NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
5379 | 1ha9 | 5176 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 1 H SER 1 4.627 0.522 -0.925 2 HA SER 1 HA SER 1 2.152 1.989 -0.944 3 1HB SER 1 1HB SER 1 4.416 2.839 -0.169 4 2HB SER 1 2HB SER 1 4.838 3.047 -1.881 5 HG SER 1 HG SER 1 3.936 4.955 -1.314 6 H GLY 2 H GLY 2 0.788 2.470 -2.532 7 1HA GLY 2 1HA GLY 2 -0.092 2.239 -4.762 8 2HA GLY 2 2HA GLY 2 1.529 2.035 -5.393 9 H SER 3 H SER 3 1.701 4.548 -3.253 10 HA SER 3 HA SER 3 2.002 6.747 -3.279 11 1HB SER 3 1HB SER 3 2.351 6.458 -6.271 12 2HB SER 3 2HB SER 3 2.807 7.862 -5.296 13 HG SER 3 HG SER 3 4.573 6.426 -5.646 14 H ASP 4 H ASP 4 -0.335 5.967 -5.856 15 HA ASP 4 HA ASP 4 -1.588 8.513 -6.038 16 1HB ASP 4 1HB ASP 4 -1.777 6.664 -7.676 17 2HB ASP 4 2HB ASP 4 -2.741 5.739 -6.525 18 H GLY 5 H GLY 5 -2.132 5.902 -3.746 19 1HA GLY 5 1HA GLY 5 -3.734 5.646 -2.029 20 2HA GLY 5 2HA GLY 5 -4.475 7.184 -2.457 21 H GLY 6 H GLY 6 -1.235 7.842 -2.285 22 1HA GLY 6 1HA GLY 6 -1.196 8.459 0.653 23 2HA GLY 6 2HA GLY 6 -0.419 9.446 -0.590 24 H VAL 7 H VAL 7 1.135 8.770 1.390 25 HA VAL 7 HA VAL 7 3.101 6.786 0.402 26 HB VAL 7 HB VAL 7 3.134 8.488 2.937 27 1HG1 VAL 7 1HG1 VAL 7 5.322 6.831 1.592 28 2HG1 VAL 7 2HG1 VAL 7 5.563 7.944 2.954 29 3HG1 VAL 7 3HG1 VAL 7 4.583 6.497 3.174 30 1HG2 VAL 7 1HG2 VAL 7 4.545 8.874 0.260 31 2HG2 VAL 7 2HG2 VAL 7 3.254 9.901 0.921 32 3HG2 VAL 7 3HG2 VAL 7 4.821 9.840 1.728 33 H CYS 8 H CYS 8 2.643 4.650 0.787 34 HA CYS 8 HA CYS 8 1.277 3.864 3.280 35 1HB CYS 8 1HB CYS 8 1.073 2.537 1.107 36 2HB CYS 8 2HB CYS 8 2.740 2.028 1.385 37 HA PRO 9 HA PRO 9 5.079 3.464 5.794 38 1HB PRO 9 1HB PRO 9 3.247 1.384 7.024 39 2HB PRO 9 2HB PRO 9 4.383 2.500 7.850 40 1HG PRO 9 1HG PRO 9 1.761 3.124 7.715 41 2HG PRO 9 2HG PRO 9 2.988 4.386 7.370 42 1HD PRO 9 1HD PRO 9 1.305 2.819 5.422 43 2HD PRO 9 2HD PRO 9 1.831 4.537 5.361 44 H LYS 10 H LYS 10 3.869 1.043 3.719 45 HA LYS 10 HA LYS 10 4.690 -0.905 2.784 46 1HB LYS 10 1HB LYS 10 7.218 0.693 3.259 47 2HB LYS 10 2HB LYS 10 7.188 -0.782 2.300 48 1HG LYS 10 1HG LYS 10 5.851 0.103 0.624 49 2HG LYS 10 2HG LYS 10 5.274 1.453 1.596 50 1HD LYS 10 1HD LYS 10 8.174 1.137 0.709 51 2HD LYS 10 2HD LYS 10 6.956 2.044 -0.201 52 1HE LYS 10 1HE LYS 10 6.564 3.525 1.747 53 2HE LYS 10 2HE LYS 10 7.773 2.639 2.679 54 1HZ LYS 10 1HZ LYS 10 8.333 4.156 0.185 55 2HZ LYS 10 2HZ LYS 10 8.723 4.638 1.695 56 3HZ LYS 10 3HZ LYS 10 9.449 3.328 1.048 57 H ILE 11 H ILE 11 3.848 -1.907 4.822 58 HA ILE 11 HA ILE 11 5.831 -3.311 6.477 59 HB ILE 11 HB ILE 11 3.886 -4.475 7.422 60 1HG1 ILE 11 1HG1 ILE 11 2.122 -2.728 5.638 61 2HG1 ILE 11 2HG1 ILE 11 2.395 -4.453 5.399 62 1HG2 ILE 11 1HG2 ILE 11 4.744 -2.297 8.302 63 2HG2 ILE 11 2HG2 ILE 11 3.496 -1.451 7.361 64 3HG2 ILE 11 3HG2 ILE 11 3.041 -2.567 8.663 65 1HD1 ILE 11 1HD1 ILE 11 1.446 -4.891 7.687 66 2HD1 ILE 11 2HD1 ILE 11 0.991 -3.171 7.763 67 3HD1 ILE 11 3HD1 ILE 11 0.301 -4.218 6.513 68 H LEU 12 H LEU 12 6.263 -5.453 6.391 69 HA LEU 12 HA LEU 12 6.187 -6.768 3.758 70 1HB LEU 12 1HB LEU 12 7.514 -7.533 6.388 71 2HB LEU 12 2HB LEU 12 7.524 -8.548 4.945 72 HG LEU 12 HG LEU 12 8.634 -6.726 3.651 73 1HD1 LEU 12 1HD1 LEU 12 8.969 -5.447 6.403 74 2HD1 LEU 12 2HD1 LEU 12 9.943 -5.037 4.974 75 3HD1 LEU 12 3HD1 LEU 12 8.217 -4.715 4.960 76 1HD2 LEU 12 1HD2 LEU 12 9.850 -8.646 4.609 77 2HD2 LEU 12 2HD2 LEU 12 10.849 -7.188 4.617 78 3HD2 LEU 12 3HD2 LEU 12 10.090 -7.748 6.125 79 H LYS 13 H LYS 13 3.649 -6.483 4.623 80 HA LYS 13 HA LYS 13 2.580 -9.057 5.646 81 1HB LYS 13 1HB LYS 13 1.561 -6.857 6.232 82 2HB LYS 13 2HB LYS 13 1.124 -6.614 4.534 83 1HG LYS 13 1HG LYS 13 -0.274 -8.678 4.621 84 2HG LYS 13 2HG LYS 13 0.218 -8.930 6.308 85 1HD LYS 13 1HD LYS 13 -0.807 -6.684 6.864 86 2HD LYS 13 2HD LYS 13 -1.407 -6.604 5.190 87 1HE LYS 13 1HE LYS 13 -2.578 -8.800 5.572 88 2HE LYS 13 2HE LYS 13 -2.033 -8.767 7.256 89 1HZ LYS 13 1HZ LYS 13 -3.290 -6.664 7.512 90 2HZ LYS 13 2HZ LYS 13 -3.810 -6.781 5.954 91 3HZ LYS 13 3HZ LYS 13 -4.277 -7.887 7.065 92 H LYS 14 H LYS 14 2.571 -10.764 4.276 93 HA LYS 14 HA LYS 14 2.517 -10.541 1.388 94 1HB LYS 14 1HB LYS 14 2.225 -12.954 1.363 95 2HB LYS 14 2HB LYS 14 3.568 -12.449 2.378 96 1HG LYS 14 1HG LYS 14 2.203 -12.840 4.419 97 2HG LYS 14 2HG LYS 14 0.824 -13.290 3.407 98 1HD LYS 14 1HD LYS 14 1.872 -15.296 4.225 99 2HD LYS 14 2HD LYS 14 2.120 -15.193 2.477 100 1HE LYS 14 1HE LYS 14 4.427 -14.333 2.859 101 2HE LYS 14 2HE LYS 14 4.164 -14.400 4.606 102 1HZ LYS 14 1HZ LYS 14 4.124 -16.749 2.786 103 2HZ LYS 14 2HZ LYS 14 5.341 -16.365 3.802 104 3HZ LYS 14 3HZ LYS 14 3.892 -16.813 4.403 105 H CYS 15 H CYS 15 0.844 -10.900 0.037 106 HA CYS 15 HA CYS 15 -1.969 -10.970 1.081 107 1HB CYS 15 1HB CYS 15 -2.540 -8.934 -0.183 108 2HB CYS 15 2HB CYS 15 -1.357 -8.645 1.044 109 H ARG 16 H ARG 16 -3.596 -10.909 -0.596 110 HA ARG 16 HA ARG 16 -2.942 -12.335 -3.157 111 1HB ARG 16 1HB ARG 16 -4.095 -13.745 -1.466 112 2HB ARG 16 2HB ARG 16 -5.395 -12.556 -1.358 113 1HG ARG 16 1HG ARG 16 -5.998 -12.997 -3.736 114 2HG ARG 16 2HG ARG 16 -4.636 -14.123 -3.869 115 1HD ARG 16 1HD ARG 16 -6.672 -15.385 -3.546 116 2HD ARG 16 2HD ARG 16 -5.658 -15.544 -2.102 117 HE ARG 16 HE ARG 16 -7.552 -13.365 -1.822 118 1HH1 ARG 16 1HH1 ARG 16 -9.263 -13.502 -0.442 119 2HH1 ARG 16 2HH1 ARG 16 -9.819 -15.063 0.096 120 1HH2 ARG 16 1HH2 ARG 16 -7.470 -16.858 -1.638 121 2HH2 ARG 16 2HH2 ARG 16 -8.834 -16.916 -0.551 122 H ARG 17 H ARG 17 -4.683 -9.719 -1.568 123 HA ARG 17 HA ARG 17 -4.953 -8.359 -4.148 124 1HB ARG 17 1HB ARG 17 -7.121 -9.763 -3.630 125 2HB ARG 17 2HB ARG 17 -7.415 -8.522 -2.405 126 1HG ARG 17 1HG ARG 17 -8.700 -8.195 -4.431 127 2HG ARG 17 2HG ARG 17 -7.695 -6.817 -4.067 128 1HD ARG 17 1HD ARG 17 -6.823 -8.978 -6.049 129 2HD ARG 17 2HD ARG 17 -7.910 -7.683 -6.531 130 HE ARG 17 HE ARG 17 -6.164 -6.014 -6.001 131 1HH1 ARG 17 1HH1 ARG 17 -4.247 -5.347 -6.384 132 2HH1 ARG 17 2HH1 ARG 17 -2.969 -6.421 -6.929 133 1HH2 ARG 17 1HH2 ARG 17 -4.920 -9.257 -6.605 134 2HH2 ARG 17 2HH2 ARG 17 -3.381 -8.604 -7.092 135 H ASP 18 H ASP 18 -6.071 -6.195 -3.746 136 HA ASP 18 HA ASP 18 -4.225 -4.668 -2.086 137 1HB ASP 18 1HB ASP 18 -6.753 -3.645 -3.430 138 2HB ASP 18 2HB ASP 18 -5.351 -2.697 -2.907 139 H SER 19 H SER 19 -7.492 -5.833 -1.593 140 HA SER 19 HA SER 19 -8.258 -4.241 0.664 141 1HB SER 19 1HB SER 19 -9.105 -7.071 -0.068 142 2HB SER 19 2HB SER 19 -9.958 -5.959 1.019 143 HG SER 19 HG SER 19 -10.862 -5.940 -1.086 144 H ASP 20 H ASP 20 -6.060 -6.893 0.357 145 HA ASP 20 HA ASP 20 -5.987 -7.709 3.187 146 1HB ASP 20 1HB ASP 20 -3.970 -7.923 0.946 147 2HB ASP 20 2HB ASP 20 -3.688 -8.644 2.478 148 H CYS 21 H CYS 21 -4.632 -5.006 1.412 149 HA CYS 21 HA CYS 21 -2.455 -4.611 3.355 150 1HB CYS 21 1HB CYS 21 -3.126 -3.275 0.706 151 2HB CYS 21 2HB CYS 21 -1.667 -2.993 1.646 152 HA PRO 22 HA PRO 22 -4.276 -1.117 5.415 153 1HB PRO 22 1HB PRO 22 -2.113 0.416 6.105 154 2HB PRO 22 2HB PRO 22 -2.452 -1.184 6.835 155 1HG PRO 22 1HG PRO 22 -0.588 -0.553 4.528 156 2HG PRO 22 2HG PRO 22 -0.231 -1.510 6.001 157 1HD PRO 22 1HD PRO 22 -0.929 -2.700 3.667 158 2HD PRO 22 2HD PRO 22 -1.523 -3.338 5.227 159 H GLY 23 H GLY 23 -4.625 1.140 5.305 160 1HA GLY 23 1HA GLY 23 -4.599 3.319 4.275 161 2HA GLY 23 2HA GLY 23 -5.858 2.353 3.531 162 H ALA 24 H ALA 24 -2.463 3.336 3.099 163 HA ALA 24 HA ALA 24 -3.050 4.156 0.334 164 1HB ALA 24 1HB ALA 24 -0.629 4.570 2.128 165 2HB ALA 24 2HB ALA 24 -0.906 5.335 0.551 166 3HB ALA 24 3HB ALA 24 -1.983 5.698 1.908 167 H CYS 25 H CYS 25 -1.791 1.280 1.624 168 HA CYS 25 HA CYS 25 0.186 0.760 -0.482 169 1HB CYS 25 1HB CYS 25 -1.002 -0.894 1.747 170 2HB CYS 25 2HB CYS 25 -0.118 -1.637 0.433 171 H ILE 26 H ILE 26 0.029 -1.098 -1.769 172 HA ILE 26 HA ILE 26 -2.609 -2.099 -2.723 173 HB ILE 26 HB ILE 26 -1.575 -2.253 -5.010 174 1HG1 ILE 26 1HG1 ILE 26 0.464 -0.199 -4.089 175 2HG1 ILE 26 2HG1 ILE 26 0.840 -1.916 -4.118 176 1HG2 ILE 26 1HG2 ILE 26 -3.213 -0.494 -4.389 177 2HG2 ILE 26 2HG2 ILE 26 -1.877 0.593 -3.955 178 3HG2 ILE 26 3HG2 ILE 26 -2.089 0.056 -5.635 179 1HD1 ILE 26 1HD1 ILE 26 -0.051 -0.363 -6.568 180 2HD1 ILE 26 2HD1 ILE 26 1.618 -0.731 -6.132 181 3HD1 ILE 26 3HD1 ILE 26 0.509 -2.071 -6.494 182 H CYS 27 H CYS 27 -2.323 -4.249 -3.759 183 HA CYS 27 HA CYS 27 -0.187 -5.861 -2.440 184 1HB CYS 27 1HB CYS 27 -2.531 -6.584 -2.329 185 2HB CYS 27 2HB CYS 27 -2.548 -6.808 -4.087 186 H ARG 28 H ARG 28 1.637 -5.619 -3.454 187 HA ARG 28 HA ARG 28 2.024 -4.763 -6.176 188 1HB ARG 28 1HB ARG 28 3.942 -5.922 -4.096 189 2HB ARG 28 2HB ARG 28 4.459 -5.115 -5.562 190 1HG ARG 28 1HG ARG 28 2.780 -3.733 -3.415 191 2HG ARG 28 2HG ARG 28 4.534 -3.773 -3.385 192 1HD ARG 28 1HD ARG 28 2.949 -2.690 -5.735 193 2HD ARG 28 2HD ARG 28 3.496 -1.689 -4.378 194 HE ARG 28 HE ARG 28 5.831 -2.842 -5.113 195 1HH1 ARG 28 1HH1 ARG 28 7.319 -2.193 -6.590 196 2HH1 ARG 28 2HH1 ARG 28 6.827 -1.222 -7.947 197 1HH2 ARG 28 1HH2 ARG 28 3.512 -1.134 -7.108 198 2HH2 ARG 28 2HH2 ARG 28 4.739 -0.644 -8.244 199 H GLY 29 H GLY 29 3.717 -5.985 -7.486 200 1HA GLY 29 1HA GLY 29 3.923 -7.629 -9.136 201 2HA GLY 29 2HA GLY 29 2.397 -8.310 -8.574 202 H ASN 30 H ASN 30 4.881 -8.033 -6.231 203 HA ASN 30 HA ASN 30 5.894 -10.799 -6.523 204 1HB ASN 30 1HB ASN 30 7.476 -10.254 -4.874 205 2HB ASN 30 2HB ASN 30 7.362 -8.829 -5.902 206 2HD2 ASN 30 2HD2 ASN 30 8.322 -9.051 -3.088 207 1HD2 ASN 30 1HD2 ASN 30 7.269 -7.958 -2.196 208 H GLY 31 H GLY 31 3.076 -9.587 -5.178 209 1HA GLY 31 1HA GLY 31 2.626 -12.046 -3.615 210 2HA GLY 31 2HA GLY 31 1.448 -10.801 -4.010 211 H TYR 32 H TYR 32 3.388 -8.702 -2.869 212 HA TYR 32 HA TYR 32 2.545 -8.983 -0.017 213 1HB TYR 32 1HB TYR 32 5.248 -8.270 -1.138 214 2HB TYR 32 2HB TYR 32 4.749 -7.642 0.411 215 HD1 TYR 32 HD1 TYR 32 5.005 -8.861 2.364 216 HD2 TYR 32 HD2 TYR 32 5.352 -10.875 -1.419 217 HE1 TYR 32 HE1 TYR 32 6.060 -10.798 3.514 218 HE2 TYR 32 HE2 TYR 32 6.307 -12.873 -0.264 219 HH TYR 32 HH TYR 32 6.971 -12.891 3.255 220 H CYS 33 H CYS 33 2.310 -6.992 1.121 221 HA CYS 33 HA CYS 33 1.104 -4.892 -0.420 222 1HB CYS 33 1HB CYS 33 1.937 -5.047 2.492 223 2HB CYS 33 2HB CYS 33 0.952 -3.756 1.798 224 H GLY 34 H GLY 34 1.789 -2.833 -0.908 225 1HA GLY 34 1HA GLY 34 4.408 -2.152 -1.542 226 2HA GLY 34 2HA GLY 34 4.212 -1.634 0.143 No H/Q in entry = 226 Start of MODEL 2 1 H SER 1 H SER 1 4.411 0.651 -0.819 2 HA SER 1 HA SER 1 2.165 2.257 -1.176 3 1HB SER 1 1HB SER 1 4.979 2.711 -2.245 4 2HB SER 1 2HB SER 1 3.755 3.964 -1.965 5 HG SER 1 HG SER 1 5.353 3.628 -0.241 6 H GLY 2 H GLY 2 0.812 2.698 -2.829 7 1HA GLY 2 1HA GLY 2 -0.060 1.996 -5.052 8 2HA GLY 2 2HA GLY 2 1.594 2.001 -5.655 9 H SER 3 H SER 3 1.090 3.492 -7.296 10 HA SER 3 HA SER 3 1.624 6.182 -6.759 11 1HB SER 3 1HB SER 3 0.245 5.039 -9.218 12 2HB SER 3 2HB SER 3 1.110 6.584 -9.115 13 HG SER 3 HG SER 3 2.424 4.903 -9.983 14 H ASP 4 H ASP 4 -1.543 4.662 -7.194 15 HA ASP 4 HA ASP 4 -3.017 7.216 -6.883 16 1HB ASP 4 1HB ASP 4 -3.684 5.413 -8.493 17 2HB ASP 4 2HB ASP 4 -4.016 4.353 -7.124 18 H GLY 5 H GLY 5 -1.680 4.897 -4.787 19 1HA GLY 5 1HA GLY 5 -2.304 4.023 -2.689 20 2HA GLY 5 2HA GLY 5 -3.751 5.021 -2.673 21 H GLY 6 H GLY 6 -0.259 5.797 -2.994 22 1HA GLY 6 1HA GLY 6 -0.444 7.642 -0.622 23 2HA GLY 6 2HA GLY 6 0.502 8.003 -2.069 24 H VAL 7 H VAL 7 1.695 8.187 0.281 25 HA VAL 7 HA VAL 7 3.844 6.225 0.344 26 HB VAL 7 HB VAL 7 4.461 7.421 2.527 27 1HG1 VAL 7 1HG1 VAL 7 5.583 7.760 0.376 28 2HG1 VAL 7 2HG1 VAL 7 4.366 8.967 -0.092 29 3HG1 VAL 7 3HG1 VAL 7 5.461 9.281 1.272 30 1HG2 VAL 7 1HG2 VAL 7 2.251 8.587 2.954 31 2HG2 VAL 7 2HG2 VAL 7 3.638 9.675 2.866 32 3HG2 VAL 7 3HG2 VAL 7 2.530 9.557 1.492 33 H CYS 8 H CYS 8 3.173 4.192 0.776 34 HA CYS 8 HA CYS 8 1.693 3.656 3.269 35 1HB CYS 8 1HB CYS 8 1.388 2.305 1.131 36 2HB CYS 8 2HB CYS 8 3.003 1.662 1.421 37 HA PRO 9 HA PRO 9 5.481 3.130 5.764 38 1HB PRO 9 1HB PRO 9 3.533 1.189 7.044 39 2HB PRO 9 2HB PRO 9 4.748 2.239 7.845 40 1HG PRO 9 1HG PRO 9 2.178 3.050 7.701 41 2HG PRO 9 2HG PRO 9 3.493 4.212 7.332 42 1HD PRO 9 1HD PRO 9 1.673 2.769 5.420 43 2HD PRO 9 2HD PRO 9 2.381 4.418 5.301 44 H LYS 10 H LYS 10 4.262 0.805 3.654 45 HA LYS 10 HA LYS 10 4.952 -1.232 2.800 46 1HB LYS 10 1HB LYS 10 7.539 0.280 3.228 47 2HB LYS 10 2HB LYS 10 7.460 -1.249 2.349 48 1HG LYS 10 1HG LYS 10 6.058 -0.358 0.640 49 2HG LYS 10 2HG LYS 10 5.729 1.110 1.556 50 1HD LYS 10 1HD LYS 10 7.307 1.607 -0.212 51 2HD LYS 10 2HD LYS 10 8.093 1.801 1.360 52 1HE LYS 10 1HE LYS 10 9.125 -0.461 1.103 53 2HE LYS 10 2HE LYS 10 8.343 -0.632 -0.475 54 1HZ LYS 10 1HZ LYS 10 9.624 1.304 -1.234 55 2HZ LYS 10 2HZ LYS 10 10.343 1.455 0.227 56 3HZ LYS 10 3HZ LYS 10 10.634 0.142 -0.693 57 H ILE 11 H ILE 11 4.053 -2.230 4.744 58 HA ILE 11 HA ILE 11 5.905 -3.598 6.559 59 HB ILE 11 HB ILE 11 3.877 -4.726 7.385 60 1HG1 ILE 11 1HG1 ILE 11 2.304 -3.051 5.363 61 2HG1 ILE 11 2HG1 ILE 11 2.568 -4.791 5.253 62 1HG2 ILE 11 1HG2 ILE 11 4.669 -2.513 8.250 63 2HG2 ILE 11 2HG2 ILE 11 3.502 -1.704 7.181 64 3HG2 ILE 11 3HG2 ILE 11 2.939 -2.775 8.480 65 1HD1 ILE 11 1HD1 ILE 11 1.404 -5.046 7.490 66 2HD1 ILE 11 2HD1 ILE 11 0.959 -3.328 7.371 67 3HD1 ILE 11 3HD1 ILE 11 0.388 -4.479 6.152 68 H LEU 12 H LEU 12 6.109 -5.828 6.673 69 HA LEU 12 HA LEU 12 6.481 -7.186 4.087 70 1HB LEU 12 1HB LEU 12 7.226 -7.953 6.938 71 2HB LEU 12 2HB LEU 12 7.478 -8.996 5.538 72 HG LEU 12 HG LEU 12 8.910 -7.268 4.470 73 1HD1 LEU 12 1HD1 LEU 12 8.728 -5.903 7.193 74 2HD1 LEU 12 2HD1 LEU 12 9.997 -5.586 5.991 75 3HD1 LEU 12 3HD1 LEU 12 8.327 -5.197 5.604 76 1HD2 LEU 12 1HD2 LEU 12 9.816 -9.198 5.713 77 2HD2 LEU 12 2HD2 LEU 12 10.858 -7.779 5.883 78 3HD2 LEU 12 3HD2 LEU 12 9.781 -8.253 7.218 79 H LYS 13 H LYS 13 3.709 -6.765 5.234 80 HA LYS 13 HA LYS 13 2.535 -9.377 5.731 81 1HB LYS 13 1HB LYS 13 1.591 -7.155 6.432 82 2HB LYS 13 2HB LYS 13 1.181 -6.832 4.738 83 1HG LYS 13 1HG LYS 13 -0.258 -8.871 4.731 84 2HG LYS 13 2HG LYS 13 0.197 -9.184 6.419 85 1HD LYS 13 1HD LYS 13 -0.783 -6.935 7.030 86 2HD LYS 13 2HD LYS 13 -1.329 -6.772 5.345 87 1HE LYS 13 1HE LYS 13 -2.564 -8.962 5.617 88 2HE LYS 13 2HE LYS 13 -2.106 -8.964 7.328 89 1HZ LYS 13 1HZ LYS 13 -3.314 -6.826 7.540 90 2HZ LYS 13 2HZ LYS 13 -3.751 -6.916 5.955 91 3HZ LYS 13 3HZ LYS 13 -4.312 -8.016 7.028 92 H LYS 14 H LYS 14 2.387 -10.958 4.272 93 HA LYS 14 HA LYS 14 2.546 -10.631 1.395 94 1HB LYS 14 1HB LYS 14 1.693 -12.972 3.157 95 2HB LYS 14 2HB LYS 14 1.727 -13.028 1.392 96 1HG LYS 14 1HG LYS 14 4.151 -12.452 1.421 97 2HG LYS 14 2HG LYS 14 4.126 -12.541 3.197 98 1HD LYS 14 1HD LYS 14 3.363 -14.930 3.028 99 2HD LYS 14 2HD LYS 14 3.391 -14.791 1.266 100 1HE LYS 14 1HE LYS 14 5.402 -15.889 1.834 101 2HE LYS 14 2HE LYS 14 5.853 -14.239 1.399 102 1HZ LYS 14 1HZ LYS 14 5.960 -13.736 3.799 103 2HZ LYS 14 2HZ LYS 14 5.563 -15.279 4.173 104 3HZ LYS 14 3HZ LYS 14 6.974 -14.956 3.421 105 H CYS 15 H CYS 15 0.902 -10.827 -0.054 106 HA CYS 15 HA CYS 15 -1.958 -10.883 0.858 107 1HB CYS 15 1HB CYS 15 -2.506 -8.847 -0.370 108 2HB CYS 15 2HB CYS 15 -1.303 -8.539 0.841 109 H ARG 16 H ARG 16 -3.502 -10.836 -0.877 110 HA ARG 16 HA ARG 16 -2.680 -11.969 -3.523 111 1HB ARG 16 1HB ARG 16 -3.587 -13.742 -2.042 112 2HB ARG 16 2HB ARG 16 -5.044 -12.793 -1.787 113 1HG ARG 16 1HG ARG 16 -5.476 -14.606 -3.296 114 2HG ARG 16 2HG ARG 16 -5.691 -13.094 -4.158 115 1HD ARG 16 1HD ARG 16 -3.119 -14.731 -4.288 116 2HD ARG 16 2HD ARG 16 -4.495 -15.023 -5.363 117 HE ARG 16 HE ARG 16 -3.977 -12.287 -5.581 118 1HH1 ARG 16 1HH1 ARG 16 -2.801 -11.330 -7.147 119 2HH1 ARG 16 2HH1 ARG 16 -1.608 -12.239 -8.038 120 1HH2 ARG 16 1HH2 ARG 16 -2.166 -15.182 -6.355 121 2HH2 ARG 16 2HH2 ARG 16 -1.246 -14.374 -7.599 122 H ARG 17 H ARG 17 -4.623 -9.714 -1.725 123 HA ARG 17 HA ARG 17 -5.475 -8.341 -4.225 124 1HB ARG 17 1HB ARG 17 -7.792 -8.066 -3.352 125 2HB ARG 17 2HB ARG 17 -7.386 -9.739 -3.745 126 1HG ARG 17 1HG ARG 17 -7.035 -10.225 -1.329 127 2HG ARG 17 2HG ARG 17 -7.392 -8.542 -0.932 128 1HD ARG 17 1HD ARG 17 -9.354 -9.905 -0.501 129 2HD ARG 17 2HD ARG 17 -9.677 -8.811 -1.845 130 HE ARG 17 HE ARG 17 -9.958 -10.623 -3.254 131 1HH1 ARG 17 1HH1 ARG 17 -10.131 -12.725 -3.875 132 2HH1 ARG 17 2HH1 ARG 17 -9.503 -13.990 -2.858 133 1HH2 ARG 17 1HH2 ARG 17 -8.340 -11.890 -0.413 134 2HH2 ARG 17 2HH2 ARG 17 -8.522 -13.539 -0.948 135 H ASP 18 H ASP 18 -6.353 -6.139 -3.755 136 HA ASP 18 HA ASP 18 -4.438 -4.749 -2.096 137 1HB ASP 18 1HB ASP 18 -6.995 -3.616 -3.279 138 2HB ASP 18 2HB ASP 18 -5.559 -2.719 -2.754 139 H SER 19 H SER 19 -7.597 -5.993 -1.438 140 HA SER 19 HA SER 19 -8.308 -4.414 0.869 141 1HB SER 19 1HB SER 19 -9.130 -7.272 0.236 142 2HB SER 19 2HB SER 19 -9.956 -6.133 1.313 143 HG SER 19 HG SER 19 -10.968 -6.180 -0.725 144 H ASP 20 H ASP 20 -5.987 -6.922 0.452 145 HA ASP 20 HA ASP 20 -5.805 -7.856 3.229 146 1HB ASP 20 1HB ASP 20 -3.914 -7.910 0.865 147 2HB ASP 20 2HB ASP 20 -3.550 -8.733 2.334 148 H CYS 21 H CYS 21 -4.707 -5.000 1.561 149 HA CYS 21 HA CYS 21 -2.398 -4.646 3.375 150 1HB CYS 21 1HB CYS 21 -3.148 -3.379 0.719 151 2HB CYS 21 2HB CYS 21 -1.656 -3.075 1.599 152 HA PRO 22 HA PRO 22 -3.741 -0.872 5.416 153 1HB PRO 22 1HB PRO 22 -1.176 0.327 4.366 154 2HB PRO 22 2HB PRO 22 -1.847 0.390 6.024 155 1HG PRO 22 1HG PRO 22 0.171 -1.315 5.435 156 2HG PRO 22 2HG PRO 22 -1.201 -1.867 6.451 157 1HD PRO 22 1HD PRO 22 -0.721 -2.363 3.512 158 2HD PRO 22 2HD PRO 22 -1.287 -3.490 4.775 159 H GLY 23 H GLY 23 -4.240 1.413 5.012 160 1HA GLY 23 1HA GLY 23 -5.091 3.185 3.817 161 2HA GLY 23 2HA GLY 23 -5.845 1.911 2.854 162 H ALA 24 H ALA 24 -2.595 3.315 3.157 163 HA ALA 24 HA ALA 24 -2.629 4.421 0.447 164 1HB ALA 24 1HB ALA 24 -0.404 4.311 2.521 165 2HB ALA 24 2HB ALA 24 -0.421 5.308 1.049 166 3HB ALA 24 3HB ALA 24 -1.596 5.617 2.333 167 H CYS 25 H CYS 25 -1.662 1.365 1.695 168 HA CYS 25 HA CYS 25 0.243 0.721 -0.454 169 1HB CYS 25 1HB CYS 25 -1.058 -0.848 1.780 170 2HB CYS 25 2HB CYS 25 -0.271 -1.664 0.453 171 H ILE 26 H ILE 26 -0.106 -1.095 -1.763 172 HA ILE 26 HA ILE 26 -2.828 -2.038 -2.483 173 HB ILE 26 HB ILE 26 -2.108 -2.179 -4.858 174 1HG1 ILE 26 1HG1 ILE 26 0.048 -0.131 -4.375 175 2HG1 ILE 26 2HG1 ILE 26 0.433 -1.824 -4.174 176 1HG2 ILE 26 1HG2 ILE 26 -3.590 -0.357 -4.078 177 2HG2 ILE 26 2HG2 ILE 26 -2.176 0.681 -3.803 178 3HG2 ILE 26 3HG2 ILE 26 -2.586 0.149 -5.446 179 1HD1 ILE 26 1HD1 ILE 26 -0.859 -0.816 -6.728 180 2HD1 ILE 26 2HD1 ILE 26 0.887 -0.865 -6.477 181 3HD1 ILE 26 3HD1 ILE 26 -0.034 -2.380 -6.423 182 H CYS 27 H CYS 27 -2.533 -4.191 -3.706 183 HA CYS 27 HA CYS 27 -0.361 -5.776 -2.438 184 1HB CYS 27 1HB CYS 27 -2.678 -6.586 -2.423 185 2HB CYS 27 2HB CYS 27 -2.657 -6.702 -4.190 186 H ARG 28 H ARG 28 1.515 -5.554 -3.402 187 HA ARG 28 HA ARG 28 1.925 -4.797 -6.188 188 1HB ARG 28 1HB ARG 28 3.533 -5.156 -3.692 189 2HB ARG 28 2HB ARG 28 4.369 -5.752 -5.103 190 1HG ARG 28 1HG ARG 28 4.915 -3.432 -4.482 191 2HG ARG 28 2HG ARG 28 4.379 -3.643 -6.153 192 1HD ARG 28 1HD ARG 28 2.108 -2.804 -5.460 193 2HD ARG 28 2HD ARG 28 2.731 -2.553 -3.831 194 HE ARG 28 HE ARG 28 3.584 -0.528 -4.556 195 1HH1 ARG 28 1HH1 ARG 28 4.097 1.075 -5.817 196 2HH1 ARG 28 2HH1 ARG 28 4.236 0.883 -7.558 197 1HH2 ARG 28 1HH2 ARG 28 3.244 -2.409 -7.513 198 2HH2 ARG 28 2HH2 ARG 28 3.729 -1.046 -8.486 199 H GLY 29 H GLY 29 3.455 -6.062 -7.492 200 1HA GLY 29 1HA GLY 29 3.558 -7.806 -9.048 201 2HA GLY 29 2HA GLY 29 2.159 -8.534 -8.263 202 H ASN 30 H ASN 30 4.784 -7.943 -6.180 203 HA ASN 30 HA ASN 30 6.107 -10.558 -6.428 204 1HB ASN 30 1HB ASN 30 7.554 -9.790 -4.707 205 2HB ASN 30 2HB ASN 30 7.309 -8.440 -5.811 206 2HD2 ASN 30 2HD2 ASN 30 8.293 -8.128 -3.156 207 1HD2 ASN 30 1HD2 ASN 30 7.054 -7.244 -2.269 208 H GLY 31 H GLY 31 3.183 -9.641 -5.013 209 1HA GLY 31 1HA GLY 31 3.019 -12.152 -3.443 210 2HA GLY 31 2HA GLY 31 1.697 -11.071 -3.861 211 H TYR 32 H TYR 32 3.489 -8.760 -2.771 212 HA TYR 32 HA TYR 32 2.638 -9.009 0.084 213 1HB TYR 32 1HB TYR 32 5.228 -7.961 -1.051 214 2HB TYR 32 2HB TYR 32 4.704 -7.586 0.568 215 HD1 TYR 32 HD1 TYR 32 5.017 -9.060 2.368 216 HD2 TYR 32 HD2 TYR 32 5.909 -10.348 -1.637 217 HE1 TYR 32 HE1 TYR 32 6.542 -10.807 3.286 218 HE2 TYR 32 HE2 TYR 32 7.330 -12.190 -0.726 219 HH TYR 32 HH TYR 32 8.132 -12.406 2.737 220 H CYS 33 H CYS 33 2.416 -6.914 1.153 221 HA CYS 33 HA CYS 33 1.103 -4.928 -0.520 222 1HB CYS 33 1HB CYS 33 1.912 -4.928 2.417 223 2HB CYS 33 2HB CYS 33 0.851 -3.737 1.664 224 H GLY 34 H GLY 34 1.682 -2.794 -0.921 225 1HA GLY 34 1HA GLY 34 4.357 -2.039 -1.428 226 2HA GLY 34 2HA GLY 34 3.966 -1.484 0.209 No H/Q in entry = 226 Start of MODEL 3 1 H SER 1 H SER 1 4.147 0.703 -0.429 2 HA SER 1 HA SER 1 1.767 2.075 -0.614 3 1HB SER 1 1HB SER 1 4.533 3.101 -1.318 4 2HB SER 1 2HB SER 1 3.104 4.096 -0.974 5 HG SER 1 HG SER 1 4.175 3.908 0.928 6 H GLY 2 H GLY 2 0.328 2.215 -2.317 7 1HA GLY 2 1HA GLY 2 -0.355 1.781 -4.548 8 2HA GLY 2 2HA GLY 2 1.278 2.018 -5.127 9 H SER 3 H SER 3 0.421 4.562 -3.039 10 HA SER 3 HA SER 3 0.126 6.431 -5.323 11 1HB SER 3 1HB SER 3 -2.188 5.866 -4.709 12 2HB SER 3 2HB SER 3 -1.866 6.319 -3.023 13 HG SER 3 HG SER 3 -2.848 7.999 -4.349 14 H ASP 4 H ASP 4 1.311 8.182 -5.040 15 HA ASP 4 HA ASP 4 2.672 8.865 -2.552 16 1HB ASP 4 1HB ASP 4 3.632 10.665 -3.806 17 2HB ASP 4 2HB ASP 4 3.673 9.213 -4.792 18 H GLY 5 H GLY 5 -0.485 9.464 -3.687 19 1HA GLY 5 1HA GLY 5 -2.142 11.007 -3.134 20 2HA GLY 5 2HA GLY 5 -0.955 12.032 -2.334 21 H GLY 6 H GLY 6 -0.489 8.993 -1.103 22 1HA GLY 6 1HA GLY 6 -2.289 8.057 0.630 23 2HA GLY 6 2HA GLY 6 -1.891 9.583 1.432 24 H VAL 7 H VAL 7 -1.427 7.270 2.769 25 HA VAL 7 HA VAL 7 1.511 6.748 2.622 26 HB VAL 7 HB VAL 7 1.653 6.825 5.090 27 1HG1 VAL 7 1HG1 VAL 7 2.391 8.731 3.700 28 2HG1 VAL 7 2HG1 VAL 7 0.787 9.475 3.875 29 3HG1 VAL 7 3HG1 VAL 7 1.819 9.234 5.300 30 1HG2 VAL 7 1HG2 VAL 7 -0.743 6.586 5.699 31 2HG2 VAL 7 2HG2 VAL 7 -0.011 8.019 6.427 32 3HG2 VAL 7 3HG2 VAL 7 -1.075 8.193 5.016 33 H CYS 8 H CYS 8 2.256 4.858 3.492 34 HA CYS 8 HA CYS 8 0.370 2.962 4.684 35 1HB CYS 8 1HB CYS 8 0.304 2.242 2.366 36 2HB CYS 8 2HB CYS 8 2.055 2.268 2.243 37 HA PRO 9 HA PRO 9 3.910 2.470 7.481 38 1HB PRO 9 1HB PRO 9 2.600 -0.254 7.710 39 2HB PRO 9 2HB PRO 9 3.312 0.753 9.012 40 1HG PRO 9 1HG PRO 9 0.648 0.767 8.624 41 2HG PRO 9 2HG PRO 9 1.506 2.328 8.859 42 1HD PRO 9 1HD PRO 9 0.530 1.084 6.288 43 2HD PRO 9 2HD PRO 9 0.505 2.799 6.812 44 H LYS 10 H LYS 10 3.661 0.663 4.603 45 HA LYS 10 HA LYS 10 4.952 -0.838 3.442 46 1HB LYS 10 1HB LYS 10 7.225 0.733 4.719 47 2HB LYS 10 2HB LYS 10 7.330 -0.239 3.246 48 1HG LYS 10 1HG LYS 10 5.730 1.267 2.109 49 2HG LYS 10 2HG LYS 10 5.609 2.233 3.589 50 1HD LYS 10 1HD LYS 10 8.107 2.639 3.466 51 2HD LYS 10 2HD LYS 10 8.098 1.823 1.898 52 1HE LYS 10 1HE LYS 10 8.013 4.180 1.479 53 2HE LYS 10 2HE LYS 10 6.434 3.506 1.068 54 1HZ LYS 10 1HZ LYS 10 5.626 4.310 3.249 55 2HZ LYS 10 2HZ LYS 10 7.098 4.928 3.599 56 3HZ LYS 10 3HZ LYS 10 6.228 5.556 2.373 57 H ILE 11 H ILE 11 4.015 -2.094 5.459 58 HA ILE 11 HA ILE 11 6.043 -3.702 6.881 59 HB ILE 11 HB ILE 11 4.032 -4.988 7.694 60 1HG1 ILE 11 1HG1 ILE 11 2.395 -2.743 6.412 61 2HG1 ILE 11 2HG1 ILE 11 2.474 -4.401 5.813 62 1HG2 ILE 11 1HG2 ILE 11 5.153 -3.198 8.969 63 2HG2 ILE 11 2HG2 ILE 11 4.078 -1.990 8.245 64 3HG2 ILE 11 3HG2 ILE 11 3.427 -3.248 9.319 65 1HD1 ILE 11 1HD1 ILE 11 1.564 -5.186 8.033 66 2HD1 ILE 11 2HD1 ILE 11 1.306 -3.476 8.460 67 3HD1 ILE 11 3HD1 ILE 11 0.460 -4.178 7.074 68 H LEU 12 H LEU 12 6.402 -5.824 6.579 69 HA LEU 12 HA LEU 12 6.232 -6.892 3.842 70 1HB LEU 12 1HB LEU 12 7.551 -7.927 6.386 71 2HB LEU 12 2HB LEU 12 7.503 -8.826 4.871 72 HG LEU 12 HG LEU 12 8.679 -6.963 3.705 73 1HD1 LEU 12 1HD1 LEU 12 9.093 -5.907 6.541 74 2HD1 LEU 12 2HD1 LEU 12 10.066 -5.429 5.134 75 3HD1 LEU 12 3HD1 LEU 12 8.353 -5.040 5.168 76 1HD2 LEU 12 1HD2 LEU 12 9.822 -8.996 4.506 77 2HD2 LEU 12 2HD2 LEU 12 10.883 -7.584 4.611 78 3HD2 LEU 12 3HD2 LEU 12 10.110 -8.224 6.081 79 H LYS 13 H LYS 13 3.728 -6.584 4.665 80 HA LYS 13 HA LYS 13 2.544 -9.113 5.639 81 1HB LYS 13 1HB LYS 13 1.679 -6.861 6.275 82 2HB LYS 13 2HB LYS 13 1.172 -6.593 4.601 83 1HG LYS 13 1HG LYS 13 -0.336 -8.549 4.737 84 2HG LYS 13 2HG LYS 13 0.267 -8.916 6.365 85 1HD LYS 13 1HD LYS 13 -0.551 -6.635 7.104 86 2HD LYS 13 2HD LYS 13 -1.331 -6.454 5.528 87 1HE LYS 13 1HE LYS 13 -1.852 -8.686 7.557 88 2HE LYS 13 2HE LYS 13 -2.857 -7.248 7.349 89 1HZ LYS 13 1HZ LYS 13 -3.296 -7.951 5.069 90 2HZ LYS 13 2HZ LYS 13 -2.419 -9.327 5.273 91 3HZ LYS 13 3HZ LYS 13 -3.793 -9.098 6.131 92 H LYS 14 H LYS 14 2.586 -10.773 4.249 93 HA LYS 14 HA LYS 14 2.478 -10.587 1.381 94 1HB LYS 14 1HB LYS 14 2.198 -12.991 1.392 95 2HB LYS 14 2HB LYS 14 3.497 -12.493 2.472 96 1HG LYS 14 1HG LYS 14 1.952 -12.782 4.432 97 2HG LYS 14 2HG LYS 14 0.694 -13.356 3.319 98 1HD LYS 14 1HD LYS 14 2.165 -15.219 2.609 99 2HD LYS 14 2HD LYS 14 3.434 -14.638 3.710 100 1HE LYS 14 1HE LYS 14 1.894 -14.941 5.638 101 2HE LYS 14 2HE LYS 14 0.636 -15.530 4.542 102 1HZ LYS 14 1HZ LYS 14 3.270 -16.843 4.971 103 2HZ LYS 14 2HZ LYS 14 1.847 -17.369 5.570 104 3HZ LYS 14 3HZ LYS 14 2.107 -17.388 3.960 105 H CYS 15 H CYS 15 0.857 -10.895 0.016 106 HA CYS 15 HA CYS 15 -1.993 -11.010 0.963 107 1HB CYS 15 1HB CYS 15 -2.520 -8.937 -0.263 108 2HB CYS 15 2HB CYS 15 -1.355 -8.675 1.003 109 H ARG 16 H ARG 16 -3.553 -10.897 -0.807 110 HA ARG 16 HA ARG 16 -2.711 -12.004 -3.474 111 1HB ARG 16 1HB ARG 16 -5.033 -12.992 -1.760 112 2HB ARG 16 2HB ARG 16 -4.749 -13.442 -3.446 113 1HG ARG 16 1HG ARG 16 -2.537 -14.411 -2.808 114 2HG ARG 16 2HG ARG 16 -2.898 -14.059 -1.103 115 1HD ARG 16 1HD ARG 16 -4.915 -15.480 -1.229 116 2HD ARG 16 2HD ARG 16 -4.565 -15.832 -2.934 117 HE ARG 16 HE ARG 16 -2.267 -16.514 -1.385 118 1HH1 ARG 16 1HH1 ARG 16 -5.511 -17.743 -1.856 119 2HH1 ARG 16 2HH1 ARG 16 -5.044 -19.374 -1.444 120 1HH2 ARG 16 1HH2 ARG 16 -1.740 -18.593 -0.877 121 2HH2 ARG 16 2HH2 ARG 16 -2.965 -19.832 -0.905 122 H ARG 17 H ARG 17 -4.558 -9.732 -1.731 123 HA ARG 17 HA ARG 17 -5.629 -8.515 -4.225 124 1HB ARG 17 1HB ARG 17 -7.872 -8.219 -3.267 125 2HB ARG 17 2HB ARG 17 -7.474 -9.938 -3.340 126 1HG ARG 17 1HG ARG 17 -6.809 -9.847 -0.934 127 2HG ARG 17 2HG ARG 17 -7.304 -8.159 -0.861 128 1HD ARG 17 1HD ARG 17 -9.050 -9.406 0.103 129 2HD ARG 17 2HD ARG 17 -9.630 -8.911 -1.492 130 HE ARG 17 HE ARG 17 -9.724 -11.127 -2.118 131 1HH1 ARG 17 1HH1 ARG 17 -9.702 -13.318 -1.830 132 2HH1 ARG 17 2HH1 ARG 17 -8.783 -14.028 -0.532 133 1HH2 ARG 17 1HH2 ARG 17 -7.556 -11.068 0.713 134 2HH2 ARG 17 2HH2 ARG 17 -7.649 -12.797 0.861 135 H ASP 18 H ASP 18 -6.373 -6.254 -3.828 136 HA ASP 18 HA ASP 18 -4.408 -4.836 -2.221 137 1HB ASP 18 1HB ASP 18 -6.922 -3.729 -3.519 138 2HB ASP 18 2HB ASP 18 -5.516 -2.811 -2.957 139 H SER 19 H SER 19 -7.613 -6.023 -1.522 140 HA SER 19 HA SER 19 -8.242 -4.278 0.702 141 1HB SER 19 1HB SER 19 -9.233 -7.113 0.280 142 2HB SER 19 2HB SER 19 -10.017 -5.819 1.189 143 HG SER 19 HG SER 19 -10.288 -4.687 -0.798 144 H ASP 20 H ASP 20 -5.996 -6.873 0.390 145 HA ASP 20 HA ASP 20 -5.912 -7.737 3.184 146 1HB ASP 20 1HB ASP 20 -3.987 -7.934 0.859 147 2HB ASP 20 2HB ASP 20 -3.686 -8.728 2.367 148 H CYS 21 H CYS 21 -4.865 -4.866 1.618 149 HA CYS 21 HA CYS 21 -2.536 -4.515 3.431 150 1HB CYS 21 1HB CYS 21 -3.193 -3.261 0.747 151 2HB CYS 21 2HB CYS 21 -1.729 -2.983 1.687 152 HA PRO 22 HA PRO 22 -4.502 -0.985 5.317 153 1HB PRO 22 1HB PRO 22 -2.425 0.152 6.647 154 2HB PRO 22 2HB PRO 22 -3.023 -1.486 7.052 155 1HG PRO 22 1HG PRO 22 -0.678 -0.754 5.271 156 2HG PRO 22 2HG PRO 22 -0.700 -1.915 6.634 157 1HD PRO 22 1HD PRO 22 -1.016 -2.700 4.028 158 2HD PRO 22 2HD PRO 22 -1.873 -3.515 5.372 159 H GLY 23 H GLY 23 -4.622 1.299 5.335 160 1HA GLY 23 1HA GLY 23 -3.026 3.292 4.418 161 2HA GLY 23 2HA GLY 23 -4.780 3.363 4.319 162 H ALA 24 H ALA 24 -2.032 3.736 2.597 163 HA ALA 24 HA ALA 24 -3.413 3.643 -0.019 164 1HB ALA 24 1HB ALA 24 -2.363 5.735 0.815 165 2HB ALA 24 2HB ALA 24 -1.676 5.186 -0.723 166 3HB ALA 24 3HB ALA 24 -0.774 4.930 0.781 167 H CYS 25 H CYS 25 -1.659 1.339 1.573 168 HA CYS 25 HA CYS 25 0.119 0.524 -0.575 169 1HB CYS 25 1HB CYS 25 -0.911 -0.900 1.877 170 2HB CYS 25 2HB CYS 25 -0.162 -1.763 0.567 171 H ILE 26 H ILE 26 -0.094 -1.107 -1.922 172 HA ILE 26 HA ILE 26 -2.761 -2.275 -2.636 173 HB ILE 26 HB ILE 26 -1.897 -2.407 -4.977 174 1HG1 ILE 26 1HG1 ILE 26 0.215 -0.362 -4.233 175 2HG1 ILE 26 2HG1 ILE 26 0.576 -2.077 -4.257 176 1HG2 ILE 26 1HG2 ILE 26 -3.489 -0.661 -4.273 177 2HG2 ILE 26 2HG2 ILE 26 -2.146 0.429 -3.880 178 3HG2 ILE 26 3HG2 ILE 26 -2.429 -0.076 -5.558 179 1HD1 ILE 26 1HD1 ILE 26 -0.499 -0.596 -6.676 180 2HD1 ILE 26 2HD1 ILE 26 1.206 -0.922 -6.352 181 3HD1 ILE 26 3HD1 ILE 26 0.098 -2.286 -6.590 182 H CYS 27 H CYS 27 -2.441 -4.426 -3.729 183 HA CYS 27 HA CYS 27 -0.235 -5.947 -2.442 184 1HB CYS 27 1HB CYS 27 -2.566 -6.779 -2.427 185 2HB CYS 27 2HB CYS 27 -2.493 -6.990 -4.183 186 H ARG 28 H ARG 28 1.600 -5.625 -3.421 187 HA ARG 28 HA ARG 28 1.967 -4.758 -6.158 188 1HB ARG 28 1HB ARG 28 3.947 -5.795 -4.070 189 2HB ARG 28 2HB ARG 28 4.412 -4.959 -5.540 190 1HG ARG 28 1HG ARG 28 2.707 -3.713 -3.333 191 2HG ARG 28 2HG ARG 28 4.457 -3.590 -3.415 192 1HD ARG 28 1HD ARG 28 2.602 -2.623 -5.620 193 2HD ARG 28 2HD ARG 28 3.186 -1.606 -4.309 194 HE ARG 28 HE ARG 28 5.482 -1.925 -5.083 195 1HH1 ARG 28 1HH1 ARG 28 6.879 -1.788 -6.760 196 2HH1 ARG 28 2HH1 ARG 28 6.318 -2.059 -8.386 197 1HH2 ARG 28 1HH2 ARG 28 3.065 -2.672 -7.525 198 2HH2 ARG 28 2HH2 ARG 28 4.239 -2.563 -8.807 199 H GLY 29 H GLY 29 3.726 -5.920 -7.441 200 1HA GLY 29 1HA GLY 29 3.998 -7.571 -9.073 201 2HA GLY 29 2HA GLY 29 2.491 -8.295 -8.514 202 H ASN 30 H ASN 30 4.954 -7.911 -6.166 203 HA ASN 30 HA ASN 30 6.073 -10.636 -6.406 204 1HB ASN 30 1HB ASN 30 7.559 -10.024 -4.679 205 2HB ASN 30 2HB ASN 30 7.444 -8.624 -5.743 206 2HD2 ASN 30 2HD2 ASN 30 8.366 -8.601 -2.984 207 1HD2 ASN 30 1HD2 ASN 30 7.212 -7.592 -2.120 208 H GLY 31 H GLY 31 3.180 -9.494 -5.102 209 1HA GLY 31 1HA GLY 31 2.762 -11.979 -3.561 210 2HA GLY 31 2HA GLY 31 1.559 -10.768 -3.987 211 H TYR 32 H TYR 32 3.410 -8.607 -2.804 212 HA TYR 32 HA TYR 32 2.514 -8.915 0.032 213 1HB TYR 32 1HB TYR 32 5.206 -8.064 -1.024 214 2HB TYR 32 2HB TYR 32 4.666 -7.594 0.570 215 HD1 TYR 32 HD1 TYR 32 4.921 -9.002 2.417 216 HD2 TYR 32 HD2 TYR 32 5.519 -10.574 -1.543 217 HE1 TYR 32 HE1 TYR 32 6.002 -11.015 3.397 218 HE2 TYR 32 HE2 TYR 32 6.533 -12.635 -0.567 219 HH TYR 32 HH TYR 32 6.968 -13.050 2.965 220 H CYS 33 H CYS 33 2.228 -6.918 1.165 221 HA CYS 33 HA CYS 33 0.988 -4.859 -0.389 222 1HB CYS 33 1HB CYS 33 1.849 -4.964 2.520 223 2HB CYS 33 2HB CYS 33 0.828 -3.704 1.829 224 H GLY 34 H GLY 34 1.662 -2.820 -1.003 225 1HA GLY 34 1HA GLY 34 4.263 -2.022 -1.536 226 2HA GLY 34 2HA GLY 34 4.006 -1.511 0.137 No H/Q in entry = 226 Start of MODEL 4 1 H SER 1 H SER 1 4.238 0.783 -0.690 2 HA SER 1 HA SER 1 1.844 2.134 -0.984 3 1HB SER 1 1HB SER 1 4.558 3.023 -2.007 4 2HB SER 1 2HB SER 1 3.156 4.069 -1.714 5 HG SER 1 HG SER 1 4.527 4.104 0.069 6 H GLY 2 H GLY 2 0.436 2.592 -2.601 7 1HA GLY 2 1HA GLY 2 -0.563 1.849 -4.646 8 2HA GLY 2 2HA GLY 2 1.022 1.602 -5.357 9 H SER 3 H SER 3 -0.562 2.699 -6.973 10 HA SER 3 HA SER 3 0.508 5.148 -7.783 11 1HB SER 3 1HB SER 3 -2.155 3.927 -8.595 12 2HB SER 3 2HB SER 3 -1.208 5.111 -9.518 13 HG SER 3 HG SER 3 -0.843 2.964 -10.246 14 H ASP 4 H ASP 4 -1.937 4.761 -5.425 15 HA ASP 4 HA ASP 4 -3.377 7.236 -5.570 16 1HB ASP 4 1HB ASP 4 -4.011 5.335 -4.149 17 2HB ASP 4 2HB ASP 4 -2.522 5.498 -3.220 18 H GLY 5 H GLY 5 -0.099 6.493 -4.518 19 1HA GLY 5 1HA GLY 5 0.650 9.309 -4.518 20 2HA GLY 5 2HA GLY 5 1.706 7.919 -4.303 21 H GLY 6 H GLY 6 -0.759 7.661 -2.024 22 1HA GLY 6 1HA GLY 6 -0.861 7.998 0.270 23 2HA GLY 6 2HA GLY 6 0.232 9.376 0.090 24 H VAL 7 H VAL 7 1.072 8.563 2.144 25 HA VAL 7 HA VAL 7 3.400 6.792 1.772 26 HB VAL 7 HB VAL 7 2.517 8.304 4.266 27 1HG1 VAL 7 1HG1 VAL 7 5.174 6.980 3.521 28 2HG1 VAL 7 2HG1 VAL 7 4.887 7.987 4.955 29 3HG1 VAL 7 3HG1 VAL 7 4.066 6.435 4.800 30 1HG2 VAL 7 1HG2 VAL 7 4.562 9.021 2.119 31 2HG2 VAL 7 2HG2 VAL 7 3.036 9.873 2.442 32 3HG2 VAL 7 3HG2 VAL 7 4.322 9.890 3.651 33 H CYS 8 H CYS 8 2.720 4.647 1.614 34 HA CYS 8 HA CYS 8 1.106 3.523 3.820 35 1HB CYS 8 1HB CYS 8 0.995 2.464 1.527 36 2HB CYS 8 2HB CYS 8 2.689 2.020 1.716 37 HA PRO 9 HA PRO 9 4.745 2.851 6.509 38 1HB PRO 9 1HB PRO 9 2.943 0.534 7.266 39 2HB PRO 9 2HB PRO 9 3.977 1.536 8.336 40 1HG PRO 9 1HG PRO 9 1.347 2.088 8.124 41 2HG PRO 9 2HG PRO 9 2.534 3.432 8.055 42 1HD PRO 9 1HD PRO 9 1.040 2.123 5.789 43 2HD PRO 9 2HD PRO 9 1.497 3.846 6.018 44 H LYS 10 H LYS 10 3.890 0.771 3.964 45 HA LYS 10 HA LYS 10 4.790 -1.095 2.931 46 1HB LYS 10 1HB LYS 10 7.300 0.448 3.665 47 2HB LYS 10 2HB LYS 10 7.237 -0.863 2.483 48 1HG LYS 10 1HG LYS 10 5.689 0.407 1.069 49 2HG LYS 10 2HG LYS 10 5.688 1.738 2.237 50 1HD LYS 10 1HD LYS 10 8.170 1.950 1.958 51 2HD LYS 10 2HD LYS 10 8.103 0.705 0.692 52 1HE LYS 10 1HE LYS 10 6.542 2.141 -0.613 53 2HE LYS 10 2HE LYS 10 6.608 3.364 0.662 54 1HZ LYS 10 1HZ LYS 10 8.993 3.606 0.227 55 2HZ LYS 10 2HZ LYS 10 8.940 2.475 -0.954 56 3HZ LYS 10 3HZ LYS 10 8.149 3.890 -1.140 57 H ILE 11 H ILE 11 3.940 -2.145 5.048 58 HA ILE 11 HA ILE 11 5.954 -3.615 6.579 59 HB ILE 11 HB ILE 11 4.153 -4.662 7.709 60 1HG1 ILE 11 1HG1 ILE 11 2.542 -5.191 6.034 61 2HG1 ILE 11 2HG1 ILE 11 1.789 -4.295 7.331 62 1HG2 ILE 11 1HG2 ILE 11 4.771 -2.399 8.400 63 2HG2 ILE 11 2HG2 ILE 11 3.492 -1.717 7.379 64 3HG2 ILE 11 3HG2 ILE 11 3.071 -2.758 8.750 65 1HD1 ILE 11 1HD1 ILE 11 1.774 -2.247 5.863 66 2HD1 ILE 11 2HD1 ILE 11 2.410 -3.256 4.534 67 3HD1 ILE 11 3HD1 ILE 11 0.835 -3.614 5.236 68 H LEU 12 H LEU 12 6.209 -5.816 6.562 69 HA LEU 12 HA LEU 12 6.167 -7.117 3.928 70 1HB LEU 12 1HB LEU 12 7.189 -8.144 6.598 71 2HB LEU 12 2HB LEU 12 7.457 -8.903 5.026 72 HG LEU 12 HG LEU 12 8.506 -6.157 5.856 73 1HD1 LEU 12 1HD1 LEU 12 9.609 -8.037 7.012 74 2HD1 LEU 12 2HD1 LEU 12 9.937 -8.815 5.449 75 3HD1 LEU 12 3HD1 LEU 12 10.697 -7.258 5.852 76 1HD2 LEU 12 1HD2 LEU 12 8.972 -7.793 3.320 77 2HD2 LEU 12 2HD2 LEU 12 8.152 -6.217 3.427 78 3HD2 LEU 12 3HD2 LEU 12 9.876 -6.333 3.782 79 H LYS 13 H LYS 13 3.566 -6.699 4.889 80 HA LYS 13 HA LYS 13 2.359 -9.283 5.647 81 1HB LYS 13 1HB LYS 13 1.250 -7.178 6.261 82 2HB LYS 13 2HB LYS 13 1.106 -6.727 4.554 83 1HG LYS 13 1HG LYS 13 -0.281 -8.779 4.166 84 2HG LYS 13 2HG LYS 13 -0.177 -9.164 5.888 85 1HD LYS 13 1HD LYS 13 -1.421 -6.655 4.680 86 2HD LYS 13 2HD LYS 13 -2.304 -8.106 5.170 87 1HE LYS 13 1HE LYS 13 -1.433 -7.771 7.519 88 2HE LYS 13 2HE LYS 13 -0.743 -6.228 6.993 89 1HZ LYS 13 1HZ LYS 13 -3.038 -5.573 6.327 90 2HZ LYS 13 2HZ LYS 13 -3.623 -6.960 6.928 91 3HZ LYS 13 3HZ LYS 13 -2.939 -5.872 7.940 92 H LYS 14 H LYS 14 2.468 -10.929 4.252 93 HA LYS 14 HA LYS 14 2.518 -10.649 1.351 94 1HB LYS 14 1HB LYS 14 2.260 -13.050 1.268 95 2HB LYS 14 2HB LYS 14 3.555 -12.591 2.373 96 1HG LYS 14 1HG LYS 14 2.005 -12.972 4.313 97 2HG LYS 14 2HG LYS 14 0.760 -13.519 3.173 98 1HD LYS 14 1HD LYS 14 2.257 -15.337 2.402 99 2HD LYS 14 2HD LYS 14 3.507 -14.790 3.543 100 1HE LYS 14 1HE LYS 14 1.940 -15.174 5.436 101 2HE LYS 14 2HE LYS 14 0.701 -15.724 4.302 102 1HZ LYS 14 1HZ LYS 14 3.333 -17.046 4.718 103 2HZ LYS 14 2HZ LYS 14 1.901 -17.596 5.277 104 3HZ LYS 14 3HZ LYS 14 2.186 -17.556 3.671 105 H CYS 15 H CYS 15 0.867 -10.906 -0.020 106 HA CYS 15 HA CYS 15 -1.966 -10.979 1.008 107 1HB CYS 15 1HB CYS 15 -2.474 -8.919 -0.258 108 2HB CYS 15 2HB CYS 15 -1.296 -8.665 0.997 109 H ARG 16 H ARG 16 -3.597 -10.985 -0.644 110 HA ARG 16 HA ARG 16 -2.869 -12.218 -3.296 111 1HB ARG 16 1HB ARG 16 -5.283 -12.810 -1.534 112 2HB ARG 16 2HB ARG 16 -5.055 -13.428 -3.162 113 1HG ARG 16 1HG ARG 16 -3.281 -14.124 -0.776 114 2HG ARG 16 2HG ARG 16 -4.632 -15.073 -1.374 115 1HD ARG 16 1HD ARG 16 -2.758 -16.137 -2.268 116 2HD ARG 16 2HD ARG 16 -3.436 -15.218 -3.624 117 HE ARG 16 HE ARG 16 -1.487 -13.606 -2.294 118 1HH1 ARG 16 1HH1 ARG 16 0.445 -13.215 -2.975 119 2HH1 ARG 16 2HH1 ARG 16 1.258 -14.277 -4.115 120 1HH2 ARG 16 1HH2 ARG 16 -1.423 -16.446 -4.334 121 2HH2 ARG 16 2HH2 ARG 16 0.196 -16.089 -4.887 122 H ARG 17 H ARG 17 -4.625 -9.727 -1.600 123 HA ARG 17 HA ARG 17 -5.319 -8.468 -4.187 124 1HB ARG 17 1HB ARG 17 -7.663 -8.026 -3.546 125 2HB ARG 17 2HB ARG 17 -7.372 -9.728 -3.832 126 1HG ARG 17 1HG ARG 17 -7.217 -8.661 -1.002 127 2HG ARG 17 2HG ARG 17 -8.796 -8.869 -1.753 128 1HD ARG 17 1HD ARG 17 -8.669 -11.170 -1.827 129 2HD ARG 17 2HD ARG 17 -6.918 -11.197 -1.926 130 HE ARG 17 HE ARG 17 -6.694 -10.770 0.396 131 1HH1 ARG 17 1HH1 ARG 17 -7.276 -10.990 2.403 132 2HH1 ARG 17 2HH1 ARG 17 -8.900 -11.490 2.874 133 1HH2 ARG 17 1HH2 ARG 17 -10.059 -11.455 -0.383 134 2HH2 ARG 17 2HH2 ARG 17 -10.461 -11.715 1.297 135 H ASP 18 H ASP 18 -6.234 -6.225 -3.817 136 HA ASP 18 HA ASP 18 -4.367 -4.794 -2.138 137 1HB ASP 18 1HB ASP 18 -6.906 -3.719 -3.418 138 2HB ASP 18 2HB ASP 18 -5.509 -2.784 -2.858 139 H SER 19 H SER 19 -7.514 -6.063 -1.518 140 HA SER 19 HA SER 19 -8.334 -4.452 0.722 141 1HB SER 19 1HB SER 19 -9.031 -7.363 0.182 142 2HB SER 19 2HB SER 19 -9.956 -6.201 1.141 143 HG SER 19 HG SER 19 -10.311 -4.997 -0.788 144 H ASP 20 H ASP 20 -5.960 -6.939 0.440 145 HA ASP 20 HA ASP 20 -5.804 -7.768 3.249 146 1HB ASP 20 1HB ASP 20 -3.892 -7.848 0.897 147 2HB ASP 20 2HB ASP 20 -3.450 -8.522 2.421 148 H CYS 21 H CYS 21 -4.547 -5.053 1.383 149 HA CYS 21 HA CYS 21 -2.455 -4.481 3.363 150 1HB CYS 21 1HB CYS 21 -3.076 -3.249 0.659 151 2HB CYS 21 2HB CYS 21 -1.625 -2.971 1.624 152 HA PRO 22 HA PRO 22 -4.559 -1.010 5.179 153 1HB PRO 22 1HB PRO 22 -2.534 0.348 6.370 154 2HB PRO 22 2HB PRO 22 -2.967 -1.319 6.859 155 1HG PRO 22 1HG PRO 22 -0.775 -0.455 4.940 156 2HG PRO 22 2HG PRO 22 -0.639 -1.562 6.344 157 1HD PRO 22 1HD PRO 22 -0.999 -2.472 3.788 158 2HD PRO 22 2HD PRO 22 -1.722 -3.303 5.198 159 H GLY 23 H GLY 23 -4.868 1.226 5.117 160 1HA GLY 23 1HA GLY 23 -3.826 3.450 4.359 161 2HA GLY 23 2HA GLY 23 -5.443 3.077 3.798 162 H ALA 24 H ALA 24 -2.150 3.571 2.902 163 HA ALA 24 HA ALA 24 -2.971 4.111 0.117 164 1HB ALA 24 1HB ALA 24 -1.835 5.831 1.463 165 2HB ALA 24 2HB ALA 24 -0.882 5.378 0.038 166 3HB ALA 24 3HB ALA 24 -0.421 4.766 1.641 167 H CYS 25 H CYS 25 -1.661 1.373 1.577 168 HA CYS 25 HA CYS 25 0.200 0.650 -0.567 169 1HB CYS 25 1HB CYS 25 -0.986 -0.861 1.769 170 2HB CYS 25 2HB CYS 25 -0.171 -1.670 0.451 