439 -7.337 263 1HB LEU 39 1HB LEU 39 9.219 3.287 -6.975 264 2HB LEU 39 2HB LEU 39 9.180 4.328 -5.565 265 HG LEU 39 HG LEU 39 8.071 1.561 -5.304 266 1HD1 LEU 39 1HD1 LEU 39 10.882 1.577 -4.642 267 2HD1 LEU 39 2HD1 LEU 39 9.963 0.466 -5.686 268 3HD1 LEU 39 3HD1 LEU 39 10.640 1.968 -6.362 269 1HD2 LEU 39 1HD2 LEU 39 8.154 3.485 -3.526 270 2HD2 LEU 39 2HD2 LEU 39 8.506 1.804 -3.059 271 3HD2 LEU 39 3HD2 LEU 39 9.841 2.952 -3.325 272 H THR 40 H THR 40 6.069 1.538 -6.425 273 HA THR 40 HA THR 40 4.598 2.080 -3.928 274 HB THR 40 HB THR 40 3.712 0.409 -6.338 275 HG1 THR 40 1HG THR 40 2.817 2.358 -7.009 276 1HG2 THR 40 1HG2 THR 40 2.411 1.360 -3.754 277 2HG2 THR 40 2HG2 THR 40 1.427 1.072 -5.209 278 3HG2 THR 40 3HG2 THR 40 2.359 -0.261 -4.487 279 H LEU 41 H LEU 41 5.033 0.790 -2.256 280 HA LEU 41 HA LEU 41 5.758 -1.958 -2.775 281 1HB LEU 41 1HB LEU 41 7.648 -0.102 -1.321 282 2HB LEU 41 2HB LEU 41 7.814 -1.841 -1.456 283 HG LEU 41 HG LEU 41 7.854 0.077 -3.802 284 1HD1 LEU 41 1HD1 LEU 41 10.169 -1.293 -2.405 285 2HD1 LEU 41 2HD1 LEU 41 10.266 -0.295 -3.875 286 3HD1 LEU 41 3HD1 LEU 41 9.775 0.442 -2.330 287 1HD2 LEU 41 1HD2 LEU 41 7.864 -1.675 -5.175 288 2HD2 LEU 41 2HD2 LEU 41 9.065 -2.544 -4.189 289 3HD2 LEU 41 3HD2 LEU 41 7.335 -2.649 -3.782 290 H CYS 42 H CYS 42 6.274 -2.958 -0.389 291 HA CYS 42 HA CYS 42 4.067 -1.954 1.251 292 1HB CYS 42 1HB CYS 42 5.202 -4.726 1.472 293 2HB CYS 42 2HB CYS 42 3.639 -4.127 1.991 294 H SER 43 H SER 43 4.721 -0.927 3.109 295 HA SER 43 HA SER 43 6.960 -2.006 4.533 296 1HB SER 43 1HB SER 43 7.629 -0.079 2.764 297 2HB SER 43 2HB SER 43 7.099 0.963 4.070 298 HG SER 43 HG SER 43 9.020 0.631 4.937 299 H TYR 44 H TYR 44 6.822 -1.543 6.784 300 HA TYR 44 HA TYR 44 4.397 -0.059 7.537 301 1HB TYR 44 1HB TYR 44 6.089 -2.142 9.048 302 2HB TYR 44 2HB TYR 44 4.500 -1.578 9.526 303 HD1 TYR 44 1HD TYR 44 6.257 -3.390 6.762 304 HD2 TYR 44 2HD TYR 44 2.585 -2.757 8.865 305 HE1 TYR 44 1HE TYR 44 5.183 -5.302 5.475 306 HE2 TYR 44 2HE TYR 44 1.523 -4.671 7.570 307 HH TYR 44 HH TYR 44 2.204 -6.650 6.406 308 H GLY 45 H GLY 45 4.604 0.789 9.938 309 1HA GLY 45 1HA GLY 45 7.085 1.478 11.011 310 2HA GLY 45 2HA GLY 45 6.606 2.777 9.937 311 H GLU 46 H GLU 46 6.420 4.189 11.831 312 HA GLU 46 HA GLU 46 5.330 5.224 13.397 313 1HB GLU 46 1HB GLU 46 2.859 3.731 12.413 314 2HB GLU 46 2HB GLU 46 2.858 5.200 13.369 315 1HG GLU 46 1HG GLU 46 4.283 5.074 10.683 316 2HG GLU 46 2HG GLU 46 2.568 5.416 10.782 317 H GLY 47 H GLY 47 4.443 5.031 15.603 318 1HA GLY 47 1HA GLY 47 5.153 2.506 16.795 319 2HA GLY 47 2HA GLY 47 4.646 3.974 17.607 320 H GLY 48 H GLY 48 3.049 1.944 15.047 321 1HA GLY 48 1HA GLY 48 1.119 0.847 16.824 322 2HA GLY 48 2HA GLY 48 0.463 2.238 15.983 323 H ASN 49 H ASN 49 -0.117 2.092 13.803 324 HA ASN 49 HA ASN 49 0.814 -0.192 12.331 325 1HB ASN 49 1HB ASN 49 -1.201 -1.131 13.362 326 2HB ASN 49 2HB ASN 49 -2.131 0.306 12.988 327 1HD2 ASN 49 1HD2 ASN 49 -0.245 -2.304 11.507 328 2HD2 ASN 49 2HD2 ASN 49 -1.170 -2.456 10.051 329 H GLY 50 H GLY 50 1.603 0.985 10.561 330 1HA GLY 50 1HA GLY 50 -0.182 2.326 8.822 331 2HA GLY 50 2HA GLY 50 0.731 3.497 9.753 332 H PHE 51 H PHE 51 0.833 2.803 6.816 333 HA PHE 51 HA PHE 51 3.216 1.370 6.346 334 1HB PHE 51 1HB PHE 51 1.374 1.715 4.686 335 2HB PHE 51 2HB PHE 51 1.578 3.453 4.783 336 HD1 PHE 51 1HD PHE 51 3.003 0.338 3.479 337 HD2 PHE 51 2HD PHE 51 3.377 4.563 3.612 338 HE1 PHE 51 1HE PHE 51 4.623 0.255 1.564 339 HE2 PHE 51 2HE PHE 51 4.997 4.481 1.697 340 HZ PHE 51 HZ PHE 51 5.602 2.328 0.696 341 H GLN 52 H GLN 52 5.293 2.162 5.639 342 HA GLN 52 HA GLN 52 5.737 4.952 6.362 343 1HB GLN 52 1HB GLN 52 6.596 3.029 7.984 344 2HB GLN 52 2HB GLN 52 7.882 2.870 6.805 345 1HG GLN 52 1HG GLN 52 8.924 4.703 7.637 346 2HG GLN 52 2HG GLN 52 7.506 5.686 7.326 347 1HE2 GLN 52 1HE2 GLN 52 5.917 5.940 8.912 348 2HE2 GLN 52 2HE2 GLN 52 6.226 5.661 10.593 349 H CYS 53 H CYS 53 8.310 5.365 5.566 350 HA CYS 53 HA CYS 53 8.457 4.298 2.851 351 1HB CYS 53 1HB CYS 53 8.117 7.116 3.667 352 2HB CYS 53 2HB CYS 53 9.392 6.831 2.498 353 HA PRO 54 HA PRO 54 12.643 3.884 3.983 354 1HB PRO 54 1HB PRO 54 13.879 3.788 1.546 355 2HB PRO 54 2HB PRO 54 13.053 2.415 2.257 356 1HG PRO 54 1HG PRO 54 12.169 4.171 0.049 357 2HG PRO 54 2HG PRO 54 11.585 2.577 0.486 358 1HD PRO 54 1HD PRO 54 10.289 5.082 1.009 359 2HD PRO 54 2HD PRO 54 9.765 3.498 1.546 360 H THR 55 H THR 55 14.951 4.755 3.706 361 HA THR 55 HA THR 55 14.766 7.523 4.223 362 HB THR 55 HB THR 55 16.488 5.659 4.977 363 HG1 THR 55 1HG THR 55 17.407 8.252 3.965 364 1HG2 THR 55 1HG2 THR 55 17.890 6.837 2.523 365 2HG2 THR 55 2HG2 THR 55 18.567 5.671 3.686 366 3HG2 THR 55 3HG2 THR 55 17.260 5.173 2.586 367 H GLY 56 H GLY 56 14.868 9.289 2.964 368 1HA GLY 56 1HA GLY 56 15.549 10.528 1.137 369 2HA GLY 56 2HA GLY 56 16.011 9.065 0.290 370 H TYR 57 H TYR 57 13.060 8.287 1.614 371 HA TYR 57 HA TYR 57 11.641 9.237 -0.784 372 1HB TYR 57 1HB TYR 57 11.584 6.723 0.979 373 2HB TYR 57 2HB TYR 57 10.231 7.092 -0.074 374 HD1 TYR 57 1HD TYR 57 13.762 6.056 0.047 375 HD2 TYR 57 2HD TYR 57 10.419 6.870 -2.496 376 HE1 TYR 57 1HE TYR 57 14.945 4.909 -1.889 377 HE2 TYR 57 2HE TYR 57 11.613 5.721 -4.423 378 HH TYR 57 HH TYR 57 14.496 3.887 -3.919 379 H ARG 58 H ARG 58 9.260 9.552 -0.501 380 HA ARG 58 HA ARG 58 8.437 9.932 2.217 381 1HB ARG 58 1HB ARG 58 8.991 12.186 0.302 382 2HB ARG 58 2HB ARG 58 7.536 12.326 1.268 383 1HG ARG 58 1HG ARG 58 8.720 12.811 3.149 384 2HG ARG 58 2HG ARG 58 9.776 11.430 2.927 385 1HD ARG 58 1HD ARG 58 10.210 13.744 1.061 386 2HD ARG 58 2HD ARG 58 10.643 14.010 2.738 387 HE ARG 58 HE ARG 58 11.749 11.513 2.093 388 1HH1 ARG 58 1HH1 ARG 58 12.079 14.828 0.884 389 2HH1 ARG 58 2HH1 ARG 58 13.715 14.606 0.363 390 1HH2 ARG 58 1HH2 ARG 58 14.771 12.478 0.679 391 H GLN 59 H GLN 59 6.306 9.265 2.374 392 HA GLN 59 HA GLN 59 4.940 8.075 0.473 393 1HB GLN 59 1HB GLN 59 4.283 8.287 2.893 394 2HB GLN 59 2HB GLN 59 3.654 9.888 2.561 395 1HG GLN 59 1HG GLN 59 2.195 8.754 0.726 396 2HG GLN 59 2HG GLN 59 2.648 7.231 1.466 397 1HE2 GLN 59 1HE2 GLN 59 1.449 10.470 2.322 398 2HE2 GLN 59 2HE2 GLN 59 0.329 9.975 3.547 399 H CYS 60 H CYS 60 3.438 8.548 -1.199 400 HA CYS 60 HA CYS 60 3.797 11.138 -2.349 401 1HB CYS 60 1HB CYS 60 2.044 8.855 -3.278 402 2HB CYS 60 2HB CYS 60 2.495 10.270 -4.209 Start of MODEL 9 1 1H ASP 1 1H ASP 1 -19.763 1.624 -2.101 2 HA ASP 1 HA ASP 1 -21.746 0.326 -1.867 3 1HB ASP 1 1HB ASP 1 -20.332 0.743 -4.406 4 2HB ASP 1 2HB ASP 1 -21.409 -0.635 -4.514 5 H ARG 2 H ARG 2 -19.176 -1.502 -3.715 6 HA ARG 2 HA ARG 2 -20.061 -3.877 -2.295 7 1HB ARG 2 1HB ARG 2 -19.083 -4.050 -5.163 8 2HB ARG 2 2HB ARG 2 -20.072 -5.195 -4.279 9 1HG ARG 2 1HG ARG 2 -21.609 -2.839 -4.239 10 2HG ARG 2 2HG ARG 2 -20.894 -2.831 -5.839 11 1HD ARG 2 1HD ARG 2 -21.802 -5.029 -6.354 12 2HD ARG 2 2HD ARG 2 -22.277 -5.296 -4.688 13 HE ARG 2 HE ARG 2 -24.138 -3.852 -4.979 14 1HH1 ARG 2 1HH1 ARG 2 -22.069 -3.811 -7.854 15 2HH1 ARG 2 2HH1 ARG 2 -23.243 -3.005 -8.841 16 1HH2 ARG 2 1HH2 ARG 2 -25.364 -2.414 -7.894 17 H CYS 3 H CYS 3 -18.325 -5.635 -2.263 18 HA CYS 3 HA CYS 3 -15.994 -4.787 -1.258 19 1HB CYS 3 1HB CYS 3 -16.245 -7.006 -0.930 20 2HB CYS 3 2HB CYS 3 -16.908 -7.294 -2.526 21 H ARG 4 H ARG 4 -14.137 -3.817 -2.048 22 HA ARG 4 HA ARG 4 -13.974 -3.646 -4.946 23 1HB ARG 4 1HB ARG 4 -13.795 -1.659 -2.874 24 2HB ARG 4 2HB ARG 4 -12.201 -1.781 -3.593 25 1HG ARG 4 1HG ARG 4 -13.089 -0.305 -5.121 26 2HG ARG 4 2HG ARG 4 -13.672 -1.775 -5.876 27 1HD ARG 4 1HD ARG 4 -15.686 -0.624 -5.741 28 2HD ARG 4 2HD ARG 4 -15.735 -1.426 -4.184 29 HE ARG 4 HE ARG 4 -15.578 0.667 -3.176 30 1HH1 ARG 4 1HH1 ARG 4 -14.162 0.901 -6.416 31 2HH1 ARG 4 2HH1 ARG 4 -13.861 2.603 -6.296 32 1HH2 ARG 4 1HH2 ARG 4 -14.469 3.765 -4.290 33 H TYR 5 H TYR 5 -12.774 -5.608 -5.288 34 HA TYR 5 HA TYR 5 -10.807 -6.734 -3.920 35 1HB TYR 5 1HB TYR 5 -11.174 -6.045 -6.880 36 2HB TYR 5 2HB TYR 5 -9.783 -6.994 -6.398 37 HD1 TYR 5 1HD TYR 5 -13.396 -6.999 -6.914 38 HD2 TYR 5 2HD TYR 5 -10.083 -9.270 -5.443 39 HE1 TYR 5 1HE TYR 5 -14.804 -9.115 -6.990 40 HE2 TYR 5 2HE TYR 5 -11.501 -11.378 -5.523 41 HH TYR 5 HH TYR 5 -13.500 -12.190 -5.805 42 H THR 6 H THR 6 -9.412 -5.495 -2.651 43 HA THR 6 HA THR 6 -7.730 -3.564 -4.091 44 HB THR 6 HB THR 6 -7.230 -3.108 -1.464 45 HG1 THR 6 1HG THR 6 -8.608 -4.560 -0.472 46 1HG2 THR 6 1HG2 THR 6 -8.418 -1.203 -1.890 47 2HG2 THR 6 2HG2 THR 6 -8.963 -1.939 -3.417 48 3HG2 THR 6 3HG2 THR 6 -9.937 -2.129 -1.939 49 H LEU 7 H LEU 7 -5.486 -3.664 -4.051 50 HA LEU 7 HA LEU 7 -4.487 -6.336 -3.636 51 1HB LEU 7 1HB LEU 7 -3.442 -3.814 -4.875 52 2HB LEU 7 2HB LEU 7 -2.342 -5.116 -4.471 53 HG LEU 7 HG LEU 7 -4.652 -6.102 -5.949 54 1HD1 LEU 7 1HD1 LEU 7 -4.928 -4.264 -7.245 55 2HD1 LEU 7 2HD1 LEU 7 -3.273 -3.670 -6.961 56 3HD1 LEU 7 3HD1 LEU 7 -3.559 -4.987 -8.124 57 1HD2 LEU 7 1HD2 LEU 7 -2.196 -7.010 -5.488 58 2HD2 LEU 7 2HD2 LEU 7 -3.112 -7.449 -6.949 59 3HD2 LEU 7 3HD2 LEU 7 -1.871 -6.174 -7.026 60 H CYS 8 H CYS 8 -4.259 -6.861 -1.495 61 HA CYS 8 HA CYS 8 -2.947 -4.875 0.192 62 1HB CYS 8 1HB CYS 8 -4.254 -7.424 1.129 63 2HB CYS 8 2HB CYS 8 -3.821 -6.012 2.074 64 H CYS 9 H CYS 9 -1.156 -5.663 1.613 65 HA CYS 9 HA CYS 9 0.351 -7.740 0.226 66 1HB CYS 9 1HB CYS 9 1.080 -5.299 1.757 67 2HB CYS 9 2HB CYS 9 2.153 -6.676 1.911 68 H ASP 10 H ASP 10 0.879 -9.659 1.297 69 HA ASP 10 HA ASP 10 -0.425 -10.026 3.827 70 1HB ASP 10 1HB ASP 10 -0.162 -12.355 3.437 71 2HB ASP 10 2HB ASP 10 -0.445 -11.685 1.843 72 H GLY 11 H GLY 11 2.441 -8.694 2.902 73 1HA GLY 11 1HA GLY 11 4.536 -8.541 3.729 74 2HA GLY 11 2HA GLY 11 3.741 -8.698 5.283 75 H ALA 12 H ALA 12 3.491 -11.364 2.971 76 HA ALA 12 HA ALA 12 5.756 -12.748 4.123 77 1HB ALA 12 1HB ALA 12 4.415 -13.605 5.760 78 2HB ALA 12 2HB ALA 12 2.919 -13.262 4.861 79 3HB ALA 12 3HB ALA 12 3.890 -14.698 4.458 80 H LEU 13 H LEU 13 5.550 -11.769 1.559 81 HA LEU 13 HA LEU 13 6.201 -13.722 -0.073 82 1HB LEU 13 1HB LEU 13 4.428 -15.135 0.091 83 2HB LEU 13 2HB LEU 13 3.266 -13.851 0.362 84 HG LEU 13 HG LEU 13 4.360 -13.654 -2.312 85 1HD1 LEU 13 1HD1 LEU 13 4.655 -16.155 -1.823 86 2HD1 LEU 13 2HD1 LEU 13 2.877 -16.237 -1.848 87 3HD1 LEU 13 3HD1 LEU 13 3.763 -15.691 -3.292 88 1HD2 LEU 13 1HD2 LEU 13 2.318 -12.855 -2.641 89 2HD2 LEU 13 2HD2 LEU 13 1.588 -14.420 -2.208 90 3HD2 LEU 13 3HD2 LEU 13 1.937 -13.220 -0.941 91 H LYS 14 H LYS 14 3.252 -11.790 -0.824 92 HA LYS 14 HA LYS 14 4.707 -9.545 -1.731 93 1HB LYS 14 1HB LYS 14 4.182 -11.735 -3.669 94 2HB LYS 14 2HB LYS 14 3.787 -10.116 -4.211 95 1HG LYS 14 1HG LYS 14 5.982 -9.687 -4.568 96 2HG LYS 14 2HG LYS 14 6.317 -9.942 -2.866 97 1HD LYS 14 1HD LYS 14 7.699 -11.512 -4.054 98 2HD LYS 14 2HD LYS 14 6.400 -12.454 -3.348 99 1HE LYS 14 1HE LYS 14 5.911 -13.236 -5.420 100 2HE LYS 14 2HE LYS 14 5.391 -11.623 -5.864 101 1HZ LYS 14 1HZ LYS 14 7.406 -11.184 -6.878 102 2HZ LYS 14 2HZ LYS 14 8.270 -12.196 -5.939 103 H ALA 15 H ALA 15 3.015 -8.279 -3.367 104 HA ALA 15 HA ALA 15 0.692 -7.989 -1.708 105 1HB ALA 15 1HB ALA 15 2.242 -6.301 -3.229 106 2HB ALA 15 2HB ALA 15 0.826 -6.536 -4.282 107 3HB ALA 15 3HB ALA 15 0.613 -5.915 -2.627 108 H VAL 16 H VAL 16 -1.265 -8.940 -2.003 109 HA VAL 16 HA VAL 16 -1.802 -10.040 -4.672 110 HB VAL 16 HB VAL 16 -1.088 -11.764 -3.015 111 1HG1 VAL 16 1HG1 VAL 16 -2.963 -12.400 -1.344 112 2HG1 VAL 16 2HG1 VAL 16 -1.877 -11.052 -0.931 113 3HG1 VAL 16 3HG1 VAL 16 -3.511 -10.720 -1.553 114 1HG2 VAL 16 1HG2 VAL 16 -3.936 -11.931 -4.056 115 2HG2 VAL 16 2HG2 VAL 16 -2.451 -12.395 -4.921 116 3HG2 VAL 16 3HG2 VAL 16 -2.972 -13.315 -3.488 117 H SER 17 H SER 17 -4.173 -10.305 -5.108 118 HA SER 17 HA SER 17 -5.488 -7.954 -4.206 119 1HB SER 17 1HB SER 17 -6.757 -10.152 -5.869 120 2HB SER 17 2HB SER 17 -7.121 -8.438 -5.881 121 HG SER 17 HG SER 17 -5.782 -9.277 -7.714 122 H ALA 18 H ALA 18 -7.450 -7.845 -2.961 123 HA ALA 18 HA ALA 18 -8.367 -10.361 -1.799 124 1HB ALA 18 1HB ALA 18 -7.849 -9.808 0.357 125 2HB ALA 18 2HB ALA 18 -6.570 -8.852 -0.431 126 3HB ALA 18 3HB ALA 18 -8.084 -8.066 0.079 127 H CYS 19 H CYS 19 -10.585 -10.414 -1.482 128 HA CYS 19 HA CYS 19 -11.995 -8.112 -2.530 129 1HB CYS 19 1HB CYS 19 -12.537 -10.296 -3.442 130 2HB CYS 19 2HB CYS 19 -12.928 -10.906 -1.846 131 H LEU 20 H LEU 20 -11.689 -6.656 -0.706 132 HA LEU 20 HA LEU 20 -13.156 -7.510 1.693 133 1HB LEU 20 1HB LEU 20 -10.540 -6.251 1.328 134 2HB LEU 20 2HB LEU 20 -11.569 -5.391 2.457 135 HG LEU 20 HG LEU 20 -11.926 -7.650 3.621 136 1HD1 LEU 20 1HD1 LEU 20 -10.986 -9.494 2.826 137 2HD1 LEU 20 2HD1 LEU 20 -10.424 -8.566 1.415 138 3HD1 LEU 20 3HD1 LEU 20 -9.376 -8.732 2.844 139 1HD2 LEU 20 1HD2 LEU 20 -10.505 -5.746 4.435 140 2HD2 LEU 20 2HD2 LEU 20 -10.001 -7.358 4.998 141 3HD2 LEU 20 3HD2 LEU 20 -9.106 -6.553 3.687 142 H HIS 21 H HIS 21 -14.337 -5.740 2.827 143 HA HIS 21 HA HIS 21 -15.406 -3.909 0.818 144 1HB HIS 21 1HB HIS 21 -16.617 -4.845 3.434 145 2HB HIS 21 2HB HIS 21 -17.384 -3.780 2.273 146 HD1 HIS 21 1HD HIS 21 -16.674 -7.371 2.974 147 HD2 HIS 21 2HD HIS 21 -18.192 -5.061 -0.182 148 HE1 HIS 21 1HE HIS 21 -17.786 -9.006 1.362 149 H GLU 22 H GLU 22 -16.466 -1.868 2.199 150 HA GLU 22 HA GLU 22 -14.206 -0.413 2.928 151 1HB GLU 22 1HB GLU 22 -17.078 0.047 2.581 152 2HB GLU 22 2HB GLU 22 -16.458 0.957 3.945 153 1HG GLU 22 1HG GLU 22 -14.684 1.946 2.528 154 2HG GLU 22 2HG GLU 22 -15.188 0.965 1.165 155 H SER 23 H SER 23 -16.478 -2.429 4.729 156 HA SER 23 HA SER 23 -15.816 -1.272 7.238 157 1HB SER 23 1HB SER 23 -17.741 -3.161 6.197 158 2HB SER 23 2HB SER 23 -16.922 -3.904 7.557 159 HG SER 23 HG SER 23 -18.885 -2.077 7.634 160 H GLU 24 H GLU 24 -14.012 -3.026 5.094 161 HA GLU 24 HA GLU 24 -12.566 -4.314 7.272 162 1HB GLU 24 1HB GLU 24 -13.885 -5.832 5.548 163 2HB GLU 24 2HB GLU 24 -12.546 -5.469 4.477 164 1HG GLU 24 1HG GLU 24 -11.938 -7.497 5.607 165 2HG GLU 24 2HG GLU 24 -10.966 -6.238 6.341 166 H SER 25 H SER 25 -10.202 -4.461 6.941 167 HA SER 25 HA SER 25 -9.175 -2.931 4.738 168 1HB SER 25 1HB SER 25 -9.449 -1.821 7.426 169 2HB SER 25 2HB SER 25 -7.759 -1.894 6.967 170 HG SER 25 HG SER 25 -8.073 -0.239 5.657 171 H CYS 26 H CYS 26 -7.056 -3.591 4.184 172 HA CYS 26 HA CYS 26 -5.860 -5.534 6.022 173 1HB CYS 26 1HB CYS 26 -4.930 -6.416 3.670 174 2HB CYS 26 2HB CYS 26 -6.367 -7.044 4.451 175 H LEU 27 H LEU 27 -3.385 -5.837 5.254 176 HA LEU 27 HA LEU 27 -2.167 -3.342 5.600 177 1HB LEU 27 1HB LEU 27 -1.384 -5.766 6.120 178 2HB LEU 27 2HB LEU 27 -0.767 -5.748 4.480 179 HG LEU 27 HG LEU 27 0.542 -3.673 5.079 180 1HD1 LEU 27 1HD1 LEU 27 0.776 -3.981 7.859 181 2HD1 LEU 27 2HD1 LEU 27 0.060 -2.615 6.970 182 3HD1 LEU 27 3HD1 LEU 27 -0.972 -3.956 7.524 183 1HD2 LEU 27 1HD2 LEU 27 1.042 -6.365 6.320 184 2HD2 LEU 27 2HD2 LEU 27 1.833 -5.590 4.927 185 3HD2 LEU 27 3HD2 LEU 27 2.180 -5.020 6.578 186 H VAL 28 H VAL 28 -3.140 -1.978 3.960 187 HA VAL 28 HA VAL 28 -2.737 -2.621 1.211 188 HB VAL 28 HB VAL 28 -4.433 -1.025 2.616 189 1HG1 VAL 28 1HG1 VAL 28 -2.542 0.628 2.928 190 2HG1 VAL 28 2HG1 VAL 28 -2.598 0.907 1.170 191 3HG1 VAL 28 3HG1 VAL 28 -4.018 1.283 2.176 192 1HG2 VAL 28 1HG2 VAL 28 -5.490 -0.996 0.643 193 2HG2 VAL 28 2HG2 VAL 28 -4.174 -0.086 -0.138 194 3HG2 VAL 28 3HG2 VAL 28 -4.080 -1.860 -0.015 195 HA PRO 29 HA PRO 29 1.197 -0.908 0.711 196 1HB PRO 29 1HB PRO 29 1.170 -0.189 -1.925 197 2HB PRO 29 2HB PRO 29 1.422 -1.837 -1.384 198 1HG PRO 29 1HG PRO 29 -0.991 -0.632 -2.592 199 2HG PRO 29 2HG PRO 29 -0.568 -2.326 -2.440 200 1HD PRO 29 1HD PRO 29 -2.462 -0.880 -0.844 201 2HD PRO 29 2HD PRO 29 -1.954 -2.542 -0.619 202 H GLY 30 H GLY 30 2.353 1.098 -0.604 203 1HA GLY 30 1HA GLY 30 0.736 3.480 -0.096 204 2HA GLY 30 2HA GLY 30 2.184 3.273 0.869 205 H ASP 31 H ASP 31 1.667 5.406 -1.077 206 HA ASP 31 HA ASP 31 3.509 4.671 -3.197 207 1HB ASP 31 1HB ASP 31 1.785 7.175 -2.905 208 2HB ASP 31 2HB ASP 31 2.701 6.720 -4.327 209 H CYS 32 H CYS 32 5.618 5.477 -3.074 210 HA CYS 32 HA CYS 32 6.100 7.531 -1.056 211 1HB CYS 32 1HB CYS 32 7.832 5.383 -2.257 212 2HB CYS 32 2HB CYS 32 8.539 6.768 -1.448 213 H CYS 33 H CYS 33 6.353 9.592 -1.844 214 HA CYS 33 HA CYS 33 7.000 9.866 -4.666 215 1HB CYS 33 1HB CYS 33 5.319 11.282 -2.820 216 2HB CYS 33 2HB CYS 33 6.519 12.388 -3.459 217 H ARG 34 H ARG 34 9.021 10.579 -5.316 218 HA ARG 34 HA ARG 34 10.689 11.711 -3.218 219 1HB ARG 34 1HB ARG 34 11.535 9.471 -3.565 220 2HB ARG 34 2HB ARG 34 11.393 9.604 -5.306 221 1HG ARG 34 1HG ARG 34 13.213 11.224 -5.414 222 2HG ARG 34 2HG ARG 34 13.250 11.386 -3.670 223 1HD ARG 34 1HD ARG 34 13.561 8.578 -4.550 224 2HD ARG 34 2HD ARG 34 14.817 9.624 -5.183 225 HE ARG 34 HE ARG 34 14.238 9.930 -2.298 226 1HH1 ARG 34 1HH1 ARG 34 16.303 8.451 -4.768 227 2HH1 ARG 34 2HH1 ARG 34 17.600 8.125 -3.666 228 1HH2 ARG 34 1HH2 ARG 34 17.368 8.749 -1.365 229 H GLY 35 H GLY 35 10.325 13.875 -3.967 230 1HA GLY 35 1HA GLY 35 10.839 15.704 -5.178 231 2HA GLY 35 2HA GLY 35 11.976 14.741 -6.100 232 H LYS 36 H LYS 36 11.197 13.476 -7.968 233 HA LYS 36 HA LYS 36 8.540 14.282 -8.890 234 1HB LYS 36 1HB LYS 36 9.333 14.960 -11.026 235 2HB LYS 36 2HB LYS 36 10.278 15.827 -9.831 236 1HG LYS 36 1HG LYS 36 12.223 14.577 -10.246 237 2HG LYS 36 2HG LYS 36 11.336 13.177 -10.814 238 1HD LYS 36 1HD LYS 36 12.237 14.065 -12.809 239 2HD LYS 36 2HD LYS 36 10.598 14.686 -12.816 240 1HE LYS 36 1HE LYS 36 12.975 16.247 -11.702 241 2HE LYS 36 2HE LYS 36 12.409 16.407 -13.353 242 1HZ LYS 36 1HZ LYS 36 11.070 17.977 -12.442 243 2HZ LYS 36 2HZ LYS 36 10.127 16.740 -11.962 244 H SER 37 H SER 37 9.922 11.825 -7.670 245 HA SER 37 HA SER 37 9.204 10.054 -9.871 246 1HB SER 37 1HB SER 37 11.605 10.016 -8.060 247 2HB SER 37 2HB SER 37 10.918 8.470 -8.515 248 HG SER 37 HG SER 37 12.047 8.697 -10.318 249 H ARG 38 H ARG 38 7.300 9.065 -9.310 250 HA ARG 38 HA ARG 38 6.751 8.755 -6.502 251 1HB ARG 38 1HB ARG 38 4.462 7.945 -7.469 252 2HB ARG 38 2HB ARG 38 4.870 9.639 -7.660 253 1HG ARG 38 1HG ARG 38 5.194 9.456 -9.951 254 2HG ARG 38 2HG ARG 38 5.808 7.818 -9.847 255 1HD ARG 38 1HD ARG 38 2.873 8.541 -9.391 256 2HD ARG 38 2HD ARG 38 3.511 8.039 -10.945 257 HE ARG 38 HE ARG 38 3.061 6.329 -8.602 258 1HH1 ARG 38 1HH1 ARG 38 4.786 6.639 -11.680 259 2HH1 ARG 38 2HH1 ARG 38 5.023 4.933 -11.862 260 1HH2 ARG 38 1HH2 ARG 38 4.183 3.446 -10.182 261 H LEU 39 H LEU 39 6.174 6.670 -5.553 262 HA LEU 39 HA LEU 39 6.707 4.347 -7.236 263 1HB LEU 39 1HB LEU 39 8.218 5.167 -4.783 264 2HB LEU 39 2HB LEU 39 7.978 3.465 -5.126 265 HG LEU 39 HG LEU 39 10.098 4.021 -5.995 266 1HD1 LEU 39 1HD1 LEU 39 9.946 3.253 -8.159 267 2HD1 LEU 39 2HD1 LEU 39 8.360 2.775 -7.507 268 3HD1 LEU 39 3HD1 LEU 39 8.503 4.227 -8.525 269 1HD2 LEU 39 1HD2 LEU 39 9.153 6.596 -6.199 270 2HD2 LEU 39 2HD2 LEU 39 10.732 6.015 -6.780 271 3HD2 LEU 39 3HD2 LEU 39 9.354 6.120 -7.901 272 H THR 40 H THR 40 5.919 2.298 -6.174 273 HA THR 40 HA THR 40 3.968 2.749 -4.060 274 HB THR 40 HB THR 40 3.332 1.820 -6.903 275 HG1 THR 40 1HG THR 40 2.052 3.713 -6.743 276 1HG2 THR 40 1HG2 THR 40 2.215 0.397 -5.027 277 2HG2 THR 40 2HG2 THR 40 1.404 1.905 -4.538 278 3HG2 THR 40 3HG2 THR 40 1.120 1.227 -6.160 279 H LEU 41 H LEU 41 4.706 1.390 -2.543 280 HA LEU 41 HA LEU 41 4.822 -1.404 -3.254 281 1HB LEU 41 1HB LEU 41 7.205 -0.524 -1.755 282 2HB LEU 41 2HB LEU 41 7.009 -1.817 -2.922 283 HG LEU 41 HG LEU 41 6.969 1.042 -3.850 284 1HD1 LEU 41 1HD1 LEU 41 9.025 1.407 -3.083 285 2HD1 LEU 41 2HD1 LEU 41 9.218 -0.287 -2.570 286 3HD1 LEU 41 3HD1 LEU 41 9.583 0.182 -4.247 287 1HD2 LEU 41 1HD2 LEU 41 6.675 -1.401 -5.129 288 2HD2 LEU 41 2HD2 LEU 41 7.034 0.165 -5.895 289 3HD2 LEU 41 3HD2 LEU 41 8.361 -0.941 -5.468 290 H CYS 42 H CYS 42 5.600 -2.583 -0.989 291 HA CYS 42 HA CYS 42 3.788 -1.396 0.971 292 1HB CYS 42 1HB CYS 42 4.746 -4.250 0.667 293 2HB CYS 42 2HB CYS 42 3.706 -3.671 1.952 294 H SER 43 H SER 43 4.664 -0.594 2.864 295 HA SER 43 HA SER 43 7.044 -1.725 3.910 296 1HB SER 43 1HB SER 43 7.157 1.194 3.037 297 2HB SER 43 2HB SER 43 8.436 0.291 3.823 298 HG SER 43 HG SER 43 8.320 -1.190 1.883 299 H TYR 44 H TYR 44 6.743 -1.697 6.110 300 HA TYR 44 HA TYR 44 4.708 0.082 7.165 301 1HB TYR 44 1HB TYR 44 6.420 -1.852 8.768 302 2HB TYR 44 2HB TYR 44 4.702 -1.547 8.925 303 HD1 TYR 44 1HD TYR 44 6.461 -4.209 8.595 304 HD2 TYR 44 2HD TYR 44 3.891 -1.949 6.028 305 HE1 TYR 44 1HE TYR 44 5.960 -6.303 7.241 306 HE2 TYR 44 2HE TYR 44 3.398 -4.049 4.683 307 HH TYR 44 HH TYR 44 3.919 -6.131 4.347 308 H GLY 45 H GLY 45 5.108 1.217 9.277 309 1HA GLY 45 1HA GLY 45 7.883 2.243 9.366 310 2HA GLY 45 2HA GLY 45 6.454 3.220 9.641 311 H GLU 46 H GLU 46 6.544 3.809 11.783 312 HA GLU 46 HA GLU 46 7.504 1.941 13.705 313 1HB GLU 46 1HB GLU 46 7.066 4.798 13.539 314 2HB GLU 46 2HB GLU 46 6.272 4.194 14.979 315 1HG GLU 46 1HG GLU 46 9.205 3.890 14.216 316 2HG GLU 46 2HG GLU 46 8.547 4.737 15.601 317 H GLY 47 H GLY 47 4.803 1.731 12.041 318 1HA GLY 47 1HA GLY 47 3.328 0.477 14.173 319 2HA GLY 47 2HA GLY 47 2.572 1.941 13.574 320 H GLY 48 H GLY 48 3.463 -1.405 12.850 321 1HA GLY 48 1HA GLY 48 3.211 -1.779 10.227 322 2HA GLY 48 2HA GLY 48 2.443 -2.831 11.400 323 H ASN 49 H ASN 49 0.610 -0.659 12.413 324 HA ASN 49 HA ASN 49 -1.340 -0.997 10.337 325 1HB ASN 49 1HB ASN 49 -1.386 -0.043 13.224 326 2HB ASN 49 2HB ASN 49 -2.762 0.290 12.190 327 1HD2 ASN 49 1HD2 ASN 49 -3.310 -1.733 10.741 328 2HD2 ASN 49 2HD2 ASN 49 -3.531 -3.216 11.608 329 H GLY 50 H GLY 50 0.744 0.721 9.508 330 1HA GLY 50 1HA GLY 50 -0.605 3.048 8.742 331 2HA GLY 50 2HA GLY 50 0.392 3.442 10.128 332 H PHE 51 H PHE 51 0.470 1.941 6.845 333 HA PHE 51 HA PHE 51 3.091 1.504 6.483 334 1HB PHE 51 1HB PHE 51 1.382 1.126 4.754 335 2HB PHE 51 2HB PHE 51 0.944 2.822 4.733 336 HD1 PHE 51 1HD PHE 51 2.980 0.298 3.258 337 HD2 PHE 51 2HD PHE 51 2.695 4.487 3.870 338 HE1 PHE 51 1HE PHE 51 4.565 0.684 1.351 339 HE2 PHE 51 2HE PHE 51 4.280 4.873 1.963 340 HZ PHE 51 HZ PHE 51 5.197 2.967 0.726 341 H GLN 52 H GLN 52 4.922 2.700 5.664 342 HA GLN 52 HA GLN 52 4.633 5.580 5.851 343 1HB GLN 52 1HB GLN 52 5.749 4.137 7.925 344 2HB GLN 52 2HB GLN 52 7.172 4.518 6.975 345 1HG GLN 52 1HG GLN 52 7.097 6.470 8.200 346 2HG GLN 52 2HG GLN 52 6.005 6.962 6.920 347 1HE2 GLN 52 1HE2 GLN 52 4.954 8.397 8.279 348 2HE2 GLN 52 2HE2 GLN 52 3.828 7.897 9.497 349 H CYS 53 H CYS 53 7.310 6.305 5.387 350 HA CYS 53 HA CYS 53 7.923 4.881 2.903 351 1HB CYS 53 1HB CYS 53 7.492 7.796 3.354 352 2HB CYS 53 2HB CYS 53 8.766 7.322 2.247 353 HA PRO 54 HA PRO 54 11.906 4.812 4.671 354 1HB PRO 54 1HB PRO 54 13.440 4.271 2.475 355 2HB PRO 54 2HB PRO 54 12.547 3.041 3.346 356 1HG PRO 54 1HG PRO 54 11.929 4.281 0.735 357 2HG PRO 54 2HG PRO 54 11.313 2.788 1.415 358 1HD PRO 54 1HD PRO 54 9.933 5.297 1.252 359 2HD PRO 54 2HD PRO 54 9.363 3.837 2.035 360 H THR 55 H THR 55 14.264 5.659 4.391 361 HA THR 55 HA THR 55 14.026 8.454 4.453 362 HB THR 55 HB THR 55 16.398 6.532 4.226 363 HG1 THR 55 1HG THR 55 16.344 6.985 6.538 364 1HG2 THR 55 1HG2 THR 55 16.249 9.525 4.362 365 2HG2 THR 55 2HG2 THR 55 17.327 8.750 5.548 366 3HG2 THR 55 3HG2 THR 55 17.583 8.484 3.806 367 H GLY 56 H GLY 56 14.188 10.045 2.970 368 1HA GLY 56 1HA GLY 56 14.905 11.005 0.991 369 2HA GLY 56 2HA GLY 56 15.328 9.429 0.354 370 H TYR 57 H TYR 57 12.377 8.869 1.752 371 HA TYR 57 HA TYR 57 10.937 9.640 -0.697 372 1HB TYR 57 1HB TYR 57 10.990 7.169 1.120 373 2HB TYR 57 2HB TYR 57 9.591 7.476 0.112 374 HD1 TYR 57 1HD TYR 57 10.002 7.732 -2.442 375 HD2 TYR 57 2HD TYR 57 12.848 6.019 0.254 376 HE1 TYR 57 1HE TYR 57 11.158 6.574 -4.387 377 HE2 TYR 57 2HE TYR 57 13.996 4.868 -1.700 378 HH TYR 57 HH TYR 57 12.596 4.958 -4.920 379 H ARG 58 H ARG 58 8.676 10.177 -0.454 380 HA ARG 58 HA ARG 58 7.817 10.512 2.282 381 1HB ARG 58 1HB ARG 58 8.914 12.674 1.079 382 2HB ARG 58 2HB ARG 58 7.309 12.811 0.391 383 1HG ARG 58 1HG ARG 58 7.388 12.283 3.332 384 2HG ARG 58 2HG ARG 58 8.027 13.839 2.838 385 1HD ARG 58 1HD ARG 58 5.760 13.832 1.333 386 2HD ARG 58 2HD ARG 58 5.219 12.781 2.627 387 HE ARG 58 HE ARG 58 5.070 14.663 3.988 388 1HH1 ARG 58 1HH1 ARG 58 7.495 15.314 1.488 389 2HH1 ARG 58 2HH1 ARG 58 7.787 16.936 2.019 390 1HH2 ARG 58 1HH2 ARG 58 6.576 17.791 3.903 391 H GLN 59 H GLN 59 5.765 9.658 2.432 392 HA GLN 59 HA GLN 59 4.395 8.495 0.519 393 1HB GLN 59 1HB GLN 59 2.300 8.978 1.873 394 2HB GLN 59 2HB GLN 59 3.645 8.339 2.796 395 1HG GLN 59 1HG GLN 59 4.186 10.496 3.716 396 2HG GLN 59 2HG GLN 59 3.200 11.339 2.537 397 1HE2 GLN 59 1HE2 GLN 59 0.854 10.775 2.524 398 2HE2 GLN 59 2HE2 GLN 59 0.053 10.567 4.046 399 H CYS 60 H CYS 60 3.298 9.008 -1.341 400 HA CYS 60 HA CYS 60 3.214 11.762 -2.095 401 1HB CYS 60 1HB CYS 60 3.588 9.497 -3.493 402 2HB CYS 60 2HB CYS 60 1.864 9.688 -3.742 Start of MODEL 10 1 1H ASP 1 1H ASP 1 -25.985 -6.007 -5.875 2 HA ASP 1 HA ASP 1 -23.614 -4.750 -5.704 3 1HB ASP 1 1HB ASP 1 -24.680 -6.196 -3.270 4 2HB ASP 1 2HB ASP 1 -24.025 -4.574 -3.378 5 H ARG 2 H ARG 2 -21.804 -5.434 -3.937 6 HA ARG 2 HA ARG 2 -21.273 -7.962 -3.258 7 1HB ARG 2 1HB ARG 2 -19.398 -8.350 -5.189 8 2HB ARG 2 2HB ARG 2 -21.022 -8.996 -5.314 9 1HG ARG 2 1HG ARG 2 -21.608 -7.558 -7.003 10 2HG ARG 2 2HG ARG 2 -20.802 -6.192 -6.258 11 1HD ARG 2 1HD ARG 2 -19.205 -6.421 -7.868 12 2HD ARG 2 2HD ARG 2 -18.657 -7.834 -6.990 13 HE ARG 2 HE ARG 2 -20.717 -8.849 -8.517 14 1HH1 ARG 2 1HH1 ARG 2 -17.856 -6.917 -9.317 15 2HH1 ARG 2 2HH1 ARG 2 -17.717 -7.561 -10.919 16 1HH2 ARG 2 1HH2 ARG 2 -19.301 -9.194 -11.670 17 H CYS 3 H CYS 3 -18.830 -8.291 -2.743 18 HA CYS 3 HA CYS 3 -17.854 -6.032 -1.508 19 1HB CYS 3 1HB CYS 3 -16.173 -7.345 -0.750 20 2HB CYS 3 2HB CYS 3 -17.303 -8.588 -1.252 21 H ARG 4 H ARG 4 -15.759 -4.857 -2.018 22 HA ARG 4 HA ARG 4 -15.626 -4.458 -4.890 23 1HB ARG 4 1HB ARG 4 -16.101 -2.570 -3.042 24 2HB ARG 4 2HB ARG 4 -14.356 -2.568 -2.895 25 1HG ARG 4 1HG ARG 4 -14.504 -1.032 -4.605 26 2HG ARG 4 2HG ARG 4 -14.520 -2.475 -5.599 27 1HD ARG 4 1HD ARG 4 -16.387 -1.234 -6.391 28 2HD ARG 4 2HD ARG 4 -17.112 -2.430 -5.337 29 HE ARG 4 HE ARG 4 -16.458 -0.071 -3.815 30 1HH1 ARG 4 1HH1 ARG 4 -18.794 -1.250 -6.204 31 2HH1 ARG 4 2HH1 ARG 4 -20.045 -0.161 -5.703 32 1HH2 ARG 4 1HH2 ARG 4 -19.619 1.369 -3.908 33 H TYR 5 H TYR 5 -14.117 -6.137 -5.424 34 HA TYR 5 HA TYR 5 -11.942 -6.982 -4.106 35 1HB TYR 5 1HB TYR 5 -12.247 -6.212 -7.077 36 2HB TYR 5 2HB TYR 5 -11.035 -7.332 -6.486 37 HD1 TYR 5 1HD TYR 5 -14.479 -6.927 -7.521 38 HD2 TYR 5 2HD TYR 5 -11.773 -9.531 -5.468 39 HE1 TYR 5 1HE TYR 5 -16.113 -8.855 -7.796 40 HE2 TYR 5 2HE TYR 5 -13.418 -11.449 -5.750 41 HH TYR 5 HH TYR 5 -15.308 -11.952 -7.526 42 H THR 6 H THR 6 -10.301 -5.933 -3.103 43 HA THR 6 HA THR 6 -9.213 -3.560 -4.473 44 HB THR 6 HB THR 6 -9.135 -4.075 -1.471 45 HG1 THR 6 1HG THR 6 -11.366 -4.135 -2.289 46 1HG2 THR 6 1HG2 THR 6 -9.565 -1.397 -1.884 47 2HG2 THR 6 2HG2 THR 6 -7.938 -2.105 -1.745 48 3HG2 THR 6 3HG2 THR 6 -8.638 -1.793 -3.351 49 H LEU 7 H LEU 7 -6.870 -3.114 -3.855 50 HA LEU 7 HA LEU 7 -5.476 -5.686 -3.986 51 1HB LEU 7 1HB LEU 7 -4.770 -2.923 -4.961 52 2HB LEU 7 2HB LEU 7 -3.598 -4.222 -4.869 53 HG LEU 7 HG LEU 7 -5.763 -5.330 -6.265 54 1HD1 LEU 7 1HD1 LEU 7 -6.752 -3.817 -7.572 55 2HD1 LEU 7 2HD1 LEU 7 -6.113 -2.597 -6.445 56 3HD1 LEU 7 3HD1 LEU 7 -5.217 -2.991 -7.931 57 1HD2 LEU 7 1HD2 LEU 7 -3.374 -4.150 -7.656 58 2HD2 LEU 7 2HD2 LEU 7 -3.183 -5.498 -6.511 59 3HD2 LEU 7 3HD2 LEU 7 -4.214 -5.691 -7.950 60 H CYS 8 H CYS 8 -4.848 -6.368 -2.002 61 HA CYS 8 HA CYS 8 -3.743 -4.309 -0.232 62 1HB CYS 8 1HB CYS 8 -4.961 -6.919 0.668 63 2HB CYS 8 2HB CYS 8 -4.474 -5.559 1.660 64 H CYS 9 H CYS 9 -1.893 -5.100 1.135 65 HA CYS 9 HA CYS 9 -0.247 -6.872 -0.445 66 1HB CYS 9 1HB CYS 9 0.580 -5.449 2.077 67 2HB CYS 9 2HB CYS 9 1.595 -6.059 0.785 68 H ASP 10 H ASP 10 1.022 -8.625 0.737 69 HA ASP 10 HA ASP 10 -0.812 -10.023 2.439 70 1HB ASP 10 1HB ASP 10 1.828 -10.715 1.097 71 2HB ASP 10 2HB ASP 10 1.120 -11.791 2.284 72 H GLY 11 H GLY 11 1.685 -7.752 2.783 73 1HA GLY 11 1HA GLY 11 2.498 -6.930 4.773 74 2HA GLY 11 2HA GLY 11 2.033 -8.404 5.598 75 H ALA 12 H ALA 12 3.272 -10.238 3.606 76 HA ALA 12 HA ALA 12 6.068 -9.528 3.605 77 1HB ALA 12 1HB ALA 12 5.138 -10.725 5.884 78 2HB ALA 12 2HB ALA 12 5.566 -12.148 4.905 79 3HB ALA 12 3HB ALA 12 6.795 -10.910 5.261 80 H LEU 13 H LEU 13 5.124 -9.611 1.297 81 HA LEU 13 HA LEU 13 6.080 -11.871 0.031 82 1HB LEU 13 1HB LEU 13 3.278 -12.079 0.907 83 2HB LEU 13 2HB LEU 13 3.538 -12.425 -0.791 84 HG LEU 13 HG LEU 13 5.489 -13.772 0.924 85 1HD1 LEU 13 1HD1 LEU 13 3.600 -13.728 2.510 86 2HD1 LEU 13 2HD1 LEU 13 2.574 -14.518 1.287 87 3HD1 LEU 13 3HD1 LEU 13 3.987 -15.374 1.951 88 1HD2 LEU 13 1HD2 LEU 13 5.355 -15.379 -0.650 89 2HD2 LEU 13 2HD2 LEU 13 3.580 -15.305 -0.738 90 3HD2 LEU 13 3HD2 LEU 13 4.564 -14.094 -1.593 91 H LYS 14 H LYS 14 2.954 -10.615 -1.061 92 HA LYS 14 HA LYS 14 4.191 -8.435 -2.485 93 1HB LYS 14 1HB LYS 14 3.456 -11.009 -3.805 94 2HB LYS 14 2HB LYS 14 3.031 -9.529 -4.642 95 1HG LYS 14 1HG LYS 14 5.186 -9.192 -5.261 96 2HG LYS 14 2HG LYS 14 5.723 -9.258 -3.595 97 1HD LYS 14 1HD LYS 14 5.219 -11.696 -5.367 98 2HD LYS 14 2HD LYS 14 6.798 -11.020 -5.018 99 1HE LYS 14 1HE LYS 14 6.610 -11.560 -2.656 100 2HE LYS 14 2HE LYS 14 4.907 -11.944 -2.811 101 1HZ LYS 14 1HZ LYS 14 6.858 -13.780 -2.959 102 2HZ LYS 14 2HZ LYS 14 5.393 -13.990 -3.640 103 H ALA 15 H ALA 15 2.216 -7.675 -4.173 104 HA ALA 15 HA ALA 15 -0.035 -7.351 -2.326 105 1HB ALA 15 1HB ALA 15 -0.510 -5.322 -3.626 106 2HB ALA 15 2HB ALA 15 1.179 -5.313 -3.062 107 3HB ALA 15 3HB ALA 15 0.808 -5.718 -4.755 108 H VAL 16 H VAL 16 -1.997 -8.240 -2.794 109 HA VAL 16 HA VAL 16 -2.464 -9.054 -5.567 110 HB VAL 16 HB VAL 16 -1.631 -10.876 -3.848 111 1HG1 VAL 16 1HG1 VAL 16 -3.795 -10.089 -2.431 112 2HG1 VAL 16 2HG1 VAL 16 -4.521 -11.395 -3.397 113 3HG1 VAL 16 3HG1 VAL 16 -3.115 -11.732 -2.359 114 1HG2 VAL 16 1HG2 VAL 16 -2.386 -11.158 -6.244 115 2HG2 VAL 16 2HG2 VAL 16 -2.686 -12.554 -5.181 116 3HG2 VAL 16 3HG2 VAL 16 -4.024 -11.463 -5.614 117 H SER 17 H SER 17 -4.922 -9.740 -5.755 118 HA SER 17 HA SER 17 -6.348 -7.543 -4.550 119 1HB SER 17 1HB SER 17 -7.533 -9.502 -6.534 120 2HB SER 17 2HB SER 17 -7.954 -7.820 -6.276 121 HG SER 17 HG SER 17 -5.531 -7.506 -6.987 122 H ALA 18 H ALA 18 -8.013 -7.792 -3.037 123 HA ALA 18 HA ALA 18 -8.719 -10.564 -2.360 124 1HB ALA 18 1HB ALA 18 -7.382 -10.037 -0.545 125 2HB ALA 18 2HB ALA 18 -7.740 -8.296 -0.647 126 3HB ALA 18 3HB ALA 18 -8.947 -9.416 0.031 127 H CYS 19 H CYS 19 -10.881 -10.748 -1.296 128 HA CYS 19 HA CYS 19 -12.657 -8.757 -2.467 129 1HB CYS 19 1HB CYS 19 -13.054 -11.040 -3.163 130 2HB CYS 19 2HB CYS 19 -13.169 -11.575 -1.498 131 H LEU 20 H LEU 20 -12.479 -7.102 -0.850 132 HA LEU 20 HA LEU 20 -13.593 -7.898 1.748 133 1HB LEU 20 1HB LEU 20 -12.024 -6.776 2.914 134 2HB LEU 20 2HB LEU 20 -11.052 -7.285 1.548 135 HG LEU 20 HG LEU 20 -12.228 -4.737 0.935 136 1HD1 LEU 20 1HD1 LEU 20 -10.636 -4.714 3.511 137 2HD1 LEU 20 2HD1 LEU 20 -11.355 -3.326 2.661 138 3HD1 LEU 20 3HD1 LEU 20 -12.405 -4.545 3.422 139 1HD2 LEU 20 1HD2 LEU 20 -9.618 -4.198 1.144 140 2HD2 LEU 20 2HD2 LEU 20 -9.530 -5.976 1.118 141 3HD2 LEU 20 3HD2 LEU 20 -10.312 -5.104 -0.223 142 H HIS 21 H HIS 21 -14.595 -5.931 2.907 143 HA HIS 21 HA HIS 21 -15.936 -4.316 0.863 144 1HB HIS 21 1HB HIS 21 -17.008 -5.236 3.544 145 2HB HIS 21 2HB HIS 21 -17.865 -4.238 2.385 146 HD1 HIS 21 1HD HIS 21 -16.761 -7.784 3.011 147 HD2 HIS 21 2HD HIS 21 -18.907 -5.609 0.137 148 HE1 HIS 21 1HE HIS 21 -17.910 -9.508 1.521 149 H GLU 22 H GLU 22 -17.030 -2.284 2.222 150 HA GLU 22 HA GLU 22 -14.775 -0.760 2.900 151 1HB GLU 22 1HB GLU 22 -17.639 -0.337 2.443 152 2HB GLU 22 2HB GLU 22 -17.062 0.644 3.776 153 1HG GLU 22 1HG GLU 22 -15.522 0.514 1.156 154 2HG GLU 22 2HG GLU 22 -16.879 1.607 1.346 155 H SER 23 H SER 23 -17.045 -2.750 4.709 156 HA SER 23 HA SER 23 -16.526 -1.460 7.185 157 1HB SER 23 1HB SER 23 -18.342 -3.456 6.160 158 2HB SER 23 2HB SER 23 -17.541 -4.124 7.569 159 HG SER 23 HG SER 23 -18.918 -2.961 8.714 160 H GLU 24 H GLU 24 -14.590 -3.261 5.185 161 HA GLU 24 HA GLU 24 -13.133 -4.315 7.474 162 1HB GLU 24 1HB GLU 24 -14.412 -6.048 5.942 163 2HB GLU 24 2HB GLU 24 -13.103 -5.760 4.814 164 1HG GLU 24 1HG GLU 24 -12.443 -7.650 6.163 165 2HG GLU 24 2HG GLU 24 -11.461 -6.296 6.686 166 H SER 25 H SER 25 -10.752 -4.524 7.075 167 HA SER 25 HA SER 25 -9.880 -2.903 4.830 168 1HB SER 25 1HB SER 25 -8.352 -1.621 6.239 169 2HB SER 25 2HB SER 25 -9.984 -1.444 6.853 170 HG SER 25 HG SER 25 -9.327 -3.380 8.298 171 H CYS 26 H CYS 26 -7.292 -3.060 4.731 172 HA CYS 26 HA CYS 26 -6.316 -5.553 5.793 173 1HB CYS 26 1HB CYS 26 -5.497 -6.022 3.303 174 2HB CYS 26 2HB CYS 26 -6.970 -6.693 3.973 175 H LEU 27 H LEU 27 -3.881 -5.774 4.864 176 HA LEU 27 HA LEU 27 -2.581 -3.393 5.612 177 1HB LEU 27 1HB LEU 27 -1.881 -5.910 5.728 178 2HB LEU 27 2HB LEU 27 -1.241 -5.620 4.122 179 HG LEU 27 HG LEU 27 0.423 -5.410 5.974 180 1HD1 LEU 27 1HD1 LEU 27 0.076 -2.799 4.491 181 2HD1 LEU 27 2HD1 LEU 27 1.585 -3.579 5.023 182 3HD1 LEU 27 3HD1 LEU 27 0.623 -4.302 3.711 183 1HD2 LEU 27 1HD2 LEU 27 -0.559 -2.706 6.697 184 2HD2 LEU 27 2HD2 LEU 27 -1.472 -4.086 7.356 185 3HD2 LEU 27 3HD2 LEU 27 0.273 -3.936 7.679 186 H VAL 28 H VAL 28 -3.208 -1.651 4.308 187 HA VAL 28 HA VAL 28 -3.065 -1.901 1.456 188 HB VAL 28 HB VAL 28 -3.545 0.414 3.337 189 1HG1 VAL 28 1HG1 VAL 28 -3.960 1.840 1.535 190 2HG1 VAL 28 2HG1 VAL 28 -2.507 0.952 1.017 191 3HG1 VAL 28 3HG1 VAL 28 -4.104 0.497 0.375 192 1HG2 VAL 28 1HG2 VAL 28 -5.617 -0.402 3.455 193 2HG2 VAL 28 2HG2 VAL 28 -5.789 -0.128 1.705 194 3HG2 VAL 28 3HG2 VAL 28 -5.213 -1.701 2.306 195 HA PRO 29 HA PRO 29 1.093 -0.760 1.089 196 1HB PRO 29 1HB PRO 29 1.168 -0.057 -1.551 197 2HB PRO 29 2HB PRO 29 1.238 -1.719 -1.000 198 1HG PRO 29 1HG PRO 29 -1.022 -0.273 -2.237 199 2HG PRO 29 2HG PRO 29 -0.784 -2.001 -2.074 200 1HD PRO 29 1HD PRO 29 -2.529 -0.352 -0.502 201 2HD PRO 29 2HD PRO 29 -2.202 -2.058 -0.265 202 H GLY 30 H GLY 30 2.449 1.111 -0.265 203 1HA GLY 30 1HA GLY 30 1.095 3.649 0.256 204 2HA GLY 30 2HA GLY 30 2.529 3.295 1.199 205 H ASP 31 H ASP 31 2.156 5.451 -0.790 206 HA ASP 31 HA ASP 31 4.137 4.554 -2.733 207 1HB ASP 31 1HB ASP 31 2.237 6.912 -3.069 208 2HB ASP 31 2HB ASP 31 3.229 6.168 -4.307 209 H CYS 32 H CYS 32 6.109 5.351 -1.949 210 HA CYS 32 HA CYS 32 6.111 7.853 -0.506 211 1HB CYS 32 1HB CYS 32 8.533 6.185 -1.139 212 2HB CYS 32 2HB CYS 32 8.299 7.327 0.170 213 H CYS 33 H CYS 33 6.603 9.795 -1.486 214 HA CYS 33 HA CYS 33 7.941 9.628 -4.088 215 1HB CYS 33 1HB CYS 33 6.614 11.369 -4.952 216 2HB CYS 33 2HB CYS 33 5.515 10.203 -4.242 217 H ARG 34 H ARG 34 9.455 11.390 -4.516 218 HA ARG 34 HA ARG 34 9.858 13.309 -2.457 219 1HB ARG 34 1HB ARG 34 11.138 11.478 -1.464 220 2HB ARG 34 2HB ARG 34 11.918 11.116 -2.991 221 1HG ARG 34 1HG ARG 34 13.598 12.381 -2.006 222 2HG ARG 34 2HG ARG 34 12.725 13.663 -2.822 223 1HD ARG 34 1HD ARG 34 11.657 13.020 -0.121 224 2HD ARG 34 2HD ARG 34 13.306 13.612 -0.105 225 HE ARG 34 HE ARG 34 11.424 15.169 -1.768 226 1HH1 ARG 34 1HH1 ARG 34 13.029 14.855 1.374 227 2HH1 ARG 34 2HH1 ARG 34 12.773 16.512 1.810 228 1HH2 ARG 34 1HH2 ARG 34 11.627 17.963 0.285 229 H GLY 35 H GLY 35 10.537 15.196 -3.457 230 1HA GLY 35 1HA GLY 35 11.474 16.578 -4.970 231 2HA GLY 35 2HA GLY 35 12.447 15.244 -5.554 232 H LYS 36 H LYS 36 11.709 13.925 -7.312 233 HA LYS 36 HA LYS 36 9.161 14.694 -8.496 234 1HB LYS 36 1HB LYS 36 10.066 15.213 -10.622 235 2HB LYS 36 2HB LYS 36 10.971 16.158 -9.455 236 1HG LYS 36 1HG LYS 36 12.931 15.079 -9.920 237 2HG LYS 36 2HG LYS 36 12.172 13.499 -9.902 238 1HD LYS 36 1HD LYS 36 12.813 13.699 -12.156 239 2HD LYS 36 2HD LYS 36 11.137 14.208 -12.214 240 1HE LYS 36 1HE LYS 36 11.709 16.299 -12.902 241 2HE LYS 36 2HE LYS 36 12.850 16.491 -11.586 242 1HZ LYS 36 1HZ LYS 36 14.429 16.308 -13.160 243 2HZ LYS 36 2HZ LYS 36 14.074 14.725 -13.297 244 H SER 37 H SER 37 10.353 12.364 -6.970 245 HA SER 37 HA SER 37 9.845 10.404 -9.066 246 1HB SER 37 1HB SER 37 12.004 10.421 -6.940 247 2HB SER 37 2HB SER 37 11.414 8.898 -7.576 248 HG SER 37 HG SER 37 12.138 10.925 -9.452 249 H ARG 38 H ARG 38 8.817 8.382 -8.276 250 HA ARG 38 HA ARG 38 7.877 8.471 -5.569 251 1HB ARG 38 1HB ARG 38 6.112 9.739 -6.710 252 2HB ARG 38 2HB ARG 38 5.999 8.538 -7.980 253 1HG ARG 38 1HG ARG 38 5.278 6.834 -6.257 254 2HG ARG 38 2HG ARG 38 5.309 8.093 -5.038 255 1HD ARG 38 1HD ARG 38 3.052 8.151 -5.661 256 2HD ARG 38 2HD ARG 38 3.706 9.389 -6.714 257 HE ARG 38 HE ARG 38 3.977 7.027 -8.180 258 1HH1 ARG 38 1HH1 ARG 38 1.269 8.739 -6.667 259 2HH1 ARG 38 2HH1 ARG 38 0.102 8.158 -7.809 260 1HH2 ARG 38 1HH2 ARG 38 0.813 6.702 -9.575 261 H LEU 39 H LEU 39 7.032 6.353 -4.857 262 HA LEU 39 HA LEU 39 7.086 4.204 -6.780 263 1HB LEU 39 1HB LEU 39 9.274 3.859 -6.454 264 2HB LEU 39 2HB LEU 39 9.314 4.747 -4.944 265 HG LEU 39 HG LEU 39 8.016 2.041 -5.016 266 1HD1 LEU 39 1HD1 LEU 39 10.552 1.446 -4.197 267 2HD1 LEU 39 2HD1 LEU 39 9.898 1.131 -5.822 268 3HD1 LEU 39 3HD1 LEU 39 10.861 2.598 -5.519 269 1HD2 LEU 39 1HD2 LEU 39 8.204 2.080 -2.760 270 2HD2 LEU 39 2HD2 LEU 39 9.745 2.970 -2.786 271 3HD2 LEU 39 3HD2 LEU 39 8.211 3.838 -3.038 272 H THR 40 H THR 40 5.807 2.458 -6.124 273 HA THR 40 HA THR 40 4.572 2.779 -3.467 274 HB THR 40 HB THR 40 3.225 1.754 -6.015 275 HG1 THR 40 1HG THR 40 2.929 3.917 -6.433 276 1HG2 THR 40 1HG2 THR 40 1.857 1.145 -4.155 277 2HG2 THR 40 2HG2 THR 40 2.316 2.598 -3.235 278 3HG2 THR 40 3HG2 THR 40 1.215 2.738 -4.625 279 H LEU 41 H LEU 41 4.792 1.116 -2.109 280 HA LEU 41 HA LEU 41 4.963 -1.553 -3.192 281 1HB LEU 41 1HB LEU 41 7.297 -0.085 -2.119 282 2HB LEU 41 2HB LEU 41 7.073 -1.715 -1.515 283 HG LEU 41 HG LEU 41 6.843 -1.470 -4.447 284 1HD1 LEU 41 1HD1 LEU 41 9.637 -1.541 -4.008 285 2HD1 LEU 41 2HD1 LEU 41 8.684 -0.309 -4.870 286 3HD1 LEU 41 3HD1 LEU 41 9.009 -0.126 -3.130 287 1HD2 LEU 41 1HD2 LEU 41 8.764 -3.352 -3.855 288 2HD2 LEU 41 2HD2 LEU 41 7.710 -3.399 -2.421 289 3HD2 LEU 41 3HD2 LEU 41 7.019 -3.658 -4.041 290 H CYS 42 H CYS 42 5.692 -2.914 -0.873 291 HA CYS 42 HA CYS 42 3.687 -1.935 1.028 292 1HB CYS 42 1HB CYS 42 4.276 -4.843 0.472 293 2HB CYS 42 2HB CYS 42 3.011 -4.183 1.489 294 H SER 43 H SER 43 4.750 -1.288 2.869 295 HA SER 43 HA SER 43 6.586 -3.074 4.077 296 1HB SER 43 1HB SER 43 7.570 -0.632 2.638 297 2HB SER 43 2HB SER 43 8.278 -0.954 4.210 298 HG SER 43 HG SER 43 9.000 -2.992 3.493 299 H TYR 44 H TYR 44 6.411 -2.826 6.301 300 HA TYR 44 HA TYR 44 5.373 -0.252 7.263 301 1HB TYR 44 1HB TYR 44 4.486 -3.151 7.632 302 2HB TYR 44 2HB TYR 44 4.227 -2.037 8.959 303 HD1 TYR 44 1HD TYR 44 2.131 -1.064 9.084 304 HD2 TYR 44 2HD TYR 44 3.692 -2.094 5.236 305 HE1 TYR 44 1HE TYR 44 -0.025 -0.274 7.991 306 HE2 TYR 44 2HE TYR 44 1.532 -1.301 4.156 307 HH TYR 44 HH TYR 44 -1.096 -1.110 5.317 308 H GLY 45 H GLY 45 5.407 -0.504 9.910 309 1HA GLY 45 1HA GLY 45 7.763 -1.913 10.833 310 2HA GLY 45 2HA GLY 45 7.934 -0.170 10.765 311 H GLU 46 H GLU 46 6.595 1.202 12.115 312 HA GLU 46 HA GLU 46 5.203 -0.307 14.187 313 1HB GLU 46 1HB GLU 46 6.969 2.156 14.519 314 2HB GLU 46 2HB GLU 46 5.956 1.505 15.791 315 1HG GLU 46 1HG GLU 46 8.134 -0.082 14.349 316 2HG GLU 46 2HG GLU 46 8.356 0.714 15.895 317 H GLY 47 H GLY 47 3.329 0.761 15.145 318 1HA GLY 47 1HA GLY 47 1.518 1.858 13.517 319 2HA GLY 47 2HA GLY 47 1.609 2.241 15.225 320 H GLY 48 H GLY 48 3.974 3.742 15.420 321 1HA GLY 48 1HA GLY 48 3.257 6.293 14.934 322 2HA GLY 48 2HA GLY 48 4.921 5.745 14.957 323 H ASN 49 H ASN 49 4.997 4.095 12.634 324 HA ASN 49 HA ASN 49 4.268 6.001 10.557 325 1HB ASN 49 1HB ASN 49 6.895 4.456 10.864 326 2HB ASN 49 2HB ASN 49 6.444 5.291 9.391 327 1HD2 ASN 49 1HD2 ASN 49 8.724 5.816 10.964 328 2HD2 ASN 49 2HD2 ASN 49 8.630 7.432 11.583 329 H GLY 50 H GLY 50 2.409 4.576 10.107 330 1HA GLY 50 1HA GLY 50 2.226 1.913 