NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9672 | 1omc | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H CYS 1 1H CYS 1 10.996 -1.261 -1.261 2 2H CYS 1 2H CYS 1 10.976 -1.364 -1.364 3 3H CYS 1 3H CYS 1 10.741 -2.577 -2.577 4 HA CYS 1 HA CYS 1 8.892 -0.308 -0.308 5 1HB CYS 1 1HB CYS 1 7.521 -1.421 -1.421 6 2HB CYS 1 2HB CYS 1 9.158 -1.673 -1.673 7 H LYS 2 H LYS 2 6.638 -1.197 -1.197 8 HA LYS 2 HA LYS 2 6.663 -3.264 -3.264 9 1HB LYS 2 1HB LYS 2 4.602 -1.268 -1.268 10 2HB LYS 2 2HB LYS 2 4.165 -2.712 -2.712 11 1HG LYS 2 1HG LYS 2 5.833 -2.134 -2.134 12 2HG LYS 2 2HG LYS 2 6.315 -0.709 -0.709 13 1HD LYS 2 1HD LYS 2 4.033 0.207 0.207 14 2HD LYS 2 2HD LYS 2 3.556 -1.215 -1.215 15 1HE LYS 2 1HE LYS 2 5.118 -0.650 -0.650 16 2HE LYS 2 2HE LYS 2 5.834 0.644 0.644 17 1HZ LYS 2 1HZ LYS 2 3.045 0.629 0.629 18 2HZ LYS 2 2HZ LYS 2 4.097 1.510 1.510 19 3HZ LYS 2 3HZ LYS 2 3.647 1.718 1.718 20 H SER 3 H SER 3 6.008 -5.134 -5.134 21 HA SER 3 HA SER 3 5.362 -6.627 -6.627 22 1HB SER 3 1HB SER 3 4.253 -7.185 -7.185 23 2HB SER 3 2HB SER 3 4.831 -8.359 -8.359 24 HG SER 3 HG SER 3 6.359 -8.106 -8.106 25 HA HYP 4 HA HYP 4 0.985 -5.784 -5.784 26 1HB HYP 4 1HB HYP 4 1.272 -8.751 -8.751 27 2HB HYP 4 2HB HYP 4 0.405 -7.513 -7.513 28 HG HYP 4 HG HYP 4 2.818 -8.299 -8.299 29 HD1 HYP 4 HD1 HYP 4 3.380 -6.161 -6.161 30 1HD2 HYP 4 1HD2 HYP 4 4.233 -6.248 -6.248 31 2HD2 HYP 4 2HD2 HYP 4 4.233 -7.930 -7.930 32 H GLY 5 H GLY 5 -0.933 -6.122 -6.122 33 1HA GLY 5 1HA GLY 5 -2.473 -6.716 -6.716 34 2HA GLY 5 2HA GLY 5 -1.315 -7.900 -7.900 35 H SER 6 H SER 6 0.705 -5.577 -5.577 36 HA SER 6 HA SER 6 0.247 -5.114 -5.114 37 1HB SER 6 1HB SER 6 2.469 -3.958 -3.958 38 2HB SER 6 2HB SER 6 2.429 -4.055 -4.055 39 HG SER 6 HG SER 6 3.753 -5.788 -5.788 40 H SER 7 H SER 7 -0.019 -3.603 -3.603 41 HA SER 7 HA SER 7 -1.635 -1.412 -1.412 42 1HB SER 7 1HB SER 7 0.118 -2.047 -2.047 43 2HB SER 7 2HB SER 7 -1.164 -0.823 -0.823 44 HG SER 7 HG SER 7 -1.925 -2.882 -2.882 45 H CYS 8 H CYS 8 -1.056 0.217 0.217 46 HA CYS 8 HA CYS 8 1.488 1.633 1.633 47 1HB CYS 8 1HB CYS 8 1.394 1.791 1.791 48 2HB CYS 8 2HB CYS 8 1.700 0.164 0.164 49 H SER 9 H SER 9 1.419 3.761 3.761 50 HA SER 9 HA SER 9 -1.111 5.154 5.154 51 1HB SER 9 1HB SER 9 0.465 7.159 7.159 52 2HB SER 9 2HB SER 9 0.286 6.409 6.409 53 HG SER 9 HG SER 9 2.566 6.734 6.734 54 HA HYP 10 HA HYP 10 -2.318 4.742 4.742 55 1HB HYP 10 1HB HYP 10 -3.688 7.354 7.354 56 2HB HYP 10 2HB HYP 10 -4.332 5.969 5.969 57 HG HYP 10 HG HYP 10 -4.955 6.179 6.179 58 HD1 HYP 10 HD1 HYP 10 -4.819 3.829 3.829 59 1HD2 HYP 10 1HD2 HYP 10 -2.853 4.788 4.788 60 2HD2 HYP 10 2HD2 HYP 10 -2.820 6.558 6.558 61 H THR 11 H THR 11 -1.540 8.100 8.100 62 HA THR 11 HA THR 11 -1.038 8.989 8.989 63 HB THR 11 HB THR 11 0.135 10.932 10.932 64 HG1 THR 11 HG1 THR 11 -0.221 11.095 11.095 65 1HG2 THR 11 1HG2 THR 11 -2.731 10.240 10.240 66 2HG2 THR 11 2HG2 THR 11 -2.014 11.859 11.859 67 3HG2 THR 11 3HG2 THR 11 -2.212 11.017 11.017 68 H SER 12 H SER 12 1.280 7.891 7.891 69 HA SER 12 HA SER 12 3.632 8.588 8.588 70 1HB SER 12 1HB SER 12 4.655 6.911 6.911 71 2HB SER 12 2HB SER 12 3.872 8.364 8.364 72 HG SER 12 HG SER 12 3.198 6.396 6.396 73 H TYR 13 H TYR 13 1.478 5.960 5.960 74 HA TYR 13 HA TYR 13 1.470 3.828 3.828 75 1HB TYR 13 1HB TYR 13 2.787 5.533 5.533 76 2HB TYR 13 2HB TYR 13 2.284 3.855 3.855 77 HD1 TYR 13 HD2 TYR 13 -0.222 3.258 3.258 78 HD2 TYR 13 HD1 TYR 13 1.313 7.314 7.314 79 HE1 TYR 13 HE2 TYR 13 -2.541 4.129 4.129 80 HE2 TYR 13 HE1 TYR 13 -1.008 8.186 8.186 81 HH TYR 13 HH TYR 13 -3.850 5.880 5.880 82 H ASN 14 H ASN 14 3.289 3.733 3.733 83 HA ASN 14 HA ASN 14 5.907 3.028 3.028 84 1HB ASN 14 1HB ASN 14 6.484 2.789 2.789 85 2HB ASN 14 2HB ASN 14 5.886 4.373 4.373 86 1HD2 ASN 14 1HD2 ASN 14 5.770 2.151 2.151 87 2HD2 ASN 14 2HD2 ASN 14 4.363 2.552 2.552 88 H CYS 15 H CYS 15 4.091 1.234 1.234 89 HA CYS 15 HA CYS 15 4.753 -1.367 -1.367 90 1HB CYS 15 1HB CYS 15 2.542 -0.635 -0.635 91 2HB CYS 15 2HB CYS 15 2.779 -2.202 -2.202 92 H CYS 16 H CYS 16 5.368 -3.043 -3.043 93 HA CYS 16 HA CYS 16 6.667 -2.355 -2.355 94 1HB CYS 16 1HB CYS 16 5.883 -4.924 -4.924 95 2HB CYS 16 2HB CYS 16 6.430 -4.837 -4.837 96 H ARG 17 H ARG 17 3.512 -3.883 -3.883 97 HA ARG 17 HA ARG 17 2.464 -2.567 -2.567 98 1HB ARG 17 1HB ARG 17 1.213 -4.819 -4.819 99 2HB ARG 17 2HB ARG 17 0.487 -4.002 -4.002 100 1HG ARG 17 1HG ARG 17 2.399 -4.818 -4.818 101 2HG ARG 17 2HG ARG 17 2.960 -5.749 -5.749 102 1HD ARG 17 1HD ARG 17 0.125 -6.062 -6.062 103 2HD ARG 17 2HD ARG 17 1.456 -6.946 -6.946 104 HE ARG 17 HE ARG 17 1.764 -7.368 -7.368 105 1HH1 ARG 17 1HH1 ARG 17 -0.832 -8.269 -8.269 106 2HH1 ARG 17 2HH1 ARG 17 -1.312 -9.508 -9.508 107 1HH2 ARG 17 1HH2 ARG 17 1.068 -9.176 -9.176 108 2HH2 ARG 17 2HH2 ARG 17 -0.255 -10.013 -10.013 109 H SER 18 H SER 18 1.321 -0.948 -0.948 110 HA SER 18 HA SER 18 1.361 0.840 0.840 111 1HB SER 18 1HB SER 18 -0.439 2.035 2.035 112 2HB SER 18 2HB SER 18 0.621 1.283 1.283 113 HG SER 18 HG SER 18 -1.684 0.904 0.904 114 H CYS 19 H CYS 19 0.120 1.766 1.766 115 HA CYS 19 HA CYS 19 -1.340 0.036 0.036 116 1HB CYS 19 1HB CYS 19 0.250 1.975 1.975 117 2HB CYS 19 2HB CYS 19 -1.096 3.050 3.050 118 H ASN 20 H ASN 20 -3.443 -0.375 -0.375 119 HA ASN 20 HA ASN 20 -5.278 0.969 0.969 120 1HB ASN 20 1HB ASN 20 -5.605 -1.366 -1.366 121 2HB ASN 20 2HB ASN 20 -5.843 -0.796 -0.796 122 1HD2 ASN 20 1HD2 ASN 20 -7.831 -2.244 -2.244 123 2HD2 ASN 20 2HD2 ASN 20 -9.155 -1.363 -1.363 124 HA HYP 21 HA HYP 21 -5.506 4.539 4.539 125 1HB HYP 21 1HB HYP 21 -7.718 5.322 5.322 126 2HB HYP 21 2HB HYP 21 -6.238 6.205 6.205 127 HG HYP 21 HG HYP 21 -6.360 5.083 5.083 128 HD1 HYP 21 HD1 HYP 21 -4.082 4.422 4.422 129 1HD2 HYP 21 1HD2 HYP 21 -5.514 2.544 2.544 130 2HD2 HYP 21 2HD2 HYP 21 -7.232 2.887 2.887 131 H TYR 22 H TYR 22 -8.421 2.789 2.789 132 HA TYR 22 HA TYR 22 -10.043 3.872 3.872 133 1HB TYR 22 1HB TYR 22 -10.319 1.337 1.337 134 2HB TYR 22 2HB TYR 22 -11.561 1.983 1.983 135 HD1 TYR 22 HD2 TYR 22 -12.771 4.102 4.102 136 HD2 TYR 22 HD1 TYR 22 -9.945 2.234 2.234 137 HE1 TYR 22 HE2 TYR 22 -13.176 5.921 5.921 138 HE2 TYR 22 HE1 TYR 22 -10.319 4.077 4.077 139 HH TYR 22 HH TYR 22 -12.533 6.886 6.886 140 H THR 23 H THR 23 -7.994 1.062 1.062 141 HA THR 23 HA THR 23 -8.977 0.206 0.206 142 HB THR 23 HB THR 23 -7.943 -1.982 -1.982 143 HG1 THR 23 HG1 THR 23 -7.211 -2.388 -2.388 144 1HG2 THR 23 1HG2 THR 23 -9.870 -1.011 -1.011 145 2HG2 THR 23 2HG2 THR 23 -9.509 -2.702 -2.702 146 3HG2 THR 23 3HG2 THR 23 -10.325 -1.679 -1.679 147 H LYS 24 H LYS 24 -6.190 1.651 1.651 148 HA LYS 24 HA LYS 24 -4.173 2.230 2.230 149 1HB LYS 24 1HB LYS 24 -5.679 1.428 1.428 150 2HB LYS 24 2HB LYS 24 -3.929 1.685 1.685 151 1HG LYS 24 1HG LYS 24 -4.929 3.725 3.725 152 2HG LYS 24 2HG LYS 24 -4.299 3.939 3.939 153 1HD LYS 24 1HD LYS 24 -6.389 5.085 5.085 154 2HD LYS 24 2HD LYS 24 -6.592 3.697 3.697 155 1HE LYS 24 1HE LYS 24 -7.600 2.417 2.417 156 2HE LYS 24 2HE LYS 24 -7.467 3.859 3.859 157 1HZ LYS 24 1HZ LYS 24 -9.050 3.734 3.734 158 2HZ LYS 24 2HZ LYS 24 -9.634 3.734 3.734 159 3HZ LYS 24 3HZ LYS 24 -8.938 4.948 4.948 160 H ARG 25 H ARG 25 -4.548 -0.284 -0.284 161 HA ARG 25 HA ARG 25 -2.476 -2.011 -2.011 162 1HB ARG 25 1HB ARG 25 -5.270 -2.787 -2.787 163 2HB ARG 25 2HB ARG 25 -3.941 -3.959 -3.959 164 1HG ARG 25 1HG ARG 25 -3.605 -3.764 -3.764 165 2HG ARG 25 2HG ARG 25 -4.668 -2.350 -2.350 166 1HD ARG 25 1HD ARG 25 -5.917 -4.793 -4.793 167 2HD ARG 25 2HD ARG 25 -5.484 -4.893 -4.893 168 HE ARG 25 HE ARG 25 -6.646 -2.525 -2.525 169 1HH1 ARG 25 1HH2 ARG 25 -7.972 -5.311 -5.311 170 2HH1 ARG 25 2HH2 ARG 25 -9.524 -4.846 -4.846 171 1HH2 ARG 25 1HH1 ARG 25 -8.787 -1.960 -1.960 172 2HH2 ARG 25 2HH1 ARG 25 -9.984 -2.953 -2.953 173 H CYS 26 H CYS 26 -1.124 -2.779 -2.779 174 HA CYS 26 HA CYS 26 -0.929 -1.823 -1.823 175 1HB CYS 26 1HB CYS 26 0.390 -4.274 -4.274 176 2HB CYS 26 2HB CYS 26 0.928 -3.371 -3.371 177 H TYR 27 H TYR 27 -1.651 -2.593 -2.593 178 HA TYR 27 HA TYR 27 -3.352 -4.841 -4.841 179 1HB TYR 27 1HB TYR 27 -1.939 -3.258 -3.258 180 2HB TYR 27 2HB TYR 27 -3.006 -4.631 -4.631 181 HD1 TYR 27 HD2 TYR 27 -5.367 -4.306 -4.306 182 HD2 TYR 27 HD1 TYR 27 -2.868 -1.320 -1.320 183 HE1 TYR 27 HE2 TYR 27 -7.359 -2.796 -2.796 184 HE2 TYR 27 HE1 TYR 27 -4.842 0.211 0.211 185 HH TYR 27 HH TYR 27 -8.133 -0.821 -0.821 186 1H NH2 28 1H1 TYR 27 -2.995 -6.898 -6.898 187 2H NH2 28 2H1 TYR 27 -1.532 -7.625 -7.625 Start of MODEL 2 1 1H CYS 1 1H CYS 28 10.981 -1.239 -1.239 2 2H CYS 1 2H CYS 28 10.965 -1.808 -1.808 3 3H CYS 1 3H CYS 28 10.894 -2.714 -2.714 4 HA CYS 1 HA CYS 28 8.764 -0.841 -0.841 5 1HB CYS 1 1HB CYS 28 7.483 -1.785 -1.785 6 2HB CYS 1 2HB CYS 28 9.046 -1.226 -1.226 7 H LYS 2 H LYS 29 6.846 -1.636 -1.636 8 HA LYS 2 HA LYS 29 7.082 -3.900 -3.900 9 1HB LYS 2 1HB LYS 29 5.308 -1.533 -1.533 10 2HB LYS 2 2HB LYS 29 4.739 -2.968 -2.968 11 1HG LYS 2 1HG LYS 29 7.382 -1.595 -1.595 12 2HG LYS 2 2HG LYS 29 5.881 -1.249 -1.249 13 1HD LYS 2 1HD LYS 29 5.734 -3.618 -3.618 14 2HD LYS 2 2HD LYS 29 7.238 -3.960 -3.960 15 1HE LYS 2 1HE LYS 29 8.462 -2.443 -2.443 16 2HE LYS 2 2HE LYS 29 6.960 -2.068 -2.068 17 1HZ LYS 2 1HZ LYS 29 8.127 -4.739 -4.739 18 2HZ LYS 2 2HZ LYS 29 8.162 -3.888 -3.888 19 3HZ LYS 2 3HZ LYS 29 6.863 -4.425 -4.425 20 H SER 3 H SER 30 5.838 -5.642 -5.642 21 HA SER 3 HA SER 30 5.265 -6.871 -6.871 22 1HB SER 3 1HB SER 30 4.302 -8.691 -8.691 23 2HB SER 3 2HB SER 30 5.847 -8.122 -8.122 24 HG SER 3 HG SER 30 4.216 -8.428 -8.428 25 HA HYP 4 HA HYP 31 0.959 -5.979 -5.979 26 1HB HYP 4 1HB HYP 31 0.969 -8.972 -8.972 27 2HB HYP 4 2HB HYP 31 0.289 -7.685 -7.685 28 HG HYP 4 HG HYP 31 2.588 -8.727 -8.727 29 HD1 HYP 4 HD1 HYP 31 3.440 -6.631 -6.631 30 1HD2 HYP 4 1HD2 HYP 31 4.305 -7.039 -7.039 31 2HD2 HYP 4 2HD2 HYP 31 3.861 -8.610 -8.610 32 H GLY 5 H GLY 32 -0.651 -5.876 -5.876 33 1HA GLY 5 1HA GLY 32 -2.236 -6.652 -6.652 34 2HA GLY 5 2HA GLY 32 -1.015 -7.803 -7.803 35 H SER 6 H SER 33 1.063 -5.655 -5.655 36 HA SER 6 HA SER 33 0.695 -4.905 -4.905 37 1HB SER 6 1HB SER 33 2.829 -3.929 -3.929 38 2HB SER 6 2HB SER 33 2.900 -5.416 -5.416 39 HG SER 6 HG SER 33 4.031 -3.619 -3.619 40 H SER 7 H SER 34 0.948 -2.744 -2.744 41 HA SER 7 HA SER 34 -1.113 -1.013 -1.013 42 1HB SER 7 1HB SER 34 -0.245 0.422 0.422 43 2HB SER 7 2HB SER 34 -0.631 -1.247 -1.247 44 HG SER 7 HG SER 34 1.461 -0.546 -0.546 45 H CYS 8 H CYS 35 -1.086 0.970 0.970 46 HA CYS 8 HA CYS 35 1.179 2.512 2.512 47 1HB CYS 8 1HB CYS 35 0.653 2.415 2.415 48 2HB CYS 8 2HB CYS 35 1.049 0.799 0.799 49 H SER 9 H SER 36 0.628 4.447 4.447 50 HA SER 9 HA SER 36 -1.885 5.575 5.575 51 1HB SER 9 1HB SER 36 0.096 6.579 6.579 52 2HB SER 9 2HB SER 36 0.826 6.804 6.804 53 HG SER 9 HG SER 36 -0.122 8.829 8.829 54 HA HYP 10 HA HYP 37 -3.278 6.715 6.715 55 1HB HYP 10 1HB HYP 37 -4.110 9.316 9.316 56 2HB HYP 10 2HB HYP 37 -5.088 8.140 8.140 57 HG HYP 10 HG HYP 37 -5.106 8.494 8.494 58 HD1 HYP 10 HD1 HYP 37 -6.354 6.474 6.474 59 1HD2 HYP 10 1HD2 HYP 37 -4.075 5.845 5.845 60 2HD2 HYP 10 2HD2 HYP 37 -3.358 7.311 7.311 61 H THR 11 H THR 38 -1.289 8.771 8.771 62 HA THR 11 HA THR 38 -0.264 10.315 10.315 63 HB THR 11 HB THR 38 1.046 11.530 11.530 64 HG1 THR 11 HG1 THR 38 0.267 11.356 11.356 65 1HG2 THR 11 1HG2 THR 38 -1.990 11.586 11.586 66 2HG2 THR 11 2HG2 THR 38 -0.896 12.868 12.868 67 3HG2 THR 11 3HG2 THR 38 -1.015 12.474 12.474 68 H SER 12 H SER 39 0.614 7.487 7.487 69 HA SER 12 HA SER 39 3.358 7.583 7.583 70 1HB SER 12 1HB SER 39 2.710 6.631 6.631 71 2HB SER 12 2HB SER 39 4.261 6.439 6.439 72 HG SER 12 HG SER 39 4.247 8.364 8.364 73 H TYR 13 H TYR 40 2.845 6.260 6.260 74 HA TYR 13 HA TYR 40 1.614 3.670 3.670 75 1HB TYR 13 1HB TYR 40 3.051 5.083 5.083 76 2HB TYR 13 2HB TYR 40 2.213 3.528 3.528 77 HD1 TYR 13 HD2 TYR 40 1.717 7.214 7.214 78 HD2 TYR 13 HD1 TYR 40 -0.138 3.377 3.377 79 HE1 TYR 13 HE2 TYR 40 -0.533 8.325 8.325 80 HE2 TYR 13 HE1 TYR 40 -2.386 4.474 4.474 81 HH TYR 13 HH TYR 40 -2.737 8.066 8.066 82 H ASN 14 H ASN 41 3.350 3.466 3.466 83 HA ASN 14 HA ASN 41 6.019 2.743 2.743 84 1HB ASN 14 1HB ASN 41 6.194 2.220 2.220 85 2HB ASN 14 2HB ASN 41 5.513 3.825 3.825 86 1HD2 ASN 14 1HD2 ASN 41 4.597 0.517 0.517 87 2HD2 ASN 14 2HD2 ASN 41 3.247 0.895 0.895 88 H CYS 15 H CYS 42 4.363 1.134 1.134 89 HA CYS 15 HA CYS 42 4.408 -1.570 -1.570 90 1HB CYS 15 1HB CYS 42 2.451 -0.313 -0.313 91 2HB CYS 15 2HB CYS 42 2.415 -1.993 -1.993 92 H CYS 16 H CYS 43 5.050 -3.150 -3.150 93 HA CYS 16 HA CYS 43 6.629 -3.016 -3.016 94 1HB CYS 16 1HB CYS 43 5.218 -5.366 -5.366 95 2HB CYS 16 2HB CYS 43 6.504 -5.417 -5.417 96 H ARG 17 H ARG 44 3.260 -4.197 -4.197 97 HA ARG 17 HA ARG 44 2.725 -3.015 -3.015 98 1HB ARG 17 1HB ARG 44 1.166 -5.190 -5.190 99 2HB ARG 17 2HB ARG 44 0.679 -4.406 -4.406 100 1HG ARG 17 1HG ARG 44 2.747 -5.227 -5.227 101 2HG ARG 17 2HG ARG 44 3.185 -6.047 -6.047 102 1HD ARG 17 1HD ARG 44 0.689 -6.629 -6.629 103 2HD ARG 17 2HD ARG 44 2.183 -7.580 -7.580 104 HE ARG 17 HE ARG 44 1.645 -7.706 -7.706 105 1HH1 ARG 17 1HH2 ARG 44 -0.607 -8.231 -8.231 106 2HH1 ARG 17 2HH2 ARG 44 -1.579 -9.203 -9.203 107 1HH2 ARG 17 1HH1 ARG 44 0.152 -8.916 -8.916 108 2HH2 ARG 17 2HH1 ARG 44 -1.151 -9.587 -9.587 109 H SER 18 H SER 45 1.695 -1.286 -1.286 110 HA SER 18 HA SER 45 1.582 0.643 0.643 111 1HB SER 18 1HB SER 45 -0.428 1.575 1.575 112 2HB SER 18 2HB SER 45 0.917 1.051 1.051 113 HG SER 18 HG SER 45 -1.187 0.305 0.305 114 H CYS 19 H CYS 46 0.300 1.834 1.834 115 HA CYS 19 HA CYS 46 -1.145 0.371 0.371 116 1HB CYS 19 1HB CYS 46 -0.005 2.578 2.578 117 2HB CYS 19 2HB CYS 46 -1.346 3.348 3.348 118 H ASN 20 H ASN 47 -3.283 -0.076 -0.076 119 HA ASN 20 HA ASN 47 -5.256 1.312 1.312 120 1HB ASN 20 1HB ASN 47 -5.610 -1.127 -1.127 121 2HB ASN 20 2HB ASN 47 -5.746 -0.847 -0.847 122 1HD2 ASN 20 1HD2 ASN 47 -7.927 -1.997 -1.997 123 2HD2 ASN 20 2HD2 ASN 47 -9.181 -0.951 -0.951 124 HA HYP 21 HA HYP 48 -5.277 4.493 4.493 125 1HB HYP 21 1HB HYP 48 -7.611 5.096 5.096 126 2HB HYP 21 2HB HYP 48 -6.525 6.237 6.237 127 HG HYP 21 HG HYP 48 -5.997 5.649 5.649 128 HD1 HYP 21 HD1 HYP 48 -3.631 5.550 5.550 129 1HD2 HYP 21 1HD2 HYP 48 -4.538 3.382 3.382 130 2HD2 HYP 21 2HD2 HYP 48 -6.291 3.292 3.292 131 H TYR 22 H TYR 49 -8.063 2.667 2.667 132 HA TYR 22 HA TYR 49 -9.768 3.492 3.492 133 1HB TYR 22 1HB TYR 49 -10.247 1.528 1.528 134 2HB TYR 22 2HB TYR 49 -11.478 2.205 2.205 135 HD1 TYR 22 HD1 TYR 49 -10.945 5.103 5.103 136 HD2 TYR 22 HD2 TYR 49 -10.501 2.288 2.288 137 HE1 TYR 22 HE1 TYR 49 -11.505 6.916 6.916 138 HE2 TYR 22 HE2 TYR 49 -11.087 4.110 4.110 139 HH TYR 22 HH TYR 49 -11.956 6.062 6.062 140 H THR 23 H THR 50 -8.027 0.547 0.547 141 HA THR 23 HA THR 50 -9.062 -0.683 -0.683 142 HB THR 23 HB THR 50 -7.325 -2.447 -2.447 143 HG1 THR 23 HG1 THR 50 -6.263 -2.403 -2.403 144 1HG2 THR 23 1HG2 THR 50 -9.219 -1.835 -1.835 145 2HG2 THR 23 2HG2 THR 50 -8.444 -3.395 -3.395 146 3HG2 THR 23 3HG2 THR 50 -9.625 -2.741 -2.741 147 H LYS 24 H LYS 51 -6.481 1.312 1.312 148 HA LYS 24 HA LYS 51 -4.560 2.152 2.152 149 1HB LYS 24 1HB LYS 51 -5.477 0.944 0.944 150 2HB LYS 24 2HB LYS 51 -4.073 2.004 2.004 151 1HG LYS 24 1HG LYS 51 -6.774 2.930 2.930 152 2HG LYS 24 2HG LYS 51 -6.370 2.969 2.969 153 1HD LYS 24 1HD LYS 51 -4.321 4.309 4.309 154 2HD LYS 24 2HD LYS 51 -4.945 4.403 4.403 155 1HE LYS 24 1HE LYS 51 -6.533 5.313 5.313 156 2HE LYS 24 2HE LYS 51 -5.463 6.392 6.392 157 1HZ LYS 24 1HZ LYS 51 -7.761 5.011 5.011 158 2HZ LYS 24 2HZ LYS 51 -7.731 6.470 6.470 159 3HZ LYS 24 3HZ LYS 51 -6.861 5.919 5.919 160 H ARG 25 H ARG 52 -4.809 -0.591 -0.591 161 HA ARG 25 HA ARG 52 -2.389 -1.921 -1.921 162 1HB ARG 25 1HB ARG 52 -4.916 -3.145 -3.145 163 2HB ARG 25 2HB ARG 52 -3.406 -4.038 -4.038 164 1HG ARG 25 1HG ARG 52 -3.552 -3.691 -3.691 165 2HG ARG 25 2HG ARG 52 -4.987 -2.672 -2.672 166 1HD ARG 25 1HD ARG 52 -5.652 -4.917 -4.917 167 2HD ARG 25 2HD ARG 52 -6.208 -4.618 -4.618 168 HE ARG 25 HE ARG 52 -3.702 -6.049 -6.049 169 1HH1 ARG 25 1HH1 ARG 52 -6.962 -6.376 -6.376 170 2HH1 ARG 25 2HH1 ARG 52 -6.626 -7.781 -7.781 171 1HH2 ARG 25 1HH2 ARG 52 -3.677 -8.243 -8.243 172 2HH2 ARG 25 2HH2 ARG 52 -4.765 -8.856 -8.856 173 H CYS 26 H CYS 53 -1.001 -2.685 -2.685 174 HA CYS 26 HA CYS 53 -0.757 -1.750 -1.750 175 1HB CYS 26 1HB CYS 53 0.489 -4.212 -4.212 176 2HB CYS 26 2HB CYS 53 1.052 -3.411 -3.411 177 H TYR 27 H TYR 54 -1.403 -2.522 -2.522 178 HA TYR 27 HA TYR 54 -3.193 -4.646 -4.646 179 1HB TYR 27 1HB TYR 54 -1.455 -2.973 -2.973 180 2HB TYR 27 2HB TYR 54 -2.483 -4.278 -4.278 181 HD1 TYR 27 HD1 TYR 54 -5.035 -4.031 -4.031 182 HD2 TYR 27 HD2 TYR 54 -2.285 -0.948 -0.948 183 HE1 TYR 27 HE1 TYR 54 -6.941 -2.414 -2.414 184 HE2 TYR 27 HE2 TYR 54 -4.190 0.674 0.674 185 HH TYR 27 HH TYR 54 -6.266 1.120 1.120 186 1H NH2 28 1H1 TYR 54 -2.588 -6.360 -6.360 187 2H NH2 28 2H1 TYR 54 -1.194 -7.203 -7.203 Start of MODEL 3 1 1H CYS 1 1H CYS 55 10.846 -2.302 -2.302 2 2H CYS 1 2H CYS 55 10.709 -0.887 -0.887 3 3H CYS 1 3H CYS 55 10.584 -1.221 -1.221 4 HA CYS 1 HA CYS 55 8.380 -0.762 -0.762 5 1HB CYS 1 1HB CYS 55 7.431 -1.844 -1.844 6 2HB CYS 1 2HB CYS 55 9.030 -1.275 -1.275 7 H LYS 2 H LYS 56 6.848 -1.417 -1.417 8 HA LYS 2 HA LYS 56 6.832 -3.641 -3.641 9 1HB LYS 2 1HB LYS 56 4.733 -1.576 -1.576 10 2HB LYS 2 2HB LYS 56 4.556 -2.767 -2.767 11 1HG LYS 2 1HG LYS 56 6.919 -0.904 -0.904 12 2HG LYS 2 2HG LYS 56 5.380 -0.396 -0.396 13 1HD LYS 2 1HD LYS 56 6.798 -2.914 -2.914 14 2HD LYS 2 2HD LYS 56 7.175 -1.331 -1.331 15 1HE LYS 2 1HE LYS 56 4.489 -2.752 -2.752 16 2HE LYS 2 2HE LYS 56 5.569 -2.466 -2.466 17 1HZ LYS 2 1HZ LYS 56 4.258 -0.347 -0.347 18 2HZ LYS 2 2HZ LYS 56 3.850 -0.769 -0.769 19 3HZ LYS 2 3HZ LYS 56 5.168 -0.106 -0.106 20 H SER 3 H SER 57 6.598 -5.506 -5.506 21 HA SER 3 HA SER 57 5.589 -6.773 -6.773 22 1HB SER 3 1HB SER 57 6.755 -7.905 -7.905 23 2HB SER 3 2HB SER 57 5.235 -7.813 -7.813 24 HG SER 3 HG SER 57 5.482 -9.912 -9.912 25 HA HYP 4 HA HYP 58 1.322 -5.886 -5.886 26 1HB HYP 4 1HB HYP 58 1.365 -8.741 -8.741 27 2HB HYP 4 2HB HYP 58 0.449 -7.354 -7.354 28 HG HYP 4 HG HYP 58 2.749 -7.863 -7.863 29 HD1 HYP 4 HD1 HYP 58 3.431 -5.560 -5.560 30 1HD2 HYP 4 1HD2 HYP 58 4.552 -6.698 -6.698 31 2HD2 HYP 4 2HD2 HYP 58 4.093 -8.387 -8.387 32 H GLY 5 H GLY 59 -0.466 -6.064 -6.064 33 1HA GLY 5 1HA GLY 59 -2.044 -6.983 -6.983 34 2HA GLY 5 2HA GLY 59 -0.791 -8.113 -8.113 35 H SER 6 H SER 60 1.228 -6.060 -6.060 36 HA SER 6 HA SER 60 0.805 -5.066 -5.066 37 1HB SER 6 1HB SER 60 2.874 -3.823 -3.823 38 2HB SER 6 2HB SER 60 3.077 -5.450 -5.450 39 HG SER 6 HG SER 60 3.989 -3.784 -3.784 40 H SER 7 H SER 61 1.139 -2.752 -2.752 41 HA SER 7 HA SER 61 -1.163 -1.325 -1.325 42 1HB SER 7 1HB SER 61 -1.108 -1.789 -1.789 43 2HB SER 7 2HB SER 61 0.397 -0.864 -0.864 44 HG SER 7 HG SER 61 -1.497 0.431 0.431 45 H CYS 8 H CYS 62 -1.253 0.730 0.730 46 HA CYS 8 HA CYS 62 1.075 2.344 2.344 47 1HB CYS 8 1HB CYS 62 0.538 2.542 2.542 48 2HB CYS 8 2HB CYS 62 1.064 0.924 0.924 49 H SER 9 H SER 63 0.724 4.320 4.320 50 HA SER 9 HA SER 63 -1.616 5.783 5.783 51 1HB SER 9 1HB SER 63 0.729 6.449 6.449 52 2HB SER 9 2HB SER 63 1.062 6.812 6.812 53 HG SER 9 HG SER 63 0.421 8.760 8.760 54 HA HYP 10 HA HYP 64 -3.166 6.814 6.814 55 1HB HYP 10 1HB HYP 64 -3.644 9.456 9.456 56 2HB HYP 10 2HB HYP 64 -4.721 8.566 8.566 57 HG HYP 10 HG HYP 64 -5.127 8.404 8.404 58 HD1 HYP 10 HD1 HYP 64 -5.777 6.093 6.093 59 1HD2 HYP 10 1HD2 HYP 64 -3.619 6.200 6.200 60 2HD2 HYP 10 2HD2 HYP 64 -2.990 7.836 7.836 61 H THR 11 H THR 65 -1.074 9.058 9.058 62 HA THR 11 HA THR 65 -0.065 10.382 10.382 63 HB THR 11 HB THR 65 1.490 11.476 11.476 64 HG1 THR 11 HG1 THR 65 1.040 11.149 11.149 65 1HG2 THR 11 1HG2 THR 65 -1.443 11.624 11.624 66 2HG2 THR 11 2HG2 THR 65 -0.207 12.810 12.810 67 3HG2 THR 11 3HG2 THR 65 -0.594 12.541 12.541 68 H SER 12 H SER 66 0.864 7.588 7.588 69 HA SER 12 HA SER 66 3.429 7.505 7.505 70 1HB SER 12 1HB SER 66 2.982 6.605 6.605 71 2HB SER 12 2HB SER 66 4.490 6.457 6.457 72 HG SER 12 HG SER 66 4.528 8.331 8.331 73 H TYR 13 H TYR 67 2.582 6.222 6.222 74 HA TYR 13 HA TYR 67 1.421 3.642 3.642 75 1HB TYR 13 1HB TYR 67 2.928 4.874 4.874 76 2HB TYR 13 2HB TYR 67 1.972 3.383 3.383 77 HD1 TYR 13 HD1 TYR 67 1.779 7.113 7.113 78 HD2 TYR 13 HD2 TYR 67 -0.383 3.416 3.416 79 HE1 TYR 13 HE1 TYR 67 -0.377 8.381 8.381 80 HE2 TYR 13 HE2 TYR 67 -2.533 4.688 4.688 81 HH TYR 13 HH TYR 67 -3.558 6.493 6.493 82 H ASN 14 H ASN 68 3.041 3.271 3.271 83 HA ASN 14 HA ASN 68 5.830 2.933 2.933 84 1HB ASN 14 1HB ASN 68 5.925 2.284 2.284 85 2HB ASN 14 2HB ASN 68 5.302 3.902 3.902 86 1HD2 ASN 14 1HD2 ASN 68 4.160 0.617 0.617 87 2HD2 ASN 14 2HD2 ASN 68 2.846 1.116 1.116 88 H CYS 15 H CYS 69 4.474 1.136 1.136 89 HA CYS 15 HA CYS 69 4.580 -1.526 -1.526 90 1HB CYS 15 1HB CYS 69 2.552 -0.442 -0.442 91 2HB CYS 15 2HB CYS 69 2.528 -2.040 -2.040 92 H CYS 16 H CYS 70 4.949 -3.234 -3.234 93 HA CYS 16 HA CYS 70 6.543 -2.985 -2.985 94 1HB CYS 16 1HB CYS 70 5.227 -5.445 -5.445 95 2HB CYS 16 2HB CYS 70 6.505 -5.437 -5.437 96 H ARG 17 H ARG 71 3.236 -4.293 -4.293 97 HA ARG 17 HA ARG 71 2.706 -2.737 -2.737 98 1HB ARG 17 1HB ARG 71 1.287 -5.157 -5.157 99 2HB ARG 17 2HB ARG 71 0.608 -3.953 -3.953 100 1HG ARG 17 1HG ARG 71 3.304 -5.223 -5.223 101 2HG ARG 17 2HG ARG 71 1.801 -5.953 -5.953 102 1HD ARG 17 1HD ARG 71 2.721 -4.787 -4.787 103 2HD ARG 17 2HD ARG 71 1.391 -3.775 -3.775 104 HE ARG 17 HE ARG 71 4.187 -3.244 -3.244 105 1HH1 ARG 17 1HH1 ARG 71 1.146 -1.779 -1.779 106 2HH1 ARG 17 2HH1 ARG 71 1.817 -0.277 -0.277 107 1HH2 ARG 17 1HH2 ARG 71 4.772 -1.171 -1.171 108 2HH2 ARG 17 2HH2 ARG 71 3.858 0.067 0.067 109 H SER 18 H SER 72 1.842 -1.059 -1.059 110 HA SER 18 HA SER 72 1.343 0.823 0.823 111 1HB SER 18 1HB SER 72 0.577 0.733 0.733 112 2HB SER 18 2HB SER 72 -0.897 -0.102 -0.102 113 HG SER 18 HG SER 72 -1.260 2.224 2.224 114 H CYS 19 H CYS 73 0.123 1.770 1.770 115 HA CYS 19 HA CYS 73 -1.443 0.344 0.344 116 1HB CYS 19 1HB CYS 73 -0.233 2.615 2.615 117 2HB CYS 19 2HB CYS 73 -1.664 3.322 3.322 118 H ASN 20 H ASN 74 -3.646 -0.136 -0.136 119 HA ASN 20 HA ASN 74 -5.390 1.492 1.492 120 1HB ASN 20 1HB ASN 74 -5.895 -0.945 -0.945 121 2HB ASN 20 2HB ASN 74 -6.198 -0.771 -0.771 122 1HD2 ASN 20 1HD2 ASN 74 -8.395 -1.050 -1.050 123 2HD2 ASN 20 2HD2 ASN 74 -9.519 -0.140 -0.140 124 HA HYP 21 HA HYP 75 -5.277 4.371 4.371 125 1HB HYP 21 1HB HYP 75 -7.494 5.503 5.503 126 2HB HYP 21 2HB HYP 75 -6.230 6.387 6.387 127 HG HYP 21 HG HYP 75 -5.743 6.021 6.021 128 