171 H ILE 26 H ILE 26 -0.074 -1.166 -1.819 172 HA ILE 26 HA ILE 26 -2.761 -2.219 -2.558 173 HB ILE 26 HB ILE 26 -1.919 -2.403 -4.912 174 1HG1 ILE 26 1HG1 ILE 26 0.211 -0.369 -4.197 175 2HG1 ILE 26 2HG1 ILE 26 0.552 -2.086 -4.230 176 1HG2 ILE 26 1HG2 ILE 26 -3.509 -0.653 -4.238 177 2HG2 ILE 26 2HG2 ILE 26 -2.171 0.447 -3.864 178 3HG2 ILE 26 3HG2 ILE 26 -2.453 -0.085 -5.535 179 1HD1 ILE 26 1HD1 ILE 26 -0.521 -0.583 -6.639 180 2HD1 ILE 26 2HD1 ILE 26 1.181 -0.944 -6.331 181 3HD1 ILE 26 3HD1 ILE 26 0.043 -2.284 -6.560 182 H CYS 27 H CYS 27 -2.439 -4.385 -3.670 183 HA CYS 27 HA CYS 27 -0.237 -5.915 -2.381 184 1HB CYS 27 1HB CYS 27 -2.557 -6.754 -2.340 185 2HB CYS 27 2HB CYS 27 -2.525 -6.925 -4.102 186 H ARG 28 H ARG 28 1.607 -5.633 -3.378 187 HA ARG 28 HA ARG 28 1.953 -4.727 -6.103 188 1HB ARG 28 1HB ARG 28 3.945 -5.834 -4.062 189 2HB ARG 28 2HB ARG 28 4.399 -4.984 -5.523 190 1HG ARG 28 1HG ARG 28 2.782 -3.754 -3.245 191 2HG ARG 28 2HG ARG 28 4.526 -3.633 -3.409 192 1HD ARG 28 1HD ARG 28 2.530 -2.608 -5.456 193 2HD ARG 28 2HD ARG 28 3.287 -1.621 -4.209 194 HE ARG 28 HE ARG 28 5.484 -2.071 -5.227 195 1HH1 ARG 28 1HH1 ARG 28 6.683 -1.925 -7.049 196 2HH1 ARG 28 2HH1 ARG 28 5.922 -2.085 -8.606 197 1HH2 ARG 28 1HH2 ARG 28 2.760 -2.554 -7.395 198 2HH2 ARG 28 2HH2 ARG 28 3.783 -2.439 -8.801 199 H GLY 29 H GLY 29 3.659 -5.877 -7.438 200 1HA GLY 29 1HA GLY 29 3.897 -7.507 -9.099 201 2HA GLY 29 2HA GLY 29 2.400 -8.237 -8.521 202 H ASN 30 H ASN 30 4.921 -7.885 -6.222 203 HA ASN 30 HA ASN 30 6.016 -10.614 -6.518 204 1HB ASN 30 1HB ASN 30 7.547 -10.036 -4.827 205 2HB ASN 30 2HB ASN 30 7.410 -8.611 -5.854 206 2HD2 ASN 30 2HD2 ASN 30 8.399 -8.663 -3.115 207 1HD2 ASN 30 1HD2 ASN 30 7.271 -7.670 -2.199 208 H GLY 31 H GLY 31 3.158 -9.472 -5.150 209 1HA GLY 31 1HA GLY 31 2.757 -11.974 -3.641 210 2HA GLY 31 2HA GLY 31 1.547 -10.761 -4.040 211 H TYR 32 H TYR 32 3.467 -8.645 -2.828 212 HA TYR 32 HA TYR 32 2.567 -8.967 0.004 213 1HB TYR 32 1HB TYR 32 5.276 -8.192 -1.063 214 2HB TYR 32 2HB TYR 32 4.756 -7.671 0.522 215 HD1 TYR 32 HD1 TYR 32 4.972 -9.042 2.398 216 HD2 TYR 32 HD2 TYR 32 5.489 -10.732 -1.525 217 HE1 TYR 32 HE1 TYR 32 6.028 -11.057 3.417 218 HE2 TYR 32 HE2 TYR 32 6.457 -12.789 -0.514 219 HH TYR 32 HH TYR 32 7.106 -13.834 1.413 220 H CYS 33 H CYS 33 2.384 -6.940 1.170 221 HA CYS 33 HA CYS 33 1.125 -4.885 -0.400 222 1HB CYS 33 1HB CYS 33 1.943 -5.000 2.521 223 2HB CYS 33 2HB CYS 33 0.946 -3.726 1.815 224 H GLY 34 H GLY 34 1.744 -2.817 -0.927 225 1HA GLY 34 1HA GLY 34 4.369 -1.980 -1.418 226 2HA GLY 34 2HA GLY 34 3.999 -1.426 0.225 No H/Q in entry = 226 Start of MODEL 5 1 H SER 1 H SER 1 3.903 0.720 -0.594 2 HA SER 1 HA SER 1 1.551 2.080 -0.750 3 1HB SER 1 1HB SER 1 4.247 3.101 -1.698 4 2HB SER 1 2HB SER 1 2.859 4.085 -1.189 5 HG SER 1 HG SER 1 4.297 3.815 0.533 6 H GLY 2 H GLY 2 0.054 2.431 -2.402 7 1HA GLY 2 1HA GLY 2 -0.642 1.663 -4.621 8 2HA GLY 2 2HA GLY 2 0.909 2.124 -5.272 9 H SER 3 H SER 3 -0.092 4.582 -3.174 10 HA SER 3 HA SER 3 -1.040 6.271 -5.434 11 1HB SER 3 1HB SER 3 -3.065 5.343 -4.371 12 2HB SER 3 2HB SER 3 -2.537 5.975 -2.800 13 HG SER 3 HG SER 3 -4.046 7.334 -4.004 14 H ASP 4 H ASP 4 -0.575 8.384 -5.267 15 HA ASP 4 HA ASP 4 1.319 9.394 -3.261 16 1HB ASP 4 1HB ASP 4 1.407 9.953 -5.696 17 2HB ASP 4 2HB ASP 4 -0.144 10.777 -5.547 18 H GLY 5 H GLY 5 -2.098 9.170 -3.476 19 1HA GLY 5 1HA GLY 5 -3.889 10.224 -2.477 20 2HA GLY 5 2HA GLY 5 -2.870 11.612 -2.118 21 H GLY 6 H GLY 6 -1.230 9.114 -0.750 22 1HA GLY 6 1HA GLY 6 -2.619 8.197 1.502 23 2HA GLY 6 2HA GLY 6 -1.922 9.755 1.966 24 H VAL 7 H VAL 7 -1.207 7.527 3.299 25 HA VAL 7 HA VAL 7 1.541 6.749 2.394 26 HB VAL 7 HB VAL 7 0.710 7.538 5.221 27 1HG1 VAL 7 1HG1 VAL 7 3.411 6.617 4.133 28 2HG1 VAL 7 2HG1 VAL 7 3.154 7.337 5.734 29 3HG1 VAL 7 3HG1 VAL 7 2.413 5.792 5.360 30 1HG2 VAL 7 1HG2 VAL 7 2.583 8.913 3.242 31 2HG2 VAL 7 2HG2 VAL 7 1.017 9.533 3.813 32 3HG2 VAL 7 3HG2 VAL 7 2.359 9.380 4.943 33 H CYS 8 H CYS 8 2.199 4.657 3.041 34 HA CYS 8 HA CYS 8 0.093 2.913 4.242 35 1HB CYS 8 1HB CYS 8 0.360 2.257 1.932 36 2HB CYS 8 2HB CYS 8 2.099 2.179 2.085 37 HA PRO 9 HA PRO 9 3.241 2.112 7.456 38 1HB PRO 9 1HB PRO 9 1.346 -0.229 7.812 39 2HB PRO 9 2HB PRO 9 2.144 0.783 9.055 40 1HG PRO 9 1HG PRO 9 -0.444 1.214 8.398 41 2HG PRO 9 2HG PRO 9 0.667 2.608 8.611 42 1HD PRO 9 1HD PRO 9 -0.253 1.320 6.032 43 2HD PRO 9 2HD PRO 9 -0.090 3.057 6.441 44 H LYS 10 H LYS 10 5.055 1.488 6.416 45 HA LYS 10 HA LYS 10 5.281 -0.749 4.569 46 1HB LYS 10 1HB LYS 10 7.218 1.234 5.794 47 2HB LYS 10 2HB LYS 10 7.795 -0.085 4.786 48 1HG LYS 10 1HG LYS 10 5.588 1.718 3.730 49 2HG LYS 10 2HG LYS 10 7.272 2.261 3.727 50 1HD LYS 10 1HD LYS 10 7.945 0.257 2.447 51 2HD LYS 10 2HD LYS 10 6.254 -0.290 2.398 52 1HE LYS 10 1HE LYS 10 5.588 1.673 1.137 53 2HE LYS 10 2HE LYS 10 7.171 2.424 1.362 54 1HZ LYS 10 1HZ LYS 10 6.729 -0.078 -0.184 55 2HZ LYS 10 2HZ LYS 10 6.971 1.405 -0.841 56 3HZ LYS 10 3HZ LYS 10 8.159 0.685 0.009 57 H ILE 11 H ILE 11 4.671 -2.576 5.659 58 HA ILE 11 HA ILE 11 6.876 -3.829 7.209 59 HB ILE 11 HB ILE 11 5.529 -4.962 8.709 60 1HG1 ILE 11 1HG1 ILE 11 3.630 -5.660 7.452 61 2HG1 ILE 11 2HG1 ILE 11 3.130 -4.909 8.946 62 1HG2 ILE 11 1HG2 ILE 11 6.024 -2.665 9.366 63 2HG2 ILE 11 2HG2 ILE 11 4.460 -2.121 8.728 64 3HG2 ILE 11 3HG2 ILE 11 4.521 -3.252 10.091 65 1HD1 ILE 11 1HD1 ILE 11 2.483 -2.845 7.706 66 2HD1 ILE 11 2HD1 ILE 11 2.941 -3.646 6.180 67 3HD1 ILE 11 3HD1 ILE 11 1.615 -4.286 7.159 68 H LEU 12 H LEU 12 6.856 -6.211 7.124 69 HA LEU 12 HA LEU 12 6.424 -7.166 4.380 70 1HB LEU 12 1HB LEU 12 7.566 -8.505 6.859 71 2HB LEU 12 2HB LEU 12 7.501 -9.249 5.263 72 HG LEU 12 HG LEU 12 9.048 -6.701 5.917 73 1HD1 LEU 12 1HD1 LEU 12 9.987 -8.699 7.017 74 2HD1 LEU 12 2HD1 LEU 12 10.009 -9.557 5.461 75 3HD1 LEU 12 3HD1 LEU 12 11.039 -8.128 5.715 76 1HD2 LEU 12 1HD2 LEU 12 8.981 -8.446 3.411 77 2HD2 LEU 12 2HD2 LEU 12 8.422 -6.761 3.540 78 3HD2 LEU 12 3HD2 LEU 12 10.138 -7.131 3.712 79 H LYS 13 H LYS 13 4.127 -6.837 4.458 80 HA LYS 13 HA LYS 13 2.576 -9.106 5.670 81 1HB LYS 13 1HB LYS 13 1.972 -6.739 6.286 82 2HB LYS 13 2HB LYS 13 1.482 -6.470 4.608 83 1HG LYS 13 1HG LYS 13 -0.169 -8.340 4.830 84 2HG LYS 13 2HG LYS 13 0.379 -8.600 6.499 85 1HD LYS 13 1HD LYS 13 -0.268 -6.156 6.950 86 2HD LYS 13 2HD LYS 13 -1.080 -6.168 5.378 87 1HE LYS 13 1HE LYS 13 -1.642 -8.040 7.733 88 2HE LYS 13 2HE LYS 13 -2.608 -6.627 7.297 89 1HZ LYS 13 1HZ LYS 13 -3.116 -7.688 5.178 90 2HZ LYS 13 2HZ LYS 13 -2.247 -9.024 5.579 91 3HZ LYS 13 3HZ LYS 13 -3.599 -8.643 6.416 92 H LYS 14 H LYS 14 2.317 -10.760 4.298 93 HA LYS 14 HA LYS 14 2.394 -10.542 1.421 94 1HB LYS 14 1HB LYS 14 1.571 -12.793 3.304 95 2HB LYS 14 2HB LYS 14 1.402 -12.902 1.549 96 1HG LYS 14 1HG LYS 14 3.892 -12.209 1.422 97 2HG LYS 14 2HG LYS 14 3.956 -12.572 3.147 98 1HD LYS 14 1HD LYS 14 4.754 -14.470 1.868 99 2HD LYS 14 2HD LYS 14 3.249 -14.902 2.675 100 1HE LYS 14 1HE LYS 14 3.369 -15.790 0.376 101 2HE LYS 14 2HE LYS 14 1.998 -14.702 0.589 102 1HZ LYS 14 1HZ LYS 14 4.575 -13.899 -0.657 103 2HZ LYS 14 2HZ LYS 14 3.234 -14.309 -1.491 104 3HZ LYS 14 3HZ LYS 14 3.223 -12.967 -0.562 105 H CYS 15 H CYS 15 0.796 -10.795 -0.016 106 HA CYS 15 HA CYS 15 -2.081 -10.746 0.836 107 1HB CYS 15 1HB CYS 15 -2.534 -8.750 -0.523 108 2HB CYS 15 2HB CYS 15 -1.370 -8.427 0.734 109 H ARG 16 H ARG 16 -3.604 -10.844 -0.903 110 HA ARG 16 HA ARG 16 -2.724 -11.825 -3.569 111 1HB ARG 16 1HB ARG 16 -4.404 -13.609 -3.611 112 2HB ARG 16 2HB ARG 16 -3.153 -13.862 -2.416 113 1HG ARG 16 1HG ARG 16 -5.269 -14.588 -1.543 114 2HG ARG 16 2HG ARG 16 -4.666 -13.242 -0.589 115 1HD ARG 16 1HD ARG 16 -7.116 -13.169 -0.957 116 2HD ARG 16 2HD ARG 16 -6.302 -11.741 -1.536 117 HE ARG 16 HE ARG 16 -6.628 -12.437 -3.823 118 1HH1 ARG 16 1HH1 ARG 16 -7.937 -13.242 -5.370 119 2HH1 ARG 16 2HH1 ARG 16 -9.111 -14.466 -4.969 120 1HH2 ARG 16 1HH2 ARG 16 -8.295 -14.625 -1.646 121 2HH2 ARG 16 2HH2 ARG 16 -9.316 -15.229 -2.924 122 H ARG 17 H ARG 17 -4.612 -9.718 -1.817 123 HA ARG 17 HA ARG 17 -5.825 -8.594 -4.282 124 1HB ARG 17 1HB ARG 17 -7.488 -10.061 -2.768 125 2HB ARG 17 2HB ARG 17 -7.389 -8.632 -1.715 126 1HG ARG 17 1HG ARG 17 -8.293 -7.225 -3.512 127 2HG ARG 17 2HG ARG 17 -8.397 -8.630 -4.583 128 1HD ARG 17 1HD ARG 17 -10.169 -9.577 -3.355 129 2HD ARG 17 2HD ARG 17 -9.673 -8.802 -1.855 130 HE ARG 17 HE ARG 17 -10.777 -6.852 -2.365 131 1HH1 ARG 17 1HH1 ARG 17 -12.344 -5.657 -3.305 132 2HH1 ARG 17 2HH1 ARG 17 -13.009 -6.117 -4.850 133 1HH2 ARG 17 1HH2 ARG 17 -11.062 -8.925 -5.186 134 2HH2 ARG 17 2HH2 ARG 17 -12.306 -7.925 -5.891 135 H ASP 18 H ASP 18 -6.700 -6.411 -3.637 136 HA ASP 18 HA ASP 18 -4.543 -4.867 -2.286 137 1HB ASP 18 1HB ASP 18 -7.129 -3.850 -3.519 138 2HB ASP 18 2HB ASP 18 -5.749 -2.873 -2.995 139 H SER 19 H SER 19 -7.730 -6.029 -1.507 140 HA SER 19 HA SER 19 -8.376 -4.399 0.755 141 1HB SER 19 1HB SER 19 -9.197 -7.272 0.177 142 2HB SER 19 2HB SER 19 -10.040 -6.115 1.220 143 HG SER 19 HG SER 19 -10.418 -4.823 -0.651 144 H ASP 20 H ASP 20 -6.055 -6.882 0.361 145 HA ASP 20 HA ASP 20 -5.818 -7.799 3.138 146 1HB ASP 20 1HB ASP 20 -4.024 -7.879 0.700 147 2HB ASP 20 2HB ASP 20 -3.546 -8.630 2.183 148 H CYS 21 H CYS 21 -4.881 -4.872 1.552 149 HA CYS 21 HA CYS 21 -2.511 -4.540 3.307 150 1HB CYS 21 1HB CYS 21 -3.235 -3.255 0.663 151 2HB CYS 21 2HB CYS 21 -1.743 -3.004 1.573 152 HA PRO 22 HA PRO 22 -4.357 -1.054 5.358 153 1HB PRO 22 1HB PRO 22 -2.234 -0.053 6.717 154 2HB PRO 22 2HB PRO 22 -2.861 -1.698 7.032 155 1HG PRO 22 1HG PRO 22 -0.523 -0.916 5.259 156 2HG PRO 22 2HG PRO 22 -0.557 -2.154 6.552 157 1HD PRO 22 1HD PRO 22 -0.941 -2.766 3.904 158 2HD PRO 22 2HD PRO 22 -1.771 -3.649 5.221 159 H GLY 23 H GLY 23 -4.218 1.282 5.631 160 1HA GLY 23 1HA GLY 23 -2.566 3.189 4.635 161 2HA GLY 23 2HA GLY 23 -4.303 3.416 4.761 162 H ALA 24 H ALA 24 -1.762 3.655 2.726 163 HA ALA 24 HA ALA 24 -3.457 3.833 0.298 164 1HB ALA 24 1HB ALA 24 -2.206 5.809 1.121 165 2HB ALA 24 2HB ALA 24 -1.718 5.329 -0.513 166 3HB ALA 24 3HB ALA 24 -0.675 4.931 0.865 167 H CYS 25 H CYS 25 -1.772 1.315 1.498 168 HA CYS 25 HA CYS 25 -0.109 0.602 -0.770 169 1HB CYS 25 1HB CYS 25 -1.136 -0.942 1.610 170 2HB CYS 25 2HB CYS 25 -0.396 -1.746 0.257 171 H ILE 26 H ILE 26 -0.341 -1.204 -1.989 172 HA ILE 26 HA ILE 26 -2.999 -2.339 -2.707 173 HB ILE 26 HB ILE 26 -2.184 -2.458 -5.080 174 1HG1 ILE 26 1HG1 ILE 26 -0.129 -0.348 -4.385 175 2HG1 ILE 26 2HG1 ILE 26 0.281 -2.037 -4.342 176 1HG2 ILE 26 1HG2 ILE 26 -3.813 -0.748 -4.380 177 2HG2 ILE 26 2HG2 ILE 26 -2.497 0.378 -3.999 178 3HG2 ILE 26 3HG2 ILE 26 -2.772 -0.144 -5.674 179 1HD1 ILE 26 1HD1 ILE 26 -0.937 -0.904 -6.855 180 2HD1 ILE 26 2HD1 ILE 26 0.776 -0.718 -6.487 181 3HD1 ILE 26 3HD1 ILE 26 0.097 -2.362 -6.621 182 H CYS 27 H CYS 27 -2.555 -4.467 -3.925 183 HA CYS 27 HA CYS 27 -0.313 -5.917 -2.635 184 1HB CYS 27 1HB CYS 27 -2.622 -6.821 -2.813 185 2HB CYS 27 2HB CYS 27 -2.395 -7.006 -4.554 186 H ARG 28 H ARG 28 1.582 -5.573 -3.505 187 HA ARG 28 HA ARG 28 2.072 -4.763 -6.275 188 1HB ARG 28 1HB ARG 28 3.635 -5.150 -3.732 189 2HB ARG 28 2HB ARG 28 4.530 -5.570 -5.167 190 1HG ARG 28 1HG ARG 28 4.867 -3.247 -4.348 191 2HG ARG 28 2HG ARG 28 4.428 -3.399 -6.053 192 1HD ARG 28 1HD ARG 28 2.092 -2.769 -5.493 193 2HD ARG 28 2HD ARG 28 2.527 -2.659 -3.790 194 HE ARG 28 HE ARG 28 3.227 -0.500 -4.203 195 1HH1 ARG 28 1HH1 ARG 28 3.652 1.322 -5.276 196 2HH1 ARG 28 2HH1 ARG 28 4.005 1.281 -6.989 197 1HH2 ARG 28 1HH2 ARG 28 3.434 -2.075 -7.338 198 2HH2 ARG 28 2HH2 ARG 28 3.844 -0.576 -8.125 199 H GLY 29 H GLY 29 3.768 -6.018 -7.477 200 1HA GLY 29 1HA GLY 29 4.012 -7.779 -9.003 201 2HA GLY 29 2HA GLY 29 2.549 -8.499 -8.336 202 H ASN 30 H ASN 30 4.963 -7.901 -6.032 203 HA ASN 30 HA ASN 30 6.323 -10.508 -6.148 204 1HB ASN 30 1HB ASN 30 7.598 -9.707 -4.284 205 2HB ASN 30 2HB ASN 30 7.491 -8.415 -5.477 206 2HD2 ASN 30 2HD2 ASN 30 8.248 -7.831 -2.866 207 1HD2 ASN 30 1HD2 ASN 30 6.930 -6.941 -2.114 208 H GLY 31 H GLY 31 3.287 -9.597 -4.966 209 1HA GLY 31 1HA GLY 31 2.987 -12.106 -3.434 210 2HA GLY 31 2HA GLY 31 1.723 -10.953 -3.846 211 H TYR 32 H TYR 32 3.469 -8.725 -2.696 212 HA TYR 32 HA TYR 32 2.525 -8.959 0.114 213 1HB TYR 32 1HB TYR 32 5.189 -7.944 -0.864 214 2HB TYR 32 2HB TYR 32 4.581 -7.589 0.733 215 HD1 TYR 32 HD1 TYR 32 5.852 -10.315 -1.470 216 HD2 TYR 32 HD2 TYR 32 4.865 -9.090 2.535 217 HE1 TYR 32 HE1 TYR 32 7.133 -12.251 -0.568 218 HE2 TYR 32 HE2 TYR 32 6.192 -11.003 3.450 219 HH TYR 32 HH TYR 32 7.883 -13.323 1.310 220 H CYS 33 H CYS 33 2.274 -6.852 1.135 221 HA CYS 33 HA CYS 33 0.969 -4.938 -0.590 222 1HB CYS 33 1HB CYS 33 1.784 -4.847 2.343 223 2HB CYS 33 2HB CYS 33 0.727 -3.670 1.564 224 H GLY 34 H GLY 34 1.533 -2.859 -1.180 225 1HA GLY 34 1HA GLY 34 4.092 -1.985 -1.792 226 2HA GLY 34 2HA GLY 34 3.877 -1.508 -0.098 No H/Q in entry = 226 Start of MODEL 6 1 H SER 1 H SER 1 4.520 0.591 -1.622 2 HA SER 1 HA SER 1 2.156 2.074 -0.982 3 1HB SER 1 1HB SER 1 3.419 4.028 -1.807 4 2HB SER 1 2HB SER 1 4.332 3.043 -0.656 5 HG SER 1 HG SER 1 5.444 3.740 -2.678 6 H GLY 2 H GLY 2 3.629 1.504 -4.169 7 1HA GLY 2 1HA GLY 2 1.070 1.614 -5.596 8 2HA GLY 2 2HA GLY 2 2.665 1.439 -6.311 9 H SER 3 H SER 3 2.564 4.142 -4.256 10 HA SER 3 HA SER 3 2.737 6.065 -6.456 11 1HB SER 3 1HB SER 3 0.279 5.968 -6.043 12 2HB SER 3 2HB SER 3 0.561 6.281 -4.324 13 HG SER 3 HG SER 3 0.934 8.007 -6.548 14 H ASP 4 H ASP 4 3.833 7.932 -5.822 15 HA ASP 4 HA ASP 4 5.376 7.978 -3.364 16 1HB ASP 4 1HB ASP 4 6.096 8.969 -5.529 17 2HB ASP 4 2HB ASP 4 4.804 10.161 -5.406 18 H GLY 5 H GLY 5 2.185 9.113 -4.204 19 1HA GLY 5 1HA GLY 5 0.790 10.730 -3.173 20 2HA GLY 5 2HA GLY 5 1.939 10.928 -1.858 21 H GLY 6 H GLY 6 1.492 7.624 -2.345 22 1HA GLY 6 1HA GLY 6 -0.004 6.004 -1.486 23 2HA GLY 6 2HA GLY 6 -1.024 7.283 -0.842 24 H VAL 7 H VAL 7 -1.035 7.445 1.299 25 HA VAL 7 HA VAL 7 1.125 7.066 3.155 26 HB VAL 7 HB VAL 7 -1.869 6.846 3.662 27 1HG1 VAL 7 1HG1 VAL 7 0.470 7.322 5.574 28 2HG1 VAL 7 2HG1 VAL 7 -1.251 7.415 6.002 29 3HG1 VAL 7 3HG1 VAL 7 -0.554 5.870 5.522 30 1HG2 VAL 7 1HG2 VAL 7 0.032 9.219 3.921 31 2HG2 VAL 7 2HG2 VAL 7 -1.290 9.059 2.744 32 3HG2 VAL 7 3HG2 VAL 7 -1.659 9.186 4.462 33 H CYS 8 H CYS 8 2.226 5.222 2.838 34 HA CYS 8 HA CYS 8 0.953 2.656 3.620 35 1HB CYS 8 1HB CYS 8 0.831 2.806 1.174 36 2HB CYS 8 2HB CYS 8 2.574 3.089 1.102 37 HA PRO 9 HA PRO 9 4.930 2.853 5.898 38 1HB PRO 9 1HB PRO 9 3.702 0.395 7.120 39 2HB PRO 9 2HB PRO 9 4.542 1.755 7.919 40 1HG PRO 9 1HG PRO 9 1.839 1.588 7.978 41 2HG PRO 9 2HG PRO 9 2.634 3.169 7.677 42 1HD PRO 9 1HD PRO 9 1.435 1.256 5.655 43 2HD PRO 9 2HD PRO 9 1.251 3.035 5.786 44 H LYS 10 H LYS 10 4.023 0.740 3.505 45 HA LYS 10 HA LYS 10 4.895 -1.055 2.353 46 1HB LYS 10 1HB LYS 10 7.494 0.311 3.134 47 2HB LYS 10 2HB LYS 10 7.308 -0.896 1.857 48 1HG LYS 10 1HG LYS 10 5.777 0.600 0.623 49 2HG LYS 10 2HG LYS 10 5.947 1.829 1.893 50 1HD LYS 10 1HD LYS 10 8.390 1.933 1.486 51 2HD LYS 10 2HD LYS 10 8.222 0.731 0.188 52 1HE LYS 10 1HE LYS 10 6.728 2.259 -1.049 53 2HE LYS 10 2HE LYS 10 6.834 3.449 0.258 54 1HZ LYS 10 1HZ LYS 10 9.126 2.529 -1.401 55 2HZ LYS 10 2HZ LYS 10 8.378 3.972 -1.543 56 3HZ LYS 10 3HZ LYS 10 9.223 3.626 -0.193 57 H ILE 11 H ILE 11 3.976 -2.203 4.346 58 HA ILE 11 HA ILE 11 5.855 -3.554 6.094 59 HB ILE 11 HB ILE 11 3.867 -4.697 6.971 60 1HG1 ILE 11 1HG1 ILE 11 2.237 -3.179 4.871 61 2HG1 ILE 11 2HG1 ILE 11 2.574 -4.907 4.832 62 1HG2 ILE 11 1HG2 ILE 11 4.571 -2.367 7.680 63 2HG2 ILE 11 2HG2 ILE 11 3.287 -1.737 6.620 64 3HG2 ILE 11 3HG2 ILE 11 2.883 -2.769 8.004 65 1HD1 ILE 11 1HD1 ILE 11 1.413 -5.136 7.058 66 2HD1 ILE 11 2HD1 ILE 11 0.929 -3.436 6.920 67 3HD1 ILE 11 3HD1 ILE 11 0.372 -4.612 5.717 68 H LEU 12 H LEU 12 5.978 -5.787 6.357 69 HA LEU 12 HA LEU 12 6.347 -7.312 3.845 70 1HB LEU 12 1HB LEU 12 7.085 -8.043 6.698 71 2HB LEU 12 2HB LEU 12 7.539 -8.936 5.245 72 HG LEU 12 HG LEU 12 8.441 -6.096 5.909 73 1HD1 LEU 12 1HD1 LEU 12 9.444 -7.824 7.357 74 2HD1 LEU 12 2HD1 LEU 12 9.954 -8.740 5.920 75 3HD1 LEU 12 3HD1 LEU 12 10.639 -7.133 6.249 76 1HD2 LEU 12 1HD2 LEU 12 9.211 -7.954 3.611 77 2HD2 LEU 12 2HD2 LEU 12 8.355 -6.399 3.475 78 3HD2 LEU 12 3HD2 LEU 12 10.032 -6.431 4.020 79 H LYS 13 H LYS 13 3.609 -6.833 5.172 80 HA LYS 13 HA LYS 13 2.456 -9.451 5.674 81 1HB LYS 13 1HB LYS 13 1.335 -7.375 6.346 82 2HB LYS 13 2HB LYS 13 1.190 -6.875 4.650 83 1HG LYS 13 1HG LYS 13 -0.206 -8.895 4.206 84 2HG LYS 13 2HG LYS 13 -0.115 -9.331 5.916 85 1HD LYS 13 1HD LYS 13 -1.316 -6.762 4.781 86 2HD LYS 13 2HD LYS 13 -2.228 -8.218 5.201 87 1HE LYS 13 1HE LYS 13 -1.404 -8.002 7.570 88 2HE LYS 13 2HE LYS 13 -0.652 -6.462 7.129 89 1HZ LYS 13 1HZ LYS 13 -2.903 -5.685 6.465 90 2HZ LYS 13 2HZ LYS 13 -3.554 -7.085 6.964 91 3HZ LYS 13 3HZ LYS 13 -2.856 -6.088 8.055 92 H LYS 14 H LYS 14 2.393 -11.066 4.256 93 HA LYS 14 HA LYS 14 2.586 -10.779 1.362 94 1HB LYS 14 1HB LYS 14 1.752 -13.128 3.129 95 2HB LYS 14 2HB LYS 14 1.849 -13.184 1.360 96 1HG LYS 14 1HG LYS 14 4.241 -12.657 1.426 97 2HG LYS 14 2HG LYS 14 4.197 -12.574 3.203 98 1HD LYS 14 1HD LYS 14 3.489 -14.949 3.296 99 2HD LYS 14 2HD LYS 14 3.522 -15.032 1.520 100 1HE LYS 14 1HE LYS 14 5.939 -14.474 1.540 101 2HE LYS 14 2HE LYS 14 5.910 -14.383 3.305 102 1HZ LYS 14 1HZ LYS 14 5.323 -16.828 1.717 103 2HZ LYS 14 2HZ LYS 14 6.704 -16.546 2.541 104 3HZ LYS 14 3HZ LYS 14 5.301 -16.745 3.349 105 H CYS 15 H CYS 15 0.960 -10.859 -0.065 106 HA CYS 15 HA CYS 15 -1.904 -10.953 0.840 107 1HB CYS 15 1HB CYS 15 -2.415 -8.821 -0.239 108 2HB CYS 15 2HB CYS 15 -1.203 -8.630 0.992 109 H ARG 16 H ARG 16 -3.446 -10.782 -0.881 110 HA ARG 16 HA ARG 16 -2.636 -11.676 -3.620 111 1HB ARG 16 1HB ARG 16 -3.358 -13.623 -2.178 112 2HB ARG 16 2HB ARG 16 -4.958 -12.883 -2.049 113 1HG ARG 16 1HG ARG 16 -5.285 -13.111 -4.479 114 2HG ARG 16 2HG ARG 16 -3.610 -13.675 -4.675 115 1HD ARG 16 1HD ARG 16 -4.122 -15.648 -3.264 116 2HD ARG 16 2HD ARG 16 -5.797 -15.082 -3.084 117 HE ARG 16 HE ARG 16 -5.250 -15.242 -5.862 118 1HH1 ARG 16 1HH1 ARG 16 -5.884 -16.917 -7.151 119 2HH1 ARG 16 2HH1 ARG 16 -6.241 -18.469 -6.444 120 1HH2 ARG 16 1HH2 ARG 16 -5.570 -17.515 -3.221 121 2HH2 ARG 16 2HH2 ARG 16 -6.069 -18.809 -4.281 122 H ARG 17 H ARG 17 -4.523 -9.659 -1.611 123 HA ARG 17 HA ARG 17 -6.011 -8.447 -3.933 124 1HB ARG 17 1HB ARG 17 -6.939 -8.499 -1.037 125 2HB ARG 17 2HB ARG 17 -7.870 -8.023 -2.451 126 1HG ARG 17 1HG ARG 17 -7.967 -10.372 -3.201 127 2HG ARG 17 2HG ARG 17 -6.976 -10.872 -1.812 128 1HD ARG 17 1HD ARG 17 -9.689 -9.524 -1.592 129 2HD ARG 17 2HD ARG 17 -9.399 -11.267 -1.445 130 HE ARG 17 HE ARG 17 -7.652 -10.131 0.418 131 1HH1 ARG 17 1HH1 ARG 17 -7.919 -9.759 2.390 132 2HH1 ARG 17 2HH1 ARG 17 -9.510 -9.598 3.153 133 1HH2 ARG 17 1HH2 ARG 17 -11.147 -10.049 0.118 134 2HH2 ARG 17 2HH2 ARG 17 -11.333 -9.749 1.831 135 H ASP 18 H ASP 18 -6.205 -6.149 -3.841 136 HA ASP 18 HA ASP 18 -4.228 -4.654 -2.322 137 1HB ASP 18 1HB ASP 18 -6.781 -3.645 -3.630 138 2HB ASP 18 2HB ASP 18 -5.412 -2.662 -3.091 139 H SER 19 H SER 19 -7.428 -5.789 -1.588 140 HA SER 19 HA SER 19 -8.129 -4.120 0.637 141 1HB SER 19 1HB SER 19 -8.964 -6.989 0.053 142 2HB SER 19 2HB SER 19 -9.820 -5.821 1.071 143 HG SER 19 HG SER 19 -10.163 -4.541 -0.813 144 H ASP 20 H ASP 20 -5.918 -6.807 0.348 145 HA ASP 20 HA ASP 20 -5.868 -7.647 3.134 146 1HB ASP 20 1HB ASP 20 -3.832 -7.766 0.896 147 2HB ASP 20 2HB ASP 20 -3.595 -8.593 2.400 148 H CYS 21 H CYS 21 -4.495 -4.915 1.451 149 HA CYS 21 HA CYS 21 -2.401 -4.492 3.492 150 1HB CYS 21 1HB CYS 21 -2.868 -3.216 0.780 151 2HB CYS 21 2HB CYS 21 -1.441 -3.004 1.799 152 HA PRO 22 HA PRO 22 -4.462 -1.105 5.401 153 1HB PRO 22 1HB PRO 22 -2.453 0.202 6.681 154 2HB PRO 22 2HB PRO 22 -2.843 -1.505 7.038 155 1HG PRO 22 1HG PRO 22 -0.709 -0.449 5.149 156 2HG PRO 22 2HG PRO 22 -0.508 -1.622 6.487 157 1HD PRO 22 1HD PRO 22 -0.886 -2.441 3.914 158 2HD PRO 22 2HD PRO 22 -1.610 -3.328 5.287 159 H GLY 23 H GLY 23 -4.509 1.262 5.736 160 1HA GLY 23 1HA GLY 23 -3.135 3.320 4.639 161 2HA GLY 23 2HA GLY 23 -4.868 3.390 4.932 162 H ALA 24 H ALA 24 -2.433 3.573 2.628 163 HA ALA 24 HA ALA 24 -4.314 3.422 0.304 164 1HB ALA 24 1HB ALA 24 -3.659 5.733 1.006 165 2HB ALA 24 2HB ALA 24 -3.120 5.316 -0.634 166 3HB ALA 24 3HB ALA 24 -1.960 5.287 0.703 167 H CYS 25 H CYS 25 -2.172 1.429 1.533 168 HA CYS 25 HA CYS 25 -0.187 1.004 -0.498 169 1HB CYS 25 1HB CYS 25 -1.543 -0.936 1.393 170 2HB CYS 25 2HB CYS 25 -0.071 -1.266 0.498 171 H ILE 26 H ILE 26 -0.130 -1.000 -1.721 172 HA ILE 26 HA ILE 26 -2.667 -2.092 -2.847 173 HB ILE 26 HB ILE 26 -1.592 -2.243 -5.062 174 1HG1 ILE 26 1HG1 ILE 26 0.518 -0.240 -4.232 175 2HG1 ILE 26 2HG1 ILE 26 0.838 -1.959 -4.066 176 1HG2 ILE 26 1HG2 ILE 26 -3.134 -0.374 -4.517 177 2HG2 ILE 26 2HG2 ILE 26 -1.740 0.639 -4.084 178 3HG2 ILE 26 3HG2 ILE 26 -1.947 0.069 -5.750 179 1HD1 ILE 26 1HD1 ILE 26 0.003 -0.700 -6.705 180 2HD1 ILE 26 2HD1 ILE 26 1.669 -1.017 -6.211 181 3HD1 ILE 26 3HD1 ILE 26 0.544 -2.377 -6.412 182 H CYS 27 H CYS 27 -2.227 -4.215 -3.926 183 HA CYS 27 HA CYS 27 -0.119 -5.773 -2.493 184 1HB CYS 27 1HB CYS 27 -2.457 -6.554 -2.427 185 2HB CYS 27 2HB CYS 27 -2.427 -6.782 -4.182 186 H ARG 28 H ARG 28 1.755 -5.752 -3.481 187 HA ARG 28 HA ARG 28 2.184 -4.997 -6.256 188 1HB ARG 28 1HB ARG 28 4.045 -6.120 -4.105 189 2HB ARG 28 2HB ARG 28 4.597 -5.454 -5.631 190 1HG ARG 28 1HG ARG 28 3.108 -3.894 -3.467 191 2HG ARG 28 2HG ARG 28 4.853 -3.912 -3.684 192 1HD ARG 28 1HD ARG 28 2.854 -2.936 -5.751 193 2HD ARG 28 2HD ARG 28 3.755 -1.896 -4.650 194 HE ARG 28 HE ARG 28 5.861 -2.821 -5.718 195 1HH1 ARG 28 1HH1 ARG 28 6.940 -2.783 -7.619 196 2HH1 ARG 28 2HH1 ARG 28 6.060 -2.682 -9.118 197 1HH2 ARG 28 1HH2 ARG 28 2.954 -2.616 -7.685 198 2HH2 ARG 28 2HH2 ARG 28 3.881 -2.606 -9.159 199 H GLY 29 H GLY 29 3.671 -6.317 -7.578 200 1HA GLY 29 1HA GLY 29 3.734 -8.057 -9.139 201 2HA GLY 29 2HA GLY 29 2.272 -8.710 -8.403 202 H ASN 30 H ASN 30 4.944 -8.266 -6.301 203 HA ASN 30 HA ASN 30 5.989 -11.019 -6.495 204 1HB ASN 30 1HB ASN 30 7.599 -10.364 -4.899 205 2HB ASN 30 2HB ASN 30 7.435 -9.006 -6.010 206 2HD2 ASN 30 2HD2 ASN 30 8.551 -8.869 -3.335 207 1HD2 ASN 30 1HD2 ASN 30 7.467 -7.820 -2.429 208 H GLY 31 H GLY 31 3.210 -9.772 -5.069 209 1HA GLY 31 1HA GLY 31 2.844 -12.201 -3.431 210 2HA GLY 31 2HA GLY 31 1.628 -10.999 -3.846 211 H TYR 32 H TYR 32 3.435 -8.775 -2.830 212 HA TYR 32 HA TYR 32 2.734 -9.002 0.069 213 1HB TYR 32 1HB TYR 32 5.309 -8.067 -1.192 214 2HB TYR 32 2HB TYR 32 4.869 -7.622 0.437 215 HD1 TYR 32 HD1 TYR 32 5.034 -9.140 2.266 216 HD2 TYR 32 HD2 TYR 32 5.991 -10.425 -1.724 217 HE1 TYR 32 HE1 TYR 32 6.487 -10.934 3.209 218 HE2 TYR 32 HE2 TYR 32 7.351 -12.301 -0.792 219 HH TYR 32 HH TYR 32 7.959 -12.633 2.717 220 H CYS 33 H CYS 33 2.512 -6.916 1.139 221 HA CYS 33 HA CYS 33 1.155 -4.939 -0.446 222 1HB CYS 33 1HB CYS 33 2.208 -4.866 2.398 223 2HB CYS 33 2HB CYS 33 1.144 -3.646 1.695 224 H GLY 34 H GLY 34 1.687 -2.723 -0.857 225 1HA GLY 34 1HA GLY 34 4.176 -2.077 -1.933 226 2HA GLY 34 2HA GLY 34 4.259 -1.545 -0.246 No H/Q in entry = 226 Start of MODEL 7 1 H SER 1 H SER 1 4.338 0.741 -0.291 2 HA SER 1 HA SER 1 2.007 2.187 -0.587 3 1HB SER 1 1HB SER 1 4.783 2.986 -1.529 4 2HB SER 1 2HB SER 1 3.426 4.085 -1.211 5 HG SER 1 HG SER 1 4.736 3.984 0.608 6 H GLY 2 H GLY 2 0.593 2.583 -2.213 7 1HA GLY 2 1HA GLY 2 -0.117 1.984 -4.515 8 2HA GLY 2 2HA GLY 2 1.495 2.334 -5.081 9 H SER 3 H SER 3 0.194 4.598 -2.748 10 HA SER 3 HA SER 3 0.333 6.721 -4.752 11 1HB SER 3 1HB SER 3 -1.889 7.601 -4.444 12 2HB SER 3 2HB SER 3 -2.025 5.928 -4.981 13 HG SER 3 HG SER 3 -2.465 5.311 -2.853 14 H ASP 4 H ASP 4 -0.164 8.893 -3.751 15 HA ASP 4 HA ASP 4 1.067 9.225 -1.098 16 1HB ASP 4 1HB ASP 4 1.129 11.548 -1.663 17 2HB ASP 4 2HB ASP 4 1.702 10.632 -3.048 18 H GLY 5 H GLY 5 -2.003 8.426 -1.974 19 1HA GLY 5 1HA GLY 5 -4.152 8.821 -1.290 20 2HA GLY 5 2HA GLY 5 -3.665 10.428 -0.775 21 H GLY 6 H GLY 6 -1.681 8.577 1.002 22 1HA GLY 6 1HA GLY 6 -3.370 7.290 2.959 23 2HA GLY 6 2HA GLY 6 -2.780 8.855 3.541 24 H VAL 7 H VAL 7 -2.069 6.598 4.893 25 HA VAL 7 HA VAL 7 0.869 6.489 4.540 26 HB VAL 7 HB VAL 7 0.885 5.405 6.747 27 1HG1 VAL 7 1HG1 VAL 7 1.071 7.860 6.536 28 2HG1 VAL 7 2HG1 VAL 7 -0.689 8.012 6.735 29 3HG1 VAL 7 3HG1 VAL 7 0.307 7.370 8.057 30 1HG2 VAL 7 1HG2 VAL 7 -1.352 4.321 6.754 31 2HG2 VAL 7 2HG2 VAL 7 -1.094 5.338 8.174 32 3HG2 VAL 7 3HG2 VAL 7 -2.123 5.920 6.855 33 H CYS 8 H CYS 8 2.007 4.601 4.557 34 HA CYS 8 HA CYS 8 0.724 1.985 4.485 35 1HB CYS 8 1HB CYS 8 0.675 2.535 2.104 36 2HB CYS 8 2HB CYS 8 2.398 2.919 2.121 37 HA PRO 9 HA PRO 9 4.436 1.819 6.973 38 1HB PRO 9 1HB PRO 9 4.232 -0.659 8.093 39 2HB PRO 9 2HB PRO 9 3.110 0.679 8.470 40 1HG PRO 9 1HG PRO 9 2.700 -1.552 6.446 41 2HG PRO 9 2HG PRO 9 1.590 -1.034 7.756 42 1HD PRO 9 1HD PRO 9 1.319 -0.137 5.217 43 2HD PRO 9 2HD PRO 9 1.022 0.951 6.605 44 H LYS 10 H LYS 10 4.145 -0.100 4.185 45 HA LYS 10 HA LYS 10 5.531 -1.477 2.935 46 1HB LYS 10 1HB LYS 10 7.547 0.595 3.868 47 2HB LYS 10 2HB LYS 10 7.769 -0.525 2.521 48 1HG LYS 10 1HG LYS 10 5.841 0.484 1.333 49 2HG LYS 10 2HG LYS 10 5.595 1.599 2.683 50 1HD LYS 10 1HD LYS 10 6.798 2.790 0.988 51 2HD LYS 10 2HD LYS 10 7.907 2.506 2.331 52 1HE LYS 10 1HE LYS 10 8.893 0.581 1.088 53 2HE LYS 10 2HE LYS 10 7.752 0.852 -0.237 54 1HZ LYS 10 1HZ LYS 10 8.768 3.046 -0.567 55 2HZ LYS 10 2HZ LYS 10 9.819 2.793 0.659 56 3HZ LYS 10 3HZ LYS 10 9.905 1.882 -0.690 57 H ILE 11 H ILE 11 5.084 -3.064 4.712 58 HA ILE 11 HA ILE 11 7.656 -4.311 5.574 59 HB ILE 11 HB ILE 11 6.346 -5.281 7.553 60 1HG1 ILE 11 1HG1 ILE 11 4.644 -3.818 8.560 61 2HG1 ILE 11 2HG1 ILE 11 4.564 -2.846 7.098 62 1HG2 ILE 11 1HG2 ILE 11 8.185 -3.654 7.710 63 2HG2 ILE 11 2HG2 ILE 11 7.028 -2.319 7.528 64 3HG2 ILE 11 3HG2 ILE 11 6.955 -3.377 8.950 65 1HD1 ILE 11 1HD1 ILE 11 3.860 -5.807 7.272 66 2HD1 ILE 11 2HD1 ILE 11 2.685 -4.477 7.336 67 3HD1 ILE 11 3HD1 ILE 11 3.615 -4.747 5.856 68 H LEU 12 H LEU 12 7.361 -6.661 6.113 69 HA LEU 12 HA LEU 12 6.748 -7.921 3.598 70 1HB LEU 12 1HB LEU 12 7.790 -9.061 6.217 71 2HB LEU 12 2HB LEU 12 7.789 -9.909 4.672 72 HG LEU 12 HG LEU 12 9.362 -7.363 5.250 73 1HD1 LEU 12 1HD1 LEU 12 10.214 -9.348 6.441 74 2HD1 LEU 12 2HD1 LEU 12 10.265 -10.251 4.909 75 3HD1 LEU 12 3HD1 LEU 12 11.317 -8.838 5.153 76 1HD2 LEU 12 1HD2 LEU 12 9.309 -9.183 2.798 77 2HD2 LEU 12 2HD2 LEU 12 8.795 -7.481 2.863 78 3HD2 LEU 12 3HD2 LEU 12 10.495 -7.892 3.091 79 H LYS 13 H LYS 13 4.333 -7.074 4.741 80 HA LYS 13 HA LYS 13 2.743 -9.400 5.600 81 1HB LYS 13 1HB LYS 13 2.240 -7.029 6.215 82 2HB LYS 13 2HB LYS 13 1.811 -6.696 4.532 83 1HG LYS 13 1HG LYS 13 0.010 -8.438 4.707 84 2HG LYS 13 2HG LYS 13 0.514 -8.745 6.383 85 1HD LYS 13 1HD LYS 13 0.116 -6.185 6.747 86 2HD LYS 13 2HD LYS 13 -0.795 -6.248 5.234 87 1HE LYS 13 1HE LYS 13 -1.295 -7.915 7.744 88 2HE LYS 13 2HE LYS 13 -2.208 -6.482 7.270 89 1HZ LYS 13 1HZ LYS 13 -2.935 -7.658 5.275 90 2HZ LYS 13 2HZ LYS 13 -2.105 -9.010 5.706 91 3HZ LYS 13 3HZ LYS 13 -3.369 -8.499 6.609 92 H LYS 14 H LYS 14 2.636 -11.045 4.164 93 HA LYS 14 HA LYS 14 2.500 -10.838 1.285 94 1HB LYS 14 1HB LYS 14 1.625 -13.036 3.210 95 2HB LYS 14 2HB LYS 14 1.522 -13.157 1.448 96 1HG LYS 14 1HG LYS 14 3.959 -12.825 1.251 97 2HG LYS 14 2HG LYS 14 4.093 -12.753 3.025 98 1HD LYS 14 1HD LYS 14 3.220 -15.063 3.197 99 2HD LYS 14 2HD LYS 14 2.962 -15.109 1.450 100 1HE LYS 14 1HE LYS 14 4.958 -16.330 1.890 101 2HE LYS 14 2HE LYS 14 5.408 -14.830 1.075 102 1HZ LYS 14 1HZ LYS 14 5.592 -15.276 4.012 103 2HZ LYS 14 2HZ LYS 14 6.852 -15.336 2.974 104 3HZ LYS 14 3HZ LYS 14 6.084 -13.929 3.212 105 H CYS 15 H CYS 15 0.835 -10.813 -0.027 106 HA CYS 15 HA CYS 15 -1.991 -10.709 1.027 107 1HB CYS 15 1HB CYS 15 -2.436 -8.677 -0.271 108 2HB CYS 15 2HB CYS 15 -1.163 -8.430 0.897 109 H ARG 16 H ARG 16 -3.657 -10.823 -0.522 110 HA ARG 16 HA ARG 16 -3.094 -12.351 -3.063 111 1HB ARG 16 1HB ARG 16 -5.590 -12.257 -1.336 112 2HB ARG 16 2HB ARG 16 -5.309 -13.345 -2.681 113 1HG ARG 16 1HG ARG 16 -3.811 -14.701 -1.480 114 2HG ARG 16 2HG ARG 16 -3.471 -13.481 -0.254 115 1HD ARG 16 1HD ARG 16 -6.157 -14.847 -0.591 116 2HD ARG 16 2HD ARG 16 -4.911 -15.296 0.590 117 HE ARG 16 HE ARG 16 -5.488 -12.496 0.886 118 1HH1 ARG 16 1HH1 ARG 16 -6.755 -11.681 2.454 119 2HH1 ARG 16 2HH1 ARG 16 -7.815 -12.735 3.370 120 1HH2 ARG 16 1HH2 ARG 16 -7.019 -15.568 1.601 121 2HH2 ARG 16 2HH2 ARG 16 -7.985 -14.878 2.882 122 H ARG 17 H ARG 17 -4.392 -9.486 -1.805 123 HA ARG 17 HA ARG 17 -5.589 -8.399 -4.262 124 1HB ARG 17 1HB ARG 17 -7.819 -8.063 -3.142 125 2HB ARG 17 2HB ARG 17 -7.463 -9.771 -3.416 126 1HG ARG 17 1HG ARG 17 -6.735 -10.019 -1.060 127 2HG ARG 17 2HG ARG 17 -7.036 -8.302 -0.779 128 1HD ARG 17 1HD ARG 17 -9.451 -8.689 -1.200 129 2HD ARG 17 2HD ARG 17 -9.111 -10.429 -1.385 130 HE ARG 17 HE ARG 17 -7.864 -9.826 0.990 131 1HH1 ARG 17 1HH1 ARG 17 -11.225 -9.335 0.136 132 2HH1 ARG 17 2HH1 ARG 17 -11.685 -9.258 1.818 133 1HH2 ARG 17 1HH2 ARG 17 -8.429 -9.691 2.925 134 2HH2 ARG 17 2HH2 ARG 17 -10.107 -9.487 3.420 135 H ASP 18 H ASP 18 -6.255 -6.080 -3.848 136 HA ASP 18 HA ASP 18 -4.239 -4.754 -2.240 137 1HB ASP 18 1HB ASP 18 -6.751 -3.551 -3.452 138 2HB ASP 18 2HB ASP 18 -5.317 -2.679 -2.885 139 H SER 19 H SER 19 -7.480 -5.778 -1.537 140 HA SER 19 HA SER 19 -8.006 -4.114 0.770 141 1HB SER 19 1HB SER 19 -9.204 -6.816 0.072 142 2HB SER 19 2HB SER 19 -9.875 -5.613 1.187 143 HG SER 19 HG SER 19 -10.866 -5.474 -0.868 144 H ASP 20 H ASP 20 -5.948 -6.792 0.378 145 HA ASP 20 HA ASP 20 -5.915 -7.707 3.195 146 1HB ASP 20 1HB ASP 20 -4.206 -8.212 0.757 147 2HB ASP 20 2HB ASP 20 -3.665 -8.754 2.313 148 H CYS 21 H CYS 21 -4.804 -4.890 1.652 149 HA CYS 21 HA CYS 21 -2.558 -4.523 3.575 150 1HB CYS 21 1HB CYS 21 -2.944 -3.314 0.823 151 2HB CYS 21 2HB CYS 21 -1.524 -3.165 1.868 152 HA PRO 22 HA PRO 22 -4.806 -1.061 5.176 153 1HB PRO 22 1HB PRO 22 -2.895 0.301 6.562 154 2HB PRO 22 2HB PRO 22 -3.394 -1.362 6.995 155 1HG PRO 22 1HG PRO 22 -1.023 -0.516 5.306 156 2HG PRO 22 2HG PRO 22 -1.022 -1.622 6.716 157 1HD PRO 22 1HD PRO 22 -1.136 -2.565 4.161 158 2HD PRO 22 2HD PRO 22 -2.047 -3.349 5.485 159 H GLY 23 H GLY 23 -4.962 1.267 5.301 160 1HA GLY 23 1HA GLY 23 -3.622 3.380 4.482 161 2HA GLY 23 2HA GLY 23 -5.352 3.277 4.215 162 H ALA 24 H ALA 24 -2.327 3.623 2.784 163 HA ALA 24 HA ALA 24 -3.492 3.799 0.041 164 1HB ALA 24 1HB ALA 24 -2.688 5.869 1.047 165 2HB ALA 24 2HB ALA 24 -1.703 5.432 -0.354 166 3HB ALA 24 3HB ALA 24 -1.070 5.152 1.283 167 H CYS 25 H CYS 25 -2.003 1.390 1.576 168 HA CYS 25 HA CYS 25 0.138 0.730 -0.266 169 1HB CYS 25 1HB CYS 25 -1.593 -1.084 1.425 170 2HB CYS 25 2HB CYS 25 -0.058 -1.499 0.669 171 H ILE 26 H ILE 26 0.022 -1.076 -1.647 172 HA ILE 26 HA ILE 26 -2.569 -2.019 -2.785 173 HB ILE 26 HB ILE 26 -1.411 -2.196 -4.999 174 1HG1 ILE 26 1HG1 ILE 26 0.651 -0.204 -3.996 175 2HG1 ILE 26 2HG1 ILE 26 0.962 -1.926 -3.946 176 1HG2 ILE 26 1HG2 ILE 26 -2.985 -0.378 -4.536 177 2HG2 ILE 26 2HG2 ILE 26 -1.669 0.618 -3.881 178 3HG2 ILE 26 3HG2 ILE 26 -1.687 0.185 -5.601 179 1HD1 ILE 26 1HD1 ILE 26 0.294 -0.392 -6.486 180 2HD1 ILE 26 2HD1 ILE 26 1.904 -0.893 -5.963 181 3HD1 ILE 26 3HD1 ILE 26 0.697 -2.136 -6.361 182 H CYS 27 H CYS 27 -2.274 -4.151 -3.823 183 HA CYS 27 HA CYS 27 -0.201 -5.804 -2.446 184 1HB CYS 27 1HB CYS 27 -2.532 -6.507 -2.215 185 2HB CYS 27 2HB CYS 27 -2.695 -6.643 -3.976 186 H ARG 28 H ARG 28 1.615 -5.820 -3.546 187 HA ARG 28 HA ARG 28 1.732 -5.040 -6.363 188 1HB ARG 28 1HB ARG 28 3.870 -5.620 -4.264 189 2HB ARG 28 2HB ARG 28 4.196 -4.954 -5.875 190 1HG ARG 28 1HG ARG 28 2.731 -3.041 -5.405 191 2HG ARG 28 2HG ARG 28 2.377 -3.661 -3.785 192 1HD ARG 28 1HD ARG 28 5.050 -2.692 -4.785 193 2HD ARG 28 2HD ARG 28 3.929 -1.856 -3.693 194 HE ARG 28 HE ARG 28 4.232 -3.948 -2.179 195 1HH1 ARG 28 1HH1 ARG 28 5.722 -4.550 -0.741 196 2HH1 ARG 28 2HH1 ARG 28 7.421 -4.451 -1.137 197 1HH2 ARG 28 1HH2 ARG 28 6.924 -2.872 -4.143 198 2HH2 ARG 28 2HH2 ARG 28 8.090 -3.524 -3.022 199 H GLY 29 H GLY 29 3.514 -6.158 -7.657 200 1HA GLY 29 1HA GLY 29 3.830 -7.904 -9.173 201 2HA GLY 29 2HA GLY 29 2.417 -8.696 -8.475 202 H ASN 30 H ASN 30 4.921 -7.949 -6.287 203 HA ASN 30 HA ASN 30 6.322 -10.529 -6.345 204 1HB ASN 30 1HB ASN 30 7.537 -9.678 -4.439 205 2HB ASN 30 2HB ASN 30 7.458 -8.436 -5.685 206 2HD2 ASN 30 2HD2 ASN 30 8.179 -7.497 -3.296 207 1HD2 ASN 30 1HD2 ASN 30 6.811 -6.695 -2.524 208 H GLY 31 H GLY 31 3.283 -9.583 -5.087 209 1HA GLY 31 1HA GLY 31 3.021 -12.102 -3.539 210 2HA GLY 31 2HA GLY 31 1.731 -11.016 -4.040 211 H TYR 32 H TYR 32 3.538 -8.725 -2.834 212 HA TYR 32 HA TYR 32 2.609 -9.029 0.000 213 1HB TYR 32 1HB TYR 32 5.209 -7.955 -1.062 214 2HB TYR 32 2HB TYR 32 4.698 -7.736 0.595 215 HD1 TYR 32 HD1 TYR 32 5.885 -10.229 -1.901 216 HD2 TYR 32 HD2 TYR 32 5.015 -9.421 2.230 217 HE1 TYR 32 HE1 TYR 32 7.168 -12.257 -1.243 218 HE2 TYR 32 HE2 TYR 32 6.352 -11.416 2.906 219 HH TYR 32 HH TYR 32 8.007 -13.486 0.502 220 H CYS 33 H CYS 33 2.340 -7.055 1.146 221 HA CYS 33 HA CYS 33 1.055 -4.949 -0.326 222 1HB CYS 33 1HB CYS 33 2.000 -5.130 2.556 223 2HB CYS 33 2HB CYS 33 0.958 -3.856 1.925 224 H GLY 34 H GLY 34 1.645 -2.760 -0.517 225 1HA GLY 34 1HA GLY 34 4.408 -1.944 -0.850 226 2HA GLY 34 2HA GLY 34 3.810 -1.437 0.728 No H/Q in entry = 226 Start of MODEL 8 1 H SER 1 H SER 1 3.991 0.685 -0.572 2 HA SER 1 HA SER 1 1.617 2.050 -0.826 3 1HB SER 1 1HB SER 1 4.361 3.021 -1.677 4 2HB SER 1 2HB SER 1 2.948 4.035 -1.331 5 HG SER 1 HG SER 1 4.235 3.898 0.505 6 H GLY 2 H GLY 2 0.187 2.392 -2.512 7 1HA GLY 2 1HA GLY 2 -0.618 1.777 -4.668 8 2HA GLY 2 2HA GLY 2 1.016 1.722 -5.288 9 H SER 3 H SER 3 -0.632 2.823 -6.884 10 HA SER 3 HA SER 3 0.311 5.471 -7.368 11 1HB SER 3 1HB SER 3 -1.201 5.339 -9.335 12 2HB SER 3 2HB SER 3 -0.136 3.939 -9.161 13 HG SER 3 HG SER 3 -2.317 3.342 -9.632 14 H ASP 4 H ASP 4 -2.189 4.600 -5.298 15 HA ASP 4 HA ASP 4 -4.142 6.646 -5.603 16 1HB ASP 4 1HB ASP 4 -4.377 4.675 -4.156 17 2HB ASP 4 2HB ASP 4 -3.071 5.250 -3.121 18 H GLY 5 H GLY 5 -0.891 6.824 -4.281 19 1HA GLY 5 1HA GLY 5 -0.970 9.760 -4.305 20 2HA GLY 5 2HA GLY 5 0.440 8.730 -4.105 21 H GLY 6 H GLY 6 -1.966 7.830 -1.888 22 1HA GLY 6 1HA GLY 6 -2.201 8.129 0.418 23 2HA GLY 6 2HA GLY 6 -1.199 9.579 0.342 24 H VAL 7 H VAL 7 -0.678 8.193 2.455 25 HA VAL 7 HA VAL 7 1.893 6.776 2.011 26 HB VAL 7 HB VAL 7 2.163 6.919 4.458 27 1HG1 VAL 7 1HG1 VAL 7 3.089 8.649 2.963 28 2HG1 VAL 7 2HG1 VAL 7 1.606 9.610 3.149 29 3HG1 VAL 7 3HG1 VAL 7 2.654 9.301 4.550 30 1HG2 VAL 7 1HG2 VAL 7 -0.217 7.037 5.179 31 2HG2 VAL 7 2HG2 VAL 7 0.756 8.362 5.828 32 3HG2 VAL 7 3HG2 VAL 7 -0.342 8.663 4.471 33 H CYS 8 H CYS 8 2.358 4.853 3.034 34 HA CYS 8 HA CYS 8 0.149 3.256 4.178 35 1HB CYS 8 1HB CYS 8 0.285 2.364 1.916 36 2HB CYS 8 2HB CYS 8 2.032 2.251 2.007 37 HA PRO 9 HA PRO 9 3.591 2.469 7.093 38 1HB PRO 9 1HB PRO 9 2.258 0.982 8.938 39 2HB PRO 9 2HB PRO 9 2.007 2.741 8.759 40 1HG PRO 9 1HG PRO 9 0.315 0.508 7.592 41 2HG PRO 9 2HG PRO 9 -0.231 1.945 8.513 42 1HD PRO 9 1HD PRO 9 -0.236 1.854 5.780 43 2HD PRO 9 2HD PRO 9 0.109 3.373 6.662 44 H LYS 10 H LYS 10 4.423 1.363 5.176 45 HA LYS 10 HA LYS 10 3.933 -1.285 4.354 46 1HB LYS 10 1HB LYS 10 6.431 0.433 4.178 47 2HB LYS 10 2HB LYS 10 6.292 -1.147 3.401 48 1HG LYS 10 1HG LYS 10 4.378 -0.412 2.081 49 2HG LYS 10 2HG LYS 10 4.405 1.185 2.832 50 1HD LYS 10 1HD LYS 10 6.756 0.015 1.270 51 2HD LYS 10 2HD LYS 10 5.501 1.026 0.547 52 1HE LYS 10 1HE LYS 10 6.024 2.852 2.150 53 2HE LYS 10 2HE LYS 10 7.323 1.868 2.840 54 1HZ LYS 10 1HZ LYS 10 7.211 2.805 0.021 55 2HZ LYS 10 2HZ LYS 10 8.181 3.415 1.181 56 3HZ LYS 10 3HZ LYS 10 8.410 1.888 0.655 57 H ILE 11 H ILE 11 4.074 -3.084 5.374 58 HA ILE 11 HA ILE 11 6.583 -3.916 6.669 59 HB ILE 11 HB ILE 11 5.237 -5.269 8.374 60 1HG1 ILE 11 1HG1 ILE 11 3.192 -4.220 9.265 61 2HG1 ILE 11 2HG1 ILE 11 3.094 -3.148 7.875 62 1HG2 ILE 11 1HG2 ILE 11 6.710 -3.349 8.893 63 2HG2 ILE 11 2HG2 ILE 11 5.318 -2.254 8.726 64 3HG2 ILE 11 3HG2 ILE 11 5.339 -3.485 10.001 65 1HD1 ILE 11 1HD1 ILE 11 2.965 -6.189 7.745 66 2HD1 ILE 11 2HD1 ILE 11 1.551 -5.119 7.773 67 3HD1 ILE 11 3HD1 ILE 11 2.663 -5.056 6.398 68 H LEU 12 H LEU 12 6.554 -6.390 6.936 69 HA LEU 12 HA LEU 12 6.453 -7.367 4.228 70 1HB LEU 12 1HB LEU 12 7.260 -8.756 6.808 71 2HB LEU 12 2HB LEU 12 7.602 -9.340 5.181 72 HG LEU 12 HG LEU 12 8.706 -6.763 6.376 73 1HD1 LEU 12 1HD1 LEU 12 9.645 -8.811 7.381 74 2HD1 LEU 12 2HD1 LEU 12 10.042 -9.431 5.763 75 3HD1 LEU 12 3HD1 LEU 12 10.842 -7.970 6.385 76 1HD2 LEU 12 1HD2 LEU 12 9.271 -8.135 3.708 77 2HD2 LEU 12 2HD2 LEU 12 8.511 -6.542 3.938 78 3HD2 LEU 12 3HD2 LEU 12 10.202 -6.778 4.384 79 H LYS 13 H LYS 13 3.807 -6.976 5.048 80 HA LYS 13 HA LYS 13 2.458 -9.514 5.618 81 1HB LYS 13 1HB LYS 13 1.598 -7.275 6.255 82 2HB LYS 13 2HB LYS 13 1.308 -6.896 4.553 83 1HG LYS 13 1HG LYS 13 -0.293 -8.834 4.471 84 2HG LYS 13 2HG LYS 13 0.086 -9.176 6.172 85 1HD LYS 13 1HD LYS 13 -0.659 -6.705 6.616 86 2HD LYS 13 2HD LYS 13 -1.374 -6.784 4.989 87 1HE LYS 13 1HE LYS 13 -2.595 -8.878 5.735 88 2HE LYS 13 2HE LYS 13 -1.927 -8.623 7.360 89 1HZ LYS 13 1HZ LYS 13 -3.100 -6.471 7.407 90 2HZ LYS 13 2HZ LYS 13 -3.714 -6.750 5.907 91 3HZ LYS 13 3HZ LYS 13 -4.162 -7.690 7.169 92 H LYS 14 H LYS 14 2.544 -11.116 4.165 93 HA LYS 14 HA LYS 14 2.547 -10.811 1.272 94 1HB LYS 14 1HB LYS 14 1.813 -13.170 3.062 95 2HB LYS 14 2HB LYS 14 1.813 -13.215 1.289 96 1HG LYS 14 1HG LYS 14 4.198 -12.607 1.248 97 2HG LYS 14 2HG LYS 14 4.252 -12.633 3.022 98 1HD LYS 14 1HD LYS 14 3.553 -15.015 1.246 99 2HD LYS 14 2HD LYS 14 5.151 -14.691 1.933 100 1HE LYS 14 1HE LYS 14 4.194 -14.798 4.229 101 2HE LYS 14 2HE LYS 14 2.604 -15.170 3.545 102 1HZ LYS 14 1HZ LYS 14 3.567 -17.198 2.590 103 2HZ LYS 14 2HZ LYS 14 5.032 -16.856 3.227 104 3HZ LYS 14 3HZ LYS 14 3.773 -17.190 4.209 105 H CYS 15 H CYS 15 0.873 -10.871 -0.072 106 HA CYS 15 HA CYS 15 -1.949 -11.008 0.988 107 1HB CYS 15 1HB CYS 15 -2.540 -8.911 -0.135 108 2HB CYS 15 2HB CYS 15 -1.289 -8.693 1.048 109 H ARG 16 H ARG 16 -3.589 -10.879 -0.623 110 HA ARG 16 HA ARG 16 -3.039 -12.157 -3.287 111 1HB ARG 16 1HB ARG 16 -5.604 -12.511 -1.687 112 2HB ARG 16 2HB ARG 16 -5.103 -13.335 -3.140 113 1HG ARG 16 1HG ARG 16 -4.942 -14.927 -1.461 114 2HG ARG 16 2HG ARG 16 -3.279 -14.487 -1.822 115 1HD ARG 16 1HD ARG 16 -3.846 -14.847 0.628 116 