9.905 331 2HA GLY 50 2HA GLY 50 1.456 3.007 8.774 332 H PHE 51 H PHE 51 2.905 3.827 6.900 333 HA PHE 51 HA PHE 51 4.033 1.523 5.665 334 1HB PHE 51 1HB PHE 51 2.710 3.672 4.762 335 2HB PHE 51 2HB PHE 51 4.286 4.438 4.774 336 HD1 PHE 51 1HD PHE 51 4.736 4.741 2.502 337 HD2 PHE 51 2HD PHE 51 3.473 0.926 3.866 338 HE1 PHE 51 1HE PHE 51 5.224 3.770 0.239 339 HE2 PHE 51 2HE PHE 51 3.963 -0.045 1.604 340 HZ PHE 51 HZ PHE 51 4.832 1.388 -0.182 341 H GLN 52 H GLN 52 6.226 1.384 4.757 342 HA GLN 52 HA GLN 52 8.102 2.865 6.430 343 1HB GLN 52 1HB GLN 52 7.810 0.042 5.926 344 2HB GLN 52 2HB GLN 52 9.342 0.552 5.244 345 1HG GLN 52 1HG GLN 52 8.807 1.727 7.914 346 2HG GLN 52 2HG GLN 52 8.878 -0.025 7.934 347 1HE2 GLN 52 1HE2 GLN 52 10.730 1.481 9.251 348 2HE2 GLN 52 2HE2 GLN 52 12.287 1.349 8.504 349 H CYS 53 H CYS 53 8.468 4.654 5.066 350 HA CYS 53 HA CYS 53 9.019 4.183 2.289 351 1HB CYS 53 1HB CYS 53 8.927 6.659 4.007 352 2HB CYS 53 2HB CYS 53 9.480 6.698 2.345 353 HA PRO 54 HA PRO 54 13.312 3.789 3.018 354 1HB PRO 54 1HB PRO 54 14.198 3.855 0.435 355 2HB PRO 54 2HB PRO 54 13.568 2.407 1.194 356 1HG PRO 54 1HG PRO 54 12.275 4.170 -0.797 357 2HG PRO 54 2HG PRO 54 11.859 2.526 -0.351 358 1HD PRO 54 1HD PRO 54 10.496 4.920 0.449 359 2HD PRO 54 2HD PRO 54 10.152 3.287 0.988 360 H THR 55 H THR 55 15.482 4.829 2.586 361 HA THR 55 HA THR 55 15.195 7.557 3.191 362 HB THR 55 HB THR 55 17.533 5.796 2.299 363 HG1 THR 55 1HG THR 55 17.632 5.554 4.530 364 1HG2 THR 55 1HG2 THR 55 19.042 7.527 2.928 365 2HG2 THR 55 2HG2 THR 55 17.814 8.405 1.984 366 3HG2 THR 55 3HG2 THR 55 17.770 8.452 3.763 367 H GLY 56 H GLY 56 14.991 9.359 2.001 368 1HA GLY 56 1HA GLY 56 15.410 10.691 0.143 369 2HA GLY 56 2HA GLY 56 15.763 9.271 -0.821 370 H TYR 57 H TYR 57 13.039 8.503 1.008 371 HA TYR 57 HA TYR 57 11.219 9.586 -1.030 372 1HB TYR 57 1HB TYR 57 11.609 6.796 0.189 373 2HB TYR 57 2HB TYR 57 10.074 7.233 -0.534 374 HD1 TYR 57 1HD TYR 57 9.730 6.925 -2.832 375 HD2 TYR 57 2HD TYR 57 13.730 7.056 -1.317 376 HE1 TYR 57 1HE TYR 57 10.625 6.260 -5.117 377 HE2 TYR 57 2HE TYR 57 14.611 6.391 -3.608 378 HH TYR 57 HH TYR 57 13.755 6.644 -6.007 379 H ARG 58 H ARG 58 9.135 10.161 -0.309 380 HA ARG 58 HA ARG 58 8.608 9.692 2.491 381 1HB ARG 58 1HB ARG 58 7.899 12.127 2.749 382 2HB ARG 58 2HB ARG 58 9.626 11.896 2.560 383 1HG ARG 58 1HG ARG 58 9.455 12.436 0.137 384 2HG ARG 58 2HG ARG 58 7.717 12.609 0.283 385 1HD ARG 58 1HD ARG 58 9.742 14.300 1.831 386 2HD ARG 58 2HD ARG 58 8.969 14.811 0.343 387 HE ARG 58 HE ARG 58 6.796 14.166 1.866 388 1HH1 ARG 58 1HH1 ARG 58 9.661 16.116 2.607 389 2HH1 ARG 58 2HH1 ARG 58 8.830 17.131 3.739 390 1HH2 ARG 58 1HH2 ARG 58 6.502 16.753 4.165 391 H GLN 59 H GLN 59 6.450 9.141 2.794 392 HA GLN 59 HA GLN 59 4.803 8.465 0.863 393 1HB GLN 59 1HB GLN 59 2.917 8.776 2.467 394 2HB GLN 59 2HB GLN 59 4.317 8.036 3.218 395 1HG GLN 59 1HG GLN 59 5.011 10.235 4.148 396 2HG GLN 59 2HG GLN 59 3.662 11.018 3.350 397 1HE2 GLN 59 1HE2 GLN 59 1.481 9.940 3.788 398 2HE2 GLN 59 2HE2 GLN 59 1.124 9.544 5.436 399 H CYS 60 H CYS 60 3.437 9.377 -0.662 400 HA CYS 60 HA CYS 60 3.698 12.194 -1.053 401 1HB CYS 60 1HB CYS 60 3.217 9.971 -2.680 402 2HB CYS 60 2HB CYS 60 1.725 10.888 -2.737 Start of MODEL 11 1 1H ASP 1 1H ASP 1 -24.872 -6.519 -0.728 2 HA ASP 1 HA ASP 1 -22.971 -8.004 -0.122 3 1HB ASP 1 1HB ASP 1 -24.836 -8.165 -2.375 4 2HB ASP 1 2HB ASP 1 -23.371 -9.057 -2.735 5 H ARG 2 H ARG 2 -22.933 -6.351 -3.366 6 HA ARG 2 HA ARG 2 -20.715 -7.240 -4.453 7 1HB ARG 2 1HB ARG 2 -20.360 -4.576 -4.994 8 2HB ARG 2 2HB ARG 2 -21.576 -5.564 -5.780 9 1HG ARG 2 1HG ARG 2 -23.328 -4.650 -4.550 10 2HG ARG 2 2HG ARG 2 -22.337 -4.370 -3.132 11 1HD ARG 2 1HD ARG 2 -21.196 -2.698 -5.103 12 2HD ARG 2 2HD ARG 2 -22.921 -2.560 -5.378 13 HE ARG 2 HE ARG 2 -22.370 -2.381 -2.554 14 1HH1 ARG 2 1HH1 ARG 2 -22.099 -0.497 -5.542 15 2HH1 ARG 2 2HH1 ARG 2 -22.185 1.032 -4.732 16 1HH2 ARG 2 1HH2 ARG 2 -22.412 1.086 -2.347 17 H CYS 3 H CYS 3 -18.421 -6.313 -4.584 18 HA CYS 3 HA CYS 3 -17.590 -5.146 -2.041 19 1HB CYS 3 1HB CYS 3 -16.033 -6.727 -1.552 20 2HB CYS 3 2HB CYS 3 -17.281 -7.732 -2.261 21 H ARG 4 H ARG 4 -15.308 -4.182 -2.277 22 HA ARG 4 HA ARG 4 -15.023 -3.252 -5.019 23 1HB ARG 4 1HB ARG 4 -14.674 -1.929 -2.333 24 2HB ARG 4 2HB ARG 4 -13.600 -1.408 -3.616 25 1HG ARG 4 1HG ARG 4 -15.637 -1.023 -5.086 26 2HG ARG 4 2HG ARG 4 -16.654 -1.408 -3.711 27 1HD ARG 4 1HD ARG 4 -14.735 0.533 -2.807 28 2HD ARG 4 2HD ARG 4 -15.350 1.106 -4.345 29 HE ARG 4 HE ARG 4 -17.515 0.156 -2.670 30 1HH1 ARG 4 1HH1 ARG 4 -15.334 2.911 -3.128 31 2HH1 ARG 4 2HH1 ARG 4 -16.421 4.050 -2.407 32 1HH2 ARG 4 1HH2 ARG 4 -18.541 3.291 -1.586 33 H TYR 5 H TYR 5 -13.514 -4.745 -5.853 34 HA TYR 5 HA TYR 5 -11.499 -6.006 -4.539 35 1HB TYR 5 1HB TYR 5 -11.887 -4.826 -7.340 36 2HB TYR 5 2HB TYR 5 -10.414 -5.703 -6.979 37 HD1 TYR 5 1HD TYR 5 -14.001 -5.976 -7.620 38 HD2 TYR 5 2HD TYR 5 -10.486 -8.133 -6.485 39 HE1 TYR 5 1HE TYR 5 -15.174 -8.172 -8.136 40 HE2 TYR 5 2HE TYR 5 -11.670 -10.322 -7.004 41 HH TYR 5 HH TYR 5 -14.292 -10.558 -8.844 42 H THR 6 H THR 6 -10.041 -5.093 -3.154 43 HA THR 6 HA THR 6 -8.714 -2.630 -4.072 44 HB THR 6 HB THR 6 -8.752 -3.676 -1.218 45 HG1 THR 6 1HG THR 6 -10.953 -3.570 -2.314 46 1HG2 THR 6 1HG2 THR 6 -7.465 -1.676 -1.348 47 2HG2 THR 6 2HG2 THR 6 -8.499 -0.992 -2.626 48 3HG2 THR 6 3HG2 THR 6 -9.089 -1.067 -0.949 49 H LEU 7 H LEU 7 -6.392 -2.405 -3.327 50 HA LEU 7 HA LEU 7 -5.073 -4.929 -3.959 51 1HB LEU 7 1HB LEU 7 -4.367 -2.035 -4.218 52 2HB LEU 7 2HB LEU 7 -3.081 -3.219 -4.097 53 HG LEU 7 HG LEU 7 -5.037 -4.066 -6.059 54 1HD1 LEU 7 1HD1 LEU 7 -4.285 -2.176 -7.701 55 2HD1 LEU 7 2HD1 LEU 7 -5.671 -1.922 -6.615 56 3HD1 LEU 7 3HD1 LEU 7 -4.084 -1.226 -6.209 57 1HD2 LEU 7 1HD2 LEU 7 -2.364 -4.391 -5.603 58 2HD2 LEU 7 2HD2 LEU 7 -3.205 -4.805 -7.117 59 3HD2 LEU 7 3HD2 LEU 7 -2.361 -3.245 -6.966 60 H CYS 8 H CYS 8 -4.624 -6.166 -2.210 61 HA CYS 8 HA CYS 8 -3.771 -4.745 0.202 62 1HB CYS 8 1HB CYS 8 -4.719 -7.605 0.073 63 2HB CYS 8 2HB CYS 8 -4.510 -6.595 1.490 64 H CYS 9 H CYS 9 -1.935 -5.767 1.410 65 HA CYS 9 HA CYS 9 -0.061 -6.930 -0.491 66 1HB CYS 9 1HB CYS 9 0.191 -5.286 1.978 67 2HB CYS 9 2HB CYS 9 1.467 -6.442 1.653 68 H ASP 10 H ASP 10 1.348 -8.755 0.351 69 HA ASP 10 HA ASP 10 -0.340 -10.590 1.770 70 1HB ASP 10 1HB ASP 10 1.065 -12.286 0.922 71 2HB ASP 10 2HB ASP 10 1.100 -11.080 -0.348 72 H GLY 11 H GLY 11 1.312 -8.140 2.913 73 1HA GLY 11 1HA GLY 11 2.084 -7.777 5.033 74 2HA GLY 11 2HA GLY 11 2.194 -9.504 5.309 75 H ALA 12 H ALA 12 3.654 -9.516 2.458 76 HA ALA 12 HA ALA 12 6.268 -8.748 3.571 77 1HB ALA 12 1HB ALA 12 7.221 -10.641 2.457 78 2HB ALA 12 2HB ALA 12 5.770 -11.236 3.300 79 3HB ALA 12 3HB ALA 12 5.723 -10.945 1.545 80 H LEU 13 H LEU 13 6.942 -9.741 0.554 81 HA LEU 13 HA LEU 13 6.837 -7.024 -0.456 82 1HB LEU 13 1HB LEU 13 8.770 -7.520 -1.384 83 2HB LEU 13 2HB LEU 13 8.725 -9.042 -0.520 84 HG LEU 13 HG LEU 13 9.245 -9.442 -2.836 85 1HD1 LEU 13 1HD1 LEU 13 6.496 -10.434 -3.001 86 2HD1 LEU 13 2HD1 LEU 13 8.039 -11.318 -2.924 87 3HD1 LEU 13 3HD1 LEU 13 7.267 -10.743 -1.427 88 1HD2 LEU 13 1HD2 LEU 13 6.733 -8.731 -4.086 89 2HD2 LEU 13 2HD2 LEU 13 7.511 -7.308 -3.354 90 3HD2 LEU 13 3HD2 LEU 13 8.397 -8.298 -4.540 91 H LYS 14 H LYS 14 5.243 -10.138 -0.798 92 HA LYS 14 HA LYS 14 4.269 -9.791 -3.404 93 1HB LYS 14 1HB LYS 14 4.085 -11.705 -1.301 94 2HB LYS 14 2HB LYS 14 2.449 -11.313 -1.790 95 1HG LYS 14 1HG LYS 14 2.876 -11.903 -4.088 96 2HG LYS 14 2HG LYS 14 4.612 -11.913 -3.847 97 1HD LYS 14 1HD LYS 14 3.109 -13.774 -2.066 98 2HD LYS 14 2HD LYS 14 3.004 -14.161 -3.773 99 1HE LYS 14 1HE LYS 14 5.745 -13.488 -3.262 100 2HE LYS 14 2HE LYS 14 5.243 -14.545 -1.958 101 1HZ LYS 14 1HZ LYS 14 4.261 -15.529 -4.435 102 2HZ LYS 14 2HZ LYS 14 5.872 -15.313 -4.542 103 H ALA 15 H ALA 15 2.050 -9.257 -4.078 104 HA ALA 15 HA ALA 15 0.303 -7.954 -2.275 105 1HB ALA 15 1HB ALA 15 1.253 -5.911 -2.265 106 2HB ALA 15 2HB ALA 15 2.413 -6.366 -3.537 107 3HB ALA 15 3HB ALA 15 0.788 -5.788 -3.979 108 H VAL 16 H VAL 16 -1.737 -8.074 -3.134 109 HA VAL 16 HA VAL 16 -2.035 -8.074 -6.013 110 HB VAL 16 HB VAL 16 -1.549 -10.453 -5.093 111 1HG1 VAL 16 1HG1 VAL 16 -3.049 -11.502 -3.783 112 2HG1 VAL 16 2HG1 VAL 16 -3.624 -9.863 -3.390 113 3HG1 VAL 16 3HG1 VAL 16 -4.439 -10.814 -4.655 114 1HG2 VAL 16 1HG2 VAL 16 -2.427 -11.200 -7.030 115 2HG2 VAL 16 2HG2 VAL 16 -4.057 -10.607 -6.637 116 3HG2 VAL 16 3HG2 VAL 16 -2.844 -9.493 -7.311 117 H SER 17 H SER 17 -4.680 -8.710 -6.254 118 HA SER 17 HA SER 17 -5.861 -6.659 -4.572 119 1HB SER 17 1HB SER 17 -7.202 -7.864 -7.004 120 2HB SER 17 2HB SER 17 -7.431 -6.274 -6.305 121 HG SER 17 HG SER 17 -4.939 -6.129 -6.922 122 H ALA 18 H ALA 18 -7.599 -7.119 -3.192 123 HA ALA 18 HA ALA 18 -8.559 -9.898 -3.252 124 1HB ALA 18 1HB ALA 18 -7.732 -8.131 -0.929 125 2HB ALA 18 2HB ALA 18 -8.787 -9.548 -0.713 126 3HB ALA 18 3HB ALA 18 -7.139 -9.755 -1.352 127 H CYS 19 H CYS 19 -10.783 -10.156 -2.340 128 HA CYS 19 HA CYS 19 -12.376 -7.878 -3.168 129 1HB CYS 19 1HB CYS 19 -12.990 -9.945 -4.183 130 2HB CYS 19 2HB CYS 19 -13.039 -10.775 -2.641 131 H LEU 20 H LEU 20 -11.994 -6.493 -1.311 132 HA LEU 20 HA LEU 20 -13.173 -7.542 1.168 133 1HB LEU 20 1HB LEU 20 -11.238 -7.060 2.105 134 2HB LEU 20 2HB LEU 20 -10.639 -6.296 0.646 135 HG LEU 20 HG LEU 20 -12.469 -4.823 2.538 136 1HD1 LEU 20 1HD1 LEU 20 -10.085 -3.831 3.253 137 2HD1 LEU 20 2HD1 LEU 20 -10.873 -5.179 4.106 138 3HD1 LEU 20 3HD1 LEU 20 -9.601 -5.509 2.905 139 1HD2 LEU 20 1HD2 LEU 20 -12.313 -3.287 0.938 140 2HD2 LEU 20 2HD2 LEU 20 -10.606 -3.089 1.398 141 3HD2 LEU 20 3HD2 LEU 20 -11.049 -4.203 0.083 142 H HIS 21 H HIS 21 -14.377 -5.935 2.476 143 HA HIS 21 HA HIS 21 -15.710 -4.059 0.676 144 1HB HIS 21 1HB HIS 21 -16.685 -5.181 3.316 145 2HB HIS 21 2HB HIS 21 -17.600 -4.181 2.204 146 HD1 HIS 21 1HD HIS 21 -16.579 -7.697 2.855 147 HD2 HIS 21 2HD HIS 21 -18.369 -5.513 -0.247 148 HE1 HIS 21 1HE HIS 21 -17.609 -9.414 1.273 149 H GLU 22 H GLU 22 -16.762 -2.155 2.196 150 HA GLU 22 HA GLU 22 -14.505 -0.683 2.974 151 1HB GLU 22 1HB GLU 22 -17.154 -0.127 2.246 152 2HB GLU 22 2HB GLU 22 -17.091 0.361 3.928 153 1HG GLU 22 1HG GLU 22 -16.055 2.271 3.289 154 2HG GLU 22 2HG GLU 22 -14.666 1.318 2.805 155 H SER 23 H SER 23 -16.804 -2.776 4.648 156 HA SER 23 HA SER 23 -16.219 -1.703 7.211 157 1HB SER 23 1HB SER 23 -18.094 -3.572 6.057 158 2HB SER 23 2HB SER 23 -17.295 -4.362 7.401 159 HG SER 23 HG SER 23 -18.355 -3.115 8.784 160 H GLU 24 H GLU 24 -14.302 -3.302 5.073 161 HA GLU 24 HA GLU 24 -12.940 -4.717 7.228 162 1HB GLU 24 1HB GLU 24 -14.100 -6.154 5.376 163 2HB GLU 24 2HB GLU 24 -12.802 -5.611 4.331 164 1HG GLU 24 1HG GLU 24 -12.248 -7.786 5.400 165 2HG GLU 24 2HG GLU 24 -11.110 -6.539 5.870 166 H SER 25 H SER 25 -10.542 -4.839 6.966 167 HA SER 25 HA SER 25 -9.488 -2.968 5.037 168 1HB SER 25 1HB SER 25 -9.874 -2.271 7.781 169 2HB SER 25 2HB SER 25 -8.152 -2.523 7.579 170 HG SER 25 HG SER 25 -9.572 -0.969 5.631 171 H CYS 26 H CYS 26 -7.660 -3.846 4.117 172 HA CYS 26 HA CYS 26 -6.417 -6.047 5.592 173 1HB CYS 26 1HB CYS 26 -5.490 -6.546 3.205 174 2HB CYS 26 2HB CYS 26 -7.102 -7.050 3.668 175 H LEU 27 H LEU 27 -3.940 -6.244 4.616 176 HA LEU 27 HA LEU 27 -2.676 -3.867 5.536 177 1HB LEU 27 1HB LEU 27 -2.029 -6.453 5.612 178 2HB LEU 27 2HB LEU 27 -1.165 -6.022 4.149 179 HG LEU 27 HG LEU 27 0.060 -4.268 5.385 180 1HD1 LEU 27 1HD1 LEU 27 -0.428 -5.094 8.076 181 2HD1 LEU 27 2HD1 LEU 27 -0.642 -3.488 7.336 182 3HD1 LEU 27 3HD1 LEU 27 -1.981 -4.661 7.322 183 1HD2 LEU 27 1HD2 LEU 27 0.289 -7.128 5.748 184 2HD2 LEU 27 2HD2 LEU 27 1.559 -5.899 5.538 185 3HD2 LEU 27 3HD2 LEU 27 0.924 -6.253 7.163 186 H VAL 28 H VAL 28 -3.567 -2.284 4.032 187 HA VAL 28 HA VAL 28 -3.113 -2.528 1.257 188 HB VAL 28 HB VAL 28 -3.763 -0.210 3.078 189 1HG1 VAL 28 1HG1 VAL 28 -3.985 1.239 1.281 190 2HG1 VAL 28 2HG1 VAL 28 -2.527 0.321 0.833 191 3HG1 VAL 28 3HG1 VAL 28 -4.094 -0.080 0.092 192 1HG2 VAL 28 1HG2 VAL 28 -5.958 -0.649 2.693 193 2HG2 VAL 28 2HG2 VAL 28 -5.669 -1.212 1.029 194 3HG2 VAL 28 3HG2 VAL 28 -5.344 -2.293 2.405 195 HA PRO 29 HA PRO 29 1.038 -1.323 1.088 196 1HB PRO 29 1HB PRO 29 1.240 -0.637 -1.549 197 2HB PRO 29 2HB PRO 29 1.303 -2.294 -0.982 198 1HG PRO 29 1HG PRO 29 -0.908 -0.884 -2.346 199 2HG PRO 29 2HG PRO 29 -0.657 -2.608 -2.157 200 1HD PRO 29 1HD PRO 29 -2.501 -0.973 -0.690 201 2HD PRO 29 2HD PRO 29 -2.165 -2.673 -0.423 202 H GLY 30 H GLY 30 2.397 0.570 -0.298 203 1HA GLY 30 1HA GLY 30 0.996 3.084 0.221 204 2HA GLY 30 2HA GLY 30 2.441 2.758 1.158 205 H ASP 31 H ASP 31 1.997 4.897 -0.849 206 HA ASP 31 HA ASP 31 3.806 4.007 -2.941 207 1HB ASP 31 1HB ASP 31 1.931 6.398 -2.691 208 2HB ASP 31 2HB ASP 31 3.115 6.277 -3.978 209 H CYS 32 H CYS 32 5.941 4.746 -2.843 210 HA CYS 32 HA CYS 32 6.498 6.836 -0.888 211 1HB CYS 32 1HB CYS 32 8.004 4.496 -1.931 212 2HB CYS 32 2HB CYS 32 8.938 5.926 -1.542 213 H CYS 33 H CYS 33 6.750 8.877 -1.726 214 HA CYS 33 HA CYS 33 7.342 9.102 -4.556 215 1HB CYS 33 1HB CYS 33 6.039 10.801 -2.517 216 2HB CYS 33 2HB CYS 33 7.001 11.656 -3.705 217 H ARG 34 H ARG 34 9.410 9.562 -5.247 218 HA ARG 34 HA ARG 34 11.200 10.647 -3.223 219 1HB ARG 34 1HB ARG 34 11.762 8.291 -3.821 220 2HB ARG 34 2HB ARG 34 11.850 8.728 -5.517 221 1HG ARG 34 1HG ARG 34 13.788 10.137 -5.155 222 2HG ARG 34 2HG ARG 34 13.590 10.084 -3.414 223 1HD ARG 34 1HD ARG 34 13.827 7.387 -4.615 224 2HD ARG 34 2HD ARG 34 15.232 8.390 -4.924 225 HE ARG 34 HE ARG 34 14.259 8.384 -2.129 226 1HH1 ARG 34 1HH1 ARG 34 16.554 7.044 -4.473 227 2HH1 ARG 34 2HH1 ARG 34 17.647 6.469 -3.260 228 1HH2 ARG 34 1HH2 ARG 34 17.128 6.821 -0.947 229 H GLY 35 H GLY 35 10.879 12.852 -3.884 230 1HA GLY 35 1HA GLY 35 11.347 14.704 -5.069 231 2HA GLY 35 2HA GLY 35 12.498 13.763 -5.998 232 H LYS 36 H LYS 36 11.745 12.541 -7.903 233 HA LYS 36 HA LYS 36 9.108 13.393 -8.848 234 1HB LYS 36 1HB LYS 36 9.964 14.027 -10.989 235 2HB LYS 36 2HB LYS 36 10.859 14.911 -9.769 236 1HG LYS 36 1HG LYS 36 12.749 13.343 -9.938 237 2HG LYS 36 2HG LYS 36 11.844 12.306 -11.022 238 1HD LYS 36 1HD LYS 36 12.614 13.504 -12.782 239 2HD LYS 36 2HD LYS 36 11.744 14.905 -12.189 240 1HE LYS 36 1HE LYS 36 13.642 15.894 -11.355 241 2HE LYS 36 2HE LYS 36 14.271 14.387 -10.720 242 1HZ LYS 36 1HZ LYS 36 15.638 14.353 -12.485 243 2HZ LYS 36 2HZ LYS 36 14.371 14.161 -13.488 244 H SER 37 H SER 37 10.213 10.905 -7.581 245 HA SER 37 HA SER 37 9.485 9.161 -9.786 246 1HB SER 37 1HB SER 37 11.985 9.075 -8.125 247 2HB SER 37 2HB SER 37 11.234 7.537 -8.501 248 HG SER 37 HG SER 37 12.824 9.000 -10.084 249 H ARG 38 H ARG 38 7.507 8.408 -9.078 250 HA ARG 38 HA ARG 38 7.165 7.985 -6.260 251 1HB ARG 38 1HB ARG 38 4.774 7.572 -6.872 252 2HB ARG 38 2HB ARG 38 5.352 9.096 -7.516 253 1HG ARG 38 1HG ARG 38 4.601 8.375 -9.538 254 2HG ARG 38 2HG ARG 38 5.993 7.309 -9.562 255 1HD ARG 38 1HD ARG 38 3.759 6.146 -9.957 256 2HD ARG 38 2HD ARG 38 4.721 5.457 -8.664 257 HE ARG 38 HE ARG 38 3.097 6.135 -7.117 258 1HH1 ARG 38 1HH1 ARG 38 2.591 7.892 -10.153 259 2HH1 ARG 38 2HH1 ARG 38 1.090 8.591 -9.642 260 1HH2 ARG 38 1HH2 ARG 38 0.243 8.086 -7.458 261 H LEU 39 H LEU 39 6.465 5.903 -5.354 262 HA LEU 39 HA LEU 39 6.729 3.617 -7.142 263 1HB LEU 39 1HB LEU 39 8.424 4.135 -4.706 264 2HB LEU 39 2HB LEU 39 8.148 2.519 -5.327 265 HG LEU 39 HG LEU 39 9.063 4.442 -7.365 266 1HD1 LEU 39 1HD1 LEU 39 10.496 4.206 -4.807 267 2HD1 LEU 39 2HD1 LEU 39 11.493 3.885 -6.247 268 3HD1 LEU 39 3HD1 LEU 39 10.621 5.429 -6.095 269 1HD2 LEU 39 1HD2 LEU 39 10.790 2.377 -7.453 270 2HD2 LEU 39 2HD2 LEU 39 9.422 1.592 -6.629 271 3HD2 LEU 39 3HD2 LEU 39 9.183 2.354 -8.220 272 H THR 40 H THR 40 5.927 1.574 -6.042 273 HA THR 40 HA THR 40 4.129 2.127 -3.809 274 HB THR 40 HB THR 40 3.341 1.190 -6.605 275 HG1 THR 40 1HG THR 40 2.040 3.062 -6.341 276 1HG2 THR 40 1HG2 THR 40 1.115 0.682 -5.710 277 2HG2 THR 40 2HG2 THR 40 2.295 -0.318 -4.831 278 3HG2 THR 40 3HG2 THR 40 1.626 1.145 -4.069 279 H LEU 41 H LEU 41 4.886 0.787 -2.287 280 HA LEU 41 HA LEU 41 4.897 -2.026 -2.918 281 1HB LEU 41 1HB LEU 41 7.079 -2.476 -2.784 282 2HB LEU 41 2HB LEU 41 7.238 -0.828 -3.356 283 HG LEU 41 HG LEU 41 7.141 -0.527 -0.596 284 1HD1 LEU 41 1HD1 LEU 41 8.766 -2.995 -1.268 285 2HD1 LEU 41 2HD1 LEU 41 8.855 -2.091 0.263 286 3HD1 LEU 41 3HD1 LEU 41 7.342 -2.902 -0.204 287 1HD2 LEU 41 1HD2 LEU 41 9.730 -0.304 -0.949 288 2HD2 LEU 41 2HD2 LEU 41 9.308 -0.498 -2.668 289 3HD2 LEU 41 3HD2 LEU 41 8.607 0.839 -1.725 290 H CYS 42 H CYS 42 5.518 -3.262 -0.748 291 HA CYS 42 HA CYS 42 3.834 -2.031 1.248 292 1HB CYS 42 1HB CYS 42 5.114 -4.720 1.571 293 2HB CYS 42 2HB CYS 42 3.583 -4.132 2.188 294 H SER 43 H SER 43 4.772 -0.730 2.784 295 HA SER 43 HA SER 43 7.108 -1.648 4.107 296 1HB SER 43 1HB SER 43 8.021 -0.481 2.040 297 2HB SER 43 2HB SER 43 7.292 1.005 2.613 298 HG SER 43 HG SER 43 9.067 -0.500 4.309 299 H TYR 44 H TYR 44 5.929 -1.522 6.048 300 HA TYR 44 HA TYR 44 4.715 1.074 6.669 301 1HB TYR 44 1HB TYR 44 4.569 -1.597 8.175 302 2HB TYR 44 2HB TYR 44 3.413 -0.283 8.256 303 HD1 TYR 44 1HD TYR 44 1.590 -0.138 6.717 304 HD2 TYR 44 2HD TYR 44 4.697 -3.012 6.086 305 HE1 TYR 44 1HE TYR 44 0.188 -1.272 4.925 306 HE2 TYR 44 2HE TYR 44 3.284 -4.136 4.297 307 HH TYR 44 HH TYR 44 -0.003 -2.994 3.614 308 H GLY 45 H GLY 45 4.840 1.661 9.101 309 1HA GLY 45 1HA GLY 45 7.650 1.688 9.818 310 2HA GLY 45 2HA GLY 45 6.342 2.589 10.560 311 H GLU 46 H GLU 46 5.610 -0.774 10.059 312 HA GLU 46 HA GLU 46 5.192 -2.388 11.457 313 1HB GLU 46 1HB GLU 46 7.408 -2.186 13.310 314 2HB GLU 46 2HB GLU 46 7.151 -3.354 12.030 315 1HG GLU 46 1HG GLU 46 7.972 -1.500 10.397 316 2HG GLU 46 2HG GLU 46 8.520 -0.643 11.824 317 H GLY 47 H GLY 47 3.441 -2.167 12.784 318 1HA GLY 47 1HA GLY 47 2.105 -1.173 14.356 319 2HA GLY 47 2HA GLY 47 3.348 -1.844 15.394 320 H GLY 48 H GLY 48 3.505 0.939 13.072 321 1HA GLY 48 1HA GLY 48 4.527 2.598 15.275 322 2HA GLY 48 2HA GLY 48 4.754 2.873 13.560 323 H ASN 49 H ASN 49 3.402 4.292 12.510 324 HA ASN 49 HA ASN 49 0.767 4.683 13.584 325 1HB ASN 49 1HB ASN 49 2.443 6.354 14.698 326 2HB ASN 49 2HB ASN 49 2.569 7.105 13.120 327 1HD2 ASN 49 1HD2 ASN 49 1.053 7.235 16.007 328 2HD2 ASN 49 2HD2 ASN 49 -0.415 8.056 15.594 329 H GLY 50 H GLY 50 0.540 3.551 11.380 330 1HA GLY 50 1HA GLY 50 -0.402 3.945 9.309 331 2HA GLY 50 2HA GLY 50 0.280 5.560 9.281 332 H PHE 51 H PHE 51 1.863 5.848 7.781 333 HA PHE 51 HA PHE 51 3.470 3.489 7.101 334 1HB PHE 51 1HB PHE 51 1.841 5.078 5.524 335 2HB PHE 51 2HB PHE 51 3.338 5.980 5.394 336 HD1 PHE 51 1HD PHE 51 1.951 2.553 4.962 337 HD2 PHE 51 2HD PHE 51 4.950 5.339 3.838 338 HE1 PHE 51 1HE PHE 51 2.743 0.980 3.174 339 HE2 PHE 51 2HE PHE 51 5.742 3.765 2.051 340 HZ PHE 51 HZ PHE 51 4.628 1.604 1.740 341 H GLN 52 H GLN 52 5.755 3.985 6.381 342 HA GLN 52 HA GLN 52 6.788 6.470 7.374 343 1HB GLN 52 1HB GLN 52 6.696 4.711 9.306 344 2HB GLN 52 2HB GLN 52 8.008 3.913 8.463 345 1HG GLN 52 1HG GLN 52 8.371 6.852 8.801 346 2HG GLN 52 2HG GLN 52 8.332 5.950 10.304 347 1HE2 GLN 52 1HE2 GLN 52 10.521 7.351 8.968 348 2HE2 GLN 52 2HE2 GLN 52 11.801 6.208 8.735 349 H CYS 53 H CYS 53 7.078 6.577 4.976 350 HA CYS 53 HA CYS 53 8.443 4.816 3.450 351 1HB CYS 53 1HB CYS 53 8.019 7.740 3.396 352 2HB CYS 53 2HB CYS 53 9.372 7.164 2.444 353 HA PRO 54 HA PRO 54 12.527 4.880 4.965 354 1HB PRO 54 1HB PRO 54 13.950 4.097 2.767 355 2HB PRO 54 2HB PRO 54 13.081 2.976 3.795 356 1HG PRO 54 1HG PRO 54 12.358 3.963 1.104 357 2HG PRO 54 2HG PRO 54 11.754 2.556 1.956 358 1HD PRO 54 1HD PRO 54 10.403 5.062 1.608 359 2HD PRO 54 2HD PRO 54 9.850 3.697 2.557 360 H THR 55 H THR 55 14.895 5.634 4.450 361 HA THR 55 HA THR 55 14.714 8.427 4.289 362 HB THR 55 HB THR 55 16.498 6.873 5.383 363 HG1 THR 55 1HG THR 55 16.833 9.147 5.276 364 1HG2 THR 55 1HG2 THR 55 18.335 6.156 4.070 365 2HG2 THR 55 2HG2 THR 55 16.960 5.772 3.006 366 3HG2 THR 55 3HG2 THR 55 17.918 7.245 2.726 367 H GLY 56 H GLY 56 14.868 9.903 2.679 368 1HA GLY 56 1HA GLY 56 15.358 10.697 0.585 369 2HA GLY 56 2HA GLY 56 15.812 9.088 0.059 370 H TYR 57 H TYR 57 12.936 8.612 1.677 371 HA TYR 57 HA TYR 57 11.351 9.114 -0.752 372 1HB TYR 57 1HB TYR 57 11.597 6.780 1.226 373 2HB TYR 57 2HB TYR 57 10.140 6.961 0.268 374 HD1 TYR 57 1HD TYR 57 10.495 7.152 -2.337 375 HD2 TYR 57 2HD TYR 57 13.386 5.543 0.375 376 HE1 TYR 57 1HE TYR 57 11.607 5.902 -4.253 377 HE2 TYR 57 2HE TYR 57 14.488 4.300 -1.548 378 HH TYR 57 HH TYR 57 14.493 3.908 -3.667 379 H ARG 58 H ARG 58 9.063 9.531 -0.409 380 HA ARG 58 HA ARG 58 8.279 9.953 2.316 381 1HB ARG 58 1HB ARG 58 7.771 12.292 2.105 382 2HB ARG 58 2HB ARG 58 9.389 12.118 1.455 383 1HG ARG 58 1HG ARG 58 8.084 11.747 -0.851 384 2HG ARG 58 2HG ARG 58 6.790 12.586 -0.021 385 1HD ARG 58 1HD ARG 58 9.396 13.922 0.359 386 2HD ARG 58 2HD ARG 58 8.966 13.787 -1.335 387 HE ARG 58 HE ARG 58 6.669 14.669 0.151 388 1HH1 ARG 58 1HH1 ARG 58 9.807 15.852 -0.994 389 2HH1 ARG 58 2HH1 ARG 58 9.300 17.507 -1.055 390 1HH2 ARG 58 1HH2 ARG 58 7.058 18.072 -0.425 391 H GLN 59 H GLN 59 6.141 9.318 2.527 392 HA GLN 59 HA GLN 59 4.736 8.057 0.721 393 1HB GLN 59 1HB GLN 59 2.671 8.696 1.963 394 2HB GLN 59 2HB GLN 59 3.994 8.294 3.037 395 1HG GLN 59 1HG GLN 59 4.529 10.810 3.137 396 2HG GLN 59 2HG GLN 59 3.018 11.086 2.293 397 1HE2 GLN 59 1HE2 GLN 59 4.393 9.388 5.094 398 2HE2 GLN 59 2HE2 GLN 59 3.056 9.615 6.173 399 H CYS 60 H CYS 60 3.222 8.445 -0.967 400 HA CYS 60 HA CYS 60 3.635 10.934 -2.306 401 1HB CYS 60 1HB CYS 60 2.180 8.388 -2.951 402 2HB CYS 60 2HB CYS 60 1.902 9.826 -3.911 Start of MODEL 12 1 1H ASP 1 1H ASP 1 -24.512 -3.835 -1.424 2 HA ASP 1 HA ASP 1 -24.242 -5.796 -0.345 3 1HB ASP 1 1HB ASP 1 -25.096 -7.338 -2.824 4 2HB ASP 1 2HB ASP 1 -24.984 -7.934 -1.180 5 H ARG 2 H ARG 2 -23.131 -8.193 -1.713 6 HA ARG 2 HA ARG 2 -21.267 -8.920 -2.528 7 1HB ARG 2 1HB ARG 2 -20.957 -6.525 -4.362 8 2HB ARG 2 2HB ARG 2 -20.602 -8.208 -4.697 9 1HG ARG 2 1HG ARG 2 -23.430 -7.159 -4.224 10 2HG ARG 2 2HG ARG 2 -22.712 -7.295 -5.815 11 1HD ARG 2 1HD ARG 2 -22.535 -9.700 -5.649 12 2HD ARG 2 2HD ARG 2 -22.841 -9.680 -3.923 13 HE ARG 2 HE ARG 2 -25.094 -8.479 -5.139 14 1HH1 ARG 2 1HH1 ARG 2 -23.509 -11.648 -5.143 15 2HH1 ARG 2 2HH1 ARG 2 -24.972 -12.518 -5.464 16 1HH2 ARG 2 1HH2 ARG 2 -27.027 -11.309 -5.707 17 H CYS 3 H CYS 3 -18.833 -8.542 -2.666 18 HA CYS 3 HA CYS 3 -18.122 -6.505 -0.726 19 1HB CYS 3 1HB CYS 3 -15.891 -7.715 -0.785 20 2HB CYS 3 2HB CYS 3 -17.257 -8.565 -0.093 21 H ARG 4 H ARG 4 -15.743 -5.552 -1.249 22 HA ARG 4 HA ARG 4 -16.072 -4.308 -3.808 23 1HB ARG 4 1HB ARG 4 -13.852 -3.794 -1.778 24 2HB ARG 4 2HB ARG 4 -14.415 -2.706 -3.031 25 1HG ARG 4 1HG ARG 4 -16.390 -3.666 -0.953 26 2HG ARG 4 2HG ARG 4 -15.234 -2.428 -0.503 27 1HD ARG 4 1HD ARG 4 -17.207 -2.277 -2.834 28 2HD ARG 4 2HD ARG 4 -17.327 -1.393 -1.325 29 HE ARG 4 HE ARG 4 -14.787 -0.766 -2.378 30 1HH1 ARG 4 1HH1 ARG 4 -18.164 -0.362 -3.373 31 2HH1 ARG 4 2HH1 ARG 4 -17.850 1.069 -4.298 32 1HH2 ARG 4 1HH2 ARG 4 -15.614 1.923 -4.415 33 H TYR 5 H TYR 5 -12.975 -3.785 -3.709 34 HA TYR 5 HA TYR 5 -11.653 -6.220 -4.033 35 1HB TYR 5 1HB TYR 5 -13.480 -5.731 -6.074 36 2HB TYR 5 2HB TYR 5 -12.085 -4.882 -6.711 37 HD1 TYR 5 1HD TYR 5 -11.100 -6.137 -8.392 38 HD2 TYR 5 2HD TYR 5 -12.452 -8.131 -4.857 39 HE1 TYR 5 1HE TYR 5 -10.167 -8.335 -9.266 40 HE2 TYR 5 2HE TYR 5 -11.515 -10.323 -5.743 41 HH TYR 5 HH TYR 5 -9.363 -10.699 -7.700 42 H THR 6 H THR 6 -9.664 -5.548 -3.412 43 HA THR 6 HA THR 6 -8.497 -3.289 -4.847 44 HB THR 6 HB THR 6 -9.338 -2.133 -2.925 45 HG1 THR 6 1HG THR 6 -6.764 -3.267 -2.107 46 1HG2 THR 6 1HG2 THR 6 -10.075 -3.965 -1.482 47 2HG2 THR 6 2HG2 THR 6 -8.412 -4.590 -1.350 48 3HG2 THR 6 3HG2 THR 6 -8.846 -3.044 -0.582 49 H LEU 7 H LEU 7 -6.070 -3.088 -4.144 50 HA LEU 7 HA LEU 7 -5.054 -5.830 -4.221 51 1HB LEU 7 1HB LEU 7 -3.922 -3.193 -5.146 52 2HB LEU 7 2HB LEU 7 -2.963 -4.656 -5.043 53 HG LEU 7 HG LEU 7 -5.513 -4.578 -6.651 54 1HD1 LEU 7 1HD1 LEU 7 -4.646 -3.307 -8.249 55 2HD1 LEU 7 2HD1 LEU 7 -3.287 -2.939 -7.160 56 3HD1 LEU 7 3HD1 LEU 7 -3.166 -4.297 -8.305 57 1HD2 LEU 7 1HD2 LEU 7 -3.867 -6.261 -7.950 58 2HD2 LEU 7 2HD2 LEU 7 -3.234 -6.445 -6.297 59 3HD2 LEU 7 3HD2 LEU 7 -4.953 -6.767 -6.633 60 H CYS 8 H CYS 8 -4.719 -6.558 -2.168 61 HA CYS 8 HA CYS 8 -3.524 -4.671 -0.290 62 1HB CYS 8 1HB CYS 8 -4.604 -7.389 0.416 63 2HB CYS 8 2HB CYS 8 -4.324 -6.013 1.464 64 H CYS 9 H CYS 9 -1.653 -5.447 1.009 65 HA CYS 9 HA CYS 9 0.158 -6.903 -0.642 66 1HB CYS 9 1HB CYS 9 0.459 -5.758 2.141 67 2HB CYS 9 2HB CYS 9 1.754 -6.506 1.229 68 H ASP 10 H ASP 10 1.330 -8.879 0.136 69 HA ASP 10 HA ASP 10 -0.549 -10.602 1.476 70 1HB ASP 10 1HB ASP 10 1.541 -10.886 -0.524 71 2HB ASP 10 2HB ASP 10 1.879 -11.978 0.804 72 H GLY 11 H GLY 11 1.194 -8.418 2.805 73 1HA GLY 11 1HA GLY 11 2.231 -8.180 4.791 74 2HA GLY 11 2HA GLY 11 1.934 -9.875 5.121 75 H ALA 12 H ALA 12 3.454 -9.665 2.093 76 HA ALA 12 HA ALA 12 6.142 -9.624 3.221 77 1HB ALA 12 1HB ALA 12 5.474 -11.973 3.331 78 2HB ALA 12 2HB ALA 12 4.946 -11.929 1.631 79 3HB ALA 12 3HB ALA 12 6.672 -11.752 2.033 80 H LEU 13 H LEU 13 4.911 -7.565 1.794 81 HA LEU 13 HA LEU 13 5.488 -6.201 0.134 82 1HB LEU 13 1HB LEU 13 7.499 -6.425 -0.739 83 2HB LEU 13 2HB LEU 13 7.625 -7.927 0.153 84 HG LEU 13 HG LEU 13 6.747 -9.146 -1.841 85 1HD1 LEU 13 1HD1 LEU 13 7.311 -7.217 -3.863 86 2HD1 LEU 13 2HD1 LEU 13 5.788 -8.074 -3.525 87 3HD1 LEU 13 3HD1 LEU 13 6.127 -6.516 -2.734 88 1HD2 LEU 13 1HD2 LEU 13 9.326 -7.684 -1.734 89 2HD2 LEU 13 2HD2 LEU 13 8.990 -9.431 -1.810 90 3HD2 LEU 13 3HD2 LEU 13 8.899 -8.441 -3.288 91 H LYS 14 H LYS 14 5.044 -9.604 -1.054 92 HA LYS 14 HA LYS 14 3.950 -9.193 -3.450 93 1HB LYS 14 1HB LYS 14 3.518 -11.198 -1.300 94 2HB LYS 14 2HB LYS 14 2.316 -11.164 -2.574 95 1HG LYS 14 1HG LYS 14 4.339 -11.152 -4.229 96 2HG LYS 14 2HG LYS 14 5.313 -11.611 -2.847 97 1HD LYS 14 1HD LYS 14 2.975 -13.145 -4.056 98 2HD LYS 14 2HD LYS 14 4.648 -13.656 -3.959 99 1HE LYS 14 1HE LYS 14 4.362 -13.474 -1.366 100 2HE LYS 14 2HE LYS 14 2.640 -13.399 -1.686 101 1HZ LYS 14 1HZ LYS 14 2.885 -15.655 -1.582 102 2HZ LYS 14 2HZ LYS 14 3.286 -15.520 -3.155 103 H ALA 15 H ALA 15 1.936 -8.649 -4.374 104 HA ALA 15 HA ALA 15 -0.056 -7.604 -2.499 105 1HB ALA 15 1HB ALA 15 0.082 -5.955 -4.863 106 2HB ALA 15 2HB ALA 15 0.286 -5.485 -3.159 107 3HB ALA 15 3HB ALA 15 1.690 -6.032 -4.106 108 H VAL 16 H VAL 16 -1.908 -8.708 -2.871 109 HA VAL 16 HA VAL 16 -2.465 -9.439 -5.662 110 HB VAL 16 HB VAL 16 -3.818 -11.218 -3.960 111 1HG1 VAL 16 1HG1 VAL 16 -2.455 -12.911 -5.067 112 2HG1 VAL 16 2HG1 VAL 16 -2.953 -11.662 -6.233 113 3HG1 VAL 16 3HG1 VAL 16 -1.293 -11.667 -5.589 114 1HG2 VAL 16 1HG2 VAL 16 -2.330 -10.626 -2.124 115 2HG2 VAL 16 2HG2 VAL 16 -1.968 -12.271 -2.697 116 3HG2 VAL 16 3HG2 VAL 16 -0.906 -10.918 -3.151 117 H SER 17 H SER 17 -4.860 -9.705 -6.090 118 HA SER 17 HA SER 17 -6.178 -7.481 -4.851 119 1HB SER 17 1HB SER 17 -7.950 -8.729 -6.670 120 2HB SER 17 2HB SER 17 -6.994 -7.286 -6.946 121 HG SER 17 HG SER 17 -6.607 -9.903 -7.884 122 H ALA 18 H ALA 18 -7.692 -7.660 -3.227 123 HA ALA 18 HA ALA 18 -8.815 -10.342 -2.778 124 1HB ALA 18 1HB ALA 18 -8.686 -9.927 -0.404 125 2HB ALA 18 2HB ALA 18 -7.083 -9.582 -1.097 126 3HB ALA 18 3HB ALA 18 -8.176 -8.242 -0.671 127 H CYS 19 H CYS 19 -10.998 -10.319 -1.748 128 HA CYS 19 HA CYS 19 -12.477 -8.006 -2.741 129 1HB CYS 19 1HB CYS 19 -12.943 -10.409 -3.537 130 2HB CYS 19 2HB CYS 19 -13.671 -10.659 -1.962 131 H LEU 20 H LEU 20 -12.104 -6.620 -0.903 132 HA LEU 20 HA LEU 20 -13.220 -7.649 1.611 133 1HB LEU 20 1HB LEU 20 -10.780 -6.275 0.987 134 2HB LEU 20 2HB LEU 20 -11.754 -5.267 2.040 135 HG LEU 20 HG LEU 20 -11.983 -7.351 3.539 136 1HD1 LEU 20 1HD1 LEU 20 -9.465 -8.492 2.891 137 2HD1 LEU 20 2HD1 LEU 20 -11.072 -9.257 2.875 138 3HD1 LEU 20 3HD1 LEU 20 -10.446 -8.471 1.406 139 1HD2 LEU 20 1HD2 LEU 20 -10.555 -6.246 4.827 140 2HD2 LEU 20 2HD2 LEU 20 -9.180 -6.735 3.808 141 3HD2 LEU 20 3HD2 LEU 20 -10.102 -5.264 3.414 142 H HIS 21 H HIS 21 -14.401 -5.990 2.946 143 HA HIS 21 HA HIS 21 -16.073 -4.446 1.139 144 1HB HIS 21 1HB HIS 21 -16.588 -4.894 4.075 145 2HB HIS 21 2HB HIS 21 -17.734 -4.510 2.807 146 HD1 HIS 21 1HD HIS 21 -18.602 -6.837 4.350 147 HD2 HIS 21 2HD HIS 21 -15.843 -7.257 1.219 148 HE1 HIS 21 1HE HIS 21 -18.704 -9.283 3.632 149 H GLU 22 H GLU 22 -16.936 -2.288 2.224 150 HA GLU 22 HA GLU 22 -14.684 -0.652 2.456 151 1HB GLU 22 1HB GLU 22 -17.477 -0.336 2.030 152 2HB GLU 22 2HB GLU 22 -17.113 0.611 3.460 153 1HG GLU 22 1HG GLU 22 -15.057 1.494 2.049 154 2HG GLU 22 2HG GLU 22 -15.956 0.890 0.671 155 H SER 23 H SER 23 -16.818 -2.270 4.797 156 HA SER 23 HA SER 23 -15.885 -0.705 6.977 157 1HB SER 23 1HB SER 23 -17.970 -2.629 6.482 158 2HB SER 23 2HB SER 23 -17.033 -3.204 7.846 159 HG SER 23 HG SER 23 -18.932 -1.494 8.060 160 H GLU 24 H GLU 24 -14.295 -2.831 5.047 161 HA GLU 24 HA GLU 24 -12.744 -3.847 7.299 162 1HB GLU 24 1HB GLU 24 -14.189 -5.516 5.795 163 2HB GLU 24 2HB GLU 24 -12.841 -5.357 4.688 164 1HG GLU 24 1HG GLU 24 -11.307 -5.898 6.709 165 2HG GLU 24 2HG GLU 24 -12.766 -6.357 7.565 166 H SER 25 H SER 25 -10.425 -3.932 6.982 167 HA SER 25 HA SER 25 -9.517 -2.646 4.545 168 1HB SER 25 1HB SER 25 -9.242 -1.630 7.343 169 2HB SER 25 2HB SER 25 -7.794 -1.539 6.361 170 HG SER 25 HG SER 25 -10.213 -0.112 6.144 171 H CYS 26 H CYS 26 -7.452 -3.377 3.835 172 HA CYS 26 HA CYS 26 -6.327 -5.514 5.497 173 1HB CYS 26 1HB CYS 26 -5.395 -6.207 3.115 174 2HB CYS 26 2HB CYS 26 -6.945 -6.754 3.722 175 H LEU 27 H LEU 27 -3.853 -5.860 4.644 176 HA LEU 27 HA LEU 27 -2.520 -3.477 5.332 177 1HB LEU 27 1HB LEU 27 -1.908 -6.042 5.530 178 2HB LEU 27 2HB LEU 27 -1.132 -5.751 3.985 179 HG LEU 27 HG LEU 27 0.050 -3.776 5.166 180 1HD1 LEU 27 1HD1 LEU 27 -0.355 -5.330 7.692 181 2HD1 LEU 27 2HD1 LEU 27 0.108 -3.628 7.454 182 3HD1 LEU 27 3HD1 LEU 27 -1.580 -4.135 7.199 183 1HD2 LEU 27 1HD2 LEU 27 1.892 -5.111 5.606 184 2HD2 LEU 27 2HD2 LEU 27 0.905 -6.459 6.216 185 3HD2 LEU 27 3HD2 LEU 27 0.950 -6.108 4.472 186 H VAL 28 H VAL 28 -3.144 -1.811 3.900 187 HA VAL 28 HA VAL 28 -2.810 -2.212 1.076 188 HB VAL 28 HB VAL 28 -3.511 0.169 2.797 189 1HG1 VAL 28 1HG1 VAL 28 -3.844 0.118 -0.196 190 2HG1 VAL 28 2HG1 VAL 28 -3.804 1.509 0.915 191 3HG1 VAL 28 3HG1 VAL 28 -2.303 0.630 0.534 192 1HG2 VAL 28 1HG2 VAL 28 -5.113 -1.842 2.493 193 2HG2 VAL 28 2HG2 VAL 28 -5.744 -0.203 2.205 194 3HG2 VAL 28 3HG2 VAL 28 -5.310 -1.243 0.828 195 HA PRO 29 HA PRO 29 1.320 -0.933 0.930 196 1HB PRO 29 1HB PRO 29 1.553 -0.350 -1.731 197 2HB PRO 29 2HB PRO 29 1.640 -1.980 -1.095 198 1HG PRO 29 1HG PRO 29 -0.577 -0.675 -2.550 199 2HG PRO 29 2HG PRO 29 -0.293 -2.383 -2.288 200 1HD PRO 29 1HD PRO 29 -2.195 -0.731 -0.918 201 2HD PRO 29 2HD PRO 29 -1.828 -2.410 -0.577 202 H GLY 30 H GLY 30 2.683 0.927 -0.468 203 1HA GLY 30 1HA GLY 30 1.216 3.432 -0.109 204 2HA GLY 30 2HA GLY 30 2.630 3.175 0.892 205 H ASP 31 H ASP 31 2.225 5.218 -1.217 206 HA ASP 31 HA ASP 31 4.176 4.284 -3.163 207 1HB ASP 31 1HB ASP 31 2.490 6.816 -3.326 208 2HB ASP 31 2HB ASP 31 3.366 6.040 -4.631 209 H CYS 32 H CYS 32 6.249 4.910 -2.516 210 HA CYS 32 HA CYS 32 6.532 7.275 -0.885 211 1HB CYS 32 1HB CYS 32 8.247 4.942 -1.588 212 2HB CYS 32 2HB CYS 32 9.051 6.441 -1.170 213 H CYS 33 H CYS 33 6.631 9.221 -1.959 214 HA CYS 33 HA CYS 33 8.039 9.214 -4.530 215 1HB CYS 33 1HB CYS 33 6.664 11.107 -5.194 216 2HB CYS 33 2HB CYS 33 5.693 9.690 -4.844 217 H ARG 34 H ARG 34 9.641 10.845 -4.825 218 HA ARG 34 HA ARG 34 9.895 12.898 -2.894 219 1HB ARG 34 1HB ARG 34 11.030 11.330 -1.511 220 2HB ARG 34 2HB ARG 34 11.763 10.507 -2.873 221 1HG ARG 34 1HG ARG 34 13.400 11.918 -1.588 222 2HG ARG 34 2HG ARG 34 13.289 12.371 -3.278 223 1HD ARG 34 1HD ARG 34 12.905 14.497 -2.557 224 2HD ARG 34 2HD ARG 34 11.307 13.953 -2.086 225 HE ARG 34 HE ARG 34 12.686 13.222 0.111 226 1HH1 ARG 34 1HH1 ARG 34 12.897 16.227 -1.753 227 2HH1 ARG 34 2HH1 ARG 34 13.373 17.184 -0.391 228 1HH2 ARG 34 1HH2 ARG 34 13.612 16.139 1.752 229 H GLY 35 H GLY 35 10.819 14.665 -3.932 230 1HA GLY 35 1HA GLY 35 11.955 15.872 -5.454 231 2HA GLY 35 2HA GLY 35 12.946 14.465 -5.783 232 H LYS 36 H LYS 36 12.463 13.077 -7.545 233 HA LYS 36 HA LYS 36 10.074 13.733 -9.083 234 1HB LYS 36 1HB LYS 36 11.260 14.060 -11.122 235 2HB LYS 36 2HB LYS 36 11.963 15.137 -9.933 236 1HG LYS 36 1HG LYS 36 13.986 14.049 -9.945 237 2HG LYS 36 2HG LYS 36 13.249 12.460 -10.011 238 1HD LYS 36 1HD LYS 36 12.708 12.877 -12.460 239 2HD LYS 36 2HD LYS 36 13.598 14.384 -12.358 240 1HE LYS 36 1HE LYS 36 15.659 13.143 -11.706 241 2HE LYS 36 2HE LYS 36 14.776 11.630 -11.752 242 1HZ LYS 36 1HZ LYS 36 14.784 11.627 -14.024 243 2HZ LYS 36 2HZ LYS 36 14.628 13.241 -14.173 244 H SER 37 H SER 37 10.966 11.530 -7.251 245 HA SER 37 HA SER 37 10.660 9.420 -9.224 246 1HB SER 37 1HB SER 37 12.425 8.147 -8.427 247 2HB SER 37 2HB SER 37 13.077 9.752 -8.160 248 HG SER 37 HG SER 37 12.379 7.796 -6.313 249 H ARG 38 H ARG 38 9.279 7.705 -8.551 250 HA ARG 38 HA ARG 38 8.377 7.801 -5.816 251 1HB ARG 38 1HB ARG 38 6.742 9.226 -6.972 252 2HB ARG 38 2HB ARG 38 6.539 8.043 -8.248 253 1HG ARG 38 1HG ARG 38 5.663 6.402 -6.530 254 2HG ARG 38 2HG ARG 38 5.777 7.659 -5.314 255 1HD ARG 38 1HD ARG 38 3.544 7.905 -5.969 256 2HD ARG 38 2HD ARG 38 4.312 9.071 -7.027 257 HE ARG 38 HE ARG 38 4.415 6.724 -8.497 258 1HH1 ARG 38 1HH1 ARG 38 1.793 8.502 -6.910 259 2HH1 ARG 38 2HH1 ARG 38 0.586 7.968 -8.032 260 1HH2 ARG 38 1HH2 ARG 38 1.213 6.508 -9.826 261 H LEU 39 H LEU 39 7.355 5.757 -5.130 262 HA LEU 39 HA LEU 39 7.246 3.627 -7.073 263 1HB LEU 39 1HB LEU 39 9.467 3.265 -6.695 264 2HB LEU 39 2HB LEU 39 9.416 3.878 -5.054 265 HG LEU 39 HG LEU 39 8.002 1.729 -4.563 266 1HD1 LEU 39 1HD1 LEU 39 8.966 -0.170 -6.050 267 2HD1 LEU 39 2HD1 LEU 39 7.581 0.784 -6.635 268 3HD1 LEU 39 3HD1 LEU 39 9.218 1.126 -7.244 269 1HD2 LEU 39 1HD2 LEU 39 10.334 0.445 -4.496 270 2HD2 LEU 39 2HD2 LEU 39 10.949 2.085 -4.821 271 3HD2 LEU 39 3HD2 LEU 39 9.945 1.779 -3.383 272 H THR 40 H THR 40 5.834 1.970 -6.435 273 HA THR 40 HA THR 40 4.514 2.460 -3.845 274 HB THR 40 HB THR 40 3.317 1.293 -6.411 275 HG1 THR 40 1HG THR 40 2.989 3.440 -6.915 276 1HG2 THR 40 1HG2 THR 40 1.177 1.841 -5.353 277 2HG2 THR 40 2HG2 THR 40 2.106 0.852 -4.201 278 3HG2 THR 40 3HG2 THR 40 2.005 2.615 -3.980 279 H LEU 41 H LEU 41 5.155 1.017 -2.374 280 HA LEU 41 HA LEU 41 4.917 -1.771 -3.065 281 1HB LEU 41 1HB LEU 41 7.057 -2.402 -2.992 282 2HB LEU 41 2HB LEU 41 7.337 -0.759 -3.535 283 HG LEU 41 HG LEU 41 7.329 -0.513 -0.767 284 1HD1 LEU 41 1HD1 LEU 41 8.919 -2.229 0.025 285 2HD1 LEU 41 2HD1 LEU 41 7.340 -2.911 -0.439 286 3HD1 LEU 41 3HD1 LEU 41 8.740 -3.085 -1.526 287 1HD2 LEU 41 1HD2 LEU 41 8.943 0.750 -1.698 288 2HD2 LEU 41 2HD2 LEU 41 9.974 -0.650 -1.315 289 3HD2 LEU 41 3HD2 LEU 41 9.315 -0.453 -2.956 290 H CYS 42 H CYS 42 5.489 -3.104 -0.937 291 HA CYS 42 HA CYS 42 3.952 -1.789 1.124 292 1HB CYS 42 1HB CYS 42 5.026 -4.596 1.260 293 2HB CYS 42 2HB CYS 42 3.636 -3.911 2.079 294 H SER 43 H SER 43 5.013 -0.624 2.688 295 HA SER 43 HA SER 43 7.372 -1.747 3.839 296 1HB SER 43 1HB SER 43 8.373 -0.497 1.982 297 2HB SER 43 2HB SER 43 7.454 0.937 2.397 298 HG SER 43 HG SER 43 8.602 0.925 4.498 299 H TYR 44 H TYR 44 6.084 -1.840 5.761 300 HA TYR 44 HA TYR 44 5.073 0.725 6.744 301 1HB TYR 44 1HB TYR 44 4.784 -2.044 8.009 302 2HB TYR 44 2HB TYR 44 3.648 -0.711 8.087 303 HD1 TYR 44 1HD TYR 44 4.963 -3.414 5.920 304 HD2 TYR 44 2HD TYR 44 1.956 -0.410 6.407 305 HE1 TYR 44 1HE TYR 44 3.630 -4.427 4.007 306 HE2 TYR 44 2HE TYR 44 0.632 -1.434 4.493 307 HH TYR 44 HH TYR 44 0.913 -4.345 3.465 308 H GLY 45 H GLY 45 5.261 0.988 9.230 309 1HA GLY 45 1HA GLY 45 7.997 0.199 10.041 310 2HA GLY 45 2HA GLY 45 7.282 1.762 10.381 311 H GLU 46 H GLU 46 7.279 1.672 12.645 312 HA GLU 46 HA GLU 46 5.659 -0.492 13.746 313 1HB GLU 46 1HB GLU 46 7.804 1.078 15.234 314 2HB GLU 46 2HB GLU 46 6.966 -0.356 15.794 315 1HG GLU 46 1HG GLU 46 8.349 -0.659 13.165 316 2HG GLU 46 2HG GLU 46 9.414 -0.380 14.529 317 H GLY 47 H GLY 47 3.958 0.051 15.155 318 1HA GLY 47 1HA GLY 47 3.484 2.183 16.672 319 2HA GLY 47 2HA GLY 47 3.157 2.849 15.085 320 H GLY 48 H GLY 48 1.890 0.936 13.642 321 1HA GLY 48 1HA GLY 48 0.107 -0.789 14.762 322 2HA GLY 48 2HA GLY 48 -0.670 0.771 14.938 323 H ASN 49 H ASN 49 -0.412 2.225 12.784 324 HA ASN 49 HA ASN 49 -0.561 0.561 10.444 325 1HB ASN 49 1HB ASN 49 -2.906 1.943 11.710 326 2HB ASN 49 2HB ASN 49 -2.763 2.151 9.976 327 1HD2 ASN 49 1HD2 ASN 49 -4.907 0.871 10.919 328 2HD2 ASN 49 2HD2 ASN 49 -4.857 -0.828 10.583 329 H GLY 50 H GLY 50 1.283 1.751 9.656 330 1HA GLY 50 1HA GLY 50 0.711 4.330 8.536 331 2HA GLY 50 2HA GLY 50 1.827 4.417 9.885 332 H PHE 51 H PHE 51 2.833 5.225 7.495 333 HA PHE 51 HA PHE 51 4.286 2.902 6.455 334 1HB PHE 51 1HB PHE 51 2.846 4.991 5.244 335 2HB PHE 51 2HB PHE 51 4.486 5.605 5.170 336 HD1 PHE 51 1HD PHE 51 5.255 5.372 3.009 337 HD2 PHE 51 2HD PHE 51 3.106 2.157 4.756 338 HE1 PHE 51 1HE PHE 51 5.686 3.976 0.969 339 HE2 PHE 51 2HE PHE 51 3.537 0.760 2.716 340 HZ PHE 51 HZ PHE 51 4.823 1.686 0.847 341 H GLN 52 H GLN 52 6.609 3.427 5.725 342 HA GLN 52 HA GLN 52 7.804 5.464 7.397 343 1HB GLN 52 1HB GLN 52 7.857 3.303 8.686 344 2HB GLN 52 2HB GLN 52 8.771 2.570 7.383 345 1HG GLN 52 1HG GLN 52 10.718 3.549 8.055 346 2HG GLN 52 2HG GLN 52 9.966 5.123 8.223 347 1HE2 GLN 52 1HE2 GLN 52 9.096 5.775 10.158 348 2HE2 GLN 52 2HE2 GLN 52 9.380 4.965 11.664 349 H CYS 53 H CYS 53 7.823 6.384 5.117 350 HA CYS 53 HA CYS 53 9.166 5.225 3.030 351 1HB CYS 53 1HB CYS 53 8.480 8.005 3.820 352 2HB CYS 53 2HB CYS 53 9.718 7.821 2.592 353 HA PRO 54 HA PRO 54 13.268 5.301 4.556 354 1HB PRO 54 1HB PRO 54 14.558 4.420 2.313 355 2HB PRO 54 2HB PRO 54 13.789 3.343 3.463 356 1HG PRO 54 1HG PRO 54 12.862 4.153 0.775 357 2HG PRO 54 2HG PRO 54 12.353 2.786 1.747 358 1HD PRO 54 1HD PRO 54 10.918 5.238 1.349 359 2HD PRO 54 2HD PRO 54 10.466 3.918 2.410 360 H THR 55 H THR 55 15.570 6.085 3.860 361 HA THR 55 HA THR 55 15.298 8.856 3.531 362 HB THR 55 HB THR 55 17.630 6.887 3.338 363 HG1 THR 55 1HG THR 55 16.633 8.914 5.217 364 1HG2 THR 55 1HG2 THR 55 18.656 9.370 4.077 365 2HG2 THR 55 2HG2 THR 55 18.830 8.647 2.460 366 3HG2 THR 55 3HG2 THR 55 17.518 9.807 2.780 367 H GLY 56 H GLY 56 15.075 10.156 1.817 368 1HA GLY 56 1HA GLY 56 15.559 10.829 -0.360 369 2HA GLY 56 2HA GLY 56 15.946 9.179 -0.805 370 H TYR 57 H TYR 57 13.153 9.095 1.121 371 HA TYR 57 HA TYR 57 11.406 9.372 -1.226 372 1HB TYR 57 1HB TYR 57 11.768 7.192 0.900 373 2HB TYR 57 2HB TYR 57 10.225 7.356 0.085 374 HD1 TYR 57 1HD TYR 57 13.462 5.883 -0.050 375 HD2 TYR 57 2HD TYR 57 10.266 7.279 -2.528 376 HE1 TYR 57 1HE TYR 57 14.318 4.456 -1.972 377 HE2 TYR 57 2HE TYR 57 11.133 5.847 -4.442 378 HH TYR 57 HH TYR 57 14.215 4.395 -4.351 379 H ARG 58 H ARG 58 9.152 9.861 -0.723 380 HA ARG 58 HA ARG 58 8.684 10.623 2.015 381 1HB ARG 58 1HB ARG 58 9.601 12.645 0.705 382 2HB ARG 58 2HB ARG 58 8.151 12.575 -0.277 383 1HG ARG 58 1HG ARG 58 7.571 12.500 2.624 384 2HG ARG 58 2HG ARG 58 8.422 13.954 2.142 385 1HD ARG 58 1HD ARG 58 6.667 14.111 0.203 386 2HD ARG 58 2HD ARG 58 5.748 12.926 1.111 387 HE ARG 58 HE ARG 58 6.566 15.090 2.843 388 1HH1 ARG 58 1HH1 ARG 58 4.230 14.297 0.301 389 2HH1 ARG 58 2HH1 ARG 58 3.065 15.462 0.836 390 1HH2 ARG 58 1HH2 ARG 58 3.556 16.821 2.748 391 H GLN 59 H GLN 59 6.801 9.526 2.481 392 HA GLN 59 HA GLN 59 5.183 8.259 0.850 393 1HB GLN 59 1HB GLN 59 3.405 8.465 2.554 394 2HB GLN 59 2HB GLN 59 4.969 8.231 3.308 395 1HG GLN 59 1HG GLN 59 5.036 10.892 3.340 396 2HG GLN 59 2HG GLN 59 3.298 10.752 3.158 397 1HE2 GLN 59 1HE2 GLN 59 6.013 9.442 5.043 398 2HE2 GLN 59 2HE2 GLN 59 5.194 9.328 6.565 399 H CYS 60 H CYS 60 3.762 8.683 -0.799 400 HA CYS 60 HA CYS 60 3.375 11.416 -1.530 401 1HB CYS 60 1HB CYS 60 3.368 8.912 -2.843 402 2HB CYS 60 2HB CYS 60 1.763 9.583 -3.054 Start of MODEL 13 1 1H ASP 1 1H ASP 1 -17.457 -4.857 -8.759 2 HA ASP 1 HA ASP 1 -20.288 -5.498 -8.963 3 1HB ASP 1 1HB ASP 1 -18.219 -7.373 -7.802 4 2HB ASP 1 2HB ASP 1 -19.724 -7.769 -8.607 5 H ARG 2 H ARG 2 -20.004 -7.377 -6.602 6 HA ARG 2 HA ARG 2 -20.625 -5.519 -4.615 7 1HB ARG 2 1HB ARG 2 -19.865 -8.389 -3.993 8 2HB ARG 2 2HB ARG 2 -21.123 -7.412 -3.262 9 1HG ARG 2 1HG ARG 2 -22.142 -7.411 -5.729 10 2HG ARG 2 2HG ARG 2 -21.139 -8.834 -5.934 11 1HD ARG 2 1HD ARG 2 -22.208 -9.771 -3.793 12 2HD ARG 2 2HD ARG 2 -23.329 -8.425 -3.845 13 HE ARG 2 HE ARG 2 -23.527 -9.477 -6.392 14 1HH1 ARG 2 1HH1 ARG 2 -23.804 -10.897 -3.158 15 2HH1 ARG 2 2HH1 ARG 2 -24.910 -12.132 -3.659 16 1HH2 ARG 2 1HH2 ARG 2 -25.591 -12.238 -5.955 17 H CYS 3 H CYS 3 -19.508 -5.399 -2.421 18 HA CYS 3 HA CYS 3 -17.749 -4.989 -1.176 19 1HB CYS 3 1HB CYS 3 -16.357 -6.690 -0.812 20 2HB CYS 3 2HB CYS 3 -17.362 -7.539 -1.970 21 H ARG 4 H ARG 4 -15.417 -4.042 -1.265 22 HA ARG 4 HA ARG 4 -15.214 -2.590 -3.771 23 1HB ARG 4 1HB ARG 4 -14.601 -1.932 -0.897 24 2HB ARG 4 2HB ARG 4 -13.573 -1.193 -2.109 25 1HG ARG 4 1HG ARG 4 -15.952 -0.668 -3.274 26 2HG ARG 4 2HG ARG 4 -16.522 -0.806 -1.622 27 1HD ARG 4 1HD ARG 4 -15.950 1.536 -2.064 28 2HD ARG 4 2HD ARG 4 -14.806 0.889 -0.905 29 HE ARG 4 HE ARG 4 -13.765 0.485 -3.546 30 1HH1 ARG 4 1HH1 ARG 4 -14.385 3.106 -1.244 31 2HH1 ARG 4 2HH1 ARG 4 -13.128 4.119 -1.870 32 1HH2 ARG 4 1HH2 ARG 4 -11.800 3.345 -3.709 33 H TYR 5 H TYR 5 -14.176 -4.880 -4.374 34 HA TYR 5 HA TYR 5 -11.918 -5.939 -3.492 35 1HB TYR 5 1HB TYR 5 -11.442 -6.340 -5.968 36 2HB TYR 5 2HB TYR 5 -13.132 -6.586 -5.574 37 HD1 TYR 5 1HD TYR 5 -14.835 -4.891 -6.236 38 HD2 TYR 5 2HD TYR 5 -10.741 -4.553 -7.431 39 HE1 TYR 5 1HE TYR 5 -15.490 -3.213 -8.029 40 HE2 TYR 5 2HE TYR 5 -11.409 -2.875 -9.220 41 HH TYR 5 HH TYR 5 -13.014 -1.770 -10.138 42 H THR 6 H THR 6 -9.859 -5.345 -3.018 43 HA THR 6 HA THR 6 -8.668 -3.154 -4.531 44 HB THR 6 HB THR 6 -9.537 -1.890 -2.702 45 HG1 THR 6 1HG THR 6 -7.495 -1.290 -2.066 46 1HG2 THR 6 1HG2 THR 6 -8.875 -2.850 -0.283 47 2HG2 THR 6 2HG2 THR 6 -10.398 -3.343 -1.062 48 3HG2 THR 6 3HG2 THR 6 -8.976 -4.413 -1.128 49 H LEU 7 H LEU 7 -6.259 -2.906 -3.780 50 HA LEU 7 HA LEU 7 -5.241 -5.650 -3.617 51 1HB LEU 7 1HB LEU 7 -4.373 -3.183 -5.042 52 2HB LEU 7 2HB LEU 7 -3.128 -4.280 -4.476 53 HG LEU 7 HG LEU 7 -4.746 -6.061 -5.704 54 1HD1 LEU 7 1HD1 LEU 7 -5.527 -5.102 -7.838 55 2HD1 LEU 7 2HD1 LEU 7 -6.382 -4.427 -6.428 56 3HD1 LEU 7 3HD1 LEU 7 -5.116 -3.476 -7.241 57 1HD2 LEU 7 1HD2 LEU 7 -2.228 -5.304 -6.014 58 2HD2 LEU 7 2HD2 LEU 7 -3.065 -6.297 -7.231 59 3HD2 LEU 7 3HD2 LEU 7 -2.887 -4.543 -7.482 60 H CYS 8 H CYS 8 -4.524 -6.252 -1.652 61 HA CYS 8 HA CYS 8 -3.308 -4.145 -0.016 62 1HB CYS 8 1HB CYS 8 -4.938 -6.513 0.927 63 2HB CYS 8 2HB CYS 8 -4.082 -5.394 1.970 64 H CYS 9 H CYS 9 -1.664 -5.129 1.599 65 HA CYS 9 HA CYS 9 -0.254 -7.291 0.221 66 1HB CYS 9 1HB CYS 9 0.648 -4.829 1.615 67 2HB CYS 9 2HB CYS 9 1.631 -6.263 1.841 68 H ASP 10 H ASP 10 0.632 -9.020 1.553 69 HA ASP 10 HA ASP 10 -0.957 -9.426 3.906 70 1HB ASP 10 1HB ASP 10 -0.805 -11.367 2.557 71 2HB ASP 10 2HB ASP 10 0.892 -11.110 2.204 72 H GLY 11 H GLY 11 2.069 -8.073 3.048 73 1HA GLY 11 1HA GLY 11 3.604 -7.137 4.472 74 2HA GLY 11 2HA GLY 11 2.954 -8.059 5.814 75 H ALA 12 H ALA 12 3.027 -10.623 4.113 76 HA ALA 12 HA ALA 12 5.862 -10.997 3.695 77 1HB ALA 12 1HB ALA 12 5.391 -11.324 6.184 78 2HB ALA 12 2HB ALA 12 4.399 -12.727 5.719 79 3HB ALA 12 3HB ALA 12 6.140 -12.705 5.346 80 H LEU 13 H LEU 13 5.088 -11.274 1.497 81 HA LEU 13 HA LEU 13 4.838 -13.801 0.638 82 1HB LEU 13 1HB LEU 13 2.335 -12.944 1.838 83 2HB LEU 13 2HB LEU 13 2.126 -13.379 0.154 84 HG LEU 13 HG LEU 13 3.696 -15.283 1.813 85 1HD1 LEU 13 1HD1 LEU 13 1.060 -16.098 2.240 86 2HD1 LEU 13 2HD1 LEU 13 2.205 -15.472 3.449 87 3HD1 LEU 13 3HD1 LEU 13 1.073 -14.364 2.639 88 1HD2 LEU 13 1HD2 LEU 13 1.573 -16.483 0.343 89 2HD2 LEU 13 2HD2 LEU 13 2.339 -15.255 -0.694 90 3HD2 LEU 13 3HD2 LEU 13 3.325 -16.547 0.032 91 H LYS 14 H LYS 14 2.303 -11.455 -0.317 92 HA LYS 14 HA LYS 14 3.791 -9.921 -2.059 93 1HB LYS 14 1HB LYS 14 3.895 -12.456 -3.021 94 2HB LYS 14 2HB LYS 14 2.434 -11.897 -3.809 95 1HG LYS 14 1HG LYS 14 4.404 -11.411 -5.217 96 2HG LYS 14 2HG LYS 14 3.640 -9.919 -4.707 97 1HD LYS 14 1HD LYS 14 5.529 -10.568 -2.663 98 2HD LYS 14 2HD LYS 14 6.349 -10.856 -4.184 99 1HE LYS 14 1HE LYS 14 4.760 -8.348 -4.160 100 2HE LYS 14 2HE LYS 14 6.043 -8.369 -2.967 101 1HZ LYS 14 1HZ LYS 14 7.561 -8.145 -4.595 102 2HZ LYS 14 2HZ LYS 14 6.967 -9.384 -5.467 103 H ALA 15 H ALA 15 2.511 -8.231 -2.715 104 HA ALA 15 HA ALA 15 -0.009 -7.943 -1.639 105 1HB ALA 15 1HB ALA 15 0.557 -6.453 -4.143 106 2HB ALA 15 2HB ALA 15 0.151 -5.849 -2.519 107 3HB ALA 15 3HB ALA 15 1.819 -6.344 -2.894 108 H VAL 16 H VAL 16 -2.123 -8.244 -2.388 109 HA VAL 16 HA VAL 16 -2.494 -9.230 -5.080 110 HB VAL 16 HB VAL 16 -1.928 -11.118 -3.299 111 1HG1 VAL 16 1HG1 VAL 16 -3.693 -10.482 -1.720 112 2HG1 VAL 16 2HG1 VAL 16 -4.925 -10.742 -2.978 113 3HG1 VAL 16 3HG1 VAL 16 -3.971 -12.116 -2.367 114 1HG2 VAL 16 1HG2 VAL 16 -3.901 -11.115 -5.573 115 2HG2 VAL 16 2HG2 VAL 16 -2.258 -11.797 -5.498 116 3HG2 VAL 16 3HG2 VAL 16 -3.597 -12.604 -4.647 117 H SER 17 H SER 17 -4.899 -9.449 -5.558 118 HA SER 17 HA SER 17 -6.203 -7.268 -4.192 119 1HB SER 17 1HB SER 17 -7.945 -8.010 -6.177 120 2HB SER 17 2HB SER 17 -6.654 -6.844 -6.386 121 HG SER 17 HG SER 17 -5.994 -8.182 -7.926 122 H ALA 18 H ALA 18 -7.970 -7.534 -2.828 123 HA ALA 18 HA ALA 18 -9.158 -10.219 -2.743 124 1HB ALA 18 1HB ALA 18 -7.893 -8.577 -0.579 125 2HB ALA 18 2HB ALA 18 -9.358 -9.499 -0.168 126 3HB ALA 18 3HB ALA 18 -7.925 -10.342 -0.802 127 H CYS 19 H CYS 19 -11.395 -10.224 -1.866 128 HA CYS 19 HA CYS 19 -12.740 -7.808 -2.733 129 1HB CYS 19 1HB CYS 19 -13.308 -10.284 -3.386 130 2HB CYS 19 2HB CYS 19 -14.154 -10.299 -1.851 131 H LEU 20 H LEU 20 -12.095 -6.486 -0.861 132 HA LEU 20 HA LEU 20 -13.167 -7.398 1.697 133 1HB LEU 20 1HB LEU 20 -11.231 -6.613 2.403 134 2HB LEU 20 2HB LEU 20 -10.878 -5.879 0.852 135 HG LEU 20 HG LEU 20 -12.620 -4.575 2.956 136 1HD1 LEU 20 1HD1 LEU 20 -10.790 -4.155 4.139 137 2HD1 LEU 20 2HD1 LEU 20 -9.753 -4.907 2.905 138 3HD1 LEU 20 3HD1 LEU 20 -10.188 -3.186 2.772 139 1HD2 LEU 20 1HD2 LEU 20 -11.952 -3.934 0.208 140 2HD2 LEU 20 2HD2 LEU 20 -13.140 -3.186 1.302 141 3HD2 LEU 20 3HD2 LEU 20 -11.446 -2.641 1.321 142 H HIS 21 H HIS 21 -14.427 -5.831 3.022 143 HA HIS 21 HA HIS 21 -16.177 -4.311 1.244 144 1HB HIS 21 1HB HIS 21 -16.666 -5.371 4.041 145 2HB HIS 21 2HB HIS 21 -17.823 -4.471 3.082 146 HD1 HIS 21 1HD HIS 21 -16.872 -7.855 3.882 147 HD2 HIS 21 2HD HIS 21 -18.395 -5.927 0.483 148 HE1 HIS 21 1HE HIS 21 -17.861 -9.686 2.406 149 H GLU 22 H GLU 22 -17.328 -2.454 2.820 150 HA GLU 22 HA GLU 22 -15.305 -0.561 3.060 151 1HB GLU 22 1HB GLU 22 -18.235 -0.700 3.500 152 2HB GLU 22 2HB GLU 22 -17.426 0.492 4.500 153 1HG GLU 22 1HG GLU 22 -16.198 1.063 2.156 154 2HG GLU 22 2HG GLU 22 -17.671 0.374 1.501 155 H SER 23 H SER 23 -16.679 -2.919 5.299 156 HA SER 23 HA SER 23 -15.755 -1.560 7.614 157 1HB SER 23 1HB SER 23 -16.244 -3.979 8.599 158 2HB SER 23 2HB SER 23 -17.561 -2.917 8.143 159 HG SER 23 HG SER 23 -17.431 -5.302 7.319 160 H GLU 24 H GLU 24 -14.992 -4.949 6.554 161 HA GLU 24 HA GLU 24 -12.769 -5.364 7.876 162 1HB GLU 24 1HB GLU 24 -13.925 -6.841 6.108 163 2HB GLU 24 2HB GLU 24 -12.921 -6.044 4.914 164 1HG GLU 24 1HG GLU 24 -11.829 -8.122 5.623 165 2HG GLU 24 2HG GLU 24 -10.870 -6.757 6.161 166 H SER 25 H SER 25 -10.420 -5.177 7.467 167 HA SER 25 HA SER 25 -9.724 -3.112 5.567 168 1HB SER 25 1HB SER 25 -10.111 -1.946 7.735 169 2HB SER 25 2HB SER 25 -8.958 -3.008 8.519 170 HG SER 25 HG SER 25 -8.369 -0.709 7.454 171 H CYS 26 H CYS 26 -7.392 -3.137 5.019 172 HA CYS 26 HA CYS 26 -5.957 -5.441 6.072 173 1HB CYS 26 1HB CYS 26 -5.180 -5.747 3.580 174 2HB CYS 26 2HB CYS 26 -6.611 -6.544 4.205 175 H LEU 27 H LEU 27 -3.560 -5.274 5.012 176 HA LEU 27 HA LEU 27 -2.687 -2.612 5.667 177 1HB LEU 27 1HB LEU 27 -1.639 -4.847 6.370 178 2HB LEU 27 2HB LEU 27 -0.976 -4.909 4.749 179 HG LEU 27 HG LEU 27 -0.360 -2.334 5.776 180 1HD1 LEU 27 1HD1 LEU 27 0.331 -4.535 7.742 181 2HD1 LEU 27 2HD1 LEU 27 0.909 -2.851 7.796 182 3HD1 LEU 27 3HD1 LEU 27 -0.821 -3.207 8.017 183 1HD2 LEU 27 1HD2 LEU 27 2.011 -3.534 5.805 184 2HD2 LEU 27 2HD2 LEU 27 1.106 -4.787 4.920 185 3HD2 LEU 27 3HD2 LEU 27 1.174 -3.123 4.288 186 H VAL 28 H VAL 28 -3.351 -1.198 4.046 187 HA VAL 28 HA VAL 28 -2.907 -1.901 1.297 188 HB VAL 28 HB VAL 28 -4.852 -0.662 1.785 189 1HG1 VAL 28 1HG1 VAL 28 -4.286 1.826 2.743 190 2HG1 VAL 28 2HG1 VAL 28 -4.792 0.449 3.753 191 3HG1 VAL 28 3HG1 VAL 28 -3.065 0.851 3.595 192 1HG2 VAL 28 1HG2 VAL 28 -4.273 1.642 0.656 193 2HG2 VAL 28 2HG2 VAL 28 -2.677 0.892 0.412 194 3HG2 VAL 28 3HG2 VAL 28 -4.133 0.127 -0.267 195 HA PRO 29 HA PRO 29 1.080 -0.240 1.055 196 1HB PRO 29 1HB PRO 29 1.326 0.029 -1.654 197 2HB PRO 29 2HB PRO 29 1.558 -1.493 -0.818 198 1HG PRO 29 1HG PRO 29 -0.737 -0.609 -2.458 199 2HG PRO 29 2HG PRO 29 -0.293 -2.235 -1.977 200 1HD PRO 29 1HD PRO 29 -2.386 -0.626 -0.856 201 2HD PRO 29 2HD PRO 29 -1.865 -2.204 -0.300 202 H GLY 30 H GLY 30 2.312 1.565 -0.487 203 1HA GLY 30 1HA GLY 30 0.593 3.931 -0.525 204 2HA GLY 30 2HA GLY 30 1.959 3.945 0.573 205 H ASP 31 H ASP 31 1.719 5.795 -1.574 206 HA ASP 31 HA ASP 31 3.673 4.759 -3.467 207 1HB ASP 31 1HB ASP 31 2.082 7.337 -3.748 208 2HB ASP 31 2HB ASP 31 2.908 6.448 -5.013 209 H CYS 32 H CYS 32 5.759 5.386 -2.882 210 HA CYS 32 HA CYS 32 6.077 7.763 -1.270 211 1HB CYS 32 1HB CYS 32 7.998 5.600 -2.141 212 2HB CYS 32 2HB CYS 32 8.493 7.020 -1.242 213 H CYS 33 H CYS 33 6.678 9.728 -2.141 214 HA CYS 33 HA CYS 33 7.392 9.714 -4.968 215 1HB CYS 33 1HB CYS 33 5.755 11.412 -3.302 216 2HB CYS 33 2HB CYS 33 7.010 12.358 -4.076 217 H ARG 34 H ARG 34 9.409 10.518 -5.647 218 HA ARG 34 HA ARG 34 11.071 11.638 -3.548 219 1HB ARG 34 1HB ARG 34 11.511 9.109 -4.152 220 2HB ARG 34 2HB ARG 34 12.212 9.735 -5.630 221 1HG ARG 34 1HG ARG 34 13.338 11.338 -3.591 222 2HG ARG 34 2HG ARG 34 13.319 9.724 -2.911 223 1HD ARG 34 1HD ARG 34 15.372 9.722 -4.057 224 2HD ARG 34 2HD ARG 34 14.315 8.983 -5.243 225 HE ARG 34 HE ARG 34 14.135 11.720 -5.771 226 1HH1 ARG 34 1HH1 ARG 34 16.778 9.365 -5.619 227 2HH1 ARG 34 2HH1 ARG 34 17.756 10.203 -6.779 228 1HH2 ARG 34 1HH2 ARG 34 16.941 12.235 -7.753 229 H GLY 35 H GLY 35 11.652 13.678 -4.224 230 1HA GLY 35 1HA GLY 35 12.165 15.406 -5.566 231 2HA GLY 35 2HA GLY 35 13.065 14.246 -6.523 232 H LYS 36 H LYS 36 12.175 13.376 -8.455 233 HA LYS 36 HA LYS 36 9.551 14.467 -9.187 234 1HB LYS 36 1HB LYS 36 10.402 14.888 -11.452 235 2HB LYS 36 2HB LYS 36 11.232 15.853 -10.249 236 1HG LYS 36 1HG LYS 36 13.158 14.333 -10.262 237 2HG LYS 36 2HG LYS 36 12.312 13.197 -11.295 238 1HD LYS 36 1HD LYS 36 12.225 14.906 -13.116 239 2HD LYS 36 2HD LYS 36 13.049 16.057 -12.081 240 1HE LYS 36 1HE LYS 36 14.803 13.966 -11.905 241 2HE LYS 36 2HE LYS 36 14.143 13.651 -13.498 242 1HZ LYS 36 1HZ LYS 36 14.882 15.736 -14.267 243 2HZ LYS 36 2HZ LYS 36 15.084 16.361 -12.777 244 H SER 37 H SER 37 9.848 11.973 -7.980 245 HA SER 37 HA SER 37 9.054 10.325 -10.197 246 1HB SER 37 1HB SER 37 11.534 9.878 -8.585 247 2HB SER 37 2HB SER 37 10.545 8.460 -8.873 248 HG SER 37 HG SER 37 12.026 8.640 -10.591 249 H ARG 38 H ARG 38 8.023 8.218 -9.350 250 HA ARG 38 HA ARG 38 7.287 8.383 -6.577 251 1HB ARG 38 1HB ARG 38 5.489 9.682 -7.578 252 2HB ARG 38 2HB ARG 38 5.291 8.530 -8.883 253 1HG ARG 38 1HG ARG 38 4.974 7.477 -6.083 254 2HG ARG 38 2HG ARG 38 3.708 8.531 -6.679 255 1HD ARG 38 1HD ARG 38 4.656 5.905 -7.906 256 2HD ARG 38 2HD ARG 38 3.072 6.258 -7.243 257 HE ARG 38 HE ARG 38 4.046 6.979 -9.904 258 1HH1 ARG 38 1HH1 ARG 38 1.714 7.826 -7.375 259 2HH1 ARG 38 2HH1 ARG 38 0.624 8.610 -8.469 260 1HH2 ARG 38 1HH2 ARG 38 1.170 8.708 -10.801 261 H LEU 39 H LEU 39 6.501 6.314 -5.739 262 HA LEU 39 HA LEU 39 6.277 4.122 -7.601 263 1HB LEU 39 1HB LEU 39 8.010 2.883 -6.044 264 2HB LEU 39 2HB LEU 39 8.488 3.738 -7.497 265 HG LEU 39 HG LEU 39 8.526 5.581 -5.292 266 1HD1 LEU 39 1HD1 LEU 39 10.484 3.390 -4.752 267 2HD1 LEU 39 2HD1 LEU 39 9.801 4.619 -3.659 268 3HD1 LEU 39 3HD1 LEU 39 8.819 3.217 -4.147 269 1HD2 LEU 39 1HD2 LEU 39 9.940 5.093 -7.607 270 2HD2 LEU 39 2HD2 LEU 39 10.352 6.294 -6.360 271 3HD2 LEU 39 3HD2 LEU 39 11.111 4.684 -6.331 272 H THR 40 H THR 40 5.083 2.383 -6.735 273 HA THR 40 HA THR 40 4.039 2.901 -4.028 274 HB THR 40 HB THR 40 2.596 1.559 -6.367 275 HG1 THR 40 1HG THR 40 2.104 3.655 -6.959 276 1HG2 THR 40 1HG2 THR 40 1.664 1.230 -4.018 277 2HG2 THR 40 2HG2 THR 40 1.556 3.001 -3.874 278 3HG2 THR 40 3HG2 THR 40 0.579 2.146 -5.092 279 H LEU 41 H LEU 41 4.530 1.439 -2.528 280 HA LEU 41 HA LEU 41 4.668 -1.340 -3.296 281 1HB LEU 41 1HB LEU 41 7.038 -0.433 -1.776 282 2HB LEU 41 2HB LEU 41 6.858 -1.748 -2.918 283 HG LEU 41 HG LEU 41 6.804 1.100 -3.885 284 1HD1 LEU 41 1HD1 LEU 41 9.260 -0.513 -3.171 285 2HD1 LEU 41 2HD1 LEU 41 9.282 0.873 -4.287 286 3HD1 LEU 41 3HD1 LEU 41 8.795 1.104 -2.592 287 1HD2 LEU 41 1HD2 LEU 41 6.518 -1.377 -5.129 288 2HD2 LEU 41 2HD2 LEU 41 6.811 0.194 -5.915 289 3HD2 LEU 41 3HD2 LEU 41 8.180 -0.871 -5.514 290 H CYS 42 H CYS 42 5.541 -2.503 -1.007 291 HA CYS 42 HA CYS 42 3.742 -1.333 0.988 292 1HB CYS 42 1HB CYS 42 4.522 -4.239 0.872 293 2HB CYS 42 2HB CYS 42 3.206 -3.493 1.758 294 H SER 43 H SER 43 4.746 -0.612 2.842 295 HA SER 43 HA SER 43 7.008 -2.002 3.842 296 1HB SER 43 1HB SER 43 7.442 0.271 2.114 297 2HB SER 43 2HB SER 43 7.913 0.725 3.740 298 HG SER 43 HG SER 43 8.772 -1.834 2.864 299 H TYR 44 H TYR 44 7.325 -1.538 6.087 300 HA TYR 44 HA TYR 44 5.209 0.138 7.222 301 1HB TYR 44 1HB TYR 44 7.171 -1.884 8.469 302 2HB TYR 44 2HB TYR 44 5.728 -1.256 9.240 303 HD1 TYR 44 1HD TYR 44 3.623 -2.310 8.941 304 HD2 TYR 44 2HD TYR 44 6.910 -3.389 6.424 305 HE1 TYR 44 1HE TYR 44 2.291 -4.274 8.030 306 HE2 TYR 44 2HE TYR 44 5.566 -5.349 5.522 307 HH TYR 44 HH TYR 44 2.518 -6.254 6.949 308 H GLY 45 H GLY 45 5.912 1.134 9.463 309 1HA GLY 45 1HA GLY 45 8.573 1.847 9.939 310 2HA GLY 45 2HA GLY 45 7.866 3.089 8.927 311 H GLU 46 H GLU 46 7.258 1.186 11.950 312 HA GLU 46 HA GLU 46 6.831 3.423 13.481 313 1HB GLU 46 1HB GLU 46 4.416 3.482 13.799 314 2HB GLU 46 2HB GLU 46 4.764 3.693 12.094 315 1HG GLU 46 1HG GLU 46 3.803 1.686 11.508 316 2HG GLU 46 2HG GLU 46 4.426 0.854 12.918 317 H GLY 47 H GLY 47 6.204 2.844 15.734 318 1HA GLY 47 1HA GLY 47 7.093 0.177 16.372 319 2HA GLY 47 2HA GLY 47 6.686 1.470 17.482 320 H GLY 48 H GLY 48 4.774 -0.133 14.838 321 1HA GLY 48 1HA GLY 48 3.112 -1.588 16.625 322 2HA GLY 48 2HA GLY 48 2.338 -0.089 16.151 323 H ASN 49 H ASN 49 1.368 0.081 14.136 324 HA ASN 49 HA ASN 49 2.152 -1.794 12.108 325 1HB ASN 49 1HB ASN 49 -0.378 -1.988 13.663 326 2HB ASN 49 2HB ASN 49 -0.635 -1.962 11.930 327 1HD2 ASN 49 1HD2 ASN 49 0.236 -3.794 14.619 328 2HD2 ASN 49 2HD2 ASN 49 0.764 -5.247 13.837 329 H GLY 50 H GLY 50 2.574 -0.221 10.527 330 1HA GLY 50 1HA GLY 50 0.422 1.285 9.429 331 2HA GLY 50 2HA GLY 50 1.485 2.311 10.372 332 H PHE 51 H PHE 51 1.283 2.794 7.656 333 HA PHE 51 HA PHE 51 3.583 1.472 6.445 334 1HB PHE 51 1HB PHE 51 1.423 1.643 5.190 335 2HB PHE 51 2HB PHE 51 1.366 3.372 5.473 336 HD1 PHE 51 1HD PHE 51 2.702 4.892 4.156 337 HD2 PHE 51 2HD PHE 51 2.992 0.702 3.556 338 HE1 PHE 51 1HE PHE 51 3.916 5.287 1.995 339 HE2 PHE 51 2HE PHE 51 4.206 1.096 1.395 340 HZ PHE 51 HZ PHE 51 4.654 3.383 0.641 341 H GLN 52 H GLN 52 5.342 2.683 5.521 342 HA GLN 52 HA GLN 52 5.392 5.499 6.067 343 1HB GLN 52 1HB GLN 52 6.304 4.024 8.108 344 2HB GLN 52 2HB GLN 52 7.750 3.947 7.122 345 1HG GLN 52 1HG GLN 52 8.231 5.913 8.233 346 2HG GLN 52 2HG GLN 52 7.305 6.603 6.915 347 1HE2 GLN 52 1HE2 GLN 52 7.581 7.892 9.313 348 2HE2 GLN 52 2HE2 GLN 52 6.068 7.965 10.153 349 H CYS 53 H CYS 53 7.249 6.583 4.969 350 HA CYS 53 HA CYS 53 7.931 5.089 2.587 351 1HB CYS 53 1HB CYS 53 7.792 7.959 3.341 352 2HB CYS 53 2HB CYS 53 8.997 7.517 2.148 353 HA PRO 54 HA PRO 54 12.036 4.488 3.918 354 1HB PRO 54 1HB PRO 54 13.381 4.296 1.547 355 2HB PRO 54 2HB PRO 54 12.454 2.977 2.232 356 1HG PRO 54 1HG PRO 54 11.766 4.743 -0.037 357 2HG PRO 54 2HG PRO 54 11.083 3.186 0.389 358 1HD PRO 54 1HD PRO 54 9.891 5.759 0.820 359 2HD PRO 54 2HD PRO 54 9.262 4.211 1.349 360 H THR 55 H THR 55 14.338 5.265 3.908 361 HA THR 55 HA THR 55 14.249 8.065 4.255 362 HB THR 55 HB THR 55 16.479 5.976 4.127 363 HG1 THR 55 1HG THR 55 15.907 5.904 6.277 364 1HG2 THR 55 1HG2 THR 55 17.698 7.829 5.507 365 2HG2 THR 55 2HG2 THR 55 17.663 8.033 3.739 366 3HG2 THR 55 3HG2 THR 55 16.541 8.960 4.765 367 H GLY 56 H GLY 56 14.531 9.734 2.906 368 1HA GLY 56 1HA GLY 56 15.606 10.801 1.123 369 2HA GLY 56 2HA GLY 56 15.932 9.252 0.372 370 H TYR 57 H TYR 57 12.838 8.848 1.452 371 HA TYR 57 HA TYR 57 11.722 9.897 -1.061 372 1HB TYR 57 1HB TYR 57 11.283 7.447 0.728 373 2HB TYR 57 2HB TYR 57 10.012 7.949 -0.368 374 HD1 TYR 57 1HD TYR 57 10.112 7.440 -2.697 375 HD2 TYR 57 2HD TYR 57 13.528 6.758 -0.214 376 HE1 TYR 57 1HE TYR 57 11.225 6.136 -4.574 377 HE2 TYR 57 2HE TYR 57 14.631 5.457 -2.099 378 HH TYR 57 HH TYR 57 13.806 4.136 -4.094 379 H ARG 58 H ARG 58 9.129 9.973 -0.779 380 HA ARG 58 HA ARG 58 8.476 10.972 1.836 381 1HB ARG 58 1HB ARG 58 8.640 12.659 -0.659 382 2HB ARG 58 2HB ARG 58 7.304 12.974 0.430 383 1HG ARG 58 1HG ARG 58 8.662 13.863 2.058 384 2HG ARG 58 2HG ARG 58 9.922 12.672 1.804 385 1HD ARG 58 1HD ARG 58 11.114 14.135 0.541 386 2HD ARG 58 2HD ARG 58 9.765 14.345 -0.557 387 HE ARG 58 HE ARG 58 9.131 15.846 1.750 388 1HH1 ARG 58 1HH1 ARG 58 11.641 15.867 -0.750 389 2HH1 ARG 58 2HH1 ARG 58 11.917 17.573 -0.634 390 1HH2 ARG 58 1HH2 ARG 58 10.644 18.864 0.934 391 H GLN 59 H GLN 59 5.942 11.874 1.546 392 HA GLN 59 HA GLN 59 4.618 9.559 0.471 393 1HB GLN 59 1HB GLN 59 4.025 11.644 2.494 394 2HB GLN 59 2HB GLN 59 2.635 11.177 1.535 395 1HG GLN 59 1HG GLN 59 4.335 8.916 2.505 396 2HG GLN 59 2HG GLN 59 3.495 9.809 3.756 397 1HE2 GLN 59 1HE2 GLN 59 2.938 8.462 0.507 398 2HE2 GLN 59 2HE2 GLN 59 1.349 7.836 0.797 399 H CYS 60 H CYS 60 3.629 9.521 -1.505 400 HA CYS 60 HA CYS 60 3.588 11.946 -3.026 401 1HB CYS 60 1HB CYS 60 3.989 9.352 -3.686 402 2HB CYS 60 2HB CYS 60 2.292 9.506 -4.091 Start of MODEL 14 1 1H ASP 1 1H ASP 1 -21.013 -1.129 -0.366 2 HA ASP 1 HA ASP 1 -23.147 -1.793 -0.708 3 1HB ASP 1 1HB ASP 1 -22.376 -1.309 -3.504 4 2HB ASP 1 2HB ASP 1 -23.304 -2.788 -3.353 5 H ARG 2 H ARG 2 -20.426 -3.237 -2.614 6 HA ARG 2 HA ARG 2 -20.966 -5.733 -1.257 7 1HB ARG 2 1HB ARG 2 -20.123 -5.862 -4.155 8 2HB ARG 2 2HB ARG 2 -21.021 -7.039 -3.218 9 1HG ARG 2 1HG ARG 2 -22.760 -6.180 -4.494 10 2HG ARG 2 2HG ARG 2 -22.858 -5.092 -3.123 11 1HD ARG 2 1HD ARG 2 -22.901 -3.712 -5.112 12 2HD ARG 2 2HD ARG 2 -21.327 -3.484 -4.377 13 HE ARG 2 HE ARG 2 -21.001 -5.625 -6.168 14 1HH1 ARG 2 1HH1 ARG 2 -21.963 -2.223 -6.401 15 2HH1 ARG 2 2HH1 ARG 2 -21.366 -2.036 -8.016 16 1HH2 ARG 2 1HH2 ARG 2 -20.341 -3.905 -9.112 17 H CYS 3 H CYS 3 -19.014 -7.206 -1.266 18 HA CYS 3 HA CYS 3 -16.753 -6.013 -0.469 19 1HB CYS 3 1HB CYS 3 -17.157 -8.377 -0.199 20 2HB CYS 3 2HB CYS 3 -17.037 -8.645 -1.927 21 H ARG 4 H ARG 4 -14.839 -5.198 -1.444 22 HA ARG 4 HA ARG 4 -15.188 -4.511 -4.206 23 1HB ARG 4 1HB ARG 4 -12.785 -3.751 -2.507 24 2HB ARG 4 2HB ARG 4 -13.490 -2.863 -3.843 25 1HG ARG 4 1HG ARG 4 -15.621 -2.654 -2.357 26 2HG ARG 4 2HG ARG 4 -14.611 -3.197 -1.032 27 1HD ARG 4 1HD ARG 4 -13.569 -1.171 -0.852 28 2HD ARG 4 2HD ARG 4 -13.303 -1.059 -2.580 29 HE ARG 4 HE ARG 4 -16.097 -0.649 -2.001 30 1HH1 ARG 4 1HH1 ARG 4 -12.962 0.986 -1.768 31 2HH1 ARG 4 2HH1 ARG 4 -13.646 2.575 -1.850 32 1HH2 ARG 4 1HH2 ARG 4 -16.021 2.824 -2.051 33 H TYR 5 H TYR 5 -12.087 -4.238 -4.370 34 HA TYR 5 HA TYR 5 -10.930 -6.763 -4.139 35 1HB TYR 5 1HB TYR 5 -12.599 -7.354 -5.905 36 2HB TYR 5 2HB TYR 5 -12.176 -5.925 -6.827 37 HD1 TYR 5 1HD TYR 5 -10.399 -5.961 -8.405 38 HD2 TYR 5 2HD TYR 5 -10.883 -9.220 -5.676 39 HE1 TYR 5 1HE TYR 5 -8.687 -7.317 -9.707 40 HE2 TYR 5 2HE TYR 5 -9.170 -10.564 -6.987 41 HH TYR 5 HH TYR 5 -7.179 -9.128 -9.349 42 H THR 6 H THR 6 -8.964 -5.884 -3.635 43 HA THR 6 HA THR 6 -7.676 -4.321 -5.739 44 HB THR 6 HB THR 6 -7.520 -3.432 -2.834 45 HG1 THR 6 1HG THR 6 -9.351 -2.049 -3.433 46 1HG2 THR 6 1HG2 THR 6 -7.673 -1.311 -4.766 47 2HG2 THR 6 2HG2 THR 6 -6.266 -1.775 -3.779 48 3HG2 THR 6 3HG2 THR 6 -6.501 -2.498 -5.388 49 H LEU 7 H LEU 7 -5.264 -4.087 -5.276 50 HA LEU 7 HA LEU 7 -4.353 -6.716 -4.492 51 1HB LEU 7 1HB LEU 7 -3.104 -4.356 -5.877 52 2HB LEU 7 2HB LEU 7 -2.135 -5.699 -5.303 53 HG LEU 7 HG LEU 7 -4.389 -6.664 -6.857 54 1HD1 LEU 7 1HD1 LEU 7 -4.535 -4.931 -8.299 55 2HD1 LEU 7 2HD1 LEU 7 -2.900 -4.334 -7.932 56 3HD1 LEU 7 3HD1 LEU 7 -3.117 -5.717 -9.032 57 1HD2 LEU 7 1HD2 LEU 7 -2.145 -7.351 -8.238 58 2HD2 LEU 7 2HD2 LEU 7 -1.477 -7.059 -6.614 59 3HD2 LEU 7 3HD2 LEU 7 -2.790 -8.240 -6.836 60 H CYS 8 H CYS 8 -4.338 -6.964 -2.286 61 HA CYS 8 HA CYS 8 -3.204 -4.784 -0.726 62 1HB CYS 8 1HB CYS 8 -4.603 -7.298 0.211 63 2HB CYS 8 2HB CYS 8 -4.081 -5.963 1.220 64 H CYS 9 H CYS 9 -1.600 -5.454 1.036 65 HA CYS 9 HA CYS 9 0.229 -7.404 -0.118 66 1HB CYS 9 1HB CYS 9 0.530 -4.974 1.567 67 2HB CYS 9 2HB CYS 9 1.660 -6.281 1.863 68 H ASP 10 H ASP 10 1.022 -9.176 1.163 69 HA ASP 10 HA ASP 10 -0.811 -9.916 3.238 70 1HB ASP 10 1HB ASP 10 -0.340 -11.764 1.888 71 2HB ASP 10 2HB ASP 10 1.313 -11.263 1.592 72 H GLY 11 H GLY 11 2.223 -8.316 2.881 73 1HA GLY 11 1HA GLY 11 3.481 -7.377 4.552 74 2HA GLY 11 2HA GLY 11 2.697 -8.396 5.744 75 H ALA 12 H ALA 12 3.168 -10.857 3.944 76 HA ALA 12 HA ALA 12 6.052 -11.067 3.961 77 1HB ALA 12 1HB ALA 12 6.067 -12.996 5.474 78 2HB ALA 12 2HB ALA 12 5.392 -11.574 6.305 79 3HB ALA 12 3HB ALA 12 4.308 -12.853 5.705 80 H LEU 13 H LEU 13 5.211 -11.063 1.630 81 HA LEU 13 HA LEU 13 5.399 -13.595 0.579 82 1HB LEU 13 1HB LEU 13 3.340 -14.266 1.439 83 2HB LEU 13 2HB LEU 13 2.575 -12.726 1.101 84 HG LEU 13 HG LEU 13 3.252 -13.562 -1.427 85 1HD1 LEU 13 1HD1 LEU 13 3.252 -15.792 -1.706 86 2HD1 LEU 13 2HD1 LEU 13 3.754 -15.816 0.003 87 3HD1 LEU 13 3HD1 LEU 13 2.044 -16.063 -0.427 88 1HD2 LEU 13 1HD2 LEU 13 0.671 -14.572 -0.977 89 2HD2 LEU 13 2HD2 LEU 13 0.871 -13.227 0.172 90 3HD2 LEU 13 3HD2 LEU 13 1.122 -12.955 -1.569 91 H LYS 14 H LYS 14 2.826 -11.458 -0.639 92 HA LYS 14 HA LYS 14 4.408 -9.648 -2.019 93 1HB LYS 14 1HB LYS 14 4.318 -10.571 -4.313 94 2HB LYS 14 2HB LYS 14 5.363 -11.485 -3.244 95 1HG LYS 14 1HG LYS 14 4.142 -13.370 -3.562 96 2HG LYS 14 2HG LYS 14 2.671 -12.559 -3.065 97 1HD LYS 14 1HD LYS 14 3.521 -11.703 -5.749 98 2HD LYS 14 2HD LYS 14 3.301 -13.439 -5.668 99 1HE LYS 14 1HE LYS 14 1.077 -12.475 -4.268 100 2HE LYS 14 2HE LYS 14 1.278 -11.281 -5.536 101 1HZ LYS 14 1HZ LYS 14 0.798 -14.175 -5.846 102 2HZ LYS 14 2HZ LYS 14 -0.004 -12.938 -6.538 103 H ALA 15 H ALA 15 3.079 -8.024 -2.724 104 HA ALA 15 HA ALA 15 0.475 -7.905 -2.000 105 1HB ALA 15 1HB ALA 15 2.313 -6.434 -3.734 106 2HB ALA 15 2HB ALA 15 0.635 -6.343 -4.323 107 3HB ALA 15 3HB ALA 15 1.027 -5.825 -2.666 108 H VAL 16 H VAL 16 -1.392 -8.874 -2.619 109 HA VAL 16 HA VAL 16 -1.561 -9.836 -5.374 110 HB VAL 16 HB VAL 16 -0.793 -11.681 -3.908 111 1HG1 VAL 16 1HG1 VAL 16 -1.863 -11.015 -1.817 112 2HG1 VAL 16 2HG1 VAL 16 -3.471 -11.283 -2.532 113 3HG1 VAL 16 3HG1 VAL 16 -2.370 -12.657 -2.277 114 1HG2 VAL 16 1HG2 VAL 16 -2.253 -13.317 -4.812 115 2HG2 VAL 16 2HG2 VAL 16 -3.626 -12.185 -4.850 116 3HG2 VAL 16 3HG2 VAL 16 -2.262 -11.966 -5.972 117 H SER 17 H SER 17 -3.892 -10.356 -5.960 118 HA SER 17 HA SER 17 -5.470 -8.191 -5.079 119 1HB SER 17 1HB SER 17 -7.226 -9.599 -6.546 120 2HB SER 17 2HB SER 17 -5.956 -8.644 -7.285 121 HG SER 17 HG SER 17 -4.810 -10.451 -7.800 122 H ALA 18 H ALA 18 -7.186 -8.167 -3.609 123 HA ALA 18 HA ALA 18 -8.104 -10.744 -2.586 124 1HB ALA 18 1HB ALA 18 -6.257 -9.105 -1.228 125 2HB ALA 18 2HB ALA 18 -7.826 -8.783 -0.453 126 3HB ALA 18 3HB ALA 18 -7.205 -10.449 -0.545 127 H CYS 19 H CYS 19 -10.209 -10.549 -1.442 128 HA CYS 19 HA CYS 19 -11.683 -8.268 -2.529 129 1HB CYS 19 1HB CYS 19 -12.332 -10.544 -3.307 130 2HB CYS 19 2HB CYS 19 -12.752 -10.960 -1.658 131 H LEU 20 H LEU 20 -11.879 -6.694 -0.963 132 HA LEU 20 HA LEU 20 -12.640 -7.616 1.716 133 1HB LEU 20 1HB LEU 20 -10.728 -6.872 2.512 134 2HB LEU 20 2HB LEU 20 -10.245 -6.254 0.945 135 HG LEU 20 HG LEU 20 -12.091 -4.689 2.749 136 1HD1 LEU 20 1HD1 LEU 20 -9.178 -5.151 3.041 137 2HD1 LEU 20 2HD1 LEU 20 -9.724 -3.460 3.157 138 3HD1 LEU 20 3HD1 LEU 20 -10.404 -4.692 4.247 139 1HD2 LEU 20 1HD2 LEU 20 -10.138 -3.692 0.667 140 2HD2 LEU 20 2HD2 LEU 20 -11.829 -4.114 0.300 141 3HD2 LEU 20 3HD2 LEU 20 -11.468 -2.807 1.454 142 H HIS 21 H HIS 21 -13.884 -5.966 2.954 143 HA HIS 21 HA HIS 21 -15.613 -4.556 1.100 144 1HB HIS 21 1HB HIS 21 -16.070 -4.813 4.064 145 2HB HIS 21 2HB HIS 21 -17.245 -4.582 2.785 146 HD1 HIS 21 1HD HIS 21 -17.579 -6.742 1.125 147 HD2 HIS 21 2HD HIS 21 -15.664 -7.437 4.792 148 HE1 HIS 21 1HE HIS 21 -17.693 -9.260 1.525 149 H GLU 22 H GLU 22 -16.506 -2.355 2.044 150 HA GLU 22 HA GLU 22 -14.278 -0.665 2.169 151 1HB GLU 22 1HB GLU 22 -17.017 -0.415 1.598 152 2HB GLU 22 2HB GLU 22 -16.809 0.553 3.043 153 1HG GLU 22 1HG GLU 22 -14.567 1.224 1.483 154 2HG GLU 22 2HG GLU 22 -15.850 1.059 0.300 155 H SER 23 H SER 23 -16.407 -2.164 4.587 156 HA SER 23 HA SER 23 -15.558 -0.423 6.664 157 1HB SER 23 1HB SER 23 -17.567 -2.453 6.276 158 2HB SER 23 2HB SER 23 -16.638 -2.886 7.698 159 HG SER 23 HG SER 23 -17.955 -0.353 7.206 160 H GLU 24 H GLU 24 -13.848 -2.593 4.911 161 HA GLU 24 HA GLU 24 -12.334 -3.443 7.255 162 1HB GLU 24 1HB GLU 24 -13.632 -5.261 5.879 163 2HB GLU 24 2HB GLU 24 -12.384 -5.031 4.671 164 1HG GLU 24 1HG GLU 24 -10.990 -5.245 7.138 165 2HG GLU 24 2HG GLU 24 -12.243 -6.469 7.215 166 H SER 25 H SER 25 -9.973 -3.594 6.930 167 HA SER 25 HA SER 25 -9.073 -2.211 4.541 168 1HB SER 25 1HB SER 25 -9.206 -0.980 7.058 169 2HB SER 25 2HB SER 25 -7.531 -1.482 6.944 170 HG SER 25 HG SER 25 -8.923 0.016 4.890 171 H CYS 26 H CYS 26 -7.278 -3.195 3.627 172 HA CYS 26 HA CYS 26 -6.060 -5.311 5.234 173 1HB CYS 26 1HB CYS 26 -5.217 -6.010 2.864 174 2HB CYS 26 2HB CYS 26 -6.835 -6.415 3.403 175 H LEU 27 H LEU 27 -3.617 -5.680 4.289 176 HA LEU 27 HA LEU 27 -2.224 -3.327 5.010 177 1HB LEU 27 1HB LEU 27 -1.693 -5.959 5.115 178 2HB LEU 27 2HB LEU 27 -0.820 -5.557 3.649 179 HG LEU 27 HG LEU 27 0.304 -3.693 5.018 180 1HD1 LEU 27 1HD1 LEU 27 -0.925 -5.311 7.261 181 2HD1 LEU 27 2HD1 LEU 27 0.437 -4.184 7.470 182 3HD1 LEU 27 3HD1 LEU 27 -1.142 -3.578 6.915 183 1HD2 LEU 27 1HD2 LEU 27 1.040 -6.416 6.043 184 2HD2 LEU 27 2HD2 LEU 27 1.194 -6.040 4.310 185 3HD2 LEU 27 3HD2 LEU 27 2.084 -5.076 5.513 186 H VAL 28 H VAL 28 -3.218 -1.821 3.433 187 HA VAL 28 HA VAL 28 -2.668 -2.212 0.665 188 HB VAL 28 HB VAL 28 -4.474 -0.794 2.049 189 1HG1 VAL 28 1HG1 VAL 28 -2.388 0.765 2.617 190 2HG1 VAL 28 2HG1 VAL 28 -2.808 1.474 1.039 191 3HG1 VAL 28 3HG1 VAL 28 -4.017 1.432 2.345 192 1HG2 VAL 28 1HG2 VAL 28 -5.301 -0.293 0.007 193 2HG2 VAL 28 2HG2 VAL 28 -3.794 0.492 -0.527 194 3HG2 VAL 28 3HG2 VAL 28 -3.942 -1.281 -0.580 195 HA PRO 29 HA PRO 29 1.310 -0.525 0.562 196 1HB PRO 29 1HB PRO 29 1.487 0.257 -2.050 197 2HB PRO 29 2HB PRO 29 1.706 -1.402 -1.530 198 1HG PRO 29 1HG PRO 29 -0.614 -0.179 -2.896 199 2HG PRO 29 2HG PRO 29 -0.193 -1.875 -2.751 200 1HD PRO 29 1HD PRO 29 -2.216 -0.475 -1.276 201 2HD PRO 29 2HD PRO 29 -1.717 -2.140 -1.050 202 H GLY 30 H GLY 30 2.514 1.529 -0.704 203 1HA GLY 30 1HA GLY 30 0.855 3.879 -0.170 204 2HA GLY 30 2HA GLY 30 2.295 3.666 0.806 205 H ASP 31 H ASP 31 1.442 5.634 -1.449 206 HA ASP 31 HA ASP 31 3.411 5.038 -3.445 207 1HB ASP 31 1HB ASP 31 1.609 7.478 -3.068 208 2HB ASP 31 2HB ASP 31 2.587 7.162 -4.488 209 H CYS 32 H CYS 32 5.540 5.502 -2.831 210 HA CYS 32 HA CYS 32 6.000 7.692 -1.002 211 1HB CYS 32 1HB CYS 32 7.642 5.415 -2.048 212 2HB CYS 32 2HB CYS 32 8.451 6.822 -1.387 213 H CYS 33 H CYS 33 6.487 9.728 -1.751 214 HA CYS 33 HA CYS 33 7.269 9.929 -4.558 215 1HB CYS 33 1HB CYS 33 5.769 11.720 -2.692 216 2HB CYS 33 2HB CYS 33 6.687 12.446 -3.996 217 H ARG 34 H ARG 34 9.164 11.149 -5.117 218 HA ARG 34 HA ARG 34 10.651 12.299 -2.955 219 1HB ARG 34 1HB ARG 34 11.674 10.181 -2.746 220 2HB ARG 34 2HB ARG 34 11.501 9.812 -4.451 221 1HG ARG 34 1HG ARG 34 13.880 10.304 -3.764 222 2HG ARG 34 2HG ARG 34 13.298 11.336 -5.055 223 1HD ARG 34 1HD ARG 34 13.943 13.104 -3.771 224 2HD ARG 34 2HD ARG 34 12.561 12.754 -2.752 225 HE ARG 34 HE ARG 34 14.358 11.034 -1.693 226 1HH1 ARG 34 1HH1 ARG 34 14.783 14.418 -2.652 227 2HH1 ARG 34 2HH1 ARG 34 16.020 14.725 -1.478 228 1HH2 ARG 34 1HH2 ARG 34 16.713 12.957 -0.015 229 H GLY 35 H GLY 35 11.631 14.176 -3.697 230 1HA GLY 35 1HA GLY 35 12.158 15.824 -5.142 231 2HA GLY 35 2HA GLY 35 13.038 14.570 -5.993 232 H LYS 36 H LYS 36 12.254 13.732 -7.951 233 HA LYS 36 HA LYS 36 9.635 14.752 -8.792 234 1HB LYS 36 1HB LYS 36 10.542 15.205 -11.015 235 2HB LYS 36 2HB LYS 36 11.347 16.167 -9.792 236 1HG LYS 36 1HG LYS 36 13.299 14.726 -9.806 237 2HG LYS 36 2HG LYS 36 12.475 13.503 -10.751 238 1HD LYS 36 1HD LYS 36 13.778 14.603 -12.379 239 2HD LYS 36 2HD LYS 36 12.213 15.368 -12.573 240 1HE LYS 36 1HE LYS 36 12.910 17.381 -11.602 241 2HE LYS 36 2HE LYS 36 14.115 16.607 -10.593 242 1HZ LYS 36 1HZ LYS 36 14.326 17.317 -13.441 243 2HZ LYS 36 2HZ LYS 36 15.394 17.598 -12.243 244 H SER 37 H SER 37 9.684 12.344 -7.602 245 HA SER 37 HA SER 37 9.093 10.646 -9.807 246 1HB SER 37 1HB SER 37 11.491 10.161 -8.043 247 2HB SER 37 2HB SER 37 10.560 8.774 -8.573 248 HG SER 37 HG SER 37 10.808 9.973 -10.814 249 H ARG 38 H ARG 38 7.915 8.655 -9.064 250 HA ARG 38 HA ARG 38 7.246 8.642 -6.274 251 1HB ARG 38 1HB ARG 38 5.540 10.174 -7.100 252 2HB ARG 38 2HB ARG 38 5.205 9.157 -8.486 253 1HG ARG 38 1HG ARG 38 4.885 7.902 -5.771 254 2HG ARG 38 2HG ARG 38 3.693 9.101 -6.235 255 1HD ARG 38 1HD ARG 38 4.387 6.524 -7.714 256 2HD ARG 38 2HD ARG 38 2.863 6.931 -6.951 257 HE ARG 38 HE ARG 38 3.832 7.893 -9.559 258 1HH1 ARG 38 1HH1 ARG 38 1.491 8.377 -6.944 259 2HH1 ARG 38 2HH1 ARG 38 0.381 9.264 -7.934 260 1HH2 ARG 38 1HH2 ARG 38 0.918 9.657 -10.237 261 H LEU 39 H LEU 39 6.364 6.570 -5.592 262 HA LEU 39 HA LEU 39 5.855 4.588 -7.622 263 1HB LEU 39 1HB LEU 39 7.545 3.033 -6.841 264 2HB LEU 39 2HB LEU 39 8.254 4.480 -7.528 265 HG LEU 39 HG LEU 39 8.593 5.341 -5.183 266 1HD1 LEU 39 1HD1 LEU 39 8.690 3.164 -3.580 267 2HD1 LEU 39 2HD1 LEU 39 7.318 4.296 -3.648 268 3HD1 LEU 39 3HD1 LEU 39 7.262 2.773 -4.567 269 1HD2 LEU 39 1HD2 LEU 39 10.679 4.556 -5.283 270 2HD2 LEU 39 2HD2 LEU 39 10.147 2.863 -5.138 271 3HD2 LEU 39 3HD2 LEU 39 10.143 3.663 -6.728 272 H THR 40 H THR 40 4.749 2.723 -6.761 273 HA THR 40 HA THR 40 3.757 3.194 -4.026 274 HB THR 40 HB THR 40 2.345 3.231 -6.432 275 HG1 THR 40 1HG THR 40 0.574 2.694 -4.708 276 1HG2 THR 40 1HG2 THR 40 2.587 0.729 -6.655 277 2HG2 THR 40 2HG2 THR 40 1.894 0.546 -5.026 278 3HG2 THR 40 3HG2 THR 40 0.903 1.215 -6.344 279 H LEU 41 H LEU 41 4.571 1.822 -2.583 280 HA LEU 41 HA LEU 41 4.682 -0.984 -3.340 281 1HB LEU 41 1HB LEU 41 7.054 0.376 -2.069 282 2HB LEU 41 2HB LEU 41 6.926 -1.291 -2.595 283 HG LEU 41 HG LEU 41 6.597 0.902 -4.617 284 1HD1 LEU 41 1HD1 LEU 41 8.729 1.125 -3.043 285 2HD1 LEU 41 2HD1 LEU 41 9.350 -0.135 -4.135 286 3HD1 LEU 41 3HD1 LEU 41 8.806 1.425 -4.796 287 1HD2 LEU 41 1HD2 LEU 41 7.676 -1.927 -4.710 288 2HD2 LEU 41 2HD2 LEU 41 6.132 -1.333 -5.367 289 3HD2 LEU 41 3HD2 LEU 41 7.670 -0.798 -6.086 290 H CYS 42 H CYS 42 5.661 -2.106 -1.067 291 HA CYS 42 HA CYS 42 3.826 -1.041 0.951 292 1HB CYS 42 1HB CYS 42 4.776 -3.879 0.511 293 2HB CYS 42 2HB CYS 42 3.789 -3.352 1.860 294 H SER 43 H SER 43 4.785 -0.233 2.794 295 HA SER 43 HA SER 43 7.220 -1.401 3.710 296 1HB SER 43 1HB SER 43 8.171 0.192 2.139 297 2HB SER 43 2HB SER 43 7.130 1.476 2.719 298 HG SER 43 HG SER 43 9.558 0.588 3.721 299 H TYR 44 H TYR 44 6.015 -1.904 5.609 300 HA TYR 44 HA TYR 44 4.914 0.402 7.053 301 1HB TYR 44 1HB TYR 44 4.618 -2.539 7.794 302 2HB TYR 44 2HB TYR 44 3.449 -1.251 8.014 303 HD1 TYR 44 1HD TYR 44 1.953 -0.579 6.196 304 HD2 TYR 44 2HD TYR 44 4.816 -3.711 5.649 305 HE1 TYR 44 1HE TYR 44 0.753 -1.316 4.079 306 HE2 TYR 44 2HE TYR 44 3.607 -4.437 3.534 307 HH TYR 44 HH TYR 44 0.853 -2.584 2.306 308 H GLY 45 H GLY 45 5.122 0.242 9.517 309 1HA GLY 45 1HA GLY 45 7.648 -1.039 10.321 310 2HA GLY 45 2HA GLY 45 7.427 0.681 10.570 311 H GLU 46 H GLU 46 7.676 -1.717 12.483 312 HA GLU 46 HA GLU 46 5.291 -2.293 13.661 313 1HB GLU 46 1HB GLU 46 8.057 -1.974 14.901 314 2HB GLU 46 2HB GLU 46 6.695 -2.673 15.755 315 1HG GLU 46 1HG GLU 46 7.833 -3.717 13.117 316 2HG GLU 46 2HG GLU 46 8.147 -4.416 14.693 317 H GLY 47 H GLY 47 4.198 -1.459 15.589 318 1HA GLY 47 1HA GLY 47 3.297 0.182 16.829 319 2HA GLY 47 2HA GLY 47 4.902 0.878 16.932 320 H GLY 48 H GLY 48 1.939 0.704 14.887 321 1HA GLY 48 1HA GLY 48 1.242 3.114 14.382 322 2HA GLY 48 2HA GLY 48 2.775 3.188 13.535 323 H ASN 49 H ASN 49 -0.545 2.392 13.281 324 HA ASN 49 HA ASN 49 -0.165 0.501 11.163 325 1HB ASN 49 1HB ASN 49 -2.753 1.870 12.052 326 2HB ASN 49 2HB ASN 49 -2.622 0.392 11.120 327 1HD2 ASN 49 1HD2 ASN 49 -4.029 0.713 13.545 328 2HD2 ASN 49 2HD2 ASN 49 -3.325 -0.311 14.752 329 H GLY 50 H GLY 50 1.130 2.210 9.877 330 1HA GLY 50 1HA GLY 50 -0.610 3.515 7.991 331 2HA GLY 50 2HA GLY 50 0.270 4.636 9.010 332 H PHE 51 H PHE 51 0.441 3.775 6.021 333 HA PHE 51 HA PHE 51 2.547 2.350 5.305 334 1HB PHE 51 1HB PHE 51 1.039 3.906 3.920 335 2HB PHE 51 2HB PHE 51 1.996 5.264 4.477 336 HD1 PHE 51 1HD PHE 51 3.035 6.073 2.562 337 HD2 PHE 51 2HD PHE 51 3.140 1.904 3.346 338 HE1 PHE 51 1HE PHE 51 4.613 5.751 0.637 339 HE2 PHE 51 2HE PHE 51 4.718 1.582 1.421 340 HZ PHE 51 HZ PHE 51 5.435 3.510 0.089 341 H GLN 52 H GLN 52 4.844 2.665 4.949 342 HA GLN 52 HA GLN 52 5.968 4.823 6.540 343 1HB GLN 52 1HB GLN 52 5.956 2.163 7.384 344 2HB GLN 52 2HB GLN 52 7.536 2.322 6.642 345 1HG GLN 52 1HG GLN 52 6.765 4.620 8.373 346 2HG GLN 52 2HG GLN 52 6.920 3.098 9.228 347 1HE2 GLN 52 1HE2 GLN 52 8.834 2.633 9.972 348 2HE2 GLN 52 2HE2 GLN 52 10.363 3.172 9.361 349 H CYS 53 H CYS 53 7.037 6.076 5.068 350 HA CYS 53 HA CYS 53 8.059 4.869 2.678 351 1HB CYS 53 1HB CYS 53 7.669 7.636 3.701 352 2HB CYS 53 2HB CYS 53 8.935 7.396 2.511 353 HA PRO 54 HA PRO 54 12.043 4.325 4.390 354 1HB PRO 54 1HB PRO 54 13.418 3.696 2.114 355 2HB PRO 54 2HB PRO 54 12.469 2.530 3.014 356 1HG PRO 54 1HG PRO 54 11.829 3.861 0.452 357 2HG PRO 54 2HG PRO 54 11.125 2.413 1.142 358 1HD PRO 54 1HD PRO 54 9.953 5.030 1.083 359 2HD PRO 54 2HD PRO 54 9.302 3.609 1.873 360 H THR 55 H THR 55 14.454 4.972 3.978 361 HA THR 55 HA THR 55 14.458 7.776 4.105 362 HB THR 55 HB THR 55 16.110 5.956 5.039 363 HG1 THR 55 1HG THR 55 16.305 8.374 5.035 364 1HG2 THR 55 1HG2 THR 55 16.591 5.355 2.414 365 2HG2 THR 55 2HG2 THR 55 17.785 6.655 2.646 366 3HG2 THR 55 3HG2 THR 55 17.838 5.204 3.676 367 H GLY 56 H GLY 56 14.636 9.375 2.640 368 1HA GLY 56 1HA GLY 56 15.318 10.320 0.640 369 2HA GLY 56 2HA GLY 56 15.581 8.730 -0.048 370 H TYR 57 H TYR 57 12.662 8.461 1.557 371 HA TYR 57 HA TYR 57 11.156 9.358 -0.808 372 1HB TYR 57 1HB TYR 57 11.123 6.856 0.964 373 2HB TYR 57 2HB TYR 57 9.682 7.299 0.071 374 HD1 TYR 57 1HD TYR 57 12.775 5.540 -0.052 375 HD2 TYR 57 2HD TYR 57 9.953 7.613 -2.510 376 HE1 TYR 57 1HE TYR 57 13.671 4.340 -2.106 377 HE2 TYR 57 2HE TYR 57 10.859 6.406 -4.555 378 HH TYR 57 HH TYR 57 12.868 5.327 -5.264 379 H ARG 58 H ARG 58 8.926 10.008 -0.409 380 HA ARG 58 HA ARG 58 8.239 10.349 2.360 381 1HB ARG 58 1HB ARG 58 7.606 12.820 1.815 382 2HB ARG 58 2HB ARG 58 9.300 12.465 2.087 383 1HG ARG 58 1HG ARG 58 9.690 12.317 -0.362 384 2HG ARG 58 2HG ARG 58 7.986 12.588 -0.669 385 1HD ARG 58 1HD ARG 58 8.760 14.770 -0.905 386 2HD ARG 58 2HD ARG 58 8.395 14.787 0.809 387 HE ARG 58 HE ARG 58 11.050 13.843 0.577 388 1HH1 ARG 58 1HH1 ARG 58 9.267 16.815 -0.159 389 2HH1 ARG 58 2HH1 ARG 58 10.646 17.842 0.052 390 1HH2 ARG 58 1HH2 ARG 58 12.754 16.870 0.649 391 H GLN 59 H GLN 59 6.080 9.822 2.581 392 HA GLN 59 HA GLN 59 4.526 8.855 0.699 393 1HB GLN 59 1HB GLN 59 4.043 9.063 3.192 394 2HB GLN 59 2HB GLN 59 3.437 10.678 2.887 395 1HG GLN 59 1HG GLN 59 2.154 9.041 0.954 396 2HG GLN 59 2HG GLN 59 2.129 8.097 2.429 397 1HE2 GLN 59 1HE2 GLN 59 1.487 9.292 4.432 398 2HE2 GLN 59 2HE2 GLN 59 0.171 10.413 4.328 399 H CYS 60 H CYS 60 3.036 9.533 -0.897 400 HA CYS 60 HA CYS 60 3.542 12.154 -1.913 401 1HB CYS 60 1HB CYS 60 1.570 10.096 -2.918 402 2HB CYS 60 2HB CYS 60 2.174 11.493 -3.785 Start of MODEL 15 1 1H ASP 1 1H ASP 1 -23.579 -11.149 1.262 2 HA ASP 1 HA ASP 1 -21.443 -11.223 1.996 3 1HB ASP 1 1HB ASP 1 -20.935 -12.310 -0.778 4 2HB ASP 1 2HB ASP 1 -19.599 -11.565 0.078 5 H ARG 2 H ARG 2 -21.104 -10.369 -1.527 6 HA ARG 2 HA ARG 2 -20.637 -8.529 -2.556 7 1HB ARG 2 1HB ARG 2 -21.831 -6.801 -0.372 8 2HB ARG 2 2HB ARG 2 -21.953 -6.609 -2.110 9 1HG ARG 2 1HG ARG 2 -23.275 -8.854 -0.513 10 2HG ARG 2 2HG ARG 2 -24.095 -7.408 -1.064 11 1HD ARG 2 1HD ARG 2 -24.376 -8.264 -3.155 12 2HD ARG 2 2HD ARG 2 -22.676 -8.661 -3.292 13 HE ARG 2 HE ARG 2 -23.670 -10.604 -1.564 14 1HH1 ARG 2 1HH1 ARG 2 -24.506 -9.531 -4.836 15 2HH1 ARG 2 2HH1 ARG 2 -25.093 -11.084 -5.329 16 1HH2 ARG 2 1HH2 ARG 2 -25.046 -12.905 -3.772 17 H CYS 3 H CYS 3 -19.250 -6.495 -2.533 18 HA CYS 3 HA CYS 3 -18.024 -5.376 -0.439 19 1HB CYS 3 1HB CYS 3 -15.785 -6.611 -0.386 20 2HB CYS 3 2HB CYS 3 -17.126 -7.267 0.532 21 H ARG 4 H ARG 4 -15.774 -4.398 -1.153 22 HA ARG 4 HA ARG 4 -15.953 -4.043 -4.032 23 1HB ARG 4 1HB ARG 4 -15.400 -2.227 -1.742 24 2HB ARG 4 2HB ARG 4 -14.300 -2.003 -3.087 25 1HG ARG 4 1HG ARG 4 -16.353 -1.888 -4.621 26 2HG ARG 4 2HG ARG 4 -17.347 -1.867 -3.178 27 1HD ARG 4 1HD ARG 4 -15.077 0.125 -3.438 28 2HD ARG 4 2HD ARG 4 -16.576 0.418 -4.297 29 HE ARG 4 HE ARG 4 -17.256 -0.257 -1.617 30 1HH1 ARG 4 1HH1 ARG 4 -15.608 2.351 -3.361 31 2HH1 ARG 4 2HH1 ARG 4 -16.015 3.559 -2.189 32 1HH2 ARG 4 1HH2 ARG 4 -17.298 2.940 -0.262 33 H TYR 5 H TYR 5 -14.553 -5.660 -4.824 34 HA TYR 5 HA TYR 5 -12.262 -6.583 -3.635 35 1HB TYR 5 1HB TYR 5 -12.967 -6.064 -6.592 36 2HB TYR 5 2HB TYR 5 -11.718 -7.180 -6.074 37 HD1 TYR 5 1HD TYR 5 -12.365 -9.256 -4.789 38 HD2 TYR 5 2HD TYR 5 -15.267 -6.707 -6.631 39 HE1 TYR 5 1HE TYR 5 -14.091 -11.117 -4.662 40 HE2 TYR 5 2HE TYR 5 -16.984 -8.579 -6.497 41 HH TYR 5 HH TYR 5 -17.104 -10.785 -4.703 42 H THR 6 H THR 6 -10.169 -5.901 -3.403 43 HA THR 6 HA THR 6 -9.252 -3.677 -5.053 44 HB THR 6 HB THR 6 -8.882 -3.547 -2.043 45 HG1 THR 6 1HG THR 6 -11.069 -2.458 -3.664 46 1HG2 THR 6 1HG2 THR 6 -7.686 -1.821 -3.244 47 2HG2 THR 6 2HG2 THR 6 -9.050 -1.559 -4.357 48 3HG2 THR 6 3HG2 THR 6 -9.177 -1.046 -2.657 49 H LEU 7 H LEU 7 -6.862 -3.311 -4.789 50 HA LEU 7 HA LEU 7 -5.625 -5.940 -4.518 51 1HB LEU 7 1HB LEU 7 -5.087 -3.478 -6.090 52 2HB LEU 7 2HB LEU 7 -3.696 -4.409 -5.574 53 HG LEU 7 HG LEU 7 -4.654 -4.894 -7.886 54 1HD1 LEU 7 1HD1 LEU 7 -4.253 -7.332 -7.678 55 2HD1 LEU 7 2HD1 LEU 7 -3.009 -6.340 -6.882 56 3HD1 LEU 7 3HD1 LEU 7 -4.257 -7.153 -5.908 57 1HD2 LEU 7 1HD2 LEU 7 -6.829 -6.119 -6.183 58 2HD2 LEU 7 2HD2 LEU 7 -6.987 -4.939 -7.506 59 3HD2 LEU 7 3HD2 LEU 7 -6.512 -6.617 -7.862 60 H CYS 8 H CYS 8 -4.647 -6.444 -2.640 61 HA CYS 8 HA CYS 8 -3.422 -4.222 -1.176 62 1HB CYS 8 1HB CYS 8 -4.930 -6.566 0.000 63 2HB CYS 8 2HB CYS 8 -3.998 -5.405 0.925 64 H CYS 9 H CYS 9 -1.651 -5.118 0.376 65 HA CYS 9 HA CYS 9 -0.054 -6.941 -1.169 66 1HB CYS 9 1HB