HD1 HYP 21 HD1 HYP 75 -3.492 5.337 5.337 129 1HD2 HYP 21 1HD2 HYP 75 -4.812 3.430 3.430 130 2HD2 HYP 21 2HD2 HYP 75 -6.568 3.646 3.646 131 H TYR 22 H TYR 76 -8.224 3.188 3.188 132 HA TYR 22 HA TYR 76 -10.176 3.774 3.774 133 1HB TYR 22 1HB TYR 76 -10.192 2.678 2.678 134 2HB TYR 22 2HB TYR 76 -9.935 1.142 1.142 135 HD1 TYR 22 HD2 TYR 76 -12.090 4.152 4.152 136 HD2 TYR 22 HD1 TYR 76 -11.830 -0.071 -0.071 137 HE1 TYR 22 HE2 TYR 76 -14.550 4.120 4.120 138 HE2 TYR 22 HE1 TYR 76 -14.296 -0.108 -0.108 139 HH TYR 22 HH TYR 76 -16.275 3.011 3.011 140 H THR 23 H THR 77 -8.071 0.962 0.962 141 HA THR 23 HA THR 77 -9.234 0.015 0.015 142 HB THR 23 HB THR 77 -8.367 -2.208 -2.208 143 HG1 THR 23 HG1 THR 77 -7.823 -2.712 -2.712 144 1HG2 THR 23 1HG2 THR 77 -10.298 -0.997 -0.997 145 2HG2 THR 23 2HG2 THR 77 -10.130 -2.722 -2.722 146 3HG2 THR 23 3HG2 THR 77 -10.732 -1.609 -1.609 147 H LYS 24 H LYS 78 -6.554 1.574 1.574 148 HA LYS 24 HA LYS 78 -4.459 2.042 2.042 149 1HB LYS 24 1HB LYS 78 -5.446 0.844 0.844 150 2HB LYS 24 2HB LYS 78 -4.016 1.869 1.869 151 1HG LYS 24 1HG LYS 78 -6.692 2.877 2.877 152 2HG LYS 24 2HG LYS 78 -6.285 2.881 2.881 153 1HD LYS 24 1HD LYS 78 -4.358 4.299 4.299 154 2HD LYS 24 2HD LYS 78 -4.620 4.206 4.206 155 1HE LYS 24 1HE LYS 78 -6.724 5.303 5.303 156 2HE LYS 24 2HE LYS 78 -5.462 6.327 6.327 157 1HZ LYS 24 1HZ LYS 78 -7.355 4.750 4.750 158 2HZ LYS 24 2HZ LYS 78 -7.429 6.233 6.233 159 3HZ LYS 24 3HZ LYS 78 -6.294 5.613 5.613 160 H ARG 25 H ARG 79 -4.995 -0.742 -0.742 161 HA ARG 25 HA ARG 79 -2.589 -2.088 -2.088 162 1HB ARG 25 1HB ARG 79 -5.010 -3.314 -3.314 163 2HB ARG 25 2HB ARG 79 -3.480 -4.170 -4.170 164 1HG ARG 25 1HG ARG 79 -3.739 -3.984 -3.984 165 2HG ARG 25 2HG ARG 79 -5.196 -2.995 -2.995 166 1HD ARG 25 1HD ARG 79 -4.950 -5.812 -5.812 167 2HD ARG 25 2HD ARG 79 -5.589 -5.461 -5.461 168 HE ARG 25 HE ARG 79 -7.347 -4.214 -4.214 169 1HH1 ARG 25 1HH2 ARG 79 -5.713 -6.449 -6.449 170 2HH1 ARG 25 2HH2 ARG 79 -6.959 -6.536 -6.536 171 1HH2 ARG 25 1HH1 ARG 79 -8.974 -4.304 -4.304 172 2HH2 ARG 25 2HH1 ARG 79 -8.815 -5.313 -5.313 173 H CYS 26 H CYS 80 -1.121 -2.713 -2.713 174 HA CYS 26 HA CYS 80 -0.745 -1.764 -1.764 175 1HB CYS 26 1HB CYS 80 0.567 -4.044 -4.044 176 2HB CYS 26 2HB CYS 80 1.193 -3.289 -3.289 177 H TYR 27 H TYR 81 -1.420 -2.668 -2.668 178 HA TYR 27 HA TYR 81 -3.107 -4.899 -4.899 179 1HB TYR 27 1HB TYR 81 -1.573 -3.207 -3.207 180 2HB TYR 27 2HB TYR 81 -2.595 -4.565 -4.565 181 HD1 TYR 27 HD2 TYR 81 -5.024 -4.394 -4.394 182 HD2 TYR 27 HD1 TYR 81 -2.520 -1.221 -1.221 183 HE1 TYR 27 HE2 TYR 81 -7.074 -3.034 -3.034 184 HE2 TYR 27 HE1 TYR 81 -4.570 0.136 0.136 185 HH TYR 27 HH TYR 81 -7.920 -1.304 -1.304 186 1H NH2 28 1H1 TYR 81 -2.734 -6.828 -6.828 187 2H NH2 28 2H1 TYR 81 -1.257 -7.548 -7.548 Start of MODEL 4 1 1H CYS 1 1H CYS 82 11.039 -1.664 -1.664 2 2H CYS 1 2H CYS 82 10.897 -2.399 -2.399 3 3H CYS 1 3H CYS 82 10.756 -3.128 -3.128 4 HA CYS 1 HA CYS 82 8.872 -1.106 -1.106 5 1HB CYS 1 1HB CYS 82 7.446 -1.743 -1.743 6 2HB CYS 1 2HB CYS 82 9.005 -1.093 -1.093 7 H LYS 2 H LYS 83 6.951 -1.482 -1.482 8 HA LYS 2 HA LYS 83 6.535 -3.552 -3.552 9 1HB LYS 2 1HB LYS 83 4.826 -1.365 -1.365 10 2HB LYS 2 2HB LYS 83 4.131 -2.637 -2.637 11 1HG LYS 2 1HG LYS 83 5.811 -2.149 -2.149 12 2HG LYS 2 2HG LYS 83 6.493 -0.870 -0.870 13 1HD LYS 2 1HD LYS 83 4.449 0.405 0.405 14 2HD LYS 2 2HD LYS 83 3.601 -0.929 -0.929 15 1HE LYS 2 1HE LYS 83 4.911 -0.698 -0.698 16 2HE LYS 2 2HE LYS 83 6.084 0.355 0.355 17 1HZ LYS 2 1HZ LYS 83 3.305 1.103 1.103 18 2HZ LYS 2 2HZ LYS 83 4.468 1.647 1.647 19 3HZ LYS 2 3HZ LYS 83 4.291 1.989 1.989 20 H SER 3 H SER 84 6.215 -5.456 -5.456 21 HA SER 3 HA SER 84 5.246 -6.959 -6.959 22 1HB SER 3 1HB SER 84 4.526 -8.564 -8.564 23 2HB SER 3 2HB SER 84 6.225 -8.062 -8.062 24 HG SER 3 HG SER 84 5.298 -7.970 -7.970 25 HA HYP 4 HA HYP 85 0.991 -5.731 -5.731 26 1HB HYP 4 1HB HYP 85 0.917 -8.602 -8.602 27 2HB HYP 4 2HB HYP 85 0.206 -7.160 -7.160 28 HG HYP 4 HG HYP 85 2.422 -7.998 -7.998 29 HD1 HYP 4 HD1 HYP 85 3.403 -5.859 -5.859 30 1HD2 HYP 4 1HD2 HYP 85 4.301 -6.845 -6.845 31 2HD2 HYP 4 2HD2 HYP 85 3.692 -8.462 -8.462 32 H GLY 5 H GLY 86 -0.587 -5.694 -5.694 33 1HA GLY 5 1HA GLY 86 -2.117 -6.759 -6.759 34 2HA GLY 5 2HA GLY 86 -0.690 -7.631 -7.631 35 H SER 6 H SER 87 1.167 -5.763 -5.763 36 HA SER 6 HA SER 87 0.872 -4.706 -4.706 37 1HB SER 6 1HB SER 87 2.767 -3.694 -3.694 38 2HB SER 6 2HB SER 87 2.995 -3.621 -3.621 39 HG SER 6 HG SER 87 4.248 -5.396 -5.396 40 H SER 7 H SER 88 0.029 -3.022 -3.022 41 HA SER 7 HA SER 88 -1.481 -1.064 -1.064 42 1HB SER 7 1HB SER 88 -0.299 -0.955 -0.955 43 2HB SER 7 2HB SER 88 -1.596 0.072 0.072 44 HG SER 7 HG SER 88 -2.463 -1.807 -1.807 45 H CYS 8 H CYS 89 -1.228 0.770 0.770 46 HA CYS 8 HA CYS 89 1.142 2.447 2.447 47 1HB CYS 8 1HB CYS 89 0.903 2.562 2.562 48 2HB CYS 8 2HB CYS 89 1.411 0.968 0.968 49 H SER 9 H SER 90 0.571 4.597 4.597 50 HA SER 9 HA SER 90 -2.192 5.378 5.378 51 1HB SER 9 1HB SER 90 -0.599 6.699 6.699 52 2HB SER 9 2HB SER 90 0.399 6.912 6.912 53 HG SER 9 HG SER 90 -0.849 8.867 8.867 54 HA HYP 10 HA HYP 91 -3.303 6.490 6.490 55 1HB HYP 10 1HB HYP 91 -3.980 9.058 9.058 56 2HB HYP 10 2HB HYP 91 -4.869 8.323 8.323 57 HG HYP 10 HG HYP 91 -5.666 7.914 7.914 58 HD1 HYP 10 HD1 HYP 91 -6.520 5.787 5.787 59 1HD2 HYP 10 1HD2 HYP 91 -4.347 5.450 5.450 60 2HD2 HYP 10 2HD2 HYP 91 -3.866 6.933 6.933 61 H THR 11 H THR 92 -1.496 8.637 8.637 62 HA THR 11 HA THR 92 -0.160 10.023 10.023 63 HB THR 11 HB THR 92 0.790 11.451 11.451 64 HG1 THR 11 HG1 THR 92 0.069 11.244 11.244 65 1HG2 THR 11 1HG2 THR 92 -2.214 11.142 11.142 66 2HG2 THR 11 2HG2 THR 92 -1.266 12.555 12.555 67 3HG2 THR 11 3HG2 THR 92 -1.374 12.116 12.116 68 H SER 12 H SER 93 0.429 7.203 7.203 69 HA SER 12 HA SER 93 3.311 7.200 7.200 70 1HB SER 12 1HB SER 93 1.707 5.462 5.462 71 2HB SER 12 2HB SER 93 3.467 5.648 5.648 72 HG SER 12 HG SER 93 2.536 6.851 6.851 73 H TYR 13 H TYR 94 3.271 6.468 6.468 74 HA TYR 13 HA TYR 94 2.105 3.858 3.858 75 1HB TYR 13 1HB TYR 94 3.386 6.036 6.036 76 2HB TYR 13 2HB TYR 94 2.972 4.438 4.438 77 HD1 TYR 13 HD2 TYR 94 0.519 3.612 3.612 78 HD2 TYR 13 HD1 TYR 94 1.774 7.759 7.759 79 HE1 TYR 13 HE2 TYR 94 -1.881 4.348 4.348 80 HE2 TYR 13 HE1 TYR 94 -0.622 8.483 8.483 81 HH TYR 13 HH TYR 94 -3.316 5.991 5.991 82 H ASN 14 H ASN 95 4.010 3.702 3.702 83 HA ASN 14 HA ASN 95 6.518 2.827 2.827 84 1HB ASN 14 1HB ASN 95 7.242 2.658 2.658 85 2HB ASN 14 2HB ASN 95 6.538 4.239 4.239 86 1HD2 ASN 14 1HD2 ASN 95 6.756 2.091 2.091 87 2HD2 ASN 14 2HD2 ASN 95 5.328 2.292 2.292 88 H CYS 15 H CYS 96 4.464 1.192 1.192 89 HA CYS 15 HA CYS 96 4.735 -1.374 -1.374 90 1HB CYS 15 1HB CYS 96 2.549 -0.407 -0.407 91 2HB CYS 15 2HB CYS 96 2.609 -1.978 -1.978 92 H CYS 16 H CYS 97 4.941 -3.237 -3.237 93 HA CYS 16 HA CYS 97 6.429 -3.013 -3.013 94 1HB CYS 16 1HB CYS 97 5.220 -5.440 -5.440 95 2HB CYS 16 2HB CYS 97 6.413 -5.381 -5.381 96 H ARG 17 H ARG 98 3.037 -4.141 -4.141 97 HA ARG 17 HA ARG 98 2.416 -2.713 -2.713 98 1HB ARG 17 1HB ARG 98 0.801 -4.862 -4.862 99 2HB ARG 17 2HB ARG 98 0.215 -3.877 -3.877 100 1HG ARG 17 1HG ARG 98 1.740 -4.893 -4.893 101 2HG ARG 17 2HG ARG 98 2.608 -5.698 -5.698 102 1HD ARG 17 1HD ARG 98 1.039 -7.210 -7.210 103 2HD ARG 17 2HD ARG 98 0.703 -7.108 -7.108 104 HE ARG 17 HE ARG 98 -0.827 -5.256 -5.256 105 1HH1 ARG 17 1HH2 ARG 98 -1.017 -8.349 -8.349 106 2HH1 ARG 17 2HH2 ARG 98 -2.593 -8.586 -8.586 107 1HH2 ARG 17 1HH1 ARG 98 -3.025 -5.492 -5.492 108 2HH2 ARG 17 2HH1 ARG 98 -3.755 -6.928 -6.928 109 H SER 18 H SER 99 2.073 -0.824 -0.824 110 HA SER 18 HA SER 99 1.581 0.930 0.930 111 1HB SER 18 1HB SER 99 -0.515 0.414 0.414 112 2HB SER 18 2HB SER 99 -0.341 1.935 1.935 113 HG SER 18 HG SER 99 0.808 2.000 2.000 114 H CYS 19 H CYS 100 0.289 1.983 1.983 115 HA CYS 19 HA CYS 100 -1.145 0.445 0.445 116 1HB CYS 19 1HB CYS 100 -0.051 2.788 2.788 117 2HB CYS 19 2HB CYS 100 -1.578 3.410 3.410 118 H ASN 20 H ASN 101 -3.158 -0.343 -0.343 119 HA ASN 20 HA ASN 101 -5.095 0.566 0.566 120 1HB ASN 20 1HB ASN 101 -4.980 -1.842 -1.842 121 2HB ASN 20 2HB ASN 101 -5.545 -1.368 -1.368 122 1HD2 ASN 20 1HD2 ASN 101 -7.527 -2.490 -2.490 123 2HD2 ASN 20 2HD2 ASN 101 -8.746 -2.036 -2.036 124 HA HYP 21 HA HYP 102 -5.204 3.912 3.912 125 1HB HYP 21 1HB HYP 102 -7.233 5.121 5.121 126 2HB HYP 21 2HB HYP 102 -5.664 5.765 5.765 127 HG HYP 21 HG HYP 102 -5.982 4.847 4.847 128 HD1 HYP 21 HD1 HYP 102 -3.722 4.194 4.194 129 1HD2 HYP 21 1HD2 HYP 102 -5.181 2.305 2.305 130 2HD2 HYP 21 2HD2 HYP 102 -6.894 2.696 2.696 131 H TYR 22 H TYR 103 -8.186 2.557 2.557 132 HA TYR 22 HA TYR 103 -10.047 3.466 3.466 133 1HB TYR 22 1HB TYR 103 -10.582 2.272 2.272 134 2HB TYR 22 2HB TYR 103 -9.876 0.791 0.791 135 HD1 TYR 22 HD2 TYR 103 -12.565 3.350 3.350 136 HD2 TYR 22 HD1 TYR 103 -11.229 -0.776 -0.776 137 HE1 TYR 22 HE2 TYR 103 -14.709 2.728 2.728 138 HE2 TYR 22 HE1 TYR 103 -13.366 -1.391 -1.391 139 HH TYR 22 HH TYR 103 -15.964 1.158 1.158 140 H THR 23 H THR 104 -8.039 0.581 0.581 141 HA THR 23 HA THR 104 -9.030 0.042 0.042 142 HB THR 23 HB THR 104 -7.946 -2.180 -2.180 143 HG1 THR 23 HG1 THR 104 -7.060 -2.785 -2.785 144 1HG2 THR 23 1HG2 THR 104 -9.751 -1.486 -1.486 145 2HG2 THR 23 2HG2 THR 104 -9.396 -3.117 -3.117 146 3HG2 THR 23 3HG2 THR 104 -10.289 -1.978 -1.978 147 H LYS 24 H LYS 105 -6.471 1.605 1.605 148 HA LYS 24 HA LYS 105 -4.355 2.227 2.227 149 1HB LYS 24 1HB LYS 105 -5.414 1.644 1.644 150 2HB LYS 24 2HB LYS 105 -3.924 2.526 2.526 151 1HG LYS 24 1HG LYS 105 -5.317 4.102 4.102 152 2HG LYS 24 2HG LYS 105 -6.759 3.288 3.288 153 1HD LYS 24 1HD LYS 105 -6.026 3.893 3.893 154 2HD LYS 24 2HD LYS 105 -4.685 4.811 4.811 155 1HE LYS 24 1HE LYS 105 -6.472 6.374 6.374 156 2HE LYS 24 2HE LYS 105 -6.396 6.152 6.152 157 1HZ LYS 24 1HZ LYS 105 -8.329 4.812 4.812 158 2HZ LYS 24 2HZ LYS 105 -8.667 5.945 5.945 159 3HZ LYS 24 3HZ LYS 105 -8.264 4.626 4.626 160 H ARG 25 H ARG 106 -4.523 -0.379 -0.379 161 HA ARG 25 HA ARG 106 -2.396 -1.850 -1.850 162 1HB ARG 25 1HB ARG 106 -5.048 -2.919 -2.919 163 2HB ARG 25 2HB ARG 106 -3.618 -3.957 -3.957 164 1HG ARG 25 1HG ARG 106 -3.443 -3.352 -3.352 165 2HG ARG 25 2HG ARG 106 -4.938 -2.412 -2.412 166 1HD ARG 25 1HD ARG 106 -5.340 -4.676 -4.676 167 2HD ARG 25 2HD ARG 106 -6.183 -4.427 -4.427 168 HE ARG 25 HE ARG 106 -3.608 -5.803 -5.803 169 1HH1 ARG 25 1HH2 ARG 106 -6.974 -5.973 -5.973 170 2HH1 ARG 25 2HH2 ARG 106 -6.844 -7.437 -7.437 171 1HH2 ARG 25 1HH1 ARG 106 -3.500 -7.817 -7.817 172 2HH2 ARG 25 2HH1 ARG 106 -4.856 -8.492 -8.492 173 H CYS 26 H CYS 107 -0.902 -2.635 -2.635 174 HA CYS 26 HA CYS 107 -0.662 -1.687 -1.687 175 1HB CYS 26 1HB CYS 107 0.754 -3.972 -3.972 176 2HB CYS 26 2HB CYS 107 1.241 -3.228 -3.228 177 H TYR 27 H TYR 108 -1.384 -2.439 -2.439 178 HA TYR 27 HA TYR 108 -3.297 -4.435 -4.435 179 1HB TYR 27 1HB TYR 108 -1.545 -2.798 -2.798 180 2HB TYR 27 2HB TYR 108 -2.471 -4.147 -4.147 181 HD1 TYR 27 HD1 TYR 108 -5.135 -4.060 -4.060 182 HD2 TYR 27 HD2 TYR 108 -2.376 -0.746 -0.746 183 HE1 TYR 27 HE1 TYR 108 -6.973 -2.659 -2.659 184 HE2 TYR 27 HE2 TYR 108 -4.210 0.649 0.649 185 HH TYR 27 HH TYR 108 -6.331 0.897 0.897 186 1H NH2 28 1H1 TYR 108 -3.108 -6.532 -6.532 187 2H NH2 28 2H1 TYR 108 -1.691 -7.358 -7.358 Start of MODEL 5 1 1H CYS 1 1H CYS 109 10.967 -1.221 -1.221 2 2H CYS 1 2H CYS 109 10.886 -1.651 -1.651 3 3H CYS 1 3H CYS 109 10.970 -2.672 -2.672 4 HA CYS 1 HA CYS 109 8.671 -0.906 -0.906 5 1HB CYS 1 1HB CYS 109 7.563 -2.040 -2.040 6 2HB CYS 1 2HB CYS 109 9.153 -1.539 -1.539 7 H LYS 2 H LYS 110 6.824 -1.588 -1.588 8 HA LYS 2 HA LYS 110 6.909 -3.756 -3.756 9 1HB LYS 2 1HB LYS 110 4.766 -1.772 -1.772 10 2HB LYS 2 2HB LYS 110 4.542 -3.073 -3.073 11 1HG LYS 2 1HG LYS 110 6.203 -2.145 -2.145 12 2HG LYS 2 2HG LYS 110 6.738 -0.995 -0.995 13 1HD LYS 2 1HD LYS 110 4.577 0.110 0.110 14 2HD LYS 2 2HD LYS 110 3.943 -1.097 -1.097 15 1HE LYS 2 1HE LYS 110 5.419 -0.303 -0.303 16 2HE LYS 2 2HE LYS 110 6.229 0.802 0.802 17 1HZ LYS 2 1HZ LYS 110 3.397 0.983 0.983 18 2HZ LYS 2 2HZ LYS 110 4.440 1.925 1.925 19 3HZ LYS 2 3HZ LYS 110 4.079 1.912 1.912 20 H SER 3 H SER 111 6.663 -5.680 -5.680 21 HA SER 3 HA SER 111 5.488 -6.966 -6.966 22 1HB SER 3 1HB SER 111 5.363 -7.949 -7.949 23 2HB SER 3 2HB SER 111 5.466 -8.924 -8.924 24 HG SER 3 HG SER 111 7.590 -8.740 -8.740 25 HA HYP 4 HA HYP 112 1.176 -5.876 -5.876 26 1HB HYP 4 1HB HYP 112 1.131 -8.639 -8.639 27 2HB HYP 4 2HB HYP 112 0.224 -7.190 -7.190 28 HG HYP 4 HG HYP 112 2.359 -7.637 -7.637 29 HD1 HYP 4 HD1 HYP 112 3.119 -5.394 -5.394 30 1HD2 HYP 4 1HD2 HYP 112 4.345 -6.622 -6.622 31 2HD2 HYP 4 2HD2 HYP 112 3.885 -8.322 -8.322 32 H GLY 5 H GLY 113 -0.606 -6.143 -6.143 33 1HA GLY 5 1HA GLY 113 -2.050 -7.193 -7.193 34 2HA GLY 5 2HA GLY 113 -0.599 -7.964 -7.964 35 H SER 6 H SER 114 1.052 -5.718 -5.718 36 HA SER 6 HA SER 114 0.823 -4.804 -4.804 37 1HB SER 6 1HB SER 114 2.445 -3.669 -3.669 38 2HB SER 6 2HB SER 114 2.645 -3.209 -3.209 39 HG SER 6 HG SER 114 4.195 -4.892 -4.892 40 H SER 7 H SER 115 0.518 -2.811 -2.811 41 HA SER 7 HA SER 115 -1.483 -1.050 -1.050 42 1HB SER 7 1HB SER 115 -1.139 0.177 0.177 43 2HB SER 7 2HB SER 115 -1.509 -1.544 -1.544 44 HG SER 7 HG SER 115 0.293 -0.852 -0.852 45 H CYS 8 H CYS 116 -1.257 0.699 0.699 46 HA CYS 8 HA CYS 116 1.098 2.440 2.440 47 1HB CYS 8 1HB CYS 116 0.714 2.793 2.793 48 2HB CYS 8 2HB CYS 116 1.212 1.140 1.140 49 H SER 9 H SER 117 0.670 4.628 4.628 50 HA SER 9 HA SER 117 -1.950 5.659 5.659 51 1HB SER 9 1HB SER 117 -0.066 6.943 6.943 52 2HB SER 9 2HB SER 117 0.657 6.996 6.996 53 HG SER 9 HG SER 117 -0.406 9.054 9.054 54 HA HYP 10 HA HYP 118 -3.746 6.324 6.324 55 1HB HYP 10 1HB HYP 118 -3.792 9.078 9.078 56 2HB HYP 10 2HB HYP 118 -4.995 8.396 8.396 57 HG HYP 10 HG HYP 118 -5.351 8.194 8.194 58 HD1 HYP 10 HD1 HYP 118 -6.528 6.155 6.155 59 1HD2 HYP 10 1HD2 HYP 118 -4.243 5.610 5.610 60 2HD2 HYP 10 2HD2 HYP 118 -3.513 7.069 7.069 61 H THR 11 H THR 119 -1.388 8.732 8.732 62 HA THR 11 HA THR 119 -0.695 9.448 9.448 63 HB THR 11 HB THR 119 -1.158 11.221 11.221 64 HG1 THR 11 HG1 THR 119 0.619 12.574 12.574 65 1HG2 THR 11 1HG2 THR 119 1.460 10.529 10.529 66 2HG2 THR 11 2HG2 THR 119 0.533 12.018 12.018 67 3HG2 THR 11 3HG2 THR 119 -0.144 10.461 10.461 68 H SER 12 H SER 120 0.425 7.167 7.167 69 HA SER 12 HA SER 120 3.216 7.261 7.261 70 1HB SER 12 1HB SER 120 3.941 6.053 6.053 71 2HB SER 12 2HB SER 120 2.984 7.436 7.436 72 HG SER 12 HG SER 120 2.515 5.475 5.475 73 H TYR 13 H TYR 121 2.638 6.342 6.342 74 HA TYR 13 HA TYR 121 1.769 3.615 3.615 75 1HB TYR 13 1HB TYR 121 3.035 5.723 5.723 76 2HB TYR 13 2HB TYR 121 2.691 4.081 4.081 77 HD1 TYR 13 HD2 TYR 121 0.429 3.260 3.260 78 HD2 TYR 13 HD1 TYR 121 1.215 7.328 7.328 79 HE1 TYR 13 HE2 TYR 121 -2.006 3.786 3.786 80 HE2 TYR 13 HE1 TYR 121 -1.232 7.864 7.864 81 HH TYR 13 HH TYR 121 -3.578 5.272 5.272 82 H ASN 14 H ASN 122 3.462 3.381 3.381 83 HA ASN 14 HA ASN 122 6.163 2.769 2.769 84 1HB ASN 14 1HB ASN 122 6.720 2.826 2.826 85 2HB ASN 14 2HB ASN 122 5.838 4.287 4.287 86 1HD2 ASN 14 1HD2 ASN 122 6.264 2.812 2.812 87 2HD2 ASN 14 2HD2 ASN 122 4.775 2.658 2.658 88 H CYS 15 H CYS 123 4.418 1.047 1.047 89 HA CYS 15 HA CYS 123 4.522 -1.461 -1.461 90 1HB CYS 15 1HB CYS 123 2.439 -0.374 -0.374 91 2HB CYS 15 2HB CYS 123 2.423 -2.014 -2.014 92 H CYS 16 H CYS 124 5.031 -3.274 -3.274 93 HA CYS 16 HA CYS 124 6.602 -3.238 -3.238 94 1HB CYS 16 1HB CYS 124 5.213 -5.561 -5.561 95 2HB CYS 16 2HB CYS 124 6.476 -5.604 -5.604 96 H ARG 17 H ARG 125 3.132 -3.927 -3.927 97 HA ARG 17 HA ARG 125 2.752 -2.743 -2.743 98 1HB ARG 17 1HB ARG 125 1.179 -5.010 -5.010 99 2HB ARG 17 2HB ARG 125 0.635 -4.101 -4.101 100 1HG ARG 17 1HG ARG 125 2.394 -4.927 -4.927 101 2HG ARG 17 2HG ARG 125 3.311 -5.493 -5.493 102 1HD ARG 17 1HD ARG 125 2.272 -7.355 -7.355 103 2HD ARG 17 2HD ARG 125 1.643 -7.223 -7.223 104 HE ARG 17 HE ARG 125 0.118 -5.899 -5.899 105 1HH1 ARG 17 1HH2 ARG 125 0.293 -8.723 -8.723 106 2HH1 ARG 17 2HH2 ARG 125 -1.285 -9.123 -9.123 107 1HH2 ARG 17 1HH1 ARG 125 -1.995 -6.574 -6.574 108 2HH2 ARG 17 2HH1 ARG 125 -2.593 -7.896 -7.896 109 H SER 18 H SER 126 2.503 -0.826 -0.826 110 HA SER 18 HA SER 126 1.522 1.051 1.051 111 1HB SER 18 1HB SER 126 -0.500 1.548 1.548 112 2HB SER 18 2HB SER 126 0.929 1.091 1.091 113 HG SER 18 HG SER 126 -1.039 0.024 0.024 114 H CYS 19 H CYS 127 0.323 2.070 2.070 115 HA CYS 19 HA CYS 127 -1.135 0.614 0.614 116 1HB CYS 19 1HB CYS 127 0.076 2.841 2.841 117 2HB CYS 19 2HB CYS 127 -1.340 3.594 3.594 118 H ASN 20 H ASN 128 -3.219 0.158 0.158 119 HA ASN 20 HA ASN 128 -5.174 1.457 1.457 120 1HB ASN 20 1HB ASN 128 -5.432 -0.994 -0.994 121 2HB ASN 20 2HB ASN 128 -5.669 -0.739 -0.739 122 1HD2 ASN 20 1HD2 ASN 128 -7.607 -1.783 -1.783 123 2HD2 ASN 20 2HD2 ASN 128 -8.933 -0.810 -0.810 124 HA HYP 21 HA HYP 129 -5.071 4.429 4.429 125 1HB HYP 21 1HB HYP 129 -7.199 5.688 5.688 126 2HB HYP 21 2HB HYP 129 -5.742 6.424 6.424 127 HG HYP 21 HG HYP 129 -5.689 5.803 5.803 128 HD1 HYP 21 HD1 HYP 129 -3.438 4.978 4.978 129 1HD2 HYP 21 1HD2 HYP 129 -5.005 3.238 3.238 130 2HD2 HYP 21 2HD2 HYP 129 -6.720 3.620 3.620 131 H TYR 22 H TYR 130 -8.027 3.246 3.246 132 HA TYR 22 HA TYR 130 -9.905 3.919 3.919 133 1HB TYR 22 1HB TYR 130 -9.824 1.631 1.631 134 2HB TYR 22 2HB TYR 130 -11.233 2.012 2.012 135 HD1 TYR 22 HD2 TYR 130 -11.840 4.676 4.676 136 HD2 TYR 22 HD1 TYR 130 -9.872 2.409 2.409 137 HE1 TYR 22 HE2 TYR 130 -12.213 6.566 6.566 138 HE2 TYR 22 HE1 TYR 130 -10.247 4.303 4.303 139 HH TYR 22 HH TYR 130 -11.751 7.453 7.453 140 H THR 23 H THR 131 -8.196 0.896 0.896 141 HA THR 23 HA THR 131 -9.140 -0.296 -0.296 142 HB THR 23 HB THR 131 -8.128 -2.370 -2.370 143 HG1 THR 23 HG1 THR 131 -6.992 -2.475 -2.475 144 1HG2 THR 23 1HG2 THR 131 -9.650 -1.072 -1.072 145 2HG2 THR 23 2HG2 THR 131 -9.350 -2.807 -2.807 146 3HG2 THR 23 3HG2 THR 131 -10.328 -1.933 -1.933 147 H LYS 24 H LYS 132 -6.578 1.618 1.618 148 HA LYS 24 HA LYS 132 -4.626 2.174 2.174 149 1HB LYS 24 1HB LYS 132 -5.735 0.681 0.681 150 2HB LYS 24 2HB LYS 132 -4.461 1.913 1.913 151 1HG LYS 24 1HG LYS 132 -7.316 2.434 2.434 152 2HG LYS 24 2HG LYS 132 -6.702 2.696 2.696 153 1HD LYS 24 1HD LYS 132 -5.050 4.308 4.308 154 2HD LYS 24 2HD LYS 132 -5.860 4.130 4.130 155 1HE LYS 24 1HE LYS 132 -7.488 4.844 4.844 156 2HE LYS 24 2HE LYS 132 -6.503 6.096 6.096 157 1HZ LYS 24 1HZ LYS 132 -8.571 4.558 4.558 158 2HZ LYS 24 2HZ LYS 132 -8.722 5.985 5.985 159 3HZ LYS 24 3HZ LYS 132 -7.743 5.611 5.611 160 H ARG 25 H ARG 133 -4.755 -0.385 -0.385 161 HA ARG 25 HA ARG 133 -2.551 -1.917 -1.917 162 1HB ARG 25 1HB ARG 133 -4.945 -2.941 -2.941 163 2HB ARG 25 2HB ARG 133 -3.501 -3.910 -3.910 164 1HG ARG 25 1HG ARG 133 -3.982 -3.601 -3.601 165 2HG ARG 25 2HG ARG 133 -5.523 -2.861 -2.861 166 1HD ARG 25 1HD ARG 133 -4.599 -5.631 -5.631 167 2HD ARG 25 2HD ARG 133 -5.731 -5.295 -5.295 168 HE ARG 25 HE ARG 133 -7.342 -4.722 -4.722 169 1HH1 ARG 25 1HH1 ARG 133 -4.505 -5.688 -5.688 170 2HH1 ARG 25 2HH1 ARG 133 -5.325 -5.864 -5.864 171 1HH2 ARG 25 1HH2 ARG 133 -8.349 -4.908 -4.908 172 2HH2 ARG 25 2HH2 ARG 133 -7.489 -5.424 -5.424 173 H CYS 26 H CYS 134 -1.026 -2.750 -2.750 174 HA CYS 26 HA CYS 134 -0.534 -1.777 -1.777 175 1HB CYS 26 1HB CYS 134 0.686 -4.111 -4.111 176 2HB CYS 26 2HB CYS 134 1.278 -3.438 -3.438 177 H TYR 27 H TYR 135 -1.246 -2.512 -2.512 178 HA TYR 27 HA TYR 135 -3.278 -4.323 -4.323 179 1HB TYR 27 1HB TYR 135 -1.337 -2.847 -2.847 180 2HB TYR 27 2HB TYR 135 -2.278 -4.159 -4.159 181 HD1 TYR 27 HD2 TYR 135 -4.907 -3.877 -3.877 182 HD2 TYR 27 HD1 TYR 135 -2.188 -0.901 -0.901 183 HE1 TYR 27 HE2 TYR 135 -6.856 -2.453 -2.453 184 HE2 TYR 27 HE1 TYR 135 -4.134 0.535 0.535 185 HH TYR 27 HH TYR 135 -7.572 -0.549 -0.549 186 1H NH2 28 1H1 TYR 135 -3.374 -6.351 -6.351 187 2H NH2 28 2H1 TYR 135 -2.111 -7.404 -7.404 Start of MODEL 6 1 1H CYS 1 1H CYS 136 10.900 -3.328 -3.328 2 2H CYS 1 2H CYS 136 11.106 -2.113 -2.113 3 3H CYS 1 3H CYS 136 11.079 -1.997 -1.997 4 HA CYS 1 HA CYS 136 8.992 -1.136 -1.136 5 1HB CYS 1 1HB CYS 136 7.673 -2.351 -2.351 6 2HB CYS 1 2HB CYS 136 9.322 -2.697 -2.697 7 H LYS 2 H LYS 137 6.953 -1.388 -1.388 8 HA LYS 2 HA LYS 137 6.583 -3.138 -3.138 9 1HB LYS 2 1HB LYS 137 4.830 -1.066 -1.066 10 2HB LYS 2 2HB LYS 137 4.224 -2.136 -2.136 11 1HG LYS 2 1HG LYS 137 5.921 -1.314 -1.314 12 2HG LYS 2 2HG LYS 137 6.618 -0.301 -0.301 13 1HD LYS 2 1HD LYS 137 5.015 1.294 1.294 14 2HD LYS 2 2HD LYS 137 3.725 0.104 0.104 15 1HE LYS 2 1HE LYS 137 5.812 0.630 0.630 16 2HE LYS 2 2HE LYS 137 4.340 1.610 1.610 17 1HZ LYS 2 1HZ LYS 137 4.342 -1.302 -1.302 18 2HZ LYS 2 2HZ LYS 137 3.987 -0.356 -0.356 19 3HZ LYS 2 3HZ LYS 137 3.103 -0.476 -0.476 20 H SER 3 H SER 138 5.803 -5.034 -5.034 21 HA SER 3 HA SER 138 5.139 -6.512 -6.512 22 1HB SER 3 1HB SER 138 4.353 -8.255 -8.255 23 2HB SER 3 2HB SER 138 5.998 -7.671 -7.671 24 HG SER 3 HG SER 138 4.736 -7.853 -7.853 25 HA HYP 4 HA HYP 139 0.969 -5.735 -5.735 26 1HB HYP 4 1HB HYP 139 1.195 -8.661 -8.661 27 2HB HYP 4 2HB HYP 139 0.366 -7.345 -7.345 28 HG HYP 4 HG HYP 139 2.824 -7.996 -7.996 29 HD1 HYP 4 HD1 HYP 139 3.406 -5.718 -5.718 30 1HD2 HYP 4 1HD2 HYP 139 4.330 -6.432 -6.432 31 2HD2 HYP 4 2HD2 HYP 139 3.990 -8.119 -8.119 32 H GLY 5 H GLY 140 -0.605 -5.671 -5.671 33 1HA GLY 5 1HA GLY 140 -2.237 -6.538 -6.538 34 2HA GLY 5 2HA GLY 140 -0.966 -7.606 -7.606 35 H SER 6 H SER 141 0.968 -5.283 -5.283 36 HA SER 6 HA SER 141 0.730 -4.594 -4.594 37 1HB SER 6 1HB SER 141 2.882 -4.709 -4.709 38 2HB SER 6 2HB SER 141 2.433 -3.121 -3.121 39 HG SER 6 HG SER 141 3.874 -2.937 -2.937 40 H SER 7 H SER 142 0.234 -2.922 -2.922 41 HA SER 7 HA SER 142 -1.716 -1.051 -1.051 42 1HB SER 7 1HB SER 142 -1.544 -0.153 -0.153 43 2HB SER 7 2HB SER 142 -1.765 -1.912 -1.912 44 HG SER 7 HG SER 142 -0.047 -1.250 -1.250 45 H CYS 8 H CYS 143 -1.411 0.818 0.818 46 HA CYS 8 HA CYS 143 1.035 2.373 2.373 47 1HB CYS 8 1HB CYS 143 1.074 2.424 2.424 48 2HB CYS 8 2HB CYS 143 1.389 0.812 0.812 49 H SER 9 H SER 144 0.797 4.436 4.436 50 HA SER 9 HA SER 144 -1.797 5.711 5.711 51 1HB SER 9 1HB SER 144 0.110 6.814 6.814 52 2HB SER 9 2HB SER 144 1.005 6.815 6.815 53 HG SER 9 HG SER 144 -0.087 8.912 8.912 54 HA HYP 10 HA HYP 145 -2.436 6.096 6.096 55 1HB HYP 10 1HB HYP 145 -3.324 8.837 8.837 56 2HB HYP 10 2HB HYP 145 -4.087 7.771 7.771 57 HG HYP 10 HG HYP 145 -5.055 7.890 7.890 58 HD1 HYP 10 HD1 HYP 145 -5.688 5.590 5.590 59 1HD2 HYP 10 1HD2 HYP 145 -3.696 5.721 