NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16981 | 2b38 | 6872 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H CYS 1 H CYS 1 4.917 3.450 -3.514 2 HA CYS 1 HA CYS 1 5.133 0.680 -4.217 3 1HB CYS 1 2HB CYS 1 6.383 0.811 -2.023 4 2HB CYS 1 1HB CYS 1 4.890 1.358 -1.270 5 H GLY 2 H GLY 2 3.439 2.449 -5.191 6 1HA GLY 2 2HA GLY 2 1.050 2.875 -3.729 7 2HA GLY 2 1HA GLY 2 1.260 3.092 -5.455 8 H GLU 3 H GLU 3 1.461 0.195 -3.418 9 HA GLU 3 HA GLU 3 -0.337 -1.191 -5.244 10 1HB GLU 3 2HB GLU 3 1.689 -2.365 -4.567 11 2HB GLU 3 1HB GLU 3 1.284 -2.156 -2.873 12 1HG GLU 3 2HG GLU 3 0.860 -4.427 -3.636 13 2HG GLU 3 1HG GLU 3 -0.621 -3.633 -3.117 14 H THR 4 H THR 4 -2.142 -2.443 -4.298 15 HA THR 4 HA THR 4 -3.336 -0.920 -2.072 16 HB THR 4 HB THR 4 -5.521 -1.821 -2.901 17 HG1 THR 4 1HG THR 4 -3.787 -2.763 -4.934 18 1HG2 THR 4 1HG2 THR 4 -5.560 0.296 -3.627 19 2HG2 THR 4 2HG2 THR 4 -5.075 -0.339 -5.199 20 3HG2 THR 4 3HG2 THR 4 -3.854 0.254 -4.073 21 H CYS 5 H CYS 5 -4.331 -1.982 -0.382 22 HA CYS 5 HA CYS 5 -3.400 -4.730 -0.010 23 1HB CYS 5 2HB CYS 5 -4.988 -3.255 2.063 24 2HB CYS 5 1HB CYS 5 -3.765 -4.492 2.276 25 H LEU 6 H LEU 6 -5.078 -4.886 -1.937 26 HA LEU 6 HA LEU 6 -7.823 -5.018 -1.346 27 1HB LEU 6 2HB LEU 6 -6.219 -6.507 -3.426 28 2HB LEU 6 1HB LEU 6 -7.971 -6.466 -3.370 29 HG LEU 6 HG LEU 6 -6.171 -4.079 -3.790 30 1HD1 LEU 6 1HD1 LEU 6 -6.071 -5.137 -5.816 31 2HD1 LEU 6 2HD1 LEU 6 -7.538 -4.180 -6.029 32 3HD1 LEU 6 3HD1 LEU 6 -7.654 -5.891 -5.624 33 1HD2 LEU 6 1HD2 LEU 6 -7.939 -2.735 -3.537 34 2HD2 LEU 6 2HD2 LEU 6 -8.699 -4.095 -2.712 35 3HD2 LEU 6 3HD2 LEU 6 -9.003 -3.823 -4.427 36 H LEU 7 H LEU 7 -5.221 -7.327 -0.963 37 HA LEU 7 HA LEU 7 -6.972 -9.507 -0.294 38 1HB LEU 7 2HB LEU 7 -3.985 -9.195 0.033 39 2HB LEU 7 1HB LEU 7 -4.875 -10.682 0.302 40 HG LEU 7 HG LEU 7 -4.644 -9.237 -2.342 41 1HD1 LEU 7 1HD1 LEU 7 -3.071 -10.795 -3.003 42 2HD1 LEU 7 2HD1 LEU 7 -3.511 -11.933 -1.730 43 3HD1 LEU 7 3HD1 LEU 7 -2.607 -10.473 -1.333 44 1HD2 LEU 7 1HD2 LEU 7 -6.739 -10.706 -1.674 45 2HD2 LEU 7 2HD2 LEU 7 -5.640 -12.024 -2.080 46 3HD2 LEU 7 3HD2 LEU 7 -6.022 -10.792 -3.283 47 H GLY 8 H GLY 8 -5.759 -6.784 1.294 48 1HA GLY 8 2HA GLY 8 -6.936 -6.489 3.496 49 2HA GLY 8 1HA GLY 8 -6.214 -8.035 3.925 50 H THR 9 H THR 9 -3.700 -7.538 2.623 51 HA THR 9 HA THR 9 -2.609 -5.177 3.894 52 HB THR 9 HB THR 9 -1.507 -7.892 4.680 53 HG1 THR 9 1HG THR 9 -3.600 -6.416 5.732 54 1HG2 THR 9 1HG2 THR 9 -1.056 -5.240 6.032 55 2HG2 THR 9 2HG2 THR 9 -0.027 -5.810 4.718 56 3HG2 THR 9 3HG2 THR 9 -0.138 -6.736 6.215 57 H CYS 10 H CYS 10 -0.444 -4.738 3.219 58 HA CYS 10 HA CYS 10 0.089 -5.395 0.522 59 1HB CYS 10 2HB CYS 10 2.028 -4.185 2.491 60 2HB CYS 10 1HB CYS 10 2.037 -4.018 0.741 61 H TYR 11 H TYR 11 1.429 -6.852 -0.377 62 HA TYR 11 HA TYR 11 2.637 -8.836 1.371 63 1HB TYR 11 2HB TYR 11 2.040 -8.707 -1.566 64 2HB TYR 11 1HB TYR 11 3.239 -9.851 -0.973 65 HD1 TYR 11 1HD TYR 11 0.012 -8.789 0.574 66 HD2 TYR 11 2HD TYR 11 2.249 -11.940 -1.202 67 HE1 TYR 11 1HE TYR 11 -1.775 -10.376 1.154 68 HE2 TYR 11 2HE TYR 11 0.468 -13.536 -0.629 69 HH TYR 11 HH TYR 11 -1.943 -12.889 1.562 70 H THR 12 H THR 12 3.480 -6.071 -0.432 71 HA THR 12 HA THR 12 6.224 -6.691 -0.901 72 HB THR 12 HB THR 12 5.334 -3.871 -0.662 73 HG1 THR 12 1HG THR 12 4.416 -4.223 -2.890 74 1HG2 THR 12 1HG2 THR 12 7.243 -3.631 -1.796 75 2HG2 THR 12 2HG2 THR 12 6.484 -4.448 -3.165 76 3HG2 THR 12 3HG2 THR 12 7.397 -5.379 -1.977 77 H THR 13 H THR 13 7.980 -6.157 0.280 78 HA THR 13 HA THR 13 7.662 -5.834 3.087 79 HB THR 13 HB THR 13 10.241 -5.657 2.965 80 HG1 THR 13 1HG THR 13 10.797 -6.782 0.806 81 1HG2 THR 13 1HG2 THR 13 10.347 -7.925 3.179 82 2HG2 THR 13 2HG2 THR 13 9.367 -8.215 1.741 83 3HG2 THR 13 3HG2 THR 13 8.594 -7.744 3.255 84 H GLY 14 H GLY 14 7.946 -4.105 4.364 85 1HA GLY 14 2HA GLY 14 8.522 -1.966 5.019 86 2HA GLY 14 1HA GLY 14 9.230 -1.699 3.438 87 H CYS 15 H CYS 15 6.246 -2.830 2.819 88 HA CYS 15 HA CYS 15 5.215 -0.107 2.504 89 1HB CYS 15 2HB CYS 15 4.229 -2.684 1.257 90 2HB CYS 15 1HB CYS 15 3.669 -1.059 0.866 91 H THR 16 H THR 16 3.465 0.613 3.584 92 HA THR 16 HA THR 16 2.129 -1.293 5.389 93 HB THR 16 HB THR 16 1.643 0.747 6.803 94 HG1 THR 16 1HG THR 16 3.734 1.964 5.300 95 1HG2 THR 16 1HG2 THR 16 4.558 0.724 6.796 96 2HG2 THR 16 2HG2 THR 16 3.860 -0.894 6.735 97 3HG2 THR 16 3HG2 THR 16 3.427 0.206 8.046 98 H CYS 17 H CYS 17 -0.148 -0.916 5.797 99 HA CYS 17 HA CYS 17 -1.475 0.051 3.409 100 1HB CYS 17 2HB CYS 17 -2.503 -1.388 5.859 101 2HB CYS 17 1HB CYS 17 -3.533 -0.870 4.528 102 H ASN 18 H ASN 18 -2.042 2.074 3.233 103 HA ASN 18 HA ASN 18 -2.480 3.693 5.617 104 1HB ASN 18 2HB ASN 18 -1.891 5.492 4.370 105 2HB ASN 18 1HB ASN 18 -1.265 4.304 3.239 106 1HD2 ASN 18 1HD2 ASN 18 -2.016 4.325 1.243 107 2HD2 ASN 18 2HD2 ASN 18 -3.386 5.229 0.695 108 H LYS 19 H LYS 19 -4.404 4.967 5.810 109 HA LYS 19 HA LYS 19 -6.723 3.697 6.037 110 1HB LYS 19 2HB LYS 19 -6.301 5.947 6.882 111 2HB LYS 19 1HB LYS 19 -6.447 6.600 5.259 112 1HG LYS 19 2HG LYS 19 -8.736 5.044 6.328 113 2HG LYS 19 1HG LYS 19 -8.446 6.651 6.994 114 1HD LYS 19 2HD LYS 19 -8.842 7.703 4.966 115 2HD LYS 19 1HD LYS 19 -8.498 6.248 4.030 116 1HE LYS 19 2HE LYS 19 -10.902 6.641 5.807 117 2HE LYS 19 1HE LYS 19 -10.899 6.830 4.055 118 1HZ LYS 19 1HZ LYS 19 -9.834 4.377 4.351 119 2HZ LYS 19 2HZ LYS 19 -11.478 4.678 4.072 120 3HZ LYS 19 3HZ LYS 19 -10.924 4.419 5.649 121 H TYR 20 H TYR 20 -5.670 5.126 2.986 122 HA TYR 20 HA TYR 20 -8.216 4.675 1.701 123 1HB TYR 20 2HB TYR 20 -6.536 6.476 1.074 124 2HB TYR 20 1HB TYR 20 -5.565 5.200 0.351 125 HD1 TYR 20 1HD TYR 20 -5.627 5.628 -1.935 126 HD2 TYR 20 2HD TYR 20 -9.261 5.691 0.275 127 HE1 TYR 20 1HE TYR 20 -6.891 5.854 -4.031 128 HE2 TYR 20 2HE TYR 20 -10.536 5.915 -1.815 129 HH TYR 20 HH TYR 20 -9.683 5.150 -4.580 130 H ARG 21 H ARG 21 -6.344 2.535 2.912 131 HA ARG 21 HA ARG 21 -5.837 0.367 2.644 132 1HB ARG 21 2HB ARG 21 -8.324 0.381 1.940 133 2HB ARG 21 1HB ARG 21 -7.735 0.308 0.288 134 1HG ARG 21 2HG ARG 21 -6.706 -1.823 0.688 135 2HG ARG 21 1HG ARG 21 -7.109 -1.735 2.406 136 1HD ARG 21 2HD ARG 21 -9.492 -1.719 1.841 137 2HD ARG 21 1HD ARG 21 -9.086 -1.815 0.130 138 HE ARG 21 HE ARG 21 -7.863 -3.979 1.353 139 1HH1 ARG 21 1HH1 ARG 21 -11.120 -2.792 0.875 140 2HH1 ARG 21 2HH1 ARG 21 -11.836 -4.369 0.864 141 1HH2 ARG 21 1HH2 ARG 21 -8.803 -6.072 1.335 142 2HH2 ARG 21 2HH2 ARG 21 -10.513 -6.240 1.126 143 H VAL 22 H VAL 22 -4.250 2.275 1.534 144 HA VAL 22 HA VAL 22 -3.166 0.797 -0.798 145 HB VAL 22 HB VAL 22 -3.209 3.803 -0.461 146 1HG1 VAL 22 1HG1 VAL 22 -1.971 4.005 -2.476 147 2HG1 VAL 22 2HG1 VAL 22 -2.056 2.269 -2.779 148 3HG1 VAL 22 3HG1 VAL 22 -1.080 2.885 -1.444 149 1HG2 VAL 22 1HG2 VAL 22 -4.423 3.644 -2.681 150 2HG2 VAL 22 2HG2 VAL 22 -5.314 3.110 -1.256 151 3HG2 VAL 22 3HG2 VAL 22 -4.598 1.921 -2.344 152 H CYS 23 H CYS 23 -1.066 0.381 -0.826 153 HA CYS 23 HA CYS 23 0.413 0.463 1.584 154 1HB CYS 23 2HB CYS 23 1.367 -0.144 -1.217 155 2HB CYS 23 1HB CYS 23 2.159 -0.609 0.287 156 H THR 24 H THR 24 1.904 1.729 2.316 157 HA THR 24 HA THR 24 3.079 3.809 0.611 158 HB THR 24 HB THR 24 3.017 5.246 2.788 159 HG1 THR 24 1HG THR 24 2.136 3.546 4.106 160 1HG2 THR 24 1HG2 THR 24 1.795 6.270 1.175 161 2HG2 THR 24 2HG2 THR 24 0.440 5.731 2.167 162 3HG2 THR 24 3HG2 THR 24 0.922 4.798 0.749 163 H LYS 25 H LYS 25 5.264 3.792 0.760 164 HA LYS 25 HA LYS 25 6.484 2.074 2.780 165 1HB LYS 25 2HB LYS 25 7.053 2.525 0.115 166 2HB LYS 25 1HB LYS 25 8.281 3.478 0.933 167 1HG LYS 25 2HG LYS 25 8.876 1.438 2.246 168 2HG LYS 25 1HG LYS 25 7.769 0.527 1.217 169 1HD LYS 25 2HD LYS 25 9.098 1.424 -0.751 170 2HD LYS 25 1HD LYS 25 10.295 1.956 0.429 171 1HE LYS 25 2HE LYS 25 10.981 -0.171 -0.412 172 2HE LYS 25 1HE LYS 25 10.431 -0.393 1.248 173 1HZ LYS 25 1HZ LYS 25 9.439 -1.565 -1.144 174 2HZ LYS 25 2HZ LYS 25 8.201 -0.772 -0.310 175 3HZ LYS 25 3HZ LYS 25 9.106 -1.974 0.466 176 H ASP 26 H ASP 26 7.091 5.278 1.428 177 HA ASP 26 HA ASP 26 8.226 6.175 3.979 178 1HB ASP 26 2HB ASP 26 9.040 8.124 2.610 179 2HB ASP 26 1HB ASP 26 9.691 6.576 2.091 180 H GLY 27 H GLY 27 5.894 6.890 1.499 181 1HA GLY 27 2HA GLY 27 3.741 7.713 2.873 182 2HA GLY 27 1HA GLY 27 4.748 9.163 2.867 183 H SER 28 H SER 28 5.962 8.306 0.324 184 HA SER 28 HA SER 28 4.161 9.649 -1.447 185 1HB SER 28 2HB SER 28 6.669 8.181 -2.252 186 2HB SER 28 1HB SER 28 5.956 9.619 -2.983 187 HG SER 28 HG SER 28 7.666 9.389 -0.837 188 H VAL 29 H VAL 29 2.860 8.791 -2.994 189 HA VAL 29 HA VAL 29 2.214 6.024 -2.894 190 HB VAL 29 HB VAL 29 1.410 8.028 -5.011 191 1HG1 VAL 29 1HG1 VAL 29 -0.260 5.696 -4.207 192 2HG1 VAL 29 2HG1 VAL 29 1.109 5.431 -5.286 193 3HG1 VAL 29 3HG1 VAL 29 -0.176 6.545 -5.751 194 1HG2 VAL 29 1HG2 VAL 29 -0.253 7.249 -2.637 195 2HG2 VAL 29 2HG2 VAL 29 -0.460 8.615 -3.734 196 3HG2 VAL 29 3HG2 VAL 29 0.871 8.607 -2.577 197 H LEU 30 H LEU 30 4.151 8.043 -4.896 198 HA LEU 30 HA LEU 30 4.715 6.070 -6.908 199 1HB LEU 30 2HB LEU 30 4.718 8.536 -7.325 200 2HB LEU 30 1HB LEU 30 6.151 8.663 -6.325 201 HG LEU 30 HG LEU 30 7.352 7.185 -7.926 202 1HD1 LEU 30 1HD1 LEU 30 4.844 7.508 -9.567 203 2HD1 LEU 30 2HD1 LEU 30 5.448 6.008 -8.862 204 3HD1 LEU 30 3HD1 LEU 30 6.361 6.814 -10.137 205 1HD2 LEU 30 1HD2 LEU 30 6.280 9.435 -9.544 206 2HD2 LEU 30 2HD2 LEU 30 7.948 8.929 -9.273 207 3HD2 LEU 30 3HD2 LEU 30 7.077 9.810 -8.016 208 H ASN 31 H ASN 31 5.221 4.623 -4.919 209 HA ASN 31 HA ASN 31 8.070 4.203 -4.878 210 1HB ASN 31 2HB ASN 31 7.591 5.920 -3.037 211 2HB ASN 31 1HB ASN 31 6.699 4.645 -2.217 212 1HD2 ASN 31 1HD2 ASN 31 9.449 6.211 -2.071 213 2HD2 ASN 31 2HD2 ASN 31 10.524 4.970 -1.534 Start of MODEL 2 1 H CYS 1 H CYS 1 6.123 2.174 -5.088 2 HA CYS 1 HA CYS 1 6.123 -0.313 -3.830 3 1HB CYS 1 2HB CYS 1 5.903 1.000 -1.736 4 2HB CYS 1 1HB CYS 1 4.459 1.770 -2.380 5 H GLY 2 H GLY 2 3.636 2.226 -4.189 6 1HA GLY 2 2HA GLY 2 1.738 2.334 -5.470 7 2HA GLY 2 1HA GLY 2 2.680 1.497 -6.691 8 H GLU 3 H GLU 3 1.992 0.045 -3.604 9 HA GLU 3 HA GLU 3 0.291 -1.916 -4.970 10 1HB GLU 3 2HB GLU 3 2.266 -2.912 -4.005 11 2HB GLU 3 1HB GLU 3 1.979 -2.116 -2.465 12 1HG GLU 3 2HG GLU 3 -0.006 -3.473 -2.117 13 2HG GLU 3 1HG GLU 3 0.229 -4.240 -3.685 14 H THR 4 H THR 4 -1.524 -2.786 -3.735 15 HA THR 4 HA THR 4 -2.592 -0.913 -1.743 16 HB THR 4 HB THR 4 -4.889 -1.556 -2.650 17 HG1 THR 4 1HG THR 4 -3.573 -1.970 -5.112 18 1HG2 THR 4 1HG2 THR 4 -2.953 0.374 -3.726 19 2HG2 THR 4 2HG2 THR 4 -4.599 0.624 -3.142 20 3HG2 THR 4 3HG2 THR 4 -4.324 0.043 -4.784 21 H CYS 5 H CYS 5 -3.883 -1.882 -0.112 22 HA CYS 5 HA CYS 5 -3.169 -4.688 0.267 23 1HB CYS 5 2HB CYS 5 -4.843 -3.244 2.269 24 2HB CYS 5 1HB CYS 5 -3.580 -4.433 2.516 25 H LEU 6 H LEU 6 -4.713 -4.744 -1.774 26 HA LEU 6 HA LEU 6 -7.483 -4.710 -1.471 27 1HB LEU 6 2HB LEU 6 -6.296 -4.862 -3.633 28 2HB LEU 6 1HB LEU 6 -5.851 -6.515 -3.254 29 HG LEU 6 HG LEU 6 -8.254 -7.129 -3.236 30 1HD1 LEU 6 1HD1 LEU 6 -9.390 -5.160 -2.698 31 2HD1 LEU 6 2HD1 LEU 6 -9.774 -5.432 -4.397 32 3HD1 LEU 6 3HD1 LEU 6 -8.563 -4.231 -3.948 33 1HD2 LEU 6 1HD2 LEU 6 -6.668 -7.113 -5.295 34 2HD2 LEU 6 2HD2 LEU 6 -7.693 -5.788 -5.847 35 3HD2 LEU 6 3HD2 LEU 6 -8.397 -7.373 -5.529 36 H LEU 7 H LEU 7 -5.190 -7.331 -0.917 37 HA LEU 7 HA LEU 7 -7.190 -9.261 -0.222 38 1HB LEU 7 2HB LEU 7 -4.851 -9.771 -1.049 39 2HB LEU 7 1HB LEU 7 -4.268 -9.298 0.530 40 HG LEU 7 HG LEU 7 -5.757 -11.090 1.507 41 1HD1 LEU 7 1HD1 LEU 7 -5.809 -12.710 -0.861 42 2HD1 LEU 7 2HD1 LEU 7 -6.708 -11.216 -1.118 43 3HD1 LEU 7 3HD1 LEU 7 -7.124 -12.274 0.229 44 1HD2 LEU 7 1HD2 LEU 7 -3.238 -11.327 0.120 45 2HD2 LEU 7 2HD2 LEU 7 -4.113 -12.859 0.135 46 3HD2 LEU 7 3HD2 LEU 7 -3.753 -12.034 1.651 47 H GLY 8 H GLY 8 -5.688 -6.662 1.356 48 1HA GLY 8 2HA GLY 8 -6.936 -6.106 3.490 49 2HA GLY 8 1HA GLY 8 -6.430 -7.712 4.005 50 H THR 9 H THR 9 -3.870 -7.503 2.610 51 HA THR 9 HA THR 9 -2.489 -5.324 3.940 52 HB THR 9 HB THR 9 -1.671 -8.190 4.506 53 HG1 THR 9 1HG THR 9 -3.542 -6.589 5.711 54 1HG2 THR 9 1HG2 THR 9 0.131 -6.474 4.568 55 2HG2 THR 9 2HG2 THR 9 -0.166 -7.227 6.135 56 3HG2 THR 9 3HG2 THR 9 -0.784 -5.610 5.803 57 H CYS 10 H CYS 10 -0.396 -4.990 3.135 58 HA CYS 10 HA CYS 10 -0.025 -5.464 0.390 59 1HB CYS 10 2HB CYS 10 2.143 -4.633 2.303 60 2HB CYS 10 1HB CYS 10 1.944 -4.182 0.613 61 H TYR 11 H TYR 11 1.474 -6.646 -0.745 62 HA TYR 11 HA TYR 11 2.416 -9.080 0.561 63 1HB TYR 11 2HB TYR 11 2.299 -8.164 -2.313 64 2HB TYR 11 1HB TYR 11 3.202 -9.594 -1.837 65 HD1 TYR 11 1HD TYR 11 -0.190 -8.312 -0.865 66 HD2 TYR 11 2HD TYR 11 2.107 -11.458 -2.578 67 HE1 TYR 11 1HE TYR 11 -2.228 -9.672 -1.092 68 HE2 TYR 11 2HE TYR 11 0.078 -12.824 -2.808 69 HH TYR 11 HH TYR 11 -2.353 -12.760 -1.404 70 H THR 12 H THR 12 3.540 -6.100 -0.849 71 HA THR 12 HA THR 12 6.316 -6.829 -0.878 72 HB THR 12 HB THR 12 5.477 -3.977 -0.856 73 HG1 THR 12 1HG THR 12 3.918 -4.782 -2.227 74 1HG2 THR 12 1HG2 THR 12 7.818 -4.488 -1.145 75 2HG2 THR 12 2HG2 THR 12 7.173 -3.860 -2.661 76 3HG2 THR 12 3HG2 THR 12 7.448 -5.591 -2.471 77 H THR 13 H THR 13 7.888 -6.310 0.514 78 HA THR 13 HA THR 13 7.134 -5.737 3.237 79 HB THR 13 HB THR 13 9.638 -5.997 3.625 80 HG1 THR 13 1HG THR 13 10.133 -5.529 1.345 81 1HG2 THR 13 1HG2 THR 13 8.189 -8.287 2.289 82 2HG2 THR 13 2HG2 THR 13 8.049 -7.834 3.987 83 3HG2 THR 13 3HG2 THR 13 9.584 -8.429 3.357 84 H GLY 14 H GLY 14 7.339 -3.831 4.257 85 1HA GLY 14 2HA GLY 14 8.522 -1.787 4.684 86 2HA GLY 14 1HA GLY 14 8.968 -1.730 2.987 87 H CYS 15 H CYS 15 6.080 -2.646 2.534 88 HA CYS 15 HA CYS 15 5.015 0.050 2.305 89 1HB CYS 15 2HB CYS 15 3.948 -2.594 1.288 90 2HB CYS 15 1HB CYS 15 3.229 -1.022 0.957 91 H THR 16 H THR 16 3.413 0.856 3.504 92 HA THR 16 HA THR 16 2.242 -0.877 5.573 93 HB THR 16 HB THR 16 1.767 1.311 6.759 94 HG1 THR 16 1HG THR 16 3.744 2.425 5.059 95 1HG2 THR 16 1HG2 THR 16 3.599 -0.061 7.503 96 2HG2 THR 16 2HG2 THR 16 4.127 1.622 7.505 97 3HG2 THR 16 3HG2 THR 16 4.633 0.542 6.207 98 H CYS 17 H CYS 17 -0.032 -0.622 6.029 99 HA CYS 17 HA CYS 17 -1.495 0.071 3.631 100 1HB CYS 17 2HB CYS 17 -2.297 -1.282 6.202 101 2HB CYS 17 1HB CYS 17 -3.474 -0.824 4.974 102 H ASN 18 H ASN 18 -2.088 2.013 3.302 103 HA ASN 18 HA ASN 18 -2.551 3.936 5.412 104 1HB ASN 18 2HB ASN 18 -1.497 4.983 3.625 105 2HB ASN 18 1HB ASN 18 -2.330 4.002 2.425 106 1HD2 ASN 18 1HD2 ASN 18 -3.722 5.050 1.250 107 2HD2 ASN 18 2HD2 ASN 18 -4.594 6.470 1.709 108 H LYS 19 H LYS 19 -4.550 4.976 5.724 109 HA LYS 19 HA LYS 19 -6.765 3.536 6.136 110 1HB LYS 19 2HB LYS 19 -6.373 5.886 6.846 111 2HB LYS 19 1HB LYS 19 -6.809 6.417 5.229 112 1HG LYS 19 2HG LYS 19 -8.742 4.751 6.769 113 2HG LYS 19 1HG LYS 19 -8.548 6.453 7.188 114 1HD LYS 19 2HD LYS 19 -9.106 7.106 4.918 115 2HD LYS 19 1HD LYS 19 -9.201 5.413 4.429 116 1HE LYS 19 2HE LYS 19 -11.425 6.316 4.786 117 2HE LYS 19 1HE LYS 19 -11.065 5.080 5.990 118 1HZ LYS 19 1HZ LYS 19 -10.264 7.568 7.000 119 2HZ LYS 19 2HZ LYS 19 -11.486 6.548 7.572 120 3HZ LYS 19 3HZ LYS 19 -11.843 7.728 6.415 121 H TYR 20 H TYR 20 -6.018 5.082 3.034 122 HA TYR 20 HA TYR 20 -8.535 4.287 1.869 123 1HB TYR 20 2HB TYR 20 -7.178 6.330 1.195 124 2HB TYR 20 1HB TYR 20 -6.079 5.220 0.385 125 HD1 TYR 20 1HD TYR 20 -9.807 5.218 0.546 126 HD2 TYR 20 2HD TYR 20 -6.342 5.611 -1.890 127 HE1 TYR 20 1HE TYR 20 -11.230 5.281 -1.458 128 HE2 TYR 20 2HE TYR 20 -7.756 5.674 -3.901 129 HH TYR 20 HH TYR 20 -10.342 4.663 -4.361 130 H ARG 21 H ARG 21 -6.594 2.335 3.008 131 HA ARG 21 HA ARG 21 -5.808 0.261 2.694 132 1HB ARG 21 2HB ARG 21 -8.264 0.060 1.964 133 2HB ARG 21 1HB ARG 21 -7.661 0.080 0.314 134 1HG ARG 21 2HG ARG 21 -8.093 -2.185 1.101 135 2HG ARG 21 1HG ARG 21 -6.386 -1.940 0.731 136 1HD ARG 21 2HD ARG 21 -6.697 -3.201 2.808 137 2HD ARG 21 1HD ARG 21 -5.887 -1.662 3.089 138 HE ARG 21 HE ARG 21 -8.605 -1.244 3.482 139 1HH1 ARG 21 1HH1 ARG 21 -6.046 -3.164 4.902 140 2HH1 ARG 21 2HH1 ARG 21 -6.714 -3.116 6.499 141 1HH2 ARG 21 1HH2 ARG 21 -9.499 -1.174 5.595 142 2HH2 ARG 21 2HH2 ARG 21 -8.685 -1.979 6.894 143 H VAL 22 H VAL 22 -4.347 2.297 1.625 144 HA VAL 22 HA VAL 22 -3.223 1.028 -0.816 145 HB VAL 22 HB VAL 22 -3.084 3.949 -0.027 146 1HG1 VAL 22 1HG1 VAL 22 -2.290 3.785 -2.640 147 2HG1 VAL 22 2HG1 VAL 22 -1.541 2.356 -1.929 148 3HG1 VAL 22 3HG1 VAL 22 -1.212 3.952 -1.254 149 1HG2 VAL 22 1HG2 VAL 22 -5.265 2.942 -0.966 150 2HG2 VAL 22 2HG2 VAL 22 -4.386 2.855 -2.492 151 3HG2 VAL 22 3HG2 VAL 22 -4.628 4.412 -1.702 152 H CYS 23 H CYS 23 -1.139 0.415 -0.823 153 HA CYS 23 HA CYS 23 0.312 0.495 1.666 154 1HB CYS 23 2HB CYS 23 1.142 -0.574 -1.035 155 2HB CYS 23 1HB CYS 23 1.932 -0.903 0.505 156 H THR 24 H THR 24 1.688 1.943 2.256 157 HA THR 24 HA THR 24 3.016 3.614 0.232 158 HB THR 24 HB THR 24 2.982 5.421 2.049 159 HG1 THR 24 1HG THR 24 2.147 3.742 3.639 160 1HG2 THR 24 1HG2 THR 24 1.272 4.876 -0.020 161 2HG2 THR 24 2HG2 THR 24 1.271 6.359 0.936 162 3HG2 THR 24 3HG2 THR 24 0.166 5.046 1.344 163 H LYS 25 H LYS 25 5.179 4.086 0.591 164 HA LYS 25 HA LYS 25 6.632 2.239 2.190 165 1HB LYS 25 2HB LYS 25 8.623 3.617 1.518 166 2HB LYS 25 1HB LYS 25 7.653 3.024 0.177 167 1HG LYS 25 2HG LYS 25 6.739 5.146 -0.242 168 2HG LYS 25 1HG LYS 25 7.290 5.778 1.310 169 1HD LYS 25 2HD LYS 25 9.168 4.848 -0.852 170 2HD LYS 25 1HD LYS 25 8.611 6.516 -0.709 171 1HE LYS 25 2HE LYS 25 10.035 4.996 1.473 172 2HE LYS 25 1HE LYS 25 10.829 6.093 0.343 173 1HZ LYS 25 1HZ LYS 25 8.528 7.090 1.882 174 2HZ LYS 25 2HZ LYS 25 9.896 7.920 1.324 175 3HZ LYS 25 3HZ LYS 25 10.013 6.915 2.676 176 H ASP 26 H ASP 26 5.220 5.244 2.846 177 HA ASP 26 HA ASP 26 5.858 5.245 5.592 178 1HB ASP 26 2HB ASP 26 7.286 7.219 5.732 179 2HB ASP 26 1HB ASP 26 8.076 5.997 4.742 180 H GLY 27 H GLY 27 5.024 7.069 2.761 181 1HA GLY 27 2HA GLY 27 2.482 7.871 3.776 182 2HA GLY 27 1HA GLY 27 3.622 9.217 3.723 183 H SER 28 H SER 28 5.097 8.312 1.491 184 HA SER 28 HA SER 28 3.331 9.183 -0.626 185 1HB SER 28 2HB SER 28 6.249 8.383 -0.764 186 2HB SER 28 1HB SER 28 5.344 9.290 -1.976 187 HG SER 28 HG SER 28 5.280 10.375 0.556 188 H VAL 29 H VAL 29 2.530 7.926 -2.244 189 HA VAL 29 HA VAL 29 2.405 5.118 -1.867 190 HB VAL 29 HB VAL 29 1.586 6.658 -4.331 191 1HG1 VAL 29 1HG1 VAL 29 0.453 4.084 -3.254 192 2HG1 VAL 29 2HG1 VAL 29 1.716 4.153 -4.483 193 3HG1 VAL 29 3HG1 VAL 29 0.125 4.844 -4.810 194 1HG2 VAL 29 1HG2 VAL 29 -0.706 6.188 -2.902 195 2HG2 VAL 29 2HG2 VAL 29 0.162 7.722 -2.973 196 3HG2 VAL 29 3HG2 VAL 29 0.455 6.604 -1.641 197 H LEU 30 H LEU 30 4.430 7.185 -3.685 198 HA LEU 30 HA LEU 30 5.362 5.459 -5.668 199 1HB LEU 30 2HB LEU 30 7.433 6.936 -5.617 200 2HB LEU 30 1HB LEU 30 5.899 7.706 -5.962 201 HG LEU 30 HG LEU 30 5.887 8.273 -3.422 202 1HD1 LEU 30 1HD1 LEU 30 8.843 8.302 -3.667 203 2HD1 LEU 30 2HD1 LEU 30 8.060 6.780 -3.239 204 3HD1 LEU 30 3HD1 LEU 30 7.822 8.207 -2.232 205 1HD2 LEU 30 1HD2 LEU 30 7.968 9.777 -4.928 206 2HD2 LEU 30 2HD2 LEU 30 6.631 10.375 -3.944 207 3HD2 LEU 30 3HD2 LEU 30 6.319 9.730 -5.556 208 H ASN 31 H ASN 31 7.253 4.239 -5.854 209 HA ASN 31 HA ASN 31 8.822 2.730 -5.255 210 1HB ASN 31 2HB ASN 31 8.865 4.373 -2.730 211 2HB ASN 31 1HB ASN 31 9.852 2.925 -2.914 212 1HD2 ASN 31 1HD2 ASN 31 9.960 6.151 -3.109 213 2HD2 ASN 31 2HD2 ASN 31 11.215 6.349 -4.277 Start of MODEL 3 1 H CYS 1 H CYS 1 5.865 2.963 -3.257 2 HA CYS 1 HA CYS 1 5.513 0.163 -4.023 3 1HB CYS 1 2HB CYS 1 6.042 0.722 -1.629 4 2HB CYS 1 1HB CYS 1 4.471 1.517 -1.525 5 H GLY 2 H GLY 2 4.366 1.193 -5.936 6 1HA GLY 2 2HA GLY 2 1.749 2.272 -5.561 7 2HA GLY 2 1HA GLY 2 2.436 1.712 -7.078 8 H GLU 3 H GLU 3 1.212 0.443 -4.004 9 HA GLU 3 HA GLU 3 -0.353 -1.543 -5.469 10 1HB GLU 3 2HB GLU 3 1.693 -2.720 -4.909 11 2HB GLU 3 1HB GLU 3 1.612 -2.159 -3.248 12 1HG GLU 3 2HG GLU 3 0.981 -4.489 -3.407 13 2HG GLU 3 1HG GLU 3 -0.381 -3.511 -2.877 14 H THR 4 H THR 4 -2.009 -2.521 -4.112 15 HA THR 4 HA THR 4 -2.803 -0.768 -1.870 16 HB THR 4 HB THR 4 -5.174 -1.345 -2.500 17 HG1 THR 4 1HG THR 4 -3.775 -2.565 -4.620 18 1HG2 THR 4 1HG2 THR 4 -5.221 0.224 -4.480 19 2HG2 THR 4 2HG2 THR 4 -3.459 0.240 -4.405 20 3HG2 THR 4 3HG2 THR 4 -4.405 0.839 -3.043 21 H CYS 5 H CYS 5 -3.995 -1.812 -0.156 22 HA CYS 5 HA CYS 5 -3.147 -4.587 0.158 23 1HB CYS 5 2HB CYS 5 -4.775 -3.120 2.209 24 2HB CYS 5 1HB CYS 5 -3.589 -4.391 2.442 25 H LEU 6 H LEU 6 -4.783 -4.632 -1.823 26 HA LEU 6 HA LEU 6 -7.529 -4.693 -1.428 27 1HB LEU 6 2HB LEU 6 -6.427 -4.781 -3.625 28 2HB LEU 6 1HB LEU 6 -5.889 -6.415 -3.285 29 HG LEU 6 HG LEU 6 -8.267 -7.135 -3.184 30 1HD1 LEU 6 1HD1 LEU 6 -8.773 -4.407 -3.014 31 2HD1 LEU 6 2HD1 LEU 6 -9.961 -5.698 -3.195 32 3HD1 LEU 6 3HD1 LEU 6 -9.333 -4.871 -4.620 33 1HD2 LEU 6 1HD2 LEU 6 -6.914 -6.075 -5.584 34 2HD2 LEU 6 2HD2 LEU 6 -8.626 -6.468 -5.754 35 3HD2 LEU 6 3HD2 LEU 6 -7.485 -7.705 -5.227 36 H LEU 7 H LEU 7 -5.143 -7.224 -0.898 37 HA LEU 7 HA LEU 7 -7.114 -9.197 -0.198 38 1HB LEU 7 2HB LEU 7 -4.106 -9.152 0.015 39 2HB LEU 7 1HB LEU 7 -5.080 -10.507 0.547 40 HG LEU 7 HG LEU 7 -4.251 -11.078 -1.583 41 1HD1 LEU 7 1HD1 LEU 7 -6.863 -10.187 -2.579 42 2HD1 LEU 7 2HD1 LEU 7 -6.895 -11.081 -1.058 43 3HD1 LEU 7 3HD1 LEU 7 -6.166 -11.804 -2.492 44 1HD2 LEU 7 1HD2 LEU 7 -4.864 -9.545 -3.579 45 2HD2 LEU 7 2HD2 LEU 7 -3.467 -9.148 -2.578 46 3HD2 LEU 7 3HD2 LEU 7 -4.989 -8.287 -2.350 47 H GLY 8 H GLY 8 -5.673 -6.597 1.373 48 1HA GLY 8 2HA GLY 8 -6.820 -6.224 3.597 49 2HA GLY 8 1HA GLY 8 -6.170 -7.803 4.018 50 H THR 9 H THR 9 -3.667 -7.444 2.660 51 HA THR 9 HA THR 9 -2.414 -5.146 3.901 52 HB THR 9 HB THR 9 -1.478 -7.934 4.643 53 HG1 THR 9 1HG THR 9 -3.407 -6.324 5.746 54 1HG2 THR 9 1HG2 THR 9 -0.144 -5.478 4.697 55 2HG2 THR 9 2HG2 THR 9 0.340 -6.967 5.508 56 3HG2 THR 9 3HG2 THR 9 -0.635 -5.773 6.365 57 H CYS 10 H CYS 10 -0.342 -4.718 3.065 58 HA CYS 10 HA CYS 10 0.068 -5.396 0.371 59 1HB CYS 10 2HB CYS 10 2.206 -4.352 2.218 60 2HB CYS 10 1HB CYS 10 2.034 -4.074 0.488 61 H TYR 11 H TYR 11 1.357 -6.847 -0.634 62 HA TYR 11 HA TYR 11 2.378 -9.048 0.927 63 1HB TYR 11 2HB TYR 11 2.209 -8.485 -2.028 64 2HB TYR 11 1HB TYR 11 3.126 -9.855 -1.409 65 HD1 TYR 11 1HD TYR 11 1.983 -11.801 -1.845 66 HD2 TYR 11 2HD TYR 11 -0.212 -8.418 -0.487 67 HE1 TYR 11 1HE TYR 11 -0.065 -13.160 -1.785 68 HE2 TYR 11 2HE TYR 11 -2.264 -9.769 -0.422 69 HH TYR 11 HH TYR 11 -2.354 -12.978 -0.383 70 H THR 12 H THR 12 3.582 -6.246 -0.730 71 HA THR 12 HA THR 12 6.328 -7.021 -0.757 72 HB THR 12 HB THR 12 5.561 -4.155 -0.774 73 HG1 THR 12 1HG THR 12 4.737 -4.356 -2.889 74 1HG2 THR 12 1HG2 THR 12 7.891 -5.147 -1.196 75 2HG2 THR 12 2HG2 THR 12 7.296 -3.946 -2.344 76 3HG2 THR 12 3HG2 THR 12 7.245 -5.661 -2.755 77 H THR 13 H THR 13 7.919 -6.525 0.640 78 HA THR 13 HA THR 13 7.186 -5.898 3.347 79 HB THR 13 HB THR 13 9.695 -6.147 3.723 80 HG1 THR 13 1HG THR 13 10.183 -5.721 1.438 81 1HG2 THR 13 1HG2 THR 13 7.876 -8.284 2.700 82 2HG2 THR 13 2HG2 THR 13 8.523 -8.042 4.322 83 3HG2 THR 13 3HG2 THR 13 9.558 -8.683 3.046 84 H GLY 14 H GLY 14 7.524 -4.027 4.430 85 1HA GLY 14 2HA GLY 14 8.656 -1.979 4.841 86 2HA GLY 14 1HA GLY 14 9.130 -1.925 3.153 87 H CYS 15 H CYS 15 6.185 -2.795 2.729 88 HA CYS 15 HA CYS 15 5.209 -0.073 2.435 89 1HB CYS 15 2HB CYS 15 4.005 -2.688 1.504 90 2HB CYS 15 1HB CYS 15 3.419 -1.081 1.086 91 H THR 16 H THR 16 3.412 0.745 3.426 92 HA THR 16 HA THR 16 2.283 -0.877 5.610 93 HB THR 16 HB THR 16 1.794 1.371 6.687 94 HG1 THR 16 1HG THR 16 3.857 2.398 5.042 95 1HG2 THR 16 1HG2 THR 16 3.547 0.072 7.620 96 2HG2 THR 16 2HG2 THR 16 4.196 1.700 7.421 97 3HG2 THR 16 3HG2 THR 16 4.627 0.433 6.272 98 H CYS 17 H CYS 17 0.017 -0.626 6.008 99 HA CYS 17 HA CYS 17 -1.411 0.054 3.579 100 1HB CYS 17 2HB CYS 17 -2.242 -1.340 6.121 101 2HB CYS 17 1HB CYS 17 -3.400 -0.889 4.872 102 H ASN 18 H ASN 18 -2.106 1.966 3.254 103 HA ASN 18 HA ASN 18 -2.566 3.871 5.390 104 1HB ASN 18 2HB ASN 18 -1.517 4.923 3.594 105 2HB ASN 18 1HB ASN 18 -2.397 3.983 2.397 106 1HD2 ASN 18 1HD2 ASN 18 -3.826 5.058 1.297 107 2HD2 ASN 18 2HD2 ASN 18 -4.660 6.482 1.807 108 H LYS 19 H LYS 19 -4.568 4.849 5.760 109 HA LYS 19 HA LYS 19 -6.760 3.378 6.155 110 1HB LYS 19 2HB LYS 19 -8.091 5.439 6.191 111 2HB LYS 19 1HB LYS 19 -6.541 5.639 6.995 112 1HG LYS 19 2HG LYS 19 -5.656 6.840 5.111 113 2HG LYS 19 1HG LYS 19 -7.113 6.514 4.171 114 1HD LYS 19 2HD LYS 19 -7.215 8.766 4.996 115 2HD LYS 19 1HD LYS 19 -8.415 7.795 5.849 116 1HE LYS 19 2HE LYS 19 -6.912 7.588 7.757 117 2HE LYS 19 1HE LYS 19 -5.682 8.519 6.903 118 1HZ LYS 19 1HZ LYS 19 -6.968 10.455 7.031 119 2HZ LYS 19 2HZ LYS 19 -7.101 9.757 8.567 120 3HZ LYS 19 3HZ LYS 19 -8.373 9.616 7.462 121 H TYR 20 H TYR 20 -6.080 4.998 3.082 122 HA TYR 20 HA TYR 20 -8.608 4.219 1.940 123 1HB TYR 20 2HB TYR 20 -7.160 6.272 1.326 124 2HB TYR 20 1HB TYR 20 -6.220 5.141 0.361 125 HD1 TYR 20 1HD TYR 20 -9.896 5.510 0.907 126 HD2 TYR 20 2HD TYR 20 -6.678 5.521 -1.874 127 HE1 TYR 20 1HE TYR 20 -11.499 5.776 -0.936 128 HE2 TYR 20 2HE TYR 20 -8.271 5.787 -3.726 129 HH TYR 20 HH TYR 20 -10.905 5.135 -3.996 130 H ARG 21 H ARG 21 -6.633 2.254 2.994 131 HA ARG 21 HA ARG 21 -5.821 0.206 2.611 132 1HB ARG 21 2HB ARG 21 -8.266 -0.079 1.956 133 2HB ARG 21 1HB ARG 21 -7.750 0.075 0.283 134 1HG ARG 21 2HG ARG 21 -6.354 -1.897 0.511 135 2HG ARG 21 1HG ARG 21 -6.810 -2.038 2.208 136 1HD ARG 21 2HD ARG 21 -8.704 -2.203 -0.132 137 2HD ARG 21 1HD ARG 21 -8.067 -3.580 0.763 138 HE ARG 21 HE ARG 21 -9.383 -1.695 2.459 139 1HH1 ARG 21 1HH1 ARG 21 -9.879 -4.394 0.292 140 2HH1 ARG 21 2HH1 ARG 21 -11.417 -4.824 0.961 141 1HH2 ARG 21 1HH2 ARG 21 -11.421 -2.252 3.356 142 2HH2 ARG 21 2HH2 ARG 21 -12.298 -3.599 2.712 143 H VAL 22 H VAL 22 -4.386 2.264 1.598 144 HA VAL 22 HA VAL 22 -3.289 1.079 -0.896 145 HB VAL 22 HB VAL 22 -3.159 3.986 -0.053 146 1HG1 VAL 22 1HG1 VAL 22 -1.236 2.875 -1.440 147 2HG1 VAL 22 2HG1 VAL 22 -1.874 4.453 -1.902 148 3HG1 VAL 22 3HG1 VAL 22 -2.394 3.003 -2.763 149 1HG2 VAL 22 1HG2 VAL 22 -4.558 2.935 -2.485 150 2HG2 VAL 22 2HG2 VAL 22 -4.769 4.479 -1.656 151 3HG2 VAL 22 3HG2 VAL 22 -5.375 2.993 -0.922 152 H CYS 23 H CYS 23 -1.156 0.577 -0.981 153 HA CYS 23 HA CYS 23 0.306 0.511 1.495 154 1HB CYS 23 2HB CYS 23 1.150 -0.239 -1.315 155 2HB CYS 23 1HB CYS 23 2.031 -0.624 0.161 156 H THR 24 H THR 24 1.767 1.837 2.208 157 HA THR 24 HA THR 24 2.933 3.848 0.404 158 HB THR 24 HB THR 24 3.005 5.300 2.552 159 HG1 THR 24 1HG THR 24 2.242 3.545 3.935 160 1HG2 THR 24 1HG2 THR 24 1.091 5.012 0.487 161 2HG2 THR 24 2HG2 THR 24 1.458 6.451 1.440 162 3HG2 THR 24 3HG2 THR 24 0.208 5.331 1.979 163 H LYS 25 H LYS 25 5.146 4.226 0.687 164 HA LYS 25 HA LYS 25 6.546 2.180 2.157 165 1HB LYS 25 2HB LYS 25 8.604 3.230 1.247 166 2HB LYS 25 1HB LYS 25 7.438 2.801 0.007 167 1HG LYS 25 2HG LYS 25 6.736 5.155 -0.125 168 2HG LYS 25 1HG LYS 25 7.951 5.568 1.088 169 1HD LYS 25 2HD LYS 25 9.690 4.628 -0.431 170 2HD LYS 25 1HD LYS 25 8.440 4.414 -1.655 171 1HE LYS 25 2HE LYS 25 9.516 6.442 -2.186 172 2HE LYS 25 1HE LYS 25 7.987 6.894 -1.434 173 1HZ LYS 25 1HZ LYS 25 10.231 8.011 -0.722 174 2HZ LYS 25 2HZ LYS 25 10.357 6.652 0.282 175 3HZ LYS 25 3HZ LYS 25 9.028 7.687 0.425 176 H ASP 26 H ASP 26 8.660 4.566 2.499 177 HA ASP 26 HA ASP 26 8.637 4.745 5.249 178 1HB ASP 26 2HB ASP 26 9.883 7.006 4.758 179 2HB ASP 26 1HB ASP 26 10.613 5.478 4.271 180 H GLY 27 H GLY 27 7.256 7.014 2.924 181 1HA GLY 27 2HA GLY 27 5.038 7.680 4.559 182 2HA GLY 27 1HA GLY 27 6.264 8.942 4.645 183 H SER 28 H SER 28 5.442 6.881 1.911 184 HA SER 28 HA SER 28 4.056 8.999 0.517 185 1HB SER 28 2HB SER 28 6.684 7.959 -0.581 186 2HB SER 28 1HB SER 28 5.615 9.126 -1.357 187 HG SER 28 HG SER 28 6.179 10.017 1.086 188 H VAL 29 H VAL 29 2.840 8.239 -1.190 189 HA VAL 29 HA VAL 29 2.258 5.455 -1.243 190 HB VAL 29 HB VAL 29 1.367 7.566 -3.214 191 1HG1 VAL 29 1HG1 VAL 29 1.072 5.020 -3.660 192 2HG1 VAL 29 2HG1 VAL 29 -0.280 6.121 -3.934 193 3HG1 VAL 29 3HG1 VAL 29 -0.218 5.149 -2.463 194 1HG2 VAL 29 1HG2 VAL 29 0.538 8.484 -1.299 195 2HG2 VAL 29 2HG2 VAL 29 0.459 6.936 -0.458 196 3HG2 VAL 29 3HG2 VAL 29 -0.763 7.348 -1.660 197 H LEU 30 H LEU 30 4.190 7.598 -3.085 198 HA LEU 30 HA LEU 30 4.567 6.201 -5.454 199 1HB LEU 30 2HB LEU 30 6.432 8.028 -3.948 200 2HB LEU 30 1HB LEU 30 6.799 7.390 -5.537 201 HG LEU 30 HG LEU 30 4.611 8.493 -6.300 202 1HD1 LEU 30 1HD1 LEU 30 3.632 10.162 -5.022 203 2HD1 LEU 30 2HD1 LEU 30 5.012 10.276 -3.929 204 3HD1 LEU 30 3HD1 LEU 30 3.931 8.885 -3.845 205 1HD2 LEU 30 1HD2 LEU 30 5.743 10.727 -6.463 206 2HD2 LEU 30 2HD2 LEU 30 6.696 9.355 -7.030 207 3HD2 LEU 30 3HD2 LEU 30 7.029 10.068 -5.452 208 H ASN 31 H ASN 31 6.328 4.947 -6.195 209 HA ASN 31 HA ASN 31 7.941 3.347 -6.163 210 1HB ASN 31 2HB ASN 31 9.016 4.616 -4.294 211 2HB ASN 31 1HB ASN 31 8.068 3.670 -3.158 212 1HD2 ASN 31 1HD2 ASN 31 8.852 1.695 -5.730 213 2HD2 ASN 31 2HD2 ASN 31 10.273 0.968 -5.069 Start of MODEL 4 1 H CYS 1 H CYS 1 5.879 1.947 -4.918 2 HA CYS 1 HA CYS 1 5.888 -0.561 -3.629 3 1HB CYS 1 2HB CYS 1 5.645 0.913 -1.611 4 2HB CYS 1 1HB CYS 1 4.138 1.521 -2.291 5 H GLY 2 H GLY 2 3.344 1.924 -4.073 6 1HA GLY 2 2HA GLY 2 1.649 2.049 -5.633 7 2HA GLY 2 1HA GLY 2 2.434 0.761 -6.528 8 H GLU 3 H GLU 3 2.393 -1.138 -4.370 9 HA GLU 3 HA GLU 3 0.002 -2.442 -4.865 10 1HB GLU 3 2HB GLU 3 1.936 -3.643 -4.111 11 2HB GLU 3 1HB GLU 3 1.974 -2.739 -2.608 12 1HG GLU 3 2HG GLU 3 0.066 -3.836 -1.779 13 2HG GLU 3 1HG GLU 3 -0.312 -4.519 -3.352 14 H THR 4 H THR 4 -1.781 -2.896 -3.601 15 HA THR 4 HA THR 4 -2.418 -0.951 -1.488 16 HB THR 4 HB THR 4 -4.831 -1.220 -2.267 17 HG1 THR 4 1HG THR 4 -3.781 -1.873 -4.793 18 1HG2 THR 4 1HG2 THR 4 -4.617 0.470 -4.027 19 2HG2 THR 4 2HG2 THR 4 -2.892 0.124 -4.156 20 3HG2 THR 4 3HG2 THR 4 -3.543 0.825 -2.673 21 H CYS 5 H CYS 5 -3.888 -1.787 0.171 22 HA CYS 5 HA CYS 5 -3.432 -4.638 0.550 23 1HB CYS 5 2HB CYS 5 -5.026 -3.124 2.543 24 2HB CYS 5 1HB CYS 5 -3.783 -4.333 2.784 25 H LEU 6 H LEU 6 -5.002 -4.388 -1.524 26 HA LEU 6 HA LEU 6 -7.781 -4.296 -1.026 27 1HB LEU 6 2HB LEU 6 -6.606 -4.096 -3.265 28 2HB LEU 6 1HB LEU 6 -6.386 -5.831 -3.224 29 HG LEU 6 HG LEU 6 -9.152 -4.709 -2.995 30 1HD1 LEU 6 1HD1 LEU 6 -8.402 -3.528 -4.894 31 2HD1 LEU 6 2HD1 LEU 6 -9.253 -4.939 -5.518 32 3HD1 LEU 6 3HD1 LEU 6 -7.491 -4.914 -5.492 33 1HD2 LEU 6 1HD2 LEU 6 -8.424 -7.090 -4.608 34 2HD2 LEU 6 2HD2 LEU 6 -9.834 -6.798 -3.589 35 3HD2 LEU 6 3HD2 LEU 6 -8.289 -7.225 -2.854 36 H LEU 7 H LEU 7 -5.374 -6.820 -0.939 37 HA LEU 7 HA LEU 7 -7.297 -8.916 -0.403 38 1HB LEU 7 2HB LEU 7 -5.057 -9.111 -1.674 39 2HB LEU 7 1HB LEU 7 -4.316 -9.119 -0.091 40 HG LEU 7 HG LEU 7 -5.623 -11.133 0.498 41 1HD1 LEU 7 1HD1 LEU 7 -7.060 -12.208 -0.941 42 2HD1 LEU 7 2HD1 LEU 7 -6.354 -11.465 -2.376 43 3HD1 LEU 7 3HD1 LEU 7 -7.396 -10.518 -1.314 44 1HD2 LEU 7 1HD2 LEU 7 -3.670 -11.040 -1.730 45 2HD2 LEU 7 2HD2 LEU 7 -4.489 -12.571 -1.429 46 3HD2 LEU 7 3HD2 LEU 7 -3.551 -11.806 -0.146 47 H GLY 8 H GLY 8 -6.382 -6.438 1.430 48 1HA GLY 8 2HA GLY 8 -7.019 -6.451 3.764 49 2HA GLY 8 1HA GLY 8 -6.374 -8.085 3.878 50 H THR 9 H THR 9 -4.014 -7.514 2.316 51 HA THR 9 HA THR 9 -2.610 -5.453 3.798 52 HB THR 9 HB THR 9 -1.308 -8.164 3.836 53 HG1 THR 9 1HG THR 9 -3.444 -7.286 5.459 54 1HG2 THR 9 1HG2 THR 9 0.166 -7.175 5.217 55 2HG2 THR 9 2HG2 THR 9 -1.109 -6.412 6.168 56 3HG2 THR 9 3HG2 THR 9 -0.543 -5.655 4.678 57 H CYS 10 H CYS 10 0.014 -6.404 3.034 58 HA CYS 10 HA CYS 10 -0.133 -6.453 0.103 59 1HB CYS 10 2HB CYS 10 1.560 -4.564 1.741 60 2HB CYS 10 1HB CYS 10 1.536 -4.657 -0.012 61 H TYR 11 H TYR 11 1.575 -7.390 -0.938 62 HA TYR 11 HA TYR 11 3.088 -9.273 0.645 63 1HB TYR 11 2HB TYR 11 2.861 -8.785 -2.323 64 2HB TYR 11 1HB TYR 11 3.969 -9.968 -1.643 65 HD1 TYR 11 1HD TYR 11 3.225 -12.123 -1.859 66 HD2 TYR 11 2HD TYR 11 0.365 -9.067 -1.094 67 HE1 TYR 11 1HE TYR 11 1.434 -13.806 -1.855 68 HE2 TYR 11 2HE TYR 11 -1.432 -10.744 -1.085 69 HH TYR 11 HH TYR 11 -1.713 -13.144 -2.193 70 H THR 12 H THR 12 3.614 -6.223 -0.925 71 HA THR 12 HA THR 12 6.452 -6.435 -1.119 72 HB THR 12 HB THR 12 5.073 -3.803 -0.804 73 HG1 THR 12 1HG THR 12 3.809 -4.956 -2.319 74 1HG2 THR 12 1HG2 THR 12 7.639 -4.282 -1.152 75 2HG2 THR 12 2HG2 THR 12 6.849 -2.929 -1.961 76 3HG2 THR 12 3HG2 THR 12 7.149 -4.429 -2.839 77 H THR 13 H THR 13 8.024 -5.787 0.193 78 HA THR 13 HA THR 13 7.424 -5.612 3.011 79 HB THR 13 HB THR 13 9.962 -5.622 3.203 80 HG1 THR 13 1HG THR 13 10.166 -4.891 0.917 81 1HG2 THR 13 1HG2 THR 13 8.314 -7.819 2.023 82 2HG2 THR 13 2HG2 THR 13 9.026 -7.692 3.632 83 3HG2 THR 13 3HG2 THR 13 10.048 -8.059 2.242 84 H GLY 14 H GLY 14 7.668 -3.865 4.299 85 1HA GLY 14 2HA GLY 14 8.473 -1.765 4.948 86 2HA GLY 14 1HA GLY 14 9.068 -1.504 3.318 87 H CYS 15 H CYS 15 6.091 -2.597 2.830 88 HA CYS 15 HA CYS 15 5.033 0.086 2.495 89 1HB CYS 15 2HB CYS 15 3.964 -2.601 1.615 90 2HB CYS 15 1HB CYS 15 3.212 -1.054 1.245 91 H THR 16 H THR 16 3.361 0.930 3.606 92 HA THR 16 HA THR 16 2.246 -0.705 5.786 93 HB THR 16 HB THR 16 1.717 1.561 6.832 94 HG1 THR 16 1HG THR 16 3.712 2.475 5.004 95 1HG2 THR 16 1HG2 THR 16 3.644 0.013 7.442 96 2HG2 THR 16 2HG2 THR 16 3.826 1.709 7.892 97 3HG2 THR 16 3HG2 THR 16 4.669 1.077 6.477 98 H CYS 17 H CYS 17 -0.029 -0.480 6.222 99 HA CYS 17 HA CYS 17 -1.511 0.065 3.800 100 1HB CYS 17 2HB CYS 17 -2.219 -1.205 6.429 101 2HB CYS 17 1HB CYS 17 -3.475 -0.737 5.288 102 H ASN 18 H ASN 18 -2.127 1.988 3.359 103 HA ASN 18 HA ASN 18 -2.614 3.979 5.413 104 1HB ASN 18 2HB ASN 18 -1.428 4.921 3.633 105 2HB ASN 18 1HB ASN 18 -2.323 4.011 2.424 106 1HD2 ASN 18 1HD2 ASN 18 -3.725 5.089 1.298 107 2HD2 ASN 18 2HD2 ASN 18 -4.470 6.585 1.740 108 H LYS 19 H LYS 19 -4.558 5.041 5.634 109 HA LYS 19 HA LYS 19 -6.843 3.771 6.044 110 1HB LYS 19 2HB LYS 19 -8.014 5.919 5.823 111 2HB LYS 19 1HB LYS 19 -6.468 6.098 6.641 112 1HG LYS 19 2HG LYS 19 -5.492 6.812 4.444 113 2HG LYS 19 1HG LYS 19 -7.133 6.834 3.801 114 1HD LYS 19 2HD LYS 19 -6.606 9.058 4.432 115 2HD LYS 19 1HD LYS 19 -7.720 8.427 5.645 116 1HE LYS 19 2HE LYS 19 -5.930 9.645 6.731 117 2HE LYS 19 1HE LYS 19 -5.799 7.929 7.111 118 1HZ LYS 19 1HZ LYS 19 -4.103 9.559 5.330 119 2HZ LYS 19 2HZ LYS 19 -4.177 7.880 5.131 120 3HZ LYS 19 3HZ LYS 19 -3.639 8.537 6.595 121 H TYR 20 H TYR 20 -6.014 5.148 2.885 122 HA TYR 20 HA TYR 20 -8.518 4.362 1.703 123 1HB TYR 20 2HB TYR 20 -6.863 6.311 1.057 124 2HB TYR 20 1HB TYR 20 -6.122 5.065 0.059 125 HD1 TYR 20 1HD TYR 20 -9.663 5.962 0.843 126 HD2 TYR 20 2HD TYR 20 -6.708 5.350 -2.156 127 HE1 TYR 20 1HE TYR 20 -11.351 6.373 -0.892 128 HE2 TYR 20 2HE TYR 20 -8.391 5.760 -3.903 129 HH TYR 20 HH TYR 20 -10.945 5.573 -4.080 130 H ARG 21 H ARG 21 -6.623 2.395 2.910 131 HA ARG 21 HA ARG 21 -5.879 0.300 2.638 132 1HB ARG 21 2HB ARG 21 -8.368 0.373 1.526 133 2HB ARG 21 1HB ARG 21 -7.421 -0.203 0.161 134 1HG ARG 21 2HG ARG 21 -8.400 -2.024 1.483 135 2HG ARG 21 1HG ARG 21 -6.637 -2.085 1.445 136 1HD ARG 21 2HD ARG 21 -7.721 -2.505 3.692 137 2HD ARG 21 1HD ARG 21 -6.461 -1.270 3.653 138 HE ARG 21 HE ARG 21 -8.924 -0.010 3.250 139 1HH1 ARG 21 1HH1 ARG 21 -7.266 -1.767 5.778 140 2HH1 ARG 21 2HH1 ARG 21 -8.023 -0.894 7.067 141 1HH2 ARG 21 1HH2 ARG 21 -9.920 1.167 4.941 142 2HH2 ARG 21 2HH2 ARG 21 -9.544 0.782 6.588 143 H VAL 22 H VAL 22 -4.357 2.292 1.582 144 HA VAL 22 HA VAL 22 -3.201 0.975 -0.815 145 HB VAL 22 HB VAL 22 -2.999 3.898 -0.055 146 1HG1 VAL 22 1HG1 VAL 22 -1.138 3.833 -1.293 147 2HG1 VAL 22 2HG1 VAL 22 -2.222 3.669 -2.674 148 3HG1 VAL 22 3HG1 VAL 22 -1.513 2.233 -1.935 149 1HG2 VAL 22 1HG2 VAL 22 -5.226 3.043 -0.942 150 2HG2 VAL 22 2HG2 VAL 22 -4.383 2.763 -2.467 151 3HG2 VAL 22 3HG2 VAL 22 -4.487 4.394 -1.804 152 H CYS 23 H CYS 23 -1.123 0.280 -0.702 153 HA CYS 23 HA CYS 23 0.230 0.623 1.831 154 1HB CYS 23 2HB CYS 23 0.481 -1.221 -0.418 155 2HB CYS 23 1HB CYS 23 1.966 -0.861 0.444 156 H THR 24 H THR 24 1.624 1.994 2.261 157 HA THR 24 HA THR 24 3.082 3.397 0.120 158 HB THR 24 HB THR 24 3.143 5.337 1.759 159 HG1 THR 24 1HG THR 24 2.441 3.909 3.573 160 1HG2 THR 24 1HG2 THR 24 1.593 6.037 0.308 161 2HG2 THR 24 2HG2 THR 24 0.378 5.429 1.433 162 3HG2 THR 24 3HG2 THR 24 0.947 4.408 0.111 163 H LYS 25 H LYS 25 5.260 3.272 0.261 164 HA LYS 25 HA LYS 25 6.401 1.884 2.534 165 1HB LYS 25 2HB LYS 25 7.160 1.192 0.356 166 2HB LYS 25 1HB LYS 25 7.598 2.841 -0.070 167 1HG LYS 25 2HG LYS 25 9.370 2.831 1.581 168 2HG LYS 25 1HG LYS 25 8.901 1.211 2.102 169 1HD LYS 25 2HD LYS 25 9.626 0.236 0.101 170 2HD LYS 25 1HD LYS 25 9.657 1.784 -0.745 171 1HE LYS 25 2HE LYS 25 11.471 1.105 1.561 172 2HE LYS 25 1HE LYS 25 11.908 0.853 -0.129 173 1HZ LYS 25 1HZ LYS 25 11.214 3.467 1.126 174 2HZ LYS 25 2HZ LYS 25 11.599 3.233 -0.511 175 3HZ LYS 25 3HZ LYS 25 12.766 2.954 0.679 176 H ASP 26 H ASP 26 7.671 4.681 0.758 177 HA ASP 26 HA ASP 26 8.685 5.790 3.245 178 1HB ASP 26 2HB ASP 26 9.011 6.674 0.371 179 2HB ASP 26 1HB ASP 26 9.766 7.460 1.750 180 H GLY 27 H GLY 27 6.053 5.812 3.388 181 1HA GLY 27 2HA GLY 27 4.371 7.267 4.042 182 2HA GLY 27 1HA GLY 27 5.399 8.611 3.565 183 H SER 28 H SER 28 5.855 7.976 0.923 184 HA SER 28 HA SER 28 3.315 8.711 -0.257 185 1HB SER 28 2HB SER 28 6.035 8.381 -1.552 186 2HB SER 28 1HB SER 28 4.626 9.174 -2.260 187 HG SER 28 HG SER 28 5.972 10.006 0.100 188 H VAL 29 H VAL 29 2.443 7.621 -2.120 189 HA VAL 29 HA VAL 29 2.253 4.828 -1.836 190 HB VAL 29 HB VAL 29 1.517 6.445 -4.280 191 1HG1 VAL 29 1HG1 VAL 29 1.564 3.889 -4.387 192 2HG1 VAL 29 2HG1 VAL 29 0.084 4.702 -4.898 193 3HG1 VAL 29 3HG1 VAL 29 0.170 3.947 -3.307 194 1HG2 VAL 29 1HG2 VAL 29 -0.341 5.760 -2.024 195 2HG2 VAL 29 2HG2 VAL 29 -0.577 6.917 -3.333 196 3HG2 VAL 29 3HG2 VAL 29 0.586 7.261 -2.052 197 H LEU 30 H LEU 30 4.338 6.853 -3.618 198 HA LEU 30 HA LEU 30 5.266 5.153 -5.625 199 1HB LEU 30 2HB LEU 30 6.759 7.314 -4.136 200 2HB LEU 30 1HB LEU 30 7.281 6.580 -5.641 201 HG LEU 30 HG LEU 30 4.771 8.220 -5.271 202 1HD1 LEU 30 1HD1 LEU 30 7.482 8.846 -6.391 203 2HD1 LEU 30 2HD1 LEU 30 6.558 9.726 -5.174 204 3HD1 LEU 30 3HD1 LEU 30 6.046 9.755 -6.860 205 1HD2 LEU 30 1HD2 LEU 30 4.082 7.167 -7.113 206 2HD2 LEU 30 2HD2 LEU 30 5.657 6.414 -7.367 207 3HD2 LEU 30 3HD2 LEU 30 5.353 8.045 -7.964 208 H ASN 31 H ASN 31 7.158 3.913 -5.780 209 HA ASN 31 HA ASN 31 8.691 2.362 -5.166 210 1HB ASN 31 2HB ASN 31 9.516 4.337 -3.715 211 2HB ASN 31 1HB ASN 31 8.744 3.502 -2.376 212 1HD2 ASN 31 1HD2 ASN 31 9.842 1.235 -4.565 213 2HD2 ASN 31 2HD2 ASN 31 11.356 0.870 -3.829 Start of MODEL 5 1 H CYS 1 H CYS 1 6.446 3.758 -2.981 2 HA CYS 1 HA CYS 1 5.646 1.155 -4.014 3 1HB CYS 1 2HB CYS 1 6.620 0.616 -1.824 4 2HB CYS 1 1HB CYS 1 5.575 1.805 -1.056 5 H GLY 2 H GLY 2 3.692 1.287 -4.797 6 1HA GLY 2 2HA GLY 2 1.739 3.118 -3.580 7 2HA GLY 2 1HA GLY 2 2.018 3.161 -5.319 8 H GLU 3 H GLU 3 2.037 0.381 -3.227 9 HA GLU 3 HA GLU 3 0.262 -1.113 -4.915 10 1HB GLU 3 2HB GLU 3 2.293 -1.816 -3.343 11 2HB GLU 3 1HB GLU 3 1.005 -1.999 -2.166 12 1HG GLU 3 2HG GLU 3 -0.100 -3.617 -3.574 13 2HG GLU 3 1HG GLU 3 1.102 -3.369 -4.837 14 H THR 4 H THR 4 -1.461 -2.444 -3.609 15 HA THR 4 HA THR 4 -2.941 -0.673 -1.803 16 HB THR 4 HB THR 4 -5.078 -1.480 -2.896 17 HG1 THR 4 1HG THR 4 -3.269 -2.043 -5.033 18 1HG2 THR 4 1HG2 THR 4 -3.538 0.751 -3.361 19 2HG2 THR 4 2HG2 THR 4 -5.200 0.520 -3.906 20 3HG2 THR 4 3HG2 THR 4 -3.858 0.154 -4.989 21 H CYS 5 H CYS 5 -4.211 -1.731 -0.277 22 HA CYS 5 HA CYS 5 -3.352 -4.477 0.178 23 1HB CYS 5 2HB CYS 5 -5.304 -3.148 2.000 24 2HB CYS 5 1HB CYS 5 -3.993 -4.246 2.377 25 H LEU 6 H LEU 6 -4.686 -4.697 -1.978 26 HA LEU 6 HA LEU 6 -7.481 -4.854 -1.871 27 1HB LEU 6 2HB LEU 6 -7.397 -6.119 -3.889 28 2HB LEU 6 1HB LEU 6 -6.128 -4.918 -3.966 29 HG LEU 6 HG LEU 6 -5.572 -7.769 -3.162 30 1HD1 LEU 6 1HD1 LEU 6 -4.800 -7.091 -5.863 31 2HD1 LEU 6 2HD1 LEU 6 -6.546 -6.987 -5.643 32 3HD1 LEU 6 3HD1 LEU 6 -5.697 -8.485 -5.263 33 1HD2 LEU 6 1HD2 LEU 6 -3.355 -7.258 -3.387 34 2HD2 LEU 6 2HD2 LEU 6 -3.967 -5.691 -2.860 35 3HD2 LEU 6 3HD2 LEU 6 -3.653 -5.984 -4.571 36 H LEU 7 H LEU 7 -4.986 -7.145 -0.983 37 HA LEU 7 HA LEU 7 -6.954 -9.180 -0.296 38 1HB LEU 7 2HB LEU 7 -3.940 -9.205 -0.082 39 2HB LEU 7 1HB LEU 7 -4.991 -10.571 0.236 40 HG LEU 7 HG LEU 7 -4.660 -9.210 -2.440 41 1HD1 LEU 7 1HD1 LEU 7 -2.703 -10.372 -2.266 42 2HD1 LEU 7 2HD1 LEU 7 -3.754 -11.643 -2.890 43 3HD1 LEU 7 3HD1 LEU 7 -3.382 -11.573 -1.168 44 1HD2 LEU 7 1HD2 LEU 7 -6.005 -11.009 -3.325 45 2HD2 LEU 7 2HD2 LEU 7 -6.903 -10.175 -2.059 46 3HD2 LEU 7 3HD2 LEU 7 -6.149 -11.733 -1.723 47 H GLY 8 H GLY 8 -6.511 -6.514 1.129 48 1HA GLY 8 2HA GLY 8 -7.175 -6.090 3.363 49 2HA GLY 8 1HA GLY 8 -6.510 -7.651 3.827 50 H THR 9 H THR 9 -4.028 -7.502 2.652 51 HA THR 9 HA THR 9 -2.717 -5.074 3.509 52 HB THR 9 HB THR 9 -2.013 -7.690 4.879 53 HG1 THR 9 1HG THR 9 -3.838 -5.766 5.494 54 1HG2 THR 9 1HG2 THR 9 -1.033 -5.106 5.915 55 2HG2 THR 9 2HG2 THR 9 -0.329 -5.633 4.386 56 3HG2 THR 9 3HG2 THR 9 -0.219 -6.668 5.811 57 H CYS 10 H CYS 10 -0.715 -4.809 2.525 58 HA CYS 10 HA CYS 10 -0.146 -6.522 0.292 59 1HB CYS 10 2HB CYS 10 1.189 -4.060 1.397 60 2HB CYS 10 1HB CYS 10 1.815 -4.909 0.004 61 H TYR 11 H TYR 11 1.476 -7.959 0.038 62 HA TYR 11 HA TYR 11 2.766 -8.892 2.460 63 1HB TYR 11 2HB TYR 11 2.652 -10.003 -0.346 64 2HB TYR 11 1HB TYR 11 3.591 -10.743 0.942 65 HD1 TYR 11 1HD TYR 11 2.613 -12.563 1.934 66 HD2 TYR 11 2HD TYR 11 0.094 -9.448 0.500 67 HE1 TYR 11 1HE TYR 11 0.638 -13.838 2.652 68 HE2 TYR 11 2HE TYR 11 -1.888 -10.715 1.219 69 HH TYR 11 HH TYR 11 -2.488 -12.469 2.783 70 H THR 12 H THR 12 3.512 -6.753 -0.019 71 HA THR 12 HA THR 12 6.282 -7.333 -0.308 72 HB THR 12 HB THR 12 5.096 -4.636 -0.806 73 HG1 THR 12 1HG THR 12 3.993 -5.408 -2.504 74 1HG2 THR 12 1HG2 THR 12 6.711 -5.440 -2.922 75 2HG2 THR 12 2HG2 THR 12 7.540 -6.029 -1.480 76 3HG2 THR 12 3HG2 THR 12 7.146 -4.316 -1.633 77 H THR 13 H THR 13 8.004 -6.437 0.613 78 HA THR 13 HA THR 13 7.736 -5.465 3.290 79 HB THR 13 HB THR 13 10.280 -5.370 3.145 80 HG1 THR 13 1HG THR 13 10.194 -5.250 0.755 81 1HG2 THR 13 1HG2 THR 13 9.176 -7.267 4.151 82 2HG2 THR 13 2HG2 THR 13 10.492 -7.851 3.131 83 3HG2 THR 13 3HG2 THR 13 8.825 -7.952 2.564 84 H GLY 14 H GLY 14 8.036 -3.445 4.062 85 1HA GLY 14 2HA GLY 14 8.825 -1.238 4.057 86 2HA GLY 14 1HA GLY 14 9.171 -1.380 2.342 87 H CYS 15 H CYS 15 6.234 -2.624 2.539 88 HA CYS 15 HA CYS 15 4.958 -0.036 2.018 89 1HB CYS 15 2HB CYS 15 4.099 -2.811 1.171 90 2HB CYS 15 1HB CYS 15 3.283 -1.311 0.745 91 H THR 16 H THR 16 3.374 0.681 3.284 92 HA THR 16 HA THR 16 2.305 -1.140 5.340 93 HB THR 16 HB THR 16 1.934 0.918 6.720 94 HG1 THR 16 1HG THR 16 3.516 2.126 4.669 95 1HG2 THR 16 1HG2 THR 16 3.820 0.243 7.693 96 2HG2 THR 16 2HG2 THR 16 4.731 1.258 6.574 97 3HG2 THR 16 3HG2 THR 16 4.404 -0.427 6.170 98 H CYS 17 H CYS 17 0.054 -0.841 5.901 99 HA CYS 17 HA CYS 17 -1.470 -0.003 3.592 100 1HB CYS 17 2HB CYS 17 -2.123 -1.567 6.059 101 2HB CYS 17 1HB CYS 17 -3.419 -0.888 5.075 102 H ASN 18 H ASN 18 -2.185 1.885 3.344 103 HA ASN 18 HA ASN 18 -2.522 3.747 5.555 104 1HB ASN 18 2HB ASN 18 -1.417 4.828 3.819 105 2HB ASN 18 1HB ASN 18 -2.294 3.949 2.575 106 1HD2 ASN 18 1HD2 ASN 18 -3.673 5.080 1.479 107 2HD2 ASN 18 2HD2 ASN 18 -4.452 6.531 1.990 108 H LYS 19 H LYS 19 -4.486 4.808 5.926 109 HA LYS 19 HA LYS 19 -6.736 3.428 6.285 110 1HB LYS 19 2HB LYS 19 -7.980 5.542 6.343 111 2HB LYS 19 1HB LYS 19 -6.424 5.673 7.148 112 1HG LYS 19 2HG LYS 19 -5.493 6.842 5.259 113 2HG LYS 19 1HG LYS 19 -6.977 6.604 4.338 114 1HD LYS 19 2HD LYS 19 -6.958 8.846 5.187 115 2HD LYS 19 1HD LYS 19 -8.187 7.927 6.056 116 1HE LYS 19 2HE LYS 19 -6.658 7.630 7.932 117 2HE LYS 19 1HE LYS 19 -5.399 8.503 7.058 118 1HZ LYS 19 1HZ LYS 19 -8.015 9.746 7.650 119 2HZ LYS 19 2HZ LYS 19 -6.555 10.502 7.250 120 3HZ LYS 19 3HZ LYS 19 -6.745 9.785 8.770 121 H TYR 20 H TYR 20 -5.991 5.078 3.238 122 HA TYR 20 HA TYR 20 -8.543 4.391 2.086 123 1HB TYR 20 2HB TYR 20 -7.050 6.424 1.517 124 2HB TYR 20 1HB TYR 20 -6.140 5.295 0.521 125 HD1 TYR 20 1HD TYR 20 -6.601 5.734 -1.705 126 HD2 TYR 20 2HD TYR 20 -9.804 5.744 1.095 127 HE1 TYR 20 1HE TYR 20 -8.198 6.081 -3.540 128 HE2 TYR 20 2HE TYR 20 -11.409 6.087 -0.731 129 HH TYR 20 HH TYR 20 -10.874 5.489 -3.789 130 H ARG 21 H ARG 21 -6.666 2.324 3.086 131 HA ARG 21 HA ARG 21 -5.920 0.263 2.634 132 1HB ARG 21 2HB ARG 21 -8.366 0.097 1.919 133 2HB ARG 21 1HB ARG 21 -7.800 0.280 0.265 134 1HG ARG 21 2HG ARG 21 -6.510 -1.752 0.441 135 2HG ARG 21 1HG ARG 21 -6.964 -1.920 2.137 136 1HD ARG 21 2HD ARG 21 -8.874 -1.942 -0.198 137 2HD ARG 21 1HD ARG 21 -8.294 -3.370 0.660 138 HE ARG 21 HE ARG 21 -9.478 -1.525 2.459 139 1HH1 ARG 21 1HH1 ARG 21 -10.262 -3.914 0.031 140 2HH1 ARG 21 2HH1 ARG 21 -11.829 -4.259 0.679 141 1HH2 ARG 21 1HH2 ARG 21 -11.551 -1.969 3.332 142 2HH2 ARG 21 2HH2 ARG 21 -12.566 -3.145 2.568 143 H VAL 22 H VAL 22 -4.391 2.304 1.728 144 HA VAL 22 HA VAL 22 -3.323 1.185 -0.804 145 HB VAL 22 HB VAL 22 -3.041 4.033 0.182 146 1HG1 VAL 22 1HG1 VAL 22 -1.526 2.523 -1.736 147 2HG1 VAL 22 2HG1 VAL 22 -1.283 4.174 -1.166 148 3HG1 VAL 22 3HG1 VAL 22 -2.361 3.860 -2.525 149 1HG2 VAL 22 1HG2 VAL 22 -4.639 2.900 -2.112 150 2HG2 VAL 22 2HG2 VAL 22 -4.436 4.615 -1.749 151 3HG2 VAL 22 3HG2 VAL 22 -5.291 3.570 -0.615 152 H CYS 23 H CYS 23 -1.338 0.425 -0.829 153 HA CYS 23 HA CYS 23 0.227 0.417 1.612 154 1HB CYS 23 2HB CYS 23 0.644 -0.919 -1.037 155 2HB CYS 23 1HB CYS 23 1.584 -1.224 0.421 156 H THR 24 H THR 24 1.543 1.963 2.015 157 HA THR 24 HA THR 24 3.115 3.190 -0.152 158 HB THR 24 HB THR 24 2.996 5.335 1.154 159 HG1 THR 24 1HG THR 24 0.836 4.079 2.522 160 1HG2 THR 24 1HG2 THR 24 0.216 5.220 0.723 161 2HG2 THR 24 2HG2 THR 24 0.942 4.130 -0.461 162 3HG2 THR 24 3HG2 THR 24 1.453 5.816 -0.387 163 H LYS 25 H LYS 25 5.214 4.039 0.557 164 HA LYS 25 HA LYS 25 6.399 2.307 2.541 165 1HB LYS 25 2HB LYS 25 8.518 3.188 1.841 166 2HB LYS 25 1HB LYS 25 7.550 2.883 0.406 167 1HG LYS 25 2HG LYS 25 7.328 5.099 -0.091 168 2HG LYS 25 1HG LYS 25 7.488 5.606 1.592 169 1HD LYS 25 2HD LYS 25 9.702 4.612 -0.202 170 2HD LYS 25 1HD LYS 25 9.448 6.276 0.325 171 1HE LYS 25 2HE LYS 25 10.160 3.906 2.051 172 2HE LYS 25 1HE LYS 25 11.190 5.281 1.660 173 1HZ LYS 25 1HZ LYS 25 9.057 5.061 3.615 174 2HZ LYS 25 2HZ LYS 25 9.075 6.514 2.739 175 3HZ LYS 25 3HZ LYS 25 10.441 6.037 3.624 176 H ASP 26 H ASP 26 4.702 5.042 2.849 177 HA ASP 26 HA ASP 26 5.331 5.558 5.509 178 1HB ASP 26 2HB ASP 26 6.326 7.874 5.266 179 2HB ASP 26 1HB ASP 26 7.417 6.553 4.882 180 H GLY 27 H GLY 27 4.253 6.811 2.475 181 1HA GLY 27 2HA GLY 27 1.611 7.215 3.016 182 2HA GLY 27 1HA GLY 27 2.398 8.722 3.496 183 H SER 28 H SER 28 4.529 8.474 1.652 184 HA SER 28 HA SER 28 3.373 9.728 -0.632 185 1HB SER 28 2HB SER 28 6.198 8.694 -0.367 186 2HB SER 28 1HB SER 28 5.625 10.044 -1.346 187 HG SER 28 HG SER 28 5.922 9.881 1.465 188 H VAL 29 H VAL 29 3.092 8.928 -2.679 189 HA VAL 29 HA VAL 29 2.693 6.132 -2.976 190 HB VAL 29 HB VAL 29 2.757 8.183 -5.191 191 1HG1 VAL 29 1HG1 VAL 29 1.286 6.704 -6.370 192 2HG1 VAL 29 2HG1 VAL 29 1.167 5.631 -4.975 193 3HG1 VAL 29 3HG1 VAL 29 2.694 5.780 -5.844 194 1HG2 VAL 29 1HG2 VAL 29 0.134 7.490 -4.130 195 2HG2 VAL 29 2HG2 VAL 29 0.815 9.066 -4.529 196 3HG2 VAL 29 3HG2 VAL 29 1.155 8.331 -2.962 197 H LEU 30 H LEU 30 5.394 8.121 -3.371 198 HA LEU 30 HA LEU 30 6.744 6.768 -5.442 199 1HB LEU 30 2HB LEU 30 8.801 7.834 -4.493 200 2HB LEU 30 1HB LEU 30 7.506 8.938 -4.899 201 HG LEU 30 HG LEU 30 6.916 8.711 -2.343 202 1HD1 LEU 30 1HD1 LEU 30 9.866 8.424 -2.066 203 2HD1 LEU 30 2HD1 LEU 30 8.875 6.971 -2.205 204 3HD1 LEU 30 3HD1 LEU 30 8.586 8.115 -0.894 205 1HD2 LEU 30 1HD2 LEU 30 7.485 10.845 -2.468 206 2HD2 LEU 30 2HD2 LEU 30 8.419 10.517 -3.927 207 3HD2 LEU 30 3HD2 LEU 30 9.188 10.407 -2.344 208 H ASN 31 H ASN 31 8.330 5.215 -5.405 209 HA ASN 31 HA ASN 31 9.515 3.394 -4.753 210 1HB ASN 31 2HB ASN 31 10.186 4.672 -2.736 211 2HB ASN 31 1HB ASN 31 8.748 4.078 -1.909 212 1HD2 ASN 31 1HD2 ASN 31 8.976 2.294 -0.751 213 2HD2 ASN 31 2HD2 ASN 31 10.247 1.137 -0.915 Start of MODEL 6 1 H CYS 1 H CYS 1 5.936 3.013 -3.867 2 HA CYS 1 HA CYS 1 5.369 0.169 -4.343 3 1HB CYS 1 2HB CYS 1 6.490 0.793 -2.181 4 2HB CYS 1 1HB CYS 1 5.034 1.685 -1.746 5 H GLY 2 H GLY 2 3.833 1.354 -5.974 6 1HA GLY 2 2HA GLY 2 1.414 2.443 -4.874 7 2HA GLY 2 1HA GLY 2 1.696 2.022 -6.556 8 H GLU 3 H GLU 3 1.927 -0.024 -3.704 9 HA GLU 3 HA GLU 3 0.151 -1.966 -4.928 10 1HB GLU 3 2HB GLU 3 2.190 -2.842 -4.020 11 2HB GLU 3 1HB GLU 3 1.923 -2.028 -2.489 12 1HG GLU 3 2HG GLU 3 1.502 -4.369 -2.244 13 2HG GLU 3 1HG GLU 3 0.002 -3.482 -2.059 14 H THR 4 H THR 4 -1.596 -2.898 -3.747 15 HA THR 4 HA THR 4 -2.768 -1.074 -1.750 16 HB THR 4 HB THR 4 -5.017 -1.785 -2.669 17 HG1 THR 4 1HG THR 4 -3.309 -2.733 -4.741 18 1HG2 THR 4 1HG2 THR 4 -4.893 0.302 -3.444 19 2HG2 THR 4 2HG2 THR 4 -4.241 -0.354 -4.945 20 3HG2 THR 4 3HG2 THR 4 -3.148 0.171 -3.665 21 H CYS 5 H CYS 5 -4.090 -2.024 -0.157 22 HA CYS 5 HA CYS 5 -3.296 -4.767 0.428 23 1HB CYS 5 2HB CYS 5 -5.145 -3.288 2.231 24 2HB CYS 5 1HB CYS 5 -3.807 -4.350 2.625 25 H LEU 6 H LEU 6 -4.730 -4.978 -1.698 26 HA LEU 6 HA LEU 6 -7.508 -5.023 -1.552 27 1HB LEU 6 2HB LEU 6 -5.666 -6.832 -3.112 28 2HB LEU 6 1HB LEU 6 -7.394 -6.718 -3.371 29 HG LEU 6 HG LEU 6 -5.414 -4.472 -3.761 30 1HD1 LEU 6 1HD1 LEU 6 -5.491 -6.488 -5.392 31 2HD1 LEU 6 2HD1 LEU 6 -5.519 -4.847 -6.038 32 3HD1 LEU 6 3HD1 LEU 6 -7.015 -5.775 -5.923 33 1HD2 LEU 6 1HD2 LEU 6 -7.905 -4.015 -5.034 34 2HD2 LEU 6 2HD2 LEU 6 -7.149 -3.091 -3.736 35 3HD2 LEU 6 3HD2 LEU 6 -8.227 -4.433 -3.350 36 H LEU 7 H LEU 7 -5.167 -7.498 -0.656 37 HA LEU 7 HA LEU 7 -7.315 -9.233 0.282 38 1HB LEU 7 2HB LEU 7 -4.339 -9.672 0.061 39 2HB LEU 7 1HB LEU 7 -5.446 -10.844 0.747 40 HG LEU 7 HG LEU 7 -6.657 -10.697 -1.547 41 1HD1 LEU 7 1HD1 LEU 7 -5.622 -9.778 -3.331 42 2HD1 LEU 7 2HD1 LEU 7 -4.007 -10.116 -2.710 43 3HD1 LEU 7 3HD1 LEU 7 -4.918 -8.739 -2.092 44 1HD2 LEU 7 1HD2 LEU 7 -5.419 -12.541 -2.331 45 2HD2 LEU 7 2HD2 LEU 7 -5.307 -12.601 -0.573 46 3HD2 LEU 7 3HD2 LEU 7 -3.949 -11.997 -1.522 47 H GLY 8 H GLY 8 -6.500 -6.648 1.632 48 1HA GLY 8 2HA GLY 8 -6.901 -6.259 3.956 49 2HA GLY 8 1HA GLY 8 -6.208 -7.837 4.307 50 H THR 9 H THR 9 -3.900 -7.615 2.718 51 HA THR 9 HA THR 9 -2.492 -5.249 3.611 52 HB THR 9 HB THR 9 -1.517 -7.995 4.460 53 HG1 THR 9 1HG THR 9 -3.239 -6.230 5.648 54 1HG2 THR 9 1HG2 THR 9 0.102 -6.674 5.811 55 2HG2 THR 9 2HG2 THR 9 -0.479 -5.211 5.017 56 3HG2 THR 9 3HG2 THR 9 0.319 -6.469 4.073 57 H CYS 10 H CYS 10 -0.708 -4.806 2.392 58 HA CYS 10 HA CYS 10 -0.565 -5.892 -0.216 59 1HB CYS 10 2HB CYS 10 1.592 -4.248 1.060 60 2HB CYS 10 1HB CYS 10 1.027 -4.213 -0.605 61 H TYR 11 H TYR 11 1.065 -7.066 -1.213 62 HA TYR 11 HA TYR 11 2.378 -8.990 0.473 63 1HB TYR 11 2HB TYR 11 2.228 -8.584 -2.505 64 2HB TYR 11 1HB TYR 11 3.323 -9.767 -1.801 65 HD1 TYR 11 1HD TYR 11 2.524 -11.901 -2.069 66 HD2 TYR 11 2HD TYR 11 -0.240 -8.808 -1.126 67 HE1 TYR 11 1HE TYR 11 0.710 -13.555 -1.986 68 HE2 TYR 11 2HE TYR 11 -2.063 -10.457 -1.039 69 HH TYR 11 HH TYR 11 -2.284 -12.934 -0.632 70 H THR 12 H THR 12 3.196 -5.979 -0.943 71 HA THR 12 HA THR 12 6.006 -6.367 -1.157 72 HB THR 12 HB THR 12 4.917 -3.657 -0.640 73 HG1 THR 12 1HG THR 12 3.975 -3.588 -2.694 74 1HG2 THR 12 1HG2 THR 12 7.318 -4.516 -1.449 75 2HG2 THR 12 2HG2 THR 12 6.647 -2.962 -1.949 76 3HG2 THR 12 3HG2 THR 12 6.534 -4.357 -3.022 77 H THR 13 H THR 13 7.601 -5.957 0.245 78 HA THR 13 HA THR 13 6.911 -5.740 3.054 79 HB THR 13 HB THR 13 9.402 -6.142 3.353 80 HG1 THR 13 1HG THR 13 9.864 -5.438 1.119 81 1HG2 THR 13 1HG2 THR 13 7.909 -7.984 3.634 82 2HG2 THR 13 2HG2 THR 13 9.236 -8.547 2.618 83 3HG2 THR 13 3HG2 THR 13 7.680 -8.143 1.893 84 H GLY 14 H GLY 14 7.513 -4.092 4.407 85 1HA GLY 14 2HA GLY 14 8.639 -2.137 5.040 86 2HA GLY 14 1HA GLY 14 9.177 -1.920 3.384 87 H CYS 15 H CYS 15 6.243 -2.513 2.716 88 HA CYS 15 HA CYS 15 5.425 0.272 2.764 89 1HB CYS 15 2HB CYS 15 4.110 -2.103 1.420 90 2HB CYS 15 1HB CYS 15 3.736 -0.402 1.144 91 H THR 16 H THR 16 3.570 1.037 3.758 92 HA THR 16 HA THR 16 2.340 -0.804 5.699 93 HB THR 16 HB THR 16 1.747 1.356 6.924 94 HG1 THR 16 1HG THR 16 3.893 2.446 5.407 95 1HG2 THR 16 1HG2 THR 16 4.565 0.349 6.629 96 2HG2 THR 16 2HG2 THR 16 3.405 0.019 7.916 97 3HG2 THR 16 3HG2 THR 16 4.149 1.613 7.787 98 H CYS 17 H CYS 17 0.063 -0.667 6.021 99 HA CYS 17 HA CYS 17 -1.332 0.155 3.622 100 1HB CYS 17 2HB CYS 17 -2.121 -1.408 6.068 101 2HB CYS 17 1HB CYS 17 -3.343 -0.812 4.948 102 H ASN 18 H ASN 18 -2.127 2.077 3.365 103 HA ASN 18 HA ASN 18 -2.730 3.725 5.708 104 1HB ASN 18 2HB ASN 18 -2.133 5.537 4.488 105 2HB ASN 18 1HB ASN 18 -1.382 4.373 3.408 106 1HD2 ASN 18 1HD2 ASN 18 -2.024 4.304 1.371 107 2HD2 ASN 18 2HD2 ASN 18 -3.386 5.151 0.721 108 H LYS 19 H LYS 19 -4.726 4.807 5.841 109 HA LYS 19 HA LYS 19 -6.963 3.380 5.832 110 1HB LYS 19 2HB LYS 19 -8.236 5.572 5.714 111 2HB LYS 19 1HB LYS 19 -7.005 5.421 6.955 112 1HG LYS 19 2HG LYS 19 -6.622 7.542 6.167 113 2HG LYS 19 1HG LYS 19 -5.476 6.601 5.212 114 1HD LYS 19 2HD LYS 19 -7.094 6.548 3.359 115 2HD LYS 19 1HD LYS 19 -8.206 7.528 4.316 116 1HE LYS 19 2HE LYS 19 -6.558 9.332 4.387 117 2HE LYS 19 1HE LYS 19 -5.437 8.350 3.444 118 1HZ LYS 19 1HZ LYS 19 -8.089 8.788 2.312 119 2HZ LYS 19 2HZ LYS 19 -6.586 8.698 1.543 120 3HZ LYS 19 3HZ LYS 19 -7.041 10.118 2.339 121 H TYR 20 H TYR 20 -5.772 4.946 2.925 122 HA TYR 20 HA TYR 20 -8.245 4.489 1.486 123 1HB TYR 20 2HB TYR 20 -6.607 6.372 1.003 124 2HB TYR 20 1HB TYR 20 -5.544 5.157 0.307 125 HD1 TYR 20 1HD TYR 20 -5.493 5.610 -1.974 126 HD2 TYR 20 2HD TYR 20 -9.245 5.539 0.031 127 HE1 TYR 20 1HE TYR 20 -6.644 5.843 -4.133 128 HE2 TYR 20 2HE TYR 20 -10.407 5.770 -2.125 129 HH TYR 20 HH TYR 20 -9.331 5.086 -4.877 130 H ARG 21 H ARG 21 -6.457 2.382 2.768 131 HA ARG 21 HA ARG 21 -5.817 0.256 2.495 132 1HB ARG 21 2HB ARG 21 -8.245 0.147 1.706 133 2HB ARG 21 1HB ARG 21 -7.616 0.184 0.065 134 1HG ARG 21 2HG ARG 21 -6.385 -1.880 0.484 135 2HG ARG 21 1HG ARG 21 -7.004 -1.914 2.136 136 1HD ARG 21 2HD ARG 21 -8.656 -2.053 -0.385 137 2HD ARG 21 1HD ARG 21 -8.273 -3.407 0.677 138 HE ARG 21 HE ARG 21 -9.530 -1.338 2.140 139 1HH1 ARG 21 1HH1 ARG 21 -10.207 -3.863 -0.179 140 2HH1 ARG 21 2HH1 ARG 21 -11.867 -4.031 0.283 141 1HH2 ARG 21 1HH2 ARG 21 -11.725 -1.547 2.766 142 2HH2 ARG 21 2HH2 ARG 21 -12.735 -2.705 1.967 143 H VAL 22 H VAL 22 -4.207 2.194 1.484 144 HA VAL 22 HA VAL 22 -2.958 0.740 -0.780 145 HB VAL 22 HB VAL 22 -3.034 3.752 -0.455 146 1HG1 VAL 22 1HG1 VAL 22 -2.078 3.161 -2.984 147 2HG1 VAL 22 2HG1 VAL 22 -1.238 2.021 -1.931 148 3HG1 VAL 22 3HG1 VAL 22 -1.135 3.753 -1.617 149 1HG2 VAL 22 1HG2 VAL 22 -5.135 2.945 -1.294 150 2HG2 VAL 22 2HG2 VAL 22 -4.318 1.932 -2.483 151 3HG2 VAL 22 3HG2 VAL 22 -4.243 3.688 -2.622 152 H CYS 23 H CYS 23 -0.784 0.398 -0.644 153 HA CYS 23 HA CYS 23 0.395 0.880 1.935 154 1HB CYS 23 2HB CYS 23 1.041 -0.812 -0.366 155 2HB CYS 23 1HB CYS 23 2.386 -0.296 0.648 156 H THR 24 H THR 24 1.832 2.208 2.511 157 HA THR 24 HA THR 24 3.109 3.944 0.505 158 HB THR 24 HB THR 24 3.290 5.548 2.551 159 HG1 THR 24 1HG THR 24 2.502 4.096 4.124 160 1HG2 THR 24 1HG2 THR 24 0.487 5.653 1.957 161 2HG2 THR 24 2HG2 THR 24 1.383 5.231 0.497 162 3HG2 THR 24 3HG2 THR 24 1.783 6.702 1.382 163 H LYS 25 H LYS 25 5.269 3.797 0.441 164 HA LYS 25 HA LYS 25 6.653 2.098 2.300 165 1HB LYS 25 2HB LYS 25 8.665 2.680 0.934 166 2HB LYS 25 1HB LYS 25 7.336 2.007 0.001 167 1HG LYS 25 2HG LYS 25 6.707 4.300 -0.681 168 2HG LYS 25 1HG LYS 25 8.125 4.908 0.176 169 1HD LYS 25 2HD LYS 25 8.208 2.895 -2.068 170 2HD LYS 25 1HD LYS 25 8.483 4.625 -2.265 171 1HE LYS 25 2HE LYS 25 10.099 2.874 -0.422 172 2HE LYS 25 1HE LYS 25 10.557 3.220 -2.090 173 1HZ LYS 25 1HZ LYS 25 11.618 4.673 -0.398 174 2HZ LYS 25 2HZ LYS 25 10.097 5.323 -0.035 175 3HZ LYS 25 3HZ LYS 25 10.760 5.520 -1.581 176 H ASP 26 H ASP 26 6.129 5.451 1.846 177 HA ASP 26 HA ASP 26 7.046 6.160 4.416 178 1HB ASP 26 2HB ASP 26 8.853 7.746 3.693 179 2HB ASP 26 1HB ASP 26 9.277 6.055 3.474 180 H GLY 27 H GLY 27 7.653 8.954 3.170 181 1HA GLY 27 2HA GLY 27 4.982 9.928 3.352 182 2HA GLY 27 1HA GLY 27 6.391 10.853 2.840 183 H SER 28 H SER 28 7.064 8.902 0.773 184 HA SER 28 HA SER 28 5.346 9.955 -1.311 185 1HB SER 28 2HB SER 28 7.619 8.023 -1.715 186 2HB SER 28 1HB SER 28 7.021 9.268 -2.813 187 HG SER 28 HG SER 28 8.509 9.600 -0.424 188 H VAL 29 H VAL 29 3.682 8.890 -2.156 189 HA VAL 29 HA VAL 29 3.090 6.187 -1.345 190 HB VAL 29 HB VAL 29 1.585 7.857 -3.366 191 1HG1 VAL 29 1HG1 VAL 29 0.182 5.978 -1.585 192 2HG1 VAL 29 2HG1 VAL 29 1.243 5.246 -2.788 193 3HG1 VAL 29 3HG1 VAL 29 -0.061 6.318 -3.299 194 1HG2 VAL 29 1HG2 VAL 29 0.351 8.882 -1.693 195 2HG2 VAL 29 2HG2 VAL 29 1.985 8.899 -1.030 196 3HG2 VAL 29 3HG2 VAL 29 0.822 7.695 -0.478 197 H LEU 30 H LEU 30 4.677 7.743 -3.864 198 HA LEU 30 HA LEU 30 4.268 5.980 -6.021 199 1HB LEU 30 2HB LEU 30 6.642 7.744 -5.415 200 2HB LEU 30 1HB LEU 30 6.305 6.993 -6.964 201 HG LEU 30 HG LEU 30 4.566 9.068 -5.623 202 1HD1 LEU 30 1HD1 LEU 30 6.833 9.799 -6.517 203 2HD1 LEU 30 2HD1 LEU 30 5.415 10.643 -7.140 204 3HD1 LEU 30 3HD1 LEU 30 6.204 9.404 -8.117 205 1HD2 LEU 30 1HD2 LEU 30 3.309 7.489 -7.024 206 2HD2 LEU 30 2HD2 LEU 30 4.386 7.845 -8.376 207 3HD2 LEU 30 3HD2 LEU 30 3.342 9.109 -7.720 208 H ASN 31 H ASN 31 6.086 4.712 -7.014 209 HA ASN 31 HA ASN 31 7.620 3.038 -7.031 210 1HB ASN 31 2HB ASN 31 8.978 4.434 -5.492 211 2HB ASN 31 1HB ASN 31 8.138 3.716 -4.125 212 1HD2 ASN 31 1HD2 ASN 31 8.608 1.430 -6.566 213 2HD2 ASN 31 2HD2 ASN 31 10.033 0.691 -5.927 Start of MODEL 7 1 H CYS 1 H CYS 1 3.044 2.784 -2.822 2 HA CYS 1 HA CYS 1 5.795 1.971 -3.408 3 1HB CYS 1 2HB CYS 1 3.438 0.362 -2.399 4 2HB CYS 1 1HB CYS 1 5.044 -0.291 -2.699 5 H GLY 2 H GLY 2 2.788 0.263 -4.182 6 1HA GLY 2 2HA GLY 2 2.486 0.792 -6.845 7 2HA GLY 2 1HA GLY 2 3.773 -0.405 -6.797 8 H GLU 3 H GLU 3 1.045 -0.193 -4.596 9 HA GLU 3 HA GLU 3 -0.509 -2.230 -5.854 10 1HB GLU 3 2HB GLU 3 -0.157 -4.029 -4.327 11 2HB GLU 3 1HB GLU 3 1.431 -3.538 -4.897 12 1HG GLU 3 2HG GLU 3 0.201 -2.734 -2.268 13 2HG GLU 3 1HG GLU 3 1.390 -4.014 -2.492 14 H THR 4 H THR 4 -1.884 -3.210 -3.864 15 HA THR 4 HA THR 4 -2.723 -1.095 -2.048 16 HB THR 4 HB THR 4 -5.157 -1.625 -2.679 17 HG1 THR 4 1HG THR 4 -4.051 -2.281 -5.205 18 1HG2 THR 4 1HG2 THR 4 -3.469 0.375 -3.490 19 2HG2 THR 4 2HG2 THR 4 -5.210 0.336 -3.772 20 3HG2 THR 4 3HG2 THR 4 -4.101 -0.225 -5.023 21 H CYS 5 H CYS 5 -4.051 -1.925 -0.297 22 HA CYS 5 HA CYS 5 -3.429 -4.720 0.237 23 1HB CYS 5 2HB CYS 5 -5.033 -3.116 2.169 24 2HB CYS 5 1HB CYS 5 -3.751 -4.273 2.469 25 H LEU 6 H LEU 6 -5.007 -4.793 -1.793 26 HA LEU 6 HA LEU 6 -7.768 -4.602 -1.384 27 1HB LEU 6 2HB LEU 6 -8.065 -5.844 -3.396 28 2HB LEU 6 1HB LEU 6 -6.677 -4.802 -3.610 29 HG LEU 6 HG LEU 6 -6.388 -7.713 -2.884 30 1HD1 LEU 6 1HD1 LEU 6 -7.067 -6.466 -5.466 31 2HD1 LEU 6 2HD1 LEU 6 -7.340 -8.111 -4.889 32 3HD1 LEU 6 3HD1 LEU 6 -5.753 -7.642 -5.499 33 1HD2 LEU 6 1HD2 LEU 6 -4.187 -7.373 -3.049 34 2HD2 LEU 6 2HD2 LEU 6 -4.557 -5.650 -2.975 35 3HD2 LEU 6 3HD2 LEU 6 -4.360 -6.443 -4.539 36 H LEU 7 H LEU 7 -5.551 -7.270 -0.875 37 HA LEU 7 HA LEU 7 -7.598 -9.130 -0.087 38 1HB LEU 7 2HB LEU 7 -5.298 -9.663 -1.088 39 2HB LEU 7 1HB LEU 7 -4.652 -9.329 0.500 40 HG LEU 7 HG LEU 7 -6.059 -11.135 1.438 41 1HD1 LEU 7 1HD1 LEU 7 -6.585 -12.223 -1.264 42 2HD1 LEU 7 2HD1 LEU 7 -7.615 -10.900 -0.713 43 3HD1 LEU 7 3HD1 LEU 7 -7.509 -12.389 0.229 44 1HD2 LEU 7 1HD2 LEU 7 -4.535 -12.757 0.946 45 2HD2 LEU 7 2HD2 LEU 7 -3.670 -11.353 0.322 46 3HD2 LEU 7 3HD2 LEU 7 -4.553 -12.408 -0.783 47 H GLY 8 H GLY 8 -5.890 -6.590 1.364 48 1HA GLY 8 2HA GLY 8 -6.976 -6.030 3.603 49 2HA GLY 8 1HA GLY 8 -6.391 -7.626 4.071 50 H THR 9 H THR 9 -3.973 -7.496 2.548 51 HA THR 9 HA THR 9 -2.505 -5.209 3.552 52 HB THR 9 HB THR 9 -1.676 -7.996 4.417 53 HG1 THR 9 1HG THR 9 -3.412 -6.186 5.542 54 1HG2 THR 9 1HG2 THR 9 -0.374 -6.292 6.053 55 2HG2 THR 9 2HG2 THR 9 -0.458 -5.309 4.590 56 3HG2 THR 9 3HG2 THR 9 0.305 -6.898 4.542 57 H CYS 10 H CYS 10 -0.596 -4.858 2.445 58 HA CYS 10 HA CYS 10 -0.359 -6.082 -0.135 59 1HB CYS 10 2HB CYS 10 1.735 -4.301 1.052 60 2HB CYS 10 1HB CYS 10 1.148 -4.358 -0.603 61 H TYR 11 H TYR 11 1.383 -7.291 -0.935 62 HA TYR 11 HA TYR 11 2.666 -8.988 1.017 63 1HB TYR 11 2HB TYR 11 2.619 -8.957 -1.998 64 2HB TYR 11 1HB TYR 11 3.685 -10.031 -1.103 65 HD1 TYR 11 1HD TYR 11 0.089 -9.036 -0.705 66 HD2 TYR 11 2HD TYR 11 2.909 -12.191 -1.153 67 HE1 TYR 11 1HE TYR 11 -1.727 -10.680 -0.503 68 HE2 TYR 11 2HE TYR 11 1.101 -13.843 -0.955 69 HH TYR 11 HH TYR 11 -1.916 -13.132 0.215 70 H THR 12 H THR 12 3.401 -6.137 -0.682 71 HA THR 12 HA THR 12 6.196 -6.365 -0.942 72 HB THR 12 HB THR 12 4.956 -3.715 -0.438 73 HG1 THR 12 1HG THR 12 3.959 -3.773 -2.504 74 1HG2 THR 12 1HG2 THR 12 7.348 -4.100 -1.181 75 2HG2 THR 12 2HG2 THR 12 6.404 -2.996 -2.179 76 3HG2 THR 12 3HG2 THR 12 6.686 -4.650 -2.719 77 H THR 13 H THR 13 7.841 -5.747 0.363 78 HA THR 13 HA THR 13 7.251 -5.535 3.198 79 HB THR 13 HB THR 13 9.855 -5.687 3.285 80 HG1 THR 13 1HG THR 13 10.522 -6.951 1.334 81 1HG2 THR 13 1HG2 THR 13 8.177 -7.463 3.902 82 2HG2 THR 13 2HG2 THR 13 9.733 -8.069 3.331 83 3HG2 THR 13 3HG2 THR 13 8.335 -8.079 2.256 84 H GLY 14 H GLY 14 7.836 -3.833 4.495 85 1HA GLY 14 2HA GLY 14 8.814 -1.784 5.039 86 2HA GLY 14 1HA GLY 14 