CYS 9 0.412 -5.077 1.112 67 2HB CYS 9 2HB CYS 9 1.505 -6.435 0.931 68 H ASP 10 H ASP 10 1.027 -8.842 -0.049 69 HA ASP 10 HA ASP 10 -0.936 -10.098 1.668 70 1HB ASP 10 1HB ASP 10 0.570 -10.992 -0.533 71 2HB ASP 10 2HB ASP 10 1.391 -11.717 0.835 72 H GLY 11 H GLY 11 0.634 -8.070 2.901 73 1HA GLY 11 1HA GLY 11 1.604 -7.990 4.996 74 2HA GLY 11 2HA GLY 11 2.144 -9.649 4.835 75 H ALA 12 H ALA 12 3.144 -9.002 1.973 76 HA ALA 12 HA ALA 12 5.525 -7.481 2.787 77 1HB ALA 12 1HB ALA 12 5.830 -10.005 2.626 78 2HB ALA 12 2HB ALA 12 5.487 -9.852 0.886 79 3HB ALA 12 3HB ALA 12 6.904 -9.036 1.589 80 H LEU 13 H LEU 13 6.214 -8.319 -0.245 81 HA LEU 13 HA LEU 13 5.019 -5.885 -1.299 82 1HB LEU 13 1HB LEU 13 7.355 -5.979 -1.553 83 2HB LEU 13 2HB LEU 13 7.321 -7.637 -2.119 84 HG LEU 13 HG LEU 13 7.770 -5.763 -3.819 85 1HD1 LEU 13 1HD1 LEU 13 7.267 -8.166 -4.329 86 2HD1 LEU 13 2HD1 LEU 13 5.558 -7.706 -4.516 87 3HD1 LEU 13 3HD1 LEU 13 6.789 -7.014 -5.599 88 1HD2 LEU 13 1HD2 LEU 13 5.471 -4.674 -2.842 89 2HD2 LEU 13 2HD2 LEU 13 6.189 -4.293 -4.425 90 3HD2 LEU 13 3HD2 LEU 13 4.878 -5.493 -4.306 91 H LYS 14 H LYS 14 4.963 -9.428 -1.625 92 HA LYS 14 HA LYS 14 3.811 -9.693 -4.093 93 1HB LYS 14 1HB LYS 14 2.809 -11.796 -3.127 94 2HB LYS 14 2HB LYS 14 4.542 -11.623 -2.939 95 1HG LYS 14 1HG LYS 14 3.594 -10.385 -0.635 96 2HG LYS 14 2HG LYS 14 2.414 -11.658 -0.869 97 1HD LYS 14 1HD LYS 14 4.257 -12.502 0.518 98 2HD LYS 14 2HD LYS 14 4.252 -13.345 -1.018 99 1HE LYS 14 1HE LYS 14 5.885 -11.135 -1.544 100 2HE LYS 14 2HE LYS 14 6.289 -11.521 0.116 101 1HZ LYS 14 1HZ LYS 14 6.135 -13.915 -1.380 102 2HZ LYS 14 2HZ LYS 14 7.125 -12.885 -2.159 103 H ALA 15 H ALA 15 2.255 -8.295 -4.815 104 HA ALA 15 HA ALA 15 0.089 -7.571 -3.048 105 1HB ALA 15 1HB ALA 15 0.673 -6.875 -5.956 106 2HB ALA 15 2HB ALA 15 -0.568 -6.117 -4.928 107 3HB ALA 15 3HB ALA 15 1.157 -5.913 -4.540 108 H VAL 16 H VAL 16 -1.915 -8.499 -3.006 109 HA VAL 16 HA VAL 16 -2.597 -10.268 -5.241 110 HB VAL 16 HB VAL 16 -1.649 -11.441 -3.171 111 1HG1 VAL 16 1HG1 VAL 16 -3.068 -11.753 -1.274 112 2HG1 VAL 16 2HG1 VAL 16 -2.951 -10.000 -1.557 113 3HG1 VAL 16 3HG1 VAL 16 -4.412 -10.885 -2.054 114 1HG2 VAL 16 1HG2 VAL 16 -2.839 -12.625 -4.938 115 2HG2 VAL 16 2HG2 VAL 16 -3.303 -13.273 -3.347 116 3HG2 VAL 16 3HG2 VAL 16 -4.403 -12.178 -4.217 117 H SER 17 H SER 17 -4.934 -10.571 -5.518 118 HA SER 17 HA SER 17 -6.288 -8.154 -4.774 119 1HB SER 17 1HB SER 17 -8.150 -9.421 -6.220 120 2HB SER 17 2HB SER 17 -6.805 -8.596 -6.981 121 HG SER 17 HG SER 17 -6.630 -11.380 -6.245 122 H ALA 18 H ALA 18 -7.988 -8.005 -3.292 123 HA ALA 18 HA ALA 18 -9.058 -10.512 -2.237 124 1HB ALA 18 1HB ALA 18 -7.834 -10.270 -0.362 125 2HB ALA 18 2HB ALA 18 -7.255 -8.665 -0.868 126 3HB ALA 18 3HB ALA 18 -8.809 -8.822 -0.013 127 H CYS 19 H CYS 19 -11.085 -10.068 -0.899 128 HA CYS 19 HA CYS 19 -12.432 -7.724 -2.031 129 1HB CYS 19 1HB CYS 19 -13.136 -10.120 -2.741 130 2HB CYS 19 2HB CYS 19 -13.869 -10.214 -1.152 131 H LEU 20 H LEU 20 -12.167 -6.253 -0.322 132 HA LEU 20 HA LEU 20 -13.107 -7.199 2.296 133 1HB LEU 20 1HB LEU 20 -10.698 -5.777 1.489 134 2HB LEU 20 2HB LEU 20 -11.592 -4.911 2.722 135 HG LEU 20 HG LEU 20 -11.545 -6.909 4.172 136 1HD1 LEU 20 1HD1 LEU 20 -9.696 -8.159 2.128 137 2HD1 LEU 20 2HD1 LEU 20 -10.308 -8.874 3.638 138 3HD1 LEU 20 3HD1 LEU 20 -11.423 -8.563 2.285 139 1HD2 LEU 20 1HD2 LEU 20 -8.695 -6.771 3.725 140 2HD2 LEU 20 2HD2 LEU 20 -9.435 -5.161 3.561 141 3HD2 LEU 20 3HD2 LEU 20 -9.674 -6.102 5.053 142 H HIS 21 H HIS 21 -14.272 -5.568 3.604 143 HA HIS 21 HA HIS 21 -15.951 -3.999 1.843 144 1HB HIS 21 1HB HIS 21 -16.295 -4.372 4.819 145 2HB HIS 21 2HB HIS 21 -17.505 -3.923 3.632 146 HD1 HIS 21 1HD HIS 21 -18.492 -6.166 5.151 147 HD2 HIS 21 2HD HIS 21 -15.781 -6.805 2.013 148 HE1 HIS 21 1HE HIS 21 -18.749 -8.611 4.470 149 H GLU 22 H GLU 22 -16.725 -1.795 2.968 150 HA GLU 22 HA GLU 22 -14.460 -0.174 2.942 151 1HB GLU 22 1HB GLU 22 -17.354 0.141 3.049 152 2HB GLU 22 2HB GLU 22 -16.590 1.278 4.141 153 1HG GLU 22 1HG GLU 22 -14.964 1.783 2.139 154 2HG GLU 22 2HG GLU 22 -16.165 0.979 1.148 155 H SER 23 H SER 23 -16.324 -1.745 5.532 156 HA SER 23 HA SER 23 -15.143 -0.152 7.567 157 1HB SER 23 1HB SER 23 -17.272 -2.092 7.341 158 2HB SER 23 2HB SER 23 -16.199 -2.606 8.629 159 HG SER 23 HG SER 23 -17.746 -0.205 8.407 160 H GLU 24 H GLU 24 -13.792 -2.316 5.507 161 HA GLU 24 HA GLU 24 -12.020 -3.331 7.590 162 1HB GLU 24 1HB GLU 24 -13.612 -5.005 6.283 163 2HB GLU 24 2HB GLU 24 -12.432 -4.834 5.000 164 1HG GLU 24 1HG GLU 24 -11.740 -6.732 6.320 165 2HG GLU 24 2HG GLU 24 -10.615 -5.437 6.680 166 H SER 25 H SER 25 -9.739 -3.706 6.840 167 HA SER 25 HA SER 25 -9.075 -2.376 4.379 168 1HB SER 25 1HB SER 25 -8.553 -1.239 7.087 169 2HB SER 25 2HB SER 25 -7.178 -1.226 6.001 170 HG SER 25 HG SER 25 -9.408 -0.402 4.634 171 H CYS 26 H CYS 26 -7.162 -3.222 3.464 172 HA CYS 26 HA CYS 26 -5.892 -5.306 5.082 173 1HB CYS 26 1HB CYS 26 -5.143 -5.930 2.570 174 2HB CYS 26 2HB CYS 26 -6.547 -6.594 3.382 175 H LEU 27 H LEU 27 -3.484 -5.678 4.152 176 HA LEU 27 HA LEU 27 -2.053 -3.369 4.748 177 1HB LEU 27 1HB LEU 27 -1.298 -5.723 5.000 178 2HB LEU 27 2HB LEU 27 -1.122 -5.828 3.260 179 HG LEU 27 HG LEU 27 0.406 -3.642 3.735 180 1HD1 LEU 27 1HD1 LEU 27 1.620 -3.753 5.738 181 2HD1 LEU 27 2HD1 LEU 27 -0.079 -3.971 6.227 182 3HD1 LEU 27 3HD1 LEU 27 1.007 -5.379 6.128 183 1HD2 LEU 27 1HD2 LEU 27 0.793 -6.149 2.766 184 2HD2 LEU 27 2HD2 LEU 27 2.076 -4.928 2.954 185 3HD2 LEU 27 3HD2 LEU 27 1.847 -6.177 4.201 186 H VAL 28 H VAL 28 -2.947 -1.660 3.453 187 HA VAL 28 HA VAL 28 -2.790 -1.875 0.600 188 HB VAL 28 HB VAL 28 -3.426 0.382 2.506 189 1HG1 VAL 28 1HG1 VAL 28 -3.993 0.473 -0.453 190 2HG1 VAL 28 2HG1 VAL 28 -3.920 1.804 0.726 191 3HG1 VAL 28 3HG1 VAL 28 -2.421 1.010 0.188 192 1HG2 VAL 28 1HG2 VAL 28 -4.933 -1.841 1.559 193 2HG2 VAL 28 2HG2 VAL 28 -5.481 -0.475 2.560 194 3HG2 VAL 28 3HG2 VAL 28 -5.590 -0.377 0.787 195 HA PRO 29 HA PRO 29 1.277 -0.448 0.227 196 1HB PRO 29 1HB PRO 29 1.291 0.285 -2.406 197 2HB PRO 29 2HB PRO 29 1.478 -1.375 -1.872 198 1HG PRO 29 1HG PRO 29 -0.882 -0.073 -3.085 199 2HG PRO 29 2HG PRO 29 -0.525 -1.782 -2.940 200 1HD PRO 29 1HD PRO 29 -2.371 -0.273 -1.346 201 2HD PRO 29 2HD PRO 29 -1.927 -1.954 -1.126 202 H GLY 30 H GLY 30 2.546 1.510 -1.007 203 1HA GLY 30 1HA GLY 30 1.012 3.957 -0.560 204 2HA GLY 30 2HA GLY 30 2.403 3.686 0.473 205 H ASP 31 H ASP 31 2.351 5.908 -1.224 206 HA ASP 31 HA ASP 31 4.066 5.088 -3.425 207 1HB ASP 31 1HB ASP 31 2.626 7.737 -2.924 208 2HB ASP 31 2HB ASP 31 3.587 7.370 -4.343 209 H CYS 32 H CYS 32 6.261 5.615 -3.257 210 HA CYS 32 HA CYS 32 6.982 7.443 -1.092 211 1HB CYS 32 1HB CYS 32 8.337 5.064 -2.308 212 2HB CYS 32 2HB CYS 32 9.308 6.319 -1.565 213 H CYS 33 H CYS 33 7.563 9.476 -1.771 214 HA CYS 33 HA CYS 33 8.401 9.752 -4.549 215 1HB CYS 33 1HB CYS 33 6.751 11.311 -2.777 216 2HB CYS 33 2HB CYS 33 8.088 12.289 -3.348 217 H ARG 34 H ARG 34 10.510 10.379 -5.034 218 HA ARG 34 HA ARG 34 12.106 11.287 -2.785 219 1HB ARG 34 1HB ARG 34 12.396 8.754 -3.612 220 2HB ARG 34 2HB ARG 34 13.341 9.491 -4.891 221 1HG ARG 34 1HG ARG 34 13.829 9.954 -1.911 222 2HG ARG 34 2HG ARG 34 14.713 8.795 -2.885 223 1HD ARG 34 1HD ARG 34 14.740 11.827 -3.083 224 2HD ARG 34 2HD ARG 34 16.100 10.740 -2.874 225 HE ARG 34 HE ARG 34 14.839 11.477 -5.398 226 1HH1 ARG 34 1HH1 ARG 34 16.687 8.926 -3.775 227 2HH1 ARG 34 2HH1 ARG 34 17.330 8.284 -5.249 228 1HH2 ARG 34 1HH2 ARG 34 16.729 9.299 -7.334 229 H GLY 35 H GLY 35 13.268 13.142 -3.275 230 1HA GLY 35 1HA GLY 35 13.808 14.971 -4.504 231 2HA GLY 35 2HA GLY 35 14.714 13.793 -5.432 232 H LYS 36 H LYS 36 13.940 13.054 -7.470 233 HA LYS 36 HA LYS 36 11.473 14.358 -8.378 234 1HB LYS 36 1HB LYS 36 12.557 14.792 -10.546 235 2HB LYS 36 2HB LYS 36 13.316 15.668 -9.232 236 1HG LYS 36 1HG LYS 36 15.203 14.187 -9.175 237 2HG LYS 36 2HG LYS 36 14.374 12.953 -10.103 238 1HD LYS 36 1HD LYS 36 14.419 14.359 -12.122 239 2HD LYS 36 2HD LYS 36 15.077 15.708 -11.218 240 1HE LYS 36 1HE LYS 36 17.045 14.843 -12.116 241 2HE LYS 36 2HE LYS 36 17.006 13.967 -10.599 242 1HZ LYS 36 1HZ LYS 36 16.155 12.051 -11.694 243 2HZ LYS 36 2HZ LYS 36 15.786 12.855 -13.061 244 H SER 37 H SER 37 11.143 11.935 -7.353 245 HA SER 37 HA SER 37 10.583 10.398 -9.678 246 1HB SER 37 1HB SER 37 12.839 9.677 -7.860 247 2HB SER 37 2HB SER 37 11.753 8.362 -8.265 248 HG SER 37 HG SER 37 12.229 8.575 -10.445 249 H ARG 38 H ARG 38 9.203 8.450 -9.095 250 HA ARG 38 HA ARG 38 8.127 8.698 -6.412 251 1HB ARG 38 1HB ARG 38 6.580 9.927 -7.883 252 2HB ARG 38 2HB ARG 38 6.524 8.590 -9.014 253 1HG ARG 38 1HG ARG 38 5.779 7.980 -6.167 254 2HG ARG 38 2HG ARG 38 4.650 8.958 -7.083 255 1HD ARG 38 1HD ARG 38 5.687 6.187 -7.846 256 2HD ARG 38 2HD ARG 38 4.057 6.588 -7.341 257 HE ARG 38 HE ARG 38 5.217 7.017 -9.992 258 1HH1 ARG 38 1HH1 ARG 38 2.691 8.091 -7.751 259 2HH1 ARG 38 2HH1 ARG 38 1.673 8.720 -9.003 260 1HH2 ARG 38 1HH2 ARG 38 2.389 8.565 -11.285 261 H LEU 39 H LEU 39 7.103 6.693 -5.614 262 HA LEU 39 HA LEU 39 7.429 4.365 -7.329 263 1HB LEU 39 1HB LEU 39 8.822 4.791 -4.694 264 2HB LEU 39 2HB LEU 39 8.488 3.189 -5.321 265 HG LEU 39 HG LEU 39 10.732 3.709 -5.884 266 1HD1 LEU 39 1HD1 LEU 39 10.644 2.948 -7.985 267 2HD1 LEU 39 2HD1 LEU 39 8.877 2.996 -7.775 268 3HD1 LEU 39 3HD1 LEU 39 9.716 4.354 -8.561 269 1HD2 LEU 39 1HD2 LEU 39 11.502 5.766 -6.195 270 2HD2 LEU 39 2HD2 LEU 39 10.449 6.004 -7.610 271 3HD2 LEU 39 3HD2 LEU 39 9.844 6.374 -5.978 272 H THR 40 H THR 40 6.309 2.418 -6.353 273 HA THR 40 HA THR 40 4.310 3.119 -4.351 274 HB THR 40 HB THR 40 3.776 2.391 -7.263 275 HG1 THR 40 1HG THR 40 2.546 4.325 -6.992 276 1HG2 THR 40 1HG2 THR 40 1.685 2.410 -5.040 277 2HG2 THR 40 2HG2 THR 40 1.487 1.878 -6.727 278 3HG2 THR 40 3HG2 THR 40 2.442 0.895 -5.591 279 H LEU 41 H LEU 41 4.883 1.685 -2.814 280 HA LEU 41 HA LEU 41 4.575 -1.099 -3.505 281 1HB LEU 41 1HB LEU 41 7.058 -0.593 -1.997 282 2HB LEU 41 2HB LEU 41 6.673 -1.837 -3.170 283 HG LEU 41 HG LEU 41 7.077 0.997 -4.088 284 1HD1 LEU 41 1HD1 LEU 41 9.005 0.573 -2.678 285 2HD1 LEU 41 2HD1 LEU 41 9.295 -0.982 -3.495 286 3HD1 LEU 41 3HD1 LEU 41 9.481 0.543 -4.393 287 1HD2 LEU 41 1HD2 LEU 41 7.012 0.121 -6.133 288 2HD2 LEU 41 2HD2 LEU 41 8.170 -1.162 -5.707 289 3HD2 LEU 41 3HD2 LEU 41 6.435 -1.381 -5.373 290 H CYS 42 H CYS 42 5.365 -2.274 -1.142 291 HA CYS 42 HA CYS 42 3.636 -0.871 0.756 292 1HB CYS 42 1HB CYS 42 4.179 -3.789 0.275 293 2HB CYS 42 2HB CYS 42 3.568 -3.233 1.821 294 H SER 43 H SER 43 4.520 -0.251 2.735 295 HA SER 43 HA SER 43 6.843 -1.536 3.719 296 1HB SER 43 1HB SER 43 8.155 -0.173 2.324 297 2HB SER 43 2HB SER 43 7.039 1.176 2.411 298 HG SER 43 HG SER 43 8.549 1.892 3.794 299 H TYR 44 H TYR 44 5.835 -1.840 5.711 300 HA TYR 44 HA TYR 44 4.618 0.519 6.955 301 1HB TYR 44 1HB TYR 44 4.562 -2.528 7.398 302 2HB TYR 44 2HB TYR 44 3.771 -1.417 8.499 303 HD1 TYR 44 1HD TYR 44 1.485 -1.218 8.230 304 HD2 TYR 44 2HD TYR 44 3.900 -1.960 4.778 305 HE1 TYR 44 1HE TYR 44 -0.599 -1.266 6.773 306 HE2 TYR 44 2HE TYR 44 1.809 -2.006 3.333 307 HH TYR 44 HH TYR 44 -1.396 -1.483 4.784 308 H GLY 45 H GLY 45 4.800 0.280 9.543 309 1HA GLY 45 1HA GLY 45 7.553 -0.463 10.262 310 2HA GLY 45 2HA GLY 45 7.013 1.182 10.531 311 H GLU 46 H GLU 46 6.686 1.416 12.710 312 HA GLU 46 HA GLU 46 5.021 -0.635 13.948 313 1HB GLU 46 1HB GLU 46 6.316 0.231 16.113 314 2HB GLU 46 2HB GLU 46 6.996 -1.021 15.093 315 1HG GLU 46 1HG GLU 46 7.605 1.837 14.363 316 2HG GLU 46 2HG GLU 46 8.393 1.186 15.787 317 H GLY 47 H GLY 47 3.183 0.097 14.984 318 1HA GLY 47 1HA GLY 47 2.789 2.397 16.374 319 2HA GLY 47 2HA GLY 47 2.522 2.886 14.712 320 H GLY 48 H GLY 48 1.068 1.248 13.383 321 1HA GLY 48 1HA GLY 48 -0.777 -0.391 14.733 322 2HA GLY 48 2HA GLY 48 -1.468 1.210 14.568 323 H ASN 49 H ASN 49 -1.405 2.221 12.306 324 HA ASN 49 HA ASN 49 -1.210 0.265 10.207 325 1HB ASN 49 1HB ASN 49 -3.787 1.623 11.070 326 2HB ASN 49 2HB ASN 49 -3.550 1.251 9.373 327 1HD2 ASN 49 1HD2 ASN 49 -5.571 0.145 10.904 328 2HD2 ASN 49 2HD2 ASN 49 -5.325 -1.561 11.080 329 H GLY 50 H GLY 50 0.312 1.469 9.014 330 1HA GLY 50 1HA GLY 50 -0.503 3.804 7.648 331 2HA GLY 50 2HA GLY 50 0.535 4.247 8.988 332 H PHE 51 H PHE 51 1.378 4.748 6.374 333 HA PHE 51 HA PHE 51 3.036 2.565 5.509 334 1HB PHE 51 1HB PHE 51 1.749 4.645 4.282 335 2HB PHE 51 2HB PHE 51 3.277 5.449 4.581 336 HD1 PHE 51 1HD PHE 51 2.276 2.041 3.400 337 HD2 PHE 51 2HD PHE 51 4.622 5.512 2.724 338 HE1 PHE 51 1HE PHE 51 3.234 0.990 1.331 339 HE2 PHE 51 2HE PHE 51 5.579 4.462 0.654 340 HZ PHE 51 HZ PHE 51 4.874 2.214 -0.017 341 H GLN 52 H GLN 52 5.416 2.874 5.130 342 HA GLN 52 HA GLN 52 6.603 4.817 6.907 343 1HB GLN 52 1HB GLN 52 6.340 2.780 8.293 344 2HB GLN 52 2HB GLN 52 7.176 1.827 7.083 345 1HG GLN 52 1HG GLN 52 8.657 4.251 7.989 346 2HG GLN 52 2HG GLN 52 8.403 3.046 9.235 347 1HE2 GLN 52 1HE2 GLN 52 10.536 4.065 7.061 348 2HE2 GLN 52 2HE2 GLN 52 11.368 2.605 6.641 349 H CYS 53 H CYS 53 6.970 5.657 4.624 350 HA CYS 53 HA CYS 53 8.321 4.406 2.664 351 1HB CYS 53 1HB CYS 53 8.067 7.204 3.562 352 2HB CYS 53 2HB CYS 53 9.460 6.883 2.548 353 HA PRO 54 HA PRO 54 12.323 3.663 4.212 354 1HB PRO 54 1HB PRO 54 13.832 3.647 1.932 355 2HB PRO 54 2HB PRO 54 12.850 2.288 2.442 356 1HG PRO 54 1HG PRO 54 12.336 4.240 0.282 357 2HG PRO 54 2HG PRO 54 11.615 2.662 0.530 358 1HD PRO 54 1HD PRO 54 10.411 5.206 1.085 359 2HD PRO 54 2HD PRO 54 9.737 3.628 1.441 360 H THR 55 H THR 55 14.660 4.403 4.352 361 HA THR 55 HA THR 55 14.573 7.146 4.993 362 HB THR 55 HB THR 55 16.072 5.080 5.805 363 HG1 THR 55 1HG THR 55 16.151 7.255 6.665 364 1HG2 THR 55 1HG2 THR 55 17.291 4.707 3.679 365 2HG2 THR 55 2HG2 THR 55 17.736 6.430 3.614 366 3HG2 THR 55 3HG2 THR 55 18.406 5.386 4.890 367 H GLY 56 H GLY 56 14.942 8.963 3.866 368 1HA GLY 56 1HA GLY 56 16.032 10.218 2.233 369 2HA GLY 56 2HA GLY 56 16.389 8.762 1.326 370 H TYR 57 H TYR 57 13.325 8.078 2.132 371 HA TYR 57 HA TYR 57 12.264 9.434 -0.247 372 1HB TYR 57 1HB TYR 57 11.703 6.846 1.311 373 2HB TYR 57 2HB TYR 57 10.557 7.436 0.123 374 HD1 TYR 57 1HD TYR 57 13.972 6.090 0.594 375 HD2 TYR 57 2HD TYR 57 10.968 7.205 -2.240 376 HE1 TYR 57 1HE TYR 57 15.266 4.913 -1.251 377 HE2 TYR 57 2HE TYR 57 12.272 6.026 -4.076 378 HH TYR 57 HH TYR 57 14.527 3.812 -3.545 379 H ARG 58 H ARG 58 9.813 9.826 -0.156 380 HA ARG 58 HA ARG 58 8.851 10.263 2.507 381 1HB ARG 58 1HB ARG 58 9.179 12.552 0.502 382 2HB ARG 58 2HB ARG 58 8.249 12.676 1.982 383 1HG ARG 58 1HG ARG 58 10.322 12.081 3.297 384 2HG ARG 58 2HG ARG 58 11.236 12.054 1.801 385 1HD ARG 58 1HD ARG 58 11.640 14.261 2.325 386 2HD ARG 58 2HD ARG 58 10.088 14.517 1.554 387 HE ARG 58 HE ARG 58 9.212 15.105 3.632 388 1HH1 ARG 58 2HH1 ARG 58 12.083 13.100 4.171 389 2HH1 ARG 58 1HH1 ARG 58 12.038 13.280 5.893 390 2HH2 ARG 58 2HH2 ARG 58 10.306 14.603 6.890 391 H GLN 59 H GLN 59 6.691 9.686 2.527 392 HA GLN 59 HA GLN 59 5.389 8.605 0.500 393 1HB GLN 59 1HB GLN 59 4.357 10.206 2.857 394 2HB GLN 59 2HB GLN 59 3.232 9.491 1.719 395 1HG GLN 59 1HG GLN 59 3.696 7.330 2.393 396 2HG GLN 59 2HG GLN 59 5.394 7.662 2.667 397 1HE2 GLN 59 1HE2 GLN 59 2.177 8.537 3.909 398 2HE2 GLN 59 2HE2 GLN 59 2.581 8.540 5.592 399 H CYS 60 H CYS 60 4.442 9.206 -1.419 400 HA CYS 60 HA CYS 60 4.666 11.952 -2.173 401 1HB CYS 60 1HB CYS 60 4.917 9.664 -3.550 402 2HB CYS 60 2HB CYS 60 3.232 9.997 -3.895 Start of MODEL 16 1 1H ASP 1 1H ASP 1 -19.462 -6.065 -8.365 2 HA ASP 1 HA ASP 1 -22.316 -5.530 -8.640 3 1HB ASP 1 1HB ASP 1 -20.713 -7.882 -9.277 4 2HB ASP 1 2HB ASP 1 -21.886 -8.294 -8.040 5 H ARG 2 H ARG 2 -19.797 -7.343 -6.718 6 HA ARG 2 HA ARG 2 -21.013 -6.315 -4.324 7 1HB ARG 2 1HB ARG 2 -20.346 -9.255 -4.281 8 2HB ARG 2 2HB ARG 2 -21.534 -8.379 -3.337 9 1HG ARG 2 1HG ARG 2 -22.840 -8.039 -5.544 10 2HG ARG 2 2HG ARG 2 -21.744 -9.201 -6.266 11 1HD ARG 2 1HD ARG 2 -23.301 -9.833 -3.721 12 2HD ARG 2 2HD ARG 2 -23.979 -10.117 -5.311 13 HE ARG 2 HE ARG 2 -21.739 -11.587 -4.067 14 1HH1 ARG 2 1HH1 ARG 2 -23.576 -10.955 -7.031 15 2HH1 ARG 2 2HH1 ARG 2 -23.051 -12.408 -7.814 16 1HH2 ARG 2 1HH2 ARG 2 -21.564 -13.892 -6.660 17 H CYS 3 H CYS 3 -19.539 -6.570 -2.405 18 HA CYS 3 HA CYS 3 -17.580 -6.544 -1.417 19 1HB CYS 3 1HB CYS 3 -17.304 -8.845 -2.052 20 2HB CYS 3 2HB CYS 3 -16.757 -8.399 -3.656 21 H ARG 4 H ARG 4 -15.939 -4.970 -1.376 22 HA ARG 4 HA ARG 4 -15.693 -3.477 -3.830 23 1HB ARG 4 1HB ARG 4 -15.520 -2.887 -0.931 24 2HB ARG 4 2HB ARG 4 -14.239 -2.117 -1.847 25 1HG ARG 4 1HG ARG 4 -16.233 -1.452 -3.497 26 2HG ARG 4 2HG ARG 4 -17.231 -1.739 -2.086 27 1HD ARG 4 1HD ARG 4 -16.544 0.649 -2.229 28 2HD ARG 4 2HD ARG 4 -15.920 -0.099 -0.772 29 HE ARG 4 HE ARG 4 -13.992 -0.377 -2.892 30 1HH1 ARG 4 1HH1 ARG 4 -15.335 2.062 -0.703 31 2HH1 ARG 4 2HH1 ARG 4 -13.911 3.047 -0.725 32 1HH2 ARG 4 1HH2 ARG 4 -12.028 2.358 -2.038 33 H TYR 5 H TYR 5 -14.273 -5.145 -4.853 34 HA TYR 5 HA TYR 5 -11.939 -6.121 -3.821 35 1HB TYR 5 1HB TYR 5 -12.640 -5.085 -6.640 36 2HB TYR 5 2HB TYR 5 -11.331 -6.203 -6.315 37 HD1 TYR 5 1HD TYR 5 -11.924 -8.494 -5.298 38 HD2 TYR 5 2HD TYR 5 -14.833 -5.873 -7.023 39 HE1 TYR 5 1HE TYR 5 -13.532 -10.445 -5.571 40 HE2 TYR 5 2HE TYR 5 -16.430 -7.832 -7.290 41 HH TYR 5 HH TYR 5 -15.504 -11.078 -6.173 42 H THR 6 H THR 6 -10.160 -5.148 -2.999 43 HA THR 6 HA THR 6 -9.232 -2.703 -4.339 44 HB THR 6 HB THR 6 -9.077 -3.019 -1.326 45 HG1 THR 6 1HG THR 6 -11.259 -1.960 -2.982 46 1HG2 THR 6 1HG2 THR 6 -8.526 -0.948 -3.268 47 2HG2 THR 6 2HG2 THR 6 -9.926 -0.434 -2.296 48 3HG2 THR 6 3HG2 THR 6 -8.391 -0.848 -1.496 49 H LEU 7 H LEU 7 -6.910 -2.213 -3.848 50 HA LEU 7 HA LEU 7 -5.466 -4.728 -3.974 51 1HB LEU 7 1HB LEU 7 -4.887 -1.882 -4.710 52 2HB LEU 7 2HB LEU 7 -3.563 -3.002 -4.461 53 HG LEU 7 HG LEU 7 -5.787 -3.793 -6.310 54 1HD1 LEU 7 1HD1 LEU 7 -5.394 -1.606 -7.127 55 2HD1 LEU 7 2HD1 LEU 7 -3.632 -1.765 -6.932 56 3HD1 LEU 7 3HD1 LEU 7 -4.477 -2.706 -8.184 57 1HD2 LEU 7 1HD2 LEU 7 -4.420 -5.475 -6.780 58 2HD2 LEU 7 2HD2 LEU 7 -3.118 -4.346 -7.225 59 3HD2 LEU 7 3HD2 LEU 7 -3.298 -4.875 -5.536 60 H CYS 8 H CYS 8 -4.569 -5.618 -2.202 61 HA CYS 8 HA CYS 8 -3.707 -3.769 -0.106 62 1HB CYS 8 1HB CYS 8 -5.211 -6.364 0.283 63 2HB CYS 8 2HB CYS 8 -4.405 -5.486 1.569 64 H CYS 9 H CYS 9 -2.079 -4.984 1.414 65 HA CYS 9 HA CYS 9 -0.345 -6.555 -0.328 66 1HB CYS 9 1HB CYS 9 0.117 -4.673 1.932 67 2HB CYS 9 2HB CYS 9 1.236 -6.009 1.759 68 H ASP 10 H ASP 10 0.565 -8.568 0.484 69 HA ASP 10 HA ASP 10 -1.223 -9.840 2.332 70 1HB ASP 10 1HB ASP 10 1.004 -10.754 0.489 71 2HB ASP 10 2HB ASP 10 0.428 -11.833 1.743 72 H GLY 11 H GLY 11 1.621 -8.004 2.471 73 1HA GLY 11 1HA GLY 11 2.821 -7.523 4.375 74 2HA GLY 11 2HA GLY 11 2.263 -9.003 5.130 75 H ALA 12 H ALA 12 2.914 -10.732 2.776 76 HA ALA 12 HA ALA 12 5.767 -10.422 2.446 77 1HB ALA 12 1HB ALA 12 6.436 -12.336 3.612 78 2HB ALA 12 2HB ALA 12 5.201 -11.652 4.696 79 3HB ALA 12 3HB ALA 12 4.793 -13.021 3.635 80 H LEU 13 H LEU 13 5.222 -10.199 0.216 81 HA LEU 13 HA LEU 13 5.349 -12.418 -1.316 82 1HB LEU 13 1HB LEU 13 2.659 -12.075 -0.247 83 2HB LEU 13 2HB LEU 13 2.680 -12.089 -2.000 84 HG LEU 13 HG LEU 13 4.151 -14.233 -0.494 85 1HD1 LEU 13 1HD1 LEU 13 1.569 -15.217 -1.145 86 2HD1 LEU 13 2HD1 LEU 13 2.330 -15.062 0.456 87 3HD1 LEU 13 3HD1 LEU 13 1.352 -13.725 -0.197 88 1HD2 LEU 13 1HD2 LEU 13 2.568 -14.616 -3.010 89 2HD2 LEU 13 2HD2 LEU 13 4.141 -13.783 -3.078 90 3HD2 LEU 13 3HD2 LEU 13 4.039 -15.443 -2.444 91 H LYS 14 H LYS 14 2.691 -10.093 -1.912 92 HA LYS 14 HA LYS 14 4.177 -8.030 -2.982 93 1HB LYS 14 1HB LYS 14 4.398 -10.305 -4.618 94 2HB LYS 14 2HB LYS 14 3.226 -9.281 -5.425 95 1HG LYS 14 1HG LYS 14 6.072 -8.569 -4.609 96 2HG LYS 14 2HG LYS 14 5.396 -8.596 -6.226 97 1HD LYS 14 1HD LYS 14 4.608 -6.470 -6.037 98 2HD LYS 14 2HD LYS 14 3.850 -6.809 -4.493 99 1HE LYS 14 1HE LYS 14 5.464 -5.578 -3.481 100 2HE LYS 14 2HE LYS 14 6.638 -6.792 -3.948 101 1HZ LYS 14 1HZ LYS 14 6.831 -4.306 -4.785 102 2HZ LYS 14 2HZ LYS 14 7.319 -5.536 -5.735 103 H ALA 15 H ALA 15 2.772 -6.358 -2.958 104 HA ALA 15 HA ALA 15 0.223 -6.452 -2.214 105 1HB ALA 15 1HB ALA 15 0.380 -4.435 -4.247 106 2HB ALA 15 2HB ALA 15 0.532 -4.245 -2.483 107 3HB ALA 15 3HB ALA 15 1.977 -4.566 -3.471 108 H VAL 16 H VAL 16 -1.580 -7.474 -2.910 109 HA VAL 16 HA VAL 16 -1.908 -7.757 -5.811 110 HB VAL 16 HB VAL 16 -1.185 -9.824 -4.223 111 1HG1 VAL 16 1HG1 VAL 16 -4.129 -10.336 -4.492 112 2HG1 VAL 16 2HG1 VAL 16 -2.939 -11.068 -3.390 113 3HG1 VAL 16 3HG1 VAL 16 -3.533 -9.417 -3.089 114 1HG2 VAL 16 1HG2 VAL 16 -2.983 -9.869 -6.667 115 2HG2 VAL 16 2HG2 VAL 16 -1.204 -9.924 -6.629 116 3HG2 VAL 16 3HG2 VAL 16 -2.151 -11.298 -6.007 117 H SER 17 H SER 17 -4.437 -8.928 -5.815 118 HA SER 17 HA SER 17 -5.957 -6.684 -4.864 119 1HB SER 17 1HB SER 17 -7.834 -7.857 -6.147 120 2HB SER 17 2HB SER 17 -6.464 -7.332 -7.106 121 HG SER 17 HG SER 17 -6.864 -10.018 -6.091 122 H ALA 18 H ALA 18 -7.982 -6.981 -3.598 123 HA ALA 18 HA ALA 18 -8.161 -9.527 -2.189 124 1HB ALA 18 1HB ALA 18 -8.070 -6.860 -0.733 125 2HB ALA 18 2HB ALA 18 -8.091 -8.491 -0.022 126 3HB ALA 18 3HB ALA 18 -6.655 -7.926 -0.911 127 H CYS 19 H CYS 19 -10.278 -9.863 -1.205 128 HA CYS 19 HA CYS 19 -12.276 -8.081 -2.397 129 1HB CYS 19 1HB CYS 19 -12.100 -10.519 -3.187 130 2HB CYS 19 2HB CYS 19 -12.757 -10.953 -1.621 131 H LEU 20 H LEU 20 -12.485 -6.631 -0.629 132 HA LEU 20 HA LEU 20 -13.527 -7.882 1.811 133 1HB LEU 20 1HB LEU 20 -11.224 -6.084 1.472 134 2HB LEU 20 2HB LEU 20 -12.353 -5.589 2.718 135 HG LEU 20 HG LEU 20 -12.149 -7.918 3.696 136 1HD1 LEU 20 1HD1 LEU 20 -10.997 -9.516 2.681 137 2HD1 LEU 20 2HD1 LEU 20 -10.764 -8.420 1.298 138 3HD1 LEU 20 3HD1 LEU 20 -9.548 -8.486 2.596 139 1HD2 LEU 20 1HD2 LEU 20 -10.049 -7.436 4.836 140 2HD2 LEU 20 2HD2 LEU 20 -9.626 -6.241 3.588 141 3HD2 LEU 20 3HD2 LEU 20 -11.024 -5.958 4.652 142 H HIS 21 H HIS 21 -14.939 -6.369 3.088 143 HA HIS 21 HA HIS 21 -16.555 -4.884 1.197 144 1HB HIS 21 1HB HIS 21 -17.070 -5.649 4.084 145 2HB HIS 21 2HB HIS 21 -18.217 -4.857 3.022 146 HD1 HIS 21 1HD HIS 21 -17.070 -6.890 0.574 147 HD2 HIS 21 2HD HIS 21 -18.960 -7.828 4.198 148 HE1 HIS 21 1HE HIS 21 -18.097 -9.206 0.266 149 H GLU 22 H GLU 22 -17.711 -2.876 2.575 150 HA GLU 22 HA GLU 22 -15.722 -0.954 2.602 151 1HB GLU 22 1HB GLU 22 -18.610 -1.093 2.984 152 2HB GLU 22 2HB GLU 22 -17.909 0.047 4.113 153 1HG GLU 22 1HG GLU 22 -16.605 1.015 2.082 154 2HG GLU 22 2HG GLU 22 -17.676 0.060 1.077 155 H SER 23 H SER 23 -17.028 -3.071 5.127 156 HA SER 23 HA SER 23 -15.952 -1.504 7.241 157 1HB SER 23 1HB SER 23 -16.514 -3.672 8.569 158 2HB SER 23 2HB SER 23 -17.840 -2.757 7.880 159 HG SER 23 HG SER 23 -18.301 -4.369 6.525 160 H GLU 24 H GLU 24 -15.357 -5.014 6.526 161 HA GLU 24 HA GLU 24 -13.062 -5.329 7.781 162 1HB GLU 24 1HB GLU 24 -14.413 -6.974 6.288 163 2HB GLU 24 2HB GLU 24 -13.395 -6.433 4.969 164 1HG GLU 24 1HG GLU 24 -12.362 -8.415 5.904 165 2HG GLU 24 2HG GLU 24 -11.360 -7.049 6.352 166 H SER 25 H SER 25 -10.753 -5.254 7.241 167 HA SER 25 HA SER 25 -10.128 -3.532 5.000 168 1HB SER 25 1HB SER 25 -9.722 -2.900 7.894 169 2HB SER 25 2HB SER 25 -8.365 -2.547 6.843 170 HG SER 25 HG SER 25 -11.031 -1.473 6.766 171 H CYS 26 H CYS 26 -7.635 -3.511 4.630 172 HA CYS 26 HA CYS 26 -6.417 -5.943 5.677 173 1HB CYS 26 1HB CYS 26 -5.472 -6.029 3.160 174 2HB CYS 26 2HB CYS 26 -6.841 -6.960 3.734 175 H LEU 27 H LEU 27 -3.940 -5.886 4.950 176 HA LEU 27 HA LEU 27 -2.915 -3.421 5.887 177 1HB LEU 27 1HB LEU 27 -2.044 -5.906 6.022 178 2HB LEU 27 2HB LEU 27 -1.227 -5.480 4.531 179 HG LEU 27 HG LEU 27 0.073 -3.803 5.582 180 1HD1 LEU 27 1HD1 LEU 27 -2.049 -3.876 7.658 181 2HD1 LEU 27 2HD1 LEU 27 -0.391 -3.545 8.213 182 3HD1 LEU 27 3HD1 LEU 27 -1.142 -2.503 6.979 183 1HD2 LEU 27 1HD2 LEU 27 -0.092 -6.096 7.555 184 2HD2 LEU 27 2HD2 LEU 27 0.771 -6.144 5.998 185 3HD2 LEU 27 3HD2 LEU 27 1.295 -5.016 7.272 186 H VAL 28 H VAL 28 -3.572 -1.731 4.518 187 HA VAL 28 HA VAL 28 -3.316 -1.876 1.720 188 HB VAL 28 HB VAL 28 -4.872 -0.376 2.648 189 1HG1 VAL 28 1HG1 VAL 28 -4.547 0.501 4.673 190 2HG1 VAL 28 2HG1 VAL 28 -2.816 0.093 4.616 191 3HG1 VAL 28 3HG1 VAL 28 -3.387 1.645 3.958 192 1HG2 VAL 28 1HG2 VAL 28 -2.498 0.925 1.346 193 2HG2 VAL 28 2HG2 VAL 28 -4.140 0.656 0.714 194 3HG2 VAL 28 3HG2 VAL 28 -3.847 1.936 1.917 195 HA PRO 29 HA PRO 29 0.920 -1.095 1.299 196 1HB PRO 29 1HB PRO 29 1.011 -0.340 -1.326 197 2HB PRO 29 2HB PRO 29 0.945 -2.014 -0.813 198 1HG PRO 29 1HG PRO 29 -1.201 -0.346 -1.976 199 2HG PRO 29 2HG PRO 29 -1.112 -2.092 -1.853 200 1HD PRO 29 1HD PRO 29 -2.678 -0.335 -0.215 201 2HD PRO 29 2HD PRO 29 -2.498 -2.067 -0.020 202 H GLY 30 H GLY 30 2.372 0.699 -0.117 203 1HA GLY 30 1HA GLY 30 1.268 3.322 0.562 204 2HA GLY 30 2HA GLY 30 2.729 2.821 1.392 205 H ASP 31 H ASP 31 2.068 4.949 -0.773 206 HA ASP 31 HA ASP 31 3.922 3.996 -2.798 207 1HB ASP 31 1HB ASP 31 2.170 6.495 -2.845 208 2HB ASP 31 2HB ASP 31 3.052 5.819 -4.199 209 H CYS 32 H CYS 32 6.030 4.766 -2.602 210 HA CYS 32 HA CYS 32 6.426 7.125 -0.938 211 1HB CYS 32 1HB CYS 32 8.166 4.811 -1.725 212 2HB CYS 32 2HB CYS 32 8.898 6.320 -1.215 213 H CYS 33 H CYS 33 6.626 9.047 -2.032 214 HA CYS 33 HA CYS 33 7.373 8.923 -4.834 215 1HB CYS 33 1HB CYS 33 5.630 10.572 -3.253 216 2HB CYS 33 2HB CYS 33 6.828 11.585 -4.033 217 H ARG 34 H ARG 34 9.464 9.378 -5.442 218 HA ARG 34 HA ARG 34 11.074 10.779 -3.462 219 1HB ARG 34 1HB ARG 34 11.663 8.332 -4.091 220 2HB ARG 34 2HB ARG 34 12.128 8.946 -5.665 221 1HG ARG 34 1HG ARG 34 13.428 10.692 -3.895 222 2HG ARG 34 2HG ARG 34 13.545 9.145 -3.079 223 1HD ARG 34 1HD ARG 34 15.466 9.146 -4.461 224 2HD ARG 34 2HD ARG 34 14.325 8.202 -5.398 225 HE ARG 34 HE ARG 34 14.004 10.950 -6.117 226 1HH1 ARG 34 1HH1 ARG 34 16.375 8.339 -6.453 227 2HH1 ARG 34 2HH1 ARG 34 17.045 8.968 -7.922 228 1HH2 ARG 34 1HH2 ARG 34 16.155 10.993 -8.844 229 H GLY 35 H GLY 35 11.311 12.906 -4.100 230 1HA GLY 35 1HA GLY 35 11.690 14.704 -5.392 231 2HA GLY 35 2HA GLY 35 12.672 13.657 -6.398 232 H LYS 36 H LYS 36 11.686 12.516 -8.225 233 HA LYS 36 HA LYS 36 9.028 13.517 -8.931 234 1HB LYS 36 1HB LYS 36 9.743 14.049 -11.174 235 2HB LYS 36 2HB LYS 36 10.705 14.955 -10.024 236 1HG LYS 36 1HG LYS 36 12.574 13.371 -10.251 237 2HG LYS 36 2HG LYS 36 11.608 12.312 -11.258 238 1HD LYS 36 1HD LYS 36 11.539 14.970 -12.405 239 2HD LYS 36 2HD LYS 36 13.209 14.559 -12.071 240 1HE LYS 36 1HE LYS 36 11.727 12.295 -13.254 241 2HE LYS 36 2HE LYS 36 11.705 13.709 -14.288 242 1HZ LYS 36 1HZ LYS 36 13.687 12.554 -14.811 243 2HZ LYS 36 2HZ LYS 36 14.205 13.794 -13.891 244 H SER 37 H SER 37 9.675 11.028 -7.702 245 HA SER 37 HA SER 37 8.861 9.315 -9.880 246 1HB SER 37 1HB SER 37 11.403 9.060 -8.326 247 2HB SER 37 2HB SER 37 10.500 7.574 -8.551 248 HG SER 37 HG SER 37 10.413 8.329 -10.930 249 H ARG 38 H ARG 38 8.061 7.113 -8.943 250 HA ARG 38 HA ARG 38 7.151 7.496 -6.214 251 1HB ARG 38 1HB ARG 38 5.250 8.114 -7.637 252 2HB ARG 38 2HB ARG 38 5.452 6.677 -8.620 253 1HG ARG 38 1HG ARG 38 4.964 5.261 -6.583 254 2HG ARG 38 2HG ARG 38 4.674 6.725 -5.665 255 1HD ARG 38 1HD ARG 38 2.492 6.181 -6.335 256 2HD ARG 38 2HD ARG 38 2.958 7.297 -7.603 257 HE ARG 38 HE ARG 38 3.764 4.704 -8.440 258 1HH1 ARG 38 1HH1 ARG 38 0.752 6.449 -7.777 259 2HH1 ARG 38 2HH1 ARG 38 -0.183 5.510 -8.892 260 1HH2 ARG 38 1HH2 ARG 38 0.883 3.762 -10.137 261 H LEU 39 H LEU 39 6.679 5.450 -5.073 262 HA LEU 39 HA LEU 39 7.360 3.016 -6.493 263 1HB LEU 39 1HB LEU 39 9.003 4.204 -4.280 264 2HB LEU 39 2HB LEU 39 8.905 2.466 -4.479 265 HG LEU 39 HG LEU 39 9.972 4.476 -6.477 266 1HD1 LEU 39 1HD1 LEU 39 11.174 2.762 -4.431 267 2HD1 LEU 39 2HD1 LEU 39 11.898 2.554 -6.044 268 3HD1 LEU 39 3HD1 LEU 39 11.840 4.168 -5.296 269 1HD2 LEU 39 1HD2 LEU 39 9.217 1.592 -6.815 270 2HD2 LEU 39 2HD2 LEU 39 8.995 2.970 -7.920 271 3HD2 LEU 39 3HD2 LEU 39 10.609 2.254 -7.705 272 H THR 40 H THR 40 5.447 1.977 -6.171 273 HA THR 40 HA THR 40 4.203 2.185 -3.536 274 HB THR 40 HB THR 40 3.223 0.918 -6.148 275 HG1 THR 40 1HG THR 40 2.543 3.024 -6.569 276 1HG2 THR 40 1HG2 THR 40 1.873 0.201 -4.209 277 2HG2 THR 40 2HG2 THR 40 1.813 1.873 -3.601 278 3HG2 THR 40 3HG2 THR 40 0.971 1.442 -5.109 279 H LEU 41 H LEU 41 4.891 0.827 -2.006 280 HA LEU 41 HA LEU 41 4.912 -1.986 -2.653 281 1HB LEU 41 1HB LEU 41 7.091 -2.433 -2.440 282 2HB LEU 41 2HB LEU 41 7.260 -0.786 -3.015 283 HG LEU 41 HG LEU 41 7.087 -0.448 -0.273 284 1HD1 LEU 41 1HD1 LEU 41 8.215 -2.070 0.886 285 2HD1 LEU 41 2HD1 LEU 41 7.353 -3.069 -0.310 286 3HD1 LEU 41 3HD1 LEU 41 9.071 -2.670 -0.554 287 1HD2 LEU 41 1HD2 LEU 41 8.591 0.814 -1.596 288 2HD2 LEU 41 2HD2 LEU 41 9.587 -0.099 -0.439 289 3HD2 LEU 41 3HD2 LEU 41 9.464 -0.642 -2.131 290 H CYS 42 H CYS 42 5.434 -3.245 -0.484 291 HA CYS 42 HA CYS 42 3.704 -2.016 1.473 292 1HB CYS 42 1HB CYS 42 4.924 -4.708 1.879 293 2HB CYS 42 2HB CYS 42 3.337 -4.113 2.327 294 H SER 43 H SER 43 4.608 -0.750 3.058 295 HA SER 43 HA SER 43 6.907 -1.713 4.421 296 1HB SER 43 1HB SER 43 8.147 -0.622 2.687 297 2HB SER 43 2HB SER 43 7.067 0.759 2.665 298 HG SER 43 HG SER 43 8.503 0.131 5.070 299 H TYR 44 H TYR 44 5.669 -1.651 6.331 300 HA TYR 44 HA TYR 44 4.236 0.792 6.963 301 1HB TYR 44 1HB TYR 44 4.648 -1.571 8.827 302 2HB TYR 44 2HB TYR 44 3.177 -0.661 8.544 303 HD1 TYR 44 1HD TYR 44 4.573 -3.781 8.153 304 HD2 TYR 44 2HD TYR 44 2.390 -0.874 5.897 305 HE1 TYR 44 1HE TYR 44 3.734 -5.608 6.597 306 HE2 TYR 44 2HE TYR 44 1.557 -2.711 4.349 307 HH TYR 44 HH TYR 44 1.719 -4.800 3.790 308 H GLY 45 H GLY 45 4.464 1.717 9.219 309 1HA GLY 45 1HA GLY 45 6.913 2.784 9.691 310 2HA GLY 45 2HA GLY 45 5.694 2.539 10.925 311 H GLU 46 H GLU 46 5.819 -0.508 10.425 312 HA GLU 46 HA GLU 46 6.822 -2.239 11.266 313 1HB GLU 46 1HB GLU 46 8.964 -0.727 10.047 314 2HB GLU 46 2HB GLU 46 9.586 -1.499 11.494 315 1HG GLU 46 1HG GLU 46 8.227 -2.832 9.115 316 2HG GLU 46 2HG GLU 46 9.868 -3.073 9.680 317 H GLY 47 H GLY 47 6.315 0.486 12.877 318 1HA GLY 47 1HA GLY 47 7.377 -0.604 15.399 319 2HA GLY 47 2HA GLY 47 7.669 1.072 14.982 320 H GLY 48 H GLY 48 6.105 2.610 15.419 321 1HA GLY 48 1HA GLY 48 3.358 1.684 15.903 322 2HA GLY 48 2HA GLY 48 4.209 2.526 17.184 323 H ASN 49 H ASN 49 4.218 3.018 13.583 324 HA ASN 49 HA ASN 49 2.892 5.544 14.014 325 1HB ASN 49 1HB ASN 49 5.730 5.180 13.059 326 2HB ASN 49 2HB ASN 49 4.772 6.387 12.224 327 1HD2 ASN 49 1HD2 ASN 49 5.694 8.197 12.957 328 2HD2 ASN 49 2HD2 ASN 49 5.722 8.719 14.609 329 H GLY 50 H GLY 50 1.547 3.501 12.917 330 1HA GLY 50 1HA GLY 50 0.716 2.504 11.052 331 2HA GLY 50 2HA GLY 50 0.621 4.166 10.505 332 H PHE 51 H PHE 51 1.835 4.815 8.748 333 HA PHE 51 HA PHE 51 3.787 2.849 7.780 334 1HB PHE 51 1HB PHE 51 1.570 3.496 6.505 335 2HB PHE 51 2HB PHE 51 2.315 5.061 6.244 336 HD1 PHE 51 1HD PHE 51 2.080 1.673 5.109 337 HD2 PHE 51 2HD PHE 51 4.506 5.151 4.962 338 HE1 PHE 51 1HE PHE 51 3.233 0.784 3.064 339 HE2 PHE 51 2HE PHE 51 5.658 4.262 2.918 340 HZ PHE 51 HZ PHE 51 5.008 2.089 1.993 341 H GLN 52 H GLN 52 5.746 3.663 6.752 342 HA GLN 52 HA GLN 52 6.269 6.465 7.082 343 1HB GLN 52 1HB GLN 52 7.006 4.732 9.153 344 2HB GLN 52 2HB GLN 52 8.483 4.890 8.225 345 1HG GLN 52 1HG GLN 52 6.851 7.344 8.971 346 2HG GLN 52 2HG GLN 52 7.989 6.648 10.107 347 1HE2 GLN 52 1HE2 GLN 52 10.192 6.136 9.159 348 2HE2 GLN 52 2HE2 GLN 52 10.922 7.342 8.150 349 H CYS 53 H CYS 53 7.419 7.164 5.323 350 HA CYS 53 HA CYS 53 8.343 5.193 3.476 351 1HB CYS 53 1HB CYS 53 7.869 8.107 3.477 352 2HB CYS 53 2HB CYS 53 9.192 7.575 2.458 353 HA PRO 54 HA PRO 54 12.516 5.298 4.719 354 1HB PRO 54 1HB PRO 54 13.825 4.658 2.406 355 2HB PRO 54 2HB PRO 54 13.041 3.467 3.424 356 1HG PRO 54 1HG PRO 54 12.143 4.569 0.832 357 2HG PRO 54 2HG PRO 54 11.618 3.107 1.645 358 1HD PRO 54 1HD PRO 54 10.197 5.595 1.503 359 2HD PRO 54 2HD PRO 54 9.729 4.171 2.411 360 H THR 55 H THR 55 14.824 6.145 4.146 361 HA THR 55 HA THR 55 14.546 8.943 4.079 362 HB THR 55 HB THR 55 16.879 6.986 3.843 363 HG1 THR 55 1HG THR 55 16.355 7.136 5.994 364 1HG2 THR 55 1HG2 THR 55 18.276 9.030 4.479 365 2HG2 THR 55 2HG2 THR 55 17.690 9.048 2.798 366 3HG2 THR 55 3HG2 THR 55 16.880 10.042 4.034 367 H GLY 56 H GLY 56 14.629 10.456 2.498 368 1HA GLY 56 1HA GLY 56 15.054 11.314 0.421 369 2HA GLY 56 2HA GLY 56 15.591 9.744 -0.141 370 H TYR 57 H TYR 57 12.778 9.003 1.438 371 HA TYR 57 HA TYR 57 11.180 9.425 -0.997 372 1HB TYR 57 1HB TYR 57 11.464 7.211 1.108 373 2HB TYR 57 2HB TYR 57 10.017 7.297 0.123 374 HD1 TYR 57 1HD TYR 57 10.262 7.142 -2.420 375 HD2 TYR 57 2HD TYR 57 13.441 6.198 0.284 376 HE1 TYR 57 1HE TYR 57 11.437 5.826 -4.250 377 HE2 TYR 57 2HE TYR 57 14.605 4.885 -1.556 378 HH TYR 57 HH TYR 57 14.101 5.232 -4.611 379 H ARG 58 H ARG 58 8.924 9.903 -0.738 380 HA ARG 58 HA ARG 58 8.082 10.431 1.965 381 1HB ARG 58 1HB ARG 58 7.172 12.719 1.166 382 2HB ARG 58 2HB ARG 58 8.902 12.618 1.428 383 1HG ARG 58 1HG ARG 58 9.337 12.380 -0.953 384 2HG ARG 58 2HG ARG 58 7.637 12.148 -1.306 385 1HD ARG 58 1HD ARG 58 8.793 14.713 -0.110 386 2HD ARG 58 2HD ARG 58 8.486 14.483 -1.820 387 HE ARG 58 HE ARG 58 6.074 13.824 -0.527 388 1HH1 ARG 58 1HH1 ARG 58 8.137 16.689 -0.811 389 2HH1 ARG 58 2HH1 ARG 58 6.826 17.805 -0.621 390 1HH2 ARG 58 1HH2 ARG 58 4.605 16.964 -0.306 391 H GLN 59 H GLN 59 5.972 9.722 2.211 392 HA GLN 59 HA GLN 59 4.631 8.314 0.440 393 1HB GLN 59 1HB GLN 59 2.605 8.729 1.733 394 2HB GLN 59 2HB GLN 59 3.976 8.682 2.825 395 1HG GLN 59 1HG GLN 59 3.309 10.709 3.599 396 2HG GLN 59 2HG GLN 59 3.841 11.386 2.073 397 1HE2 GLN 59 1HE2 GLN 59 1.105 9.550 3.429 398 2HE2 GLN 59 2HE2 GLN 59 -0.162 10.428 2.639 399 H CYS 60 H CYS 60 3.552 8.583 -1.483 400 HA CYS 60 HA CYS 60 3.527 11.210 -2.607 401 1HB CYS 60 1HB CYS 60 3.874 8.769 -3.677 402 2HB CYS 60 2HB CYS 60 2.156 8.955 -3.974 Start of MODEL 17 1 1H ASP 1 1H ASP 1 -21.616 -7.072 -7.401 2 HA ASP 1 HA ASP 1 -22.736 -9.016 -5.725 3 1HB ASP 1 1HB ASP 1 -19.783 -9.089 -5.365 4 2HB ASP 1 2HB ASP 1 -20.956 -10.377 -5.184 5 H ARG 2 H ARG 2 -21.644 -8.643 -3.352 6 HA ARG 2 HA ARG 2 -21.560 -5.794 -3.076 7 1HB ARG 2 1HB ARG 2 -21.353 -7.874 -0.850 8 2HB ARG 2 2HB ARG 2 -21.876 -6.208 -0.699 9 1HG ARG 2 1HG ARG 2 -23.377 -8.133 -2.507 10 2HG ARG 2 2HG ARG 2 -23.692 -8.106 -0.784 11 1HD ARG 2 1HD ARG 2 -25.288 -6.590 -1.739 12 2HD ARG 2 2HD ARG 2 -24.070 -5.568 -1.003 13 HE ARG 2 HE ARG 2 -23.463 -6.176 -3.793 14 1HH1 ARG 2 1HH1 ARG 2 -25.318 -4.027 -1.674 15 2HH1 ARG 2 2HH1 ARG 2 -25.408 -2.750 -2.841 16 1HH2 ARG 2 1HH2 ARG 2 -24.379 -3.045 -4.985 17 H CYS 3 H CYS 3 -19.894 -4.852 -1.429 18 HA CYS 3 HA CYS 3 -17.840 -4.636 -0.620 19 1HB CYS 3 1HB CYS 3 -16.779 -6.454 0.040 20 2HB CYS 3 2HB CYS 3 -17.961 -7.408 -0.833 21 H ARG 4 H ARG 4 -15.669 -3.994 -1.541 22 HA ARG 4 HA ARG 4 -15.897 -3.728 -4.432 23 1HB ARG 4 1HB ARG 4 -15.907 -1.655 -2.682 24 2HB ARG 4 2HB ARG 4 -14.171 -1.842 -2.828 25 1HG ARG 4 1HG ARG 4 -14.445 -0.458 -4.643 26 2HG ARG 4 2HG ARG 4 -14.830 -1.954 -5.469 27 1HD ARG 4 1HD ARG 4 -17.071 -0.524 -4.039 28 2HD ARG 4 2HD ARG 4 -16.492 0.162 -5.543 29 HE ARG 4 HE ARG 4 -16.837 -2.585 -6.053 30 1HH1 ARG 4 1HH1 ARG 4 -18.898 0.124 -5.071 31 2HH1 ARG 4 2HH1 ARG 4 -20.324 -0.535 -5.800 32 1HH2 ARG 4 1HH2 ARG 4 -20.196 -2.641 -6.937 33 H TYR 5 H TYR 5 -14.623 -5.531 -5.051 34 HA TYR 5 HA TYR 5 -12.477 -6.617 -3.872 35 1HB TYR 5 1HB TYR 5 -11.743 -6.813 -6.462 36 2HB TYR 5 2HB TYR 5 -13.216 -7.592 -5.921 37 HD1 TYR 5 1HD TYR 5 -11.870 -4.612 -7.671 38 HD2 TYR 5 2HD TYR 5 -15.364 -6.888 -6.715 39 HE1 TYR 5 1HE TYR 5 -13.208 -3.291 -9.382 40 HE2 TYR 5 2HE TYR 5 -16.690 -5.559 -8.430 41 HH TYR 5 HH TYR 5 -15.243 -3.688 -10.769 42 H THR 6 H THR 6 -10.496 -5.964 -3.206 43 HA THR 6 HA THR 6 -9.184 -3.833 -4.733 44 HB THR 6 HB THR 6 -9.296 -3.886 -1.680 45 HG1 THR 6 1HG THR 6 -10.960 -2.166 -2.155 46 1HG2 THR 6 1HG2 THR 6 -7.588 -2.366 -2.343 47 2HG2 THR 6 2HG2 THR 6 -8.446 -1.915 -3.836 48 3HG2 THR 6 3HG2 THR 6 -9.025 -1.320 -2.262 49 H LEU 7 H LEU 7 -6.805 -3.632 -4.016 50 HA LEU 7 HA LEU 7 -5.823 -6.378 -3.704 51 1HB LEU 7 1HB LEU 7 -4.703 -3.964 -5.118 52 2HB LEU 7 2HB LEU 7 -3.731 -5.374 -4.748 53 HG LEU 7 HG LEU 7 -6.007 -6.409 -6.012 54 1HD1 LEU 7 1HD1 LEU 7 -5.999 -5.137 -8.180 55 2HD1 LEU 7 2HD1 LEU 7 -6.745 -4.289 -6.804 56 3HD1 LEU 7 3HD1 LEU 7 -5.107 -3.845 -7.341 57 1HD2 LEU 7 1HD2 LEU 7 -3.158 -5.923 -6.855 58 2HD2 LEU 7 2HD2 LEU 7 -3.950 -7.441 -6.372 59 3HD2 LEU 7 3HD2 LEU 7 -4.329 -6.703 -7.945 60 H CYS 8 H CYS 8 -4.489 -6.905 -2.012 61 HA CYS 8 HA CYS 8 -3.538 -4.676 -0.381 62 1HB CYS 8 1HB CYS 8 -4.946 -7.144 0.657 63 2HB CYS 8 2HB CYS 8 -4.082 -5.994 1.658 64 H CYS 9 H CYS 9 -1.743 -5.510 1.167 65 HA CYS 9 HA CYS 9 -0.200 -7.514 -0.300 66 1HB CYS 9 1HB CYS 9 0.514 -5.042 1.182 67 2HB CYS 9 2HB CYS 9 1.625 -6.390 1.325 68 H ASP 10 H ASP 10 0.841 -9.224 0.930 69 HA ASP 10 HA ASP 10 -0.643 -9.857 3.298 70 1HB ASP 10 1HB ASP 10 -0.376 -11.752 1.940 71 2HB ASP 10 2HB ASP 10 1.239 -11.294 1.436 72 H GLY 11 H GLY 11 2.299 -8.296 2.396 73 1HA GLY 11 1HA GLY 11 3.802 -7.287 3.800 74 2HA GLY 11 2HA GLY 11 3.208 -8.233 5.151 75 H ALA 12 H ALA 12 3.391 -10.792 3.440 76 HA ALA 12 HA ALA 12 6.242 -11.030 3.021 77 1HB ALA 12 1HB ALA 12 4.757 -12.581 5.177 78 2HB ALA 12 2HB ALA 12 6.394 -12.969 4.595 79 3HB ALA 12 3HB ALA 12 6.086 -11.422 5.421 80 H LEU 13 H LEU 13 5.077 -11.156 0.848 81 HA LEU 13 HA LEU 13 5.116 -13.706 -0.111 82 1HB LEU 13 1HB LEU 13 3.292 -14.456 1.087 83 2HB LEU 13 2HB LEU 13 2.431 -12.935 0.959 84 HG LEU 13 HG LEU 13 2.657 -13.815 -1.687 85 1HD1 LEU 13 1HD1 LEU 13 3.293 -16.010 -1.253 86 2HD1 LEU 13 2HD1 LEU 13 2.266 -16.130 0.196 87 3HD1 LEU 13 3HD1 LEU 13 1.524 -16.120 -1.422 88 1HD2 LEU 13 1HD2 LEU 13 0.139 -14.451 -1.176 89 2HD2 LEU 13 2HD2 LEU 13 0.488 -13.617 0.357 90 3HD2 LEU 13 3HD2 LEU 13 0.694 -12.759 -1.189 91 H LYS 14 H LYS 14 2.294 -11.651 -0.866 92 HA LYS 14 HA LYS 14 3.606 -9.959 -2.674 93 1HB LYS 14 1HB LYS 14 3.258 -10.920 -4.767 94 2HB LYS 14 2HB LYS 14 3.874 -12.248 -3.804 95 1HG LYS 14 1HG LYS 14 1.108 -12.385 -3.365 96 2HG LYS 14 2HG LYS 14 1.215 -11.908 -5.048 97 1HD LYS 14 1HD LYS 14 2.427 -14.373 -3.734 98 2HD LYS 14 2HD LYS 14 1.231 -14.322 -5.014 99 1HE LYS 14 1HE LYS 14 3.390 -12.850 -6.067 100 2HE LYS 14 2HE LYS 14 4.169 -14.157 -5.197 101 1HZ LYS 14 1HZ LYS 14 2.575 -14.297 -7.592 102 2HZ LYS 14 2HZ LYS 14 3.687 -15.352 -7.039 103 H ALA 15 H ALA 15 2.071 -8.530 -3.769 104 HA ALA 15 HA ALA 15 -0.254 -8.152 -2.177 105 1HB ALA 15 1HB ALA 15 1.287 -6.417 -3.340 106 2HB ALA 15 2HB ALA 15 0.354 -6.785 -4.810 107 3HB ALA 15 3HB ALA 15 -0.469 -6.130 -3.374 108 H VAL 16 H VAL 16 -2.180 -9.161 -2.409 109 HA VAL 16 HA VAL 16 -2.837 -10.136 -5.104 110 HB VAL 16 HB VAL 16 -4.248 -11.648 -3.206 111 1HG1 VAL 16 1HG1 VAL 16 -1.779 -12.376 -4.818 112 2HG1 VAL 16 2HG1 VAL 16 -2.951 -13.517 -4.118 113 3HG1 VAL 16 3HG1 VAL 16 -3.456 -12.402 -5.410 114 1HG2 VAL 16 1HG2 VAL 16 -1.301 -11.556 -2.482 115 2HG2 VAL 16 2HG2 VAL 16 -2.609 -10.835 -1.513 116 3HG2 VAL 16 3HG2 VAL 16 -2.552 -12.597 -1.763 117 H SER 17 H SER 17 -5.404 -10.635 -5.085 118 HA SER 17 HA SER 17 -6.560 -8.150 -4.102 119 1HB SER 17 1HB SER 17 -6.669 -8.351 -6.528 120 2HB SER 17 2HB SER 17 -7.335 -9.969 -6.421 121 HG SER 17 HG SER 17 -8.714 -7.766 -5.190 122 H ALA 18 H ALA 18 -8.716 -8.221 -3.121 123 HA ALA 18 HA ALA 18 -9.808 -10.835 -2.537 124 1HB ALA 18 1HB ALA 18 -8.121 -10.569 -0.774 125 2HB ALA 18 2HB ALA 18 -8.781 -8.969 -0.359 126 3HB ALA 18 3HB ALA 18 -9.757 -10.431 -0.087 127 H CYS 19 H CYS 19 -11.950 -10.572 -1.328 128 HA CYS 19 HA CYS 19 -13.283 -8.287 -2.489 129 1HB CYS 19 1HB CYS 19 -14.324 -10.400 -2.866 130 2HB CYS 19 2HB CYS 19 -14.278 -10.811 -1.163 131 H LEU 20 H LEU 20 -12.474 -6.578 -1.111 132 HA LEU 20 HA LEU 20 -13.003 -6.866 1.736 133 