5.721 60 2HD2 HYP 10 2HD2 HYP 145 -3.227 7.393 7.393 61 H THR 11 H THR 146 -1.131 8.793 8.793 62 HA THR 11 HA THR 146 0.182 10.179 10.179 63 HB THR 11 HB THR 146 1.331 11.434 11.434 64 HG1 THR 11 HG1 THR 146 0.936 10.830 10.830 65 1HG2 THR 11 1HG2 THR 146 -1.562 11.085 11.085 66 2HG2 THR 11 2HG2 THR 146 -0.507 12.398 12.398 67 3HG2 THR 11 3HG2 THR 146 -0.830 12.187 12.187 68 H SER 12 H SER 147 1.108 7.374 7.374 69 HA SER 12 HA SER 147 3.877 7.521 7.521 70 1HB SER 12 1HB SER 147 3.310 7.676 7.676 71 2HB SER 12 2HB SER 147 3.328 5.913 5.913 72 HG SER 12 HG SER 147 5.485 6.769 6.769 73 H TYR 13 H TYR 148 3.015 6.533 6.533 74 HA TYR 13 HA TYR 148 1.970 3.895 3.895 75 1HB TYR 13 1HB TYR 148 3.030 5.783 5.783 76 2HB TYR 13 2HB TYR 148 2.485 4.141 4.141 77 HD1 TYR 13 HD2 TYR 148 0.040 3.594 3.594 78 HD2 TYR 13 HD1 TYR 148 1.562 7.454 7.454 79 HE1 TYR 13 HE2 TYR 148 -2.308 4.468 4.468 80 HE2 TYR 13 HE1 TYR 148 -0.790 8.301 8.301 81 HH TYR 13 HH TYR 148 -3.601 6.219 6.219 82 H ASN 14 H ASN 149 4.413 3.769 3.769 83 HA ASN 14 HA ASN 149 6.503 2.802 2.802 84 1HB ASN 14 1HB ASN 149 7.911 2.665 2.665 85 2HB ASN 14 2HB ASN 149 7.280 4.275 4.275 86 1HD2 ASN 14 1HD2 ASN 149 7.475 1.835 1.835 87 2HD2 ASN 14 2HD2 ASN 149 6.587 2.582 2.582 88 H CYS 15 H CYS 150 4.489 1.169 1.169 89 HA CYS 15 HA CYS 150 4.904 -1.311 -1.311 90 1HB CYS 15 1HB CYS 150 2.769 -0.519 -0.519 91 2HB CYS 15 2HB CYS 150 2.834 -2.039 -2.039 92 H CYS 16 H CYS 151 5.249 -3.280 -3.280 93 HA CYS 16 HA CYS 151 6.559 -3.182 -3.182 94 1HB CYS 16 1HB CYS 151 5.520 -5.365 -5.365 95 2HB CYS 16 2HB CYS 151 5.661 -5.715 -5.715 96 H ARG 17 H ARG 152 3.209 -4.104 -4.104 97 HA ARG 17 HA ARG 152 2.572 -2.738 -2.738 98 1HB ARG 17 1HB ARG 152 1.341 -5.153 -5.153 99 2HB ARG 17 2HB ARG 152 0.414 -4.038 -4.038 100 1HG ARG 17 1HG ARG 152 3.047 -5.354 -5.354 101 2HG ARG 17 2HG ARG 152 1.448 -5.812 -5.812 102 1HD ARG 17 1HD ARG 152 2.936 -3.223 -3.223 103 2HD ARG 17 2HD ARG 152 2.549 -4.493 -4.493 104 HE ARG 17 HE ARG 152 0.199 -3.865 -3.865 105 1HH1 ARG 17 1HH2 ARG 152 2.461 -1.364 -1.364 106 2HH1 ARG 17 2HH2 ARG 152 1.344 -0.168 -0.168 107 1HH2 ARG 17 1HH1 ARG 152 -1.229 -2.125 -2.125 108 2HH2 ARG 17 2HH1 ARG 152 -0.711 -0.593 -0.593 109 H SER 18 H SER 153 0.951 -1.269 -1.269 110 HA SER 18 HA SER 153 1.339 0.705 0.705 111 1HB SER 18 1HB SER 153 0.505 1.054 1.054 112 2HB SER 18 2HB SER 153 -1.077 0.408 0.408 113 HG SER 18 HG SER 153 -1.051 2.792 2.792 114 H CYS 19 H CYS 154 0.308 1.745 1.745 115 HA CYS 19 HA CYS 154 -1.221 0.274 0.274 116 1HB CYS 19 1HB CYS 154 0.406 2.096 2.096 117 2HB CYS 19 2HB CYS 154 -0.739 3.263 3.263 118 H ASN 20 H ASN 155 -3.253 0.135 0.135 119 HA ASN 20 HA ASN 155 -5.157 1.252 1.252 120 1HB ASN 20 1HB ASN 155 -5.073 -1.224 -1.224 121 2HB ASN 20 2HB ASN 155 -5.562 -0.940 -0.940 122 1HD2 ASN 20 1HD2 ASN 155 -7.642 -1.683 -1.683 123 2HD2 ASN 20 2HD2 ASN 155 -8.869 -1.257 -1.257 124 HA HYP 21 HA HYP 156 -6.111 4.226 4.226 125 1HB HYP 21 1HB HYP 156 -8.231 4.798 4.798 126 2HB HYP 21 2HB HYP 156 -7.288 5.944 5.944 127 HG HYP 21 HG HYP 156 -6.502 5.542 5.542 128 HD1 HYP 21 HD1 HYP 156 -4.190 5.534 5.534 129 1HD2 HYP 21 1HD2 HYP 156 -4.898 3.321 3.321 130 2HD2 HYP 21 2HD2 HYP 156 -6.615 3.102 3.102 131 H TYR 22 H TYR 157 -8.532 2.173 2.173 132 HA TYR 22 HA TYR 157 -10.677 2.646 2.646 133 1HB TYR 22 1HB TYR 157 -10.220 0.414 0.414 134 2HB TYR 22 2HB TYR 157 -11.698 0.675 0.675 135 HD1 TYR 22 HD2 TYR 157 -12.701 3.156 3.156 136 HD2 TYR 22 HD1 TYR 157 -10.032 1.392 1.392 137 HE1 TYR 22 HE2 TYR 157 -13.216 5.021 5.021 138 HE2 TYR 22 HE1 TYR 157 -10.550 3.262 3.262 139 HH TYR 22 HH TYR 157 -12.891 5.953 5.953 140 H THR 23 H THR 158 -8.142 0.212 0.212 141 HA THR 23 HA THR 158 -9.301 -0.772 -0.772 142 HB THR 23 HB THR 158 -7.680 -2.686 -2.686 143 HG1 THR 23 HG1 THR 158 -6.739 -2.998 -2.998 144 1HG2 THR 23 1HG2 THR 158 -9.674 -2.280 -2.280 145 2HG2 THR 23 2HG2 THR 158 -8.982 -3.830 -3.830 146 3HG2 THR 23 3HG2 THR 158 -10.049 -2.937 -2.937 147 H LYS 24 H LYS 159 -6.898 1.242 1.242 148 HA LYS 24 HA LYS 159 -4.942 2.146 2.146 149 1HB LYS 24 1HB LYS 159 -5.776 1.119 1.119 150 2HB LYS 24 2HB LYS 159 -4.448 2.246 2.246 151 1HG LYS 24 1HG LYS 159 -7.230 2.854 2.854 152 2HG LYS 24 2HG LYS 159 -6.785 3.175 3.175 153 1HD LYS 24 1HD LYS 159 -4.994 4.655 4.655 154 2HD LYS 24 2HD LYS 159 -5.319 4.271 4.271 155 1HE LYS 24 1HE LYS 159 -7.575 5.356 5.356 156 2HE LYS 24 2HE LYS 159 -6.284 6.475 6.475 157 1HZ LYS 24 1HZ LYS 159 -7.817 4.869 4.869 158 2HZ LYS 24 2HZ LYS 159 -7.998 6.337 6.337 159 3HZ LYS 24 3HZ LYS 159 -6.730 5.811 5.811 160 H ARG 25 H ARG 160 -5.065 -0.732 -0.732 161 HA ARG 25 HA ARG 160 -2.505 -1.764 -1.764 162 1HB ARG 25 1HB ARG 160 -4.883 -3.234 -3.234 163 2HB ARG 25 2HB ARG 160 -3.294 -3.979 -3.979 164 1HG ARG 25 1HG ARG 160 -3.453 -3.739 -3.739 165 2HG ARG 25 2HG ARG 160 -4.882 -2.700 -2.700 166 1HD ARG 25 1HD ARG 160 -5.653 -4.886 -4.886 167 2HD ARG 25 2HD ARG 160 -6.087 -4.639 -4.639 168 HE ARG 25 HE ARG 160 -3.610 -6.016 -6.016 169 1HH1 ARG 25 1HH1 ARG 160 -7.023 -6.563 -6.563 170 2HH1 ARG 25 2HH1 ARG 160 -6.847 -8.146 -8.146 171 1HH2 ARG 25 1HH2 ARG 160 -3.460 -8.224 -8.224 172 2HH2 ARG 25 2HH2 ARG 160 -4.835 -9.081 -9.081 173 H CYS 26 H CYS 161 -1.016 -2.551 -2.551 174 HA CYS 26 HA CYS 161 -0.829 -1.595 -1.595 175 1HB CYS 26 1HB CYS 161 0.618 -3.880 -3.880 176 2HB CYS 26 2HB CYS 161 1.092 -3.107 -3.107 177 H TYR 27 H TYR 162 -1.377 -2.522 -2.522 178 HA TYR 27 HA TYR 162 -3.333 -4.444 -4.444 179 1HB TYR 27 1HB TYR 162 -1.301 -3.163 -3.163 180 2HB TYR 27 2HB TYR 162 -2.243 -4.533 -4.533 181 HD1 TYR 27 HD1 TYR 162 -4.930 -3.662 -3.662 182 HD2 TYR 27 HD2 TYR 162 -1.983 -1.678 -1.678 183 HE1 TYR 27 HE1 TYR 162 -6.581 -1.833 -1.833 184 HE2 TYR 27 HE2 TYR 162 -3.613 0.164 0.164 185 HH TYR 27 HH TYR 162 -5.484 1.135 1.135 186 1H NH2 28 1H1 TYR 162 -3.351 -6.536 -6.536 187 2H NH2 28 2H1 TYR 162 -2.075 -7.572 -7.572 Start of MODEL 7 1 1H CYS 1 1H CYS 163 10.617 -3.557 -3.557 2 2H CYS 1 2H CYS 163 10.993 -2.350 -2.350 3 3H CYS 1 3H CYS 163 11.080 -2.324 -2.324 4 HA CYS 1 HA CYS 163 9.121 -1.041 -1.041 5 1HB CYS 1 1HB CYS 163 7.455 -2.045 -2.045 6 2HB CYS 1 2HB CYS 163 9.005 -2.432 -2.432 7 H LYS 2 H LYS 164 7.028 -1.189 -1.189 8 HA LYS 2 HA LYS 164 6.953 -1.943 -1.943 9 1HB LYS 2 1HB LYS 164 4.788 -1.265 -1.265 10 2HB LYS 2 2HB LYS 164 4.385 -1.714 -1.714 11 1HG LYS 2 1HG LYS 164 6.321 0.495 0.495 12 2HG LYS 2 2HG LYS 164 4.575 0.766 0.766 13 1HD LYS 2 1HD LYS 164 6.017 -0.538 -0.538 14 2HD LYS 2 2HD LYS 164 6.221 1.204 1.204 15 1HE LYS 2 1HE LYS 164 4.449 1.027 1.027 16 2HE LYS 2 2HE LYS 164 3.660 1.326 1.326 17 1HZ LYS 2 1HZ LYS 164 3.900 -1.303 -1.303 18 2HZ LYS 2 2HZ LYS 164 2.634 -0.517 -0.517 19 3HZ LYS 2 3HZ LYS 164 3.234 -1.051 -1.051 20 H SER 3 H SER 165 6.723 -4.194 -4.194 21 HA SER 3 HA SER 165 5.712 -6.157 -6.157 22 1HB SER 3 1HB SER 165 5.147 -6.382 -6.382 23 2HB SER 3 2HB SER 165 5.150 -7.700 -7.700 24 HG SER 3 HG SER 165 7.192 -7.619 -7.619 25 HA HYP 4 HA HYP 166 1.486 -5.374 -5.374 26 1HB HYP 4 1HB HYP 166 1.695 -8.319 -8.319 27 2HB HYP 4 2HB HYP 166 0.772 -7.046 -7.046 28 HG HYP 4 HG HYP 166 3.145 -7.623 -7.623 29 HD1 HYP 4 HD1 HYP 166 3.722 -5.331 -5.331 30 1HD2 HYP 4 1HD2 HYP 166 4.821 -6.197 -6.197 31 2HD2 HYP 4 2HD2 HYP 166 4.392 -7.848 -7.848 32 H GLY 5 H GLY 167 -0.409 -5.661 -5.661 33 1HA GLY 5 1HA GLY 167 -2.080 -6.508 -6.508 34 2HA GLY 5 2HA GLY 167 -0.867 -7.547 -7.547 35 H SER 6 H SER 168 0.954 -5.288 -5.288 36 HA SER 6 HA SER 168 0.661 -4.647 -4.647 37 1HB SER 6 1HB SER 168 2.193 -3.134 -3.134 38 2HB SER 6 2HB SER 168 2.484 -3.007 -3.007 39 HG SER 6 HG SER 168 3.980 -4.537 -4.537 40 H SER 7 H SER 169 -0.219 -3.184 -3.184 41 HA SER 7 HA SER 169 -2.051 -1.211 -1.211 42 1HB SER 7 1HB SER 169 -0.595 -1.153 -1.153 43 2HB SER 7 2HB SER 169 -2.242 -0.613 -0.613 44 HG SER 7 HG SER 169 -2.232 -2.690 -2.690 45 H CYS 8 H CYS 170 -1.576 0.577 0.577 46 HA CYS 8 HA CYS 170 0.873 2.126 2.126 47 1HB CYS 8 1HB CYS 170 1.080 2.267 2.267 48 2HB CYS 8 2HB CYS 170 1.413 0.662 0.662 49 H SER 9 H SER 171 0.634 4.278 4.278 50 HA SER 9 HA SER 171 -2.012 5.400 5.400 51 1HB SER 9 1HB SER 171 -1.051 7.494 7.494 52 2HB SER 9 2HB SER 171 0.191 6.456 6.456 53 HG SER 9 HG SER 171 1.133 8.108 8.108 54 HA HYP 10 HA HYP 172 -3.079 5.734 5.734 55 1HB HYP 10 1HB HYP 172 -3.431 8.641 8.641 56 2HB HYP 10 2HB HYP 172 -4.512 7.603 7.603 57 HG HYP 10 HG HYP 172 -4.910 8.158 8.158 58 HD1 HYP 10 HD1 HYP 172 -6.266 6.216 6.216 59 1HD2 HYP 10 1HD2 HYP 172 -4.082 5.505 5.505 60 2HD2 HYP 10 2HD2 HYP 172 -3.359 7.003 7.003 61 H THR 11 H THR 173 -1.223 8.453 8.453 62 HA THR 11 HA THR 173 0.204 9.191 9.191 63 HB THR 11 HB THR 173 1.830 9.999 9.999 64 HG1 THR 11 HG1 THR 173 0.443 10.583 10.583 65 1HG2 THR 11 1HG2 THR 173 -0.735 11.328 11.328 66 2HG2 THR 11 2HG2 THR 173 0.618 12.099 12.099 67 3HG2 THR 11 3HG2 THR 173 0.842 11.468 11.468 68 H SER 12 H SER 174 1.016 6.715 6.715 69 HA SER 12 HA SER 174 3.715 6.503 6.503 70 1HB SER 12 1HB SER 174 4.154 4.942 4.942 71 2HB SER 12 2HB SER 174 3.607 6.529 6.529 72 HG SER 12 HG SER 174 2.536 4.752 4.752 73 H TYR 13 H TYR 175 2.538 6.070 6.070 74 HA TYR 13 HA TYR 175 1.701 3.522 3.522 75 1HB TYR 13 1HB TYR 175 2.856 5.891 5.891 76 2HB TYR 13 2HB TYR 175 2.297 4.421 4.421 77 HD1 TYR 13 HD1 TYR 175 -0.171 3.652 3.652 78 HD2 TYR 13 HD2 TYR 175 1.397 7.629 7.629 79 HE1 TYR 13 HE1 TYR 175 -2.507 4.553 4.553 80 HE2 TYR 13 HE2 TYR 175 -0.925 8.527 8.527 81 HH TYR 13 HH TYR 175 -3.022 8.205 8.205 82 H ASN 14 H ASN 176 4.192 3.555 3.555 83 HA ASN 14 HA ASN 176 6.353 2.741 2.741 84 1HB ASN 14 1HB ASN 176 7.789 2.891 2.891 85 2HB ASN 14 2HB ASN 176 6.806 4.358 4.358 86 1HD2 ASN 14 1HD2 ASN 176 8.286 3.401 3.401 87 2HD2 ASN 14 2HD2 ASN 176 7.215 3.212 3.212 88 H CYS 15 H CYS 177 4.242 0.998 0.998 89 HA CYS 15 HA CYS 177 5.154 -1.436 -1.436 90 1HB CYS 15 1HB CYS 177 2.582 -1.054 -1.054 91 2HB CYS 15 2HB CYS 177 2.989 -2.330 -2.330 92 H CYS 16 H CYS 178 5.437 -3.330 -3.330 93 HA CYS 16 HA CYS 178 6.417 -2.999 -2.999 94 1HB CYS 16 1HB CYS 178 5.552 -5.436 -5.436 95 2HB CYS 16 2HB CYS 178 6.092 -5.548 -5.548 96 H ARG 17 H ARG 179 3.255 -4.104 -4.104 97 HA ARG 17 HA ARG 179 2.201 -2.938 -2.938 98 1HB ARG 17 1HB ARG 179 0.827 -4.968 -4.968 99 2HB ARG 17 2HB ARG 179 0.238 -4.270 -4.270 100 1HG ARG 17 1HG ARG 179 2.105 -5.341 -5.341 101 2HG ARG 17 2HG ARG 179 2.675 -6.051 -6.051 102 1HD ARG 17 1HD ARG 179 0.506 -7.238 -7.238 103 2HD ARG 17 2HD ARG 179 -0.003 -6.569 -6.569 104 HE ARG 17 HE ARG 179 1.669 -7.887 -7.887 105 1HH1 ARG 17 1HH2 ARG 179 1.086 -8.945 -8.945 106 2HH1 ARG 17 2HH2 ARG 179 2.062 -10.263 -10.263 107 1HH2 ARG 17 1HH1 ARG 179 2.846 -9.807 -9.807 108 2HH2 ARG 17 2HH1 ARG 179 3.056 -10.752 -10.752 109 H SER 18 H SER 180 1.146 -1.134 -1.134 110 HA SER 18 HA SER 180 1.726 0.454 0.454 111 1HB SER 18 1HB SER 180 0.990 0.913 0.913 112 2HB SER 18 2HB SER 180 -0.554 1.271 1.271 113 HG SER 18 HG SER 180 0.841 3.204 3.204 114 H CYS 19 H CYS 181 0.377 1.786 1.786 115 HA CYS 19 HA CYS 181 -1.261 0.225 0.225 116 1HB CYS 19 1HB CYS 181 0.443 1.971 1.971 117 2HB CYS 19 2HB CYS 181 -0.689 3.200 3.200 118 H ASN 20 H ASN 182 -3.310 -0.156 -0.156 119 HA ASN 20 HA ASN 182 -5.116 1.417 1.417 120 1HB ASN 20 1HB ASN 182 -5.412 -1.005 -1.005 121 2HB ASN 20 2HB ASN 182 -5.747 -0.857 -0.857 122 1HD2 ASN 20 1HD2 ASN 182 -7.848 -1.750 -1.750 123 2HD2 ASN 20 2HD2 ASN 182 -9.089 -0.883 -0.883 124 HA HYP 21 HA HYP 183 -5.528 4.317 4.317 125 1HB HYP 21 1HB HYP 183 -7.642 5.446 5.446 126 2HB HYP 21 2HB HYP 183 -6.337 6.292 6.292 127 HG HYP 21 HG HYP 183 -6.038 5.869 5.869 128 HD1 HYP 21 HD1 HYP 183 -3.715 5.410 5.410 129 1HD2 HYP 21 1HD2 HYP 183 -4.927 3.369 3.369 130 2HD2 HYP 21 2HD2 HYP 183 -6.694 3.501 3.501 131 H TYR 22 H TYR 184 -8.326 3.007 3.007 132 HA TYR 22 HA TYR 184 -10.410 3.512 3.512 133 1HB TYR 22 1HB TYR 184 -10.636 2.771 2.771 134 2HB TYR 22 2HB TYR 184 -9.879 1.218 1.218 135 HD1 TYR 22 HD1 TYR 184 -12.940 3.280 3.280 136 HD2 TYR 22 HD2 TYR 184 -11.110 -0.573 -0.573 137 HE1 TYR 22 HE1 TYR 184 -15.205 2.241 2.241 138 HE2 TYR 22 HE2 TYR 184 -13.370 -1.621 -1.621 139 HH TYR 22 HH TYR 184 -15.543 -1.387 -1.387 140 H THR 23 H THR 185 -8.269 0.685 0.685 141 HA THR 23 HA THR 185 -9.470 -0.362 -0.362 142 HB THR 23 HB THR 185 -8.108 -2.369 -2.369 143 HG1 THR 23 HG1 THR 185 -6.995 -2.652 -2.652 144 1HG2 THR 23 1HG2 THR 185 -9.830 -1.656 -1.656 145 2HG2 THR 23 2HG2 THR 185 -9.281 -3.280 -3.280 146 3HG2 THR 23 3HG2 THR 185 -10.343 -2.369 -2.369 147 H LYS 24 H LYS 186 -6.932 1.612 1.612 148 HA LYS 24 HA LYS 186 -4.874 2.237 2.237 149 1HB LYS 24 1HB LYS 186 -6.301 1.769 1.769 150 2HB LYS 24 2HB LYS 186 -4.564 2.121 2.121 151 1HG LYS 24 1HG LYS 186 -5.053 4.067 4.067 152 2HG LYS 24 2HG LYS 186 -6.775 3.772 3.772 153 1HD LYS 24 1HD LYS 186 -6.252 5.477 5.477 154 2HD LYS 24 2HD LYS 186 -6.199 4.014 4.014 155 1HE LYS 24 1HE LYS 186 -3.794 5.475 5.475 156 2HE LYS 24 2HE LYS 186 -4.406 5.597 5.597 157 1HZ LYS 24 1HZ LYS 186 -3.314 3.161 3.161 158 2HZ LYS 24 2HZ LYS 186 -2.602 4.012 4.012 159 3HZ LYS 24 3HZ LYS 186 -3.829 3.265 3.265 160 H ARG 25 H ARG 187 -4.931 -0.335 -0.335 161 HA ARG 25 HA ARG 187 -2.646 -1.666 -1.666 162 1HB ARG 25 1HB ARG 187 -5.113 -2.952 -2.952 163 2HB ARG 25 2HB ARG 187 -3.613 -3.829 -3.829 164 1HG ARG 25 1HG ARG 187 -3.856 -3.306 -3.306 165 2HG ARG 25 2HG ARG 187 -5.344 -2.406 -2.406 166 1HD ARG 25 1HD ARG 187 -5.332 -5.106 -5.106 167 2HD ARG 25 2HD ARG 187 -5.201 -5.116 -5.116 168 HE ARG 25 HE ARG 187 -7.189 -3.469 -3.469 169 1HH1 ARG 25 1HH1 ARG 187 -6.920 -6.197 -6.197 170 2HH1 ARG 25 2HH1 ARG 187 -8.551 -6.403 -6.403 171 1HH2 ARG 25 1HH2 ARG 187 -9.316 -4.104 -4.104 172 2HH2 ARG 25 2HH2 ARG 187 -9.920 -5.212 -5.212 173 H CYS 26 H CYS 188 -1.146 -2.428 -2.428 174 HA CYS 26 HA CYS 188 -0.728 -1.518 -1.518 175 1HB CYS 26 1HB CYS 188 0.546 -3.775 -3.775 176 2HB CYS 26 2HB CYS 188 1.133 -3.161 -3.161 177 H TYR 27 H TYR 189 -1.463 -2.391 -2.391 178 HA TYR 27 HA TYR 189 -3.220 -4.539 -4.539 179 1HB TYR 27 1HB TYR 189 -1.669 -2.938 -2.938 180 2HB TYR 27 2HB TYR 189 -2.587 -4.365 -4.365 181 HD1 TYR 27 HD1 TYR 189 -5.058 -4.317 -4.317 182 HD2 TYR 27 HD2 TYR 189 -2.755 -1.014 -1.014 183 HE1 TYR 27 HE1 TYR 189 -7.182 -3.195 -3.195 184 HE2 TYR 27 HE2 TYR 189 -4.871 0.127 0.127 185 HH TYR 27 HH TYR 189 -7.054 0.110 0.110 186 1H NH2 28 1H1 TYR 189 -2.969 -6.598 -6.598 187 2H NH2 28 2H1 TYR 189 -1.539 -7.409 -7.409 Start of MODEL 8 1 1H CYS 1 1H CYS 190 11.044 -2.154 -2.154 2 2H CYS 1 2H CYS 190 10.848 -2.674 -2.674 3 3H CYS 1 3H CYS 190 10.684 -3.586 -3.586 4 HA CYS 1 HA CYS 190 8.891 -1.346 -1.346 5 1HB CYS 1 1HB CYS 190 7.507 -2.087 -2.087 6 2HB CYS 1 2HB CYS 190 9.156 -1.806 -1.806 7 H LYS 2 H LYS 191 7.027 -1.567 -1.567 8 HA LYS 2 HA LYS 191 6.586 -3.599 -3.599 9 1HB LYS 2 1HB LYS 191 4.881 -1.365 -1.365 10 2HB LYS 2 2HB LYS 191 4.217 -2.643 -2.643 11 1HG LYS 2 1HG LYS 191 5.982 -2.218 -2.218 12 2HG LYS 2 2HG LYS 191 6.646 -0.941 -0.941 13 1HD LYS 2 1HD LYS 191 4.611 0.357 0.357 14 2HD LYS 2 2HD LYS 191 3.791 -0.966 -0.966 15 1HE LYS 2 1HE LYS 191 5.172 -0.699 -0.699 16 2HE LYS 2 2HE LYS 191 6.287 0.376 0.376 17 1HZ LYS 2 1HZ LYS 191 3.503 1.038 1.038 18 2HZ LYS 2 2HZ LYS 191 4.665 1.634 1.634 19 3HZ LYS 2 3HZ LYS 191 4.442 1.943 1.943 20 H SER 3 H SER 192 6.188 -5.486 -5.486 21 HA SER 3 HA SER 192 5.090 -7.068 -7.068 22 1HB SER 3 1HB SER 192 5.990 -7.912 -7.912 23 2HB SER 3 2HB SER 192 4.694 -7.128 -7.128 24 HG SER 3 HG SER 192 4.309 -9.460 -9.460 25 HA HYP 4 HA HYP 193 0.657 -6.305 -6.305 26 1HB HYP 4 1HB HYP 193 0.703 -9.306 -9.306 27 2HB HYP 4 2HB HYP 193 -0.120 -8.297 -8.297 28 HG HYP 4 HG HYP 193 2.248 -9.587 -9.587 29 HD1 HYP 4 HD1 HYP 193 2.622 -8.036 -8.036 30 1HD2 HYP 4 1HD2 HYP 193 3.663 -7.151 -7.151 31 2HD2 HYP 4 2HD2 HYP 193 3.867 -8.573 -8.573 32 H GLY 5 H GLY 194 -0.970 -6.127 -6.127 33 1HA GLY 5 1HA GLY 194 -2.394 -6.494 -6.494 34 2HA GLY 5 2HA GLY 194 -1.290 -7.754 -7.754 35 H SER 6 H SER 195 0.937 -5.633 -5.633 36 HA SER 6 HA SER 195 0.867 -4.689 -4.689 37 1HB SER 6 1HB SER 195 2.980 -5.011 -5.011 38 2HB SER 6 2HB SER 195 2.561 -3.577 -3.577 39 HG SER 6 HG SER 195 4.032 -3.048 -3.048 40 H SER 7 H SER 196 0.720 -2.551 -2.551 41 HA SER 7 HA SER 196 -1.406 -1.017 -1.017 42 1HB SER 7 1HB SER 196 -1.413 -1.485 -1.485 43 2HB SER 7 2HB SER 196 0.014 -0.450 -0.450 44 HG SER 7 HG SER 196 -2.003 0.736 0.736 45 H CYS 8 H CYS 197 -1.295 0.934 0.934 46 HA CYS 8 HA CYS 197 1.122 2.510 2.510 47 1HB CYS 8 1HB CYS 197 0.874 2.533 2.533 48 2HB CYS 8 2HB CYS 197 1.277 0.930 0.930 49 H SER 9 H SER 198 0.733 4.505 4.505 50 HA SER 9 HA SER 198 -1.777 5.748 5.748 51 1HB SER 9 1HB SER 198 0.084 6.787 6.787 52 2HB SER 9 2HB SER 198 1.000 6.777 6.777 53 HG SER 9 HG SER 198 0.167 8.952 8.952 54 HA HYP 10 HA HYP 199 -3.061 6.829 6.829 55 1HB HYP 10 1HB HYP 199 -3.945 9.356 9.356 56 2HB HYP 10 2HB HYP 199 -4.846 8.375 8.375 57 HG HYP 10 HG HYP 199 -5.401 8.187 8.187 58 HD1 HYP 10 HD1 HYP 199 -5.981 5.907 5.907 59 1HD2 HYP 10 1HD2 HYP 199 -3.805 5.974 5.974 60 2HD2 HYP 10 2HD2 HYP 199 -3.299 7.613 7.613 61 H THR 11 H THR 200 -1.009 8.799 8.799 62 HA THR 11 HA THR 200 0.155 10.033 10.033 63 HB THR 11 HB THR 200 1.210 11.661 11.661 64 HG1 THR 11 HG1 THR 200 0.062 12.026 12.026 65 1HG2 THR 11 1HG2 THR 200 -1.800 11.713 11.713 66 2HG2 THR 11 2HG2 THR 200 -0.782 13.107 13.107 67 3HG2 THR 11 3HG2 THR 200 -0.592 12.291 12.291 68 H SER 12 H SER 201 0.743 7.370 7.370 69 HA SER 12 HA SER 201 3.625 7.453 7.453 70 1HB SER 12 1HB SER 201 2.577 5.972 5.972 71 2HB SER 12 2HB SER 201 4.256 6.278 6.278 72 HG SER 12 HG SER 201 3.572 7.673 7.673 73 H TYR 13 H TYR 202 2.954 6.453 6.453 74 HA TYR 13 HA TYR 202 1.701 3.841 3.841 75 1HB TYR 13 1HB TYR 202 2.941 5.604 5.604 76 2HB TYR 13 2HB TYR 202 2.143 4.053 4.053 77 HD1 TYR 13 HD2 TYR 202 1.597 7.611 7.611 78 HD2 TYR 13 HD1 TYR 202 -0.233 3.829 3.829 79 HE1 TYR 13 HE2 TYR 202 -0.682 8.640 8.640 80 HE2 TYR 13 HE1 TYR 202 -2.511 4.858 4.858 81 HH TYR 13 HH TYR 202 -2.894 8.260 8.260 82 H ASN 14 H ASN 203 3.583 3.512 3.512 83 HA ASN 14 HA ASN 203 6.194 2.926 2.926 84 1HB ASN 14 1HB ASN 203 6.873 2.700 2.700 85 2HB ASN 14 2HB ASN 203 5.960 4.196 4.196 86 1HD2 ASN 14 1HD2 ASN 203 6.524 2.963 2.963 87 2HD2 ASN 14 2HD2 ASN 203 5.110 2.566 2.566 88 H CYS 15 H CYS 204 4.071 1.203 1.203 89 HA CYS 15 HA CYS 204 4.575 -1.409 -1.409 90 1HB CYS 15 1HB CYS 204 2.279 -0.468 -0.468 91 2HB CYS 15 2HB CYS 204 2.442 -2.070 -2.070 92 H CYS 16 H CYS 205 4.812 -3.170 -3.170 93 HA CYS 16 HA CYS 205 6.359 -3.089 -3.089 94 1HB CYS 16 1HB CYS 205 4.687 -5.330 -5.330 95 2HB CYS 16 2HB CYS 205 5.953 -5.431 -5.431 96 H ARG 17 H ARG 206 2.808 -3.789 -3.789 97 HA ARG 17 HA ARG 206 2.690 -2.824 -2.824 98 1HB ARG 17 1HB ARG 206 0.898 -4.850 -4.850 99 2HB ARG 17 2HB ARG 206 0.581 -4.159 -4.159 100 1HG ARG 17 1HG ARG 206 1.609 -6.084 -6.084 101 2HG ARG 17 2HG ARG 206 3.053 -5.079 -5.079 102 1HD ARG 17 1HD ARG 206 3.175 -5.978 -5.978 103 2HD ARG 17 2HD ARG 206 1.935 -7.152 -7.152 104 HE ARG 17 HE ARG 206 4.127 -7.057 -7.057 105 1HH1 ARG 17 1HH2 ARG 206 3.253 -8.597 -8.597 106 2HH1 ARG 17 2HH2 ARG 206 4.284 -9.855 -9.855 107 1HH2 ARG 17 1HH1 ARG 206 5.533 -8.759 -8.759 108 2HH2 ARG 17 2HH1 ARG 206 5.585 -9.945 -9.945 109 H SER 18 H SER 207 2.791 -0.995 -0.995 110 HA SER 18 HA SER 207 1.968 1.028 1.028 111 1HB SER 18 1HB SER 207 1.241 1.108 1.108 112 2HB SER 18 2HB SER 207 -0.344 0.529 0.529 113 HG SER 18 HG SER 207 -0.290 2.901 2.901 114 H CYS 19 H CYS 208 0.249 2.139 2.139 115 HA CYS 19 HA CYS 208 -0.916 0.478 0.478 116 1HB CYS 19 1HB CYS 208 0.212 2.685 2.685 117 2HB CYS 19 2HB CYS 208 -1.161 3.475 3.475 118 H ASN 20 H ASN 209 -3.058 0.189 0.189 119 HA ASN 20 HA ASN 209 -5.051 1.395 1.395 120 1HB ASN 20 1HB ASN 209 -5.017 -1.127 -1.127 121 2HB ASN 20 2HB ASN 209 -5.482 -0.959 -0.959 122 1HD2 ASN 20 1HD2 ASN 209 -7.365 -2.207 -2.207 123 2HD2 ASN 20 2HD2 ASN 209 -8.668 -1.426 -1.426 124 HA HYP 21 HA HYP 210 -5.780 4.181 4.181 125 1HB HYP 21 1HB HYP 210 -7.817 5.034 5.034 126 2HB HYP 21 2HB HYP 210 -6.770 6.047 6.047 127 HG HYP 21 HG HYP 210 -6.008 5.671 5.671 128 HD1 HYP 21 HD1 HYP 210 -3.707 5.315 5.315 129 1HD2 HYP 21 1HD2 HYP 210 -4.786 3.292 3.292 130 2HD2 HYP 21 2HD2 HYP 210 -6.546 3.313 3.313 131 H TYR 22 H TYR 211 -8.239 2.455 2.455 132 HA TYR 22 HA TYR 211 -10.409 2.837 2.837 133 1HB TYR 22 1HB TYR 211 -9.971 0.772 0.772 134 2HB TYR 22 2HB TYR 211 -11.517 1.115 1.115 135 HD1 TYR 22 HD1 TYR 211 -12.358 3.605 3.605 136 HD2 TYR 22 HD2 TYR 211 -9.370 1.935 1.935 137 HE1 TYR 22 HE1 TYR 211 -12.541 5.626 5.626 138 HE2 TYR 22 HE2 TYR 211 -9.532 3.965 3.965 139 HH TYR 22 HH TYR 211 -10.456 5.915 5.915 140 H THR 23 H THR 212 -7.909 0.477 0.477 141 HA THR 23 HA THR 212 -9.145 -0.840 -0.840 142 HB THR 23 HB THR 212 -7.564 -2.717 -2.717 143 HG1 THR 23 HG1 THR 212 -6.510 -2.811 -2.811 144 1HG2 THR 23 1HG2 THR 212 -9.417 -2.025 -2.025 145 2HG2 THR 23 2HG2 THR 212 -8.752 -3.629 -3.629 146 3HG2 THR 23 3HG2 THR 212 -9.885 -2.871 -2.871 147 H LYS 24 H LYS 213 -6.782 1.355 1.355 148 HA LYS 24 HA LYS 213 -4.833 2.108 2.108 149 1HB LYS 24 1HB LYS 213 -5.958 0.780 0.780 150 2HB LYS 24 2HB LYS 213 -4.496 1.781 1.781 151 1HG LYS 24 1HG LYS 213 -7.080 2.836 2.836 152 2HG LYS 24 2HG LYS 213 -6.775 2.864 2.864 153 1HD LYS 24 1HD LYS 213 -4.812 4.237 4.237 154 2HD LYS 24 2HD LYS 213 -4.930 4.088 4.088 155 1HE LYS 24 1HE LYS 213 -7.206 5.260 5.260 156 2HE LYS 24 2HE LYS 213 -5.849 6.266 6.266 157 1HZ LYS 24 1HZ LYS 213 -7.561 4.742 4.742 158 2HZ LYS 24 2HZ LYS 213 -7.624 6.224 6.224 159 3HZ LYS 24 3HZ LYS 213 -6.419 5.589 5.589 160 H ARG 25 H ARG 214 -4.787 -0.570 -0.570 161 HA ARG 25 HA ARG 214 -2.400 -1.756 -1.756 162 1HB ARG 25 1HB ARG 214 -4.891 -3.196 -3.196 163 2HB ARG 25 2HB ARG 214 -3.313 -4.003 -4.003 164 1HG ARG 25 1HG ARG 214 -2.975 -3.475 -3.475 165 2HG ARG 25 2HG ARG 214 -4.427 -2.459 -2.459 166 1HD ARG 25 1HD ARG 214 -4.436 -5.452 -5.452 167 2HD ARG 25 2HD ARG 214 -4.765 -4.700 -4.700 168 HE ARG 25 HE ARG 214 -6.554 -3.460 -3.460 169 1HH1 ARG 25 1HH2 ARG 214 -5.920 -6.864 -6.864 170 2HH1 ARG 25 2HH2 ARG 214 -7.423 -7.169 -7.169 171 1HH2 ARG 25 1HH1 ARG 214 -8.543 -3.969 -3.969 172 2HH2 ARG 25 2HH1 ARG 214 -8.907 -5.529 -5.529 173 H CYS 26 H CYS 215 -0.983 -2.697 -2.697 174 HA CYS 26 