9.297 -1.578 3.366 87 H CYS 15 H CYS 15 6.421 -2.367 2.739 88 HA CYS 15 HA CYS 15 5.407 0.349 2.769 89 1HB CYS 15 2HB CYS 15 4.413 -2.157 1.401 90 2HB CYS 15 1HB CYS 15 3.665 -0.570 1.239 91 H THR 16 H THR 16 3.593 1.028 3.814 92 HA THR 16 HA THR 16 2.380 -0.884 5.700 93 HB THR 16 HB THR 16 1.769 1.230 6.996 94 HG1 THR 16 1HG THR 16 3.943 2.394 5.587 95 1HG2 THR 16 1HG2 THR 16 3.422 0.507 8.305 96 2HG2 THR 16 2HG2 THR 16 4.590 1.365 7.301 97 3HG2 THR 16 3HG2 THR 16 4.168 -0.306 6.930 98 H CYS 17 H CYS 17 0.087 -0.764 5.996 99 HA CYS 17 HA CYS 17 -1.257 0.167 3.609 100 1HB CYS 17 2HB CYS 17 -2.124 -1.500 5.958 101 2HB CYS 17 1HB CYS 17 -3.294 -0.878 4.799 102 H ASN 18 H ASN 18 -2.021 2.101 3.426 103 HA ASN 18 HA ASN 18 -2.660 3.663 5.806 104 1HB ASN 18 2HB ASN 18 -2.174 5.529 4.602 105 2HB ASN 18 1HB ASN 18 -1.346 4.404 3.538 106 1HD2 ASN 18 1HD2 ASN 18 -1.939 4.315 1.486 107 2HD2 ASN 18 2HD2 ASN 18 -3.326 5.099 0.811 108 H LYS 19 H LYS 19 -4.678 4.720 5.976 109 HA LYS 19 HA LYS 19 -6.885 3.258 6.012 110 1HB LYS 19 2HB LYS 19 -8.210 5.414 5.896 111 2HB LYS 19 1HB LYS 19 -6.942 5.320 7.105 112 1HG LYS 19 2HG LYS 19 -6.627 7.431 6.270 113 2HG LYS 19 1HG LYS 19 -5.496 6.501 5.289 114 1HD LYS 19 2HD LYS 19 -7.182 6.380 3.499 115 2HD LYS 19 1HD LYS 19 -8.278 7.353 4.481 116 1HE LYS 19 2HE LYS 19 -6.673 9.194 4.456 117 2HE LYS 19 1HE LYS 19 -5.561 8.219 3.496 118 1HZ LYS 19 1HZ LYS 19 -6.754 8.538 1.628 119 2HZ LYS 19 2HZ LYS 19 -7.282 9.929 2.434 120 3HZ LYS 19 3HZ LYS 19 -8.247 8.539 2.426 121 H TYR 20 H TYR 20 -5.784 4.821 3.067 122 HA TYR 20 HA TYR 20 -8.270 4.236 1.685 123 1HB TYR 20 2HB TYR 20 -6.743 6.219 1.183 124 2HB TYR 20 1HB TYR 20 -5.653 5.062 0.427 125 HD1 TYR 20 1HD TYR 20 -5.717 5.536 -1.848 126 HD2 TYR 20 2HD TYR 20 -9.376 5.275 0.305 127 HE1 TYR 20 1HE TYR 20 -6.966 5.741 -3.957 128 HE2 TYR 20 2HE TYR 20 -10.635 5.477 -1.798 129 HH TYR 20 HH TYR 20 -9.056 5.375 -4.903 130 H ARG 21 H ARG 21 -6.505 2.200 2.949 131 HA ARG 21 HA ARG 21 -5.622 0.178 2.689 132 1HB ARG 21 2HB ARG 21 -6.899 -1.427 1.423 133 2HB ARG 21 1HB ARG 21 -7.994 -0.316 2.221 134 1HG ARG 21 2HG ARG 21 -7.863 0.892 -0.146 135 2HG ARG 21 1HG ARG 21 -7.489 -0.755 -0.660 136 1HD ARG 21 2HD ARG 21 -9.924 0.172 0.858 137 2HD ARG 21 1HD ARG 21 -9.868 -0.412 -0.803 138 HE ARG 21 HE ARG 21 -9.946 -1.988 1.592 139 1HH1 ARG 21 1HH1 ARG 21 -9.001 -1.971 -1.774 140 2HH1 ARG 21 2HH1 ARG 21 -8.995 -3.696 -1.919 141 1HH2 ARG 21 1HH2 ARG 21 -9.935 -4.269 1.418 142 2HH2 ARG 21 2HH2 ARG 21 -9.515 -5.018 -0.088 143 H VAL 22 H VAL 22 -4.152 2.081 1.614 144 HA VAL 22 HA VAL 22 -2.932 0.677 -0.704 145 HB VAL 22 HB VAL 22 -3.040 3.679 -0.328 146 1HG1 VAL 22 1HG1 VAL 22 -1.058 2.185 -1.576 147 2HG1 VAL 22 2HG1 VAL 22 -1.362 3.911 -1.771 148 3HG1 VAL 22 3HG1 VAL 22 -2.084 2.756 -2.893 149 1HG2 VAL 22 1HG2 VAL 22 -5.079 2.344 -1.235 150 2HG2 VAL 22 2HG2 VAL 22 -4.108 2.222 -2.703 151 3HG2 VAL 22 3HG2 VAL 22 -4.548 3.807 -2.067 152 H CYS 23 H CYS 23 -0.754 0.305 -0.573 153 HA CYS 23 HA CYS 23 0.457 0.777 1.978 154 1HB CYS 23 2HB CYS 23 1.119 -0.849 -0.364 155 2HB CYS 23 1HB CYS 23 2.456 -0.338 0.665 156 H THR 24 H THR 24 1.890 2.117 2.576 157 HA THR 24 HA THR 24 3.097 3.947 0.615 158 HB THR 24 HB THR 24 3.230 5.498 2.707 159 HG1 THR 24 1HG THR 24 2.465 3.901 4.200 160 1HG2 THR 24 1HG2 THR 24 1.537 6.663 1.788 161 2HG2 THR 24 2HG2 THR 24 0.399 5.325 1.944 162 3HG2 THR 24 3HG2 THR 24 1.525 5.374 0.585 163 H LYS 25 H LYS 25 5.231 3.814 0.504 164 HA LYS 25 HA LYS 25 6.712 2.301 2.495 165 1HB LYS 25 2HB LYS 25 7.193 1.760 0.212 166 2HB LYS 25 1HB LYS 25 7.418 3.448 -0.209 167 1HG LYS 25 2HG LYS 25 9.461 3.533 1.085 168 2HG LYS 25 1HG LYS 25 9.218 1.869 1.617 169 1HD LYS 25 2HD LYS 25 10.848 2.084 -0.246 170 2HD LYS 25 1HD LYS 25 9.471 1.054 -0.632 171 1HE LYS 25 2HE LYS 25 9.952 2.470 -2.520 172 2HE LYS 25 1HE LYS 25 8.419 2.962 -1.804 173 1HZ LYS 25 1HZ LYS 25 10.883 4.431 -2.053 174 2HZ LYS 25 2HZ LYS 25 10.194 4.540 -0.511 175 3HZ LYS 25 3HZ LYS 25 9.299 5.001 -1.879 176 H ASP 26 H ASP 26 6.673 5.503 1.052 177 HA ASP 26 HA ASP 26 7.467 6.808 3.428 178 1HB ASP 26 2HB ASP 26 9.626 7.758 2.516 179 2HB ASP 26 1HB ASP 26 9.692 6.054 2.925 180 H GLY 27 H GLY 27 8.736 8.995 1.663 181 1HA GLY 27 2HA GLY 27 6.220 10.238 0.984 182 2HA GLY 27 1HA GLY 27 7.807 10.985 0.910 183 H SER 28 H SER 28 6.952 7.949 -0.667 184 HA SER 28 HA SER 28 7.894 8.916 -3.183 185 1HB SER 28 2HB SER 28 6.268 6.413 -2.699 186 2HB SER 28 1HB SER 28 7.346 6.743 -4.050 187 HG SER 28 HG SER 28 8.596 6.972 -1.612 188 H VAL 29 H VAL 29 6.790 9.867 -4.768 189 HA VAL 29 HA VAL 29 4.272 10.955 -4.413 190 HB VAL 29 HB VAL 29 5.598 10.401 -7.063 191 1HG1 VAL 29 1HG1 VAL 29 4.135 12.863 -6.919 192 2HG1 VAL 29 2HG1 VAL 29 3.091 11.514 -6.471 193 3HG1 VAL 29 3HG1 VAL 29 3.929 11.504 -8.023 194 1HG2 VAL 29 1HG2 VAL 29 7.093 11.575 -5.506 195 2HG2 VAL 29 2HG2 VAL 29 5.864 12.819 -5.279 196 3HG2 VAL 29 3HG2 VAL 29 6.613 12.596 -6.861 197 H LEU 30 H LEU 30 5.180 7.949 -5.904 198 HA LEU 30 HA LEU 30 2.346 7.390 -6.423 199 1HB LEU 30 2HB LEU 30 3.028 5.741 -8.043 200 2HB LEU 30 1HB LEU 30 3.810 7.264 -8.403 201 HG LEU 30 HG LEU 30 5.231 5.081 -6.889 202 1HD1 LEU 30 1HD1 LEU 30 4.541 5.220 -9.735 203 2HD1 LEU 30 2HD1 LEU 30 5.043 3.844 -8.751 204 3HD1 LEU 30 3HD1 LEU 30 6.252 4.952 -9.401 205 1HD2 LEU 30 1HD2 LEU 30 5.999 7.582 -7.100 206 2HD2 LEU 30 2HD2 LEU 30 6.510 7.068 -8.708 207 3HD2 LEU 30 3HD2 LEU 30 7.161 6.267 -7.279 208 H ASN 31 H ASN 31 3.746 7.188 -3.875 209 HA ASN 31 HA ASN 31 3.977 5.797 -2.079 210 1HB ASN 31 2HB ASN 31 1.676 4.482 -3.532 211 2HB ASN 31 1HB ASN 31 2.207 3.978 -1.934 212 1HD2 ASN 31 1HD2 ASN 31 2.756 7.219 -2.073 213 2HD2 ASN 31 2HD2 ASN 31 1.271 7.787 -1.403 Start of MODEL 8 1 H CYS 1 H CYS 1 5.898 1.713 -3.642 2 HA CYS 1 HA CYS 1 4.960 -0.896 -4.512 3 1HB CYS 1 2HB CYS 1 4.892 -1.823 -2.244 4 2HB CYS 1 1HB CYS 1 6.542 -1.468 -2.733 5 H GLY 2 H GLY 2 3.806 1.524 -4.959 6 1HA GLY 2 2HA GLY 2 1.863 2.185 -2.958 7 2HA GLY 2 1HA GLY 2 1.927 2.810 -4.598 8 H GLU 3 H GLU 3 1.647 -0.530 -3.443 9 HA GLU 3 HA GLU 3 -0.588 -0.971 -5.233 10 1HB GLU 3 2HB GLU 3 -0.291 -3.254 -4.856 11 2HB GLU 3 1HB GLU 3 1.348 -2.632 -4.716 12 1HG GLU 3 2HG GLU 3 0.951 -2.525 -2.233 13 2HG GLU 3 1HG GLU 3 -0.519 -3.439 -2.515 14 H THR 4 H THR 4 -2.338 -2.426 -4.157 15 HA THR 4 HA THR 4 -3.314 -0.929 -1.831 16 HB THR 4 HB THR 4 -5.572 -1.837 -2.489 17 HG1 THR 4 1HG THR 4 -5.048 -2.172 -5.092 18 1HG2 THR 4 1HG2 THR 4 -4.416 0.453 -3.170 19 2HG2 THR 4 2HG2 THR 4 -6.008 0.003 -3.780 20 3HG2 THR 4 3HG2 THR 4 -4.580 -0.229 -4.788 21 H CYS 5 H CYS 5 -4.258 -2.028 -0.105 22 HA CYS 5 HA CYS 5 -3.195 -4.727 0.227 23 1HB CYS 5 2HB CYS 5 -4.877 -3.490 2.350 24 2HB CYS 5 1HB CYS 5 -3.441 -4.482 2.497 25 H LEU 6 H LEU 6 -4.873 -5.006 -1.679 26 HA LEU 6 HA LEU 6 -7.604 -5.255 -1.122 27 1HB LEU 6 2HB LEU 6 -7.801 -6.529 -3.126 28 2HB LEU 6 1HB LEU 6 -6.594 -5.292 -3.403 29 HG LEU 6 HG LEU 6 -5.846 -8.128 -2.700 30 1HD1 LEU 6 1HD1 LEU 6 -5.419 -8.340 -5.185 31 2HD1 LEU 6 2HD1 LEU 6 -6.430 -6.908 -5.385 32 3HD1 LEU 6 3HD1 LEU 6 -7.108 -8.375 -4.677 33 1HD2 LEU 6 1HD2 LEU 6 -4.119 -6.515 -4.422 34 2HD2 LEU 6 2HD2 LEU 6 -3.719 -7.496 -3.012 35 3HD2 LEU 6 3HD2 LEU 6 -4.329 -5.853 -2.801 36 H LEU 7 H LEU 7 -4.934 -7.436 -0.577 37 HA LEU 7 HA LEU 7 -6.688 -9.576 0.323 38 1HB LEU 7 2HB LEU 7 -4.524 -9.875 -1.020 39 2HB LEU 7 1HB LEU 7 -3.681 -9.501 0.466 40 HG LEU 7 HG LEU 7 -4.762 -11.452 1.544 41 1HD1 LEU 7 1HD1 LEU 7 -5.828 -11.958 -1.228 42 2HD1 LEU 7 2HD1 LEU 7 -6.772 -11.612 0.221 43 3HD1 LEU 7 3HD1 LEU 7 -5.866 -13.120 0.098 44 1HD2 LEU 7 1HD2 LEU 7 -2.528 -11.590 0.485 45 2HD2 LEU 7 2HD2 LEU 7 -3.301 -12.154 -0.997 46 3HD2 LEU 7 3HD2 LEU 7 -3.399 -13.123 0.473 47 H GLY 8 H GLY 8 -6.187 -6.831 1.694 48 1HA GLY 8 2HA GLY 8 -6.602 -6.397 3.987 49 2HA GLY 8 1HA GLY 8 -5.919 -7.972 4.383 50 H THR 9 H THR 9 -3.639 -7.695 2.687 51 HA THR 9 HA THR 9 -2.185 -5.396 3.691 52 HB THR 9 HB THR 9 -1.164 -8.207 4.214 53 HG1 THR 9 1HG THR 9 -2.872 -6.639 5.640 54 1HG2 THR 9 1HG2 THR 9 -0.130 -5.475 4.985 55 2HG2 THR 9 2HG2 THR 9 0.649 -6.652 3.926 56 3HG2 THR 9 3HG2 THR 9 0.484 -6.989 5.650 57 H CYS 10 H CYS 10 -0.406 -4.904 2.444 58 HA CYS 10 HA CYS 10 -0.474 -5.660 -0.270 59 1HB CYS 10 2HB CYS 10 1.756 -4.250 1.171 60 2HB CYS 10 1HB CYS 10 1.327 -4.116 -0.531 61 H TYR 11 H TYR 11 1.116 -6.634 -1.544 62 HA TYR 11 HA TYR 11 2.245 -8.981 -0.354 63 1HB TYR 11 2HB TYR 11 2.399 -7.846 -3.154 64 2HB TYR 11 1HB TYR 11 3.131 -9.376 -2.682 65 HD1 TYR 11 1HD TYR 11 1.939 -11.243 -3.288 66 HD2 TYR 11 2HD TYR 11 -0.209 -7.709 -2.286 67 HE1 TYR 11 1HE TYR 11 -0.178 -12.407 -3.741 68 HE2 TYR 11 2HE TYR 11 -2.332 -8.864 -2.735 69 HH TYR 11 HH TYR 11 -3.064 -11.445 -2.695 70 H THR 12 H THR 12 3.347 -5.791 -1.146 71 HA THR 12 HA THR 12 6.149 -6.514 -1.071 72 HB THR 12 HB THR 12 5.230 -3.698 -0.715 73 HG1 THR 12 1HG THR 12 3.954 -4.534 -2.456 74 1HG2 THR 12 1HG2 THR 12 7.652 -5.106 -1.452 75 2HG2 THR 12 2HG2 THR 12 7.437 -3.435 -0.932 76 3HG2 THR 12 3HG2 THR 12 7.227 -3.863 -2.628 77 H THR 13 H THR 13 7.575 -6.168 0.558 78 HA THR 13 HA THR 13 6.434 -5.963 3.224 79 HB THR 13 HB THR 13 8.914 -6.580 3.817 80 HG1 THR 13 1HG THR 13 9.190 -8.047 1.602 81 1HG2 THR 13 1HG2 THR 13 6.733 -8.304 2.730 82 2HG2 THR 13 2HG2 THR 13 7.373 -8.200 4.371 83 3HG2 THR 13 3HG2 THR 13 8.289 -9.039 3.118 84 H GLY 14 H GLY 14 7.057 -4.475 4.757 85 1HA GLY 14 2HA GLY 14 8.270 -2.672 5.632 86 2HA GLY 14 1HA GLY 14 9.053 -2.460 4.076 87 H CYS 15 H CYS 15 6.085 -2.778 3.137 88 HA CYS 15 HA CYS 15 5.592 0.084 3.053 89 1HB CYS 15 2HB CYS 15 4.076 -2.142 1.662 90 2HB CYS 15 1HB CYS 15 4.059 -0.423 1.261 91 H THR 16 H THR 16 3.635 1.047 3.786 92 HA THR 16 HA THR 16 2.262 -0.576 5.825 93 HB THR 16 HB THR 16 1.641 1.693 6.794 94 HG1 THR 16 1HG THR 16 3.871 2.831 5.609 95 1HG2 THR 16 1HG2 THR 16 4.613 1.385 6.809 96 2HG2 THR 16 2HG2 THR 16 3.610 0.081 7.447 97 3HG2 THR 16 3HG2 THR 16 3.510 1.696 8.149 98 H CYS 17 H CYS 17 0.006 -0.445 6.032 99 HA CYS 17 HA CYS 17 -1.326 0.225 3.550 100 1HB CYS 17 2HB CYS 17 -2.204 -1.211 6.045 101 2HB CYS 17 1HB CYS 17 -3.367 -0.710 4.822 102 H ASN 18 H ASN 18 -1.943 2.165 3.208 103 HA ASN 18 HA ASN 18 -2.527 4.048 5.322 104 1HB ASN 18 2HB ASN 18 -1.420 5.153 3.620 105 2HB ASN 18 1HB ASN 18 -2.137 4.156 2.363 106 1HD2 ASN 18 1HD2 ASN 18 -3.533 5.117 1.120 107 2HD2 ASN 18 2HD2 ASN 18 -4.449 6.529 1.505 108 H LYS 19 H LYS 19 -4.527 5.131 5.504 109 HA LYS 19 HA LYS 19 -6.764 3.708 5.868 110 1HB LYS 19 2HB LYS 19 -6.393 6.066 6.545 111 2HB LYS 19 1HB LYS 19 -6.739 6.570 4.897 112 1HG LYS 19 2HG LYS 19 -8.773 4.956 6.356 113 2HG LYS 19 1HG LYS 19 -8.575 6.659 6.769 114 1HD LYS 19 2HD LYS 19 -9.003 7.298 4.469 115 2HD LYS 19 1HD LYS 19 -9.095 5.602 3.988 116 1HE LYS 19 2HE LYS 19 -11.323 6.541 4.219 117 2HE LYS 19 1HE LYS 19 -11.045 5.304 5.443 118 1HZ LYS 19 1HZ LYS 19 -11.472 8.153 5.755 119 2HZ LYS 19 2HZ LYS 19 -10.275 7.495 6.750 120 3HZ LYS 19 3HZ LYS 19 -11.849 6.879 6.803 121 H TYR 20 H TYR 20 -5.869 5.149 2.755 122 HA TYR 20 HA TYR 20 -8.352 4.390 1.507 123 1HB TYR 20 2HB TYR 20 -6.877 6.342 0.810 124 2HB TYR 20 1HB TYR 20 -5.794 5.151 0.101 125 HD1 TYR 20 1HD TYR 20 -9.523 5.332 0.089 126 HD2 TYR 20 2HD TYR 20 -5.936 5.431 -2.199 127 HE1 TYR 20 1HE TYR 20 -10.850 5.365 -1.981 128 HE2 TYR 20 2HE TYR 20 -7.254 5.466 -4.275 129 HH TYR 20 HH TYR 20 -9.987 4.538 -4.733 130 H ARG 21 H ARG 21 -6.445 2.460 2.804 131 HA ARG 21 HA ARG 21 -5.700 0.365 2.627 132 1HB ARG 21 2HB ARG 21 -8.157 0.133 1.922 133 2HB ARG 21 1HB ARG 21 -7.567 0.052 0.269 134 1HG ARG 21 2HG ARG 21 -8.010 -2.161 1.214 135 2HG ARG 21 1HG ARG 21 -6.313 -1.951 0.777 136 1HD ARG 21 2HD ARG 21 -6.581 -3.077 2.943 137 2HD ARG 21 1HD ARG 21 -5.736 -1.538 3.093 138 HE ARG 21 HE ARG 21 -8.461 -1.093 3.536 139 1HH1 ARG 21 1HH1 ARG 21 -5.773 -2.761 5.031 140 2HH1 ARG 21 2HH1 ARG 21 -6.372 -2.562 6.645 141 1HH2 ARG 21 1HH2 ARG 21 -9.263 -0.820 5.666 142 2HH2 ARG 21 2HH2 ARG 21 -8.367 -1.451 7.007 143 H VAL 22 H VAL 22 -4.164 2.252 1.497 144 HA VAL 22 HA VAL 22 -2.970 0.744 -0.770 145 HB VAL 22 HB VAL 22 -3.078 3.765 -0.510 146 1HG1 VAL 22 1HG1 VAL 22 -1.520 1.961 -2.291 147 2HG1 VAL 22 2HG1 VAL 22 -1.063 3.500 -1.560 148 3HG1 VAL 22 3HG1 VAL 22 -2.143 3.473 -2.954 149 1HG2 VAL 22 1HG2 VAL 22 -5.193 2.825 -1.251 150 2HG2 VAL 22 2HG2 VAL 22 -4.365 1.922 -2.519 151 3HG2 VAL 22 3HG2 VAL 22 -4.400 3.685 -2.570 152 H CYS 23 H CYS 23 -0.783 0.381 -0.653 153 HA CYS 23 HA CYS 23 0.486 0.965 1.851 154 1HB CYS 23 2HB CYS 23 1.134 -0.714 -0.461 155 2HB CYS 23 1HB CYS 23 2.496 -0.107 0.482 156 H THR 24 H THR 24 1.975 2.251 2.385 157 HA THR 24 HA THR 24 3.116 4.091 0.398 158 HB THR 24 HB THR 24 3.254 5.674 2.469 159 HG1 THR 24 1HG THR 24 2.439 3.982 3.920 160 1HG2 THR 24 1HG2 THR 24 1.475 6.820 1.628 161 2HG2 THR 24 2HG2 THR 24 0.431 5.399 1.607 162 3HG2 THR 24 3HG2 THR 24 1.636 5.627 0.340 163 H LYS 25 H LYS 25 5.305 4.352 0.502 164 HA LYS 25 HA LYS 25 6.750 2.535 2.234 165 1HB LYS 25 2HB LYS 25 7.171 2.896 -0.267 166 2HB LYS 25 1HB LYS 25 7.927 4.412 0.187 167 1HG LYS 25 2HG LYS 25 9.508 2.535 -0.208 168 2HG LYS 25 1HG LYS 25 9.652 3.289 1.377 169 1HD LYS 25 2HD LYS 25 7.808 1.014 1.296 170 2HD LYS 25 1HD LYS 25 9.480 0.602 0.916 171 1HE LYS 25 2HE LYS 25 8.544 2.086 3.373 172 2HE LYS 25 1HE LYS 25 9.011 0.387 3.315 173 1HZ LYS 25 1HZ LYS 25 10.757 1.989 4.123 174 2HZ LYS 25 2HZ LYS 25 10.854 2.589 2.545 175 3HZ LYS 25 3HZ LYS 25 11.239 0.970 2.863 176 H ASP 26 H ASP 26 9.082 4.637 1.906 177 HA ASP 26 HA ASP 26 8.826 5.682 4.554 178 1HB ASP 26 2HB ASP 26 10.864 6.638 2.549 179 2HB ASP 26 1HB ASP 26 11.022 6.504 4.297 180 H GLY 27 H GLY 27 8.270 6.854 1.350 181 1HA GLY 27 2HA GLY 27 6.691 9.032 2.240 182 2HA GLY 27 1HA GLY 27 8.261 9.600 1.680 183 H SER 28 H SER 28 8.851 8.112 -0.426 184 HA SER 28 HA SER 28 7.079 9.080 -2.442 185 1HB SER 28 2HB SER 28 9.289 7.059 -2.841 186 2HB SER 28 1HB SER 28 8.673 8.243 -3.995 187 HG SER 28 HG SER 28 10.386 9.290 -3.277 188 H VAL 29 H VAL 29 5.497 8.013 -3.521 189 HA VAL 29 HA VAL 29 4.703 5.411 -2.519 190 HB VAL 29 HB VAL 29 3.312 7.073 -4.624 191 1HG1 VAL 29 1HG1 VAL 29 1.455 5.747 -4.328 192 2HG1 VAL 29 2HG1 VAL 29 1.943 5.238 -2.711 193 3HG1 VAL 29 3HG1 VAL 29 2.752 4.569 -4.128 194 1HG2 VAL 29 1HG2 VAL 29 2.559 8.505 -3.095 195 2HG2 VAL 29 2HG2 VAL 29 3.774 7.847 -2.000 196 3HG2 VAL 29 3HG2 VAL 29 2.134 7.202 -1.985 197 H LEU 30 H LEU 30 6.435 6.691 -5.098 198 HA LEU 30 HA LEU 30 5.873 4.747 -7.099 199 1HB LEU 30 2HB LEU 30 8.104 6.744 -6.783 200 2HB LEU 30 1HB LEU 30 7.996 5.656 -8.150 201 HG LEU 30 HG LEU 30 7.122 7.719 -8.883 202 1HD1 LEU 30 1HD1 LEU 30 5.491 6.676 -9.942 203 2HD1 LEU 30 2HD1 LEU 30 4.449 6.862 -8.530 204 3HD1 LEU 30 3HD1 LEU 30 5.463 5.428 -8.694 205 1HD2 LEU 30 1HD2 LEU 30 6.776 8.674 -6.611 206 2HD2 LEU 30 2HD2 LEU 30 5.261 7.776 -6.515 207 3HD2 LEU 30 3HD2 LEU 30 5.471 9.022 -7.747 208 H ASN 31 H ASN 31 6.132 2.940 -5.462 209 HA ASN 31 HA ASN 31 8.507 1.511 -6.068 210 1HB ASN 31 2HB ASN 31 9.042 1.167 -3.520 211 2HB ASN 31 1HB ASN 31 9.714 2.542 -4.389 212 1HD2 ASN 31 1HD2 ASN 31 9.719 4.261 -3.169 213 2HD2 ASN 31 2HD2 ASN 31 8.462 4.757 -2.087 Start of MODEL 9 1 H CYS 1 H CYS 1 4.833 2.686 -2.753 2 HA CYS 1 HA CYS 1 5.246 0.014 -3.787 3 1HB CYS 1 2HB CYS 1 3.084 1.049 -1.937 4 2HB CYS 1 1HB CYS 1 3.411 -0.643 -2.297 5 H GLY 2 H GLY 2 2.740 2.529 -3.936 6 1HA GLY 2 2HA GLY 2 1.257 3.031 -5.626 7 2HA GLY 2 1HA GLY 2 2.007 1.779 -6.601 8 H GLU 3 H GLU 3 1.593 -0.454 -5.142 9 HA GLU 3 HA GLU 3 -1.021 -1.185 -5.790 10 1HB GLU 3 2HB GLU 3 0.769 -2.808 -5.675 11 2HB GLU 3 1HB GLU 3 0.995 -2.496 -3.959 12 1HG GLU 3 2HG GLU 3 -0.178 -4.578 -4.304 13 2HG GLU 3 1HG GLU 3 -1.215 -3.409 -3.496 14 H THR 4 H THR 4 -2.692 -1.972 -4.425 15 HA THR 4 HA THR 4 -3.010 -0.408 -1.950 16 HB THR 4 HB THR 4 -5.447 -0.847 -2.260 17 HG1 THR 4 1HG THR 4 -4.445 -2.294 -4.432 18 1HG2 THR 4 1HG2 THR 4 -4.029 1.145 -3.283 19 2HG2 THR 4 2HG2 THR 4 -5.753 0.973 -3.615 20 3HG2 THR 4 3HG2 THR 4 -4.569 0.425 -4.801 21 H CYS 5 H CYS 5 -4.297 -1.563 -0.211 22 HA CYS 5 HA CYS 5 -3.255 -4.269 0.003 23 1HB CYS 5 2HB CYS 5 -5.033 -2.939 2.037 24 2HB CYS 5 1HB CYS 5 -3.913 -4.261 2.275 25 H LEU 6 H LEU 6 -4.712 -4.472 -2.001 26 HA LEU 6 HA LEU 6 -7.479 -4.715 -1.821 27 1HB LEU 6 2HB LEU 6 -6.299 -4.732 -3.947 28 2HB LEU 6 1HB LEU 6 -5.513 -6.242 -3.533 29 HG LEU 6 HG LEU 6 -7.744 -7.354 -3.557 30 1HD1 LEU 6 1HD1 LEU 6 -8.894 -5.030 -3.235 31 2HD1 LEU 6 2HD1 LEU 6 -9.686 -6.299 -4.170 32 3HD1 LEU 6 3HD1 LEU 6 -8.844 -4.990 -4.998 33 1HD2 LEU 6 1HD2 LEU 6 -6.577 -7.753 -5.496 34 2HD2 LEU 6 2HD2 LEU 6 -6.549 -6.051 -5.958 35 3HD2 LEU 6 3HD2 LEU 6 -8.035 -6.987 -6.125 36 H LEU 7 H LEU 7 -4.926 -6.993 -1.043 37 HA LEU 7 HA LEU 7 -6.834 -9.059 -0.318 38 1HB LEU 7 2HB LEU 7 -3.818 -8.966 -0.272 39 2HB LEU 7 1HB LEU 7 -4.741 -10.328 0.328 40 HG LEU 7 HG LEU 7 -5.759 -10.460 -2.022 41 1HD1 LEU 7 1HD1 LEU 7 -4.858 -8.168 -2.647 42 2HD1 LEU 7 2HD1 LEU 7 -4.636 -9.462 -3.826 43 3HD1 LEU 7 3HD1 LEU 7 -3.286 -8.952 -2.813 44 1HD2 LEU 7 1HD2 LEU 7 -3.534 -11.613 -0.858 45 2HD2 LEU 7 2HD2 LEU 7 -2.967 -11.102 -2.448 46 3HD2 LEU 7 3HD2 LEU 7 -4.365 -12.168 -2.310 47 H GLY 8 H GLY 8 -6.326 -6.351 1.110 48 1HA GLY 8 2HA GLY 8 -7.009 -5.938 3.340 49 2HA GLY 8 1HA GLY 8 -6.379 -7.514 3.799 50 H THR 9 H THR 9 -3.877 -7.371 2.600 51 HA THR 9 HA THR 9 -2.542 -4.984 3.528 52 HB THR 9 HB THR 9 -1.907 -7.636 4.859 53 HG1 THR 9 1HG THR 9 -3.685 -5.681 5.488 54 1HG2 THR 9 1HG2 THR 9 -0.163 -6.617 5.964 55 2HG2 THR 9 2HG2 THR 9 -0.850 -5.003 5.784 56 3HG2 THR 9 3HG2 THR 9 -0.082 -5.792 4.406 57 H CYS 10 H CYS 10 -0.527 -4.713 2.557 58 HA CYS 10 HA CYS 10 0.077 -6.482 0.356 59 1HB CYS 10 2HB CYS 10 1.158 -3.869 1.326 60 2HB CYS 10 1HB CYS 10 2.155 -4.848 0.260 61 H TYR 11 H TYR 11 1.644 -7.997 0.272 62 HA TYR 11 HA TYR 11 3.021 -8.640 2.742 63 1HB TYR 11 2HB TYR 11 2.773 -10.061 0.091 64 2HB TYR 11 1HB TYR 11 3.846 -10.629 1.364 65 HD1 TYR 11 1HD TYR 11 0.295 -9.418 1.217 66 HD2 TYR 11 2HD TYR 11 3.008 -12.429 2.509 67 HE1 TYR 11 1HE TYR 11 -1.568 -10.647 2.248 68 HE2 TYR 11 2HE TYR 11 1.152 -13.667 3.540 69 HH TYR 11 HH TYR 11 -2.092 -12.322 3.698 70 H THR 12 H THR 12 3.600 -6.545 0.358 71 HA THR 12 HA THR 12 6.309 -7.073 -0.327 72 HB THR 12 HB THR 12 5.265 -4.295 -0.365 73 HG1 THR 12 1HG THR 12 4.174 -5.061 -2.441 74 1HG2 THR 12 1HG2 THR 12 7.171 -4.256 -1.575 75 2HG2 THR 12 2HG2 THR 12 6.149 -4.891 -2.864 76 3HG2 THR 12 3HG2 THR 12 7.123 -5.990 -1.888 77 H THR 13 H THR 13 8.150 -6.293 0.559 78 HA THR 13 HA THR 13 8.110 -5.556 3.308 79 HB THR 13 HB THR 13 10.622 -5.304 2.939 80 HG1 THR 13 1HG THR 13 10.333 -4.946 0.606 81 1HG2 THR 13 1HG2 THR 13 10.399 -7.968 2.038 82 2HG2 THR 13 2HG2 THR 13 8.957 -7.640 2.999 83 3HG2 THR 13 3HG2 THR 13 10.558 -7.399 3.700 84 H GLY 14 H GLY 14 8.170 -3.612 4.212 85 1HA GLY 14 2HA GLY 14 8.788 -1.364 4.421 86 2HA GLY 14 1HA GLY 14 9.159 -1.318 2.706 87 H CYS 15 H CYS 15 6.423 -2.744 2.459 88 HA CYS 15 HA CYS 15 4.944 -0.256 2.148 89 1HB CYS 15 2HB CYS 15 4.259 -3.075 1.288 90 2HB CYS 15 1HB CYS 15 3.280 -1.652 0.946 91 H THR 16 H THR 16 3.221 0.341 3.302 92 HA THR 16 HA THR 16 2.195 -1.508 5.350 93 HB THR 16 HB THR 16 1.845 0.512 6.811 94 HG1 THR 16 1HG THR 16 3.588 1.739 4.906 95 1HG2 THR 16 1HG2 THR 16 4.214 0.694 7.523 96 2HG2 THR 16 2HG2 THR 16 4.690 -0.171 6.061 97 3HG2 THR 16 3HG2 THR 16 3.695 -0.973 7.277 98 H CYS 17 H CYS 17 -0.061 -0.970 6.001 99 HA CYS 17 HA CYS 17 -1.507 -0.143 3.636 100 1HB CYS 17 2HB CYS 17 -2.339 -1.514 6.178 101 2HB CYS 17 1HB CYS 17 -3.522 -0.910 5.017 102 H ASN 18 H ASN 18 -2.215 1.742 3.310 103 HA ASN 18 HA ASN 18 -2.413 3.713 5.441 104 1HB ASN 18 2HB ASN 18 -1.325 4.614 3.558 105 2HB ASN 18 1HB ASN 18 -2.422 3.823 2.430 106 1HD2 ASN 18 1HD2 ASN 18 -3.809 5.087 1.496 107 2HD2 ASN 18 2HD2 ASN 18 -4.408 6.591 2.105 108 H LYS 19 H LYS 19 -4.330 4.778 5.907 109 HA LYS 19 HA LYS 19 -6.588 3.396 6.293 110 1HB LYS 19 2HB LYS 19 -7.502 5.297 7.108 111 2HB LYS 19 1HB LYS 19 -5.856 5.875 6.926 112 1HG LYS 19 2HG LYS 19 -7.889 6.263 4.758 113 2HG LYS 19 1HG LYS 19 -7.786 7.362 6.129 114 1HD LYS 19 2HD LYS 19 -5.406 6.718 4.406 115 2HD LYS 19 1HD LYS 19 -6.534 