1HB LEU 20 1HB LEU 20 -11.020 -5.592 0.173 134 2HB LEU 20 2HB LEU 20 -11.919 -4.319 0.974 135 HG LEU 20 HG LEU 20 -11.428 -5.218 3.146 136 1HD1 LEU 20 1HD1 LEU 20 -11.491 -7.490 3.161 137 2HD1 LEU 20 2HD1 LEU 20 -10.633 -7.641 1.608 138 3HD1 LEU 20 3HD1 LEU 20 -9.726 -7.270 3.094 139 1HD2 LEU 20 1HD2 LEU 20 -9.679 -3.882 1.815 140 2HD2 LEU 20 2HD2 LEU 20 -9.148 -4.740 3.280 141 3HD2 LEU 20 3HD2 LEU 20 -8.808 -5.428 1.673 142 H HIS 21 H HIS 21 -13.867 -4.677 2.772 143 HA HIS 21 HA HIS 21 -16.020 -3.671 1.073 144 1HB HIS 21 1HB HIS 21 -16.333 -4.629 3.932 145 2HB HIS 21 2HB HIS 21 -17.568 -3.811 2.997 146 HD1 HIS 21 1HD HIS 21 -15.480 -7.019 2.813 147 HD2 HIS 21 2HD HIS 21 -19.182 -5.496 1.558 148 HE1 HIS 21 1HE HIS 21 -16.733 -8.971 1.748 149 H GLU 22 H GLU 22 -17.171 -1.802 2.655 150 HA GLU 22 HA GLU 22 -15.412 0.263 2.584 151 1HB GLU 22 1HB GLU 22 -17.098 1.553 3.670 152 2HB GLU 22 2HB GLU 22 -17.967 0.312 2.790 153 1HG GLU 22 1HG GLU 22 -17.211 0.085 5.741 154 2HG GLU 22 2HG GLU 22 -18.767 0.661 5.176 155 H SER 23 H SER 23 -16.079 -2.062 5.221 156 HA SER 23 HA SER 23 -14.470 -0.569 7.053 157 1HB SER 23 1HB SER 23 -16.413 -2.712 7.189 158 2HB SER 23 2HB SER 23 -14.953 -3.229 8.010 159 HG SER 23 HG SER 23 -16.524 -0.858 8.538 160 H GLU 24 H GLU 24 -13.545 -1.998 4.368 161 HA GLU 24 HA GLU 24 -12.038 -4.106 4.636 162 1HB GLU 24 1HB GLU 24 -11.419 -3.344 2.604 163 2HB GLU 24 2HB GLU 24 -11.942 -1.723 3.017 164 1HG GLU 24 1HG GLU 24 -9.246 -2.856 3.888 165 2HG GLU 24 2HG GLU 24 -9.463 -1.981 2.385 166 H SER 25 H SER 25 -10.011 -4.776 5.488 167 HA SER 25 HA SER 25 -8.483 -2.835 6.942 168 1HB SER 25 1HB SER 25 -8.599 -3.946 9.089 169 2HB SER 25 2HB SER 25 -10.240 -3.623 8.569 170 HG SER 25 HG SER 25 -10.417 -5.837 7.860 171 H CYS 26 H CYS 26 -6.757 -3.329 5.505 172 HA CYS 26 HA CYS 26 -5.514 -5.891 6.047 173 1HB CYS 26 1HB CYS 26 -4.999 -6.152 3.586 174 2HB CYS 26 2HB CYS 26 -6.628 -6.541 4.105 175 H LEU 27 H LEU 27 -3.256 -5.723 4.552 176 HA LEU 27 HA LEU 27 -2.089 -3.234 5.496 177 1HB LEU 27 1HB LEU 27 -1.248 -5.742 5.778 178 2HB LEU 27 2HB LEU 27 -0.492 -5.407 4.232 179 HG LEU 27 HG LEU 27 0.671 -3.463 5.215 180 1HD1 LEU 27 1HD1 LEU 27 0.662 -3.541 7.856 181 2HD1 LEU 27 2HD1 LEU 27 -0.545 -2.597 6.948 182 3HD1 LEU 27 3HD1 LEU 27 -0.973 -4.197 7.601 183 1HD2 LEU 27 1HD2 LEU 27 1.503 -5.933 5.254 184 2HD2 LEU 27 2HD2 LEU 27 2.379 -4.687 6.172 185 3HD2 LEU 27 3HD2 LEU 27 1.265 -5.793 7.012 186 H VAL 28 H VAL 28 -2.967 -1.747 3.969 187 HA VAL 28 HA VAL 28 -2.636 -2.244 1.176 188 HB VAL 28 HB VAL 28 -4.318 -0.747 2.645 189 1HG1 VAL 28 1HG1 VAL 28 -2.268 1.228 1.585 190 2HG1 VAL 28 2HG1 VAL 28 -3.843 1.634 2.309 191 3HG1 VAL 28 3HG1 VAL 28 -2.580 0.867 3.301 192 1HG2 VAL 28 1HG2 VAL 28 -5.299 -0.350 0.656 193 2HG2 VAL 28 2HG2 VAL 28 -3.850 0.433 -0.020 194 3HG2 VAL 28 3HG2 VAL 28 -3.977 -1.343 -0.004 195 HA PRO 29 HA PRO 29 1.343 -0.612 0.747 196 1HB PRO 29 1HB PRO 29 1.342 0.119 -1.887 197 2HB PRO 29 2HB PRO 29 1.574 -1.535 -1.350 198 1HG PRO 29 1HG PRO 29 -0.820 -0.300 -2.570 199 2HG PRO 29 2HG PRO 29 -0.415 -1.999 -2.423 200 1HD PRO 29 1HD PRO 29 -2.306 -0.540 -0.833 201 2HD PRO 29 2HD PRO 29 -1.816 -2.209 -0.612 202 H GLY 30 H GLY 30 2.539 1.385 -0.529 203 1HA GLY 30 1HA GLY 30 0.941 3.784 -0.047 204 2HA GLY 30 2HA GLY 30 2.362 3.556 0.952 205 H ASP 31 H ASP 31 1.978 5.723 -0.940 206 HA ASP 31 HA ASP 31 3.851 4.967 -3.032 207 1HB ASP 31 1HB ASP 31 2.229 7.539 -2.829 208 2HB ASP 31 2HB ASP 31 3.064 6.929 -4.244 209 H CYS 32 H CYS 32 5.967 5.457 -2.414 210 HA CYS 32 HA CYS 32 6.388 7.601 -0.525 211 1HB CYS 32 1HB CYS 32 8.101 5.405 -1.647 212 2HB CYS 32 2HB CYS 32 8.839 6.780 -0.852 213 H CYS 33 H CYS 33 6.740 9.666 -1.260 214 HA CYS 33 HA CYS 33 7.473 9.985 -4.048 215 1HB CYS 33 1HB CYS 33 5.861 11.445 -2.174 216 2HB CYS 33 2HB CYS 33 7.126 12.496 -2.778 217 H ARG 34 H ARG 34 9.610 10.290 -4.576 218 HA ARG 34 HA ARG 34 11.316 11.264 -2.428 219 1HB ARG 34 1HB ARG 34 11.955 9.007 -3.121 220 2HB ARG 34 2HB ARG 34 11.921 9.454 -4.814 221 1HG ARG 34 1HG ARG 34 13.853 10.925 -4.546 222 2HG ARG 34 2HG ARG 34 13.805 10.761 -2.802 223 1HD ARG 34 1HD ARG 34 13.966 8.146 -4.177 224 2HD ARG 34 2HD ARG 34 15.324 9.186 -4.557 225 HE ARG 34 HE ARG 34 14.615 9.002 -1.689 226 1HH1 ARG 34 1HH1 ARG 34 16.704 7.854 -4.311 227 2HH1 ARG 34 2HH1 ARG 34 17.916 7.234 -3.240 228 1HH2 ARG 34 1HH2 ARG 34 17.606 7.438 -0.872 229 H GLY 35 H GLY 35 11.053 13.525 -2.902 230 1HA GLY 35 1HA GLY 35 11.628 15.464 -3.890 231 2HA GLY 35 2HA GLY 35 12.760 14.576 -4.891 232 H LYS 36 H LYS 36 11.888 13.418 -6.851 233 HA LYS 36 HA LYS 36 9.327 14.479 -7.755 234 1HB LYS 36 1HB LYS 36 10.185 15.355 -9.783 235 2HB LYS 36 2HB LYS 36 11.165 16.030 -8.497 236 1HG LYS 36 1HG LYS 36 13.060 15.012 -9.258 237 2HG LYS 36 2HG LYS 36 12.255 13.467 -9.450 238 1HD LYS 36 1HD LYS 36 11.606 13.913 -11.662 239 2HD LYS 36 2HD LYS 36 11.596 15.650 -11.425 240 1HE LYS 36 1HE LYS 36 14.174 15.465 -11.133 241 2HE LYS 36 2HE LYS 36 14.021 13.834 -11.757 242 1HZ LYS 36 1HZ LYS 36 14.434 15.284 -13.597 243 2HZ LYS 36 2HZ LYS 36 12.868 14.855 -13.729 244 H SER 37 H SER 37 10.467 11.858 -6.747 245 HA SER 37 HA SER 37 9.687 10.350 -9.106 246 1HB SER 37 1HB SER 37 12.188 10.063 -7.463 247 2HB SER 37 2HB SER 37 11.424 8.587 -8.020 248 HG SER 37 HG SER 37 11.998 10.784 -9.807 249 H ARG 38 H ARG 38 7.696 9.574 -8.454 250 HA ARG 38 HA ARG 38 7.423 8.792 -5.695 251 1HB ARG 38 1HB ARG 38 4.956 8.455 -6.451 252 2HB ARG 38 2HB ARG 38 5.566 10.098 -6.430 253 1HG ARG 38 1HG ARG 38 5.484 10.305 -8.720 254 2HG ARG 38 2HG ARG 38 6.045 8.667 -8.995 255 1HD ARG 38 1HD ARG 38 3.220 9.360 -8.053 256 2HD ARG 38 2HD ARG 38 3.648 9.082 -9.729 257 HE ARG 38 HE ARG 38 4.554 6.880 -8.090 258 1HH1 ARG 38 1HH1 ARG 38 1.621 8.246 -9.533 259 2HH1 ARG 38 2HH1 ARG 38 0.794 6.726 -9.596 260 1HH2 ARG 38 1HH2 ARG 38 1.896 4.756 -8.791 261 H LEU 39 H LEU 39 6.792 6.634 -5.053 262 HA LEU 39 HA LEU 39 6.596 4.638 -7.147 263 1HB LEU 39 1HB LEU 39 8.758 4.149 -7.018 264 2HB LEU 39 2HB LEU 39 8.988 5.076 -5.549 265 HG LEU 39 HG LEU 39 7.573 2.470 -5.272 266 1HD1 LEU 39 1HD1 LEU 39 9.776 1.267 -5.178 267 2HD1 LEU 39 2HD1 LEU 39 9.251 1.757 -6.807 268 3HD1 LEU 39 3HD1 LEU 39 10.511 2.686 -5.962 269 1HD2 LEU 39 1HD2 LEU 39 9.164 4.323 -3.636 270 2HD2 LEU 39 2HD2 LEU 39 7.866 3.195 -3.174 271 3HD2 LEU 39 3HD2 LEU 39 9.533 2.603 -3.365 272 H THR 40 H THR 40 5.059 3.151 -6.634 273 HA THR 40 HA THR 40 4.097 3.208 -3.854 274 HB THR 40 HB THR 40 2.630 2.296 -6.377 275 HG1 THR 40 1HG THR 40 2.223 4.479 -6.648 276 1HG2 THR 40 1HG2 THR 40 1.614 1.661 -4.150 277 2HG2 THR 40 2HG2 THR 40 1.653 3.378 -3.681 278 3HG2 THR 40 3HG2 THR 40 0.625 2.847 -5.035 279 H LEU 41 H LEU 41 4.765 1.582 -2.612 280 HA LEU 41 HA LEU 41 4.571 -1.094 -3.671 281 1HB LEU 41 1HB LEU 41 6.733 -1.677 -3.725 282 2HB LEU 41 2HB LEU 41 6.932 0.019 -4.117 283 HG LEU 41 HG LEU 41 7.059 0.024 -1.353 284 1HD1 LEU 41 1HD1 LEU 41 8.050 -1.813 -0.498 285 2HD1 LEU 41 2HD1 LEU 41 7.255 -2.618 -1.872 286 3HD1 LEU 41 3HD1 LEU 41 8.967 -2.150 -1.986 287 1HD2 LEU 41 1HD2 LEU 41 8.820 0.464 -3.619 288 2HD2 LEU 41 2HD2 LEU 41 8.722 1.320 -2.061 289 3HD2 LEU 41 3HD2 LEU 41 9.708 -0.156 -2.205 290 H CYS 42 H CYS 42 5.322 -2.671 -1.749 291 HA CYS 42 HA CYS 42 3.931 -1.609 0.579 292 1HB CYS 42 1HB CYS 42 4.662 -4.487 0.042 293 2HB CYS 42 2HB CYS 42 3.528 -3.868 1.226 294 H SER 43 H SER 43 5.229 -0.835 2.206 295 HA SER 43 HA SER 43 7.473 -2.392 3.007 296 1HB SER 43 1HB SER 43 9.095 -0.472 2.856 297 2HB SER 43 2HB SER 43 8.603 -1.104 1.297 298 HG SER 43 HG SER 43 6.821 0.816 1.920 299 H TYR 44 H TYR 44 6.483 -2.568 5.053 300 HA TYR 44 HA TYR 44 5.858 -0.035 6.400 301 1HB TYR 44 1HB TYR 44 5.224 -2.817 7.445 302 2HB TYR 44 2HB TYR 44 4.250 -1.367 7.575 303 HD1 TYR 44 1HD TYR 44 5.022 -4.303 5.547 304 HD2 TYR 44 2HD TYR 44 2.830 -0.631 5.672 305 HE1 TYR 44 1HE TYR 44 3.585 -5.087 3.601 306 HE2 TYR 44 2HE TYR 44 1.401 -1.426 3.725 307 HH TYR 44 HH TYR 44 1.758 -3.070 1.785 308 H GLY 45 H GLY 45 6.148 -0.319 8.944 309 1HA GLY 45 1HA GLY 45 8.003 -1.963 10.097 310 2HA GLY 45 2HA GLY 45 8.960 -0.698 9.355 311 H GLU 46 H GLU 46 9.631 0.114 11.438 312 HA GLU 46 HA GLU 46 8.221 0.637 13.592 313 1HB GLU 46 1HB GLU 46 9.656 2.868 13.692 314 2HB GLU 46 2HB GLU 46 10.438 1.301 13.769 315 1HG GLU 46 1HG GLU 46 9.979 2.382 11.014 316 2HG GLU 46 2HG GLU 46 11.138 3.264 11.989 317 H GLY 47 H GLY 47 6.589 1.996 14.328 318 1HA GLY 47 1HA GLY 47 5.235 3.866 14.305 319 2HA GLY 47 2HA GLY 47 5.789 4.274 12.693 320 H GLY 48 H GLY 48 3.262 2.869 14.546 321 1HA GLY 48 1HA GLY 48 2.204 1.175 12.453 322 2HA GLY 48 2HA GLY 48 1.490 1.530 14.013 323 H ASN 49 H ASN 49 2.614 3.752 11.371 324 HA ASN 49 HA ASN 49 -0.021 4.958 11.498 325 1HB ASN 49 1HB ASN 49 2.468 6.130 11.566 326 2HB ASN 49 2HB ASN 49 2.157 6.199 9.843 327 1HD2 ASN 49 1HD2 ASN 49 1.021 7.818 9.084 328 2HD2 ASN 49 2HD2 ASN 49 -0.004 8.887 9.981 329 H GLY 50 H GLY 50 0.662 2.375 10.082 330 1HA GLY 50 1HA GLY 50 -0.235 1.475 8.170 331 2HA GLY 50 2HA GLY 50 -0.419 3.073 7.477 332 H PHE 51 H PHE 51 1.469 4.172 6.539 333 HA PHE 51 HA PHE 51 3.354 2.214 5.503 334 1HB PHE 51 1HB PHE 51 1.855 4.293 4.411 335 2HB PHE 51 2HB PHE 51 3.368 5.124 4.712 336 HD1 PHE 51 1HD PHE 51 2.827 1.599 3.641 337 HD2 PHE 51 2HD PHE 51 4.270 5.449 2.592 338 HE1 PHE 51 1HE PHE 51 3.763 0.666 1.508 339 HE2 PHE 51 2HE PHE 51 5.207 4.517 0.458 340 HZ PHE 51 HZ PHE 51 4.942 2.136 -0.058 341 H GLN 52 H GLN 52 5.685 2.967 5.207 342 HA GLN 52 HA GLN 52 6.502 4.889 7.191 343 1HB GLN 52 1HB GLN 52 6.414 2.458 8.178 344 2HB GLN 52 2HB GLN 52 7.841 2.168 7.204 345 1HG GLN 52 1HG GLN 52 8.490 2.871 9.480 346 2HG GLN 52 2HG GLN 52 9.009 4.065 8.307 347 1HE2 GLN 52 1HE2 GLN 52 8.982 5.881 9.451 348 2HE2 GLN 52 2HE2 GLN 52 7.602 6.571 10.239 349 H CYS 53 H CYS 53 6.887 5.978 5.047 350 HA CYS 53 HA CYS 53 8.548 4.997 3.107 351 1HB CYS 53 1HB CYS 53 7.842 7.754 4.037 352 2HB CYS 53 2HB CYS 53 9.118 7.559 2.851 353 HA PRO 54 HA PRO 54 12.356 4.934 5.276 354 1HB PRO 54 1HB PRO 54 13.974 4.147 3.218 355 2HB PRO 54 2HB PRO 54 13.035 3.024 4.181 356 1HG PRO 54 1HG PRO 54 12.535 3.972 1.426 357 2HG PRO 54 2HG PRO 54 11.878 2.565 2.239 358 1HD PRO 54 1HD PRO 54 10.529 5.047 1.745 359 2HD PRO 54 2HD PRO 54 9.914 3.684 2.659 360 H THR 55 H THR 55 14.814 5.642 4.756 361 HA THR 55 HA THR 55 14.645 8.441 4.699 362 HB THR 55 HB THR 55 16.423 6.827 5.728 363 HG1 THR 55 1HG THR 55 16.452 9.268 5.390 364 1HG2 THR 55 1HG2 THR 55 16.866 5.951 3.194 365 2HG2 THR 55 2HG2 THR 55 17.960 7.356 3.191 366 3HG2 THR 55 3HG2 THR 55 18.179 6.060 4.392 367 H GLY 56 H GLY 56 14.823 9.976 3.142 368 1HA GLY 56 1HA GLY 56 15.350 10.824 1.072 369 2HA GLY 56 2HA GLY 56 15.723 9.216 0.483 370 H TYR 57 H TYR 57 12.862 8.769 2.108 371 HA TYR 57 HA TYR 57 11.264 9.445 -0.270 372 1HB TYR 57 1HB TYR 57 11.443 7.029 1.611 373 2HB TYR 57 2HB TYR 57 9.977 7.308 0.694 374 HD1 TYR 57 1HD TYR 57 13.136 5.724 0.678 375 HD2 TYR 57 2HD TYR 57 10.307 7.616 -1.915 376 HE1 TYR 57 1HE TYR 57 14.144 4.513 -1.318 377 HE2 TYR 57 2HE TYR 57 11.325 6.399 -3.901 378 HH TYR 57 HH TYR 57 13.498 3.809 -3.508 379 H ARG 58 H ARG 58 9.091 10.121 0.090 380 HA ARG 58 HA ARG 58 8.321 10.409 2.851 381 1HB ARG 58 1HB ARG 58 8.939 12.671 0.962 382 2HB ARG 58 2HB ARG 58 7.531 12.869 1.986 383 1HG ARG 58 1HG ARG 58 8.840 13.346 3.773 384 2HG ARG 58 2HG ARG 58 9.682 11.817 3.609 385 1HD ARG 58 1HD ARG 58 11.517 13.090 3.116 386 2HD ARG 58 2HD ARG 58 10.799 13.260 1.526 387 HE ARG 58 HE ARG 58 10.096 15.463 2.071 388 1HH1 ARG 58 1HH1 ARG 58 11.497 13.863 4.905 389 2HH1 ARG 58 2HH1 ARG 58 11.619 15.326 5.824 390 1HH2 ARG 58 1HH2 ARG 58 10.884 17.389 4.851 391 H GLN 59 H GLN 59 6.183 9.788 3.033 392 HA GLN 59 HA GLN 59 4.706 8.757 1.121 393 1HB GLN 59 1HB GLN 59 3.877 10.344 3.566 394 2HB GLN 59 2HB GLN 59 2.658 9.646 2.518 395 1HG GLN 59 1HG GLN 59 3.293 7.433 3.008 396 2HG GLN 59 2HG GLN 59 4.935 7.881 3.424 397 1HE2 GLN 59 1HE2 GLN 59 5.054 9.508 5.308 398 2HE2 GLN 59 2HE2 GLN 59 4.114 9.126 6.712 399 H CYS 60 H CYS 60 3.647 9.376 -0.728 400 HA CYS 60 HA CYS 60 3.793 12.134 -1.460 401 1HB CYS 60 1HB CYS 60 3.952 9.843 -2.872 402 2HB CYS 60 2HB CYS 60 2.258 10.214 -3.124 Start of MODEL 18 1 1H ASP 1 1H ASP 1 -19.302 -13.820 -3.479 2 HA ASP 1 HA ASP 1 -21.458 -13.491 -3.761 3 1HB ASP 1 1HB ASP 1 -21.329 -13.419 -0.909 4 2HB ASP 1 2HB ASP 1 -22.232 -11.992 -1.378 5 H ARG 2 H ARG 2 -20.003 -10.903 -1.639 6 HA ARG 2 HA ARG 2 -20.160 -9.070 -3.811 7 1HB ARG 2 1HB ARG 2 -21.345 -7.705 -1.524 8 2HB ARG 2 2HB ARG 2 -21.975 -7.857 -3.152 9 1HG ARG 2 1HG ARG 2 -22.931 -10.077 -2.617 10 2HG ARG 2 2HG ARG 2 -22.217 -10.030 -1.018 11 1HD ARG 2 1HD ARG 2 -23.656 -8.244 -0.300 12 2HD ARG 2 2HD ARG 2 -24.115 -7.837 -1.942 13 HE ARG 2 HE ARG 2 -24.909 -10.516 -1.569 14 1HH1 ARG 2 1HH1 ARG 2 -25.677 -7.373 -0.123 15 2HH1 ARG 2 2HH1 ARG 2 -27.289 -7.829 0.315 16 1HH2 ARG 2 1HH2 ARG 2 -28.066 -10.036 -0.204 17 H CYS 3 H CYS 3 -18.685 -7.293 -3.514 18 HA CYS 3 HA CYS 3 -17.642 -6.525 -1.071 19 1HB CYS 3 1HB CYS 3 -15.746 -7.690 -0.684 20 2HB CYS 3 2HB CYS 3 -16.701 -8.966 -1.411 21 H ARG 4 H ARG 4 -15.725 -4.999 -1.453 22 HA ARG 4 HA ARG 4 -16.000 -3.929 -4.129 23 1HB ARG 4 1HB ARG 4 -15.115 -1.820 -3.157 24 2HB ARG 4 2HB ARG 4 -16.494 -2.391 -2.237 25 1HG ARG 4 1HG ARG 4 -14.332 -3.664 -0.985 26 2HG ARG 4 2HG ARG 4 -13.675 -2.095 -1.402 27 1HD ARG 4 1HD ARG 4 -14.723 -2.017 0.839 28 2HD ARG 4 2HD ARG 4 -15.583 -0.966 -0.269 29 HE ARG 4 HE ARG 4 -16.541 -3.605 0.738 30 1HH1 ARG 4 1HH1 ARG 4 -17.165 -0.672 -1.149 31 2HH1 ARG 4 2HH1 ARG 4 -18.872 -0.949 -1.247 32 1HH2 ARG 4 1HH2 ARG 4 -19.807 -2.895 -0.205 33 H TYR 5 H TYR 5 -14.497 -5.879 -4.719 34 HA TYR 5 HA TYR 5 -12.005 -6.354 -3.944 35 1HB TYR 5 1HB TYR 5 -13.177 -5.878 -6.750 36 2HB TYR 5 2HB TYR 5 -11.609 -6.628 -6.527 37 HD1 TYR 5 1HD TYR 5 -15.246 -7.061 -6.091 38 HD2 TYR 5 2HD TYR 5 -11.407 -8.917 -5.738 39 HE1 TYR 5 1HE TYR 5 -16.359 -9.334 -5.855 40 HE2 TYR 5 2HE TYR 5 -12.533 -11.183 -5.503 41 HH TYR 5 HH TYR 5 -16.073 -11.441 -5.440 42 H THR 6 H THR 6 -10.239 -5.152 -3.476 43 HA THR 6 HA THR 6 -9.540 -2.983 -5.295 44 HB THR 6 HB THR 6 -10.757 -1.713 -3.680 45 HG1 THR 6 1HG THR 6 -8.931 -0.738 -2.508 46 1HG2 THR 6 1HG2 THR 6 -10.801 -3.785 -2.012 47 2HG2 THR 6 2HG2 THR 6 -9.315 -3.048 -1.366 48 3HG2 THR 6 3HG2 THR 6 -10.843 -2.134 -1.350 49 H LEU 7 H LEU 7 -7.290 -2.060 -4.579 50 HA LEU 7 HA LEU 7 -5.624 -4.417 -4.272 51 1HB LEU 7 1HB LEU 7 -5.318 -1.685 -5.398 52 2HB LEU 7 2HB LEU 7 -3.883 -2.433 -4.725 53 HG LEU 7 HG LEU 7 -4.778 -4.475 -6.267 54 1HD1 LEU 7 1HD1 LEU 7 -5.206 -2.876 -8.479 55 2HD1 LEU 7 2HD1 LEU 7 -6.440 -3.806 -7.593 56 3HD1 LEU 7 3HD1 LEU 7 -6.175 -2.088 -7.210 57 1HD2 LEU 7 1HD2 LEU 7 -2.832 -4.182 -7.339 58 2HD2 LEU 7 2HD2 LEU 7 -3.222 -2.510 -7.810 59 3HD2 LEU 7 3HD2 LEU 7 -2.586 -2.850 -6.184 60 H CYS 8 H CYS 8 -4.722 -4.991 -2.372 61 HA CYS 8 HA CYS 8 -4.194 -2.861 -0.455 62 1HB CYS 8 1HB CYS 8 -5.885 -5.302 0.036 63 2HB CYS 8 2HB CYS 8 -4.997 -4.542 1.341 64 H CYS 9 H CYS 9 -2.786 -3.914 1.431 65 HA CYS 9 HA CYS 9 -0.824 -5.590 0.077 66 1HB CYS 9 1HB CYS 9 -0.598 -3.852 2.542 67 2HB CYS 9 2HB CYS 9 0.685 -4.881 1.935 68 H ASP 10 H ASP 10 -0.552 -7.716 0.725 69 HA ASP 10 HA ASP 10 -2.282 -8.620 2.828 70 1HB ASP 10 1HB ASP 10 -2.350 -10.110 1.024 71 2HB ASP 10 2HB ASP 10 -0.659 -9.875 0.627 72 H GLY 11 H GLY 11 0.922 -7.476 2.437 73 1HA GLY 11 1HA GLY 11 2.529 -7.248 4.044 74 2HA GLY 11 2HA GLY 11 1.682 -8.380 5.079 75 H ALA 12 H ALA 12 1.481 -10.278 2.591 76 HA ALA 12 HA ALA 12 4.260 -11.028 2.271 77 1HB ALA 12 1HB ALA 12 2.682 -12.167 4.326 78 2HB ALA 12 2HB ALA 12 2.740 -13.381 3.025 79 3HB ALA 12 3HB ALA 12 4.251 -12.747 3.719 80 H LEU 13 H LEU 13 3.889 -10.487 0.055 81 HA LEU 13 HA LEU 13 3.435 -12.352 -1.710 82 1HB LEU 13 1HB LEU 13 1.393 -13.155 -1.105 83 2HB LEU 13 2HB LEU 13 0.803 -11.599 -0.555 84 HG LEU 13 HG LEU 13 0.580 -10.874 -2.930 85 1HD1 LEU 13 1HD1 LEU 13 2.325 -12.706 -3.645 86 2HD1 LEU 13 2HD1 LEU 13 0.870 -13.717 -3.824 87 3HD1 LEU 13 3HD1 LEU 13 1.021 -12.203 -4.747 88 1HD2 LEU 13 1HD2 LEU 13 -1.536 -11.596 -2.939 89 2HD2 LEU 13 2HD2 LEU 13 -1.055 -13.310 -2.945 90 3HD2 LEU 13 3HD2 LEU 13 -1.117 -12.409 -1.411 91 H LYS 14 H LYS 14 2.841 -9.056 -0.656 92 HA LYS 14 HA LYS 14 3.688 -7.235 -1.735 93 1HB LYS 14 1HB LYS 14 4.703 -8.959 -3.442 94 2HB LYS 14 2HB LYS 14 3.356 -8.476 -4.452 95 1HG LYS 14 1HG LYS 14 5.136 -6.986 -5.033 96 2HG LYS 14 2HG LYS 14 4.056 -6.037 -4.031 97 1HD LYS 14 1HD LYS 14 5.937 -7.387 -2.297 98 2HD LYS 14 2HD LYS 14 6.840 -6.619 -3.587 99 1HE LYS 14 1HE LYS 14 5.084 -4.599 -2.983 100 2HE LYS 14 2HE LYS 14 5.197 -5.374 -1.415 101 1HZ LYS 14 1HZ LYS 14 7.790 -5.258 -2.218 102 2HZ LYS 14 2HZ LYS 14 7.206 -3.861 -2.816 103 H ALA 15 H ALA 15 2.423 -5.445 -2.125 104 HA ALA 15 HA ALA 15 -0.221 -5.466 -1.835 105 1HB ALA 15 1HB ALA 15 0.351 -3.452 -3.796 106 2HB ALA 15 2HB ALA 15 0.191 -3.269 -2.033 107 3HB ALA 15 3HB ALA 15 1.780 -3.631 -2.749 108 H VAL 16 H VAL 16 -1.880 -6.481 -2.834 109 HA VAL 16 HA VAL 16 -1.904 -6.509 -5.738 110 HB VAL 16 HB VAL 16 -0.812 -8.631 -4.646 111 1HG1 VAL 16 1HG1 VAL 16 -2.537 -9.120 -3.023 112 2HG1 VAL 16 2HG1 VAL 16 -3.778 -9.178 -4.298 113 3HG1 VAL 16 3HG1 VAL 16 -2.503 -10.418 -4.240 114 1HG2 VAL 16 1HG2 VAL 16 -1.090 -9.578 -6.672 115 2HG2 VAL 16 2HG2 VAL 16 -2.866 -9.508 -6.573 116 3HG2 VAL 16 3HG2 VAL 16 -1.946 -8.070 -7.075 117 H SER 17 H SER 17 -4.178 -7.886 -6.250 118 HA SER 17 HA SER 17 -6.106 -6.167 -5.064 119 1HB SER 17 1HB SER 17 -6.552 -8.504 -6.973 120 2HB SER 17 2HB SER 17 -7.671 -7.194 -6.653 121 HG SER 17 HG SER 17 -5.138 -6.305 -7.455 122 H ALA 18 H ALA 18 -7.915 -6.803 -3.744 123 HA ALA 18 HA ALA 18 -7.972 -9.568 -2.845 124 1HB ALA 18 1HB ALA 18 -7.226 -9.176 -0.748 125 2HB ALA 18 2HB ALA 18 -6.556 -7.663 -1.401 126 3HB ALA 18 3HB ALA 18 -8.152 -7.662 -0.612 127 H CYS 19 H CYS 19 -10.004 -10.040 -1.628 128 HA CYS 19 HA CYS 19 -12.097 -8.202 -2.527 129 1HB CYS 19 1HB CYS 19 -12.141 -10.471 -3.508 130 2HB CYS 19 2HB CYS 19 -12.297 -11.156 -1.903 131 H LEU 20 H LEU 20 -12.096 -6.799 -0.696 132 HA LEU 20 HA LEU 20 -12.699 -8.131 1.853 133 1HB LEU 20 1HB LEU 20 -11.410 -6.664 2.970 134 2HB LEU 20 2HB LEU 20 -10.543 -6.677 1.448 135 HG LEU 20 HG LEU 20 -12.521 -4.643 1.250 136 1HD1 LEU 20 1HD1 LEU 20 -12.458 -3.379 3.137 137 2HD1 LEU 20 2HD1 LEU 20 -12.253 -4.983 3.881 138 3HD1 LEU 20 3HD1 LEU 20 -10.835 -3.943 3.603 139 1HD2 LEU 20 1HD2 LEU 20 -10.661 -4.229 0.006 140 2HD2 LEU 20 2HD2 LEU 20 -10.269 -3.240 1.432 141 3HD2 LEU 20 3HD2 LEU 20 -9.548 -4.856 1.245 142 H HIS 21 H HIS 21 -14.098 -6.684 3.336 143 HA HIS 21 HA HIS 21 -16.226 -5.598 1.648 144 1HB HIS 21 1HB HIS 21 -16.538 -6.437 4.527 145 2HB HIS 21 2HB HIS 21 -17.778 -6.229 3.306 146 HD1 HIS 21 1HD HIS 21 -17.692 -8.869 4.825 147 HD2 HIS 21 2HD HIS 21 -15.623 -8.222 1.232 148 HE1 HIS 21 1HE HIS 21 -17.289 -11.174 3.805 149 H GLU 22 H GLU 22 -17.575 -3.835 2.926 150 HA GLU 22 HA GLU 22 -15.758 -1.738 3.372 151 1HB GLU 22 1HB GLU 22 -18.262 -1.773 2.468 152 2HB GLU 22 2HB GLU 22 -18.669 -1.566 4.160 153 1HG GLU 22 1HG GLU 22 -18.204 0.644 4.003 154 2HG GLU 22 2HG GLU 22 -16.536 0.266 3.617 155 H SER 23 H SER 23 -17.493 -4.042 5.432 156 HA SER 23 HA SER 23 -17.122 -2.505 7.787 157 1HB SER 23 1HB SER 23 -18.560 -4.867 6.999 158 2HB SER 23 2HB SER 23 -17.551 -5.301 8.363 159 HG SER 23 HG SER 23 -18.712 -4.044 9.687 160 H GLU 24 H GLU 24 -14.927 -3.944 5.800 161 HA GLU 24 HA GLU 24 -13.216 -4.607 8.062 162 1HB GLU 24 1HB GLU 24 -14.111 -6.605 6.605 163 2HB GLU 24 2HB GLU 24 -12.968 -6.043 5.403 164 1HG GLU 24 1HG GLU 24 -11.703 -7.619 6.627 165 2HG GLU 24 2HG GLU 24 -11.200 -6.093 7.327 166 H SER 25 H SER 25 -10.895 -4.197 7.691 167 HA SER 25 HA SER 25 -10.488 -2.374 5.450 168 1HB SER 25 1HB SER 25 -10.191 -1.905 8.319 169 2HB SER 25 2HB SER 25 -8.662 -1.656 7.501 170 HG SER 25 HG SER 25 -9.703 -0.157 6.061 171 H CYS 26 H CYS 26 -8.037 -2.129 4.933 172 HA CYS 26 HA CYS 26 -6.585 -4.560 5.630 173 1HB CYS 26 1HB CYS 26 -5.787 -4.485 3.144 174 2HB CYS 26 2HB CYS 26 -7.257 -5.325 3.597 175 H LEU 27 H LEU 27 -4.195 -4.179 4.486 176 HA LEU 27 HA LEU 27 -3.384 -1.584 5.528 177 1HB LEU 27 1HB LEU 27 -2.396 -3.957 6.082 178 2HB LEU 27 2HB LEU 27 -1.491 -3.707 4.602 179 HG LEU 27 HG LEU 27 -0.381 -1.791 5.475 180 1HD1 LEU 27 1HD1 LEU 27 -0.917 -1.076 7.907 181 2HD1 LEU 27 2HD1 LEU 27 -1.972 -0.519 6.585 182 3HD1 LEU 27 3HD1 LEU 27 -2.484 -1.872 7.624 183 1HD2 LEU 27 1HD2 LEU 27 -0.452 -4.251 7.126 184 2HD2 LEU 27 2HD2 LEU 27 0.904 -3.458 6.290 185 3HD2 LEU 27 3HD2 LEU 27 0.334 -2.831 7.855 186 H VAL 28 H VAL 28 -3.805 -0.037 3.980 187 HA VAL 28 HA VAL 28 -3.439 -0.541 1.222 188 HB VAL 28 HB VAL 28 -3.807 1.966 2.864 189 1HG1 VAL 28 1HG1 VAL 28 -2.574 2.187 0.567 190 2HG1 VAL 28 2HG1 VAL 28 -4.188 1.887 -0.120 191 3HG1 VAL 28 3HG1 VAL 28 -3.924 3.281 0.954 192 1HG2 VAL 28 1HG2 VAL 28 -6.061 1.799 2.437 193 2HG2 VAL 28 2HG2 VAL 28 -5.824 0.886 0.928 194 3HG2 VAL 28 3HG2 VAL 28 -5.628 0.073 2.499 195 HA PRO 29 HA PRO 29 0.813 0.201 0.934 196 1HB PRO 29 1HB PRO 29 1.045 0.659 -1.751 197 2HB PRO 29 2HB PRO 29 0.944 -0.948 -1.058 198 1HG PRO 29 1HG PRO 29 -1.129 0.579 -2.511 199 2HG PRO 29 2HG PRO 29 -1.055 -1.143 -2.191 200 1HD PRO 29 1HD PRO 29 -2.697 0.784 -0.842 201 2HD PRO 29 2HD PRO 29 -2.536 -0.915 -0.447 202 H GLY 30 H GLY 30 2.386 1.817 -0.504 203 1HA GLY 30 1HA GLY 30 1.251 4.502 -0.259 204 2HA GLY 30 2HA GLY 30 2.616 4.106 0.767 205 H ASP 31 H ASP 31 2.511 6.107 -1.403 206 HA ASP 31 HA ASP 31 4.328 4.850 -3.299 207 1HB ASP 31 1HB ASP 31 2.859 7.518 -3.527 208 2HB ASP 31 2HB ASP 31 3.804 6.755 -4.790 209 H CYS 32 H CYS 32 6.462 5.237 -2.665 210 HA CYS 32 HA CYS 32 7.033 7.605 -1.116 211 1HB CYS 32 1HB CYS 32 8.467 5.063 -1.744 212 2HB CYS 32 2HB CYS 32 9.426 6.468 -1.328 213 H CYS 33 H CYS 33 7.690 9.486 -2.100 214 HA CYS 33 HA CYS 33 8.679 9.244 -4.841 215 1HB CYS 33 1HB CYS 33 7.068 11.314 -3.413 216 2HB CYS 33 2HB CYS 33 8.148 11.840 -4.689 217 H ARG 34 H ARG 34 10.735 10.090 -5.339 218 HA ARG 34 HA ARG 34 12.051 11.578 -3.245 219 1HB ARG 34 1HB ARG 34 12.952 9.466 -2.684 220 2HB ARG 34 2HB ARG 34 12.914 8.893 -4.340 221 1HG ARG 34 1HG ARG 34 15.243 9.386 -3.504 222 2HG ARG 34 2HG ARG 34 14.821 10.278 -4.953 223 1HD ARG 34 1HD ARG 34 15.436 12.159 -3.825 224 2HD ARG 34 2HD ARG 34 13.950 11.984 -2.912 225 HE ARG 34 HE ARG 34 15.560 10.336 -1.493 226 1HH1 ARG 34 1HH1 ARG 34 16.219 13.572 -2.779 227 2HH1 ARG 34 2HH1 ARG 34 17.351 13.972 -1.530 228 1HH2 ARG 34 1HH2 ARG 34 17.826 12.366 0.183 229 H GLY 35 H GLY 35 13.191 13.300 -4.127 230 1HA GLY 35 1HA GLY 35 13.976 14.709 -5.695 231 2HA GLY 35 2HA GLY 35 14.760 13.299 -6.378 232 H LYS 36 H LYS 36 13.936 12.302 -8.253 233 HA LYS 36 HA LYS 36 11.453 13.455 -9.302 234 1HB LYS 36 1HB LYS 36 12.490 13.588 -11.536 235 2HB LYS 36 2HB LYS 36 13.242 14.667 -10.378 236 1HG LYS 36 1HG LYS 36 15.089 13.043 -10.024 237 2HG LYS 36 2HG LYS 36 14.324 11.905 -11.113 238 1HD LYS 36 1HD LYS 36 15.751 12.897 -12.636 239 2HD LYS 36 2HD LYS 36 14.408 14.013 -12.796 240 1HE LYS 36 1HE LYS 36 15.450 15.552 -11.148 241 2HE LYS 36 2HE LYS 36 16.762 14.419 -10.887 242 1HZ LYS 36 1HZ LYS 36 16.169 15.869 -13.406 243 2HZ LYS 36 2HZ LYS 36 17.500 16.021 -12.480 244 H SER 37 H SER 37 11.408 11.128 -7.869 245 HA SER 37 HA SER 37 10.746 9.287 -9.957 246 1HB SER 37 1HB SER 37 12.996 8.802 -8.001 247 2HB SER 37 2HB SER 37 12.013 7.443 -8.507 248 HG SER 37 HG SER 37 13.685 7.533 -9.989 249 H ARG 38 H ARG 38 9.399 7.454 -9.096 250 HA ARG 38 HA ARG 38 8.539 7.858 -6.373 251 1HB ARG 38 1HB ARG 38 6.958 9.217 -7.696 252 2HB ARG 38 2HB ARG 38 6.670 7.882 -8.795 253 1HG ARG 38 1HG ARG 38 5.770 6.534 -6.845 254 2HG ARG 38 2HG ARG 38 5.963 7.944 -5.823 255 1HD ARG 38 1HD ARG 38 3.701 8.102 -6.491 256 2HD ARG 38 2HD ARG 38 4.500 9.193 -7.605 257 HE ARG 38 HE ARG 38 4.558 6.691 -8.873 258 1HH1 ARG 38 1HH1 ARG 38 2.040 8.866 -7.657 259 2HH1 ARG 38 2HH1 ARG 38 0.859 8.346 -8.812 260 1HH2 ARG 38 1HH2 ARG 38 1.446 6.662 -10.414 261 H LEU 39 H LEU 39 7.454 5.935 -5.468 262 HA LEU 39 HA LEU 39 7.256 3.619 -7.180 263 1HB LEU 39 1HB LEU 39 9.445 3.181 -6.760 264 2HB LEU 39 2HB LEU 39 9.450 4.018 -5.221 265 HG LEU 39 HG LEU 39 7.940 1.434 -5.506 266 1HD1 LEU 39 1HD1 LEU 39 10.517 1.468 -6.292 267 2HD1 LEU 39 2HD1 LEU 39 10.735 1.249 -4.539 268 3HD1 LEU 39 3HD1 LEU 39 9.752 0.089 -5.465 269 1HD2 LEU 39 1HD2 LEU 39 9.457 1.984 -3.060 270 2HD2 LEU 39 2HD2 LEU 39 8.234 3.221 -3.436 271 3HD2 LEU 39 3HD2 LEU 39 7.755 1.514 -3.281 272 H THR 40 H THR 40 5.605 2.296 -6.515 273 HA THR 40 HA THR 40 4.421 2.977 -3.904 274 HB THR 40 HB THR 40 3.066 1.861 -6.412 275 HG1 THR 40 1HG THR 40 2.914 4.019 -6.958 276 1HG2 THR 40 1HG2 THR 40 1.774 1.534 -4.295 277 2HG2 THR 40 2HG2 THR 40 2.001 3.254 -3.898 278 3HG2 THR 40 3HG2 THR 40 1.020 2.788 -5.309 279 H LEU 41 H LEU 41 4.858 1.522 -2.377 280 HA LEU 41 HA LEU 41 4.387 -1.255 -3.000 281 1HB LEU 41 1HB LEU 41 6.460 -2.065 -2.865 282 2HB LEU 41 2HB LEU 41 6.902 -0.462 -3.422 283 HG LEU 41 HG LEU 41 6.848 -0.149 -0.671 284 1HD1 LEU 41 1HD1 LEU 41 8.364 -2.708 -1.090 285 2HD1 LEU 41 2HD1 LEU 41 7.788 -1.959 0.418 286 3HD1 LEU 41 3HD1 LEU 41 6.631 -2.743 -0.685 287 1HD2 LEU 41 1HD2 LEU 41 8.623 0.897 -1.578 288 2HD2 LEU 41 2HD2 LEU 41 9.478 -0.598 -1.127 289 3HD2 LEU 41 3HD2 LEU 41 8.894 -0.375 -2.793 290 H CYS 42 H CYS 42 4.719 -2.580 -0.844 291 HA CYS 42 HA CYS 42 3.309 -1.047 1.158 292 1HB CYS 42 1HB CYS 42 4.011 -3.964 1.358 293 2HB CYS 42 2HB CYS 42 2.702 -3.094 2.131 294 H SER 43 H SER 43 4.425 -0.061 2.805 295 HA SER 43 HA SER 43 6.657 -1.438 3.945 296 1HB SER 43 1HB SER 43 7.028 1.359 2.783 297 2HB SER 43 2HB SER 43 8.223 0.469 3.705 298 HG SER 43 HG SER 43 8.692 -0.782 1.998 299 H TYR 44 H TYR 44 6.013 -1.398 6.071 300 HA TYR 44 HA TYR 44 4.504 0.886 7.032 301 1HB TYR 44 1HB TYR 44 5.483 -1.449 8.710 302 2HB TYR 44 2HB TYR 44 3.910 -0.679 8.745 303 HD1 TYR 44 1HD TYR 44 3.444 -0.862 5.671 304 HD2 TYR 44 2HD TYR 44 4.679 -3.712 8.613 305 HE1 TYR 44 1HE TYR 44 2.494 -2.746 4.255 306 HE2 TYR 44 2HE TYR 44 3.724 -5.587 7.186 307 HH TYR 44 HH TYR 44 1.912 -5.776 5.444 308 H GLY 45 H GLY 45 5.067 1.854 9.190 309 1HA GLY 45 1HA GLY 45 8.005 2.098 9.438 310 2HA GLY 45 2HA GLY 45 6.859 3.393 9.724 311 H GLU 46 H GLU 46 5.733 3.539 11.706 312 HA GLU 46 HA GLU 46 6.896 2.760 13.937 313 1HB GLU 46 1HB GLU 46 4.765 3.115 15.092 314 2HB GLU 46 2HB GLU 46 4.931 4.279 13.793 315 1HG GLU 46 1HG GLU 46 3.223 3.345 12.539 316 2HG GLU 46 2HG GLU 46 3.593 1.709 13.046 317 H GLY 47 H GLY 47 6.499 1.076 15.601 318 1HA GLY 47 1HA GLY 47 6.366 -1.534 14.407 319 2HA GLY 47 2HA GLY 47 6.639 -1.134 16.091 320 H GLY 48 H GLY 48 3.913 -0.415 13.789 321 1HA GLY 48 1HA GLY 48 2.124 -2.132 15.293 322 2HA GLY 48 2HA GLY 48 1.815 -0.415 15.459 323 H ASN 49 H ASN 49 1.350 0.885 13.504 324 HA ASN 49 HA ASN 49 0.702 -0.724 11.187 325 1HB ASN 49 1HB ASN 49 -1.318 -0.160 12.896 326 2HB ASN 49 2HB ASN 49 -1.289 1.381 12.061 327 1HD2 ASN 49 1HD2 ASN 49 -2.956 1.381 10.746 328 2HD2 ASN 49 2HD2 ASN 49 -3.357 0.171 9.574 329 H GLY 50 H GLY 50 -0.789 1.618 10.001 330 1HA GLY 50 1HA GLY 50 -0.415 3.553 8.915 331 2HA GLY 50 2HA GLY 50 0.761 3.975 10.143 332 H PHE 51 H PHE 51 1.064 4.562 7.335 333 HA PHE 51 HA PHE 51 3.229 2.710 6.625 334 1HB PHE 51 1HB PHE 51 1.302 2.857 5.024 335 2HB PHE 51 2HB PHE 51 1.416 4.607 5.015 336 HD1 PHE 51 1HD PHE 51 3.491 5.673 4.020 337 HD2 PHE 51 2HD PHE 51 2.581 1.557 3.536 338 HE1 PHE 51 1HE PHE 51 5.050 5.560 2.056 339 HE2 PHE 51 2HE PHE 51 4.140 1.444 1.571 340 HZ PHE 51 HZ PHE 51 5.354 3.447 0.855 341 H GLN 52 H GLN 52 5.223 3.603 5.814 342 HA GLN 52 HA GLN 52 5.481 6.470 6.124 343 1HB GLN 52 1HB GLN 52 6.318 4.750 8.144 344 2HB GLN 52 2HB GLN 52 7.790 4.976 7.221 345 1HG GLN 52 1HG GLN 52 6.352 7.516 7.577 346 2HG GLN 52 2HG GLN 52 6.700 6.760 9.119 347 1HE2 GLN 52 1HE2 GLN 52 7.889 8.574 6.542 348 2HE2 GLN 52 2HE2 GLN 52 9.577 8.585 6.933 349 H CYS 53 H CYS 53 8.114 6.880 5.571 350 HA CYS 53 HA CYS 53 8.535 5.356 3.104 351 1HB CYS 53 1HB CYS 53 8.453 8.273 3.582 352 2HB CYS 53 2HB CYS 53 9.789 7.711 2.596 353 HA PRO 54 HA PRO 54 12.408 4.583 4.967 354 1HB PRO 54 1HB PRO 54 13.742 3.513 2.836 355 2HB PRO 54 2HB PRO 54 12.635 2.592 3.834 356 1HG PRO 54 1HG PRO 54 12.222 3.658 1.108 357 2HG PRO 54 2HG PRO 54 11.327 2.404 1.944 358 1HD PRO 54 1HD PRO 54 10.494 5.116 1.522 359 2HD PRO 54 2HD PRO 54 9.654 3.895 2.456 360 H THR 55 H THR 55 14.885 4.884 4.585 361 HA THR 55 HA THR 55 15.234 7.658 4.359 362 HB THR 55 HB THR 55 17.141 5.264 4.324 363 HG1 THR 55 1HG THR 55 16.348 7.338 6.246 364 1HG2 THR 55 1HG2 THR 55 17.719 8.242 4.759 365 2HG2 THR 55 2HG2 THR 55 18.876 6.918 5.032 366 3HG2 THR 55 3HG2 THR 55 18.302 7.273 3.386 367 H GLY 56 H GLY 56 15.643 9.021 2.714 368 1HA GLY 56 1HA GLY 56 16.460 9.631 0.644 369 2HA GLY 56 2HA GLY 56 16.605 7.947 0.180 370 H TYR 57 H TYR 57 13.610 8.139 1.650 371 HA TYR 57 HA TYR 57 12.290 8.844 -0.885 372 1HB TYR 57 1HB TYR 57 11.963 6.601 1.180 373 2HB TYR 57 2HB TYR 57 10.602 7.046 0.170 374 HD1 TYR 57 1HD TYR 57 11.008 7.016 -2.416 375 HD2 TYR 57 2HD TYR 57 13.516 5.022 0.419 376 HE1 TYR 57 1HE TYR 57 11.878 5.485 -4.251 377 HE2 TYR 57 2HE TYR 57 14.378 3.499 -1.425 378 HH TYR 57 HH TYR 57 12.993 2.855 -4.022 379 H ARG 58 H ARG 58 10.077 9.676 -0.672 380 HA ARG 58 HA ARG 58 9.339 10.455 1.991 381 1HB ARG 58 1HB ARG 58 10.757 12.269 0.408 382 2HB ARG 58 2HB ARG 58 9.094 12.713 0.074 383 1HG ARG 58 1HG ARG 58 8.809 13.619 2.146 384 2HG ARG 58 2HG ARG 58 9.504 12.222 2.942 385 1HD ARG 58 1HD ARG 58 11.481 13.301 3.256 386 2HD ARG 58 2HD ARG 58 11.611 13.669 1.548 387 HE ARG 58 HE ARG 58 10.711 15.475 3.631 388 1HH1 ARG 58 1HH1 ARG 58 10.269 14.705 0.201 389 2HH1 ARG 58 2HH1 ARG 58 9.760 16.306 -0.220 390 1HH2 ARG 58 1HH2 ARG 58 9.632 17.984 1.486 391 H GLN 59 H GLN 59 7.159 10.027 2.176 392 HA GLN 59 HA GLN 59 5.605 8.972 0.340 393 1HB GLN 59 1HB GLN 59 5.186 9.735 2.872 394 2HB GLN 59 2HB GLN 59 4.302 11.040 2.106 395 1HG GLN 59 1HG GLN 59 2.806 9.506 0.985 396 2HG GLN 59 2HG GLN 59 3.820 8.127 1.359 397 1HE2 GLN 59 1HE2 GLN 59 2.072 10.791 2.938 398 2HE2 GLN 59 2HE2 GLN 59 1.496 9.900 4.308 399 H CYS 60 H CYS 60 4.283 9.557 -1.409 400 HA CYS 60 HA CYS 60 4.920 12.077 -2.592 401 1HB CYS 60 1HB CYS 60 4.260 9.588 -3.560 402 2HB CYS 60 2HB CYS 60 2.783 10.492 -3.832 Start of MODEL 19 1 1H ASP 1 1H ASP 1 -23.147 -12.075 -3.973 2 HA ASP 1 HA ASP 1 -23.609 -10.015 -2.777 3 1HB ASP 1 1HB ASP 1 -20.727 -10.540 -2.155 4 2HB ASP 1 2HB ASP 1 -22.104 -10.490 -1.072 5 H ARG 2 H ARG 2 -22.074 -8.075 -1.827 6 HA ARG 2 HA ARG 2 -20.918 -6.844 -4.195 7 1HB ARG 2 1HB ARG 2 -21.632 -5.214 -1.760 8 2HB ARG 2 2HB ARG 2 -21.714 -4.764 -3.452 9 1HG ARG 2 1HG ARG 2 -23.679 -6.282 -3.763 10 2HG ARG 2 2HG ARG 2 -23.597 -6.737 -2.072 11 1HD ARG 2 1HD ARG 2 -25.058 -5.010 -1.731 12 2HD ARG 2 2HD ARG 2 -23.648 -3.978 -1.866 13 HE ARG 2 HE ARG 2 -24.454 -4.391 -4.509 14 1HH1 ARG 2 1HH1 ARG 2 -25.995 -3.098 -1.592 15 2HH1 ARG 2 2HH1 ARG 2 -27.049 -2.040 -2.468 16 1HH2 ARG 2 1HH2 ARG 2 -26.944 -1.995 -4.861 17 H CYS 3 H CYS 3 -18.974 -5.423 -3.827 18 HA CYS 3 HA CYS 3 -17.632 -5.201 -1.461 19 1HB CYS 3 1HB CYS 3 -17.029 -7.311 -1.012 20 2HB CYS 3 2HB CYS 3 -17.309 -7.862 -2.653 21 H ARG 4 H ARG 4 -15.544 -4.129 -1.831 22 HA ARG 4 HA ARG 4 -15.327 -3.277 -4.593 23 1HB ARG 4 1HB ARG 4 -15.433 -1.799 -2.242 24 2HB ARG 4 2HB ARG 4 -13.705 -1.870 -2.524 25 1HG ARG 4 1HG ARG 4 -14.272 -1.168 -4.982 26 2HG ARG 4 2HG ARG 4 -15.853 -0.743 -4.358 27 1HD ARG 4 1HD ARG 4 -14.520 1.270 -4.268 28 2HD ARG 4 2HD ARG 4 -14.690 0.718 -2.614 29 HE ARG 4 HE ARG 4 -12.293 -0.272 -4.030 30 1HH1 ARG 4 1HH1 ARG 4 -13.637 2.174 -1.846 31 2HH1 ARG 4 2HH1 ARG 4 -12.093 2.622 -1.199 32 1HH2 ARG 4 1HH2 ARG 4 -10.120 1.519 -1.995 33 H TYR 5 H TYR 5 -14.045 -5.017 -5.438 34 HA TYR 5 HA TYR 5 -11.909 -6.224 -4.219 35 1HB TYR 5 1HB TYR 5 -12.903 -5.570 -7.001 36 2HB TYR 5 2HB TYR 5 -11.236 -6.103 -6.916 37 HD1 TYR 5 1HD TYR 5 -10.693 -8.384 -6.045 38 HD2 TYR 5 2HD TYR 5 -14.726 -7.109 -6.689 39 HE1 TYR 5 1HE TYR 5 -11.476 -10.803 -5.984 40 HE2 TYR 5 2HE TYR 5 -15.495 -9.531 -6.627 41 HH TYR 5 HH TYR 5 -13.441 -12.046 -5.554 42 H THR 6 H THR 6 -10.097 -5.358 -3.344 43 HA THR 6 HA THR 6 -8.793 -3.202 -4.867 44 HB THR 6 HB THR 6 -8.706 -3.350 -1.838 45 HG1 THR 6 1HG THR 6 -10.826 -2.678 -1.831 46 1HG2 THR 6 1HG2 THR 6 -9.061 -0.736 -2.533 47 2HG2 THR 6 2HG2 THR 6 -7.449 -1.485 -2.443 48 3HG2 THR 6 3HG2 THR 6 -8.268 -1.323 -4.014 49 H LEU 7 H LEU 7 -6.427 -2.996 -4.358 50 HA LEU 7 HA LEU 7 -5.340 -5.693 -4.267 51 1HB LEU 7 1HB LEU 7 -4.333 -3.035 -5.242 52 2HB LEU 7 2HB LEU 7 -3.234 -4.372 -4.967 53 HG LEU 7 HG LEU 7 -5.323 -5.445 -6.520 54 1HD1 LEU 7 1HD1 LEU 7 -5.584 -4.017 -8.404 55 2HD1 LEU 7 2HD1 LEU 7 -5.960 -3.049 -6.959 56 3HD1 LEU 7 3HD1 LEU 7 -4.391 -2.856 -7.776 57 1HD2 LEU 7 1HD2 LEU 7 -2.436 -4.862 -6.792 58 2HD2 LEU 7 2HD2 LEU 7 -3.343 -6.369 -7.064 59 3HD2 LEU 7 3HD2 LEU 7 -3.328 -5.103 -8.314 60 H CYS 8 H CYS 8 -4.863 -6.462 -2.279 61 HA CYS 8 HA CYS 8 -3.881 -4.524 -0.324 62 1HB CYS 8 1HB CYS 8 -4.897 -7.318 0.209 63 2HB CYS 8 2HB CYS 8 -4.537 -6.072 1.388 64 H CYS 9 H CYS 9 -2.044 -5.315 1.089 65 HA CYS 9 HA CYS 9 -0.136 -6.703 -0.580 66 1HB CYS 9 1HB CYS 9 0.167 -5.247 2.054 67 2HB CYS 9 2HB CYS 9 1.481 -6.038 1.205 68 H ASP 10 H ASP 10 1.147 -8.536 0.333 69 HA ASP 10 HA ASP 10 -0.595 -10.232 1.854 70 1HB ASP 10 1HB ASP 10 0.410 -11.401 0.074 71 2HB ASP 10 2HB ASP 10 1.940 -10.565 0.250 72 H GLY 11 H GLY 11 2.034 -8.033 2.334 73 1HA GLY 11 1HA GLY 11 2.929 -7.388 4.344 74 2HA GLY 11 2HA GLY 11 2.293 -8.828 5.114 75 H ALA 12 H ALA 12 3.407 -10.581 2.855 76 HA ALA 12 HA ALA 12 6.260 -10.233 3.136 77 1HB ALA 12 1HB ALA 12 6.233 -11.474 5.060 78 2HB ALA 12 2HB ALA 12 4.667 -12.230 4.679 79 3HB ALA 12 3HB ALA 12 6.156 -12.825 3.905 80 H LEU 13 H LEU 13 5.222 -9.828 0.802 81 HA LEU 13 HA LEU 13 6.170 -11.846 -0.827 82 1HB LEU 13 1HB LEU 13 4.417 -13.276 -0.211 83 2HB LEU 13 2HB LEU 13 3.219 -11.999 -0.278 84 HG LEU 13 HG LEU 13 4.183 -12.075 -2.878 85 1HD1 LEU 13 1HD1 LEU 13 5.411 -14.044 -2.773 86 2HD1 LEU 13 2HD1 LEU 13 4.249 -14.836 -1.682 87 3HD1 LEU 13 3HD1 LEU 13 3.833 -14.586 -3.394 88 1HD2 LEU 13 1HD2 LEU 13 1.810 -13.731 -2.084 89 2HD2 LEU 13 2HD2 LEU 13 1.800 -11.973 -1.803 90 3HD2 LEU 13 3HD2 LEU 13 2.016 -12.610 -3.452 91 H LYS 14 H LYS 14 3.062 -10.498 -1.787 92 HA LYS 14 HA LYS 14 4.266 -8.064 -2.765 93 1HB LYS 14 1HB LYS 14 3.348 -10.262 -4.632 94 2HB LYS 14 2HB LYS 14 3.488 -8.588 -5.127 95 1HG LYS 14 1HG LYS 14 5.756 -10.259 -3.943 96 2HG LYS 14 2HG LYS 14 5.550 -9.911 -5.649 97 1HD LYS 14 1HD LYS 14 6.123 -7.915 -3.417 98 2HD LYS 14 2HD LYS 14 7.168 -8.329 -4.761 99 1HE LYS 14 1HE LYS 14 4.863 -7.525 -6.084 100 2HE LYS 14 2HE LYS 14 4.839 -6.479 -4.678 101 1HZ LYS 14 1HZ LYS 14 7.145 -6.769 -6.531 102 2HZ LYS 14 2HZ LYS 14 6.136 -5.493 -6.479 103 H ALA 15 H ALA 15 2.324 -7.071 -4.358 104 HA ALA 15 HA ALA 15 0.051 -7.035 -2.530 105 1HB ALA 15 1HB ALA 15 -0.003 -5.164 -4.778 106 2HB ALA 15 2HB ALA 15 -0.038 -4.839 -3.028 107 3HB ALA 15 3HB ALA 15 1.519 -5.058 -3.862 108 H VAL 16 H VAL 16 -1.679 -8.296 -2.974 109 HA VAL 16 HA VAL 16 -2.160 -8.916 -5.807 110 HB VAL 16 HB VAL 16 -1.373 -10.785 -4.294 111 1HG1 VAL 16 1HG1 VAL 16 -4.144 -11.032 -3.219 112 2HG1 VAL 16 2HG1 VAL 16 -2.589 -11.547 -2.521 113 3HG1 VAL 16 3HG1 VAL 16 -3.074 -9.836 -2.450 114 1HG2 VAL 16 1HG2 VAL 16 -2.575 -12.341 -5.495 115 2HG2 VAL 16 2HG2 VAL 16 -4.112 -11.461 -5.313 116 3HG2 VAL 16 3HG2 VAL 16 -2.884 -10.878 -6.462 117 H SER 17 H SER 17 -4.630 -9.644 -6.042 118 HA SER 17 HA SER 17 -6.080 -7.365 -5.071 119 1HB SER 17 1HB SER 17 -7.912 -8.376 -6.582 120 2HB SER 17 2HB SER 17 -6.460 -7.794 -7.371 121 HG SER 17 HG SER 17 -6.534 -9.766 -8.259 122 H ALA 18 H ALA 18 -8.145 -7.542 -3.918 123 HA ALA 18 HA ALA 18 -8.837 -10.151 -2.872 124 1HB ALA 18 1HB ALA 18 -7.001 -8.826 -1.431 125 2HB ALA 18 2HB ALA 18 -8.457 -8.008 -0.815 126 3HB ALA 18 3HB ALA 18 -8.298 -9.774 -0.667 127 H CYS 19 H CYS 19 -10.960 -10.074 -1.727 128 HA CYS 19 HA CYS 19 -12.517 -7.815 -2.750 129 1HB CYS 19 1HB CYS 19 -12.938 -10.254 -3.531 130 2HB CYS 19 2HB CYS 19 -13.686 -10.471 -1.962 131 H LEU 20 H LEU 20 -12.246 -6.410 -0.940 132 HA LEU 20 HA LEU 20 -13.345 -7.474 1.569 133 1HB LEU 20 1HB LEU 20 -10.814 -6.224 1.016 134 2HB LEU 20 2HB LEU 20 -11.742 -5.216 2.109 135 HG LEU 20 HG LEU 20 -12.112 -7.442 3.441 136 1HD1 LEU 20 1HD1 LEU 20 -11.012 -8.759 1.525 137 2HD1 LEU 20 2HD1 LEU 20 -9.470 -8.166 2.189 138 3HD1 LEU 20 3HD1 LEU 20 -10.551 -9.157 3.198 139 1HD2 LEU 20 1HD2 LEU 20 -10.116 -6.990 4.765 140 2HD2 LEU 20 2HD2 LEU 20 -9.429 -6.032 3.432 141 3HD2 LEU 20 3HD2 LEU 20 -10.901 -5.473 4.262 142 H HIS 21 H HIS 21 -14.501 -5.840 2.906 143 HA HIS 21 HA HIS 21 -15.941 -4.046 1.119 144 1HB HIS 21 1HB HIS 21 -16.714 -4.808 3.938 145 2HB HIS 21 2HB HIS 21 -17.726 -4.114 2.688 146 HD1 HIS 21 1HD HIS 21 -17.704 -5.856 0.369 147 HD2 HIS 21 2HD HIS 21 -17.227 -7.462 4.214 148 HE1 HIS 21 1HE HIS 21 -18.326 -8.325 0.195 149 H GLU 22 H GLU 22 -16.799 -1.975 2.428 150 HA GLU 22 HA GLU 22 -14.492 -0.491 2.942 151 1HB GLU 22 1HB GLU 22 -17.452 -0.014 3.015 152 2HB GLU 22 2HB GLU 22 -16.453 1.126 3.896 153 1HG GLU 22 1HG GLU 22 -15.002 1.241 1.721 154 2HG GLU 22 2HG GLU 22 -16.357 0.460 0.930 155 H SER 23 H SER 23 -16.762 -2.299 4.989 156 HA SER 23 HA SER 23 -15.879 -1.039 7.377 157 1HB SER 23 1HB SER 23 -17.976 -2.851 6.572 158 2HB SER 23 2HB SER 23 -17.116 -3.580 7.913 159 HG SER 23 HG SER 23 -18.488 -1.050 7.820 160 H GLU 24 H GLU 24 -14.270 -2.967 5.258 161 HA GLU 24 HA GLU 24 -12.825 -4.280 7.424 162 1HB GLU 24 1HB GLU 24 -14.264 -5.719 5.686 163 2HB GLU 24 2HB GLU 24 -12.861 -5.487 4.662 164 1HG GLU 24 1HG GLU 24 -11.406 -6.361 6.553 165 2HG GLU 24 2HG GLU 24 -12.863 -6.706 7.462 166 H SER 25 H SER 25 -10.504 -4.367 7.195 167 HA SER 25 HA SER 25 -9.500 -2.785 4.968 168 1HB SER 25 1HB SER 25 -9.637 -1.834 7.580 169 2HB SER 25 2HB SER 25 -8.002 -2.459 7.502 170 HG SER 25 HG SER 25 -9.030 -0.770 5.408 171 H CYS 26 H CYS 26 -7.336 -3.370 4.271 172 HA CYS 26 HA CYS 26 -6.323 -5.805 5.541 173 1HB CYS 26 1HB CYS 26 -5.531 -6.304 3.082 174 2HB CYS 26 2HB CYS 26 -7.105 -6.803 3.668 175 H LEU 27 H LEU 27 -3.910 -6.128 4.446 176 HA LEU 27 HA LEU 27 -2.433 -3.927 5.382 177 1HB LEU 27 1HB LEU 27 -1.910 -6.500 5.136 178 2HB LEU 27 2HB LEU 27 -1.255 -6.004 3.588 179 HG LEU 27 HG LEU 27 0.193 -4.345 4.816 180 1HD1 LEU 27 1HD1 LEU 27 0.088 -4.023 7.019 181 2HD1 LEU 27 2HD1 LEU 27 -1.458 -4.905 6.966 182 3HD1 LEU 27 3HD1 LEU 27 0.047 -5.770 7.359 183 1HD2 LEU 27 1HD2 LEU 27 1.661 -6.254 5.837 184 2HD2 LEU 27 2HD2 LEU 27 0.445 -7.321 5.095 185 3HD2 LEU 27 3HD2 LEU 27 1.369 -6.185 4.082 186 H VAL 28 H VAL 28 -3.539 -2.195 4.123 187 HA VAL 28 HA VAL 28 -3.290 -2.102 1.322 188 HB VAL 28 HB VAL 28 -4.847 -0.840 2.935 189 1HG1 VAL 28 1HG1 VAL 28 -4.107 0.888 4.164 190 2HG1 VAL 28 2HG1 VAL 28 -2.485 0.203 3.903 191 3HG1 VAL 28 3HG1 VAL 28 -3.080 1.507 2.848 192 1HG2 VAL 28 1HG2 VAL 28 -4.578 -0.557 0.403 193 2HG2 VAL 28 2HG2 VAL 28 -5.294 0.804 1.299 194 3HG2 VAL 28 3HG2 VAL 28 -3.593 0.876 0.782 195 HA PRO 29 HA PRO 29 0.860 -0.925 0.969 196 1HB PRO 29 1HB PRO 29 0.877 -0.029 -1.612 197 2HB PRO 29 2HB PRO 29 0.970 -1.725 -1.187 198 1HG PRO 29 1HG PRO 29 -1.326 -0.208 -2.269 199 2HG PRO 29 2HG