2HD ARG 16 2HD ARG 16 -3.037 -13.344 0.266 117 HE ARG 16 HE ARG 16 -4.987 -12.101 0.761 118 1HH1 ARG 16 1HH1 ARG 16 -6.770 -11.733 1.881 119 2HH1 ARG 16 2HH1 ARG 16 -7.879 -13.043 2.255 120 1HH2 ARG 16 1HH2 ARG 16 -5.865 -15.495 0.922 121 2HH2 ARG 16 2HH2 ARG 16 -7.361 -15.132 1.746 122 H ARG 17 H ARG 17 -4.705 -9.733 -1.420 123 HA ARG 17 HA ARG 17 -5.801 -8.400 -3.873 124 1HB ARG 17 1HB ARG 17 -7.142 -9.007 -1.193 125 2HB ARG 17 2HB ARG 17 -7.729 -7.727 -2.227 126 1HG ARG 17 1HG ARG 17 -7.624 -10.665 -2.932 127 2HG ARG 17 2HG ARG 17 -9.039 -9.712 -2.480 128 1HD ARG 17 1HD ARG 17 -7.401 -9.483 -5.036 129 2HD ARG 17 2HD ARG 17 -9.070 -10.003 -4.881 130 HE ARG 17 HE ARG 17 -9.705 -7.706 -4.245 131 1HH1 ARG 17 1HH1 ARG 17 -9.459 -5.492 -4.510 132 2HH1 ARG 17 2HH1 ARG 17 -8.010 -4.922 -5.329 133 1HH2 ARG 17 1HH2 ARG 17 -6.651 -7.891 -6.026 134 2HH2 ARG 17 2HH2 ARG 17 -6.549 -6.130 -6.048 135 H ASP 18 H ASP 18 -6.157 -6.181 -3.713 136 HA ASP 18 HA ASP 18 -4.326 -4.605 -2.131 137 1HB ASP 18 1HB ASP 18 -6.917 -3.651 -3.402 138 2HB ASP 18 2HB ASP 18 -5.475 -2.695 -3.043 139 H SER 19 H SER 19 -7.557 -5.812 -1.555 140 HA SER 19 HA SER 19 -8.355 -4.236 0.689 141 1HB SER 19 1HB SER 19 -9.123 -7.104 0.025 142 2HB SER 19 2HB SER 19 -10.035 -5.951 1.015 143 HG SER 19 HG SER 19 -10.886 -6.043 -1.089 144 H ASP 20 H ASP 20 -6.162 -6.943 0.397 145 HA ASP 20 HA ASP 20 -6.043 -7.692 3.226 146 1HB ASP 20 1HB ASP 20 -4.043 -7.936 0.965 147 2HB ASP 20 2HB ASP 20 -3.742 -8.622 2.504 148 H CYS 21 H CYS 21 -4.822 -4.948 1.471 149 HA CYS 21 HA CYS 21 -2.605 -4.531 3.381 150 1HB CYS 21 1HB CYS 21 -3.211 -3.231 0.712 151 2HB CYS 21 2HB CYS 21 -1.742 -3.027 1.668 152 HA PRO 22 HA PRO 22 -4.506 -0.965 5.277 153 1HB PRO 22 1HB PRO 22 -2.417 0.104 6.633 154 2HB PRO 22 2HB PRO 22 -3.029 -1.537 6.997 155 1HG PRO 22 1HG PRO 22 -0.675 -0.783 5.234 156 2HG PRO 22 2HG PRO 22 -0.711 -1.979 6.566 157 1HD PRO 22 1HD PRO 22 -1.045 -2.683 3.933 158 2HD PRO 22 2HD PRO 22 -1.877 -3.540 5.267 159 H GLY 23 H GLY 23 -4.387 1.396 5.455 160 1HA GLY 23 1HA GLY 23 -2.686 3.236 4.367 161 2HA GLY 23 2HA GLY 23 -4.422 3.499 4.505 162 H ALA 24 H ALA 24 -1.975 3.790 2.430 163 HA ALA 24 HA ALA 24 -3.655 3.607 -0.007 164 1HB ALA 24 1HB ALA 24 -2.584 5.759 0.674 165 2HB ALA 24 2HB ALA 24 -2.079 5.196 -0.929 166 3HB ALA 24 3HB ALA 24 -0.990 4.987 0.453 167 H CYS 25 H CYS 25 -1.810 1.353 1.422 168 HA CYS 25 HA CYS 25 -0.048 0.570 -0.733 169 1HB CYS 25 1HB CYS 25 -1.153 -0.917 1.653 170 2HB CYS 25 2HB CYS 25 -0.333 -1.735 0.355 171 H ILE 26 H ILE 26 -0.219 -1.197 -1.985 172 HA ILE 26 HA ILE 26 -2.860 -2.326 -2.793 173 HB ILE 26 HB ILE 26 -1.914 -2.494 -5.118 174 1HG1 ILE 26 1HG1 ILE 26 0.130 -0.410 -4.294 175 2HG1 ILE 26 2HG1 ILE 26 0.513 -2.120 -4.329 176 1HG2 ILE 26 1HG2 ILE 26 -3.575 -0.787 -4.502 177 2HG2 ILE 26 2HG2 ILE 26 -2.284 0.342 -4.058 178 3HG2 ILE 26 3HG2 ILE 26 -2.480 -0.179 -5.746 179 1HD1 ILE 26 1HD1 ILE 26 -0.488 -0.603 -6.759 180 2HD1 ILE 26 2HD1 ILE 26 1.206 -0.927 -6.383 181 3HD1 ILE 26 3HD1 ILE 26 0.118 -2.295 -6.684 182 H CYS 27 H CYS 27 -2.491 -4.477 -3.896 183 HA CYS 27 HA CYS 27 -0.311 -5.971 -2.520 184 1HB CYS 27 1HB CYS 27 -2.637 -6.806 -2.541 185 2HB CYS 27 2HB CYS 27 -2.512 -7.083 -4.287 186 H ARG 28 H ARG 28 1.550 -5.673 -3.456 187 HA ARG 28 HA ARG 28 1.960 -4.776 -6.175 188 1HB ARG 28 1HB ARG 28 3.898 -5.823 -4.051 189 2HB ARG 28 2HB ARG 28 4.398 -4.986 -5.509 190 1HG ARG 28 1HG ARG 28 2.654 -3.745 -3.330 191 2HG ARG 28 2HG ARG 28 4.405 -3.607 -3.399 192 1HD ARG 28 1HD ARG 28 2.535 -2.652 -5.594 193 2HD ARG 28 2HD ARG 28 3.160 -1.627 -4.306 194 HE ARG 28 HE ARG 28 5.447 -2.037 -5.130 195 1HH1 ARG 28 1HH1 ARG 28 6.783 -1.866 -6.855 196 2HH1 ARG 28 2HH1 ARG 28 6.151 -2.042 -8.467 197 1HH2 ARG 28 1HH2 ARG 28 2.914 -2.579 -7.506 198 2HH2 ARG 28 2HH2 ARG 28 4.041 -2.449 -8.828 199 H GLY 29 H GLY 29 3.670 -5.872 -7.490 200 1HA GLY 29 1HA GLY 29 4.063 -7.540 -9.087 201 2HA GLY 29 2HA GLY 29 2.620 -8.368 -8.503 202 H ASN 30 H ASN 30 5.037 -7.724 -6.167 203 HA ASN 30 HA ASN 30 6.417 -10.323 -6.333 204 1HB ASN 30 1HB ASN 30 7.668 -9.541 -4.395 205 2HB ASN 30 2HB ASN 30 7.643 -8.324 -5.666 206 2HD2 ASN 30 2HD2 ASN 30 8.315 -6.850 -3.865 207 1HD2 ASN 30 1HD2 ASN 30 7.026 -6.211 -2.848 208 H GLY 31 H GLY 31 3.398 -9.431 -5.063 209 1HA GLY 31 1HA GLY 31 3.173 -11.988 -3.576 210 2HA GLY 31 2HA GLY 31 1.864 -10.927 -4.075 211 H TYR 32 H TYR 32 3.660 -8.663 -2.727 212 HA TYR 32 HA TYR 32 2.533 -9.017 0.029 213 1HB TYR 32 1HB TYR 32 5.151 -7.800 -0.830 214 2HB TYR 32 2HB TYR 32 4.518 -7.676 0.791 215 HD1 TYR 32 HD1 TYR 32 4.976 -9.316 2.407 216 HD2 TYR 32 HD2 TYR 32 5.878 -10.089 -1.728 217 HE1 TYR 32 HE1 TYR 32 6.447 -11.196 3.093 218 HE2 TYR 32 HE2 TYR 32 7.283 -12.038 -1.055 219 HH TYR 32 HH TYR 32 7.831 -12.885 2.384 220 H CYS 33 H CYS 33 2.222 -6.969 1.172 221 HA CYS 33 HA CYS 33 0.908 -4.960 -0.430 222 1HB CYS 33 1HB CYS 33 1.733 -5.042 2.493 223 2HB CYS 33 2HB CYS 33 0.721 -3.782 1.784 224 H GLY 34 H GLY 34 1.548 -2.904 -1.049 225 1HA GLY 34 1HA GLY 34 4.155 -2.061 -1.521 226 2HA GLY 34 2HA GLY 34 3.823 -1.531 0.132 No H/Q in entry = 226 Start of MODEL 9 1 H SER 1 H SER 1 4.531 0.408 -1.174 2 HA SER 1 HA SER 1 2.234 1.981 -1.310 3 1HB SER 1 1HB SER 1 4.906 2.411 -2.694 4 2HB SER 1 2HB SER 1 3.671 3.662 -2.443 5 HG SER 1 HG SER 1 5.429 3.458 -0.813 6 H GLY 2 H GLY 2 0.760 2.582 -2.779 7 1HA GLY 2 1HA GLY 2 -0.508 2.117 -4.803 8 2HA GLY 2 2HA GLY 2 0.961 1.610 -5.609 9 H SER 3 H SER 3 1.822 4.302 -3.961 10 HA SER 3 HA SER 3 2.427 6.401 -4.409 11 1HB SER 3 1HB SER 3 2.033 5.705 -7.331 12 2HB SER 3 2HB SER 3 2.869 7.131 -6.693 13 HG SER 3 HG SER 3 4.319 5.412 -7.187 14 H ASP 4 H ASP 4 -0.342 5.832 -6.618 15 HA ASP 4 HA ASP 4 -1.425 8.496 -6.428 16 1HB ASP 4 1HB ASP 4 -1.909 6.883 -8.243 17 2HB ASP 4 2HB ASP 4 -2.775 5.853 -7.103 18 H GLY 5 H GLY 5 -1.853 5.626 -4.430 19 1HA GLY 5 1HA GLY 5 -3.129 5.240 -2.495 20 2HA GLY 5 2HA GLY 5 -3.939 6.789 -2.700 21 H GLY 6 H GLY 6 -0.619 7.321 -2.902 22 1HA GLY 6 1HA GLY 6 -0.345 8.044 -0.008 23 2HA GLY 6 2HA GLY 6 0.447 8.869 -1.356 24 H VAL 7 H VAL 7 2.078 8.351 0.491 25 HA VAL 7 HA VAL 7 3.852 6.109 -0.255 26 HB VAL 7 HB VAL 7 4.059 8.114 2.043 27 1HG1 VAL 7 1HG1 VAL 7 6.104 6.151 0.899 28 2HG1 VAL 7 2HG1 VAL 7 6.441 7.401 2.115 29 3HG1 VAL 7 3HG1 VAL 7 5.364 6.064 2.514 30 1HG2 VAL 7 1HG2 VAL 7 5.443 8.054 -0.675 31 2HG2 VAL 7 2HG2 VAL 7 4.234 9.243 -0.140 32 3HG2 VAL 7 3HG2 VAL 7 5.809 9.179 0.652 33 H CYS 8 H CYS 8 3.349 4.080 0.445 34 HA CYS 8 HA CYS 8 1.839 3.713 2.946 35 1HB CYS 8 1HB CYS 8 1.467 2.255 0.896 36 2HB CYS 8 2HB CYS 8 3.069 1.577 1.204 37 HA PRO 9 HA PRO 9 5.809 3.003 5.165 38 1HB PRO 9 1HB PRO 9 4.763 2.370 7.620 39 2HB PRO 9 2HB PRO 9 4.920 4.041 7.006 40 1HG PRO 9 1HG PRO 9 2.461 2.272 6.961 41 2HG PRO 9 2HG PRO 9 2.588 3.988 7.464 42 1HD PRO 9 1HD PRO 9 1.731 3.253 4.986 43 2HD PRO 9 2HD PRO 9 2.723 4.729 5.211 44 H LYS 10 H LYS 10 6.291 1.260 3.855 45 HA LYS 10 HA LYS 10 4.948 -1.113 3.462 46 1HB LYS 10 1HB LYS 10 7.941 -0.560 3.266 47 2HB LYS 10 2HB LYS 10 7.146 -1.997 2.613 48 1HG LYS 10 1HG LYS 10 5.770 -0.600 1.113 49 2HG LYS 10 2HG LYS 10 6.491 0.862 1.787 50 1HD LYS 10 1HD LYS 10 7.540 0.406 -0.318 51 2HD LYS 10 2HD LYS 10 8.720 0.171 0.977 52 1HE LYS 10 1HE LYS 10 8.351 -2.296 0.847 53 2HE LYS 10 2HE LYS 10 7.167 -2.048 -0.443 54 1HZ LYS 10 1HZ LYS 10 10.046 -1.312 -0.600 55 2HZ LYS 10 2HZ LYS 10 9.364 -2.598 -1.335 56 3HZ LYS 10 3HZ LYS 10 8.960 -1.087 -1.800 57 H ILE 11 H ILE 11 5.033 -3.112 4.069 58 HA ILE 11 HA ILE 11 6.619 -4.116 6.367 59 HB ILE 11 HB ILE 11 4.560 -5.156 7.359 60 1HG1 ILE 11 1HG1 ILE 11 3.015 -3.177 5.614 61 2HG1 ILE 11 2HG1 ILE 11 3.056 -4.922 5.378 62 1HG2 ILE 11 1HG2 ILE 11 5.688 -3.106 8.265 63 2HG2 ILE 11 2HG2 ILE 11 4.487 -2.117 7.408 64 3HG2 ILE 11 3HG2 ILE 11 3.981 -3.238 8.685 65 1HD1 ILE 11 1HD1 ILE 11 2.061 -5.196 7.688 66 2HD1 ILE 11 2HD1 ILE 11 1.855 -3.429 7.738 67 3HD1 ILE 11 3HD1 ILE 11 1.015 -4.382 6.504 68 H LEU 12 H LEU 12 6.594 -6.449 6.555 69 HA LEU 12 HA LEU 12 6.610 -7.808 3.956 70 1HB LEU 12 1HB LEU 12 7.403 -8.692 6.761 71 2HB LEU 12 2HB LEU 12 7.491 -9.730 5.350 72 HG LEU 12 HG LEU 12 9.651 -8.943 5.860 73 1HD1 LEU 12 1HD1 LEU 12 9.048 -9.274 3.474 74 2HD1 LEU 12 2HD1 LEU 12 8.737 -7.527 3.329 75 3HD1 LEU 12 3HD1 LEU 12 10.365 -8.114 3.713 76 1HD2 LEU 12 1HD2 LEU 12 9.080 -6.769 6.945 77 2HD2 LEU 12 2HD2 LEU 12 10.422 -6.691 5.793 78 3HD2 LEU 12 3HD2 LEU 12 8.834 -6.071 5.320 79 H LYS 13 H LYS 13 3.992 -7.031 4.915 80 HA LYS 13 HA LYS 13 2.532 -9.480 5.645 81 1HB LYS 13 1HB LYS 13 1.878 -7.170 6.368 82 2HB LYS 13 2HB LYS 13 1.403 -6.811 4.701 83 1HG LYS 13 1HG LYS 13 -0.246 -8.665 4.780 84 2HG LYS 13 2HG LYS 13 0.314 -9.096 6.411 85 1HD LYS 13 1HD LYS 13 -0.330 -6.735 7.141 86 2HD LYS 13 2HD LYS 13 -1.132 -6.542 5.576 87 1HE LYS 13 1HE LYS 13 -1.733 -8.691 7.671 88 2HE LYS 13 2HE LYS 13 -2.669 -7.215 7.426 89 1HZ LYS 13 1HZ LYS 13 -3.169 -7.972 5.176 90 2HZ LYS 13 2HZ LYS 13 -2.356 -9.380 5.417 91 3HZ LYS 13 3HZ LYS 13 -3.708 -9.056 6.280 92 H LYS 14 H LYS 14 2.655 -11.042 4.139 93 HA LYS 14 HA LYS 14 2.485 -10.713 1.291 94 1HB LYS 14 1HB LYS 14 2.157 -13.108 1.198 95 2HB LYS 14 2HB LYS 14 3.484 -12.687 2.274 96 1HG LYS 14 1HG LYS 14 1.968 -13.033 4.247 97 2HG LYS 14 2HG LYS 14 0.679 -13.532 3.133 98 1HD LYS 14 1HD LYS 14 2.102 -15.390 2.313 99 2HD LYS 14 2HD LYS 14 3.402 -14.884 3.418 100 1HE LYS 14 1HE LYS 14 1.884 -15.246 5.355 101 2HE LYS 14 2HE LYS 14 0.599 -15.761 4.255 102 1HZ LYS 14 1HZ LYS 14 2.028 -17.616 3.565 103 2HZ LYS 14 2HZ LYS 14 3.214 -17.139 4.584 104 3HZ LYS 14 3HZ LYS 14 1.789 -17.666 5.178 105 H CYS 15 H CYS 15 0.829 -10.955 -0.058 106 HA CYS 15 HA CYS 15 -2.000 -11.025 0.970 107 1HB CYS 15 1HB CYS 15 -2.519 -8.970 -0.296 108 2HB CYS 15 2HB CYS 15 -1.346 -8.711 0.957 109 H ARG 16 H ARG 16 -3.627 -10.932 -0.711 110 HA ARG 16 HA ARG 16 -2.951 -12.172 -3.363 111 1HB ARG 16 1HB ARG 16 -5.350 -12.762 -1.575 112 2HB ARG 16 2HB ARG 16 -5.121 -13.369 -3.219 113 1HG ARG 16 1HG ARG 16 -3.091 -14.600 -2.501 114 2HG ARG 16 2HG ARG 16 -3.321 -14.013 -0.840 115 1HD ARG 16 1HD ARG 16 -5.547 -15.092 -0.763 116 2HD ARG 16 2HD ARG 16 -5.302 -15.714 -2.408 117 HE ARG 16 HE ARG 16 -3.087 -16.578 -0.893 118 1HH1 ARG 16 1HH1 ARG 16 -2.895 -18.584 0.010 119 2HH1 ARG 16 2HH1 ARG 16 -4.323 -19.525 0.347 120 1HH2 ARG 16 1HH2 ARG 16 -6.533 -17.184 -0.823 121 2HH2 ARG 16 2HH2 ARG 16 -6.330 -18.762 -0.108 122 H ARG 17 H ARG 17 -4.723 -9.751 -1.592 123 HA ARG 17 HA ARG 17 -5.456 -8.385 -4.127 124 1HB ARG 17 1HB ARG 17 -7.424 -9.845 -3.067 125 2HB ARG 17 2HB ARG 17 -7.511 -8.488 -1.922 126 1HG ARG 17 1HG ARG 17 -8.061 -6.935 -3.651 127 2HG ARG 17 2HG ARG 17 -7.660 -8.110 -4.922 128 1HD ARG 17 1HD ARG 17 -10.028 -8.024 -4.813 129 2HD ARG 17 2HD ARG 17 -9.545 -9.555 -4.071 130 HE ARG 17 HE ARG 17 -9.948 -7.269 -2.211 131 1HH1 ARG 17 1HH1 ARG 17 -11.488 -7.264 -0.788 132 2HH1 ARG 17 2HH1 ARG 17 -12.790 -8.447 -0.815 133 1HH2 ARG 17 1HH2 ARG 17 -11.585 -10.028 -3.637 134 2HH2 ARG 17 2HH2 ARG 17 -12.833 -9.988 -2.417 135 H ASP 18 H ASP 18 -6.399 -6.218 -3.547 136 HA ASP 18 HA ASP 18 -4.393 -4.753 -1.971 137 1HB ASP 18 1HB ASP 18 -6.947 -3.653 -3.197 138 2HB ASP 18 2HB ASP 18 -5.527 -2.737 -2.662 139 H SER 19 H SER 19 -7.598 -5.967 -1.342 140 HA SER 19 HA SER 19 -8.337 -4.464 0.973 141 1HB SER 19 1HB SER 19 -9.003 -7.371 0.375 142 2HB SER 19 2HB SER 19 -9.937 -6.228 1.353 143 HG SER 19 HG SER 19 -10.212 -4.979 -0.614 144 H ASP 20 H ASP 20 -5.994 -6.941 0.511 145 HA ASP 20 HA ASP 20 -5.747 -7.842 3.310 146 1HB ASP 20 1HB ASP 20 -3.909 -7.999 0.916 147 2HB ASP 20 2HB ASP 20 -3.512 -8.758 2.413 148 H CYS 21 H CYS 21 -4.845 -4.939 1.739 149 HA CYS 21 HA CYS 21 -2.499 -4.486 3.526 150 1HB CYS 21 1HB CYS 21 -3.164 -3.362 0.783 151 2HB CYS 21 2HB CYS 21 -1.687 -3.068 1.686 152 HA PRO 22 HA PRO 22 -4.384 -0.786 5.179 153 1HB PRO 22 1HB PRO 22 -2.244 0.857 5.665 154 2HB PRO 22 2HB PRO 22 -2.561 -0.641 6.593 155 1HG PRO 22 1HG PRO 22 -0.718 -0.284 4.215 156 2HG PRO 22 2HG PRO 22 -0.331 -1.034 5.798 157 1HD PRO 22 1HD PRO 22 -1.011 -2.539 3.656 158 2HD PRO 22 2HD PRO 22 -1.606 -2.966 5.285 159 H GLY 23 H GLY 23 -4.607 1.560 4.829 160 1HA GLY 23 1HA GLY 23 -5.009 3.445 3.540 161 2HA GLY 23 2HA GLY 23 -5.848 2.216 2.594 162 H ALA 24 H ALA 24 -2.505 3.401 2.967 163 HA ALA 24 HA ALA 24 -2.412 4.416 0.225 164 1HB ALA 24 1HB ALA 24 -0.290 4.279 2.404 165 2HB ALA 24 2HB ALA 24 -0.161 5.193 0.883 166 3HB ALA 24 3HB ALA 24 -1.385 5.642 2.078 167 H CYS 25 H CYS 25 -1.685 1.346 1.556 168 HA CYS 25 HA CYS 25 0.285 0.598 -0.512 169 1HB CYS 25 1HB CYS 25 -1.030 -0.882 1.770 170 2HB CYS 25 2HB CYS 25 -0.237 -1.739 0.473 171 H ILE 26 H ILE 26 -0.059 -1.250 -1.750 172 HA ILE 26 HA ILE 26 -2.751 -2.184 -2.566 173 HB ILE 26 HB ILE 26 -1.873 -2.366 -4.908 174 1HG1 ILE 26 1HG1 ILE 26 0.311 -0.409 -4.121 175 2HG1 ILE 26 2HG1 ILE 26 0.597 -2.140 -4.216 176 1HG2 ILE 26 1HG2 ILE 26 -3.404 -0.543 -4.208 177 2HG2 ILE 26 2HG2 ILE 26 -2.007 0.503 -3.884 178 3HG2 ILE 26 3HG2 ILE 26 -2.350 -0.053 -5.537 179 1HD1 ILE 26 1HD1 ILE 26 -0.348 -0.447 -6.551 180 2HD1 ILE 26 2HD1 ILE 26 1.306 -0.999 -6.261 181 3HD1 ILE 26 3HD1 ILE 26 0.042 -2.200 -6.572 182 H CYS 27 H CYS 27 -2.449 -4.365 -3.659 183 HA CYS 27 HA CYS 27 -0.264 -5.921 -2.365 184 1HB CYS 27 1HB CYS 27 -2.578 -6.744 -2.373 185 2HB CYS 27 2HB CYS 27 -2.533 -6.891 -4.136 186 H ARG 28 H ARG 28 1.598 -5.608 -3.331 187 HA ARG 28 HA ARG 28 1.993 -4.643 -6.027 188 1HB ARG 28 1HB ARG 28 3.923 -5.841 -3.982 189 2HB ARG 28 2HB ARG 28 4.429 -4.983 -5.422 190 1HG ARG 28 1HG ARG 28 2.756 -3.713 -3.204 191 2HG ARG 28 2HG ARG 28 4.511 -3.705 -3.223 192 1HD ARG 28 1HD ARG 28 2.785 -2.511 -5.421 193 2HD ARG 28 2HD ARG 28 3.464 -1.602 -4.063 194 HE ARG 28 HE ARG 28 5.571 -3.018 -5.380 195 1HH1 ARG 28 1HH1 ARG 28 6.872 -2.198 -6.956 196 2HH1 ARG 28 2HH1 ARG 28 6.532 -0.628 -7.625 197 1HH2 ARG 28 1HH2 ARG 28 3.756 -0.046 -5.712 198 2HH2 ARG 28 2HH2 ARG 28 4.773 0.516 -7.014 199 H GLY 29 H GLY 29 3.608 -5.759 -7.428 200 1HA GLY 29 1HA GLY 29 3.889 -7.384 -9.094 201 2HA GLY 29 2HA GLY 29 2.416 -8.155 -8.509 202 H ASN 30 H ASN 30 4.917 -7.735 -6.222 203 HA ASN 30 HA ASN 30 6.129 -10.412 -6.499 204 1HB ASN 30 1HB ASN 30 7.493 -9.759 -4.588 205 2HB ASN 30 2HB ASN 30 7.511 -8.519 -5.838 206 2HD2 ASN 30 2HD2 ASN 30 8.328 -7.107 -4.064 207 1HD2 ASN 30 1HD2 ASN 30 7.125 -6.409 -2.983 208 H GLY 31 H GLY 31 3.208 -9.377 -5.135 209 1HA GLY 31 1HA GLY 31 2.864 -11.946 -3.704 210 2HA GLY 31 2HA GLY 31 1.617 -10.779 -4.119 211 H TYR 32 H TYR 32 3.536 -8.653 -2.781 212 HA TYR 32 HA TYR 32 2.500 -9.049 0.002 213 1HB TYR 32 1HB TYR 32 5.212 -8.113 -0.931 214 2HB TYR 32 2HB TYR 32 4.624 -7.795 0.683 215 HD1 TYR 32 HD1 TYR 32 5.482 -10.610 -1.667 216 HD2 TYR 32 HD2 TYR 32 4.997 -9.306 2.403 217 HE1 TYR 32 HE1 TYR 32 6.513 -12.733 -0.860 218 HE2 TYR 32 HE2 TYR 32 6.101 -11.382 3.216 219 HH TYR 32 HH TYR 32 7.039 -13.388 2.623 220 H CYS 33 H CYS 33 2.224 -7.086 1.224 221 HA CYS 33 HA CYS 33 0.994 -4.965 -0.273 222 1HB CYS 33 1HB CYS 33 1.831 -5.172 2.641 223 2HB CYS 33 2HB CYS 33 0.837 -3.875 1.977 224 H GLY 34 H GLY 34 1.696 -2.963 -0.861 225 1HA GLY 34 1HA GLY 34 4.395 -2.267 -1.283 226 2HA GLY 34 2HA GLY 34 3.933 -1.581 0.284 No H/Q in entry = 226 Start of MODEL 10 1 H SER 1 H SER 1 4.431 0.538 -0.115 2 HA SER 1 HA SER 1 2.213 2.146 -0.441 3 1HB SER 1 1HB SER 1 5.067 2.709 -1.319 4 2HB SER 1 2HB SER 1 3.792 3.923 -1.084 5 HG SER 1 HG SER 1 5.039 3.744 0.790 6 H GLY 2 H GLY 2 0.794 2.434 -2.043 7 1HA GLY 2 1HA GLY 2 -0.012 2.013 -4.325 8 2HA GLY 2 2HA GLY 2 1.631 2.162 -4.922 9 H SER 3 H SER 3 -0.657 4.115 -2.935 10 HA SER 3 HA SER 3 -0.609 6.388 -4.730 11 1HB SER 3 1HB SER 3 -1.515 6.219 -1.833 12 2HB SER 3 2HB SER 3 -1.874 7.531 -2.971 13 HG SER 3 HG SER 3 -3.595 6.034 -2.875 14 H ASP 4 H ASP 4 1.367 5.457 -2.072 15 HA ASP 4 HA ASP 4 3.223 6.173 -1.051 16 1HB ASP 4 1HB ASP 4 3.959 6.169 -3.407 17 2HB ASP 4 2HB ASP 4 3.622 7.897 -3.507 18 H GLY 5 H GLY 5 1.181 8.884 -1.920 19 1HA GLY 5 1HA GLY 5 0.921 11.000 -1.002 20 2HA GLY 5 2HA GLY 5 2.387 10.784 -0.054 21 H GLY 6 H GLY 6 0.799 8.135 0.830 22 1HA GLY 6 1HA GLY 6 -1.481 8.262 2.151 23 2HA GLY 6 2HA GLY 6 -0.562 9.359 3.182 24 H VAL 7 H VAL 7 -1.595 7.348 4.422 25 HA VAL 7 HA VAL 7 0.661 6.145 5.706 26 HB VAL 7 HB VAL 7 -2.297 5.580 6.140 27 1HG1 VAL 7 1HG1 VAL 7 0.136 5.067 7.921 28 2HG1 VAL 7 2HG1 VAL 7 -1.560 4.887 8.417 29 3HG1 VAL 7 3HG1 VAL 7 -0.898 3.825 7.178 30 1HG2 VAL 7 1HG2 VAL 7 -0.400 7.539 7.513 31 2HG2 VAL 7 2HG2 VAL 7 -1.783 7.968 6.484 32 3HG2 VAL 7 3HG2 VAL 7 -2.060 7.172 8.031 33 H CYS 8 H CYS 8 1.818 4.642 4.678 34 HA CYS 8 HA CYS 8 0.559 1.996 4.479 35 1HB CYS 8 1HB CYS 8 0.560 2.681 2.155 36 2HB CYS 8 2HB CYS 8 2.292 3.065 2.230 37 HA PRO 9 HA PRO 9 4.531 1.401 6.723 38 1HB PRO 9 1HB PRO 9 3.854 -0.857 8.081 39 2HB PRO 9 2HB PRO 9 3.330 0.777 8.592 40 1HG PRO 9 1HG PRO 9 1.756 -1.279 7.025 41 2HG PRO 9 2HG PRO 9 1.216 -0.292 8.417 42 1HD PRO 9 1HD PRO 9 0.704 0.363 5.797 43 2HD PRO 9 2HD PRO 9 0.901 1.600 7.072 44 H LYS 10 H LYS 10 6.007 0.757 5.294 45 HA LYS 10 HA LYS 10 5.629 -1.435 3.372 46 1HB LYS 10 1HB LYS 10 7.991 0.376 3.992 47 2HB LYS 10 2HB LYS 10 7.981 -0.846 2.713 48 1HG LYS 10 1HG LYS 10 6.073 0.243 1.615 49 2HG LYS 10 2HG LYS 10 6.018 1.490 2.869 50 1HD LYS 10 1HD LYS 10 8.424 0.987 1.062 51 2HD LYS 10 2HD LYS 10 7.161 2.180 0.739 52 1HE LYS 10 1HE LYS 10 7.656 3.300 2.909 53 2HE LYS 10 2HE LYS 10 8.960 2.141 3.204 54 1HZ LYS 10 1HZ LYS 10 10.060 2.970 1.191 55 2HZ LYS 10 2HZ LYS 10 8.858 4.045 0.923 56 3HZ LYS 10 3HZ LYS 10 9.812 4.195 2.238 57 H ILE 11 H ILE 11 5.262 -3.182 4.745 58 HA ILE 11 HA ILE 11 7.768 -4.495 5.699 59 HB ILE 11 HB ILE 11 6.803 -5.482 7.547 60 1HG1 ILE 11 1HG1 ILE 11 4.624 -6.162 6.851 61 2HG1 ILE 11 2HG1 ILE 11 4.543 -5.305 8.370 62 1HG2 ILE 11 1HG2 ILE 11 7.521 -3.175 7.905 63 2HG2 ILE 11 2HG2 ILE 11 5.861 -2.598 7.650 64 3HG2 ILE 11 3HG2 ILE 11 6.235 -3.656 9.022 65 1HD1 ILE 11 1HD1 ILE 11 3.675 -3.284 7.191 66 2HD1 ILE 11 2HD1 ILE 11 3.695 -4.202 5.661 67 3HD1 ILE 11 3HD1 ILE 11 2.645 -4.707 6.991 68 H LEU 12 H LEU 12 7.570 -6.892 5.828 69 HA LEU 12 HA LEU 12 6.638 -7.935 3.266 70 1HB LEU 12 1HB LEU 12 8.087 -9.244 5.595 71 2HB LEU 12 2HB LEU 12 7.769 -10.027 4.049 72 HG LEU 12 HG LEU 12 9.489 -7.535 4.399 73 1HD1 LEU 12 1HD1 LEU 12 10.500 -9.572 5.364 74 2HD1 LEU 12 2HD1 LEU 12 10.244 -10.432 3.830 75 3HD1 LEU 12 3HD1 LEU 12 11.359 -9.049 3.907 76 1HD2 LEU 12 1HD2 LEU 12 8.939 -9.287 1.959 77 2HD2 LEU 12 2HD2 LEU 12 8.501 -7.574 2.153 78 3HD2 LEU 12 3HD2 LEU 12 10.200 -8.036 2.056 79 H LYS 13 H LYS 13 4.421 -7.154 4.417 80 HA LYS 13 HA LYS 13 2.881 -9.416 5.553 81 1HB LYS 13 1HB LYS 13 2.454 -7.014 6.135 82 2HB LYS 13 2HB LYS 13 1.914 -6.725 4.478 83 1HG LYS 13 1HG LYS 13 0.118 -8.454 4.813 84 2HG LYS 13 2HG LYS 13 0.706 -8.692 6.473 85 1HD LYS 13 1HD LYS 13 0.311 -6.163 6.808 86 2HD LYS 13 2HD LYS 13 -0.586 -6.195 5.285 87 1HE LYS 13 1HE LYS 13 -1.170 -7.862 7.779 88 2HE LYS 13 2HE LYS 13 -2.028 -6.393 7.311 89 1HZ LYS 13 1HZ LYS 13 -1.993 -8.899 5.712 90 2HZ LYS 13 2HZ LYS 13 -3.241 -8.376 6.629 91 3HZ LYS 13 3HZ LYS 13 -2.795 -7.521 5.310 92 H LYS 14 H LYS 14 2.691 -11.106 4.147 93 HA LYS 14 HA LYS 14 2.490 -10.957 1.285 94 1HB LYS 14 1HB LYS 14 1.632 -13.123 3.246 95 2HB LYS 14 2HB LYS 14 1.553 -13.282 1.482 96 1HG LYS 14 1HG LYS 14 3.973 -12.868 1.305 97 2HG LYS 14 2HG LYS 14 4.106 -12.777 3.072 98 1HD LYS 14 1HD LYS 14 3.154 -15.213 1.496 99 2HD LYS 14 2HD LYS 14 4.801 -14.966 2.095 100 1HE LYS 14 1HE LYS 14 3.940 -14.847 4.429 101 2HE LYS 14 2HE LYS 14 2.302 -15.145 3.836 102 1HZ LYS 14 1HZ LYS 14 3.068 -17.297 2.986 103 2HZ LYS 14 2HZ LYS 14 4.583 -17.026 3.537 104 3HZ LYS 14 3HZ LYS 14 3.350 -17.199 4.590 105 H CYS 15 H CYS 15 0.863 -10.958 -0.037 106 HA CYS 15 HA CYS 15 -1.981 -10.961 0.939 107 1HB CYS 15 1HB CYS 15 -2.504 -8.910 -0.276 108 2HB CYS 15 2HB CYS 15 -1.272 -8.636 0.916 109 H ARG 16 H ARG 16 -3.560 -10.838 -0.764 110 HA ARG 16 HA ARG 16 -2.925 -12.250 -3.342 111 1HB ARG 16 1HB ARG 16 -5.547 -12.429 -1.797 112 2HB ARG 16 2HB ARG 16 -5.082 -13.302 -3.234 113 1HG ARG 16 1HG ARG 16 -5.004 -14.875 -1.534 114 2HG ARG 16 2HG ARG 16 -3.320 -14.516 -1.891 115 1HD ARG 16 1HD ARG 16 -3.879 -14.814 0.554 116 2HD ARG 16 2HD ARG 16 -3.055 -13.323 0.179 117 HE ARG 16 HE ARG 16 -5.007 -12.054 0.630 118 1HH1 ARG 16 1HH1 ARG 16 -6.732 -11.669 1.848 119 2HH1 ARG 16 2HH1 ARG 16 -7.800 -12.977 2.329 120 1HH2 ARG 16 1HH2 ARG 16 -5.844 -15.449 0.957 121 2HH2 ARG 16 2HH2 ARG 16 -7.300 -15.072 1.842 122 H ARG 17 H ARG 17 -4.611 -9.680 -1.692 123 HA ARG 17 HA ARG 17 -5.404 -8.325 -4.219 124 1HB ARG 17 1HB ARG 17 -7.728 -8.005 -3.373 125 2HB ARG 17 2HB ARG 17 -7.350 -9.688 -3.745 126 1HG ARG 17 1HG ARG 17 -7.034 -10.165 -1.322 127 2HG ARG 17 2HG ARG 17 -7.351 -8.472 -0.938 128 1HD ARG 17 1HD ARG 17 -9.351 -9.778 -0.513 129 2HD ARG 17 2HD ARG 17 -9.635 -8.681 -1.860 130 HE ARG 17 HE ARG 17 -9.946 -10.485 -3.277 131 1HH1 ARG 17 1HH1 ARG 17 -10.181 -12.579 -3.896 132 2HH1 ARG 17 2HH1 ARG 17 -9.624 -13.863 -2.862 133 1HH2 ARG 17 1HH2 ARG 17 -8.454 -11.802 -0.389 134 2HH2 ARG 17 2HH2 ARG 17 -8.685 -13.445 -0.932 135 H ASP 18 H ASP 18 -6.173 -6.085 -3.807 136 HA ASP 18 HA ASP 18 -4.280 -4.739 -2.096 137 1HB ASP 18 1HB ASP 18 -6.774 -3.557 -3.370 138 2HB ASP 18 2HB ASP 18 -5.342 -2.686 -2.797 139 H SER 19 H SER 19 -7.479 -5.893 -1.516 140 HA SER 19 HA SER 19 -8.245 -4.303 0.761 141 1HB SER 19 1HB SER 19 -9.044 -7.178 0.183 142 2HB SER 19 2HB SER 19 -9.936 -5.984 1.135 143 HG SER 19 HG SER 19 -10.228 -4.768 -0.799 144 H ASP 20 H ASP 20 -5.923 -6.815 0.422 145 HA ASP 20 HA ASP 20 -5.846 -7.739 3.213 146 1HB ASP 20 1HB ASP 20 -3.924 -7.931 0.881 147 2HB ASP 20 2HB ASP 20 -3.616 -8.724 2.386 148 H CYS 21 H CYS 21 -4.838 -4.831 1.715 149 HA CYS 21 HA CYS 21 -2.548 -4.483 3.583 150 1HB CYS 21 1HB CYS 21 -3.006 -3.227 0.871 151 2HB CYS 21 2HB CYS 21 -1.549 -3.129 1.863 152 HA PRO 22 HA PRO 22 -4.319 -0.806 5.428 153 1HB PRO 22 1HB PRO 22 -1.539 0.332 5.118 154 2HB PRO 22 2HB PRO 22 -2.612 0.367 6.548 155 1HG PRO 22 1HG PRO 22 -0.616 -1.449 6.436 156 2HG PRO 22 2HG PRO 22 -2.243 -1.952 6.986 157 1HD PRO 22 1HD PRO 22 -0.982 -2.334 4.264 158 2HD PRO 22 2HD PRO 22 -1.918 -3.478 5.268 159 H GLY 23 H GLY 23 -4.417 1.577 5.246 160 1HA GLY 23 1HA GLY 23 -4.729 3.600 4.124 161 2HA GLY 23 2HA GLY 23 -5.912 2.546 3.377 162 H ALA 24 H ALA 24 -2.525 3.648 2.966 163 HA ALA 24 HA ALA 24 -3.077 4.328 0.137 164 1HB ALA 24 1HB ALA 24 -2.038 5.949 1.691 165 2HB ALA 24 2HB ALA 24 -0.991 5.587 0.306 166 3HB ALA 24 3HB ALA 24 -0.641 4.856 1.880 167 H CYS 25 H CYS 25 -2.102 1.502 1.539 168 HA CYS 25 HA CYS 25 0.120 0.808 -0.223 169 1HB CYS 25 1HB CYS 25 -1.651 -1.005 1.433 170 2HB CYS 25 2HB CYS 25 -0.084 -1.387 0.734 171 H ILE 26 H ILE 26 -0.017 -1.118 -1.506 172 HA ILE 26 HA ILE 26 -2.601 -1.991 -2.697 173 HB ILE 26 HB ILE 26 -1.429 -2.198 -4.904 174 1HG1 ILE 26 1HG1 ILE 26 0.652 -0.243 -3.859 175 2HG1 ILE 26 2HG1 ILE 26 0.932 -1.969 -3.863 176 1HG2 ILE 26 1HG2 ILE 26 -2.987 -0.344 -4.437 177 2HG2 ILE 26 2HG2 ILE 26 -1.634 0.645 -3.849 178 3HG2 ILE 26 3HG2 ILE 26 -1.704 0.155 -5.551 179 1HD1 ILE 26 1HD1 ILE 26 0.320 -0.335 -6.355 180 2HD1 ILE 26 2HD1 ILE 26 1.910 -0.903 -5.841 181 3HD1 ILE 26 3HD1 ILE 26 0.669 -2.092 -6.289 182 H CYS 27 H CYS 27 -2.329 -4.138 -3.713 183 HA CYS 27 HA CYS 27 -0.275 -5.815 -2.333 184 1HB CYS 27 1HB CYS 27 -2.601 -6.534 -2.127 185 2HB CYS 27 2HB CYS 27 -2.759 -6.621 -3.893 186 H ARG 28 H ARG 28 1.557 -5.820 -3.420 187 HA ARG 28 HA ARG 28 1.703 -4.999 -6.223 188 1HB ARG 28 1HB ARG 28 3.834 -5.630 -4.128 189 2HB ARG 28 2HB ARG 28 4.158 -4.933 -5.725 190 1HG ARG 28 1HG ARG 28 2.672 -3.035 -5.208 191 2HG ARG 28 2HG ARG 28 2.374 -3.677 -3.583 192 1HD ARG 28 1HD ARG 28 5.025 -2.717 -4.658 193 2HD ARG 28 2HD ARG 28 3.928 -1.844 -3.564 194 HE ARG 28 HE ARG 28 4.274 -4.084 -2.123 195 1HH1 ARG 28 1HH1 ARG 28 5.724 -4.469 -0.569 196 2HH1 ARG 28 2HH1 ARG 28 7.405 -4.055 -0.813 197 1HH2 ARG 28 1HH2 ARG 28 6.854 -2.364 -3.751 198 2HH2 ARG 28 2HH2 ARG 28 8.027 -2.849 -2.555 199 H GLY 29 H GLY 29 3.440 -6.083 -7.546 200 1HA GLY 29 1HA GLY 29 3.733 -7.793 -9.108 201 2HA GLY 29 2HA GLY 29 2.346 -8.614 -8.394 202 H ASN 30 H ASN 30 4.888 -7.891 -6.243 203 HA ASN 30 HA ASN 30 6.317 -10.452 -6.401 204 1HB ASN 30 1HB ASN 30 7.574 -9.646 -4.517 205 2HB ASN 30 2HB ASN 30 7.432 -8.351 -5.703 206 2HD2 ASN 30 2HD2 ASN 30 8.213 -7.582 -3.239 207 1HD2 ASN 30 1HD2 ASN 30 6.867 -6.810 -2.409 208 H GLY 31 H GLY 31 3.295 -9.582 -5.064 209 1HA GLY 31 1HA GLY 31 3.105 -12.145 -3.569 210 2HA GLY 31 2HA GLY 31 1.780 -11.099 -4.061 211 H TYR 32 H TYR 32 3.531 -8.772 -2.810 212 HA TYR 32 HA TYR 32 2.567 -9.138 0.002 213 1HB TYR 32 1HB TYR 32 5.165 -7.960 -0.956 214 2HB TYR 32 2HB TYR 32 4.618 -7.893 0.703 215 HD1 TYR 32 HD1 TYR 32 4.999 -9.700 2.203 216 HD2 TYR 32 HD2 TYR 32 5.898 -10.146 -1.977 217 HE1 TYR 32 HE1 TYR 32 6.374 -11.720 2.718 218 HE2 TYR 32 HE2 TYR 32 7.213 -12.197 -1.483 219 HH TYR 32 HH TYR 32 7.996 -13.611 0.144 220 H CYS 33 H CYS 33 2.226 -7.182 1.168 221 HA CYS 33 HA CYS 33 0.986 -5.049 -0.304 222 1HB CYS 33 1HB CYS 33 1.843 -5.307 2.597 223 2HB CYS 33 2HB CYS 33 0.863 -3.985 1.973 224 H GLY 34 H GLY 34 1.573 -2.824 -0.342 225 1HA GLY 34 1HA GLY 34 4.383 -2.070 -0.573 226 2HA GLY 34 2HA GLY 34 3.697 -1.562 0.966 No H/Q in entry = 226 Start of MODEL 11 1 H SER 1 H SER 1 4.463 0.568 -0.911 2 HA SER 1 HA SER 1 1.966 1.937 -0.881 3 1HB SER 1 1HB SER 1 4.244 2.824 -0.150 4 2HB SER 1 2HB SER 1 4.553 3.163 -1.863 5 HG SER 1 HG SER 1 3.594 4.981 -1.088 6 H GLY 2 H GLY 2 0.516 2.322 -2.387 7 1HA GLY 2 1HA GLY 2 -0.357 2.010 -4.652 8 2HA GLY 2 2HA GLY 2 1.245 2.302 -5.302 9 H SER 3 H SER 3 1.025 4.503 -2.891 10 HA SER 3 HA SER 3 0.569 6.696 -2.623 11 1HB SER 3 1HB SER 3 0.856 6.867 -5.633 12 2HB SER 3 2HB SER 3 1.014 8.199 -4.481 13 HG SER 3 HG SER 3 2.802 7.108 -3.548 14 H ASP 4 H ASP 4 -1.799 4.889 -3.342 15 HA ASP 4 HA ASP 4 -3.681 6.302 -4.903 16 1HB ASP 4 1HB ASP 4 -3.670 3.867 -4.400 17 2HB ASP 4 2HB ASP 4 -4.160 4.214 -2.742 18 H GLY 5 H GLY 5 -3.053 6.592 -1.473 19 1HA GLY 5 1HA GLY 5 -5.282 7.537 -0.259 20 2HA GLY 5 2HA GLY 5 -4.847 8.942 -1.230 21 H GLY 6 H GLY 6 -1.876 8.144 -0.755 22 1HA GLY 6 1HA GLY 6 -1.470 8.368 2.133 23 2HA GLY 6 2HA GLY 6 -0.968 9.798 1.216 24 H VAL 7 H VAL 7 0.756 8.188 2.732 25 HA VAL 7 HA VAL 7 2.485 6.761 0.726 26 HB VAL 7 HB VAL 7 3.358 8.199 3.271 27 1HG1 VAL 7 1HG1 VAL 7 4.973 6.738 1.124 28 2HG1 VAL 7 2HG1 VAL 7 5.656 7.723 2.435 29 3HG1 VAL 7 3HG1 VAL 7 4.791 6.238 2.819 30 1HG2 VAL 7 1HG2 VAL 7 3.807 8.886 0.333 31 2HG2 VAL 7 2HG2 VAL 7 2.817 9.806 1.487 32 3HG2 VAL 7 3HG2 VAL 7 4.563 9.709 1.714 33 H CYS 8 H CYS 8 2.377 4.585 1.013 34 HA CYS 8 HA CYS 8 1.662 3.503 3.656 35 1HB CYS 8 1HB CYS 8 1.024 2.417 1.384 36 2HB CYS 8 2HB CYS 8 2.698 1.870 1.354 37 HA PRO 9 HA PRO 9 6.086 3.352 4.786 38 1HB PRO 9 1HB PRO 9 5.872 1.969 7.172 39 2HB PRO 9 2HB PRO 9 5.490 3.698 6.947 40 1HG PRO 9 1HG PRO 9 3.575 1.349 6.895 41 2HG PRO 9 2HG PRO 9 3.425 2.884 7.813 42 1HD PRO 9 1HD PRO 9 2.159 2.544 5.460 43 2HD PRO 9 2HD PRO 9 2.933 4.121 5.818 44 H LYS 10 H LYS 10 4.510 0.932 3.352 45 HA LYS 10 HA LYS 10 5.009 -1.113 2.431 46 1HB LYS 10 1HB LYS 10 7.839 -0.031 2.612 47 2HB LYS 10 2HB LYS 10 7.293 -1.357 1.577 48 1HG LYS 10 1HG LYS 10 5.719 0.199 0.439 49 2HG LYS 10 2HG LYS 10 6.367 1.542 1.389 50 1HD LYS 10 1HD LYS 10 8.005 -0.198 -0.504 51 2HD LYS 10 2HD LYS 10 7.316 1.381 -0.910 52 1HE LYS 10 1HE LYS 10 8.622 2.429 0.934 53 2HE LYS 10 2HE LYS 10 9.349 0.860 1.306 54 1HZ LYS 10 1HZ LYS 10 10.312 0.847 -0.934 55 2HZ LYS 10 2HZ LYS 10 9.645 2.301 -1.277 56 3HZ LYS 10 3HZ LYS 10 10.794 2.179 -0.124 57 H ILE 11 H ILE 11 4.227 -2.061 4.439 58 HA ILE 11 HA ILE 11 6.140 -3.462 6.155 59 HB ILE 11 HB ILE 11 4.133 -4.492 7.144 60 1HG1 ILE 11 1HG1 ILE 11 2.475 -2.786 5.221 61 2HG1 ILE 11 2HG1 ILE 11 2.675 -4.534 5.099 62 1HG2 ILE 11 1HG2 ILE 11 5.072 -2.298 7.904 63 2HG2 ILE 11 2HG2 ILE 11 3.874 -1.462 6.893 64 3HG2 ILE 11 3HG2 ILE 11 3.353 -2.478 8.254 65 1HD1 ILE 11 1HD1 ILE 11 1.663 -4.771 7.395 66 2HD1 ILE 11 2HD1 ILE 11 1.290 -3.032 7.345 67 3HD1 ILE 11 3HD1 ILE 11 0.574 -4.128 6.151 68 H LEU 12 H LEU 12 6.398 -5.645 6.264 69 HA LEU 12 HA LEU 12 6.427 -7.114 3.718 70 1HB LEU 12 1HB LEU 12 7.369 -7.970 6.477 71 2HB LEU 12 2HB LEU 12 7.680 -8.827 4.965 72 HG LEU 12 HG LEU 12 8.717 -6.038 5.644 73 1HD1 LEU 12 1HD1 LEU 12 9.776 -7.843 6.951 74 2HD1 LEU 12 2HD1 LEU 12 10.143 -8.722 5.451 75 3HD1 LEU 12 3HD1 LEU 12 10.902 -7.147 5.773 76 1HD2 LEU 12 1HD2 LEU 12 9.241 -7.837 3.234 77 2HD2 LEU 12 2HD2 LEU 12 8.428 -6.254 3.216 78 3HD2 LEU 12 3HD2 LEU 12 10.142 -6.353 3.623 79 H LYS 13 H LYS 13 3.800 -6.606 4.855 80 HA LYS 13 HA LYS 13 2.608 -9.150 5.686 81 1HB LYS 13 1HB LYS 13 1.712 -6.871 6.252 82 2HB LYS 13 2HB LYS 13 1.260 -6.656 4.553 83 1HG LYS 13 1HG LYS 13 -0.205 -8.686 4.730 84 2HG LYS 13 2HG LYS 13 0.288 -8.864 6.425 85 1HD LYS 13 1HD LYS 13 -0.644 -6.534 6.848 86 2HD LYS 13 2HD LYS 13 -1.282 -6.563 5.187 87 1HE LYS 13 1HE LYS 13 -2.481 -8.711 5.772 88 2HE LYS 13 2HE LYS 13 -1.918 -8.527 7.440 89 1HZ LYS 13 1HZ LYS 13 -3.134 -6.380 7.493 90 2HZ LYS 13 2HZ LYS 13 -3.682 -6.656 5.963 91 3HZ LYS 13 3HZ LYS 13 -4.145 -7.629 7.194 92 H LYS 14 H LYS 14 2.456 -10.838 4.337 93 HA LYS 14 HA LYS 14 2.555 -10.726 1.444 94 1HB LYS 14 1HB LYS 14 1.671 -12.914 3.385 95 2HB LYS 14 2HB LYS 14 1.746 -13.109 1.626 96 1HG LYS 14 1HG LYS 14 4.152 -12.657 1.625 97 2HG LYS 14 2HG LYS 14 4.127 -12.354 3.371 98 1HD LYS 14 1HD LYS 14 5.002 -14.548 3.015 99 2HD LYS 14 2HD LYS 14 3.401 -14.711 3.751 100 1HE LYS 14 1HE LYS 14 2.428 -15.185 1.507 101 2HE LYS 14 2HE LYS 14 4.024 -14.983 0.771 102 1HZ LYS 14 1HZ LYS 14 3.320 -17.071 2.767 103 2HZ LYS 14 2HZ LYS 14 3.517 -17.326 1.168 104 3HZ LYS 14 3HZ LYS 14 4.793 -16.888 2.084 105 H CYS 15 H CYS 15 0.933 -10.894 0.022 106 HA CYS 15 HA CYS 15 -1.938 -10.959 0.899 107 1HB CYS 15 1HB CYS 15 -2.462 -8.860 -0.228 108 2HB CYS 15 2HB CYS 15 -1.240 -8.615 0.991 109 H ARG 16 H ARG 16 -3.471 -10.852 -0.841 110 HA ARG 16 HA ARG 16 -2.624 -11.689 -3.591 111 1HB ARG 16 1HB ARG 16 -4.904 -12.931 -1.990 112 2HB ARG 16 2HB ARG 16 -4.582 -13.213 -3.705 113 1HG ARG 16 1HG ARG 16 -2.311 -14.112 -3.094 114 2HG ARG 16 2HG ARG 16 -2.764 -14.005 -1.385 115 1HD ARG 16 1HD ARG 16 -4.222 -15.620 -3.519 116 2HD ARG 16 2HD ARG 16 -3.073 -16.279 -2.342 117 HE ARG 16 HE ARG 16 -4.962 -15.010 -0.760 118 1HH1 ARG 16 1HH1 ARG 16 -6.751 -15.926 0.150 119 2HH1 ARG 16 2HH1 ARG 16 -7.450 -17.353 -0.564 120 1HH2 ARG 16 1HH2 ARG 16 -5.194 -17.575 -3.129 121 2HH2 ARG 16 2HH2 ARG 16 -6.607 -18.265 -2.372 122 H ARG 17 H ARG 17 -4.545 -9.709 -1.582 123 HA ARG 17 HA ARG 17 -6.048 -8.493 -3.890 124 1HB ARG 17 1HB ARG 17 -6.985 -8.671 -0.998 125 2HB ARG 17 2HB ARG 17 -7.922 -8.148 -2.392 126 1HG ARG 17 1HG ARG 17 -7.964 -10.451 -3.259 127 2HG ARG 17 2HG ARG 17 -6.955 -11.002 -1.906 128 1HD ARG 17 1HD ARG 17 -9.697 -9.739 -1.578 129 2HD ARG 17 2HD ARG 17 -9.373 -11.483 -1.588 130 HE ARG 17 HE ARG 17 -7.654 -10.327 0.371 131 1HH1 ARG 17 1HH1 ARG 17 -7.942 -10.336 2.381 132 2HH1 ARG 17 2HH1 ARG 17 -9.517 -10.618 3.143 133 1HH2 ARG 17 1HH2 ARG 17 -11.102 -10.888 0.062 134 2HH2 ARG 17 2HH2 ARG 17 -11.303 -10.920 1.798 135 H ASP 18 H ASP 18 -6.319 -6.192 -3.743 136 HA ASP 18 HA ASP 18 -4.371 -4.707 -2.165 137 1HB ASP 18 1HB ASP 18 -6.908 -3.639 -3.450 138 2HB ASP 18 2HB ASP 18 -5.496 -2.708 -2.916 139 H SER 19 H SER 19 -7.572 -5.891 -1.500 140 HA SER 19 HA SER 19 -8.277 -4.296 0.780 141 1HB SER 19 1HB SER 19 -9.102 -7.143 0.085 142 2HB SER 19 2HB SER 19 -9.929 -6.044 1.205 143 HG SER 19 HG SER 19 -10.926 -6.041 -0.855 144 H ASP 20 H ASP 20 -6.050 -6.959 0.394 145 HA ASP 20 HA ASP 20 -5.907 -7.799 3.187 146 1HB ASP 20 1HB ASP 20 -3.923 -7.916 0.907 147 2HB ASP 20 2HB ASP 20 -3.664 -8.742 2.404 148 H CYS 21 H CYS 21 -4.692 -5.015 1.475 149 HA CYS 21 HA CYS 21 -2.482 -4.590 3.396 150 1HB CYS 21 1HB CYS 21 -3.125 -3.347 0.700 151 2HB CYS 21 2HB CYS 21 -1.677 -3.033 1.650 152 HA PRO 22 HA PRO 22 -4.396 -1.075 5.322 153 1HB PRO 22 1HB PRO 22 -2.266 0.410 6.167 154 2HB PRO 22 2HB PRO 22 -2.641 -1.206 6.836 155 1HG PRO 22 1HG PRO 22 -0.667 -0.524 4.633 156 2HG PRO 22 2HG PRO 22 -0.375 -1.506 6.104 157 1HD PRO 22 1HD PRO 22 -0.972 -2.652 3.715 158 2HD PRO 22 2HD PRO 22 -1.619 -3.323 5.241 159 H GLY 23 H GLY 23 -4.762 1.155 5.178 160 1HA GLY 23 1HA GLY 23 -4.363 3.384 4.218 161 2HA GLY 23 2HA GLY 23 -5.755 2.599 3.506 162 H ALA 24 H ALA 24 -2.373 3.443 2.984 163 HA ALA 24 HA ALA 24 -2.961 4.093 0.173 164 1HB ALA 24 1HB ALA 24 -0.552 4.627 1.953 165 2HB ALA 24 2HB ALA 24 -0.806 5.290 0.324 166 3HB ALA 24 3HB ALA 24 -1.907 5.736 1.645 167 H CYS 25 H CYS 25 -1.709 1.302 1.631 168 HA CYS 25 HA CYS 25 0.197 0.633 -0.497 169 1HB CYS 25 1HB CYS 25 -0.957 -0.916 1.820 170 2HB CYS 25 2HB CYS 25 -0.187 -1.722 0.478 171 H ILE 26 H ILE 26 -0.058 -1.140 -1.797 172 HA ILE 26 HA ILE 26 -2.737 -2.144 -2.632 173 HB ILE 26 HB ILE 26 -1.793 -2.283 -4.959 174 1HG1 ILE 26 1HG1 ILE 26 0.284 -0.232 -4.142 175 2HG1 ILE 26 2HG1 ILE 26 0.660 -1.947 -4.133 176 1HG2 ILE 26 1HG2 ILE 26 -3.401 -0.531 -4.297 177 2HG2 ILE 26 2HG2 ILE 26 -2.065 0.549 -3.859 178 3HG2 ILE 26 3HG2 ILE 26 -2.296 0.050 -5.548 179 1HD1 ILE 26 1HD1 ILE 26 -0.340 -0.504 -6.606 180 2HD1 ILE 26 2HD1 ILE 26 1.358 -0.780 -6.206 181 3HD1 ILE 26 3HD1 ILE 26 0.298 -2.180 -6.479 182 H CYS 27 H CYS 27 -2.420 -4.293 -3.761 183 HA CYS 27 HA CYS 27 -0.250 -5.861 -2.457 184 1HB CYS 27 1HB CYS 27 -2.580 -6.664 -2.423 185 2HB CYS 27 2HB CYS 27 -2.531 -6.863 -4.184 186 H ARG 28 H ARG 28 1.606 -5.640 -3.433 187 HA ARG 28 HA ARG 28 1.987 -4.774 -6.175 188 1HB ARG 28 1HB ARG 28 3.926 -5.857 -4.075 189 2HB ARG 28 2HB ARG 28 4.426 -5.076 -5.563 190 1HG ARG 28 1HG ARG 28 2.764 -3.702 -3.399 191 2HG ARG 28 2HG ARG 28 4.518 -3.658 -3.465 192 1HD ARG 28 1HD ARG 28 2.736 -2.690 -5.725 193 2HD ARG 28 2HD ARG 28 3.345 -1.644 -4.435 194 HE ARG 28 HE ARG 28 5.677 -2.597 -5.249 195 1HH1 ARG 28 1HH1 ARG 28 7.024 -2.037 -6.884 196 2HH1 ARG 28 2HH1 ARG 28 6.375 -1.361 -8.351 197 1HH2 ARG 28 1HH2 ARG 28 3.101 -1.500 -7.366 198 2HH2 ARG 28 2HH2 ARG 28 4.227 -1.071 -8.626 199 H GLY 29 H GLY 29 3.653 -6.001 -7.487 200 1HA GLY 29 1HA GLY 29 3.825 -7.678 -9.109 201 2HA GLY 29 2HA GLY 29 2.334 -8.374 -8.478 202 H ASN 30 H ASN 30 4.850 -8.006 -6.203 203 HA ASN 30 HA ASN 30 5.985 -10.718 -6.495 204 1HB ASN 30 1HB ASN 30 7.530 -10.089 -4.818 205 2HB ASN 30 2HB ASN 30 7.370 -8.705 -5.896 206 2HD2 ASN 30 2HD2 ASN 30 8.400 -8.612 -3.188 207 1HD2 ASN 30 1HD2 ASN 30 7.265 -7.610 -2.290 208 H GLY 31 H GLY 31 3.135 -9.618 -5.084 209 1HA GLY 31 1HA GLY 31 2.821 -12.105 -3.515 210 2HA GLY 31 2HA GLY 31 1.578 -10.923 -3.899 211 H TYR 32 H TYR 32 3.411 -8.720 -2.813 212 HA TYR 32 HA TYR 32 2.644 -9.004 0.063 213 1HB TYR 32 1HB TYR 32 5.236 -8.026 -1.125 214 2HB TYR 32 2HB TYR 32 4.755 -7.617 0.502 215 HD1 TYR 32 HD1 TYR 32 5.833 -10.426 -1.702 216 HD2 TYR 32 HD2 TYR 32 5.022 -9.106 2.309 217 HE1 TYR 32 HE1 TYR 32 7.123 -12.361 -0.811 218 HE2 TYR 32 HE2 TYR 32 6.416 -10.970 3.217 219 HH TYR 32 HH TYR 32 7.954 -13.392 1.056 220 H CYS 33 H CYS 33 2.355 -6.976 1.157 221 HA CYS 33 HA CYS 33 1.074 -4.930 -0.416 222 1HB CYS 33 1HB CYS 33 1.971 -4.996 2.484 223 2HB CYS 33 2HB CYS 33 0.950 -3.741 1.778 224 H GLY 34 H GLY 34 1.725 -2.856 -0.949 225 1HA GLY 34 1HA GLY 34 4.333 -2.144 -1.628 226 2HA GLY 34 2HA GLY 34 4.144 -1.613 0.052 No H/Q in entry = 226 Start of MODEL 12 1 H SER 1 H SER 1 4.296 0.597 -0.654 2 HA SER 1 HA SER 1 1.969 2.104 -0.606 3 1HB SER 1 1HB SER 1 3.354 4.040 -0.975 4 2HB SER 1 2HB SER 1 4.192 2.895 0.078 5 HG SER 1 HG SER 1 5.534 2.325 -1.605 6 H GLY 2 H GLY 2 3.016 0.559 -3.421 7 1HA GLY 2 1HA GLY 2 1.107 1.906 -5.174 8 2HA GLY 2 2HA GLY 2 2.155 0.564 -5.577 9 H SER 3 H SER 3 4.505 2.239 -4.609 10 HA SER 3 HA SER 3 6.207 3.462 -5.419 11 1HB SER 3 1HB SER 3 4.932 3.218 -8.157 12 2HB SER 3 2HB SER 3 6.589 3.719 -7.797 13 HG SER 3 HG SER 3 6.596 1.555 -8.317 14 H ASP 4 H ASP 4 3.049 4.731 -5.881 15 HA ASP 4 HA ASP 4 3.697 7.430 -6.622 16 1HB ASP 4 1HB ASP 4 1.473 6.310 -6.831 17 2HB ASP 4 2HB ASP 4 1.322 6.320 -5.074 18 H GLY 5 H GLY 5 4.084 5.771 -3.609 19 1HA GLY 5 1HA GLY 5 5.219 8.107 -2.290 20 2HA GLY 5 2HA GLY 5 5.055 6.487 -1.619 21 H GLY 6 H GLY 6 2.053 6.634 -2.243 22 1HA GLY 6 1HA GLY 6 0.086 7.135 -1.136 23 2HA GLY 6 2HA GLY 6 0.803 8.679 -0.669 24 H VAL 7 H VAL 7 -0.643 8.119 1.215 25 HA VAL 7 HA VAL 7 1.014 7.423 3.465 26 HB VAL 7 HB VAL 7 -1.979 7.956 3.507 27 1HG1 VAL 7 1HG1 VAL 7 0.183 8.198 5.662 28 2HG1 VAL 7 2HG1 VAL 7 -1.516 8.684 5.838 29 3HG1 VAL 7 3HG1 VAL 7 -1.112 6.982 5.632 30 1HG2 VAL 7 1HG2 VAL 7 0.376 9.879 3.758 31 2HG2 VAL 7 2HG2 VAL 7 -0.838 9.862 2.460 32 3HG2 VAL 7 3HG2 VAL 7 -1.321 10.281 4.100 33 H CYS 8 H CYS 8 1.624 5.292 3.034 34 HA CYS 8 HA CYS 8 -0.322 3.319 4.145 35 1HB CYS 8 1HB CYS 8 0.202 2.616 1.875 36 2HB CYS 8 2HB CYS 8 1.927 2.743 2.186 37 HA PRO 9 HA PRO 9 2.927 3.260 7.388 38 1HB PRO 9 1HB PRO 9 1.627 1.646 9.171 39 2HB PRO 9 2HB PRO 9 1.274 3.386 8.977 40 1HG PRO 9 1HG PRO 9 -0.221 1.041 7.784 41 2HG PRO 9 2HG PRO 9 -0.893 2.487 8.600 42 1HD PRO 9 1HD PRO 9 -0.733 2.243 5.879 43 2HD PRO 9 2HD PRO 9 -0.553 3.831 6.683 44 H LYS 10 H LYS 10 4.358 2.229 6.085 45 HA LYS 10 HA LYS 10 4.193 -0.108 4.670 46 1HB LYS 10 1HB LYS 10 6.690 1.125 5.893 47 2HB LYS 10 2HB LYS 10 6.696 -0.118 4.635 48 1HG LYS 10 1HG LYS 10 5.383 1.384 3.140 49 2HG LYS 10 2HG LYS 10 5.474 2.669 4.353 50 1HD LYS 10 1HD LYS 10 7.887 1.365 3.019 51 2HD LYS 10 2HD LYS 10 7.144 2.889 2.514 52 1HE LYS 10 1HE LYS 10 7.599 3.859 4.762 53 2HE LYS 10 2HE LYS 10 8.390 2.355 5.249 54 1HZ LYS 10 1HZ LYS 10 9.295 4.110 3.029 55 2HZ LYS 10 2HZ LYS 10 10.008 3.992 4.491 56 3HZ LYS 10 3HZ LYS 10 10.024 2.718 3.475 57 H ILE 11 H ILE 11 4.120 -2.130 4.971 58 HA ILE 11 HA ILE 11 5.388 -3.543 7.244 59 HB ILE 11 HB ILE 11 3.250 -4.989 7.366 60 1HG1 ILE 11 1HG1 ILE 11 1.115 -3.936 