HA CYS 215 -0.499 -1.794 -1.794 175 1HB CYS 26 1HB CYS 215 0.678 -4.111 -4.111 176 2HB CYS 26 2HB CYS 215 1.322 -3.509 -3.509 177 H TYR 27 H TYR 216 -0.847 -2.626 -2.626 178 HA TYR 27 HA TYR 216 -2.414 -4.984 -4.984 179 1HB TYR 27 1HB TYR 216 -0.960 -3.186 -3.186 180 2HB TYR 27 2HB TYR 216 -2.085 -4.486 -4.486 181 HD1 TYR 27 HD2 TYR 216 -4.538 -4.275 -4.275 182 HD2 TYR 27 HD1 TYR 216 -1.698 -1.009 -1.009 183 HE1 TYR 27 HE2 TYR 216 -6.380 -2.716 -2.716 184 HE2 TYR 27 HE1 TYR 216 -3.527 0.559 0.559 185 HH TYR 27 HH TYR 216 -7.012 -0.656 -0.656 186 1H NH2 28 1H1 TYR 216 -1.682 -6.801 -6.801 187 2H NH2 28 2H1 TYR 216 -0.111 -7.291 -7.291 Start of MODEL 9 1 1H CYS 1 1H CYS 217 10.684 -0.413 -0.413 2 2H CYS 1 2H CYS 217 10.628 -0.935 -0.935 3 3H CYS 1 3H CYS 217 10.842 -1.874 -1.874 4 HA CYS 1 HA CYS 217 8.358 -0.397 -0.397 5 1HB CYS 1 1HB CYS 217 7.410 -1.494 -1.494 6 2HB CYS 1 2HB CYS 217 8.977 -0.858 -0.858 7 H LYS 2 H LYS 218 6.654 -1.198 -1.198 8 HA LYS 2 HA LYS 218 6.852 -3.272 -3.272 9 1HB LYS 2 1HB LYS 218 4.576 -1.514 -1.514 10 2HB LYS 2 2HB LYS 218 4.419 -2.799 -2.799 11 1HG LYS 2 1HG LYS 218 6.113 -1.711 -1.711 12 2HG LYS 2 2HG LYS 218 6.319 -0.442 -0.442 13 1HD LYS 2 1HD LYS 218 4.031 0.291 0.291 14 2HD LYS 2 2HD LYS 218 3.672 -1.086 -1.086 15 1HE LYS 2 1HE LYS 218 5.006 -0.206 -0.206 16 2HE LYS 2 2HE LYS 218 5.788 0.970 0.970 17 1HZ LYS 2 1HZ LYS 218 2.949 1.035 1.035 18 2HZ LYS 2 2HZ LYS 218 3.961 1.984 1.984 19 3HZ LYS 2 3HZ LYS 218 3.608 2.024 2.024 20 H SER 3 H SER 219 6.364 -5.272 -5.272 21 HA SER 3 HA SER 219 5.650 -6.815 -6.815 22 1HB SER 3 1HB SER 219 6.458 -7.693 -7.693 23 2HB SER 3 2HB SER 219 4.856 -7.384 -7.384 24 HG SER 3 HG SER 219 5.078 -9.643 -9.643 25 HA HYP 4 HA HYP 220 1.343 -6.062 -6.062 26 1HB HYP 4 1HB HYP 220 1.760 -9.002 -9.002 27 2HB HYP 4 2HB HYP 220 0.832 -7.785 -7.785 28 HG HYP 4 HG HYP 220 3.215 -8.255 -8.255 29 HD1 HYP 4 HD1 HYP 220 3.769 -5.980 -5.980 30 1HD2 HYP 4 1HD2 HYP 220 4.754 -6.649 -6.649 31 2HD2 HYP 4 2HD2 HYP 220 4.473 -8.339 -8.339 32 H GLY 5 H GLY 221 -0.386 -6.089 -6.089 33 1HA GLY 5 1HA GLY 221 -2.094 -7.002 -7.002 34 2HA GLY 5 2HA GLY 221 -0.842 -7.974 -7.974 35 H SER 6 H SER 222 0.954 -5.725 -5.725 36 HA SER 6 HA SER 222 0.505 -5.169 -5.169 37 1HB SER 6 1HB SER 222 2.206 -3.517 -3.517 38 2HB SER 6 2HB SER 222 2.335 -3.575 -3.575 39 HG SER 6 HG SER 222 4.002 -4.883 -4.883 40 H SER 7 H SER 223 0.178 -3.374 -3.374 41 HA SER 7 HA SER 223 -1.632 -1.333 -1.333 42 1HB SER 7 1HB SER 223 -1.233 -0.391 -0.391 43 2HB SER 7 2HB SER 223 -1.833 -2.058 -2.058 44 HG SER 7 HG SER 223 -0.077 -1.787 -1.787 45 H CYS 8 H CYS 224 -1.224 0.436 0.436 46 HA CYS 8 HA CYS 224 1.307 1.881 1.881 47 1HB CYS 8 1HB CYS 224 1.147 2.016 2.016 48 2HB CYS 8 2HB CYS 224 1.583 0.425 0.425 49 H SER 9 H SER 225 1.143 3.958 3.958 50 HA SER 9 HA SER 225 -1.356 5.354 5.354 51 1HB SER 9 1HB SER 225 0.603 6.368 6.368 52 2HB SER 9 2HB SER 225 1.440 6.298 6.298 53 HG SER 9 HG SER 225 0.617 8.481 8.481 54 HA HYP 10 HA HYP 226 -2.612 5.516 5.516 55 1HB HYP 10 1HB HYP 226 -3.656 8.212 8.212 56 2HB HYP 10 2HB HYP 226 -4.466 7.001 7.001 57 HG HYP 10 HG HYP 226 -5.106 7.122 7.122 58 HD1 HYP 10 HD1 HYP 226 -5.350 4.762 4.762 59 1HD2 HYP 10 1HD2 HYP 226 -3.273 5.302 5.302 60 2HD2 HYP 10 2HD2 HYP 226 -2.962 7.044 7.044 61 H THR 11 H THR 227 -1.387 8.590 8.590 62 HA THR 11 HA THR 227 -0.715 9.828 9.828 63 HB THR 11 HB THR 227 -1.091 11.166 11.166 64 HG1 THR 11 HG1 THR 227 0.763 12.632 12.632 65 1HG2 THR 11 1HG2 THR 227 1.451 10.114 10.114 66 2HG2 THR 11 2HG2 THR 227 0.506 11.499 11.499 67 3HG2 THR 11 3HG2 THR 227 -0.198 9.875 9.875 68 H SER 12 H SER 228 1.232 7.705 7.705 69 HA SER 12 HA SER 228 3.695 8.207 8.207 70 1HB SER 12 1HB SER 228 4.462 6.250 6.250 71 2HB SER 12 2HB SER 228 3.991 7.767 7.767 72 HG SER 12 HG SER 228 3.043 5.872 5.872 73 H TYR 13 H TYR 229 1.178 5.824 5.824 74 HA TYR 13 HA TYR 229 1.066 3.708 3.708 75 1HB TYR 13 1HB TYR 229 2.262 5.520 5.520 76 2HB TYR 13 2HB TYR 229 1.681 3.880 3.880 77 HD1 TYR 13 HD2 TYR 229 -0.795 3.363 3.363 78 HD2 TYR 13 HD1 TYR 229 0.794 7.322 7.322 79 HE1 TYR 13 HE2 TYR 229 -3.113 4.216 4.216 80 HE2 TYR 13 HE1 TYR 229 -1.538 8.186 8.186 81 HH TYR 13 HH TYR 229 -4.425 5.894 5.894 82 H ASN 14 H ASN 230 3.010 3.550 3.550 83 HA ASN 14 HA ASN 230 5.602 3.105 3.105 84 1HB ASN 14 1HB ASN 230 6.335 3.026 3.026 85 2HB ASN 14 2HB ASN 230 5.424 4.480 4.480 86 1HD2 ASN 14 1HD2 ASN 230 5.957 2.723 2.723 87 2HD2 ASN 14 2HD2 ASN 230 4.504 2.660 2.660 88 H CYS 15 H CYS 231 3.872 1.098 1.098 89 HA CYS 15 HA CYS 231 4.785 -1.381 -1.381 90 1HB CYS 15 1HB CYS 231 2.260 -0.831 -0.831 91 2HB CYS 15 2HB CYS 231 2.706 -2.368 -2.368 92 H CYS 16 H CYS 232 5.178 -3.101 -3.101 93 HA CYS 16 HA CYS 232 6.603 -2.871 -2.871 94 1HB CYS 16 1HB CYS 232 5.448 -5.333 -5.333 95 2HB CYS 16 2HB CYS 232 6.703 -5.274 -5.274 96 H ARG 17 H ARG 233 3.320 -4.243 -4.243 97 HA ARG 17 HA ARG 233 2.620 -2.831 -2.831 98 1HB ARG 17 1HB ARG 233 1.094 -5.150 -5.150 99 2HB ARG 17 2HB ARG 233 0.621 -4.220 -4.220 100 1HG ARG 17 1HG ARG 233 2.607 -5.010 -5.010 101 2HG ARG 17 2HG ARG 233 3.131 -5.901 -5.901 102 1HD ARG 17 1HD ARG 233 0.472 -6.341 -6.341 103 2HD ARG 17 2HD ARG 233 1.921 -7.316 -7.316 104 HE ARG 17 HE ARG 233 1.623 -7.399 -7.399 105 1HH1 ARG 17 1HH1 ARG 233 -0.653 -8.173 -8.173 106 2HH1 ARG 17 2HH1 ARG 233 -1.404 -9.337 -9.337 107 1HH2 ARG 17 1HH2 ARG 233 1.014 -9.401 -9.401 108 2HH2 ARG 17 2HH2 ARG 233 -0.413 -10.066 -10.066 109 H SER 18 H SER 234 2.629 -1.108 -1.108 110 HA SER 18 HA SER 234 1.706 0.716 0.716 111 1HB SER 18 1HB SER 234 1.385 0.743 0.743 112 2HB SER 18 2HB SER 234 -0.210 0.013 0.013 113 HG SER 18 HG SER 234 -0.346 2.378 2.378 114 H CYS 19 H CYS 235 0.185 1.784 1.784 115 HA CYS 19 HA CYS 235 -1.297 0.059 0.059 116 1HB CYS 19 1HB CYS 235 0.194 2.014 2.014 117 2HB CYS 19 2HB CYS 235 -1.138 3.056 3.056 118 H ASN 20 H ASN 236 -3.428 0.195 0.195 119 HA ASN 20 HA ASN 236 -5.308 1.304 1.304 120 1HB ASN 20 1HB ASN 236 -5.527 -1.023 -1.023 121 2HB ASN 20 2HB ASN 236 -5.963 -0.168 -0.168 122 1HD2 ASN 20 1HD2 ASN 236 -8.009 -1.566 -1.566 123 2HD2 ASN 20 2HD2 ASN 236 -9.193 -0.842 -0.842 124 HA HYP 21 HA HYP 237 -5.786 5.025 5.025 125 1HB HYP 21 1HB HYP 237 -7.531 6.224 6.224 126 2HB HYP 21 2HB HYP 237 -5.771 6.316 6.316 127 HG HYP 21 HG HYP 237 -7.723 4.383 4.383 128 HD1 HYP 21 HD1 HYP 237 -6.428 4.807 4.807 129 1HD2 HYP 21 1HD2 HYP 237 -4.691 3.954 3.954 130 2HD2 HYP 21 2HD2 HYP 237 -5.945 2.739 2.739 131 H TYR 22 H TYR 238 -8.177 2.789 2.789 132 HA TYR 22 HA TYR 238 -10.204 3.706 3.706 133 1HB TYR 22 1HB TYR 238 -10.460 2.481 2.481 134 2HB TYR 22 2HB TYR 238 -10.212 1.020 1.020 135 HD1 TYR 22 HD1 TYR 238 -12.284 4.170 4.170 136 HD2 TYR 22 HD2 TYR 238 -12.047 -0.015 -0.015 137 HE1 TYR 22 HE1 TYR 238 -14.646 4.262 4.262 138 HE2 TYR 22 HE2 TYR 238 -14.412 0.074 0.074 139 HH TYR 22 HH TYR 238 -16.154 1.286 1.286 140 H THR 23 H THR 239 -8.274 0.659 0.659 141 HA THR 23 HA THR 239 -8.956 0.527 0.527 142 HB THR 23 HB THR 239 -8.544 -1.930 -1.930 143 HG1 THR 23 HG1 THR 239 -8.468 -2.978 -2.978 144 1HG2 THR 23 1HG2 THR 239 -10.680 -0.896 -0.896 145 2HG2 THR 23 2HG2 THR 239 -10.640 -2.508 -2.508 146 3HG2 THR 23 3HG2 THR 239 -10.859 -1.075 -1.075 147 H LYS 24 H LYS 240 -6.513 1.740 1.740 148 HA LYS 24 HA LYS 240 -4.437 2.271 2.271 149 1HB LYS 24 1HB LYS 240 -5.119 1.178 1.178 150 2HB LYS 24 2HB LYS 240 -4.187 2.614 2.614 151 1HG LYS 24 1HG LYS 240 -7.187 2.301 2.301 152 2HG LYS 24 2HG LYS 240 -6.254 3.248 3.248 153 1HD LYS 24 1HD LYS 240 -5.582 4.810 4.810 154 2HD LYS 24 2HD LYS 240 -6.297 3.805 3.805 155 1HE LYS 24 1HE LYS 240 -8.535 4.156 4.156 156 2HE LYS 24 2HE LYS 240 -7.779 5.262 5.262 157 1HZ LYS 24 1HZ LYS 240 -7.752 5.665 5.665 158 2HZ LYS 24 2HZ LYS 240 -8.600 6.451 6.451 159 3HZ LYS 24 3HZ LYS 240 -7.117 6.596 6.596 160 H ARG 25 H ARG 241 -4.622 -0.245 -0.245 161 HA ARG 25 HA ARG 241 -2.567 -1.906 -1.906 162 1HB ARG 25 1HB ARG 241 -5.176 -2.879 -2.879 163 2HB ARG 25 2HB ARG 241 -3.758 -3.923 -3.923 164 1HG ARG 25 1HG ARG 241 -3.743 -3.277 -3.277 165 2HG ARG 25 2HG ARG 241 -5.305 -2.486 -2.486 166 1HD ARG 25 1HD ARG 241 -4.881 -5.365 -5.365 167 2HD ARG 25 2HD ARG 241 -5.260 -4.922 -4.922 168 HE ARG 25 HE ARG 241 -7.366 -4.108 -4.108 169 1HH1 ARG 25 1HH1 ARG 241 -5.777 -6.021 -6.021 170 2HH1 ARG 25 2HH1 ARG 241 -7.169 -6.291 -6.291 171 1HH2 ARG 25 1HH2 ARG 241 -9.216 -4.847 -4.847 172 2HH2 ARG 25 2HH2 ARG 241 -9.145 -5.625 -5.625 173 H CYS 26 H CYS 242 -1.130 -2.805 -2.805 174 HA CYS 26 HA CYS 242 -0.667 -1.939 -1.939 175 1HB CYS 26 1HB CYS 242 0.362 -4.439 -4.439 176 2HB CYS 26 2HB CYS 242 1.051 -3.680 -3.680 177 H TYR 27 H TYR 243 -1.279 -2.771 -2.771 178 HA TYR 27 HA TYR 243 -3.105 -4.918 -4.918 179 1HB TYR 27 1HB TYR 243 -1.415 -3.389 -3.389 180 2HB TYR 27 2HB TYR 243 -2.633 -4.600 -4.600 181 HD1 TYR 27 HD1 TYR 243 -4.779 -3.763 -3.763 182 HD2 TYR 27 HD2 TYR 243 -2.299 -1.541 -1.541 183 HE1 TYR 27 HE1 TYR 243 -6.599 -2.055 -2.055 184 HE2 TYR 27 HE2 TYR 243 -4.102 0.189 0.189 185 HH TYR 27 HH TYR 243 -6.092 0.863 0.863 186 1H NH2 28 1H1 TYR 243 -2.658 -6.956 -6.956 187 2H NH2 28 2H1 TYR 243 -1.165 -7.648 -7.648 Start of MODEL 10 1 1H CYS 1 1H CYS 244 10.935 -3.855 -3.855 2 2H CYS 1 2H CYS 244 11.383 -2.467 -2.467 3 3H CYS 1 3H CYS 244 11.215 -2.895 -2.895 4 HA CYS 1 HA CYS 244 9.357 -1.460 -1.460 5 1HB CYS 1 1HB CYS 244 7.840 -2.145 -2.145 6 2HB CYS 1 2HB CYS 244 9.482 -1.860 -1.860 7 H LYS 2 H LYS 245 7.353 -1.648 -1.648 8 HA LYS 2 HA LYS 245 6.706 -3.672 -3.672 9 1HB LYS 2 1HB LYS 245 5.278 -1.253 -1.253 10 2HB LYS 2 2HB LYS 245 4.363 -2.487 -2.487 11 1HG LYS 2 1HG LYS 245 5.939 -2.227 -2.227 12 2HG LYS 2 2HG LYS 245 6.743 -0.915 -0.915 13 1HD LYS 2 1HD LYS 245 4.594 0.290 0.290 14 2HD LYS 2 2HD LYS 245 3.796 -1.019 -1.019 15 1HE LYS 2 1HE LYS 245 4.878 -0.463 -0.463 16 2HE LYS 2 2HE LYS 245 6.134 0.478 0.478 17 1HZ LYS 2 1HZ LYS 245 3.306 1.250 1.250 18 2HZ LYS 2 2HZ LYS 245 4.370 1.929 1.929 19 3HZ LYS 2 3HZ LYS 245 4.364 2.042 2.042 20 H SER 3 H SER 246 6.445 -5.549 -5.549 21 HA SER 3 HA SER 246 5.252 -6.970 -6.970 22 1HB SER 3 1HB SER 246 5.972 -7.846 -7.846 23 2HB SER 3 2HB SER 246 4.443 -7.251 -7.251 24 HG SER 3 HG SER 246 4.313 -9.561 -9.561 25 HA HYP 4 HA HYP 247 0.986 -5.885 -5.885 26 1HB HYP 4 1HB HYP 247 0.993 -8.901 -8.901 27 2HB HYP 4 2HB HYP 247 0.174 -7.645 -7.645 28 HG HYP 4 HG HYP 247 2.503 -8.574 -8.574 29 HD1 HYP 4 HD1 HYP 247 3.221 -6.432 -6.432 30 1HD2 HYP 4 1HD2 HYP 247 4.246 -6.937 -6.937 31 2HD2 HYP 4 2HD2 HYP 247 3.835 -8.522 -8.522 32 H GLY 5 H GLY 248 -0.525 -5.699 -5.699 33 1HA GLY 5 1HA GLY 248 -2.123 -6.569 -6.569 34 2HA GLY 5 2HA GLY 248 -0.829 -7.621 -7.621 35 H SER 6 H SER 249 1.074 -5.302 -5.302 36 HA SER 6 HA SER 249 0.968 -4.641 -4.641 37 1HB SER 6 1HB SER 249 2.483 -3.039 -3.039 38 2HB SER 6 2HB SER 249 2.873 -3.242 -3.242 39 HG SER 6 HG SER 249 4.305 -4.520 -4.520 40 H SER 7 H SER 250 0.149 -2.995 -2.995 41 HA SER 7 HA SER 250 -1.494 -0.936 -0.936 42 1HB SER 7 1HB SER 250 0.299 -0.981 -0.981 43 2HB SER 7 2HB SER 250 -1.048 0.138 0.138 44 HG SER 7 HG SER 250 -1.696 -1.712 -1.712 45 H CYS 8 H CYS 251 -1.277 0.929 0.929 46 HA CYS 8 HA CYS 251 1.172 2.439 2.439 47 1HB CYS 8 1HB CYS 251 0.878 2.548 2.548 48 2HB CYS 8 2HB CYS 251 1.245 0.913 0.913 49 H SER 9 H SER 252 0.676 4.559 4.559 50 HA SER 9 HA SER 252 -2.026 5.518 5.518 51 1HB SER 9 1HB SER 252 -1.190 7.579 7.579 52 2HB SER 9 2HB SER 252 0.176 6.549 6.549 53 HG SER 9 HG SER 252 0.884 8.488 8.488 54 HA HYP 10 HA HYP 253 -3.102 6.512 6.512 55 1HB HYP 10 1HB HYP 253 -4.092 9.060 9.060 56 2HB HYP 10 2HB HYP 253 -4.901 8.059 8.059 57 HG HYP 10 HG HYP 253 -5.631 7.751 7.751 58 HD1 HYP 10 HD1 HYP 253 -5.809 5.371 5.371 59 1HD2 HYP 10 1HD2 HYP 253 -3.840 5.915 5.915 60 2HD2 HYP 10 2HD2 HYP 253 -3.518 7.645 7.645 61 H THR 11 H THR 254 -1.235 8.891 8.891 62 HA THR 11 HA THR 254 -0.163 10.073 10.073 63 HB THR 11 HB THR 254 1.536 11.058 11.058 64 HG1 THR 11 HG1 THR 254 0.727 11.186 11.186 65 1HG2 THR 11 1HG2 THR 254 -1.377 11.801 11.801 66 2HG2 THR 11 2HG2 THR 254 -0.013 12.810 12.810 67 3HG2 THR 11 3HG2 THR 254 -0.204 12.372 12.372 68 H SER 12 H SER 255 0.680 7.302 7.302 69 HA SER 12 HA SER 255 3.386 7.288 7.288 70 1HB SER 12 1HB SER 255 4.196 6.127 6.127 71 2HB SER 12 2HB SER 255 3.419 7.641 7.641 72 HG SER 12 HG SER 255 2.831 5.841 5.841 73 H TYR 13 H TYR 256 2.920 6.327 6.327 74 HA TYR 13 HA TYR 256 1.868 3.666 3.666 75 1HB TYR 13 1HB TYR 256 3.196 5.557 5.557 76 2HB TYR 13 2HB TYR 256 2.571 3.957 3.957 77 HD1 TYR 13 HD1 TYR 256 0.175 3.415 3.415 78 HD2 TYR 13 HD2 TYR 256 1.659 7.464 7.464 79 HE1 TYR 13 HE1 TYR 256 -2.160 4.210 4.210 80 HE2 TYR 13 HE2 TYR 256 -0.679 8.256 8.256 81 HH TYR 13 HH TYR 256 -2.816 7.689 7.689 82 H ASN 14 H ASN 257 3.729 3.521 3.521 83 HA ASN 14 HA ASN 257 6.414 2.867 2.867 84 1HB ASN 14 1HB ASN 257 6.990 2.972 2.972 85 2HB ASN 14 2HB ASN 257 6.055 4.408 4.408 86 1HD2 ASN 14 1HD2 ASN 257 6.514 2.245 2.245 87 2HD2 ASN 14 2HD2 ASN 257 5.068 2.255 2.255 88 H CYS 15 H CYS 258 4.568 1.180 1.180 89 HA CYS 15 HA CYS 258 4.870 -1.377 -1.377 90 1HB CYS 15 1HB CYS 258 2.706 -0.398 -0.398 91 2HB CYS 15 2HB CYS 258 2.771 -2.000 -2.000 92 H CYS 16 H CYS 259 5.111 -3.199 -3.199 93 HA CYS 16 HA CYS 259 6.532 -3.253 -3.253 94 1HB CYS 16 1HB CYS 259 5.007 -5.472 -5.472 95 2HB CYS 16 2HB CYS 259 6.203 -5.685 -5.685 96 H ARG 17 H ARG 260 3.123 -4.201 -4.201 97 HA ARG 17 HA ARG 260 2.580 -2.863 -2.863 98 1HB ARG 17 1HB ARG 260 0.843 -4.913 -4.913 99 2HB ARG 17 2HB ARG 260 0.510 -4.061 -4.061 100 1HG ARG 17 1HG ARG 260 2.414 -5.145 -5.145 101 2HG ARG 17 2HG ARG 260 2.842 -5.939 -5.939 102 1HD ARG 17 1HD ARG 260 0.172 -6.330 -6.330 103 2HD ARG 17 2HD ARG 260 1.574 -7.376 -7.376 104 HE ARG 17 HE ARG 260 1.282 -7.374 -7.374 105 1HH1 ARG 17 1HH2 ARG 260 -0.893 -8.292 -8.292 106 2HH1 ARG 17 2HH2 ARG 260 -1.724 -9.345 -9.345 107 1HH2 ARG 17 1HH1 ARG 260 0.107 -8.860 -8.860 108 2HH2 ARG 17 2HH1 ARG 260 -1.158 -9.670 -9.670 109 H SER 18 H SER 261 2.053 -0.946 -0.946 110 HA SER 18 HA SER 261 1.776 0.851 0.851 111 1HB SER 18 1HB SER 261 -0.442 0.486 0.486 112 2HB SER 18 2HB SER 261 0.019 2.003 2.003 113 HG SER 18 HG SER 261 1.035 1.782 1.782 114 H CYS 19 H CYS 262 0.415 2.033 2.033 115 HA CYS 19 HA CYS 262 -1.070 0.537 0.537 116 1HB CYS 19 1HB CYS 262 0.286 2.631 2.631 117 2HB CYS 19 2HB CYS 262 -1.003 3.551 3.551 118 H ASN 20 H ASN 263 -3.219 0.268 0.268 119 HA ASN 20 HA ASN 263 -5.034 1.425 1.425 120 1HB ASN 20 1HB ASN 263 -5.024 -1.025 -1.025 121 2HB ASN 20 2HB ASN 263 -5.580 -0.786 -0.786 122 1HD2 ASN 20 1HD2 ASN 263 -7.191 -2.297 -2.297 123 2HD2 ASN 20 2HD2 ASN 263 -8.554 -1.504 -1.504 124 HA HYP 21 HA HYP 264 -6.216 4.530 4.530 125 1HB HYP 21 1HB HYP 264 -8.231 4.720 4.720 126 2HB HYP 21 2HB HYP 264 -7.674 6.011 6.011 127 HG HYP 21 HG HYP 264 -6.397 5.808 5.808 128 HD1 HYP 21 HD1 HYP 264 -4.281 6.126 6.126 129 1HD2 HYP 21 1HD2 HYP 264 -4.571 3.799 3.799 130 2HD2 HYP 21 2HD2 HYP 264 -6.125 3.378 3.378 131 H TYR 22 H TYR 265 -8.495 2.388 2.388 132 HA TYR 22 HA TYR 265 -10.711 2.565 2.565 133 1HB TYR 22 1HB TYR 265 -10.677 1.620 1.620 134 2HB TYR 22 2HB TYR 265 -9.653 0.283 0.283 135 HD1 TYR 22 HD2 TYR 265 -12.852 1.883 1.883 136 HD2 TYR 22 HD1 TYR 265 -10.748 -1.718 -1.718 137 HE1 TYR 22 HE2 TYR 265 -14.782 0.498 0.498 138 HE2 TYR 22 HE1 TYR 265 -12.700 -3.107 -3.107 139 HH TYR 22 HH TYR 265 -15.740 -1.463 -1.463 140 H THR 23 H THR 266 -7.973 0.361 0.361 141 HA THR 23 HA THR 266 -9.063 -0.802 -0.802 142 HB THR 23 HB THR 266 -7.314 -2.602 -2.602 143 HG1 THR 23 HG1 THR 266 -6.357 -2.676 -2.676 144 1HG2 THR 23 1HG2 THR 266 -9.331 -2.165 -2.165 145 2HG2 THR 23 2HG2 THR 266 -8.523 -3.693 -3.693 146 3HG2 THR 23 3HG2 THR 266 -9.656 -2.976 -2.976 147 H LYS 24 H LYS 267 -6.871 1.481 1.481 148 HA LYS 24 HA LYS 267 -4.737 2.167 2.167 149 1HB LYS 24 1HB LYS 267 -6.034 1.984 1.984 150 2HB LYS 24 2HB LYS 267 -4.344 2.498 2.498 151 1HG LYS 24 1HG LYS 267 -4.872 4.291 4.291 152 2HG LYS 24 2HG LYS 267 -6.416 3.573 3.573 153 1HD LYS 24 1HD LYS 267 -5.954 4.560 4.560 154 2HD LYS 24 2HD LYS 267 -6.467 5.649 5.649 155 1HE LYS 24 1HE LYS 267 -7.980 3.108 3.108 156 2HE LYS 24 2HE LYS 267 -8.329 4.659 4.659 157 1HZ LYS 24 1HZ LYS 267 -8.496 4.216 4.216 158 2HZ LYS 24 2HZ LYS 267 -9.684 4.351 4.351 159 3HZ LYS 24 3HZ LYS 267 -8.790 5.521 5.521 160 H ARG 25 H ARG 268 -4.779 -0.449 -0.449 161 HA ARG 25 HA ARG 268 -2.376 -1.637 -1.637 162 1HB ARG 25 1HB ARG 268 -5.042 -2.968 -2.968 163 2HB ARG 25 2HB ARG 268 -3.534 -3.898 -3.898 164 1HG ARG 25 1HG ARG 268 -3.091 -3.326 -3.326 165 2HG ARG 25 2HG ARG 268 -4.394 -2.124 -2.124 166 1HD ARG 25 1HD ARG 268 -4.923 -5.053 -5.053 167 2HD ARG 25 2HD ARG 268 -4.848 -4.358 -4.358 168 HE ARG 25 HE ARG 268 -6.608 -2.762 -2.762 169 1HH1 ARG 25 1HH2 ARG 268 -6.505 -5.734 -5.734 170 2HH1 ARG 25 2HH2 ARG 268 -8.123 -6.020 -6.020 171 1HH2 ARG 25 1HH1 ARG 268 -8.860 -3.041 -3.041 172 2HH2 ARG 25 2HH1 ARG 268 -9.478 -4.467 -4.467 173 H CYS 26 H CYS 269 -1.008 -2.422 -2.422 174 HA CYS 26 HA CYS 269 -0.831 -1.557 -1.557 175 1HB CYS 26 1HB CYS 269 0.501 -3.980 -3.980 176 2HB CYS 26 2HB CYS 269 1.002 -3.137 -3.137 177 H TYR 27 H TYR 270 -1.317 -2.395 -2.395 178 HA TYR 27 HA TYR 270 -3.248 -4.394 -4.394 179 1HB TYR 27 1HB TYR 270 -1.365 -2.796 -2.796 180 2HB TYR 27 2HB TYR 270 -2.286 -4.137 -4.137 181 HD1 TYR 27 HD1 TYR 270 -4.942 -4.037 -4.037 182 HD2 TYR 27 HD2 TYR 270 -2.194 -0.720 -0.720 183 HE1 TYR 27 HE1 TYR 270 -6.869 -2.500 -2.500 184 HE2 TYR 27 HE2 TYR 270 -4.121 0.817 0.817 185 HH TYR 27 HH TYR 270 -6.271 1.113 1.113 186 1H NH2 28 1H1 TYR 270 -2.824 -6.255 -6.255 187 2H NH2 28 2H1 TYR 270 -1.486 -7.185 -7.185 Start of MODEL 11 1 1H CYS 1 1H CYS 271 10.690 -2.592 -2.592 2 2H CYS 1 2H CYS 271 10.803 -1.235 -1.235 3 3H CYS 1 3H CYS 271 10.561 -1.380 -1.380 4 HA CYS 1 HA CYS 271 8.488 -0.690 -0.690 5 1HB CYS 1 1HB CYS 271 7.569 -1.779 -1.779 6 2HB CYS 1 2HB CYS 271 9.301 -1.881 -1.881 7 H LYS 2 H LYS 272 6.483 -1.357 -1.357 8 HA LYS 2 HA LYS 272 6.404 -3.512 -3.512 9 1HB LYS 2 1HB LYS 272 4.547 -1.298 -1.298 10 2HB LYS 2 2HB LYS 272 3.912 -2.695 -2.695 11 1HG LYS 2 1HG LYS 272 5.446 -2.306 -2.306 12 2HG LYS 2 2HG LYS 272 6.273 -1.028 -1.028 13 1HD LYS 2 1HD LYS 272 4.092 0.213 0.213 14 2HD LYS 2 2HD LYS 272 3.420 -1.012 -1.012 15 1HE LYS 2 1HE LYS 272 4.830 -0.349 -0.349 16 2HE LYS 2 2HE LYS 272 5.908 0.558 0.558 17 1HZ LYS 2 1HZ LYS 272 3.120 1.278 1.278 18 2HZ LYS 2 2HZ LYS 272 4.283 2.023 2.023 19 3HZ LYS 2 3HZ LYS 272 4.028 2.041 2.041 20 H SER 3 H SER 273 6.036 -5.369 -5.369 21 HA SER 3 HA SER 273 5.453 -6.830 -6.830 22 1HB SER 3 1HB SER 273 4.569 -7.478 -7.478 23 2HB SER 3 2HB SER 273 4.744 -8.640 -8.640 24 HG SER 3 HG SER 273 6.643 -8.653 -8.653 25 HA HYP 4 HA HYP 274 1.232 -5.908 -5.908 26 1HB HYP 4 1HB HYP 274 1.461 -8.825 -8.825 27 2HB HYP 4 2HB HYP 274 0.676 -7.487 -7.487 28 HG HYP 4 HG HYP 274 3.139 -8.142 -8.142 29 HD1 HYP 4 HD1 HYP 274 3.786 -5.867 -5.867 30 1HD2 HYP 4 1HD2 HYP 274 4.633 -6.683 -6.683 31 2HD2 HYP 4 2HD2 HYP 274 4.216 -8.364 -8.364 32 H GLY 5 H GLY 275 -0.569 -5.994 -5.994 33 1HA GLY 5 1HA GLY 275 -2.211 -6.952 -6.952 34 2HA GLY 5 2HA GLY 275 -0.924 -7.980 -7.980 35 H SER 6 H SER 276 0.977 -5.821 -5.821 36 HA SER 6 HA SER 276 0.531 -5.254 -5.254 37 1HB SER 6 1HB SER 276 2.532 -3.970 -3.970 38 2HB SER 6 2HB SER 276 2.535 -3.820 -3.820 39 HG SER 6 HG SER 276 4.101 -5.435 -5.435 40 H SER 7 H SER 277 0.273 -3.451 -3.451 41 HA SER 7 HA SER 277 -1.451 -1.371 -1.371 42 1HB SER 7 1HB SER 277 0.423 -1.337 -1.337 43 2HB SER 7 2HB SER 277 -1.117 -0.479 -0.479 44 HG SER 7 HG SER 277 -1.339 -2.412 -2.412 45 H CYS 8 H CYS 278 -1.088 0.399 0.399 46 HA CYS 8 HA CYS 278 1.517 1.665 1.665 47 1HB CYS 8 1HB CYS 278 1.288 1.675 1.675 48 2HB CYS 8 2HB CYS 278 1.345 0.026 0.026 49 H SER 9 H SER 279 1.388 3.585 3.585 50 HA SER 9 HA SER 279 -0.818 5.322 5.322 51 1HB SER 9 1HB SER 279 1.408 6.012 6.012 52 2HB SER 9 2HB SER 279 2.005 5.899 5.899 53 HG SER 9 HG SER 279 1.479 8.145 8.145 54 HA HYP 10 HA HYP 280 -2.673 5.277 5.277 55 1HB HYP 10 1HB HYP 280 -3.800 7.776 7.776 56 2HB HYP 10 2HB HYP 280 -4.643 6.576 6.576 57 HG HYP 10 HG HYP 280 -4.861 6.418 6.418 58 HD1 HYP 10 HD1 HYP 280 -4.853 4.033 4.033 59 1HD2 HYP 10 1HD2 HYP 280 -2.761 4.764 4.764 60 2HD2 HYP 10 2HD2 HYP 280 -2.642 6.519 6.519 61 H THR 11 H THR 281 -1.461 8.265 8.265 62 HA THR 11 HA THR 281 -1.074 9.629 9.629 63 HB THR 11 HB THR 281 0.073 11.294 11.294 64 HG1 THR 11 HG1 THR 281 -0.393 10.861 10.861 65 1HG2 THR 11 1HG2 THR 281 -2.791 10.542 10.542 66 2HG2 THR 11 2HG2 THR 281 -2.009 12.073 12.073 67 3HG2 THR 11 3HG2 THR 281 -2.205 11.621 11.621 68 H SER 12 H SER 282 0.868 7.433 7.433 69 HA SER 12 HA SER 282 3.382 8.501 8.501 70 1HB SER 12 1HB SER 282 3.108 6.298 6.298 71 2HB SER 12 2HB SER 282 4.540 7.272 7.272 72 HG SER 12 HG SER 282 3.506 7.965 7.965 73 H TYR 13 H TYR 283 1.298 5.815 5.815 74 HA TYR 13 HA TYR 283 1.293 3.808 3.808 75 1HB TYR 13 1HB TYR 283 2.772 5.500 5.500 76 2HB TYR 13 2HB TYR 283 2.154 3.874 3.874 77 HD1 TYR 13 HD2 TYR 283 -0.407 3.585 3.585 78 HD2 TYR 13 HD1 TYR 283 1.398 7.213 7.213 79 HE1 TYR 13 HE2 TYR 283 -2.681 4.547 4.547 80 HE2 TYR 13 HE1 TYR 283 -0.875 8.186 8.186 81 HH TYR 13 HH TYR 283 -3.882 6.310 6.310 82 H ASN 14 H ASN 284 3.058 3.571 3.571 83 HA ASN 14 HA ASN 284 5.759 3.012 3.012 84 1HB ASN 14 1HB ASN 284 6.367 3.063 3.063 85 2HB ASN 14 2HB ASN 284 5.309 4.432 4.432 86 1HD2 ASN 14 1HD2 ASN 284 6.044 2.417 2.417 87 2HD2 ASN 14 2HD2 ASN 284 4.627 2.248 2.248 88 H CYS 15 H CYS 285 4.015 1.116 1.116 89 HA CYS 15 HA CYS 285 4.639 -1.435 -1.435 90 1HB CYS 15 1HB CYS 285 2.449 -0.837 -0.837 91 2HB CYS 15 2HB CYS 285 2.697 -2.337 -2.337 92 H CYS 16 H CYS 286 5.286 -3.090 -3.090 93 HA CYS 16 HA CYS 286 6.577 -2.374 -2.374 94 1HB CYS 16 1HB CYS 286 5.861 -4.953 -4.953 95 2HB CYS 16 2HB CYS 286 6.210 -4.989 -4.989 96 H ARG 17 H ARG 287 3.304 -3.563 -3.563 97 HA ARG 17 HA ARG 287 2.818 -2.817 -2.817 98 1HB ARG 17 1HB ARG 287 1.247 -4.657 -4.657 99 2HB ARG 17 2HB ARG 287 0.806 -4.205 -4.205 100 1HG ARG 17 1HG ARG 287 2.767 -5.331 -5.331 101 2HG ARG 17 2HG ARG 287 3.342 -5.681 -5.681 102 1HD ARG 17 1HD ARG 287 2.220 -7.646 -7.646 103 2HD ARG 17 2HD ARG 287 1.331 -7.043 -7.043 104 HE ARG 17 HE ARG 287 0.272 -5.826 -5.826 105 1HH1 ARG 17 1HH1 ARG 287 0.356 -9.089 -9.089 106 2HH1 ARG 17 2HH1 ARG 287 -1.074 -9.487 -9.487 107 1HH2 ARG 17 1HH2 ARG 287 -1.956 -6.308 -6.308 108 2HH2 ARG 17 2HH2 ARG 287 -2.407 -7.887 -7.887 109 H SER 18 H SER 288 2.839 -0.821 -0.821 110 HA SER 18 HA SER 288 1.800 1.139 1.139 111 1HB SER 18 1HB SER 288 1.222 1.275 1.275 112 2HB SER 18 2HB SER 288 -0.233 0.301 0.301 113 HG SER 18 HG SER 288 -0.724 2.612 2.612 114 H CYS 19 H CYS 289 -0.229 2.033 2.033 115 HA CYS 19 HA CYS 289 -1.319 0.252 0.252 116 1HB CYS 19 1HB CYS 289 0.340 2.081 2.081 117 2HB CYS 19 2HB CYS 289 -0.861 3.259 3.259 118 H ASN 20 H ASN 290 -3.380 -0.115 -0.115 119 HA ASN 20 HA ASN 290 -5.301 1.281 1.281 120 1HB ASN 20 1HB ASN 290 -5.476 -1.187 -1.187 121 2HB ASN 20 2HB ASN 290 -5.882 -0.761 -0.761 122 1HD2 ASN 20 1HD2 ASN 290 -8.049 -0.766 -0.766 123 2HD2 ASN 20 2HD2 ASN 290 -9.229 -0.372 -0.372 124 HA HYP 21 HA HYP 291 -5.663 4.648 4.648 125 1HB HYP 21 1HB HYP 291 -8.021 5.285 5.285 126 2HB HYP 21 2HB HYP 291 -6.665 6.315 6.315 127 HG HYP 21 HG HYP 291 -6.657 5.317 5.317 128 HD1 HYP 21 HD1 HYP 291 -4.295 5.014 5.014 129 1HD2 HYP 21 1HD2 HYP 291 -5.409 2.925 2.925 130 2HD2 HYP 21 2HD2 HYP 291 -7.173 2.994 2.994 131 H TYR 22 H TYR 292 -8.659 2.981 2.981 132 HA TYR 22 HA TYR 292 -10.313 3.716 3.716 133 1HB TYR 22 1HB TYR 292 -10.331 1.061 1.061 134 2HB TYR 22 2HB TYR 292 -11.671 1.802 1.802 135 HD1 TYR 22 HD1 TYR 292 -12.163 4.382 4.382 136 HD2 TYR 22 HD2 TYR 292 -10.459 1.133 1.133 137 HE1 TYR 22 HE1 TYR 292 -12.858 5.534 5.534 138 HE2 TYR 22 HE2 TYR 292 -11.130 2.289 2.289 139 HH TYR 22 HH TYR 292 -12.181 3.939 3.939 140 H THR 23 H THR 293 -8.098 0.947 0.947 141 HA THR 23 HA THR 293 -9.007 -0.016 -0.016 142 HB THR 23 HB THR 293 -7.547 -1.992 -1.992 143 HG1 THR 23 HG1 THR 293 -6.954 -2.348 -2.348 144 1HG2 THR 23 1HG2 THR 293 -9.792 -1.394 -1.394 145 2HG2 THR 23 2HG2 THR 293 -9.159 -3.001 -3.001 146 3HG2 THR 23 3HG2 THR 293 -9.991 -2.048 -2.048 147 H LYS 24 H LYS 294 -6.348 1.789 1.789 148 HA LYS 24 HA LYS 294 -4.207 2.268 2.268 149 1HB LYS 24 1HB LYS 294 -5.392 1.413 1.413 150 2HB LYS 24 2HB LYS 294 -3.678 1.837 1.837 151 1HG LYS 24 1HG LYS 294 -4.845 3.719 3.719 152 2HG LYS 24 2HG LYS 294 -4.349 4.090 4.090 153 1HD LYS 24 1HD LYS 294 -6.548 4.989 4.989 154 2HD LYS 24 2HD LYS 294 -6.662 3.659 3.659 155 1HE LYS 24 1HE LYS 294 -7.408 2.152 2.152 156 2HE LYS 24 2HE LYS 294 -7.363 3.527 3.527 157 1HZ LYS 24 1HZ LYS 294 -9.079 3.393 3.393 158 2HZ LYS 24 2HZ LYS 294 -9.569 3.234 3.234 159 3HZ LYS 24 3HZ LYS 294 -9.041 4.551 4.551 160 H ARG 25 H ARG 295 -4.723 -0.288 -0.288 161 HA ARG 25 HA ARG 295 -2.514 -1.879 -1.879 162 1HB ARG 25 1HB ARG 295 -5.162 -2.992 -2.992 163 2HB ARG 25 2HB ARG 295 -3.732 -3.954 -3.954 164 1HG ARG 25 1HG ARG 295 -5.271 -2.180 -2.180 165 2HG ARG 25 2HG ARG 295 -5.388 -3.946 -3.946 166 1HD ARG 25 1HD ARG 295 -3.007 -4.123 -4.123 167 2HD ARG 25 2HD ARG 295 -2.918 -2.358 -2.358 168 HE ARG 25 HE ARG 295 -3.858 -4.153 -4.153 169 1HH1 ARG 25 1HH1 ARG 295 -4.611 -0.919 -0.919 170 2HH1 ARG 25 2HH1 ARG 295 -5.124 -0.460 -0.460 171 1HH2 ARG 25 1HH2 ARG 295 -4.323 -3.311 -3.311 172 2HH2 ARG 25 2HH2 ARG 295 -4.959 -1.799 -1.799 173 H CYS 26 H CYS 296 -1.183 -2.808 -2.808 174 HA CYS 26 HA CYS 296 -0.722 -1.908 -1.908 175 1HB CYS 26 1HB CYS 296 0.401 -4.290 -4.290 176 2HB CYS 26 2HB CYS 296 1.045 -3.634 -3.634 177 H TYR 27 H TYR 297 -1.167 -2.708 -2.708 178 HA TYR 27 HA TYR 297 -3.129 -4.726 -4.726 179 1HB TYR 27 1HB TYR 297 -1.318 -3.354 -3.354 180 2HB TYR 27 2HB TYR 297 -2.665 -4.431 -4.431 181 HD1 TYR 27 HD2 TYR 297 -5.061 -3.663 -3.663 182 HD2 TYR 27 HD1 TYR 297 -1.608 -1.117 -1.117 183 HE1 TYR 27 HE2 TYR 297 -6.579 -1.705 -1.705 184 HE2 TYR 27 HE1 TYR 297 -3.125 0.836 0.836 185 HH TYR 27 HH TYR 297 -6.767 0.468 0.468 186 1H NH2 28 1H1 TYR 297 -2.829 -6.735 -6.735 187 2H NH2 28 2H1 TYR 297 -1.399 -7.549 -7.549 Start of MODEL 12 1 1H CYS 1 1H CYS 298 10.682 -1.096 -1.096 2 2H CYS 1 2H CYS 298 10.585 -1.468 -1.468 3 3H CYS 1 3H CYS 298 10.722 -2.531 -2.531 4 HA CYS 1 HA CYS 298 8.359 -0.825 -0.825 5 1HB CYS 1 1HB CYS 298 7.378 -2.073 -2.073 6 2HB CYS 1 2HB CYS 298 8.980 -1.541 -1.541 7 H LYS 2 H LYS 299 6.780 -1.282 -1.282 8 HA LYS 2 HA LYS 299 6.663 -3.375 -3.375 9 1HB LYS 2 1HB LYS 299 4.687 -1.320 -1.320 10 2HB LYS 2 2HB LYS 299 4.239 -2.606 -2.606 11 1HG LYS 2 1HG LYS 299 6.044 -1.911 -1.911 12 2HG LYS 2 2HG LYS 299 6.524 -0.642 -0.642 13 1HD LYS 2 1HD LYS 299 4.331 0.427 0.427 14 2HD LYS 2 2HD LYS 299 3.808 -0.862 -0.862 15 1HE LYS 2 1HE LYS 299 5.372 -0.193 -0.193 16 2HE LYS 2 2HE LYS 299 6.243 0.862 0.862 17 1HZ LYS 2 1HZ LYS 299 3.488 1.311 1.311 18 2HZ LYS 2 2HZ LYS 299 4.649 2.116 2.116 19 3HZ LYS 2 3HZ LYS 299 4.220 2.198 2.198 20 H SER 3 H SER 300 6.400 -5.315 -5.315 21 HA SER 3 HA SER 300 5.442 -6.881 -6.881 22 1HB SER 3 1HB SER 300 4.679 -8.466 -8.466 23 2HB SER 3 2HB SER 300 6.284 -7.789 -7.789 24 HG SER 3 HG SER 300 4.929 -7.825 -7.825 25 HA HYP 4 HA HYP 301 1.223 -5.831 -5.831 26 1HB HYP 4 1HB HYP 301 1.343 -8.795 -8.795 27 2HB HYP 4 2HB HYP 301 0.586 -7.490 -7.490 28 HG HYP 4 HG HYP 301 2.917 -8.298 -8.298 29 HD1 HYP 4 HD1 HYP 301 3.709 -6.110 -6.110 30 1HD2 HYP 4 1HD2 HYP 301 4.572 -6.732 -6.732 31 2HD2 HYP 4 2HD2 HYP 301 4.162 -8.380 -8.380 32 H GLY 5 H GLY 302 -0.409 -5.678 -5.678 33 1HA GLY 5 1HA GLY 302 -2.166 -6.534 -6.534 34 2HA GLY 5 2HA GLY 302 -0.957 -7.627 -7.627 35 H SER 6 H SER 303 1.090 -5.635 -5.635 36 HA SER 6 HA SER 303 0.720 -4.780 -4.780 37 1HB SER 6 1HB SER 303 2.718 -3.942 -3.942 38 2HB SER 6 2HB SER 303 2.728 -3.304 -3.304 39 HG SER 6 HG SER 303 4.117 -5.234 -5.234 40 H SER 7 H SER 304 0.152 -3.070 -3.070 41 HA SER 7 HA SER 304 -1.495 -1.043 -1.043 42 1HB SER 7 1HB SER 304 0.229 -1.086 -1.086 43 2HB SER 7 2HB SER 304 -1.085 0.058 0.058 44 HG SER 7 HG SER 304 -1.820 -1.776 -1.776 45 H CYS 8 H CYS 305 -1.157 0.478 0.478 46 HA CYS 8 HA CYS 305 1.232 2.164 2.164 47 1HB CYS 8 1HB CYS 305 0.830 2.352 2.352 48 2HB CYS 8 2HB CYS 305 1.145 0.677 0.677 49 H SER 9 H SER 306 0.494 4.174 4.174 50 HA SER 9 HA SER 306 -2.041 5.239 5.239 51 1HB SER 9 1HB SER 306 -0.214 6.225 6.225 52 2HB SER 9 2HB SER 306 0.690 6.549 6.549 53 HG SER 9 HG SER 306 -0.412 8.502 8.502 54 HA HYP 10 HA HYP 307 -2.858 6.750 6.750 55 1HB HYP 10 1HB HYP 307 -4.288 9.048 9.048 56 2HB HYP 10 2HB HYP 307 -5.002 7.487 7.487 57 HG HYP 10 HG HYP 307 -4.406 8.604 8.604 58 HD1 HYP 10 HD1 HYP 307 -6.329 7.274 7.274 59 1HD2 HYP 10 1HD2 HYP 307 -4.368 5.584 5.584 60 2HD2 HYP 10 2HD2 HYP 307 -3.580 6.531 6.531 61 H THR 11 H THR 308 -1.073 8.389 8.389 62 HA THR 11 HA THR 308 -0.066 10.359 10.359 63 HB THR 11 HB THR 308 1.359 11.111 11.111 64 HG1 THR 11 HG1 THR 308 0.880 10.279 10.279 65 1HG2 THR 11 1HG2 THR 308 -1.605 10.946 10.946 66 2HG2 THR 11 2HG2 THR 308 -0.444 12.078 12.078 67 3HG2 THR 11 3HG2 THR 308 -0.839 12.184 12.184 68 H SER 12 H SER 309 0.753 7.213 7.213 69 HA SER 12 HA SER 309 3.460 7.395 7.395 70 1HB SER 12 1HB SER 309 4.440 6.133 6.133 71 2HB SER 12 2HB SER 309 3.712 7.621 7.621 72 HG SER 12 HG SER 309 3.284 5.758 5.758 73 H TYR 13 H TYR 310 2.913 6.328 6.328 74 HA TYR 13 HA TYR 310 1.697 3.693 3.693 75 1HB TYR 13 1HB TYR 310 2.980 5.456 5.456 76 2HB TYR 13 2HB TYR 310 2.186 3.907 3.907 77 HD1 TYR 13 HD1 TYR 310 1.663 7.471 7.471 78 HD2 TYR 13 HD2 TYR 310 -0.229 3.652 3.652 79 HE1 TYR 13 HE1 TYR 310 -0.591 8.505 8.505 80 HE2 TYR 13 HE2 TYR 310 -2.480 4.701 4.701 81 HH TYR 13 HH TYR 310 -3.626 6.376 6.376 82 H ASN 14 H ASN 311 3.550 3.425 3.425 83 HA ASN 14 HA ASN 311 6.183 2.823 2.823 84 1HB ASN 14 1HB ASN 311 6.871 2.839 2.839 85 2HB ASN 14 2HB ASN 311 5.945 4.295 4.295 86 1HD2 ASN 14 1HD2 ASN 311 6.534 2.993 2.993 87 2HD2 ASN 14 2HD2 ASN 311 5.093 2.741 2.741 88 H CYS 15 H CYS 312 4.512 1.055 1.055 89 HA CYS 15 HA CYS 312 4.651 -1.453 -1.453 90 1HB CYS 15 1HB CYS 312 2.561 -0.444 -0.444 91 2HB CYS 15 2HB CYS 312 2.570 -2.048 -2.048 92 H CYS 16 H CYS 313 5.052 -3.274 -3.274 93 HA CYS 16 HA CYS 313 6.638 -3.273 -3.273 94 1HB CYS 16 1HB CYS 313 5.160 -5.572 -5.572 95 2HB CYS 16 2HB CYS 313 6.491 -5.638 -5.638 96 H ARG 17 H ARG 314 3.208 -4.245 -4.245 97 HA ARG 17 HA ARG 314 2.721 -2.968 -2.968 98 1HB ARG 17 1HB ARG 314 1.047 -5.041 -5.041 99 2HB ARG 17 2HB ARG 314 0.546 -4.156 -4.156 100 1HG ARG 17 1HG ARG 314 1.831 -5.411 -5.411 101 2HG ARG 17 2HG ARG 314 3.142 -5.559 -5.559 102 1HD ARG 17 1HD ARG 314 2.158 -7.745 -7.745 103 2HD ARG 17 2HD ARG 314 1.795 -7.221 -7.221 104 HE ARG 17 HE ARG 314 -0.317 -6.608 -6.608 105 1HH1 ARG 17 1HH2 ARG 314 0.784 -8.955 -8.955 106 2HH1 ARG 17 2HH2 ARG 314 -0.561 -9.895 -9.895 107 1HH2 ARG 17 1HH1 ARG 314 -2.198 -7.862 -7.862 108 2HH2 ARG 17 2HH1 ARG 314 -2.279 -9.263 -9.263 109 H SER 18 H SER 315 1.843 -1.160 -1.160 110 HA SER 18 HA SER 315 1.569 0.773 0.773 111 1HB SER 18 1HB SER 315 -0.441 1.624 1.624 112 2HB SER 18 2HB SER 315 0.845 1.034 1.034 113 HG SER 18 HG SER 315 -1.305 0.230 0.230 114 H CYS 19 H CYS 316 0.298 1.813 1.813 115 HA CYS 19 HA CYS 316 -1.127 0.268 0.268 116 1HB CYS 19 1HB CYS 316 0.171 2.407 2.407 117 2HB CYS 19 2HB CYS 316 -1.134 3.289 3.289 118 H ASN 20 H ASN 317 -3.255 -0.133 -0.133 119 HA ASN 20 HA ASN 317 -5.258 1.241 1.241 120 1HB ASN 20 1HB ASN 317 -5.583 -1.182 -1.182 121 2HB ASN 20 2HB ASN 317 -5.680 -0.828 -0.828 122 1HD2 ASN 20 1HD2 ASN 317 -7.875 -1.513 -1.513 123 2HD2 ASN 20 2HD2 ASN 317 -9.139 -0.683 -0.683 124 HA HYP 21 HA HYP 318 -5.361 4.235 4.235 125 1HB HYP 21 1HB HYP 318 -7.424 5.369 5.369 126 2HB HYP 21 2HB HYP 318 -6.155 6.220 6.220 127 HG HYP 21 HG HYP 318 -5.674 5.723 5.723 128 HD1 HYP 21 HD1 HYP 318 -3.413 5.031 5.031 129 1HD2 HYP 21 1HD2 HYP 318 -4.798 3.207 3.207 130 2HD2 HYP 21 2HD2 HYP 318 -6.552 3.461 3.461 131 H TYR 22 H TYR 319 -8.171 2.853 2.853 132 HA TYR 22 HA TYR 319 -10.153 3.528 3.528 133 1HB TYR 22 1HB TYR 319 -10.057 1.152 1.152 134 2HB TYR 22 2HB TYR 319 -11.497 1.740 1.740 135 HD1 TYR 22 HD1 TYR 319 -12.086 4.304 4.304 136 HD2 TYR 22 HD2 TYR 319 -9.601 1.899 1.899 137 HE1 TYR 22 HE1 TYR 319 -12.387 5.994 5.994 138 HE2 TYR 22 HE2 TYR 319 -9.903 3.591 3.591 139 HH TYR 22 HH TYR 319 -10.748 5.477 5.477 140 H THR 23 H THR 320 -8.234 0.558 0.558 141 HA THR 23 HA THR 320 -9.260 -0.076 -0.076 142 HB THR 23 HB THR 320 -8.740 -2.400 -2.400 143 HG1 THR 23 HG1 THR 320 -7.824 -3.168 -3.168 144 1HG2 THR 23 1HG2 THR 320 -10.205 -1.389 -1.389 145 2HG2 THR 23 2HG2 THR 320 -10.174 -3.058 -3.058 146 3HG2 THR 23 3HG2 THR 320 -10.897 -1.777 -1.777 147 H LYS 24 H LYS 321 -6.736 1.413 1.413 148 HA LYS 24 HA LYS 321 -4.780 2.149 2.149 149 1HB LYS 24 1HB LYS 321 -5.839 0.935 0.935 150 2HB LYS 24 2HB LYS 321 -4.476 2.059 2.059 151 1HG LYS 24 1HG LYS 321 -7.127 2.846 2.846 152 2HG LYS 24 2HG LYS 321 -6.884 2.911 2.911 153 1HD LYS 24 1HD LYS 321 -4.827 4.324 4.324 154 2HD LYS 24 2HD LYS 321 -5.348 4.409 4.409 155 1HE LYS 24 1HE LYS 321 -7.238 5.176 5.176 156 2HE LYS 24 2HE LYS 321 -6.032 6.331 6.331 157 1HZ LYS 24 1HZ LYS 321 -8.062 5.088 5.088 158 2HZ LYS 24 2HZ LYS 321 -8.104 6.508 6.508 159 3HZ LYS 24 3HZ LYS 321 -7.047 6.059 6.059 160 H ARG 25 H ARG 322 -4.755 -0.386 -0.386 161 HA ARG 25 HA ARG 322 -2.499 -1.831 -1.831 162 1HB ARG 25 1HB ARG 322 -4.868 -3.021 -3.021 163 2HB ARG 25 2HB ARG 322 -3.409 -3.912 -3.912 164 1HG ARG 25 1HG ARG 322 -3.951 -3.249 -3.249 165 2HG ARG 25 2HG ARG 322 -5.533 -2.731 -2.731 166 1HD ARG 25 1HD ARG 322 -4.329 -5.517 -5.517 167 2HD ARG 25 2HD ARG 322 -5.766 -4.999 -4.999 168 HE ARG 25 HE ARG 322 -5.584 -5.413 -5.413 169 1HH1 ARG 25 1HH2 ARG 322 -7.703 -4.696 -4.696 170 2HH1 ARG 25 2HH2 ARG 322 -9.064 -4.948 -4.948 171 1HH2 ARG 25 1HH1 ARG 322 -7.481 -5.811 -5.811 172 2HH2 ARG 25 2HH1 ARG 322 -8.936 -5.584 -5.584 173 H CYS 26 H CYS 323 -1.004 -2.644 -2.644 174 HA CYS 26 HA CYS 323 -0.629 -1.700 -1.700 175 1HB CYS 26 1HB CYS 323 0.650 -4.040 -4.040 176 2HB CYS 26 2HB CYS 323 1.207 -3.352 -3.352 177 H TYR 27 H TYR 324 -1.227 -2.615 -2.615 178 HA TYR 27 HA TYR 324 -3.033 -4.808 -4.808 179 1HB TYR 27 1HB TYR 324 -1.664 -3.056 -3.056 180 2HB TYR 27 2HB TYR 324 -2.571 -4.495 -4.495 181 HD1 TYR 27 HD2 TYR 324 -4.924 -4.564 -4.564 182 HD2 TYR 27 HD1 TYR 324 -2.887 -1.154 -1.154 183 HE1 TYR 27 HE2 TYR 324 -7.104 -3.359 -3.359 184 HE2 TYR 27 HE1 TYR 324 -5.069 0.050 0.050 185 HH TYR 27 HH TYR 324 -8.167 -1.533 -1.533 186 1H NH2 28 1H1 TYR 324 -2.659 -6.822 -6.822 187 2H NH2 28 2H1 TYR 324 -1.171 -7.519 -7.519 Start of MODEL 13 1 1H CYS 1 1H CYS 325 10.783 -2.635 -2.635 2 2H CYS 1 2H CYS 325 10.807 -1.228 -1.228 3 3H CYS 1 3H CYS 325 10.763 -1.503 -1.503 4 HA CYS 1 HA CYS 325 8.570 -0.758 -0.758 5 1HB CYS 1 1HB CYS 325 7.317 -1.906 -1.906 6 2HB CYS 1 2HB CYS 325 8.874 -1.409 -1.409 7 H LYS 2 H LYS 326 6.791 -1.349 -1.349 8 HA LYS 2 HA LYS 326 6.866 -3.327 -3.327 9 1HB LYS 2 1HB LYS 326 4.544 -1.656 -1.656 10 2HB LYS 2 2HB LYS 326 4.556 -2.635 -2.635 11 1HG LYS 2 1HG LYS 326 6.271 -1.199 -1.199 12 2HG LYS 2 2HG LYS 326 6.325 -0.242 -0.242 13 1HD LYS 2 1HD LYS 326 3.945 0.366 0.366 14 2HD LYS 2 2HD LYS 326 3.908 -0.575 -0.575 15 1HE LYS 2 1HE LYS 326 5.540 0.888 0.888 16 2HE LYS 2 2HE LYS 326 5.810 1.743 1.743 17 1HZ LYS 2 1HZ LYS 326 3.297 1.788 1.788 18 2HZ LYS 2 2HZ LYS 326 4.254 2.930 2.930 19 3HZ LYS 2 3HZ LYS 326 3.524 2.508 2.508 20 H SER 3 H SER 327 6.091 -5.271 -5.271 21 HA SER 3 HA SER 327 5.331 -6.803 -6.803 22 1HB SER 3 1HB SER 327 4.636 -8.461 -8.461 23 2HB SER 3 2HB SER 327 6.341 -7.990 -7.990 24 HG SER 3 HG SER 327 5.541 -7.936 -7.936 25 HA HYP 4 HA HYP 328 1.136 -5.721 -5.721 26 1HB HYP 4 1HB HYP 328 1.137 -8.649 -8.649 27 2HB HYP 4 2HB HYP 328 0.334 -7.278 -7.278 28 HG HYP 4 HG HYP 328 2.688 -8.014 -8.014 29 HD1 HYP 4 HD1 HYP 328 3.402 -5.755 -5.755 30 1HD2 HYP 4 1HD2 HYP 328 4.408 -6.689 -6.689 31 2HD2 HYP 4 2HD2 HYP 328 3.919 -8.344 -8.344 32 H GLY 5 H GLY 329 -0.650 -5.723 -5.723 33 1HA GLY 5 1HA GLY 329 -2.229 -6.516 -6.516 34 2HA GLY 5 2HA GLY 329 -0.983 -7.632 -7.632 35 H SER 6 H SER 330 1.143 -5.749 -5.749 36 HA SER 6 HA SER 330 0.888 -4.826 -4.826 37 1HB SER 6 1HB SER 330 2.787 -3.879 -3.879 38 2HB SER 6 2HB SER 330 2.880 -3.386 -3.386 39 HG SER 6 HG SER 330 4.360 -5.184 -5.184 40 H SER 7 H SER 331 0.729 -2.846 -2.846 41 HA SER 7 HA SER 331 -1.361 -1.151 -1.151 42 1HB SER 7 1HB SER 331 -1.145 -0.079 -0.079 43 2HB SER 7 2HB SER 331 -1.338 -1.838 -1.838 44 HG SER 7 HG SER 331 0.422 -1.056 -1.056 45 H CYS 8 H CYS 332 -1.378 0.832 0.832 46 HA CYS 8 HA CYS 332 0.916 2.553 2.553 47 1HB CYS 8 1HB CYS 332 0.831 2.669 2.669 48 2HB CYS 8 2HB CYS 332 1.275 1.056 1.056 49 H SER 9 H SER 333 0.463 4.542 4.542 50 HA SER 9 HA SER 333 -2.218 5.688 5.688 51 1HB SER 9 1HB SER 333 -0.458 6.693 6.693 52 2HB SER 9 2HB SER 333 0.639 6.743 6.743 53 HG SER 9 HG SER 333 -0.284 8.871 8.871 54 HA HYP 10 HA HYP 334 -2.481 6.359 6.359 55 1HB HYP 10 1HB HYP 334 -3.237 9.187 9.187 56 2HB HYP 10 2HB HYP 334 -3.989 8.118 8.118 57 HG HYP 10 HG HYP 334 -5.136 8.383 8.383 58 HD1 HYP 10 HD1 HYP 334 -5.767 6.050 6.050 59 1HD2 HYP 10 1HD2 HYP 334 -3.943 6.333 6.333 60 2HD2 HYP 10 2HD2 HYP 334 -3.338 7.992 7.992 61 H THR 11 H THR 335 -1.090 9.035 9.035 62 HA THR 11 HA THR 335 0.614 10.024 10.024 63 HB THR 11 HB THR 335 1.731 11.233 11.233 64 HG1 THR 11 HG1 THR 335 0.674 11.050 11.050 65 1HG2 THR 11 1HG2 THR 335 -1.259 11.497 11.497 66 2HG2 THR 11 2HG2 THR 335 -0.131 12.679 12.679 67 3HG2 THR 11 3HG2 THR 335 -0.070 12.295 12.295 68 H SER 12 H SER 336 0.915 7.280 7.280 69 HA SER 12 HA SER 336 3.724 6.931 6.931 70 1HB SER 12 1HB SER 336 4.079 5.559 5.559 71 2HB SER 12 2HB SER 336 3.250 7.011 7.011 72 HG SER 12 HG SER 336 2.395 5.040 5.040 73 H TYR 13 H TYR 337 2.655 6.473 6.473 74 HA TYR 13 HA TYR 337 1.583 3.905 3.905 75 1HB TYR 13 1HB TYR 337 2.795 6.042 6.042 76 2HB TYR 13 2HB TYR 337 2.312 4.469 4.469 77 HD1 TYR 13 HD2 TYR 337 -0.179 3.730 3.730 78 HD2 TYR 13 HD1 TYR 337 1.299 7.732 7.732 79 HE1 TYR 13 HE2 TYR 337 -2.520 4.614 4.614 80 HE2 TYR 13 HE1 TYR 337 -1.048 8.617 8.617 81 HH TYR 13 HH TYR 337 -3.829 6.414 6.414 82 H ASN 14 H ASN 338 3.780 3.564 3.564 83 HA ASN 14 HA ASN 338 6.141 2.856 2.856 84 1HB ASN 14 1HB ASN 338 7.324 3.012 3.012 85 2HB ASN 14 2HB ASN 338 6.391 4.477 4.477 86 1HD2 ASN 14 1HD2 ASN 338 7.436 3.851 3.851 87 2HD2 ASN 14 2HD2 ASN 338 6.225 3.630 3.630 88 H CYS 15 H CYS 339 3.979 1.126 1.126 89 HA CYS 15 HA CYS 339 4.809 -1.348 -1.348 90 1HB CYS 15 1HB CYS 339 2.314 -0.638 -0.638 91 2HB CYS 15 2HB CYS 339 2.626 -2.186 -2.186 92 H CYS 16 H CYS 340 4.814 -3.270 -3.270 93 HA CYS 16 HA CYS 340 6.288 -3.026 -3.026 94 1HB CYS 16 1HB CYS 340 4.927 -5.453 -5.453 95 2HB CYS 16 2HB CYS 340 6.160 -5.483 -5.483 96 H ARG 17 H ARG 341 2.923 -3.850 -3.850 97 HA ARG 17 HA ARG 341 2.582 -3.284 -3.284 98 1HB ARG 17 1HB ARG 341 0.723 -4.692 -4.692 99 2HB ARG 17 2HB ARG 341 0.406 -4.378 -4.378 100 1HG ARG 17 1HG ARG 341 2.237 -5.892 -5.892 101 2HG ARG 17 2HG ARG 341 2.575 -6.197 -6.197 102 1HD ARG 17 1HD ARG 341 0.295 -7.054 -7.054 103 2HD ARG 17 2HD ARG 341 -0.085 -6.707 -6.707 104 HE ARG 17 HE ARG 341 1.795 -8.350 -8.350 105 1HH1 ARG 17 1HH2 ARG 341 -0.236 -8.879 -8.879 106 2HH1 ARG 17 2HH2 ARG 341 0.019 -10.504 -10.504 107 1HH2 ARG 17 1HH1 ARG 341 2.023 -10.525 -10.525 108 2HH2 ARG 17 2HH1 ARG 341 1.296 -11.435 -11.435 109 H SER 18 H SER 342 2.842 -1.298 -1.298 110 HA SER 18 HA SER 342 2.172 0.732 0.732 111 1HB SER 18 1HB SER 342 1.458 0.952 0.952 112 2HB SER 18 2HB SER 342 -0.189 0.765 0.765 113 HG SER 18 HG SER 342 0.499 3.056 3.056 114 H CYS 19 H CYS 343 0.039 1.868 1.868 115 HA CYS 19 HA CYS 343 -0.967 0.220 0.220 116 1HB CYS 19 1HB CYS 343 0.443 2.196 2.196 117 2HB CYS 19 2HB CYS 343 -0.700 3.223 3.223 118 H ASN 20 H ASN 344 -3.206 -0.053 -0.053 119 HA ASN 20 HA ASN 344 -4.981 1.257 1.257 120 1HB ASN 20 1HB ASN 344 -5.046 -1.205 -1.205 121 2HB ASN 20 2HB ASN 344 -5.741 -0.948 -0.948 122 1HD2 ASN 20 1HD2 ASN 344 -7.578 -2.122 -2.122 123 2HD2 ASN 20 2HD2 ASN 344 -8.739 -1.351 -1.351 124 HA HYP 21 HA HYP 345 -5.956 4.237 4.237 125 1HB HYP 21 1HB HYP 345 -7.879 4.991 4.991 126 2HB HYP 21 2HB HYP 345 -6.897 6.047 6.047 127 HG HYP 21 HG HYP 345 -6.007 5.610 5.610 128 HD1 HYP 21 HD1 HYP 345 -3.742 5.375 5.375 129 1HD2 HYP 21 1HD2 HYP 345 -4.649 3.233 3.233 130 2HD2 HYP 21 2HD2 HYP 345 -6.372 3.169 3.169 131 H TYR 22 H TYR 346 -8.351 2.417 2.417 132 HA TYR 22 HA TYR 346 -10.607 2.697 2.697 133 1HB TYR 22 1HB TYR 346 -9.768 0.538 0.538 134 2HB TYR 22 2HB TYR 346 -11.323 0.531 0.531 135 HD1 TYR 22 HD2 TYR 346 -13.008 2.266 2.266 136 HD2 TYR 22 HD1 TYR 346 -9.299 2.167 2.167 137 HE1 TYR 22 HE2 TYR 346 -13.918 3.990 3.990 138 HE2 TYR 22 HE1 TYR 346 -10.204 3.902 3.902 139 HH TYR 22 HH TYR 346 -13.604 5.272 5.272 140 H THR 23 H THR 347 -7.897 0.492 0.492 141 HA THR 23 HA THR 347 -9.216 -0.796 -0.796 142 HB THR 23 HB THR 347 -7.608 -2.676 -2.676 143 HG1 THR 23 HG1 THR 347 -6.453 -2.712 -2.712 144 1HG2 THR 23 1HG2 THR 347 -9.356 -2.005 -2.005 145 2HG2 THR 23 2HG2 THR 347 -8.691 -3.598 -3.598 146 3HG2 THR 23 3HG2 THR 347 -9.856 -2.830 -2.830 147 H LYS 24 H LYS 348 -6.917 1.510 1.510 148 HA LYS 24 HA LYS 348 -4.836 2.162 2.162 149 1HB LYS 24 1HB LYS 348 -6.173 1.233 1.233 150 2HB LYS 24 2HB LYS 348 -4.616 2.080 2.080 151 1HG LYS 24 1HG LYS 348 -7.157 3.209 3.209 152 2HG LYS 24 2HG LYS 348 -6.638 3.537 3.537 153 1HD LYS 24 1HD LYS 348 -4.591 4.572 4.572 154 2HD LYS 24 2HD LYS 348 -5.008 4.159 4.159 155 1HE LYS 24 1HE LYS 348 -6.875 5.828 5.828 156 2HE LYS 24 2HE LYS 348 -5.494 6.571 6.571 157 1HZ LYS 24 1HZ LYS 348 -7.592 5.069 5.069 158 2HZ LYS 24 2HZ LYS 348 -7.462 6.554 6.554 159 3HZ LYS 24 3HZ LYS 348 -6.430 5.695 5.695 160 H ARG 25 H ARG 349 -4.900 -0.398 -0.398 161 HA ARG 25 HA ARG 349 -2.491 -1.568 -1.568 162 1HB ARG 25 1HB ARG 349 -5.080 -3.028 -3.028 163 2HB ARG 25 2HB ARG 349 -3.520 -3.864 -3.864 164 1HG ARG 25 1HG ARG 349 -3.182 -3.160 -3.160 165 2HG ARG 25 2HG ARG 349 -4.571 -2.062 -2.062 166 1HD ARG 25 1HD ARG 349 -6.062 -4.039 -4.039 167 2HD ARG 25 2HD ARG 349 -4.652 -5.092 -5.092 168 HE ARG 25 HE ARG 349 -4.560 -4.449 -4.449 169 1HH1 ARG 25 1HH2 ARG 349 -7.234 -2.785 -2.785 170 2HH1 ARG 25 2HH2 ARG 349 -7.948 -2.446 -2.446 171 1HH2 ARG 25 1HH1 ARG 349 -5.672 -3.984 -3.984 172 2HH2 ARG 25 2HH1 ARG 349 -7.071 -3.119 -3.119 173 H CYS 26 H CYS 350 -1.143 -2.574 -2.574 174 HA CYS 26 HA CYS 350 -0.729 -1.670 -1.670 175 1HB CYS 26 1HB CYS 350 0.413 -4.148 -4.148 176 2HB CYS 26 2HB CYS 350 1.002 -3.381 -3.381 177 H TYR 27 H TYR 351 -1.263 -2.424 -2.424 178 HA TYR 27 HA TYR 351 -3.337 -4.211 -4.211 179 1HB TYR 27 1HB TYR 351 -1.250 -2.947 -2.947 180 2HB TYR 27 2HB TYR 351 -2.427 -4.106 -4.106 181 HD1 TYR 27 HD1 TYR 351 -4.947 -3.591 -3.591 182 HD2 TYR 27 HD2 TYR 351 -1.747 -0.680 -0.680 183 HE1 TYR 27 HE1 TYR 351 -6.560 -1.773 -1.773 184 HE2 TYR 27 HE2 TYR 351 -3.350 1.130 1.130 185 HH TYR 27 HH TYR 351 -5.415 1.742 1.742 186 1H NH2 28 1H1 TYR 351 -3.336 -6.344 -6.344 187 2H NH2 28 2H1 TYR 351 -2.023 -7.337 -7.337 Start of MODEL 14 1 1H CYS 1 1H CYS 352 10.988 -2.903 -2.903 2 2H CYS 1 2H CYS 352 11.066 -1.577 -1.577 3 3H CYS 1 3H CYS 352 11.145 -1.660 -1.660 4 HA CYS 1 HA CYS 352 8.949 -0.827 -0.827 5 1HB CYS 1 1HB CYS 352 7.600 -1.945 -1.945 6 2HB CYS 1 2HB CYS 352 9.217 -2.181 -2.181 7 H LYS 2 H LYS 353 6.974 -1.439 -1.439 8 HA LYS 2 HA LYS 353 6.943 -3.631 -3.631 9 1HB LYS 2 1HB LYS 353 4.862 -1.566 -1.566 10 2HB LYS 2 2HB LYS 353 4.592 -2.893 -2.893 11 1HG LYS 2 1HG LYS 353 6.634 -1.940 -1.940 12 2HG LYS 2 2HG LYS 353 6.387 -0.484 -0.484 13 1HD LYS 2 1HD LYS 353 3.943 -0.591 -0.591 14 2HD LYS 2 2HD LYS 353 4.395 -1.851 -1.851 15 1HE LYS 2 1HE LYS 353 4.901 -0.259 -0.259 16 2HE LYS 2 2HE LYS 353 6.157 0.354 0.354 17 1HZ LYS 2 1HZ LYS 353 3.335 1.121 1.121 18 2HZ LYS 2 2HZ LYS 353 4.406 2.017 2.017 19 3HZ LYS 2 3HZ LYS 353 4.392 1.636 1.636 20 H SER 3 H SER 354 6.578 -5.476 -5.476 21 HA SER 3 HA SER 354 5.592 -6.602 -6.602 22 1HB SER 3 1HB SER 354 5.222 -7.579 -7.579 23 2HB SER 3 2HB SER 354 5.122 -8.583 -8.583 24 HG SER 3 HG SER 354 7.274 -8.736 -8.736 25 HA HYP 4 HA HYP 355 1.326 -5.802 -5.802 26 1HB HYP 4 1HB HYP 355 1.198 -8.830 -8.830 27 2HB HYP 4 2HB HYP 355 0.418 -7.571 -7.571 28 HG HYP 4 HG HYP 355 2.684 -8.601 -8.601 29 HD1 HYP 4 HD1 HYP 355 3.501 -6.467 -6.467 30 1HD2 HYP 4 1HD2 HYP 355 4.525 -7.094 -7.094 31 