PRO 29 -1.072 -1.943 -2.239 200 1HD PRO 29 1HD PRO 29 -2.795 -0.429 -0.515 201 2HD PRO 29 2HD PRO 29 -2.453 -2.144 -0.412 202 H GLY 30 H GLY 30 2.152 1.063 -0.315 203 1HA GLY 30 1HA GLY 30 0.800 3.536 0.463 204 2HA GLY 30 2HA GLY 30 2.282 3.130 1.306 205 H ASP 31 H ASP 31 1.896 5.450 -0.406 206 HA ASP 31 HA ASP 31 3.505 4.709 -2.711 207 1HB ASP 31 1HB ASP 31 1.893 7.226 -2.081 208 2HB ASP 31 2HB ASP 31 2.877 7.040 -3.519 209 H CYS 32 H CYS 32 5.681 5.330 -2.693 210 HA CYS 32 HA CYS 32 6.486 7.144 -0.553 211 1HB CYS 32 1HB CYS 32 7.868 4.936 -2.036 212 2HB CYS 32 2HB CYS 32 8.822 6.219 -1.318 213 H CYS 33 H CYS 33 7.023 9.226 -1.124 214 HA CYS 33 HA CYS 33 7.327 9.770 -3.962 215 1HB CYS 33 1HB CYS 33 6.253 11.207 -1.673 216 2HB CYS 33 2HB CYS 33 7.402 12.186 -2.566 217 H ARG 34 H ARG 34 9.308 10.396 -4.835 218 HA ARG 34 HA ARG 34 11.402 10.971 -2.905 219 1HB ARG 34 1HB ARG 34 11.592 8.609 -3.808 220 2HB ARG 34 2HB ARG 34 11.736 9.267 -5.425 221 1HG ARG 34 1HG ARG 34 13.823 10.384 -4.887 222 2HG ARG 34 2HG ARG 34 13.622 10.079 -3.173 223 1HD ARG 34 1HD ARG 34 13.536 7.595 -4.777 224 2HD ARG 34 2HD ARG 34 15.046 8.465 -4.971 225 HE ARG 34 HE ARG 34 14.103 8.133 -2.184 226 1HH1 ARG 34 1HH1 ARG 34 16.225 6.951 -4.764 227 2HH1 ARG 34 2HH1 ARG 34 17.262 6.083 -3.683 228 1HH2 ARG 34 1HH2 ARG 34 16.801 6.118 -1.331 229 H GLY 35 H GLY 35 11.242 13.243 -3.362 230 1HA GLY 35 1HA GLY 35 11.843 15.129 -4.435 231 2HA GLY 35 2HA GLY 35 12.715 14.154 -5.602 232 H LYS 36 H LYS 36 11.521 13.198 -7.448 233 HA LYS 36 HA LYS 36 8.909 14.421 -7.906 234 1HB LYS 36 1HB LYS 36 10.951 14.458 -10.111 235 2HB LYS 36 2HB LYS 36 9.484 15.400 -9.940 236 1HG LYS 36 1HG LYS 36 10.687 16.359 -7.768 237 2HG LYS 36 2HG LYS 36 12.145 15.773 -8.544 238 1HD LYS 36 1HD LYS 36 10.201 17.445 -10.154 239 2HD LYS 36 2HD LYS 36 11.262 18.244 -9.010 240 1HE LYS 36 1HE LYS 36 13.253 17.314 -10.114 241 2HE LYS 36 2HE LYS 36 12.260 16.328 -11.171 242 1HZ LYS 36 1HZ LYS 36 12.613 19.251 -11.229 243 2HZ LYS 36 2HZ LYS 36 12.702 18.194 -12.465 244 H SER 37 H SER 37 10.079 11.697 -7.165 245 HA SER 37 HA SER 37 8.885 10.313 -9.434 246 1HB SER 37 1HB SER 37 11.507 9.839 -8.069 247 2HB SER 37 2HB SER 37 10.577 8.407 -8.462 248 HG SER 37 HG SER 37 10.411 9.329 -10.700 249 H ARG 38 H ARG 38 7.057 9.238 -8.792 250 HA ARG 38 HA ARG 38 6.781 8.745 -5.960 251 1HB ARG 38 1HB ARG 38 4.346 8.162 -6.739 252 2HB ARG 38 2HB ARG 38 4.847 9.841 -6.787 253 1HG ARG 38 1HG ARG 38 5.084 9.851 -9.140 254 2HG ARG 38 2HG ARG 38 5.291 8.112 -9.231 255 1HD ARG 38 1HD ARG 38 2.667 9.371 -8.319 256 2HD ARG 38 2HD ARG 38 3.008 9.072 -10.012 257 HE ARG 38 HE ARG 38 3.465 6.723 -8.324 258 1HH1 ARG 38 1HH1 ARG 38 1.026 8.527 -10.155 259 2HH1 ARG 38 2HH1 ARG 38 -0.017 7.158 -10.353 260 1HH2 ARG 38 1HH2 ARG 38 0.628 5.046 -9.421 261 H LEU 39 H LEU 39 6.154 6.620 -5.139 262 HA LEU 39 HA LEU 39 6.297 4.437 -7.064 263 1HB LEU 39 1HB LEU 39 8.486 5.183 -5.494 264 2HB LEU 39 2HB LEU 39 7.788 3.810 -4.658 265 HG LEU 39 HG LEU 39 7.821 2.657 -6.994 266 1HD1 LEU 39 1HD1 LEU 39 10.057 4.623 -7.490 267 2HD1 LEU 39 2HD1 LEU 39 9.358 3.421 -8.602 268 3HD1 LEU 39 3HD1 LEU 39 8.414 4.857 -8.136 269 1HD2 LEU 39 1HD2 LEU 39 9.805 2.939 -4.891 270 2HD2 LEU 39 2HD2 LEU 39 9.281 1.493 -5.787 271 3HD2 LEU 39 3HD2 LEU 39 10.552 2.543 -6.458 272 H THR 40 H THR 40 5.479 2.367 -6.108 273 HA THR 40 HA THR 40 3.845 2.782 -3.717 274 HB THR 40 HB THR 40 2.881 1.989 -6.506 275 HG1 THR 40 1HG THR 40 1.695 3.906 -6.136 276 1HG2 THR 40 1HG2 THR 40 1.149 2.046 -4.008 277 2HG2 THR 40 2HG2 THR 40 0.791 1.315 -5.590 278 3HG2 THR 40 3HG2 THR 40 1.959 0.538 -4.495 279 H LEU 41 H LEU 41 4.443 1.281 -2.296 280 HA LEU 41 HA LEU 41 4.573 -1.458 -3.202 281 1HB LEU 41 1HB LEU 41 6.933 -0.644 -1.615 282 2HB LEU 41 2HB LEU 41 6.757 -1.895 -2.829 283 HG LEU 41 HG LEU 41 6.727 1.001 -3.642 284 1HD1 LEU 41 1HD1 LEU 41 9.276 -0.605 -3.410 285 2HD1 LEU 41 2HD1 LEU 41 9.081 1.123 -3.791 286 3HD1 LEU 41 3HD1 LEU 41 8.723 0.527 -2.152 287 1HD2 LEU 41 1HD2 LEU 41 6.410 -1.379 -5.028 288 2HD2 LEU 41 2HD2 LEU 41 6.789 0.216 -5.724 289 3HD2 LEU 41 3HD2 LEU 41 8.103 -0.924 -5.344 290 H CYS 42 H CYS 42 5.513 -2.675 -0.916 291 HA CYS 42 HA CYS 42 3.589 -1.687 1.057 292 1HB CYS 42 1HB CYS 42 4.657 -4.502 0.883 293 2HB CYS 42 2HB CYS 42 3.294 -3.917 1.816 294 H SER 43 H SER 43 4.488 -0.843 2.909 295 HA SER 43 HA SER 43 6.812 -2.037 4.008 296 1HB SER 43 1HB SER 43 7.705 -0.439 2.215 297 2HB SER 43 2HB SER 43 7.040 0.879 3.157 298 HG SER 43 HG SER 43 9.317 -0.702 3.631 299 H TYR 44 H TYR 44 6.266 -2.102 6.155 300 HA TYR 44 HA TYR 44 4.746 0.189 7.207 301 1HB TYR 44 1HB TYR 44 4.855 -2.830 7.785 302 2HB TYR 44 2HB TYR 44 4.089 -1.724 8.908 303 HD1 TYR 44 1HD TYR 44 3.957 -2.866 5.351 304 HD2 TYR 44 2HD TYR 44 1.836 -1.112 8.626 305 HE1 TYR 44 1HE TYR 44 1.785 -3.030 4.040 306 HE2 TYR 44 2HE TYR 44 -0.330 -1.280 7.305 307 HH TYR 44 HH TYR 44 -0.325 -2.163 3.943 308 H GLY 45 H GLY 45 4.965 0.051 9.830 309 1HA GLY 45 1HA GLY 45 7.805 -0.378 10.490 310 2HA GLY 45 2HA GLY 45 7.064 1.184 10.776 311 H GLU 46 H GLU 46 7.286 1.079 13.069 312 HA GLU 46 HA GLU 46 6.223 -1.176 14.439 313 1HB GLU 46 1HB GLU 46 7.929 1.073 15.044 314 2HB GLU 46 2HB GLU 46 6.626 1.048 16.215 315 1HG GLU 46 1HG GLU 46 8.669 -0.341 16.849 316 2HG GLU 46 2HG GLU 46 7.143 -1.201 16.910 317 H GLY 47 H GLY 47 4.612 0.959 12.680 318 1HA GLY 47 1HA GLY 47 2.374 1.402 12.678 319 2HA GLY 47 2HA GLY 47 2.241 0.819 14.325 320 H GLY 48 H GLY 48 4.014 3.491 12.595 321 1HA GLY 48 1HA GLY 48 3.155 5.300 14.772 322 2HA GLY 48 2HA GLY 48 4.657 5.440 13.878 323 H ASN 49 H ASN 49 4.397 5.659 11.378 324 HA ASN 49 HA ASN 49 2.223 7.545 10.974 325 1HB ASN 49 1HB ASN 49 4.960 7.785 10.482 326 2HB ASN 49 2HB ASN 49 4.352 7.352 8.897 327 1HD2 ASN 49 1HD2 ASN 49 4.152 9.632 11.551 328 2HD2 ASN 49 2HD2 ASN 49 3.449 10.957 10.683 329 H GLY 50 H GLY 50 1.760 4.665 10.866 330 1HA GLY 50 1HA GLY 50 0.727 3.151 9.564 331 2HA GLY 50 2HA GLY 50 0.483 4.414 8.372 332 H PHE 51 H PHE 51 2.407 4.985 6.935 333 HA PHE 51 HA PHE 51 3.593 2.511 6.052 334 1HB PHE 51 1HB PHE 51 2.553 4.755 4.835 335 2HB PHE 51 2HB PHE 51 4.234 5.241 4.907 336 HD1 PHE 51 1HD PHE 51 2.820 1.848 4.313 337 HD2 PHE 51 2HD PHE 51 4.952 5.142 2.695 338 HE1 PHE 51 1HE PHE 51 3.292 0.523 2.234 339 HE2 PHE 51 2HE PHE 51 5.424 3.817 0.616 340 HZ PHE 51 HZ PHE 51 4.588 1.523 0.411 341 H GLN 52 H GLN 52 5.952 2.438 5.438 342 HA GLN 52 HA GLN 52 7.535 4.154 7.172 343 1HB GLN 52 1HB GLN 52 7.074 1.771 8.118 344 2HB GLN 52 2HB GLN 52 8.149 1.196 6.859 345 1HG GLN 52 1HG GLN 52 8.882 3.298 8.953 346 2HG GLN 52 2HG GLN 52 9.340 1.608 9.028 347 1HE2 GLN 52 1HE2 GLN 52 10.589 0.726 7.229 348 2HE2 GLN 52 2HE2 GLN 52 11.757 1.720 6.426 349 H CYS 53 H CYS 53 7.602 5.175 4.876 350 HA CYS 53 HA CYS 53 8.745 3.976 2.723 351 1HB CYS 53 1HB CYS 53 8.669 6.792 3.720 352 2HB CYS 53 2HB CYS 53 9.707 6.416 2.361 353 HA PRO 54 HA PRO 54 12.900 3.362 3.880 354 1HB PRO 54 1HB PRO 54 14.157 3.335 1.454 355 2HB PRO 54 2HB PRO 54 13.278 1.960 2.093 356 1HG PRO 54 1HG PRO 54 12.476 3.843 -0.040 357 2HG PRO 54 2HG PRO 54 11.835 2.251 0.318 358 1HD PRO 54 1HD PRO 54 10.617 4.771 0.945 359 2HD PRO 54 2HD PRO 54 10.036 3.183 1.404 360 H THR 55 H THR 55 15.195 4.179 3.807 361 HA THR 55 HA THR 55 15.085 6.939 4.359 362 HB THR 55 HB THR 55 17.324 4.900 3.940 363 HG1 THR 55 1HG THR 55 15.714 4.940 5.807 364 1HG2 THR 55 1HG2 THR 55 17.528 7.713 5.135 365 2HG2 THR 55 2HG2 THR 55 18.843 6.523 4.978 366 3HG2 THR 55 3HG2 THR 55 18.149 7.280 3.524 367 H GLY 56 H GLY 56 15.196 8.702 3.116 368 1HA GLY 56 1HA GLY 56 16.180 9.918 1.356 369 2HA GLY 56 2HA GLY 56 16.423 8.435 0.455 370 H TYR 57 H TYR 57 13.428 7.952 1.753 371 HA TYR 57 HA TYR 57 12.112 9.225 -0.550 372 1HB TYR 57 1HB TYR 57 11.824 6.612 1.024 373 2HB TYR 57 2HB TYR 57 10.454 7.215 0.111 374 HD1 TYR 57 1HD TYR 57 13.797 5.717 -0.103 375 HD2 TYR 57 2HD TYR 57 10.493 7.253 -2.347 376 HE1 TYR 57 1HE TYR 57 14.704 4.615 -2.207 377 HE2 TYR 57 2HE TYR 57 11.411 6.145 -4.443 378 HH TYR 57 HH TYR 57 13.323 5.283 -5.330 379 H ARG 58 H ARG 58 9.559 9.290 -0.052 380 HA ARG 58 HA ARG 58 9.131 10.025 2.695 381 1HB ARG 58 1HB ARG 58 8.221 12.243 2.144 382 2HB ARG 58 2HB ARG 58 9.867 12.137 1.551 383 1HG ARG 58 1HG ARG 58 9.218 12.346 -0.629 384 2HG ARG 58 2HG ARG 58 7.921 11.182 -0.446 385 1HD ARG 58 1HD ARG 58 6.967 13.382 -0.987 386 2HD ARG 58 2HD ARG 58 6.498 12.934 0.640 387 HE ARG 58 HE ARG 58 8.977 14.477 0.586 388 1HH1 ARG 58 1HH1 ARG 58 5.444 14.738 0.574 389 2HH1 ARG 58 2HH1 ARG 58 5.436 16.344 1.224 390 1HH2 ARG 58 1HH2 ARG 58 7.521 17.416 1.727 391 H GLN 59 H GLN 59 6.572 11.069 2.572 392 HA GLN 59 HA GLN 59 5.143 8.815 1.482 393 1HB GLN 59 1HB GLN 59 4.892 10.415 3.816 394 2HB GLN 59 2HB GLN 59 3.476 10.781 2.850 395 1HG GLN 59 1HG GLN 59 2.895 8.399 2.689 396 2HG GLN 59 2HG GLN 59 4.394 7.936 3.469 397 1HE2 GLN 59 1HE2 GLN 59 4.787 9.021 5.637 398 2HE2 GLN 59 2HE2 GLN 59 3.457 9.080 6.746 399 H CYS 60 H CYS 60 3.982 8.903 -0.398 400 HA CYS 60 HA CYS 60 3.942 11.382 -1.820 401 1HB CYS 60 1HB CYS 60 3.811 8.620 -2.464 402 2HB CYS 60 2HB CYS 60 2.342 9.358 -3.071 Start of MODEL 20 1 1H ASP 1 1H ASP 1 -23.785 -8.520 -0.946 2 HA ASP 1 HA ASP 1 -22.547 -9.982 -2.387 3 1HB ASP 1 1HB ASP 1 -24.703 -8.295 -3.125 4 2HB ASP 1 2HB ASP 1 -23.605 -8.226 -4.488 5 H ARG 2 H ARG 2 -22.342 -6.461 -3.321 6 HA ARG 2 HA ARG 2 -20.112 -6.999 -5.000 7 1HB ARG 2 1HB ARG 2 -20.855 -4.193 -4.167 8 2HB ARG 2 2HB ARG 2 -20.363 -4.779 -5.743 9 1HG ARG 2 1HG ARG 2 -22.691 -6.184 -5.452 10 2HG ARG 2 2HG ARG 2 -23.080 -4.781 -4.475 11 1HD ARG 2 1HD ARG 2 -21.825 -4.292 -7.174 12 2HD ARG 2 2HD ARG 2 -23.496 -4.820 -7.142 13 HE ARG 2 HE ARG 2 -22.947 -2.628 -5.276 14 1HH1 ARG 2 1HH1 ARG 2 -23.831 -3.430 -8.613 15 2HH1 ARG 2 2HH1 ARG 2 -24.565 -1.891 -8.918 16 1HH2 ARG 2 1HH2 ARG 2 -24.603 -0.242 -7.180 17 H CYS 3 H CYS 3 -17.971 -5.860 -4.721 18 HA CYS 3 HA CYS 3 -17.428 -5.010 -2.001 19 1HB CYS 3 1HB CYS 3 -16.086 -6.678 -1.392 20 2HB CYS 3 2HB CYS 3 -16.936 -7.605 -2.611 21 H ARG 4 H ARG 4 -15.181 -3.954 -1.923 22 HA ARG 4 HA ARG 4 -14.730 -2.706 -4.501 23 1HB ARG 4 1HB ARG 4 -14.795 -1.748 -1.746 24 2HB ARG 4 2HB ARG 4 -13.237 -1.370 -2.452 25 1HG ARG 4 1HG ARG 4 -14.164 -0.003 -4.129 26 2HG ARG 4 2HG ARG 4 -15.714 -0.820 -4.091 27 1HD ARG 4 1HD ARG 4 -14.693 0.851 -1.750 28 2HD ARG 4 2HD ARG 4 -15.642 1.541 -3.051 29 HE ARG 4 HE ARG 4 -16.637 -0.125 -0.894 30 1HH1 ARG 4 1HH1 ARG 4 -17.198 0.701 -4.294 31 2HH1 ARG 4 2HH1 ARG 4 -18.878 0.284 -4.246 32 1HH2 ARG 4 1HH2 ARG 4 -19.830 -0.525 -2.200 33 H TYR 5 H TYR 5 -13.453 -4.621 -5.236 34 HA TYR 5 HA TYR 5 -11.338 -5.765 -3.987 35 1HB TYR 5 1HB TYR 5 -10.484 -5.817 -6.513 36 2HB TYR 5 2HB TYR 5 -12.021 -6.574 -6.148 37 HD1 TYR 5 1HD TYR 5 -10.416 -3.591 -7.633 38 HD2 TYR 5 2HD TYR 5 -14.094 -5.680 -6.997 39 HE1 TYR 5 1HE TYR 5 -11.563 -2.107 -9.349 40 HE2 TYR 5 2HE TYR 5 -15.230 -4.189 -8.715 41 HH TYR 5 HH TYR 5 -14.472 -1.515 -9.558 42 H THR 6 H THR 6 -9.528 -4.969 -3.051 43 HA THR 6 HA THR 6 -8.200 -2.722 -4.402 44 HB THR 6 HB THR 6 -8.411 -2.964 -1.371 45 HG1 THR 6 1HG THR 6 -10.459 -2.112 -1.600 46 1HG2 THR 6 1HG2 THR 6 -6.788 -1.300 -2.322 47 2HG2 THR 6 2HG2 THR 6 -8.102 -0.598 -3.296 48 3HG2 THR 6 3HG2 THR 6 -8.155 -0.489 -1.521 49 H LEU 7 H LEU 7 -5.877 -2.470 -3.614 50 HA LEU 7 HA LEU 7 -4.759 -5.165 -3.514 51 1HB LEU 7 1HB LEU 7 -3.865 -2.526 -4.567 52 2HB LEU 7 2HB LEU 7 -2.635 -3.640 -4.000 53 HG LEU 7 HG LEU 7 -4.330 -5.180 -5.641 54 1HD1 LEU 7 1HD1 LEU 7 -4.820 -2.582 -6.360 55 2HD1 LEU 7 2HD1 LEU 7 -3.505 -3.036 -7.471 56 3HD1 LEU 7 3HD1 LEU 7 -5.000 -4.001 -7.421 57 1HD2 LEU 7 1HD2 LEU 7 -1.753 -4.021 -6.646 58 2HD2 LEU 7 2HD2 LEU 7 -1.750 -5.101 -5.231 59 3HD2 LEU 7 3HD2 LEU 7 -2.394 -5.675 -6.788 60 H CYS 8 H CYS 8 -4.287 -5.944 -1.534 61 HA CYS 8 HA CYS 8 -3.450 -3.979 0.470 62 1HB CYS 8 1HB CYS 8 -4.674 -6.712 0.903 63 2HB CYS 8 2HB CYS 8 -4.186 -5.591 2.159 64 H CYS 9 H CYS 9 -1.790 -4.917 2.080 65 HA CYS 9 HA CYS 9 0.125 -6.494 0.543 66 1HB CYS 9 1HB CYS 9 0.367 -4.377 2.626 67 2HB CYS 9 2HB CYS 9 1.595 -5.627 2.596 68 H ASP 10 H ASP 10 0.739 -8.535 1.285 69 HA ASP 10 HA ASP 10 -0.624 -9.397 3.701 70 1HB ASP 10 1HB ASP 10 -0.300 -10.550 1.121 71 2HB ASP 10 2HB ASP 10 0.721 -11.507 2.177 72 H GLY 11 H GLY 11 2.024 -7.833 3.388 73 1HA GLY 11 1HA GLY 11 4.185 -7.911 4.059 74 2HA GLY 11 2HA GLY 11 3.504 -8.751 5.438 75 H ALA 12 H ALA 12 3.301 -10.159 2.177 76 HA ALA 12 HA ALA 12 5.463 -12.010 2.905 77 1HB ALA 12 1HB ALA 12 4.108 -13.845 1.990 78 2HB ALA 12 2HB ALA 12 3.242 -13.037 3.319 79 3HB ALA 12 3HB ALA 12 2.786 -12.708 1.630 80 H LEU 13 H LEU 13 4.125 -13.141 0.114 81 HA LEU 13 HA LEU 13 6.152 -12.651 -1.541 82 1HB LEU 13 1HB LEU 13 4.232 -12.618 -3.360 83 2HB LEU 13 2HB LEU 13 4.689 -14.065 -2.483 84 HG LEU 13 HG LEU 13 2.585 -12.487 -1.156 85 1HD1 LEU 13 1HD1 LEU 13 1.007 -13.759 -2.991 86 2HD1 LEU 13 2HD1 LEU 13 1.406 -12.025 -3.004 87 3HD1 LEU 13 3HD1 LEU 13 2.340 -13.160 -4.007 88 1HD2 LEU 13 1HD2 LEU 13 1.600 -14.985 -1.460 89 2HD2 LEU 13 2HD2 LEU 13 3.343 -15.313 -1.603 90 3HD2 LEU 13 3HD2 LEU 13 2.705 -14.501 -0.153 91 H LYS 14 H LYS 14 3.157 -10.586 -1.617 92 HA LYS 14 HA LYS 14 4.452 -8.171 -1.414 93 1HB LYS 14 1HB LYS 14 5.287 -9.275 -3.762 94 2HB LYS 14 2HB LYS 14 3.880 -8.389 -4.312 95 1HG LYS 14 1HG LYS 14 5.901 -6.963 -4.409 96 2HG LYS 14 2HG LYS 14 4.739 -6.310 -3.272 97 1HD LYS 14 1HD LYS 14 6.353 -8.121 -1.770 98 2HD LYS 14 2HD LYS 14 7.465 -7.222 -2.783 99 1HE LYS 14 1HE LYS 14 5.365 -5.535 -1.525 100 2HE LYS 14 2HE LYS 14 6.422 -6.322 -0.370 101 1HZ LYS 14 1HZ LYS 14 7.065 -4.248 -2.290 102 2HZ LYS 14 2HZ LYS 14 7.766 -4.572 -0.856 103 H ALA 15 H ALA 15 2.954 -6.357 -2.562 104 HA ALA 15 HA ALA 15 0.451 -6.654 -1.406 105 1HB ALA 15 1HB ALA 15 1.960 -4.688 -2.890 106 2HB ALA 15 2HB ALA 15 0.288 -4.736 -3.501 107 3HB ALA 15 3HB ALA 15 0.596 -4.443 -1.773 108 H VAL 16 H VAL 16 -1.265 -7.879 -1.985 109 HA VAL 16 HA VAL 16 -1.550 -8.474 -4.849 110 HB VAL 16 HB VAL 16 -0.763 -10.351 -3.305 111 1HG1 VAL 16 1HG1 VAL 16 -2.127 -10.021 -1.376 112 2HG1 VAL 16 2HG1 VAL 16 -3.622 -10.041 -2.344 113 3HG1 VAL 16 3HG1 VAL 16 -2.675 -11.534 -2.137 114 1HG2 VAL 16 1HG2 VAL 16 -3.099 -11.590 -4.394 115 2HG2 VAL 16 2HG2 VAL 16 -2.580 -10.302 -5.507 116 3HG2 VAL 16 3HG2 VAL 16 -1.438 -11.583 -5.035 117 H SER 17 H SER 17 -3.798 -8.757 -5.583 118 HA SER 17 HA SER 17 -5.426 -6.776 -4.418 119 1HB SER 17 1HB SER 17 -5.461 -7.129 -6.827 120 2HB SER 17 2HB SER 17 -5.906 -8.813 -6.632 121 HG SER 17 HG SER 17 -7.601 -6.782 -5.524 122 H ALA 18 H ALA 18 -7.608 -7.088 -3.508 123 HA ALA 18 HA ALA 18 -8.319 -9.787 -2.743 124 1HB ALA 18 1HB ALA 18 -7.963 -9.599 -0.488 125 2HB ALA 18 2HB ALA 18 -6.678 -8.491 -1.027 126 3HB ALA 18 3HB ALA 18 -8.242 -7.841 -0.481 127 H CYS 19 H CYS 19 -10.554 -9.911 -1.979 128 HA CYS 19 HA CYS 19 -12.080 -7.652 -3.005 129 1HB CYS 19 1HB CYS 19 -12.387 -10.092 -3.787 130 2HB CYS 19 2HB CYS 19 -13.200 -10.344 -2.255 131 H LEU 20 H LEU 20 -11.812 -6.252 -1.143 132 HA LEU 20 HA LEU 20 -13.089 -7.289 1.291 133 1HB LEU 20 1HB LEU 20 -11.580 -6.229 2.570 134 2HB LEU 20 2HB LEU 20 -10.576 -6.483 1.157 135 HG LEU 20 HG LEU 20 -11.895 -3.998 0.774 136 1HD1 LEU 20 1HD1 LEU 20 -10.486 -3.979 3.439 137 2HD1 LEU 20 2HD1 LEU 20 -11.492 -2.717 2.691 138 3HD1 LEU 20 3HD1 LEU 20 -12.245 -4.208 3.305 139 1HD2 LEU 20 1HD2 LEU 20 -9.140 -3.763 1.651 140 2HD2 LEU 20 2HD2 LEU 20 -9.351 -5.113 0.511 141 3HD2 LEU 20 3HD2 LEU 20 -9.861 -3.471 0.050 142 H HIS 21 H HIS 21 -14.219 -5.488 2.594 143 HA HIS 21 HA HIS 21 -15.569 -3.724 0.680 144 1HB HIS 21 1HB HIS 21 -16.748 -5.089 3.118 145 2HB HIS 21 2HB HIS 21 -17.590 -3.964 2.071 146 HD1 HIS 21 1HD HIS 21 -16.204 -7.485 2.131 147 HD2 HIS 21 2HD HIS 21 -18.538 -5.031 -0.344 148 HE1 HIS 21 1HE HIS 21 -17.196 -9.011 0.342 149 H GLU 22 H GLU 22 -16.880 -1.971 2.225 150 HA GLU 22 HA GLU 22 -14.779 -0.431 3.262 151 1HB GLU 22 1HB GLU 22 -17.364 0.045 2.341 152 2HB GLU 22 2HB GLU 22 -17.512 0.374 4.056 153 1HG GLU 22 1HG GLU 22 -15.061 1.583 3.310 154 2HG GLU 22 2HG GLU 22 -16.147 1.935 1.980 155 H SER 23 H SER 23 -16.992 -2.802 4.617 156 HA SER 23 HA SER 23 -16.723 -1.848 7.280 157 1HB SER 23 1HB SER 23 -18.325 -3.780 5.867 158 2HB SER 23 2HB SER 23 -17.545 -4.610 7.198 159 HG SER 23 HG SER 23 -18.318 -2.538 8.448 160 H GLU 24 H GLU 24 -14.547 -3.222 5.182 161 HA GLU 24 HA GLU 24 -13.131 -4.459 7.403 162 1HB GLU 24 1HB GLU 24 -14.214 -6.077 5.616 163 2HB GLU 24 2HB GLU 24 -12.878 -5.574 4.600 164 1HG GLU 24 1HG GLU 24 -11.789 -6.164 7.197 165 2HG GLU 24 2HG GLU 24 -12.867 -7.481 6.779 166 H SER 25 H SER 25 -10.731 -4.446 7.129 167 HA SER 25 HA SER 25 -9.766 -2.750 5.024 168 1HB SER 25 1HB SER 25 -10.389 -1.616 7.529 169 2HB SER 25 2HB SER 25 -8.653 -1.846 7.585 170 HG SER 25 HG SER 25 -9.063 -0.860 5.168 171 H CYS 26 H CYS 26 -7.649 -3.318 4.447 172 HA CYS 26 HA CYS 26 -6.368 -5.254 6.237 173 1HB CYS 26 1HB CYS 26 -5.239 -5.794 3.840 174 2HB CYS 26 2HB CYS 26 -6.602 -6.657 4.524 175 H LEU 27 H LEU 27 -3.846 -5.292 5.713 176 HA LEU 27 HA LEU 27 -2.875 -2.722 6.272 177 1HB LEU 27 1HB LEU 27 -1.976 -5.166 6.728 178 2HB LEU 27 2HB LEU 27 -1.105 -4.888 5.233 179 HG LEU 27 HG LEU 27 -0.028 -2.910 6.185 180 1HD1 LEU 27 1HD1 LEU 27 -0.536 -3.097 8.940 181 2HD1 LEU 27 2HD1 LEU 27 -1.010 -1.790 7.829 182 3HD1 LEU 27 3HD1 LEU 27 -2.130 -3.135 8.150 183 1HD2 LEU 27 1HD2 LEU 27 0.822 -5.318 6.519 184 2HD2 LEU 27 2HD2 LEU 27 1.531 -4.023 7.514 185 3HD2 LEU 27 3HD2 LEU 27 0.308 -5.114 8.210 186 H VAL 28 H VAL 28 -3.594 -1.270 4.651 187 HA VAL 28 HA VAL 28 -3.138 -1.782 1.910 188 HB VAL 28 HB VAL 28 -3.739 0.727 3.483 189 1HG1 VAL 28 1HG1 VAL 28 -4.040 1.937 1.511 190 2HG1 VAL 28 2HG1 VAL 28 -2.560 1.006 1.183 191 3HG1 VAL 28 3HG1 VAL 28 -4.115 0.473 0.502 192 1HG2 VAL 28 1HG2 VAL 28 -6.001 0.367 2.290 193 2HG2 VAL 28 2HG2 VAL 28 -5.423 -1.290 1.995 194 3HG2 VAL 28 3HG2 VAL 28 -5.598 -0.691 3.662 195 HA PRO 29 HA PRO 29 1.031 -0.651 1.665 196 1HB PRO 29 1HB PRO 29 1.264 -0.253 -1.029 197 2HB PRO 29 2HB PRO 29 1.306 -1.840 -0.287 198 1HG PRO 29 1HG PRO 29 -0.880 -0.565 -1.816 199 2HG PRO 29 2HG PRO 29 -0.646 -2.261 -1.442 200 1HD PRO 29 1HD PRO 29 -2.487 -0.461 -0.177 201 2HD PRO 29 2HD PRO 29 -2.171 -2.125 0.274 202 H GLY 30 H GLY 30 2.416 1.071 0.084 203 1HA GLY 30 1HA GLY 30 1.037 3.639 0.328 204 2HA GLY 30 2HA GLY 30 2.477 3.401 1.299 205 H ASP 31 H ASP 31 2.018 5.298 -0.960 206 HA ASP 31 HA ASP 31 3.882 4.186 -2.894 207 1HB ASP 31 1HB ASP 31 2.161 6.702 -3.093 208 2HB ASP 31 2HB ASP 31 3.114 6.006 -4.388 209 H CYS 32 H CYS 32 5.998 4.961 -2.784 210 HA CYS 32 HA CYS 32 6.455 7.302 -1.121 211 1HB CYS 32 1HB CYS 32 8.100 4.958 -1.963 212 2HB CYS 32 2HB CYS 32 8.928 6.462 -1.616 213 H CYS 33 H CYS 33 6.644 9.253 -2.163 214 HA CYS 33 HA CYS 33 7.584 9.165 -4.937 215 1HB CYS 33 1HB CYS 33 5.700 11.109 -3.589 216 2HB CYS 33 2HB CYS 33 6.382 11.353 -5.185 217 H ARG 34 H ARG 34 9.284 10.611 -5.511 218 HA ARG 34 HA ARG 34 10.153 12.490 -3.542 219 1HB ARG 34 1HB ARG 34 11.271 10.234 -2.981 220 2HB ARG 34 2HB ARG 34 12.112 10.353 -4.512 221 1HG ARG 34 1HG ARG 34 12.441 12.884 -3.210 222 2HG ARG 34 2HG ARG 34 12.733 11.660 -1.992 223 1HD ARG 34 1HD ARG 34 14.856 11.668 -2.888 224 2HD ARG 34 2HD ARG 34 14.149 10.556 -4.043 225 HE ARG 34 HE ARG 34 13.585 12.931 -5.238 226 1HH1 ARG 34 1HH1 ARG 34 16.592 11.760 -3.775 227 2HH1 ARG 34 2HH1 ARG 34 17.609 12.701 -4.815 228 1HH2 ARG 34 1HH2 ARG 34 16.608 14.111 -6.474 229 H GLY 35 H GLY 35 10.489 14.318 -4.766 230 1HA GLY 35 1HA GLY 35 11.197 15.660 -6.425 231 2HA GLY 35 2HA GLY 35 12.304 14.395 -6.922 232 H LYS 36 H LYS 36 11.796 13.032 -8.670 233 HA LYS 36 HA LYS 36 9.164 13.489 -9.884 234 1HB LYS 36 1HB LYS 36 10.236 13.490 -12.096 235 2HB LYS 36 2HB LYS 36 10.763 14.835 -11.104 236 1HG LYS 36 1HG LYS 36 12.882 13.782 -10.616 237 2HG LYS 36 2HG LYS 36 12.338 12.231 -11.226 238 1HD LYS 36 1HD LYS 36 12.133 14.419 -13.222 239 2HD LYS 36 2HD LYS 36 13.773 14.124 -12.682 240 1HE LYS 36 1HE LYS 36 12.634 11.544 -13.086 241 2HE LYS 36 2HE LYS 36 12.104 12.505 -14.451 242 1HZ LYS 36 1HZ LYS 36 14.250 11.561 -14.948 243 2HZ LYS 36 2HZ LYS 36 14.476 13.163 -14.763 244 H SER 37 H SER 37 10.311 11.386 -8.031 245 HA SER 37 HA SER 37 9.914 9.156 -9.868 246 1HB SER 37 1HB SER 37 11.861 9.473 -7.567 247 2HB SER 37 2HB SER 37 11.315 7.875 -8.038 248 HG SER 37 HG SER 37 13.196 9.471 -9.232 249 H ARG 38 H ARG 38 8.788 7.264 -8.908 250 HA ARG 38 HA ARG 38 7.567 7.768 -6.354 251 1HB ARG 38 1HB ARG 38 5.895 8.759 -7.800 252 2HB ARG 38 2HB ARG 38 6.018 7.453 -8.963 253 1HG ARG 38 1HG ARG 38 5.129 5.859 -7.214 254 2HG ARG 38 2HG ARG 38 4.929 7.212 -6.118 255 1HD ARG 38 1HD ARG 38 2.781 7.044 -7.070 256 2HD ARG 38 2HD ARG 38 3.512 8.289 -8.062 257 HE ARG 38 HE ARG 38 4.092 5.754 -9.250 258 1HH1 ARG 38 1HH1 ARG 38 1.323 7.892 -8.684 259 2HH1 ARG 38 2HH1 ARG 38 0.444 7.322 -10.063 260 1HH2 ARG 38 1HH2 ARG 38 1.409 5.624 -11.452 261 H LEU 39 H LEU 39 6.619 5.773 -5.411 262 HA LEU 39 HA LEU 39 6.981 3.333 -6.913 263 1HB LEU 39 1HB LEU 39 9.079 4.269 -5.325 264 2HB LEU 39 2HB LEU 39 8.284 3.058 -4.337 265 HG LEU 39 HG LEU 39 8.548 1.391 -6.117 266 1HD1 LEU 39 1HD1 LEU 39 10.080 1.977 -8.053 267 2HD1 LEU 39 2HD1 LEU 39 8.431 2.646 -8.115 268 3HD1 LEU 39 3HD1 LEU 39 9.796 3.685 -7.639 269 1HD2 LEU 39 1HD2 LEU 39 11.323 2.188 -6.077 270 2HD2 LEU 39 2HD2 LEU 39 10.565 2.478 -4.492 271 3HD2 LEU 39 3HD2 LEU 39 10.508 0.855 -5.224 272 H THR 40 H THR 40 6.070 1.438 -5.684 273 HA THR 40 HA THR 40 4.282 2.240 -3.515 274 HB THR 40 HB THR 40 3.443 0.960 -6.169 275 HG1 THR 40 1HG THR 40 2.522 3.011 -6.402 276 1HG2 THR 40 1HG2 THR 40 1.869 1.520 -3.601 277 2HG2 THR 40 2HG2 THR 40 1.122 1.144 -5.172 278 3HG2 THR 40 3HG2 THR 40 2.128 -0.074 -4.351 279 H LEU 41 H LEU 41 4.895 0.990 -1.866 280 HA LEU 41 HA LEU 41 4.880 -1.864 -2.296 281 1HB LEU 41 1HB LEU 41 7.295 -0.943 -0.869 282 2HB LEU 41 2HB LEU 41 7.043 -2.344 -1.892 283 HG LEU 41 HG LEU 41 7.148 0.401 -3.116 284 1HD1 LEU 41 1HD1 LEU 41 9.418 -1.120 -1.920 285 2HD1 LEU 41 2HD1 LEU 41 9.680 -0.312 -3.484 286 3HD1 LEU 41 3HD1 LEU 41 9.159 0.634 -2.071 287 1HD2 LEU 41 1HD2 LEU 41 6.725 -2.140 -4.138 288 2HD2 LEU 41 2HD2 LEU 41 7.172 -0.685 -5.061 289 3HD2 LEU 41 3HD2 LEU 41 8.435 -1.813 -4.511 290 H CYS 42 H CYS 42 5.872 -2.664 0.189 291 HA CYS 42 HA CYS 42 3.895 -1.394 1.925 292 1HB CYS 42 1HB CYS 42 5.177 -3.992 2.631 293 2HB CYS 42 2HB CYS 42 3.568 -3.396 2.988 294 H SER 43 H SER 43 4.671 -0.104 3.563 295 HA SER 43 HA SER 43 7.086 -0.806 4.875 296 1HB SER 43 1HB SER 43 7.094 1.946 3.606 297 2HB SER 43 2HB SER 43 8.436 1.068 4.310 298 HG SER 43 HG SER 43 7.795 1.163 1.743 299 H TYR 44 H TYR 44 5.822 -0.831 6.785 300 HA TYR 44 HA TYR 44 4.412 1.652 7.439 301 1HB TYR 44 1HB TYR 44 4.454 -0.950 9.034 302 2HB TYR 44 2HB TYR 44 3.130 0.188 8.873 303 HD1 TYR 44 1HD TYR 44 1.920 0.319 6.606 304 HD2 TYR 44 2HD TYR 44 4.574 -2.867 7.659 305 HE1 TYR 44 1HE TYR 44 0.890 -1.145 4.800 306 HE2 TYR 44 2HE TYR 44 3.535 -4.320 5.851 307 HH TYR 44 HH TYR 44 0.646 -3.690 4.472 308 H GLY 45 H GLY 45 4.427 2.077 9.962 309 1HA GLY 45 1HA GLY 45 7.232 2.403 10.674 310 2HA GLY 45 2HA GLY 45 5.838 3.148 11.433 311 H GLU 46 H GLU 46 6.195 -0.360 10.704 312 HA GLU 46 HA GLU 46 6.182 -2.122 11.972 313 1HB GLU 46 1HB GLU 46 7.603 -0.372 14.028 314 2HB GLU 46 2HB GLU 46 7.543 -2.123 14.064 315 1HG GLU 46 1HG GLU 46 8.606 -0.646 11.626 316 2HG GLU 46 2HG GLU 46 9.641 -0.975 13.001 317 H GLY 47 H GLY 47 5.017 -3.219 13.722 318 1HA GLY 47 1HA GLY 47 3.537 -3.336 15.468 319 2HA GLY 47 2HA GLY 47 3.442 -1.588 15.533 320 H GLY 48 H GLY 48 2.706 -0.835 12.961 321 1HA GLY 48 1HA GLY 48 1.072 -1.716 11.287 322 2HA GLY 48 2HA GLY 48 0.085 -2.176 12.661 323 H ASN 49 H ASN 49 1.756 0.689 11.192 324 HA ASN 49 HA ASN 49 -0.574 2.231 11.990 325 1HB ASN 49 1HB ASN 49 1.745 2.549 13.349 326 2HB ASN 49 2HB ASN 49 2.147 3.557 11.973 327 1HD2 ASN 49 1HD2 ASN 49 2.016 5.548 12.735 328 2HD2 ASN 49 2HD2 ASN 49 0.631 6.275 13.481 329 H GLY 50 H GLY 50 0.756 4.715 10.882 330 1HA GLY 50 1HA GLY 50 -0.065 4.584 8.232 331 2HA GLY 50 2HA GLY 50 0.988 5.799 8.929 332 H PHE 51 H PHE 51 2.140 5.828 6.841 333 HA PHE 51 HA PHE 51 3.665 3.416 6.271 334 1HB PHE 51 1HB PHE 51 2.334 5.301 4.727 335 2HB PHE 51 2HB PHE 51 3.944 5.995 4.726 336 HD1 PHE 51 1HD PHE 51 2.650 2.493 4.476 337 HD2 PHE 51 2HD PHE 51 5.025 5.556 2.748 338 HE1 PHE 51 1HE PHE 51 3.323 0.930 2.632 339 HE2 PHE 51 2HE PHE 51 5.699 3.992 0.903 340 HZ PHE 51 HZ PHE 51 4.840 1.698 0.866 341 H GLN 52 H GLN 52 6.033 3.704 5.687 342 HA GLN 52 HA GLN 52 7.224 5.907 7.152 343 1HB GLN 52 1HB GLN 52 7.071 3.461 8.342 344 2HB GLN 52 2HB GLN 52 8.562 3.244 7.447 345 1HG GLN 52 1HG GLN 52 7.964 5.513 9.403 346 2HG GLN 52 2HG GLN 52 9.021 4.148 9.707 347 1HE2 GLN 52 1HE2 GLN 52 10.962 3.924 8.533 348 2HE2 GLN 52 2HE2 GLN 52 11.758 5.281 7.809 349 H CYS 53 H CYS 53 7.355 6.568 4.777 350 HA CYS 53 HA CYS 53 8.684 5.217 2.849 351 1HB CYS 53 1HB CYS 53 8.211 8.070 3.461 352 2HB CYS 53 2HB CYS 53 9.534 7.750 2.358 353 HA PRO 54 HA PRO 54 12.750 4.958 4.435 354 1HB PRO 54 1HB PRO 54 14.030 4.019 2.211 355 2HB PRO 54 2HB PRO 54 13.138 2.986 3.311 356 1HG PRO 54 1HG PRO 54 12.366 3.929 0.617 357 2HG PRO 54 2HG PRO 54 11.714 2.590 1.541 358 1HD PRO 54 1HD PRO 54 10.504 5.162 1.159 359 2HD PRO 54 2HD PRO 54 9.909 3.865 2.176 360 H THR 55 H THR 55 15.163 5.483 3.642 361 HA THR 55 HA THR 55 15.129 8.305 3.425 362 HB THR 55 HB THR 55 16.860 6.483 4.424 363 HG1 THR 55 1HG THR 55 17.727 8.483 4.799 364 1HG2 THR 55 1HG2 THR 55 17.565 5.567 2.215 365 2HG2 THR 55 2HG2 THR 55 17.944 7.213 1.652 366 3HG2 THR 55 3HG2 THR 55 18.899 6.478 2.962 367 H GLY 56 H GLY 56 14.959 9.609 1.718 368 1HA GLY 56 1HA GLY 56 15.602 10.271 -0.438 369 2HA GLY 56 2HA GLY 56 15.845 8.596 -0.894 370 H TYR 57 H TYR 57 13.076 8.366 0.861 371 HA TYR 57 HA TYR 57 11.402 8.888 -1.503 372 1HB TYR 57 1HB TYR 57 11.558 6.788 0.715 373 2HB TYR 57 2HB TYR 57 10.008 7.074 -0.054 374 HD1 TYR 57 1HD TYR 57 12.864 7.552 -2.219 375 HD2 TYR 57 2HD TYR 57 10.157 4.619 -0.679 376 HE1 TYR 57 1HE TYR 57 13.502 5.965 -4.100 377 HE2 TYR 57 2HE TYR 57 10.805 3.042 -2.565 378 HH TYR 57 HH TYR 57 12.444 4.068 -5.288 379 H ARG 58 H ARG 58 9.244 9.700 -1.152 380 HA ARG 58 HA ARG 58 8.775 10.665 1.536 381 1HB ARG 58 1HB ARG 58 9.406 12.314 -0.806 382 2HB ARG 58 2HB ARG 58 7.812 12.711 -0.196 383 1HG ARG 58 1HG ARG 58 8.665 13.735 1.650 384 2HG ARG 58 2HG ARG 58 9.715 12.377 2.010 385 1HD ARG 58 1HD ARG 58 11.530 13.425 1.110 386 2HD ARG 58 2HD ARG 58 10.666 13.812 -0.364 387 HE ARG 58 HE ARG 58 10.999 15.549 1.979 388 1HH1 ARG 58 1HH1 ARG 58 9.077 14.946 -0.937 389 2HH1 ARG 58 2HH1 ARG 58 8.501 16.575 -1.044 390 1HH2 ARG 58 1HH2 ARG 58 9.197 18.177 0.597 391 H GLN 59 H GLN 59 6.824 9.736 2.080 392 HA GLN 59 HA GLN 59 5.126 8.433 0.576 393 1HB GLN 59 1HB GLN 59 3.361 8.928 2.222 394 2HB GLN 59 2HB GLN 59 4.902 8.704 3.025 395 1HG GLN 59 1HG GLN 59 4.987 11.413 2.568 396 2HG GLN 59 2HG GLN 59 3.257 11.184 2.729 397 1HE2 GLN 59 1HE2 GLN 59 2.626 9.667 4.582 398 2HE2 GLN 59 2HE2 GLN 59 3.389 9.948 6.111 399 H CYS 60 H CYS 60 3.462 8.764 -0.919 400 HA CYS 60 HA CYS 60 3.443 11.337 -2.157 401 1HB CYS 60 1HB CYS 60 2.961 8.707 -2.972 402 2HB CYS 60 2HB CYS 60 1.401 9.497 -3.093 Start of MODEL 21 1 1H ASP 1 1H ASP 1 -23.321 -10.948 -5.467 2 HA ASP 1 HA ASP 1 -23.701 -9.804 -3.665 3 1HB ASP 1 1HB ASP 1 -21.023 -10.558 -2.476 4 2HB ASP 1 2HB ASP 1 -22.575 -10.428 -1.675 5 H ARG 2 H ARG 2 -22.270 -8.234 -1.871 6 HA ARG 2 HA ARG 2 -21.104 -6.308 -3.666 7 1HB ARG 2 1HB ARG 2 -21.650 -5.962 -0.682 8 2HB ARG 2 2HB ARG 2 -21.447 -4.695 -1.875 9 1HG ARG 2 1HG ARG 2 -23.597 -6.545 -2.645 10 2HG ARG 2 2HG ARG 2 -23.884 -5.869 -1.055 11 1HD ARG 2 1HD ARG 2 -22.969 -3.692 -2.657 12 2HD ARG 2 2HD ARG 2 -24.103 -4.573 -3.662 13 HE ARG 2 HE ARG 2 -24.784 -2.945 -1.407 14 1HH1 ARG 2 1HH1 ARG 2 -25.672 -6.046 -2.872 15 2HH1 ARG 2 2HH1 ARG 2 -27.284 -6.024 -2.240 16 1HH2 ARG 2 1HH2 ARG 2 -27.991 -4.173 -0.891 17 H CYS 3 H CYS 3 -19.118 -5.034 -2.783 18 HA CYS 3 HA CYS 3 -17.481 -5.769 -0.813 19 1HB CYS 3 1HB CYS 3 -17.194 -7.993 -1.298 20 2HB CYS 3 2HB CYS 3 -17.290 -7.756 -3.032 21 H ARG 4 H ARG 4 -15.436 -4.620 -1.003 22 HA ARG 4 HA ARG 4 -15.419 -2.913 -3.345 23 1HB ARG 4 1HB ARG 4 -15.450 -2.064 -0.843 24 2HB ARG 4 2HB ARG 4 -13.746 -2.472 -0.844 25 1HG ARG 4 1HG ARG 4 -13.733 -0.205 -1.504 26 2HG ARG 4 2HG ARG 4 -13.597 -1.051 -3.032 27 1HD ARG 4 1HD ARG 4 -15.293 0.614 -3.376 28 2HD ARG 4 2HD ARG 4 -16.159 -0.902 -3.222 29 HE ARG 4 HE ARG 4 -15.916 0.228 -0.613 30 1HH1 ARG 4 1HH1 ARG 4 -17.571 0.895 -3.674 31 2HH1 ARG 4 2HH1 ARG 4 -18.888 1.732 -2.923 32 1HH2 ARG 4 1HH2 ARG 4 -18.916 1.977 -0.539 33 H TYR 5 H TYR 5 -14.441 -4.897 -4.504 34 HA TYR 5 HA TYR 5 -12.093 -6.103 -3.903 35 1HB TYR 5 1HB TYR 5 -13.220 -4.970 -6.536 36 2HB TYR 5 2HB TYR 5 -11.894 -6.115 -6.505 37 HD1 TYR 5 1HD TYR 5 -12.268 -8.466 -5.933 38 HD2 TYR 5 2HD TYR 5 -15.507 -5.671 -5.998 39 HE1 TYR 5 1HE TYR 5 -13.935 -10.385 -5.918 40 HE2 TYR 5 2HE TYR 5 -17.162 -7.600 -5.984 41 HH TYR 5 HH TYR 5 -16.301 -10.718 -6.696 42 H THR 6 H THR 6 -10.097 -5.368 -3.394 43 HA THR 6 HA THR 6 -9.004 -3.178 -4.976 44 HB THR 6 HB THR 6 -9.887 -1.900 -3.155 45 HG1 THR 6 1HG THR 6 -7.813 -1.206 -2.833 46 1HG2 THR 6 1HG2 THR 6 -9.700 -4.397 -1.704 47 2HG2 THR 6 2HG2 THR 6 -8.738 -3.177 -0.837 48 3HG2 THR 6 3HG2 THR 6 -10.459 -2.877 -1.174 49 H LEU 7 H LEU 7 -6.586 -2.838 -4.238 50 HA LEU 7 HA LEU 7 -5.478 -5.540 -4.183 51 1HB LEU 7 1HB LEU 7 -4.626 -2.916 -5.310 52 2HB LEU 7 2HB LEU 7 -3.378 -4.039 -4.808 53 HG LEU 7 HG LEU 7 -5.520 -5.171 -6.526 54 1HD1 LEU 7 1HD1 LEU 7 -4.004 -4.233 -8.514 55 2HD1 LEU 7 2HD1 LEU 7 -5.440 -3.374 -7.910 56 3HD1 LEU 7 3HD1 LEU 7 -3.817 -2.882 -7.371 57 1HD2 LEU 7 1HD2 LEU 7 -2.558 -5.420 -6.950 58 2HD2 LEU 7 2HD2 LEU 7 -3.347 -6.276 -5.604 59 3HD2 LEU 7 3HD2 LEU 7 -3.860 -6.589 -7.280 60 H CYS 8 H CYS 8 -4.659 -6.322 -2.323 61 HA CYS 8 HA CYS 8 -3.806 -4.332 -0.347 62 1HB CYS 8 1HB CYS 8 -4.932 -7.089 0.181 63 2HB CYS 8 2HB CYS 8 -4.401 -5.939 1.391 64 H CYS 9 H CYS 9 -2.001 -5.198 1.120 65 HA CYS 9 HA CYS 9 -0.168 -6.738 -0.542 66 1HB CYS 9 1HB CYS 9 0.200 -4.728 1.654 67 2HB CYS 9 2HB CYS 9 1.473 -5.882 1.306 68 H ASP 10 H ASP 10 0.533 -8.776 0.126 69 HA ASP 10 HA ASP 10 -0.457 -9.609 2.740 70 1HB ASP 10 1HB ASP 10 -0.275 -11.026 0.072 71 2HB ASP 10 2HB ASP 10 -0.170 -11.980 1.537 72 H GLY 11 H GLY 11 2.127 -8.286 2.124 73 1HA GLY 11 1HA GLY 11 4.373 -8.579 2.238 74 2HA GLY 11 2HA GLY 11 3.942 -9.605 3.592 75 H ALA 12 H ALA 12 2.915 -10.437 0.289 76 HA ALA 12 HA ALA 12 4.729 -12.735 0.419 77 1HB ALA 12 1HB ALA 12 3.141 -13.798 -1.112 78 2HB ALA 12 2HB ALA 12 2.278 -13.167 0.312 79 3HB ALA 12 3HB ALA 12 2.210 -12.286 -1.233 80 H LEU 13 H LEU 13 3.685 -12.693 -2.674 81 HA LEU 13 HA LEU 13 6.167 -11.869 -3.689 82 1HB LEU 13 1HB LEU 13 5.437 -12.709 -5.640 83 2HB LEU 13 2HB LEU 13 4.283 -13.484 -4.574 84 HG LEU 13 HG LEU 13 3.135 -12.670 -6.518 85 1HD1 LEU 13 1HD1 LEU 13 2.041 -10.564 -4.890 86 2HD1 LEU 13 2HD1 LEU 13 1.368 -12.164 -5.280 87 3HD1 LEU 13 3HD1 LEU 13 2.446 -11.971 -3.878 88 1HD2 LEU 13 1HD2 LEU 13 3.811 -10.875 -7.628 89 2HD2 LEU 13 2HD2 LEU 13 3.281 -9.839 -6.281 90 3HD2 LEU 13 3HD2 LEU 13 4.944 -10.471 -6.315 91 H LYS 14 H LYS 14 3.009 -10.244 -3.245 92 HA LYS 14 HA LYS 14 4.019 -7.729 -3.056 93 1HB LYS 14 1HB LYS 14 4.497 -8.495 -5.642 94 2HB LYS 14 2HB LYS 14 2.948 -7.692 -5.807 95 1HG LYS 14 1HG LYS 14 4.790 -6.068 -6.079 96 2HG LYS 14 2HG LYS 14 3.838 -5.677 -4.661 97 1HD LYS 14 1HD LYS 14 5.835 -7.476 -3.737 98 2HD LYS 14 2HD LYS 14 6.668 -6.398 -4.839 99 1HE LYS 14 1HE LYS 14 4.767 -5.040 -2.982 100 2HE LYS 14 2HE LYS 14 6.125 -5.816 -2.193 101 1HZ LYS 14 1HZ LYS 14 6.134 -3.519 -3.958 102 2HZ LYS 14 2HZ LYS 14 7.171 -3.897 -2.760 103 H ALA 15 H ALA 15 2.028 -6.124 -4.178 104 HA ALA 15 HA ALA 15 -0.140 -6.766 -2.484 105 1HB ALA 15 1HB ALA 15 -1.083 -4.701 -3.328 106 2HB ALA 15 2HB ALA 15 0.668 -4.463 -3.113 107 3HB ALA 15 3HB ALA 15 -0.001 -4.729 -4.741 108 H VAL 16 H VAL 16 -1.683 -8.271 -2.854 109 HA VAL 16 HA VAL 16 -2.318 -8.844 -5.664 110 HB VAL 16 HB VAL 16 -3.310 -10.914 -4.114 111 1HG1 VAL 16 1HG1 VAL 16 -0.781 -11.742 -5.025 112 2HG1 VAL 16 2HG1 VAL 16 -2.339 -11.886 -5.875 113 3HG1 VAL 16 3HG1 VAL 16 -1.300 -10.467 -6.154 114 1HG2 VAL 16 1HG2 VAL 16 -2.052 -10.062 -2.164 115 2HG2 VAL 16 2HG2 VAL 16 -1.467 -11.657 -2.698 116 3HG2 VAL 16 3HG2 VAL 16 -0.540 -10.190 -3.096 117 H SER 17 H SER 17 -4.532 -9.013 -6.279 118 HA SER 17 HA SER 17 -6.177 -7.179 -5.053 119 1HB SER 17 1HB SER 17 -6.469 -7.807 -7.388 120 2HB SER 17 2HB SER 17 -6.795 -9.475 -6.958 121 HG SER 17 HG SER 17 -8.687 -7.959 -7.439 122 H ALA 18 H ALA 18 -8.203 -7.478 -3.841 123 HA ALA 18 HA ALA 18 -8.679 -10.102 -2.723 124 1HB ALA 18 1HB ALA 18 -7.113 -8.106 -1.345 125 2HB ALA 18 2HB ALA 18 -8.653 -8.347 -0.485 126 3HB ALA 18 3HB ALA 18 -7.582 -9.734 -0.799 127 H CYS 19 H CYS 19 -10.766 -10.160 -1.535 128 HA CYS 19 HA CYS 19 -12.489 -7.984 -2.475 129 1HB CYS 19 1HB CYS 19 -12.784 -10.372 -3.392 130 2HB CYS 19 2HB CYS 19 -13.431 -10.768 -1.812 131 H LEU 20 H LEU 20 -12.429 -6.622 -0.648 132 HA LEU 20 HA LEU 20 -13.417 -7.862 1.823 133 1HB LEU 20 1HB LEU 20 -11.853 -6.867 3.124 134 2HB LEU 20 2HB LEU 20 -10.903 -7.192 1.687 135 HG LEU 20 HG LEU 20 -12.107 -4.585 1.452 136 1HD1 LEU 20 1HD1 LEU 20 -12.192 -4.703 3.934 137 2HD1 LEU 20 2HD1 LEU 20 -10.427 -4.936 3.949 138 3HD1 LEU 20 3HD1 LEU 20 -11.121 -3.424 3.315 139 1HD2 LEU 20 1HD2 LEU 20 -9.395 -5.818 1.372 140 2HD2 LEU 20 2HD2 LEU 20 -10.243 -4.817 0.169 141 3HD2 LEU 20 3HD2 LEU 20 -9.504 -4.056 1.599 142 H HIS 21 H HIS 21 -14.391 -6.105 3.323 143 HA HIS 21 HA HIS 21 -15.864 -4.249 1.599 144 1HB HIS 21 1HB HIS 21 -16.780 -5.514 4.195 145 2HB HIS 21 2HB HIS 21 -17.718 -4.442 3.174 146 HD1 HIS 21 1HD HIS 21 -19.012 -7.071 3.675 147 HD2 HIS 21 2HD HIS 21 -16.254 -6.536 0.560 148 HE1 HIS 21 1HE HIS 21 -19.469 -8.930 1.989 149 H GLU 22 H GLU 22 -16.911 -2.446 3.271 150 HA GLU 22 HA GLU 22 -14.651 -0.975 4.036 151 1HB GLU 22 1HB GLU 22 -17.451 -0.513 3.614 152 2HB GLU 22 2HB GLU 22 -17.068 0.092 5.213 153 1HG GLU 22 1HG GLU 22 -16.728 1.845 3.484 154 2HG GLU 22 2HG GLU 22 -15.227 1.464 4.304 155 H SER 23 H SER 23 -16.778 -3.251 5.673 156 HA SER 23 HA SER 23 -16.145 -2.300 8.273 157 1HB SER 23 1HB SER 23 -17.983 -4.169 7.085 158 2HB SER 23 2HB SER 23 -17.073 -5.032 8.307 159 HG SER 23 HG SER 23 -18.709 -2.680 8.620 160 H GLU 24 H GLU 24 -14.287 -3.755 5.940 161 HA GLU 24 HA GLU 24 -12.674 -5.063 7.981 162 1HB GLU 24 1HB GLU 24 -13.993 -6.622 6.319 163 2HB GLU 24 2HB GLU 24 -12.788 -6.129 5.147 164 1HG GLU 24 1HG GLU 24 -11.406 -6.799 7.589 165 2HG GLU 24 2HG GLU 24 -12.541 -8.091 7.252 166 H SER 25 H SER 25 -10.314 -5.167 7.398 167 HA SER 25 HA SER 25 -9.599 -3.265 5.334 168 1HB SER 25 1HB SER 25 -9.657 -2.461 7.965 169 2HB SER 25 2HB SER 25 -8.009 -3.047 7.846 170 HG SER 25 HG SER 25 -7.562 -1.566 6.196 171 H CYS 26 H CYS 26 -7.204 -3.425 4.778 172 HA CYS 26 HA CYS 26 -6.038 -5.945 5.660 173 1HB CYS 26 1HB CYS 26 -5.292 -6.170 3.160 174 2HB CYS 26 2HB CYS 26 -6.827 -6.809 3.715 175 H LEU 27 H LEU 27 -3.639 -5.963 4.530 176 HA LEU 27 HA LEU 27 -2.403 -3.594 5.520 177 1HB LEU 27 1HB LEU 27 -1.609 -6.050 5.599 178 2HB LEU 27 2HB LEU 27 -1.046 -5.776 3.961 179 HG LEU 27 HG LEU 27 0.039 -3.619 5.248 180 1HD1 LEU 27 1HD1 LEU 27 -0.135 -3.913 7.457 181 2HD1 LEU 27 2HD1 LEU 27 -0.579 -5.630 7.291 182 3HD1 LEU 27 3HD1 LEU 27 1.133 -5.145 7.251 183 1HD2 LEU 27 1HD2 LEU 27 1.045 -5.371 3.677 184 2HD2 LEU 27 2HD2 LEU 27 2.117 -4.644 4.897 185 3HD2 LEU 27 3HD2 LEU 27 1.460 -6.279 5.151 186 H VAL 28 H VAL 28 -3.275 -1.891 4.220 187 HA VAL 28 HA VAL 28 -3.084 -1.983 1.396 188 HB VAL 28 HB VAL 28 -4.756 -0.644 2.389 189 1HG1 VAL 28 1HG1 VAL 28 -4.472 0.275 4.400 190 2HG1 VAL 28 2HG1 VAL 28 -2.720 -0.030 4.322 191 3HG1 VAL 28 3HG1 VAL 28 -3.390 1.487 3.675 192 1HG2 VAL 28 1HG2 VAL 28 -2.539 0.883 1.051 193 2HG2 VAL 28 2HG2 VAL 28 -4.152 0.449 0.439 194 3HG2 VAL 28 3HG2 VAL 28 -3.977 1.748 1.642 195 HA PRO 29 HA PRO 29 1.065 -0.833 0.963 196 1HB PRO 29 1HB PRO 29 1.070 -0.030 -1.650 197 2HB PRO 29 2HB PRO 29 1.153 -1.712 -1.163 198 1HG PRO 29 1HG PRO 29 -1.138 -0.219 -2.285 199 2HG PRO 29 2HG PRO 29 -0.896 -1.951 -2.193 200 1HD PRO 29 1HD PRO 29 -2.597 -0.364 -0.515 201 2HD PRO 29 2HD PRO 29 -2.266 -2.077 -0.351 202 H GLY 30 H GLY 30 2.412 1.078 -0.305 203 1HA GLY 30 1HA GLY 30 1.068 3.603 0.301 204 2HA GLY 30 2HA GLY 30 2.496 3.211 1.235 205 H ASP 31 H ASP 31 2.136 5.432 -0.683 206 HA ASP 31 HA ASP 31 3.947 4.572 -2.789 207 1HB ASP 31 1HB ASP 31 2.431 7.211 -2.594 208 2HB ASP 31 2HB ASP 31 3.229 6.558 -4.011 209 H CYS 32 H CYS 32 6.092 4.987 -2.221 210 HA CYS 32 HA CYS 32 6.635 7.123 -0.355 211 1HB CYS 32 1HB CYS 32 8.204 4.831 -1.479 212 2HB CYS 32 2HB CYS 32 9.054 6.196 -0.782 213 H CYS 33 H CYS 33 7.155 9.164 -1.063 214 HA CYS 33 HA CYS 33 7.822 9.443 -3.882 215 1HB CYS 33 1HB CYS 33 6.316 11.006 -1.964 216 2HB CYS 33 2HB CYS 33 7.563 11.982 -2.715 217 H ARG 34 H ARG 34 9.900 10.010 -4.508 218 HA ARG 34 HA ARG 34 11.646 10.929 -2.369 219 1HB ARG 34 1HB ARG 34 12.218 8.589 -2.858 220 2HB ARG 34 2HB ARG 34 12.261 8.909 -4.580 221 1HG ARG 34 1HG ARG 34 14.045 10.804 -3.472 222 2HG ARG 34 2HG ARG 34 14.350 9.338 -2.562 223 1HD ARG 34 1HD ARG 34 15.795 9.114 -4.427 224 2HD ARG 34 2HD ARG 34 14.417 8.130 -4.880 225 HE ARG 34 HE ARG 34 13.784 10.663 -5.858 226 1HH1 ARG 34 1HH1 ARG 34 16.501 8.431 -6.301 227 2HH1 ARG 34 2HH1 ARG 34 16.854 8.983 -7.904 228 1HH2 ARG 34 1HH2 ARG 34 15.519 10.724 -8.867 229 H GLY 35 H GLY 35 11.864 13.105 -2.921 230 1HA GLY 35 1HA GLY 35 12.480 14.921 -4.091 231 2HA GLY 35 2HA GLY 35 13.434 13.862 -5.110 232 H LYS 36 H LYS 36 12.365 12.771 -6.972 233 HA LYS 36 HA LYS 36 9.815 13.957 -7.730 234 1HB LYS 36 1HB LYS 36 10.566 14.803 -9.793 235 2HB LYS 36 2HB LYS 36 11.720 15.385 -8.610 236 1HG LYS 36 1HG LYS 36 13.296 13.565 -9.201 237 2HG LYS 36 2HG LYS 36 12.131 12.886 -10.319 238 1HD LYS 36 1HD LYS 36 12.859 14.269 -11.958 239 2HD LYS 36 2HD LYS 36 12.433 15.667 -10.994 240 1HE LYS 36 1HE LYS 36 14.743 14.976 -9.727 241 2HE LYS 36 2HE LYS 36 15.098 14.319 -11.312 242 1HZ LYS 36 1HZ LYS 36 15.699 16.745 -10.930 243 2HZ LYS 36 2HZ LYS 36 14.851 16.449 -12.289 244 H SER 37 H SER 37 10.885 11.297 -6.754 245 HA SER 37 HA SER 37 9.925 9.797 -9.055 246 1HB SER 37 1HB SER 37 12.435 9.374 -7.449 247 2HB SER 37 2HB SER 37 11.574 7.950 -7.997 248 HG SER 37 HG SER 37 13.236 8.755 -9.506 249 H ARG 38 H ARG 38 7.995 8.896 -8.435 250 HA ARG 38 HA ARG 38 7.718 8.256 -5.621 251 1HB ARG 38 1HB ARG 38 5.223 8.093 -6.253 252 2HB ARG 38 2HB ARG 38 5.935 9.691 -6.357 253 1HG ARG 38 1HG ARG 38 5.904 9.717 -8.694 254 2HG ARG 38 2HG ARG 38 6.057 7.976 -8.827 255 1HD ARG 38 1HD ARG 38 3.539 9.356 -7.783 256 2HD ARG 38 2HD ARG 38 3.764 8.914 -9.464 257 HE ARG 38 HE ARG 38 4.216 6.698 -7.588 258 1HH1 ARG 38 1HH1 ARG 38 1.809 8.405 -9.548 259 2HH1 ARG 38 2HH1 ARG 38 0.720 7.059 -9.607 260 1HH2 ARG 38 1HH2 ARG 38 1.312 5.021 -8.494 261 H LEU 39 H LEU 39 6.935 6.143 -4.962 262 HA LEU 39 HA LEU 39 6.536 4.161 -7.025 263 1HB LEU 39 1HB LEU 39 8.350 2.848 -6.660 264 2HB LEU 39 2HB LEU 39 9.062 4.440 -6.481 265 HG LEU 39 HG LEU 39 8.168 2.699 -4.167 266 1HD1 LEU 39 1HD1 LEU 39 10.578 2.292 -3.789 267 2HD1 LEU 39 2HD1 LEU 39 9.988 1.602 -5.321 268 3HD1 LEU 39 3HD1 LEU 39 10.936 3.109 -5.330 269 1HD2 LEU 39 1HD2 LEU 39 9.640 5.335 -4.306 270 2HD2 LEU 39 2HD2 LEU 39 8.113 4.960 -3.472 271 3HD2 LEU 39 3HD2 LEU 39 9.646 4.289 -2.865 272 H THR 40 H THR 40 5.164 2.525 -6.340 273 HA THR 40 HA THR 40 4.261 2.786 -3.551 274 HB THR 40 HB THR 40 2.741 1.609 -5.925 275 HG1 THR 40 1HG THR 40 2.311 3.740 -6.440 276 1HG2 THR 40 1HG2 THR 40 1.176 3.129 -4.033 277 2HG2 THR 40 2HG2 THR 40 1.067 1.388 -4.389 278 3HG2 THR 40 3HG2 THR 40 2.166 1.969 -3.115 279 H LEU 41 H LEU 41 4.841 1.238 -2.177 280 HA LEU 41 HA LEU 41 4.843 -1.495 -3.107 281 1HB LEU 41 1HB LEU 41 7.029 -1.959 -2.991 282 2HB LEU 41 2HB LEU 41 7.175 -0.268 -3.427 283 HG LEU 41 HG LEU 41 7.110 -0.115 -0.687 284 1HD1 LEU 41 1HD1 LEU 41 8.214 -1.841 0.355 285 2HD1 LEU 41 2HD1 LEU 41 7.249 -2.732 -0.847 286 3HD1 LEU 41 3HD1 LEU 41 8.975 -2.415 -1.148 287 1HD2 LEU 41 1HD2 LEU 41 9.141 0.834 -0.934 288 2HD2 LEU 41 2HD2 LEU 41 9.794 -0.535 -1.866 289 3HD2 LEU 41 3HD2 LEU 41 8.766 0.676 -2.667 290 H CYS 42 H CYS 42 5.337 -2.991 -1.131 291 HA CYS 42 HA CYS 42 3.744 -1.918 1.029 292 1HB CYS 42 1HB CYS 42 4.798 -4.708 1.051 293 2HB CYS 42 2HB CYS 42 3.269 -4.079 1.631 294 H SER 43 H SER 43 4.716 -1.049 2.829 295 HA SER 43 HA SER 43 7.123 -2.246 3.794 296 1HB SER 43 1HB SER 43 7.409 -0.083 2.056 297 2HB SER 43 2HB SER 43 7.463 0.687 3.628 298 HG SER 43 HG SER 43 9.004 -1.446 3.924 299 H TYR 44 H TYR 44 7.011 -2.258 6.022 300 HA TYR 44 HA TYR 44 4.881 -0.707 7.238 301 1HB TYR 44 1HB TYR 44 6.896 -2.544 8.614 302 2HB TYR 44 2HB TYR 44 5.202 -2.329 9.007 303 HD1 TYR 44 1HD TYR 44 7.591 -4.049 6.805 304 HD2 TYR 44 2HD TYR 44 3.459 -3.544 7.792 305 HE1 TYR 44 1HE TYR 44 7.011 -6.133 5.471 306 HE2 TYR 44 2HE TYR 44 2.892 -5.630 6.454 307 HH TYR 44 HH TYR 44 4.652 -6.870 4.220 308 H GLY 45 H GLY 45 5.342 0.312 9.443 309 1HA GLY 45 1HA GLY 45 7.787 1.029 10.413 310 2HA GLY 45 2HA GLY 45 7.497 2.185 9.129 311 H GLU 46 H GLU 46 7.260 1.862 12.381 312 HA GLU 46 HA GLU 46 4.627 2.917 12.715 313 1HB GLU 46 1HB GLU 46 6.862 2.667 14.775 314 2HB GLU 46 2HB GLU 46 5.156 2.891 15.108 315 1HG GLU 46 1HG GLU 46 6.177 0.497 13.524 316 2HG GLU 46 2HG GLU 46 6.096 0.476 15.275 317 H GLY 47 H GLY 47 4.058 5.065 13.226 318 1HA GLY 47 1HA GLY 47 5.387 7.139 14.161 319 2HA GLY 47 2HA GLY 47 6.099 7.049 12.562 320 H GLY 48 H GLY 48 3.954 6.253 10.940 321 1HA GLY 48 1HA GLY 48 2.256 8.648 11.094 322 2HA GLY 48 2HA GLY 48 2.586 7.680 9.671 323 H ASN 49 H ASN 49 1.540 5.579 9.407 324 HA ASN 49 HA ASN 49 -0.541 5.033 11.337 325 1HB ASN 49 1HB ASN 49 -2.153 4.649 9.354 326 2HB ASN 49 2HB ASN 49 -1.797 6.322 9.732 327 1HD2 ASN 49 1HD2 ASN 49 -2.427 6.811 7.584 328 2HD2 ASN 49 2HD2 ASN 49 -1.340 6.607 6.250 329 H GLY 50 H GLY 50 1.193 3.281 11.675 330 1HA GLY 50 1HA GLY 50 1.704 1.087 11.515 331 2HA GLY 50 2HA GLY 50 0.486 0.901 10.269 332 H PHE 51 H PHE 51 1.171 2.289 8.116 333 HA PHE 51 HA PHE 51 3.671 1.071 7.342 334 1HB PHE 51 1HB PHE 51 1.713 0.918 5.855 335 2HB PHE 51 2HB PHE 51 1.400 2.637 5.997 336 HD1 PHE 51 1HD PHE 51 3.342 4.194 5.122 337 HD2 PHE 51 2HD PHE 51 2.821 0.141 3.980 338 HE1 PHE 51 1HE PHE 51 4.680 4.609 3.039 339 HE2 PHE 51 2HE PHE 51 4.159 0.555 1.897 340 HZ PHE 51 HZ PHE 51 5.072 2.785 1.452 341 H GLN 52 H GLN 52 5.456 2.221 6.387 342 HA GLN 52 HA GLN 52 5.360 5.094 6.658 343 1HB GLN 52 1HB GLN 52 6.346 3.815 8.779 344 2HB GLN 52 2HB GLN 52 7.780 3.681 7.781 345 1HG GLN 52 1HG GLN 52 8.248 5.930 7.907 346 2HG GLN 52 2HG GLN 52 6.563 6.396 7.785 347 1HE2 GLN 52 1HE2 GLN 52 9.005 5.032 9.942 348 2HE2 GLN 52 2HE2 GLN 52 8.332 5.588 11.438 349 H CYS 53 H CYS 53 7.904 5.819 5.988 350 HA CYS 53 HA CYS 53 8.339 4.359 3.485 351 1HB CYS 53 1HB CYS 53 8.253 7.265 4.111 352 2HB CYS 53 2HB CYS 53 9.460 6.736 2.956 353 HA PRO 54 HA PRO 54 12.351 3.692 5.056 354 1HB PRO 54 1HB PRO 54 13.692 3.039 2.767 355 2HB PRO 54 2HB PRO 54 12.687 1.904 3.645 356 1HG PRO 54 1HG PRO 54 12.112 3.311 1.110 357 2HG PRO 54 2HG PRO 54 11.338 1.887 1.774 358 1HD PRO 54 1HD PRO 54 10.296 4.559 1.764 359 2HD PRO 54 2HD PRO 54 9.577 3.156 2.529 360 H THR 55 H THR 55 14.803 4.213 4.596 361 HA THR 55 HA THR 55 14.954 7.007 4.814 362 HB THR 55 HB THR 55 16.532 5.119 5.681 363 HG1 THR 55 1HG THR 55 17.615 7.365 4.133 364 1HG2 THR 55 1HG2 THR 55 18.431 4.590 4.235 365 2HG2 THR 55 2HG2 THR 55 16.952 4.126 3.360 366 3HG2 THR 55 3HG2 THR 55 17.796 5.636 2.942 367 H GLY 56 H GLY 56 15.345 8.652 3.411 368 1HA GLY 56 1HA GLY 56 15.935 9.641 1.433 369 2HA GLY 56 2HA GLY 56 16.181 8.069 0.698 370 H TYR 57 H TYR 57 13.272 7.684 2.225 371 HA TYR 57 HA TYR 57 11.783 8.697 -0.104 372 1HB TYR 57 1HB TYR 57 11.701 6.162 1.620 373 2HB TYR 57 2HB TYR 57 10.282 6.636 0.707 374 HD1 TYR 57 1HD TYR 57 10.609 6.998 -1.862 375 HD2 TYR 57 2HD TYR 57 13.353 4.840 0.613 376 HE1 TYR 57 1HE TYR 57 11.542 5.818 -3.911 377 HE2 TYR 57 2HE TYR 57 14.275 3.667 -1.446 378 HH TYR 57 HH TYR 57 13.609 4.735 -4.579 379 H ARG 58 H ARG 58 9.563 9.372 0.290 380 HA ARG 58 HA ARG 58 8.856 9.657 3.061 381 1HB ARG 58 1HB ARG 58 10.176 11.743 2.337 382 2HB ARG 58 2HB ARG 58 8.884 12.085 1.204 383 1HG ARG 58 1HG ARG 58 7.832 11.522 3.894 384 2HG ARG 58 2HG ARG 58 8.982 12.845 3.920 385 1HD ARG 58 1HD ARG 58 7.610 13.672 1.775 386 2HD ARG 58 2HD ARG 58 6.350 12.651 2.440 387 HE ARG 58 HE ARG 58 7.292 14.191 4.602 388 1HH1 ARG 58 1HH1 ARG 58 5.764 14.824 1.468 389 2HH1 ARG 58 2HH1 ARG 58 5.002 16.287 1.996 390 1HH2 ARG 58 1HH2 ARG 58 5.323 17.030 4.252 391 H GLN 59 H GLN 59 6.697 9.120 3.243 392 HA GLN 59 HA GLN 59 5.152 8.239 1.307 393 1HB GLN 59 1HB GLN 59 4.688 9.367 3.978 394 2HB GLN 59 2HB GLN 59 3.297 9.590 2.938 395 1HG GLN 59 1HG GLN 59 3.762 7.030 2.301 396 2HG GLN 59 2HG GLN 59 4.596 7.015 3.841 397 1HE2 GLN 59 1HE2 GLN 59 3.392 8.007 5.695 398 2HE2 GLN 59 2HE2 GLN 59 1.701 7.659 5.846 399 H CYS 60 H CYS 60 3.966 8.983 -0.434 400 HA CYS 60 HA CYS 60 4.310 11.735 -1.121 401 1HB CYS 60 1HB CYS 60 4.150 9.460 -2.577 402 2HB CYS 60 2HB CYS 60 2.497 10.024 -2.723 Start of MODEL 22 1 1H ASP 1 1H ASP 1 -23.224 -4.951 -8.550 2 HA ASP 1 HA ASP 1 -22.216 -6.478 -7.305 3 1HB ASP 1 1HB ASP 1 -19.733 -4.781 -7.307 4 2HB ASP 1 2HB ASP 1 -19.921 -6.461 -7.765 5 H ARG 2 H ARG 2 -20.521 -6.844 -5.342 6 HA ARG 2 HA ARG 2 -21.075 -4.767 -3.377 7 1HB ARG 2 1HB ARG 2 -20.637 -7.620 -2.501 8 2HB ARG 2 2HB ARG 2 -21.612 -6.375 -1.748 9 1HG ARG 2 1HG ARG 2 -22.312 -7.730 -4.396 10 2HG ARG 2 2HG ARG 2 -22.964 -8.214 -2.843 11 1HD ARG 2 1HD ARG 2 -23.979 -5.969 -2.533 12 2HD ARG 2 2HD ARG 2 -23.262 -5.413 -4.032 13 HE ARG 2 HE ARG 2 -24.978 -6.477 -5.202 14 1HH1 ARG 2 1HH1 ARG 2 -24.749 -7.941 -1.983 15 2HH1 ARG 2 2HH1 ARG 2 -26.148 -8.939 -2.202 16 1HH2 ARG 2 1HH2 ARG 2 -27.352 -8.836 -4.272 17 H CYS 3 H CYS 3 -19.409 -4.607 -1.605 18 HA CYS 3 HA CYS 3 -17.344 -4.458 -0.880 19 1HB CYS 3 1HB CYS 3 -16.442 -6.435 -0.502 20 2HB CYS 3 2HB CYS 3 -17.594 -7.144 -1.615 21 H ARG 4 H ARG 4 -15.088 -3.823 -1.605 22 HA ARG 4 HA ARG 4 -15.163 -3.065 -4.416 23 1HB ARG 4 1HB ARG 4 -13.982 -1.584 -2.015 24 2HB ARG 4 2HB ARG 4 -13.666 -1.113 -3.673 25 1HG ARG 4 1HG ARG 4 -16.417 -1.303 -3.716 26 2HG ARG 4 2HG ARG 4 -16.155 -0.806 -2.056 27 1HD ARG 4 1HD ARG 4 -14.670 0.657 -4.249 28 2HD ARG 4 2HD ARG 4 -16.371 1.006 -4.015 29 HE ARG 4 HE ARG 4 -15.109 1.065 -1.456 30 1HH1 ARG 4 1HH1 ARG 4 -15.128 2.917 -4.477 31 2HH1 ARG 4 2HH1 ARG 4 -14.711 4.413 -3.706 32 1HH2 ARG 4 1HH2 ARG 4 -14.383 4.459 -1.333 33 H TYR 5 H TYR 5 -13.847 -4.641 -5.365 34 HA TYR 5 HA TYR 5 -11.828 -6.051 -4.240 35 1HB TYR 5 1HB TYR 5 -11.939 -4.778 -7.046 36 2HB TYR 5 2HB TYR 5 -11.071 -6.248 -6.646 37 HD1 TYR 5 1HD TYR 5 -14.194 -4.862 -7.732 38 HD2 TYR 5 2HD TYR 5 -12.444 -8.275 -5.838 39 HE1 TYR 5 1HE TYR 5 -16.253 -6.241 -8.299 40 HE2 TYR 5 2HE TYR 5 -14.509 -9.643 -6.411 41 HH TYR 5 HH TYR 5 -16.383 -9.695 -7.507 42 H THR 6 H THR 6 -9.991 -5.473 -3.202 43 HA THR 6 HA THR 6 -8.500 -3.188 -4.302 44 HB THR 6 HB THR 6 -8.734 -3.786 -1.323 45 HG1 THR 6 1HG THR 6 -10.629 -2.528 -1.395 46 1HG2 THR 6 1HG2 THR 6 -8.539 -1.152 -1.430 47 2HG2 THR 6 2HG2 THR 6 -7.066 -2.124 -1.668 48 3HG2 THR 6 3HG2 THR 6 -7.917 -1.437 -3.073 49 H LEU 7 H LEU 7 -6.166 -3.188 -3.521 50 HA LEU 7 HA LEU 7 -5.257 -5.979 -3.550 51 1HB LEU 7 1HB LEU 7 -4.296 -3.484 -4.855 52 2HB LEU 7 2HB LEU 7 -3.089 -4.641 -4.334 53 HG LEU 7 HG LEU 7 -4.703 -6.335 -5.640 54 1HD1 LEU 7 1HD1 LEU 7 -6.391 -4.763 -6.280 55 2HD1 LEU 7 2HD1 LEU 7 -5.178 -3.657 -6.968 56 3HD1 LEU 7 3HD1 LEU 7 -5.487 -5.230 -7.740 57 1HD2 LEU 7 1HD2 LEU 7 -2.970 -4.794 -7.478 58 2HD2 LEU 7 2HD2 LEU 7 -2.196 -5.390 -5.990 59 3HD2 LEU 7 3HD2 LEU 7 -2.995 -6.533 -7.096 60 H CYS 8 H CYS 8 -4.469 -6.725 -1.663 61 HA CYS 8 HA CYS 8 -3.303 -4.724 0.135 62 1HB CYS 8 1HB CYS 8 -4.629 -7.294 1.000 63 2HB CYS 8 2HB CYS 8 -4.071 -5.980 2.015 64 H CYS 9 H CYS 9 -1.492 -5.614 1.507 65 HA CYS 9 HA CYS 9 0.226 -7.194 -0.111 66 1HB CYS 9 1HB CYS 9 0.721 -6.407 2.756 67 2HB CYS 9 2HB CYS 9 1.898 -6.771 1.510 68 H ASP 10 H ASP 10 1.110 -9.311 0.481 69 HA ASP 10 HA ASP 10 -0.844 -10.852 1.935 70 1HB ASP 10 1HB ASP 10 1.408 -11.447 0.012 71 2HB ASP 10 2HB ASP 10 0.892 -12.726 1.093 72 H GLY 11 H GLY 11 1.043 -8.977 3.325 73 1HA GLY 11 1HA GLY 11 2.221 -8.982 5.247 74 2HA GLY 11 2HA GLY 11 1.962 -10.711 5.379 75 H ALA 12 H ALA 12 3.219 -10.132 2.290 76 HA ALA 12 HA ALA 12 5.993 -10.095 3.155 77 1HB ALA 12 1HB ALA 12 5.702 -12.179 1.195 78 2HB ALA 12 2HB ALA 12 6.331 -12.294 2.857 79 3HB ALA 12 3HB ALA 12 4.591 -12.510 2.546 80 H LEU 13 H LEU 13 4.608 -8.003 1.979 81 HA LEU 13 HA LEU 13 4.831 -6.564 0.315 82 1HB LEU 13 1HB LEU 13 7.021 -6.656 -0.103 83 2HB LEU 13 2HB LEU 13 7.055 -8.408 -0.160 84 HG LEU 13 HG LEU 13 5.895 -6.839 -2.452 85 1HD1 LEU 13 1HD1 LEU 13 7.880 -5.782 -2.622 86 2HD1 LEU 13 2HD1 LEU 13 8.739 -6.991 -1.637 87 3HD1 LEU 13 3HD1 LEU 13 8.392 -7.323 -3.351 88 1HD2 LEU 13 1HD2 LEU 13 5.533 -8.911 -3.174 89 2HD2 LEU 13 2HD2 LEU 13 7.294 -9.051 -3.388 90 3HD2 LEU 13 3HD2 LEU 13 6.532 -9.619 -1.883 91 H LYS 14 H LYS 14 4.823 -9.947 -1.009 92 HA LYS 14 HA LYS 14 3.602 -9.593 -3.353 93 1HB LYS 14 1HB LYS 14 4.305 -11.748 -2.144 94 2HB LYS 14 2HB LYS 14 2.698 -11.757 -1.448 95 1HG LYS 14 1HG LYS 14 2.435 -13.061 -3.403 96 2HG LYS 14 2HG LYS 14 1.830 -11.493 -3.895 97 1HD LYS 14 1HD LYS 14 4.765 -11.885 -4.282 98 2HD LYS 14 2HD LYS 14 3.746 -12.915 -5.269 99 1HE LYS 14 1HE LYS 14 2.490 -10.424 -5.492 100 2HE LYS 14 2HE LYS 14 4.188 -9.991 -5.437 101 1HZ LYS 14 1HZ LYS 14 4.339 -11.972 -7.165 102 2HZ LYS 14 2HZ LYS 14 2.784 -11.583 -7.453 103 H ALA 15 H ALA 15 2.056 -8.111 -3.838 104 HA ALA 15 HA ALA 15 -0.146 -7.769 -1.966 105 1HB ALA 15 1HB ALA 15 0.082 -5.636 -2.628 106 2HB ALA 15 2HB ALA 15 1.321 -6.115 -3.812 107 3HB ALA 15 3HB ALA 15 -0.397 -6.111 -4.275 108 H VAL 16 H VAL 16 -2.059 -8.803 -2.230 109 HA VAL 16 HA VAL 16 -2.651 -9.798 -4.932 110 HB VAL 16 HB VAL 16 -1.951 -11.547 -3.300 111 1HG1 VAL 16 1HG1 VAL 16 -2.680 -11.044 -1.190 112 2HG1 VAL 16 2HG1 VAL 16 -4.219 -10.357 -1.761 113 3HG1 VAL 16 3HG1 VAL 16 -4.003 -12.123 -1.692 114 1HG2 VAL 16 1HG2 VAL 16 -3.647 -13.115 -3.927 115 2HG2 VAL 16 2HG2 VAL 16 -4.855 -11.824 -4.127 116 3HG2 VAL 16 3HG2 VAL 16 -3.488 -11.947 -5.259 117 H SER 17 H SER 17 -4.817 -9.610 -5.643 118 HA SER 17 HA SER 17 -6.225 -7.531 -4.274 119 1HB SER 17 1HB SER 17 -7.864 -8.071 -6.323 120 2HB SER 17 2HB SER 17 -6.398 -7.137 -6.540 121 HG SER 17 HG SER 17 -5.894 -8.625 -7.994 122 H ALA 18 H ALA 18 -8.172 -7.754 -3.131 123 HA ALA 18 HA ALA 18 -9.436 -10.388 -3.168 124 1HB ALA 18 1HB ALA 18 -8.991 -8.971 -0.544 125 2HB ALA 18 2HB ALA 18 -9.282 -10.698 -0.862 126 3HB ALA 18 3HB ALA 18 -7.696 -9.979 -1.231 127 H CYS 19 H CYS 19 -11.680 -10.310 -2.303 128 HA CYS 19 HA CYS 19 -12.844 -7.742 -2.983 129 1HB CYS 19 1HB CYS 19 -13.797 -9.596 -4.131 130 2HB CYS 19 2HB CYS 19 -13.997 -10.511 -2.650 131 H LEU 20 H LEU 20 -12.141 -6.633 -0.999 132 HA LEU 20 HA LEU 20 -13.406 -7.656 1.437 133 1HB LEU 20 1HB LEU 20 -11.418 -7.253 2.300 134 2HB LEU 20 2HB LEU 20 -10.868 -6.454 0.841 135 HG LEU 20 HG LEU 20 -12.561 -5.010 2.879 136 1HD1 LEU 20 1HD1 LEU 20 -10.102 -4.088 3.457 137 2HD1 LEU 20 2HD1 LEU 20 -10.884 -5.423 4.336 138 3HD1 LEU 20 3HD1 LEU 20 -9.700 -5.775 3.055 139 1HD2 LEU 20 1HD2 LEU 20 -10.476 -3.721 1.169 140 2HD2 LEU 20 2HD2 LEU 20 -12.010 -4.222 0.418 141 3HD2 LEU 20 3HD2 LEU 20 -12.019 -3.078 1.782 142 H HIS 21 H HIS 21 -14.501 -6.065 2.862 143 HA HIS 21 HA HIS 21 -15.841 -4.067 1.198 144 1HB HIS 21 1HB HIS 21 -16.779 -5.388 3.761 145 2HB HIS 21 2HB HIS 21 -17.684 -4.220 2.817 146 HD1 HIS 21 1HD HIS 21 -16.723 -7.833 2.931 147 HD2 HIS 21 2HD HIS 21 -18.731 -5.215 0.341 148 HE1 HIS 21 1HE HIS 21 -17.935 -9.300 1.231 149 H GLU 22 H GLU 22 -16.833 -2.265 2.907 150 HA GLU 22 HA GLU 22 -14.523 -0.879 3.695 151 1HB GLU 22 1HB GLU 22 -17.317 -0.320 3.286 152 2HB GLU 22 2HB GLU 22 -16.886 0.276 4.875 153 1HG GLU 22 1HG GLU 22 -14.906 1.470 3.850 154 2HG GLU 22 2HG GLU 22 -15.435 0.934 2.268 155 H SER 23 H SER 23 -16.758 -3.085 5.293 156 HA SER 23 HA SER 23 -16.088 -2.197 7.907 157 1HB SER 23 1HB SER 23 -18.002 -3.980 6.686 158 2HB SER 23 2HB SER 23 -17.155 -4.867 7.936 159 HG SER 23 HG SER 23 -17.864 -3.450 9.501 160 H GLU 24 H GLU 24 -14.250 -3.639 5.588 161 HA GLU 24 HA GLU 24 -12.805 -5.189 7.590 162 1HB GLU 24 1HB GLU 24 -14.043 -6.512 5.705 163 2HB GLU 24 2HB GLU 24 -12.793 -5.901 4.639 164 1HG GLU 24 1HG GLU 24 -12.086 -8.082 5.461 165 2HG GLU 24 2HG GLU 24 -11.044 -6.867 6.176 166 H SER 25 H SER 25 -10.417 -5.305 7.199 167 HA SER 25 HA SER 25 -9.427 -3.355 5.332 168 1HB SER 25 1HB SER 25 -8.058 -2.203 7.069 169 2HB SER 25 2HB SER 25 -9.777 -1.979 7.320 170 HG SER 25 HG SER 25 -7.900 -3.474 8.848 171 H CYS 26 H CYS 26 -7.163 -3.708 4.805 172 HA CYS 26 HA CYS 26 -5.970 -6.030 6.109 173 1HB CYS 26 1HB CYS 26 -5.129 -6.488 3.616 174 2HB CYS 26 2HB CYS 26 -6.553 -7.236 4.310 175 H LEU 27 H LEU 27 -3.526 -6.155 5.230 176 HA LEU 27 HA LEU 27 -2.355 -3.677 5.893 177 1HB LEU 27 1HB LEU 27 -1.545 -6.152 6.162 178 2HB LEU 27 2HB LEU 27 -0.874 -5.913 4.561 179 HG LEU 27 HG LEU 27 0.750 -5.530 6.391 180 1HD1 LEU 27 1HD1 LEU 27 1.421 -4.504 4.433 181 2HD1 LEU 27 2HD1 LEU 27 0.064 -3.353 4.440 182 3HD1 LEU 27 3HD1 LEU 27 1.415 -3.143 5.580 183 1HD2 LEU 27 1HD2 LEU 27 -1.131 -4.448 7.858 184 2HD2 LEU 27 2HD2 LEU 27 0.558 -3.909 8.012 185 3HD2 LEU 27 3HD2 LEU 27 -0.602 -2.942 7.070 186 H VAL 28 H VAL 28 -2.991 -2.028 4.490 187 HA VAL 28 HA VAL 28 -2.746 -2.438 1.653 188 HB VAL 28 HB VAL 28 -3.481 -0.076 3.388 189 1HG1 VAL 28 1HG1 VAL 28 -3.895 -0.138 0.406 190 2HG1 VAL 28 2HG1 VAL 28 -3.859 1.253 1.517 191 3HG1 VAL 28 3HG1 VAL 28 -2.347 0.416 1.090 192 1HG2 VAL 28 1HG2 VAL 28 -5.073 -2.031 1.710 193 2HG2 VAL 28 2HG2 VAL 28 -5.207 -1.706 3.455 194 3HG2 VAL 28 3HG2 VAL 28 -5.737 -0.480 2.277 195 HA PRO 29 HA PRO 29 1.332 -1.022 1.383 196 1HB PRO 29 1HB PRO 29 1.469 -0.445 -1.285 197 2HB PRO 29 2HB PRO 29 1.630 -2.069 -0.646 198 1HG PRO 29 1HG PRO 29 -0.672 -0.847 -2.041 199 2HG PRO 29 2HG PRO 29 -0.323 -2.544 -1.780 200 1HD PRO 29 1HD PRO 29 -2.239 -0.948 -0.364 201 2HD PRO 29 2HD PRO 29 -1.807 -2.612 -0.026 202 H GLY 30 H GLY 30 2.591 0.875 -0.061 203 1HA GLY 30 1HA GLY 30 1.052 3.332 0.324 204 2HA GLY 30 2HA GLY 30 2.496 3.127 1.294 205 H ASP 31 H ASP 31 1.926 5.119 -0.860 206 HA ASP 31 HA ASP 31 3.978 4.275 -2.751 207 1HB ASP 31 1HB ASP 31 2.046 6.585 -3.164 208 2HB ASP 31 2HB ASP 31 2.977 5.732 -4.379 209 H CYS 32 H CYS 32 5.907 5.134 -1.892 210 HA CYS 32 HA CYS 32 5.812 7.720 -0.609 211 1HB CYS 32 1HB CYS 32 8.318 6.129 -1.042 212 2HB CYS 32 2HB CYS 32 7.931 7.264 0.235 213 H CYS 33 H CYS 33 6.203 9.587 -1.751 214 HA CYS 33 HA CYS 33 7.694 9.289 -4.257 215 1HB CYS 33 1HB CYS 33 6.315 10.778 -5.355 216 2HB CYS 33 2HB CYS 33 5.193 9.807 -4.423 217 H ARG 34 H ARG 34 9.185 11.051 -4.739 218 HA ARG 34 HA ARG 34 9.425 13.137 -2.822 219 1HB ARG 34 1HB ARG 34 10.729 11.572 -1.560 220 2HB ARG 34 2HB ARG 34 11.462 10.885 -2.996 221 1HG ARG 34 1HG ARG 34 11.998 13.777 -2.752 222 2HG ARG 34 2HG ARG 34 12.574 12.880 -1.360 223 1HD ARG 34 1HD ARG 34 14.424 12.533 -2.687 224 2HD ARG 34 2HD ARG 34 13.461 11.220 -3.337 225 HE ARG 34 HE ARG 34 12.913 13.743 -4.690 226 1HH1 ARG 34 1HH1 ARG 34 15.153 10.999 -4.581 227 2HH1 ARG 34 2HH1 ARG 34 15.670 11.198 -6.223 228 1HH2 ARG 34 1HH2 ARG 34 14.741 12.971 -7.540 229 H GLY 35 H GLY 35 9.934 14.937 -4.033 230 1HA GLY 35 1HA GLY 35 10.875 16.236 -5.615 231 2HA GLY 35 2HA GLY 35 12.038 14.965 -5.935 232 H LYS 36 H LYS 36 11.549 13.286 -7.506 233 HA LYS 36 HA LYS 36 9.100 13.637 -9.025 234 1HB LYS 36 1HB LYS 36 10.145 14.028 -11.112 235 2HB LYS 36 2HB LYS 36 10.822 15.200 -9.999 236 1HG LYS 36 1HG LYS 36 12.924 14.334 -10.188 237 2HG LYS 36 2HG LYS 36 12.359 12.687 -9.997 238 1HD LYS 36 1HD LYS 36 12.687 12.354 -12.213 239 2HD LYS 36 2HD LYS 36 11.408 13.503 -12.548 240 1HE LYS 36 1HE LYS 36 13.277 15.332 -12.168 241 2HE LYS 36 2HE LYS 36 14.399 14.006 -12.399 242 1HZ LYS 36 1HZ LYS 36 13.085 15.421 -14.390 243 2HZ LYS 36 2HZ LYS 36 14.024 14.106 -14.598 244 H SER 37 H SER 37 10.330 11.658 -7.123 245 HA SER 37 HA SER 37 10.263 9.427 -8.992 246 1HB SER 37 1HB SER 37 12.586 9.636 -8.358 247 2HB SER 37 2HB SER 37 12.179 9.858 -6.669 248 HG SER 37 HG SER 37 12.325 7.485 -8.197 249 H ARG 38 H ARG 38 8.598 8.045 -8.491 250 HA ARG 38 HA ARG 38 7.749 8.048 -5.706 251 1HB ARG 38 1HB ARG 38 5.418 7.580 -6.583 252 2HB ARG 38 2HB ARG 38 6.027 9.160 -7.034 253 1HG ARG 38 1HG ARG 38 6.398 8.528 -9.285 254 2HG ARG 38 2HG ARG 38 6.490 6.821 -8.901 255 1HD ARG 38 1HD ARG 38 3.905 8.380 -8.496 256 2HD ARG 38 2HD ARG 38 4.318 7.708 -10.062 257 HE ARG 38 HE ARG 38 4.587 5.731 -7.941 258 1HH1 ARG 38 1HH1 ARG 38 2.228 7.314 -10.060 259 2HH1 ARG 38 2HH1 ARG 38 1.095 6.008 -9.981 260 1HH2 ARG 38 1HH2 ARG 38 1.622 4.073 -8.669 261 H LEU 39 H LEU 39 6.998 5.969 -4.860 262 HA LEU 39 HA LEU 39 7.197 3.678 -6.604 263 1HB LEU 39 1HB LEU 39 9.448 3.683 -6.129 264 2HB LEU 39 2HB LEU 39 9.229 4.330 -4.515 265 HG LEU 39 HG LEU 39 8.225 2.109 -3.849 266 1HD1 LEU 39 1HD1 LEU 39 8.128 1.629 -6.558 267 2HD1 LEU 39 2HD1 LEU 39 9.528 0.663 -6.036 268 3HD1 LEU 39 3HD1 LEU 39 7.940 0.412 -5.272 269 1HD2 LEU 39 1HD2 LEU 39 10.908 2.920 -4.101 270 2HD2 LEU 39 2HD2 LEU 39 10.234 1.691 -3.006 271 3HD2 LEU 39 3HD2 LEU 39 10.859 1.213 -4.603 272 H THR 40 H THR 40 5.747 2.117 -5.997 273 HA THR 40 HA THR 40 4.483 2.515 -3.364 274 HB THR 40 HB THR 40 3.195 1.343 -5.874 275 HG1 THR 40 1HG THR 40 3.005 3.463 -6.499 276 1HG2 THR 40 1HG2 THR 40 2.192 2.563 -3.257 277 2HG2 THR 40 2HG2 THR 40 1.149 2.393 -4.689 278 3HG2 THR 40 3HG2 THR 40 1.831 0.946 -3.909 279 H LEU 41 H LEU 41 5.095 1.020 -1.939 280 HA LEU 41 HA LEU 41 4.935 -1.744 -2.741 281 1HB LEU 41 1HB LEU 41 7.095 -2.346 -2.598 282 2HB LEU 41 2HB LEU 41 7.318 -0.714 -3.196 283 HG LEU 41 HG LEU 41 7.332 -0.331 -0.465 284 1HD1 LEU 41 1HD1 LEU 41 7.355 -2.904 -0.330 285 2HD1 LEU 41 2HD1 LEU 41 9.042 -2.776 -0.885 286 3HD1 LEU 41 3HD1 LEU 41 8.542 -1.993 0.634 287 1HD2 LEU 41 1HD2 LEU 41 8.855 0.801 -1.865 288 2HD2 LEU 41 2HD2 LEU 41 9.851 -0.197 -0.779 289 3HD2 LEU 41 3HD2 LEU 41 9.570 -0.718 -2.457 290 H CYS 42 H CYS 42 5.467 -3.156 -0.678 291 HA CYS 42 HA CYS 42 3.985 -1.876 1.463 292 1HB CYS 42 1HB CYS 42 4.790 -4.778 1.210 293 2HB CYS 42 2HB CYS 42 3.635 -4.092 2.336 294 H SER 43 H SER 43 5.034 -1.132 3.283 295 HA SER 43 HA SER 43 7.359 -2.467 4.210 296 1HB SER 43 1HB SER 43 8.162 -0.841 2.362 297 2HB SER 43 2HB SER 43 7.708 0.457 3.447 298 HG SER 43 HG SER 43 9.212 -0.320 5.008 299 H TYR 44 H TYR 44 6.774 -2.611 6.348 300 HA TYR 44 HA TYR 44 5.285 -0.394 7.517 301 1HB TYR 44 1HB TYR 44 6.120 -2.956 8.926 302 2HB TYR 44 2HB TYR 44 4.594 -2.104 9.051 303 HD1 TYR 44 1HD TYR 44 5.106 -5.131 8.613 304 HD2 TYR 44 2HD TYR 44 4.220 -1.915 5.935 305 HE1 TYR 44 1HE TYR 44 4.052 -6.772 6.981 306 HE2 TYR 44 2HE TYR 44 3.170 -3.566 4.311 307 HH TYR 44 HH TYR 44 3.577 -6.929 4.647 308 H GLY 45 H GLY 45 5.855 0.219 9.830 309 1HA GLY 45 1HA GLY 45 8.029 -0.197 11.268 310 2HA GLY 45 2HA GLY 45 8.730 0.719 9.949 311 H GLU 46 H GLU 46 8.959 1.877 12.387 312 HA GLU 46 HA GLU 46 8.596 3.711 13.491 313 1HB GLU 46 1HB GLU 46 7.767 4.360 10.799 314 2HB GLU 46 2HB GLU 46 6.718 5.206 11.919 315 1HG GLU 46 1HG GLU 46 9.758 5.332 11.771 316 2HG GLU 46 2HG GLU 46 8.621 6.642 11.516 317 H GLY 47 H GLY 47 6.431 1.356 13.157 318 1HA GLY 47 1HA GLY 47 4.323 0.910 13.895 319 2HA GLY 47 2HA GLY 47 4.961 1.647 15.351 320 H GLY 48 H GLY 48 4.126 3.124 12.142 321 1HA GLY 48 1HA GLY 48 2.343 4.980 13.592 322 2HA GLY 48 2HA GLY 48 3.213 5.339 12.114 323 H ASN 49 H ASN 49 2.212 5.006 10.151 324 HA ASN 49 HA ASN 49 -0.461 3.968 10.297 325 1HB ASN 49 1HB ASN 49 1.177 5.511 8.269 326 2HB ASN 49 2HB ASN 49 -0.220 4.625 7.691 327 1HD2 ASN 49 1HD2 ASN 49 0.851 6.954 10.135 328 2HD2 ASN 49 2HD2 ASN 49 -0.625 7.852 10.258 329 H GLY 50 H GLY 50 1.403 1.927 10.786 330 1HA GLY 50 1HA GLY 50 2.223 -0.045 10.064 331 2HA GLY 50 2HA GLY 50 0.770 -0.099 9.086 332 H PHE 51 H PHE 51 3.059 2.538 8.544 333 HA PHE 51 HA PHE 51 4.214 1.087 6.287 334 1HB PHE 51 1HB PHE 51 2.138 2.596 5.747 335 2HB PHE 51 2HB PHE 51 3.130 3.960 6.224 336 HD1 PHE 51 1HD PHE 51 3.336 5.125 4.199 337 HD2 PHE 51 2HD PHE 51 4.226 0.977 4.307 338 HE1 PHE 51 1HE PHE 51 4.265 5.264 1.873 339 HE2 PHE 51 2HE PHE 51 5.154 1.116 1.979 340 HZ PHE 51 HZ PHE 51 5.163 3.258 0.789 341 H GLN 52 H GLN 52 6.261 1.973 5.534 342 HA GLN 52 HA GLN 52 7.351 4.111 7.116 343 1HB GLN 52 1HB GLN 52 7.853 2.063 8.446 344 2HB GLN 52 2HB GLN 52 8.647 1.349 7.056 345 1HG GLN 52 1HG GLN 52 10.505 2.262 8.105 346 2HG GLN 52 2HG GLN 52 10.060 3.627 7.100 347 1HE2 GLN 52 1HE2 GLN 52 8.711 5.296 8.013 348 2HE2 GLN 52 2HE2 GLN 52 8.805 5.677 9.699 349 H CYS 53 H CYS 53 7.476 5.321 5.172 350 HA CYS 53 HA CYS 53 8.420 4.305 2.773 351 1HB CYS 53 1HB CYS 53 8.258 7.098 3.891 352 2HB CYS 53 2HB CYS 53 8.913 6.782 2.296 353 HA PRO 54 HA PRO 54 12.711 4.184 3.530 354 1HB PRO 54 1HB PRO 54 13.691 4.228 0.979 355 2HB PRO 54 2HB PRO 54 13.064 2.779 1.740 356 1HG PRO 54 1HG PRO 54 11.809 4.479 -0.328 357 2HG PRO 54 2HG PRO 54 11.412 2.834 0.131 358 1HD PRO 54 1HD PRO 54 9.968 5.210 0.839 359 2HD PRO 54 2HD PRO 54 9.639 3.579 1.392 360 H THR 55 H THR 55 14.865 5.269 3.189 361 HA THR 55 HA THR 55 14.476 8.012 3.694 362 HB THR 55 HB THR 55 16.378 6.389 4.425 363 HG1 THR 55 1HG THR 55 17.028 8.921 3.091 364 1HG2 THR 55 1HG2 THR 55 16.979 5.697 2.031 365 2HG2 THR 55 2HG2 THR 55 17.536 7.366 1.764 366 3HG2 THR 55 3HG2 THR 55 18.344 6.340 2.974 367 H GLY 56 H GLY 56 14.389 9.786 2.438 368 1HA GLY 56 1HA GLY 56 14.884 11.057 0.568 369 2HA GLY 56 2HA GLY 56 15.355 9.617 -0.313 370 H TYR 57 H TYR 57 12.539 8.740 1.262 371 HA TYR 57 HA TYR 57 10.862 9.710 -0.953 372 1HB TYR 57 1HB TYR 57 11.237 7.002 0.438 373 2HB TYR 57 2HB TYR 57 9.737 7.348 -0.397 374 HD1 TYR 57 1HD TYR 57 9.914 8.044 -2.902 375 HD2 TYR 57 2HD TYR 57 13.070 6.130 -0.740 376 HE1 TYR 57 1HE TYR 57 10.966 7.293 -5.091 377 HE2 TYR 57 2HE TYR 57 14.112 5.385 -2.937 378 HH TYR 57 HH TYR 57 13.661 5.072 -5.126 379 H ARG 58 H ARG 58 8.666 10.177 -0.453 380 HA ARG 58 HA ARG 58 7.918 9.865 2.310 381 1HB ARG 58 1HB ARG 58 7.115 12.298 2.357 382 2HB ARG 58 2HB ARG 58 8.855 12.092 2.395 383 1HG ARG 58 1HG ARG 58 8.937 12.460 -0.091 384 2HG ARG 58 2HG ARG 58 7.202 12.707 -0.102 385 1HD ARG 58 1HD ARG 58 7.987 14.919 0.032 386 2HD ARG 58 2HD ARG 58 7.690 14.556 1.721 387 HE ARG 58 HE ARG 58 10.407 13.885 0.830 388 1HH1 ARG 58 1HH1 ARG 58 8.333 16.417 2.187 389 2HH1 ARG 58 2HH1 ARG 58 9.654 17.302 2.876 390 1HH2 ARG 58 1HH2 ARG 58 11.888 16.481 2.598 391 H GLN 59 H GLN 59 5.744 9.300 2.456 392 HA GLN 59 HA GLN 59 4.297 8.472 0.423 393 1HB GLN 59 1HB GLN 59 2.243 8.933 1.836 394 2HB GLN 59 2HB GLN 59 3.542 8.114 2.682 395 1HG GLN 59 1HG GLN 59 4.050 9.964 4.003 396 2HG GLN 59 2HG GLN 59 3.572 11.117 2.772 397 1HE2 GLN 59 1HE2 GLN 59 2.182 8.512 4.765 398 2HE2 GLN 59 2HE2 GLN 59 0.697 9.310 5.166 399 H CYS 60 H CYS 60 3.090 9.265 -1.287 400 HA CYS 60 HA CYS 60 3.315 12.069 -1.793 401 1HB CYS 60 1HB CYS 60 3.156 9.791 -3.359 402 2HB CYS 60 2HB CYS 60 1.591 10.542 -3.593 Start of MODEL 23 1 1H ASP 1 1H ASP 1 -25.122 -6.466 -4.857 2 HA ASP 1 HA ASP 1 -23.452 -5.418 -6.630 3 1HB ASP 1 1HB ASP 1 -22.467 -4.195 -4.070 4 2HB ASP 1 2HB ASP 1 -22.186 -3.682 -5.721 5 H ARG 2 H ARG 2 -20.941 -5.811 -5.808 6 HA ARG 2 HA ARG 2 -21.043 -8.000 -3.896 7 1HB ARG 2 1HB ARG 2 -19.239 -7.990 -6.359 8 2HB ARG 2 2HB ARG 2 -19.547 -9.332 -5.275 9 1HG ARG 2 1HG ARG 2 -22.072 -8.332 -6.339 10 2HG ARG 2 2HG ARG 2 -20.967 -8.662 -7.658 11 1HD ARG 2 1HD ARG 2 -21.487 -10.660 -5.408 12 2HD ARG 2 2HD ARG 2 -22.421 -10.641 -6.891 13 HE ARG 2 HE ARG 2 -19.736 -10.669 -7.716 14 1HH1 ARG 2 1HH1 ARG 2 -21.838 -12.777 -5.793 15 2HH1 ARG 2 2HH1 ARG 2 -20.982 -14.222 -6.212 16 1HH2 ARG 2 1HH2 ARG 2 -19.084 -14.081 -7.669 17 H CYS 3 H CYS 3 -18.735 -8.523 -3.028 18 HA CYS 3 HA CYS 3 -17.662 -6.450 -1.743 19 1HB CYS 3 1HB CYS 3 -15.987 -7.833 -1.092 20 2HB CYS 3 2HB CYS 3 -17.120 -9.013 -1.720 21 H ARG 4 H ARG 4 -15.590 -5.201 -2.074 22 HA ARG 4 HA ARG 4 -15.337 -4.561 -4.896 23 1HB ARG 4 1HB ARG 4 -14.675 -2.918 -2.399 24 2HB ARG 4 2HB ARG 4 -14.354 -2.374 -4.034 25 1HG ARG 4 1HG ARG 4 -17.100 -3.282 -3.905 26 2HG ARG 4 2HG ARG 4 -16.816 -2.199 -2.557 27 1HD ARG 4 1HD ARG 4 -15.765 -0.556 -4.234 28 2HD ARG 4 2HD ARG 4 -16.340 -1.606 -5.514 29 HE ARG 4 HE ARG 4 -18.561 -1.107 -3.829 30 1HH1 ARG 4 1HH1 ARG 4 -16.408 0.756 -5.939 31 2HH1 ARG 4 2HH1 ARG 4 -17.601 1.958 -6.302 32 1HH2 ARG 4 1HH2 ARG 4 -19.786 1.775 -5.333 33 H TYR 5 H TYR 5 -13.756 -6.174 -5.449 34 HA TYR 5 HA TYR 5 -11.574 -6.927 -4.001 35 1HB TYR 5 1HB TYR 5 -12.188 -6.468 -6.969 36 2HB TYR 5 2HB TYR 5 -10.630 -7.121 -6.504 37 HD1 TYR 5 1HD TYR 5 -10.461 -9.371 -5.485 38 HD2 TYR 5 2HD TYR 5 -14.209 -7.805 -6.832 39 HE1 TYR 5 1HE TYR 5 -11.468 -11.705 -5.420 40 HE2 TYR 5 2HE TYR 5 -15.202 -10.144 -6.763 41 HH TYR 5 HH TYR 5 -14.536 -12.383 -6.819 42 H THR 6 H THR 6 -9.954 -5.773 -3.088 43 HA THR 6 HA THR 6 -8.940 -3.469 -4.619 44 HB THR 6 HB THR 6 -8.846 -3.640 -1.592 45 HG1 THR 6 1HG THR 6 -11.047 -3.344 -1.599 46 1HG2 THR 6 1HG2 THR 6 -9.615 -1.101 -2.291 47 2HG2 THR 6 2HG2 THR 6 -7.909 -1.586 -2.135 48 3HG2 THR 6 3HG2 THR 6 -8.680 -1.551 -3.738 49 H LEU 7 H LEU 7 -6.639 -2.908 -4.107 50 HA LEU 7 HA LEU 7 -5.148 -5.406 -4.027 51 1HB LEU 7 1HB LEU 7 -4.236 -2.619 -4.751 52 2HB LEU 7 2HB LEU 7 -3.323 -4.103 -4.946 53 HG LEU 7 HG LEU 7 -5.975 -3.936 -6.307 54 1HD1 LEU 7 1HD1 LEU 7 -4.230 -2.916 -8.207 55 2HD1 LEU 7 2HD1 LEU 7 -5.513 -2.026 -7.352 56 3HD1 LEU 7 3HD1 LEU 7 -3.844 -1.996 -6.734 57 1HD2 LEU 7 1HD2 LEU 7 -4.372 -5.934 -6.302 58 2HD2 LEU 7 2HD2 LEU 7 -5.016 -5.393 -7.871 59 3HD2 LEU 7 3HD2 LEU 7 -3.355 -4.963 -7.394 60 H CYS 8 H CYS 8 -4.818 -6.064 -1.941 61 HA CYS 8 HA CYS 8 -3.840 -4.005 -0.103 62 1HB CYS 8 1HB CYS 8 -5.189 -6.644 0.510 63 2HB CYS 8 2HB CYS 8 -4.540 -5.540 1.707 64 H CYS 9 H CYS 9 -2.175 -4.935 1.532 65 HA CYS 9 HA CYS 9 -0.245 -6.436 -0.007 66 1HB CYS 9 1HB CYS 9 0.044 -5.128 2.704 67 2HB CYS 9 2HB CYS 9 1.336 -5.815 1.738 68 H ASP 10 H ASP 10 0.870 -8.335 1.007 69 HA ASP 10 HA ASP 10 -1.077 -9.925 2.385 70 1HB ASP 10 1HB ASP 10 1.579 -10.417 1.025 71 2HB ASP 10 2HB ASP 10 0.989 -11.615 2.160 72 H GLY 11 H GLY 11 1.523 -7.810 3.119 73 1HA GLY 11 1HA GLY 11 2.124 -7.237 5.294 74 2HA GLY 11 2HA GLY 11 1.662 -8.829 5.862 75 H ALA 12 H ALA 12 3.043 -10.346 3.734 76 HA ALA 12 HA ALA 12 5.814 -9.574 3.942 77 1HB ALA 12 1HB ALA 12 4.698 -11.231 5.931 78 2HB ALA 12 2HB ALA 12 5.561 -12.334 4.832 79 3HB ALA 12 3HB ALA 12 6.426 -10.976 5.591 80 H LEU 13 H LEU 13 4.928 -9.401 1.602 81 HA LEU 13 HA LEU 13 6.014 -11.464 0.112 82 1HB LEU 13 1HB LEU 13 4.219 -12.868 0.798 83 2HB LEU 13 2HB LEU 13 3.024 -11.636 0.447 84 HG LEU 13 HG LEU 13 4.309 -12.014 -1.997 85 1HD1 LEU 13 1HD1 LEU 13 4.974 -14.123 -2.293 86 2HD1 LEU 13 2HD1 LEU 13 5.025 -14.223 -0.516 87 3HD1 LEU 13 3HD1 LEU 13 3.585 -14.786 -1.398 88 1HD2 LEU 13 1HD2 LEU 13 1.691 -12.926 -0.828 89 2HD2 LEU 13 2HD2 LEU 13 2.018 -11.627 -2.000 90 3HD2 LEU 13 3HD2 LEU 13 2.139 -13.330 -2.503 91 H LYS 14 H LYS 14 2.895 -10.159 -0.945 92 HA LYS 14 HA LYS 14 4.100 -7.779 -2.025 93 1HB LYS 14 1HB LYS 14 3.582 -10.193 -3.697 94 2HB LYS 14 2HB LYS 14 3.112 -8.644 -4.368 95 1HG LYS 14 1HG LYS 14 5.276 -8.255 -4.915 96 2HG LYS 14 2HG LYS 14 5.681 -8.220 -3.211 97 1HD LYS 14 1HD LYS 14 5.520 -10.935 -3.614 98 2HD LYS 14 2HD LYS 14 6.046 -10.417 -5.204 99 1HE LYS 14 1HE LYS 14 7.526 -9.058 -3.035 100 2HE LYS 14 2HE LYS 14 7.697 -10.801 -2.969 101 1HZ LYS 14 1HZ LYS 14 9.307 -9.536 -4.469 102 2HZ LYS 14 2HZ LYS 14 8.593 -10.836 -5.141 103 H ALA 15 H ALA 15 2.208 -6.840 -3.675 104 HA ALA 15 HA ALA 15 -0.131 -6.801 -1.934 105 1HB ALA 15 1HB ALA 15 0.069 -4.598 -2.332 106 2HB ALA 15 2HB ALA 15 1.336 -4.887 -3.547 107 3HB ALA 15 3HB ALA 15 -0.377 -4.913 -4.025 108 H VAL 16 H VAL 16 -1.839 -8.073 -2.428 109 HA VAL 16 HA VAL 16 -2.210 -8.730 -5.270 110 HB VAL 16 HB VAL 16 -1.484 -10.523 -3.505 111 1HG1 VAL 16 1HG1 VAL 16 -4.404 -10.975 -3.121 112 2HG1 VAL 16 2HG1 VAL 16 -3.030 -11.372 -2.062 113 3HG1 VAL 16 3HG1 VAL 16 -3.644 -9.702 -2.135 114 1HG2 VAL 16 1HG2 VAL 16 -2.439 -10.692 -5.972 115 2HG2 VAL 16 2HG2 VAL 16 -2.242 -12.139 -4.955 116 3HG2 VAL 16 3HG2 VAL 16 -3.846 -11.388 -5.133 117 H SER 17 H SER 17 -4.697 -9.609 -5.453 118 HA SER 17 HA SER 17 -6.208 -7.325 -4.522 119 1HB SER 17 1HB SER 17 -7.807 -8.991 -6.201 120 2HB SER 17 2HB SER 17 -7.112 -7.429 -6.587 121 HG SER 17 HG SER 17 -6.087 -10.050 -7.131 122 H ALA 18 H ALA 18 -7.438 -7.543 -2.693 123 HA ALA 18 HA ALA 18 -8.268 -10.263 -1.965 124 1HB ALA 18 1HB ALA 18 -8.618 -8.268 0.111 125 2HB ALA 18 2HB ALA 18 -7.599 -9.727 0.113 126 3HB ALA 18 3HB ALA 18 -6.960 -8.198 -0.535 127 H CYS 19 H CYS 19 -10.461 -10.602 -1.218 128 HA CYS 19 HA CYS 19 -12.280 -8.708 -2.476 129 1HB CYS 19 1HB CYS 19 -12.500 -10.979 -3.235 130 2HB CYS 19 2HB CYS 19 -12.634 -11.576 -1.593 131 H LEU 20 H LEU 20 -12.153 -7.089 -0.762 132 HA LEU 20 HA LEU 20 -13.425 -7.989 1.731 133 1HB LEU 20 1HB LEU 20 -10.969 -6.560 1.261 134 2HB LEU 20 2HB LEU 20 -12.079 -5.552 2.170 135 HG LEU 20 HG LEU 20 -12.370 -7.606 3.719 136 1HD1 LEU 20 1HD1 LEU 20 -10.894 -9.348 3.662 137 2HD1 LEU 20 2HD1 LEU 20 -11.012 -8.995 1.922 138 3HD1 LEU 20 3HD1 LEU 20 -9.622 -8.398 2.859 139 1HD2 LEU 20 1HD2 LEU 20 -9.699 -6.177 3.704 140 2HD2 LEU 20 2HD2 LEU 20 -11.226 -5.478 4.294 141 3HD2 LEU 20 3HD2 LEU 20 -10.530 -6.902 5.102 142 H HIS 21 H HIS 21 -14.827 -6.332 2.784 143 HA HIS 21 HA HIS 21 -16.280 -4.922 0.699 144 1HB HIS 21 1HB HIS 21 -17.122 -5.353 3.571 145 2HB HIS 21 2HB HIS 21 -18.129 -4.893 2.213 146 HD1 HIS 21 1HD HIS 21 -17.887 -6.903 0.131 147 HD2 HIS 21 2HD HIS 21 -17.474 -7.982 4.165 148 HE1 HIS 21 1HE HIS 21 -18.334 -9.412 0.250 149 H GLU 22 H GLU 22 -17.391 -2.772 1.678 150 HA GLU 22 HA GLU 22 -15.253 -1.014 2.017 151 1HB GLU 22 1HB GLU 22 -18.114 -0.876 1.574 152 2HB GLU 22 2HB GLU 22 -17.679 0.265 2.832 153 1HG GLU 22 1HG GLU 22 -16.488 1.606 1.393 154 2HG GLU 22 2HG GLU 22 -15.794 0.245 0.534 155 H SER 23 H SER 23 -17.405 -2.728 4.262 156 HA SER 23 HA SER 23 -16.720 -1.060 6.459 157 1HB SER 23 1HB SER 23 -18.626 -3.144 5.884 158 2HB SER 23 2HB SER 23 -17.739 -3.614 7.320 159 HG SER 23 HG SER 23 -18.194 -1.205 7.953 160 H GLU 24 H GLU 24 -14.858 -3.078 4.674 161 HA GLU 24 HA GLU 24 -13.413 -3.997 7.036 162 1HB GLU 24 1HB GLU 24 -14.569 -5.758 5.439 163 2HB GLU 24 2HB GLU 24 -13.220 -5.421 4.371 164 1HG GLU 24 1HG GLU 24 -12.491 -7.268 5.695 165 2HG GLU 24 2HG GLU 24 -11.672 -5.880 6.384 166 H SER 25 H SER 25 -11.021 -4.085 6.781 167 HA SER 25 HA SER 25 -10.026 -2.614 4.509 168 1HB SER 25 1HB SER 25 -10.512 -1.298 6.941 169 2HB SER 25 2HB SER 25 -8.798 -1.655 7.006 170 HG SER 25 HG SER 25 -8.440 -0.485 5.112 171 H CYS 26 H CYS 26 -7.817 -3.121 4.029 172 HA CYS 26 HA CYS 26 -6.652 -5.129 5.819 173 1HB CYS 26 1HB CYS 26 -5.571 -5.749 3.400 174 2HB CYS 26 2HB CYS 26 -6.918 -6.577 4.155 175 H LEU 27 H LEU 27 -4.141 -5.280 5.313 176 HA LEU 27 HA LEU 27 -3.063 -2.735 5.775 177 1HB LEU 27 1HB LEU 27 -2.233 -5.067 6.459 178 2HB LEU 27 2HB LEU 27 -1.515 -5.148 4.862 179 HG LEU 27 HG LEU 27 0.137 -4.463 6.488 180 1HD1 LEU 27 1HD1 LEU 27 1.142 -2.985 5.126 181 2HD1 LEU 27 2HD1 LEU 27 -0.274 -3.268 4.085 182 3HD1 LEU 27 3HD1 LEU 27 -0.231 -1.851 5.162 183 1HD2 LEU 27 1HD2 LEU 27 -0.648 -1.833 7.201 184 2HD2 LEU 27 2HD2 LEU 27 -2.012 -2.915 7.573 185 3HD2 LEU 27 3HD2 LEU 27 -0.402 -3.245 8.258 186 H VAL 28 H VAL 28 -3.559 -1.243 4.160 187 HA VAL 28 HA VAL 28 -3.086 -1.921 1.413 188 HB VAL 28 HB VAL 28 -4.422 0.123 2.955 189 1HG1 VAL 28 1HG1 VAL 28 -2.523 1.047 0.791 190 2HG1 VAL 28 2HG1 VAL 28 -4.002 1.952 1.197 191 3HG1 VAL 28 3HG1 VAL 28 -2.747 1.695 2.434 192 1HG2 VAL 28 1HG2 VAL 28 -5.524 -1.348 1.343 193 2HG2 VAL 28 2HG2 VAL 28 -5.730 0.357 0.876 194 3HG2 VAL 28 3HG2 VAL 28 -4.547 -0.661 0.022 195 HA PRO 29 HA PRO 29 1.019 -0.582 1.232 196 1HB PRO 29 1HB PRO 29 1.271 0.027 -1.420 197 2HB PRO 29 2HB PRO 29 1.342 -1.611 -0.802 198 1HG PRO 29 1HG PRO 29 -0.856 -0.273 -2.256 199 2HG PRO 29 2HG PRO 29 -0.586 -1.987 -2.009 200 1HD PRO 29 1HD PRO 29 -2.484 -0.333 -0.633 201 2HD PRO 29 2HD PRO 29 -2.133 -2.019 -0.307 202 H GLY 30 H GLY 30 2.389 1.286 -0.173 203 1HA GLY 30 1HA GLY 30 0.943 3.796 0.240 204 2HA GLY 30 2HA GLY 30 2.375 3.516 1.209 205 H ASP 31 H ASP 31 1.811 5.527 -0.986 206 HA ASP 31 HA ASP 31 3.818 4.637 -2.894 207 1HB ASP 31 1HB ASP 31 2.048 7.097 -3.160 208 2HB ASP 31 2HB ASP 31 2.906 6.252 -4.434 209 H CYS 32 H CYS 32 5.837 5.330 -2.116 210 HA CYS 32 HA CYS 32 5.975 7.837 -0.685 211 1HB CYS 32 1HB CYS 32 8.412 6.238 -1.299 212 2HB CYS 32 2HB CYS 32 7.995 7.151 0.137 213 H CYS 33 H CYS 33 6.550 9.743 -1.690 214 HA CYS 33 HA CYS 33 7.502 9.514 -4.436 215 1HB CYS 33 1HB CYS 33 5.896 11.524 -2.941 216 2HB CYS 33 2HB CYS 33 6.957 12.125 -4.200 217 H ARG 34 H ARG 34 9.450 10.600 -5.076 218 HA ARG 34 HA ARG 34 10.894 11.912 -2.946 219 1HB ARG 34 1HB ARG 34 11.753 9.621 -2.862 220 2HB ARG 34 2HB ARG 34 11.938 9.566 -4.603 221 1HG ARG 34 1HG ARG 34 13.408 11.855 -3.763 222 2HG ARG 34 2HG ARG 34 13.782 10.608 -2.590 223 1HD ARG 34 1HD ARG 34 15.394 10.248 -4.292 224 2HD ARG 34 2HD ARG 34 14.174 9.039 -4.639 225 HE ARG 34 HE ARG 34 13.511 11.454 -6.043 226 1HH1 ARG 34 1HH1 ARG 34 15.878 8.818 -6.125 227 2HH1 ARG 34 2HH1 ARG 34 16.161 8.959 -7.828 228 1HH2 ARG 34 1HH2 ARG 34 14.978 10.626 -9.080 229 H GLY 35 H GLY 35 11.047 13.949 -3.884 230 1HA GLY 35 1HA GLY 35 11.769 15.547 -5.296 231 2HA GLY 35 2HA GLY 35 12.721 14.338 -6.135 232 H LYS 36 H LYS 36 11.728 13.053 -7.865 233 HA LYS 36 HA LYS 36 9.123 14.004 -8.752 234 1HB LYS 36 1HB LYS 36 11.341 13.897 -10.772 235 2HB LYS 36 2HB LYS 36 9.812 14.749 -10.839 236 1HG LYS 36 1HG LYS 36 10.715 16.144 -8.819 237 2HG LYS 36 2HG LYS 36 12.283 15.470 -9.219 238 1HD LYS 36 1HD LYS 36 10.913 16.479 -11.617 239 2HD LYS 36 2HD LYS 36 11.068 17.730 -10.400 240 1HE LYS 36 1HE LYS 36 13.583 16.557 -10.305 241 2HE LYS 36 2HE LYS 36 13.181 16.380 -12.002 242 1HZ LYS 36 1HZ LYS 36 14.137 18.654 -10.883 243 2HZ LYS 36 2HZ LYS 36 13.355 18.602 -12.310 244 H SER 37 H SER 37 10.351 11.534 -7.493 245 HA SER 37 HA SER 37 9.475 9.738 -9.606 246 1HB SER 37 1HB SER 37 11.989 9.575 -7.932 247 2HB SER 37 2HB SER 37 11.230 8.096 -8.486 248 HG SER 37 HG SER 37 11.852 10.260 -10.295 249 H ARG 38 H ARG 38 7.804 8.445 -8.909 250 HA ARG 38 HA ARG 38 7.431 8.329 -6.031 251 1HB ARG 38 1HB ARG 38 5.526 9.305 -7.223 252 2HB ARG 38 2HB ARG 38 5.486 7.974 -8.362 253 1HG ARG 38 1HG ARG 38 4.946 6.399 -6.473 254 2HG ARG 38 2HG ARG 38 4.938 7.756 -5.364 255 1HD ARG 38 1HD ARG 38 2.658 7.609 -5.877 256 2HD ARG 38 2HD ARG 38 3.175 8.792 -7.062 257 HE ARG 38 HE ARG 38 3.526 6.227 -8.236 258 1HH1 ARG 38 1HH1 ARG 38 0.866 8.282 -7.116 259 2HH1 ARG 38 2HH1 ARG 38 -0.281 7.619 -8.230 260 1HH2 ARG 38 1HH2 ARG 38 0.414 5.895 -9.744 261 H LEU 39 H LEU 39 6.727 6.238 -5.070 262 HA LEU 39 HA LEU 39 6.982 3.900 -6.746 263 1HB LEU 39 1HB LEU 39 9.235 3.996 -6.334 264 2HB LEU 39 2HB LEU 39 9.040 4.727 -4.753 265 HG LEU 39 HG LEU 39 8.163 1.887 -5.233 266 1HD1 LEU 39 1HD1 LEU 39 10.242 1.260 -5.707 267 2HD1 LEU 39 2HD1 LEU 39 10.884 2.888 -5.384 268 3HD1 LEU 39 3HD1 LEU 39 10.681 1.730 -4.048 269 1HD2 LEU 39 1HD2 LEU 39 7.521 2.161 -3.117 270 2HD2 LEU 39 2HD2 LEU 39 9.251 2.127 -2.700 271 3HD2 LEU 39 3HD2 LEU 39 8.427 3.685 -2.949 272 H THR 40 H THR 40 5.450 2.457 -6.143 273 HA THR 40 HA THR 40 4.307 2.818 -3.453 274 HB THR 40 HB THR 40 2.965 1.559 -5.889 275 HG1 THR 40 1HG THR 40 2.760 3.651 -6.597 276 1HG2 THR 40 1HG2 THR 40 1.081 2.990 -4.491 277 2HG2 THR 40 2HG2 THR 40 1.401 1.262 -4.203 278 3HG2 THR 40 3HG2 THR 40 2.154 2.494 -3.160 279 H LEU 41 H LEU 41 4.716 1.294 -1.991 280 HA LEU 41 HA LEU 41 4.806 -1.458 -2.851 281 1HB LEU 41 1HB LEU 41 7.192 -0.241 -1.459 282 2HB LEU 41 2HB LEU 41 6.980 -1.920 -1.909 283 HG LEU 41 HG LEU 41 7.117 0.357 -3.902 284 1HD1 LEU 41 1HD1 LEU 41 9.354 -1.591 -3.407 285 2HD1 LEU 41 2HD1 LEU 41 9.388 -0.004 -4.212 286 3HD1 LEU 41 3HD1 LEU 41 9.208 -0.102 -2.444 287 1HD2 LEU 41 1HD2 LEU 41 7.647 -2.519 -4.554 288 2HD2 LEU 41 2HD2 LEU 41 5.969 -1.944 -4.416 289 3HD2 LEU 41 3HD2 LEU 41 7.073 -1.195 -5.596 290 H CYS 42 H CYS 42 5.442 -2.785 -0.634 291 HA CYS 42 HA CYS 42 3.647 -1.607 1.355 292 1HB CYS 42 1HB CYS 42 4.337 -4.530 1.038 293 2HB CYS 42 2HB CYS 42 3.105 -3.830 2.067 294 H SER 43 H SER 43 4.667 -0.875 3.186 295 HA SER 43 HA SER 43 6.751 -2.420 4.329 296 1HB SER 43 1HB SER 43 8.280 -0.260 4.378 297 2HB SER 43 2HB SER 43 8.333 -1.346 3.004 298 HG SER 43 HG SER 43 6.724 0.089 1.958 299 H TYR 44 H TYR 44 6.982 -1.930 6.571 300 HA TYR 44 HA TYR 44 4.998 -0.014 7.549 301 1HB TYR 44 1HB TYR 44 6.674 -2.232 8.883 302 2HB TYR 44 2HB TYR 44 5.356 -1.377 9.658 303 HD1 TYR 44 1HD TYR 44 6.224 -4.341 8.033 304 HD2 TYR 44 2HD TYR 44 3.042 -1.491 8.258 305 HE1 TYR 44 1HE TYR 44 4.585 -6.094 7.192 306 HE2 TYR 44 2HE TYR 44 1.414 -3.252 7.417 307 HH TYR 44 HH TYR 44 2.231 -6.546 7.289 308 H GLY 45 H GLY 45 5.725 0.895 9.862 309 1HA GLY 45 1HA GLY 45 8.425 2.040 9.470 310 2HA GLY 45 2HA GLY 45 7.059 2.904 10.149 311 H GLU 46 H GLU 46 8.847 -0.225 10.673 312 HA GLU 46 HA GLU 46 9.529 -1.226 12.474 313 1HB GLU 46 1HB GLU 46 10.041 1.574 12.975 314 2HB GLU 46 2HB GLU 46 9.608 0.812 14.492 315 1HG GLU 46 1HG GLU 46 12.095 0.734 13.910 316 2HG GLU 46 2HG GLU 46 11.375 -0.813 14.310 317 H GLY 47 H GLY 47 6.516 -0.263 12.050 318 1HA GLY 47 1HA GLY 47 4.595 -1.028 12.993 319 2HA GLY 47 2HA GLY 47 5.508 -1.706 14.327 320 H GLY 48 H GLY 48 4.400 1.456 12.943 321 1HA GLY 48 1HA GLY 48 3.421 2.329 15.479 322 2HA GLY 48 2HA GLY 48 4.933 3.115 15.069 323 H ASN 49 H ASN 49 5.014 3.859 12.583 324 HA ASN 49 HA ASN 49 2.680 5.512 12.305 325 1HB ASN 49 1HB ASN 49 5.307 5.426 10.729 326 2HB ASN 49 2HB ASN 49 4.060 6.637 10.507 327 1HD2 ASN 49 1HD2 ASN 49 4.628 8.475 11.364 328 2HD2 ASN 49 2HD2 ASN 49 5.407 8.732 12.890 329 H GLY 50 H GLY 50 2.229 2.710 11.815 330 1HA GLY 50 1HA GLY 50 1.479 1.240 10.283 331 2HA GLY 50 2HA GLY 50 0.866 2.653 9.445 332 H PHE 51 H PHE 51 1.715 3.194 7.457 333 HA PHE 51 HA PHE 51 3.748 1.447 6.418 334 1HB PHE 51 1HB PHE 51 1.741 2.109 5.097 335 2HB PHE 51 2HB PHE 51 