7.029 61 2HG1 ILE 11 2HG1 ILE 11 1.841 -2.461 6.411 62 1HG2 ILE 11 1HG2 ILE 11 4.088 -3.534 9.168 63 2HG2 ILE 11 2HG2 ILE 11 3.163 -2.172 8.499 64 3HG2 ILE 11 3HG2 ILE 11 2.321 -3.601 9.124 65 1HD1 ILE 11 1HD1 ILE 11 2.120 -5.138 5.004 66 2HD1 ILE 11 2HD1 ILE 11 0.800 -4.001 4.692 67 3HD1 ILE 11 3HD1 ILE 11 2.468 -3.521 4.351 68 H LEU 12 H LEU 12 5.289 -5.956 6.907 69 HA LEU 12 HA LEU 12 5.776 -6.667 4.037 70 1HB LEU 12 1HB LEU 12 7.128 -7.742 6.544 71 2HB LEU 12 2HB LEU 12 7.273 -8.426 4.929 72 HG LEU 12 HG LEU 12 8.096 -6.078 4.174 73 1HD1 LEU 12 1HD1 LEU 12 8.681 -5.930 7.171 74 2HD1 LEU 12 2HD1 LEU 12 9.422 -4.898 5.929 75 3HD1 LEU 12 3HD1 LEU 12 7.696 -4.782 6.239 76 1HD2 LEU 12 1HD2 LEU 12 9.474 -8.114 4.234 77 2HD2 LEU 12 2HD2 LEU 12 10.406 -6.707 4.757 78 3HD2 LEU 12 3HD2 LEU 12 9.796 -7.863 5.965 79 H LYS 13 H LYS 13 3.192 -6.695 5.156 80 HA LYS 13 HA LYS 13 2.272 -9.411 5.670 81 1HB LYS 13 1HB LYS 13 0.792 -7.005 4.516 82 2HB LYS 13 2HB LYS 13 0.057 -8.535 4.980 83 1HG LYS 13 1HG LYS 13 0.777 -8.165 7.348 84 2HG LYS 13 2HG LYS 13 1.489 -6.620 6.869 85 1HD LYS 13 1HD LYS 13 -0.639 -6.071 7.766 86 2HD LYS 13 2HD LYS 13 -0.814 -5.926 6.010 87 1HE LYS 13 1HE LYS 13 -1.726 -8.329 6.033 88 2HE LYS 13 2HE LYS 13 -1.716 -8.233 7.798 89 1HZ LYS 13 1HZ LYS 13 -3.218 -6.259 7.546 90 2HZ LYS 13 2HZ LYS 13 -3.286 -6.553 5.923 91 3HZ LYS 13 3HZ LYS 13 -3.883 -7.641 6.980 92 H LYS 14 H LYS 14 2.185 -11.023 4.282 93 HA LYS 14 HA LYS 14 2.522 -10.794 1.381 94 1HB LYS 14 1HB LYS 14 1.582 -13.085 3.177 95 2HB LYS 14 2HB LYS 14 1.719 -13.198 1.417 96 1HG LYS 14 1HG LYS 14 4.124 -12.701 1.532 97 2HG LYS 14 2HG LYS 14 4.031 -12.590 3.305 98 1HD LYS 14 1HD LYS 14 3.284 -14.955 3.412 99 2HD LYS 14 2HD LYS 14 3.364 -15.062 1.640 100 1HE LYS 14 1HE LYS 14 5.790 -14.529 1.720 101 2HE LYS 14 2HE LYS 14 5.711 -14.428 3.484 102 1HZ LYS 14 1HZ LYS 14 5.065 -16.781 3.524 103 2HZ LYS 14 2HZ LYS 14 5.142 -16.876 1.892 104 3HZ LYS 14 3HZ LYS 14 6.497 -16.606 2.761 105 H CYS 15 H CYS 15 0.898 -10.935 -0.107 106 HA CYS 15 HA CYS 15 -1.978 -10.909 0.788 107 1HB CYS 15 1HB CYS 15 -2.426 -8.844 -0.418 108 2HB CYS 15 2HB CYS 15 -1.178 -8.599 0.772 109 H ARG 16 H ARG 16 -3.531 -10.858 -0.910 110 HA ARG 16 HA ARG 16 -2.734 -11.891 -3.618 111 1HB ARG 16 1HB ARG 16 -5.004 -13.001 -1.908 112 2HB ARG 16 2HB ARG 16 -4.707 -13.399 -3.603 113 1HG ARG 16 1HG ARG 16 -2.449 -14.314 -2.963 114 2HG ARG 16 2HG ARG 16 -2.840 -13.995 -1.265 115 1HD ARG 16 1HD ARG 16 -3.279 -16.298 -1.663 116 2HD ARG 16 2HD ARG 16 -4.840 -15.481 -1.473 117 HE ARG 16 HE ARG 16 -4.127 -15.592 -4.261 118 1HH1 ARG 16 1HH1 ARG 16 -5.074 -16.996 -5.671 119 2HH1 ARG 16 2HH1 ARG 16 -5.866 -18.427 -5.070 120 1HH2 ARG 16 1HH2 ARG 16 -5.230 -17.776 -1.763 121 2HH2 ARG 16 2HH2 ARG 16 -5.960 -18.866 -2.918 122 H ARG 17 H ARG 17 -4.520 -9.678 -1.774 123 HA ARG 17 HA ARG 17 -5.794 -8.468 -4.174 124 1HB ARG 17 1HB ARG 17 -7.957 -8.206 -2.926 125 2HB ARG 17 2HB ARG 17 -7.584 -9.895 -3.293 126 1HG ARG 17 1HG ARG 17 -6.798 -10.285 -1.024 127 2HG ARG 17 2HG ARG 17 -6.964 -8.568 -0.623 128 1HD ARG 17 1HD ARG 17 -9.426 -8.788 -0.920 129 2HD ARG 17 2HD ARG 17 -9.199 -10.533 -1.182 130 HE ARG 17 HE ARG 17 -7.777 -9.918 1.163 131 1HH1 ARG 17 1HH1 ARG 17 -8.415 -10.159 3.162 132 2HH1 ARG 17 2HH1 ARG 17 -10.112 -10.210 3.593 133 1HH2 ARG 17 1HH2 ARG 17 -11.182 -9.808 0.332 134 2HH2 ARG 17 2HH2 ARG 17 -11.664 -10.003 1.999 135 H ASP 18 H ASP 18 -6.484 -6.215 -3.726 136 HA ASP 18 HA ASP 18 -4.402 -4.839 -2.247 137 1HB ASP 18 1HB ASP 18 -6.973 -3.713 -3.417 138 2HB ASP 18 2HB ASP 18 -5.555 -2.785 -2.904 139 H SER 19 H SER 19 -7.540 -5.927 -1.340 140 HA SER 19 HA SER 19 -8.006 -4.174 0.947 141 1HB SER 19 1HB SER 19 -9.155 -6.912 0.291 142 2HB SER 19 2HB SER 19 -9.717 -5.852 1.590 143 HG SER 19 HG SER 19 -9.652 -5.108 -1.168 144 H ASP 20 H ASP 20 -5.850 -6.820 0.486 145 HA ASP 20 HA ASP 20 -5.623 -7.713 3.256 146 1HB ASP 20 1HB ASP 20 -3.837 -7.842 0.816 147 2HB ASP 20 2HB ASP 20 -3.398 -8.629 2.288 148 H CYS 21 H CYS 21 -4.674 -4.816 1.677 149 HA CYS 21 HA CYS 21 -2.342 -4.389 3.468 150 1HB CYS 21 1HB CYS 21 -3.033 -3.124 0.801 151 2HB CYS 21 2HB CYS 21 -1.521 -2.952 1.696 152 HA PRO 22 HA PRO 22 -4.424 -0.941 5.350 153 1HB PRO 22 1HB PRO 22 -2.407 0.273 6.695 154 2HB PRO 22 2HB PRO 22 -2.916 -1.401 7.070 155 1HG PRO 22 1HG PRO 22 -0.606 -0.513 5.313 156 2HG PRO 22 2HG PRO 22 -0.583 -1.712 6.643 157 1HD PRO 22 1HD PRO 22 -0.865 -2.424 4.004 158 2HD PRO 22 2HD PRO 22 -1.644 -3.337 5.332 159 H GLY 23 H GLY 23 -4.575 1.363 5.468 160 1HA GLY 23 1HA GLY 23 -3.105 3.418 4.455 161 2HA GLY 23 2HA GLY 23 -4.863 3.422 4.474 162 H ALA 24 H ALA 24 -2.252 3.870 2.565 163 HA ALA 24 HA ALA 24 -3.817 3.777 0.066 164 1HB ALA 24 1HB ALA 24 -2.658 5.847 0.859 165 2HB ALA 24 2HB ALA 24 -2.126 5.318 -0.747 166 3HB ALA 24 3HB ALA 24 -1.099 5.005 0.666 167 H CYS 25 H CYS 25 -1.821 1.495 1.492 168 HA CYS 25 HA CYS 25 -0.102 0.802 -0.708 169 1HB CYS 25 1HB CYS 25 -1.067 -0.740 1.711 170 2HB CYS 25 2HB CYS 25 -0.208 -1.516 0.410 171 H ILE 26 H ILE 26 -0.167 -1.106 -1.865 172 HA ILE 26 HA ILE 26 -2.801 -2.236 -2.726 173 HB ILE 26 HB ILE 26 -1.918 -2.400 -5.024 174 1HG1 ILE 26 1HG1 ILE 26 0.307 -0.469 -4.298 175 2HG1 ILE 26 2HG1 ILE 26 0.564 -2.209 -4.278 176 1HG2 ILE 26 1HG2 ILE 26 -3.391 -0.516 -4.354 177 2HG2 ILE 26 2HG2 ILE 26 -1.956 0.488 -4.055 178 3HG2 ILE 26 3HG2 ILE 26 -2.313 -0.097 -5.693 179 1HD1 ILE 26 1HD1 ILE 26 -0.091 -2.394 -6.642 180 2HD1 ILE 26 2HD1 ILE 26 -0.260 -0.611 -6.715 181 3HD1 ILE 26 3HD1 ILE 26 1.313 -1.358 -6.393 182 H CYS 27 H CYS 27 -2.450 -4.367 -3.840 183 HA CYS 27 HA CYS 27 -0.316 -5.942 -2.506 184 1HB CYS 27 1HB CYS 27 -2.639 -6.760 -2.549 185 2HB CYS 27 2HB CYS 27 -2.568 -6.883 -4.315 186 H ARG 28 H ARG 28 1.579 -5.757 -3.428 187 HA ARG 28 HA ARG 28 2.043 -4.796 -6.128 188 1HB ARG 28 1HB ARG 28 3.960 -5.932 -4.040 189 2HB ARG 28 2HB ARG 28 4.446 -4.997 -5.445 190 1HG ARG 28 1HG ARG 28 2.644 -3.865 -3.258 191 2HG ARG 28 2HG ARG 28 4.388 -3.815 -3.163 192 1HD ARG 28 1HD ARG 28 3.107 -2.762 -5.673 193 2HD ARG 28 2HD ARG 28 2.933 -1.820 -4.185 194 HE ARG 28 HE ARG 28 5.625 -2.329 -4.220 195 1HH1 ARG 28 1HH1 ARG 28 7.113 -0.777 -4.818 196 2HH1 ARG 28 2HH1 ARG 28 6.669 0.338 -6.101 197 1HH2 ARG 28 1HH2 ARG 28 3.638 -0.951 -6.777 198 2HH2 ARG 28 2HH2 ARG 28 4.864 0.269 -7.102 199 H GLY 29 H GLY 29 3.799 -5.964 -7.395 200 1HA GLY 29 1HA GLY 29 4.071 -7.594 -9.048 201 2HA GLY 29 2HA GLY 29 2.571 -8.337 -8.497 202 H ASN 30 H ASN 30 5.003 -7.965 -6.119 203 HA ASN 30 HA ASN 30 6.181 -10.657 -6.433 204 1HB ASN 30 1HB ASN 30 7.700 -10.035 -4.743 205 2HB ASN 30 2HB ASN 30 7.521 -8.619 -5.774 206 2HD2 ASN 30 2HD2 ASN 30 8.484 -8.700 -2.992 207 1HD2 ASN 30 1HD2 ASN 30 7.337 -7.711 -2.097 208 H GLY 31 H GLY 31 3.287 -9.634 -5.090 209 1HA GLY 31 1HA GLY 31 2.985 -12.135 -3.545 210 2HA GLY 31 2HA GLY 31 1.724 -10.983 -3.966 211 H TYR 32 H TYR 32 3.515 -8.760 -2.795 212 HA TYR 32 HA TYR 32 2.621 -9.060 0.044 213 1HB TYR 32 1HB TYR 32 5.250 -8.067 -1.043 214 2HB TYR 32 2HB TYR 32 4.703 -7.628 0.554 215 HD1 TYR 32 HD1 TYR 32 5.912 -10.466 -1.539 216 HD2 TYR 32 HD2 TYR 32 4.882 -9.086 2.404 217 HE1 TYR 32 HE1 TYR 32 7.229 -12.336 -0.535 218 HE2 TYR 32 HE2 TYR 32 6.282 -10.871 3.416 219 HH TYR 32 HH TYR 32 7.731 -12.613 2.998 220 H CYS 33 H CYS 33 2.314 -7.011 1.135 221 HA CYS 33 HA CYS 33 1.009 -4.996 -0.468 222 1HB CYS 33 1HB CYS 33 1.891 -5.094 2.430 223 2HB CYS 33 2HB CYS 33 0.898 -3.800 1.748 224 H GLY 34 H GLY 34 1.599 -2.825 -0.905 225 1HA GLY 34 1HA GLY 34 4.237 -2.055 -1.473 226 2HA GLY 34 2HA GLY 34 3.948 -1.569 0.204 No H/Q in entry = 226 Start of MODEL 13 1 H SER 1 H SER 1 4.298 0.758 -0.441 2 HA SER 1 HA SER 1 1.948 2.172 -0.724 3 1HB SER 1 1HB SER 1 4.680 3.025 -1.735 4 2HB SER 1 2HB SER 1 3.307 4.083 -1.351 5 HG SER 1 HG SER 1 4.525 4.060 0.464 6 H GLY 2 H GLY 2 0.477 2.416 -2.306 7 1HA GLY 2 1HA GLY 2 -0.288 1.963 -4.608 8 2HA GLY 2 2HA GLY 2 1.320 2.306 -5.196 9 H SER 3 H SER 3 0.270 4.470 -2.718 10 HA SER 3 HA SER 3 0.236 6.711 -4.625 11 1HB SER 3 1HB SER 3 -2.160 5.994 -4.445 12 2HB SER 3 2HB SER 3 -2.069 6.217 -2.692 13 HG SER 3 HG SER 3 -1.963 8.154 -4.763 14 H ASP 4 H ASP 4 0.591 8.720 -3.628 15 HA ASP 4 HA ASP 4 1.909 8.753 -0.978 16 1HB ASP 4 1HB ASP 4 2.818 9.936 -2.997 17 2HB ASP 4 2HB ASP 4 1.393 10.972 -2.996 18 H GLY 5 H GLY 5 -1.269 9.048 -2.116 19 1HA GLY 5 1HA GLY 5 -3.225 9.997 -1.416 20 2HA GLY 5 2HA GLY 5 -2.293 11.264 -0.630 21 H GLY 6 H GLY 6 -1.208 8.507 0.820 22 1HA GLY 6 1HA GLY 6 -3.220 7.567 2.571 23 2HA GLY 6 2HA GLY 6 -2.498 8.997 3.319 24 H VAL 7 H VAL 7 -2.253 6.800 4.731 25 HA VAL 7 HA VAL 7 0.621 6.437 4.924 26 HB VAL 7 HB VAL 7 0.106 5.106 6.935 27 1HG1 VAL 7 1HG1 VAL 7 0.400 7.555 7.042 28 2HG1 VAL 7 2HG1 VAL 7 -1.354 7.776 6.846 29 3HG1 VAL 7 3HG1 VAL 7 -0.711 6.959 8.285 30 1HG2 VAL 7 1HG2 VAL 7 -2.090 4.125 6.368 31 2HG2 VAL 7 2HG2 VAL 7 -2.161 5.037 7.874 32 3HG2 VAL 7 3HG2 VAL 7 -2.832 5.741 6.393 33 H CYS 8 H CYS 8 1.823 4.772 4.512 34 HA CYS 8 HA CYS 8 0.768 2.070 4.324 35 1HB CYS 8 1HB CYS 8 0.542 2.681 1.980 36 2HB CYS 8 2HB CYS 8 2.246 3.169 1.909 37 HA PRO 9 HA PRO 9 4.730 2.176 6.505 38 1HB PRO 9 1HB PRO 9 4.476 -0.013 8.074 39 2HB PRO 9 2HB PRO 9 3.447 1.429 8.284 40 1HG PRO 9 1HG PRO 9 2.767 -1.093 6.724 41 2HG PRO 9 2HG PRO 9 1.804 -0.306 8.017 42 1HD PRO 9 1HD PRO 9 1.362 0.166 5.370 43 2HD PRO 9 2HD PRO 9 1.180 1.463 6.591 44 H LYS 10 H LYS 10 4.054 0.149 3.964 45 HA LYS 10 HA LYS 10 5.114 -1.499 2.744 46 1HB LYS 10 1HB LYS 10 7.584 0.074 3.572 47 2HB LYS 10 2HB LYS 10 7.459 -1.024 2.194 48 1HG LYS 10 1HG LYS 10 5.759 0.464 1.157 49 2HG LYS 10 2HG LYS 10 5.942 1.599 2.514 50 1HD LYS 10 1HD LYS 10 8.379 1.797 1.997 51 2HD LYS 10 2HD LYS 10 8.158 0.719 0.603 52 1HE LYS 10 1HE LYS 10 6.549 2.336 -0.380 53 2HE LYS 10 2HE LYS 10 6.768 3.401 1.014 54 1HZ LYS 10 1HZ LYS 10 9.118 3.620 0.396 55 2HZ LYS 10 2HZ LYS 10 8.918 2.638 -0.896 56 3HZ LYS 10 3HZ LYS 10 8.170 4.089 -0.846 57 H ILE 11 H ILE 11 4.414 -2.647 4.900 58 HA ILE 11 HA ILE 11 6.581 -4.073 6.281 59 HB ILE 11 HB ILE 11 4.690 -5.304 7.388 60 1HG1 ILE 11 1HG1 ILE 11 2.878 -3.342 5.897 61 2HG1 ILE 11 2HG1 ILE 11 3.005 -5.067 5.561 62 1HG2 ILE 11 1HG2 ILE 11 5.794 -3.329 8.349 63 2HG2 ILE 11 2HG2 ILE 11 4.628 -2.269 7.544 64 3HG2 ILE 11 3HG2 ILE 11 4.095 -3.395 8.810 65 1HD1 ILE 11 1HD1 ILE 11 2.248 -5.524 7.929 66 2HD1 ILE 11 2HD1 ILE 11 1.943 -3.779 8.102 67 3HD1 ILE 11 3HD1 ILE 11 1.048 -4.716 6.896 68 H LEU 12 H LEU 12 6.648 -6.325 6.423 69 HA LEU 12 HA LEU 12 6.739 -7.704 3.841 70 1HB LEU 12 1HB LEU 12 7.447 -8.648 6.645 71 2HB LEU 12 2HB LEU 12 7.804 -9.524 5.157 72 HG LEU 12 HG LEU 12 8.953 -6.795 5.884 73 1HD1 LEU 12 1HD1 LEU 12 9.812 -8.635 7.284 74 2HD1 LEU 12 2HD1 LEU 12 10.228 -9.560 5.824 75 3HD1 LEU 12 3HD1 LEU 12 11.054 -8.025 6.179 76 1HD2 LEU 12 1HD2 LEU 12 9.539 -8.661 3.539 77 2HD2 LEU 12 2HD2 LEU 12 8.821 -7.035 3.444 78 3HD2 LEU 12 3HD2 LEU 12 10.493 -7.226 3.972 79 H LYS 13 H LYS 13 4.065 -7.128 5.260 80 HA LYS 13 HA LYS 13 2.747 -9.677 5.681 81 1HB LYS 13 1HB LYS 13 1.951 -7.479 6.549 82 2HB LYS 13 2HB LYS 13 1.538 -6.986 4.895 83 1HG LYS 13 1HG LYS 13 -0.059 -8.872 4.738 84 2HG LYS 13 2HG LYS 13 0.421 -9.424 6.357 85 1HD LYS 13 1HD LYS 13 -0.336 -7.184 7.263 86 2HD LYS 13 2HD LYS 13 -0.987 -6.801 5.663 87 1HE LYS 13 1HE LYS 13 -1.778 -9.198 7.392 88 2HE LYS 13 2HE LYS 13 -2.682 -7.684 7.288 89 1HZ LYS 13 1HZ LYS 13 -3.016 -8.096 4.929 90 2HZ LYS 13 2HZ LYS 13 -2.205 -9.526 5.007 91 3HZ LYS 13 3HZ LYS 13 -3.620 -9.340 5.807 92 H LYS 14 H LYS 14 2.569 -11.183 4.150 93 HA LYS 14 HA LYS 14 2.570 -10.650 1.302 94 1HB LYS 14 1HB LYS 14 1.973 -13.175 2.906 95 2HB LYS 14 2HB LYS 14 1.882 -13.080 1.141 96 1HG LYS 14 1HG LYS 14 4.262 -12.124 1.206 97 2HG LYS 14 2HG LYS 14 4.325 -12.638 2.891 98 1HD LYS 14 1HD LYS 14 5.406 -14.294 1.522 99 2HD LYS 14 2HD LYS 14 3.913 -14.987 2.145 100 1HE LYS 14 1HE LYS 14 4.330 -15.580 -0.220 101 2HE LYS 14 2HE LYS 14 2.811 -14.712 -0.009 102 1HZ LYS 14 1HZ LYS 14 5.326 -13.417 -0.916 103 2HZ LYS 14 2HZ LYS 14 4.151 -13.924 -1.926 104 3HZ LYS 14 3HZ LYS 14 3.840 -12.718 -0.868 105 H CYS 15 H CYS 15 0.947 -10.878 -0.109 106 HA CYS 15 HA CYS 15 -1.912 -10.970 0.850 107 1HB CYS 15 1HB CYS 15 -2.411 -8.895 -0.372 108 2HB CYS 15 2HB CYS 15 -1.211 -8.636 0.862 109 H ARG 16 H ARG 16 -3.471 -10.769 -0.957 110 HA ARG 16 HA ARG 16 -2.629 -11.809 -3.636 111 1HB ARG 16 1HB ARG 16 -5.026 -12.778 -2.011 112 2HB ARG 16 2HB ARG 16 -4.735 -13.177 -3.701 113 1HG ARG 16 1HG ARG 16 -2.926 -13.973 -1.382 114 2HG ARG 16 2HG ARG 16 -4.111 -15.003 -2.177 115 1HD ARG 16 1HD ARG 16 -2.905 -14.785 -4.326 116 2HD ARG 16 2HD ARG 16 -1.681 -13.773 -3.561 117 HE ARG 16 HE ARG 16 -1.981 -16.679 -3.350 118 1HH1 ARG 16 1HH1 ARG 16 -0.533 -17.883 -2.233 119 2HH1 ARG 16 2HH1 ARG 16 0.628 -17.119 -1.186 120 1HH2 ARG 16 1HH2 ARG 16 -0.440 -13.905 -1.817 121 2HH2 ARG 16 2HH2 ARG 16 0.640 -14.942 -0.914 122 H ARG 17 H ARG 17 -4.546 -9.601 -1.783 123 HA ARG 17 HA ARG 17 -5.315 -8.177 -4.272 124 1HB ARG 17 1HB ARG 17 -7.644 -7.836 -3.494 125 2HB ARG 17 2HB ARG 17 -7.294 -9.512 -3.913 126 1HG ARG 17 1HG ARG 17 -7.172 -10.137 -1.544 127 2HG ARG 17 2HG ARG 17 -7.290 -8.443 -1.049 128 1HD ARG 17 1HD ARG 17 -9.438 -9.527 -0.752 129 2HD ARG 17 2HD ARG 17 -9.550 -8.295 -2.021 130 HE ARG 17 HE ARG 17 -8.962 -10.900 -3.136 131 1HH1 ARG 17 1HH1 ARG 17 -10.465 -12.004 -4.317 132 2HH1 ARG 17 2HH1 ARG 17 -12.152 -11.591 -4.178 133 1HH2 ARG 17 1HH2 ARG 17 -11.682 -9.077 -1.898 134 2HH2 ARG 17 2HH2 ARG 17 -12.831 -9.979 -2.854 135 H ASP 18 H ASP 18 -6.174 -5.978 -3.800 136 HA ASP 18 HA ASP 18 -4.273 -4.628 -2.105 137 1HB ASP 18 1HB ASP 18 -6.813 -3.487 -3.319 138 2HB ASP 18 2HB ASP 18 -5.404 -2.582 -2.749 139 H SER 19 H SER 19 -7.435 -5.863 -1.477 140 HA SER 19 HA SER 19 -8.137 -4.296 0.851 141 1HB SER 19 1HB SER 19 -9.015 -7.128 0.191 142 2HB SER 19 2HB SER 19 -9.822 -5.975 1.267 143 HG SER 19 HG SER 19 -10.849 -5.945 -0.736 144 H ASP 20 H ASP 20 -5.818 -6.788 0.406 145 HA ASP 20 HA ASP 20 -5.693 -7.787 3.164 146 1HB ASP 20 1HB ASP 20 -3.779 -7.868 0.824 147 2HB ASP 20 2HB ASP 20 -3.460 -8.713 2.299 148 H CYS 21 H CYS 21 -4.764 -4.822 1.760 149 HA CYS 21 HA CYS 21 -2.517 -4.415 3.683 150 1HB CYS 21 1HB CYS 21 -2.890 -3.235 0.917 151 2HB CYS 21 2HB CYS 21 -1.466 -3.100 1.953 152 HA PRO 22 HA PRO 22 -4.753 -0.932 5.227 153 1HB PRO 22 1HB PRO 22 -2.838 0.511 6.517 154 2HB PRO 22 2HB PRO 22 -3.285 -1.148 7.013 155 1HG PRO 22 1HG PRO 22 -0.983 -0.299 5.231 156 2HG PRO 22 2HG PRO 22 -0.918 -1.363 6.672 157 1HD PRO 22 1HD PRO 22 -1.081 -2.388 4.152 158 2HD PRO 22 2HD PRO 22 -1.938 -3.149 5.524 159 H GLY 23 H GLY 23 -4.978 1.381 5.279 160 1HA GLY 23 1HA GLY 23 -3.749 3.520 4.390 161 2HA GLY 23 2HA GLY 23 -5.472 3.331 4.126 162 H ALA 24 H ALA 24 -2.421 3.667 2.689 163 HA ALA 24 HA ALA 24 -3.592 3.805 -0.056 164 1HB ALA 24 1HB ALA 24 -2.794 5.907 0.924 165 2HB ALA 24 2HB ALA 24 -1.827 5.449 -0.484 166 3HB ALA 24 3HB ALA 24 -1.170 5.194 1.145 167 H CYS 25 H CYS 25 -2.056 1.451 1.542 168 HA CYS 25 HA CYS 25 0.071 0.771 -0.317 169 1HB CYS 25 1HB CYS 25 -1.579 -1.004 1.499 170 2HB CYS 25 2HB CYS 25 -0.077 -1.434 0.688 171 H ILE 26 H ILE 26 -0.038 -1.084 -1.633 172 HA ILE 26 HA ILE 26 -2.631 -2.076 -2.712 173 HB ILE 26 HB ILE 26 -1.526 -2.265 -4.947 174 1HG1 ILE 26 1HG1 ILE 26 0.553 -0.260 -4.014 175 2HG1 ILE 26 2HG1 ILE 26 0.870 -1.982 -3.959 176 1HG2 ILE 26 1HG2 ILE 26 -3.095 -0.444 -4.463 177 2HG2 ILE 26 2HG2 ILE 26 -1.761 0.565 -3.865 178 3HG2 ILE 26 3HG2 ILE 26 -1.828 0.101 -5.577 179 1HD1 ILE 26 1HD1 ILE 26 0.134 -0.470 -6.495 180 2HD1 ILE 26 2HD1 ILE 26 1.760 -0.952 -6.006 181 3HD1 ILE 26 3HD1 ILE 26 0.555 -2.208 -6.365 182 H CYS 27 H CYS 27 -2.318 -4.208 -3.751 183 HA CYS 27 HA CYS 27 -0.204 -5.829 -2.395 184 1HB CYS 27 1HB CYS 27 -2.515 -6.615 -2.173 185 2HB CYS 27 2HB CYS 27 -2.677 -6.707 -3.940 186 H ARG 28 H ARG 28 1.613 -5.866 -3.510 187 HA ARG 28 HA ARG 28 1.700 -5.073 -6.332 188 1HB ARG 28 1HB ARG 28 3.865 -5.609 -4.244 189 2HB ARG 28 2HB ARG 28 4.165 -4.959 -5.870 190 1HG ARG 28 1HG ARG 28 2.641 -3.072 -5.403 191 2HG ARG 28 2HG ARG 28 2.364 -3.669 -3.760 192 1HD ARG 28 1HD ARG 28 4.984 -2.676 -4.874 193 2HD ARG 28 2HD ARG 28 3.872 -1.806 -3.794 194 HE ARG 28 HE ARG 28 4.282 -3.976 -2.286 195 1HH1 ARG 28 1HH1 ARG 28 6.827 -2.322 -4.035 196 2HH1 ARG 28 2HH1 ARG 28 8.021 -2.744 -2.837 197 1HH2 ARG 28 1HH2 ARG 28 5.768 -4.295 -0.740 198 2HH2 ARG 28 2HH2 ARG 28 7.441 -3.880 -1.038 199 H GLY 29 H GLY 29 3.520 -6.212 -7.614 200 1HA GLY 29 1HA GLY 29 3.769 -7.953 -9.150 201 2HA GLY 29 2HA GLY 29 2.311 -8.677 -8.475 202 H ASN 30 H ASN 30 4.856 -8.098 -6.293 203 HA ASN 30 HA ASN 30 6.079 -10.780 -6.352 204 1HB ASN 30 1HB ASN 30 7.421 -9.968 -4.508 205 2HB ASN 30 2HB ASN 30 7.403 -8.774 -5.803 206 2HD2 ASN 30 2HD2 ASN 30 8.258 -7.902 -3.384 207 1HD2 ASN 30 1HD2 ASN 30 7.000 -6.914 -2.649 208 H GLY 31 H GLY 31 3.125 -9.656 -5.122 209 1HA GLY 31 1HA GLY 31 2.673 -12.088 -3.548 210 2HA GLY 31 2HA GLY 31 1.526 -10.789 -3.862 211 H TYR 32 H TYR 32 3.286 -8.668 -2.837 212 HA TYR 32 HA TYR 32 2.740 -9.003 0.075 213 1HB TYR 32 1HB TYR 32 5.214 -7.901 -1.232 214 2HB TYR 32 2HB TYR 32 4.834 -7.604 0.445 215 HD1 TYR 32 HD1 TYR 32 6.041 -10.114 -1.983 216 HD2 TYR 32 HD2 TYR 32 5.171 -9.271 2.140 217 HE1 TYR 32 HE1 TYR 32 7.523 -11.993 -1.301 218 HE2 TYR 32 HE2 TYR 32 6.712 -11.119 2.842 219 HH TYR 32 HH TYR 32 8.470 -13.126 0.453 220 H CYS 33 H CYS 33 2.413 -7.029 1.199 221 HA CYS 33 HA CYS 33 1.056 -4.962 -0.275 222 1HB CYS 33 1HB CYS 33 2.050 -5.123 2.596 223 2HB CYS 33 2HB CYS 33 1.014 -3.839 1.975 224 H GLY 34 H GLY 34 1.607 -2.755 -0.492 225 1HA GLY 34 1HA GLY 34 4.369 -1.921 -0.859 226 2HA GLY 34 2HA GLY 34 3.748 -1.373 0.692 No H/Q in entry = 226 Start of MODEL 14 1 H SER 1 H SER 1 4.310 0.563 -1.598 2 HA SER 1 HA SER 1 1.973 2.068 -1.532 3 1HB SER 1 1HB SER 1 4.440 2.515 -3.250 4 2HB SER 1 2HB SER 1 3.191 3.730 -2.909 5 HG SER 1 HG SER 1 4.922 3.935 -1.475 6 H GLY 2 H GLY 2 0.383 2.706 -2.920 7 1HA GLY 2 1HA GLY 2 -0.771 1.462 -4.974 8 2HA GLY 2 2HA GLY 2 0.593 2.136 -5.842 9 H SER 3 H SER 3 -0.459 4.318 -3.398 10 HA SER 3 HA SER 3 -1.563 6.111 -5.467 11 1HB SER 3 1HB SER 3 -3.534 4.939 -4.575 12 2HB SER 3 2HB SER 3 -3.080 5.388 -2.925 13 HG SER 3 HG SER 3 -4.675 6.777 -3.985 14 H ASP 4 H ASP 4 -1.515 8.274 -4.909 15 HA ASP 4 HA ASP 4 0.421 9.151 -2.847 16 1HB ASP 4 1HB ASP 4 0.410 10.021 -5.202 17 2HB ASP 4 2HB ASP 4 -1.178 10.723 -4.906 18 H GLY 5 H GLY 5 -2.914 8.563 -2.959 19 1HA GLY 5 1HA GLY 5 -4.778 9.240 -1.811 20 2HA GLY 5 2HA GLY 5 -4.016 10.807 -1.576 21 H GLY 6 H GLY 6 -1.942 8.632 -0.156 22 1HA GLY 6 1HA GLY 6 -3.159 7.855 2.297 23 2HA GLY 6 2HA GLY 6 -2.428 9.452 2.514 24 H VAL 7 H VAL 7 -1.465 7.575 4.079 25 HA VAL 7 HA VAL 7 1.311 7.145 3.240 26 HB VAL 7 HB VAL 7 0.701 7.965 5.498 27 1HG1 VAL 7 1HG1 VAL 7 -1.327 6.593 5.938 28 2HG1 VAL 7 2HG1 VAL 7 -0.305 5.145 6.073 29 3HG1 VAL 7 3HG1 VAL 7 -0.126 6.476 7.230 30 1HG2 VAL 7 1HG2 VAL 7 2.875 6.836 5.073 31 2HG2 VAL 7 2HG2 VAL 7 2.302 6.690 6.741 32 3HG2 VAL 7 3HG2 VAL 7 2.164 5.305 5.649 33 H CYS 8 H CYS 8 2.310 5.195 3.133 34 HA CYS 8 HA CYS 8 0.765 2.681 3.375 35 1HB CYS 8 1HB CYS 8 0.723 2.931 1.013 36 2HB CYS 8 2HB CYS 8 2.447 3.346 0.945 37 HA PRO 9 HA PRO 9 4.745 1.891 5.538 38 1HB PRO 9 1HB PRO 9 3.825 0.067 7.333 39 2HB PRO 9 2HB PRO 9 3.603 1.826 7.556 40 1HG PRO 9 1HG PRO 9 1.607 -0.174 6.461 41 2HG PRO 9 2HG PRO 9 1.340 1.097 7.692 42 1HD PRO 9 1HD PRO 9 0.712 1.424 5.044 43 2HD PRO 9 2HD PRO 9 1.247 2.787 6.068 44 H LYS 10 H LYS 10 6.055 0.596 4.390 45 HA LYS 10 HA LYS 10 5.007 -1.479 2.597 46 1HB LYS 10 1HB LYS 10 7.864 -0.473 2.979 47 2HB LYS 10 2HB LYS 10 7.312 -1.616 1.757 48 1HG LYS 10 1HG LYS 10 7.250 0.276 0.497 49 2HG LYS 10 2HG LYS 10 5.594 0.285 1.108 50 1HD LYS 10 1HD LYS 10 6.401 1.872 2.946 51 2HD LYS 10 2HD LYS 10 7.967 1.929 2.128 52 1HE LYS 10 1HE LYS 10 6.996 2.920 0.162 53 2HE LYS 10 2HE LYS 10 5.356 2.518 0.697 54 1HZ LYS 10 1HZ LYS 10 7.098 4.472 2.088 55 2HZ LYS 10 2HZ LYS 10 5.869 4.861 1.082 56 3HZ LYS 10 3HZ LYS 10 5.550 4.076 2.482 57 H ILE 11 H ILE 11 4.224 -2.669 4.491 58 HA ILE 11 HA ILE 11 6.060 -4.238 6.092 59 HB ILE 11 HB ILE 11 3.990 -5.329 6.929 60 1HG1 ILE 11 1HG1 ILE 11 2.492 -3.463 5.020 61 2HG1 ILE 11 2HG1 ILE 11 2.588 -5.214 4.886 62 1HG2 ILE 11 1HG2 ILE 11 4.964 -3.224 7.879 63 2HG2 ILE 11 2HG2 ILE 11 3.808 -2.290 6.904 64 3HG2 ILE 11 3HG2 ILE 11 3.233 -3.394 8.169 65 1HD1 ILE 11 1HD1 ILE 11 1.449 -5.386 7.139 66 2HD1 ILE 11 2HD1 ILE 11 1.184 -3.629 7.059 67 3HD1 ILE 11 3HD1 ILE 11 0.469 -4.688 5.836 68 H LEU 12 H LEU 12 6.486 -6.325 6.038 69 HA LEU 12 HA LEU 12 6.333 -7.824 3.525 70 1HB LEU 12 1HB LEU 12 7.653 -9.553 4.696 71 2HB LEU 12 2HB LEU 12 8.372 -7.959 4.612 72 HG LEU 12 HG LEU 12 7.868 -7.520 6.968 73 1HD1 LEU 12 1HD1 LEU 12 6.752 -10.353 7.042 74 2HD1 LEU 12 2HD1 LEU 12 7.150 -9.370 8.468 75 3HD1 LEU 12 3HD1 LEU 12 5.861 -8.849 7.385 76 1HD2 LEU 12 1HD2 LEU 12 9.989 -8.590 6.313 77 2HD2 LEU 12 2HD2 LEU 12 9.463 -9.117 7.918 78 3HD2 LEU 12 3HD2 LEU 12 9.248 -10.193 6.520 79 H LYS 13 H LYS 13 3.815 -7.273 4.953 80 HA LYS 13 HA LYS 13 2.589 -9.847 5.630 81 1HB LYS 13 1HB LYS 13 1.738 -7.634 6.424 82 2HB LYS 13 2HB LYS 13 1.317 -7.213 4.753 83 1HG LYS 13 1HG LYS 13 -0.215 -9.198 4.682 84 2HG LYS 13 2HG LYS 13 0.198 -9.545 6.374 85 1HD LYS 13 1HD LYS 13 -0.669 -7.263 6.997 86 2HD LYS 13 2HD LYS 13 -1.145 -7.023 5.300 87 1HE LYS 13 1HE LYS 13 -2.548 -9.110 5.464 88 2HE LYS 13 2HE LYS 13 -2.141 -9.210 7.186 89 1HZ LYS 13 1HZ LYS 13 -3.191 -7.000 7.457 90 2HZ LYS 13 2HZ LYS 13 -3.580 -6.981 5.856 91 3HZ LYS 13 3HZ LYS 13 -4.262 -8.082 6.860 92 H LYS 14 H LYS 14 2.541 -11.392 4.108 93 HA LYS 14 HA LYS 14 2.464 -10.988 1.243 94 1HB LYS 14 1HB LYS 14 1.717 -13.402 2.952 95 2HB LYS 14 2HB LYS 14 1.713 -13.378 1.179 96 1HG LYS 14 1HG LYS 14 4.101 -12.845 1.130 97 2HG LYS 14 2HG LYS 14 4.160 -12.830 2.909 98 1HD LYS 14 1HD LYS 14 3.506 -15.216 2.955 99 2HD LYS 14 2HD LYS 14 3.428 -15.234 1.179 100 1HE LYS 14 1HE LYS 14 5.825 -14.612 1.062 101 2HE LYS 14 2HE LYS 14 5.913 -14.574 2.827 102 1HZ LYS 14 1HZ LYS 14 5.292 -16.988 1.203 103 2HZ LYS 14 2HZ LYS 14 6.714 -16.689 1.945 104 3HZ LYS 14 3HZ LYS 14 5.373 -16.955 2.836 105 H CYS 15 H CYS 15 0.852 -10.951 -0.095 106 HA CYS 15 HA CYS 15 -2.008 -11.043 0.877 107 1HB CYS 15 1HB CYS 15 -2.477 -8.937 -0.312 108 2HB CYS 15 2HB CYS 15 -1.297 -8.741 0.947 109 H ARG 16 H ARG 16 -3.582 -10.826 -0.857 110 HA ARG 16 HA ARG 16 -2.837 -11.940 -3.532 111 1HB ARG 16 1HB ARG 16 -3.651 -13.761 -1.998 112 2HB ARG 16 2HB ARG 16 -5.164 -12.891 -1.802 113 1HG ARG 16 1HG ARG 16 -5.376 -14.761 -3.368 114 2HG ARG 16 2HG ARG 16 -5.733 -13.234 -4.157 115 1HD ARG 16 1HD ARG 16 -4.412 -14.676 -5.631 116 2HD ARG 16 2HD ARG 16 -3.516 -13.226 -5.230 117 HE ARG 16 HE ARG 16 -1.942 -14.484 -4.042 118 1HH1 ARG 16 1HH1 ARG 16 -0.853 -16.299 -3.460 119 2HH1 ARG 16 2HH1 ARG 16 -1.616 -17.856 -3.603 120 1HH2 ARG 16 1HH2 ARG 16 -4.577 -16.655 -4.839 121 2HH2 ARG 16 2HH2 ARG 16 -3.664 -18.061 -4.360 122 H ARG 17 H ARG 17 -4.646 -9.701 -1.679 123 HA ARG 17 HA ARG 17 -5.836 -8.455 -4.115 124 1HB ARG 17 1HB ARG 17 -8.012 -8.149 -2.907 125 2HB ARG 17 2HB ARG 17 -7.661 -9.847 -3.256 126 1HG ARG 17 1HG ARG 17 -6.927 -10.241 -0.977 127 2HG ARG 17 2HG ARG 17 -7.044 -8.517 -0.589 128 1HD ARG 17 1HD ARG 17 -9.513 -8.671 -0.910 129 2HD ARG 17 2HD ARG 17 -9.327 -10.428 -1.130 130 HE ARG 17 HE ARG 17 -7.901 -9.841 1.200 131 1HH1 ARG 17 1HH1 ARG 17 -8.540 -9.944 3.212 132 2HH1 ARG 17 2HH1 ARG 17 -10.231 -9.821 3.652 133 1HH2 ARG 17 1HH2 ARG 17 -11.293 -9.467 0.385 134 2HH2 ARG 17 2HH2 ARG 17 -11.772 -9.543 2.062 135 H ASP 18 H ASP 18 -6.534 -6.208 -3.698 136 HA ASP 18 HA ASP 18 -4.460 -4.809 -2.229 137 1HB ASP 18 1HB ASP 18 -7.020 -3.739 -3.473 138 2HB ASP 18 2HB ASP 18 -5.652 -2.764 -2.922 139 H SER 19 H SER 19 -7.613 -5.866 -1.329 140 HA SER 19 HA SER 19 -8.032 -4.100 0.966 141 1HB SER 19 1HB SER 19 -9.267 -6.794 0.285 142 2HB SER 19 2HB SER 19 -9.789 -5.735 1.603 143 HG SER 19 HG SER 19 -9.721 -4.968 -1.150 144 H ASP 20 H ASP 20 -5.932 -6.793 0.483 145 HA ASP 20 HA ASP 20 -5.729 -7.677 3.263 146 1HB ASP 20 1HB ASP 20 -3.887 -7.845 0.866 147 2HB ASP 20 2HB ASP 20 -3.521 -8.639 2.360 148 H CYS 21 H CYS 21 -4.683 -4.818 1.623 149 HA CYS 21 HA CYS 21 -2.405 -4.414 3.489 150 1HB CYS 21 1HB CYS 21 -2.922 -3.309 0.713 151 2HB CYS 21 2HB CYS 21 -1.467 -3.051 1.682 152 HA PRO 22 HA PRO 22 -4.386 -0.898 5.236 153 1HB PRO 22 1HB PRO 22 -2.316 0.423 6.419 154 2HB PRO 22 2HB PRO 22 -2.794 -1.231 6.901 155 1HG PRO 22 1HG PRO 22 -0.594 -0.429 4.967 156 2HG PRO 22 2HG PRO 22 -0.474 -1.534 6.376 157 1HD PRO 22 1HD PRO 22 -0.864 -2.456 3.842 158 2HD PRO 22 2HD PRO 22 -1.641 -3.236 5.253 159 H GLY 23 H GLY 23 -4.524 1.432 5.349 160 1HA GLY 23 1HA GLY 23 -3.142 3.483 4.320 161 2HA GLY 23 2HA GLY 23 -4.901 3.479 4.344 162 H ALA 24 H ALA 24 -2.226 3.875 2.441 163 HA ALA 24 HA ALA 24 -3.776 3.798 -0.100 164 1HB ALA 24 1HB ALA 24 -2.865 5.946 0.686 165 2HB ALA 24 2HB ALA 24 -2.137 5.453 -0.849 166 3HB ALA 24 3HB ALA 24 -1.219 5.260 0.653 167 H CYS 25 H CYS 25 -1.994 1.525 1.337 168 HA CYS 25 HA CYS 25 -0.092 0.821 -0.737 169 1HB CYS 25 1HB CYS 25 -1.415 -0.919 1.365 170 2HB CYS 25 2HB CYS 25 0.008 -1.316 0.410 171 H ILE 26 H ILE 26 -0.265 -1.243 -1.805 172 HA ILE 26 HA ILE 26 -2.902 -2.349 -2.581 173 HB ILE 26 HB ILE 26 -2.047 -2.610 -4.928 174 1HG1 ILE 26 1HG1 ILE 26 0.024 -0.498 -4.289 175 2HG1 ILE 26 2HG1 ILE 26 0.409 -2.207 -4.269 176 1HG2 ILE 26 1HG2 ILE 26 -3.695 -0.889 -4.339 177 2HG2 ILE 26 2HG2 ILE 26 -2.399 0.273 -4.015 178 3HG2 ILE 26 3HG2 ILE 26 -2.654 -0.349 -5.660 179 1HD1 ILE 26 1HD1 ILE 26 -0.681 -0.782 -6.722 180 2HD1 ILE 26 2HD1 ILE 26 1.019 -1.147 -6.407 181 3HD1 ILE 26 3HD1 ILE 26 -0.131 -2.479 -6.600 182 H CYS 27 H CYS 27 -2.496 -4.503 -3.716 183 HA CYS 27 HA CYS 27 -0.291 -5.975 -2.367 184 1HB CYS 27 1HB CYS 27 -2.590 -6.886 -2.400 185 2HB CYS 27 2HB CYS 27 -2.509 -7.028 -4.165 186 H ARG 28 H ARG 28 1.582 -5.693 -3.329 187 HA ARG 28 HA ARG 28 1.955 -4.769 -6.061 188 1HB ARG 28 1HB ARG 28 3.919 -5.779 -3.953 189 2HB ARG 28 2HB ARG 28 4.397 -4.980 -5.436 190 1HG ARG 28 1HG ARG 28 2.687 -3.685 -3.263 191 2HG ARG 28 2HG ARG 28 4.438 -3.562 -3.351 192 1HD ARG 28 1HD ARG 28 2.555 -2.599 -5.535 193 2HD ARG 28 2HD ARG 28 3.223 -1.582 -4.251 194 HE ARG 28 HE ARG 28 5.314 -2.981 -5.694 195 1HH1 ARG 28 1HH1 ARG 28 6.610 -1.998 -7.166 196 2HH1 ARG 28 2HH1 ARG 28 6.233 -0.388 -7.712 197 1HH2 ARG 28 1HH2 ARG 28 3.414 -0.020 -5.802 198 2HH2 ARG 28 2HH2 ARG 28 4.457 0.666 -7.018 199 H GLY 29 H GLY 29 3.636 -5.868 -7.394 200 1HA GLY 29 1HA GLY 29 3.959 -7.527 -9.012 201 2HA GLY 29 2HA GLY 29 2.532 -8.348 -8.384 202 H ASN 30 H ASN 30 5.021 -7.740 -6.114 203 HA ASN 30 HA ASN 30 6.392 -10.333 -6.358 204 1HB ASN 30 1HB ASN 30 7.712 -9.619 -4.499 205 2HB ASN 30 2HB ASN 30 7.564 -8.271 -5.621 206 2HD2 ASN 30 2HD2 ASN 30 8.436 -7.541 -3.219 207 1HD2 ASN 30 1HD2 ASN 30 7.129 -6.829 -2.276 208 H GLY 31 H GLY 31 3.396 -9.455 -5.010 209 1HA GLY 31 1HA GLY 31 3.175 -12.045 -3.572 210 2HA GLY 31 2HA GLY 31 1.864 -10.976 -4.048 211 H TYR 32 H TYR 32 3.665 -8.721 -2.690 212 HA TYR 32 HA TYR 32 2.523 -9.097 0.050 213 1HB TYR 32 1HB TYR 32 5.187 -7.878 -0.640 214 2HB TYR 32 2HB TYR 32 4.514 -7.984 0.960 215 HD1 TYR 32 HD1 TYR 32 5.023 -9.774 2.332 216 HD2 TYR 32 HD2 TYR 32 5.913 -10.054 -1.852 217 HE1 TYR 32 HE1 TYR 32 6.564 -11.676 2.807 218 HE2 TYR 32 HE2 TYR 32 7.358 -12.030 -1.424 219 HH TYR 32 HH TYR 32 8.321 -13.368 0.167 220 H CYS 33 H CYS 33 2.413 -6.979 1.243 221 HA CYS 33 HA CYS 33 1.067 -4.991 -0.346 222 1HB CYS 33 1HB CYS 33 2.060 -4.964 2.527 223 2HB CYS 33 2HB CYS 33 1.001 -3.740 1.829 224 H GLY 34 H GLY 34 1.599 -2.846 -0.850 225 1HA GLY 34 1HA GLY 34 4.257 -2.096 -1.520 226 2HA GLY 34 2HA GLY 34 3.870 -1.388 0.053 No H/Q in entry = 226 Start of MODEL 15 1 H SER 1 H SER 1 4.376 0.601 -1.232 2 HA SER 1 HA SER 1 1.984 2.035 -1.278 3 1HB SER 1 1HB SER 1 4.598 2.749 -2.657 4 2HB SER 1 2HB SER 1 3.272 3.868 -2.286 5 HG SER 1 HG SER 1 4.669 4.040 -0.610 6 H GLY 2 H GLY 2 0.437 2.530 -2.727 7 1HA GLY 2 1HA GLY 2 -0.756 1.918 -4.765 8 2HA GLY 2 2HA GLY 2 0.766 1.765 -5.608 9 H SER 3 H SER 3 1.015 4.539 -3.736 10 HA SER 3 HA SER 3 0.633 6.271 -6.094 11 1HB SER 3 1HB SER 3 -0.590 7.962 -4.813 12 2HB SER 3 2HB SER 3 -1.496 6.446 -4.907 13 HG SER 3 HG SER 3 -1.513 7.326 -2.794 14 H ASP 4 H ASP 4 1.635 8.364 -5.875 15 HA ASP 4 HA ASP 4 4.302 8.226 -4.823 16 1HB ASP 4 1HB ASP 4 3.761 9.408 -6.879 17 2HB ASP 4 2HB ASP 4 2.703 10.523 -6.011 18 H GLY 5 H GLY 5 4.665 8.230 -2.686 19 1HA GLY 5 1HA GLY 5 4.230 10.631 -1.120 20 2HA GLY 5 2HA GLY 5 4.999 9.144 -0.580 21 H GLY 6 H GLY 6 2.286 7.790 -1.497 22 1HA GLY 6 1HA GLY 6 0.332 7.081 -0.492 23 2HA GLY 6 2HA GLY 6 0.189 8.691 0.220 24 H VAL 7 H VAL 7 -0.777 7.531 1.990 25 HA VAL 7 HA VAL 7 1.025 6.780 4.146 26 HB VAL 7 HB VAL 7 -1.096 6.377 5.433 27 1HG1 VAL 7 1HG1 VAL 7 0.174 8.477 5.519 28 2HG1 VAL 7 2HG1 VAL 7 -0.739 9.105 4.131 29 3HG1 VAL 7 3HG1 VAL 7 -1.564 8.767 5.666 30 1HG2 VAL 7 1HG2 VAL 7 -2.686 5.974 3.522 31 2HG2 VAL 7 2HG2 VAL 7 -3.199 7.269 4.605 32 3HG2 VAL 7 3HG2 VAL 7 -2.486 7.671 3.035 33 H CYS 8 H CYS 8 2.061 5.062 2.960 34 HA CYS 8 HA CYS 8 0.765 2.435 3.557 35 1HB CYS 8 1HB CYS 8 0.880 2.716 1.169 36 2HB CYS 8 2HB CYS 8 2.605 3.086 1.257 37 HA PRO 9 HA PRO 9 4.297 2.292 6.449 38 1HB PRO 9 1HB PRO 9 3.027 -0.431 6.791 39 2HB PRO 9 2HB PRO 9 3.696 0.660 8.048 40 1HG PRO 9 1HG PRO 9 1.036 0.543 7.656 41 2HG PRO 9 2HG PRO 9 1.822 2.152 7.814 42 1HD PRO 9 1HD PRO 9 1.017 0.693 5.285 43 2HD PRO 9 2HD PRO 9 0.745 2.404 5.737 44 H LYS 10 H LYS 10 3.850 0.334 3.667 45 HA LYS 10 HA LYS 10 5.010 -1.320 2.563 46 1HB LYS 10 1HB LYS 10 7.390 0.330 3.501 47 2HB LYS 10 2HB LYS 10 7.402 -0.846 2.183 48 1HG LYS 10 1HG LYS 10 5.767 0.528 0.921 49 2HG LYS 10 2HG LYS 10 5.799 1.740 2.218 50 1HD LYS 10 1HD LYS 10 8.257 2.006 1.905 51 2HD LYS 10 2HD LYS 10 8.205 0.830 0.574 52 1HE LYS 10 1HE LYS 10 6.640 2.309 -0.659 53 2HE LYS 10 2HE LYS 10 6.683 3.470 0.670 54 1HZ LYS 10 1HZ LYS 10 9.034 2.678 -0.973 55 2HZ LYS 10 2HZ LYS 10 8.231 4.094 -1.098 56 3HZ LYS 10 3HZ LYS 10 9.072 3.755 0.257 57 H ILE 11 H ILE 11 4.179 -2.383 4.726 58 HA ILE 11 HA ILE 11 6.277 -3.860 6.187 59 HB ILE 11 HB ILE 11 4.296 -5.079 7.191 60 1HG1 ILE 11 1HG1 ILE 11 2.618 -2.899 5.854 61 2HG1 ILE 11 2HG1 ILE 11 2.651 -4.591 5.352 62 1HG2 ILE 11 1HG2 ILE 11 5.505 -3.255 8.293 63 2HG2 ILE 11 2HG2 ILE 11 4.457 -2.056 7.524 64 3HG2 ILE 11 3HG2 ILE 11 3.794 -3.199 8.709 65 1HD1 ILE 11 1HD1 ILE 11 1.846 -5.235 7.656 66 2HD1 ILE 11 2HD1 ILE 11 1.631 -3.501 7.999 67 3HD1 ILE 11 3HD1 ILE 11 0.705 -4.268 6.699 68 H LEU 12 H LEU 12 6.649 -5.984 6.058 69 HA LEU 12 HA LEU 12 6.335 -7.337 3.473 70 1HB LEU 12 1HB LEU 12 7.640 -8.273 6.056 71 2HB LEU 12 2HB LEU 12 7.738 -9.101 4.501 72 HG LEU 12 HG LEU 12 8.856 -6.320 5.069 73 1HD1 LEU 12 1HD1 LEU 12 10.086 -8.136 6.200 74 2HD1 LEU 12 2HD1 LEU 12 10.246 -8.998 4.654 75 3HD1 LEU 12 3HD1 LEU 12 11.039 -7.423 4.888 76 1HD2 LEU 12 1HD2 LEU 12 9.047 -8.094 2.591 77 2HD2 LEU 12 2HD2 LEU 12 8.245 -6.509 2.700 78 3HD2 LEU 12 3HD2 LEU 12 9.997 -6.617 2.869 79 H LYS 13 H LYS 13 3.873 -6.887 4.684 80 HA LYS 13 HA LYS 13 2.684 -9.416 5.614 81 1HB LYS 13 1HB LYS 13 1.822 -7.146 6.240 82 2HB LYS 13 2HB LYS 13 1.366 -6.870 4.553 83 1HG LYS 13 1HG LYS 13 -0.142 -8.878 4.682 84 2HG LYS 13 2HG LYS 13 0.339 -9.094 6.379 85 1HD LYS 13 1HD LYS 13 -0.546 -6.759 6.840 86 2HD LYS 13 2HD LYS 13 -1.154 -6.727 5.168 87 1HE LYS 13 1HE LYS 13 -2.429 -8.850 5.671 88 2HE LYS 13 2HE LYS 13 -1.894 -8.726 7.355 89 1HZ LYS 13 1HZ LYS 13 -3.044 -6.545 7.445 90 2HZ LYS 13 2HZ LYS 13 -3.567 -6.758 5.895 91 3HZ LYS 13 3HZ LYS 13 -4.088 -7.752 7.084 92 H LYS 14 H LYS 14 2.540 -11.084 4.226 93 HA LYS 14 HA LYS 14 2.522 -10.904 1.335 94 1HB LYS 14 1HB LYS 14 1.687 -13.146 3.228 95 2HB LYS 14 2HB LYS 14 1.699 -13.272 1.461 96 1HG LYS 14 1HG LYS 14 4.104 -12.817 1.392 97 2HG LYS 14 2HG LYS 14 4.148 -12.659 3.164 98 1HD LYS 14 1HD LYS 14 3.420 -15.008 3.403 99 2HD LYS 14 2HD LYS 14 3.341 -15.172 1.633 100 1HE LYS 14 1HE LYS 14 5.757 -14.647 1.473 101 2HE LYS 14 2HE LYS 14 5.848 -14.465 3.227 102 1HZ LYS 14 1HZ LYS 14 5.141 -16.982 1.810 103 2HZ LYS 14 2HZ LYS 14 6.573 -16.673 2.527 104 3HZ LYS 14 3HZ LYS 14 5.224 -16.817 3.434 105 H CYS 15 H CYS 15 0.901 -10.953 -0.028 106 HA CYS 15 HA CYS 15 -1.961 -11.007 0.908 107 1HB CYS 15 1HB CYS 15 -2.450 -8.896 -0.240 108 2HB CYS 15 2HB CYS 15 -1.239 -8.689 0.996 109 H ARG 16 H ARG 16 -3.529 -10.869 -0.807 110 HA ARG 16 HA ARG 16 -2.749 -11.785 -3.553 111 1HB ARG 16 1HB ARG 16 -4.997 -12.964 -1.858 112 2HB ARG 16 2HB ARG 16 -4.751 -13.274 -3.580 113 1HG ARG 16 1HG ARG 16 -2.507 -14.246 -3.080 114 2HG ARG 16 2HG ARG 16 -2.819 -14.025 -1.344 115 1HD ARG 16 1HD ARG 16 -4.816 -15.469 -1.510 116 2HD ARG 16 2HD ARG 16 -4.508 -15.699 -3.245 117 HE ARG 16 HE ARG 16 -2.153 -16.438 -1.832 118 1HH1 ARG 16 1HH1 ARG 16 -1.580 -18.533 -1.446 119 2HH1 ARG 16 2HH1 ARG 16 -2.792 -19.786 -1.475 120 1HH2 ARG 16 1HH2 ARG 16 -5.401 -17.684 -2.201 121 2HH2 ARG 16 2HH2 ARG 16 -4.900 -19.328 -1.890 122 H ARG 17 H ARG 17 -4.587 -9.721 -1.554 123 HA ARG 17 HA ARG 17 -6.131 -8.548 -3.855 124 1HB ARG 17 1HB ARG 17 -7.020 -8.631 -0.948 125 2HB ARG 17 2HB ARG 17 -7.980 -8.182 -2.355 126 1HG ARG 17 1HG ARG 17 -8.006 -10.529 -3.108 127 2HG ARG 17 2HG ARG 17 -6.990 -11.001 -1.730 128 1HD ARG 17 1HD ARG 17 -9.740 -9.742 -1.477 129 2HD ARG 17 2HD ARG 17 -9.401 -11.480 -1.368 130 HE ARG 17 HE ARG 17 -7.680 -10.283 0.506 131 1HH1 ARG 17 1HH1 ARG 17 -7.958 -9.970 2.489 132 2HH1 ARG 17 2HH1 ARG 17 -9.553 -9.908 3.259 133 1HH2 ARG 17 1HH2 ARG 17 -11.173 -10.408 0.225 134 2HH2 ARG 17 2HH2 ARG 17 -11.370 -10.148 1.943 135 H ASP 18 H ASP 18 -6.415 -6.245 -3.737 136 HA ASP 18 HA ASP 18 -4.367 -4.754 -2.297 137 1HB ASP 18 1HB ASP 18 -6.918 -3.734 -3.598 138 2HB ASP 18 2HB ASP 18 -5.542 -2.752 -3.071 139 H SER 19 H SER 19 -7.576 -5.821 -1.443 140 HA SER 19 HA SER 19 -8.005 -4.067 0.828 141 1HB SER 19 1HB SER 19 -9.839 -5.669 1.340 142 2HB SER 19 2HB SER 19 -9.900 -5.004 -0.299 143 HG SER 19 HG SER 19 -10.251 -7.265 -0.277 144 H ASP 20 H ASP 20 -6.014 -6.888 0.384 145 HA ASP 20 HA ASP 20 -5.879 -7.719 3.176 146 1HB ASP 20 1HB ASP 20 -3.919 -7.899 0.875 147 2HB ASP 20 2HB ASP 20 -3.639 -8.689 2.388 148 H CYS 21 H CYS 21 -4.685 -4.933 1.495 149 HA CYS 21 HA CYS 21 -2.489 -4.507 3.447 150 1HB CYS 21 1HB CYS 21 -2.958 -3.332 0.689 151 2HB CYS 21 2HB CYS 21 -1.523 -3.109 1.695 152 HA PRO 22 HA PRO 22 -4.562 -1.031 5.201 153 1HB PRO 22 1HB PRO 22 -2.551 0.269 6.491 154 2HB PRO 22 2HB PRO 22 -3.020 -1.406 6.914 155 1HG PRO 22 1HG PRO 22 -0.790 -0.520 5.053 156 2HG PRO 22 2HG PRO 22 -0.666 -1.640 6.449 157 1HD PRO 22 1HD PRO 22 -0.984 -2.545 3.901 158 2HD PRO 22 2HD PRO 22 -1.793 -3.352 5.278 159 H GLY 23 H GLY 23 -4.715 1.291 5.341 160 1HA GLY 23 1HA GLY 23 -3.324 3.378 4.445 161 2HA GLY 23 2HA GLY 23 -5.077 3.344 4.337 162 H ALA 24 H ALA 24 -2.225 3.697 2.640 163 HA ALA 24 HA ALA 24 -3.615 3.783 0.003 164 1HB ALA 24 1HB ALA 24 -2.637 5.875 0.942 165 2HB ALA 24 2HB ALA 24 -1.917 5.403 -0.607 166 3HB ALA 24 3HB ALA 24 -1.031 5.098 0.898 167 H CYS 25 H CYS 25 -1.945 1.417 1.487 168 HA CYS 25 HA CYS 25 0.019 0.718 -0.535 169 1HB CYS 25 1HB CYS 25 -1.434 -1.016 1.474 170 2HB CYS 25 2HB CYS 25 -0.004 -1.468 0.553 171 H ILE 26 H ILE 26 -0.166 -1.216 -1.745 172 HA ILE 26 HA ILE 26 -2.802 -2.284 -2.609 173 HB ILE 26 HB ILE 26 -1.857 -2.470 -4.936 174 1HG1 ILE 26 1HG1 ILE 26 0.159 -0.347 -4.155 175 2HG1 ILE 26 2HG1 ILE 26 0.573 -2.052 -4.147 176 1HG2 ILE 26 1HG2 ILE 26 -3.532 -0.768 -4.332 177 2HG2 ILE 26 2HG2 ILE 26 -2.244 0.378 -3.928 178 3HG2 ILE 26 3HG2 ILE 26 -2.452 -0.183 -5.599 179 1HD1 ILE 26 1HD1 ILE 26 -0.456 -0.607 -6.612 180 2HD1 ILE 26 2HD1 ILE 26 1.244 -0.902 -6.232 181 3HD1 ILE 26 3HD1 ILE 26 0.170 -2.289 -6.500 182 H CYS 27 H CYS 27 -2.409 -4.420 -3.755 183 HA CYS 27 HA CYS 27 -0.228 -5.936 -2.412 184 1HB CYS 27 1HB CYS 27 -2.546 -6.792 -2.424 185 2HB CYS 27 2HB CYS 27 -2.465 -6.976 -4.185 186 H ARG 28 H ARG 28 1.638 -5.686 -3.377 187 HA ARG 28 HA ARG 28 2.016 -4.781 -6.110 188 1HB ARG 28 1HB ARG 28 3.972 -5.852 -4.013 189 2HB ARG 28 2HB ARG 28 4.461 -5.056 -5.495 190 1HG ARG 28 1HG ARG 28 2.826 -3.748 -3.272 191 2HG ARG 28 2HG ARG 28 4.571 -3.623 -3.448 192 1HD ARG 28 1HD ARG 28 2.550 -2.670 -5.505 193 2HD ARG 28 2HD ARG 28 3.337 -1.643 -4.312 194 HE ARG 28 HE ARG 28 5.520 -2.179 -5.356 195 1HH1 ARG 28 1HH1 ARG 28 6.671 -2.070 -7.211 196 2HH1 ARG 28 2HH1 ARG 28 5.864 -2.217 -8.747 197 1HH2 ARG 28 1HH2 ARG 28 2.725 -2.592 -7.446 198 2HH2 ARG 28 2HH2 ARG 28 3.711 -2.520 -8.881 199 H GLY 29 H GLY 29 3.699 -5.950 -7.434 200 1HA GLY 29 1HA GLY 29 3.929 -7.607 -9.068 201 2HA GLY 29 2HA GLY 29 2.453 -8.347 -8.455 202 H ASN 30 H ASN 30 4.959 -7.925 -6.170 203 HA ASN 30 HA ASN 30 6.160 -10.603 -6.452 204 1HB ASN 30 1HB ASN 30 7.607 -9.961 -4.676 205 2HB ASN 30 2HB ASN 30 7.479 -8.589 -5.772 206 2HD2 ASN 30 2HD2 ASN 30 8.454 -8.221 -3.188 207 1HD2 ASN 30 1HD2 ASN 30 7.236 -7.336 -2.275 208 H GLY 31 H GLY 31 3.252 -9.557 -5.065 209 1HA GLY 31 1HA GLY 31 2.933 -12.093 -3.568 210 2HA GLY 31 2HA GLY 31 1.677 -10.936 -3.984 211 H TYR 32 H TYR 32 3.521 -8.735 -2.777 212 HA TYR 32 HA TYR 32 2.612 -9.070 0.054 213 1HB TYR 32 1HB TYR 32 5.228 -7.998 -0.978 214 2HB TYR 32 2HB TYR 32 4.702 -7.794 0.675 215 HD1 TYR 32 HD1 TYR 32 5.037 -9.474 2.298 216 HD2 TYR 32 HD2 TYR 32 5.879 -10.293 -1.834 217 HE1 TYR 32 HE1 TYR 32 6.473 -11.398 2.982 218 HE2 TYR 32 HE2 TYR 32 7.234 -12.270 -1.176 219 HH TYR 32 HH TYR 32 8.157 -13.442 0.563 220 H CYS 33 H CYS 33 2.392 -7.015 1.202 221 HA CYS 33 HA CYS 33 1.085 -4.984 -0.361 222 1HB CYS 33 1HB CYS 33 2.013 -5.034 2.531 223 2HB CYS 33 2HB CYS 33 0.973 -3.790 1.837 224 H GLY 34 H GLY 34 1.665 -2.871 -0.863 225 1HA GLY 34 1HA GLY 34 4.305 -2.120 -1.495 226 2HA GLY 34 2HA GLY 34 3.976 -1.478 0.122 