2HD2 HYP 4 2HD2 HYP 355 3.976 -8.613 -8.613 32 H GLY 5 H GLY 356 -0.486 -5.734 -5.734 33 1HA GLY 5 1HA GLY 356 -2.186 -6.310 -6.310 34 2HA GLY 5 2HA GLY 356 -1.179 -7.647 -7.647 35 H SER 6 H SER 357 0.979 -5.408 -5.408 36 HA SER 6 HA SER 357 0.539 -4.899 -4.899 37 1HB SER 6 1HB SER 357 2.713 -3.865 -3.865 38 2HB SER 6 2HB SER 357 2.777 -5.407 -5.407 39 HG SER 6 HG SER 357 3.946 -3.693 -3.693 40 H SER 7 H SER 358 0.549 -2.831 -2.831 41 HA SER 7 HA SER 358 -1.405 -1.120 -1.120 42 1HB SER 7 1HB SER 358 -1.400 -1.862 -1.862 43 2HB SER 7 2HB SER 358 -0.111 -0.667 -0.667 44 HG SER 7 HG SER 358 -2.261 0.240 0.240 45 H CYS 8 H CYS 359 -1.372 0.520 0.520 46 HA CYS 8 HA CYS 359 0.937 2.328 2.328 47 1HB CYS 8 1HB CYS 359 0.833 2.442 2.442 48 2HB CYS 8 2HB CYS 359 1.224 0.814 0.814 49 H SER 9 H SER 360 0.515 4.334 4.334 50 HA SER 9 HA SER 360 -2.073 5.495 5.495 51 1HB SER 9 1HB SER 360 -0.110 6.539 6.539 52 2HB SER 9 2HB SER 360 0.682 6.637 6.637 53 HG SER 9 HG SER 360 -0.257 8.728 8.728 54 HA HYP 10 HA HYP 361 -3.177 6.510 6.510 55 1HB HYP 10 1HB HYP 361 -4.469 8.897 8.897 56 2HB HYP 10 2HB HYP 361 -5.224 7.457 7.457 57 HG HYP 10 HG HYP 361 -4.978 8.209 8.209 58 HD1 HYP 10 HD1 HYP 361 -6.578 6.419 6.419 59 1HD2 HYP 10 1HD2 HYP 361 -4.344 5.328 5.328 60 2HD2 HYP 10 2HD2 HYP 361 -3.676 6.513 6.513 61 H THR 11 H THR 362 -1.113 8.216 8.216 62 HA THR 11 HA THR 362 -0.191 9.682 9.682 63 HB THR 11 HB THR 362 -0.863 11.339 11.339 64 HG1 THR 11 HG1 THR 362 1.165 12.515 12.515 65 1HG2 THR 11 1HG2 THR 362 1.150 10.087 10.087 66 2HG2 THR 11 2HG2 THR 362 0.287 11.613 11.613 67 3HG2 THR 11 3HG2 THR 362 -0.608 10.084 10.084 68 H SER 12 H SER 363 0.763 7.106 7.106 69 HA SER 12 HA SER 363 3.596 7.715 7.715 70 1HB SER 12 1HB SER 363 4.044 5.749 5.749 71 2HB SER 12 2HB SER 363 2.906 6.829 6.829 72 HG SER 12 HG SER 363 2.248 4.549 4.549 73 H TYR 13 H TYR 364 1.558 5.013 5.013 74 HA TYR 13 HA TYR 364 1.581 3.517 3.517 75 1HB TYR 13 1HB TYR 364 3.056 5.760 5.760 76 2HB TYR 13 2HB TYR 364 2.379 4.335 4.335 77 HD1 TYR 13 HD1 TYR 364 -0.041 3.957 3.957 78 HD2 TYR 13 HD2 TYR 364 1.660 7.625 7.625 79 HE1 TYR 13 HE1 TYR 364 -2.294 5.052 5.052 80 HE2 TYR 13 HE2 TYR 364 -0.594 8.725 8.725 81 HH TYR 13 HH TYR 364 -2.811 8.398 8.398 82 H ASN 14 H ASN 365 3.701 3.350 3.350 83 HA ASN 14 HA ASN 365 6.224 2.655 2.655 84 1HB ASN 14 1HB ASN 365 6.947 2.495 2.495 85 2HB ASN 14 2HB ASN 365 6.086 4.018 4.018 86 1HD2 ASN 14 1HD2 ASN 365 6.528 1.865 1.865 87 2HD2 ASN 14 2HD2 ASN 365 5.080 1.803 1.803 88 H CYS 15 H CYS 366 4.378 0.994 0.994 89 HA CYS 15 HA CYS 366 4.853 -1.620 -1.620 90 1HB CYS 15 1HB CYS 366 2.517 -0.708 -0.708 91 2HB CYS 15 2HB CYS 366 2.703 -2.293 -2.293 92 H CYS 16 H CYS 367 5.347 -3.307 -3.307 93 HA CYS 16 HA CYS 367 6.509 -2.891 -2.891 94 1HB CYS 16 1HB CYS 367 5.803 -5.311 -5.311 95 2HB CYS 16 2HB CYS 367 6.201 -5.500 -5.500 96 H ARG 17 H ARG 368 3.297 -4.250 -4.250 97 HA ARG 17 HA ARG 368 2.537 -3.082 -3.082 98 1HB ARG 17 1HB ARG 368 0.873 -5.016 -5.016 99 2HB ARG 17 2HB ARG 368 0.544 -4.353 -4.353 100 1HG ARG 17 1HG ARG 368 2.598 -5.540 -5.540 101 2HG ARG 17 2HG ARG 368 2.700 -6.326 -6.326 102 1HD ARG 17 1HD ARG 368 0.394 -6.540 -6.540 103 2HD ARG 17 2HD ARG 368 1.629 -7.776 -7.776 104 HE ARG 17 HE ARG 368 -0.538 -7.060 -7.060 105 1HH1 ARG 17 1HH2 ARG 368 2.149 -9.215 -9.215 106 2HH1 ARG 17 2HH2 ARG 368 1.542 -10.358 -10.358 107 1HH2 ARG 17 1HH1 ARG 368 -1.411 -8.856 -8.856 108 2HH2 ARG 17 2HH1 ARG 368 -0.446 -10.156 -10.156 109 H SER 18 H SER 369 1.552 -1.297 -1.297 110 HA SER 18 HA SER 369 1.291 0.720 0.720 111 1HB SER 18 1HB SER 369 0.175 0.479 0.479 112 2HB SER 18 2HB SER 369 -1.133 -0.447 -0.447 113 HG SER 18 HG SER 369 -1.758 1.802 1.802 114 H CYS 19 H CYS 370 0.091 1.871 1.871 115 HA CYS 19 HA CYS 370 -1.172 0.359 0.359 116 1HB CYS 19 1HB CYS 370 0.019 2.607 2.607 117 2HB CYS 19 2HB CYS 370 -1.441 3.344 3.344 118 H ASN 20 H ASN 371 -3.325 0.098 0.098 119 HA ASN 20 HA ASN 371 -5.310 1.365 1.365 120 1HB ASN 20 1HB ASN 371 -5.600 -1.019 -1.019 121 2HB ASN 20 2HB ASN 371 -5.808 -0.841 -0.841 122 1HD2 ASN 20 1HD2 ASN 371 -7.612 -1.248 -1.248 123 2HD2 ASN 20 2HD2 ASN 371 -8.977 -0.417 -0.417 124 HA HYP 21 HA HYP 372 -5.295 4.451 4.451 125 1HB HYP 21 1HB HYP 372 -7.536 5.295 5.295 126 2HB HYP 21 2HB HYP 372 -6.366 6.319 6.319 127 HG HYP 21 HG HYP 372 -5.722 5.876 5.876 128 HD1 HYP 21 HD1 HYP 372 -3.488 5.203 5.203 129 1HD2 HYP 21 1HD2 HYP 372 -4.762 3.276 3.276 130 2HD2 HYP 21 2HD2 HYP 372 -6.523 3.448 3.448 131 H TYR 22 H TYR 373 -8.270 2.995 2.995 132 HA TYR 22 HA TYR 373 -10.029 3.815 3.815 133 1HB TYR 22 1HB TYR 373 -10.615 2.935 2.935 134 2HB TYR 22 2HB TYR 373 -10.326 1.308 1.308 135 HD1 TYR 22 HD1 TYR 373 -12.119 4.485 4.485 136 HD2 TYR 22 HD2 TYR 373 -12.192 0.145 0.145 137 HE1 TYR 22 HE1 TYR 373 -14.195 4.491 4.491 138 HE2 TYR 22 HE2 TYR 373 -14.296 0.153 0.153 139 HH TYR 22 HH TYR 373 -15.812 1.331 1.331 140 H THR 23 H THR 374 -8.322 0.767 0.767 141 HA THR 23 HA THR 374 -9.296 -0.279 -0.279 142 HB THR 23 HB THR 374 -9.540 -1.606 -1.606 143 HG1 THR 23 HG1 THR 374 -8.791 -3.612 -3.612 144 1HG2 THR 23 1HG2 THR 374 -6.567 -1.909 -1.909 145 2HG2 THR 23 2HG2 THR 374 -7.728 -2.866 -2.866 146 3HG2 THR 23 3HG2 THR 374 -7.562 -1.129 -1.129 147 H LYS 24 H LYS 375 -6.712 1.561 1.561 148 HA LYS 24 HA LYS 375 -4.680 2.137 2.137 149 1HB LYS 24 1HB LYS 375 -5.866 0.787 0.787 150 2HB LYS 24 2HB LYS 375 -4.503 1.919 1.919 151 1HG LYS 24 1HG LYS 375 -7.181 2.773 2.773 152 2HG LYS 24 2HG LYS 375 -6.875 2.741 2.741 153 1HD LYS 24 1HD LYS 375 -5.005 4.301 4.301 154 2HD LYS 24 2HD LYS 375 -5.243 4.298 4.298 155 1HE LYS 24 1HE LYS 375 -7.485 5.073 5.073 156 2HE LYS 24 2HE LYS 375 -6.264 6.255 6.255 157 1HZ LYS 24 1HZ LYS 375 -7.965 4.785 4.785 158 2HZ LYS 24 2HZ LYS 375 -8.143 6.227 6.227 159 3HZ LYS 24 3HZ LYS 375 -6.937 5.781 5.781 160 H ARG 25 H ARG 376 -4.471 -0.083 -0.083 161 HA ARG 25 HA ARG 376 -2.422 -1.751 -1.751 162 1HB ARG 25 1HB ARG 376 -5.004 -2.880 -2.880 163 2HB ARG 25 2HB ARG 376 -3.552 -3.839 -3.839 164 1HG ARG 25 1HG ARG 376 -5.149 -2.286 -2.286 165 2HG ARG 25 2HG ARG 376 -5.240 -4.035 -4.035 166 1HD ARG 25 1HD ARG 376 -2.998 -4.354 -4.354 167 2HD ARG 25 2HD ARG 376 -2.685 -2.609 -2.609 168 HE ARG 25 HE ARG 376 -4.625 -2.718 -2.718 169 1HH1 ARG 25 1HH2 ARG 376 -2.453 -5.382 -5.382 170 2HH1 ARG 25 2HH2 ARG 376 -2.260 -5.518 -5.518 171 1HH2 ARG 25 1HH1 ARG 376 -4.403 -3.001 -3.001 172 2HH2 ARG 25 2HH1 ARG 376 -3.387 -4.154 -4.154 173 H CYS 26 H CYS 377 -1.102 -2.741 -2.741 174 HA CYS 26 HA CYS 377 -0.733 -1.749 -1.749 175 1HB CYS 26 1HB CYS 377 0.436 -4.231 -4.231 176 2HB CYS 26 2HB CYS 377 1.031 -3.419 -3.419 177 H TYR 27 H TYR 378 -1.352 -2.627 -2.627 178 HA TYR 27 HA TYR 378 -3.165 -4.780 -4.780 179 1HB TYR 27 1HB TYR 378 -1.552 -3.097 -3.097 180 2HB TYR 27 2HB TYR 378 -2.473 -4.500 -4.500 181 HD1 TYR 27 HD2 TYR 378 -4.982 -4.530 -4.530 182 HD2 TYR 27 HD1 TYR 378 -2.607 -1.082 -1.082 183 HE1 TYR 27 HE2 TYR 378 -7.075 -3.272 -3.272 184 HE2 TYR 27 HE1 TYR 378 -4.714 0.184 0.184 185 HH TYR 27 HH TYR 378 -7.994 -1.537 -1.537 186 1H NH2 28 1H1 TYR 378 -2.745 -6.813 -6.813 187 2H NH2 28 2H1 TYR 378 -1.262 -7.526 -7.526 Start of MODEL 15 1 1H CYS 1 1H CYS 379 10.919 -3.047 -3.047 2 2H CYS 1 2H CYS 379 11.090 -1.598 -1.598 3 3H CYS 1 3H CYS 379 11.008 -2.053 -2.053 4 HA CYS 1 HA CYS 379 8.910 -1.004 -1.004 5 1HB CYS 1 1HB CYS 379 7.589 -1.929 -1.929 6 2HB CYS 1 2HB CYS 379 9.176 -1.391 -1.391 7 H LYS 2 H LYS 380 7.227 -1.474 -1.474 8 HA LYS 2 HA LYS 380 6.851 -3.572 -3.572 9 1HB LYS 2 1HB LYS 380 4.900 -1.608 -1.608 10 2HB LYS 2 2HB LYS 380 4.419 -2.827 -2.827 11 1HG LYS 2 1HG LYS 380 5.968 -1.842 -1.842 12 2HG LYS 2 2HG LYS 380 6.443 -0.619 -0.619 13 1HD LYS 2 1HD LYS 380 4.075 0.147 0.147 14 2HD LYS 2 2HD LYS 380 3.630 -1.050 -1.050 15 1HE LYS 2 1HE LYS 380 4.777 0.075 0.075 16 2HE LYS 2 2HE LYS 380 5.844 0.914 0.914 17 1HZ LYS 2 1HZ LYS 380 3.001 1.517 1.517 18 2HZ LYS 2 2HZ LYS 380 4.099 2.387 2.387 19 3HZ LYS 2 3HZ LYS 380 3.899 2.224 2.224 20 H SER 3 H SER 381 5.840 -5.448 -5.448 21 HA SER 3 HA SER 381 5.130 -6.792 -6.792 22 1HB SER 3 1HB SER 381 4.553 -8.664 -8.664 23 2HB SER 3 2HB SER 381 5.974 -7.910 -7.910 24 HG SER 3 HG SER 381 4.322 -8.467 -8.467 25 HA HYP 4 HA HYP 382 0.859 -5.847 -5.847 26 1HB HYP 4 1HB HYP 382 0.949 -8.809 -8.809 27 2HB HYP 4 2HB HYP 382 0.120 -7.493 -7.493 28 HG HYP 4 HG HYP 382 2.479 -8.256 -8.256 29 HD1 HYP 4 HD1 HYP 382 3.252 -6.028 -6.028 30 1HD2 HYP 4 1HD2 HYP 382 4.196 -6.867 -6.867 31 2HD2 HYP 4 2HD2 HYP 382 3.669 -8.477 -8.477 32 H GLY 5 H GLY 383 -0.722 -5.791 -5.791 33 1HA GLY 5 1HA GLY 383 -2.267 -6.728 -6.728 34 2HA GLY 5 2HA GLY 383 -0.899 -7.659 -7.659 35 H SER 6 H SER 384 0.951 -5.444 -5.444 36 HA SER 6 HA SER 384 0.737 -4.657 -4.657 37 1HB SER 6 1HB SER 384 2.850 -4.919 -4.919 38 2HB SER 6 2HB SER 384 2.494 -3.496 -3.496 39 HG SER 6 HG SER 384 3.930 -2.962 -2.962 40 H SER 7 H SER 385 0.384 -2.847 -2.847 41 HA SER 7 HA SER 385 -1.645 -1.053 -1.053 42 1HB SER 7 1HB SER 385 -1.372 -0.071 -0.071 43 2HB SER 7 2HB SER 385 -1.583 -1.830 -1.830 44 HG SER 7 HG SER 385 0.168 -1.111 -1.111 45 H CYS 8 H CYS 386 -1.492 0.891 0.891 46 HA CYS 8 HA CYS 386 0.870 2.532 2.532 47 1HB CYS 8 1HB CYS 386 0.979 2.505 2.505 48 2HB CYS 8 2HB CYS 386 1.341 0.923 0.923 49 H SER 9 H SER 387 0.589 4.446 4.446 50 HA SER 9 HA SER 387 -2.022 5.685 5.685 51 1HB SER 9 1HB SER 387 -0.111 6.838 6.838 52 2HB SER 9 2HB SER 387 0.734 6.874 6.874 53 HG SER 9 HG SER 387 -0.379 8.942 8.942 54 HA HYP 10 HA HYP 388 -2.806 6.039 6.039 55 1HB HYP 10 1HB HYP 388 -4.458 8.262 8.262 56 2HB HYP 10 2HB HYP 388 -5.021 6.601 6.601 57 HG HYP 10 HG HYP 388 -4.230 8.678 8.678 58 HD1 HYP 10 HD1 HYP 388 -6.021 7.692 7.692 59 1HD2 HYP 10 1HD2 HYP 388 -4.237 5.676 5.676 60 2HD2 HYP 10 2HD2 HYP 388 -3.352 6.958 6.958 61 H THR 11 H THR 389 -1.150 8.299 8.299 62 HA THR 11 HA THR 389 -0.166 9.680 9.680 63 HB THR 11 HB THR 389 1.041 11.182 11.182 64 HG1 THR 11 HG1 THR 389 0.293 11.225 11.225 65 1HG2 THR 11 1HG2 THR 389 -1.952 11.114 11.114 66 2HG2 THR 11 2HG2 THR 389 -0.902 12.494 12.494 67 3HG2 THR 11 3HG2 THR 389 -1.001 11.867 11.867 68 H SER 12 H SER 390 0.676 7.047 7.047 69 HA SER 12 HA SER 390 3.496 7.216 7.216 70 1HB SER 12 1HB SER 390 4.201 6.195 6.195 71 2HB SER 12 2HB SER 390 2.978 7.359 7.359 72 HG SER 12 HG SER 390 2.763 5.275 5.275 73 H TYR 13 H TYR 391 2.620 6.374 6.374 74 HA TYR 13 HA TYR 391 1.705 3.697 3.697 75 1HB TYR 13 1HB TYR 391 3.030 5.469 5.469 76 2HB TYR 13 2HB TYR 391 2.315 3.884 3.884 77 HD1 TYR 13 HD2 TYR 391 -0.145 3.524 3.524 78 HD2 TYR 13 HD1 TYR 391 1.678 7.411 7.411 79 HE1 TYR 13 HE2 TYR 391 -2.410 4.564 4.564 80 HE2 TYR 13 HE1 TYR 391 -0.602 8.463 8.463 81 HH TYR 13 HH TYR 391 -3.585 6.306 6.306 82 H ASN 14 H ASN 392 3.810 3.622 3.622 83 HA ASN 14 HA ASN 392 6.351 2.943 2.943 84 1HB ASN 14 1HB ASN 392 7.097 2.773 2.773 85 2HB ASN 14 2HB ASN 392 6.345 4.319 4.319 86 1HD2 ASN 14 1HD2 ASN 392 6.865 3.264 3.264 87 2HD2 ASN 14 2HD2 ASN 392 5.434 3.159 3.159 88 H CYS 15 H CYS 393 4.368 1.145 1.145 89 HA CYS 15 HA CYS 393 4.958 -1.406 -1.406 90 1HB CYS 15 1HB CYS 393 2.505 -0.709 -0.709 91 2HB CYS 15 2HB CYS 393 2.786 -2.167 -2.167 92 H CYS 16 H CYS 394 5.130 -3.190 -3.190 93 HA CYS 16 HA CYS 394 6.452 -2.791 -2.791 94 1HB CYS 16 1HB CYS 394 5.183 -5.342 -5.342 95 2HB CYS 16 2HB CYS 394 6.465 -5.202 -5.202 96 H ARG 17 H ARG 395 3.125 -3.833 -3.833 97 HA ARG 17 HA ARG 395 2.593 -3.214 -3.214 98 1HB ARG 17 1HB ARG 395 1.157 -4.938 -4.938 99 2HB ARG 17 2HB ARG 395 0.414 -4.402 -4.402 100 1HG ARG 17 1HG ARG 395 2.158 -5.494 -5.494 101 2HG ARG 17 2HG ARG 395 3.021 -5.937 -5.937 102 1HD ARG 17 1HD ARG 395 1.794 -7.874 -7.874 103 2HD ARG 17 2HD ARG 395 1.029 -7.288 -7.288 104 HE ARG 17 HE ARG 395 -0.073 -6.319 -6.319 105 1HH1 ARG 17 1HH2 ARG 395 -0.353 -9.251 -9.251 106 2HH1 ARG 17 2HH2 ARG 395 -2.000 -9.254 -9.254 107 1HH2 ARG 17 1HH1 ARG 395 -2.268 -6.529 -6.529 108 2HH2 ARG 17 2HH1 ARG 395 -3.100 -7.689 -7.689 109 H SER 18 H SER 396 2.840 -1.152 -1.152 110 HA SER 18 HA SER 396 2.093 0.881 0.881 111 1HB SER 18 1HB SER 396 1.126 0.890 0.890 112 2HB SER 18 2HB SER 396 -0.411 0.394 0.394 113 HG SER 18 HG SER 396 -0.275 2.751 2.751 114 H CYS 19 H CYS 397 0.306 1.937 1.937 115 HA CYS 19 HA CYS 397 -0.830 0.213 0.213 116 1HB CYS 19 1HB CYS 397 0.506 2.222 2.222 117 2HB CYS 19 2HB CYS 397 -0.689 3.238 3.238 118 H ASN 20 H ASN 398 -3.011 -0.112 -0.112 119 HA ASN 20 HA ASN 398 -4.932 1.086 1.086 120 1HB ASN 20 1HB ASN 398 -5.085 -1.352 -1.352 121 2HB ASN 20 2HB ASN 398 -5.470 -0.825 -0.825 122 1HD2 ASN 20 1HD2 ASN 398 -7.601 -1.496 -1.496 123 2HD2 ASN 20 2HD2 ASN 398 -8.815 -0.940 -0.940 124 HA HYP 21 HA HYP 399 -5.753 4.446 4.446 125 1HB HYP 21 1HB HYP 399 -7.915 4.764 4.764 126 2HB HYP 21 2HB HYP 399 -6.944 6.025 6.025 127 HG HYP 21 HG HYP 399 -6.242 5.209 5.209 128 HD1 HYP 21 HD1 HYP 399 -3.934 5.466 5.466 129 1HD2 HYP 21 1HD2 HYP 399 -4.566 3.178 3.178 130 2HD2 HYP 21 2HD2 HYP 399 -6.278 2.861 2.861 131 H TYR 22 H TYR 400 -8.240 2.417 2.417 132 HA TYR 22 HA TYR 400 -10.401 2.993 2.993 133 1HB TYR 22 1HB TYR 400 -10.417 1.797 1.797 134 2HB TYR 22 2HB TYR 400 -10.054 0.326 0.326 135 HD1 TYR 22 HD1 TYR 400 -12.518 2.989 2.989 136 HD2 TYR 22 HD2 TYR 400 -11.718 -0.669 -0.669 137 HE1 TYR 22 HE1 TYR 400 -14.977 2.710 2.710 138 HE2 TYR 22 HE2 TYR 400 -14.178 -0.948 -0.948 139 HH TYR 22 HH TYR 400 -16.185 -0.132 -0.132 140 H THR 23 H THR 401 -8.195 0.206 0.206 141 HA THR 23 HA THR 401 -9.374 -0.404 -0.404 142 HB THR 23 HB THR 401 -8.087 -2.514 -2.514 143 HG1 THR 23 HG1 THR 401 -7.122 -3.191 -3.191 144 1HG2 THR 23 1HG2 THR 401 -9.890 -2.052 -2.052 145 2HG2 THR 23 2HG2 THR 401 -9.452 -3.626 -3.626 146 3HG2 THR 23 3HG2 THR 401 -10.427 -2.489 -2.489 147 H LYS 24 H LYS 402 -6.862 1.455 1.455 148 HA LYS 24 HA LYS 402 -4.939 2.299 2.299 149 1HB LYS 24 1HB LYS 402 -5.903 1.092 1.092 150 2HB LYS 24 2HB LYS 402 -4.589 2.265 2.265 151 1HG LYS 24 1HG LYS 402 -7.495 2.723 2.723 152 2HG LYS 24 2HG LYS 402 -6.658 3.359 3.359 153 1HD LYS 24 1HD LYS 402 -5.135 4.641 4.641 154 2HD LYS 24 2HD LYS 402 -5.912 3.969 3.969 155 1HE LYS 24 1HE LYS 402 -7.151 5.873 5.873 156 2HE LYS 24 2HE LYS 402 -8.078 4.963 4.963 157 1HZ LYS 24 1HZ LYS 402 -5.908 6.802 6.802 158 2HZ LYS 24 2HZ LYS 402 -7.352 7.105 7.105 159 3HZ LYS 24 3HZ LYS 402 -6.688 6.037 6.037 160 H ARG 25 H ARG 403 -4.649 -0.242 -0.242 161 HA ARG 25 HA ARG 403 -2.485 -1.586 -1.586 162 1HB ARG 25 1HB ARG 403 -4.878 -2.831 -2.831 163 2HB ARG 25 2HB ARG 403 -3.424 -3.746 -3.746 164 1HG ARG 25 1HG ARG 403 -3.800 -3.296 -3.296 165 2HG ARG 25 2HG ARG 403 -5.180 -2.254 -2.254 166 1HD ARG 25 1HD ARG 403 -6.314 -4.137 -4.137 167 2HD ARG 25 2HD ARG 403 -4.921 -5.184 -5.184 168 HE ARG 25 HE ARG 403 -5.662 -4.183 -4.183 169 1HH1 ARG 25 1HH1 ARG 403 -7.167 -6.423 -6.423 170 2HH1 ARG 25 2HH1 ARG 403 -8.179 -7.000 -7.000 171 1HH2 ARG 25 1HH2 ARG 403 -7.255 -4.749 -4.749 172 2HH2 ARG 25 2HH2 ARG 403 -8.237 -6.024 -6.024 173 H CYS 26 H CYS 404 -0.924 -2.578 -2.578 174 HA CYS 26 HA CYS 404 -0.591 -1.561 -1.561 175 1HB CYS 26 1HB CYS 404 0.707 -3.962 -3.962 176 2HB CYS 26 2HB CYS 404 1.255 -3.179 -3.179 177 H TYR 27 H TYR 405 -1.212 -2.270 -2.270 178 HA TYR 27 HA TYR 405 -3.167 -4.260 -4.260 179 1HB TYR 27 1HB TYR 405 -1.286 -2.831 -2.831 180 2HB TYR 27 2HB TYR 405 -2.538 -3.966 -3.966 181 HD1 TYR 27 HD1 TYR 405 -5.046 -3.316 -3.316 182 HD2 TYR 27 HD2 TYR 405 -1.661 -0.654 -0.654 183 HE1 TYR 27 HE1 TYR 405 -6.604 -1.436 -1.436 184 HE2 TYR 27 HE2 TYR 405 -3.234 1.233 1.233 185 HH TYR 27 HH TYR 405 -5.302 1.985 1.985 186 1H NH2 28 1H1 TYR 405 -2.816 -6.153 -6.153 187 2H NH2 28 2H1 TYR 405 -1.431 -7.035 -7.035 Start of MODEL 16 1 1H CYS 1 1H CYS 406 10.926 -0.802 -0.802 2 2H CYS 1 2H CYS 406 10.930 -1.476 -1.476 3 3H CYS 1 3H CYS 406 10.828 -2.288 -2.288 4 HA CYS 1 HA CYS 406 8.728 -0.460 -0.460 5 1HB CYS 1 1HB CYS 406 7.395 -1.399 -1.399 6 2HB CYS 1 2HB CYS 406 8.850 -0.565 -0.565 7 H LYS 2 H LYS 407 7.050 -1.171 -1.171 8 HA LYS 2 HA LYS 407 7.346 -3.481 -3.481 9 1HB LYS 2 1HB LYS 407 4.930 -1.723 -1.723 10 2HB LYS 2 2HB LYS 407 5.053 -3.001 -3.001 11 1HG LYS 2 1HG LYS 407 6.876 -1.767 -1.767 12 2HG LYS 2 2HG LYS 407 6.742 -0.486 -0.486 13 1HD LYS 2 1HD LYS 407 4.373 -0.145 -0.145 14 2HD LYS 2 2HD LYS 407 4.473 -1.457 -1.457 15 1HE LYS 2 1HE LYS 407 5.731 -0.192 -0.192 16 2HE LYS 2 2HE LYS 407 6.394 0.841 0.841 17 1HZ LYS 2 1HZ LYS 407 3.612 0.924 0.924 18 2HZ LYS 2 2HZ LYS 407 4.623 1.969 1.969 19 3HZ LYS 2 3HZ LYS 407 4.170 1.794 1.794 20 H SER 3 H SER 408 6.201 -5.323 -5.323 21 HA SER 3 HA SER 408 5.420 -6.717 -6.717 22 1HB SER 3 1HB SER 408 4.376 -8.326 -8.326 23 2HB SER 3 2HB SER 408 6.115 -8.007 -8.007 24 HG SER 3 HG SER 408 5.044 -7.944 -7.944 25 HA HYP 4 HA HYP 409 1.100 -5.671 -5.671 26 1HB HYP 4 1HB HYP 409 1.416 -8.561 -8.561 27 2HB HYP 4 2HB HYP 409 0.454 -7.271 -7.271 28 HG HYP 4 HG HYP 409 2.740 -7.656 -7.656 29 HD1 HYP 4 HD1 HYP 409 3.358 -5.365 -5.365 30 1HD2 HYP 4 1HD2 HYP 409 4.457 -6.305 -6.305 31 2HD2 HYP 4 2HD2 HYP 409 4.120 -8.015 -8.015 32 H GLY 5 H GLY 410 -0.711 -5.923 -5.923 33 1HA GLY 5 1HA GLY 410 -2.313 -6.787 -6.787 34 2HA GLY 5 2HA GLY 410 -1.096 -7.925 -7.925 35 H SER 6 H SER 411 0.851 -5.724 -5.724 36 HA SER 6 HA SER 411 0.537 -5.118 -5.118 37 1HB SER 6 1HB SER 411 2.410 -3.932 -3.932 38 2HB SER 6 2HB SER 411 2.574 -3.735 -3.735 39 HG SER 6 HG SER 411 3.923 -5.527 -5.527 40 H SER 7 H SER 412 0.468 -3.264 -3.264 41 HA SER 7 HA SER 412 -1.431 -1.293 -1.293 42 1HB SER 7 1HB SER 412 -1.000 -0.334 -0.334 43 2HB SER 7 2HB SER 412 -1.706 -1.957 -1.957 44 HG SER 7 HG SER 412 0.058 -1.850 -1.850 45 H CYS 8 H CYS 413 -1.086 0.532 0.532 46 HA CYS 8 HA CYS 413 1.470 1.943 1.943 47 1HB CYS 8 1HB CYS 413 1.106 2.107 2.107 48 2HB CYS 8 2HB CYS 413 1.525 0.486 0.486 49 H SER 9 H SER 414 1.315 4.023 4.023 50 HA SER 9 HA SER 414 -1.270 5.364 5.364 51 1HB SER 9 1HB SER 414 0.661 6.485 6.485 52 2HB SER 9 2HB SER 414 1.420 6.666 6.666 53 HG SER 9 HG SER 414 0.105 8.587 8.587 54 HA HYP 10 HA HYP 415 -1.845 5.414 5.414 55 1HB HYP 10 1HB HYP 415 -3.659 7.661 7.661 56 2HB HYP 10 2HB HYP 415 -3.944 6.449 6.449 57 HG HYP 10 HG HYP 415 -5.006 6.061 6.061 58 HD1 HYP 10 HD1 HYP 415 -4.676 3.725 3.725 59 1HD2 HYP 10 1HD2 HYP 415 -2.962 4.621 4.621 60 2HD2 HYP 10 2HD2 HYP 415 -3.136 6.360 6.360 61 H THR 11 H THR 416 -1.271 8.356 8.356 62 HA THR 11 HA THR 416 -0.518 10.138 10.138 63 HB THR 11 HB THR 416 0.888 11.290 11.290 64 HG1 THR 11 HG1 THR 416 0.695 10.603 10.603 65 1HG2 THR 11 1HG2 THR 416 -1.969 10.629 10.629 66 2HG2 THR 11 2HG2 THR 416 -1.029 12.020 12.020 67 3HG2 THR 11 3HG2 THR 416 -1.483 11.893 11.893 68 H SER 12 H SER 417 1.358 7.571 7.571 69 HA SER 12 HA SER 417 3.775 8.333 8.333 70 1HB SER 12 1HB SER 417 4.792 6.477 6.477 71 2HB SER 12 2HB SER 417 4.361 8.025 8.025 72 HG SER 12 HG SER 417 3.654 6.176 6.176 73 H TYR 13 H TYR 418 1.409 5.766 5.766 74 HA TYR 13 HA TYR 418 1.223 3.731 3.731 75 1HB TYR 13 1HB TYR 418 2.544 5.491 5.491 76 2HB TYR 13 2HB TYR 418 1.849 3.896 3.896 77 HD1 TYR 13 HD1 TYR 418 -0.675 3.752 3.752 78 HD2 TYR 13 HD2 TYR 418 1.252 7.195 7.195 79 HE1 TYR 13 HE1 TYR 418 -2.930 4.763 4.763 80 HE2 TYR 13 HE2 TYR 418 -0.990 8.210 8.210 81 HH TYR 13 HH TYR 418 -3.116 8.139 8.139 82 H ASN 14 H ASN 419 3.101 3.427 3.427 83 HA ASN 14 HA ASN 419 5.708 2.980 2.980 84 1HB ASN 14 1HB ASN 419 6.478 3.028 3.028 85 2HB ASN 14 2HB ASN 419 5.544 4.456 4.456 86 1HD2 ASN 14 1HD2 ASN 419 6.001 2.195 2.195 87 2HD2 ASN 14 2HD2 ASN 419 4.612 2.327 2.327 88 H CYS 15 H CYS 420 3.977 1.046 1.046 89 HA CYS 15 HA CYS 420 5.029 -1.439 -1.439 90 1HB CYS 15 1HB CYS 420 2.266 -0.618 -0.618 91 2HB CYS 15 2HB CYS 420 2.665 -2.202 -2.202 92 H CYS 16 H CYS 421 5.256 -3.125 -3.125 93 HA CYS 16 HA CYS 421 6.564 -2.596 -2.596 94 1HB CYS 16 1HB CYS 421 5.569 -5.197 -5.197 95 2HB CYS 16 2HB CYS 421 6.693 -4.968 -4.968 96 H ARG 17 H ARG 422 3.233 -3.768 -3.768 97 HA ARG 17 HA ARG 422 2.637 -2.925 -2.925 98 1HB ARG 17 1HB ARG 422 1.691 -5.182 -5.182 99 2HB ARG 17 2HB ARG 422 0.378 -4.244 -4.244 100 1HG ARG 17 1HG ARG 422 1.626 -4.481 -4.481 101 2HG ARG 17 2HG ARG 422 2.647 -5.676 -5.676 102 1HD ARG 17 1HD ARG 422 0.765 -6.736 -6.736 103 2HD ARG 17 2HD ARG 422 0.688 -7.046 -7.046 104 HE ARG 17 HE ARG 422 -0.872 -4.796 -4.796 105 1HH1 ARG 17 1HH2 ARG 422 -1.066 -8.237 -8.237 106 2HH1 ARG 17 2HH2 ARG 422 -2.688 -8.249 -8.249 107 1HH2 ARG 17 1HH1 ARG 422 -3.116 -4.892 -4.892 108 2HH2 ARG 17 2HH1 ARG 422 -3.856 -6.346 -6.346 109 H SER 18 H SER 423 2.855 -1.087 -1.087 110 HA SER 18 HA SER 423 1.934 0.782 0.782 111 1HB SER 18 1HB SER 423 1.510 1.132 1.132 112 2HB SER 18 2HB SER 423 -0.146 0.582 0.582 113 HG SER 18 HG SER 423 0.028 2.965 2.965 114 H CYS 19 H CYS 424 -0.112 1.856 1.856 115 HA CYS 19 HA CYS 424 -1.310 0.037 0.037 116 1HB CYS 19 1HB CYS 424 0.328 1.755 1.755 117 2HB CYS 19 2HB CYS 424 -0.727 3.016 3.016 118 H ASN 20 H ASN 425 -3.422 -0.264 -0.264 119 HA ASN 20 HA ASN 425 -5.258 1.059 1.059 120 1HB ASN 20 1HB ASN 425 -5.343 -1.339 -1.339 121 2HB ASN 20 2HB ASN 425 -5.825 -0.725 -0.725 122 1HD2 ASN 20 1HD2 ASN 425 -7.633 -2.236 -2.236 123 2HD2 ASN 20 2HD2 ASN 425 -8.955 -1.658 -1.658 124 HA HYP 21 HA HYP 426 -6.265 4.650 4.650 125 1HB HYP 21 1HB HYP 426 -8.348 4.591 4.591 126 2HB HYP 21 2HB HYP 426 -7.552 5.997 5.997 127 HG HYP 21 HG HYP 426 -6.584 5.093 5.093 128 HD1 HYP 21 HD1 HYP 426 -4.346 5.504 5.504 129 1HD2 HYP 21 1HD2 HYP 426 -4.862 3.184 3.184 130 2HD2 HYP 21 2HD2 HYP 426 -6.524 2.757 2.757 131 H TYR 22 H TYR 427 -8.685 2.372 2.372 132 HA TYR 22 HA TYR 427 -10.726 2.999 2.999 133 1HB TYR 22 1HB TYR 427 -10.201 0.379 0.379 134 2HB TYR 22 2HB TYR 427 -11.723 0.844 0.844 135 HD1 TYR 22 HD2 TYR 427 -13.077 2.789 2.789 136 HD2 TYR 22 HD1 TYR 427 -9.637 1.101 1.101 137 HE1 TYR 22 HE2 TYR 427 -13.450 4.350 4.350 138 HE2 TYR 22 HE1 TYR 427 -9.990 2.677 2.677 139 HH TYR 22 HH TYR 427 -12.735 5.117 5.117 140 H THR 23 H THR 428 -7.993 0.857 0.857 141 HA THR 23 HA THR 428 -9.093 0.243 0.243 142 HB THR 23 HB THR 428 -7.837 -1.929 -1.929 143 HG1 THR 23 HG1 THR 428 -7.166 -2.837 -2.837 144 1HG2 THR 23 1HG2 THR 428 -9.941 -1.605 -1.605 145 2HG2 THR 23 2HG2 THR 428 -9.456 -3.133 -3.133 146 3HG2 THR 23 3HG2 THR 428 -10.267 -1.890 -1.890 147 H LYS 24 H LYS 429 -6.511 1.824 1.824 148 HA LYS 24 HA LYS 429 -4.389 2.345 2.345 149 1HB LYS 24 1HB LYS 429 -5.585 1.956 1.956 150 2HB LYS 24 2HB LYS 429 -3.889 2.402 2.402 151 1HG LYS 24 1HG LYS 429 -4.818 4.243 4.243 152 2HG LYS 24 2HG LYS 429 -6.376 3.920 3.920 153 1HD LYS 24 1HD LYS 429 -5.471 4.467 4.467 154 2HD LYS 24 2HD LYS 429 -3.830 4.582 4.582 155 1HE LYS 24 1HE LYS 429 -4.494 6.513 6.513 156 2HE LYS 24 2HE LYS 429 -6.159 6.380 6.380 157 1HZ LYS 24 1HZ LYS 429 -3.858 6.923 6.923 158 2HZ LYS 24 2HZ LYS 429 -4.871 7.949 7.949 159 3HZ LYS 24 3HZ LYS 429 -5.260 6.811 6.811 160 H ARG 25 H ARG 430 -5.041 -0.461 -0.461 161 HA ARG 25 HA ARG 430 -2.690 -1.848 -1.848 162 1HB ARG 25 1HB ARG 430 -5.360 -2.976 -2.976 163 2HB ARG 25 2HB ARG 430 -3.889 -3.960 -3.960 164 1HG ARG 25 1HG ARG 430 -3.497 -3.420 -3.420 165 2HG ARG 25 2HG ARG 430 -5.058 -2.584 -2.584 166 1HD ARG 25 1HD ARG 430 -4.729 -5.468 -5.468 167 2HD ARG 25 2HD ARG 430 -5.103 -5.002 -5.002 168 HE ARG 25 HE ARG 430 -7.165 -4.071 -4.071 169 1HH1 ARG 25 1HH2 ARG 430 -5.629 -5.689 -5.689 170 2HH1 ARG 25 2HH2 ARG 430 -7.030 -6.239 -6.239 171 1HH2 ARG 25 1HH1 ARG 430 -9.072 -4.728 -4.728 172 2HH2 ARG 25 2HH1 ARG 430 -9.024 -5.679 -5.679 173 H CYS 26 H CYS 431 -1.507 -3.025 -3.025 174 HA CYS 26 HA CYS 431 -1.199 -1.894 -1.894 175 1HB CYS 26 1HB CYS 431 0.297 -4.208 -4.208 176 2HB CYS 26 2HB CYS 431 0.777 -3.195 -3.195 177 H TYR 27 H TYR 432 -1.598 -2.604 -2.604 178 HA TYR 27 HA TYR 432 -3.412 -4.615 -4.615 179 1HB TYR 27 1HB TYR 432 -1.290 -3.118 -3.118 180 2HB TYR 27 2HB TYR 432 -2.561 -4.114 -4.114 181 HD1 TYR 27 HD2 TYR 432 -5.081 -3.365 -3.365 182 HD2 TYR 27 HD1 TYR 432 -1.525 -0.909 -0.909 183 HE1 TYR 27 HE2 TYR 432 -6.503 -1.375 -1.375 184 HE2 TYR 27 HE1 TYR 432 -2.935 1.088 1.088 185 HH TYR 27 HH TYR 432 -6.607 0.762 0.762 186 1H NH2 28 1H1 TYR 432 -2.965 -6.591 -6.591 187 2H NH2 28 2H1 TYR 432 -1.536 -7.397 -7.397 Start of MODEL 17 1 1H CYS 1 1H CYS 433 10.772 -2.672 -2.672 2 2H CYS 1 2H CYS 433 10.851 -1.263 -1.263 3 3H CYS 1 3H CYS 433 10.600 -1.545 -1.545 4 HA CYS 1 HA CYS 433 8.521 -0.825 -0.825 5 1HB CYS 1 1HB CYS 433 7.585 -1.925 -1.925 6 2HB CYS 1 2HB CYS 433 9.272 -1.562 -1.562 7 H LYS 2 H LYS 434 6.826 -1.342 -1.342 8 HA LYS 2 HA LYS 434 6.774 -3.497 -3.497 9 1HB LYS 2 1HB LYS 434 4.340 -1.951 -1.951 10 2HB LYS 2 2HB LYS 434 4.571 -2.882 -2.882 11 1HG LYS 2 1HG LYS 434 5.690 -0.200 -0.200 12 2HG LYS 2 2HG LYS 434 4.616 -0.628 -0.628 13 1HD LYS 2 1HD LYS 434 6.441 -1.763 -1.763 14 2HD LYS 2 2HD LYS 434 7.522 -1.435 -1.435 15 1HE LYS 2 1HE LYS 434 6.284 0.571 0.571 16 2HE LYS 2 2HE LYS 434 8.001 0.179 0.179 17 1HZ LYS 2 1HZ LYS 434 6.392 1.500 1.500 18 2HZ LYS 2 2HZ LYS 434 7.413 2.195 2.195 19 3HZ LYS 2 3HZ LYS 434 7.836 1.170 1.170 20 H SER 3 H SER 435 6.033 -5.430 -5.430 21 HA SER 3 HA SER 435 5.236 -6.775 -6.775 22 1HB SER 3 1HB SER 435 4.499 -8.550 -8.550 23 2HB SER 3 2HB SER 435 6.181 -8.011 -8.011 24 HG SER 3 HG SER 435 5.091 -8.112 -8.112 25 HA HYP 4 HA HYP 436 1.001 -5.692 -5.692 26 1HB HYP 4 1HB HYP 436 1.033 -8.567 -8.567 27 2HB HYP 4 2HB HYP 436 0.223 -7.162 -7.162 28 HG HYP 4 HG HYP 436 2.586 -7.899 -7.899 29 HD1 HYP 4 HD1 HYP 436 3.303 -5.672 -5.672 30 1HD2 HYP 4 1HD2 HYP 436 4.253 -6.453 -6.453 31 2HD2 HYP 4 2HD2 HYP 436 3.904 -8.158 -8.158 32 H GLY 5 H GLY 437 -0.713 -5.768 -5.768 33 1HA GLY 5 1HA GLY 437 -2.286 -6.664 -6.664 34 2HA GLY 5 2HA GLY 437 -1.010 -7.757 -7.757 35 H SER 6 H SER 438 0.882 -5.376 -5.376 36 HA SER 6 HA SER 438 0.574 -4.797 -4.797 37 1HB SER 6 1HB SER 438 2.544 -3.588 -3.588 38 2HB SER 6 2HB SER 438 2.671 -3.601 -3.601 39 HG SER 6 HG SER 438 4.012 -5.295 -5.295 40 H SER 7 H SER 439 0.407 -2.906 -2.906 41 HA SER 7 HA SER 439 -1.427 -0.944 -0.944 42 1HB SER 7 1HB SER 439 -1.233 0.007 0.007 43 2HB SER 7 2HB SER 439 -1.673 -1.710 -1.710 44 HG SER 7 HG SER 439 -0.011 -1.230 -1.230 45 H CYS 8 H CYS 440 -1.219 0.597 0.597 46 HA CYS 8 HA CYS 440 1.211 2.215 2.215 47 1HB CYS 8 1HB CYS 440 0.964 2.217 2.217 48 2HB CYS 8 2HB CYS 440 1.219 0.585 0.585 49 H SER 9 H SER 441 0.941 4.243 4.243 50 HA SER 9 HA SER 441 -1.725 5.448 5.448 51 1HB SER 9 1HB SER 441 -0.070 6.689 6.689 52 2HB SER 9 2HB SER 441 0.966 6.853 6.853 53 HG SER 9 HG SER 441 -0.397 8.801 8.801 54 HA HYP 10 HA HYP 442 -1.854 6.073 6.073 55 1HB HYP 10 1HB HYP 442 -3.219 8.579 8.579 56 2HB HYP 10 2HB HYP 442 -3.894 7.049 7.049 57 HG HYP 10 HG HYP 442 -4.085 8.255 8.255 58 HD1 HYP 10 HD1 HYP 442 -5.813 6.523 6.523 59 1HD2 HYP 10 1HD2 HYP 442 -3.649 5.320 5.320 60 2HD2 HYP 10 2HD2 HYP 442 -3.114 6.619 6.619 61 H THR 11 H THR 443 -0.925 8.530 8.530 62 HA THR 11 HA THR 443 0.377 10.259 10.259 63 HB THR 11 HB THR 443 1.110 11.571 11.571 64 HG1 THR 11 HG1 THR 443 0.440 11.012 11.012 65 1HG2 THR 11 1HG2 THR 443 -1.784 10.761 10.761 66 2HG2 THR 11 2HG2 THR 443 -1.072 12.244 12.244 67 3HG2 THR 11 3HG2 THR 443 -1.083 11.968 11.968 68 H SER 12 H SER 444 1.403 7.407 7.407 69 HA SER 12 HA SER 444 4.197 8.002 8.002 70 1HB SER 12 1HB SER 444 4.768 6.070 6.070 71 2HB SER 12 2HB SER 444 4.097 7.486 7.486 72 HG SER 12 HG SER 444 3.109 5.459 5.459 73 H TYR 13 H TYR 445 1.678 5.931 5.931 74 HA TYR 13 HA TYR 445 1.596 3.934 3.934 75 1HB TYR 13 1HB TYR 445 2.977 5.890 5.890 76 2HB TYR 13 2HB TYR 445 2.548 4.263 4.263 77 HD1 TYR 13 HD2 TYR 445 -0.086 3.704 3.704 78 HD2 TYR 13 HD1 TYR 445 1.568 7.445 7.445 79 HE1 TYR 13 HE2 TYR 445 -2.393 4.506 4.506 80 HE2 TYR 13 HE1 TYR 445 -0.740 8.243 8.243 81 HH TYR 13 HH TYR 445 -3.665 6.126 6.126 82 H ASN 14 H ASN 446 3.597 3.646 3.646 83 HA ASN 14 HA ASN 446 6.203 2.886 2.886 84 1HB ASN 14 1HB ASN 446 6.506 2.469 2.469 85 2HB ASN 14 2HB ASN 446 5.917 4.098 4.098 86 1HD2 ASN 14 1HD2 ASN 446 5.576 1.925 1.925 87 2HD2 ASN 14 2HD2 ASN 446 3.988 2.091 2.091 88 H CYS 15 H CYS 447 4.257 1.280 1.280 89 HA CYS 15 HA CYS 447 4.434 -1.388 -1.388 90 1HB CYS 15 1HB CYS 447 2.519 -0.117 -0.117 91 2HB CYS 15 2HB CYS 447 2.423 -1.787 -1.787 92 H CYS 16 H CYS 448 4.988 -3.045 -3.045 93 HA CYS 16 HA CYS 448 6.575 -2.911 -2.911 94 1HB CYS 16 1HB CYS 448 5.056 -5.262 -5.262 95 2HB CYS 16 2HB CYS 448 6.388 -5.345 -5.345 96 H ARG 17 H ARG 449 3.155 -3.777 -3.777 97 HA ARG 17 HA ARG 449 2.773 -2.426 -2.426 98 1HB ARG 17 1HB ARG 449 1.082 -4.657 -4.657 99 2HB ARG 17 2HB ARG 449 0.680 -3.691 -3.691 100 1HG ARG 17 1HG ARG 449 2.577 -4.585 -4.585 101 2HG ARG 17 2HG ARG 449 3.171 -5.413 -5.413 102 1HD ARG 17 1HD ARG 449 0.493 -5.960 -5.960 103 2HD ARG 17 2HD ARG 449 1.958 -6.921 -6.921 104 HE ARG 17 HE ARG 449 1.707 -6.955 -6.955 105 1HH1 ARG 17 1HH2 ARG 449 -0.879 -7.552 -7.552 106 2HH1 ARG 17 2HH2 ARG 449 -1.533 -8.740 -8.740 107 1HH2 ARG 17 1HH1 ARG 449 0.731 -8.521 -8.521 108 2HH2 ARG 17 2HH1 ARG 449 -0.617 -9.290 -9.290 109 H SER 18 H SER 450 1.786 -0.652 -0.652 110 HA SER 18 HA SER 450 1.397 1.081 1.081 111 1HB SER 18 1HB SER 450 -0.837 0.587 0.587 112 2HB SER 18 2HB SER 450 -0.360 2.131 2.131 113 HG SER 18 HG SER 450 0.559 1.858 1.858 114 H CYS 19 H CYS 451 -0.112 2.086 2.086 115 HA CYS 19 HA CYS 451 -1.309 0.317 0.317 116 1HB CYS 19 1HB CYS 451 0.148 2.239 2.239 117 2HB CYS 19 2HB CYS 451 -1.063 3.338 3.338 118 H ASN 20 H ASN 452 -3.299 -0.206 -0.206 119 HA ASN 20 HA ASN 452 -5.425 0.943 0.943 120 1HB ASN 20 1HB ASN 452 -5.299 -1.478 -1.478 121 2HB ASN 20 2HB ASN 452 -5.555 -1.014 -1.014 122 1HD2 ASN 20 1HD2 ASN 452 -7.550 -2.089 -2.089 123 2HD2 ASN 20 2HD2 ASN 452 -8.925 -1.619 -1.619 124 HA HYP 21 HA HYP 453 -6.117 4.113 4.113 125 1HB HYP 21 1HB HYP 453 -8.428 4.637 4.637 126 2HB HYP 21 2HB HYP 453 -7.364 5.808 5.808 127 HG HYP 21 HG HYP 453 -6.972 5.247 5.247 128 HD1 HYP 21 HD1 HYP 453 -4.625 5.472 5.472 129 1HD2 HYP 21 1HD2 HYP 453 -5.160 3.176 3.176 130 2HD2 HYP 21 2HD2 HYP 453 -6.884 2.842 2.842 131 H TYR 22 H TYR 454 -8.652 2.076 2.076 132 HA TYR 22 HA TYR 454 -10.780 2.611 2.611 133 1HB TYR 22 1HB TYR 454 -11.014 1.407 1.407 134 2HB TYR 22 2HB TYR 454 -10.237 -0.008 -0.008 135 HD1 TYR 22 HD1 TYR 454 -12.909 2.421 2.421 136 HD2 TYR 22 HD2 TYR 454 -11.736 -1.707 -1.707 137 HE1 TYR 22 HE1 TYR 454 -15.073 1.657 1.657 138 HE2 TYR 22 HE2 TYR 454 -13.912 -2.470 -2.470 139 HH TYR 22 HH TYR 454 -15.942 -1.927 -1.927 140 H THR 23 H THR 455 -8.419 -0.006 -0.006 141 HA THR 23 HA THR 455 -9.271 -0.506 -0.506 142 HB THR 23 HB THR 455 -8.113 -2.657 -2.657 143 HG1 THR 23 HG1 THR 455 -7.485 -3.510 -3.510 144 1HG2 THR 23 1HG2 THR 455 -10.250 -2.258 -2.258 145 2HG2 THR 23 2HG2 THR 455 -9.756 -3.806 -3.806 146 3HG2 THR 23 3HG2 THR 455 -10.541 -2.582 -2.582 147 H LYS 24 H LYS 456 -6.901 1.265 1.265 148 HA LYS 24 HA LYS 456 -4.780 1.999 1.999 149 1HB LYS 24 1HB LYS 456 -5.826 1.219 1.219 150 2HB LYS 24 2HB LYS 456 -4.364 2.181 2.181 151 1HG LYS 24 1HG LYS 456 -7.017 3.049 3.049 152 2HG LYS 24 2HG LYS 456 -6.589 3.402 3.402 153 1HD LYS 24 1HD LYS 456 -4.606 4.625 4.625 154 2HD LYS 24 2HD LYS 456 -4.962 4.222 4.222 155 1HE LYS 24 1HE LYS 456 -7.059 5.619 5.619 156 2HE LYS 24 2HE LYS 456 -5.670 6.554 6.554 157 1HZ LYS 24 1HZ LYS 456 -7.457 5.047 5.047 158 2HZ LYS 24 2HZ LYS 456 -7.459 6.534 6.534 159 3HZ LYS 24 3HZ LYS 456 -6.287 5.834 5.834 160 H ARG 25 H ARG 457 -4.755 -0.486 -0.486 161 HA ARG 25 HA ARG 457 -2.371 -1.711 -1.711 162 1HB ARG 25 1HB ARG 457 -5.021 -3.041 -3.041 163 2HB ARG 25 2HB ARG 457 -3.512 -3.969 -3.969 164 1HG ARG 25 1HG ARG 457 -3.003 -3.351 -3.351 165 2HG ARG 25 2HG ARG 457 -4.469 -2.358 -2.358 166 1HD ARG 25 1HD ARG 457 -5.869 -4.188 -4.188 167 2HD ARG 25 2HD ARG 457 -4.753 -5.227 -5.227 168 HE ARG 25 HE ARG 457 -3.642 -5.687 -5.687 169 1HH1 ARG 25 1HH2 ARG 457 -6.394 -3.805 -3.805 170 2HH1 ARG 25 2HH2 ARG 457 -6.004 -3.777 -3.777 171 1HH2 ARG 25 1HH1 ARG 457 -3.346 -5.857 -5.857 172 2HH2 ARG 25 2HH1 ARG 457 -4.260 -4.968 -4.968 173 H CYS 26 H CYS 458 -0.985 -2.745 -2.745 174 HA CYS 26 HA CYS 458 -0.817 -1.703 -1.703 175 1HB CYS 26 1HB CYS 458 0.715 -4.009 -4.009 176 2HB CYS 26 2HB CYS 458 1.125 -3.189 -3.189 177 H TYR 27 H TYR 459 -1.369 -2.481 -2.481 178 HA TYR 27 HA TYR 459 -3.272 -4.561 -4.561 179 1HB TYR 27 1HB TYR 459 -1.761 -2.823 -2.823 180 2HB TYR 27 2HB TYR 459 -2.693 -4.211 -4.211 181 HD1 TYR 27 HD2 TYR 459 -5.166 -4.178 -4.178 182 HD2 TYR 27 HD1 TYR 459 -2.824 -0.901 -0.901 183 HE1 TYR 27 HE2 TYR 459 -7.277 -2.875 -2.875 184 HE2 TYR 27 HE1 TYR 459 -4.925 0.385 0.385 185 HH TYR 27 HH TYR 459 -8.187 -0.985 -0.985 186 1H NH2 28 1H1 TYR 459 -3.058 -6.493 -6.493 187 2H NH2 28 2H1 TYR 459 -1.636 -7.314 -7.314 Start of MODEL 18 1 1H CYS 1 1H CYS 460 10.852 -2.985 -2.985 2 2H CYS 1 2H CYS 460 10.938 -1.611 -1.611 3 3H CYS 1 3H CYS 460 10.942 -1.804 -1.804 4 HA CYS 1 HA CYS 460 8.771 -0.962 -0.962 5 1HB CYS 1 1HB CYS 460 7.446 -2.119 -2.119 6 2HB CYS 1 2HB CYS 460 9.036 -1.776 -1.776 7 H LYS 2 H LYS 461 6.900 -1.454 -1.454 8 HA LYS 2 HA LYS 461 6.882 -3.408 -3.408 9 1HB LYS 2 1HB LYS 461 4.843 -1.337 -1.337 10 2HB LYS 2 2HB LYS 461 4.644 -2.428 -2.428 11 1HG LYS 2 1HG LYS 461 6.817 -1.481 -1.481 12 2HG LYS 2 2HG LYS 461 6.698 -0.247 -0.247 13 1HD LYS 2 1HD LYS 461 4.501 -0.707 -0.707 14 2HD LYS 2 2HD LYS 461 5.879 0.356 0.356 15 1HE LYS 2 1HE LYS 461 4.152 1.786 1.786 16 2HE LYS 2 2HE LYS 461 5.217 1.627 1.627 17 1HZ LYS 2 1HZ LYS 461 2.725 0.162 0.162 18 2HZ LYS 2 2HZ LYS 461 2.904 1.311 1.311 19 3HZ LYS 2 3HZ LYS 461 3.622 0.029 0.029 20 H SER 3 H SER 462 5.829 -5.194 -5.194 21 HA SER 3 HA SER 462 5.172 -6.733 -6.733 22 1HB SER 3 1HB SER 462 5.817 -7.669 -7.669 23 2HB SER 3 2HB SER 462 4.256 -7.141 -7.141 24 HG SER 3 HG SER 462 4.229 -9.437 -9.437 25 HA HYP 4 HA HYP 463 0.878 -5.855 -5.855 26 1HB HYP 4 1HB HYP 463 1.119 -8.765 -8.765 27 2HB HYP 4 2HB HYP 463 0.258 -7.448 -7.448 28 HG HYP 4 HG HYP 463 2.667 -8.050 -8.050 29 HD1 HYP 4 HD1 HYP 463 3.317 -5.753 -5.753 30 1HD2 HYP 4 1HD2 HYP 463 4.299 -6.697 -6.697 31 2HD2 HYP 4 2HD2 HYP 463 3.807 -8.344 -8.344 32 H GLY 5 H GLY 464 -0.643 -5.843 -5.843 33 1HA GLY 5 1HA GLY 464 -2.071 -6.735 -6.735 34 2HA GLY 5 2HA GLY 464 -0.698 -7.737 -7.737 35 H SER 6 H SER 465 1.259 -5.643 -5.643 36 HA SER 6 HA SER 465 1.148 -4.695 -4.695 37 1HB SER 6 1HB SER 465 2.969 -3.950 -3.950 38 2HB SER 6 2HB SER 465 3.059 -3.181 -3.181 39 HG SER 6 HG SER 465 4.544 -5.033 -5.033 40 H SER 7 H SER 466 0.578 -2.921 -2.921 41 HA SER 7 HA SER 466 -1.300 -1.105 -1.105 42 1HB SER 7 1HB SER 466 0.627 -0.913 -0.913 43 2HB SER 7 2HB SER 466 -0.738 0.186 0.186 44 HG SER 7 HG SER 466 -1.308 -1.594 -1.594 45 H CYS 8 H CYS 467 -1.289 0.895 0.895 46 HA CYS 8 HA CYS 467 0.921 2.661 2.661 47 1HB CYS 8 1HB CYS 467 0.691 2.844 2.844 48 2HB CYS 8 2HB CYS 467 1.330 1.273 1.273 49 H SER 9 H SER 468 0.187 4.752 4.752 50 HA SER 9 HA SER 468 -2.655 5.292 5.292 51 1HB SER 9 1HB SER 468 -2.067 7.466 7.466 52 2HB SER 9 2HB SER 468 -0.574 6.637 6.637 53 HG SER 9 HG SER 468 -0.135 8.566 8.566 54 HA HYP 10 HA HYP 469 -3.716 6.350 6.350 55 1HB HYP 10 1HB HYP 469 -4.016 9.151 9.151 56 2HB HYP 10 2HB HYP 469 -5.059 8.303 8.303 57 HG HYP 10 HG HYP 469 -5.742 8.435 8.435 58 HD1 HYP 10 HD1 HYP 469 -6.849 6.347 6.347 59 1HD2 HYP 10 1HD2 HYP 469 -4.712 5.961 5.961 60 2HD2 HYP 10 2HD2 HYP 469 -3.976 7.502 7.502 61 H THR 11 H THR 470 -1.364 8.252 8.252 62 HA THR 11 HA THR 470 -0.178 9.219 9.219 63 HB THR 11 HB THR 470 -0.750 10.960 10.960 64 HG1 THR 11 HG1 THR 470 1.327 12.071 12.071 65 1HG2 THR 11 1HG2 THR 470 1.501 9.726 9.726 66 2HG2 THR 11 2HG2 THR 470 0.706 11.275 11.275 67 3HG2 THR 11 3HG2 THR 470 -0.207 9.763 9.763 68 H SER 12 H SER 471 0.301 6.713 6.713 69 HA SER 12 HA SER 471 3.234 6.716 6.716 70 1HB SER 12 1HB SER 471 1.469 4.912 4.912 71 2HB SER 12 2HB SER 471 3.225 5.115 5.115 72 HG SER 12 HG SER 471 2.077 6.306 6.306 73 H TYR 13 H TYR 472 2.625 6.282 6.282 74 HA TYR 13 HA TYR 472 1.926 3.658 3.658 75 1HB TYR 13 1HB TYR 472 3.167 6.009 6.009 76 2HB TYR 13 2HB TYR 472 2.634 4.514 4.514 77 HD1 TYR 13 HD1 TYR 472 0.170 3.795 3.795 78 HD2 TYR 13 HD2 TYR 472 1.664 7.810 7.810 79 HE1 TYR 13 HE1 TYR 472 -2.161 4.694 4.694 80 HE2 TYR 13 HE2 TYR 472 -0.669 8.710 8.710 81 HH TYR 13 HH TYR 472 -2.842 8.261 8.261 82 H ASN 14 H ASN 473 3.820 3.372 3.372 83 HA ASN 14 HA ASN 473 6.502 2.956 2.956 84 1HB ASN 14 1HB ASN 473 6.027 4.314 4.314 85 2HB ASN 14 2HB ASN 473 5.514 2.801 2.801 86 1HD2 ASN 14 1HD2 ASN 473 7.092 1.796 1.796 87 2HD2 ASN 14 2HD2 ASN 473 8.716 1.978 1.978 88 H CYS 15 H CYS 474 4.475 1.254 1.254 89 HA CYS 15 HA CYS 474 4.755 -1.275 -1.275 90 1HB CYS 15 1HB CYS 474 2.476 -0.168 -0.168 91 2HB CYS 15 2HB CYS 474 2.557 -1.838 -1.838 92 H CYS 16 H CYS 475 4.938 -3.108 -3.108 93 HA CYS 16 HA CYS 475 6.381 -3.214 -3.214 94 1HB CYS 16 1HB CYS 475 4.825 -5.424 -5.424 95 2HB CYS 16 2HB CYS 475 6.081 -5.640 -5.640 96 H ARG 17 H ARG 476 2.930 -3.910 -3.910 97 HA ARG 17 HA ARG 476 2.729 -3.232 -3.232 98 1HB ARG 17 1HB ARG 476 1.051 -5.127 -5.127 99 2HB ARG 17 2HB ARG 476 0.577 -4.427 -4.427 100 1HG ARG 17 1HG ARG 476 2.733 -5.258 -5.258 101 2HG ARG 17 2HG ARG 476 3.053 -6.075 -6.075 102 1HD ARG 17 1HD ARG 476 0.582 -6.544 -6.544 103 2HD ARG 17 2HD ARG 476 2.045 -7.539 -7.539 104 HE ARG 17 HE ARG 476 1.154 -7.391 -7.391 105 1HH1 ARG 17 1HH2 ARG 476 0.248 -8.930 -8.930 106 2HH1 ARG 17 2HH2 ARG 476 -0.493 -10.201 -10.201 107 1HH2 ARG 17 1HH1 ARG 476 0.061 -9.139 -9.139 108 2HH2 ARG 17 2HH1 ARG 476 -0.599 -10.320 -10.320 109 H SER 18 H SER 477 2.831 -1.243 -1.243 110 HA SER 18 HA SER 477 2.014 0.817 0.817 111 1HB SER 18 1HB SER 477 1.549 0.916 0.916 112 2HB SER 18 2HB SER 477 -0.087 0.309 0.309 113 HG SER 18 HG SER 477 -0.035 2.688 2.688 114 H CYS 19 H CYS 478 0.216 1.954 1.954 115 HA CYS 19 HA CYS 478 -1.026 0.380 0.380 116 1HB CYS 19 1HB CYS 478 0.185 2.590 2.590 117 2HB CYS 19 2HB CYS 478 -1.202 3.377 3.377 118 H ASN 20 H ASN 479 -3.146 -0.122 -0.122 119 HA ASN 20 HA ASN 479 -5.146 1.097 1.097 120 1HB ASN 20 1HB ASN 479 -5.304 -1.330 -1.330 121 2HB ASN 20 2HB ASN 479 -5.651 -0.740 -0.740 122 1HD2 ASN 20 1HD2 ASN 479 -7.906 -1.110 -1.110 123 2HD2 ASN 20 2HD2 ASN 479 -9.048 -0.565 -0.565 124 HA HYP 21 HA HYP 480 -5.222 4.454 4.454 125 1HB HYP 21 1HB HYP 480 -7.388 5.329 5.329 126 2HB HYP 21 2HB HYP 480 -6.124 6.310 6.310 127 HG HYP 21 HG HYP 480 -5.654 5.646 5.646 128 HD1 HYP 21 HD1 HYP 480 -3.395 5.054 5.054 129 1HD2 HYP 21 1HD2 HYP 480 -4.709 3.081 3.081 130 2HD2 HYP 21 2HD2 HYP 480 -6.470 3.272 3.272 131 H TYR 22 H TYR 481 -8.046 2.897 2.897 132 HA TYR 22 HA TYR 481 -10.073 3.758 3.758 133 1HB TYR 22 1HB TYR 481 -9.938 1.115 1.115 134 2HB TYR 22 2HB TYR 481 -11.388 1.947 1.947 135 HD1 TYR 22 HD2 TYR 481 -12.185 4.057 4.057 136 HD2 TYR 22 HD1 TYR 481 -8.876 1.692 1.692 137 HE1 TYR 22 HE2 TYR 481 -12.147 5.431 5.431 138 HE2 TYR 22 HE1 TYR 481 -8.813 3.079 3.079 139 HH TYR 22 HH TYR 481 -11.188 5.854 5.854 140 H THR 23 H THR 482 -8.137 0.771 0.771 141 HA THR 23 HA THR 482 -9.258 0.239 0.239 142 HB THR 23 HB THR 482 -8.519 -2.069 -2.069 143 HG1 THR 23 HG1 THR 482 -7.847 -2.853 -2.853 144 1HG2 THR 23 1HG2 THR 482 -10.303 -1.100 -1.100 145 2HG2 THR 23 2HG2 THR 482 -10.211 -2.760 -2.760 146 3HG2 THR 23 3HG2 THR 482 -10.831 -1.466 -1.466 147 H LYS 24 H LYS 483 -6.578 1.519 1.519 148 HA LYS 24 HA LYS 483 -4.545 2.203 2.203 149 1HB LYS 24 1HB LYS 483 -5.960 1.772 1.772 150 2HB LYS 24 2HB LYS 483 -4.297 2.382 2.382 151 1HG LYS 24 1HG LYS 483 -4.910 4.271 4.271 152 2HG LYS 24 2HG LYS 483 -6.438 3.542 3.542 153 1HD LYS 24 1HD LYS 483 -5.955 4.217 4.217 154 2HD LYS 24 2HD LYS 483 -6.499 5.450 5.450 155 1HE LYS 24 1HE LYS 483 -7.951 2.816 2.816 156 2HE LYS 24 2HE LYS 483 -8.343 4.284 4.284 157 1HZ LYS 24 1HZ LYS 483 -8.451 4.100 4.100 158 2HZ LYS 24 2HZ LYS 483 -9.658 4.134 4.134 159 3HZ LYS 24 3HZ LYS 483 -8.780 5.335 5.335 160 H ARG 25 H ARG 484 -4.511 -0.359 -0.359 161 HA ARG 25 HA ARG 484 -2.203 -1.599 -1.599 162 1HB ARG 25 1HB ARG 484 -4.673 -3.046 -3.046 163 2HB ARG 25 2HB ARG 484 -3.154 -3.847 -3.847 164 1HG ARG 25 1HG ARG 484 -3.351 -3.167 -3.167 165 2HG ARG 25 2HG ARG 484 -4.705 -2.087 -2.087 166 1HD ARG 25 1HD ARG 484 -5.997 -4.150 -4.150 167 2HD ARG 25 2HD ARG 484 -4.686 -5.114 -5.114 168 HE ARG 25 HE ARG 484 -6.000 -3.085 -3.085 169 1HH1 ARG 25 1HH2 ARG 484 -5.041 -6.387 -6.387 170 2HH1 ARG 25 2HH2 ARG 484 -5.780 -6.824 -6.824 171 1HH2 ARG 25 1HH1 ARG 484 -6.767 -3.732 -3.732 172 2HH2 ARG 25 2HH1 ARG 484 -6.751 -5.328 -5.328 173 H CYS 26 H CYS 485 -0.797 -2.658 -2.658 174 HA CYS 26 HA CYS 485 -0.559 -1.780 -1.780 175 1HB CYS 26 1HB CYS 485 0.798 -4.137 -4.137 176 2HB CYS 26 2HB CYS 485 1.306 -3.288 -3.288 177 H TYR 27 H TYR 486 -1.216 -2.687 -2.687 178 HA TYR 27 HA TYR 486 -3.203 -4.691 -4.691 179 1HB TYR 27 1HB TYR 486 -1.474 -3.416 -3.416 180 2HB TYR 27 2HB TYR 486 -2.829 -4.509 -4.509 181 HD1 TYR 27 HD1 TYR 486 -5.184 -3.755 -3.755 182 HD2 TYR 27 HD2 TYR 486 -1.796 -1.162 -1.162 183 HE1 TYR 27 HE1 TYR 486 -6.749 -1.881 -1.881 184 HE2 TYR 27 HE2 TYR 486 -3.348 0.700 0.700 185 HH TYR 27 HH TYR 486 -5.379 1.489 1.489 186 1H NH2 28 1H1 TYR 486 -3.053 -6.843 -6.843 187 2H NH2 28 2H1 TYR 486 -1.635 -7.653 -7.653 Start of MODEL 19 1 1H CYS 1 1H CYS 487 11.192 -1.804 -1.804 2 2H CYS 1 2H CYS 487 10.922 -2.433 -2.433 3 3H CYS 1 3H CYS 487 10.788 -3.237 -3.237 4 HA CYS 1 HA CYS 487 9.026 -1.006 -1.006 5 1HB CYS 1 1HB CYS 487 7.694 -1.728 -1.728 6 2HB CYS 1 2HB CYS 487 9.316 -1.162 -1.162 7 H LYS 2 H LYS 488 6.967 -1.337 -1.337 8 HA LYS 2 HA LYS 488 6.579 -3.451 -3.451 9 1HB LYS 2 1HB LYS 488 4.725 -1.309 -1.309 10 2HB LYS 2 2HB LYS 488 4.224 -2.630 -2.630 11 1HG LYS 2 1HG LYS 488 4.782 -0.943 -0.943 12 2HG LYS 2 2HG LYS 488 6.253 -1.930 -1.930 13 1HD LYS 2 1HD LYS 488 7.332 -0.379 -0.379 14 2HD LYS 2 2HD LYS 488 5.832 0.540 0.540 15 1HE LYS 2 1HE LYS 488 5.905 1.078 1.078 16 2HE LYS 2 2HE LYS 488 7.505 0.321 0.321 17 1HZ LYS 2 1HZ LYS 488 6.832 2.578 2.578 18 2HZ LYS 2 2HZ LYS 488 7.667 2.698 2.698 19 3HZ LYS 2 3HZ LYS 488 8.180 1.942 1.942 20 H SER 3 H SER 489 5.517 -5.248 -5.248 21 HA SER 3 HA SER 489 5.180 -6.587 -6.587 22 1HB SER 3 1HB SER 489 4.226 -8.423 -8.423 23 2HB SER 3 2HB SER 489 5.846 -7.860 -7.860 24 HG SER 3 HG SER 489 4.431 -8.086 -8.086 25 HA HYP 4 HA HYP 490 0.916 -5.805 -5.805 26 1HB HYP 4 1HB HYP 490 1.472 -8.612 -8.612 27 2HB HYP 4 2HB HYP 490 0.624 -7.287 -7.287 28 HG HYP 4 HG HYP 490 3.102 -7.764 -7.764 29 HD1 HYP 4 HD1 HYP 490 3.701 -5.485 -5.485 30 1HD2 HYP 4 1HD2 HYP 490 4.400 -6.134 -6.134 31 2HD2 HYP 4 2HD2 HYP 490 4.220 -7.874 -7.874 32 H GLY 5 H GLY 491 -0.656 -5.917 -5.917 33 1HA GLY 5 1HA GLY 491 -2.256 -7.143 -7.143 34 2HA GLY 5 2HA GLY 491 -0.870 -8.077 -8.077 35 H SER 6 H SER 492 0.847 -5.861 -5.861 36 HA SER 6 HA SER 492 0.233 -5.193 -5.193 37 1HB SER 6 1HB SER 492 2.476 -4.338 -4.338 38 2HB SER 6 2HB SER 492 2.336 -3.810 -3.810 39 HG SER 6 HG SER 492 3.696 -5.744 -5.744 40 H SER 7 H SER 493 0.239 -3.179 -3.179 41 HA SER 7 HA SER 493 -1.433 -1.169 -1.169 42 1HB SER 7 1HB SER 493 0.128 -1.114 -1.114 43 2HB SER 7 2HB SER 493 -1.179 -0.015 -0.015 44 HG SER 7 HG SER 493 -1.974 -1.788 -1.788 45 H CYS 8 H CYS 494 -1.006 0.607 0.607 46 HA CYS 8 HA CYS 494 1.639 1.761 1.761 47 1HB CYS 8 1HB CYS 494 1.112 1.849 1.849 48 2HB CYS 8 2HB CYS 494 1.391 0.219 0.219 49 H SER 9 H SER 495 1.491 3.830 3.830 50 HA SER 9 HA SER 495 -0.905 5.345 5.345 51 1HB SER 9 1HB SER 495 0.641 6.460 6.460 52 2HB SER 9 2HB SER 495 1.962 5.946 5.946 53 HG SER 9 HG SER 495 1.542 8.280 8.280 54 HA HYP 10 HA HYP 496 -1.801 5.943 5.943 55 1HB HYP 10 1HB HYP 496 -3.729 7.758 7.758 56 2HB HYP 10 2HB HYP 496 -3.993 6.887 6.887 57 HG HYP 10 HG HYP 496 -4.867 5.668 5.668 58 HD1 HYP 10 HD1 HYP 496 -3.955 3.552 3.552 59 1HD2 HYP 10 1HD2 HYP 496 -2.590 4.534 4.534 60 2HD2 HYP 10 2HD2 HYP 496 -2.993 6.189 6.189 61 H THR 11 H THR 497 -1.071 8.516 8.516 62 HA THR 11 HA THR 497 -0.460 10.500 10.500 63 HB THR 11 HB THR 497 -1.145 11.155 11.155 64 HG1 THR 11 HG1 THR 497 0.396 12.968 12.968 65 1HG2 THR 11 1HG2 THR 497 1.590 10.378 10.378 66 2HG2 THR 11 2HG2 THR 497 0.419 11.372 11.372 67 3HG2 THR 11 3HG2 THR 497 0.048 9.678 9.678 68 H SER 12 H SER 498 1.066 7.675 7.675 69 HA SER 12 HA SER 498 3.540 8.640 8.640 70 1HB SER 12 1HB SER 498 4.830 7.005 7.005 71 2HB SER 12 2HB SER 498 4.282 8.537 8.537 72 HG SER 12 HG SER 498 3.850 6.692 6.692 73 H TYR 13 H TYR 499 1.432 5.874 5.874 74 HA TYR 13 HA TYR 499 1.256 3.833 3.833 75 1HB TYR 13 1HB TYR 499 2.401 5.553 5.553 