8.013 4.004 116 1HE LYS 19 2HE LYS 19 -4.955 9.186 5.180 117 2HE LYS 19 1HE LYS 19 -6.064 8.757 6.480 118 1HZ LYS 19 1HZ LYS 19 -3.653 8.389 6.956 119 2HZ LYS 19 2HZ LYS 19 -3.663 7.152 5.798 120 3HZ LYS 19 3HZ LYS 19 -4.632 7.028 7.185 121 H TYR 20 H TYR 20 -5.827 4.988 3.245 122 HA TYR 20 HA TYR 20 -8.489 4.474 2.205 123 1HB TYR 20 2HB TYR 20 -7.082 6.514 1.611 124 2HB TYR 20 1HB TYR 20 -6.085 5.431 0.649 125 HD1 TYR 20 1HD TYR 20 -6.463 5.990 -1.571 126 HD2 TYR 20 2HD TYR 20 -9.795 5.596 1.046 127 HE1 TYR 20 1HE TYR 20 -7.987 6.284 -3.477 128 HE2 TYR 20 2HE TYR 20 -11.329 5.886 -0.855 129 HH TYR 20 HH TYR 20 -10.202 5.901 -4.138 130 H ARG 21 H ARG 21 -6.696 2.335 3.108 131 HA ARG 21 HA ARG 21 -6.022 0.255 2.589 132 1HB ARG 21 2HB ARG 21 -8.480 0.248 1.810 133 2HB ARG 21 1HB ARG 21 -7.841 0.400 0.180 134 1HG ARG 21 2HG ARG 21 -6.450 -1.710 0.826 135 2HG ARG 21 1HG ARG 21 -7.692 -1.906 2.065 136 1HD ARG 21 2HD ARG 21 -8.507 -3.143 0.268 137 2HD ARG 21 1HD ARG 21 -9.364 -1.608 0.138 138 HE ARG 21 HE ARG 21 -7.000 -1.499 -1.393 139 1HH1 ARG 21 1HH1 ARG 21 -10.184 -2.939 -1.405 140 2HH1 ARG 21 2HH1 ARG 21 -10.228 -3.160 -3.121 141 1HH2 ARG 21 1HH2 ARG 21 -7.017 -1.813 -3.670 142 2HH2 ARG 21 2HH2 ARG 21 -8.423 -2.509 -4.414 143 H VAL 22 H VAL 22 -4.410 2.270 1.739 144 HA VAL 22 HA VAL 22 -3.421 1.242 -0.865 145 HB VAL 22 HB VAL 22 -2.992 3.996 0.312 146 1HG1 VAL 22 1HG1 VAL 22 -1.931 4.536 -1.829 147 2HG1 VAL 22 2HG1 VAL 22 -2.107 2.856 -2.338 148 3HG1 VAL 22 3HG1 VAL 22 -1.059 3.259 -0.979 149 1HG2 VAL 22 1HG2 VAL 22 -4.391 3.516 -2.268 150 2HG2 VAL 22 2HG2 VAL 22 -4.591 4.821 -1.099 151 3HG2 VAL 22 3HG2 VAL 22 -5.273 3.228 -0.769 152 H CYS 23 H CYS 23 -1.415 0.401 -0.977 153 HA CYS 23 HA CYS 23 0.096 0.117 1.477 154 1HB CYS 23 2HB CYS 23 0.756 -0.790 -1.332 155 2HB CYS 23 1HB CYS 23 1.520 -1.359 0.145 156 H THR 24 H THR 24 1.436 1.574 2.141 157 HA THR 24 HA THR 24 2.951 3.186 0.196 158 HB THR 24 HB THR 24 2.831 5.029 1.970 159 HG1 THR 24 1HG THR 24 1.951 3.653 3.640 160 1HG2 THR 24 1HG2 THR 24 1.593 5.669 0.180 161 2HG2 THR 24 2HG2 THR 24 0.250 5.380 1.289 162 3HG2 THR 24 3HG2 THR 24 0.705 4.146 0.114 163 H LYS 25 H LYS 25 5.072 3.652 0.727 164 HA LYS 25 HA LYS 25 6.389 1.819 2.460 165 1HB LYS 25 2HB LYS 25 7.335 2.816 0.343 166 2HB LYS 25 1HB LYS 25 7.533 4.326 1.220 167 1HG LYS 25 2HG LYS 25 8.762 2.414 2.825 168 2HG LYS 25 1HG LYS 25 9.219 1.988 1.174 169 1HD LYS 25 2HD LYS 25 10.871 3.500 1.921 170 2HD LYS 25 1HD LYS 25 9.813 4.440 0.864 171 1HE LYS 25 2HE LYS 25 8.559 5.089 2.990 172 2HE LYS 25 1HE LYS 25 9.944 4.443 3.866 173 1HZ LYS 25 1HZ LYS 25 11.111 6.268 3.439 174 2HZ LYS 25 2HZ LYS 25 9.671 6.984 2.900 175 3HZ LYS 25 3HZ LYS 25 10.723 6.246 1.794 176 H ASP 26 H ASP 26 5.295 5.099 2.724 177 HA ASP 26 HA ASP 26 5.781 5.113 5.575 178 1HB ASP 26 2HB ASP 26 6.903 7.396 5.414 179 2HB ASP 26 1HB ASP 26 7.881 6.013 4.952 180 H GLY 27 H GLY 27 4.755 6.926 2.751 181 1HA GLY 27 2HA GLY 27 2.163 7.444 3.826 182 2HA GLY 27 1HA GLY 27 3.182 8.880 3.877 183 H SER 28 H SER 28 4.692 8.258 1.535 184 HA SER 28 HA SER 28 2.843 9.259 -0.426 185 1HB SER 28 2HB SER 28 5.048 10.173 -0.489 186 2HB SER 28 1HB SER 28 5.787 8.581 -0.573 187 HG SER 28 HG SER 28 5.690 9.641 -2.608 188 H VAL 29 H VAL 29 1.994 8.249 -2.116 189 HA VAL 29 HA VAL 29 1.994 5.369 -2.141 190 HB VAL 29 HB VAL 29 0.722 7.217 -4.170 191 1HG1 VAL 29 1HG1 VAL 29 0.952 4.632 -4.465 192 2HG1 VAL 29 2HG1 VAL 29 -0.566 5.441 -4.855 193 3HG1 VAL 29 3HG1 VAL 29 -0.392 4.583 -3.324 194 1HG2 VAL 29 1HG2 VAL 29 -0.249 6.392 -1.454 195 2HG2 VAL 29 2HG2 VAL 29 -1.366 6.850 -2.739 196 3HG2 VAL 29 3HG2 VAL 29 -0.169 8.007 -2.158 197 H LEU 30 H LEU 30 3.928 7.795 -3.358 198 HA LEU 30 HA LEU 30 4.607 6.607 -5.895 199 1HB LEU 30 2HB LEU 30 6.004 8.753 -4.297 200 2HB LEU 30 1HB LEU 30 6.402 8.299 -5.943 201 HG LEU 30 HG LEU 30 3.779 9.497 -5.046 202 1HD1 LEU 30 1HD1 LEU 30 6.005 10.715 -6.670 203 2HD1 LEU 30 2HD1 LEU 30 5.686 11.061 -4.971 204 3HD1 LEU 30 3HD1 LEU 30 4.494 11.492 -6.198 205 1HD2 LEU 30 1HD2 LEU 30 4.485 8.021 -7.386 206 2HD2 LEU 30 2HD2 LEU 30 4.165 9.696 -7.832 207 3HD2 LEU 30 3HD2 LEU 30 2.943 8.766 -6.967 208 H ASN 31 H ASN 31 4.881 4.494 -4.557 209 HA ASN 31 HA ASN 31 7.641 3.834 -4.647 210 1HB ASN 31 2HB ASN 31 7.591 4.949 -2.430 211 2HB ASN 31 1HB ASN 31 6.362 3.805 -1.901 212 1HD2 ASN 31 1HD2 ASN 31 9.668 4.414 -2.246 213 2HD2 ASN 31 2HD2 ASN 31 10.253 2.861 -1.763 Start of MODEL 10 1 H CYS 1 H CYS 1 6.451 3.650 -1.798 2 HA CYS 1 HA CYS 1 6.163 1.142 -3.261 3 1HB CYS 1 2HB CYS 1 6.784 0.522 -0.936 4 2HB CYS 1 1HB CYS 1 5.384 1.412 -0.347 5 H GLY 2 H GLY 2 4.268 1.018 -4.285 6 1HA GLY 2 2HA GLY 2 1.968 2.518 -3.291 7 2HA GLY 2 1HA GLY 2 2.568 2.929 -4.894 8 H GLU 3 H GLU 3 0.395 1.129 -3.250 9 HA GLU 3 HA GLU 3 -0.625 -0.257 -5.484 10 1HB GLU 3 2HB GLU 3 1.331 -1.719 -5.117 11 2HB GLU 3 1HB GLU 3 0.867 -1.940 -3.442 12 1HG GLU 3 2HG GLU 3 0.344 -3.869 -4.884 13 2HG GLU 3 1HG GLU 3 -1.066 -3.195 -4.075 14 H THR 4 H THR 4 -2.455 -1.735 -4.692 15 HA THR 4 HA THR 4 -3.635 -0.443 -2.333 16 HB THR 4 HB THR 4 -5.775 -1.490 -3.147 17 HG1 THR 4 1HG THR 4 -4.059 -2.073 -5.354 18 1HG2 THR 4 1HG2 THR 4 -5.191 0.180 -5.407 19 2HG2 THR 4 2HG2 THR 4 -4.432 0.847 -3.963 20 3HG2 THR 4 3HG2 THR 4 -6.168 0.538 -3.984 21 H CYS 5 H CYS 5 -4.573 -1.607 -0.658 22 HA CYS 5 HA CYS 5 -3.409 -4.258 -0.285 23 1HB CYS 5 2HB CYS 5 -5.242 -2.938 1.701 24 2HB CYS 5 1HB CYS 5 -3.993 -4.128 1.987 25 H LEU 6 H LEU 6 -4.908 -4.671 -2.248 26 HA LEU 6 HA LEU 6 -7.665 -4.928 -1.941 27 1HB LEU 6 2HB LEU 6 -5.778 -6.573 -3.634 28 2HB LEU 6 1HB LEU 6 -7.524 -6.610 -3.783 29 HG LEU 6 HG LEU 6 -5.785 -4.189 -4.266 30 1HD1 LEU 6 1HD1 LEU 6 -5.776 -6.216 -5.904 31 2HD1 LEU 6 2HD1 LEU 6 -5.944 -4.575 -6.529 32 3HD1 LEU 6 3HD1 LEU 6 -7.366 -5.605 -6.364 33 1HD2 LEU 6 1HD2 LEU 6 -7.648 -2.950 -4.578 34 2HD2 LEU 6 2HD2 LEU 6 -8.351 -4.126 -3.468 35 3HD2 LEU 6 3HD2 LEU 6 -8.580 -4.309 -5.207 36 H LEU 7 H LEU 7 -5.057 -7.118 -1.090 37 HA LEU 7 HA LEU 7 -6.897 -9.175 -0.190 38 1HB LEU 7 2HB LEU 7 -3.885 -9.000 0.005 39 2HB LEU 7 1HB LEU 7 -4.848 -10.399 0.437 40 HG LEU 7 HG LEU 7 -4.609 -9.237 -2.341 41 1HD1 LEU 7 1HD1 LEU 7 -3.325 -11.598 -0.998 42 2HD1 LEU 7 2HD1 LEU 7 -2.549 -10.257 -1.842 43 3HD1 LEU 7 3HD1 LEU 7 -3.462 -11.461 -2.751 44 1HD2 LEU 7 1HD2 LEU 7 -5.777 -11.909 -1.690 45 2HD2 LEU 7 2HD2 LEU 7 -6.027 -10.886 -3.105 46 3HD2 LEU 7 3HD2 LEU 7 -6.775 -10.459 -1.565 47 H GLY 8 H GLY 8 -6.502 -6.358 1.004 48 1HA GLY 8 2HA GLY 8 -7.170 -5.727 3.173 49 2HA GLY 8 1HA GLY 8 -6.563 -7.263 3.780 50 H THR 9 H THR 9 -4.044 -7.237 2.590 51 HA THR 9 HA THR 9 -2.699 -4.795 3.338 52 HB THR 9 HB THR 9 -2.143 -7.326 4.919 53 HG1 THR 9 1HG THR 9 -3.875 -5.293 5.326 54 1HG2 THR 9 1HG2 THR 9 -0.570 -5.965 6.192 55 2HG2 THR 9 2HG2 THR 9 -0.919 -4.574 5.165 56 3HG2 THR 9 3HG2 THR 9 -0.120 -5.992 4.486 57 H CYS 10 H CYS 10 -0.676 -4.613 2.378 58 HA CYS 10 HA CYS 10 0.000 -6.636 0.410 59 1HB CYS 10 2HB CYS 10 1.119 -3.914 1.057 60 2HB CYS 10 1HB CYS 10 1.928 -4.997 -0.065 61 H TYR 11 H TYR 11 1.511 -8.175 0.680 62 HA TYR 11 HA TYR 11 3.002 -8.213 3.180 63 1HB TYR 11 2HB TYR 11 2.584 -10.265 1.004 64 2HB TYR 11 1HB TYR 11 3.720 -10.512 2.323 65 HD1 TYR 11 1HD TYR 11 0.183 -9.281 2.065 66 HD2 TYR 11 2HD TYR 11 2.926 -11.950 3.923 67 HE1 TYR 11 1HE TYR 11 -1.633 -10.159 3.471 68 HE2 TYR 11 2HE TYR 11 1.118 -12.836 5.333 69 HH TYR 11 HH TYR 11 -2.160 -11.491 5.181 70 H THR 12 H THR 12 3.678 -6.265 1.178 71 HA THR 12 HA THR 12 6.200 -7.171 0.049 72 HB THR 12 HB THR 12 5.337 -4.332 -0.129 73 HG1 THR 12 1HG THR 12 4.006 -5.119 -2.015 74 1HG2 THR 12 1HG2 THR 12 7.394 -5.115 -1.220 75 2HG2 THR 12 2HG2 THR 12 6.209 -4.552 -2.400 76 3HG2 THR 12 3HG2 THR 12 6.451 -6.281 -2.148 77 H THR 13 H THR 13 8.179 -6.376 0.645 78 HA THR 13 HA THR 13 8.474 -5.537 3.349 79 HB THR 13 HB THR 13 10.931 -5.345 2.665 80 HG1 THR 13 1HG THR 13 10.388 -5.083 0.376 81 1HG2 THR 13 1HG2 THR 13 9.827 -7.362 3.702 82 2HG2 THR 13 2HG2 THR 13 11.258 -7.706 2.731 83 3HG2 THR 13 3HG2 THR 13 9.652 -8.011 2.071 84 H GLY 14 H GLY 14 8.649 -3.552 4.162 85 1HA GLY 14 2HA GLY 14 9.180 -1.287 4.263 86 2HA GLY 14 1HA GLY 14 9.627 -1.352 2.567 87 H CYS 15 H CYS 15 6.648 -2.745 3.088 88 HA CYS 15 HA CYS 15 5.290 -0.264 2.268 89 1HB CYS 15 2HB CYS 15 4.510 -3.115 1.617 90 2HB CYS 15 1HB CYS 15 3.665 -1.666 1.085 91 H THR 16 H THR 16 3.315 0.239 3.164 92 HA THR 16 HA THR 16 2.314 -1.430 5.359 93 HB THR 16 HB THR 16 1.939 0.729 6.665 94 HG1 THR 16 1HG THR 16 4.085 1.992 5.596 95 1HG2 THR 16 1HG2 THR 16 3.644 -0.020 7.887 96 2HG2 THR 16 2HG2 THR 16 4.789 0.695 6.756 97 3HG2 THR 16 3HG2 THR 16 4.214 -0.953 6.504 98 H CYS 17 H CYS 17 0.044 -1.051 5.791 99 HA CYS 17 HA CYS 17 -1.284 -0.049 3.423 100 1HB CYS 17 2HB CYS 17 -2.174 -1.726 5.733 101 2HB CYS 17 1HB CYS 17 -3.364 -0.946 4.690 102 H ASN 18 H ASN 18 -2.150 1.779 3.207 103 HA ASN 18 HA ASN 18 -2.382 3.630 5.434 104 1HB ASN 18 2HB ASN 18 -1.385 4.685 3.605 105 2HB ASN 18 1HB ASN 18 -2.393 3.839 2.440 106 1HD2 ASN 18 1HD2 ASN 18 -3.824 5.027 1.479 107 2HD2 ASN 18 2HD2 ASN 18 -4.522 6.483 2.082 108 H LYS 19 H LYS 19 -4.332 4.707 5.902 109 HA LYS 19 HA LYS 19 -6.549 3.276 6.381 110 1HB LYS 19 2HB LYS 19 -7.817 5.393 6.513 111 2HB LYS 19 1HB LYS 19 -6.250 5.480 7.305 112 1HG LYS 19 2HG LYS 19 -5.331 6.760 5.524 113 2HG LYS 19 1HG LYS 19 -6.749 6.484 4.514 114 1HD LYS 19 2HD LYS 19 -6.952 8.687 5.345 115 2HD LYS 19 1HD LYS 19 -8.088 7.709 6.270 116 1HE LYS 19 2HE LYS 19 -5.313 8.321 7.258 117 2HE LYS 19 1HE LYS 19 -6.674 9.400 7.555 118 1HZ LYS 19 1HZ LYS 19 -6.732 8.119 9.421 119 2HZ LYS 19 2HZ LYS 19 -6.137 6.735 8.651 120 3HZ LYS 19 3HZ LYS 19 -7.751 7.196 8.433 121 H TYR 20 H TYR 20 -5.953 4.961 3.320 122 HA TYR 20 HA TYR 20 -8.564 4.279 2.302 123 1HB TYR 20 2HB TYR 20 -7.157 6.350 1.689 124 2HB TYR 20 1HB TYR 20 -6.255 5.261 0.641 125 HD1 TYR 20 1HD TYR 20 -6.811 5.733 -1.555 126 HD2 TYR 20 2HD TYR 20 -9.908 5.581 1.358 127 HE1 TYR 20 1HE TYR 20 -8.485 6.058 -3.326 128 HE2 TYR 20 2HE TYR 20 -11.591 5.905 -0.403 129 HH TYR 20 HH TYR 20 -11.121 5.394 -3.510 130 H ARG 21 H ARG 21 -6.681 2.200 3.174 131 HA ARG 21 HA ARG 21 -5.949 0.150 2.647 132 1HB ARG 21 2HB ARG 21 -8.417 0.018 1.963 133 2HB ARG 21 1HB ARG 21 -7.867 0.229 0.308 134 1HG ARG 21 2HG ARG 21 -6.602 -1.820 0.423 135 2HG ARG 21 1HG ARG 21 -7.026 -2.016 2.125 136 1HD ARG 21 2HD ARG 21 -8.976 -1.972 -0.175 137 2HD ARG 21 1HD ARG 21 -8.397 -3.422 0.646 138 HE ARG 21 HE ARG 21 -9.524 -1.617 2.511 139 1HH1 ARG 21 1HH1 ARG 21 -10.405 -3.880 -0.001 140 2HH1 ARG 21 2HH1 ARG 21 -11.973 -4.209 0.655 141 1HH2 ARG 21 1HH2 ARG 21 -11.597 -2.041 3.396 142 2HH2 ARG 21 2HH2 ARG 21 -12.654 -3.157 2.597 143 H VAL 22 H VAL 22 -4.406 2.181 1.796 144 HA VAL 22 HA VAL 22 -3.443 1.186 -0.827 145 HB VAL 22 HB VAL 22 -2.992 3.941 0.329 146 1HG1 VAL 22 1HG1 VAL 22 -2.500 3.859 -2.443 147 2HG1 VAL 22 2HG1 VAL 22 -1.640 2.497 -1.730 148 3HG1 VAL 22 3HG1 VAL 22 -1.342 4.133 -1.141 149 1HG2 VAL 22 1HG2 VAL 22 -4.580 4.780 -1.185 150 2HG2 VAL 22 2HG2 VAL 22 -5.341 3.358 -0.471 151 3HG2 VAL 22 3HG2 VAL 22 -4.642 3.266 -2.087 152 H CYS 23 H CYS 23 -1.609 0.150 -0.834 153 HA CYS 23 HA CYS 23 0.114 -0.001 1.469 154 1HB CYS 23 2HB CYS 23 0.679 -1.007 -1.325 155 2HB CYS 23 1HB CYS 23 1.329 -1.618 0.193 156 H THR 24 H THR 24 1.514 1.510 1.921 157 HA THR 24 HA THR 24 2.976 2.843 -0.251 158 HB THR 24 HB THR 24 2.896 4.959 1.060 159 HG1 THR 24 1HG THR 24 1.054 3.485 2.662 160 1HG2 THR 24 1HG2 THR 24 0.111 4.916 0.875 161 2HG2 THR 24 2HG2 THR 24 0.664 3.752 -0.331 162 3HG2 THR 24 3HG2 THR 24 1.248 5.416 -0.379 163 H LYS 25 H LYS 25 4.507 4.449 1.567 164 HA LYS 25 HA LYS 25 6.236 2.359 2.650 165 1HB LYS 25 2HB LYS 25 7.063 4.315 1.218 166 2HB LYS 25 1HB LYS 25 6.768 5.334 2.618 167 1HG LYS 25 2HG LYS 25 8.504 2.918 2.874 168 2HG LYS 25 1HG LYS 25 9.145 4.391 2.155 169 1HD LYS 25 2HD LYS 25 7.747 4.511 4.797 170 2HD LYS 25 1HD LYS 25 9.415 3.946 4.715 171 1HE LYS 25 2HE LYS 25 9.561 6.250 5.160 172 2HE LYS 25 1HE LYS 25 9.923 6.085 3.445 173 1HZ LYS 25 1HZ LYS 25 8.443 7.784 3.365 174 2HZ LYS 25 2HZ LYS 25 7.612 7.304 4.761 175 3HZ LYS 25 3HZ LYS 25 7.333 6.511 3.293 176 H ASP 26 H ASP 26 4.133 4.915 3.578 177 HA ASP 26 HA ASP 26 3.820 4.020 6.249 178 1HB ASP 26 2HB ASP 26 4.602 6.228 7.282 179 2HB ASP 26 1HB ASP 26 5.862 5.109 6.786 180 H GLY 27 H GLY 27 3.576 6.598 3.948 181 1HA GLY 27 2HA GLY 27 0.725 6.796 4.205 182 2HA GLY 27 1HA GLY 27 1.578 8.209 4.830 183 H SER 28 H SER 28 3.763 8.121 3.064 184 HA SER 28 HA SER 28 2.582 9.377 0.753 185 1HB SER 28 2HB SER 28 5.498 8.843 1.377 186 2HB SER 28 1HB SER 28 4.871 9.970 0.175 187 HG SER 28 HG SER 28 3.810 10.436 2.627 188 H VAL 29 H VAL 29 2.566 8.598 -1.316 189 HA VAL 29 HA VAL 29 2.634 5.796 -1.724 190 HB VAL 29 HB VAL 29 2.666 7.870 -3.916 191 1HG1 VAL 29 1HG1 VAL 29 2.079 6.225 -5.308 192 2HG1 VAL 29 2HG1 VAL 29 0.899 5.569 -4.173 193 3HG1 VAL 29 3HG1 VAL 29 2.600 5.124 -4.032 194 1HG2 VAL 29 1HG2 VAL 29 0.667 7.426 -1.847 195 2HG2 VAL 29 2HG2 VAL 29 0.019 7.269 -3.479 196 3HG2 VAL 29 3HG2 VAL 29 0.836 8.755 -2.994 197 H LEU 30 H LEU 30 5.128 7.966 -1.535 198 HA LEU 30 HA LEU 30 6.861 7.092 -3.587 199 1HB LEU 30 2HB LEU 30 7.376 8.446 -0.944 200 2HB LEU 30 1HB LEU 30 8.667 8.039 -2.056 201 HG LEU 30 HG LEU 30 7.454 9.464 -3.781 202 1HD1 LEU 30 1HD1 LEU 30 6.163 10.960 -1.593 203 2HD1 LEU 30 2HD1 LEU 30 5.377 9.458 -2.083 204 3HD1 LEU 30 3HD1 LEU 30 5.662 10.733 -3.268 205 1HD2 LEU 30 1HD2 LEU 30 8.376 10.975 -1.354 206 2HD2 LEU 30 2HD2 LEU 30 8.514 11.441 -3.050 207 3HD2 LEU 30 3HD2 LEU 30 9.480 10.106 -2.421 208 H ASN 31 H ASN 31 8.507 5.616 -3.579 209 HA ASN 31 HA ASN 31 9.791 3.830 -3.013 210 1HB ASN 31 2HB ASN 31 10.028 4.781 -0.739 211 2HB ASN 31 1HB ASN 31 8.545 3.962 -0.259 212 1HD2 ASN 31 1HD2 ASN 31 8.779 2.047 0.667 213 2HD2 ASN 31 2HD2 ASN 31 10.156 1.015 0.519 Start of MODEL 11 1 H CYS 1 H CYS 1 5.462 3.706 -3.339 2 HA CYS 1 HA CYS 1 5.736 0.925 -4.088 3 1HB CYS 1 2HB CYS 1 6.584 0.933 -1.765 4 2HB CYS 1 1HB CYS 1 5.097 1.703 -1.227 5 H GLY 2 H GLY 2 4.181 1.920 -5.600 6 1HA GLY 2 2HA GLY 2 1.623 2.802 -4.651 7 2HA GLY 2 1HA GLY 2 2.051 2.450 -6.321 8 H GLU 3 H GLU 3 2.057 0.469 -3.412 9 HA GLU 3 HA GLU 3 0.715 -1.699 -4.794 10 1HB GLU 3 2HB GLU 3 2.649 -1.499 -2.799 11 2HB GLU 3 1HB GLU 3 1.218 -2.065 -1.958 12 1HG GLU 3 2HG GLU 3 2.198 -3.386 -4.450 13 2HG GLU 3 1HG GLU 3 2.844 -3.780 -2.871 14 H THR 4 H THR 4 -0.864 -2.921 -3.332 15 HA THR 4 HA THR 4 -2.643 -1.108 -1.861 16 HB THR 4 HB THR 4 -4.626 -2.198 -3.005 17 HG1 THR 4 1HG THR 4 -2.535 -3.244 -4.465 18 1HG2 THR 4 1HG2 THR 4 -3.894 0.163 -3.362 19 2HG2 THR 4 2HG2 THR 4 -4.717 -0.549 -4.750 20 3HG2 THR 4 3HG2 THR 4 -2.960 -0.386 -4.754 21 H CYS 5 H CYS 5 -3.885 -2.096 -0.317 22 HA CYS 5 HA CYS 5 -3.012 -4.820 0.304 23 1HB CYS 5 2HB CYS 5 -4.760 -3.216 2.127 24 2HB CYS 5 1HB CYS 5 -3.552 -4.426 2.521 25 H LEU 6 H LEU 6 -4.485 -5.087 -1.760 26 HA LEU 6 HA LEU 6 -7.264 -5.110 -1.548 27 1HB LEU 6 2HB LEU 6 -5.499 -6.971 -3.136 28 2HB LEU 6 1HB LEU 6 -7.222 -6.757 -3.384 29 HG LEU 6 HG LEU 6 -5.114 -4.630 -3.781 30 1HD1 LEU 6 1HD1 LEU 6 -4.797 -5.805 -5.675 31 2HD1 LEU 6 2HD1 LEU 6 -6.275 -4.988 -6.185 32 3HD1 LEU 6 3HD1 LEU 6 -6.349 -6.633 -5.551 33 1HD2 LEU 6 1HD2 LEU 6 -7.269 -3.722 -3.031 34 2HD2 LEU 6 2HD2 LEU 6 -8.076 -4.566 -4.353 35 3HD2 LEU 6 3HD2 LEU 6 -6.914 -3.285 -4.701 36 H LEU 7 H LEU 7 -4.922 -7.602 -0.712 37 HA LEU 7 HA LEU 7 -6.891 -9.534 0.063 38 1HB LEU 7 2HB LEU 7 -4.184 -9.574 -0.498 39 2HB LEU 7 1HB LEU 7 -4.224 -9.816 1.236 40 HG LEU 7 HG LEU 7 -4.146 -11.930 -0.007 41 1HD1 LEU 7 1HD1 LEU 7 -5.938 -11.252 2.064 42 2HD1 LEU 7 2HD1 LEU 7 -5.214 -12.821 1.711 43 3HD1 LEU 7 3HD1 LEU 7 -6.766 -12.386 0.997 44 1HD2 LEU 7 1HD2 LEU 7 -6.546 -10.770 -1.315 45 2HD2 LEU 7 2HD2 LEU 7 -6.491 -12.514 -1.062 46 3HD2 LEU 7 3HD2 LEU 7 -5.228 -11.720 -2.003 47 H GLY 8 H GLY 8 -5.541 -6.769 1.491 48 1HA GLY 8 2HA GLY 8 -6.886 -6.155 3.561 49 2HA GLY 8 1HA GLY 8 -6.275 -7.678 4.198 50 H THR 9 H THR 9 -3.724 -7.413 2.883 51 HA THR 9 HA THR 9 -2.508 -5.069 4.102 52 HB THR 9 HB THR 9 -1.449 -7.856 4.662 53 HG1 THR 9 1HG THR 9 -3.451 -6.452 5.873 54 1HG2 THR 9 1HG2 THR 9 0.047 -6.801 6.190 55 2HG2 THR 9 2HG2 THR 9 -0.781 -5.252 6.033 56 3HG2 THR 9 3HG2 THR 9 0.149 -5.895 4.680 57 H CYS 10 H CYS 10 -0.409 -4.643 3.246 58 HA CYS 10 HA CYS 10 -0.143 -4.915 0.518 59 1HB CYS 10 2HB CYS 10 2.082 -4.467 2.513 60 2HB CYS 10 1HB CYS 10 2.141 -4.088 0.796 61 H TYR 11 H TYR 11 0.890 -6.213 -0.861 62 HA TYR 11 HA TYR 11 1.644 -8.850 0.069 63 1HB TYR 11 2HB TYR 11 1.796 -7.664 -2.720 64 2HB TYR 11 1HB TYR 11 1.955 -9.365 -2.310 65 HD1 TYR 11 1HD TYR 11 0.125 -10.678 -2.777 66 HD2 TYR 11 2HD TYR 11 -0.523 -6.602 -1.747 67 HE1 TYR 11 1HE TYR 11 -2.292 -10.973 -3.133 68 HE2 TYR 11 2HE TYR 11 -2.936 -6.889 -2.093 69 HH TYR 11 HH TYR 11 -4.316 -8.961 -3.761 70 H THR 12 H THR 12 3.080 -5.859 -0.855 71 HA THR 12 HA THR 12 5.764 -6.973 -1.048 72 HB THR 12 HB THR 12 5.135 -4.042 -1.129 73 HG1 THR 12 1HG THR 12 3.816 -5.524 -2.630 74 1HG2 THR 12 1HG2 THR 12 7.201 -5.738 -2.532 75 2HG2 THR 12 2HG2 THR 12 7.488 -4.739 -1.105 76 3HG2 THR 12 3HG2 THR 12 7.055 -3.983 -2.639 77 H THR 13 H THR 13 7.435 -6.405 0.319 78 HA THR 13 HA THR 13 6.665 -5.897 3.049 79 HB THR 13 HB THR 13 9.200 -6.269 3.400 80 HG1 THR 13 1HG THR 13 9.837 -7.709 1.452 81 1HG2 THR 13 1HG2 THR 13 7.681 -7.970 4.056 82 2HG2 THR 13 2HG2 THR 13 8.896 -8.763 3.052 83 3HG2 THR 13 3HG2 THR 13 7.309 -8.383 2.382 84 H GLY 14 H GLY 14 7.481 -4.256 4.358 85 1HA GLY 14 2HA GLY 14 8.517 -2.244 4.871 86 2HA GLY 14 1HA GLY 14 9.157 -2.192 3.239 87 H CYS 15 H CYS 15 5.944 -2.805 2.997 88 HA CYS 15 HA CYS 15 5.355 0.055 2.609 89 1HB CYS 15 2HB CYS 15 4.011 -2.344 1.331 90 2HB CYS 15 1HB CYS 15 3.662 -0.652 0.981 91 H THR 16 H THR 16 3.526 0.944 3.568 92 HA THR 16 HA THR 16 2.238 -0.771 5.582 93 HB THR 16 HB THR 16 1.707 1.367 6.767 94 HG1 THR 16 1HG THR 16 3.599 2.556 5.001 95 1HG2 THR 16 1HG2 THR 16 4.530 0.499 6.271 96 2HG2 THR 16 2HG2 THR 16 3.525 0.263 7.702 97 3HG2 THR 16 3HG2 THR 16 4.190 1.857 7.343 98 H CYS 17 H CYS 17 -0.012 -0.599 5.913 99 HA CYS 17 HA CYS 17 -1.441 0.153 3.506 100 1HB CYS 17 2HB CYS 17 -2.287 -1.285 6.025 101 2HB CYS 17 1HB CYS 17 -3.409 -0.870 4.733 102 H ASN 18 H ASN 18 -2.074 2.171 3.291 103 HA ASN 18 HA ASN 18 -2.697 3.775 5.648 104 1HB ASN 18 2HB ASN 18 -2.239 5.612 4.394 105 2HB ASN 18 1HB ASN 18 -1.452 4.466 3.320 106 1HD2 ASN 18 1HD2 ASN 18 -2.096 4.382 1.295 107 2HD2 ASN 18 2HD2 ASN 18 -3.509 5.156 0.659 108 H LYS 19 H LYS 19 -4.747 4.792 5.874 109 HA LYS 19 HA LYS 19 -6.904 3.232 5.937 110 1HB LYS 19 2HB LYS 19 -8.089 5.018 6.648 111 2HB LYS 19 1HB LYS 19 -6.492 5.737 6.697 112 1HG LYS 19 2HG LYS 19 -8.361 6.035 4.360 113 2HG LYS 19 1HG LYS 19 -8.315 7.158 5.719 114 1HD LYS 19 2HD LYS 19 -5.934 7.593 5.232 115 2HD LYS 19 1HD LYS 19 -6.043 6.523 3.835 116 1HE LYS 19 2HE LYS 19 -7.609 9.067 4.265 117 2HE LYS 19 1HE LYS 19 -6.247 8.859 3.169 118 1HZ LYS 19 1HZ LYS 19 -8.584 7.104 2.885 119 2HZ LYS 19 2HZ LYS 19 -7.490 7.633 1.709 120 3HZ LYS 19 3HZ LYS 19 -8.673 8.688 2.295 121 H TYR 20 H TYR 20 -5.871 4.821 3.006 122 HA TYR 20 HA TYR 20 -8.373 4.340 1.630 123 1HB TYR 20 2HB TYR 20 -6.450 6.120 1.173 124 2HB TYR 20 1HB TYR 20 -5.822 4.828 0.156 125 HD1 TYR 20 1HD TYR 20 -9.259 6.119 0.825 126 HD2 TYR 20 2HD TYR 20 -6.255 5.285 -2.068 127 HE1 TYR 20 1HE TYR 20 -10.794 6.816 -0.956 128 HE2 TYR 20 2HE TYR 20 -7.786 5.978 -3.864 129 HH TYR 20 HH TYR 20 -10.242 6.173 -4.220 130 H ARG 21 H ARG 21 -6.380 2.299 2.864 131 HA ARG 21 HA ARG 21 -5.729 0.178 2.606 132 1HB ARG 21 2HB ARG 21 -8.195 -0.009 1.928 133 2HB ARG 21 1HB ARG 21 -7.638 0.003 0.263 134 1HG ARG 21 2HG ARG 21 -8.069 -2.256 1.024 135 2HG ARG 21 1HG ARG 21 -6.357 -2.032 0.668 136 1HD ARG 21 2HD ARG 21 -6.719 -3.306 2.738 137 2HD ARG 21 1HD ARG 21 -5.864 -1.793 3.025 138 HE ARG 21 HE ARG 21 -8.555 -1.270 3.414 139 1HH1 ARG 21 1HH1 ARG 21 -6.122 -3.358 4.828 140 2HH1 ARG 21 2HH1 ARG 21 -6.809 -3.300 6.415 141 1HH2 ARG 21 1HH2 ARG 21 -9.469 -1.191 5.514 142 2HH2 ARG 21 2HH2 ARG 21 -8.719 -2.065 6.808 143 H VAL 22 H VAL 22 -4.306 2.207 1.461 144 HA VAL 