No H/Q in entry = 226 Start of MODEL 16 1 H SER 1 H SER 1 4.429 0.608 -0.875 2 HA SER 1 HA SER 1 2.227 2.263 -1.245 3 1HB SER 1 1HB SER 1 5.050 2.645 -2.319 4 2HB SER 1 2HB SER 1 3.857 3.926 -2.044 5 HG SER 1 HG SER 1 5.437 3.588 -0.318 6 H GLY 2 H GLY 2 0.812 2.557 -2.874 7 1HA GLY 2 1HA GLY 2 -0.112 2.038 -5.058 8 2HA GLY 2 2HA GLY 2 1.507 1.747 -5.677 9 H SER 3 H SER 3 0.849 3.181 -7.434 10 HA SER 3 HA SER 3 1.859 5.837 -7.219 11 1HB SER 3 1HB SER 3 0.927 6.077 -9.542 12 2HB SER 3 2HB SER 3 2.007 4.695 -9.295 13 HG SER 3 HG SER 3 0.115 4.117 -10.469 14 H ASP 4 H ASP 4 -1.493 4.827 -7.864 15 HA ASP 4 HA ASP 4 -2.680 7.387 -7.102 16 1HB ASP 4 1HB ASP 4 -3.655 5.796 -8.758 17 2HB ASP 4 2HB ASP 4 -3.941 4.638 -7.459 18 H GLY 5 H GLY 5 -1.755 4.534 -5.349 19 1HA GLY 5 1HA GLY 5 -2.002 3.803 -3.163 20 2HA GLY 5 2HA GLY 5 -3.522 4.692 -3.088 21 H GLY 6 H GLY 6 -0.102 5.740 -3.447 22 1HA GLY 6 1HA GLY 6 -0.394 7.555 -1.067 23 2HA GLY 6 2HA GLY 6 0.623 7.892 -2.472 24 H VAL 7 H VAL 7 1.802 8.152 -0.165 25 HA VAL 7 HA VAL 7 3.896 6.139 0.024 26 HB VAL 7 HB VAL 7 3.267 8.420 1.951 27 1HG1 VAL 7 1HG1 VAL 7 5.781 6.714 1.574 28 2HG1 VAL 7 2HG1 VAL 7 5.652 8.145 2.619 29 3HG1 VAL 7 3HG1 VAL 7 4.718 6.699 2.998 30 1HG2 VAL 7 1HG2 VAL 7 5.226 8.255 -0.384 31 2HG2 VAL 7 2HG2 VAL 7 3.778 9.284 -0.301 32 3HG2 VAL 7 3HG2 VAL 7 5.129 9.582 0.794 33 H CYS 8 H CYS 8 3.245 4.150 0.643 34 HA CYS 8 HA CYS 8 1.584 3.800 3.056 35 1HB CYS 8 1HB CYS 8 1.332 2.332 1.013 36 2HB CYS 8 2HB CYS 8 2.950 1.712 1.349 37 HA PRO 9 HA PRO 9 5.490 3.302 5.453 38 1HB PRO 9 1HB PRO 9 4.346 2.549 7.846 39 2HB PRO 9 2HB PRO 9 4.500 4.237 7.283 40 1HG PRO 9 1HG PRO 9 2.088 2.421 7.082 41 2HG PRO 9 2HG PRO 9 2.151 4.134 7.604 42 1HD PRO 9 1HD PRO 9 1.424 3.412 5.088 43 2HD PRO 9 2HD PRO 9 2.390 4.897 5.356 44 H LYS 10 H LYS 10 6.181 1.650 4.207 45 HA LYS 10 HA LYS 10 5.058 -0.748 3.555 46 1HB LYS 10 1HB LYS 10 8.037 -0.145 3.791 47 2HB LYS 10 2HB LYS 10 7.333 -1.486 2.878 48 1HG LYS 10 1HG LYS 10 6.116 0.138 1.428 49 2HG LYS 10 2HG LYS 10 6.875 1.475 2.316 50 1HD LYS 10 1HD LYS 10 9.121 0.628 1.668 51 2HD LYS 10 2HD LYS 10 8.346 -0.653 0.707 52 1HE LYS 10 1HE LYS 10 7.208 1.067 -0.670 53 2HE LYS 10 2HE LYS 10 7.929 2.348 0.313 54 1HZ LYS 10 1HZ LYS 10 9.467 0.416 -1.345 55 2HZ LYS 10 2HZ LYS 10 9.201 1.981 -1.725 56 3HZ LYS 10 3HZ LYS 10 10.126 1.605 -0.435 57 H ILE 11 H ILE 11 4.930 -2.709 4.174 58 HA ILE 11 HA ILE 11 6.449 -3.877 6.433 59 HB ILE 11 HB ILE 11 4.361 -4.964 7.292 60 1HG1 ILE 11 1HG1 ILE 11 2.871 -2.858 5.648 61 2HG1 ILE 11 2HG1 ILE 11 2.889 -4.590 5.316 62 1HG2 ILE 11 1HG2 ILE 11 5.481 -2.996 8.371 63 2HG2 ILE 11 2HG2 ILE 11 4.318 -1.933 7.550 64 3HG2 ILE 11 3HG2 ILE 11 3.761 -3.130 8.735 65 1HD1 ILE 11 1HD1 ILE 11 1.852 -4.975 7.591 66 2HD1 ILE 11 2HD1 ILE 11 1.655 -3.210 7.723 67 3HD1 ILE 11 3HD1 ILE 11 0.839 -4.096 6.426 68 H LEU 12 H LEU 12 6.701 -6.119 6.306 69 HA LEU 12 HA LEU 12 6.423 -7.299 3.617 70 1HB LEU 12 1HB LEU 12 7.802 -8.199 6.174 71 2HB LEU 12 2HB LEU 12 7.667 -9.229 4.762 72 HG LEU 12 HG LEU 12 9.832 -8.267 4.839 73 1HD1 LEU 12 1HD1 LEU 12 8.780 -8.700 2.625 74 2HD1 LEU 12 2HD1 LEU 12 8.319 -6.983 2.534 75 3HD1 LEU 12 3HD1 LEU 12 10.029 -7.442 2.589 76 1HD2 LEU 12 1HD2 LEU 12 9.314 -6.125 6.004 77 2HD2 LEU 12 2HD2 LEU 12 10.366 -5.948 4.589 78 3HD2 LEU 12 3HD2 LEU 12 8.659 -5.489 4.471 79 H LYS 13 H LYS 13 3.978 -6.801 4.584 80 HA LYS 13 HA LYS 13 2.706 -9.275 5.605 81 1HB LYS 13 1HB LYS 13 1.962 -6.970 6.260 82 2HB LYS 13 2HB LYS 13 1.412 -6.698 4.596 83 1HG LYS 13 1HG LYS 13 -0.145 -8.620 4.809 84 2HG LYS 13 2HG LYS 13 0.470 -8.940 6.444 85 1HD LYS 13 1HD LYS 13 -0.277 -6.595 7.083 86 2HD LYS 13 2HD LYS 13 -1.082 -6.481 5.512 87 1HE LYS 13 1HE LYS 13 -1.615 -8.585 7.670 88 2HE LYS 13 2HE LYS 13 -2.601 -7.148 7.381 89 1HZ LYS 13 1HZ LYS 13 -3.077 -7.989 5.155 90 2HZ LYS 13 2HZ LYS 13 -2.205 -9.354 5.431 91 3HZ LYS 13 3HZ LYS 13 -3.568 -9.066 6.290 92 H LYS 14 H LYS 14 2.373 -10.927 4.250 93 HA LYS 14 HA LYS 14 2.373 -10.795 1.363 94 1HB LYS 14 1HB LYS 14 1.416 -12.938 3.313 95 2HB LYS 14 2HB LYS 14 1.394 -13.116 1.552 96 1HG LYS 14 1HG LYS 14 3.834 -12.749 1.456 97 2HG LYS 14 2HG LYS 14 3.887 -12.624 3.230 98 1HD LYS 14 1HD LYS 14 3.019 -14.938 3.420 99 2HD LYS 14 2HD LYS 14 2.951 -15.060 1.646 100 1HE LYS 14 1HE LYS 14 5.402 -14.654 1.532 101 2HE LYS 14 2HE LYS 14 5.467 -14.545 3.294 102 1HZ LYS 14 1HZ LYS 14 4.644 -16.960 1.769 103 2HZ LYS 14 2HZ LYS 14 6.078 -16.764 2.519 104 3HZ LYS 14 3HZ LYS 14 4.707 -16.861 3.399 105 H CYS 15 H CYS 15 0.742 -10.839 -0.021 106 HA CYS 15 HA CYS 15 -2.116 -10.780 0.895 107 1HB CYS 15 1HB CYS 15 -2.576 -8.751 -0.382 108 2HB CYS 15 2HB CYS 15 -1.354 -8.461 0.829 109 H ARG 16 H ARG 16 -3.683 -10.961 -0.770 110 HA ARG 16 HA ARG 16 -2.840 -12.087 -3.451 111 1HB ARG 16 1HB ARG 16 -5.305 -12.787 -1.804 112 2HB ARG 16 2HB ARG 16 -4.941 -13.411 -3.403 113 1HG ARG 16 1HG ARG 16 -3.313 -14.014 -0.892 114 2HG ARG 16 2HG ARG 16 -4.582 -15.018 -1.575 115 1HD ARG 16 1HD ARG 16 -2.640 -16.032 -2.333 116 2HD ARG 16 2HD ARG 16 -3.208 -15.118 -3.742 117 HE ARG 16 HE ARG 16 -1.464 -13.396 -2.387 118 1HH1 ARG 16 1HH1 ARG 16 0.593 -13.106 -2.596 119 2HH1 ARG 16 2HH1 ARG 16 1.621 -14.319 -3.348 120 1HH2 ARG 16 1HH2 ARG 16 -0.983 -16.519 -3.886 121 2HH2 ARG 16 2HH2 ARG 16 0.730 -16.231 -4.077 122 H ARG 17 H ARG 17 -4.579 -9.701 -1.780 123 HA ARG 17 HA ARG 17 -5.733 -8.459 -4.218 124 1HB ARG 17 1HB ARG 17 -7.952 -8.204 -3.057 125 2HB ARG 17 2HB ARG 17 -7.569 -9.887 -3.442 126 1HG ARG 17 1HG ARG 17 -6.868 -10.315 -1.142 127 2HG ARG 17 2HG ARG 17 -7.082 -8.609 -0.717 128 1HD ARG 17 1HD ARG 17 -9.520 -8.855 -1.108 129 2HD ARG 17 2HD ARG 17 -9.261 -10.585 -1.451 130 HE ARG 17 HE ARG 17 -7.954 -10.039 0.995 131 1HH1 ARG 17 1HH1 ARG 17 -8.656 -10.428 2.926 132 2HH1 ARG 17 2HH1 ARG 17 -10.363 -10.610 3.280 133 1HH2 ARG 17 1HH2 ARG 17 -11.314 -10.072 -0.003 134 2HH2 ARG 17 2HH2 ARG 17 -11.859 -10.402 1.625 135 H ASP 18 H ASP 18 -6.492 -6.205 -3.721 136 HA ASP 18 HA ASP 18 -4.460 -4.847 -2.154 137 1HB ASP 18 1HB ASP 18 -7.017 -3.672 -3.298 138 2HB ASP 18 2HB ASP 18 -5.563 -2.793 -2.790 139 H SER 19 H SER 19 -7.639 -5.981 -1.368 140 HA SER 19 HA SER 19 -8.238 -4.329 0.912 141 1HB SER 19 1HB SER 19 -9.148 -7.185 0.423 142 2HB SER 19 2HB SER 19 -9.952 -5.961 1.411 143 HG SER 19 HG SER 19 -10.317 -4.753 -0.519 144 H ASP 20 H ASP 20 -6.008 -6.910 0.506 145 HA ASP 20 HA ASP 20 -5.817 -7.808 3.295 146 1HB ASP 20 1HB ASP 20 -4.072 -8.041 0.841 147 2HB ASP 20 2HB ASP 20 -3.618 -8.805 2.322 148 H CYS 21 H CYS 21 -4.799 -4.944 1.719 149 HA CYS 21 HA CYS 21 -2.363 -4.658 3.401 150 1HB CYS 21 1HB CYS 21 -3.173 -3.414 0.750 151 2HB CYS 21 2HB CYS 21 -1.663 -3.094 1.594 152 HA PRO 22 HA PRO 22 -3.636 -0.875 5.459 153 1HB PRO 22 1HB PRO 22 -1.088 0.316 4.371 154 2HB PRO 22 2HB PRO 22 -1.726 0.367 6.041 155 1HG PRO 22 1HG PRO 22 0.277 -1.340 5.392 156 2HG PRO 22 2HG PRO 22 -1.072 -1.892 6.440 157 1HD PRO 22 1HD PRO 22 -0.665 -2.378 3.487 158 2HD PRO 22 2HD PRO 22 -1.205 -3.509 4.763 159 H GLY 23 H GLY 23 -4.083 1.433 5.074 160 1HA GLY 23 1HA GLY 23 -4.956 3.218 3.908 161 2HA GLY 23 2HA GLY 23 -5.792 1.940 3.018 162 H ALA 24 H ALA 24 -2.530 3.380 3.071 163 HA ALA 24 HA ALA 24 -2.761 4.348 0.311 164 1HB ALA 24 1HB ALA 24 -0.441 4.452 2.278 165 2HB ALA 24 2HB ALA 24 -0.560 5.351 0.747 166 3HB ALA 24 3HB ALA 24 -1.693 5.696 2.063 167 H CYS 25 H CYS 25 -1.694 1.374 1.627 168 HA CYS 25 HA CYS 25 0.209 0.704 -0.510 169 1HB CYS 25 1HB CYS 25 -1.089 -0.841 1.746 170 2HB CYS 25 2HB CYS 25 -0.284 -1.666 0.435 171 H ILE 26 H ILE 26 -0.123 -1.113 -1.809 172 HA ILE 26 HA ILE 26 -2.842 -2.069 -2.537 173 HB ILE 26 HB ILE 26 -2.088 -2.221 -4.910 174 1HG1 ILE 26 1HG1 ILE 26 0.050 -0.162 -4.360 175 2HG1 ILE 26 2HG1 ILE 26 0.434 -1.863 -4.210 176 1HG2 ILE 26 1HG2 ILE 26 -3.597 -0.415 -4.148 177 2HG2 ILE 26 2HG2 ILE 26 -2.198 0.639 -3.858 178 3HG2 ILE 26 3HG2 ILE 26 -2.586 0.101 -5.504 179 1HD1 ILE 26 1HD1 ILE 26 -0.801 -0.749 -6.748 180 2HD1 ILE 26 2HD1 ILE 26 0.939 -0.848 -6.465 181 3HD1 ILE 26 3HD1 ILE 26 -0.017 -2.342 -6.484 182 H CYS 27 H CYS 27 -2.553 -4.224 -3.746 183 HA CYS 27 HA CYS 27 -0.412 -5.817 -2.451 184 1HB CYS 27 1HB CYS 27 -2.737 -6.609 -2.502 185 2HB CYS 27 2HB CYS 27 -2.660 -6.739 -4.266 186 H ARG 28 H ARG 28 1.482 -5.577 -3.355 187 HA ARG 28 HA ARG 28 1.950 -4.737 -6.099 188 1HB ARG 28 1HB ARG 28 3.417 -4.928 -3.553 189 2HB ARG 28 2HB ARG 28 4.359 -5.701 -4.805 190 1HG ARG 28 1HG ARG 28 4.951 -3.363 -4.456 191 2HG ARG 28 2HG ARG 28 4.411 -3.676 -6.115 192 1HD ARG 28 1HD ARG 28 2.172 -2.723 -5.512 193 2HD ARG 28 2HD ARG 28 2.750 -2.435 -3.874 194 HE ARG 28 HE ARG 28 3.677 -0.459 -4.622 195 1HH1 ARG 28 1HH1 ARG 28 4.206 1.117 -5.905 196 2HH1 ARG 28 2HH1 ARG 28 4.371 0.888 -7.641 197 1HH2 ARG 28 1HH2 ARG 28 3.362 -2.400 -7.541 198 2HH2 ARG 28 2HH2 ARG 28 3.860 -1.060 -8.537 199 H GLY 29 H GLY 29 3.655 -5.909 -7.340 200 1HA GLY 29 1HA GLY 29 3.887 -7.583 -8.954 201 2HA GLY 29 2HA GLY 29 2.444 -8.356 -8.299 202 H ASN 30 H ASN 30 4.941 -7.828 -6.037 203 HA ASN 30 HA ASN 30 6.287 -10.429 -6.302 204 1HB ASN 30 1HB ASN 30 7.599 -9.734 -4.430 205 2HB ASN 30 2HB ASN 30 7.458 -8.365 -5.530 206 2HD2 ASN 30 2HD2 ASN 30 8.281 -7.923 -2.925 207 1HD2 ASN 30 1HD2 ASN 30 6.972 -7.113 -2.071 208 H GLY 31 H GLY 31 3.283 -9.553 -4.998 209 1HA GLY 31 1HA GLY 31 3.041 -12.126 -3.534 210 2HA GLY 31 2HA GLY 31 1.733 -11.050 -4.019 211 H TYR 32 H TYR 32 3.573 -8.817 -2.717 212 HA TYR 32 HA TYR 32 2.477 -9.087 0.048 213 1HB TYR 32 1HB TYR 32 5.159 -8.021 -0.830 214 2HB TYR 32 2HB TYR 32 4.531 -7.839 0.787 215 HD1 TYR 32 HD1 TYR 32 5.763 -10.378 -1.681 216 HD2 TYR 32 HD2 TYR 32 4.905 -9.458 2.429 217 HE1 TYR 32 HE1 TYR 32 7.070 -12.377 -0.959 218 HE2 TYR 32 HE2 TYR 32 6.285 -11.390 3.167 219 HH TYR 32 HH TYR 32 7.687 -13.089 2.490 220 H CYS 33 H CYS 33 2.353 -6.943 1.141 221 HA CYS 33 HA CYS 33 1.089 -4.963 -0.561 222 1HB CYS 33 1HB CYS 33 1.920 -4.899 2.369 223 2HB CYS 33 2HB CYS 33 0.842 -3.737 1.597 224 H GLY 34 H GLY 34 1.660 -2.801 -0.934 225 1HA GLY 34 1HA GLY 34 4.342 -2.066 -1.470 226 2HA GLY 34 2HA GLY 34 3.961 -1.506 0.164 No H/Q in entry = 226 Start of MODEL 17 1 H SER 1 H SER 1 3.973 0.762 -0.826 2 HA SER 1 HA SER 1 1.544 2.072 -1.007 3 1HB SER 1 1HB SER 1 4.273 3.089 -1.857 4 2HB SER 1 2HB SER 1 2.841 4.091 -1.545 5 HG SER 1 HG SER 1 4.151 3.955 0.306 6 H GLY 2 H GLY 2 0.069 2.328 -2.661 7 1HA GLY 2 1HA GLY 2 -0.744 1.707 -4.801 8 2HA GLY 2 2HA GLY 2 0.883 1.659 -5.438 9 H SER 3 H SER 3 0.107 4.578 -3.702 10 HA SER 3 HA SER 3 0.399 6.125 -6.165 11 1HB SER 3 1HB SER 3 -1.666 7.354 -6.051 12 2HB SER 3 2HB SER 3 -2.063 5.637 -6.124 13 HG SER 3 HG SER 3 -2.440 5.665 -3.890 14 H ASP 4 H ASP 4 0.333 8.495 -5.753 15 HA ASP 4 HA ASP 4 1.706 9.310 -3.280 16 1HB ASP 4 1HB ASP 4 0.770 10.852 -5.735 17 2HB ASP 4 2HB ASP 4 1.707 11.541 -4.412 18 H GLY 5 H GLY 5 -1.524 8.775 -3.949 19 1HA GLY 5 1HA GLY 5 -3.558 9.632 -3.298 20 2HA GLY 5 2HA GLY 5 -2.786 11.168 -2.918 21 H GLY 6 H GLY 6 -1.085 8.992 -1.147 22 1HA GLY 6 1HA GLY 6 -2.712 8.113 0.994 23 2HA GLY 6 2HA GLY 6 -2.109 9.723 1.410 24 H VAL 7 H VAL 7 -1.467 7.410 2.858 25 HA VAL 7 HA VAL 7 1.412 6.885 2.242 26 HB VAL 7 HB VAL 7 1.187 8.616 3.993 27 1HG1 VAL 7 1HG1 VAL 7 -0.901 7.879 5.097 28 2HG1 VAL 7 2HG1 VAL 7 -0.052 6.461 5.751 29 3HG1 VAL 7 3HG1 VAL 7 0.430 8.096 6.240 30 1HG2 VAL 7 1HG2 VAL 7 3.155 7.092 3.925 31 2HG2 VAL 7 2HG2 VAL 7 2.792 7.748 5.528 32 3HG2 VAL 7 3HG2 VAL 7 2.368 6.071 5.157 33 H CYS 8 H CYS 8 2.249 4.926 2.924 34 HA CYS 8 HA CYS 8 0.473 3.067 4.333 35 1HB CYS 8 1HB CYS 8 0.236 2.356 1.975 36 2HB CYS 8 2HB CYS 8 1.984 2.252 1.817 37 HA PRO 9 HA PRO 9 4.418 2.600 6.524 38 1HB PRO 9 1HB PRO 9 3.726 0.524 8.214 39 2HB PRO 9 2HB PRO 9 3.245 2.229 8.436 40 1HG PRO 9 1HG PRO 9 1.648 -0.002 7.147 41 2HG PRO 9 2HG PRO 9 1.111 1.164 8.402 42 1HD PRO 9 1HD PRO 9 0.548 1.554 5.792 43 2HD PRO 9 2HD PRO 9 1.015 2.951 6.807 44 H LYS 10 H LYS 10 3.269 0.512 4.204 45 HA LYS 10 HA LYS 10 4.055 -1.311 3.018 46 1HB LYS 10 1HB LYS 10 6.618 0.218 3.552 47 2HB LYS 10 2HB LYS 10 6.442 -1.060 2.343 48 1HG LYS 10 1HG LYS 10 4.714 0.205 1.166 49 2HG LYS 10 2HG LYS 10 4.799 1.509 2.344 50 1HD LYS 10 1HD LYS 10 7.173 0.616 0.653 51 2HD LYS 10 2HD LYS 10 6.059 1.907 0.188 52 1HE LYS 10 1HE LYS 10 6.586 3.134 2.286 53 2HE LYS 10 2HE LYS 10 7.743 1.873 2.729 54 1HZ LYS 10 1HZ LYS 10 7.942 3.586 0.309 55 2HZ LYS 10 2HZ LYS 10 8.852 3.741 1.654 56 3HZ LYS 10 3HZ LYS 10 9.009 2.415 0.716 57 H ILE 11 H ILE 11 3.350 -2.537 4.973 58 HA ILE 11 HA ILE 11 5.369 -3.834 6.606 59 HB ILE 11 HB ILE 11 3.437 -5.139 7.467 60 1HG1 ILE 11 1HG1 ILE 11 1.695 -3.457 5.595 61 2HG1 ILE 11 2HG1 ILE 11 2.065 -5.162 5.357 62 1HG2 ILE 11 1HG2 ILE 11 4.147 -2.934 8.401 63 2HG2 ILE 11 2HG2 ILE 11 2.928 -2.134 7.390 64 3HG2 ILE 11 3HG2 ILE 11 2.436 -3.272 8.659 65 1HD1 ILE 11 1HD1 ILE 11 0.994 -5.647 7.598 66 2HD1 ILE 11 2HD1 ILE 11 0.460 -3.951 7.634 67 3HD1 ILE 11 3HD1 ILE 11 -0.103 -5.030 6.348 68 H LEU 12 H LEU 12 5.739 -6.022 6.719 69 HA LEU 12 HA LEU 12 6.145 -7.384 4.150 70 1HB LEU 12 1HB LEU 12 6.907 -8.166 6.995 71 2HB LEU 12 2HB LEU 12 7.293 -9.111 5.568 72 HG LEU 12 HG LEU 12 9.226 -7.965 6.226 73 1HD1 LEU 12 1HD1 LEU 12 8.816 -8.208 3.787 74 2HD1 LEU 12 2HD1 LEU 12 8.190 -6.542 3.747 75 3HD1 LEU 12 3HD1 LEU 12 9.878 -6.848 4.194 76 1HD2 LEU 12 1HD2 LEU 12 8.188 -6.029 7.418 77 2HD2 LEU 12 2HD2 LEU 12 9.557 -5.615 6.375 78 3HD2 LEU 12 3HD2 LEU 12 7.913 -5.258 5.833 79 H LYS 13 H LYS 13 3.378 -7.134 5.431 80 HA LYS 13 HA LYS 13 2.318 -9.823 5.737 81 1HB LYS 13 1HB LYS 13 1.228 -7.759 6.582 82 2HB LYS 13 2HB LYS 13 0.941 -7.227 4.913 83 1HG LYS 13 1HG LYS 13 -0.475 -9.230 4.529 84 2HG LYS 13 2HG LYS 13 -0.155 -9.774 6.190 85 1HD LYS 13 1HD LYS 13 -1.189 -7.654 7.042 86 2HD LYS 13 2HD LYS 13 -1.544 -7.186 5.365 87 1HE LYS 13 1HE LYS 13 -2.880 -9.291 5.106 88 2HE LYS 13 2HE LYS 13 -2.574 -9.671 6.810 89 1HZ LYS 13 1HZ LYS 13 -3.730 -7.589 7.391 90 2HZ LYS 13 2HZ LYS 13 -4.000 -7.273 5.799 91 3HZ LYS 13 3HZ LYS 13 -4.717 -8.560 6.520 92 H LYS 14 H LYS 14 2.467 -11.294 4.153 93 HA LYS 14 HA LYS 14 2.518 -10.697 1.307 94 1HB LYS 14 1HB LYS 14 1.970 -13.295 2.817 95 2HB LYS 14 2HB LYS 14 1.978 -13.141 1.053 96 1HG LYS 14 1HG LYS 14 4.321 -12.264 1.164 97 2HG LYS 14 2HG LYS 14 4.317 -12.568 2.912 98 1HD LYS 14 1HD LYS 14 5.445 -14.394 1.903 99 2HD LYS 14 2HD LYS 14 3.857 -15.014 2.390 100 1HE LYS 14 1HE LYS 14 3.045 -14.732 0.052 101 2HE LYS 14 2HE LYS 14 4.606 -14.046 -0.416 102 1HZ LYS 14 1HZ LYS 14 5.635 -16.185 0.141 103 2HZ LYS 14 2HZ LYS 14 4.192 -16.819 0.576 104 3HZ LYS 14 3HZ LYS 14 4.468 -16.405 -0.976 105 H CYS 15 H CYS 15 0.896 -10.760 -0.094 106 HA CYS 15 HA CYS 15 -1.957 -10.993 0.894 107 1HB CYS 15 1HB CYS 15 -2.493 -8.894 -0.284 108 2HB CYS 15 2HB CYS 15 -1.311 -8.674 0.971 109 H ARG 16 H ARG 16 -3.562 -10.838 -0.804 110 HA ARG 16 HA ARG 16 -2.787 -11.733 -3.550 111 1HB ARG 16 1HB ARG 16 -3.406 -13.726 -2.192 112 2HB ARG 16 2HB ARG 16 -4.996 -13.027 -1.891 113 1HG ARG 16 1HG ARG 16 -5.534 -13.153 -4.294 114 2HG ARG 16 2HG ARG 16 -3.884 -13.703 -4.653 115 1HD ARG 16 1HD ARG 16 -4.269 -15.731 -3.294 116 2HD ARG 16 2HD ARG 16 -5.913 -15.172 -2.917 117 HE ARG 16 HE ARG 16 -5.636 -15.219 -5.747 118 1HH1 ARG 16 1HH1 ARG 16 -6.445 -16.820 -7.025 119 2HH1 ARG 16 2HH1 ARG 16 -6.781 -18.390 -6.345 120 1HH2 ARG 16 1HH2 ARG 16 -5.776 -17.582 -3.168 121 2HH2 ARG 16 2HH2 ARG 16 -6.417 -18.819 -4.222 122 H ARG 17 H ARG 17 -4.721 -9.788 -1.500 123 HA ARG 17 HA ARG 17 -6.296 -8.609 -3.782 124 1HB ARG 17 1HB ARG 17 -7.047 -8.911 -0.823 125 2HB ARG 17 2HB ARG 17 -7.931 -7.969 -2.002 126 1HG ARG 17 1HG ARG 17 -9.119 -9.928 -1.588 127 2HG ARG 17 2HG ARG 17 -8.549 -9.952 -3.255 128 1HD ARG 17 1HD ARG 17 -8.508 -12.156 -2.157 129 2HD ARG 17 2HD ARG 17 -6.926 -11.674 -2.737 130 HE ARG 17 HE ARG 17 -6.473 -10.942 -0.286 131 1HH1 ARG 17 1HH1 ARG 17 -6.275 -11.775 1.659 132 2HH1 ARG 17 2HH1 ARG 17 -6.835 -13.405 2.003 133 1HH2 ARG 17 1HH2 ARG 17 -8.385 -13.789 -1.045 134 2HH2 ARG 17 2HH2 ARG 17 -8.040 -14.499 0.511 135 H ASP 18 H ASP 18 -6.578 -6.310 -3.650 136 HA ASP 18 HA ASP 18 -4.480 -4.808 -2.281 137 1HB ASP 18 1HB ASP 18 -7.070 -3.812 -3.520 138 2HB ASP 18 2HB ASP 18 -5.694 -2.813 -3.027 139 H SER 19 H SER 19 -7.681 -5.877 -1.347 140 HA SER 19 HA SER 19 -8.056 -4.113 0.921 141 1HB SER 19 1HB SER 19 -9.877 -5.670 1.501 142 2HB SER 19 2HB SER 19 -9.962 -5.111 -0.178 143 HG SER 19 HG SER 19 -10.301 -7.384 0.032 144 H ASP 20 H ASP 20 -6.071 -6.909 0.457 145 HA ASP 20 HA ASP 20 -5.832 -7.751 3.238 146 1HB ASP 20 1HB ASP 20 -3.948 -7.860 0.865 147 2HB ASP 20 2HB ASP 20 -3.502 -8.537 2.392 148 H CYS 21 H CYS 21 -4.704 -4.938 1.525 149 HA CYS 21 HA CYS 21 -2.487 -4.492 3.428 150 1HB CYS 21 1HB CYS 21 -3.112 -3.248 0.735 151 2HB CYS 21 2HB CYS 21 -1.643 -3.001 1.682 152 HA PRO 22 HA PRO 22 -4.420 -0.936 5.280 153 1HB PRO 22 1HB PRO 22 -2.334 0.210 6.581 154 2HB PRO 22 2HB PRO 22 -2.905 -1.436 6.989 155 1HG PRO 22 1HG PRO 22 -0.599 -0.667 5.173 156 2HG PRO 22 2HG PRO 22 -0.584 -1.834 6.530 157 1HD PRO 22 1HD PRO 22 -0.941 -2.607 3.922 158 2HD PRO 22 2HD PRO 22 -1.750 -3.444 5.284 159 H GLY 23 H GLY 23 -4.423 1.395 5.391 160 1HA GLY 23 1HA GLY 23 -2.816 3.321 4.364 161 2HA GLY 23 2HA GLY 23 -4.567 3.479 4.413 162 H ALA 24 H ALA 24 -1.967 3.767 2.477 163 HA ALA 24 HA ALA 24 -3.554 3.727 -0.031 164 1HB ALA 24 1HB ALA 24 -2.466 5.812 0.748 165 2HB ALA 24 2HB ALA 24 -1.882 5.290 -0.839 166 3HB ALA 24 3HB ALA 24 -0.875 5.023 0.598 167 H CYS 25 H CYS 25 -1.795 1.379 1.376 168 HA CYS 25 HA CYS 25 -0.071 0.593 -0.824 169 1HB CYS 25 1HB CYS 25 -1.099 -0.862 1.611 170 2HB CYS 25 2HB CYS 25 -0.354 -1.709 0.290 171 H ILE 26 H ILE 26 -0.283 -1.206 -2.031 172 HA ILE 26 HA ILE 26 -2.935 -2.359 -2.750 173 HB ILE 26 HB ILE 26 -2.061 -2.556 -5.096 174 1HG1 ILE 26 1HG1 ILE 26 -0.001 -0.448 -4.389 175 2HG1 ILE 26 2HG1 ILE 26 0.396 -2.156 -4.386 176 1HG2 ILE 26 1HG2 ILE 26 -3.706 -0.840 -4.465 177 2HG2 ILE 26 2HG2 ILE 26 -2.403 0.301 -4.090 178 3HG2 ILE 26 3HG2 ILE 26 -2.650 -0.260 -5.757 179 1HD1 ILE 26 1HD1 ILE 26 -0.696 -0.734 -6.832 180 2HD1 ILE 26 2HD1 ILE 26 1.015 -1.013 -6.490 181 3HD1 ILE 26 3HD1 ILE 26 -0.057 -2.408 -6.717 182 H CYS 27 H CYS 27 -2.536 -4.527 -3.851 183 HA CYS 27 HA CYS 27 -0.297 -5.958 -2.510 184 1HB CYS 27 1HB CYS 27 -2.601 -6.876 -2.524 185 2HB CYS 27 2HB CYS 27 -2.488 -7.107 -4.276 186 H ARG 28 H ARG 28 1.557 -5.670 -3.478 187 HA ARG 28 HA ARG 28 1.907 -4.800 -6.230 188 1HB ARG 28 1HB ARG 28 3.894 -5.739 -4.100 189 2HB ARG 28 2HB ARG 28 4.357 -4.944 -5.595 190 1HG ARG 28 1HG ARG 28 2.595 -3.657 -3.458 191 2HG ARG 28 2HG ARG 28 4.346 -3.500 -3.516 192 1HD ARG 28 1HD ARG 28 2.512 -2.673 -5.791 193 2HD ARG 28 2HD ARG 28 3.038 -1.577 -4.511 194 HE ARG 28 HE ARG 28 5.426 -2.199 -5.241 195 1HH1 ARG 28 1HH1 ARG 28 6.766 -1.740 -6.910 196 2HH1 ARG 28 2HH1 ARG 28 6.108 -1.444 -8.495 197 1HH2 ARG 28 1HH2 ARG 28 2.842 -1.917 -7.601 198 2HH2 ARG 28 2HH2 ARG 28 3.963 -1.548 -8.883 199 H GLY 29 H GLY 29 3.608 -5.906 -7.544 200 1HA GLY 29 1HA GLY 29 3.998 -7.616 -9.098 201 2HA GLY 29 2HA GLY 29 2.584 -8.452 -8.454 202 H ASN 30 H ASN 30 5.018 -7.695 -6.187 203 HA ASN 30 HA ASN 30 6.469 -10.258 -6.300 204 1HB ASN 30 1HB ASN 30 7.702 -9.385 -4.375 205 2HB ASN 30 2HB ASN 30 7.654 -8.224 -5.699 206 2HD2 ASN 30 2HD2 ASN 30 8.220 -6.560 -4.093 207 1HD2 ASN 30 1HD2 ASN 30 6.936 -5.952 -3.052 208 H GLY 31 H GLY 31 3.436 -9.429 -5.034 209 1HA GLY 31 1HA GLY 31 3.291 -11.961 -3.499 210 2HA GLY 31 2HA GLY 31 1.951 -10.940 -4.000 211 H TYR 32 H TYR 32 3.715 -8.623 -2.704 212 HA TYR 32 HA TYR 32 2.614 -8.934 0.068 213 1HB TYR 32 1HB TYR 32 5.203 -7.718 -0.863 214 2HB TYR 32 2HB TYR 32 4.590 -7.517 0.755 215 HD1 TYR 32 HD1 TYR 32 4.921 -9.140 2.429 216 HD2 TYR 32 HD2 TYR 32 6.074 -9.965 -1.629 217 HE1 TYR 32 HE1 TYR 32 6.502 -10.903 3.245 218 HE2 TYR 32 HE2 TYR 32 7.549 -11.812 -0.843 219 HH TYR 32 HH TYR 32 8.429 -12.898 0.970 220 H CYS 33 H CYS 33 2.323 -6.845 1.169 221 HA CYS 33 HA CYS 33 0.947 -4.901 -0.446 222 1HB CYS 33 1HB CYS 33 1.894 -4.882 2.447 223 2HB CYS 33 2HB CYS 33 0.823 -3.669 1.742 224 H GLY 34 H GLY 34 1.547 -2.861 -1.143 225 1HA GLY 34 1HA GLY 34 4.126 -1.995 -1.731 226 2HA GLY 34 2HA GLY 34 3.849 -1.446 -0.078 No H/Q in entry = 226 Start of MODEL 18 1 H SER 1 H SER 1 4.135 0.684 -0.726 2 HA SER 1 HA SER 1 1.605 1.941 -0.742 3 1HB SER 1 1HB SER 1 3.727 2.909 0.116 4 2HB SER 1 2HB SER 1 4.203 3.256 -1.563 5 HG SER 1 HG SER 1 3.127 5.042 -0.609 6 H GLY 2 H GLY 2 0.178 2.443 -2.303 7 1HA GLY 2 1HA GLY 2 -0.592 1.810 -4.548 8 2HA GLY 2 2HA GLY 2 0.954 2.301 -5.208 9 H SER 3 H SER 3 -1.649 3.668 -3.146 10 HA SER 3 HA SER 3 -2.379 5.706 -5.051 11 1HB SER 3 1HB SER 3 -3.202 5.352 -2.147 12 2HB SER 3 2HB SER 3 -3.943 6.465 -3.313 13 HG SER 3 HG SER 3 -5.082 4.478 -3.187 14 H ASP 4 H ASP 4 -0.869 7.211 -5.494 15 HA ASP 4 HA ASP 4 1.035 8.376 -3.822 16 1HB ASP 4 1HB ASP 4 0.990 8.399 -6.300 17 2HB ASP 4 2HB ASP 4 -0.324 9.573 -6.265 18 H GLY 5 H GLY 5 -2.336 9.233 -3.963 19 1HA GLY 5 1HA GLY 5 -3.600 10.913 -2.959 20 2HA GLY 5 2HA GLY 5 -2.141 11.856 -2.691 21 H GLY 6 H GLY 6 -1.555 8.849 -1.347 22 1HA GLY 6 1HA GLY 6 -2.764 8.148 0.848 23 2HA GLY 6 2HA GLY 6 -2.253 9.737 1.420 24 H VAL 7 H VAL 7 -1.521 7.460 2.741 25 HA VAL 7 HA VAL 7 1.338 6.939 2.111 26 HB VAL 7 HB VAL 7 1.204 8.813 3.724 27 1HG1 VAL 7 1HG1 VAL 7 -0.843 8.186 4.970 28 2HG1 VAL 7 2HG1 VAL 7 0.024 6.815 5.698 29 3HG1 VAL 7 3HG1 VAL 7 0.535 8.479 6.037 30 1HG2 VAL 7 1HG2 VAL 7 3.154 7.270 3.694 31 2HG2 VAL 7 2HG2 VAL 7 2.864 8.043 5.259 32 3HG2 VAL 7 3HG2 VAL 7 2.410 6.350 5.028 33 H CYS 8 H CYS 8 2.180 5.014 2.953 34 HA CYS 8 HA CYS 8 0.337 3.210 4.403 35 1HB CYS 8 1HB CYS 8 0.265 2.434 2.048 36 2HB CYS 8 2HB CYS 8 2.024 2.350 2.027 37 HA PRO 9 HA PRO 9 4.040 2.735 7.021 38 1HB PRO 9 1HB PRO 9 2.494 0.210 7.653 39 2HB PRO 9 2HB PRO 9 3.388 1.287 8.775 40 1HG PRO 9 1HG PRO 9 0.707 1.495 8.569 41 2HG PRO 9 2HG PRO 9 1.707 2.987 8.573 42 1HD PRO 9 1HD PRO 9 0.460 1.564 6.213 43 2HD PRO 9 2HD PRO 9 0.571 3.322 6.560 44 H LYS 10 H LYS 10 3.162 0.640 4.452 45 HA LYS 10 HA LYS 10 4.178 -1.046 3.240 46 1HB LYS 10 1HB LYS 10 6.520 0.748 3.925 47 2HB LYS 10 2HB LYS 10 6.613 -0.554 2.738 48 1HG LYS 10 1HG LYS 10 5.023 0.424 1.294 49 2HG LYS 10 2HG LYS 10 4.497 1.615 2.480 50 1HD LYS 10 1HD LYS 10 7.324 1.533 1.344 51 2HD LYS 10 2HD LYS 10 6.013 2.497 0.651 52 1HE LYS 10 1HE LYS 10 5.714 3.676 2.822 53 2HE LYS 10 2HE LYS 10 7.049 2.748 3.510 54 1HZ LYS 10 1HZ LYS 10 8.524 3.748 1.846 55 2HZ LYS 10 2HZ LYS 10 7.292 4.616 1.211 56 3HZ LYS 10 3HZ LYS 10 7.804 4.913 2.730 57 H ILE 11 H ILE 11 3.493 -2.307 5.218 58 HA ILE 11 HA ILE 11 5.592 -3.628 6.760 59 HB ILE 11 HB ILE 11 3.694 -5.024 7.592 60 1HG1 ILE 11 1HG1 ILE 11 1.905 -3.221 5.884 61 2HG1 ILE 11 2HG1 ILE 11 2.242 -4.919 5.557 62 1HG2 ILE 11 1HG2 ILE 11 4.444 -2.896 8.661 63 2HG2 ILE 11 2HG2 ILE 11 3.188 -2.025 7.758 64 3HG2 ILE 11 3HG2 ILE 11 2.743 -3.255 8.957 65 1HD1 ILE 11 1HD1 ILE 11 1.229 -5.484 7.811 66 2HD1 ILE 11 2HD1 ILE 11 0.721 -3.784 7.930 67 3HD1 ILE 11 3HD1 ILE 11 0.104 -4.799 6.618 68 H LEU 12 H LEU 12 5.944 -5.844 6.752 69 HA LEU 12 HA LEU 12 6.290 -7.061 4.096 70 1HB LEU 12 1HB LEU 12 7.034 -8.123 6.845 71 2HB LEU 12 2HB LEU 12 7.542 -8.803 5.296 72 HG LEU 12 HG LEU 12 8.317 -6.037 6.332 73 1HD1 LEU 12 1HD1 LEU 12 9.361 -7.889 7.581 74 2HD1 LEU 12 2HD1 LEU 12 9.933 -8.605 6.056 75 3HD1 LEU 12 3HD1 LEU 12 10.548 -7.024 6.593 76 1HD2 LEU 12 1HD2 LEU 12 9.206 -7.570 3.843 77 2HD2 LEU 12 2HD2 LEU 12 8.283 -6.049 3.874 78 3HD2 LEU 12 3HD2 LEU 12 9.951 -6.074 4.451 79 H LYS 13 H LYS 13 3.537 -6.850 5.329 80 HA LYS 13 HA LYS 13 2.488 -9.526 5.725 81 1HB LYS 13 1HB LYS 13 1.409 -7.428 6.506 82 2HB LYS 13 2HB LYS 13 1.076 -6.974 4.825 83 1HG LYS 13 1HG LYS 13 -0.328 -9.010 4.568 84 2HG LYS 13 2HG LYS 13 0.050 -9.478 6.241 85 1HD LYS 13 1HD LYS 13 -0.998 -7.331 7.026 86 2HD LYS 13 2HD LYS 13 -1.426 -6.964 5.340 87 1HE LYS 13 1HE LYS 13 -2.692 -9.142 5.255 88 2HE LYS 13 2HE LYS 13 -2.337 -9.379 6.975 89 1HZ LYS 13 1HZ LYS 13 -3.543 -7.282 7.411 90 2HZ LYS 13 2HZ LYS 13 -3.871 -7.124 5.807 91 3HZ LYS 13 3HZ LYS 13 -4.518 -8.363 6.665 92 H LYS 14 H LYS 14 2.490 -11.071 4.213 93 HA LYS 14 HA LYS 14 2.560 -10.586 1.350 94 1HB LYS 14 1HB LYS 14 2.052 -13.100 3.002 95 2HB LYS 14 2HB LYS 14 1.907 -13.052 1.242 96 1HG LYS 14 1HG LYS 14 4.274 -12.039 1.215 97 2HG LYS 14 2HG LYS 14 4.389 -12.529 2.907 98 1HD LYS 14 1HD LYS 14 5.443 -14.195 1.505 99 2HD LYS 14 2HD LYS 14 3.995 -14.890 2.224 100 1HE LYS 14 1HE LYS 14 4.279 -15.545 -0.139 101 2HE LYS 14 2HE LYS 14 2.768 -14.675 0.126 102 1HZ LYS 14 1HZ LYS 14 5.232 -13.407 -0.951 103 2HZ LYS 14 2HZ LYS 14 3.996 -13.939 -1.875 104 3HZ LYS 14 3HZ LYS 14 3.751 -12.703 -0.834 105 H CYS 15 H CYS 15 0.942 -10.767 -0.072 106 HA CYS 15 HA CYS 15 -1.908 -10.942 0.904 107 1HB CYS 15 1HB CYS 15 -2.465 -8.888 -0.327 108 2HB CYS 15 2HB CYS 15 -1.272 -8.609 0.904 109 H ARG 16 H ARG 16 -3.480 -10.815 -0.816 110 HA ARG 16 HA ARG 16 -2.795 -12.236 -3.377 111 1HB ARG 16 1HB ARG 16 -5.429 -12.514 -1.878 112 2HB ARG 16 2HB ARG 16 -4.879 -13.396 -3.279 113 1HG ARG 16 1HG ARG 16 -4.781 -14.923 -1.537 114 2HG ARG 16 2HG ARG 16 -3.106 -14.494 -1.847 115 1HD ARG 16 1HD ARG 16 -3.768 -14.762 0.589 116 2HD ARG 16 2HD ARG 16 -2.948 -13.273 0.205 117 HE ARG 16 HE ARG 16 -4.904 -12.018 0.602 118 1HH1 ARG 16 1HH1 ARG 16 -6.722 -11.627 1.654 119 2HH1 ARG 16 2HH1 ARG 16 -7.868 -12.919 1.978 120 1HH2 ARG 16 1HH2 ARG 16 -5.822 -15.404 0.760 121 2HH2 ARG 16 2HH2 ARG 16 -7.350 -15.018 1.506 122 H ARG 17 H ARG 17 -4.566 -9.713 -1.734 123 HA ARG 17 HA ARG 17 -5.376 -8.399 -4.274 124 1HB ARG 17 1HB ARG 17 -7.717 -8.088 -3.347 125 2HB ARG 17 2HB ARG 17 -7.335 -9.709 -3.915 126 1HG ARG 17 1HG ARG 17 -7.249 -10.620 -1.742 127 2HG ARG 17 2HG ARG 17 -7.008 -9.048 -0.974 128 1HD ARG 17 1HD ARG 17 -9.273 -10.021 -0.602 129 2HD ARG 17 2HD ARG 17 -9.238 -8.399 -1.275 130 HE ARG 17 HE ARG 17 -9.772 -10.848 -2.919 131 1HH1 ARG 17 1HH1 ARG 17 -11.283 -10.694 -4.506 132 2HH1 ARG 17 2HH1 ARG 17 -12.136 -9.198 -4.759 133 1HH2 ARG 17 1HH2 ARG 17 -10.566 -7.459 -2.252 134 2HH2 ARG 17 2HH2 ARG 17 -11.744 -7.439 -3.535 135 H ASP 18 H ASP 18 -6.312 -6.210 -3.848 136 HA ASP 18 HA ASP 18 -4.416 -4.762 -2.225 137 1HB ASP 18 1HB ASP 18 -6.983 -3.737 -3.489 138 2HB ASP 18 2HB ASP 18 -5.616 -2.761 -2.932 139 H SER 19 H SER 19 -7.582 -5.988 -1.539 140 HA SER 19 HA SER 19 -8.309 -4.330 0.696 141 1HB SER 19 1HB SER 19 -9.130 -7.221 0.470 142 2HB SER 19 2HB SER 19 -10.049 -5.853 1.092 143 HG SER 19 HG SER 19 -10.197 -5.063 -1.071 144 H ASP 20 H ASP 20 -5.979 -6.852 0.385 145 HA ASP 20 HA ASP 20 -5.842 -7.730 3.171 146 1HB ASP 20 1HB ASP 20 -3.916 -7.845 0.831 147 2HB ASP 20 2HB ASP 20 -3.569 -8.623 2.330 148 H CYS 21 H CYS 21 -4.773 -4.854 1.553 149 HA CYS 21 HA CYS 21 -2.520 -4.470 3.443 150 1HB CYS 21 1HB CYS 21 -3.104 -3.224 0.744 151 2HB CYS 21 2HB CYS 21 -1.643 -2.997 1.708 152 HA PRO 22 HA PRO 22 -4.484 -0.943 5.299 153 1HB PRO 22 1HB PRO 22 -2.423 0.188 6.655 154 2HB PRO 22 2HB PRO 22 -3.007 -1.462 7.031 155 1HG PRO 22 1HG PRO 22 -0.658 -0.678 5.274 156 2HG PRO 22 2HG PRO 22 -0.680 -1.863 6.618 157 1HD PRO 22 1HD PRO 22 -0.980 -2.606 3.997 158 2HD PRO 22 2HD PRO 22 -1.823 -3.453 5.327 159 H GLY 23 H GLY 23 -4.547 1.373 5.397 160 1HA GLY 23 1HA GLY 23 -2.923 3.336 4.455 161 2HA GLY 23 2HA GLY 23 -4.677 3.461 4.421 162 H ALA 24 H ALA 24 -2.001 3.821 2.604 163 HA ALA 24 HA ALA 24 -3.473 3.868 0.048 164 1HB ALA 24 1HB ALA 24 -2.184 5.819 0.836 165 2HB ALA 24 2HB ALA 24 -1.543 5.193 -0.692 166 3HB ALA 24 3HB ALA 24 -0.688 4.839 0.804 167 H CYS 25 H CYS 25 -1.751 1.415 1.531 168 HA CYS 25 HA CYS 25 -0.057 0.608 -0.659 169 1HB CYS 25 1HB CYS 25 -1.076 -0.863 1.770 170 2HB CYS 25 2HB CYS 25 -0.280 -1.678 0.456 171 H ILE 26 H ILE 26 -0.218 -1.140 -1.897 172 HA ILE 26 HA ILE 26 -2.852 -2.286 -2.711 173 HB ILE 26 HB ILE 26 -1.869 -2.434 -5.032 174 1HG1 ILE 26 1HG1 ILE 26 0.104 -0.290 -4.186 175 2HG1 ILE 26 2HG1 ILE 26 0.545 -1.987 -4.188 176 1HG2 ILE 26 1HG2 ILE 26 -3.575 -0.765 -4.431 177 2HG2 ILE 26 2HG2 ILE 26 -2.313 0.386 -3.957 178 3HG2 ILE 26 3HG2 ILE 26 -2.471 -0.123 -5.651 179 1HD1 ILE 26 1HD1 ILE 26 -0.474 -0.574 -6.671 180 2HD1 ILE 26 2HD1 ILE 26 1.226 -0.745 -6.236 181 3HD1 ILE 26 3HD1 ILE 26 0.258 -2.209 -6.538 182 H CYS 27 H CYS 27 -2.488 -4.420 -3.793 183 HA CYS 27 HA CYS 27 -0.293 -5.928 -2.467 184 1HB CYS 27 1HB CYS 27 -2.608 -6.795 -2.460 185 2HB CYS 27 2HB CYS 27 -2.549 -6.969 -4.224 186 H ARG 28 H ARG 28 1.566 -5.667 -3.440 187 HA ARG 28 HA ARG 28 1.940 -4.794 -6.180 188 1HB ARG 28 1HB ARG 28 3.900 -5.852 -4.084 189 2HB ARG 28 2HB ARG 28 4.382 -5.036 -5.562 190 1HG ARG 28 1HG ARG 28 2.722 -3.761 -3.335 191 2HG ARG 28 2HG ARG 28 4.469 -3.632 -3.479 192 1HD ARG 28 1HD ARG 28 2.511 -2.683 -5.599 193 2HD ARG 28 2HD ARG 28 3.194 -1.652 -4.346 194 HE ARG 28 HE ARG 28 5.457 -2.139 -5.264 195 1HH1 ARG 28 1HH1 ARG 28 6.703 -1.910 -7.046 196 2HH1 ARG 28 2HH1 ARG 28 5.979 -1.969 -8.628 197 1HH2 ARG 28 1HH2 ARG 28 2.781 -2.467 -7.521 198 2HH2 ARG 28 2HH2 ARG 28 3.839 -2.289 -8.895 199 H GLY 29 H GLY 29 3.622 -5.978 -7.498 200 1HA GLY 29 1HA GLY 29 3.884 -7.670 -9.097 201 2HA GLY 29 2HA GLY 29 2.408 -8.408 -8.479 202 H ASN 30 H ASN 30 4.903 -7.916 -6.206 203 HA ASN 30 HA ASN 30 6.097 -10.616 -6.376 204 1HB ASN 30 1HB ASN 30 7.500 -9.867 -4.525 205 2HB ASN 30 2HB ASN 30 7.511 -8.702 -5.846 206 2HD2 ASN 30 2HD2 ASN 30 8.422 -7.323 -4.006 207 1HD2 ASN 30 1HD2 ASN 30 7.214 -6.488 -3.034 208 H GLY 31 H GLY 31 3.186 -9.530 -5.090 209 1HA GLY 31 1HA GLY 31 2.799 -11.993 -3.540 210 2HA GLY 31 2HA GLY 31 1.609 -10.737 -3.859 211 H TYR 32 H TYR 32 3.397 -8.602 -2.773 212 HA TYR 32 HA TYR 32 2.684 -8.932 0.106 213 1HB TYR 32 1HB TYR 32 5.208 -7.785 -1.084 214 2HB TYR 32 2HB TYR 32 4.720 -7.462 0.556 215 HD1 TYR 32 HD1 TYR 32 5.034 -9.025 2.311 216 HD2 TYR 32 HD2 TYR 32 6.044 -10.060 -1.738 217 HE1 TYR 32 HE1 TYR 32 6.605 -10.763 3.166 218 HE2 TYR 32 HE2 TYR 32 7.529 -11.891 -0.898 219 HH TYR 32 HH TYR 32 8.057 -12.450 2.599 220 H CYS 33 H CYS 33 2.305 -6.913 1.200 221 HA CYS 33 HA CYS 33 0.958 -4.916 -0.385 222 1HB CYS 33 1HB CYS 33 1.869 -4.970 2.517 223 2HB CYS 33 2HB CYS 33 0.835 -3.718 1.825 224 H GLY 34 H GLY 34 1.580 -2.842 -0.992 225 1HA GLY 34 1HA GLY 34 4.163 -2.048 -1.623 226 2HA GLY 34 2HA GLY 34 3.951 -1.523 0.055 No H/Q in entry = 226 Start of MODEL 19 1 H SER 1 H SER 1 4.439 0.548 -0.958 2 HA SER 1 HA SER 1 2.093 2.029 -0.986 3 1HB SER 1 1HB SER 1 4.780 2.773 -2.186 4 2HB SER 1 2HB SER 1 3.459 3.901 -1.817 5 HG SER 1 HG SER 1 4.884 3.862 -0.093 6 H GLY 2 H GLY 2 0.454 2.146 -2.402 7 1HA GLY 2 1HA GLY 2 -0.623 1.978 -4.560 8 2HA GLY 2 2HA GLY 2 0.938 2.033 -5.353 9 H SER 3 H SER 3 0.513 4.266 -2.777 10 HA SER 3 HA SER 3 0.851 6.549 -4.628 11 1HB SER 3 1HB SER 3 -1.551 6.545 -4.045 12 2HB SER 3 2HB SER 3 -1.135 6.572 -2.321 13 HG SER 3 HG SER 3 -1.544 8.683 -3.218 14 H ASP 4 H ASP 4 2.883 7.070 -4.105 15 HA ASP 4 HA ASP 4 4.229 6.380 -1.719 16 1HB ASP 4 1HB ASP 4 5.245 6.795 -3.950 17 2HB ASP 4 2HB ASP 4 4.935 8.520 -3.760 18 H GLY 5 H GLY 5 2.317 9.221 -2.353 19 1HA GLY 5 1HA GLY 5 2.023 11.225 -1.153 20 2HA GLY 5 2HA GLY 5 3.320 10.782 -0.051 21 H GLY 6 H GLY 6 1.237 8.145 -0.253 22 1HA GLY 6 1HA GLY 6 -0.880 7.700 0.761 23 2HA GLY 6 2HA GLY 6 -0.690 9.081 1.830 24 H VAL 7 H VAL 7 -1.488 7.201 3.207 25 HA VAL 7 HA VAL 7 0.675 6.312 4.948 26 HB VAL 7 HB VAL 7 -2.308 5.734 5.139 27 1HG1 VAL 7 1HG1 VAL 7 -0.067 5.552 7.217 28 2HG1 VAL 7 2HG1 VAL 7 -1.802 5.352 7.545 29 3HG1 VAL 7 3HG1 VAL 7 -0.965 4.178 6.532 30 1HG2 VAL 7 1HG2 VAL 7 -0.614 7.919 6.430 31 2HG2 VAL 7 2HG2 VAL 7 -1.895 8.161 5.222 32 3HG2 VAL 7 3HG2 VAL 7 -2.307 7.557 6.827 33 H CYS 8 H CYS 8 1.919 4.854 3.797 34 HA CYS 8 HA CYS 8 0.797 2.115 3.872 35 1HB CYS 8 1HB CYS 8 0.797 2.668 1.521 36 2HB CYS 8 2HB CYS 8 2.515 3.091 1.588 37 HA PRO 9 HA PRO 9 4.386 2.113 6.677 38 1HB PRO 9 1HB PRO 9 3.226 -0.647 7.093 39 2HB PRO 9 2HB PRO 9 3.886 0.489 8.310 40 1HG PRO 9 1HG PRO 9 1.219 0.267 7.985 41 2HG PRO 9 2HG PRO 9 1.954 1.901 8.121 42 1HD PRO 9 1HD PRO 9 1.119 0.421 5.615 43 2HD PRO 9 2HD PRO 9 0.824 2.123 6.077 44 H LYS 10 H LYS 10 3.838 -0.052 4.022 45 HA LYS 10 HA LYS 10 5.076 -1.633 2.871 46 1HB LYS 10 1HB LYS 10 7.199 0.445 3.479 47 2HB LYS 10 2HB LYS 10 7.444 -0.913 2.377 48 1HG LYS 10 1HG LYS 10 5.626 -0.187 0.944 49 2HG LYS 10 2HG LYS 10 5.247 1.169 2.015 50 1HD LYS 10 1HD LYS 10 7.971 0.800 0.685 51 2HD LYS 10 2HD LYS 10 6.644 1.691 -0.064 52 1HE LYS 10 1HE LYS 10 6.524 3.191 1.927 53 2HE LYS 10 2HE LYS 10 7.905 2.345 2.635 54 1HZ LYS 10 1HZ LYS 10 9.234 3.047 0.710 55 2HZ LYS 10 2HZ LYS 10 7.959 3.841 0.066 56 3HZ LYS 10 3HZ LYS 10 8.614 4.349 1.469 57 H ILE 11 H ILE 11 4.664 -3.228 4.422 58 HA ILE 11 HA ILE 11 7.081 -4.263 5.845 59 HB ILE 11 HB ILE 11 5.799 -5.071 7.637 60 1HG1 ILE 11 1HG1 ILE 11 3.739 -5.806 6.734 61 2HG1 ILE 11 2HG1 ILE 11 3.423 -4.677 8.026 62 1HG2 ILE 11 1HG2 ILE 11 6.551 -2.756 7.790 63 2HG2 ILE 11 2HG2 ILE 11 4.981 -2.187 7.195 64 3HG2 ILE 11 3HG2 ILE 11 5.085 -3.047 8.742 65 1HD1 ILE 11 1HD1 ILE 11 2.913 -2.904 6.294 66 2HD1 ILE 11 2HD1 ILE 11 3.073 -4.165 5.046 67 3HD1 ILE 11 3HD1 ILE 11 1.821 -4.298 6.284 68 H LEU 12 H LEU 12 6.881 -6.622 6.380 69 HA LEU 12 HA LEU 12 6.629 -8.131 3.928 70 1HB LEU 12 1HB LEU 12 7.249 -9.045 6.761 71 2HB LEU 12 2HB LEU 12 7.478 -10.003 5.297 72 HG LEU 12 HG LEU 12 8.979 -7.429 5.941 73 1HD1 LEU 12 1HD1 LEU 12 9.603 -9.325 7.388 74 2HD1 LEU 12 2HD1 LEU 12 9.881 -10.339 5.953 75 3HD1 LEU 12 3HD1 LEU 12 10.903 -8.916 6.259 76 1HD2 LEU 12 1HD2 LEU 12 9.297 -9.422 3.649 77 2HD2 LEU 12 2HD2 LEU 12 8.789 -7.722 3.509 78 3HD2 LEU 12 3HD2 LEU 12 10.430 -8.106 4.032 79 H LYS 13 H LYS 13 4.057 -7.137 4.935 80 HA LYS 13 HA LYS 13 2.414 -9.479 5.639 81 1HB LYS 13 1HB LYS 13 1.784 -7.206 6.342 82 2HB LYS 13 2HB LYS 13 1.600 -6.709 4.653 83 1HG LYS 13 1HG LYS 13 -0.198 -8.366 4.336 84 2HG LYS 13 2HG LYS 13 0.039 -8.988 5.972 85 1HD LYS 13 1HD LYS 13 -0.867 -6.152 5.293 86 2HD LYS 13 2HD LYS 13 -1.931 -7.503 5.720 87 1HE LYS 13 1HE LYS 13 -0.736 -7.725 7.911 88 2HE LYS 13 2HE LYS 13 0.200 -6.277 7.519 89 1HZ LYS 13 1HZ LYS 13 -2.762 -6.379 7.763 90 2HZ LYS 13 2HZ LYS 13 -1.751 -5.756 8.880 91 3HZ LYS 13 3HZ LYS 13 -1.900 -5.034 7.424 92 H LYS 14 H LYS 14 2.578 -11.069 4.160 93 HA LYS 14 HA LYS 14 2.450 -10.752 1.289 94 1HB LYS 14 1HB LYS 14 2.082 -13.138 1.204 95 2HB LYS 14 2HB LYS 14 3.415 -12.749 2.285 96 1HG LYS 14 1HG LYS 14 1.890 -13.067 4.253 97 2HG LYS 14 2HG LYS 14 0.589 -13.529 3.136 98 1HD LYS 14 1HD LYS 14 1.967 -15.419 2.310 99 2HD LYS 14 2HD LYS 14 3.269 -14.956 3.428 100 1HE LYS 14 1HE LYS 14 1.728 -15.284 5.351 101 2HE LYS 14 2HE LYS 14 0.434 -15.746 4.240 102 1HZ LYS 14 1HZ LYS 14 2.995 -17.217 4.575 103 2HZ LYS 14 2HZ LYS 14 1.550 -17.697 5.159 104 3HZ LYS 14 3HZ LYS 14 1.799 -17.646 3.546 105 H CYS 15 H CYS 15 0.787 -10.929 -0.042 106 HA CYS 15 HA CYS 15 -2.040 -11.026 0.988 107 1HB CYS 15 1HB CYS 15 -2.552 -8.922 -0.229 108 2HB CYS 15 2HB CYS 15 -1.411 -8.707 1.062 109 H ARG 16 H ARG 16 -3.657 -10.947 -0.698 110 HA ARG 16 HA ARG 16 -2.900 -12.012 -3.418 111 1HB ARG 16 1HB ARG 16 -5.364 -12.710 -1.763 112 2HB ARG 16 2HB ARG 16 -5.075 -13.229 -3.414 113 1HG ARG 16 1HG ARG 16 -3.400 -14.089 -1.009 114 2HG ARG 16 2HG ARG 16 -4.737 -14.984 -1.715 115 1HD ARG 16 1HD ARG 16 -2.852 -16.018 -2.605 116 2HD ARG 16 2HD ARG 16 -3.449 -14.999 -3.927 117 HE ARG 16 HE ARG 16 -1.568 -13.467 -2.470 118 1HH1 ARG 16 1HH1 ARG 16 0.446 -13.154 -2.898 119 2HH1 ARG 16 2HH1 ARG 16 1.358 -14.258 -3.921 120 1HH2 ARG 16 1HH2 ARG 16 -1.343 -16.347 -4.442 121 2HH2 ARG 16 2HH2 ARG 16 0.341 -16.049 -4.793 122 H ARG 17 H ARG 17 -4.765 -9.777 -1.504 123 HA ARG 17 HA ARG 17 -5.875 -8.451 -3.966 124 1HB ARG 17 1HB ARG 17 -7.275 -8.601 -1.273 125 2HB ARG 17 2HB ARG 17 -7.932 -7.996 -2.780 126 1HG ARG 17 1HG ARG 17 -7.432 -10.877 -1.975 127 2HG ARG 17 2HG ARG 17 -8.970 -10.065 -2.190 128 1HD ARG 17 1HD ARG 17 -7.050 -11.008 -4.328 129 2HD ARG 17 2HD ARG 17 -8.702 -11.494 -4.052 130 HE ARG 17 HE ARG 17 -9.467 -9.300 -4.851 131 1HH1 ARG 17 1HH1 ARG 17 -9.454 -8.000 -6.615 132 2HH1 ARG 17 2HH1 ARG 17 -8.022 -7.873 -7.598 133 1HH2 ARG 17 1HH2 ARG 17 -6.117 -10.022 -5.724 134 2HH2 ARG 17 2HH2 ARG 17 -6.219 -9.008 -7.140 135 H ASP 18 H ASP 18 -6.345 -6.166 -3.672 136 HA ASP 18 HA ASP 18 -4.308 -4.741 -2.162 137 1HB ASP 18 1HB ASP 18 -6.860 -3.670 -3.422 138 2HB ASP 18 2HB ASP 18 -5.470 -2.716 -2.886 139 H SER 19 H SER 19 -7.531 -5.823 -1.375 140 HA SER 19 HA SER 19 -8.032 -4.108 0.903 141 1HB SER 19 1HB SER 19 -9.846 -5.751 1.365 142 2HB SER 19 2HB SER 19 -9.880 -5.082 -0.274 143 HG SER 19 HG SER 19 -10.181 -7.372 -0.228 144 H ASP 20 H ASP 20 -6.017 -6.899 0.487 145 HA ASP 20 HA ASP 20 -5.894 -7.756 3.276 146 1HB ASP 20 1HB ASP 20 -3.981 -7.928 0.938 147 2HB ASP 20 2HB ASP 20 -3.610 -8.670 2.452 148 H CYS 21 H CYS 21 -4.684 -4.955 1.615 149 HA CYS 21 HA CYS 21 -2.444 -4.612 3.513 150 1HB CYS 21 1HB CYS 21 -2.996 -3.329 0.823 151 2HB CYS 21 2HB CYS 21 -1.524 -3.160 1.783 152 HA PRO 22 HA PRO 22 -3.880 -0.868 5.490 153 1HB PRO 22 1HB PRO 22 -1.180 0.281 4.782 154 2HB PRO 22 2HB PRO 22 -2.033 0.302 6.353 155 1HG PRO 22 1HG PRO 22 -0.037 -1.480 5.936 156 2HG PRO 22 2HG PRO 22 -1.550 -2.002 6.742 157 1HD PRO 22 1HD PRO 22 -0.735 -2.382 3.852 158 2HD PRO 22 2HD PRO 22 -1.472 -3.541 4.995 159 H GLY 23 H GLY 23 -4.120 1.461 5.245 160 1HA GLY 23 1HA GLY 23 -4.532 3.472 4.107 161 2HA GLY 23 2HA GLY 23 -5.794 2.394 3.541 162 H ALA 24 H ALA 24 -2.500 3.514 2.703 163 HA ALA 24 HA ALA 24 -3.355 3.908 -0.123 164 1HB ALA 24 1HB ALA 24 -2.433 5.803 1.213 165 2HB ALA 24 2HB ALA 24 -1.500 5.444 -0.253 166 3HB ALA 24 3HB ALA 24 -0.886 4.918 1.321 167 H CYS 25 H CYS 25 -2.029 1.341 1.420 168 HA CYS 25 HA CYS 25 0.101 0.690 -0.489 169 1HB CYS 25 1HB CYS 25 -1.408 -1.105 1.418 170 2HB CYS 25 2HB CYS 25 0.062 -1.499 0.537 171 H ILE 26 H ILE 26 -0.077 -1.238 -1.736 172 HA ILE 