76 2HB TYR 13 2HB TYR 499 1.790 3.908 3.908 77 HD1 TYR 13 HD2 TYR 499 -0.639 3.475 3.475 78 HD2 TYR 13 HD1 TYR 499 0.934 7.339 7.339 79 HE1 TYR 13 HE2 TYR 499 -2.955 4.407 4.407 80 HE2 TYR 13 HE1 TYR 499 -1.401 8.256 8.256 81 HH TYR 13 HH TYR 499 -4.250 6.101 6.101 82 H ASN 14 H ASN 500 3.056 3.649 3.649 83 HA ASN 14 HA ASN 500 5.665 3.006 3.006 84 1HB ASN 14 1HB ASN 500 6.307 2.949 2.949 85 2HB ASN 14 2HB ASN 500 5.654 4.478 4.478 86 1HD2 ASN 14 1HD2 ASN 500 5.634 2.570 2.570 87 2HD2 ASN 14 2HD2 ASN 500 4.171 2.944 2.944 88 H CYS 15 H CYS 501 3.761 1.084 1.084 89 HA CYS 15 HA CYS 501 4.481 -1.355 -1.355 90 1HB CYS 15 1HB CYS 501 2.350 -0.918 -0.918 91 2HB CYS 15 2HB CYS 501 2.640 -2.415 -2.415 92 H CYS 16 H CYS 502 5.131 -3.145 -3.145 93 HA CYS 16 HA CYS 502 6.907 -2.779 -2.779 94 1HB CYS 16 1HB CYS 502 5.443 -5.246 -5.246 95 2HB CYS 16 2HB CYS 502 6.797 -5.178 -5.178 96 H ARG 17 H ARG 503 3.408 -3.406 -3.406 97 HA ARG 17 HA ARG 503 3.567 -2.496 -2.496 98 1HB ARG 17 1HB ARG 503 1.388 -3.953 -3.953 99 2HB ARG 17 2HB ARG 503 1.117 -3.186 -3.186 100 1HG ARG 17 1HG ARG 503 2.658 -4.654 -4.654 101 2HG ARG 17 2HG ARG 503 3.313 -5.231 -5.231 102 1HD ARG 17 1HD ARG 503 1.189 -6.291 -6.291 103 2HD ARG 17 2HD ARG 503 0.441 -5.622 -5.622 104 HE ARG 17 HE ARG 503 2.739 -7.389 -7.389 105 1HH1 ARG 17 1HH1 ARG 503 -0.646 -6.904 -6.904 106 2HH1 ARG 17 2HH1 ARG 503 -0.765 -8.242 -8.242 107 1HH2 ARG 17 1HH2 ARG 503 2.459 -9.246 -9.246 108 2HH2 ARG 17 2HH2 ARG 503 0.997 -9.574 -9.574 109 H SER 18 H SER 504 0.977 -1.922 -1.922 110 HA SER 18 HA SER 504 1.376 0.922 0.922 111 1HB SER 18 1HB SER 504 -0.813 -0.265 -0.265 112 2HB SER 18 2HB SER 504 -1.085 1.260 1.260 113 HG SER 18 HG SER 504 -0.313 1.620 1.620 114 H CYS 19 H CYS 505 -0.096 1.960 1.960 115 HA CYS 19 HA CYS 505 -1.263 0.244 0.244 116 1HB CYS 19 1HB CYS 505 0.156 2.308 2.308 117 2HB CYS 19 2HB CYS 505 -1.192 3.282 3.282 118 H ASN 20 H ASN 506 -3.391 -0.020 -0.020 119 HA ASN 20 HA ASN 506 -5.314 1.093 1.093 120 1HB ASN 20 1HB ASN 506 -5.498 -1.290 -1.290 121 2HB ASN 20 2HB ASN 506 -5.690 -0.914 -0.914 122 1HD2 ASN 20 1HD2 ASN 506 -7.706 -1.950 -1.950 123 2HD2 ASN 20 2HD2 ASN 506 -9.076 -1.319 -1.319 124 HA HYP 21 HA HYP 507 -6.218 4.430 4.430 125 1HB HYP 21 1HB HYP 507 -8.372 4.698 4.698 126 2HB HYP 21 2HB HYP 507 -7.440 5.978 5.978 127 HG HYP 21 HG HYP 507 -6.583 5.241 5.241 128 HD1 HYP 21 HD1 HYP 507 -4.274 5.186 5.186 129 1HD2 HYP 21 1HD2 HYP 507 -5.192 3.013 3.013 130 2HD2 HYP 21 2HD2 HYP 507 -6.947 2.868 2.868 131 H TYR 22 H TYR 508 -8.585 2.122 2.122 132 HA TYR 22 HA TYR 508 -10.600 2.908 2.908 133 1HB TYR 22 1HB TYR 508 -10.512 0.284 0.284 134 2HB TYR 22 2HB TYR 508 -11.928 1.146 1.146 135 HD1 TYR 22 HD2 TYR 508 -11.227 3.957 3.957 136 HD2 TYR 22 HD1 TYR 508 -11.231 -0.078 -0.078 137 HE1 TYR 22 HE2 TYR 508 -11.011 4.875 4.875 138 HE2 TYR 22 HE1 TYR 508 -11.038 0.825 0.825 139 HH TYR 22 HH TYR 508 -10.803 4.475 4.475 140 H THR 23 H THR 509 -8.035 0.594 0.594 141 HA THR 23 HA THR 509 -9.050 -0.168 -0.168 142 HB THR 23 HB THR 509 -7.903 -2.355 -2.355 143 HG1 THR 23 HG1 THR 509 -7.165 -3.010 -3.010 144 1HG2 THR 23 1HG2 THR 509 -9.923 -1.772 -1.772 145 2HG2 THR 23 2HG2 THR 509 -9.480 -3.378 -3.378 146 3HG2 THR 23 3HG2 THR 509 -10.312 -2.232 -2.232 147 H LYS 24 H LYS 510 -6.721 1.578 1.578 148 HA LYS 24 HA LYS 510 -4.531 2.142 2.142 149 1HB LYS 24 1HB LYS 510 -5.505 2.049 2.049 150 2HB LYS 24 2HB LYS 510 -3.842 2.504 2.504 151 1HG LYS 24 1HG LYS 510 -4.711 4.114 4.114 152 2HG LYS 24 2HG LYS 510 -6.368 3.677 3.677 153 1HD LYS 24 1HD LYS 510 -6.097 4.639 4.639 154 2HD LYS 24 2HD LYS 510 -4.360 4.878 4.878 155 1HE LYS 24 1HE LYS 510 -5.549 6.997 6.997 156 2HE LYS 24 2HE LYS 510 -4.868 6.474 6.474 157 1HZ LYS 24 1HZ LYS 510 -7.669 6.179 6.179 158 2HZ LYS 24 2HZ LYS 510 -7.157 7.191 7.191 159 3HZ LYS 24 3HZ LYS 510 -7.095 5.739 5.739 160 H ARG 25 H ARG 511 -4.883 -0.508 -0.508 161 HA ARG 25 HA ARG 511 -2.507 -1.835 -1.835 162 1HB ARG 25 1HB ARG 511 -5.231 -2.958 -2.958 163 2HB ARG 25 2HB ARG 511 -3.815 -3.999 -3.999 164 1HG ARG 25 1HG ARG 511 -3.026 -3.606 -3.606 165 2HG ARG 25 2HG ARG 511 -4.062 -2.183 -2.183 166 1HD ARG 25 1HD ARG 511 -5.526 -4.709 -4.709 167 2HD ARG 25 2HD ARG 511 -4.612 -4.655 -4.655 168 HE ARG 25 HE ARG 511 -6.225 -2.334 -2.334 169 1HH1 ARG 25 1HH2 ARG 511 -6.020 -5.155 -5.155 170 2HH1 ARG 25 2HH2 ARG 511 -7.225 -4.662 -4.662 171 1HH2 ARG 25 1HH1 ARG 511 -7.858 -1.720 -1.720 172 2HH2 ARG 25 2HH1 ARG 511 -8.276 -2.694 -2.694 173 H CYS 26 H CYS 512 -1.331 -3.004 -3.004 174 HA CYS 26 HA CYS 512 -0.981 -1.951 -1.951 175 1HB CYS 26 1HB CYS 512 0.259 -4.365 -4.365 176 2HB CYS 26 2HB CYS 512 0.809 -3.631 -3.631 177 H TYR 27 H TYR 513 -1.826 -2.534 -2.534 178 HA TYR 27 HA TYR 513 -2.994 -4.985 -4.985 179 1HB TYR 27 1HB TYR 513 -1.581 -2.802 -2.802 180 2HB TYR 27 2HB TYR 513 -2.461 -4.153 -4.153 181 HD1 TYR 27 HD1 TYR 513 -4.899 -4.149 -4.149 182 HD2 TYR 27 HD2 TYR 513 -2.734 -1.014 -1.014 183 HE1 TYR 27 HE1 TYR 513 -7.030 -2.870 -2.870 184 HE2 TYR 27 HE2 TYR 513 -4.878 0.275 0.275 185 HH TYR 27 HH TYR 513 -6.981 0.480 0.480 186 1H NH2 28 1H1 TYR 513 -1.973 -6.561 -6.561 187 2H NH2 28 2H1 TYR 513 -0.364 -6.894 -6.894 Start of MODEL 20 1 1H CYS 1 1H CYS 514 10.763 -1.230 -1.230 2 2H CYS 1 2H CYS 514 10.660 -1.702 -1.702 3 3H CYS 1 3H CYS 514 10.560 -2.679 -2.679 4 HA CYS 1 HA CYS 514 8.552 -0.612 -0.612 5 1HB CYS 1 1HB CYS 514 7.262 -1.645 -1.645 6 2HB CYS 1 2HB CYS 514 8.851 -1.132 -1.132 7 H LYS 2 H LYS 515 6.736 -1.077 -1.077 8 HA LYS 2 HA LYS 515 6.698 -3.294 -3.294 9 1HB LYS 2 1HB LYS 515 4.591 -1.210 -1.210 10 2HB LYS 2 2HB LYS 515 4.386 -2.483 -2.483 11 1HG LYS 2 1HG LYS 515 6.489 -1.633 -1.633 12 2HG LYS 2 2HG LYS 515 6.465 -0.268 -0.268 13 1HD LYS 2 1HD LYS 515 4.186 0.311 0.311 14 2HD LYS 2 2HD LYS 515 4.302 -1.001 -1.001 15 1HE LYS 2 1HE LYS 515 4.809 1.092 1.092 16 2HE LYS 2 2HE LYS 515 6.296 0.136 0.136 17 1HZ LYS 2 1HZ LYS 515 5.624 2.329 2.329 18 2HZ LYS 2 2HZ LYS 515 6.655 2.421 2.421 19 3HZ LYS 2 3HZ LYS 515 6.876 1.524 1.524 20 H SER 3 H SER 516 6.039 -5.083 -5.083 21 HA SER 3 HA SER 516 5.544 -6.522 -6.522 22 1HB SER 3 1HB SER 516 4.614 -7.327 -7.327 23 2HB SER 3 2HB SER 516 5.218 -8.384 -8.384 24 HG SER 3 HG SER 516 6.857 -8.025 -8.025 25 HA HYP 4 HA HYP 517 1.182 -6.061 -6.061 26 1HB HYP 4 1HB HYP 517 1.527 -9.027 -9.027 27 2HB HYP 4 2HB HYP 517 0.649 -7.804 -7.804 28 HG HYP 4 HG HYP 517 3.094 -8.417 -8.417 29 HD1 HYP 4 HD1 HYP 517 3.682 -6.138 -6.138 30 1HD2 HYP 4 1HD2 HYP 517 4.648 -6.843 -6.843 31 2HD2 HYP 4 2HD2 HYP 517 4.241 -8.477 -8.477 32 H GLY 5 H GLY 518 -0.593 -6.171 -6.171 33 1HA GLY 5 1HA GLY 518 -2.174 -6.976 -6.976 34 2HA GLY 5 2HA GLY 518 -0.888 -7.961 -7.961 35 H SER 6 H SER 519 1.002 -5.742 -5.742 36 HA SER 6 HA SER 519 0.650 -5.023 -5.023 37 1HB SER 6 1HB SER 519 2.453 -3.603 -3.603 38 2HB SER 6 2HB SER 519 2.570 -3.563 -3.563 39 HG SER 6 HG SER 519 4.161 -5.043 -5.043 40 H SER 7 H SER 520 0.115 -3.284 -3.284 41 HA SER 7 HA SER 520 -1.533 -1.221 -1.221 42 1HB SER 7 1HB SER 520 -1.108 -0.236 -0.236 43 2HB SER 7 2HB SER 520 -1.863 -1.838 -1.838 44 HG SER 7 HG SER 520 -0.120 -1.746 -1.746 45 H CYS 8 H CYS 521 -1.016 0.522 0.522 46 HA CYS 8 HA CYS 521 1.645 1.755 1.755 47 1HB CYS 8 1HB CYS 521 1.319 2.210 2.210 48 2HB CYS 8 2HB CYS 521 0.501 0.646 0.646 49 H SER 9 H SER 522 1.372 4.030 4.030 50 HA SER 9 HA SER 522 -0.880 5.596 5.596 51 1HB SER 9 1HB SER 522 1.054 6.683 6.683 52 2HB SER 9 2HB SER 522 2.028 6.135 6.135 53 HG SER 9 HG SER 522 1.628 8.474 8.474 54 HA HYP 10 HA HYP 523 -2.321 5.227 5.227 55 1HB HYP 10 1HB HYP 523 -3.758 7.696 7.696 56 2HB HYP 10 2HB HYP 523 -4.387 6.467 6.467 57 HG HYP 10 HG HYP 523 -4.954 6.209 6.209 58 HD1 HYP 10 HD1 HYP 523 -4.751 3.847 3.847 59 1HD2 HYP 10 1HD2 HYP 523 -2.782 4.765 4.765 60 2HD2 HYP 10 2HD2 HYP 523 -2.872 6.521 6.521 61 H THR 11 H THR 524 -1.473 8.478 8.478 62 HA THR 11 HA THR 524 -1.023 9.500 9.500 63 HB THR 11 HB THR 524 0.079 11.400 11.400 64 HG1 THR 11 HG1 THR 524 -0.347 11.456 11.456 65 1HG2 THR 11 1HG2 THR 524 -2.769 10.619 10.619 66 2HG2 THR 11 2HG2 THR 524 -2.084 12.249 12.249 67 3HG2 THR 11 3HG2 THR 524 -2.276 11.465 11.465 68 H SER 12 H SER 525 1.085 7.926 7.926 69 HA SER 12 HA SER 525 3.558 8.633 8.633 70 1HB SER 12 1HB SER 525 3.065 6.682 6.682 71 2HB SER 12 2HB SER 525 4.640 7.284 7.284 72 HG SER 12 HG SER 525 3.862 8.458 8.458 73 H TYR 13 H TYR 526 1.322 6.133 6.133 74 HA TYR 13 HA TYR 526 1.309 4.036 4.036 75 1HB TYR 13 1HB TYR 526 2.754 5.835 5.835 76 2HB TYR 13 2HB TYR 526 2.223 4.190 4.190 77 HD1 TYR 13 HD2 TYR 526 -0.267 3.627 3.627 78 HD2 TYR 13 HD1 TYR 526 1.304 7.668 7.668 79 HE1 TYR 13 HE2 TYR 526 -2.552 4.539 4.539 80 HE2 TYR 13 HE1 TYR 526 -0.996 8.584 8.584 81 HH TYR 13 HH TYR 526 -3.846 6.333 6.333 82 H ASN 14 H ASN 527 3.048 3.851 3.851 83 HA ASN 14 HA ASN 527 5.690 2.999 2.999 84 1HB ASN 14 1HB ASN 527 5.851 2.636 2.636 85 2HB ASN 14 2HB ASN 527 5.548 4.299 4.299 86 1HD2 ASN 14 1HD2 ASN 527 4.704 2.166 2.166 87 2HD2 ASN 14 2HD2 ASN 527 3.204 2.720 2.720 88 H CYS 15 H CYS 528 3.826 1.387 1.387 89 HA CYS 15 HA CYS 528 4.422 -1.257 -1.257 90 1HB CYS 15 1HB CYS 528 1.994 -0.277 -0.277 91 2HB CYS 15 2HB CYS 528 2.281 -1.967 -1.967 92 H CYS 16 H CYS 529 4.838 -2.891 -2.891 93 HA CYS 16 HA CYS 529 6.361 -2.612 -2.612 94 1HB CYS 16 1HB CYS 529 4.938 -5.073 -5.073 95 2HB CYS 16 2HB CYS 529 6.311 -4.955 -4.955 96 H ARG 17 H ARG 530 3.087 -4.063 -4.063 97 HA ARG 17 HA ARG 530 2.761 -3.486 -3.486 98 1HB ARG 17 1HB ARG 530 1.214 -5.212 -5.212 99 2HB ARG 17 2HB ARG 530 0.696 -4.860 -4.860 100 1HG ARG 17 1HG ARG 530 2.625 -5.979 -5.979 101 2HG ARG 17 2HG ARG 530 3.343 -6.161 -6.161 102 1HD ARG 17 1HD ARG 530 2.293 -8.261 -8.261 103 2HD ARG 17 2HD ARG 530 1.494 -7.623 -7.623 104 HE ARG 17 HE ARG 530 0.208 -6.750 -6.750 105 1HH1 ARG 17 1HH2 ARG 530 0.404 -9.635 -9.635 106 2HH1 ARG 17 2HH2 ARG 530 -1.120 -10.121 -10.121 107 1HH2 ARG 17 1HH1 ARG 530 -1.819 -7.516 -7.516 108 2HH2 ARG 17 2HH1 ARG 530 -2.394 -8.908 -8.908 109 H SER 18 H SER 531 2.663 -1.323 -1.323 110 HA SER 18 HA SER 531 1.609 0.601 0.601 111 1HB SER 18 1HB SER 531 1.033 0.612 0.612 112 2HB SER 18 2HB SER 531 -0.482 -0.212 -0.212 113 HG SER 18 HG SER 531 -0.785 2.138 2.138 114 H CYS 19 H CYS 532 -0.277 1.566 1.566 115 HA CYS 19 HA CYS 532 -1.479 -0.333 -0.333 116 1HB CYS 19 1HB CYS 532 0.138 1.449 1.449 117 2HB CYS 19 2HB CYS 532 -1.163 2.609 2.609 118 H ASN 20 H ASN 533 -3.543 -0.340 -0.340 119 HA ASN 20 HA ASN 533 -5.542 0.868 0.868 120 1HB ASN 20 1HB ASN 533 -5.777 -1.407 -1.407 121 2HB ASN 20 2HB ASN 533 -5.812 -0.849 -0.849 122 1HD2 ASN 20 1HD2 ASN 533 -7.901 -2.261 -2.261 123 2HD2 ASN 20 2HD2 ASN 533 -9.263 -1.349 -1.349 124 HA HYP 21 HA HYP 534 -5.523 4.624 4.624 125 1HB HYP 21 1HB HYP 534 -7.899 5.214 5.214 126 2HB HYP 21 2HB HYP 534 -6.473 6.216 6.216 127 HG HYP 21 HG HYP 534 -6.711 4.986 4.986 128 HD1 HYP 21 HD1 HYP 534 -4.369 4.667 4.667 129 1HD2 HYP 21 1HD2 HYP 534 -5.378 2.650 2.650 130 2HD2 HYP 21 2HD2 HYP 534 -7.140 2.732 2.732 131 H TYR 22 H TYR 535 -8.450 2.775 2.775 132 HA TYR 22 HA TYR 535 -10.082 3.891 3.891 133 1HB TYR 22 1HB TYR 535 -10.161 1.223 1.223 134 2HB TYR 22 2HB TYR 535 -11.394 1.730 1.730 135 HD1 TYR 22 HD1 TYR 535 -12.736 3.863 3.863 136 HD2 TYR 22 HD2 TYR 535 -10.289 1.819 1.819 137 HE1 TYR 22 HE1 TYR 535 -13.762 5.260 5.260 138 HE2 TYR 22 HE2 TYR 535 -11.346 3.196 3.196 139 HH TYR 22 HH TYR 535 -12.443 4.996 4.996 140 H THR 23 H THR 536 -7.968 1.101 1.101 141 HA THR 23 HA THR 536 -8.953 0.192 0.192 142 HB THR 23 HB THR 536 -7.912 -1.965 -1.965 143 HG1 THR 23 HG1 THR 536 -6.914 -2.278 -2.278 144 1HG2 THR 23 1HG2 THR 536 -9.638 -1.004 -1.004 145 2HG2 THR 23 2HG2 THR 536 -9.261 -2.688 -2.688 146 3HG2 THR 23 3HG2 THR 536 -10.173 -1.687 -1.687 147 H LYS 24 H LYS 537 -6.306 1.773 1.773 148 HA LYS 24 HA LYS 537 -4.144 2.249 2.249 149 1HB LYS 24 1HB LYS 537 -4.948 1.214 1.214 150 2HB LYS 24 2HB LYS 537 -3.421 2.034 2.034 151 1HG LYS 24 1HG LYS 537 -4.700 4.033 4.033 152 2HG LYS 24 2HG LYS 537 -6.202 3.210 3.210 153 1HD LYS 24 1HD LYS 537 -4.007 3.522 3.522 154 2HD LYS 24 2HD LYS 537 -5.062 4.898 4.898 155 1HE LYS 24 1HE LYS 537 -7.038 3.455 3.455 156 2HE LYS 24 2HE LYS 537 -5.921 2.171 2.171 157 1HZ LYS 24 1HZ LYS 537 -6.019 4.816 4.816 158 2HZ LYS 24 2HZ LYS 537 -6.545 3.576 3.576 159 3HZ LYS 24 3HZ LYS 537 -5.079 3.735 3.735 160 H ARG 25 H ARG 538 -4.835 -0.480 -0.480 161 HA ARG 25 HA ARG 538 -2.569 -1.994 -1.994 162 1HB ARG 25 1HB ARG 538 -5.136 -3.078 -3.078 163 2HB ARG 25 2HB ARG 538 -3.736 -4.054 -4.054 164 1HG ARG 25 1HG ARG 538 -3.931 -3.373 -3.373 165 2HG ARG 25 2HG ARG 538 -5.125 -2.128 -2.128 166 1HD ARG 25 1HD ARG 538 -6.653 -4.014 -4.014 167 2HD ARG 25 2HD ARG 538 -5.499 -5.139 -5.139 168 HE ARG 25 HE ARG 538 -6.893 -2.989 -2.989 169 1HH1 ARG 25 1HH2 ARG 538 -5.054 -5.915 -5.915 170 2HH1 ARG 25 2HH2 ARG 538 -5.571 -6.208 -6.208 171 1HH2 ARG 25 1HH1 ARG 538 -7.316 -3.319 -3.319 172 2HH2 ARG 25 2HH1 ARG 538 -6.857 -4.717 -4.717 173 H CYS 26 H CYS 539 -1.091 -2.743 -2.743 174 HA CYS 26 HA CYS 539 -0.653 -2.091 -2.091 175 1HB CYS 26 1HB CYS 539 0.479 -4.474 -4.474 176 2HB CYS 26 2HB CYS 539 1.167 -3.659 -3.659 177 H TYR 27 H TYR 540 -1.150 -3.094 -3.094 178 HA TYR 27 HA TYR 540 -3.025 -5.263 -5.263 179 1HB TYR 27 1HB TYR 540 -1.433 -3.672 -3.672 180 2HB TYR 27 2HB TYR 540 -2.685 -4.858 -4.858 181 HD1 TYR 27 HD2 TYR 540 -4.944 -4.289 -4.289 182 HD2 TYR 27 HD1 TYR 540 -2.111 -1.544 -1.544 183 HE1 TYR 27 HE2 TYR 540 -6.802 -2.676 -2.676 184 HE2 TYR 27 HE1 TYR 540 -3.967 0.079 0.079 185 HH TYR 27 HH TYR 540 -7.406 -0.699 -0.699 186 1H NH2 28 1H1 TYR 540 -2.585 -7.195 -7.195 187 2H NH2 28 2H1 TYR 540 -1.093 -7.889 -7.889 Start of MODEL 21 1 1H CYS 1 1H CYS 541 11.279 -1.513 -1.513 2 2H CYS 1 2H CYS 541 11.267 -2.088 -2.088 3 3H CYS 1 3H CYS 541 11.096 -2.981 -2.981 4 HA CYS 1 HA CYS 541 9.132 -0.968 -0.968 5 1HB CYS 1 1HB CYS 541 7.680 -1.933 -1.933 6 2HB CYS 1 2HB CYS 541 9.171 -1.260 -1.260 7 H LYS 2 H LYS 542 7.440 -1.503 -1.503 8 HA LYS 2 HA LYS 542 7.544 -3.794 -3.794 9 1HB LYS 2 1HB LYS 542 5.361 -1.794 -1.794 10 2HB LYS 2 2HB LYS 542 5.157 -3.173 -3.173 11 1HG LYS 2 1HG LYS 542 6.890 -2.324 -2.324 12 2HG LYS 2 2HG LYS 542 7.265 -1.016 -1.016 13 1HD LYS 2 1HD LYS 542 4.914 -0.221 -0.221 14 2HD LYS 2 2HD LYS 542 4.606 -1.487 -1.487 15 1HE LYS 2 1HE LYS 542 5.787 -0.397 -0.397 16 2HE LYS 2 2HE LYS 542 6.874 0.399 0.399 17 1HZ LYS 2 1HZ LYS 542 4.061 1.118 1.118 18 2HZ LYS 2 2HZ LYS 542 5.198 1.945 1.945 19 3HZ LYS 2 3HZ LYS 542 4.976 1.788 1.788 20 H SER 3 H SER 543 6.495 -5.655 -5.655 21 HA SER 3 HA SER 543 5.486 -6.864 -6.864 22 1HB SER 3 1HB SER 543 4.487 -8.522 -8.522 23 2HB SER 3 2HB SER 543 6.239 -8.271 -8.271 24 HG SER 3 HG SER 543 5.229 -8.253 -8.253 25 HA HYP 4 HA HYP 544 1.215 -5.416 -5.416 26 1HB HYP 4 1HB HYP 544 1.304 -8.299 -8.299 27 2HB HYP 4 2HB HYP 544 0.346 -6.947 -6.947 28 HG HYP 4 HG HYP 544 2.532 -7.409 -7.409 29 HD1 HYP 4 HD1 HYP 544 3.207 -5.138 -5.138 30 1HD2 HYP 4 1HD2 HYP 544 4.413 -6.147 -6.147 31 2HD2 HYP 4 2HD2 HYP 544 4.060 -7.862 -7.862 32 H GLY 5 H GLY 545 -0.539 -5.683 -5.683 33 1HA GLY 5 1HA GLY 545 -1.962 -6.753 -6.753 34 2HA GLY 5 2HA GLY 545 -0.527 -7.610 -7.610 35 H SER 6 H SER 546 1.157 -5.292 -5.292 36 HA SER 6 HA SER 546 0.941 -4.496 -4.496 37 1HB SER 6 1HB SER 546 2.592 -3.271 -3.271 38 2HB SER 6 2HB SER 546 2.794 -2.918 -2.918 39 HG SER 6 HG SER 546 4.341 -4.570 -4.570 40 H SER 7 H SER 547 0.452 -2.785 -2.785 41 HA SER 7 HA SER 547 -1.554 -0.990 -0.990 42 1HB SER 7 1HB SER 547 0.285 -0.881 -0.881 43 2HB SER 7 2HB SER 547 -1.190 0.077 0.077 44 HG SER 7 HG SER 547 -1.579 -1.856 -1.856 45 H CYS 8 H CYS 548 -1.469 0.849 0.849 46 HA CYS 8 HA CYS 548 0.857 2.563 2.563 47 1HB CYS 8 1HB CYS 548 0.626 2.545 2.545 48 2HB CYS 8 2HB CYS 548 1.128 0.975 0.975 49 H SER 9 H SER 549 0.437 4.587 4.587 50 HA SER 9 HA SER 549 -2.200 5.694 5.694 51 1HB SER 9 1HB SER 549 0.497 6.971 6.971 52 2HB SER 9 2HB SER 549 -1.010 7.872 7.872 53 HG SER 9 HG SER 549 0.254 7.702 7.702 54 HA HYP 10 HA HYP 550 -3.325 6.338 6.338 55 1HB HYP 10 1HB HYP 550 -3.755 9.193 9.193 56 2HB HYP 10 2HB HYP 550 -4.783 8.255 8.255 57 HG HYP 10 HG HYP 550 -5.508 8.407 8.407 58 HD1 HYP 10 HD1 HYP 550 -6.254 6.156 6.156 59 1HD2 HYP 10 1HD2 HYP 550 -4.155 6.161 6.161 60 2HD2 HYP 10 2HD2 HYP 550 -3.485 7.785 7.785 61 H THR 11 H THR 551 -1.415 8.880 8.880 62 HA THR 11 HA THR 551 -0.129 9.912 9.912 63 HB THR 11 HB THR 551 1.548 10.732 10.732 64 HG1 THR 11 HG1 THR 551 0.767 10.563 10.563 65 1HG2 THR 11 1HG2 THR 551 -1.396 11.421 11.421 66 2HG2 THR 11 2HG2 THR 551 -0.033 12.395 12.395 67 3HG2 THR 11 3HG2 THR 551 -0.286 12.163 12.163 68 H SER 12 H SER 552 0.550 7.021 7.021 69 HA SER 12 HA SER 552 3.428 7.136 7.136 70 1HB SER 12 1HB SER 552 2.182 5.873 5.873 71 2HB SER 12 2HB SER 552 3.900 6.172 6.172 72 HG SER 12 HG SER 552 2.981 7.783 7.783 73 H TYR 13 H TYR 553 2.614 6.046 6.046 74 HA TYR 13 HA TYR 553 1.556 3.400 3.400 75 1HB TYR 13 1HB TYR 553 2.784 5.022 5.022 76 2HB TYR 13 2HB TYR 553 1.868 3.516 3.516 77 HD1 TYR 13 HD2 TYR 553 -0.628 3.518 3.518 78 HD2 TYR 13 HD1 TYR 553 1.751 7.102 7.102 79 HE1 TYR 13 HE2 TYR 553 -2.712 4.813 4.813 80 HE2 TYR 13 HE1 TYR 553 -0.331 8.386 8.386 81 HH TYR 13 HH TYR 553 -3.624 6.736 6.736 82 H ASN 14 H ASN 554 3.966 3.460 3.460 83 HA ASN 14 HA ASN 554 6.264 2.666 2.666 84 1HB ASN 14 1HB ASN 554 7.446 2.611 2.611 85 2HB ASN 14 2HB ASN 554 6.714 4.157 4.157 86 1HD2 ASN 14 1HD2 ASN 554 5.964 1.304 1.304 87 2HD2 ASN 14 2HD2 ASN 554 5.274 2.128 2.128 88 H CYS 15 H CYS 555 4.406 0.851 0.851 89 HA CYS 15 HA CYS 555 5.363 -1.667 -1.667 90 1HB CYS 15 1HB CYS 555 2.592 -0.746 -0.746 91 2HB CYS 15 2HB CYS 555 2.999 -2.461 -2.461 92 H CYS 16 H CYS 556 5.475 -3.374 -3.374 93 HA CYS 16 HA CYS 556 6.682 -3.030 -3.030 94 1HB CYS 16 1HB CYS 556 5.458 -5.520 -5.520 95 2HB CYS 16 2HB CYS 556 6.660 -5.403 -5.403 96 H ARG 17 H ARG 557 3.270 -3.880 -3.880 97 HA ARG 17 HA ARG 557 2.626 -2.950 -2.950 98 1HB ARG 17 1HB ARG 557 1.126 -4.981 -4.981 99 2HB ARG 17 2HB ARG 557 0.589 -4.367 -4.367 100 1HG ARG 17 1HG ARG 557 3.116 -5.961 -5.961 101 2HG ARG 17 2HG ARG 557 1.610 -6.597 -6.597 102 1HD ARG 17 1HD ARG 557 1.836 -5.120 -5.120 103 2HD ARG 17 2HD ARG 557 3.298 -4.397 -4.397 104 HE ARG 17 HE ARG 557 3.045 -7.182 -7.182 105 1HH1 ARG 17 1HH2 ARG 557 5.265 -4.701 -4.701 106 2HH1 ARG 17 2HH2 ARG 557 6.568 -5.485 -5.485 107 1HH2 ARG 17 1HH1 ARG 557 4.892 -8.203 -8.203 108 2HH2 ARG 17 2HH1 ARG 557 6.361 -7.471 -7.471 109 H SER 18 H SER 558 2.877 -1.173 -1.173 110 HA SER 18 HA SER 558 2.007 0.832 0.832 111 1HB SER 18 1HB SER 558 1.412 0.913 0.913 112 2HB SER 18 2HB SER 558 -0.165 0.217 0.217 113 HG SER 18 HG SER 558 -0.274 2.578 2.578 114 H CYS 19 H CYS 559 0.187 1.953 1.953 115 HA CYS 19 HA CYS 559 -1.212 0.271 0.271 116 1HB CYS 19 1HB CYS 559 0.071 2.390 2.390 117 2HB CYS 19 2HB CYS 559 -1.208 3.299 3.299 118 H ASN 20 H ASN 560 -3.371 0.211 0.211 119 HA ASN 20 HA ASN 560 -5.117 1.557 1.557 120 1HB ASN 20 1HB ASN 560 -5.399 -0.925 -0.925 121 2HB ASN 20 2HB ASN 560 -5.841 -0.635 -0.635 122 1HD2 ASN 20 1HD2 ASN 560 -7.536 -1.806 -1.806 123 2HD2 ASN 20 2HD2 ASN 560 -8.857 -0.841 -0.841 124 HA HYP 21 HA HYP 561 -5.648 4.667 4.667 125 1HB HYP 21 1HB HYP 561 -7.820 5.357 5.357 126 2HB HYP 21 2HB HYP 561 -6.671 6.430 6.430 127 HG HYP 21 HG HYP 561 -6.321 5.702 5.702 128 HD1 HYP 21 HD1 HYP 561 -4.040 6.039 6.039 129 1HD2 HYP 21 1HD2 HYP 561 -4.450 3.732 3.732 130 2HD2 HYP 21 2HD2 HYP 561 -6.108 3.389 3.389 131 H TYR 22 H TYR 562 -8.315 2.886 2.886 132 HA TYR 22 HA TYR 562 -10.263 3.508 3.508 133 1HB TYR 22 1HB TYR 562 -10.157 1.212 1.212 134 2HB TYR 22 2HB TYR 562 -11.594 1.759 1.759 135 HD1 TYR 22 HD1 TYR 562 -12.342 4.270 4.270 136 HD2 TYR 22 HD2 TYR 562 -9.685 2.049 2.049 137 HE1 TYR 22 HE1 TYR 562 -12.536 6.069 6.069 138 HE2 TYR 22 HE2 TYR 562 -9.847 3.874 3.874 139 HH TYR 22 HH TYR 562 -10.489 5.907 5.907 140 H THR 23 H THR 563 -8.648 0.412 0.412 141 HA THR 23 HA THR 563 -9.450 -0.777 -0.777 142 HB THR 23 HB THR 563 -7.768 -2.522 -2.522 143 HG1 THR 23 HG1 THR 563 -6.462 -2.311 -2.311 144 1HG2 THR 23 1HG2 THR 563 -9.386 -1.750 -1.750 145 2HG2 THR 23 2HG2 THR 563 -8.632 -3.325 -3.325 146 3HG2 THR 23 3HG2 THR 563 -9.916 -2.735 -2.735 147 H LYS 24 H LYS 564 -6.973 1.432 1.432 148 HA LYS 24 HA LYS 564 -5.109 2.253 2.253 149 1HB LYS 24 1HB LYS 564 -6.382 1.061 1.061 150 2HB LYS 24 2HB LYS 564 -4.942 2.094 2.094 151 1HG LYS 24 1HG LYS 564 -7.519 2.985 2.985 152 2HG LYS 24 2HG LYS 564 -7.223 3.195 3.195 153 1HD LYS 24 1HD LYS 564 -5.151 4.471 4.471 154 2HD LYS 24 2HD LYS 564 -5.593 4.353 4.353 155 1HE LYS 24 1HE LYS 564 -7.565 5.475 5.475 156 2HE LYS 24 2HE LYS 564 -6.233 6.490 6.490 157 1HZ LYS 24 1HZ LYS 564 -8.189 5.210 5.210 158 2HZ LYS 24 2HZ LYS 564 -8.172 6.668 6.668 159 3HZ LYS 24 3HZ LYS 564 -7.068 6.064 6.064 160 H ARG 25 H ARG 565 -5.165 -0.508 -0.508 161 HA ARG 25 HA ARG 565 -2.759 -1.698 -1.698 162 1HB ARG 25 1HB ARG 565 -5.249 -3.092 -3.092 163 2HB ARG 25 2HB ARG 565 -3.696 -3.916 -3.916 164 1HG ARG 25 1HG ARG 565 -3.681 -3.234 -3.234 165 2HG ARG 25 2HG ARG 565 -5.245 -2.434 -2.434 166 1HD ARG 25 1HD ARG 565 -5.648 -4.582 -4.582 167 2HD ARG 25 2HD ARG 565 -6.202 -4.654 -4.654 168 HE ARG 25 HE ARG 565 -3.532 -5.539 -5.539 169 1HH1 ARG 25 1HH2 ARG 565 -6.671 -6.822 -6.822 170 2HH1 ARG 25 2HH2 ARG 565 -6.191 -8.378 -8.378 171 1HH2 ARG 25 1HH1 ARG 565 -2.976 -7.701 -7.701 172 2HH2 ARG 25 2HH1 ARG 565 -4.112 -8.873 -8.873 173 H CYS 26 H CYS 566 -1.504 -2.930 -2.930 174 HA CYS 26 HA CYS 566 -1.245 -1.748 -1.748 175 1HB CYS 26 1HB CYS 566 0.450 -3.722 -3.722 176 2HB CYS 26 2HB CYS 566 0.821 -3.074 -3.074 177 H TYR 27 H TYR 567 -1.379 -2.736 -2.736 178 HA TYR 27 HA TYR 567 -3.411 -4.650 -4.650 179 1HB TYR 27 1HB TYR 567 -1.523 -3.338 -3.338 180 2HB TYR 27 2HB TYR 567 -2.722 -4.541 -4.541 181 HD1 TYR 27 HD1 TYR 567 -5.165 -4.118 -4.118 182 HD2 TYR 27 HD2 TYR 567 -2.103 -1.058 -1.058 183 HE1 TYR 27 HE1 TYR 567 -6.863 -2.372 -2.372 184 HE2 TYR 27 HE2 TYR 567 -3.800 0.689 0.689 185 HH TYR 27 HH TYR 567 -5.845 1.155 1.155 186 1H NH2 28 1H1 TYR 567 -3.321 -6.801 -6.801 187 2H NH2 28 2H1 TYR 567 -1.970 -7.715 -7.715
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