22 HA VAL 22 -3.103 0.793 -0.851 145 HB VAL 22 HB VAL 22 -3.246 3.789 -0.459 146 1HG1 VAL 22 1HG1 VAL 22 -1.116 3.186 -1.446 147 2HG1 VAL 22 2HG1 VAL 22 -2.153 3.948 -2.653 148 3HG1 VAL 22 3HG1 VAL 22 -1.936 2.198 -2.655 149 1HG2 VAL 22 1HG2 VAL 22 -4.703 3.860 -2.315 150 2HG2 VAL 22 2HG2 VAL 22 -5.319 2.590 -1.258 151 3HG2 VAL 22 3HG2 VAL 22 -4.403 2.167 -2.706 152 H CYS 23 H CYS 23 -0.962 0.507 -0.862 153 HA CYS 23 HA CYS 23 0.420 0.692 1.633 154 1HB CYS 23 2HB CYS 23 1.384 -0.146 -1.103 155 2HB CYS 23 1HB CYS 23 2.209 -0.456 0.423 156 H THR 24 H THR 24 1.868 2.033 2.320 157 HA THR 24 HA THR 24 3.052 4.015 0.505 158 HB THR 24 HB THR 24 2.860 5.609 2.560 159 HG1 THR 24 1HG THR 24 1.974 3.968 3.965 160 1HG2 THR 24 1HG2 THR 24 0.195 5.703 1.719 161 2HG2 THR 24 2HG2 THR 24 1.090 5.044 0.349 162 3HG2 THR 24 3HG2 THR 24 1.557 6.597 1.041 163 H LYS 25 H LYS 25 5.168 4.639 1.056 164 HA LYS 25 HA LYS 25 6.505 2.818 2.915 165 1HB LYS 25 2HB LYS 25 7.720 4.846 1.022 166 2HB LYS 25 1HB LYS 25 8.576 3.575 1.885 167 1HG LYS 25 2HG LYS 25 6.420 3.028 -0.130 168 2HG LYS 25 1HG LYS 25 8.130 3.144 -0.544 169 1HD LYS 25 2HD LYS 25 7.151 1.276 1.592 170 2HD LYS 25 1HD LYS 25 7.146 0.815 -0.112 171 1HE LYS 25 2HE LYS 25 9.570 1.316 -0.205 172 2HE LYS 25 1HE LYS 25 9.537 1.641 1.529 173 1HZ LYS 25 1HZ LYS 25 8.687 -0.944 0.353 174 2HZ LYS 25 2HZ LYS 25 8.985 -0.595 1.980 175 3HZ LYS 25 3HZ LYS 25 10.268 -0.644 0.878 176 H ASP 26 H ASP 26 7.612 6.022 2.145 177 HA ASP 26 HA ASP 26 7.990 6.745 4.906 178 1HB ASP 26 2HB ASP 26 8.756 8.913 3.878 179 2HB ASP 26 1HB ASP 26 9.593 7.503 3.232 180 H GLY 27 H GLY 27 5.897 7.495 2.264 181 1HA GLY 27 2HA GLY 27 3.551 8.028 3.535 182 2HA GLY 27 1HA GLY 27 4.401 9.577 3.528 183 H SER 28 H SER 28 5.861 9.053 1.157 184 HA SER 28 HA SER 28 3.998 9.965 -0.793 185 1HB SER 28 2HB SER 28 6.823 8.994 -1.267 186 2HB SER 28 1HB SER 28 5.905 10.155 -2.228 187 HG SER 28 HG SER 28 7.170 10.480 0.264 188 H VAL 29 H VAL 29 2.970 8.845 -2.362 189 HA VAL 29 HA VAL 29 2.890 5.994 -2.210 190 HB VAL 29 HB VAL 29 1.659 7.746 -4.341 191 1HG1 VAL 29 1HG1 VAL 29 0.450 5.200 -3.387 192 2HG1 VAL 29 2HG1 VAL 29 1.838 5.117 -4.473 193 3HG1 VAL 29 3HG1 VAL 29 0.374 5.963 -4.975 194 1HG2 VAL 29 1HG2 VAL 29 0.946 8.549 -2.176 195 2HG2 VAL 29 2HG2 VAL 29 0.533 6.912 -1.670 196 3HG2 VAL 29 3HG2 VAL 29 -0.385 7.695 -2.956 197 H LEU 30 H LEU 30 4.574 8.307 -4.059 198 HA LEU 30 HA LEU 30 5.283 6.665 -6.281 199 1HB LEU 30 2HB LEU 30 6.420 9.254 -5.233 200 2HB LEU 30 1HB LEU 30 7.036 8.455 -6.666 201 HG LEU 30 HG LEU 30 5.604 10.151 -7.444 202 1HD1 LEU 30 1HD1 LEU 30 4.455 7.413 -7.559 203 2HD1 LEU 30 2HD1 LEU 30 5.151 8.404 -8.840 204 3HD1 LEU 30 3HD1 LEU 30 3.533 8.755 -8.235 205 1HD2 LEU 30 1HD2 LEU 30 3.924 9.389 -5.138 206 2HD2 LEU 30 2HD2 LEU 30 3.078 9.926 -6.588 207 3HD2 LEU 30 3HD2 LEU 30 4.268 10.978 -5.821 208 H ASN 31 H ASN 31 5.810 4.907 -4.593 209 HA ASN 31 HA ASN 31 8.607 4.425 -4.683 210 1HB ASN 31 2HB ASN 31 8.369 6.003 -2.680 211 2HB ASN 31 1HB ASN 31 7.484 4.705 -1.887 212 1HD2 ASN 31 1HD2 ASN 31 10.414 6.106 -2.180 213 2HD2 ASN 31 2HD2 ASN 31 11.426 4.788 -1.714 Start of MODEL 12 1 H CYS 1 H CYS 1 4.705 3.071 -4.419 2 HA CYS 1 HA CYS 1 6.405 1.012 -3.327 3 1HB CYS 1 2HB CYS 1 5.193 1.429 -1.316 4 2HB CYS 1 1HB CYS 1 3.666 1.568 -2.178 5 H GLY 2 H GLY 2 3.269 1.835 -4.775 6 1HA GLY 2 2HA GLY 2 2.237 0.968 -6.647 7 2HA GLY 2 1HA GLY 2 3.708 0.058 -6.967 8 H GLU 3 H GLU 3 1.539 0.029 -4.185 9 HA GLU 3 HA GLU 3 0.533 -2.603 -4.825 10 1HB GLU 3 2HB GLU 3 2.540 -3.300 -3.772 11 2HB GLU 3 1HB GLU 3 2.421 -2.056 -2.546 12 1HG GLU 3 2HG GLU 3 1.985 -4.172 -1.551 13 2HG GLU 3 1HG GLU 3 0.504 -3.238 -1.562 14 H THR 4 H THR 4 -1.156 -3.248 -3.367 15 HA THR 4 HA THR 4 -2.255 -1.152 -1.640 16 HB THR 4 HB THR 4 -4.560 -1.677 -2.621 17 HG1 THR 4 1HG THR 4 -2.873 -2.970 -4.413 18 1HG2 THR 4 1HG2 THR 4 -2.463 -0.003 -3.951 19 2HG2 THR 4 2HG2 THR 4 -3.853 0.500 -2.988 20 3HG2 THR 4 3HG2 THR 4 -4.088 -0.091 -4.632 21 H CYS 5 H CYS 5 -3.705 -1.954 -0.050 22 HA CYS 5 HA CYS 5 -3.247 -4.797 0.444 23 1HB CYS 5 2HB CYS 5 -4.832 -3.172 2.367 24 2HB CYS 5 1HB CYS 5 -3.626 -4.406 2.667 25 H LEU 6 H LEU 6 -4.774 -4.688 -1.660 26 HA LEU 6 HA LEU 6 -7.540 -4.440 -1.335 27 1HB LEU 6 2HB LEU 6 -6.018 -6.289 -3.174 28 2HB LEU 6 1HB LEU 6 -7.727 -5.924 -3.313 29 HG LEU 6 HG LEU 6 -5.476 -3.935 -3.626 30 1HD1 LEU 6 1HD1 LEU 6 -5.408 -4.494 -5.769 31 2HD1 LEU 6 2HD1 LEU 6 -7.149 -4.256 -5.921 32 3HD1 LEU 6 3HD1 LEU 6 -6.515 -5.827 -5.431 33 1HD2 LEU 6 1HD2 LEU 6 -7.777 -3.187 -2.683 34 2HD2 LEU 6 2HD2 LEU 6 -8.339 -3.438 -4.336 35 3HD2 LEU 6 3HD2 LEU 6 -7.047 -2.281 -4.010 36 H LEU 7 H LEU 7 -5.450 -7.240 -0.944 37 HA LEU 7 HA LEU 7 -7.578 -8.980 -0.157 38 1HB LEU 7 2HB LEU 7 -5.882 -10.636 0.261 39 2HB LEU 7 1HB LEU 7 -5.564 -9.830 -1.241 40 HG LEU 7 HG LEU 7 -3.487 -10.242 -0.276 41 1HD1 LEU 7 1HD1 LEU 7 -3.030 -8.256 -1.159 42 2HD1 LEU 7 2HD1 LEU 7 -2.888 -7.744 0.523 43 3HD1 LEU 7 3HD1 LEU 7 -4.388 -7.463 -0.362 44 1HD2 LEU 7 1HD2 LEU 7 -3.054 -10.381 1.886 45 2HD2 LEU 7 2HD2 LEU 7 -4.775 -10.111 2.160 46 3HD2 LEU 7 3HD2 LEU 7 -3.653 -8.751 2.192 47 H GLY 8 H GLY 8 -5.764 -6.588 1.373 48 1HA GLY 8 2HA GLY 8 -6.861 -6.072 3.605 49 2HA GLY 8 1HA GLY 8 -6.381 -7.714 4.021 50 H THR 9 H THR 9 -3.848 -7.534 2.506 51 HA THR 9 HA THR 9 -2.423 -5.386 3.883 52 HB THR 9 HB THR 9 -1.661 -8.264 4.460 53 HG1 THR 9 1HG THR 9 -3.425 -6.551 5.692 54 1HG2 THR 9 1HG2 THR 9 -0.310 -7.015 6.286 55 2HG2 THR 9 2HG2 THR 9 -0.522 -5.603 5.249 56 3HG2 THR 9 3HG2 THR 9 0.309 -7.032 4.636 57 H CYS 10 H CYS 10 -0.548 -4.810 2.926 58 HA CYS 10 HA CYS 10 -0.044 -5.396 0.262 59 1HB CYS 10 2HB CYS 10 2.139 -4.518 2.125 60 2HB CYS 10 1HB CYS 10 1.852 -4.038 0.458 61 H TYR 11 H TYR 11 1.237 -6.776 -0.834 62 HA TYR 11 HA TYR 11 2.331 -9.040 0.610 63 1HB TYR 11 2HB TYR 11 1.921 -8.352 -2.272 64 2HB TYR 11 1HB TYR 11 3.121 -9.572 -1.864 65 HD1 TYR 11 1HD TYR 11 -0.235 -8.865 -0.376 66 HD2 TYR 11 2HD TYR 11 2.236 -11.618 -2.476 67 HE1 TYR 11 1HE TYR 11 -2.001 -10.566 -0.215 68 HE2 TYR 11 2HE TYR 11 0.475 -13.325 -2.323 69 HH TYR 11 HH TYR 11 -2.164 -13.063 -0.263 70 H THR 12 H THR 12 3.428 -6.152 -0.997 71 HA THR 12 HA THR 12 6.202 -6.843 -1.027 72 HB THR 12 HB THR 12 5.341 -4.001 -1.045 73 HG1 THR 12 1HG THR 12 4.446 -4.196 -3.080 74 1HG2 THR 12 1HG2 THR 12 7.698 -4.692 -1.405 75 2HG2 THR 12 2HG2 THR 12 7.019 -3.813 -2.775 76 3HG2 THR 12 3HG2 THR 12 7.185 -5.568 -2.847 77 H THR 13 H THR 13 7.769 -6.313 0.377 78 HA THR 13 HA THR 13 7.004 -5.681 3.081 79 HB THR 13 HB THR 13 9.514 -5.963 3.479 80 HG1 THR 13 1HG THR 13 10.062 -5.601 1.221 81 1HG2 THR 13 1HG2 THR 13 8.065 -7.764 4.040 82 2HG2 THR 13 2HG2 THR 13 9.385 -8.460 3.097 83 3HG2 THR 13 3HG2 THR 13 7.816 -8.179 2.343 84 H GLY 14 H GLY 14 7.495 -3.862 4.228 85 1HA GLY 14 2HA GLY 14 8.677 -1.844 4.623 86 2HA GLY 14 1HA GLY 14 9.071 -1.760 2.915 87 H CYS 15 H CYS 15 6.152 -2.525 2.496 88 HA CYS 15 HA CYS 15 5.193 0.218 2.417 89 1HB CYS 15 2HB CYS 15 3.960 -2.300 1.277 90 2HB CYS 15 1HB CYS 15 3.439 -0.649 0.951 91 H THR 16 H THR 16 3.456 0.986 3.532 92 HA THR 16 HA THR 16 2.344 -0.796 5.595 93 HB THR 16 HB THR 16 1.791 1.396 6.776 94 HG1 THR 16 1HG THR 16 3.747 2.418 4.959 95 1HG2 THR 16 1HG2 THR 16 4.131 1.688 7.602 96 2HG2 THR 16 2HG2 THR 16 4.666 0.596 6.325 97 3HG2 THR 16 3HG2 THR 16 3.581 0.013 7.588 98 H CYS 17 H CYS 17 0.080 -0.646 6.051 99 HA CYS 17 HA CYS 17 -1.451 0.077 3.699 100 1HB CYS 17 2HB CYS 17 -2.157 -1.371 6.250 101 2HB CYS 17 1HB CYS 17 -3.368 -0.927 5.050 102 H ASN 18 H ASN 18 -2.278 2.005 3.452 103 HA ASN 18 HA ASN 18 -2.858 3.632 5.824 104 1HB ASN 18 2HB ASN 18 -2.252 5.464 4.641 105 2HB ASN 18 1HB ASN 18 -1.503 4.324 3.536 106 1HD2 ASN 18 1HD2 ASN 18 -2.121 4.345 1.503 107 2HD2 ASN 18 2HD2 ASN 18 -3.492 5.194 0.875 108 H LYS 19 H LYS 19 -4.886 4.637 6.012 109 HA LYS 19 HA LYS 19 -7.082 3.146 5.924 110 1HB LYS 19 2HB LYS 19 -8.284 4.956 6.589 111 2HB LYS 19 1HB LYS 19 -6.662 5.588 6.812 112 1HG LYS 19 2HG LYS 19 -8.256 6.073 4.311 113 2HG LYS 19 1HG LYS 19 -8.357 7.121 5.725 114 1HD LYS 19 2HD LYS 19 -6.016 7.652 5.555 115 2HD LYS 19 1HD LYS 19 -5.803 6.485 4.252 116 1HE LYS 19 2HE LYS 19 -5.923 8.740 3.359 117 2HE LYS 19 1HE LYS 19 -7.321 7.798 2.844 118 1HZ LYS 19 1HZ LYS 19 -8.089 9.000 5.192 119 2HZ LYS 19 2HZ LYS 19 -8.555 9.449 3.629 120 3HZ LYS 19 3HZ LYS 19 -7.231 10.202 4.364 121 H TYR 20 H TYR 20 -5.922 4.869 3.105 122 HA TYR 20 HA TYR 20 -8.369 4.488 1.616 123 1HB TYR 20 2HB TYR 20 -6.379 6.236 1.323 124 2HB TYR 20 1HB TYR 20 -5.759 4.985 0.253 125 HD1 TYR 20 1HD TYR 20 -9.120 6.468 0.918 126 HD2 TYR 20 2HD TYR 20 -6.168 5.450 -1.969 127 HE1 TYR 20 1HE TYR 20 -10.586 7.307 -0.861 128 HE2 TYR 20 2HE TYR 20 -7.627 6.287 -3.763 129 HH TYR 20 HH TYR 20 -10.165 6.623 -4.067 130 H ARG 21 H ARG 21 -6.501 2.334 2.827 131 HA ARG 21 HA ARG 21 -5.902 0.207 2.501 132 1HB ARG 21 2HB ARG 21 -8.333 0.162 1.622 133 2HB ARG 21 1HB ARG 21 -7.616 0.150 0.016 134 1HG ARG 21 2HG ARG 21 -8.076 -2.093 0.551 135 2HG ARG 21 1HG ARG 21 -6.331 -1.895 0.735 136 1HD ARG 21 2HD ARG 21 -6.820 -3.023 2.667 137 2HD ARG 21 1HD ARG 21 -6.984 -1.359 3.225 138 HE ARG 21 HE ARG 21 -9.209 -1.733 3.566 139 1HH1 ARG 21 1HH1 ARG 21 -7.947 -4.277 1.515 140 2HH1 ARG 21 2HH1 ARG 21 -9.440 -5.160 1.459 141 1HH2 ARG 21 1HH2 ARG 21 -11.187 -2.902 3.509 142 2HH2 ARG 21 2HH2 ARG 21 -11.284 -4.376 2.604 143 H VAL 22 H VAL 22 -4.384 2.290 1.463 144 HA VAL 22 HA VAL 22 -3.111 0.912 -0.835 145 HB VAL 22 HB VAL 22 -3.073 3.889 -0.302 146 1HG1 VAL 22 1HG1 VAL 22 -1.090 2.586 -1.496 147 2HG1 VAL 22 2HG1 VAL 22 -1.625 4.182 -2.026 148 3HG1 VAL 22 3HG1 VAL 22 -2.176 2.740 -2.878 149 1HG2 VAL 22 1HG2 VAL 22 -4.547 4.173 -2.109 150 2HG2 VAL 22 2HG2 VAL 22 -5.238 2.861 -1.152 151 3HG2 VAL 22 3HG2 VAL 22 -4.352 2.501 -2.635 152 H CYS 23 H CYS 23 -0.965 0.587 -0.812 153 HA CYS 23 HA CYS 23 0.314 0.686 1.768 154 1HB CYS 23 2HB CYS 23 1.384 -0.310 -0.865 155 2HB CYS 23 1HB CYS 23 1.987 -0.697 0.747 156 H THR 24 H THR 24 1.500 2.237 2.460 157 HA THR 24 HA THR 24 2.803 4.082 0.581 158 HB THR 24 HB THR 24 3.098 5.374 2.881 159 HG1 THR 24 1HG THR 24 2.163 3.818 4.227 160 1HG2 THR 24 1HG2 THR 24 0.397 5.886 2.304 161 2HG2 THR 24 2HG2 THR 24 1.134 5.392 0.779 162 3HG2 THR 24 3HG2 THR 24 1.808 6.746 1.687 163 H LYS 25 H LYS 25 4.967 4.014 0.421 164 HA LYS 25 HA LYS 25 6.428 2.396 2.402 165 1HB LYS 25 2HB LYS 25 6.263 1.686 -0.052 166 2HB LYS 25 1HB LYS 25 7.314 3.045 -0.408 167 1HG LYS 25 2HG LYS 25 9.108 2.076 0.822 168 2HG LYS 25 1HG LYS 25 8.056 0.815 1.470 169 1HD LYS 25 2HD LYS 25 7.836 -0.227 -0.638 170 2HD LYS 25 1HD LYS 25 8.511 1.169 -1.481 171 1HE LYS 25 2HE LYS 25 10.088 -0.463 0.493 172 2HE LYS 25 1HE LYS 25 10.025 -0.850 -1.227 173 1HZ LYS 25 1HZ LYS 25 10.746 1.575 -1.542 174 2HZ LYS 25 2HZ LYS 25 11.907 0.461 -1.019 175 3HZ LYS 25 3HZ LYS 25 11.198 1.523 0.093 176 H ASP 26 H ASP 26 8.990 3.351 1.303 177 HA ASP 26 HA ASP 26 9.401 5.558 3.037 178 1HB ASP 26 2HB ASP 26 11.705 5.525 1.732 179 2HB ASP 26 1HB ASP 26 11.304 4.269 2.896 180 H GLY 27 H GLY 27 10.304 5.419 -0.374 181 1HA GLY 27 2HA GLY 27 8.773 7.636 -1.224 182 2HA GLY 27 1HA GLY 27 10.390 8.176 -0.781 183 H SER 28 H SER 28 9.433 5.103 -2.170 184 HA SER 28 HA SER 28 11.490 5.130 -4.103 185 1HB SER 28 2HB SER 28 8.994 3.414 -4.023 186 2HB SER 28 1HB SER 28 10.480 3.061 -4.906 187 HG SER 28 HG SER 28 10.812 3.560 -2.195 188 H VAL 29 H VAL 29 11.057 4.873 -6.484 189 HA VAL 29 HA VAL 29 10.179 7.113 -7.687 190 HB VAL 29 HB VAL 29 9.908 4.380 -8.920 191 1HG1 VAL 29 1HG1 VAL 29 8.842 6.130 -10.237 192 2HG1 VAL 29 2HG1 VAL 29 10.297 5.541 -11.040 193 3HG1 VAL 29 3HG1 VAL 29 10.324 7.084 -10.188 194 1HG2 VAL 29 1HG2 VAL 29 12.187 5.426 -7.833 195 2HG2 VAL 29 2HG2 VAL 29 12.309 5.937 -9.517 196 3HG2 VAL 29 3HG2 VAL 29 12.133 4.226 -9.125 197 H LEU 30 H LEU 30 8.184 4.250 -7.279 198 HA LEU 30 HA LEU 30 5.822 5.913 -7.827 199 1HB LEU 30 2HB LEU 30 4.644 3.934 -8.549 200 2HB LEU 30 1HB LEU 30 6.137 4.086 -9.451 201 HG LEU 30 HG LEU 30 5.887 2.252 -7.070 202 1HD1 LEU 30 1HD1 LEU 30 5.874 0.752 -9.441 203 2HD1 LEU 30 2HD1 LEU 30 4.641 1.997 -9.639 204 3HD1 LEU 30 3HD1 LEU 30 4.579 0.908 -8.255 205 1HD2 LEU 30 1HD2 LEU 30 8.162 2.830 -7.796 206 2HD2 LEU 30 2HD2 LEU 30 7.775 2.274 -9.426 207 3HD2 LEU 30 3HD2 LEU 30 7.794 1.129 -8.084 208 H ASN 31 H ASN 31 7.220 5.707 -5.360 209 HA ASN 31 HA ASN 31 6.828 5.628 -3.140 210 1HB ASN 31 2HB ASN 31 4.619 6.602 -3.737 211 2HB ASN 31 1HB ASN 31 3.961 4.973 -3.854 212 1HD2 ASN 31 1HD2 ASN 31 4.322 7.587 -1.881 213 2HD2 ASN 31 2HD2 ASN 31 4.054 6.831 -0.351 Start of MODEL 13 1 H CYS 1 H CYS 1 5.976 2.366 -5.043 2 HA CYS 1 HA CYS 1 6.042 -0.291 -4.066 3 1HB CYS 1 2HB CYS 1 5.861 0.980 -1.898 4 2HB CYS 1 1HB CYS 1 4.320 1.616 -2.460 5 H GLY 2 H GLY 2 3.538 2.257 -4.212 6 1HA GLY 2 2HA GLY 2 1.626 2.437 -5.463 7 2HA GLY 2 1HA GLY 2 2.516 1.600 -6.726 8 H GLU 3 H GLU 3 1.939 0.121 -3.636 9 HA GLU 3 HA GLU 3 0.241 -1.866 -4.954 10 1HB GLU 3 2HB GLU 3 2.387 -2.460 -3.655 11 2HB GLU 3 1HB GLU 3 1.459 -2.118 -2.208 12 1HG GLU 3 2HG GLU 3 -0.200 -3.827 -3.008 13 2HG GLU 3 1HG GLU 3 0.962 -4.249 -4.257 14 H THR 4 H THR 4 -1.496 -2.788 -3.586 15 HA THR 4 HA THR 4 -2.655 -0.877 -1.697 16 HB THR 4 HB THR 4 -4.933 -1.501 -2.637 17 HG1 THR 4 1HG THR 4 -3.425 -2.086 -4.984 18 1HG2 THR 4 1HG2 THR 4 -4.621 0.131 -4.636 19 2HG2 THR 4 2HG2 THR 4 -2.973 0.287 -4.030 20 3HG2 THR 4 3HG2 THR 4 -4.336 0.716 -2.998 21 H CYS 5 H CYS 5 -3.939 -1.859 -0.087 22 HA CYS 5 HA CYS 5 -3.253 -4.674 0.270 23 1HB CYS 5 2HB CYS 5 -4.899 -3.175 2.268 24 2HB CYS 5 1HB CYS 5 -3.711 -4.436 2.526 25 H LEU 6 H LEU 6 -4.795 -4.647 -1.781 26 HA LEU 6 HA LEU 6 -7.565 -4.618 -1.464 27 1HB LEU 6 2HB LEU 6 -6.405 -4.674 -3.638 28 2HB LEU 6 1HB LEU 6 -5.924 -6.331 -3.330 29 HG LEU 6 HG LEU 6 -8.322 -6.986 -3.310 30 1HD1 LEU 6 1HD1 LEU 6 -9.800 -5.353 -2.968 31 2HD1 LEU 6 2HD1 LEU 6 -9.579 -4.949 -4.671 32 3HD1 LEU 6 3HD1 LEU 6 -8.650 -4.100 -3.435 33 1HD2 LEU 6 1HD2 LEU 6 -8.595 -6.953 -5.684 34 2HD2 LEU 6 2HD2 LEU 6 -6.873 -7.116 -5.337 35 3HD2 LEU 6 3HD2 LEU 6 -7.526 -5.558 -5.840 36 H LEU 7 H LEU 7 -5.243 -7.201 -0.932 37 HA LEU 7 HA LEU 7 -7.274 -9.147 -0.321 38 1HB LEU 7 2HB LEU 7 -4.269 -9.182 -0.062 39 2HB LEU 7 1HB LEU 7 -5.284 -10.524 0.423 40 HG LEU 7 HG LEU 7 -4.438 -11.070 -1.706 41 1HD1 LEU 7 1HD1 LEU 7 -6.831 -11.530 -1.378 42 2HD1 LEU 7 2HD1 LEU 7 -6.409 -11.282 -3.073 43 3HD1 LEU 7 3HD1 LEU 7 -7.211 -9.999 -2.167 44 1HD2 LEU 7 1HD2 LEU 7 -4.938 -8.219 -2.323 45 2HD2 LEU 7 2HD2 LEU 7 -5.113 -9.378 -3.642 46 3HD2 LEU 7 3HD2 LEU 7 -3.585 -9.259 -2.770 47 H GLY 8 H GLY 8 -5.773 -6.621 1.322 48 1HA GLY 8 2HA GLY 8 -6.952 -6.264 3.538 49 2HA GLY 8 1HA GLY 8 -6.337 -7.863 3.937 50 H THR 9 H THR 9 -3.800 -7.524 2.628 51 HA THR 9 HA THR 9 -2.538 -5.264 3.929 52 HB THR 9 HB THR 9 -1.628 -8.071 4.636 53 HG1 THR 9 1HG THR 9 -3.583 -6.477 5.737 54 1HG2 THR 9 1HG2 THR 9 0.203 -7.071 5.422 55 2HG2 THR 9 2HG2 THR 9 -0.796 -6.091 6.495 56 3HG2 THR 9 3HG2 THR 9 -0.406 -5.508 4.877 57 H CYS 10 H CYS 10 -0.421 -4.886 3.170 58 HA CYS 10 HA CYS 10 0.032 -5.467 0.465 59 1HB CYS 10 2HB CYS 10 2.166 -4.558 2.380 60 2HB CYS 10 1HB CYS 10 2.005 -4.191 0.665 61 H TYR 11 H TYR 11 1.456 -6.727 -0.587 62 HA TYR 11 HA TYR 11 2.398 -9.082 0.857 63 1HB TYR 11 2HB TYR 11 2.121 -8.402 -2.065 64 2HB TYR 11 1HB TYR 11 3.039 -9.806 -1.536 65 HD1 TYR 11 1HD TYR 11 -0.257 -8.334 -0.514 66 HD2 TYR 11 2HD TYR 11 1.870 -11.744 -1.910 67 HE1 TYR 11 1HE TYR 11 -2.326 -9.660 -0.411 68 HE2 TYR 11 2HE TYR 11 -0.192 -13.077 -1.812 69 HH TYR 11 HH TYR 11 -2.481 -12.820 -0.320 70 H THR 12 H THR 12 3.584 -6.211 -0.726 71 HA THR 12 HA THR 12 6.333 -7.123 -0.703 72 HB THR 12 HB THR 12 5.479 -4.285 -1.163 73 HG1 THR 12 1HG THR 12 4.249 -5.314 -2.662 74 1HG2 THR 12 1HG2 THR 12 7.953 -5.427 -1.067 75 2HG2 THR 12 2HG2 THR 12 7.559 -3.952 -1.951 76 3HG2 THR 12 3HG2 THR 12 7.588 -5.502 -2.791 77 H THR 13 H THR 13 7.955 -6.342 0.563 78 HA THR 13 HA THR 13 7.221 -5.605 3.234 79 HB THR 13 HB THR 13 9.808 -5.603 3.487 80 HG1 THR 13 1HG THR 13 10.586 -7.138 1.713 81 1HG2 THR 13 1HG2 THR 13 9.817 -8.097 3.545 82 2HG2 THR 13 2HG2 THR 13 8.227 -8.077 2.783 83 3HG2 THR 13 3HG2 THR 13 8.445 -7.373 4.385 84 H GLY 14 H GLY 14 7.728 -3.738 4.331 85 1HA GLY 14 2HA GLY 14 8.652 -1.600 4.602 86 2HA GLY 14 1HA GLY 14 9.038 -1.558 2.892 87 H CYS 15 H CYS 15 6.210 -2.547 2.445 88 HA CYS 15 HA CYS 15 5.035 0.106 2.308 89 1HB CYS 15 2HB CYS 15 4.013 -2.530 1.224 90 2HB CYS 15 1HB CYS 15 3.334 -0.942 0.880 91 H THR 16 H THR 16 3.364 0.802 3.515 92 HA THR 16 HA THR 16 2.235 -1.087 5.471 93 HB THR 16 HB THR 16 1.774 0.899 6.895 94 HG1 THR 16 1HG THR 16 3.419 2.310 5.033 95 1HG2 THR 16 1HG2 THR 16 4.603 0.282 6.092 96 2HG2 THR 16 2HG2 THR 16 3.716 -0.255 7.520 97 3HG2 THR 16 3HG2 THR 16 4.239 1.424 7.387 98 H CYS 17 H CYS 17 -0.051 -0.722 6.021 99 HA CYS 17 HA CYS 17 -1.497 -0.008 3.620 100 1HB CYS 17 2HB CYS 17 -2.331 -1.328 6.200 101 2HB CYS 17 1HB CYS 17 -3.491 -0.868 4.957 102 H ASN 18 H ASN 18 -2.108 1.928 3.283 103 HA ASN 18 HA ASN 18 -2.514 3.869 5.396 104 1HB ASN 18 2HB ASN 18 -1.425 4.871 3.592 105 2HB ASN 18 1HB ASN 18 -2.330 3.944 2.402 106 1HD2 ASN 18 1HD2 ASN 18 -3.727 5.046 1.288 107 2HD2 ASN 18 2HD2 ASN 18 -4.519 6.501 1.779 108 H LYS 19 H LYS 19 -4.496 4.930 5.719 109 HA LYS 19 HA LYS 19 -6.732 3.520 6.119 110 1HB LYS 19 2HB LYS 19 -8.017 5.631 6.062 111 2HB LYS 19 1HB LYS 19 -6.503 5.769 6.944 112 1HG LYS 19 2HG LYS 19 -5.480 6.962 5.158 113 2HG LYS 19 1HG LYS 19 -6.836 6.630 4.082 114 1HD LYS 19 2HD LYS 19 -7.087 8.871 4.790 115 2HD LYS 19 1HD LYS 19 -8.276 7.934 5.693 116 1HE LYS 19 2HE LYS 19 -5.567 8.600 6.816 117 2HE LYS 19 1HE LYS 19 -6.941 9.691 6.975 118 1HZ LYS 19 1HZ LYS 19 -8.085 7.552 7.900 119 2HZ LYS 19 2HZ LYS 19 -7.100 8.498 8.899 120 3HZ LYS 19 3HZ LYS 19 -6.493 7.074 8.220 121 H TYR 20 H TYR 20 -5.965 5.047 3.016 122 HA TYR 20 HA TYR 20 -8.512 4.307 1.875 123 1HB TYR 20 2HB TYR 20 -7.041 6.328 1.230 124 2HB TYR 20 1HB TYR 20 -6.094 5.169 0.303 125 HD1 TYR 20 1HD TYR 20 -6.512 5.521 -1.945 126 HD2 TYR 20 2HD TYR 20 -9.777 5.561 0.783 127 HE1 TYR 20 1HE TYR 20 -8.077 5.757 -3.829 128 HE2 TYR 20 2HE TYR 20 -11.349 5.796 -1.090 129 HH TYR 20 HH TYR 20 -10.708 5.103 -4.127 130 H ARG 21 H ARG 21 -6.603 2.314 2.981 131 HA ARG 21 HA ARG 21 -5.833 0.240 2.636 132 1HB ARG 21 2HB ARG 21 -8.275 0.022 1.916 133 2HB ARG 21 1HB ARG 21 -7.700 0.128 0.259 134 1HG ARG 21 2HG ARG 21 -6.336 -1.873 0.614 135 2HG ARG 21 1HG ARG 21 -6.946 -1.984 2.265 136 1HD ARG 21 2HD ARG 21 -8.629 -2.108 -0.236 137 2HD ARG 21 1HD ARG 21 -8.120 -3.498 0.720 138 HE ARG 21 HE ARG 21 -9.514 -1.572 2.296 139 1HH1 ARG 21 1HH1 ARG 21 -9.930 -4.213 0.044 140 2HH1 ARG 21 2HH1 ARG 21 -11.541 -4.581 0.561 141 1HH2 ARG 21 1HH2 ARG 21 -11.649 -2.046 2.993 142 2HH2 ARG 21 2HH2 ARG 21 -12.524 -3.340 2.246 143 H VAL 22 H VAL 22 -4.342 2.271 1.618 144 HA VAL 22 HA VAL 22 -3.238 1.048 -0.854 145 HB VAL 22 HB VAL 22 -3.050 3.944 0.012 146 1HG1 VAL 22 1HG1 VAL 22 -1.087 2.851 -1.292 147 2HG1 VAL 22 2HG1 VAL 22 -1.728 4.402 -1.832 148 3HG1 VAL 22 3HG1 VAL 22 -2.193 2.918 -2.664 149 1HG2 VAL 22 1HG2 VAL 22 -4.481 2.764 -2.363 150 2HG2 VAL 22 2HG2 VAL 22 -4.487 4.447 -1.839 151 3HG2 VAL 22 3HG2 VAL 22 -5.268 3.214 -0.851 152 H CYS 23 H CYS 23 -1.148 0.446 -0.905 153 HA CYS 23 HA CYS 23 0.316 0.406 1.581 154 1HB CYS 23 2HB CYS 23 1.041 -0.568 -1.186 155 2HB CYS 23 1HB CYS 23 1.956 -0.911 0.274 156 H THR 24 H THR 24 1.665 1.862 2.223 157 HA THR 24 HA THR 24 3.138 3.506 0.282 158 HB THR 24 HB THR 24 2.873 5.411 1.979 159 HG1 THR 24 1HG THR 24 1.962 4.054 3.651 160 1HG2 THR 24 1HG2 THR 24 1.687 5.964 0.131 161 2HG2 THR 24 2HG2 THR 24 0.304 5.629 1.174 162 3HG2 THR 24 3HG2 THR 24 0.882 4.397 0.050 163 H LYS 25 H LYS 25 5.264 3.907 0.838 164 HA LYS 25 HA LYS 25 6.263 2.400 3.120 165 1HB LYS 25 2HB LYS 25 7.636 3.701 0.773 166 2HB LYS 25 1HB LYS 25 8.525 3.010 2.126 167 1HG LYS 25 2HG LYS 25 7.442 0.838 1.684 168 2HG LYS 25 1HG LYS 25 6.655 1.550 0.274 169 1HD LYS 25 2HD LYS 25 8.778 1.955 -0.774 170 2HD LYS 25 1HD LYS 25 9.641 1.441 0.679 171 1HE LYS 25 2HE LYS 25 8.880 -0.811 0.414 172 2HE LYS 25 1HE LYS 