26 HA ILE 26 -2.705 -2.276 -2.642 173 HB ILE 26 HB ILE 26 -1.718 -2.452 -4.960 174 1HG1 ILE 26 1HG1 ILE 26 0.276 -0.337 -4.083 175 2HG1 ILE 26 2HG1 ILE 26 0.691 -2.041 -4.158 176 1HG2 ILE 26 1HG2 ILE 26 -3.418 -0.768 -4.354 177 2HG2 ILE 26 2HG2 ILE 26 -2.140 0.389 -3.941 178 3HG2 ILE 26 3HG2 ILE 26 -2.336 -0.172 -5.616 179 1HD1 ILE 26 1HD1 ILE 26 -0.290 -0.443 -6.544 180 2HD1 ILE 26 2HD1 ILE 26 1.397 -0.793 -6.159 181 3HD1 ILE 26 3HD1 ILE 26 0.305 -2.143 -6.529 182 H CYS 27 H CYS 27 -2.356 -4.422 -3.718 183 HA CYS 27 HA CYS 27 -0.170 -5.947 -2.397 184 1HB CYS 27 1HB CYS 27 -2.512 -6.772 -2.426 185 2HB CYS 27 2HB CYS 27 -2.391 -6.999 -4.179 186 H ARG 28 H ARG 28 1.679 -5.636 -3.362 187 HA ARG 28 HA ARG 28 2.072 -4.684 -6.063 188 1HB ARG 28 1HB ARG 28 4.008 -5.822 -3.988 189 2HB ARG 28 2HB ARG 28 4.518 -4.987 -5.442 190 1HG ARG 28 1HG ARG 28 2.824 -3.709 -3.245 191 2HG ARG 28 2HG ARG 28 4.580 -3.634 -3.312 192 1HD ARG 28 1HD ARG 28 2.743 -2.598 -5.496 193 2HD ARG 28 2HD ARG 28 3.421 -1.602 -4.207 194 HE ARG 28 HE ARG 28 5.710 -2.363 -5.085 195 1HH1 ARG 28 1HH1 ARG 28 6.997 -1.973 -6.811 196 2HH1 ARG 28 2HH1 ARG 28 6.290 -1.634 -8.364 197 1HH2 ARG 28 1HH2 ARG 28 3.042 -1.891 -7.319 198 2HH2 ARG 28 2HH2 ARG 28 4.127 -1.597 -8.651 199 H GLY 29 H GLY 29 3.817 -5.814 -7.384 200 1HA GLY 29 1HA GLY 29 4.103 -7.413 -9.067 201 2HA GLY 29 2HA GLY 29 2.576 -8.134 -8.565 202 H ASN 30 H ASN 30 5.027 -7.861 -6.177 203 HA ASN 30 HA ASN 30 6.090 -10.600 -6.480 204 1HB ASN 30 1HB ASN 30 7.547 -10.078 -4.699 205 2HB ASN 30 2HB ASN 30 7.485 -8.642 -5.716 206 2HD2 ASN 30 2HD2 ASN 30 8.376 -8.668 -2.980 207 1HD2 ASN 30 1HD2 ASN 30 7.213 -7.696 -2.085 208 H GLY 31 H GLY 31 3.208 -9.415 -5.150 209 1HA GLY 31 1HA GLY 31 2.709 -11.950 -3.716 210 2HA GLY 31 2HA GLY 31 1.535 -10.709 -4.134 211 H TYR 32 H TYR 32 3.474 -8.656 -2.816 212 HA TYR 32 HA TYR 32 2.499 -9.035 -0.011 213 1HB TYR 32 1HB TYR 32 5.221 -8.185 -0.985 214 2HB TYR 32 2HB TYR 32 4.672 -7.845 0.639 215 HD1 TYR 32 HD1 TYR 32 4.985 -9.384 2.360 216 HD2 TYR 32 HD2 TYR 32 5.435 -10.670 -1.722 217 HE1 TYR 32 HE1 TYR 32 5.988 -11.531 3.150 218 HE2 TYR 32 HE2 TYR 32 6.380 -12.832 -0.944 219 HH TYR 32 HH TYR 32 7.009 -14.093 0.861 220 H CYS 33 H CYS 33 2.324 -7.048 1.209 221 HA CYS 33 HA CYS 33 1.051 -4.959 -0.290 222 1HB CYS 33 1HB CYS 33 1.915 -5.146 2.616 223 2HB CYS 33 2HB CYS 33 0.884 -3.873 1.962 224 H GLY 34 H GLY 34 1.715 -2.947 -0.919 225 1HA GLY 34 1HA GLY 34 4.345 -2.155 -1.385 226 2HA GLY 34 2HA GLY 34 3.979 -1.556 0.242 No H/Q in entry = 226 Start of MODEL 20 1 H SER 1 H SER 1 4.652 0.515 -1.130 2 HA SER 1 HA SER 1 2.452 2.213 -1.456 3 1HB SER 1 1HB SER 1 5.230 2.485 -2.665 4 2HB SER 1 2HB SER 1 4.062 3.804 -2.443 5 HG SER 1 HG SER 1 5.708 3.519 -0.745 6 H GLY 2 H GLY 2 1.321 3.066 -3.118 7 1HA GLY 2 1HA GLY 2 -0.027 2.188 -4.987 8 2HA GLY 2 2HA GLY 2 1.453 1.699 -5.791 9 H SER 3 H SER 3 2.790 4.264 -5.062 10 HA SER 3 HA SER 3 3.140 6.399 -5.736 11 1HB SER 3 1HB SER 3 2.106 5.291 -8.361 12 2HB SER 3 2HB SER 3 3.026 6.793 -8.166 13 HG SER 3 HG SER 3 4.766 5.573 -7.342 14 H ASP 4 H ASP 4 0.288 6.233 -7.890 15 HA ASP 4 HA ASP 4 -0.809 8.701 -6.827 16 1HB ASP 4 1HB ASP 4 -2.647 8.332 -8.334 17 2HB ASP 4 2HB ASP 4 -1.123 8.052 -9.161 18 H GLY 5 H GLY 5 -1.108 5.375 -5.881 19 1HA GLY 5 1HA GLY 5 -2.311 4.346 -4.165 20 2HA GLY 5 2HA GLY 5 -3.457 5.686 -4.158 21 H GLY 6 H GLY 6 -0.245 6.788 -3.877 22 1HA GLY 6 1HA GLY 6 -0.525 7.345 -0.965 23 2HA GLY 6 2HA GLY 6 0.403 8.276 -2.137 24 H VAL 7 H VAL 7 1.887 8.061 -0.265 25 HA VAL 7 HA VAL 7 3.888 5.911 -0.569 26 HB VAL 7 HB VAL 7 3.763 8.212 1.437 27 1HG1 VAL 7 1HG1 VAL 7 6.024 6.278 0.720 28 2HG1 VAL 7 2HG1 VAL 7 6.180 7.705 1.766 29 3HG1 VAL 7 3HG1 VAL 7 5.170 6.354 2.277 30 1HG2 VAL 7 1HG2 VAL 7 5.360 7.894 -1.144 31 2HG2 VAL 7 2HG2 VAL 7 4.032 9.044 -0.870 32 3HG2 VAL 7 3HG2 VAL 7 5.541 9.214 0.031 33 H CYS 8 H CYS 8 3.445 3.976 0.304 34 HA CYS 8 HA CYS 8 1.838 3.784 2.779 35 1HB CYS 8 1HB CYS 8 1.468 2.234 0.817 36 2HB CYS 8 2HB CYS 8 3.061 1.553 1.157 37 HA PRO 9 HA PRO 9 5.798 3.298 5.077 38 1HB PRO 9 1HB PRO 9 4.704 2.724 7.541 39 2HB PRO 9 2HB PRO 9 4.899 4.374 6.881 40 1HG PRO 9 1HG PRO 9 2.419 2.642 6.858 41 2HG PRO 9 2HG PRO 9 2.559 4.379 7.273 42 1HD PRO 9 1HD PRO 9 1.729 3.529 4.828 43 2HD PRO 9 2HD PRO 9 2.741 4.997 4.981 44 H LYS 10 H LYS 10 6.493 1.545 4.032 45 HA LYS 10 HA LYS 10 5.274 -0.821 3.433 46 1HB LYS 10 1HB LYS 10 8.259 -0.331 3.789 47 2HB LYS 10 2HB LYS 10 7.555 -1.690 2.907 48 1HG LYS 10 1HG LYS 10 6.504 -0.138 1.292 49 2HG LYS 10 2HG LYS 10 7.176 1.250 2.173 50 1HD LYS 10 1HD LYS 10 9.475 0.395 1.761 51 2HD LYS 10 2HD LYS 10 8.795 -0.934 0.797 52 1HE LYS 10 1HE LYS 10 7.794 0.687 -0.769 53 2HE LYS 10 2HE LYS 10 8.355 2.035 0.230 54 1HZ LYS 10 1HZ LYS 10 10.147 0.102 -1.151 55 2HZ LYS 10 2HZ LYS 10 9.860 1.636 -1.638 56 3HZ LYS 10 3HZ LYS 10 10.643 1.361 -0.237 57 H ILE 11 H ILE 11 5.179 -2.802 4.046 58 HA ILE 11 HA ILE 11 6.374 -3.856 6.548 59 HB ILE 11 HB ILE 11 4.194 -4.892 7.186 60 1HG1 ILE 11 1HG1 ILE 11 2.947 -2.960 5.168 61 2HG1 ILE 11 2HG1 ILE 11 3.015 -4.715 5.009 62 1HG2 ILE 11 1HG2 ILE 11 5.129 -2.825 8.255 63 2HG2 ILE 11 2HG2 ILE 11 4.077 -1.855 7.204 64 3HG2 ILE 11 3HG2 ILE 11 3.378 -2.975 8.388 65 1HD1 ILE 11 1HD1 ILE 11 1.664 -4.875 7.163 66 2HD1 ILE 11 2HD1 ILE 11 1.437 -3.116 7.054 67 3HD1 ILE 11 3HD1 ILE 11 0.824 -4.167 5.767 68 H LEU 12 H LEU 12 6.363 -6.180 6.671 69 HA LEU 12 HA LEU 12 6.670 -7.492 4.038 70 1HB LEU 12 1HB LEU 12 7.252 -8.499 6.846 71 2HB LEU 12 2HB LEU 12 7.663 -9.329 5.344 72 HG LEU 12 HG LEU 12 8.800 -6.635 6.214 73 1HD1 LEU 12 1HD1 LEU 12 9.592 -8.530 7.578 74 2HD1 LEU 12 2HD1 LEU 12 10.063 -9.405 6.103 75 3HD1 LEU 12 3HD1 LEU 12 10.882 -7.889 6.547 76 1HD2 LEU 12 1HD2 LEU 12 9.472 -8.419 3.828 77 2HD2 LEU 12 2HD2 LEU 12 8.764 -6.786 3.762 78 3HD2 LEU 12 3HD2 LEU 12 10.413 -7.005 4.351 79 H LYS 13 H LYS 13 3.961 -6.833 5.097 80 HA LYS 13 HA LYS 13 2.572 -9.323 5.667 81 1HB LYS 13 1HB LYS 13 1.804 -7.022 6.314 82 2HB LYS 13 2HB LYS 13 1.406 -6.708 4.615 83 1HG LYS 13 1HG LYS 13 -0.160 -8.671 4.673 84 2HG LYS 13 2HG LYS 13 0.284 -8.942 6.369 85 1HD LYS 13 1HD LYS 13 -0.550 -6.570 6.847 86 2HD LYS 13 2HD LYS 13 -1.186 -6.551 5.184 87 1HE LYS 13 1HE LYS 13 -2.444 -8.679 5.732 88 2HE LYS 13 2HE LYS 13 -1.879 -8.533 7.406 89 1HZ LYS 13 1HZ LYS 13 -3.037 -6.341 7.467 90 2HZ LYS 13 2HZ LYS 13 -3.614 -6.623 5.946 91 3HZ LYS 13 3HZ LYS 13 -4.073 -7.576 7.191 92 H LYS 14 H LYS 14 2.545 -10.927 4.234 93 HA LYS 14 HA LYS 14 2.560 -10.713 1.346 94 1HB LYS 14 1HB LYS 14 1.672 -12.949 3.227 95 2HB LYS 14 2HB LYS 14 1.714 -13.083 1.463 96 1HG LYS 14 1HG LYS 14 4.132 -12.697 1.439 97 2HG LYS 14 2HG LYS 14 4.142 -12.513 3.210 98 1HD LYS 14 1HD LYS 14 3.343 -14.842 3.471 99 2HD LYS 14 2HD LYS 14 3.225 -15.010 1.717 100 1HE LYS 14 1HE LYS 14 5.228 -16.113 2.420 101 2HE LYS 14 2HE LYS 14 5.678 -14.668 1.509 102 1HZ LYS 14 1HZ LYS 14 5.653 -14.845 4.481 103 2HZ LYS 14 2HZ LYS 14 6.991 -14.941 3.548 104 3HZ LYS 14 3HZ LYS 14 6.151 -13.553 3.598 105 H CYS 15 H CYS 15 0.882 -10.793 -0.025 106 HA CYS 15 HA CYS 15 -1.947 -10.786 1.011 107 1HB CYS 15 1HB CYS 15 -2.479 -8.751 -0.227 108 2HB CYS 15 2HB CYS 15 -1.202 -8.475 0.925 109 H ARG 16 H ARG 16 -3.580 -10.845 -0.538 110 HA ARG 16 HA ARG 16 -3.075 -12.392 -3.076 111 1HB ARG 16 1HB ARG 16 -5.480 -12.390 -1.213 112 2HB ARG 16 2HB ARG 16 -5.250 -13.453 -2.587 113 1HG ARG 16 1HG ARG 16 -3.731 -14.828 -1.498 114 2HG ARG 16 2HG ARG 16 -3.178 -13.592 -0.375 115 1HD ARG 16 1HD ARG 16 -5.913 -14.897 -0.262 116 2HD ARG 16 2HD ARG 16 -4.508 -15.326 0.730 117 HE ARG 16 HE ARG 16 -5.185 -12.478 0.921 118 1HH1 ARG 16 1HH1 ARG 16 -6.206 -11.631 2.641 119 2HH1 ARG 16 2HH1 ARG 16 -6.678 -12.664 3.975 120 1HH2 ARG 16 1HH2 ARG 16 -5.872 -15.595 2.378 121 2HH2 ARG 16 2HH2 ARG 16 -6.549 -14.856 3.807 122 H ARG 17 H ARG 17 -4.480 -9.598 -1.704 123 HA ARG 17 HA ARG 17 -5.651 -8.533 -4.190 124 1HB ARG 17 1HB ARG 17 -7.881 -8.183 -3.181 125 2HB ARG 17 2HB ARG 17 -7.508 -9.907 -3.263 126 1HG ARG 17 1HG ARG 17 -6.851 -9.864 -0.849 127 2HG ARG 17 2HG ARG 17 -7.247 -8.148 -0.781 128 1HD ARG 17 1HD ARG 17 -9.090 -9.243 0.161 129 2HD ARG 17 2HD ARG 17 -9.608 -8.740 -1.449 130 HE ARG 17 HE ARG 17 -9.795 -10.967 -2.080 131 1HH1 ARG 17 1HH1 ARG 17 -10.032 -13.130 -1.696 132 2HH1 ARG 17 2HH1 ARG 17 -9.332 -13.855 -0.276 133 1HH2 ARG 17 1HH2 ARG 17 -7.930 -10.958 0.938 134 2HH2 ARG 17 2HH2 ARG 17 -8.273 -12.646 1.199 135 H ASP 18 H ASP 18 -6.358 -6.220 -3.824 136 HA ASP 18 HA ASP 18 -4.372 -4.821 -2.235 137 1HB ASP 18 1HB ASP 18 -6.893 -3.673 -3.480 138 2HB ASP 18 2HB ASP 18 -5.458 -2.782 -2.939 139 H SER 19 H SER 19 -7.607 -5.917 -1.527 140 HA SER 19 HA SER 19 -8.155 -4.180 0.725 141 1HB SER 19 1HB SER 19 -9.322 -6.931 0.207 142 2HB SER 19 2HB SER 19 -10.028 -5.626 1.166 143 HG SER 19 HG SER 19 -10.207 -4.397 -0.776 144 H ASP 20 H ASP 20 -6.059 -6.844 0.406 145 HA ASP 20 HA ASP 20 -6.024 -7.763 3.207 146 1HB ASP 20 1HB ASP 20 -4.181 -8.078 0.826 147 2HB ASP 20 2HB ASP 20 -3.726 -8.701 2.370 148 H CYS 21 H CYS 21 -4.777 -4.999 1.530 149 HA CYS 21 HA CYS 21 -2.504 -4.644 3.394 150 1HB CYS 21 1HB CYS 21 -3.204 -3.398 0.709 151 2HB CYS 21 2HB CYS 21 -1.738 -3.070 1.617 152 HA PRO 22 HA PRO 22 -4.221 -1.029 5.352 153 1HB PRO 22 1HB PRO 22 -2.026 0.539 5.854 154 2HB PRO 22 2HB PRO 22 -2.346 -1.007 6.695 155 1HG PRO 22 1HG PRO 22 -0.577 -0.538 4.282 156 2HG PRO 22 2HG PRO 22 -0.160 -1.402 5.796 157 1HD PRO 22 1HD PRO 22 -0.951 -2.744 3.585 158 2HD PRO 22 2HD PRO 22 -1.504 -3.261 5.202 159 H GLY 23 H GLY 23 -4.421 1.326 5.181 160 1HA GLY 23 1HA GLY 23 -4.787 3.332 4.048 161 2HA GLY 23 2HA GLY 23 -5.784 2.203 3.144 162 H ALA 24 H ALA 24 -2.384 3.316 3.189 163 HA ALA 24 HA ALA 24 -2.604 4.348 0.449 164 1HB ALA 24 1HB ALA 24 -0.303 4.339 2.441 165 2HB ALA 24 2HB ALA 24 -0.347 5.240 0.907 166 3HB ALA 24 3HB ALA 24 -1.489 5.641 2.199 167 H CYS 25 H CYS 25 -1.722 1.290 1.662 168 HA CYS 25 HA CYS 25 0.242 0.655 -0.441 169 1HB CYS 25 1HB CYS 25 -1.047 -0.912 1.793 170 2HB CYS 25 2HB CYS 25 -0.252 -1.734 0.471 171 H ILE 26 H ILE 26 -0.043 -1.087 -1.794 172 HA ILE 26 HA ILE 26 -2.735 -2.050 -2.640 173 HB ILE 26 HB ILE 26 -1.782 -2.186 -4.972 174 1HG1 ILE 26 1HG1 ILE 26 0.192 -0.018 -4.242 175 2HG1 ILE 26 2HG1 ILE 26 0.654 -1.687 -4.024 176 1HG2 ILE 26 1HG2 ILE 26 -3.433 -0.469 -4.336 177 2HG2 ILE 26 2HG2 ILE 26 -2.125 0.638 -3.874 178 3HG2 ILE 26 3HG2 ILE 26 -2.316 0.137 -5.566 179 1HD1 ILE 26 1HD1 ILE 26 -0.290 -0.527 -6.670 180 2HD1 ILE 26 2HD1 ILE 26 1.393 -0.841 -6.205 181 3HD1 ILE 26 3HD1 ILE 26 0.271 -2.205 -6.382 182 H CYS 27 H CYS 27 -2.452 -4.198 -3.771 183 HA CYS 27 HA CYS 27 -0.311 -5.811 -2.464 184 1HB CYS 27 1HB CYS 27 -2.627 -6.537 -2.257 185 2HB CYS 27 2HB CYS 27 -2.763 -6.701 -4.019 186 H ARG 28 H ARG 28 1.523 -5.727 -3.551 187 HA ARG 28 HA ARG 28 1.575 -5.002 -6.394 188 1HB ARG 28 1HB ARG 28 3.919 -5.418 -4.483 189 2HB ARG 28 2HB ARG 28 3.927 -4.581 -6.047 190 1HG ARG 28 1HG ARG 28 1.960 -3.192 -4.891 191 2HG ARG 28 2HG ARG 28 2.762 -3.694 -3.406 192 1HD ARG 28 1HD ARG 28 3.956 -2.104 -5.717 193 2HD ARG 28 2HD ARG 28 3.410 -1.470 -4.160 194 HE ARG 28 HE ARG 28 5.469 -3.522 -3.885 195 1HH1 ARG 28 1HH1 ARG 28 7.545 -2.981 -3.352 196 2HH1 ARG 28 2HH1 ARG 28 8.052 -1.317 -3.407 197 1HH2 ARG 28 1HH2 ARG 28 4.998 -0.074 -4.375 198 2HH2 ARG 28 2HH2 ARG 28 6.668 0.281 -4.005 199 H GLY 29 H GLY 29 3.483 -6.048 -7.634 200 1HA GLY 29 1HA GLY 29 3.835 -7.786 -9.148 201 2HA GLY 29 2HA GLY 29 2.427 -8.596 -8.464 202 H ASN 30 H ASN 30 4.900 -7.834 -6.252 203 HA ASN 30 HA ASN 30 6.330 -10.406 -6.343 204 1HB ASN 30 1HB ASN 30 7.618 -9.557 -4.526 205 2HB ASN 30 2HB ASN 30 7.428 -8.254 -5.696 206 2HD2 ASN 30 2HD2 ASN 30 8.215 -7.764 -3.036 207 1HD2 ASN 30 1HD2 ASN 30 6.889 -6.911 -2.254 208 H GLY 31 H GLY 31 3.297 -9.520 -5.076 209 1HA GLY 31 1HA GLY 31 3.097 -12.032 -3.516 210 2HA GLY 31 2HA GLY 31 1.783 -10.973 -4.007 211 H TYR 32 H TYR 32 3.536 -8.647 -2.808 212 HA TYR 32 HA TYR 32 2.577 -8.950 0.014 213 1HB TYR 32 1HB TYR 32 5.192 -7.856 -1.002 214 2HB TYR 32 2HB TYR 32 4.625 -7.582 0.622 215 HD1 TYR 32 HD1 TYR 32 5.845 -10.216 -1.733 216 HD2 TYR 32 HD2 TYR 32 4.994 -9.132 2.340 217 HE1 TYR 32 HE1 TYR 32 7.186 -12.159 -0.943 218 HE2 TYR 32 HE2 TYR 32 6.423 -11.014 3.147 219 HH TYR 32 HH TYR 32 8.096 -13.222 0.876 220 H CYS 33 H CYS 33 2.286 -6.934 1.129 221 HA CYS 33 HA CYS 33 1.011 -4.860 -0.423 222 1HB CYS 33 1HB CYS 33 1.874 -4.982 2.489 223 2HB CYS 33 2HB CYS 33 0.824 -3.745 1.796 224 H GLY 34 H GLY 34 1.709 -2.791 -0.941 225 1HA GLY 34 1HA GLY 34 4.412 -2.133 -1.390 226 2HA GLY 34 2HA GLY 34 4.006 -1.490 0.207 No H/Q in entry = 226 Start of MODEL 21 1 H SER 1 H SER 1 4.577 0.480 -1.337 2 HA SER 1 HA SER 1 2.078 1.901 -1.193 3 1HB SER 1 1HB SER 1 4.496 2.750 -0.770 4 2HB SER 1 2HB SER 1 4.533 3.051 -2.521 5 HG SER 1 HG SER 1 3.746 4.886 -1.504 6 H GLY 2 H GLY 2 1.186 3.319 -2.885 7 1HA GLY 2 1HA GLY 2 -0.200 1.983 -4.751 8 2HA GLY 2 2HA GLY 2 1.273 2.293 -5.671 9 H SER 3 H SER 3 -1.044 3.159 -6.638 10 HA SER 3 HA SER 3 -0.579 5.888 -7.209 11 1HB SER 3 1HB SER 3 -3.069 4.236 -7.767 12 2HB SER 3 2HB SER 3 -2.556 5.696 -8.631 13 HG SER 3 HG SER 3 -0.696 4.563 -9.334 14 H ASP 4 H ASP 4 -2.115 4.825 -4.434 15 HA ASP 4 HA ASP 4 -4.288 6.675 -4.097 16 1HB ASP 4 1HB ASP 4 -3.896 4.607 -2.756 17 2HB ASP 4 2HB ASP 4 -2.475 5.359 -2.028 18 H GLY 5 H GLY 5 -4.354 8.551 -2.646 19 1HA GLY 5 1HA GLY 5 -3.724 10.726 -2.187 20 2HA GLY 5 2HA GLY 5 -2.302 10.511 -3.200 21 H GLY 6 H GLY 6 -2.658 8.263 -0.555 22 1HA GLY 6 1HA GLY 6 -1.694 8.146 1.554 23 2HA GLY 6 2HA GLY 6 -1.018 9.763 1.375 24 H VAL 7 H VAL 7 0.561 8.093 2.531 25 HA VAL 7 HA VAL 7 2.498 6.892 0.570 26 HB VAL 7 HB VAL 7 3.181 8.329 3.176 27 1HG1 VAL 7 1HG1 VAL 7 4.965 7.026 1.064 28 2HG1 VAL 7 2HG1 VAL 7 5.534 8.006 2.431 29 3HG1 VAL 7 3HG1 VAL 7 4.740 6.462 2.736 30 1HG2 VAL 7 1HG2 VAL 7 3.704 9.118 0.276 31 2HG2 VAL 7 2HG2 VAL 7 2.620 9.950 1.413 32 3HG2 VAL 7 3HG2 VAL 7 4.360 9.943 1.708 33 H CYS 8 H CYS 8 2.496 4.694 0.832 34 HA CYS 8 HA CYS 8 1.633 3.598 3.409 35 1HB CYS 8 1HB CYS 8 1.184 2.459 1.138 36 2HB CYS 8 2HB CYS 8 2.875 1.958 1.213 37 HA PRO 9 HA PRO 9 5.940 3.387 4.944 38 1HB PRO 9 1HB PRO 9 5.461 1.976 7.272 39 2HB PRO 9 2HB PRO 9 5.168 3.724 7.053 40 1HG PRO 9 1HG PRO 9 3.175 1.456 6.793 41 2HG PRO 9 2HG PRO 9 3.000 2.988 7.714 42 1HD PRO 9 1HD PRO 9 1.940 2.715 5.256 43 2HD PRO 9 2HD PRO 9 2.724 4.261 5.701 44 H LYS 10 H LYS 10 4.278 0.971 3.464 45 HA LYS 10 HA LYS 10 4.801 -1.061 2.516 46 1HB LYS 10 1HB LYS 10 7.562 0.174 2.726 47 2HB LYS 10 2HB LYS 10 7.191 -1.256 1.765 48 1HG LYS 10 1HG LYS 10 5.750 -0.081 0.301 49 2HG LYS 10 2HG LYS 10 5.701 1.358 1.311 50 1HD LYS 10 1HD LYS 10 8.229 0.332 -0.044 51 2HD LYS 10 2HD LYS 10 7.138 1.539 -0.747 52 1HE LYS 10 1HE LYS 10 7.472 3.015 1.223 53 2HE LYS 10 2HE LYS 10 8.595 1.837 1.918 54 1HZ LYS 10 1HZ LYS 10 10.035 2.156 -0.023 55 2HZ LYS 10 2HZ LYS 10 9.004 3.251 -0.663 56 3HZ LYS 10 3HZ LYS 10 9.786 3.580 0.729 57 H ILE 11 H ILE 11 4.010 -2.046 4.502 58 HA ILE 11 HA ILE 11 5.921 -3.415 6.243 59 HB ILE 11 HB ILE 11 3.932 -4.479 7.209 60 1HG1 ILE 11 1HG1 ILE 11 2.243 -2.850 5.249 61 2HG1 ILE 11 2HG1 ILE 11 2.504 -4.590 5.147 62 1HG2 ILE 11 1HG2 ILE 11 4.785 -2.250 7.958 63 2HG2 ILE 11 2HG2 ILE 11 3.573 -1.463 6.925 64 3HG2 ILE 11 3HG2 ILE 11 3.070 -2.483 8.286 65 1HD1 ILE 11 1HD1 ILE 11 1.485 -4.833 7.443 66 2HD1 ILE 11 2HD1 ILE 11 1.029 -3.116 7.348 67 3HD1 ILE 11 3HD1 ILE 11 0.386 -4.273 6.172 68 H LEU 12 H LEU 12 6.276 -5.573 6.325 69 HA LEU 12 HA LEU 12 6.260 -7.071 3.788 70 1HB LEU 12 1HB LEU 12 7.327 -7.873 6.516 71 2HB LEU 12 2HB LEU 12 7.583 -8.748 5.004 72 HG LEU 12 HG LEU 12 8.603 -5.930 5.595 73 1HD1 LEU 12 1HD1 LEU 12 9.744 -7.687 6.895 74 2HD1 LEU 12 2HD1 LEU 12 10.069 -8.592 5.399 75 3HD1 LEU 12 3HD1 LEU 12 10.810 -6.996 5.662 76 1HD2 LEU 12 1HD2 LEU 12 9.070 -7.766 3.202 77 2HD2 LEU 12 2HD2 LEU 12 8.226 -6.199 3.185 78 3HD2 LEU 12 3HD2 LEU 12 9.955 -6.257 3.528 79 H LYS 13 H LYS 13 3.685 -6.626 4.641 80 HA LYS 13 HA LYS 13 2.538 -9.173 5.648 81 1HB LYS 13 1HB LYS 13 1.586 -6.939 6.241 82 2HB LYS 13 2HB LYS 13 1.134 -6.699 4.546 83 1HG LYS 13 1HG LYS 13 -0.301 -8.740 4.668 84 2HG LYS 13 2HG LYS 13 0.215 -8.987 6.348 85 1HD LYS 13 1HD LYS 13 -0.751 -6.704 6.895 86 2HD LYS 13 2HD LYS 13 -1.396 -6.649 5.237 87 1HE LYS 13 1HE LYS 13 -2.584 -8.823 5.700 88 2HE LYS 13 2HE LYS 13 -1.999 -8.753 7.370 89 1HZ LYS 13 1HZ LYS 13 -3.219 -6.626 7.598 90 2HZ LYS 13 2HZ LYS 13 -3.777 -6.778 6.056 91 3HZ LYS 13 3HZ LYS 13 -4.235 -7.848 7.206 92 H LYS 14 H LYS 14 2.523 -10.855 4.266 93 HA LYS 14 HA LYS 14 2.517 -10.621 1.379 94 1HB LYS 14 1HB LYS 14 2.119 -13.055 1.375 95 2HB LYS 14 2HB LYS 14 3.538 -12.542 2.276 96 1HG LYS 14 1HG LYS 14 2.354 -12.886 4.419 97 2HG LYS 14 2HG LYS 14 0.875 -13.299 3.550 98 1HD LYS 14 1HD LYS 14 2.017 -15.318 4.351 99 2HD LYS 14 2HD LYS 14 1.901 -15.283 2.597 100 1HE LYS 14 1HE LYS 14 4.071 -16.131 3.226 101 2HE LYS 14 2HE LYS 14 4.269 -14.574 2.426 102 1HZ LYS 14 1HZ LYS 14 4.545 -13.559 4.638 103 2HZ LYS 14 2HZ LYS 14 4.366 -15.017 5.366 104 3HZ LYS 14 3HZ LYS 14 5.651 -14.725 4.399 105 H CYS 15 H CYS 15 0.884 -10.922 -0.006 106 HA CYS 15 HA CYS 15 -1.963 -10.993 0.926 107 1HB CYS 15 1HB CYS 15 -2.453 -8.857 -0.167 108 2HB CYS 15 2HB CYS 15 -1.234 -8.662 1.065 109 H ARG 16 H ARG 16 -3.512 -10.870 -0.815 110 HA ARG 16 HA ARG 16 -2.641 -11.558 -3.591 111 1HB ARG 16 1HB ARG 16 -4.791 -13.054 -2.026 112 2HB ARG 16 2HB ARG 16 -4.507 -13.234 -3.753 113 1HG ARG 16 1HG ARG 16 -2.502 -13.959 -1.572 114 2HG ARG 16 2HG ARG 16 -3.544 -15.079 -2.441 115 1HD ARG 16 1HD ARG 16 -2.473 -14.477 -4.578 116 2HD ARG 16 2HD ARG 16 -1.403 -13.346 -3.759 117 HE ARG 16 HE ARG 16 -1.268 -16.295 -3.723 118 1HH1 ARG 16 1HH1 ARG 16 0.559 -17.278 -3.030 119 2HH1 ARG 16 2HH1 ARG 16 1.770 -16.369 -2.170 120 1HH2 ARG 16 1HH2 ARG 16 0.075 -13.387 -2.250 121 2HH2 ARG 16 2HH2 ARG 16 1.519 -14.234 -1.759 122 H ARG 17 H ARG 17 -4.539 -9.692 -1.540 123 HA ARG 17 HA ARG 17 -6.134 -8.507 -3.798 124 1HB ARG 17 1HB ARG 17 -6.988 -8.693 -0.880 125 2HB ARG 17 2HB ARG 17 -7.962 -8.166 -2.250 126 1HG ARG 17 1HG ARG 17 -8.023 -10.459 -3.127 127 2HG ARG 17 2HG ARG 17 -6.975 -11.021 -1.809 128 1HD ARG 17 1HD ARG 17 -9.706 -9.766 -1.382 129 2HD ARG 17 2HD ARG 17 -9.388 -11.508 -1.442 130 HE ARG 17 HE ARG 17 -7.623 -10.338 0.494 131 1HH1 ARG 17 1HH1 ARG 17 -7.851 -10.443 2.512 132 2HH1 ARG 17 2HH1 ARG 17 -9.390 -10.814 3.306 133 1HH2 ARG 17 1HH2 ARG 17 -11.047 -11.055 0.262 134 2HH2 ARG 17 2HH2 ARG 17 -11.198 -11.153 2.000 135 H ASP 18 H ASP 18 -6.404 -6.209 -3.653 136 HA ASP 18 HA ASP 18 -4.360 -4.743 -2.177 137 1HB ASP 18 1HB ASP 18 -6.894 -3.659 -3.457 138 2HB ASP 18 2HB ASP 18 -5.477 -2.728 -2.942 139 H SER 19 H SER 19 -7.573 -5.834 -1.357 140 HA SER 19 HA SER 19 -8.030 -4.106 0.926 141 1HB SER 19 1HB SER 19 -9.851 -5.720 1.418 142 2HB SER 19 2HB SER 19 -9.905 -5.070 -0.229 143 HG SER 19 HG SER 19 -10.230 -7.344 -0.172 144 H ASP 20 H ASP 20 -6.059 -6.961 0.468 145 HA ASP 20 HA ASP 20 -5.900 -7.797 3.248 146 1HB ASP 20 1HB ASP 20 -3.919 -7.901 0.962 147 2HB ASP 20 2HB ASP 20 -3.637 -8.713 2.464 148 H CYS 21 H CYS 21 -4.535 -5.105 1.467 149 HA CYS 21 HA CYS 21 -2.384 -4.628 3.420 150 1HB CYS 21 1HB CYS 21 -3.091 -3.348 0.750 151 2HB CYS 21 2HB CYS 21 -1.627 -3.030 1.667 152 HA PRO 22 HA PRO 22 -4.250 -1.019 5.319 153 1HB PRO 22 1HB PRO 22 -2.117 0.662 5.738 154 2HB PRO 22 2HB PRO 22 -2.384 -0.847 6.664 155 1HG PRO 22 1HG PRO 22 -0.621 -0.444 4.233 156 2HG PRO 22 2HG PRO 22 -0.183 -1.216 5.791 157 1HD PRO 22 1HD PRO 22 -0.909 -2.695 3.650 158 2HD PRO 22 2HD PRO 22 -1.469 -3.146 5.285 159 H GLY 23 H GLY 23 -4.669 1.254 4.999 160 1HA GLY 23 1HA GLY 23 -5.173 3.160 3.768 161 2HA GLY 23 2HA GLY 23 -5.969 1.908 2.820 162 H ALA 24 H ALA 24 -2.686 3.255 3.126 163 HA ALA 24 HA ALA 24 -2.737 4.358 0.419 164 1HB ALA 24 1HB ALA 24 -0.543 4.271 2.526 165 2HB ALA 24 2HB ALA 24 -0.524 5.245 1.037 166 3HB ALA 24 3HB ALA 24 -1.731 5.574 2.294 167 H CYS 25 H CYS 25 -1.751 1.302 1.643 168 HA CYS 25 HA CYS 25 0.190 0.747 -0.506 169 1HB CYS 25 1HB CYS 25 -0.919 -0.868 1.784 170 2HB CYS 25 2HB CYS 25 -0.172 -1.657 0.419 171 H ILE 26 H ILE 26 -0.064 -1.171 -1.733 172 HA ILE 26 HA ILE 26 -2.734 -2.120 -2.611 173 HB ILE 26 HB ILE 26 -1.806 -2.284 -4.933 174 1HG1 ILE 26 1HG1 ILE 26 0.293 -0.234 -4.180 175 2HG1 ILE 26 2HG1 ILE 26 0.660 -1.950 -4.125 176 1HG2 ILE 26 1HG2 ILE 26 -3.386 -0.497 -4.279 177 2HG2 ILE 26 2HG2 ILE 26 -2.025 0.573 -3.893 178 3HG2 ILE 26 3HG2 ILE 26 -2.294 0.031 -5.563 179 1HD1 ILE 26 1HD1 ILE 26 -0.330 -0.551 -6.631 180 2HD1 ILE 26 2HD1 ILE 26 1.358 -0.913 -6.249 181 3HD1 ILE 26 3HD1 ILE 26 0.213 -2.246 -6.471 182 H CYS 27 H CYS 27 -2.394 -4.286 -3.740 183 HA CYS 27 HA CYS 27 -0.221 -5.834 -2.411 184 1HB CYS 27 1HB CYS 27 -2.548 -6.653 -2.370 185 2HB CYS 27 2HB CYS 27 -2.495 -6.866 -4.128 186 H ARG 28 H ARG 28 1.641 -5.653 -3.395 187 HA ARG 28 HA ARG 28 2.022 -4.749 -6.125 188 1HB ARG 28 1HB ARG 28 3.991 -5.885 -4.091 189 2HB ARG 28 2HB ARG 28 4.444 -5.007 -5.537 190 1HG ARG 28 1HG ARG 28 2.784 -3.781 -3.281 191 2HG ARG 28 2HG ARG 28 4.538 -3.757 -3.313 192 1HD ARG 28 1HD ARG 28 2.829 -2.577 -5.531 193 2HD ARG 28 2HD ARG 28 3.391 -1.663 -4.124 194 HE ARG 28 HE ARG 28 5.569 -3.021 -5.488 195 1HH1 ARG 28 1HH1 ARG 28 7.024 -1.972 -6.742 196 2HH1 ARG 28 2HH1 ARG 28 6.775 -0.297 -7.141 197 1HH2 ARG 28 1HH2 ARG 28 3.828 0.039 -5.431 198 2HH2 ARG 28 2HH2 ARG 28 5.000 0.779 -6.487 199 H GLY 29 H GLY 29 3.710 -5.959 -7.440 200 1HA GLY 29 1HA GLY 29 3.896 -7.608 -9.088 201 2HA GLY 29 2HA GLY 29 2.394 -8.306 -8.489 202 H ASN 30 H ASN 30 4.886 -7.992 -6.180 203 HA ASN 30 HA ASN 30 5.986 -10.720 -6.485 204 1HB ASN 30 1HB ASN 30 7.509 -10.135 -4.767 205 2HB ASN 30 2HB ASN 30 7.400 -8.744 -5.844 206 2HD2 ASN 30 2HD2 ASN 30 8.419 -8.582 -3.186 207 1HD2 ASN 30 1HD2 ASN 30 7.275 -7.596 -2.278 208 H GLY 31 H GLY 31 3.123 -9.607 -5.141 209 1HA GLY 31 1HA GLY 31 2.725 -12.094 -3.609 210 2HA GLY 31 2HA GLY 31 1.520 -10.866 -3.979 211 H TYR 32 H TYR 32 3.465 -8.762 -2.832 212 HA TYR 32 HA TYR 32 2.604 -9.039 0.010 213 1HB TYR 32 1HB TYR 32 5.329 -8.342 -1.085 214 2HB TYR 32 2HB TYR 32 4.815 -7.722 0.463 215 HD1 TYR 32 HD1 TYR 32 5.465 -10.928 -1.386 216 HD2 TYR 32 HD2 TYR 32 4.988 -8.974 2.413 217 HE1 TYR 32 HE1 TYR 32 6.380 -12.939 -0.240 218 HE2 TYR 32 HE2 TYR 32 6.013 -10.938 3.565 219 HH TYR 32 HH TYR 32 7.079 -13.839 1.752 220 H CYS 33 H CYS 33 2.375 -7.028 1.138 221 HA CYS 33 HA CYS 33 1.145 -4.967 -0.432 222 1HB CYS 33 1HB CYS 33 2.023 -5.045 2.473 223 2HB CYS 33 2HB CYS 33 1.020 -3.777 1.763 224 H GLY 34 H GLY 34 1.770 -2.876 -0.919 225 1HA GLY 34 1HA GLY 34 4.408 -2.178 -1.583 226 2HA GLY 34 2HA GLY 34 4.141 -1.605 0.072 No H/Q in entry = 226 Start of MODEL 22 1 H SER 1 H SER 1 4.371 0.608 -1.490 2 HA SER 1 HA SER 1 1.918 2.019 -1.481 3 1HB SER 1 1HB SER 1 4.513 2.792 -2.869 4 2HB SER 1 2HB SER 1 3.149 3.875 -2.537 5 HG SER 1 HG SER 1 4.983 2.720 -0.748 6 H GLY 2 H GLY 2 0.678 3.042 -3.124 7 1HA GLY 2 1HA GLY 2 -0.689 1.890 -4.938 8 2HA GLY 2 2HA GLY 2 0.801 1.817 -5.866 9 H SER 3 H SER 3 -0.931 2.824 -7.276 10 HA SER 3 HA SER 3 -0.087 5.401 -7.990 11 1HB SER 3 1HB SER 3 -2.566 3.912 -8.924 12 2HB SER 3 2HB SER 3 -1.725 5.215 -9.785 13 HG SER 3 HG SER 3 -1.100 3.145 -10.549 14 H ASP 4 H ASP 4 -2.322 4.830 -5.556 15 HA ASP 4 HA ASP 4 -4.274 6.893 -5.893 16 1HB ASP 4 1HB ASP 4 -4.392 4.994 -4.295 17 2HB ASP 4 2HB ASP 4 -3.079 5.707 -3.358 18 H GLY 5 H GLY 5 -0.914 7.122 -5.072 19 1HA GLY 5 1HA GLY 5 -1.087 10.090 -4.926 20 2HA GLY 5 2HA GLY 5 0.331 9.125 -5.309 21 H GLY 6 H GLY 6 -1.127 7.819 -2.588 22 1HA GLY 6 1HA GLY 6 -0.638 7.879 -0.295 23 2HA GLY 6 2HA GLY 6 0.221 9.409 -0.506 24 H VAL 7 H VAL 7 1.465 7.950 1.127 25 HA VAL 7 HA VAL 7 3.370 6.071 -0.194 26 HB VAL 7 HB VAL 7 4.585 8.107 0.165 27 1HG1 VAL 7 1HG1 VAL 7 3.346 9.108 2.070 28 2HG1 VAL 7 2HG1 VAL 7 4.052 7.888 3.154 29 3HG1 VAL 7 3HG1 VAL 7 5.093 9.058 2.327 30 1HG2 VAL 7 1HG2 VAL 7 5.718 5.923 0.432 31 2HG2 VAL 7 2HG2 VAL 7 6.469 7.209 1.392 32 3HG2 VAL 7 3HG2 VAL 7 5.441 6.000 2.187 33 H CYS 8 H CYS 8 3.297 4.118 0.605 34 HA CYS 8 HA CYS 8 1.800 3.621 3.097 35 1HB CYS 8 1HB CYS 8 1.323 2.320 0.988 36 2HB CYS 8 2HB CYS 8 2.932 1.627 1.124 37 HA PRO 9 HA PRO 9 5.849 2.829 5.158 38 1HB PRO 9 1HB PRO 9 4.901 2.513 7.703 39 2HB PRO 9 2HB PRO 9 5.153 4.109 6.935 40 1HG PRO 9 1HG PRO 9 2.563 2.557 7.183 41 2HG PRO 9 2HG PRO 9 2.856 4.291 7.520 42 1HD PRO 9 1HD PRO 9 1.802 3.397 5.165 43 2HD PRO 9 2HD PRO 9 2.881 4.826 5.220 44 H LYS 10 H LYS 10 6.171 0.931 4.064 45 HA LYS 10 HA LYS 10 4.588 -1.343 3.949 46 1HB LYS 10 1HB LYS 10 7.554 -0.868 3.499 47 2HB LYS 10 2HB LYS 10 6.868 -2.486 3.323 48 1HG LYS 10 1HG LYS 10 5.310 -1.749 1.630 49 2HG LYS 10 2HG LYS 10 5.794 -0.063 1.834 50 1HD LYS 10 1HD LYS 10 6.850 -0.966 -0.170 51 2HD LYS 10 2HD LYS 10 8.057 -0.566 1.043 52 1HE LYS 10 1HE LYS 10 8.745 -2.625 0.099 53 2HE LYS 10 2HE LYS 10 8.138 -3.006 1.704 54 1HZ LYS 10 1HZ LYS 10 6.013 -3.711 0.598 55 2HZ LYS 10 2HZ LYS 10 6.692 -3.413 -0.861 56 3HZ LYS 10 3HZ LYS 10 7.300 -4.583 0.095 57 H ILE 11 H ILE 11 4.689 -3.326 4.617 58 HA ILE 11 HA ILE 11 6.278 -4.255 6.912 59 HB ILE 11 HB ILE 11 4.432 -5.234 8.076 60 1HG1 ILE 11 1HG1 ILE 11 2.811 -5.711 6.377 61 2HG1 ILE 11 2HG1 ILE 11 2.095 -4.825 7.701 62 1HG2 ILE 11 1HG2 ILE 11 5.129 -2.995 8.748 63 2HG2 ILE 11 2HG2 ILE 11 3.876 -2.273 7.722 64 3HG2 ILE 11 3HG2 ILE 11 3.420 -3.294 9.097 65 1HD1 ILE 11 1HD1 ILE 11 2.131 -2.742 6.265 66 2HD1 ILE 11 2HD1 ILE 11 2.685 -3.760 4.910 67 3HD1 ILE 11 3HD1 ILE 11 1.115 -4.059 5.655 68 H LEU 12 H LEU 12 6.192 -6.649 7.098 69 HA LEU 12 HA LEU 12 6.399 -7.893 4.458 70 1HB LEU 12 1HB LEU 12 6.856 -9.021 7.242 71 2HB LEU 12 2HB LEU 12 7.266 -9.833 5.731 72 HG LEU 12 HG LEU 12 8.507 -7.212 6.675 73 1HD1 LEU 12 1HD1 LEU 12 9.163 -9.152 8.049 74 2HD1 LEU 12 2HD1 LEU 12 9.629 -10.042 6.582 75 3HD1 LEU 12 3HD1 LEU 12 10.513 -8.574 7.059 76 1HD2 LEU 12 1HD2 LEU 12 9.161 -9.014 4.297 77 2HD2 LEU 12 2HD2 LEU 12 8.540 -7.348 4.221 78 3HD2 LEU 12 3HD2 LEU 12 10.156 -7.651 4.858 79 H LYS 13 H LYS 13 3.683 -7.184 5.219 80 HA LYS 13 HA LYS 13 2.185 -9.680 5.652 81 1HB LYS 13 1HB LYS 13 1.267 -7.494 6.354 82 2HB LYS 13 2HB LYS 13 1.190 -6.977 4.658 83 1HG LYS 13 1HG LYS 13 -0.315 -8.949 4.189 84 2HG LYS 13 2HG LYS 13 -0.270 -9.361 5.907 85 1HD LYS 13 1HD LYS 13 -1.371 -6.790 4.693 86 2HD LYS 13 2HD LYS 13 -2.318 -8.187 5.217 87 1HE LYS 13 1HE LYS 13 -1.379 -7.854 7.552 88 2HE LYS 13 2HE LYS 13 -0.657 -6.340 6.979 89 1HZ LYS 13 1HZ LYS 13 -2.957 -5.648 6.341 90 2HZ LYS 13 2HZ LYS 13 -3.556 -6.995 7.018 91 3HZ LYS 13 3HZ LYS 13 -2.811 -5.886 7.961 92 H LYS 14 H LYS 14 2.526 -11.201 4.156 93 HA LYS 14 HA LYS 14 2.543 -10.736 1.279 94 1HB LYS 14 1HB LYS 14 2.342 -13.131 1.036 95 2HB LYS 14 2HB LYS 14 3.638 -12.712 2.152 96 1HG LYS 14 1HG LYS 14 2.133 -13.267 4.080 97 2HG LYS 14 2HG LYS 14 0.886 -13.776 2.923 98 1HD LYS 14 1HD LYS 14 2.467 -15.448 1.975 99 2HD LYS 14 2HD LYS 14 3.676 -14.993 3.181 100 1HE LYS 14 1HE LYS 14 0.896 -16.095 3.806 101 2HE LYS 14 2HE LYS 14 2.362 -17.073 3.718 102 1HZ LYS 14 1HZ LYS 14 3.284 -15.753 5.550 103 2HZ LYS 14 2HZ LYS 14 1.906 -14.876 5.665 104 3HZ LYS 14 3HZ LYS 14 1.893 -16.471 6.001 105 H CYS 15 H CYS 15 0.906 -10.921 -0.095 106 HA CYS 15 HA CYS 15 -1.920 -11.104 0.947 107 1HB CYS 15 1HB CYS 15 -2.462 -8.947 -0.096 108 2HB CYS 15 2HB CYS 15 -1.225 -8.800 1.108 109 H ARG 16 H ARG 16 -3.554 -10.893 -0.691 110 HA ARG 16 HA ARG 16 -2.938 -11.930 -3.443 111 1HB ARG 16 1HB ARG 16 -5.141 -12.911 -1.575 112 2HB ARG 16 2HB ARG 16 -4.978 -13.353 -3.277 113 1HG ARG 16 1HG ARG 16 -2.774 -14.392 -2.820 114 2HG ARG 16 2HG ARG 16 -2.944 -14.019 -1.098 115 1HD ARG 16 1HD ARG 16 -4.862 -15.753 -2.705 116 2HD ARG 16 2HD ARG 16 -3.547 -16.364 -1.684 117 HE ARG 16 HE ARG 16 -5.078 -14.690 -0.025 118 1HH1 ARG 16 1HH1 ARG 16 -6.620 -15.388 1.386 119 2HH1 ARG 16 2HH1 ARG 16 -7.394 -16.928 1.135 120 1HH2 ARG 16 1HH2 ARG 16 -5.664 -17.690 -1.724 121 2HH2 ARG 16 2HH2 ARG 16 -6.877 -18.204 -0.577 122 H ARG 17 H ARG 17 -4.621 -9.731 -1.438 123 HA ARG 17 HA ARG 17 -6.200 -8.575 -3.725 124 1HB ARG 17 1HB ARG 17 -7.048 -8.625 -0.805 125 2HB ARG 17 2HB ARG 17 -8.020 -8.135 -2.188 126 1HG ARG 17 1HG ARG 17 -8.163 -10.477 -2.947 127 2HG ARG 17 2HG ARG 17 -7.130 -10.998 -1.600 128 1HD ARG 17 1HD ARG 17 -9.826 -9.634 -1.292 129 2HD ARG 17 2HD ARG 17 -9.532 -11.375 -1.136 130 HE ARG 17 HE ARG 17 -7.735 -10.258 0.673 131 1HH1 ARG 17 1HH1 ARG 17 -7.943 -9.808 2.643 132 2HH1 ARG 17 2HH1 ARG 17 -9.509 -9.557 3.429 133 1HH2 ARG 17 1HH2 ARG 17 -11.231 -10.036 0.450 134 2HH2 ARG 17 2HH2 ARG 17 -11.365 -9.673 2.153 135 H ASP 18 H ASP 18 -6.446 -6.272 -3.623 136 HA ASP 18 HA ASP 18 -4.434 -4.765 -2.138 137 1HB ASP 18 1HB ASP 18 -6.993 -3.741 -3.420 138 2HB ASP 18 2HB ASP 18 -5.595 -2.777 -2.914 139 H SER 19 H SER 19 -7.610 -5.926 -1.367 140 HA SER 19 HA SER 19 -8.282 -4.262 0.876 141 1HB SER 19 1HB SER 19 -9.112 -7.133 0.295 142 2HB SER 19 2HB SER 19 -9.950 -5.980 1.344 143 HG SER 19 HG SER 19 -10.347 -4.686 -0.521 144 H ASP 20 H ASP 20 -6.060 -6.935 0.532 145 HA ASP 20 HA ASP 20 -5.902 -7.738 3.332 146 1HB ASP 20 1HB ASP 20 -3.934 -7.869 1.028 147 2HB ASP 20 2HB ASP 20 -3.641 -8.658 2.540 148 H CYS 21 H CYS 21 -4.559 -5.090 1.473 149 HA CYS 21 HA CYS 21 -2.420 -4.543 3.414 150 1HB CYS 21 1HB CYS 21 -3.110 -3.363 0.697 151 2HB CYS 21 2HB CYS 21 -1.647 -3.025 1.613 152 HA PRO 22 HA PRO 22 -4.298 -0.904 5.207 153 1HB PRO 22 1HB PRO 22 -2.155 0.711 5.761 154 2HB PRO 22 2HB PRO 22 -2.473 -0.824 6.624 155 1HG PRO 22 1HG PRO 22 -0.633 -0.368 4.262 156 2HG PRO 22 2HG PRO 22 -0.244 -1.186 5.810 157 1HD PRO 22 1HD PRO 22 -0.930 -2.590 3.600 158 2HD PRO 22 2HD PRO 22 -1.513 -3.093 5.209 159 H GLY 23 H GLY 23 -4.507 1.450 4.960 160 1HA GLY 23 1HA GLY 23 -4.855 3.413 3.753 161 2HA GLY 23 2HA GLY 23 -5.799 2.246 2.839 162 H ALA 24 H ALA 24 -2.412 3.377 3.000 163 HA ALA 24 HA ALA 24 -2.511 4.419 0.265 164 1HB ALA 24 1HB ALA 24 -0.256 4.277 2.306 165 2HB ALA 24 2HB ALA 24 -0.223 5.201 0.789 166 3HB ALA 24 3HB ALA 24 -1.375 5.635 2.064 167 H CYS 25 H CYS 25 -1.732 1.332 1.497 168 HA CYS 25 HA CYS 25 0.183 0.635 -0.638 169 1HB CYS 25 1HB CYS 25 -1.031 -0.890 1.670 170 2HB CYS 25 2HB CYS 25 -0.268 -1.717 0.338 171 H ILE 26 H ILE 26 -0.159 -1.235 -1.858 172 HA ILE 26 HA ILE 26 -2.845 -2.229 -2.608 173 HB ILE 26 HB ILE 26 -2.000 -2.438 -4.962 174 1HG1 ILE 26 1HG1 ILE 26 0.090 -0.345 -4.319 175 2HG1 ILE 26 2HG1 ILE 26 0.479 -2.057 -4.273 176 1HG2 ILE 26 1HG2 ILE 26 -3.599 -0.683 -4.300 177 2HG2 ILE 26 2HG2 ILE 26 -2.258 0.431 -3.968 178 3HG2 ILE 26 3HG2 ILE 26 -2.558 -0.143 -5.623 179 1HD1 ILE 26 1HD1 ILE 26 -0.613 -0.658 -6.738 180 2HD1 ILE 26 2HD1 ILE 26 1.087 -1.035 -6.426 181 3HD1 ILE 26 3HD1 ILE 26 -0.078 -2.359 -6.602 182 H CYS 27 H CYS 27 -2.492 -4.424 -3.711 183 HA CYS 27 HA CYS 27 -0.264 -5.896 -2.385 184 1HB CYS 27 1HB CYS 27 -2.568 -6.771 -2.320 185 2HB CYS 27 2HB CYS 27 -2.529 -6.995 -4.078 186 H ARG 28 H ARG 28 1.583 -5.638 -3.393 187 HA ARG 28 HA ARG 28 1.897 -4.740 -6.130 188 1HB ARG 28 1HB ARG 28 3.917 -5.819 -4.109 189 2HB ARG 28 2HB ARG 28 4.344 -4.965 -5.579 190 1HG ARG 28 1HG ARG 28 2.688 -3.719 -3.336 191 2HG ARG 28 2HG ARG 28 4.440 -3.643 -3.406 192 1HD ARG 28 1HD ARG 28 2.631 -2.569 -5.600 193 2HD ARG 28 2HD ARG 28 3.246 -1.605 -4.251 194 HE ARG 28 HE ARG 28 5.418 -2.935 -5.595 195 1HH1 ARG 28 1HH1 ARG 28 6.730 -1.973 -7.072 196 2HH1 ARG 28 2HH1 ARG 28 6.349 -0.378 -7.653 197 1HH2 ARG 28 1HH2 ARG 28 3.504 -0.004 -5.792 198 2HH2 ARG 28 2HH2 ARG 28 4.544 0.669 -7.020 199 H GLY 29 H GLY 29 3.483 -5.844 -7.541 200 1HA GLY 29 1HA GLY 29 3.819 -7.533 -9.134 201 2HA GLY 29 2HA GLY 29 2.407 -8.359 -8.475 202 H ASN 30 H ASN 30 4.937 -7.668 -6.283 203 HA ASN 30 HA ASN 30 6.310 -10.270 -6.432 204 1HB ASN 30 1HB ASN 30 7.586 -9.432 -4.501 205 2HB ASN 30 2HB ASN 30 7.583 -8.302 -5.850 206 2HD2 ASN 30 2HD2 ASN 30 7.911 -6.360 -4.722 207 1HD2 ASN 30 1HD2 ASN 30 6.773 -5.805 -3.495 208 H GLY 31 H GLY 31 3.328 -9.356 -5.099 209 1HA GLY 31 1HA GLY 31 3.122 -11.915 -3.631 210 2HA GLY 31 2HA GLY 31 1.816 -10.825 -4.070 211 H TYR 32 H TYR 32 3.704 -8.629 -2.713 212 HA TYR 32 HA TYR 32 2.549 -8.974 0.025 213 1HB TYR 32 1HB TYR 32 5.311 -8.055 -0.777 214 2HB TYR 32 2HB TYR 32 4.642 -7.739 0.803 215 HD1 TYR 32 HD1 TYR 32 5.622 -10.548 -1.503 216 HD2 TYR 32 HD2 TYR 32 4.948 -9.247 2.545 217 HE1 TYR 32 HE1 TYR 32 6.640 -12.654 -0.661 218 HE2 TYR 32 HE2 TYR 32 6.037 -11.327 3.398 219 HH TYR 32 HH TYR 32 7.266 -13.860 1.180 220 H CYS 33 H CYS 33 2.392 -6.912 1.207 221 HA CYS 33 HA CYS 33 1.101 -4.900 -0.388 222 1HB CYS 33 1HB CYS 33 1.963 -4.936 2.526 223 2HB CYS 33 2HB CYS 33 0.917 -3.711 1.805 224 H GLY 34 H GLY 34 1.701 -2.873 -1.026 225 1HA GLY 34 1HA GLY 34 4.331 -2.078 -1.616 226 2HA GLY 34 2HA GLY 34 3.956 -1.398 -0.023 No H/Q in entry = 226 Start of MODEL 23 1 H SER 1 H SER 1 4.537 0.684 -1.072 2 HA SER 1 HA SER 1 2.076 2.127 -0.976 3 1HB SER 1 1HB SER 1 3.506 4.011 -1.926 4 2HB SER 1 2HB SER 1 3.993 3.304 -0.383 5 HG SER 1 HG SER 1 5.122 2.665 -2.925 6 H GLY 2 H GLY 2 0.768 3.026 -2.460 7 1HA GLY 2 1HA GLY 2 -0.338 1.957 -4.549 8 2HA GLY 2 2HA GLY 2 1.138 2.443 -5.376 9 H SER 3 H SER 3 -1.541 3.731 -3.384 10 HA SER 3 HA SER 3 -2.071 5.894 -5.247 11 1HB SER 3 1HB SER 3 -3.250 5.274 -2.518 12 2HB SER 3 2HB SER 3 -3.852 6.506 -3.640 13 HG SER 3 HG SER 3 -4.252 4.837 -5.157 14 H ASP 4 H ASP 4 -0.490 7.378 -5.364 15 HA ASP 4 HA ASP 4 1.181 8.375 -3.365 16 1HB ASP 4 1HB ASP 4 1.486 8.549 -5.822 17 2HB ASP 4 2HB ASP 4 0.210 9.765 -5.891 18 H GLY 5 H GLY 5 -2.120 9.319 -3.900 19 1HA GLY 5 1HA GLY 5 -3.480 10.982 -3.011 20 2HA GLY 5 2HA GLY 5 -2.053 11.893 -2.538 21 H GLY 6 H GLY 6 -1.681 8.858 -1.179 22 1HA GLY 6 1HA GLY 6 -3.205 8.195 0.856 23 2HA GLY 6 2HA GLY 6 -2.680 9.754 1.488 24 H VAL 7 H VAL 7 -2.182 7.653 3.012 25 HA VAL 7 HA VAL 7 0.795 7.393 2.927 26 HB VAL 7 HB VAL 7 0.694 7.146 5.370 27 1HG1 VAL 7 1HG1 VAL 7 1.181 9.318 4.299 28 2HG1 VAL 7 2HG1 VAL 7 -0.546 9.732 4.346 29 3HG1 VAL 7 3HG1 VAL 7 0.359 9.512 5.855 30 1HG2 VAL 7 1HG2 VAL 7 -1.656 6.414 5.694 31 2HG2 VAL 7 2HG2 VAL 7 -1.271 7.851 6.644 32 3HG2 VAL 7 3HG2 VAL 7 -2.226 8.012 5.160 33 H CYS 8 H CYS 8 1.799 5.528 3.171 34 HA CYS 8 HA CYS 8 0.244 3.008 3.571 35 1HB CYS 8 1HB CYS 8 0.551 3.131 1.218 36 2HB CYS 8 2HB CYS 8 2.236 3.637 1.389 37 HA PRO 9 HA PRO 9 3.695 2.552 6.597 38 1HB PRO 9 1HB PRO 9 1.888 0.218 7.252 39 2HB PRO 9 2HB PRO 9 2.758 1.323 8.356 40 1HG PRO 9 1HG PRO 9 0.091 1.601 7.934 41 2HG PRO 9 2HG PRO 9 1.148 3.048 8.015 42 1HD PRO 9 1HD PRO 9 0.087 1.638 5.551 43 2HD PRO 9 2HD PRO 9 0.149 3.389 5.912 44 H LYS 10 H LYS 10 5.424 1.748 5.480 45 HA LYS 10 HA LYS 10 5.138 -0.344 3.465 46 1HB LYS 10 1HB LYS 10 7.595 1.215 4.356 47 2HB LYS 10 2HB LYS 10 7.519 0.092 2.988 48 1HG LYS 10 1HG LYS 10 5.613 1.497 2.050 49 2HG LYS 10 2HG LYS 10 6.003 2.707 3.289 50 1HD LYS 10 1HD LYS 10 8.303 2.895 2.389 51 2HD LYS 10 2HD LYS 10 7.925 1.657 1.168 52 1HE LYS 10 1HE LYS 10 6.066 3.109 0.324 53 2HE LYS 10 2HE LYS 10 6.550 4.365 1.472 54 1HZ LYS 10 1HZ LYS 10 8.717 4.451 0.335 55 2HZ LYS 10 2HZ LYS 10 8.247 3.289 -0.720 56 3HZ LYS 10 3HZ LYS 10 7.509 4.737 -0.729 57 H ILE 11 H ILE 11 4.365 -1.723 5.369 58 HA ILE 11 HA ILE 11 6.464 -3.486 6.490 59 HB ILE 11 HB ILE 11 4.413 -4.848 7.210 60 1HG1 ILE 11 1HG1 ILE 11 2.295 -3.790 7.483 61 2HG1 ILE 11 2HG1 ILE 11 2.834 -2.284 6.764 62 1HG2 ILE 11 1HG2 ILE 11 5.762 -3.446 8.702 63 2HG2 ILE 11 2HG2 ILE 11 4.780 -2.026 8.286 64 3HG2 ILE 11 3HG2 ILE 11 4.052 -3.396 9.152 65 1HD1 ILE 11 1HD1 ILE 11 2.664 -4.894 5.211 66 2HD1 ILE 11 2HD1 ILE 11 1.332 -3.722 5.322 67 3HD1 ILE 11 3HD1 ILE 11 2.853 -3.252 4.553 68 H LEU 12 H LEU 12 6.114 -5.854 6.105 69 HA LEU 12 HA LEU 12 6.307 -6.433 3.233 70 1HB LEU 12 1HB LEU 12 6.676 -8.046 5.771 71 2HB LEU 12 2HB LEU 12 6.455 -8.881 4.249 72 HG LEU 12 HG LEU 12 8.796 -8.684 4.850 73 1HD1 LEU 12 1HD1 LEU 12 8.127 -8.832 2.466 74 2HD1 LEU 12 2HD1 LEU 12 8.203 -7.061 2.346 75 3HD1 LEU 12 3HD1 LEU 12 9.666 -7.992 2.709 76 1HD2 LEU 12 1HD2 LEU 12 8.754 -6.480 5.986 77 2HD2 LEU 12 2HD2 LEU 12 10.031 -6.608 4.765 78 3HD2 LEU 12 3HD2 LEU 12 8.560 -5.685 4.407 79 H LYS 13 H LYS 13 4.358 -8.052 5.667 80 HA LYS 13 HA LYS 13 2.443 -9.341 5.526 81 1HB LYS 13 1HB LYS 13 1.826 -7.028 6.166 82 2HB LYS 13 2HB LYS 13 1.389 -6.696 4.486 83 1HG LYS 13 1HG LYS 13 -0.319 -8.521 4.592 84 2HG LYS 13 2HG LYS 13 0.108 -8.813 6.279 85 1HD LYS 13 1HD LYS 13 -0.999 -6.215 5.117 86 2HD LYS 13 2HD LYS 13 -1.945 -7.415 5.989 87 1HE LYS 13 1HE LYS 13 0.364 -5.805 7.175 88 2HE LYS 13 2HE LYS 13 -1.348 -5.416 7.349 89 1HZ LYS 13 1HZ LYS 13 -1.667 -7.549 8.484 90 2HZ LYS 13 2HZ LYS 13 -0.074 -7.903 8.361 91 3HZ LYS 13 3HZ LYS 13 -0.564 -6.642 9.271 92 H LYS 14 H LYS 14 2.849 -10.963 4.044 93 HA LYS 14 HA LYS 14 2.459 -10.817 1.241 94 1HB LYS 14 1HB LYS 14 2.130 -13.214 1.232 95 2HB LYS 14 2HB LYS 14 3.558 -12.713 2.128 96 1HG LYS 14 1HG LYS 14 2.357 -13.088 4.284 97 2HG LYS 14 2HG LYS 14 0.912 -13.564 3.385 98 1HD LYS 14 1HD LYS 14 2.040 -15.549 4.138 99 2HD LYS 14 2HD LYS 14 2.159 -15.462 2.374 100 1HE LYS 14 1HE LYS 14 4.477 -14.580 2.577 101 2HE LYS 14 2HE LYS 14 4.342 -14.616 4.342 102 1HZ LYS 14 1HZ LYS 14 4.200 -17.000 2.569 103 2HZ LYS 14 2HZ LYS 14 5.481 -16.584 3.489 104 3HZ LYS 14 3HZ LYS 14 4.084 -17.037 4.199 105 H CYS 15 H CYS 15 0.854 -10.962 -0.045 106 HA CYS 15 HA CYS 15 -1.981 -11.001 0.981 107 1HB CYS 15 1HB CYS 15 -2.427 -8.911 -0.256 108 2HB CYS 15 2HB CYS 15 -1.255 -8.715 1.014 109 H ARG 16 H ARG 16 -3.598 -10.871 -0.616 110 HA ARG 16 HA ARG 16 -3.137 -12.446 -3.141 111 1HB ARG 16 1HB ARG 16 -5.658 -12.151 -1.472 112 2HB ARG 16 2HB ARG 16 -5.397 -13.297 -2.771 113 1HG ARG 16 1HG ARG 16 -4.029 -14.703 -1.455 114 2HG ARG 16 2HG ARG 16 -3.693 -13.466 -0.242 115 1HD ARG 16 1HD ARG 16 -6.427 -14.688 -0.712 116 2HD ARG 16 2HD ARG 16 -5.285 -15.167 0.558 117 HE ARG 