2.081 3.807 5.365 336 HD1 PHE 51 1HD PHE 51 3.425 0.764 3.715 337 HD2 PHE 51 2HD PHE 51 3.413 5.005 3.858 338 HE1 PHE 51 1HE PHE 51 4.739 0.840 1.578 339 HE2 PHE 51 2HE PHE 51 4.728 5.081 1.721 340 HZ PHE 51 HZ PHE 51 5.375 2.997 0.607 341 H GLN 52 H GLN 52 5.766 2.135 5.480 342 HA GLN 52 HA GLN 52 6.545 4.847 6.113 343 1HB GLN 52 1HB GLN 52 7.297 2.687 7.756 344 2HB GLN 52 2HB GLN 52 8.703 2.960 6.747 345 1HG GLN 52 1HG GLN 52 7.480 5.466 7.761 346 2HG GLN 52 2HG GLN 52 8.058 4.410 9.035 347 1HE2 GLN 52 1HE2 GLN 52 10.245 3.298 8.373 348 2HE2 GLN 52 2HE2 GLN 52 11.492 4.381 7.849 349 H CYS 53 H CYS 53 9.395 4.278 5.505 350 HA CYS 53 HA CYS 53 9.704 2.896 3.136 351 1HB CYS 53 1HB CYS 53 8.343 5.384 2.748 352 2HB CYS 53 2HB CYS 53 9.945 5.512 2.049 353 HA PRO 54 HA PRO 54 13.777 4.189 4.008 354 1HB PRO 54 1HB PRO 54 15.038 4.375 1.590 355 2HB PRO 54 2HB PRO 54 14.718 2.849 2.390 356 1HG PRO 54 1HG PRO 54 13.344 4.045 0.062 357 2HG PRO 54 2HG PRO 54 13.336 2.379 0.604 358 1HD PRO 54 1HD PRO 54 11.239 4.305 0.949 359 2HD PRO 54 2HD PRO 54 11.280 2.676 1.591 360 H THR 55 H THR 55 15.651 5.788 3.674 361 HA THR 55 HA THR 55 14.527 8.341 4.035 362 HB THR 55 HB THR 55 17.360 7.302 3.530 363 HG1 THR 55 1HG THR 55 16.647 6.702 5.583 364 1HG2 THR 55 1HG2 THR 55 16.299 10.080 3.871 365 2HG2 THR 55 2HG2 THR 55 17.625 9.632 4.970 366 3HG2 THR 55 3HG2 THR 55 17.860 9.542 3.208 367 H GLY 56 H GLY 56 13.888 9.890 2.669 368 1HA GLY 56 1HA GLY 56 14.300 11.210 0.741 369 2HA GLY 56 2HA GLY 56 14.943 9.804 -0.083 370 H TYR 57 H TYR 57 12.466 8.395 1.492 371 HA TYR 57 HA TYR 57 10.603 8.940 -0.713 372 1HB TYR 57 1HB TYR 57 11.332 6.608 1.129 373 2HB TYR 57 2HB TYR 57 9.748 6.620 0.378 374 HD1 TYR 57 1HD TYR 57 13.017 7.714 -1.078 375 HD2 TYR 57 2HD TYR 57 9.835 4.855 -1.166 376 HE1 TYR 57 1HE TYR 57 14.000 6.674 -3.179 377 HE2 TYR 57 2HE TYR 57 10.829 3.825 -3.267 378 HH TYR 57 HH TYR 57 12.273 4.569 -5.124 379 H ARG 58 H ARG 58 8.863 10.168 -0.213 380 HA ARG 58 HA ARG 58 7.786 9.813 2.462 381 1HB ARG 58 1HB ARG 58 7.198 12.317 2.387 382 2HB ARG 58 2HB ARG 58 8.898 11.945 2.596 383 1HG ARG 58 1HG ARG 58 8.121 12.107 -0.252 384 2HG ARG 58 2HG ARG 58 7.806 13.599 0.613 385 1HD ARG 58 1HD ARG 58 10.480 12.167 0.878 386 2HD ARG 58 2HD ARG 58 10.174 13.272 -0.447 387 HE ARG 58 HE ARG 58 10.649 13.993 2.328 388 1HH1 ARG 58 1HH1 ARG 58 8.964 15.034 -0.610 389 2HH1 ARG 58 2HH1 ARG 58 8.943 16.706 -0.156 390 1HH2 ARG 58 1HH2 ARG 58 9.924 17.367 1.928 391 H GLN 59 H GLN 59 5.608 9.304 2.408 392 HA GLN 59 HA GLN 59 4.229 8.622 0.306 393 1HB GLN 59 1HB GLN 59 3.553 8.727 2.831 394 2HB GLN 59 2HB GLN 59 2.820 10.268 2.432 395 1HG GLN 59 1HG GLN 59 1.240 9.290 0.956 396 2HG GLN 59 2HG GLN 59 2.201 7.843 0.722 397 1HE2 GLN 59 1HE2 GLN 59 2.691 6.634 2.835 398 2HE2 GLN 59 2HE2 GLN 59 1.351 6.357 3.896 399 H CYS 60 H CYS 60 3.012 9.493 -1.400 400 HA CYS 60 HA CYS 60 3.618 12.211 -2.029 401 1HB CYS 60 1HB CYS 60 1.691 10.548 -3.606 402 2HB CYS 60 2HB CYS 60 2.825 11.767 -4.156 Start of MODEL 24 1 1H ASP 1 1H ASP 1 -23.435 -3.319 -5.457 2 HA ASP 1 HA ASP 1 -23.719 -5.612 -5.426 3 1HB ASP 1 1HB ASP 1 -21.192 -5.572 -7.043 4 2HB ASP 1 2HB ASP 1 -22.773 -6.190 -7.476 5 H ARG 2 H ARG 2 -21.437 -7.420 -6.240 6 HA ARG 2 HA ARG 2 -20.830 -8.532 -3.882 7 1HB ARG 2 1HB ARG 2 -18.997 -8.461 -6.332 8 2HB ARG 2 2HB ARG 2 -18.952 -9.673 -5.069 9 1HG ARG 2 1HG ARG 2 -21.663 -9.345 -6.183 10 2HG ARG 2 2HG ARG 2 -20.496 -9.775 -7.417 11 1HD ARG 2 1HD ARG 2 -19.691 -11.611 -5.709 12 2HD ARG 2 2HD ARG 2 -21.217 -11.316 -4.897 13 HE ARG 2 HE ARG 2 -21.575 -11.724 -7.760 14 1HH1 ARG 2 1HH1 ARG 2 -21.148 -13.419 -4.678 15 2HH1 ARG 2 2HH1 ARG 2 -21.920 -14.869 -5.226 16 1HH2 ARG 2 1HH2 ARG 2 -22.762 -14.975 -7.468 17 H CYS 3 H CYS 3 -18.440 -8.805 -2.957 18 HA CYS 3 HA CYS 3 -17.701 -6.607 -1.643 19 1HB CYS 3 1HB CYS 3 -15.893 -7.761 -0.928 20 2HB CYS 3 2HB CYS 3 -16.804 -9.082 -1.630 21 H ARG 4 H ARG 4 -15.794 -5.095 -1.914 22 HA ARG 4 HA ARG 4 -15.707 -4.260 -4.673 23 1HB ARG 4 1HB ARG 4 -16.287 -2.604 -2.869 24 2HB ARG 4 2HB ARG 4 -14.715 -2.858 -2.139 25 1HG ARG 4 1HG ARG 4 -13.587 -2.009 -4.166 26 2HG ARG 4 2HG ARG 4 -15.121 -1.868 -5.000 27 1HD ARG 4 1HD ARG 4 -14.681 0.344 -4.232 28 2HD ARG 4 2HD ARG 4 -15.848 -0.274 -3.081 29 HE ARG 4 HE ARG 4 -13.370 -0.960 -1.988 30 1HH1 ARG 4 1HH1 ARG 4 -14.919 2.065 -2.990 31 2HH1 ARG 4 2HH1 ARG 4 -14.060 3.031 -1.838 32 1HH2 ARG 4 1HH2 ARG 4 -12.488 1.981 -0.365 33 H TYR 5 H TYR 5 -14.239 -6.167 -5.184 34 HA TYR 5 HA TYR 5 -11.896 -6.848 -4.153 35 1HB TYR 5 1HB TYR 5 -13.039 -6.405 -6.911 36 2HB TYR 5 2HB TYR 5 -11.299 -6.617 -6.875 37 HD1 TYR 5 1HD TYR 5 -10.301 -8.759 -6.194 38 HD2 TYR 5 2HD TYR 5 -14.546 -8.245 -6.360 39 HE1 TYR 5 1HE TYR 5 -10.617 -11.280 -6.103 40 HE2 TYR 5 2HE TYR 5 -14.847 -10.769 -6.268 41 HH TYR 5 HH TYR 5 -12.318 -12.856 -5.427 42 H THR 6 H THR 6 -10.053 -5.866 -3.496 43 HA THR 6 HA THR 6 -9.112 -3.559 -5.026 44 HB THR 6 HB THR 6 -10.296 -2.434 -3.280 45 HG1 THR 6 1HG THR 6 -8.365 -1.482 -2.776 46 1HG2 THR 6 1HG2 THR 6 -10.210 -3.095 -0.919 47 2HG2 THR 6 2HG2 THR 6 -10.730 -4.511 -1.863 48 3HG2 THR 6 3HG2 THR 6 -9.050 -4.395 -1.285 49 H LEU 7 H LEU 7 -6.827 -2.909 -4.125 50 HA LEU 7 HA LEU 7 -5.361 -5.427 -4.029 51 1HB LEU 7 1HB LEU 7 -4.822 -2.669 -4.990 52 2HB LEU 7 2HB LEU 7 -3.459 -3.568 -4.353 53 HG LEU 7 HG LEU 7 -3.922 -3.651 -6.881 54 1HD1 LEU 7 1HD1 LEU 7 -3.656 -6.360 -5.577 55 2HD1 LEU 7 2HD1 LEU 7 -2.904 -5.760 -7.074 56 3HD1 LEU 7 3HD1 LEU 7 -2.371 -5.132 -5.496 57 1HD2 LEU 7 1HD2 LEU 7 -6.396 -4.157 -6.493 58 2HD2 LEU 7 2HD2 LEU 7 -5.550 -5.111 -7.735 59 3HD2 LEU 7 3HD2 LEU 7 -5.880 -5.823 -6.138 60 H CYS 8 H CYS 8 -4.686 -6.204 -2.111 61 HA CYS 8 HA CYS 8 -4.175 -4.220 -0.015 62 1HB CYS 8 1HB CYS 8 -5.232 -7.028 0.373 63 2HB CYS 8 2HB CYS 8 -4.891 -5.863 1.635 64 H CYS 9 H CYS 9 -2.502 -5.052 1.622 65 HA CYS 9 HA CYS 9 -0.480 -6.559 0.147 66 1HB CYS 9 1HB CYS 9 -0.320 -4.463 2.295 67 2HB CYS 9 2HB CYS 9 1.013 -5.569 2.031 68 H ASP 10 H ASP 10 0.599 -8.337 1.227 69 HA ASP 10 HA ASP 10 -1.093 -9.556 3.196 70 1HB ASP 10 1HB ASP 10 1.303 -10.444 1.556 71 2HB ASP 10 2HB ASP 10 0.758 -11.418 2.908 72 H GLY 11 H GLY 11 1.542 -7.417 3.127 73 1HA GLY 11 1HA GLY 11 2.619 -6.552 4.970 74 2HA GLY 11 2HA GLY 11 2.191 -7.966 5.913 75 H ALA 12 H ALA 12 3.096 -9.918 3.829 76 HA ALA 12 HA ALA 12 5.913 -9.356 3.527 77 1HB ALA 12 1HB ALA 12 6.714 -10.727 5.143 78 2HB ALA 12 2HB ALA 12 5.104 -10.547 5.882 79 3HB ALA 12 3HB ALA 12 5.458 -11.954 4.852 80 H LEU 13 H LEU 13 5.294 -9.442 1.273 81 HA LEU 13 HA LEU 13 5.743 -11.833 0.047 82 1HB LEU 13 1HB LEU 13 3.832 -12.877 0.806 83 2HB LEU 13 2HB LEU 13 2.857 -11.423 0.714 84 HG LEU 13 HG LEU 13 3.624 -11.949 -1.940 85 1HD1 LEU 13 1HD1 LEU 13 4.332 -14.201 -1.203 86 2HD1 LEU 13 2HD1 LEU 13 2.679 -14.506 -0.617 87 3HD1 LEU 13 3HD1 LEU 13 2.973 -14.240 -2.352 88 1HD2 LEU 13 1HD2 LEU 13 1.079 -12.807 -1.892 89 2HD2 LEU 13 2HD2 LEU 13 1.141 -11.988 -0.313 90 3HD2 LEU 13 3HD2 LEU 13 1.536 -11.090 -1.797 91 H LYS 14 H LYS 14 2.892 -9.939 -0.963 92 HA LYS 14 HA LYS 14 4.229 -7.876 -2.251 93 1HB LYS 14 1HB LYS 14 4.134 -8.640 -4.602 94 2HB LYS 14 2HB LYS 14 5.306 -9.518 -3.641 95 1HG LYS 14 1HG LYS 14 4.232 -11.499 -3.963 96 2HG LYS 14 2HG LYS 14 2.682 -10.818 -3.509 97 1HD LYS 14 1HD LYS 14 3.983 -10.467 -6.252 98 2HD LYS 14 2HD LYS 14 2.750 -11.659 -5.887 99 1HE LYS 14 1HE LYS 14 1.064 -10.021 -5.576 100 2HE LYS 14 2HE LYS 14 2.218 -8.743 -5.257 101 1HZ LYS 14 1HZ LYS 14 2.221 -8.260 -7.436 102 2HZ LYS 14 2HZ LYS 14 2.683 -9.766 -7.847 103 H ALA 15 H ALA 15 2.680 -6.349 -2.418 104 HA ALA 15 HA ALA 15 0.114 -6.622 -1.735 105 1HB ALA 15 1HB ALA 15 -0.273 -4.524 -2.825 106 2HB ALA 15 2HB ALA 15 1.434 -4.519 -2.320 107 3HB ALA 15 3HB ALA 15 1.010 -4.830 -4.021 108 H VAL 16 H VAL 16 -1.531 -7.898 -2.404 109 HA VAL 16 HA VAL 16 -1.714 -8.417 -5.286 110 HB VAL 16 HB VAL 16 -0.734 -10.323 -3.963 111 1HG1 VAL 16 1HG1 VAL 16 -3.090 -9.829 -2.353 112 2HG1 VAL 16 2HG1 VAL 16 -3.085 -11.504 -2.958 113 3HG1 VAL 16 3HG1 VAL 16 -1.697 -10.888 -2.030 114 1HG2 VAL 16 1HG2 VAL 16 -3.371 -11.184 -5.124 115 2HG2 VAL 16 2HG2 VAL 16 -2.156 -10.403 -6.165 116 3HG2 VAL 16 3HG2 VAL 16 -1.756 -11.910 -5.307 117 H SER 17 H SER 17 -4.051 -9.402 -5.729 118 HA SER 17 HA SER 17 -5.817 -7.395 -4.855 119 1HB SER 17 1HB SER 17 -6.412 -9.984 -6.356 120 2HB SER 17 2HB SER 17 -7.487 -8.605 -6.236 121 HG SER 17 HG SER 17 -6.373 -7.557 -7.752 122 H ALA 18 H ALA 18 -7.855 -7.716 -3.651 123 HA ALA 18 HA ALA 18 -8.078 -10.201 -2.172 124 1HB ALA 18 1HB ALA 18 -8.400 -8.474 -0.107 125 2HB ALA 18 2HB ALA 18 -6.850 -9.261 -0.486 126 3HB ALA 18 3HB ALA 18 -7.162 -7.599 -1.039 127 H CYS 19 H CYS 19 -10.203 -10.355 -1.057 128 HA CYS 19 HA CYS 19 -12.141 -8.639 -2.426 129 1HB CYS 19 1HB CYS 19 -12.195 -11.061 -2.996 130 2HB CYS 19 2HB CYS 19 -12.559 -11.423 -1.321 131 H LEU 20 H LEU 20 -12.244 -6.948 -0.871 132 HA LEU 20 HA LEU 20 -13.298 -7.800 1.731 133 1HB LEU 20 1HB LEU 20 -11.477 -7.040 2.706 134 2HB LEU 20 2HB LEU 20 -10.832 -6.448 1.188 135 HG LEU 20 HG LEU 20 -12.856 -4.862 2.771 136 1HD1 LEU 20 1HD1 LEU 20 -11.244 -4.993 4.402 137 2HD1 LEU 20 2HD1 LEU 20 -9.910 -5.151 3.232 138 3HD1 LEU 20 3HD1 LEU 20 -10.688 -3.571 3.486 139 1HD2 LEU 20 1HD2 LEU 20 -10.722 -3.741 0.981 140 2HD2 LEU 20 2HD2 LEU 20 -12.212 -4.420 0.284 141 3HD2 LEU 20 3HD2 LEU 20 -12.305 -3.063 1.432 142 H HIS 21 H HIS 21 -14.668 -6.120 2.781 143 HA HIS 21 HA HIS 21 -16.049 -4.609 0.697 144 1HB HIS 21 1HB HIS 21 -17.031 -5.531 3.413 145 2HB HIS 21 2HB HIS 21 -17.976 -4.640 2.237 146 HD1 HIS 21 1HD HIS 21 -16.680 -8.065 3.019 147 HD2 HIS 21 2HD HIS 21 -18.797 -6.145 -0.051 148 HE1 HIS 21 1HE HIS 21 -17.655 -9.916 1.558 149 H GLU 22 H GLU 22 -17.330 -2.631 1.963 150 HA GLU 22 HA GLU 22 -15.227 -0.880 2.585 151 1HB GLU 22 1HB GLU 22 -18.176 -0.731 2.238 152 2HB GLU 22 2HB GLU 22 -17.517 0.469 3.332 153 1HG GLU 22 1HG GLU 22 -16.724 1.675 1.585 154 2HG GLU 22 2HG GLU 22 -15.761 0.313 1.047 155 H SER 23 H SER 23 -17.363 -2.962 4.461 156 HA SER 23 HA SER 23 -16.965 -1.523 6.880 157 1HB SER 23 1HB SER 23 -18.626 -3.692 5.934 158 2HB SER 23 2HB SER 23 -17.808 -4.220 7.392 159 HG SER 23 HG SER 23 -19.713 -3.191 8.042 160 H GLU 24 H GLU 24 -14.859 -3.213 4.995 161 HA GLU 24 HA GLU 24 -13.423 -4.177 7.342 162 1HB GLU 24 1HB GLU 24 -14.443 -5.969 5.717 163 2HB GLU 24 2HB GLU 24 -13.154 -5.501 4.627 164 1HG GLU 24 1HG GLU 24 -11.857 -5.812 7.113 165 2HG GLU 24 2HG GLU 24 -13.022 -7.121 7.080 166 H SER 25 H SER 25 -11.056 -4.029 7.194 167 HA SER 25 HA SER 25 -10.149 -2.378 4.986 168 1HB SER 25 1HB SER 25 -10.698 -0.969 7.051 169 2HB SER 25 2HB SER 25 -9.409 -1.811 7.888 170 HG SER 25 HG SER 25 -8.774 0.263 6.890 171 H CYS 26 H CYS 26 -8.227 -3.142 4.139 172 HA CYS 26 HA CYS 26 -6.861 -5.174 5.738 173 1HB CYS 26 1HB CYS 26 -5.823 -5.655 3.378 174 2HB CYS 26 2HB CYS 26 -7.385 -6.301 3.843 175 H LEU 27 H LEU 27 -4.348 -5.230 4.914 176 HA LEU 27 HA LEU 27 -3.327 -2.661 5.669 177 1HB LEU 27 1HB LEU 27 -2.491 -4.952 6.399 178 2HB LEU 27 2HB LEU 27 -1.768 -5.092 4.810 179 HG LEU 27 HG LEU 27 -0.187 -4.359 6.573 180 1HD1 LEU 27 1HD1 LEU 27 -0.499 -3.349 3.965 181 2HD1 LEU 27 2HD1 LEU 27 -0.036 -1.962 4.980 182 3HD1 LEU 27 3HD1 LEU 27 0.987 -3.418 4.943 183 1HD2 LEU 27 1HD2 LEU 27 -1.611 -1.699 6.597 184 2HD2 LEU 27 2HD2 LEU 27 -1.959 -2.977 7.787 185 3HD2 LEU 27 3HD2 LEU 27 -0.322 -2.290 7.673 186 H VAL 28 H VAL 28 -3.703 -1.131 4.077 187 HA VAL 28 HA VAL 28 -3.121 -1.796 1.335 188 HB VAL 28 HB VAL 28 -4.979 -0.269 2.369 189 1HG1 VAL 28 1HG1 VAL 28 -4.490 1.878 2.925 190 2HG1 VAL 28 2HG1 VAL 28 -2.897 1.178 3.299 191 3HG1 VAL 28 3HG1 VAL 28 -3.164 2.001 1.744 192 1HG2 VAL 28 1HG2 VAL 28 -3.627 0.906 -0.047 193 2HG2 VAL 28 2HG2 VAL 28 -4.266 -0.754 -0.110 194 3HG2 VAL 28 3HG2 VAL 28 -5.356 0.605 0.257 195 HA PRO 29 HA PRO 29 0.970 -0.394 1.463 196 1HB PRO 29 1HB PRO 29 1.449 -0.050 -1.205 197 2HB PRO 29 2HB PRO 29 1.515 -1.613 -0.414 198 1HG PRO 29 1HG PRO 29 -0.581 -0.522 -2.191 199 2HG PRO 29 2HG PRO 29 -0.281 -2.190 -1.741 200 1HD PRO 29 1HD PRO 29 -2.350 -0.483 -0.723 201 2HD PRO 29 2HD PRO 29 -1.976 -2.111 -0.191 202 H GLY 30 H GLY 30 2.418 1.375 0.038 203 1HA GLY 30 1HA GLY 30 0.859 3.852 0.021 204 2HA GLY 30 2HA GLY 30 2.183 3.733 1.163 205 H ASP 31 H ASP 31 1.792 5.471 -1.297 206 HA ASP 31 HA ASP 31 4.019 4.475 -2.878 207 1HB ASP 31 1HB ASP 31 2.252 6.848 -3.572 208 2HB ASP 31 2HB ASP 31 3.237 5.889 -4.659 209 H CYS 32 H CYS 32 5.972 5.356 -2.166 210 HA CYS 32 HA CYS 32 5.910 7.942 -0.864 211 1HB CYS 32 1HB CYS 32 8.342 6.211 -1.255 212 2HB CYS 32 2HB CYS 32 8.069 7.462 -0.057 213 H CYS 33 H CYS 33 6.445 9.805 -1.966 214 HA CYS 33 HA CYS 33 7.844 9.437 -4.516 215 1HB CYS 33 1HB CYS 33 6.676 11.388 -5.362 216 2HB CYS 33 2HB CYS 33 5.554 10.129 -4.887 217 H ARG 34 H ARG 34 9.510 11.019 -4.994 218 HA ARG 34 HA ARG 34 10.005 13.064 -3.092 219 1HB ARG 34 1HB ARG 34 11.138 11.410 -1.803 220 2HB ARG 34 2HB ARG 34 11.741 10.575 -3.221 221 1HG ARG 34 1HG ARG 34 13.523 11.887 -2.026 222 2HG ARG 34 2HG ARG 34 13.327 12.370 -3.699 223 1HD ARG 34 1HD ARG 34 13.091 14.501 -2.931 224 2HD ARG 34 2HD ARG 34 11.503 14.026 -2.363 225 HE ARG 34 HE ARG 34 12.997 13.196 -0.273 226 1HH1 ARG 34 2HH1 ARG 34 13.189 16.225 -2.099 227 2HH1 ARG 34 1HH1 ARG 34 13.788 17.141 -0.758 228 1HH2 ARG 34 1HH2 ARG 34 14.132 16.050 1.348 229 H GLY 35 H GLY 35 10.942 14.781 -4.196 230 1HA GLY 35 1HA GLY 35 12.048 15.928 -5.787 231 2HA GLY 35 2HA GLY 35 12.913 14.463 -6.203 232 H LYS 36 H LYS 36 12.077 13.020 -7.837 233 HA LYS 36 HA LYS 36 9.656 13.859 -9.192 234 1HB LYS 36 1HB LYS 36 10.650 14.207 -11.317 235 2HB LYS 36 2HB LYS 36 11.538 15.200 -10.180 236 1HG LYS 36 1HG LYS 36 13.481 14.039 -10.499 237 2HG LYS 36 2HG LYS 36 12.675 12.485 -10.411 238 1HD LYS 36 1HD LYS 36 13.379 12.502 -12.646 239 2HD LYS 36 2HD LYS 36 11.742 13.106 -12.804 240 1HE LYS 36 1HE LYS 36 13.943 15.116 -12.335 241 2HE LYS 36 2HE LYS 36 13.829 14.383 -13.923 242 1HZ LYS 36 1HZ LYS 36 11.508 15.664 -12.589 243 2HZ LYS 36 2HZ LYS 36 12.476 16.456 -13.632 244 H SER 37 H SER 37 10.584 11.594 -7.483 245 HA SER 37 HA SER 37 9.960 9.539 -9.426 246 1HB SER 37 1HB SER 37 11.646 8.011 -8.298 247 2HB SER 37 2HB SER 37 12.345 9.303 -9.254 248 HG SER 37 HG SER 37 12.197 10.459 -6.951 249 H ARG 38 H ARG 38 8.570 7.929 -8.594 250 HA ARG 38 HA ARG 38 8.150 7.970 -5.735 251 1HB ARG 38 1HB ARG 38 6.413 9.479 -6.603 252 2HB ARG 38 2HB ARG 38 5.959 8.323 -7.839 253 1HG ARG 38 1HG ARG 38 5.288 6.695 -6.031 254 2HG ARG 38 2HG ARG 38 5.677 7.906 -4.825 255 1HD ARG 38 1HD ARG 38 3.382 8.286 -5.080 256 2HD ARG 38 2HD ARG 38 4.022 9.443 -6.232 257 HE ARG 38 HE ARG 38 3.732 7.087 -7.706 258 1HH1 ARG 38 1HH1 ARG 38 1.560 9.135 -5.798 259 2HH1 ARG 38 2HH1 ARG 38 0.159 8.737 -6.736 260 1HH2 ARG 38 1HH2 ARG 38 0.373 7.222 -8.581 261 H LEU 39 H LEU 39 7.125 5.956 -4.933 262 HA LEU 39 HA LEU 39 6.658 3.870 -6.868 263 1HB LEU 39 1HB LEU 39 8.666 2.976 -6.790 264 2HB LEU 39 2HB LEU 39 9.208 4.159 -5.616 265 HG LEU 39 HG LEU 39 7.736 1.613 -4.891 266 1HD1 LEU 39 1HD1 LEU 39 9.875 1.078 -5.952 267 2HD1 LEU 39 2HD1 LEU 39 10.716 2.166 -4.822 268 3HD1 LEU 39 3HD1 LEU 39 9.901 0.706 -4.211 269 1HD2 LEU 39 1HD2 LEU 39 7.676 2.352 -2.799 270 2HD2 LEU 39 2HD2 LEU 39 9.406 2.769 -2.830 271 3HD2 LEU 39 3HD2 LEU 39 8.198 3.941 -3.407 272 H THR 40 H THR 40 5.480 2.077 -5.952 273 HA THR 40 HA THR 40 4.422 2.690 -3.270 274 HB THR 40 HB THR 40 3.010 2.897 -5.580 275 HG1 THR 40 1HG THR 40 1.222 2.028 -4.002 276 1HG2 THR 40 1HG2 THR 40 2.515 0.036 -4.610 277 2HG2 THR 40 2HG2 THR 40 1.677 0.877 -5.936 278 3HG2 THR 40 3HG2 THR 40 3.389 0.421 -6.113 279 H LEU 41 H LEU 41 4.689 1.197 -1.728 280 HA LEU 41 HA LEU 41 4.877 -1.579 -2.496 281 1HB LEU 41 1HB LEU 41 7.191 -0.079 -1.274 282 2HB LEU 41 2HB LEU 41 7.019 -1.819 -1.165 283 HG LEU 41 HG LEU 41 7.232 -0.240 -3.744 284 1HD1 LEU 41 1HD1 LEU 41 9.324 -0.176 -2.517 285 2HD1 LEU 41 2HD1 LEU 41 9.285 -1.943 -2.304 286 3HD1 LEU 41 3HD1 LEU 41 9.474 -1.246 -3.932 287 1HD2 LEU 41 1HD2 LEU 41 6.278 -2.042 -4.653 288 2HD2 LEU 41 2HD2 LEU 41 7.820 -2.868 -4.321 289 3HD2 LEU 41 3HD2 LEU 41 6.470 -3.008 -3.170 290 H CYS 42 H CYS 42 5.532 -2.766 -0.156 291 HA CYS 42 HA CYS 42 3.588 -1.586 1.692 292 1HB CYS 42 1HB CYS 42 4.331 -4.493 1.712 293 2HB CYS 42 2HB CYS 42 2.897 -3.710 2.347 294 H SER 43 H SER 43 4.568 -0.708 3.480 295 HA SER 43 HA SER 43 6.589 -2.193 4.806 296 1HB SER 43 1HB SER 43 7.354 0.584 3.820 297 2HB SER 43 2HB SER 43 8.371 -0.543 4.693 298 HG SER 43 HG SER 43 8.801 -1.628 2.879 299 H TYR 44 H TYR 44 6.566 -1.694 7.021 300 HA TYR 44 HA TYR 44 4.642 0.369 7.786 301 1HB TYR 44 1HB TYR 44 6.116 -1.786 9.416 302 2HB TYR 44 2HB TYR 44 4.659 -0.944 9.904 303 HD1 TYR 44 1HD TYR 44 2.747 -1.168 7.860 304 HD2 TYR 44 2HD TYR 44 5.761 -4.014 8.917 305 HE1 TYR 44 1HE TYR 44 1.341 -3.039 6.864 306 HE2 TYR 44 2HE TYR 44 4.345 -5.875 7.919 307 HH TYR 44 HH TYR 44 1.559 -5.192 6.009 308 H GLY 45 H GLY 45 5.232 1.360 10.088 309 1HA GLY 45 1HA GLY 45 8.074 1.886 10.399 310 2HA GLY 45 2HA GLY 45 7.106 3.249 9.872 311 H GLU 46 H GLU 46 8.493 3.181 12.379 312 HA GLU 46 HA GLU 46 8.202 3.626 14.483 313 1HB GLU 46 1HB GLU 46 5.796 4.604 13.216 314 2HB GLU 46 2HB GLU 46 5.371 3.986 14.800 315 1HG GLU 46 1HG GLU 46 7.437 6.123 14.136 316 2HG GLU 46 2HG GLU 46 5.982 6.307 15.094 317 H GLY 47 H GLY 47 7.367 0.845 13.141 318 1HA GLY 47 1HA GLY 47 7.263 -1.196 14.195 319 2HA GLY 47 2HA GLY 47 6.790 -0.424 15.695 320 H GLY 48 H GLY 48 5.629 -1.349 12.412 321 1HA GLY 48 1HA GLY 48 3.542 -1.656 11.599 322 2HA GLY 48 2HA GLY 48 3.301 -2.530 13.098 323 H ASN 49 H ASN 49 3.728 1.006 12.357 324 HA ASN 49 HA ASN 49 1.195 1.401 13.748 325 1HB ASN 49 1HB ASN 49 3.685 2.401 14.481 326 2HB ASN 49 2HB ASN 49 3.058 3.726 13.520 327 1HD2 ASN 49 1HD2 ASN 49 3.236 2.452 16.537 328 2HD2 ASN 49 2HD2 ASN 49 1.869 3.192 17.302 329 H GLY 50 H GLY 50 1.701 0.861 10.841 330 1HA GLY 50 1HA GLY 50 0.092 2.034 9.325 331 2HA GLY 50 2HA GLY 50 1.001 3.490 9.679 332 H PHE 51 H PHE 51 1.782 3.875 7.573 333 HA PHE 51 HA PHE 51 3.549 1.776 6.527 334 1HB PHE 51 1HB PHE 51 1.536 2.367 5.130 335 2HB PHE 51 2HB PHE 51 1.966 4.064 5.209 336 HD1 PHE 51 1HD PHE 51 3.256 0.785 4.011 337 HD2 PHE 51 2HD PHE 51 3.299 5.003 3.547 338 HE1 PHE 51 1HE PHE 51 4.612 0.541 1.912 339 HE2 PHE 51 2HE PHE 51 4.654 4.759 1.449 340 HZ PHE 51 HZ PHE 51 5.295 2.531 0.657 341 H GLN 52 H GLN 52 5.597 2.417 5.634 342 HA GLN 52 HA GLN 52 6.371 5.104 6.471 343 1HB GLN 52 1HB GLN 52 7.336 2.772 7.556 344 2HB GLN 52 2HB GLN 52 8.502 3.028 6.272 345 1HG GLN 52 1HG GLN 52 7.961 5.553 7.632 346 2HG GLN 52 2HG GLN 52 8.401 4.329 8.807 347 1HE2 GLN 52 1HE2 GLN 52 10.323 3.000 8.314 348 2HE2 GLN 52 2HE2 GLN 52 11.693 3.752 7.567 349 H CYS 53 H CYS 53 8.902 5.254 5.292 350 HA CYS 53 HA CYS 53 8.509 4.530 2.508 351 1HB CYS 53 1HB CYS 53 8.834 7.357 3.508 352 2HB CYS 53 2HB CYS 53 9.260 6.886 1.876 353 HA PRO 54 HA PRO 54 12.783 3.838 3.035 354 1HB PRO 54 1HB PRO 54 13.568 3.551 0.433 355 2HB PRO 54 2HB PRO 54 12.811 2.266 1.353 356 1HG PRO 54 1HG PRO 54 11.645 3.963 -0.768 357 2HG PRO 54 2HG PRO 54 11.066 2.431 -0.148 358 1HD PRO 54 1HD PRO 54 10.010 5.031 0.445 359 2HD PRO 54 2HD PRO 54 9.508 3.509 1.155 360 H THR 55 H THR 55 15.022 4.595 2.530 361 HA THR 55 HA THR 55 15.036 7.395 2.792 362 HB THR 55 HB THR 55 17.127 5.238 2.251 363 HG1 THR 55 1HG THR 55 16.228 7.032 4.388 364 1HG2 THR 55 1HG2 THR 55 18.453 7.002 1.511 365 2HG2 THR 55 2HG2 THR 55 17.394 8.232 2.242 366 3HG2 THR 55 3HG2 THR 55 18.553 7.340 3.256 367 H GLY 56 H GLY 56 15.029 9.039 1.381 368 1HA GLY 56 1HA GLY 56 15.662 10.051 -0.631 369 2HA GLY 56 2HA GLY 56 15.769 8.483 -1.405 370 H TYR 57 H TYR 57 13.002 8.365 0.502 371 HA TYR 57 HA TYR 57 11.329 9.432 -1.670 372 1HB TYR 57 1HB TYR 57 11.305 6.840 -0.027 373 2HB TYR 57 2HB TYR 57 9.832 7.404 -0.792 374 HD1 TYR 57 1HD TYR 57 9.912 7.808 -3.360 375 HD2 TYR 57 2HD TYR 57 12.830 5.518 -1.227 376 HE1 TYR 57 1HE TYR 57 10.603 6.661 -5.522 377 HE2 TYR 57 2HE TYR 57 13.510 4.379 -3.396 378 HH TYR 57 HH TYR 57 11.831 5.136 -6.434 379 H ARG 58 H ARG 58 9.093 10.002 -0.976 380 HA ARG 58 HA ARG 58 8.831 10.354 1.869 381 1HB ARG 58 1HB ARG 58 9.907 12.459 0.796 382 2HB ARG 58 2HB ARG 58 8.379 12.707 -0.025 383 1HG ARG 58 1HG ARG 58 8.094 12.201 2.888 384 2HG ARG 58 2HG ARG 58 9.005 13.650 2.515 385 1HD ARG 58 1HD ARG 58 6.657 13.470 0.779 386 2HD ARG 58 2HD ARG 58 6.176 13.335 2.459 387 HE ARG 58 HE ARG 58 8.010 15.460 2.397 388 1HH1 ARG 58 1HH1 ARG 58 4.897 14.739 0.865 389 2HH1 ARG 58 2HH1 ARG 58 4.434 16.403 0.734 390 1HH2 ARG 58 1HH2 ARG 58 5.921 18.101 1.541 391 H GLN 59 H GLN 59 6.795 9.611 2.380 392 HA GLN 59 HA GLN 59 4.990 8.652 0.733 393 1HB GLN 59 1HB GLN 59 3.235 9.337 2.518 394 2HB GLN 59 2HB GLN 59 4.588 8.354 3.040 395 1HG GLN 59 1HG GLN 59 5.091 11.289 3.149 396 2HG GLN 59 2HG GLN 59 3.821 10.735 4.223 397 1HE2 GLN 59 1HE2 GLN 59 4.502 8.373 5.119 398 2HE2 GLN 59 2HE2 GLN 59 6.018 8.364 5.956 399 H CYS 60 H CYS 60 3.530 9.332 -0.803 400 HA CYS 60 HA CYS 60 3.544 12.115 -1.452 401 1HB CYS 60 1HB CYS 60 3.070 9.678 -2.818 402 2HB CYS 60 2HB CYS 60 1.595 10.617 -2.939 Start of MODEL 25 1 1H ASP 1 1H ASP 1 -22.556 -5.041 -8.116 2 HA ASP 1 HA ASP 1 -22.055 -7.663 -6.974 3 1HB ASP 1 1HB ASP 1 -19.972 -5.489 -7.343 4 2HB ASP 1 2HB ASP 1 -19.727 -7.223 -7.262 5 H ARG 2 H ARG 2 -20.038 -7.083 -5.128 6 HA ARG 2 HA ARG 2 -20.962 -4.887 -3.521 7 1HB ARG 2 1HB ARG 2 -20.630 -7.539 -2.104 8 2HB ARG 2 2HB ARG 2 -21.574 -6.145 -1.617 9 1HG ARG 2 1HG ARG 2 -23.213 -6.595 -3.437 10 2HG ARG 2 2HG ARG 2 -22.256 -7.960 -3.979 11 1HD ARG 2 1HD ARG 2 -23.904 -8.985 -2.624 12 2HD ARG 2 2HD ARG 2 -22.531 -8.877 -1.540 13 HE ARG 2 HE ARG 2 -23.972 -6.468 -1.217 14 1HH1 ARG 2 2HH1 ARG 2 -24.548 -9.928 -0.712 15 2HH1 ARG 2 1HH1 ARG 2 -25.681 -9.678 0.573 16 1HH2 ARG 2 1HH2 ARG 2 -26.208 -7.442 1.256 17 H CYS 3 H CYS 3 -19.400 -4.436 -1.679 18 HA CYS 3 HA CYS 3 -17.389 -4.248 -0.814 19 1HB CYS 3 1HB CYS 3 -16.882 -6.345 -0.217 20 2HB CYS 3 2HB CYS 3 -17.337 -7.019 -1.769 21 H ARG 4 H ARG 4 -15.202 -3.470 -1.457 22 HA ARG 4 HA ARG 4 -15.129 -2.966 -4.324 23 1HB ARG 4 1HB ARG 4 -15.184 -1.119 -2.220 24 2HB ARG 4 2HB ARG 4 -13.475 -1.200 -2.604 25 1HG ARG 4 1HG ARG 4 -13.925 0.265 -4.286 26 2HG ARG 4 2HG ARG 4 -14.638 -1.092 -5.136 27 1HD ARG 4 1HD ARG 4 -16.302 0.666 -5.112 28 2HD ARG 4 2HD ARG 4 -16.853 -0.561 -3.989 29 HE ARG 4 HE ARG 4 -16.404 0.895 -2.168 30 1HH1 ARG 4 1HH1 ARG 4 -15.245 2.306 -5.204 31 2HH1 ARG 4 2HH1 ARG 4 -15.003 3.881 -4.525 32 1HH2 ARG 4 1HH2 ARG 4 -15.504 4.250 -2.210 33 H TYR 5 H TYR 5 -13.832 -4.798 -4.892 34 HA TYR 5 HA TYR 5 -11.749 -5.886 -3.574 35 1HB TYR 5 1HB TYR 5 -12.038 -5.152 -6.555 36 2HB TYR 5 2HB TYR 5 -10.946 -6.389 -5.964 37 HD1 TYR 5 1HD TYR 5 -11.791 -8.553 -5.187 38 HD2 TYR 5 2HD TYR 5 -14.460 -5.531 -6.619 39 HE1 TYR 5 1HE TYR 5 -13.649 -10.276 -5.381 40 HE2 TYR 5 2HE TYR 5 -16.309 -7.264 -6.809 41 HH TYR 5 HH TYR 5 -16.169 -10.218 -5.327 42 H THR 6 H THR 6 -9.811 -5.208 -2.810 43 HA THR 6 HA THR 6 -8.515 -2.981 -4.230 44 HB THR 6 HB THR 6 -8.401 -3.274 -1.210 45 HG1 THR 6 1HG THR 6 -10.432 -2.234 -1.149 46 1HG2 THR 6 1HG2 THR 6 -8.110 -1.060 -3.274 47 2HG2 THR 6 2HG2 THR 6 -8.572 -0.662 -1.601 48 3HG2 THR 6 3HG2 THR 6 -7.022 -1.475 -1.927 49 H LEU 7 H LEU 7 -6.139 -2.832 -3.743 50 HA LEU 7 HA LEU 7 -5.088 -5.538 -3.838 51 1HB LEU 7 1HB LEU 7 -3.801 -2.862 -4.398 52 2HB LEU 7 2HB LEU 7 -3.025 -4.422 -4.593 53 HG LEU 7 HG LEU 7 -5.509 -3.569 -6.104 54 1HD1 LEU 7 1HD1 LEU 7 -3.867 -2.084 -6.865 55 2HD1 LEU 7 2HD1 LEU 7 -2.587 -3.319 -6.805 56 3HD1 LEU 7 3HD1 LEU 7 -3.854 -3.410 -8.051 57 1HD2 LEU 7 1HD2 LEU 7 -3.847 -5.627 -7.310 58 2HD2 LEU 7 2HD2 LEU 7 -4.441 -6.106 -5.702 59 3HD2 LEU 7 3HD2 LEU 7 -5.594 -5.617 -6.967 60 H CYS 8 H CYS 8 -4.474 -6.508 -1.987 61 HA CYS 8 HA CYS 8 -3.560 -4.749 0.166 62 1HB CYS 8 1HB CYS 8 -4.478 -7.605 0.476 63 2HB CYS 8 2HB CYS 8 -4.235 -6.404 1.728 64 H CYS 9 H CYS 9 -1.688 -5.601 1.467 65 HA CYS 9 HA CYS 9 0.157 -6.977 -0.315 66 1HB CYS 9 1HB CYS 9 0.439 -5.034 1.919 67 2HB CYS 9 2HB CYS 9 1.716 -6.219 1.731 68 H ASP 10 H ASP 10 1.620 -8.658 0.735 69 HA ASP 10 HA ASP 10 -0.027 -10.337 2.378 70 1HB ASP 10 1HB ASP 10 1.409 -12.097 1.736 71 2HB ASP 10 2HB ASP 10 1.417 -11.055 0.327 72 H GLY 11 H GLY 11 1.571 -7.735 3.210 73 1HA GLY 11 1HA GLY 11 2.357 -7.094 5.254 74 2HA GLY 11 2HA GLY 11 2.474 -8.770 5.754 75 H ALA 12 H ALA 12 3.929 -9.082 2.892 76 HA ALA 12 HA ALA 12 6.541 -8.185 3.908 77 1HB ALA 12 1HB ALA 12 6.074 -10.687 3.975 78 2HB ALA 12 2HB ALA 12 6.002 -10.638 2.197 79 3HB ALA 12 3HB ALA 12 7.508 -10.200 3.039 80 H LEU 13 H LEU 13 7.226 -9.560 1.049 81 HA LEU 13 HA LEU 13 7.087 -7.002 -0.313 82 1HB LEU 13 1HB LEU 13 8.978 -7.600 -1.297 83 2HB LEU 13 2HB LEU 13 9.059 -8.845 -0.067 84 HG LEU 13 HG LEU 13 9.553 -9.831 -2.191 85 1HD1 LEU 13 1HD1 LEU 13 7.549 -10.751 -0.488 86 2HD1 LEU 13 2HD1 LEU 13 6.879 -10.966 -2.123 87 3HD1 LEU 13 3HD1 LEU 13 8.446 -11.696 -1.700 88 1HD2 LEU 13 1HD2 LEU 13 7.773 -7.957 -3.235 89 2HD2 LEU 13 2HD2 LEU 13 8.649 -9.222 -4.129 90 3HD2 LEU 13 3HD2 LEU 13 6.998 -9.531 -3.539 91 H LYS 14 H LYS 14 5.526 -10.145 -0.222 92 HA LYS 14 HA LYS 14 4.560 -10.155 -2.864 93 1HB LYS 14 1HB LYS 14 4.450 -11.819 -0.564 94 2HB LYS 14 2HB LYS 14 2.794 -11.516 -1.046 95 1HG LYS 14 1HG LYS 14 3.161 -12.365 -3.265 96 2HG LYS 14 2HG LYS 14 4.903 -12.288 -3.096 97 1HD LYS 14 1HD LYS 14 3.026 -14.184 -1.610 98 2HD LYS 14 2HD LYS 14 4.148 -14.622 -2.882 99 1HE LYS 14 1HE LYS 14 5.701 -15.008 -1.270 100 2HE LYS 14 2HE LYS 14 5.762 -13.278 -0.999 101 1HZ LYS 14 1HZ LYS 14 5.153 -14.066 1.077 102 2HZ LYS 14 2HZ LYS 14 3.670 -13.775 0.471 103 H ALA 15 H ALA 15 2.167 -9.960 -3.425 104 HA ALA 15 HA ALA 15 0.537 -8.323 -1.791 105 1HB ALA 15 1HB ALA 15 2.493 -6.878 -3.073 106 2HB ALA 15 2HB ALA 15 1.166 -6.813 -4.257 107 3HB ALA 15 3HB ALA 15 0.905 -6.232 -2.595 108 H VAL 16 H VAL 16 -1.550 -8.776 -2.346 109 HA VAL 16 HA VAL 16 -2.071 -9.543 -5.115 110 HB VAL 16 HB VAL 16 -1.585 -11.566 -3.692 111 1HG1 VAL 16 1HG1 VAL 16 -3.556 -10.293 -1.997 112 2HG1 VAL 16 2HG1 VAL 16 -4.090 -11.927 -2.458 113 3HG1 VAL 16 3HG1 VAL 16 -2.512 -11.697 -1.668 114 1HG2 VAL 16 1HG2 VAL 16 -3.180 -11.324 -5.788 115 2HG2 VAL 16 2HG2 VAL 16 -3.088 -12.849 -4.874 116 3HG2 VAL 16 3HG2 VAL 16 -4.440 -11.725 -4.595 117 H SER 17 H SER 17 -4.645 -9.867 -5.279 118 HA SER 17 HA SER 17 -5.675 -7.416 -4.161 119 1HB SER 17 1HB SER 17 -5.996 -7.700 -6.546 120 2HB SER 17 2HB SER 17 -6.671 -9.302 -6.333 121 HG SER 17 HG SER 17 -7.877 -6.877 -5.303 122 H ALA 18 H ALA 18 -7.895 -7.381 -3.182 123 HA ALA 18 HA ALA 18 -8.891 -9.938 -2.257 124 1HB ALA 18 1HB ALA 18 -7.866 -9.804 -0.258 125 2HB ALA 18 2HB ALA 18 -7.229 -8.184 -0.630 126 3HB ALA 18 3HB ALA 18 -8.854 -8.360 0.075 127 H CYS 19 H CYS 19 -11.046 -9.637 -1.133 128 HA CYS 19 HA CYS 19 -12.323 -7.218 -2.185 129 1HB CYS 19 1HB CYS 19 -12.938 -9.438 -3.251 130 2HB CYS 19 2HB CYS 19 -13.679 -9.875 -1.725 131 H LEU 20 H LEU 20 -12.134 -5.942 -0.288 132 HA LEU 20 HA LEU 20 -13.478 -7.074 2.066 133 1HB LEU 20 1HB LEU 20 -10.865 -5.777 1.764 134 2HB LEU 20 2HB LEU 20 -11.853 -5.081 3.033 135 HG LEU 20 HG LEU 20 -12.129 -7.369 4.011 136 1HD1 LEU 20 1HD1 LEU 20 -11.636 -9.145 2.773 137 2HD1 LEU 20 2HD1 LEU 20 -10.847 -8.134 1.539 138 3HD1 LEU 20 3HD1 LEU 20 -9.915 -8.722 2.937 139 1HD2 LEU 20 1HD2 LEU 20 -10.253 -5.587 4.516 140 2HD2 LEU 20 2HD2 LEU 20 -10.216 -7.204 5.260 141 3HD2 LEU 20 3HD2 LEU 20 -9.187 -6.848 3.852 142 H HIS 21 H HIS 21 -14.595 -5.428 3.435 143 HA HIS 21 HA HIS 21 -15.784 -3.440 1.669 144 1HB HIS 21 1HB HIS 21 -16.733 -4.473 4.356 145 2HB HIS 21 2HB HIS 21 -17.606 -3.377 3.305 146 HD1 HIS 21 1HD HIS 21 -16.945 -6.972 3.904 147 HD2 HIS 21 2HD HIS 21 -18.549 -4.602 0.836 148 HE1 HIS 21 1HE HIS 21 -18.185 -8.565 2.343 149 H GLU 22 H GLU 22 -16.658 -1.453 3.229 150 HA GLU 22 HA GLU 22 -14.304 -0.076 3.817 151 1HB GLU 22 1HB GLU 22 -17.151 0.478 3.639 152 2HB GLU 22 2HB GLU 22 -16.499 1.248 5.072 153 1HG GLU 22 1HG GLU 22 -16.035 2.901 3.502 154 2HG GLU 22 2HG GLU 22 -14.541 1.989 3.413 155 H SER 23 H SER 23 -16.496 -2.091 5.723 156 HA SER 23 HA SER 23 -15.580 -1.060 8.207 157 1HB SER 23 1HB SER 23 -17.677 -2.806 7.269 158 2HB SER 23 2HB SER 23 -16.776 -3.662 8.505 159 HG SER 23 HG SER 23 -17.070 -1.780 9.912 160 H GLU 24 H GLU 24 -14.033 -2.788 5.858 161 HA GLU 24 HA GLU 24 -12.471 -4.224 7.856 162 1HB GLU 24 1HB GLU 24 -13.995 -5.625 6.212 163 2HB GLU 24 2HB GLU 24 -12.752 -5.270 5.030 164 1HG GLU 24 1HG GLU 24 -12.089 -7.347 6.005 165 2HG GLU 24 2HG GLU 24 -11.039 -6.153 6.742 166 H SER 25 H SER 25 -10.151 -4.474 7.297 167 HA SER 25 HA SER 25 -9.253 -2.892 5.077 168 1HB SER 25 1HB SER 25 -9.265 -1.866 7.797 169 2HB SER 25 2HB SER 25 -7.609 -2.044 7.250 170 HG SER 25 HG SER 25 -7.955 -0.170 6.269 171 H CYS 26 H CYS 26 -7.345 -3.751 4.227 172 HA CYS 26 HA CYS 26 -6.141 -5.887 5.828 173 1HB CYS 26 1HB CYS 26 -5.260 -6.527 3.428 174 2HB CYS 26 2HB CYS 26 -6.829 -7.046 4.013 175 H LEU 27 H LEU 27 -3.687 -6.211 4.840 176 HA LEU 27 HA LEU 27 -2.314 -3.888 5.637 177 1HB LEU 27 1HB LEU 27 -1.697 -6.439 5.671 178 2HB LEU 27 2HB LEU 27 -1.028 -6.099 4.088 179 HG LEU 27 HG LEU 27 -0.219 -4.223 6.236 180 1HD1 LEU 27 1HD1 LEU 27 0.335 -7.162 6.377 181 2HD1 LEU 27 2HD1 LEU 27 1.603 -6.010 6.859 182 3HD1 LEU 27 3HD1 LEU 27 0.023 -5.991 7.680 183 1HD2 LEU 27 1HD2 LEU 27 1.314 -5.705 4.081 184 2HD2 LEU 27 2HD2 LEU 27 0.663 -4.052 3.962 185 3HD2 LEU 27 3HD2 LEU 27 1.954 -4.418 5.131 186 H VAL 28 H VAL 28 -3.459 -2.337 4.167 187 HA VAL 28 HA VAL 28 -3.126 -2.471 1.394 188 HB VAL 28 HB VAL 28 -4.822 -1.121 2.393 189 1HG1 VAL 28 1HG1 VAL 28 -2.842 -0.429 4.267 190 2HG1 VAL 28 2HG1 VAL 28 -3.265 1.087 3.436 191 3HG1 VAL 28 3HG1 VAL 28 -4.534 0.119 4.225 192 1HG2 VAL 28 1HG2 VAL 28 -2.685 0.376 0.882 193 2HG2 VAL 28 2HG2 VAL 28 -4.264 -0.217 0.314 194 3HG2 VAL 28 3HG2 VAL 28 -4.179 1.192 1.399 195 HA PRO 29 HA PRO 29 1.026 -1.311 0.999 196 1HB PRO 29 1HB PRO 29 1.082 -0.663 -1.656 197 2HB PRO 29 2HB PRO 29 1.174 -2.312 -1.069 198 1HG PRO 29 1HG PRO 29 -1.110 -0.918 -2.327 199 2HG PRO 29 2HG PRO 29 -0.848 -2.640 -2.128 200 1HD PRO 29 1HD PRO 29 -2.607 -0.981 -0.584 201 2HD PRO 29 2HD PRO 29 -2.257 -2.677 -0.313 202 H GLY 30 H GLY 30 2.345 0.549 -0.418 203 1HA GLY 30 1HA GLY 30 0.965 3.080 0.073 204 2HA GLY 30 2HA GLY 30 2.417 2.764 1.001 205 H ASP 31 H ASP 31 1.896 4.837 -1.104 206 HA ASP 31 HA ASP 31 3.790 3.915 -3.110 207 1HB ASP 31 1HB ASP 31 2.067 6.426 -3.217 208 2HB ASP 31 2HB ASP 31 2.918 5.670 -4.549 209 H CYS 32 H CYS 32 5.884 4.650 -2.732 210 HA CYS 32 HA CYS 32 6.235 6.930 -0.991 211 1HB CYS 32 1HB CYS 32 7.966 4.719 -1.996 212 2HB CYS 32 2HB CYS 32 8.744 6.226 -1.558 213 H CYS 33 H CYS 33 6.263 8.952 -1.908 214 HA CYS 33 HA CYS 33 7.283 9.129 -4.650 215 1HB CYS 33 1HB CYS 33 5.183 10.778 -3.237 216 2HB CYS 33 2HB CYS 33 5.922 11.255 -4.753 217 H ARG 34 H ARG 34 8.873 10.745 -5.066 218 HA ARG 34 HA ARG 34 9.535 12.530 -2.932 219 1HB ARG 34 1HB ARG 34 10.836 10.195 -2.751 220 2HB ARG 34 2HB ARG 34 11.827 10.876 -4.025 221 1HG ARG 34 1HG ARG 34 11.478 12.936 -2.055 222 2HG ARG 34 2HG ARG 34 11.872 11.467 -1.186 223 1HD ARG 34 1HD ARG 34 14.036 12.108 -1.674 224 2HD ARG 34 2HD ARG 34 13.714 11.260 -3.173 225 HE ARG 34 HE ARG 34 12.794 13.768 -3.766 226 1HH1 ARG 34 1HH1 ARG 34 15.835 12.669 -2.316 227 2HH1 ARG 34 2HH1 ARG 34 16.754 14.000 -2.933 228 1HH2 ARG 34 1HH2 ARG 34 15.659 15.668 -4.263 229 H GLY 35 H GLY 35 10.105 14.492 -3.850 230 1HA GLY 35 1HA GLY 35 10.470 16.007 -5.481 231 2HA GLY 35 2HA GLY 35 11.840 14.990 -5.880 232 H LYS 36 H LYS 36 11.804 13.672 -7.731 233 HA LYS 36 HA LYS 36 9.304 13.776 -9.271 234 1HB LYS 36 1HB LYS 36 10.679 13.970 -11.313 235 2HB LYS 36 2HB LYS 36 10.835 15.357 -10.255 236 1HG LYS 36 1HG LYS 36 12.998 14.657 -9.468 237 2HG LYS 36 2HG LYS 36 12.795 13.035 -10.099 238 1HD LYS 36 1HD LYS 36 12.542 14.355 -12.434 239 2HD LYS 36 2HD LYS 36 13.457 15.579 -11.576 240 1HE LYS 36 1HE LYS 36 15.090 13.642 -10.931 241 2HE LYS 36 2HE LYS 36 14.280 12.711 -12.174 242 1HZ LYS 36 1HZ LYS 36 14.817 14.570 -13.739 243 2HZ LYS 36 2HZ LYS 36 15.704 15.284 -12.576 244 H SER 37 H SER 37 9.525 11.719 -7.562 245 HA SER 37 HA SER 37 9.936 9.553 -9.383 246 1HB SER 37 1HB SER 37 12.179 9.706 -8.434 247 2HB SER 37 2HB SER 37 11.541 9.795 -6.804 248 HG SER 37 HG SER 37 10.947 7.528 -8.475 249 H ARG 38 H ARG 38 8.891 7.542 -8.590 250 HA ARG 38 HA ARG 38 7.443 7.808 -6.131 251 1HB ARG 38 1HB ARG 38 5.867 8.833 -7.717 252 2HB ARG 38 2HB ARG 38 6.059 7.502 -8.841 253 1HG ARG 38 1HG ARG 38 5.179 6.803 -6.051 254 2HG ARG 38 2HG ARG 38 4.013 7.632 -7.063 255 1HD ARG 38 1HD ARG 38 5.429 5.000 -7.690 256 2HD ARG 38 2HD ARG 38 3.722 5.220 -7.359 257 HE ARG 38 HE ARG 38 5.115 5.833 -9.878 258 1HH1 ARG 38 1HH1 ARG 38 2.182 6.349 -7.959 259 2HH1 ARG 38 2HH1 ARG 38 1.214 6.786 -9.328 260 1HH2 ARG 38 1HH2 ARG 38 2.209 6.815 -11.507 261 H LEU 39 H LEU 39 6.616 5.709 -5.362 262 HA LEU 39 HA LEU 39 7.149 3.402 -7.011 263 1HB LEU 39 1HB LEU 39 9.289 4.194 -5.713 264 2HB LEU 39 2HB LEU 39 8.498 3.445 -4.342 265 HG LEU 39 HG LEU 39 8.458 1.293 -5.459 266 1HD1 LEU 39 1HD1 LEU 39 8.324 1.223 -7.676 267 2HD1 LEU 39 2HD1 LEU 39 8.907 2.897 -7.835 268 3HD1 LEU 39 3HD1 LEU 39 10.072 1.557 -7.719 269 1HD2 LEU 39 1HD2 LEU 39 10.478 1.987 -4.193 270 2HD2 LEU 39 2HD2 LEU 39 10.814 0.799 -5.475 271 3HD2 LEU 39 3HD2 LEU 39 11.217 2.514 -5.724 272 H THR 40 H THR 40 6.352 1.370 -5.893 273 HA THR 40 HA THR 40 4.434 1.957 -3.762 274 HB THR 40 HB THR 40 3.809 0.685 -6.478 275 HG1 THR 40 1HG THR 40 2.740 2.663 -6.707 276 1HG2 THR 40 1HG2 THR 40 2.621 -0.298 -4.330 277 2HG2 THR 40 2HG2 THR 40 1.814 1.286 -4.261 278 3HG2 THR 40 3HG2 THR 40 1.606 0.242 -5.687 279 H LEU 41 H LEU 41 4.953 0.674 -2.116 280 HA LEU 41 HA LEU 41 5.297 -2.141 -2.660 281 1HB LEU 41 1HB LEU 41 7.438 -1.008 -0.961 282 2HB LEU 41 2HB LEU 41 7.446 -2.411 -2.012 283 HG LEU 41 HG LEU 41 7.379 0.358 -3.191 284 1HD1 LEU 41 1HD1 LEU 41 9.755 -1.048 -1.984 285 2HD1 LEU 41 2HD1 LEU 41 9.936 0.104 -3.329 286 3HD1 LEU 41 3HD1 LEU 41 9.223 0.638 -1.788 287 1HD2 LEU 41 1HD2 LEU 41 7.679 -0.677 -5.139 288 2HD2 LEU 41 2HD2 LEU 41 9.001 -1.679 -4.496 289 3HD2 LEU 41 3HD2 LEU 41 7.310 -2.193 -4.282 290 H CYS 42 H CYS 42 6.005 -3.058 -0.181 291 HA CYS 42 HA CYS 42 3.834 -1.969 1.446 292 1HB CYS 42 1HB CYS 42 5.079 -4.643 1.961 293 2HB CYS 42 2HB CYS 42 3.466 -4.070 2.337 294 H SER 43 H SER 43 4.505 -0.719 3.154 295 HA SER 43 HA SER 43 6.695 -1.593 4.729 296 1HB SER 43 1HB SER 43 6.955 0.849 2.954 297 2HB SER 43 2HB SER 43 7.803 0.786 4.485 298 HG SER 43 HG SER 43 8.367 -1.549 3.436 299 H TYR 44 H TYR 44 5.898 -1.289 6.774 300 HA TYR 44 HA TYR 44 4.145 1.037 7.185 301 1HB TYR 44 1HB TYR 44 4.424 -1.772 8.404 302 2HB TYR 44 2HB TYR 44 3.458 -0.539 9.189 303 HD1 TYR 44 1HD TYR 44 1.184 -0.817 8.882 304 HD2 TYR 44 2HD TYR 44 3.825 -1.804 5.665 305 HE1 TYR 44 1HE TYR 44 -0.806 -1.466 7.439 306 HE2 TYR 44 2HE TYR 44 1.826 -2.449 4.232 307 HH TYR 44 HH TYR 44 -1.453 -1.869 5.348 308 H GLY 45 H GLY 45 4.093 1.463 9.784 309 1HA GLY 45 1HA GLY 45 6.748 2.396 10.384 310 2HA GLY 45 2HA GLY 45 5.285 2.642 11.317 311 H GLU 46 H GLU 46 7.084 -0.325 10.214 312 HA GLU 46 HA GLU 46 7.804 -2.069 11.287 313 1HB GLU 46 1HB GLU 46 8.559 0.170 12.954 314 2HB GLU 46 2HB GLU 46 8.183 -1.191 13.991 315 1HG GLU 46 1HG GLU 46 10.215 -1.093 11.724 316 2HG GLU 46 2HG GLU 46 10.527 -1.367 13.426 317 H GLY 47 H GLY 47 4.850 -0.915 11.644 318 1HA GLY 47 1HA GLY 47 3.882 -3.210 13.064 319 2HA GLY 47 2HA GLY 47 3.704 -1.730 13.987 320 H GLY 48 H GLY 48 2.034 -0.310 13.514 321 1HA GLY 48 1HA GLY 48 0.650 -0.627 10.940 322 2HA GLY 48 2HA GLY 48 -0.255 -0.841 12.425 323 H ASN 49 H ASN 49 2.321 1.483 11.309 324 HA ASN 49 HA ASN 49 0.523 3.595 12.209 325 1HB ASN 49 1HB ASN 49 2.969 3.117 13.270 326 2HB ASN 49 2HB ASN 49 3.495 4.060 11.890 327 1HD2 ASN 49 1HD2 ASN 49 3.872 4.887 14.491 328 2HD2 ASN 49 2HD2 ASN 49 2.926 6.299 14.822 329 H GLY 50 H GLY 50 -0.448 3.724 10.035 330 1HA GLY 50 1HA GLY 50 -0.586 4.318 7.866 331 2HA GLY 50 2HA GLY 50 0.544 5.582 8.309 332 H PHE 51 H PHE 51 2.529 5.609 7.323 333 HA PHE 51 HA PHE 51 3.523 3.067 6.274 334 1HB PHE 51 1HB PHE 51 2.287 4.965 4.709 335 2HB PHE 51 2HB PHE 51 3.898 5.654 4.741 336 HD1 PHE 51 1HD PHE 51 5.074 5.200 2.824 337 HD2 PHE 51 2HD PHE 51 2.540 2.184 4.400 338 HE1 PHE 51 1HE PHE 51 5.777 3.648 0.981 339 HE2 PHE 51 2HE PHE 51 3.241 0.631 2.557 340 HZ PHE 51 HZ PHE 51 4.851 1.381 0.869 341 H GLN 52 H GLN 52 5.896 3.166 5.733 342 HA GLN 52 HA GLN 52 7.207 5.269 7.263 343 1HB GLN 52 1HB GLN 52 7.072 3.065 8.532 344 2HB GLN 52 2HB GLN 52 8.060 2.342 7.277 345 1HG GLN 52 1HG GLN 52 9.502 3.037 9.134 346 2HG GLN 52 2HG GLN 52 9.862 4.021 7.729 347 1HE2 GLN 52 1HE2 GLN 52 10.191 6.045 8.188 348 2HE2 GLN 52 2HE2 GLN 52 9.395 7.000 9.395 349 H CYS 53 H CYS 53 7.160 6.015 4.841 350 HA CYS 53 HA CYS 53 8.527 4.771 2.856 351 1HB CYS 53 1HB CYS 53 7.869 7.576 3.517 352 2HB CYS 53 2HB CYS 53 9.185 7.365 2.381 353 HA PRO 54 HA PRO 54 12.640 4.787 4.328 354 1HB PRO 54 1HB PRO 54 13.939 4.039 2.043 355 2HB PRO 54 2HB PRO 54 13.154 2.898 3.116 356 1HG PRO 54 1HG PRO 54 12.251 3.882 0.479 357 2HG PRO 54 2HG PRO 54 11.726 2.460 1.360 358 1HD PRO 54 1HD PRO 54 10.312 4.943 1.108 359 2HD PRO 54 2HD PRO 54 9.842 3.564 2.081 360 H THR 55 H THR 55 14.973 5.558 3.594 361 HA THR 55 HA THR 55 14.758 8.350 3.521 362 HB THR 55 HB THR 55 16.656 6.770 4.378 363 HG1 THR 55 1HG THR 55 17.484 8.819 4.414 364 1HG2 THR 55 1HG2 THR 55 17.703 7.251 1.555 365 2HG2 THR 55 2HG2 THR 55 18.419 6.242 2.835 366 3HG2 THR 55 3HG2 THR 55 16.938 5.708 2.005 367 H GLY 56 H GLY 56 14.693 9.860 1.944 368 1HA GLY 56 1HA GLY 56 14.901 10.732 -0.154 369 2HA GLY 56 2HA GLY 56 15.438 9.179 -0.765 370 H TYR 57 H TYR 57 12.658 8.701 1.152 371 HA TYR 57 HA TYR 57 10.881 9.043 -1.162 372 1HB TYR 57 1HB TYR 57 11.486 6.678 0.690 373 2HB TYR 57 2HB TYR 57 9.907 6.789 -0.063 374 HD1 TYR 57 1HD TYR 57 10.002 7.230 -2.719 375 HD2 TYR 57 2HD TYR 57 13.117 5.437 -0.398 376 HE1 TYR 57 1HE TYR 57 10.926 6.115 -4.808 377 HE2 TYR 57 2HE TYR 57 14.031 4.328 -2.495 378 HH TYR 57 HH TYR 57 13.404 5.274 -5.452 379 H ARG 58 H ARG 58 8.726 9.596 -0.672 380 HA ARG 58 HA ARG 58 8.079 9.764 2.133 381 1HB ARG 58 1HB ARG 58 8.928 12.034 0.686 382 2HB ARG 58 2HB ARG 58 7.181 12.170 0.679 383 1HG ARG 58 1HG ARG 58 7.110 12.696 2.894 384 2HG ARG 58 2HG ARG 58 8.163 11.363 3.326 385 1HD ARG 58 1HD ARG 58 9.749 12.936 3.778 386 2HD ARG 58 2HD ARG 58 9.919 13.122 2.044 387 HE ARG 58 HE ARG 58 7.737 14.737 2.696 388 1HH1 ARG 58 1HH1 ARG 58 11.119 14.564 3.735 389 2HH1 ARG 58 2HH1 ARG 58 11.226 16.256 4.092 390 1HH2 ARG 58 1HH2 ARG 58 9.308 17.650 3.749 391 H GLN 59 H GLN 59 6.012 8.968 2.424 392 HA GLN 59 HA GLN 59 4.523 7.823 0.597 393 1HB GLN 59 1HB GLN 59 4.151 8.645 3.262 394 2HB GLN 59 2HB GLN 59 2.763 9.308 2.423 395 1HG GLN 59 1HG GLN 59 3.524 6.466 1.785 396 2HG GLN 59 2HG GLN 59 2.811 6.769 3.356 397 1HE2 GLN 59 1HE2 GLN 59 0.873 8.327 3.267 398 2HE2 GLN 59 2HE2 GLN 59 -0.328 7.994 2.065 399 H CYS 60 H CYS 60 2.868 8.310 -0.919 400 HA CYS 60 HA CYS 60 3.035 10.958 -1.974 401 1HB CYS 60 1HB CYS 60 2.460 8.409 -2.987 402 2HB CYS 60 2HB CYS 60 0.963 9.305 -3.148
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