25 7.794 -0.345 -0.895 173 1HZ LYS 25 1HZ LYS 25 9.642 -1.273 -1.938 174 2HZ LYS 25 2HZ LYS 25 10.745 -0.483 -0.930 175 3HZ LYS 25 3HZ LYS 25 9.884 0.396 -2.095 176 H ASP 26 H ASP 26 7.982 5.189 1.990 177 HA ASP 26 HA ASP 26 8.438 6.262 4.534 178 1HB ASP 26 2HB ASP 26 8.453 7.840 1.953 179 2HB ASP 26 1HB ASP 26 9.413 8.135 3.399 180 H GLY 27 H GLY 27 5.999 6.905 2.129 181 1HA GLY 27 2HA GLY 27 3.977 7.727 3.789 182 2HA GLY 27 1HA GLY 27 4.860 9.197 3.389 183 H SER 28 H SER 28 5.652 8.585 0.830 184 HA SER 28 HA SER 28 3.245 9.124 -0.633 185 1HB SER 28 2HB SER 28 6.045 8.668 -1.688 186 2HB SER 28 1HB SER 28 4.717 9.475 -2.523 187 HG SER 28 HG SER 28 6.513 10.632 -1.081 188 H VAL 29 H VAL 29 2.427 7.869 -2.371 189 HA VAL 29 HA VAL 29 2.355 5.083 -1.912 190 HB VAL 29 HB VAL 29 1.514 6.511 -4.439 191 1HG1 VAL 29 1HG1 VAL 29 1.648 3.914 -4.235 192 2HG1 VAL 29 2HG1 VAL 29 0.238 4.673 -4.974 193 3HG1 VAL 29 3HG1 VAL 29 0.161 4.106 -3.306 194 1HG2 VAL 29 1HG2 VAL 29 0.566 6.993 -1.866 195 2HG2 VAL 29 2HG2 VAL 29 -0.635 5.932 -2.604 196 3HG2 VAL 29 3HG2 VAL 29 -0.202 7.453 -3.385 197 H LEU 30 H LEU 30 4.381 7.106 -3.726 198 HA LEU 30 HA LEU 30 5.368 5.452 -5.734 199 1HB LEU 30 2HB LEU 30 5.796 7.892 -5.496 200 2HB LEU 30 1HB LEU 30 6.886 7.543 -4.169 201 HG LEU 30 HG LEU 30 8.322 6.255 -5.738 202 1HD1 LEU 30 1HD1 LEU 30 7.677 7.160 -8.223 203 2HD1 LEU 30 2HD1 LEU 30 6.087 6.833 -7.534 204 3HD1 LEU 30 3HD1 LEU 30 7.298 5.554 -7.601 205 1HD2 LEU 30 1HD2 LEU 30 9.337 8.168 -6.748 206 2HD2 LEU 30 2HD2 LEU 30 8.691 8.661 -5.182 207 3HD2 LEU 30 3HD2 LEU 30 7.829 9.079 -6.663 208 H ASN 31 H ASN 31 7.329 4.267 -5.875 209 HA ASN 31 HA ASN 31 8.914 2.766 -5.254 210 1HB ASN 31 2HB ASN 31 9.456 4.691 -3.546 211 2HB ASN 31 1HB ASN 31 8.744 3.593 -2.372 212 1HD2 ASN 31 1HD2 ASN 31 11.562 4.615 -3.484 213 2HD2 ASN 31 2HD2 ASN 31 12.534 3.203 -3.273 Start of MODEL 14 1 H CYS 1 H CYS 1 5.596 2.636 -3.918 2 HA CYS 1 HA CYS 1 5.060 -0.019 -2.913 3 1HB CYS 1 2HB CYS 1 4.717 2.450 -1.234 4 2HB CYS 1 1HB CYS 1 3.614 1.095 -1.037 5 H GLY 2 H GLY 2 4.479 1.185 -5.317 6 1HA GLY 2 2HA GLY 2 1.866 2.333 -5.391 7 2HA GLY 2 1HA GLY 2 2.777 1.731 -6.769 8 H GLU 3 H GLU 3 1.012 0.569 -3.930 9 HA GLU 3 HA GLU 3 -0.508 -1.282 -5.546 10 1HB GLU 3 2HB GLU 3 1.477 -2.616 -5.131 11 2HB GLU 3 1HB GLU 3 1.438 -2.223 -3.423 12 1HG GLU 3 2HG GLU 3 0.690 -4.490 -3.816 13 2HG GLU 3 1HG GLU 3 -0.611 -3.507 -3.157 14 H THR 4 H THR 4 -2.193 -2.321 -4.244 15 HA THR 4 HA THR 4 -2.909 -0.692 -1.892 16 HB THR 4 HB THR 4 -5.296 -1.294 -2.494 17 HG1 THR 4 1HG THR 4 -3.905 -2.376 -4.687 18 1HG2 THR 4 1HG2 THR 4 -5.208 0.325 -4.580 19 2HG2 THR 4 2HG2 THR 4 -3.539 0.538 -4.053 20 3HG2 THR 4 3HG2 THR 4 -4.866 0.913 -2.952 21 H CYS 5 H CYS 5 -4.108 -1.802 -0.201 22 HA CYS 5 HA CYS 5 -3.142 -4.536 0.075 23 1HB CYS 5 2HB CYS 5 -4.921 -3.224 2.104 24 2HB CYS 5 1HB CYS 5 -3.651 -4.410 2.342 25 H LEU 6 H LEU 6 -4.654 -4.751 -1.933 26 HA LEU 6 HA LEU 6 -7.414 -4.932 -1.719 27 1HB LEU 6 2HB LEU 6 -5.529 -6.643 -3.343 28 2HB LEU 6 1HB LEU 6 -7.267 -6.603 -3.565 29 HG LEU 6 HG LEU 6 -5.435 -4.231 -3.934 30 1HD1 LEU 6 1HD1 LEU 6 -6.639 -6.165 -5.898 31 2HD1 LEU 6 2HD1 LEU 6 -4.937 -5.766 -5.666 32 3HD1 LEU 6 3HD1 LEU 6 -6.035 -4.573 -6.358 33 1HD2 LEU 6 1HD2 LEU 6 -8.160 -4.339 -5.076 34 2HD2 LEU 6 2HD2 LEU 6 -7.255 -2.973 -4.420 35 3HD2 LEU 6 3HD2 LEU 6 -8.041 -4.117 -3.330 36 H LEU 7 H LEU 7 -4.949 -7.305 -0.893 37 HA LEU 7 HA LEU 7 -6.955 -9.221 -0.043 38 1HB LEU 7 2HB LEU 7 -3.941 -9.355 -0.049 39 2HB LEU 7 1HB LEU 7 -4.981 -10.650 0.510 40 HG LEU 7 HG LEU 7 -6.014 -10.518 -1.878 41 1HD1 LEU 7 1HD1 LEU 7 -5.054 -9.235 -3.411 42 2HD1 LEU 7 2HD1 LEU 7 -3.451 -9.852 -3.009 43 3HD1 LEU 7 3HD1 LEU 7 -4.120 -8.489 -2.112 44 1HD2 LEU 7 1HD2 LEU 7 -3.790 -11.839 -2.629 45 2HD2 LEU 7 2HD2 LEU 7 -5.036 -12.522 -1.585 46 3HD2 LEU 7 3HD2 LEU 7 -3.577 -11.827 -0.878 47 H GLY 8 H GLY 8 -6.358 -6.554 1.363 48 1HA GLY 8 2HA GLY 8 -6.952 -6.149 3.622 49 2HA GLY 8 1HA GLY 8 -6.333 -7.737 4.045 50 H THR 9 H THR 9 -3.816 -7.473 2.698 51 HA THR 9 HA THR 9 -2.538 -5.162 3.892 52 HB THR 9 HB THR 9 -1.642 -7.945 4.699 53 HG1 THR 9 1HG THR 9 -3.574 -6.300 5.741 54 1HG2 THR 9 1HG2 THR 9 0.257 -6.743 5.038 55 2HG2 THR 9 2HG2 THR 9 -0.574 -6.284 6.524 56 3HG2 THR 9 3HG2 THR 9 -0.603 -5.205 5.128 57 H CYS 10 H CYS 10 -0.484 -4.750 3.065 58 HA CYS 10 HA CYS 10 -0.014 -5.572 0.405 59 1HB CYS 10 2HB CYS 10 2.033 -4.287 2.205 60 2HB CYS 10 1HB CYS 10 1.870 -4.136 0.459 61 H TYR 11 H TYR 11 1.346 -7.058 -0.452 62 HA TYR 11 HA TYR 11 2.491 -9.018 1.344 63 1HB TYR 11 2HB TYR 11 2.087 -8.864 -1.625 64 2HB TYR 11 1HB TYR 11 3.229 -10.026 -0.960 65 HD1 TYR 11 1HD TYR 11 -0.146 -8.899 0.207 66 HD2 TYR 11 2HD TYR 11 2.295 -12.130 -1.103 67 HE1 TYR 11 1HE TYR 11 -1.985 -10.466 0.662 68 HE2 TYR 11 2HE TYR 11 0.461 -13.704 -0.654 69 HH TYR 11 HH TYR 11 -2.277 -12.870 1.150 70 H THR 12 H THR 12 3.498 -6.335 -0.582 71 HA THR 12 HA THR 12 6.259 -6.980 -0.756 72 HB THR 12 HB THR 12 5.381 -4.147 -0.736 73 HG1 THR 12 1HG THR 12 4.730 -4.718 -3.076 74 1HG2 THR 12 1HG2 THR 12 6.900 -5.487 -2.926 75 2HG2 THR 12 2HG2 THR 12 7.700 -5.210 -1.380 76 3HG2 THR 12 3HG2 THR 12 7.051 -3.849 -2.295 77 H THR 13 H THR 13 7.918 -6.414 0.538 78 HA THR 13 HA THR 13 7.333 -5.792 3.280 79 HB THR 13 HB THR 13 9.867 -5.940 3.503 80 HG1 THR 13 1HG THR 13 10.164 -5.491 1.173 81 1HG2 THR 13 1HG2 THR 13 9.111 -7.954 4.160 82 2HG2 THR 13 2HG2 THR 13 9.639 -8.509 2.571 83 3HG2 THR 13 3HG2 THR 13 7.955 -8.056 2.833 84 H GLY 14 H GLY 14 7.609 -3.902 4.317 85 1HA GLY 14 2HA GLY 14 8.664 -1.803 4.668 86 2HA GLY 14 1HA GLY 14 9.065 -1.741 2.962 87 H CYS 15 H CYS 15 6.219 -2.716 2.520 88 HA CYS 15 HA CYS 15 5.071 -0.051 2.363 89 1HB CYS 15 2HB CYS 15 4.071 -2.696 1.288 90 2HB CYS 15 1HB CYS 15 3.306 -1.136 1.002 91 H THR 16 H THR 16 3.384 0.666 3.500 92 HA THR 16 HA THR 16 2.220 -1.131 5.520 93 HB THR 16 HB THR 16 1.787 0.936 6.854 94 HG1 THR 16 1HG THR 16 3.612 2.272 5.135 95 1HG2 THR 16 1HG2 THR 16 3.700 -0.323 7.489 96 2HG2 THR 16 2HG2 THR 16 4.205 1.366 7.452 97 3HG2 THR 16 3HG2 THR 16 4.639 0.286 6.126 98 H CYS 17 H CYS 17 -0.067 -0.746 5.999 99 HA CYS 17 HA CYS 17 -1.451 0.016 3.571 100 1HB CYS 17 2HB CYS 17 -2.342 -1.374 6.093 101 2HB CYS 17 1HB CYS 17 -3.486 -0.846 4.862 102 H ASN 18 H ASN 18 -2.066 1.951 3.255 103 HA ASN 18 HA ASN 18 -2.459 3.874 5.383 104 1HB ASN 18 2HB ASN 18 -1.392 4.886 3.575 105 2HB ASN 18 1HB ASN 18 -2.308 3.967 2.388 106 1HD2 ASN 18 1HD2 ASN 18 -3.740 5.058 1.306 107 2HD2 ASN 18 2HD2 ASN 18 -4.516 6.519 1.806 108 H LYS 19 H LYS 19 -4.432 4.949 5.724 109 HA LYS 19 HA LYS 19 -6.667 3.570 6.180 110 1HB LYS 19 2HB LYS 19 -7.930 5.673 6.143 111 2HB LYS 19 1HB LYS 19 -6.365 5.857 6.924 112 1HG LYS 19 2HG LYS 19 -5.463 6.941 4.975 113 2HG LYS 19 1HG LYS 19 -6.948 6.636 4.074 114 1HD LYS 19 2HD LYS 19 -6.955 8.920 4.805 115 2HD LYS 19 1HD LYS 19 -8.165 8.033 5.730 116 1HE LYS 19 2HE LYS 19 -6.622 7.856 7.608 117 2HE LYS 19 1HE LYS 19 -5.382 8.699 6.682 118 1HZ LYS 19 1HZ LYS 19 -7.151 10.544 6.521 119 2HZ LYS 19 2HZ LYS 19 -6.292 10.366 7.966 120 3HZ LYS 19 3HZ LYS 19 -7.870 9.768 7.841 121 H TYR 20 H TYR 20 -5.962 5.058 3.044 122 HA TYR 20 HA TYR 20 -8.523 4.285 1.958 123 1HB TYR 20 2HB TYR 20 -7.078 6.316 1.278 124 2HB TYR 20 1HB TYR 20 -6.156 5.161 0.322 125 HD1 TYR 20 1HD TYR 20 -6.649 5.494 -1.913 126 HD2 TYR 20 2HD TYR 20 -9.823 5.563 0.919 127 HE1 TYR 20 1HE TYR 20 -8.272 5.729 -3.745 128 HE2 TYR 20 2HE TYR 20 -11.454 5.797 -0.903 129 HH TYR 20 HH TYR 20 -10.494 6.449 -4.156 130 H ARG 21 H ARG 21 -6.578 2.306 3.026 131 HA ARG 21 HA ARG 21 -5.799 0.237 2.650 132 1HB ARG 21 2HB ARG 21 -8.244 -0.020 1.995 133 2HB ARG 21 1HB ARG 21 -7.735 0.155 0.323 134 1HG ARG 21 2HG ARG 21 -6.296 -1.838 0.596 135 2HG ARG 21 1HG ARG 21 -6.933 -2.032 2.230 136 1HD ARG 21 2HD ARG 21 -8.089 -3.487 0.645 137 2HD ARG 21 1HD ARG 21 -9.184 -2.287 1.330 138 HE ARG 21 HE ARG 21 -8.229 -1.195 -1.018 139 1HH1 ARG 21 1HH1 ARG 21 -9.998 -4.070 -0.108 140 2HH1 ARG 21 2HH1 ARG 21 -10.914 -4.135 -1.576 141 1HH2 ARG 21 1HH2 ARG 21 -9.435 -1.266 -2.966 142 2HH2 ARG 21 2HH2 ARG 21 -10.592 -2.534 -3.209 143 H VAL 22 H VAL 22 -4.312 2.257 1.654 144 HA VAL 22 HA VAL 22 -3.255 1.076 -0.863 145 HB VAL 22 HB VAL 22 -3.094 3.974 0.004 146 1HG1 VAL 22 1HG1 VAL 22 -1.271 2.654 -1.545 147 2HG1 VAL 22 2HG1 VAL 22 -1.596 4.388 -1.611 148 3HG1 VAL 22 3HG1 VAL 22 -2.385 3.297 -2.753 149 1HG2 VAL 22 1HG2 VAL 22 -4.567 2.770 -2.332 150 2HG2 VAL 22 2HG2 VAL 22 -4.575 4.458 -1.822 151 3HG2 VAL 22 3HG2 VAL 22 -5.320 3.225 -0.804 152 H CYS 23 H CYS 23 -1.135 0.517 -0.950 153 HA CYS 23 HA CYS 23 0.344 0.391 1.503 154 1HB CYS 23 2HB CYS 23 1.240 -0.215 -1.329 155 2HB CYS 23 1HB CYS 23 2.051 -0.721 0.151 156 H THR 24 H THR 24 1.812 1.718 2.266 157 HA THR 24 HA THR 24 3.086 3.690 0.506 158 HB THR 24 HB THR 24 2.869 5.314 2.508 159 HG1 THR 24 1HG THR 24 1.922 3.571 3.866 160 1HG2 THR 24 1HG2 THR 24 0.749 6.177 1.693 161 2HG2 THR 24 2HG2 THR 24 0.388 4.631 0.926 162 3HG2 THR 24 3HG2 THR 24 1.729 5.614 0.340 163 H LYS 25 H LYS 25 5.186 4.332 1.199 164 HA LYS 25 HA LYS 25 6.562 2.368 2.783 165 1HB LYS 25 2HB LYS 25 8.555 3.887 2.401 166 2HB LYS 25 1HB LYS 25 7.776 3.301 0.939 167 1HG LYS 25 2HG LYS 25 6.532 5.483 0.849 168 2HG LYS 25 1HG LYS 25 7.572 6.044 2.157 169 1HD LYS 25 2HD LYS 25 8.765 4.913 -0.346 170 2HD LYS 25 1HD LYS 25 8.196 6.580 -0.311 171 1HE LYS 25 2HE LYS 25 10.200 5.405 1.611 172 2HE LYS 25 1HE LYS 25 10.616 6.341 0.176 173 1HZ LYS 25 1HZ LYS 25 8.812 7.908 1.524 174 2HZ LYS 25 2HZ LYS 25 10.489 8.114 1.497 175 3HZ LYS 25 3HZ LYS 25 9.769 7.244 2.760 176 H ASP 26 H ASP 26 8.336 4.695 3.857 177 HA ASP 26 HA ASP 26 7.375 4.724 6.494 178 1HB ASP 26 2HB ASP 26 8.940 6.827 6.626 179 2HB ASP 26 1HB ASP 26 9.641 5.239 6.332 180 H GLY 27 H GLY 27 6.857 6.887 3.798 181 1HA GLY 27 2HA GLY 27 4.426 7.889 4.811 182 2HA GLY 27 1HA GLY 27 5.702 9.064 5.102 183 H SER 28 H SER 28 5.182 6.862 2.361 184 HA SER 28 HA SER 28 4.381 8.994 0.595 185 1HB SER 28 2HB SER 28 6.920 7.639 -0.247 186 2HB SER 28 1HB SER 28 6.281 9.208 -0.730 187 HG SER 28 HG SER 28 6.722 9.746 1.621 188 H VAL 29 H VAL 29 3.688 8.189 -1.469 189 HA VAL 29 HA VAL 29 2.857 5.430 -1.408 190 HB VAL 29 HB VAL 29 2.547 7.365 -3.711 191 1HG1 VAL 29 1HG1 VAL 29 1.077 5.910 -4.633 192 2HG1 VAL 29 2HG1 VAL 29 0.504 5.326 -3.070 193 3HG1 VAL 29 3HG1 VAL 29 2.035 4.740 -3.724 194 1HG2 VAL 29 1HG2 VAL 29 1.657 8.012 -1.295 195 2HG2 VAL 29 2HG2 VAL 29 0.333 6.951 -1.779 196 3HG2 VAL 29 3HG2 VAL 29 0.735 8.363 -2.757 197 H LEU 30 H LEU 30 5.521 7.137 -2.470 198 HA LEU 30 HA LEU 30 6.360 5.869 -4.793 199 1HB LEU 30 2HB LEU 30 7.391 7.890 -3.821 200 2HB LEU 30 1HB LEU 30 8.059 6.916 -2.527 201 HG LEU 30 HG LEU 30 9.387 5.660 -4.217 202 1HD1 LEU 30 1HD1 LEU 30 7.679 6.546 -6.058 203 2HD1 LEU 30 2HD1 LEU 30 9.336 6.083 -6.444 204 3HD1 LEU 30 3HD1 LEU 30 8.923 7.784 -6.225 205 1HD2 LEU 30 1HD2 LEU 30 9.753 8.646 -4.065 206 2HD2 LEU 30 2HD2 LEU 30 10.966 7.528 -4.690 207 3HD2 LEU 30 3HD2 LEU 30 10.457 7.424 -3.005 208 H ASN 31 H ASN 31 7.583 4.111 -5.235 209 HA ASN 31 HA ASN 31 8.175 1.960 -5.175 210 1HB ASN 31 2HB ASN 31 9.833 1.272 -3.528 211 2HB ASN 31 1HB ASN 31 10.177 2.870 -4.160 212 1HD2 ASN 31 1HD2 ASN 31 10.909 4.205 -2.708 213 2HD2 ASN 31 2HD2 ASN 31 10.520 4.209 -1.027 Start of MODEL 15 1 H CYS 1 H CYS 1 3.559 3.384 -4.078 2 HA CYS 1 HA CYS 1 5.709 1.998 -2.891 3 1HB CYS 1 2HB CYS 1 4.363 1.599 -0.970 4 2HB CYS 1 1HB CYS 1 2.929 1.292 -1.939 5 H GLY 2 H GLY 2 2.539 1.641 -4.437 6 1HA GLY 2 2HA GLY 2 2.848 1.139 -6.910 7 2HA GLY 2 1HA GLY 2 3.749 -0.256 -6.334 8 H GLU 3 H GLU 3 2.269 -1.222 -4.323 9 HA GLU 3 HA GLU 3 -0.140 -2.119 -5.716 10 1HB GLU 3 2HB GLU 3 -0.100 -4.026 -4.253 11 2HB GLU 3 1HB GLU 3 1.506 -3.798 -4.931 12 1HG GLU 3 2HG GLU 3 2.151 -2.637 -2.847 13 2HG GLU 3 1HG GLU 3 0.582 -3.044 -2.175 14 H THR 4 H THR 4 -1.531 -3.097 -3.720 15 HA THR 4 HA THR 4 -2.233 -1.028 -1.801 16 HB THR 4 HB THR 4 -4.712 -1.420 -2.513 17 HG1 THR 4 1HG THR 4 -3.520 -1.735 -5.066 18 1HG2 THR 4 1HG2 THR 4 -4.076 0.777 -2.700 19 2HG2 THR 4 2HG2 THR 4 -4.347 0.388 -4.399 20 3HG2 THR 4 3HG2 THR 4 -2.707 0.407 -3.748 21 H CYS 5 H CYS 5 -3.671 -1.871 -0.130 22 HA CYS 5 HA CYS 5 -3.179 -4.704 0.263 23 1HB CYS 5 2HB CYS 5 -4.730 -3.103 2.238 24 2HB CYS 5 1HB CYS 5 -3.529 -4.353 2.504 25 H LEU 6 H LEU 6 -4.725 -4.671 -1.774 26 HA LEU 6 HA LEU 6 -7.512 -4.522 -1.327 27 1HB LEU 6 2HB LEU 6 -5.976 -6.138 -3.367 28 2HB LEU 6 1HB LEU 6 -7.709 -5.870 -3.403 29 HG LEU 6 HG LEU 6 -5.595 -3.729 -3.667 30 1HD1 LEU 6 1HD1 LEU 6 -7.537 -4.580 -5.782 31 2HD1 LEU 6 2HD1 LEU 6 -5.989 -5.404 -5.581 32 3HD1 LEU 6 3HD1 LEU 6 -6.028 -3.680 -5.949 33 1HD2 LEU 6 1HD2 LEU 6 -7.183 -2.249 -3.214 34 2HD2 LEU 6 2HD2 LEU 6 -8.324 -3.558 -2.902 35 3HD2 LEU 6 3HD2 LEU 6 -8.167 -2.898 -4.529 36 H LEU 7 H LEU 7 -5.152 -7.069 -0.963 37 HA LEU 7 HA LEU 7 -7.043 -9.144 -0.382 38 1HB LEU 7 2HB LEU 7 -4.684 -9.483 -1.229 39 2HB LEU 7 1HB LEU 7 -4.119 -9.017 0.360 40 HG LEU 7 HG LEU 7 -5.369 -10.941 1.325 41 1HD1 LEU 7 1HD1 LEU 7 -6.662 -12.323 0.121 42 2HD1 LEU 7 2HD1 LEU 7 -5.580 -12.292 -1.271 43 3HD1 LEU 7 3HD1 LEU 7 -6.733 -10.980 -1.020 44 1HD2 LEU 7 1HD2 LEU 7 -3.735 -12.419 -0.512 45 2HD2 LEU 7 2HD2 LEU 7 -3.447 -12.042 1.186 46 3HD2 LEU 7 3HD2 LEU 7 -2.937 -10.911 -0.067 47 H GLY 8 H GLY 8 -5.506 -6.590 1.319 48 1HA GLY 8 2HA GLY 8 -6.833 -6.131 3.463 49 2HA GLY 8 1HA GLY 8 -6.264 -7.734 3.921 50 H THR 9 H THR 9 -3.722 -7.381 2.531 51 HA THR 9 HA THR 9 -2.415 -5.189 3.909 52 HB THR 9 HB THR 9 -1.484 -8.030 4.423 53 HG1 THR 9 1HG THR 9 -3.393 -6.489 5.697 54 1HG2 THR 9 1HG2 THR 9 -0.246 -5.500 4.765 55 2HG2 THR 9 2HG2 THR 9 0.351 -7.083 5.261 56 3HG2 THR 9 3HG2 THR 9 -0.632 -6.125 6.369 57 H CYS 10 H CYS 10 -0.310 -4.789 3.097 58 HA CYS 10 HA CYS 10 0.041 -5.188 0.351 59 1HB CYS 10 2HB CYS 10 2.214 -4.490 2.327 60 2HB CYS 10 1HB CYS 10 2.153 -4.082 0.616 61 H TYR 11 H TYR 11 1.377 -6.469 -0.845 62 HA TYR 11 HA TYR 11 2.135 -8.997 0.345 63 1HB TYR 11 2HB TYR 11 2.432 -7.982 -2.497 64 2HB TYR 11 1HB TYR 11 2.763 -9.624 -1.970 65 HD1 TYR 11 1HD TYR 11 1.155 -11.177 -2.485 66 HD2 TYR 11 2HD TYR 11 -0.071 -7.169 -1.743 67 HE1 TYR 11 1HE TYR 11 -1.169 -11.798 -2.984 68 HE2 TYR 11 2HE TYR 11 -2.398 -7.783 -2.234 69 HH TYR 11 HH TYR 11 -3.241 -10.772 -3.675 70 H THR 12 H THR 12 3.560 -6.049 -0.811 71 HA THR 12 HA THR 12 6.276 -7.057 -0.691 72 HB THR 12 HB THR 12 5.666 -4.147 -0.874 73 HG1 THR 12 1HG THR 12 4.164 -5.112 -2.313 74 1HG2 THR 12 1HG2 THR 12 7.990 -5.250 -0.917 75 2HG2 THR 12 2HG2 THR 12 7.622 -4.045 -2.151 76 3HG2 THR 12 3HG2 THR 12 7.560 -5.763 -2.549 77 H THR 13 H THR 13 7.793 -6.539 0.798 78 HA THR 13 HA THR 13 6.832 -5.759 3.411 79 HB THR 13 HB THR 13 9.256 -6.250 4.059 80 HG1 THR 13 1HG THR 13 10.022 -6.043 1.835 81 1HG2 THR 13 1HG2 THR 13 7.725 -8.506 2.756 82 2HG2 THR 13 2HG2 THR 13 7.367 -7.842 4.351 83 3HG2 THR 13 3HG2 THR 13 8.911 -8.641 4.056 84 H GLY 14 H GLY 14 7.159 -3.848 4.364 85 1HA GLY 14 2HA GLY 14 8.634 -1.959 4.780 86 2HA GLY 14 1HA GLY 14 9.031 -1.963 3.070 87 H CYS 15 H CYS 15 6.111 -2.579 2.610 88 HA CYS 15 HA CYS 15 5.264 0.213 2.554 89 1HB CYS 15 2HB CYS 15 4.128 -2.241 1.194 90 2HB CYS 15 1HB CYS 15 3.467 -0.616 1.029 91 H THR 16 H THR 16 3.384 0.962 3.510 92 HA THR 16 HA THR 16 2.158 -0.866 5.464 93 HB THR 16 HB THR 16 1.711 1.210 6.828 94 HG1 THR 16 1HG THR 16 3.602 2.344 5.009 95 1HG2 THR 16 1HG2 THR 16 4.658 0.783 6.403 96 2HG2 THR 16 2HG2 THR 16 3.634 -0.427 7.176 97 3HG2 THR 16 3HG2 THR 16 3.811 1.172 7.899 98 H CYS 17 H CYS 17 -0.090 -0.571 5.878 99 HA CYS 17 HA CYS 17 -1.500 0.324 3.519 100 1HB CYS 17 2HB CYS 17 -2.459 -1.086 6.015 101 2HB CYS 17 1HB CYS 17 -3.478 -0.706 4.631 102 H ASN 18 H ASN 18 -2.056 2.380 3.356 103 HA ASN 18 HA ASN 18 -2.657 3.932 5.745 104 1HB ASN 18 2HB ASN 18 -2.995 5.857 4.212 105 2HB ASN 18 1HB ASN 18 -1.401 5.137 4.047 106 1HD2 ASN 18 1HD2 ASN 18 -4.394 5.827 2.505 107 2HD2 ASN 18 2HD2 ASN 18 -3.955 5.279 0.931 108 H LYS 19 H LYS 19 -4.684 4.994 5.996 109 HA LYS 19 HA LYS 19 -6.833 3.522 6.279 110 1HB LYS 19 2HB LYS 19 -8.236 5.514 6.303 111 2HB LYS 19 1HB LYS 19 -6.705 5.773 7.119 112 1HG LYS 19 2HG LYS 19 -6.832 7.719 5.967 113 2HG LYS 19 1HG LYS 19 -6.029 6.739 4.741 114 1HD LYS 19 2HD LYS 19 -8.085 6.369 3.584 115 2HD LYS 19 1HD LYS 19 -9.020 7.079 4.898 116 1HE LYS 19 2HE LYS 19 -7.002 8.587 3.239 117 2HE LYS 19 1HE LYS 19 -8.733 8.569 2.916 118 1HZ LYS 19 1HZ LYS 19 -7.570 10.418 4.402 119 2HZ LYS 19 2HZ LYS 19 -7.920 9.296 5.619 120 3HZ LYS 19 3HZ LYS 19 -9.166 9.917 4.658 121 H TYR 20 H TYR 20 -6.058 4.850 3.126 122 HA TYR 20 HA TYR 20 -8.626 3.991 2.052 123 1HB TYR 20 2HB TYR 20 -7.342 6.065 1.275 124 2HB TYR 20 1HB TYR 20 -6.249 4.957 0.456 125 HD1 TYR 20 1HD TYR 20 -9.963 4.816 0.773 126 HD2 TYR 20 2HD TYR 20 -6.624 5.312 -1.815 127 HE1 TYR 20 1HE TYR 20 -11.470 4.779 -1.169 128 HE2 TYR 20 2HE TYR 20 -8.122 5.276 -3.764 129 HH TYR 20 HH TYR 20 -10.337 4.470 -4.370 130 H ARG 21 H ARG 21 -6.637 2.176 3.250 131 HA ARG 21 HA ARG 21 -5.606 0.217 3.034 132 1HB ARG 21 2HB ARG 21 -6.831 -1.549 1.993 133 2HB ARG 21 1HB ARG 21 -7.993 -0.439 2.694 134 1HG ARG 21 2HG ARG 21 -8.347 0.523 0.428 135 2HG ARG 21 1HG ARG 21 -7.292 -0.737 -0.218 136 1HD ARG 21 2HD ARG 21 -9.908 -1.110 1.230 137 2HD ARG 21 1HD ARG 21 -9.569 -1.446 -0.467 138 HE ARG 21 HE ARG 21 -7.797 -2.968 1.038 139 1HH1 ARG 21 1HH1 ARG 21 -11.248 -2.751 0.513 140 2HH1 ARG 21 2HH1 ARG 21 -11.539 -4.422 0.871 141 1HH2 ARG 21 1HH2 ARG 21 -8.169 -5.162 1.523 142 2HH2 ARG 21 2HH2 ARG 21 -9.777 -5.802 1.439 143 H VAL 22 H VAL 22 -4.416 2.194 1.713 144 HA VAL 22 HA VAL 22 -3.398 0.900 -0.757 145 HB VAL 22 HB VAL 22 -3.109 3.797 0.097 146 1HG1 VAL 22 1HG1 VAL 22 -2.625 3.208 -2.699 147 2HG1 VAL 22 2HG1 VAL 22 -1.498 2.362 -1.637 148 3HG1 VAL 22 3HG1 VAL 22 -1.644 4.116 -1.549 149 1HG2 VAL 22 1HG2 VAL 22 -5.404 3.212 -0.545 150 2HG2 VAL 22 2HG2 VAL 22 -4.806 2.608 -2.091 151 3HG2 VAL 22 3HG2 VAL 22 -4.654 4.320 -1.696 152 H CYS 23 H CYS 23 -1.064 0.851 -1.055 153 HA CYS 23 HA CYS 23 0.291 0.583 1.528 154 1HB CYS 23 2HB CYS 23 1.092 -0.340 -1.244 155 2HB CYS 23 1HB CYS 23 2.016 -0.636 0.226 156 H THR 24 H THR 24 1.765 1.902 2.197 157 HA THR 24 HA THR 24 3.011 3.789 0.318 158 HB THR 24 HB THR 24 3.071 5.300 2.490 159 HG1 THR 24 1HG THR 24 0.989 3.447 2.956 160 1HG2 THR 24 1HG2 THR 24 1.375 5.125 0.204 161 2HG2 THR 24 2HG2 THR 24 1.852 6.556 1.116 162 3HG2 THR 24 3HG2 THR 24 0.411 5.653 1.582 163 H LYS 25 H LYS 25 5.171 3.755 0.383 164 HA LYS 25 HA LYS 25 6.446 2.091 2.408 165 1HB LYS 25 2HB LYS 25 6.798 2.006 -0.180 166 2HB LYS 25 1HB LYS 25 7.868 3.373 0.093 167 1HG LYS 25 2HG LYS 25 9.245 2.038 1.575 168 2HG LYS 25 1HG LYS 25 8.141 0.671 1.398 169 1HD LYS 25 2HD LYS 25 8.672 0.461 -0.930 170 2HD LYS 25 1HD LYS 25 9.607 1.957 -0.900 171 1HE LYS 25 2HE LYS 25 10.281 -0.532 0.663 172 2HE LYS 25 1HE LYS 25 11.013 -0.082 -0.876 173 1HZ LYS 25 1HZ LYS 25 11.212 2.118 0.846 174 2HZ LYS 25 2HZ LYS 25 12.462 1.153 0.229 175 3HZ LYS 25 3HZ LYS 25 11.738 0.751 1.700 176 H ASP 26 H ASP 26 9.035 3.561 1.857 177 HA ASP 26 HA ASP 26 8.886 5.338 4.095 178 1HB ASP 26 2HB ASP 26 11.324 5.718 3.585 179 2HB ASP 26 1HB ASP 26 10.882 4.035 3.850 180 H GLY 27 H GLY 27 9.553 5.768 0.630 181 1HA GLY 27 2HA GLY 27 8.268 8.323 0.611 182 2HA GLY 27 1HA GLY 27 10.019 8.471 0.551 183 H SER 28 H SER 28 7.980 5.981 -0.899 184 HA SER 28 HA SER 28 9.310 6.261 -3.416 185 1HB SER 28 2HB SER 28 6.789 4.703 -2.805 186 2HB SER 28 1HB SER 28 7.900 4.448 -4.153 187 HG SER 28 HG SER 28 9.392 4.317 -2.032 188 H VAL 29 H VAL 29 8.660 7.321 -5.204 189 HA VAL 29 HA VAL 29 6.908 9.468 -5.047 190 HB VAL 29 HB VAL 29 7.746 8.052 -7.575 191 1HG1 VAL 29 1HG1 VAL 29 5.890 9.794 -7.675 192 2HG1 VAL 29 2HG1 VAL 29 7.277 10.038 -8.737 193 3HG1 VAL 29 3HG1 VAL 29 7.130 10.974 -7.250 194 1HG2 VAL 29 1HG2 VAL 29 9.287 10.383 -7.075 195 2HG2 VAL 29 2HG2 VAL 29 9.830 8.710 -7.191 196 3HG2 VAL 29 3HG2 VAL 29 9.339 9.372 -5.631 197 H LEU 30 H LEU 30 6.363 6.215 -6.129 198 HA LEU 30 HA LEU 30 3.586 6.849 -6.779 199 1HB LEU 30 2HB LEU 30 3.460 4.702 -7.869 200 2HB LEU 30 1HB LEU 30 4.866 5.568 -8.450 201 HG