16 HE ARG 16 -5.715 -12.340 0.768 118 1HH1 ARG 16 1HH1 ARG 16 -7.529 -15.287 1.330 119 2HH1 ARG 16 2HH1 ARG 16 -8.558 -14.525 2.517 120 1HH2 ARG 16 1HH2 ARG 16 -7.029 -11.445 2.278 121 2HH2 ARG 16 2HH2 ARG 16 -8.281 -12.407 3.038 122 H ARG 17 H ARG 17 -4.546 -9.619 -1.706 123 HA ARG 17 HA ARG 17 -5.364 -8.364 -4.253 124 1HB ARG 17 1HB ARG 17 -7.687 -7.958 -3.411 125 2HB ARG 17 2HB ARG 17 -7.352 -9.652 -3.769 126 1HG ARG 17 1HG ARG 17 -7.018 -10.091 -1.327 127 2HG ARG 17 2HG ARG 17 -7.425 -8.410 -0.975 128 1HD ARG 17 1HD ARG 17 -9.238 -10.389 -2.421 129 2HD ARG 17 2HD ARG 17 -9.295 -10.078 -0.681 130 HE ARG 17 HE ARG 17 -9.621 -7.553 -1.639 131 1HH1 ARG 17 1HH1 ARG 17 -11.410 -6.522 -1.964 132 2HH1 ARG 17 2HH1 ARG 17 -12.858 -7.332 -2.531 133 1HH2 ARG 17 1HH2 ARG 17 -11.391 -10.458 -2.498 134 2HH2 ARG 17 2HH2 ARG 17 -12.845 -9.542 -2.808 135 H ASP 18 H ASP 18 -6.162 -6.108 -3.852 136 HA ASP 18 HA ASP 18 -4.220 -4.732 -2.219 137 1HB ASP 18 1HB ASP 18 -6.751 -3.632 -3.500 138 2HB ASP 18 2HB ASP 18 -5.380 -2.686 -2.902 139 H SER 19 H SER 19 -7.419 -5.849 -1.544 140 HA SER 19 HA SER 19 -8.093 -4.181 0.705 141 1HB SER 19 1HB SER 19 -9.016 -7.040 0.345 142 2HB SER 19 2HB SER 19 -9.874 -5.696 1.107 143 HG SER 19 HG SER 19 -9.934 -4.699 -1.011 144 H ASP 20 H ASP 20 -5.871 -6.779 0.395 145 HA ASP 20 HA ASP 20 -5.770 -7.612 3.216 146 1HB ASP 20 1HB ASP 20 -3.965 -8.019 0.826 147 2HB ASP 20 2HB ASP 20 -3.555 -8.671 2.375 148 H CYS 21 H CYS 21 -4.623 -4.831 1.549 149 HA CYS 21 HA CYS 21 -2.356 -4.440 3.438 150 1HB CYS 21 1HB CYS 21 -2.882 -3.239 0.702 151 2HB CYS 21 2HB CYS 21 -1.447 -2.979 1.697 152 HA PRO 22 HA PRO 22 -4.476 -1.060 5.292 153 1HB PRO 22 1HB PRO 22 -2.464 0.335 6.503 154 2HB PRO 22 2HB PRO 22 -2.905 -1.333 6.971 155 1HG PRO 22 1HG PRO 22 -0.687 -0.454 5.098 156 2HG PRO 22 2HG PRO 22 -0.574 -1.585 6.482 157 1HD PRO 22 1HD PRO 22 -0.886 -2.457 3.914 158 2HD PRO 22 2HD PRO 22 -1.664 -3.296 5.290 159 H GLY 23 H GLY 23 -4.786 1.233 5.398 160 1HA GLY 23 1HA GLY 23 -3.575 3.409 4.447 161 2HA GLY 23 2HA GLY 23 -5.319 3.227 4.348 162 H ALA 24 H ALA 24 -2.550 3.864 2.633 163 HA ALA 24 HA ALA 24 -3.944 3.790 0.018 164 1HB ALA 24 1HB ALA 24 -3.054 5.906 0.997 165 2HB ALA 24 2HB ALA 24 -2.354 5.517 -0.579 166 3HB ALA 24 3HB ALA 24 -1.406 5.229 0.880 167 H CYS 25 H CYS 25 -2.080 1.556 1.503 168 HA CYS 25 HA CYS 25 -0.065 0.984 -0.488 169 1HB CYS 25 1HB CYS 25 -1.384 -0.879 1.502 170 2HB CYS 25 2HB CYS 25 0.134 -1.145 0.657 171 H ILE 26 H ILE 26 -0.062 -1.091 -1.587 172 HA ILE 26 HA ILE 26 -2.627 -2.198 -2.617 173 HB ILE 26 HB ILE 26 -1.560 -2.351 -4.887 174 1HG1 ILE 26 1HG1 ILE 26 0.367 -0.178 -4.019 175 2HG1 ILE 26 2HG1 ILE 26 0.825 -1.872 -3.961 176 1HG2 ILE 26 1HG2 ILE 26 -3.290 -0.674 -4.346 177 2HG2 ILE 26 2HG2 ILE 26 -2.034 0.490 -3.888 178 3HG2 ILE 26 3HG2 ILE 26 -2.163 -0.075 -5.566 179 1HD1 ILE 26 1HD1 ILE 26 -0.122 -0.502 -6.505 180 2HD1 ILE 26 2HD1 ILE 26 1.564 -0.746 -6.037 181 3HD1 ILE 26 3HD1 ILE 26 0.528 -2.161 -6.330 182 H CYS 27 H CYS 27 -2.268 -4.308 -3.658 183 HA CYS 27 HA CYS 27 -0.119 -5.883 -2.329 184 1HB CYS 27 1HB CYS 27 -2.452 -6.684 -2.281 185 2HB CYS 27 2HB CYS 27 -2.436 -6.834 -4.046 186 H ARG 28 H ARG 28 1.735 -5.690 -3.329 187 HA ARG 28 HA ARG 28 2.125 -4.793 -6.055 188 1HB ARG 28 1HB ARG 28 4.046 -5.970 -3.986 189 2HB ARG 28 2HB ARG 28 4.558 -5.178 -5.463 190 1HG ARG 28 1HG ARG 28 2.997 -3.824 -3.211 191 2HG ARG 28 2HG ARG 28 4.744 -3.768 -3.403 192 1HD ARG 28 1HD ARG 28 2.743 -2.720 -5.433 193 2HD ARG 28 2HD ARG 28 3.586 -1.732 -4.245 194 HE ARG 28 HE ARG 28 5.740 -2.421 -5.318 195 1HH1 ARG 28 1HH1 ARG 28 6.862 -2.292 -7.188 196 2HH1 ARG 28 2HH1 ARG 28 6.021 -2.270 -8.712 197 1HH2 ARG 28 1HH2 ARG 28 2.883 -2.470 -7.366 198 2HH2 ARG 28 2HH2 ARG 28 3.846 -2.385 -8.815 199 H GLY 29 H GLY 29 3.748 -6.008 -7.405 200 1HA GLY 29 1HA GLY 29 3.888 -7.639 -9.074 201 2HA GLY 29 2HA GLY 29 2.371 -8.307 -8.473 202 H ASN 30 H ASN 30 4.944 -8.073 -6.218 203 HA ASN 30 HA ASN 30 5.916 -10.844 -6.538 204 1HB ASN 30 1HB ASN 30 7.487 -10.338 -4.856 205 2HB ASN 30 2HB ASN 30 7.405 -8.913 -5.889 206 2HD2 ASN 30 2HD2 ASN 30 8.398 -9.027 -3.138 207 1HD2 ASN 30 1HD2 ASN 30 7.332 -7.963 -2.229 208 H GLY 31 H GLY 31 3.134 -9.575 -5.105 209 1HA GLY 31 1HA GLY 31 2.636 -12.074 -3.616 210 2HA GLY 31 2HA GLY 31 1.484 -10.795 -3.976 211 H TYR 32 H TYR 32 3.416 -8.741 -2.801 212 HA TYR 32 HA TYR 32 2.639 -9.065 0.065 213 1HB TYR 32 1HB TYR 32 5.315 -8.321 -1.105 214 2HB TYR 32 2HB TYR 32 4.893 -7.889 0.527 215 HD1 TYR 32 HD1 TYR 32 5.001 -9.477 2.318 216 HD2 TYR 32 HD2 TYR 32 5.619 -10.749 -1.747 217 HE1 TYR 32 HE1 TYR 32 5.995 -11.603 3.146 218 HE2 TYR 32 HE2 TYR 32 6.557 -12.909 -0.923 219 HH TYR 32 HH TYR 32 7.035 -13.562 2.561 220 H CYS 33 H CYS 33 2.708 -6.908 1.250 221 HA CYS 33 HA CYS 33 1.259 -4.964 -0.368 222 1HB CYS 33 1HB CYS 33 2.171 -4.960 2.519 223 2HB CYS 33 2HB CYS 33 1.177 -3.698 1.792 224 H GLY 34 H GLY 34 1.782 -2.755 -0.703 225 1HA GLY 34 1HA GLY 34 4.371 -1.989 -1.495 226 2HA GLY 34 2HA GLY 34 4.196 -1.484 0.195 No H/Q in entry = 226 Start of MODEL 24 1 H SER 1 H SER 1 4.668 0.387 -1.200 2 HA SER 1 HA SER 1 2.292 1.988 -1.445 3 1HB SER 1 1HB SER 1 3.874 3.761 -2.171 4 2HB SER 1 2HB SER 1 4.338 2.962 -0.663 5 HG SER 1 HG SER 1 5.458 2.597 -3.253 6 H GLY 2 H GLY 2 1.192 2.728 -3.202 7 1HA GLY 2 1HA GLY 2 0.294 2.391 -5.397 8 2HA GLY 2 2HA GLY 2 1.798 1.635 -5.908 9 H SER 3 H SER 3 1.088 3.301 -7.685 10 HA SER 3 HA SER 3 3.153 5.243 -7.864 11 1HB SER 3 1HB SER 3 2.031 5.895 -9.977 12 2HB SER 3 2HB SER 3 2.273 4.148 -9.816 13 HG SER 3 HG SER 3 0.155 4.676 -10.559 14 H ASP 4 H ASP 4 0.000 5.598 -6.510 15 HA ASP 4 HA ASP 4 -0.297 8.465 -6.678 16 1HB ASP 4 1HB ASP 4 -2.009 8.139 -4.966 17 2HB ASP 4 2HB ASP 4 -2.171 6.954 -6.256 18 H GLY 5 H GLY 5 1.756 6.492 -4.660 19 1HA GLY 5 1HA GLY 5 3.138 8.745 -3.586 20 2HA GLY 5 2HA GLY 5 3.371 7.062 -3.131 21 H GLY 6 H GLY 6 0.286 7.221 -2.292 22 1HA GLY 6 1HA GLY 6 -0.950 7.665 -0.423 23 2HA GLY 6 2HA GLY 6 0.159 8.973 -0.018 24 H VAL 7 H VAL 7 -0.810 7.836 2.046 25 HA VAL 7 HA VAL 7 1.364 6.876 3.582 26 HB VAL 7 HB VAL 7 -1.591 6.728 4.287 27 1HG1 VAL 7 1HG1 VAL 7 0.913 6.699 6.045 28 2HG1 VAL 7 2HG1 VAL 7 -0.760 6.813 6.631 29 3HG1 VAL 7 3HG1 VAL 7 -0.219 5.346 5.820 30 1HG2 VAL 7 1HG2 VAL 7 0.490 8.899 4.811 31 2HG2 VAL 7 2HG2 VAL 7 -0.933 9.042 3.755 32 3HG2 VAL 7 3HG2 VAL 7 -1.149 8.855 5.495 33 H CYS 8 H CYS 8 2.338 5.063 2.964 34 HA CYS 8 HA CYS 8 0.921 2.531 3.552 35 1HB CYS 8 1HB CYS 8 0.986 2.708 1.130 36 2HB CYS 8 2HB CYS 8 2.729 2.982 1.159 37 HA PRO 9 HA PRO 9 4.665 2.534 6.135 38 1HB PRO 9 1HB PRO 9 4.049 0.430 7.785 39 2HB PRO 9 2HB PRO 9 3.305 2.050 7.914 40 1HG PRO 9 1HG PRO 9 2.199 -0.390 6.492 41 2HG PRO 9 2HG PRO 9 1.367 0.673 7.670 42 1HD PRO 9 1HD PRO 9 1.071 0.980 5.000 43 2HD PRO 9 2HD PRO 9 1.149 2.410 6.073 44 H LYS 10 H LYS 10 3.804 0.179 3.854 45 HA LYS 10 HA LYS 10 4.866 -1.583 2.805 46 1HB LYS 10 1HB LYS 10 7.233 0.258 3.330 47 2HB LYS 10 2HB LYS 10 7.215 -1.039 2.136 48 1HG LYS 10 1HG LYS 10 5.455 0.024 0.865 49 2HG LYS 10 2HG LYS 10 5.294 1.325 2.046 50 1HD LYS 10 1HD LYS 10 7.849 0.755 0.485 51 2HD LYS 10 2HD LYS 10 6.609 1.917 -0.006 52 1HE LYS 10 1HE LYS 10 6.895 3.148 2.136 53 2HE LYS 10 2HE LYS 10 8.191 2.033 2.594 54 1HZ LYS 10 1HZ LYS 10 8.241 3.801 0.205 55 2HZ LYS 10 2HZ LYS 10 9.077 4.057 1.583 56 3HZ LYS 10 3HZ LYS 10 9.439 2.777 0.638 57 H ILE 11 H ILE 11 4.341 -2.411 5.168 58 HA ILE 11 HA ILE 11 6.644 -3.806 6.384 59 HB ILE 11 HB ILE 11 4.741 -4.866 7.813 60 1HG1 ILE 11 1HG1 ILE 11 2.821 -3.408 8.246 61 2HG1 ILE 11 2HG1 ILE 11 3.236 -2.369 6.894 62 1HG2 ILE 11 1HG2 ILE 11 6.443 -3.282 8.596 63 2HG2 ILE 11 2HG2 ILE 11 5.472 -1.915 8.008 64 3HG2 ILE 11 3HG2 ILE 11 4.877 -2.935 9.338 65 1HD1 ILE 11 1HD1 ILE 11 2.476 -5.300 6.663 66 2HD1 ILE 11 2HD1 ILE 11 1.346 -3.956 6.448 67 3HD1 ILE 11 3HD1 ILE 11 2.686 -4.162 5.308 68 H LEU 12 H LEU 12 6.657 -6.051 6.669 69 HA LEU 12 HA LEU 12 6.375 -7.417 4.092 70 1HB LEU 12 1HB LEU 12 7.566 -8.383 6.712 71 2HB LEU 12 2HB LEU 12 7.668 -9.227 5.167 72 HG LEU 12 HG LEU 12 8.879 -6.486 5.754 73 1HD1 LEU 12 1HD1 LEU 12 10.006 -8.341 6.929 74 2HD1 LEU 12 2HD1 LEU 12 10.180 -9.218 5.392 75 3HD1 LEU 12 3HD1 LEU 12 11.025 -7.673 5.644 76 1HD2 LEU 12 1HD2 LEU 12 9.083 -8.277 3.288 77 2HD2 LEU 12 2HD2 LEU 12 8.333 -6.663 3.368 78 3HD2 LEU 12 3HD2 LEU 12 10.075 -6.834 3.591 79 H LYS 13 H LYS 13 4.002 -7.109 4.380 80 HA LYS 13 HA LYS 13 2.658 -9.532 5.546 81 1HB LYS 13 1HB LYS 13 1.917 -7.396 6.409 82 2HB LYS 13 2HB LYS 13 1.561 -6.801 4.774 83 1HG LYS 13 1HG LYS 13 -0.217 -8.520 4.555 84 2HG LYS 13 2HG LYS 13 0.203 -9.153 6.165 85 1HD LYS 13 1HD LYS 13 -0.324 -6.883 7.141 86 2HD LYS 13 2HD LYS 13 -0.773 -6.328 5.525 87 1HE LYS 13 1HE LYS 13 -2.788 -6.832 6.649 88 2HE LYS 13 2HE LYS 13 -2.543 -8.095 5.442 89 1HZ LYS 13 1HZ LYS 13 -1.941 -8.368 8.346 90 2HZ LYS 13 2HZ LYS 13 -3.240 -9.008 7.594 91 3HZ LYS 13 3HZ LYS 13 -1.747 -9.554 7.233 92 H LYS 14 H LYS 14 2.604 -11.096 4.071 93 HA LYS 14 HA LYS 14 2.450 -10.716 1.227 94 1HB LYS 14 1HB LYS 14 2.089 -13.110 1.083 95 2HB LYS 14 2HB LYS 14 3.427 -12.730 2.159 96 1HG LYS 14 1HG LYS 14 1.924 -13.110 4.134 97 2HG LYS 14 2HG LYS 14 0.620 -13.564 3.017 98 1HD LYS 14 1HD LYS 14 2.017 -15.413 2.135 99 2HD LYS 14 2HD LYS 14 3.327 -14.955 3.247 100 1HE LYS 14 1HE LYS 14 1.818 -15.358 5.181 101 2HE LYS 14 2HE LYS 14 0.517 -15.819 4.074 102 1HZ LYS 14 1HZ LYS 14 3.113 -17.246 4.338 103 2HZ LYS 14 2HZ LYS 14 1.684 -17.769 4.927 104 3HZ LYS 14 3HZ LYS 14 1.909 -17.672 3.314 105 H CYS 15 H CYS 15 0.732 -10.911 -0.100 106 HA CYS 15 HA CYS 15 -2.058 -10.876 1.052 107 1HB CYS 15 1HB CYS 15 -2.525 -8.809 -0.247 108 2HB CYS 15 2HB CYS 15 -1.324 -8.602 0.994 109 H ARG 16 H ARG 16 -3.773 -10.866 -0.443 110 HA ARG 16 HA ARG 16 -3.365 -12.414 -2.991 111 1HB ARG 16 1HB ARG 16 -5.841 -12.123 -1.256 112 2HB ARG 16 2HB ARG 16 -5.634 -13.238 -2.592 113 1HG ARG 16 1HG ARG 16 -4.202 -14.672 -1.376 114 2HG ARG 16 2HG ARG 16 -3.845 -13.474 -0.130 115 1HD ARG 16 1HD ARG 16 -6.583 -14.704 -0.563 116 2HD ARG 16 2HD ARG 16 -5.397 -15.230 0.648 117 HE ARG 16 HE ARG 16 -5.836 -12.410 0.977 118 1HH1 ARG 16 1HH1 ARG 16 -7.073 -11.589 2.584 119 2HH1 ARG 16 2HH1 ARG 16 -8.291 -12.583 3.358 120 1HH2 ARG 16 1HH2 ARG 16 -7.610 -15.391 1.503 121 2HH2 ARG 16 2HH2 ARG 16 -8.587 -14.684 2.767 122 H ARG 17 H ARG 17 -4.704 -9.547 -1.579 123 HA ARG 17 HA ARG 17 -5.445 -8.327 -4.162 124 1HB ARG 17 1HB ARG 17 -7.452 -9.700 -3.057 125 2HB ARG 17 2HB ARG 17 -7.507 -8.308 -1.957 126 1HG ARG 17 1HG ARG 17 -8.020 -6.802 -3.755 127 2HG ARG 17 2HG ARG 17 -7.735 -8.071 -4.974 128 1HD ARG 17 1HD ARG 17 -9.638 -9.358 -4.059 129 2HD ARG 17 2HD ARG 17 -9.889 -8.113 -2.818 130 HE ARG 17 HE ARG 17 -9.963 -6.907 -5.426 131 1HH1 ARG 17 1HH1 ARG 17 -11.849 -6.242 -6.353 132 2HH1 ARG 17 2HH1 ARG 17 -13.367 -6.897 -5.800 133 1HH2 ARG 17 1HH2 ARG 17 -11.986 -8.933 -3.414 134 2HH2 ARG 17 2HH2 ARG 17 -13.453 -8.377 -4.181 135 H ASP 18 H ASP 18 -6.360 -6.100 -3.626 136 HA ASP 18 HA ASP 18 -4.303 -4.652 -2.098 137 1HB ASP 18 1HB ASP 18 -6.832 -3.541 -3.367 138 2HB ASP 18 2HB ASP 18 -5.417 -2.622 -2.830 139 H SER 19 H SER 19 -7.571 -5.728 -1.421 140 HA SER 19 HA SER 19 -8.117 -4.086 0.888 141 1HB SER 19 1HB SER 19 -9.898 -5.788 1.292 142 2HB SER 19 2HB SER 19 -9.933 -5.072 -0.328 143 HG SER 19 HG SER 19 -10.168 -7.401 -0.274 144 H ASP 20 H ASP 20 -6.063 -6.805 0.430 145 HA ASP 20 HA ASP 20 -5.955 -7.649 3.261 146 1HB ASP 20 1HB ASP 20 -4.262 -8.181 0.815 147 2HB ASP 20 2HB ASP 20 -3.683 -8.670 2.369 148 H CYS 21 H CYS 21 -4.794 -4.865 1.630 149 HA CYS 21 HA CYS 21 -2.440 -4.632 3.419 150 1HB CYS 21 1HB CYS 21 -3.044 -3.346 0.744 151 2HB CYS 21 2HB CYS 21 -1.559 -3.144 1.675 152 HA PRO 22 HA PRO 22 -3.764 -1.003 5.581 153 1HB PRO 22 1HB PRO 22 -1.096 0.217 4.896 154 2HB PRO 22 2HB PRO 22 -1.891 0.076 6.490 155 1HG PRO 22 1HG PRO 22 0.127 -1.602 5.807 156 2HG PRO 22 2HG PRO 22 -1.321 -2.225 6.664 157 1HD PRO 22 1HD PRO 22 -0.668 -2.381 3.718 158 2HD PRO 22 2HD PRO 22 -1.339 -3.624 4.812 159 H GLY 23 H GLY 23 -4.031 1.300 5.515 160 1HA GLY 23 1HA GLY 23 -3.914 3.478 4.431 161 2HA GLY 23 2HA GLY 23 -5.501 2.765 4.220 162 H ALA 24 H ALA 24 -2.459 3.559 2.627 163 HA ALA 24 HA ALA 24 -3.842 3.575 -0.022 164 1HB ALA 24 1HB ALA 24 -3.111 5.756 0.964 165 2HB ALA 24 2HB ALA 24 -2.374 5.383 -0.607 166 3HB ALA 24 3HB ALA 24 -1.432 5.166 0.877 167 H CYS 25 H CYS 25 -2.090 1.336 1.428 168 HA CYS 25 HA CYS 25 0.026 0.806 -0.511 169 1HB CYS 25 1HB CYS 25 -1.429 -1.034 1.407 170 2HB CYS 25 2HB CYS 25 0.035 -1.430 0.521 171 H ILE 26 H ILE 26 -0.035 -1.140 -1.768 172 HA ILE 26 HA ILE 26 -2.632 -2.225 -2.737 173 HB ILE 26 HB ILE 26 -1.579 -2.378 -5.035 174 1HG1 ILE 26 1HG1 ILE 26 0.211 -0.064 -4.258 175 2HG1 ILE 26 2HG1 ILE 26 0.778 -1.709 -4.052 176 1HG2 ILE 26 1HG2 ILE 26 -3.376 -0.772 -4.485 177 2HG2 ILE 26 2HG2 ILE 26 -2.160 0.443 -4.039 178 3HG2 ILE 26 3HG2 ILE 26 -2.277 -0.133 -5.714 179 1HD1 ILE 26 1HD1 ILE 26 -0.156 -0.529 -6.695 180 2HD1 ILE 26 2HD1 ILE 26 1.520 -0.806 -6.197 181 3HD1 ILE 26 3HD1 ILE 26 0.445 -2.197 -6.438 182 H CYS 27 H CYS 27 -2.320 -4.346 -3.754 183 HA CYS 27 HA CYS 27 -0.149 -5.924 -2.465 184 1HB CYS 27 1HB CYS 27 -2.481 -6.655 -2.326 185 2HB CYS 27 2HB CYS 27 -2.539 -6.863 -4.086 186 H ARG 28 H ARG 28 1.681 -5.688 -3.529 187 HA ARG 28 HA ARG 28 1.777 -4.971 -6.370 188 1HB ARG 28 1HB ARG 28 4.069 -5.387 -4.391 189 2HB ARG 28 2HB ARG 28 4.159 -4.609 -5.982 190 1HG ARG 28 1HG ARG 28 2.217 -3.106 -5.012 191 2HG ARG 28 2HG ARG 28 2.847 -3.607 -3.445 192 1HD ARG 28 1HD ARG 28 4.365 -2.163 -5.663 193 2HD ARG 28 2HD ARG 28 3.677 -1.438 -4.206 194 HE ARG 28 HE ARG 28 5.647 -3.585 -3.739 195 1HH1 ARG 28 1HH1 ARG 28 7.564 -3.087 -2.752 196 2HH1 ARG 28 2HH1 ARG 28 8.021 -1.422 -2.535 197 1HH2 ARG 28 1HH2 ARG 28 5.199 -0.100 -3.974 198 2HH2 ARG 28 2HH2 ARG 28 6.724 0.222 -3.198 199 H GLY 29 H GLY 29 3.727 -5.992 -7.574 200 1HA GLY 29 1HA GLY 29 4.148 -7.706 -9.101 201 2HA GLY 29 2HA GLY 29 2.705 -8.519 -8.500 202 H ASN 30 H ASN 30 5.079 -7.810 -6.167 203 HA ASN 30 HA ASN 30 6.474 -10.401 -6.192 204 1HB ASN 30 1HB ASN 30 7.633 -9.584 -4.257 205 2HB ASN 30 2HB ASN 30 7.578 -8.296 -5.459 206 2HD2 ASN 30 2HD2 ASN 30 8.202 -7.623 -2.874 207 1HD2 ASN 30 1HD2 ASN 30 6.824 -6.789 -2.162 208 H GLY 31 H GLY 31 3.374 -9.494 -5.140 209 1HA GLY 31 1HA GLY 31 3.010 -12.018 -3.645 210 2HA GLY 31 2HA GLY 31 1.759 -10.902 -4.183 211 H TYR 32 H TYR 32 3.553 -8.689 -2.821 212 HA TYR 32 HA TYR 32 2.477 -9.027 -0.049 213 1HB TYR 32 1HB TYR 32 5.237 -8.292 -0.991 214 2HB TYR 32 2HB TYR 32 4.661 -7.729 0.558 215 HD1 TYR 32 HD1 TYR 32 4.881 -9.034 2.456 216 HD2 TYR 32 HD2 TYR 32 5.328 -10.878 -1.395 217 HE1 TYR 32 HE1 TYR 32 5.857 -11.049 3.557 218 HE2 TYR 32 HE2 TYR 32 6.247 -12.926 -0.308 219 HH TYR 32 HH TYR 32 6.720 -13.151 3.237 220 H CYS 33 H CYS 33 2.233 -7.073 1.136 221 HA CYS 33 HA CYS 33 1.015 -4.944 -0.345 222 1HB CYS 33 1HB CYS 33 1.882 -5.163 2.561 223 2HB CYS 33 2HB CYS 33 0.858 -3.880 1.913 224 H GLY 34 H GLY 34 1.702 -2.903 -0.897 225 1HA GLY 34 1HA GLY 34 4.372 -2.243 -1.372 226 2HA GLY 34 2HA GLY 34 4.022 -1.614 0.242 No H/Q in entry = 226 Start of MODEL 25 1 H SER 1 H SER 1 4.461 0.482 -1.180 2 HA SER 1 HA SER 1 2.276 2.161 -1.283 3 1HB SER 1 1HB SER 1 4.970 2.553 -2.637 4 2HB SER 1 2HB SER 1 3.818 3.838 -2.221 5 HG SER 1 HG SER 1 5.614 3.329 -0.678 6 H GLY 2 H GLY 2 0.682 2.492 -2.661 7 1HA GLY 2 1HA GLY 2 -0.448 1.993 -4.828 8 2HA GLY 2 2HA GLY 2 1.105 2.229 -5.629 9 H SER 3 H SER 3 1.522 4.261 -6.373 10 HA SER 3 HA SER 3 1.368 6.597 -4.943 11 1HB SER 3 1HB SER 3 1.251 6.363 -7.970 12 2HB SER 3 2HB SER 3 1.832 7.758 -7.044 13 HG SER 3 HG SER 3 3.520 6.463 -6.229 14 H ASP 4 H ASP 4 -1.324 5.281 -6.754 15 HA ASP 4 HA ASP 4 -2.954 7.676 -6.864 16 1HB ASP 4 1HB ASP 4 -3.277 5.652 -8.274 17 2HB ASP 4 2HB ASP 4 -3.745 4.737 -6.839 18 H GLY 5 H GLY 5 -2.281 5.356 -4.333 19 1HA GLY 5 1HA GLY 5 -3.479 4.938 -2.291 20 2HA GLY 5 2HA GLY 5 -4.375 6.439 -2.494 21 H GLY 6 H GLY 6 -0.831 6.041 -2.809 22 1HA GLY 6 1HA GLY 6 -0.395 7.768 -0.395 23 2HA GLY 6 2HA GLY 6 0.248 8.248 -1.967 24 H VAL 7 H VAL 7 1.919 8.131 0.043 25 HA VAL 7 HA VAL 7 3.829 5.937 -0.451 26 HB VAL 7 HB VAL 7 3.901 8.189 1.612 27 1HG1 VAL 7 1HG1 VAL 7 6.059 6.222 0.698 28 2HG1 VAL 7 2HG1 VAL 7 6.324 7.623 1.757 29 3HG1 VAL 7 3HG1 VAL 7 5.319 6.285 2.314 30 1HG2 VAL 7 1HG2 VAL 7 5.306 7.895 -1.082 31 2HG2 VAL 7 2HG2 VAL 7 4.028 9.066 -0.692 32 3HG2 VAL 7 3HG2 VAL 7 5.599 9.185 0.104 33 H CYS 8 H CYS 8 3.431 3.984 0.418 34 HA CYS 8 HA CYS 8 1.878 3.703 2.899 35 1HB CYS 8 1HB CYS 8 1.618 2.167 0.901 36 2HB CYS 8 2HB CYS 8 3.235 1.563 1.252 37 HA PRO 9 HA PRO 9 5.839 3.233 5.227 38 1HB PRO 9 1HB PRO 9 4.792 3.022 7.738 39 2HB PRO 9 2HB PRO 9 4.908 4.573 6.861 40 1HG PRO 9 1HG PRO 9 2.494 2.748 7.072 41 2HG PRO 9 2HG PRO 9 2.573 4.516 7.358 42 1HD PRO 9 1HD PRO 9 1.756 3.457 4.984 43 2HD PRO 9 2HD PRO 9 2.708 4.976 5.033 44 H LYS 10 H LYS 10 5.676 1.330 3.788 45 HA LYS 10 HA LYS 10 4.307 -1.043 4.234 46 1HB LYS 10 1HB LYS 10 5.318 -0.226 2.141 47 2HB LYS 10 2HB LYS 10 6.931 -0.576 2.740 48 1HG LYS 10 1HG LYS 10 4.837 -2.771 2.583 49 2HG LYS 10 2HG LYS 10 5.619 -2.207 1.115 50 1HD LYS 10 1HD LYS 10 7.212 -3.301 3.461 51 2HD LYS 10 2HD LYS 10 6.633 -4.263 2.098 52 1HE LYS 10 1HE LYS 10 7.862 -2.789 0.523 53 2HE LYS 10 2HE LYS 10 8.466 -1.833 1.884 54 1HZ LYS 10 1HZ LYS 10 9.037 -4.719 1.443 55 2HZ LYS 10 2HZ LYS 10 10.086 -3.497 1.181 56 3HZ LYS 10 3HZ LYS 10 9.600 -3.832 2.701 57 H ILE 11 H ILE 11 4.645 -2.899 5.085 58 HA ILE 11 HA ILE 11 7.196 -3.738 6.324 59 HB ILE 11 HB ILE 11 5.882 -4.830 8.217 60 1HG1 ILE 11 1HG1 ILE 11 3.885 -3.658 9.042 61 2HG1 ILE 11 2HG1 ILE 11 3.770 -2.715 7.562 62 1HG2 ILE 11 1HG2 ILE 11 7.412 -2.905 8.473 63 2HG2 ILE 11 2HG2 ILE 11 6.052 -1.794 8.203 64 3HG2 ILE 11 3HG2 ILE 11 6.069 -2.859 9.622 65 1HD1 ILE 11 1HD1 ILE 11 3.568 -5.759 7.696 66 2HD1 ILE 11 2HD1 ILE 11 2.180 -4.651 7.711 67 3HD1 ILE 11 3HD1 ILE 11 3.217 -4.724 6.284 68 H LEU 12 H LEU 12 7.092 -6.182 6.825 69 HA LEU 12 HA LEU 12 6.472 -7.489 4.293 70 1HB LEU 12 1HB LEU 12 7.609 -8.581 6.890 71 2HB LEU 12 2HB LEU 12 7.471 -9.491 5.386 72 HG LEU 12 HG LEU 12 9.157 -6.972 5.745 73 1HD1 LEU 12 1HD1 LEU 12 10.022 -8.904 7.013 74 2HD1 LEU 12 2HD1 LEU 12 9.967 -9.901 5.542 75 3HD1 LEU 12 3HD1 LEU 12 11.069 -8.509 5.640 76 1HD2 LEU 12 1HD2 LEU 12 8.941 -8.938 3.418 77 2HD2 LEU 12 2HD2 LEU 12 8.467 -7.224 3.399 78 3HD2 LEU 12 3HD2 LEU 12 10.168 -7.662 3.570 79 H LYS 13 H LYS 13 4.254 -7.250 4.174 80 HA LYS 13 HA LYS 13 2.697 -9.403 5.573 81 1HB LYS 13 1HB LYS 13 2.116 -7.094 6.316 82 2HB LYS 13 2HB LYS 13 1.592 -6.714 4.666 83 1HG LYS 13 1HG LYS 13 -0.091 -8.556 4.816 84 2HG LYS 13 2HG LYS 13 0.495 -8.939 6.449 85 1HD LYS 13 1HD LYS 13 -0.080 -6.527 7.089 86 2HD LYS 13 2HD LYS 13 -0.919 -6.395 5.536 87 1HE LYS 13 1HE LYS 13 -1.507 -8.415 7.758 88 2HE LYS 13 2HE LYS 13 -2.430 -6.945 7.437 89 1HZ LYS 13 1HZ LYS 13 -2.974 -7.842 5.239 90 2HZ LYS 13 2HZ LYS 13 -2.178 -9.240 5.566 91 3HZ LYS 13 3HZ LYS 13 -3.511 -8.840 6.424 92 H LYS 14 H LYS 14 2.397 -10.995 4.196 93 HA LYS 14 HA LYS 14 2.442 -10.829 1.328 94 1HB LYS 14 1HB LYS 14 1.455 -12.991 3.242 95 2HB LYS 14 2HB LYS 14 1.511 -13.175 1.484 96 1HG LYS 14 1HG LYS 14 3.941 -12.785 1.481 97 2HG LYS 14 2HG LYS 14 3.925 -12.610 3.252 98 1HD LYS 14 1HD LYS 14 3.096 -14.929 3.480 99 2HD LYS 14 2HD LYS 14 3.102 -15.110 1.709 100 1HE LYS 14 1HE LYS 14 5.540 -14.664 1.667 101 2HE LYS 14 2HE LYS 14 5.546 -14.463 3.422 102 1HZ LYS 14 1HZ LYS 14 4.832 -16.975 2.001 103 2HZ LYS 14 2HZ LYS 14 6.235 -16.701 2.787 104 3HZ LYS 14 3HZ LYS 14 4.837 -16.789 3.626 105 H CYS 15 H CYS 15 0.814 -10.922 -0.096 106 HA CYS 15 HA CYS 15 -2.050 -10.869 0.806 107 1HB CYS 15 1HB CYS 15 -2.533 -8.864 -0.483 108 2HB CYS 15 2HB CYS 15 -1.308 -8.545 0.704 109 H ARG 16 H ARG 16 -3.597 -10.862 -0.894 110 HA ARG 16 HA ARG 16 -2.861 -12.040 -3.551 111 1HB ARG 16 1HB ARG 16 -3.806 -13.750 -2.001 112 2HB ARG 16 2HB ARG 16 -5.253 -12.759 -1.796 113 1HG ARG 16 1HG ARG 16 -5.797 -13.033 -4.195 114 2HG ARG 16 2HG ARG 16 -4.297 -13.958 -4.438 115 1HD ARG 16 1HD ARG 16 -5.111 -15.681 -2.862 116 2HD ARG 16 2HD ARG 16 -6.584 -14.728 -2.574 117 HE ARG 16 HE ARG 16 -6.284 -15.241 -5.389 118 1HH1 ARG 16 1HH1 ARG 16 -7.567 -16.684 -6.450 119 2HH1 ARG 16 2HH1 ARG 16 -8.407 -17.922 -5.555 120 1HH2 ARG 16 1HH2 ARG 16 -7.222 -16.957 -2.487 121 2HH2 ARG 16 2HH2 ARG 16 -8.227 -18.078 -3.371 122 H ARG 17 H ARG 17 -4.741 -9.737 -1.714 123 HA ARG 17 HA ARG 17 -5.548 -8.310 -4.191 124 1HB ARG 17 1HB ARG 17 -7.864 -7.995 -3.349 125 2HB ARG 17 2HB ARG 17 -7.509 -9.661 -3.812 126 1HG ARG 17 1HG ARG 17 -7.243 -10.286 -1.429 127 2HG ARG 17 2HG ARG 17 -7.558 -8.615 -0.940 128 1HD ARG 17 1HD ARG 17 -9.485 -10.442 -2.438 129 2HD ARG 17 2HD ARG 17 -9.535 -10.099 -0.712 130 HE ARG 17 HE ARG 17 -10.010 -7.714 -1.239 131 1HH1 ARG 17 1HH1 ARG 17 -11.300 -6.375 -2.165 132 2HH1 ARG 17 2HH1 ARG 17 -12.161 -6.782 -3.639 133 1HH2 ARG 17 1HH2 ARG 17 -10.756 -9.927 -3.862 134 2HH2 ARG 17 2HH2 ARG 17 -11.840 -8.766 -4.587 135 H ASP 18 H ASP 18 -6.488 -6.120 -3.653 136 HA ASP 18 HA ASP 18 -4.533 -4.771 -2.008 137 1HB ASP 18 1HB ASP 18 -7.103 -3.599 -3.120 138 2HB ASP 18 2HB ASP 18 -5.647 -2.724 -2.613 139 H SER 19 H SER 19 -7.648 -6.051 -1.280 140 HA SER 19 HA SER 19 -8.299 -4.499 1.076 141 1HB SER 19 1HB SER 19 -9.088 -7.381 0.550 142 2HB SER 19 2HB SER 19 -9.925 -6.197 1.561 143 HG SER 19 HG SER 19 -10.325 -4.967 -0.355 144 H ASP 20 H ASP 20 -5.946 -6.931 0.538 145 HA ASP 20 HA ASP 20 -5.619 -7.892 3.297 146 1HB ASP 20 1HB ASP 20 -3.873 -7.955 0.826 147 2HB ASP 20 2HB ASP 20 -3.416 -8.771 2.274 148 H CYS 21 H CYS 21 -4.844 -4.932 1.772 149 HA CYS 21 HA CYS 21 -2.424 -4.475 3.454 150 1HB CYS 21 1HB CYS 21 -3.238 -3.338 0.754 151 2HB CYS 21 2HB CYS 21 -1.733 -3.004 1.598 152 HA PRO 22 HA PRO 22 -4.318 -0.811 5.212 153 1HB PRO 22 1HB PRO 22 -2.171 0.819 5.694 154 2HB PRO 22 2HB PRO 22 -2.466 -0.696 6.600 155 1HG PRO 22 1HG PRO 22 -0.663 -0.292 4.198 156 2HG PRO 22 2HG PRO 22 -0.250 -1.068 5.760 157 1HD PRO 22 1HD PRO 22 -0.970 -2.536 3.597 158 2HD PRO 22 2HD PRO 22 -1.519 -2.996 5.233 159 H GLY 23 H GLY 23 -4.572 1.522 4.867 160 1HA GLY 23 1HA GLY 23 -4.981 3.416 3.595 161 2HA GLY 23 2HA GLY 23 -5.807 2.190 2.635 162 H ALA 24 H ALA 24 -2.470 3.377 3.029 163 HA ALA 24 HA ALA 24 -2.362 4.424 0.295 164 1HB ALA 24 1HB ALA 24 -0.261 4.266 2.490 165 2HB ALA 24 2HB ALA 24 -0.116 5.189 0.976 166 3HB ALA 24 3HB ALA 24 -1.352 5.631 2.162 167 H CYS 25 H CYS 25 -1.600 1.342 1.627 168 HA CYS 25 HA CYS 25 0.293 0.601 -0.521 169 1HB CYS 25 1HB CYS 25 -0.924 -0.881 1.810 170 2HB CYS 25 2HB CYS 25 -0.212 -1.742 0.470 171 H ILE 26 H ILE 26 -0.135 -1.169 -1.826 172 HA ILE 26 HA ILE 26 -2.894 -2.101 -2.437 173 HB ILE 26 HB ILE 26 -2.189 -2.247 -4.843 174 1HG1 ILE 26 1HG1 ILE 26 -0.056 -0.181 -4.293 175 2HG1 ILE 26 2HG1 ILE 26 0.336 -1.883 -4.204 176 1HG2 ILE 26 1HG2 ILE 26 -3.707 -0.472 -4.032 177 2HG2 ILE 26 2HG2 ILE 26 -2.318 0.595 -3.747 178 3HG2 ILE 26 3HG2 ILE 26 -2.725 0.081 -5.396 179 1HD1 ILE 26 1HD1 ILE 26 -0.958 -0.717 -6.681 180 2HD1 ILE 26 2HD1 ILE 26 0.786 -0.757 -6.426 181 3HD1 ILE 26 3HD1 ILE 26 -0.112 -2.290 -6.475 182 H CYS 27 H CYS 27 -2.664 -4.262 -3.658 183 HA CYS 27 HA CYS 27 -0.501 -5.873 -2.433 184 1HB CYS 27 1HB CYS 27 -2.801 -6.699 -2.466 185 2HB CYS 27 2HB CYS 27 -2.777 -6.748 -4.238 186 H ARG 28 H ARG 28 1.391 -5.604 -3.346 187 HA ARG 28 HA ARG 28 1.809 -4.728 -6.086 188 1HB ARG 28 1HB ARG 28 3.273 -4.828 -3.554 189 2HB ARG 28 2HB ARG 28 4.236 -5.665 -4.749 190 1HG ARG 28 1HG ARG 28 4.833 -3.314 -4.514 191 2HG ARG 28 2HG ARG 28 4.299 -3.691 -6.163 192 1HD ARG 28 1HD ARG 28 2.061 -2.715 -5.622 193 2HD ARG 28 2HD ARG 28 2.610 -2.389 -3.981 194 HE ARG 28 HE ARG 28 3.507 -0.415 -4.759 195 1HH1 ARG 28 1HH1 ARG 28 3.966 1.152 -6.071 196 2HH1 ARG 28 2HH1 ARG 28 4.184 0.890 -7.793 197 1HH2 ARG 28 1HH2 ARG 28 3.321 -2.437 -7.633 198 2HH2 ARG 28 2HH2 ARG 28 3.782 -1.101 -8.652 199 H GLY 29 H GLY 29 3.581 -5.868 -7.324 200 1HA GLY 29 1HA GLY 29 3.848 -7.540 -8.936 201 2HA GLY 29 2HA GLY 29 2.436 -8.358 -8.271 202 H ASN 30 H ASN 30 4.882 -7.749 -5.988 203 HA ASN 30 HA ASN 30 6.362 -10.273 -6.285 204 1HB ASN 30 1HB ASN 30 7.653 -9.512 -4.413 205 2HB ASN 30 2HB ASN 30 7.444 -8.165 -5.527 206 2HD2 ASN 30 2HD2 ASN 30 8.268 -7.554 -3.002 207 1HD2 ASN 30 1HD2 ASN 30 6.919 -6.836 -2.124 208 H GLY 31 H GLY 31 3.329 -9.590 -4.980 209 1HA GLY 31 1HA GLY 31 3.244 -12.158 -3.487 210 2HA GLY 31 2HA GLY 31 1.875 -11.164 -3.969 211 H TYR 32 H TYR 32 3.631 -8.829 -2.688 212 HA TYR 32 HA TYR 32 2.502 -9.109 0.061 213 1HB TYR 32 1HB TYR 32 5.177 -7.989 -0.772 214 2HB TYR 32 2HB TYR 32 4.506 -7.783 0.825 215 HD1 TYR 32 HD1 TYR 32 5.862 -10.329 -1.560 216 HD2 TYR 32 HD2 TYR 32 4.877 -9.376 2.521 217 HE1 TYR 32 HE1 TYR 32 7.179 -12.290 -0.788 218 HE2 TYR 32 HE2 TYR 32 6.252 -11.304 3.307 219 HH TYR 32 HH TYR 32 8.009 -13.426 1.020 220 H CYS 33 H CYS 33 2.282 -6.964 1.127 221 HA CYS 33 HA CYS 33 1.023 -5.013 -0.601 222 1HB CYS 33 1HB CYS 33 1.892 -4.888 2.317 223 2HB CYS 33 2HB CYS 33 0.835 -3.717 1.531 224 H GLY 34 H GLY 34 1.612 -2.876 -1.058 225 1HA GLY 34 1HA GLY 34 4.285 -2.190 -1.693 226 2HA GLY 34 2HA GLY 34 3.956 -1.580 -0.061 No H/Q in entry = 226 Start of MODEL 26 1 H SER 1 H SER 1 4.397 0.557 -1.745 2 HA SER 1 HA SER 1 1.933 2.042 -1.560 3 1HB SER 1 1HB SER 1 3.373 3.951 -2.200 4 2HB SER 1 2HB SER 1 4.075 2.974 -0.903 5 HG SER 1 HG SER 1 5.543 3.544 -2.691 6 H GLY 2 H GLY 2 3.013 0.230 -4.196 7 1HA GLY 2 1HA GLY 2 1.326 1.604 -6.166 8 2HA GLY 2 2HA GLY 2 2.396 0.239 -6.472 9 H SER 3 H SER 3 4.453 2.176 -5.001 10 HA SER 3 HA SER 3 6.225 3.417 -5.520 11 1HB SER 3 1HB SER 3 5.570 3.091 -8.458 12 2HB SER 3 2HB SER 3 7.097 3.630 -7.749 13 HG SER 3 HG SER 3 7.235 1.447 -8.235 14 H ASP 4 H ASP 4 3.143 4.527 -6.180 15 HA ASP 4 HA ASP 4 4.098 7.346 -6.072 16 1HB ASP 4 1HB ASP 4 2.813 8.082 -7.829 17 2HB ASP 4 2HB ASP 4 3.498 6.589 -8.447 18 H GLY 5 H GLY 5 2.210 5.106 -4.492 19 1HA GLY 5 1HA GLY 5 0.429 5.169 -3.057 20 2HA GLY 5 2HA GLY 5 -0.142 6.626 -3.862 21 H GLY 6 H GLY 6 -0.779 6.780 -1.507 22 1HA GLY 6 1HA GLY 6 -0.805 8.372 0.171 23 2HA GLY 6 2HA GLY 6 0.841 8.869 -0.234 24 H VAL 7 H VAL 7 -0.947 7.698 2.164 25 HA VAL 7 HA VAL 7 1.229 6.862 3.849 26 HB VAL 7 HB VAL 7 -0.611 6.296 5.495 27 1HG1 VAL 7 1HG1 VAL 7 0.631 8.413 5.491 28 2HG1 VAL 7 2HG1 VAL 7 -0.515 9.105 4.323 29 3HG1 VAL 7 3HG1 VAL 7 -1.057 8.662 5.955 30 1HG2 VAL 7 1HG2 VAL 7 -2.520 5.989 3.865 31 2HG2 VAL 7 2HG2 VAL 7 -2.838 7.180 5.127 32 3HG2 VAL 7 3HG2 VAL 7 -2.432 7.722 3.492 33 H CYS 8 H CYS 8 2.211 5.171 2.776 34 HA CYS 8 HA CYS 8 0.991 2.531 3.420 35 1HB CYS 8 1HB CYS 8 0.830 2.836 1.027 36 2HB CYS 8 2HB CYS 8 2.556 3.204 0.922 37 HA PRO 9 HA PRO 9 4.987 2.512 5.611 38 1HB PRO 9 1HB PRO 9 4.480 0.530 7.408 39 2HB PRO 9 2HB PRO 9 3.746 2.153 7.520 40 1HG PRO 9 1HG PRO 9 2.521 -0.340 6.290 41 2HG PRO 9 2HG PRO 9 1.800 0.753 7.516 42 1HD PRO 9 1HD PRO 9 1.264 1.000 4.867 43 2HD PRO 9 2HD PRO 9 1.423 2.446 5.907 44 H LYS 10 H LYS 10 3.786 0.173 3.484 45 HA LYS 10 HA LYS 10 4.691 -1.555 2.268 46 1HB LYS 10 1HB LYS 10 7.301 -0.076 2.757 47 2HB LYS 10 2HB LYS 10 6.932 -1.107 1.375 48 1HG LYS 10 1HG LYS 10 5.392 0.520 0.462 49 2HG LYS 10 2HG LYS 10 5.443 1.472 1.944 50 1HD LYS 10 1HD LYS 10 7.974 1.754 1.546 51 2HD LYS 10 2HD LYS 10 7.676 1.094 -0.065 52 1HE LYS 10 1HE LYS 10 7.674 3.479 -0.248 53 2HE LYS 10 2HE LYS 10 6.009 2.937 -0.449 54 1HZ LYS 10 1HZ LYS 10 5.616 3.575 1.912 55 2HZ LYS 10 2HZ LYS 10 7.168 4.070 2.051 56 3HZ LYS 10 3HZ LYS 10 6.155 4.855 1.047 57 H ILE 11 H ILE 11 4.272 -2.488 4.638 58 HA ILE 11 HA ILE 11 6.628 -3.825 5.773 59 HB ILE 11 HB ILE 11 5.284 -4.653 7.478 60 1HG1 ILE 11 1HG1 ILE 11 3.374 -5.548 6.424 61 2HG1 ILE 11 2HG1 ILE 11 2.889 -4.492 7.725 62 1HG2 ILE 11 1HG2 ILE 11 5.837 -2.268 7.615 63 2HG2 ILE 11 2HG2 ILE 11 4.257 -1.855 6.924 64 3HG2 ILE 11 3HG2 ILE 11 4.350 -2.672 8.492 65 1HD1 ILE 11 1HD1 ILE 11 2.234 -2.744 6.054 66 2HD1 ILE 11 2HD1 ILE 11 2.651 -3.884 4.748 67 3HD1 ILE 11 3HD1 ILE 11 1.344 -4.267 5.878 68 H LEU 12 H LEU 12 6.682 -6.093 6.118 69 HA LEU 12 HA LEU 12 6.325 -7.628 3.650 70 1HB LEU 12 1HB LEU 12 7.486 -8.461 6.332 71 2HB LEU 12 2HB LEU 12 7.558 -9.410 4.844 72 HG LEU 12 HG LEU 12 8.870 -6.686 5.243 73 1HD1 LEU 12 1HD1 LEU 12 9.937 -8.507 6.523 74 2HD1 LEU 12 2HD1 LEU 12 10.060 -9.483 5.040 75 3HD1 LEU 12 3HD1 LEU 12 10.967 -7.959 5.189 76 1HD2 LEU 12 1HD2 LEU 12 8.968 -8.635 2.893 77 2HD2 LEU 12 2HD2 LEU 12 8.297 -6.988 2.876 78 3HD2 LEU 12 3HD2 LEU 12 10.031 -7.223 3.096 79 H LYS 13 H LYS 13 3.874 -6.924 4.687 80 HA LYS 13 HA LYS 13 2.462 -9.332 5.679 81 1HB LYS 13 1HB LYS 13 1.798 -7.063 6.357 82 2HB LYS 13 2HB LYS 13 1.447 -6.635 4.674 83 1HG LYS 13 1HG LYS 13 -0.379 -8.315 4.651 84 2HG LYS 13 2HG LYS 13 0.072 -8.824 6.297 85 1HD LYS 13 1HD LYS 13 -0.342 -6.431 7.071 86 2HD LYS 13 2HD LYS 13 -0.904 -6.061 5.439 87 1HE LYS 13 1HE LYS 13 -2.828 -6.408 6.752 88 2HE LYS 13 2HE LYS 13 -2.676 -7.814 5.695 89 1HZ LYS 13 1HZ LYS 13 -1.863 -7.736 8.560 90 2HZ LYS 13 2HZ LYS 13 -3.211 -8.450 7.988 91 3HZ LYS 13 3HZ LYS 13 -1.749 -9.051 7.591 92 H LYS 14 H LYS 14 2.495 -10.961 4.244 93 HA LYS 14 HA LYS 14 2.429 -10.704 1.380 94 1HB LYS 14 1HB LYS 14 2.108 -13.077 1.306 95 2HB LYS 14 2HB LYS 14 3.369 -12.667 2.466 96 1HG LYS 14 1HG LYS 14 1.691 -12.955 4.330 97 2HG LYS 14 2HG LYS 14 0.510 -13.509 3.136 98 1HD LYS 14 1HD LYS 14 3.210 -14.824 3.679 99 2HD LYS 14 2HD LYS 14 1.661 -15.355 4.349 100 1HE LYS 14 1HE LYS 14 0.790 -15.734 2.047 101 2HE LYS 14 2HE LYS 14 2.353 -15.248 1.379 102 1HZ LYS 14 1HZ LYS 14 1.924 -17.576 3.176 103 2HZ LYS 14 2HZ LYS 14 2.189 -17.660 1.570 104 3HZ LYS 14 3HZ LYS 14 3.369 -17.122 2.560 105 H CYS 15 H CYS 15 0.860 -10.891 -0.017 106 HA CYS 15 HA CYS 15 -2.021 -10.959 0.841 107 1HB CYS 15 1HB CYS 15 -2.460 -8.890 -0.423 108 2HB CYS 15 2HB CYS 15 -1.343 -8.638 0.886 109 H ARG 16 H ARG 16 -3.520 -10.826 -0.960 110 HA ARG 16 HA ARG 16 -2.610 -11.878 -3.613 111 1HB ARG 16 1HB ARG 16 -3.524 -13.720 -2.168 112 2HB ARG 16 2HB ARG 16 -5.070 -12.865 -2.104 113 1HG ARG 16 1HG ARG 16 -5.339 -13.117 -4.540 114 2HG ARG 16 2HG ARG 16 -3.714 -13.825 -4.668 115 1HD ARG 16 1HD ARG 16 -4.438 -15.721 -3.249 116 2HD ARG 16 2HD ARG 16 -6.057 -15.003 -3.117 117 HE ARG 16 HE ARG 16 -5.427 -15.269 -5.882 118 1HH1 ARG 16 1HH1 ARG 16 -6.230 -16.873 -7.160 119 2HH1 ARG 16 2HH1 ARG 16 -6.816 -18.347 -6.441 120 1HH2 ARG 16 1HH2 ARG 16 -6.148 -17.412 -3.210 121 2HH2 ARG 16 2HH2 ARG 16 -6.775 -18.654 -4.265 122 H ARG 17 H ARG 17 -4.612 -9.707 -1.794 123 HA ARG 17 HA ARG 17 -5.444 -8.317 -4.288 124 1HB ARG 17 1HB ARG 17 -7.759 -8.019 -3.424 125 2HB ARG 17 2HB ARG 17 -7.375 -9.682 -3.864 126 1HG ARG 17 1HG ARG 17 -7.045 -10.247 -1.464 127 2HG ARG 17 2HG ARG 17 -7.458 -8.587 -1.009 128 1HD ARG 17 1HD ARG 17 -9.265 -10.507 -2.540 129 2HD ARG 17 2HD ARG 17 -9.327 -10.259 -0.790 130 HE ARG 17 HE ARG 17 -9.697 -7.716 -1.577 131 1HH1 ARG 17 1HH1 ARG 17 -11.457 -6.670 -1.978 132 2HH1 ARG 17 2HH1 ARG 17 -12.844 -7.438 -2.734 133 1HH2 ARG 17 1HH2 ARG 17 -11.342 -10.544 -2.845 134 2HH2 ARG 17 2HH2 ARG 17 -12.774 -9.611 -3.202 135 H ASP 18 H ASP 18 -6.327 -6.133 -3.827 136 HA ASP 18 HA ASP 18 -4.396 -4.725 -2.207 137 1HB ASP 18 1HB ASP 18 -6.966 -3.676 -3.448 138 2HB ASP 18 2HB ASP 18 -5.609 -2.702 -2.869 139 H SER 19 H SER 19 -7.537 -5.956 -1.495 140 HA SER 19 HA SER 19 -8.237 -4.348 0.795 141 1HB SER 19 1HB SER 19 -9.035 -7.241 0.377 142 2HB SER 19 2HB SER 19 -9.928 -5.969 1.219 143 HG SER 19 HG SER 19 -10.110 -4.898 -0.851 144 H ASP 20 H ASP 20 -5.896 -6.842 0.385 145 HA ASP 20 HA ASP 20 -5.702 -7.763 3.161 146 1HB ASP 20 1HB ASP 20 -3.837 -7.874 0.783 147 2HB ASP 20 2HB ASP 20 -3.493 -8.704 2.260 148 H CYS 21 H CYS 21 -4.741 -4.845 1.605 149 HA CYS 21 HA CYS 21 -2.404 -4.487 3.416 150 1HB CYS 21 1HB CYS 21 -3.009 -3.320 0.684 151 2HB CYS 21 2HB CYS 21 -1.550 -3.022 1.634 152 HA PRO 22 HA PRO 22 -4.295 -1.056 5.373 153 1HB PRO 22 1HB PRO 22 -2.188 0.216 6.531 154 2HB PRO 22 2HB PRO 22 -2.623 -1.469 6.944 155 1HG PRO 22 1HG PRO 22 -0.530 -0.532 4.951 156 2HG PRO 22 2HG PRO 22 -0.322 -1.700 6.296 157 1HD PRO 22 1HD PRO 22 -0.835 -2.520 3.748 158 2HD PRO 22 2HD PRO 22 -1.526 -3.372 5.160 159 H GLY 23 H GLY 23 -4.400 1.266 5.609 160 1HA GLY 23 1HA GLY 23 -3.071 3.361 4.613 161 2HA GLY 23 2HA GLY 23 -4.824 3.358 4.727 162 H ALA 24 H ALA 24 -2.185 3.658 2.688 163 HA ALA 24 HA ALA 24 -3.892 3.800 0.243 164 1HB ALA 24 1HB ALA 24 -2.851 5.899 1.140 165 2HB ALA 24 2HB ALA 24 -2.344 5.499 -0.509 166 3HB ALA 24 3HB ALA 24 -1.252 5.171 0.849 167 H CYS 25 H CYS 25 -1.994 1.454 1.473 168 HA CYS 25 HA CYS 25 -0.133 0.901 -0.667 169 1HB CYS 25 1HB CYS 25 -1.431 -0.935 1.368 170 2HB CYS 25 2HB CYS 25 -0.042 -1.338 0.367 171 H ILE 26 H ILE 26 -0.237 -1.102 -1.839 172 HA ILE 26 HA ILE 26 -2.849 -2.219 -2.708 173 HB ILE 26 HB ILE 26 -2.022 -2.413 -5.002 174 1HG1 ILE 26 1HG1 ILE 26 0.208 -0.436 -4.531 175 2HG1 ILE 26 2HG1 ILE 26 0.510 -2.144 -4.247 176 1HG2 ILE 26 1HG2 ILE 26 -3.454 -0.497 -4.381 177 2HG2 ILE 26 2HG2 ILE 26 -2.006 0.499 -4.118 178 3HG2 ILE 26 3HG2 ILE 26 -2.377 -0.124 -5.737 179 1HD1 ILE 26 1HD1 ILE 26 -0.231 -2.707 -6.538 180 2HD1 ILE 26 2HD1 ILE 26 -0.433 -0.969 -6.879 181 3HD1 ILE 26 3HD1 ILE 26 1.169 -1.637 -6.502 182 H CYS 27 H CYS 27 -2.400 -4.380 -3.837 183 HA CYS 27 HA CYS 27 -0.214 -5.854 -2.445 184 1HB CYS 27 1HB CYS 27 -2.516 -6.756 -2.476 185 2HB CYS 27 2HB CYS 27 -2.421 -6.921 -4.239 186 H ARG 28 H ARG 28 1.695 -5.736 -3.400 187 HA ARG 28 HA ARG 28 2.167 -4.894 -6.143 188 1HB ARG 28 1HB ARG 28 4.023 -6.122 -4.057 189 2HB ARG 28 2HB ARG 28 4.568 -5.361 -5.539 190 1HG ARG 28 1HG ARG 28 3.125 -3.927 -3.273 191 2HG ARG 28 2HG ARG 28 4.866 -3.995 -3.508 192 1HD ARG 28 1HD ARG 28 3.866 -3.099 -5.988 193 2HD ARG 28 2HD ARG 28 2.877 -2.271 -4.771 194 HE ARG 28 HE ARG 28 5.408 -1.862 -3.808 195 1HH1 ARG 28 1HH1 ARG 28 6.731 -0.110 -4.204 196 2HH1 ARG 28 2HH1 ARG 28 6.657 0.624 -5.794 197 1HH2 ARG 28 1HH2 ARG 28 4.313 -1.378 -7.127 198 2HH2 ARG 28 2HH2 ARG 28 5.411 -0.019 -7.305 199 H GLY 29 H GLY 29 3.702 -6.169 -7.469 200 1HA GLY 29 1HA GLY 29 3.864 -7.875 -9.062 201 2HA GLY 29 2HA GLY 29 2.382 -8.566 -8.407 202 H ASN 30 H ASN 30 4.982 -8.114 -6.195 203 HA ASN 30 HA ASN 30 6.047 -10.858 -6.391 204 1HB ASN 30 1HB ASN 30 7.597 -10.237 -4.742 205 2HB ASN 30 2HB ASN 30 7.448 -8.833 -5.795 206 2HD2 ASN 30 2HD2 ASN 30 8.502 -8.772 -3.107 207 1HD2 ASN 30 1HD2 ASN 30 7.374 -7.793 -2.177 208 H GLY 31 H GLY 31 3.217 -9.629 -5.025 209 1HA GLY 31 1HA GLY 31 2.785 -12.084 -3.442 210 2HA GLY 31 2HA GLY 31 1.591 -10.871 -3.879 211 H TYR 32 H TYR 32 3.451 -8.688 -2.752 212 HA TYR 32 HA TYR 32 2.572 -8.940 0.093 213 1HB TYR 32 1HB TYR 32 5.271 -8.109 -0.965 214 2HB TYR 32 2HB TYR 32 4.745 -7.722 0.659 215 HD1 TYR 32 HD1 TYR 32 5.671 -10.533 -1.624 216 HD2 TYR 32 HD2 TYR 32 4.895 -9.288 2.418 217 HE1 TYR 32 HE1 TYR 32 6.625 -12.671 -0.788 218 HE2 TYR 32 HE2 TYR 32 5.904 -11.406 3.273 219 HH TYR 32 HH TYR 32 7.164 -13.923 1.052 220 H CYS 33 H CYS 33 2.393 -6.870 1.205 221 HA CYS 33 HA CYS 33 1.073 -4.903 -0.391 222 1HB CYS 33 1HB CYS 33 2.043 -4.847 2.485 223 2HB CYS 33 2HB CYS 33 0.968 -3.642 1.768 224 H GLY 34 H GLY 34 1.595 -2.822 -1.041 225 1HA GLY 34 1HA GLY 34 4.104 -2.136 -1.951 226 2HA GLY 34 2HA GLY 34 4.075 -1.467 -0.309 No H/Q in entry = 226 Start of MODEL 27 1 H SER 1 H SER 1 4.366 1.043 -0.484 2 HA SER 1 HA SER 1 1.973 2.396 -1.112 3 1HB SER 1 1HB SER 1 4.816 3.094 -1.935 4 2HB SER 1 2HB SER 1 3.436 4.213 -1.928 5 HG SER 1 HG SER 1 4.871 4.184 -0.005 6 H GLY 2 H GLY 2 1.154 3.292 -3.107 7 1HA GLY 2 1HA GLY 2 0.167 2.277 -5.118 8 2HA GLY 2 2HA GLY 2 1.725 1.591 -5.518 9 H SER 3 H SER 3 0.934 2.584 -7.583 10 HA SER 3 HA SER 3 2.640 4.733 -8.315 11 1HB SER 3 1HB SER 3 1.539 4.507 -10.531 12 2HB SER 3 2HB SER 3 2.086 2.966 -9.851 13 HG SER 3 HG SER 3 -0.051 2.846 -10.719 14 H ASP 4 H ASP 4 -0.557 4.896 -7.069 15 HA ASP 4 HA ASP 4 -1.397 7.467 -8.065 16 1HB ASP 4 1HB ASP 4 -2.849 5.770 -6.959 17 2HB ASP 4 2HB ASP 4 -2.008 6.058 -5.436 18 H GLY 5 H GLY 5 1.105 6.617 -5.822 19 1HA GLY 5 1HA GLY 5 1.742 9.442 -5.245 20 2HA GLY 5 2HA GLY 5 2.726 8.026 -4.892 21 H GLY 6 H GLY 6 -0.233 7.232 -3.721 22 1HA GLY 6 1HA GLY 6 -1.157 7.007 -1.619 23 2HA GLY 6 2HA GLY 6 -0.488 8.589 -1.205 24 H VAL 7 H VAL 7 1.061 8.612 0.306 25 HA VAL 7 HA VAL 7 3.196 6.701 0.549 26 HB VAL 7 HB VAL 7 2.318 8.788 2.590 27 1HG1 VAL 7 1HG1 VAL 7 4.971 7.311 2.207 28 2HG1 VAL 7 2HG1 VAL 7 4.691 8.651 3.339 29 3HG1 VAL 7 3HG1 VAL 7 3.863 7.116 3.582 30 1HG2 VAL 7 1HG2 VAL 7 4.370 8.940 0.336 31 2HG2 VAL 7 2HG2 VAL 7 2.849 9.849 0.430 32 3HG2 VAL 7 3HG2 VAL 7 4.126 10.167 1.600 33 H CYS 8 H CYS 8 2.622 4.618 0.974 34 HA CYS 8 HA CYS 8 0.973 4.015 3.354 35 1HB CYS 8 1HB CYS 8 0.934 2.587 1.260 36 2HB CYS 8 2HB CYS 8 2.583 2.110 1.633 37 HA PRO 9 HA PRO 9 4.573 4.038 6.189 38 1HB PRO 9 1HB PRO 9 2.839 1.811 7.301 39 2HB PRO 9 2HB PRO 9 3.807 3.022 8.204 40 1HG PRO 9 1HG PRO 9 1.178 3.461 7.809 41 2HG PRO 9 2HG PRO 9 2.344 4.797 7.540 42 1HD PRO 9 1HD PRO 9 0.932 3.096 5.503 43 2HD PRO 9 2HD PRO 9 1.407 4.829 5.419 44 H LYS 10 H LYS 10 4.555 2.002 3.793 45 HA LYS 10 HA LYS 10 5.692 0.165 3.000 46 1HB LYS 10 1HB LYS 10 7.867 1.570 4.592 47 2HB LYS 10 2HB LYS 10 8.117 0.476 3.224 48 1HG LYS 10 1HG LYS 10 6.792 2.040 1.772 49 2HG LYS 10 2HG LYS 10 6.736 3.189 3.116 50 1HD LYS 10 1HD LYS 10 9.297 2.148 1.837 51 2HD LYS 10 2HD LYS 10 8.511 3.685 1.450 52 1HE LYS 10 1HE LYS 10 8.749 4.411 3.821 53 2HE LYS 10 2HE LYS 10 9.582 2.896 4.195 54 1HZ LYS 10 1HZ LYS 10 11.319 3.536 2.606 55 2HZ LYS 10 2HZ LYS 10 10.549 4.939 2.265 56 3HZ LYS 10 3HZ LYS 10 11.160 4.683 3.756 57 H ILE 11 H ILE 11 4.256 -0.869 4.826 58 HA ILE 11 HA ILE 11 5.785 -2.801 6.464 59 HB ILE 11 HB ILE 11 3.594 -3.733 7.050 60 1HG1 ILE 11 1HG1 ILE 11 1.621 -1.957 6.402 61 2HG1 ILE 11 2HG1 ILE 11 2.541 -1.895 4.908 62 1HG2 ILE 11 1HG2 ILE 11 4.621 -1.896 8.346 63 2HG2 ILE 11 2HG2 ILE 11 3.691 -0.712 7.403 64 3HG2 ILE 11 3HG2 ILE 11 2.855 -1.888 8.435 65 1HD1 ILE 11 1HD1 ILE 11 2.386 -4.443 4.834 66 2HD1 ILE 11 2HD1 ILE 11 1.283 -4.335 6.227 67 3HD1 ILE 11 3HD1 ILE 11 0.845 -3.591 4.680 68 H LEU 12 H LEU 12 5.904 -4.955 6.011 69 HA LEU 12 HA LEU 12 6.161 -5.682 3.204 70 1HB LEU 12 1HB LEU 12 6.470 -7.323 5.750 71 2HB LEU 12 2HB LEU 12 6.761 -7.976 4.138 72 HG LEU 12 HG LEU 12 8.272 -5.604 5.342 73 1HD1 LEU 12 1HD1 LEU 12 8.727 -7.714 6.538 74 2HD1 LEU 12 2HD1 LEU 12 9.103 -8.516 4.997 75 3HD1 LEU 12 3HD1 LEU 12 10.130 -7.195 5.596 76 1HD2 LEU 12 1HD2 LEU 12 8.762 -7.250 2.816 77 2HD2 LEU 12 2HD2 LEU 12 8.315 -5.529 2.884 78 3HD2 LEU 12 3HD2 LEU 12 9.885 -6.049 3.492 79 H LYS 13 H LYS 13 4.313 -7.338 5.681 80 HA LYS 13 HA LYS 13 2.612 -8.912 5.560 81 1HB LYS 13 1HB LYS 13 1.762 -6.632 6.114 82 2HB LYS 13 2HB LYS 13 1.230 -6.465 4.433 83 1HG LYS 13 1HG LYS 13 -0.208 -8.526 4.769 84 2HG LYS 13 2HG LYS 13 0.306 -8.532 6.470 85 1HD LYS 13 1HD LYS 13 -0.605 -6.137 6.624 86 2HD LYS 13 2HD LYS 13 -1.289 -6.385 5.000 87 1HE LYS 13 1HE LYS 13 -2.441 -8.451 5.907 88 2HE LYS 13 2HE LYS 13 -1.843 -8.012 7.519 89 1HZ LYS 13 1HZ LYS 13 -3.101 -5.904 7.286 90 2HZ LYS 13 2HZ LYS 13 -3.679 -6.408 5.825 91 3HZ LYS 13 3HZ LYS 13 -4.094 -7.199 7.195 92 H LYS 14 H LYS 14 2.962 -10.593 4.168 93 HA LYS 14 HA LYS 14 2.589 -10.558 1.367 94 1HB LYS 14 1HB LYS 14 2.304 -12.945 1.436 95 2HB LYS 14 2HB LYS 14 3.681 -12.420 2.401 96 1HG LYS 14 1HG LYS 14 2.297 -12.684 4.484 97 2HG LYS 14 2HG LYS 14 0.969 -13.305 3.482 98 1HD LYS 14 1HD LYS 14 2.418 -15.159 2.702 99 2HD LYS 14 2HD LYS 14 3.752 -14.536 3.698 100 1HE LYS 14 1HE LYS 14 2.356 -14.821 5.735 101 2HE LYS 14 2HE LYS 14 1.032 -15.447 4.744 102 1HZ LYS 14 1HZ LYS 14 3.708 -16.719 5.011 103 2HZ LYS 14 2HZ LYS 14 2.337 -17.249 5.719 104 3HZ LYS 14 3HZ LYS 14 2.484 -17.299 4.095 105 H CYS 15 H CYS 15 0.963 -10.770 0.085 106 HA CYS 15 HA CYS 15 -1.876 -10.798 1.097 107 1HB CYS 15 1HB CYS 15 -2.346 -8.721 -0.155 108 2HB CYS 15 2HB CYS 15 -1.165 -8.498 1.108 109 H ARG 16 H ARG 16 -3.511 -10.881 -0.475 110 HA ARG 16 HA ARG 16 -2.878 -12.434 -2.978 111 1HB ARG 16 1HB ARG 16 -5.432 -12.256 -1.338 112 2HB ARG 16 2HB ARG 16 -5.126 -13.382 -2.646 113 1HG ARG 16 1HG ARG 16 -3.677 -14.725 -1.367 114 2HG ARG 16 2HG ARG 16 -3.365 -13.479 -0.159 115 1HD ARG 16 1HD ARG 16 -6.054 -14.827 -0.551 116 2HD ARG 16 2HD ARG 16 -4.849 -15.262 0.676 117 HE ARG 16 HE ARG 16 -5.428 -12.445 0.884 118 1HH1 ARG 16 1HH1 ARG 16 -6.739 -11.601 2.402 119 2HH1 ARG 16 2HH1 ARG 16 -7.780 -12.642 3.351 120 1HH2 ARG 16 1HH2 ARG 16 -6.920 -15.518 1.688 121 2HH2 ARG 16 2HH2 ARG 16 -7.905 -14.800 2.938 122 H ARG 17 H ARG 17 -4.181 -9.515 -1.846 123 HA ARG 17 HA ARG 17 -5.257 -8.489 -4.383 124 1HB ARG 17 1HB ARG 17 -7.547 -8.136 -3.406 125 2HB ARG 17 2HB ARG 17 -7.168 -9.850 -3.598 126 1HG ARG 17 1HG ARG 17 -6.567 -10.006 -1.197 127 2HG ARG 17 2HG ARG 17 -6.902 -8.286 -0.996 128 1HD ARG 17 1HD ARG 17 -9.284 -8.714 -1.531 129 2HD ARG 17 2HD ARG 17 -8.919 -10.453 -1.651 130 HE ARG 17 HE ARG 17 -7.809 -9.808 0.768 131 1HH1 ARG 17 1HH1 ARG 17 -11.114 -9.259 -0.255 132 2HH1 ARG 17 2HH1 ARG 17 -11.647 -9.131 1.403 133 1HH2 ARG 17 1HH2 ARG 17 -8.453 -9.604 2.664 134 2HH2 ARG 17 2HH2 ARG 17 -10.147 -9.350 3.082 135 H ASP 18 H ASP 18 -5.989 -6.180 -4.055 136 HA ASP 18 HA ASP 18 -4.085 -4.752 -2.401 137 1HB ASP 18 1HB ASP 18 -6.588 -3.679 -3.754 138 2HB ASP 18 2HB ASP 18 -5.227 -2.730 -3.136 139 H SER 19 H SER 19 -7.347 -5.827 -1.829 140 HA SER 19 HA SER 19 -8.022 -4.105 0.386 141 1HB SER 19 1HB SER 19 -9.124 -6.866 -0.225 142 2HB SER 19 2HB SER 19 -9.903 -5.596 0.724 143 HG SER 19 HG SER 19 -9.999 -4.325 -1.196 144 H ASP 20 H ASP 20 -5.942 -6.803 0.203 145 HA ASP 20 HA ASP 20 -6.056 -7.629 3.042 146 1HB ASP 20 1HB ASP 20 -4.165 -8.130 0.736 147 2HB ASP 20 2HB ASP 20 -3.731 -8.632 2.342 148 H CYS 21 H CYS 21 -4.574 -5.019 1.255 149 HA CYS 21 HA CYS 21 -2.469 -4.601 3.274 150 1HB CYS 21 1HB CYS 21 -3.056 -3.211 0.637 151 2HB CYS 21 2HB CYS 21 -1.639 -2.954 1.655 152 HA PRO 22 HA PRO 22 -4.651 -1.328 5.319 153 1HB PRO 22 1HB PRO 22 -2.662 0.004 6.605 154 2HB PRO 22 2HB PRO 22 -3.049 -1.704 6.971 155 1HG PRO 22 1HG PRO 22 -0.874 -0.648 5.130 156 2HG PRO 22 2HG PRO 22 -0.726 -1.855 6.448 157 1HD PRO 22 1HD PRO 22 -1.055 -2.569 3.824 158 2HD PRO 22 2HD PRO 22 -1.751 -3.528 5.166 159 H GLY 23 H GLY 23 -5.018 0.901 5.445 160 1HA GLY 23 1HA GLY 23 -3.972 3.191 4.805 161 2HA GLY 23 2HA GLY 23 -5.631 2.863 4.343 162 H ALA 24 H ALA 24 -2.428 3.448 3.246 163 HA ALA 24 HA ALA 24 -3.448 4.054 0.535 164 1HB ALA 24 1HB ALA 24 -2.376 5.806 1.899 165 2HB ALA 24 2HB ALA 24 -1.478 5.490 0.407 166 3HB ALA 24 3HB ALA 24 -0.877 4.850 1.951 167 H CYS 25 H CYS 25 -1.887 1.348 1.805 168 HA CYS 25 HA CYS 25 0.077 0.897 -0.287 169 1HB CYS 25 1HB CYS 25 -1.206 -0.847 1.826 170 2HB CYS 25 2HB CYS 25 -0.240 -1.539 0.547 171 H ILE 26 H ILE 26 0.020 -0.899 -1.637 172 HA ILE 26 HA ILE 26 -2.545 -1.922 -2.772 173 HB ILE 26 HB ILE 26 -1.392 -2.077 -4.968 174 1HG1 ILE 26 1HG1 ILE 26 0.699 -0.097 -4.045 175 2HG1 ILE 26 2HG1 ILE 26 0.990 -1.812 -3.854 176 1HG2 ILE 26 1HG2 ILE 26 -2.945 -0.220 -4.492 177 2HG2 ILE 26 2HG2 ILE 26 -1.588 0.788 -3.944 178 3HG2 ILE 26 3HG2 ILE 26 -1.684 0.258 -5.638 179 1HD1 ILE 26 1HD1 ILE 26 0.392 -0.493 -6.515 180 2HD1 ILE 26 2HD1 ILE 26 1.985 -1.000 -5.920 181 3HD1 ILE 26 3HD1 ILE 26 0.750 -2.229 -6.236 182 H CYS 27 H CYS 27 -2.093 -4.072 -3.844 183 HA CYS 27 HA CYS 27 0.033 -5.615 -2.397 184 1HB CYS 27 1HB CYS 27 -2.283 -6.393 -2.164 185 2HB CYS 27 2HB CYS 27 -2.398 -6.610 -3.917 186 H ARG 28 H ARG 28 1.858 -5.634 -3.516 187 HA ARG 28 HA ARG 28 2.081 -5.020 -6.357 188 1HB ARG 28 1HB ARG 28 4.051 -5.910 -4.194 189 2HB ARG 28 2HB ARG 28 4.520 -5.781 -5.879 190 1HG ARG 28 1HG ARG 28 5.206 -3.784 -5.067 191 2HG ARG 28 2HG ARG 28 3.666 -3.352 -5.801 192 1HD ARG 28 1HD ARG 28 2.613 -3.275 -3.587 193 2HD ARG 28 2HD ARG 28 4.089 -3.865 -2.825 194 HE ARG 28 HE ARG 28 3.556 -1.134 -3.777 195 1HH1 ARG 28 1HH1 ARG 28 5.013 0.426 -3.603 196 2HH1 ARG 28 2HH1 ARG 28 6.683 0.083 -3.187 197 1HH2 ARG 28 1HH2 ARG 28 6.186 -3.307 -2.926 198 2HH2 ARG 28 2HH2 ARG 28 7.321 -1.991 -2.806 199 H GLY 29 H GLY 29 3.355 -6.460 -7.747 200 1HA GLY 29 1HA GLY 29 3.238 -8.288 -9.205 201 2HA GLY 29 2HA GLY 29 1.830 -8.853 -8.307 202 H ASN 30 H ASN 30 4.686 -8.377 -6.473 203 HA ASN 30 HA ASN 30 5.642 -11.161 -6.558 204 1HB ASN 30 1HB ASN 30 7.325 -10.477 -5.066 205 2HB ASN 30 2HB ASN 30 7.134 -9.139 -6.193 206 2HD2 ASN 30 2HD2 ASN 30 8.287 -9.113 -3.456 207 1HD2 ASN 30 1HD2 ASN 30 7.280 -7.966 -2.580 208 H GLY 31 H GLY 31 2.966 -9.738 -5.067 209 1HA GLY 31 1HA GLY 31 2.532 -12.102 -3.363 210 2HA GLY 31 2HA GLY 31 1.381 -10.823 -3.737 211 H TYR 32 H TYR 32 3.312 -8.679 -2.850 212 HA TYR 32 HA TYR 32 2.744 -8.849 0.074 213 1HB TYR 32 1HB TYR 32 5.363 -8.228 -1.289 214 2HB TYR 32 2HB TYR 32 5.013 -7.571 0.289 215 HD1 TYR 32 HD1 TYR 32 5.050 -8.915 2.272 216 HD2 TYR 32 HD2 TYR 32 5.705 -10.710 -1.580 217 HE1 TYR 32 HE1 TYR 32 6.086 -10.870 3.387 218 HE2 TYR 32 HE2 TYR 32 6.663 -12.726 -0.473 219 HH TYR 32 HH TYR 32 7.258 -13.705 1.509 220 H CYS 33 H CYS 33 2.700 -6.741 1.156 221 HA CYS 33 HA CYS 33 1.311 -4.789 -0.502 222 1HB CYS 33 1HB CYS 33 2.024 -4.859 2.442 223 2HB CYS 33 2HB CYS 33 1.029 -3.614 1.694 224 H GLY 34 H GLY 34 1.761 -2.517 -0.498 225 1HA GLY 34 1HA GLY 34 4.492 -1.660 -0.853 226 2HA GLY 34 2HA GLY 34 3.873 -1.151 0.725 No H/Q in entry = 226 Start of MODEL 28 1 H SER 1 H SER 1 4.477 0.484 -1.026 2 HA SER 1 HA SER 1 2.061 1.992 -1.066 3 1HB SER 1 1HB SER 1 4.251 2.967 -0.598 4 2HB SER 1 2HB SER 1 4.749 2.703 -2.285 5 HG SER 1 HG SER 1 3.905 4.846 -1.831 6 H GLY 2 H GLY 2 0.651 2.565 -2.647 7 1HA GLY 2 1HA GLY 2 -0.472 2.142 -4.752 8 2HA GLY 2 2HA GLY 2 1.041 1.634 -5.459 9 H SER 3 H SER 3 2.275 4.128 -4.038 10 HA SER 3 HA SER 3 2.971 6.199 -4.569 11 1HB SER 3 1HB SER 3 1.922 5.675 -7.366 12 2HB SER 3 2HB SER 3 3.030 6.964 -6.882 13 HG SER 3 HG SER 3 3.518 4.167 -6.610 14 H ASP 4 H ASP 4 -0.064 5.689 -3.938 15 HA ASP 4 HA ASP 4 -1.483 8.032 -4.810 16 1HB ASP 4 1HB ASP 4 -2.479 5.958 -4.009 17 2HB ASP 4 2HB ASP 4 -1.860 6.163 -2.416 18 H GLY 5 H GLY 5 0.831 7.544 -2.244 19 1HA GLY 5 1HA GLY 5 0.964 10.442 -1.688 20 2HA GLY 5 2HA GLY 5 2.123 9.210 -1.210 21 H GLY 6 H GLY 6 -0.914 8.135 -0.325 22 1HA GLY 6 1HA GLY 6 -2.151 8.142 1.664 23 2HA GLY 6 2HA GLY 6 -1.116 9.406 2.323 24 H VAL 7 H VAL 7 -1.946 7.326 3.858 25 HA VAL 7 HA VAL 7 0.511 6.406 5.020 26 HB VAL 7 HB VAL 7 -2.344 5.600 5.689 27 1HG1 VAL 7 1HG1 VAL 7 0.243 5.336 7.298 28 2HG1 VAL 7 2HG1 VAL 7 -1.391 5.048 7.925 29 3HG1 VAL 7 3HG1 VAL 7 -0.746 3.997 6.670 30 1HG2 VAL 7 1HG2 VAL 7 -0.524 7.746 6.877 31 2HG2 VAL 7 2HG2 VAL 7 -2.002 8.035 5.934 32 3HG2 VAL 7 3HG2 VAL 7 -2.112 7.264 7.516 33 H CYS 8 H CYS 8 1.709 5.024 3.842 34 HA CYS 8 HA CYS 8 0.716 2.253 3.862 35 1HB CYS 8 1HB CYS 8 0.561 2.801 1.515 36 2HB CYS 8 2HB CYS 8 2.255 3.310 1.466 37 HA PRO 9 HA PRO 9 4.643 2.443 6.178 38 1HB PRO 9 1HB PRO 9 4.187 0.409 7.935 39 2HB PRO 9 2HB PRO 9 3.401 2.008 8.065 40 1HG PRO 9 1HG PRO 9 2.274 -0.511 6.800 41 2HG PRO 9 2HG PRO 9 1.498 0.558 8.012 42 1HD PRO 9 1HD PRO 9 1.018 0.771 5.342 43 2HD PRO 9 2HD PRO 9 1.071 2.217 6.397 44 H LYS 10 H LYS 10 3.650 0.202 3.906 45 HA LYS 10 HA LYS 10 4.606 -1.547 2.743 46 1HB LYS 10 1HB LYS 10 7.113 0.069 3.355 47 2HB LYS 10 2HB LYS 10 6.954 -1.143 2.080 48 1HG LYS 10 1HG LYS 10 5.278 0.212 0.922 49 2HG LYS 10 2HG LYS 10 5.286 1.401 2.222 50 1HD LYS 10 1HD LYS 10 6.594 2.256 0.396 51 2HD LYS 10 2HD LYS 10 7.658 1.924 1.767 52 1HE LYS 10 1HE LYS 10 8.351 -0.222 0.705 53 2HE LYS 10 2HE LYS 10 7.276 0.107 -0.661 54 1HZ LYS 10 1HZ LYS 10 9.601 1.784 0.127 55 2HZ LYS 10 2HZ LYS 10 9.562 0.768 -1.147 56 3HZ LYS 10 3HZ LYS 10 8.615 2.096 -1.139 57 H ILE 11 H ILE 11 3.984 -2.586 4.969 58 HA ILE 11 HA ILE 11 6.179 -3.971 6.320 59 HB ILE 11 HB ILE 11 4.542 -5.008 7.684 60 1HG1 ILE 11 1HG1 ILE 11 2.769 -5.640 6.224 61 2HG1 ILE 11 2HG1 ILE 11 2.147 -4.713 7.566 62 1HG2 ILE 11 1HG2 ILE 11 5.185 -2.739 8.248 63 2HG2 ILE 11 2HG2 ILE 11 3.828 -2.084 7.321 64 3HG2 ILE 11 3HG2 ILE 11 3.523 -3.075 8.757 65 1HD1 ILE 11 1HD1 ILE 11 1.913 -2.723 6.042 66 2HD1 ILE 11 2HD1 ILE 11 2.415 -3.765 4.685 67 3HD1 ILE 11 3HD1 ILE 11 0.936 -4.125 5.578 68 H LEU 12 H LEU 12 6.300 -6.218 6.494 69 HA LEU 12 HA LEU 12 6.274 -7.618 3.926 70 1HB LEU 12 1HB LEU 12 7.162 -8.594 6.663 71 2HB LEU 12 2HB LEU 12 7.483 -9.391 5.120 72 HG LEU 12 HG LEU 12 8.556 -6.652 5.936 73 1HD1 LEU 12 1HD1 LEU 12 9.555 -8.522 7.194 74 2HD1 LEU 12 2HD1 LEU 12 9.941 -9.352 5.670 75 3HD1 LEU 12 3HD1 LEU 12 10.718 -7.803 6.069 76 1HD2 LEU 12 1HD2 LEU 12 9.108 -8.365 3.471 77 2HD2 LEU 12 2HD2 LEU 12 8.312 -6.774 3.495 78 3HD2 LEU 12 3HD2 LEU 12 10.016 -6.909 3.934 79 H LYS 13 H LYS 13 3.620 -7.109 4.960 80 HA LYS 13 HA LYS 13 2.437 -9.736 5.622 81 1HB LYS 13 1HB LYS 13 1.395 -7.554 6.345 82 2HB LYS 13 2HB LYS 13 1.022 -7.223 4.643 83 1HG LYS 13 1HG LYS 13 -0.161 -9.538 4.649 84 2HG LYS 13 2HG LYS 13 0.015 -9.507 6.403 85 1HD LYS 13 1HD LYS 13 -1.484 -7.500 4.672 86 2HD LYS 13 2HD LYS 13 -2.206 -8.782 5.654 87 1HE LYS 13 1HE LYS 13 -1.143 -7.674 7.699 88 2HE LYS 13 2HE LYS 13 -0.704 -6.324 6.642 89 1HZ LYS 13 1HZ LYS 13 -3.148 -6.220 6.068 90 2HZ LYS 13 2HZ LYS 13 -3.444 -7.271 7.273 91 3HZ LYS 13 3HZ LYS 13 -2.810 -5.809 7.630 92 H LYS 14 H LYS 14 2.511 -11.286 4.113 93 HA LYS 14 HA LYS 14 2.497 -10.815 1.245 94 1HB LYS 14 1HB LYS 14 2.280 -13.186 0.987 95 2HB LYS 14 2HB LYS 14 3.550 -12.808 2.151 96 1HG LYS 14 1HG LYS 14 1.857 -13.293 4.008 97 2HG LYS 14 2HG LYS 14 0.772 -13.911 2.758 98 1HD LYS 14 1HD LYS 14 3.578 -14.950 3.363 99 2HD LYS 14 2HD LYS 14 2.065 -15.687 3.910 100 1HE LYS 14 1HE LYS 14 1.376 -16.039 1.546 101 2HE LYS 14 2HE LYS 14 2.904 -15.335 0.997 102 1HZ LYS 14 1HZ LYS 14 2.664 -17.792 2.653 103 2HZ LYS 14 2HZ LYS 14 3.024 -17.760 1.062 104 3HZ LYS 14 3HZ LYS 14 4.073 -17.138 2.146 105 H CYS 15 H CYS 15 0.846 -10.967 -0.121 106 HA CYS 15 HA CYS 15 -1.986 -11.071 0.910 107 1HB CYS 15 1HB CYS 15 -2.460 -8.913 -0.212 108 2HB CYS 15 2HB CYS 15 -1.292 -8.776 1.064 109 H ARG 16 H ARG 16 -3.607 -10.824 -0.794 110 HA ARG 16 HA ARG 16 -2.857 -11.744 -3.536 111 1HB ARG 16 1HB ARG 16 -5.005 -13.039 -1.802 112 2HB ARG 16 2HB ARG 16 -4.818 -13.328 -3.529 113 1HG ARG 16 1HG ARG 16 -2.729 -14.019 -1.414 114 2HG ARG 16 2HG ARG 16 -3.866 -15.139 -2.157 115 1HD ARG 16 1HD ARG 16 -2.897 -14.718 -4.381 116 2HD ARG 16 2HD ARG 16 -1.746 -13.573 -3.700 117 HE ARG 16 HE ARG 16 -1.709 -16.520 -3.448 118 1HH1 ARG 16 1HH1 ARG 16 0.171 -17.501 -2.915 119 2HH1 ARG 16 2HH1 ARG 16 1.497 -16.569 -2.284 120 1HH2 ARG 16 1HH2 ARG 16 -0.149 -13.559 -2.345 121 2HH2 ARG 16 2HH2 ARG 16 1.335 -14.402 -1.995 122 H ARG 17 H ARG 17 -4.656 -9.642 -1.570 123 HA ARG 17 HA ARG 17 -5.734 -8.363 -4.028 124 1HB ARG 17 1HB ARG 17 -7.500 -9.807 -2.596 125 2HB ARG 17 2HB ARG 17 -7.464 -8.350 -1.578 126 1HG ARG 17 1HG ARG 17 -8.245 -6.968 -3.394 127 2HG ARG 17 2HG ARG 17 -8.095 -8.309 -4.552 128 1HD ARG 17 1HD ARG 17 -9.847 -9.552 -3.441 129 2HD ARG 17 2HD ARG 17 -9.904 -8.415 -2.099 130 HE ARG 17 HE ARG 17 -11.006 -8.032 -4.826 131 1HH1 ARG 17 1HH1 ARG 17 -12.425 -6.397 -5.190 132 2HH1 ARG 17 2HH1 ARG 17 -12.676 -5.171 -3.979 133 1HH2 ARG 17 1HH2 ARG 17 -10.464 -6.483 -1.704 134 2HH2 ARG 17 2HH2 ARG 17 -11.612 -5.218 -2.076 135 H ASP 18 H ASP 18 -6.548 -6.179 -3.421 136 HA ASP 18 HA ASP 18 -4.318 -4.716 -2.124 137 1HB ASP 18 1HB ASP 18 -6.908 -3.684 -3.292 138 2HB ASP 18 2HB ASP 18 -5.488 -2.698 -2.774 139 H SER 19 H SER 19 -7.550 -5.710 -1.231 140 HA SER 19 HA SER 19 -7.921 -4.003 1.071 141 1HB SER 19 1HB SER 19 -9.753 -5.705 1.556 142 2HB SER 19 2HB SER 19 -9.855 -4.822 0.031 143 HG SER 19 HG SER 19 -9.067 -7.516 0.449 144 H ASP 20 H ASP 20 -5.938 -6.782 0.559 145 HA ASP 20 HA ASP 20 -5.775 -7.706 3.325 146 1HB ASP 20 1HB ASP 20 -3.877 -7.790 0.960 147 2HB ASP 20 2HB ASP 20 -3.494 -8.571 2.454 148 H CYS 21 H CYS 21 -4.546 -4.886 1.657 149 HA CYS 21 HA CYS 21 -2.376 -4.504 3.629 150 1HB CYS 21 1HB CYS 21 -2.851 -3.220 0.924 151 2HB CYS 21 2HB CYS 21 -1.387 -3.105 1.908 152 HA PRO 22 HA PRO 22 -3.931 -0.745 5.499 153 1HB PRO 22 1HB PRO 22 -1.275 0.481 4.746 154 2HB PRO 22 2HB PRO 22 -2.133 0.538 6.317 155 1HG PRO 22 1HG PRO 22 -0.080 -1.191 5.972 156 2HG PRO 22 2HG PRO 22 -1.575 -1.735 6.794 157 1HD PRO 22 1HD PRO 22 -0.724 -2.208 3.933 158 2HD PRO 22 2HD PRO 22 -1.450 -3.337 5.110 159 H GLY 23 H GLY 23 -4.261 1.576 5.186 160 1HA GLY 23 1HA GLY 23 -4.858 3.497 4.005 161 2HA GLY 23 2HA GLY 23 -5.980 2.302 3.378 162 H ALA 24 H ALA 24 -2.681 3.561 2.707 163 HA ALA 24 HA ALA 24 -3.444 4.040 -0.125 164 1HB ALA 24 1HB ALA 24 -2.481 5.840 1.277 165 2HB ALA 24 2HB ALA 24 -1.501 5.489 -0.157 166 3HB ALA 24 3HB ALA 24 -0.975 4.890 1.424 167 H CYS 25 H CYS 25 -2.145 1.398 1.404 168 HA CYS 25 HA CYS 25 0.005 0.784 -0.494 169 1HB CYS 25 1HB CYS 25 -1.472 -1.019 1.441 170 2HB CYS 25 2HB CYS 25 -0.003 -1.404 0.557 171 H ILE 26 H ILE 26 -0.110 -1.247 -1.649 172 HA ILE 26 HA ILE 26 -2.708 -2.275 -2.631 173 HB ILE 26 HB ILE 26 -1.714 -2.450 -4.931 174 1HG1 ILE 26 1HG1 ILE 26 0.338 -0.391 -4.028 175 2HG1 ILE 26 2HG1 ILE 26 0.708 -2.105 -4.118 176 1HG2 ILE 26 1HG2 ILE 26 -3.351 -0.681 -4.306 177 2HG2 ILE 26 2HG2 ILE 26 -2.005 0.426 -3.970 178 3HG2 ILE 26 3HG2 ILE 26 -2.277 -0.185 -5.614 179 1HD1 ILE 26 1HD1 ILE 26 -0.211 -0.454 -6.495 180 2HD1 ILE 26 2HD1 ILE 26 1.460 -0.862 -6.109 181 3HD1 ILE 26 3HD1 ILE 26 0.329 -2.173 -6.498 182 H CYS 27 H CYS 27 -2.302 -4.425 -3.736 183 HA CYS 27 HA CYS 27 -0.125 -5.931 -2.382 184 1HB CYS 27 1HB CYS 27 -2.449 -6.787 -2.395 185 2HB CYS 27 2HB CYS 27 -2.348 -7.002 -4.151 186 H ARG 28 H ARG 28 1.742 -5.703 -3.367 187 HA ARG 28 HA ARG 28 2.098 -4.733 -6.076 188 1HB ARG 28 1HB ARG 28 4.049 -5.905 -4.031 189 2HB ARG 28 2HB ARG 28 4.550 -5.088 -5.497 190 1HG ARG 28 1HG ARG 28 2.955 -3.781 -3.241 191 2HG ARG 28 2HG ARG 28 4.702 -3.707 -3.409 192 1HD ARG 28 1HD ARG 28 2.721 -2.655 -5.453 193 2HD ARG 28 2HD ARG 28 3.538 -1.672 -4.244 194 HE ARG 28 HE ARG 28 5.705 -2.274 -5.293 195 1HH1 ARG 28 1HH1 ARG 28 6.863 -2.182 -7.146 196 2HH1 ARG 28 2HH1 ARG 28 6.052 -2.262 -8.685 197 1HH2 ARG 28 1HH2 ARG 28 2.897 -2.522 -7.392 198 2HH2 ARG 28 2HH2 ARG 28 3.887 -2.468 -8.824 199 H GLY 29 H GLY 29 3.722 -5.881 -7.473 200 1HA GLY 29 1HA GLY 29 3.977 -7.527 -9.121 201 2HA GLY 29 2HA GLY 29 2.501 -8.281 -8.521 202 H ASN 30 H ASN 30 5.011 -7.848 -6.244 203 HA ASN 30 HA ASN 30 6.204 -10.536 -6.482 204 1HB ASN 30 1HB ASN 30 7.549 -9.868 -4.557 205 2HB ASN 30 2HB ASN 30 7.593 -8.650 -5.827 206 2HD2 ASN 30 2HD2 ASN 30 8.387 -7.193 -4.084 207 1HD2 ASN 30 1HD2 ASN 30 7.174 -6.474 -3.029 208 H GLY 31 H GLY 31 3.277 -9.472 -5.161 209 1HA GLY 31 1HA GLY 31 2.892 -12.027 -3.722 210 2HA GLY 31 2HA GLY 31 1.663 -10.843 -4.140 211 H TYR 32 H TYR 32 3.599 -8.741 -2.805 212 HA TYR 32 HA TYR 32 2.576 -9.115 -0.017 213 1HB TYR 32 1HB TYR 32 5.313 -8.286 -0.979 214 2HB TYR 32 2HB TYR 32 4.745 -7.874 0.620 215 HD1 TYR 32 HD1 TYR 32 5.516 -10.811 -1.601 216 HD2 TYR 32 HD2 TYR 32 4.983 -9.339 2.403 217 HE1 TYR 32 HE1 TYR 32 6.486 -12.924 -0.692 218 HE2 TYR 32 HE2 TYR 32 6.052 -11.392 3.320 219 HH TYR 32 HH TYR 32 6.967 -13.436 2.822 220 H CYS 33 H CYS 33 2.378 -7.136 1.208 221 HA CYS 33 HA CYS 33 1.104 -5.034 -0.264 222 1HB CYS 33 1HB CYS 33 2.044 -5.234 2.618 223 2HB CYS 33 2HB CYS 33 1.052 -3.916 1.992 224 H GLY 34 H GLY 34 1.701 -2.934 -0.757 225 1HA GLY 34 1HA GLY 34 4.331 -2.190 -1.380 226 2HA GLY 34 2HA GLY 34 4.049 -1.619 0.273 No H/Q in entry = 226 Start of MODEL 29 1 H SER 1 H SER 1 4.436 0.484 -1.133 2 HA SER 1 HA SER 1 2.049 1.934 -1.044 3 1HB SER 1 1HB SER 1 4.647 2.644 -2.443 4 2HB SER 1 2HB SER 1 3.322 3.777 -2.108 5 HG SER 1 HG SER 1 4.815 3.885 -0.436 6 H GLY 2 H GLY 2 0.536 2.630 -2.460 7 1HA GLY 2 1HA GLY 2 -0.437 1.641 -4.712 8 2HA GLY 2 2HA GLY 2 0.953 2.435 -5.419 9 H SER 3 H SER 3 -0.156 4.295 -2.803 10 HA SER 3 HA SER 3 -1.485 6.269 -4.553 11 1HB SER 3 1HB SER 3 -3.233 4.663 -3.620 12 2HB SER 3 2HB SER 3 -2.782 5.225 -2.006 13 HG SER 3 HG SER 3 -4.049 6.623 -4.120 14 H ASP 4 H ASP 4 -2.175 8.139 -3.049 15 HA ASP 4 HA ASP 4 -0.149 8.780 -0.929 16 1HB ASP 4 1HB ASP 4 0.270 9.972 -3.093 17 2HB ASP 4 2HB ASP 4 -1.323 10.711 -2.961 18 H GLY 5 H GLY 5 -3.370 8.170 -1.515 19 1HA GLY 5 1HA GLY 5 -5.403 8.783 -0.622 20 2HA GLY 5 2HA GLY 5 -4.671 10.200 0.121 21 H GLY 6 H GLY 6 -2.663 8.531 1.580 22 1HA GLY 6 1HA GLY 6 -3.913 6.461 3.134 23 2HA GLY 6 2HA GLY 6 -3.858 7.968 4.060 24 H VAL 7 H VAL 7 -2.487 5.475 4.606 25 HA VAL 7 HA VAL 7 0.402 6.222 4.335 26 HB VAL 7 HB VAL 7 -0.465 6.627 6.597 27 1HG1 VAL 7 1HG1 VAL 7 -2.206 4.872 6.753 28 2HG1 VAL 7 2HG1 VAL 7 -0.945 3.622 6.788 29 3HG1 VAL 7 3HG1 VAL 7 -1.070 4.803 8.103 30 1HG2 VAL 7 1HG2 VAL 7 1.910 5.982 6.245 31 2HG2 VAL 7 2HG2 VAL 7 1.281 5.531 7.834 32 3HG2 VAL 7 3HG2 VAL 7 1.481 4.287 6.593 33 H CYS 8 H CYS 8 1.887 4.593 3.993 34 HA CYS 8 HA CYS 8 0.946 1.812 3.933 35 1HB CYS 8 1HB CYS 8 0.790 2.516 1.601 36 2HB CYS 8 2HB CYS 8 2.510 2.928 1.586 37 HA PRO 9 HA PRO 9 4.706 1.893 6.496 38 1HB PRO 9 1HB PRO 9 3.804 -0.972 6.812 39 2HB PRO 9 2HB PRO 9 4.423 0.157 8.056 40 1HG PRO 9 1HG PRO 9 1.773 -0.305 7.853 41 2HG PRO 9 2HG PRO 9 2.361 1.379 8.060 42 1HD PRO 9 1HD PRO 9 1.533 -0.016 5.500 43 2HD PRO 9 2HD PRO 9 1.094 1.615 6.097 44 H LYS 10 H LYS 10 4.101 -0.127 3.747 45 HA LYS 10 HA LYS 10 5.329 -1.540 2.396 46 1HB LYS 10 1HB LYS 10 7.495 0.455 3.119 47 2HB LYS 10 2HB LYS 10 7.655 -0.772 1.860 48 1HG LYS 10 1HG LYS 10 5.818 0.149 0.588 49 2HG LYS 10 2HG LYS 10 5.457 1.344 1.838 50 1HD LYS 10 1HD LYS 10 8.148 1.193 0.407 51 2HD LYS 10 2HD LYS 10 6.797 2.177 -0.167 52 1HE LYS 10 1HE LYS 10 6.733 3.386 2.004 53 2HE LYS 10 2HE LYS 10 8.106 2.431 2.577 54 1HZ LYS 10 1HZ LYS 10 8.175 4.266 0.241 55 2HZ LYS 10 2HZ LYS 10 8.831 4.572 1.702 56 3HZ LYS 10 3HZ LYS 10 9.440 3.380 0.771 57 H ILE 11 H ILE 11 4.927 -3.212 3.876 58 HA ILE 11 HA ILE 11 7.335 -4.350 5.248 59 HB ILE 11 HB ILE 11 5.744 -5.238 6.978 60 1HG1 ILE 11 1HG1 ILE 11 3.764 -3.198 5.859 61 2HG1 ILE 11 2HG1 ILE 11 3.645 -4.935 5.599 62 1HG2 ILE 11 1HG2 ILE 11 7.226 -3.278 7.332 63 2HG2 ILE 11 2HG2 ILE 11 5.911 -2.202 6.826 64 3HG2 ILE 11 3HG2 ILE 11 5.748 -3.191 8.290 65 1HD1 ILE 11 1HD1 ILE 11 3.457 -5.293 8.052 66 2HD1 ILE 11 2HD1 ILE 11 3.482 -3.527 8.290 67 3HD1 ILE 11 3HD1 ILE 11 2.160 -4.276 7.384 68 H LEU 12 H LEU 12 7.262 -6.619 5.648 69 HA LEU 12 HA LEU 12 6.614 -8.187 3.356 70 1HB LEU 12 1HB LEU 12 7.782 -9.916 4.362 71 2HB LEU 12 2HB LEU 12 8.624 -8.442 4.795 72 HG LEU 12 HG LEU 12 6.817 -10.099 6.629 73 1HD1 LEU 12 1HD1 LEU 12 8.985 -11.137 6.080 74 2HD1 LEU 12 2HD1 LEU 12 9.827 -9.666 6.614 75 3HD1 LEU 12 3HD1 LEU 12 8.905 -10.644 7.778 76 1HD2 LEU 12 1HD2 LEU 12 8.454 -7.607 7.263 77 2HD2 LEU 12 2HD2 LEU 12 6.678 -7.786 7.382 78 3HD2 LEU 12 3HD2 LEU 12 7.726 -8.690 8.467 79 H LYS 13 H LYS 13 4.222 -7.134 4.735 80 HA LYS 13 HA LYS 13 2.598 -9.405 5.644 81 1HB LYS 13 1HB LYS 13 2.114 -7.074 6.292 82 2HB LYS 13 2HB LYS 13 1.814 -6.644 4.604 83 1HG LYS 13 1HG LYS 13 -0.078 -8.240 4.520 84 2HG LYS 13 2HG LYS 13 0.231 -8.729 6.185 85 1HD LYS 13 1HD LYS 13 -0.528 -5.916 5.268 86 2HD LYS 13 2HD LYS 13 -1.663 -7.099 5.905 87 1HE LYS 13 1HE LYS 13 0.699 -5.964 7.468 88 2HE LYS 13 2HE LYS 13 -0.951 -5.353 7.552 89 1HZ LYS 13 1HZ LYS 13 -1.661 -7.539 8.365 90 2HZ LYS 13 2HZ LYS 13 -0.126 -8.102 8.324 91 3HZ LYS 13 3HZ LYS 13 -0.531 -6.902 9.351 92 H LYS 14 H LYS 14 2.456 -11.067 4.233 93 HA LYS 14 HA LYS 14 2.351 -10.927 1.359 94 1HB LYS 14 1HB LYS 14 1.428 -13.072 3.319 95 2HB LYS 14 2HB LYS 14 1.389 -13.244 1.555 96 1HG LYS 14 1HG LYS 14 3.802 -12.928 1.408 97 2HG LYS 14 2HG LYS 14 3.911 -12.695 3.169 98 1HD LYS 14 1HD LYS 14 3.081 -15.000 3.525 99 2HD LYS 14 2HD LYS 14 2.967 -15.232 1.765 100 1HE LYS 14 1HE LYS 14 5.407 -14.794 1.555 101 2HE LYS 14 2HE LYS 14 5.520 -14.562 3.302 102 1HZ LYS 14 1HZ LYS 14 4.707 -17.094 1.974 103 2HZ LYS 14 2HZ LYS 14 6.157 -16.817 2.665 104 3HZ LYS 14 3HZ LYS 14 4.815 -16.880 3.590 105 H CYS 15 H CYS 15 0.745 -10.927 0.003 106 HA CYS 15 HA CYS 15 -2.121 -10.857 0.931 107 1HB CYS 15 1HB CYS 15 -2.537 -8.827 -0.394 108 2HB CYS 15 2HB CYS 15 -1.365 -8.555 0.866 109 H ARG 16 H ARG 16 -3.690 -10.929 -0.753 110 HA ARG 16 HA ARG 16 -2.899 -12.107 -3.412 111 1HB ARG 16 1HB ARG 16 -5.367 -12.732 -1.743 112 2HB ARG 16 2HB ARG 16 -5.076 -13.322 -3.370 113 1HG ARG 16 1HG ARG 16 -3.413 -14.064 -0.920 114 2HG ARG 16 2HG ARG 16 -4.731 -15.000 -1.604 115 1HD ARG 16 1HD ARG 16 -2.835 -16.055 -2.432 116 2HD ARG 16 2HD ARG 16 -3.411 -15.088 -3.800 117 HE ARG 16 HE ARG 16 -1.565 -13.487 -2.388 118 1HH1 ARG 16 1HH1 ARG 16 0.461 -13.192 -2.763 119 2HH1 ARG 16 2HH1 ARG 16 1.407 -14.349 -3.692 120 1HH2 ARG 16 1HH2 ARG 16 -1.273 -16.473 -4.180 121 2HH2 ARG 16 2HH2 ARG 16 0.423 -16.190 -4.492 122 H ARG 17 H ARG 17 -4.701 -9.680 -1.687 123 HA ARG 17 HA ARG 17 -5.345 -8.301 -4.222 124 1HB ARG 17 1HB ARG 17 -7.702 -7.842 -3.500 125 2HB ARG 17 2HB ARG 17 -7.422 -9.493 -4.007 126 1HG ARG 17 1HG ARG 17 -7.235 -8.818 -1.061 127 2HG ARG 17 2HG ARG 17 -8.821 -8.885 -1.815 128 1HD ARG 17 1HD ARG 17 -8.845 -11.122 -2.007 129 2HD ARG 17 2HD ARG 17 -7.156 -11.230 -2.501 130 HE ARG 17 HE ARG 17 -6.622 -10.750 -0.026 131 1HH1 ARG 17 1HH1 ARG 17 -6.748 -11.690 1.849 132 2HH1 ARG 17 2HH1 ARG 17 -7.755 -13.112 2.108 133 1HH2 ARG 17 1HH2 ARG 17 -9.211 -12.902 -1.020 134 2HH2 ARG 17 2HH2 ARG 17 -9.164 -13.756 0.501 135 H ASP 18 H ASP 18 -6.293 -6.074 -3.725 136 HA ASP 18 HA ASP 18 -4.370 -4.723 -2.050 137 1HB ASP 18 1HB ASP 18 -6.938 -3.603 -3.227 138 2HB ASP 18 2HB ASP 18 -5.539 -2.680 -2.661 139 H SER 19 H SER 19 -7.518 -5.970 -1.390 140 HA SER 19 HA SER 19 -8.269 -4.423 0.916 141 1HB SER 19 1HB SER 19 -9.010 -7.296 0.239 142 2HB SER 19 2HB SER 19 -9.872 -6.207 1.343 143 HG SER 19 HG SER 19 -10.860 -6.259 -0.719 144 H ASP 20 H ASP 20 -5.908 -6.865 0.517 145 HA ASP 20 HA ASP 20 -5.722 -7.832 3.287 146 1HB ASP 20 1HB ASP 20 -3.897 -7.893 0.876 147 2HB ASP 20 2HB ASP 20 -3.443 -8.676 2.343 148 H CYS 21 H CYS 21 -4.754 -4.888 1.756 149 HA CYS 21 HA CYS 21 -2.442 -4.542 3.594 150 1HB CYS 21 1HB CYS 21 -2.986 -3.298 0.887 151 2HB CYS 21 2HB CYS 21 -1.509 -3.151 1.845 152 HA PRO 22 HA PRO 22 -3.907 -0.747 5.473 153 1HB PRO 22 1HB PRO 22 -1.172 0.321 4.737 154 2HB PRO 22 2HB PRO 22 -2.056 0.469 6.287 155 1HG PRO 22 1HG PRO 22 -0.122 -1.401 6.045 156 2HG PRO 22 2HG PRO 22 -1.680 -1.835 6.812 157 1HD PRO 22 1HD PRO 22 -0.764 -2.389 3.981 158 2HD PRO 22 2HD PRO 22 -1.588 -3.461 5.149 159 H GLY 23 H GLY 23 -4.062 1.609 5.178 160 1HA GLY 23 1HA GLY 23 -4.633 3.543 4.028 161 2HA GLY 23 2HA GLY 23 -5.787 2.391 3.373 162 H ALA 24 H ALA 24 -2.427 3.480 2.754 163 HA ALA 24 HA ALA 24 -3.135 4.049 -0.089 164 1HB ALA 24 1HB ALA 24 -2.181 5.884 1.175 165 2HB ALA 24 2HB ALA 24 -1.066 5.384 -0.091 166 3HB ALA 24 3HB ALA 24 -0.744 4.908 1.583 167 H CYS 25 H CYS 25 -2.019 1.359 1.426 168 HA CYS 25 HA CYS 25 0.109 0.644 -0.470 169 1HB CYS 25 1HB CYS 25 -1.503 -1.087 1.422 170 2HB CYS 25 2HB CYS 25 -0.090 -1.586 0.504 171 H ILE 26 H ILE 26 -0.128 -1.284 -1.708 172 HA ILE 26 HA ILE 26 -2.764 -2.235 -2.653 173 HB ILE 26 HB ILE 26 -1.778 -2.424 -4.970 174 1HG1 ILE 26 1HG1 ILE 26 0.274 -0.372 -4.075 175 2HG1 ILE 26 2HG1 ILE 26 0.633 -2.085 -4.183 176 1HG2 ILE 26 1HG2 ILE 26 -3.443 -0.712 -4.375 177 2HG2 ILE 26 2HG2 ILE 26 -2.154 0.420 -3.939 178 3HG2 ILE 26 3HG2 ILE 26 -2.341 -0.125 -5.622 179 1HD1 ILE 26 1HD1 ILE 26 -0.301 -0.434 -6.556 180 2HD1 ILE 26 2HD1 ILE 26 1.375 -0.821 -6.172 181 3HD1 ILE 26 3HD1 ILE 26 0.251 -2.140 -6.553 182 H CYS 27 H CYS 27 -2.437 -4.379 -3.731 183 HA CYS 27 HA CYS 27 -0.287 -5.942 -2.398 184 1HB CYS 27 1HB CYS 27 -2.609 -6.771 -2.463 185 2HB CYS 27 2HB CYS 27 -2.523 -6.899 -4.229 186 H ARG 28 H ARG 28 1.595 -5.637 -3.325 187 HA ARG 28 HA ARG 28 2.022 -4.655 -6.020 188 1HB ARG 28 1HB ARG 28 3.958 -5.797 -3.952 189 2HB ARG 28 2HB ARG 28 4.448 -4.916 -5.384 190 1HG ARG 28 1HG ARG 28 2.734 -3.721 -3.160 191 2HG ARG 28 2HG ARG 28 4.488 -3.644 -3.194 192 1HD ARG 28 1HD ARG 28 2.720 -2.514 -5.389 193 2HD ARG 28 2HD ARG 28 3.315 -1.579 -4.009 194 HE ARG 28 HE ARG 28 5.494 -2.889 -5.372 195 1HH1 ARG 28 1HH1 ARG 28 6.808 -1.902 -6.829 196 2HH1 ARG 28 2HH1 ARG 28 6.448 -0.283 -7.358 197 1HH2 ARG 28 1HH2 ARG 28 3.617 0.083 -5.475 198 2HH2 ARG 28 2HH2 ARG 28 4.663 0.767 -6.687 199 H GLY 29 H GLY 29 3.727 -5.768 -7.356 200 1HA GLY 29 1HA GLY 29 4.024 -7.376 -9.029 201 2HA GLY 29 2HA GLY 29 2.530 -8.138 -8.487 202 H ASN 30 H ASN 30 4.967 -7.776 -6.120 203 HA ASN 30 HA ASN 30 6.189 -10.439 -6.440 204 1HB ASN 30 1HB ASN 30 7.540 -9.856 -4.548 205 2HB ASN 30 2HB ASN 30 7.490 -8.482 -5.649 206 2HD2 ASN 30 2HD2 ASN 30 8.388 -7.843 -3.236 207 1HD2 ASN 30 1HD2 ASN 30 7.123 -7.063 -2.290 208 H GLY 31 H GLY 31 3.241 -9.425 -5.074 209 1HA GLY 31 1HA GLY 31 2.876 -12.030 -3.700 210 2HA GLY 31 2HA GLY 31 1.627 -10.867 -4.124 211 H TYR 32 H TYR 32 3.561 -8.766 -2.741 212 HA TYR 32 HA TYR 32 2.451 -9.153 0.010 213 1HB TYR 32 1HB TYR 32 5.151 -8.026 -0.715 214 2HB TYR 32 2HB TYR 32 4.496 -8.107 0.896 215 HD1 TYR 32 HD1 TYR 32 5.712 -10.246 -1.952 216 HD2 TYR 32 HD2 TYR 32 4.976 -9.925 2.263 217 HE1 TYR 32 HE1 TYR 32 6.995 -12.338 -1.580 218 HE2 TYR 32 HE2 TYR 32 6.351 -11.966 2.671 219 HH TYR 32 HH TYR 32 7.847 -13.795 -0.027 220 H CYS 33 H CYS 33 2.300 -7.108 1.225 221 HA CYS 33 HA CYS 33 1.044 -5.031 -0.319 222 1HB CYS 33 1HB CYS 33 1.942 -5.168 2.583 223 2HB CYS 33 2HB CYS 33 0.922 -3.893 1.919 224 H GLY 34 H GLY 34 1.684 -2.943 -0.806 225 1HA GLY 34 1HA GLY 34 4.350 -2.215 -1.350 226 2HA GLY 34 2HA GLY 34 3.978 -1.591 0.263 No H/Q in entry = 226 Start of MODEL 30 1 H SER 1 H SER 1 4.410 0.528 -1.224 2 HA SER 1 HA SER 1 2.024 1.959 -1.230 3 1HB SER 1 1HB SER 1 4.592 2.654 -2.693 4 2HB SER 1 2HB SER 1 3.264 3.776 -2.333 5 HG SER 1 HG SER 1 4.690 3.992 -0.678 6 H GLY 2 H GLY 2 0.449 2.509 -2.670 7 1HA GLY 2 1HA GLY 2 -0.768 1.878 -4.716 8 2HA GLY 2 2HA GLY 2 0.756 1.765 -5.570 9 H SER 3 H SER 3 0.687 4.482 -3.489 10 HA SER 3 HA SER 3 -0.036 6.361 -5.692 11 1HB SER 3 1HB SER 3 -0.409 8.015 -3.979 12 2HB SER 3 2HB SER 3 -1.331 6.559 -3.580 13 HG SER 3 HG SER 3 -0.222 7.385 -1.761 14 H ASP 4 H ASP 4 1.241 8.490 -5.475 15 HA ASP 4 HA ASP 4 4.070 8.029 -5.843 16 1HB ASP 4 1HB ASP 4 2.691 9.743 -7.017 17 2HB ASP 4 2HB ASP 4 2.501 10.613 -5.496 18 H GLY 5 H GLY 5 2.212 8.600 -2.997 19 1HA GLY 5 1HA GLY 5 4.132 10.106 -1.434 20 2HA GLY 5 2HA GLY 5 4.226 8.378 -1.074 21 H GLY 6 H GLY 6 2.598 7.415 0.103 22 1HA GLY 6 1HA GLY 6 0.003 7.900 0.609 23 2HA GLY 6 2HA GLY 6 0.747 9.159 1.603 24 H VAL 7 H VAL 7 -0.768 7.458 2.872 25 HA VAL 7 HA VAL 7 0.936 6.263 4.868 26 HB VAL 7 HB VAL 7 -1.263 5.528 5.896 27 1HG1 VAL 7 1HG1 VAL 7 -0.054 7.549 6.567 28 2HG1 VAL 7 2HG1 VAL 7 -0.858 8.482 5.287 29 3HG1 VAL 7 3HG1 VAL 7 -1.804 7.802 6.627 30 1HG2 VAL 7 1HG2 VAL 7 -2.663 5.607 3.772 31 2HG2 VAL 7 2HG2 VAL 7 -3.326 6.513 5.138 32 3HG2 VAL 7 3HG2 VAL 7 -2.527 7.374 3.813 33 H CYS 8 H CYS 8 2.085 4.834 3.409 34 HA CYS 8 HA CYS 8 0.940 2.102 3.705 35 1HB CYS 8 1HB CYS 8 0.906 2.600 1.340 36 2HB CYS 8 2HB CYS 8 2.629 2.990 1.351 37 HA PRO 9 HA PRO 9 4.584 2.207 6.417 38 1HB PRO 9 1HB PRO 9 3.523 -0.556 7.010 39 2HB PRO 9 2HB PRO 9 4.138 0.682 8.148 40 1HG PRO 9 1HG PRO 9 1.482 0.319 7.855 41 2HG PRO 9 2HG PRO 9 2.142 1.991 7.886 42 1HD PRO 9 1HD PRO 9 1.387 0.314 5.475 43 2HD PRO 9 2HD PRO 9 0.982 2.019 5.844 44 H LYS 10 H LYS 10 4.109 0.028 3.804 45 HA LYS 10 HA LYS 10 5.339 -1.573 2.690 46 1HB LYS 10 1HB LYS 10 7.622 0.280 3.438 47 2HB LYS 10 2HB LYS 10 7.688 -0.998 2.223 48 1HG LYS 10 1HG LYS 10 5.911 0.155 0.912 49 2HG LYS 10 2HG LYS 10 5.904 1.468 2.109 50 1HD LYS 10 1HD LYS 10 8.341 1.845 1.680 51 2HD LYS 10 2HD LYS 10 8.298 0.580 0.433 52 1HE LYS 10 1HE LYS 10 6.593 1.892 -0.817 53 2HE LYS 10 2HE LYS 10 6.648 3.143 0.428 54 1HZ LYS 10 1HZ LYS 10 8.996 3.504 -0.130 55 2HZ LYS 10 2HZ LYS 10 8.948 2.345 -1.282 56 3HZ LYS 10 3HZ LYS 10 8.072 3.711 -1.458 57 H ILE 11 H ILE 11 4.804 -3.186 4.207 58 HA ILE 11 HA ILE 11 7.138 -4.313 5.695 59 HB ILE 11 HB ILE 11 5.781 -5.095 7.452 60 1HG1 ILE 11 1HG1 ILE 11 3.696 -5.682 6.489 61 2HG1 ILE 11 2HG1 ILE 11 3.432 -4.576 7.816 62 1HG2 ILE 11 1HG2 ILE 11 6.674 -2.842 7.672 63 2HG2 ILE 11 2HG2 ILE 11 5.171 -2.155 7.037 64 3HG2 ILE 11 3HG2 ILE 11 5.162 -3.037 8.573 65 1HD1 ILE 11 1HD1 ILE 11 3.049 -2.724 6.130 66 2HD1 ILE 11 2HD1 ILE 11 3.145 -3.958 4.847 67 3HD1 ILE 11 3HD1 ILE 11 1.877 -4.048 6.071 68 H LEU 12 H LEU 12 6.963 -6.635 6.137 69 HA LEU 12 HA LEU 12 6.536 -8.096 3.673 70 1HB LEU 12 1HB LEU 12 7.435 -9.036 6.419 71 2HB LEU 12 2HB LEU 12 7.516 -9.989 4.938 72 HG LEU 12 HG LEU 12 9.059 -7.406 5.433 73 1HD1 LEU 12 1HD1 LEU 12 9.849 -9.314 6.785 74 2HD1 LEU 12 2HD1 LEU 12 9.977 -10.307 5.316 75 3HD1 LEU 12 3HD1 LEU 12 11.016 -8.881 5.527 76 1HD2 LEU 12 1HD2 LEU 12 9.132 -9.373 3.098 77 2HD2 LEU 12 2HD2 LEU 12 8.618 -7.670 3.032 78 3HD2 LEU 12 3HD2 LEU 12 10.304 -8.064 3.373 79 H LYS 13 H LYS 13 4.064 -7.141 4.787 80 HA LYS 13 HA LYS 13 2.456 -9.473 5.615 81 1HB LYS 13 1HB LYS 13 1.861 -7.189 6.312 82 2HB LYS 13 2HB LYS 13 1.607 -6.713 4.625 83 1HG LYS 13 1HG LYS 13 -0.214 -8.363 4.413 84 2HG LYS 13 2HG LYS 13 0.089 -8.957 6.048 85 1HD LYS 13 1HD LYS 13 -0.820 -6.125 5.355 86 2HD LYS 13 2HD LYS 13 -1.878 -7.453 5.866 87 1HE LYS 13 1HE LYS 13 -0.587 -7.637 8.002 88 2HE LYS 13 2HE LYS 13 0.362 -6.221 7.528 89 1HZ LYS 13 1HZ LYS 13 -2.585 -6.244 7.918 90 2HZ LYS 13 2HZ LYS 13 -1.504 -5.615 8.964 91 3HZ LYS 13 3HZ LYS 13 -1.707 -4.930 7.497 92 H LYS 14 H LYS 14 2.606 -11.077 4.140 93 HA LYS 14 HA LYS 14 2.443 -10.797 1.277 94 1HB LYS 14 1HB LYS 14 2.124 -13.170 1.205 95 2HB LYS 14 2HB LYS 14 3.424 -12.767 2.322 96 1HG LYS 14 1HG LYS 14 1.786 -13.049 4.237 97 2HG LYS 14 2HG LYS 14 0.594 -13.633 3.070 98 1HD LYS 14 1HD LYS 14 3.327 -14.890 3.590 99 2HD LYS 14 2HD LYS 14 1.794 -15.448 4.274 100 1HE LYS 14 1HE LYS 14 0.917 -15.862 1.979 101 2HE LYS 14 2HE LYS 14 2.465 -15.345 1.299 102 1HZ LYS 14 1HZ LYS 14 2.097 -17.670 3.113 103 2HZ LYS 14 2HZ LYS 14 2.357 -17.758 1.505 104 3HZ LYS 14 3HZ LYS 14 3.529 -17.189 2.485 105 H CYS 15 H CYS 15 0.821 -10.972 -0.061 106 HA CYS 15 HA CYS 15 -2.023 -11.054 0.934 107 1HB CYS 15 1HB CYS 15 -2.505 -8.966 -0.302 108 2HB CYS 15 2HB CYS 15 -1.349 -8.749 0.977 109 H ARG 16 H ARG 16 -3.620 -10.901 -0.782 110 HA ARG 16 HA ARG 16 -2.880 -11.975 -3.468 111 1HB ARG 16 1HB ARG 16 -4.795 -13.485 -3.457 112 2HB ARG 16 2HB ARG 16 -3.648 -13.891 -2.180 113 1HG ARG 16 1HG ARG 16 -5.101 -12.820 -0.492 114 2HG ARG 16 2HG ARG 16 -6.245 -12.333 -1.760 115 1HD ARG 16 1HD ARG 16 -6.657 -14.701 -2.307 116 2HD ARG 16 2HD ARG 16 -5.482 -15.198 -1.070 117 HE ARG 16 HE ARG 16 -7.405 -13.531 0.191 118 1HH1 ARG 16 1HH1 ARG 16 -9.048 -14.304 1.438 119 2HH1 ARG 16 2HH1 ARG 16 -9.590 -15.949 1.244 120 1HH2 ARG 16 1HH2 ARG 16 -7.361 -16.722 -1.243 121 2HH2 ARG 16 2HH2 ARG 16 -8.665 -17.290 -0.231 122 H ARG 17 H ARG 17 -4.704 -9.723 -1.617 123 HA ARG 17 HA ARG 17 -5.534 -8.393 -4.131 124 1HB ARG 17 1HB ARG 17 -7.476 -9.833 -2.988 125 2HB ARG 17 2HB ARG 17 -7.534 -8.447 -1.876 126 1HG ARG 17 1HG ARG 17 -8.105 -6.935 -3.636 127 2HG ARG 17 2HG ARG 17 -7.733 -8.144 -4.882 128 1HD ARG 17 1HD ARG 17 -10.089 -8.051 -4.758 129 2HD ARG 17 2HD ARG 17 -9.617 -9.554 -3.952 130 HE ARG 17 HE ARG 17 -9.957 -7.229 -2.149 131 1HH1 ARG 17 1HH1 ARG 17 -11.536 -7.103 -0.771 132 2HH1 ARG 17 2HH1 ARG 17 -12.918 -8.187 -0.833 133 1HH2 ARG 17 1HH2 ARG 17 -11.753 -9.860 -3.617 134 2HH2 ARG 17 2HH2 ARG 17 -13.032 -9.722 -2.436 135 H ASP 18 H ASP 18 -6.440 -6.213 -3.547 136 HA ASP 18 HA ASP 18 -4.382 -4.762 -2.024 137 1HB ASP 18 1HB ASP 18 -6.939 -3.672 -3.257 138 2HB ASP 18 2HB ASP 18 -5.540 -2.734 -2.712 139 H SER 19 H SER 19 -7.594 -5.922 -1.345 140 HA SER 19 HA SER 19 -8.288 -4.382 0.959 141 1HB SER 19 1HB SER 19 -9.006 -7.283 0.403 142 2HB SER 19 2HB SER 19 -9.914 -6.113 1.375 143 HG SER 19 HG SER 19 -10.179 -4.884 -0.609 144 H ASP 20 H ASP 20 -5.994 -6.916 0.505 145 HA ASP 20 HA ASP 20 -5.728 -7.798 3.297 146 1HB ASP 20 1HB ASP 20 -3.882 -7.920 0.905 147 2HB ASP 20 2HB ASP 20 -3.493 -8.699 2.397 148 H CYS 21 H CYS 21 -4.763 -4.919 1.657 149 HA CYS 21 HA CYS 21 -2.485 -4.442 3.517 150 1HB CYS 21 1HB CYS 21 -3.017 -3.314 0.753 151 2HB CYS 21 2HB CYS 21 -1.557 -3.109 1.722 152 HA PRO 22 HA PRO 22 -4.579 -0.906 5.149 153 1HB PRO 22 1HB PRO 22 -2.567 0.517 6.298 154 2HB PRO 22 2HB PRO 22 -2.992 -1.135 6.841 155 1HG PRO 22 1HG PRO 22 -0.813 -0.322 4.892 156 2HG PRO 22 2HG PRO 22 -0.651 -1.368 6.339 157 1HD PRO 22 1HD PRO 22 -1.002 -2.412 3.842 158 2HD PRO 22 2HD PRO 22 -1.751 -3.165 5.280 159 H GLY 23 H GLY 23 -4.823 1.372 5.107 160 1HA GLY 23 1HA GLY 23 -3.694 3.526 4.253 161 2HA GLY 23 2HA GLY 23 -5.378 3.258 3.844 162 H ALA 24 H ALA 24 -2.187 3.626 2.655 163 HA ALA 24 HA ALA 24 -3.208 4.013 -0.108 164 1HB ALA 24 1HB ALA 24 -2.098 5.883 1.114 165 2HB ALA 24 2HB ALA 24 -1.266 5.436 -0.386 166 3HB ALA 24 3HB ALA 24 -0.602 4.913 1.170 167 H CYS 25 H CYS 25 -1.858 1.407 1.419 168 HA CYS 25 HA CYS 25 0.132 0.646 -0.573 169 1HB CYS 25 1HB CYS 25 -1.400 -1.050 1.411 170 2HB CYS 25 2HB CYS 25 0.009 -1.548 0.485 171 H ILE 26 H ILE 26 -0.111 -1.280 -1.777 172 HA ILE 26 HA ILE 26 -2.761 -2.309 -2.615 173 HB ILE 26 HB ILE 26 -1.852 -2.516 -4.954 174 1HG1 ILE 26 1HG1 ILE 26 0.209 -0.427 -4.187 175 2HG1 ILE 26 2HG1 ILE 26 0.587 -2.141 -4.247 176 1HG2 ILE 26 1HG2 ILE 26 -3.506 -0.801 -4.333 177 2HG2 ILE 26 2HG2 ILE 26 -2.205 0.342 -3.960 178 3HG2 ILE 26 3HG2 ILE 26 -2.447 -0.231 -5.625 179 1HD1 ILE 26 1HD1 ILE 26 -0.429 -0.550 -6.625 180 2HD1 ILE 26 2HD1 ILE 26 1.253 -0.994 -6.309 181 3HD1 ILE 26 3HD1 ILE 26 0.065 -2.275 -6.606 182 H CYS 27 H CYS 27 -2.412 -4.465 -3.695 183 HA CYS 27 HA CYS 27 -0.205 -5.971 -2.384 184 1HB CYS 27 1HB CYS 27 -2.524 -6.825 -2.424 185 2HB CYS 27 2HB CYS 27 -2.429 -7.002 -4.183 186 H ARG 28 H ARG 28 1.648 -5.618 -3.346 187 HA ARG 28 HA ARG 28 2.033 -4.672 -6.055 188 1HB ARG 28 1HB ARG 28 3.993 -5.763 -3.981 189 2HB ARG 28 2HB ARG 28 4.471 -4.904 -5.431 190 1HG ARG 28 1HG ARG 28 2.735 -3.673 -3.241 191 2HG ARG 28 2HG ARG 28 4.489 -3.604 -3.242 192 1HD ARG 28 1HD ARG 28 2.770 -2.505 -5.495 193 2HD ARG 28 2HD ARG 28 3.336 -1.550 -4.117 194 HE ARG 28 HE ARG 28 5.544 -2.897 -5.402 195 1HH1 ARG 28 1HH1 ARG 28 6.913 -1.935 -6.821 196 2HH1 ARG 28 2HH1 ARG 28 6.581 -0.322 -7.384 197 1HH2 ARG 28 1HH2 ARG 28 3.688 0.082 -5.603 198 2HH2 ARG 28 2HH2 ARG 28 4.780 0.748 -6.786 199 H GLY 29 H GLY 29 3.769 -5.787 -7.379 200 1HA GLY 29 1HA GLY 29 4.058 -7.402 -9.050 201 2HA GLY 29 2HA GLY 29 2.555 -8.147 -8.510 202 H ASN 30 H ASN 30 5.005 -7.807 -6.153 203 HA ASN 30 HA ASN 30 6.170 -10.502 -6.440 204 1HB ASN 30 1HB ASN 30 7.536 -9.920 -4.561 205 2HB ASN 30 2HB ASN 30 7.517 -8.558 -5.679 206 2HD2 ASN 30 2HD2 ASN 30 8.413 -7.986 -3.208 207 1HD2 ASN 30 1HD2 ASN 30 7.167 -7.128 -2.309 208 H GLY 31 H GLY 31 3.239 -9.412 -5.112 209 1HA GLY 31 1HA GLY 31 2.808 -11.975 -3.688 210 2HA GLY 31 2HA GLY 31 1.598 -10.771 -4.107 211 H TYR 32 H TYR 32 3.494 -8.657 -2.796 212 HA TYR 32 HA TYR 32 2.509 -9.046 0.004 213 1HB TYR 32 1HB TYR 32 5.214 -8.116 -0.943 214 2HB TYR 32 2HB TYR 32 4.654 -7.875 0.697 215 HD1 TYR 32 HD1 TYR 32 5.604 -10.494 -1.808 216 HD2 TYR 32 HD2 TYR 32 4.913 -9.545 2.328 217 HE1 TYR 32 HE1 TYR 32 6.601 -12.673 -1.150 218 HE2 TYR 32 HE2 TYR 32 5.955 -11.709 3.005 219 HH TYR 32 HH TYR 32 7.190 -14.049 0.585 220 H CYS 33 H CYS 33 2.294 -7.056 1.219 221 HA CYS 33 HA CYS 33 1.045 -4.964 -0.295 222 1HB CYS 33 1HB CYS 33 1.903 -5.127 2.617 223 2HB CYS 33 2HB CYS 33 0.886 -3.850 1.947 224 H GLY 34 H GLY 34 1.708 -2.946 -0.900 225 1HA GLY 34 1HA GLY 34 4.363 -2.189 -1.382 226 2HA GLY 34 2HA GLY 34 3.959 -1.518 0.206 No H/Q in entry = 226
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