LEU 30 HG LEU 30 5.068 3.454 -6.308 202 1HD1 LEU 30 1HD1 LEU 30 5.943 2.623 -8.933 203 2HD1 LEU 30 2HD1 LEU 30 4.220 2.996 -8.913 204 3HD1 LEU 30 3HD1 LEU 30 4.878 1.807 -7.789 205 1HD2 LEU 30 1HD2 LEU 30 7.391 3.337 -7.045 206 2HD2 LEU 30 2HD2 LEU 30 6.976 4.973 -6.536 207 3HD2 LEU 30 3HD2 LEU 30 7.082 4.584 -8.253 208 H ASN 31 H ASN 31 4.539 6.828 -4.083 209 HA ASN 31 HA ASN 31 3.827 6.249 -2.010 210 1HB ASN 31 2HB ASN 31 1.704 4.725 -3.532 211 2HB ASN 31 1HB ASN 31 1.731 4.881 -1.779 212 1HD2 ASN 31 1HD2 ASN 31 0.390 6.363 -1.070 213 2HD2 ASN 31 2HD2 ASN 31 -0.015 7.842 -1.867 Start of MODEL 16 1 H CYS 1 H CYS 1 2.605 2.655 -2.297 2 HA CYS 1 HA CYS 1 5.167 1.714 -3.305 3 1HB CYS 1 2HB CYS 1 2.931 0.381 -1.787 4 2HB CYS 1 1HB CYS 1 4.277 -0.533 -2.452 5 H GLY 2 H GLY 2 2.412 2.443 -4.801 6 1HA GLY 2 2HA GLY 2 1.479 1.841 -6.812 7 2HA GLY 2 1HA GLY 2 2.941 0.908 -7.107 8 H GLU 3 H GLU 3 0.780 0.433 -4.399 9 HA GLU 3 HA GLU 3 -0.610 -1.782 -5.564 10 1HB GLU 3 2HB GLU 3 1.495 -2.901 -5.094 11 2HB GLU 3 1HB GLU 3 1.495 -2.285 -3.447 12 1HG GLU 3 2HG GLU 3 0.845 -4.611 -3.485 13 2HG GLU 3 1HG GLU 3 -0.500 -3.609 -2.957 14 H THR 4 H THR 4 -2.189 -2.670 -4.150 15 HA THR 4 HA THR 4 -2.875 -0.922 -1.867 16 HB THR 4 HB THR 4 -5.261 -1.479 -2.382 17 HG1 THR 4 1HG THR 4 -3.994 -2.968 -4.349 18 1HG2 THR 4 1HG2 THR 4 -4.967 0.615 -3.177 19 2HG2 THR 4 2HG2 THR 4 -5.071 -0.174 -4.752 20 3HG2 THR 4 3HG2 THR 4 -3.493 0.186 -4.048 21 H CYS 5 H CYS 5 -4.039 -1.996 -0.109 22 HA CYS 5 HA CYS 5 -3.112 -4.749 0.158 23 1HB CYS 5 2HB CYS 5 -4.708 -3.376 2.287 24 2HB CYS 5 1HB CYS 5 -3.435 -4.568 2.446 25 H LEU 6 H LEU 6 -4.768 -4.868 -1.771 26 HA LEU 6 HA LEU 6 -7.517 -5.015 -1.265 27 1HB LEU 6 2HB LEU 6 -6.503 -4.981 -3.518 28 2HB LEU 6 1HB LEU 6 -5.901 -6.606 -3.258 29 HG LEU 6 HG LEU 6 -8.240 -7.416 -3.087 30 1HD1 LEU 6 1HD1 LEU 6 -8.866 -4.546 -3.740 31 2HD1 LEU 6 2HD1 LEU 6 -9.406 -5.485 -2.348 32 3HD1 LEU 6 3HD1 LEU 6 -10.014 -5.865 -3.959 33 1HD2 LEU 6 1HD2 LEU 6 -6.928 -7.397 -5.221 34 2HD2 LEU 6 2HD2 LEU 6 -7.759 -5.899 -5.643 35 3HD2 LEU 6 3HD2 LEU 6 -8.680 -7.387 -5.427 36 H LEU 7 H LEU 7 -4.981 -7.431 -0.988 37 HA LEU 7 HA LEU 7 -6.672 -9.613 -0.320 38 1HB LEU 7 2HB LEU 7 -4.296 -9.760 -1.142 39 2HB LEU 7 1HB LEU 7 -3.775 -9.204 0.433 40 HG LEU 7 HG LEU 7 -4.804 -11.216 1.455 41 1HD1 LEU 7 1HD1 LEU 7 -5.551 -11.718 -1.384 42 2HD1 LEU 7 2HD1 LEU 7 -6.480 -11.980 0.093 43 3HD1 LEU 7 3HD1 LEU 7 -5.179 -13.089 -0.340 44 1HD2 LEU 7 1HD2 LEU 7 -2.849 -11.894 -0.735 45 2HD2 LEU 7 2HD2 LEU 7 -3.073 -12.733 0.799 46 3HD2 LEU 7 3HD2 LEU 7 -2.409 -11.098 0.776 47 H GLY 8 H GLY 8 -5.438 -6.905 1.399 48 1HA GLY 8 2HA GLY 8 -6.799 -6.526 3.504 49 2HA GLY 8 1HA GLY 8 -6.205 -8.118 3.976 50 H THR 9 H THR 9 -3.643 -7.584 2.595 51 HA THR 9 HA THR 9 -2.456 -5.432 4.124 52 HB THR 9 HB THR 9 -1.379 -8.248 4.449 53 HG1 THR 9 1HG THR 9 -3.389 -6.919 5.798 54 1HG2 THR 9 1HG2 THR 9 0.423 -7.158 5.205 55 2HG2 THR 9 2HG2 THR 9 -0.566 -6.631 6.568 56 3HG2 THR 9 3HG2 THR 9 -0.411 -5.605 5.142 57 H CYS 10 H CYS 10 -0.291 -4.974 3.418 58 HA CYS 10 HA CYS 10 0.042 -5.002 0.667 59 1HB CYS 10 2HB CYS 10 2.090 -4.557 2.834 60 2HB CYS 10 1HB CYS 10 2.336 -4.189 1.131 61 H TYR 11 H TYR 11 1.167 -6.138 -0.746 62 HA TYR 11 HA TYR 11 1.983 -8.811 -0.009 63 1HB TYR 11 2HB TYR 11 2.208 -7.523 -2.738 64 2HB TYR 11 1HB TYR 11 2.130 -9.239 -2.362 65 HD1 TYR 11 1HD TYR 11 0.089 -10.344 -2.568 66 HD2 TYR 11 2HD TYR 11 0.096 -6.118 -2.077 67 HE1 TYR 11 1HE TYR 11 -2.344 -10.296 -2.938 68 HE2 TYR 11 2HE TYR 11 -2.330 -6.062 -2.439 69 HH TYR 11 HH TYR 11 -4.021 -7.817 -3.807 70 H THR 12 H THR 12 3.372 -5.729 -0.557 71 HA THR 12 HA THR 12 6.068 -6.834 -0.869 72 HB THR 12 HB THR 12 5.568 -3.902 -0.888 73 HG1 THR 12 1HG THR 12 4.650 -5.745 -2.833 74 1HG2 THR 12 1HG2 THR 12 7.101 -4.751 -3.081 75 2HG2 THR 12 2HG2 THR 12 7.612 -5.750 -1.721 76 3HG2 THR 12 3HG2 THR 12 7.683 -3.993 -1.599 77 H THR 13 H THR 13 7.704 -6.358 0.548 78 HA THR 13 HA THR 13 6.941 -5.832 3.258 79 HB THR 13 HB THR 13 9.509 -6.021 3.579 80 HG1 THR 13 1HG THR 13 10.293 -7.375 1.684 81 1HG2 THR 13 1HG2 THR 13 8.727 -7.980 4.320 82 2HG2 THR 13 2HG2 THR 13 9.048 -8.622 2.711 83 3HG2 THR 13 3HG2 THR 13 7.445 -8.004 3.109 84 H GLY 14 H GLY 14 7.591 -4.138 4.566 85 1HA GLY 14 2HA GLY 14 8.507 -2.075 5.107 86 2HA GLY 14 1HA GLY 14 9.127 -1.938 3.470 87 H CYS 15 H CYS 15 6.048 -2.769 3.026 88 HA CYS 15 HA CYS 15 5.228 0.029 2.755 89 1HB CYS 15 2HB CYS 15 4.174 -2.495 1.464 90 2HB CYS 15 1HB CYS 15 3.435 -0.910 1.262 91 H THR 16 H THR 16 3.442 0.833 3.736 92 HA THR 16 HA THR 16 2.122 -0.936 5.682 93 HB THR 16 HB THR 16 1.604 1.206 6.918 94 HG1 THR 16 1HG THR 16 3.667 2.323 5.304 95 1HG2 THR 16 1HG2 THR 16 3.274 0.174 8.051 96 2HG2 THR 16 2HG2 THR 16 4.232 1.521 7.436 97 3HG2 THR 16 3HG2 THR 16 4.267 -0.037 6.609 98 H CYS 17 H CYS 17 -0.146 -0.693 5.967 99 HA CYS 17 HA CYS 17 -1.471 0.163 3.538 100 1HB CYS 17 2HB CYS 17 -2.506 -1.221 6.023 101 2HB CYS 17 1HB CYS 17 -3.501 -0.826 4.625 102 H ASN 18 H ASN 18 -2.007 2.207 3.332 103 HA ASN 18 HA ASN 18 -2.570 3.803 5.708 104 1HB ASN 18 2HB ASN 18 -2.046 5.659 4.496 105 2HB ASN 18 1HB ASN 18 -1.211 4.491 3.485 106 1HD2 ASN 18 1HD2 ASN 18 -1.718 4.395 1.422 107 2HD2 ASN 18 2HD2 ASN 18 -3.046 5.214 0.679 108 H LYS 19 H LYS 19 -4.513 5.068 5.824 109 HA LYS 19 HA LYS 19 -6.805 3.736 5.948 110 1HB LYS 19 2HB LYS 19 -8.009 5.921 5.857 111 2HB LYS 19 1HB LYS 19 -6.642 5.867 6.954 112 1HG LYS 19 2HG LYS 19 -6.388 7.927 5.966 113 2HG LYS 19 1HG LYS 19 -5.333 6.920 4.975 114 1HD LYS 19 2HD LYS 19 -6.679 8.403 3.583 115 2HD LYS 19 1HD LYS 19 -7.108 6.715 3.296 116 1HE LYS 19 2HE LYS 19 -9.025 6.998 4.852 117 2HE LYS 19 1HE LYS 19 -8.622 8.709 4.980 118 1HZ LYS 19 1HZ LYS 19 -10.168 8.771 3.329 119 2HZ LYS 19 2HZ LYS 19 -9.784 7.235 2.733 120 3HZ LYS 19 3HZ LYS 19 -8.783 8.552 2.383 121 H TYR 20 H TYR 20 -5.634 5.069 2.924 122 HA TYR 20 HA TYR 20 -8.187 4.642 1.605 123 1HB TYR 20 2HB TYR 20 -6.482 6.450 0.988 124 2HB TYR 20 1HB TYR 20 -5.534 5.160 0.258 125 HD1 TYR 20 1HD TYR 20 -9.225 5.678 0.222 126 HD2 TYR 20 2HD TYR 20 -5.617 5.598 -2.030 127 HE1 TYR 20 1HE TYR 20 -10.523 5.913 -1.853 128 HE2 TYR 20 2HE TYR 20 -6.904 5.833 -4.112 129 HH TYR 20 HH TYR 20 -9.463 5.203 -4.775 130 H ARG 21 H ARG 21 -6.342 2.581 2.910 131 HA ARG 21 HA ARG 21 -5.750 0.435 2.732 132 1HB ARG 21 2HB ARG 21 -8.219 0.327 2.057 133 2HB ARG 21 1HB ARG 21 -7.661 0.246 0.395 134 1HG ARG 21 2HG ARG 21 -6.589 -1.849 0.778 135 2HG ARG 21 1HG ARG 21 -6.878 -1.737 2.518 136 1HD ARG 21 2HD ARG 21 -9.287 -1.821 2.126 137 2HD ARG 21 1HD ARG 21 -9.008 -1.912 0.390 138 HE ARG 21 HE ARG 21 -7.623 -4.033 1.485 139 1HH1 ARG 21 1HH1 ARG 21 -10.944 -2.937 1.406 140 2HH1 ARG 21 2HH1 ARG 21 -11.615 -4.533 1.455 141 1HH2 ARG 21 1HH2 ARG 21 -8.502 -6.155 1.540 142 2HH2 ARG 21 2HH2 ARG 21 -10.220 -6.368 1.531 143 H VAL 22 H VAL 22 -4.194 2.310 1.555 144 HA VAL 22 HA VAL 22 -3.105 0.784 -0.744 145 HB VAL 22 HB VAL 22 -2.986 3.781 -0.387 146 1HG1 VAL 22 1HG1 VAL 22 -1.342 3.860 -1.874 147 2HG1 VAL 22 2HG1 VAL 22 -2.246 2.842 -2.995 148 3HG1 VAL 22 3HG1 VAL 22 -1.220 2.104 -1.764 149 1HG2 VAL 22 1HG2 VAL 22 -4.636 4.014 -1.935 150 2HG2 VAL 22 2HG2 VAL 22 -5.141 2.487 -1.211 151 3HG2 VAL 22 3HG2 VAL 22 -4.252 2.490 -2.735 152 H CYS 23 H CYS 23 -1.017 0.276 -0.745 153 HA CYS 23 HA CYS 23 0.448 0.420 1.692 154 1HB CYS 23 2HB CYS 23 1.275 -0.450 -1.084 155 2HB CYS 23 1HB CYS 23 2.206 -0.731 0.385 156 H THR 24 H THR 24 1.832 1.833 2.369 157 HA THR 24 HA THR 24 2.999 3.773 0.485 158 HB THR 24 HB THR 24 2.353 4.560 3.305 159 HG1 THR 24 1HG THR 24 0.404 3.679 2.456 160 1HG2 THR 24 1HG2 THR 24 1.748 6.485 1.261 161 2HG2 THR 24 2HG2 THR 24 3.372 5.841 1.010 162 3HG2 THR 24 3HG2 THR 24 2.946 6.580 2.554 163 H LYS 25 H LYS 25 5.166 4.214 0.824 164 HA LYS 25 HA LYS 25 6.435 2.779 3.062 165 1HB LYS 25 2HB LYS 25 6.909 1.738 0.881 166 2HB LYS 25 1HB LYS 25 7.564 3.260 0.298 167 1HG LYS 25 2HG LYS 25 9.442 3.115 1.683 168 2HG LYS 25 1HG LYS 25 8.700 1.884 2.708 169 1HD LYS 25 2HD LYS 25 9.492 1.499 -0.182 170 2HD LYS 25 1HD LYS 25 10.426 0.949 1.214 171 1HE LYS 25 2HE LYS 25 8.517 -0.436 1.916 172 2HE LYS 25 1HE LYS 25 7.627 0.088 0.488 173 1HZ LYS 25 1HZ LYS 25 10.246 -1.077 0.011 174 2HZ LYS 25 2HZ LYS 25 8.801 -1.262 -0.849 175 3HZ LYS 25 3HZ LYS 25 9.053 -2.139 0.580 176 H ASP 26 H ASP 26 6.655 5.580 0.915 177 HA ASP 26 HA ASP 26 7.561 7.254 3.061 178 1HB ASP 26 2HB ASP 26 9.670 6.103 2.229 179 2HB ASP 26 1HB ASP 26 9.416 6.912 0.686 180 H GLY 27 H GLY 27 8.720 9.169 1.016 181 1HA GLY 27 2HA GLY 27 6.204 10.361 0.233 182 2HA GLY 27 1HA GLY 27 7.810 11.028 -0.027 183 H SER 28 H SER 28 6.369 7.963 -1.037 184 HA SER 28 HA SER 28 7.463 8.179 -3.664 185 1HB SER 28 2HB SER 28 5.315 6.258 -2.776 186 2HB SER 28 1HB SER 28 6.540 6.024 -4.023 187 HG SER 28 HG SER 28 7.964 6.479 -1.964 188 H VAL 29 H VAL 29 6.541 8.914 -5.483 189 HA VAL 29 HA VAL 29 4.398 10.659 -5.457 190 HB VAL 29 HB VAL 29 5.404 9.145 -7.861 191 1HG1 VAL 29 1HG1 VAL 29 4.347 10.654 -9.209 192 2HG1 VAL 29 2HG1 VAL 29 4.391 11.935 -7.998 193 3HG1 VAL 29 3HG1 VAL 29 3.217 10.629 -7.857 194 1HG2 VAL 29 1HG2 VAL 29 7.073 10.458 -6.348 195 2HG2 VAL 29 2HG2 VAL 29 6.345 11.876 -7.103 196 3HG2 VAL 29 3HG2 VAL 29 7.133 10.653 -8.100 197 H LEU 30 H LEU 30 4.431 7.253 -6.178 198 HA LEU 30 HA LEU 30 1.491 7.304 -6.234 199 1HB LEU 30 2HB LEU 30 2.561 6.899 -8.485 200 2HB LEU 30 1HB LEU 30 3.219 5.413 -7.832 201 HG LEU 30 HG LEU 30 0.905 4.602 -7.432 202 1HD1 LEU 30 1HD1 LEU 30 -0.848 5.951 -7.552 203 2HD1 LEU 30 2HD1 LEU 30 -0.450 6.379 -9.216 204 3HD1 LEU 30 3HD1 LEU 30 0.245 7.296 -7.879 205 1HD2 LEU 30 1HD2 LEU 30 0.885 3.682 -9.470 206 2HD2 LEU 30 2HD2 LEU 30 2.347 4.628 -9.756 207 3HD2 LEU 30 3HD2 LEU 30 0.780 5.247 -10.278 208 H ASN 31 H ASN 31 3.114 6.962 -3.969 209 HA ASN 31 HA ASN 31 3.455 5.620 -2.161 210 1HB ASN 31 2HB ASN 31 1.028 4.243 -3.336 211 2HB ASN 31 1HB ASN 31 1.661 3.930 -1.724 212 1HD2 ASN 31 1HD2 ASN 31 0.587 4.932 -0.188 213 2HD2 ASN 31 2HD2 ASN 31 -0.191 6.469 -0.326 Start of MODEL 17 1 H CYS 1 H CYS 1 6.146 1.496 -3.938 2 HA CYS 1 HA CYS 1 5.282 -1.060 -4.658 3 1HB CYS 1 2HB CYS 1 4.919 -2.092 -2.454 4 2HB CYS 1 1HB CYS 1 6.630 -1.880 -2.798 5 H GLY 2 H GLY 2 4.213 1.228 -5.255 6 1HA GLY 2 2HA GLY 2 2.260 2.173 -3.380 7 2HA GLY 2 1HA GLY 2 2.381 2.618 -5.075 8 H GLU 3 H GLU 3 1.903 -0.515 -3.505 9 HA GLU 3 HA GLU 3 -0.261 -1.164 -5.319 10 1HB GLU 3 2HB GLU 3 -0.191 -3.358 -4.307 11 2HB GLU 3 1HB GLU 3 1.454 -2.849 -4.665 12 1HG GLU 3 2HG GLU 3 1.700 -2.159 -2.314 13 2HG GLU 3 1HG GLU 3 0.097 -2.788 -1.986 14 H THR 4 H THR 4 -1.778 -2.694 -3.711 15 HA THR 4 HA THR 4 -2.902 -0.887 -1.701 16 HB THR 4 HB THR 4 -5.207 -1.629 -2.467 17 HG1 THR 4 1HG THR 4 -4.015 -2.023 -4.999 18 1HG2 THR 4 1HG2 THR 4 -3.445 0.388 -3.655 19 2HG2 THR 4 2HG2 THR 4 -5.083 0.548 -3.018 20 3HG2 THR 4 3HG2 THR 4 -4.830 -0.036 -4.664 21 H CYS 5 H CYS 5 -4.019 -1.925 -0.025 22 HA CYS 5 HA CYS 5 -3.172 -4.705 0.285 23 1HB CYS 5 2HB CYS 5 -4.766 -3.335 2.405 24 2HB CYS 5 1HB CYS 5 -3.443 -4.473 2.560 25 H LEU 6 H LEU 6 -4.852 -4.778 -1.666 26 HA LEU 6 HA LEU 6 -7.597 -4.884 -1.095 27 1HB LEU 6 2HB LEU 6 -7.890 -6.034 -3.169 28 2HB LEU 6 1HB LEU 6 -6.641 -4.826 -3.388 29 HG LEU 6 HG LEU 6 -5.971 -7.718 -2.872 30 1HD1 LEU 6 1HD1 LEU 6 -7.480 -7.375 -4.885 31 2HD1 LEU 6 2HD1 LEU 6 -5.928 -8.161 -5.181 32 3HD1 LEU 6 3HD1 LEU 6 -6.149 -6.461 -5.594 33 1HD2 LEU 6 1HD2 LEU 6 -4.309 -5.923 -4.534 34 2HD2 LEU 6 2HD2 LEU 6 -3.831 -7.168 -3.380 35 3HD2 LEU 6 3HD2 LEU 6 -4.354 -5.585 -2.804 36 H LEU 7 H LEU 7 -5.085 -7.311 -0.852 37 HA LEU 7 HA LEU 7 -6.828 -9.475 -0.175 38 1HB LEU 7 2HB LEU 7 -4.504 -9.667 -1.154 39 2HB LEU 7 1HB LEU 7 -3.880 -9.204 0.412 40 HG LEU 7 HG LEU 7 -4.957 -11.213 1.399 41 1HD1 LEU 7 1HD1 LEU 7 -5.712 -11.686 -1.465 42 2HD1 LEU 7 2HD1 LEU 7 -6.739 -11.714 -0.031 43 3HD1 LEU 7 3HD1 LEU 7 -5.572 -13.008 -0.306 44 1HD2 LEU 7 1HD2 LEU 7 -2.640 -11.037 -0.188 45 2HD2 LEU 7 2HD2 LEU 7 -3.394 -12.587 -0.559 46 3HD2 LEU 7 3HD2 LEU 7 -2.985 -12.183 1.107 47 H GLY 8 H GLY 8 -5.471 -6.821 1.482 48 1HA GLY 8 2HA GLY 8 -6.663 -6.478 3.694 49 2HA GLY 8 1HA GLY 8 -6.010 -8.065 4.098 50 H THR 9 H THR 9 -3.554 -7.569 2.593 51 HA THR 9 HA THR 9 -2.280 -5.359 3.966 52 HB THR 9 HB THR 9 -1.193 -8.164 4.355 53 HG1 THR 9 1HG THR 9 -3.135 -6.778 5.742 54 1HG2 THR 9 1HG2 THR 9 0.551 -6.552 4.533 55 2HG2 THR 9 2HG2 THR 9 0.101 -6.986 6.183 56 3HG2 THR 9 3HG2 THR 9 -0.458 -5.466 5.488 57 H CYS 10 H CYS 10 -0.201 -4.891 3.113 58 HA CYS 10 HA CYS 10 0.049 -5.086 0.347 59 1HB CYS 10 2HB CYS 10 2.283 -4.535 2.299 60 2HB CYS 10 1HB CYS 10 2.170 -3.999 0.626 61 H TYR 11 H TYR 11 1.282 -6.261 -1.022 62 HA TYR 11 HA TYR 11 2.113 -8.871 -0.114 63 1HB TYR 11 2HB TYR 11 2.246 -7.525 -2.825 64 2HB TYR 11 1HB TYR 11 2.777 -9.174 -2.526 65 HD1 TYR 11 1HD TYR 11 -0.281 -7.203 -1.594 66 HD2 TYR 11 2HD TYR 11 1.315 -10.706 -3.407 67 HE1 TYR 11 1HE TYR 11 -2.562 -8.011 -2.026 68 HE2 TYR 11 2HE TYR 11 -0.964 -11.523 -3.843 69 HH TYR 11 HH TYR 11 -3.261 -10.495 -4.135 70 H THR 12 H THR 12 3.543 -5.816 -1.010 71 HA THR 12 HA THR 12 6.246 -6.861 -0.971 72 HB THR 12 HB THR 12 5.648 -3.936 -0.911 73 HG1 THR 12 1HG THR 12 4.215 -4.733 -2.491 74 1HG2 THR 12 1HG2 THR 12 7.906 -5.601 -1.421 75 2HG2 THR 12 2HG2 THR 12 7.823 -3.841 -1.372 76 3HG2 THR 12 3HG2 THR 12 7.528 -4.695 -2.885 77 H THR 13 H THR 13 7.794 -6.411 0.553 78 HA THR 13 HA THR 13 6.834 -6.053 3.238 79 HB THR 13 HB THR 13 9.359 -6.351 3.738 80 HG1 THR 13 1HG THR 13 10.175 -7.659 1.770 81 1HG2 THR 13 1HG2 THR 13 9.010 -8.879 2.827 82 2HG2 THR 13 2HG2 THR 13 7.347 -8.295 2.812 83 3HG2 THR 13 3HG2 THR 13 8.283 -8.256 4.308 84 H GLY 14 H GLY 14 7.366 -4.437 4.670 85 1HA GLY 14 2HA GLY 14 8.307 -2.449 5.420 86 2HA GLY 14 1HA GLY 14 9.086 -2.245 3.862 87 H CYS 15 H CYS 15 6.044 -2.912 3.071 88 HA CYS 15 HA CYS 15 5.387 -0.094 2.741 89 1HB CYS 15 2HB CYS 15 3.840 -2.450 1.660 90 2HB CYS 15 1HB CYS 15 3.882 -0.797 1.043 91 H THR 16 H THR 16 3.462 0.841 3.536 92 HA THR 16 HA THR 16 2.176 -0.735 5.665 93 HB THR 16 HB THR 16 1.712 1.443 6.785 94 HG1 THR 16 1HG THR 16 3.523 2.483 4.832 95 1HG2 THR 16 1HG2 THR 16 4.625 0.840 6.260 96 2HG2 THR 16 2HG2 THR 16 3.613 0.097 7.498 97 3HG2 THR 16 3HG2 THR 16 4.008 1.813 7.595 98 H CYS 17 H CYS 17 -0.064 -0.456 5.995 99 HA CYS 17 HA CYS 17 -1.457 0.195 3.546 100 1HB CYS 17 2HB CYS 17 -2.347 -1.092 6.127 101 2HB CYS 17 1HB CYS 17 -3.462 -0.702 4.821 102 H ASN 18 H ASN 18 -2.049 2.126 3.179 103 HA ASN 18 HA ASN 18 -2.511 4.108 5.228 104 1HB ASN 18 2HB ASN 18 -1.441 5.005 3.343 105 2HB ASN 18 1HB ASN 18 -2.417 4.067 2.221 106 1HD2 ASN 18 1HD2 ASN 18 -3.842 5.148 1.142 107 2HD2 ASN 18 2HD2 ASN 18 -4.558 6.651 1.604 108 H LYS 19 H LYS 19 -4.549 5.099 5.593 109 HA LYS 19 HA LYS 19 -6.691 3.524 5.987 110 1HB LYS 19 2HB LYS 19 -7.927 5.369 6.566 111 2HB LYS 19 1HB LYS 19 -6.292 5.997 6.666 112 1HG LYS 19 2HG LYS 19 -7.925 6.345 4.179 113 2HG LYS 19 1HG LYS 19 -8.114 7.428 5.556 114 1HD LYS 19 2HD LYS 19 -5.506 6.886 4.142 115 2HD LYS 19 1HD LYS 19 -6.549 8.272 3.827 116 1HE LYS 19 2HE LYS 19 -5.304 7.614 6.495 117 2HE LYS 19 1HE LYS 19 -4.671 8.795 5.352 118 1HZ LYS 19 1HZ LYS 19 -7.293 8.910 6.743 119 2HZ LYS 19 2HZ LYS 19 -6.793 10.004 5.552 120 3HZ LYS 19 3HZ LYS 19 -5.957 9.910 7.018 121 H TYR 20 H TYR 20 -5.973 5.031 2.895 122 HA TYR 20 HA TYR 20 -8.548 4.295 1.791 123 1HB TYR 20 2HB TYR 20 -7.175 6.322 1.075 124 2HB TYR 20 1HB TYR 20 -6.106 5.191 0.256 125 HD1 TYR 20 1HD TYR 20 -6.408 5.552 -2.016 126 HD2 TYR 20 2HD TYR 20 -9.831 5.251 0.491 127 HE1 TYR 20 1HE TYR 20 -7.858 5.616 -3.999 128 HE2 TYR 20 2HE TYR 20 -11.291 5.313 -1.486 129 HH TYR 20 HH TYR 20 -10.460 4.649 -4.407 130 H ARG 21 H ARG 21 -6.578 2.382 2.938 131 HA ARG 21 HA ARG 21 -5.762 0.322 2.668 132 1HB ARG 21 2HB ARG 21 -8.208 -0.007 2.026 133 2HB ARG 21 1HB ARG 21 -7.682 0.041 0.349 134 1HG ARG 21 2HG ARG 21 -6.273 -1.906 0.720 135 2HG ARG 21 1HG ARG 21 -6.758 -1.944 2.415 136 1HD ARG 21 2HD ARG 21 -8.606 -2.263 0.053 137 2HD ARG 21 1HD ARG 21 -7.990 -3.577 1.052 138 HE ARG 21 HE ARG 21 -9.329 -1.598 2.607 139 1HH1 ARG 21 1HH1 ARG 21 -9.830 -4.372 0.541 140 2HH1 ARG 21 2HH1 ARG 21 -11.390 -4.749 1.194 141 1HH2 ARG 21 1HH2 ARG 21 -11.393 -2.083 3.485 142 2HH2 ARG 21 2HH2 ARG 21 -12.283 -3.438 2.876 143 H VAL 22 H VAL 22 -4.340 2.326 1.541 144 HA VAL 22 HA VAL 22 -3.238 1.002 -0.879 145 HB VAL 22 HB VAL 22 -3.166 3.959 -0.207 146 1HG1 VAL 22 1HG1 VAL 22 -1.966 4.338 -2.203 147 2HG1 VAL 22 2HG1 VAL 22 -2.189 2.674 -2.745 148 3HG1 VAL 22 3HG1 VAL 22 -1.126 3.023 -1.381 149 1HG2 VAL 22 1HG2 VAL 22 -5.176 2.459 -1.408 150 2HG2 VAL 22 2HG2 VAL 22 -4.334 3.239 -2.746 151 3HG2 VAL 22 3HG2 VAL 22 -5.001 4.214 -1.436 152 H CYS 23 H CYS 23 -1.142 0.458 -0.900 153 HA CYS 23 HA CYS 23 0.339 0.612 1.569 154 1HB CYS 23 2HB CYS 23 1.073 -0.511 -1.135 155 2HB CYS 23 1HB CYS 23 1.984 -0.743 0.359 156 H THR 24 H THR 24 1.823 1.956 2.126 157 HA THR 24 HA THR 24 3.188 3.596 0.114 158 HB THR 24 HB THR 24 3.060 5.524 1.769 159 HG1 THR 24 1HG THR 24 1.298 3.682 2.980 160 1HG2 THR 24 1HG2 THR 24 1.573 6.249 0.273 161 2HG2 THR 24 2HG2 THR 24 0.300 5.460 1.204 162 3HG2 THR 24 3HG2 THR 24 1.097 4.595 -0.110 163 H LYS 25 H LYS 25 5.354 3.984 0.593 164 HA LYS 25 HA LYS 25 6.332 2.741 3.080 165 1HB LYS 25 2HB LYS 25 6.909 1.411 1.089 166 2HB LYS 25 1HB LYS 25 7.714 2.809 0.390 167 1HG LYS 25 2HG LYS 25 9.392 2.779 2.097 168 2HG LYS 25 1HG LYS 25 8.529 1.523 2.987 169 1HD LYS 25 2HD LYS 25 9.688 1.206 0.218 170 2HD LYS 25 1HD LYS 25 10.444 0.634 1.707 171 1HE LYS 25 2HE LYS 25 8.601 -0.859 2.125 172 2HE LYS 25 1HE LYS 25 7.715 -0.212 0.746 173 1HZ LYS 25 1HZ LYS 25 8.865 -2.380 0.366 174 2HZ LYS 25 2HZ LYS 25 10.339 -1.559 0.486 175 3HZ LYS 25 3HZ LYS 25 9.253 -1.161 -0.750 176 H ASP 26 H ASP 26 7.151 5.121 0.576 177 HA ASP 26 HA ASP 26 8.132 6.927 2.661 178 1HB ASP 26 2HB ASP 26 10.026 5.606 1.588 179 2HB ASP 26 1HB ASP 26 9.672 6.473 0.102 180 H GLY 27 H GLY 27 5.740 6.890 1.358 181 1HA GLY 27 2HA GLY 27 4.285 8.430 0.430 182 2HA GLY 27 1HA GLY 27 5.650 9.512 0.202 183 H SER 28 H SER 28 7.272 7.957 -1.405 184 HA SER 28 HA SER 28 6.153 8.416 -3.948 185 1HB SER 28 2HB SER 28 8.252 6.879 -4.554 186 2HB SER 28 1HB SER 28 8.428 8.557 -4.062 187 HG SER 28 HG SER 28 9.265 7.935 -2.196 188 H VAL 29 H VAL 29 5.151 7.166 -5.353 189 HA VAL 29 HA VAL 29 4.148 4.604 -4.540 190 HB VAL 29 HB VAL 29 3.911 5.965 -7.234 191 1HG1 VAL 29 1HG1 VAL 29 2.563 4.315 -7.901 192 2HG1 VAL 29 2HG1 VAL 29 1.718 4.261 -6.355 193 3HG1 VAL 29 3HG1 VAL 29 3.238 3.391 -6.559 194 1HG2 VAL 29 1HG2 VAL 29 2.966 6.957 -4.867 195 2HG2 VAL 29 2HG2 VAL 29 1.585 6.038 -5.469 196 3HG2 VAL 29 3HG2 VAL 29 2.297 7.309 -6.462 197 H LEU 30 H LEU 30 6.834 5.824 -6.170 198 HA LEU 30 HA LEU 30 7.434 3.565 -7.828 199 1HB LEU 30 2HB LEU 30 9.178 5.856 -6.926 200 2HB LEU 30 1HB LEU 30 9.606 4.687 -8.160 201 HG LEU 30 HG LEU 30 7.316 6.649 -8.327 202 1HD1 LEU 30 1HD1 LEU 30 10.030 6.602 -9.631 203 2HD1 LEU 30 2HD1 LEU 30 9.395 7.815 -8.520 204 3HD1 LEU 30 3HD1 LEU 30 8.704 7.650 -10.135 205 1HD2 LEU 30 1HD2 LEU 30 7.399 4.253 -9.550 206 2HD2 LEU 30 2HD2 LEU 30 8.298 5.226 -10.715 207 3HD2 LEU 30 3HD2 LEU 30 6.658 5.688 -10.260 208 H ASN 31 H ASN 31 7.007 2.211 -5.743 209 HA ASN 31 HA ASN 31 9.486 1.027 -5.018 210 1HB ASN 31 2HB ASN 31 9.329 3.067 -3.464 211 2HB ASN 31 1HB ASN 31 7.983 2.234 -2.692 212 1HD2 ASN 31 1HD2 ASN 31 11.214 2.776 -2.567 213 2HD2 ASN 31 2HD2 ASN 31 11.705 1.411 -1.629 Start of MODEL 18 1 H CYS 1 H CYS 1 7.820 0.755 -2.543 2 HA CYS 1 HA CYS 1 6.001 -1.426 -3.146 3 1HB CYS 1 2HB CYS 1 5.535 1.055 -1.489 4 2HB CYS 1 1HB CYS 1 4.512 -0.377 -1.543 5 H GLY 2 H GLY 2 4.187 -1.301 -4.360 6 1HA GLY 2 2HA GLY 2 3.199 1.221 -5.383 7 2HA GLY 2 1HA GLY 2 3.974 0.215 -6.604 8 H GLU 3 H GLU 3 2.023 -0.668 -3.811 9 HA GLU 3 HA GLU 3 -0.033 -1.798 -5.585 10 1HB GLU 3 2HB GLU 3 -0.087 -3.810 -4.197 11 2HB GLU 3 1HB GLU 3 1.502 -3.586 -4.913 12 1HG GLU 3 2HG GLU 3 0.781 -2.805 -2.096 13 2HG GLU 3 1HG GLU 3 1.547 -4.324 -2.547 14 H THR 4 H THR 4 -1.614 -2.899 -3.810 15 HA THR 4 HA THR 4 -2.366 -0.894 -1.810 16 HB THR 4 HB THR 4 -4.800 -1.324 -2.527 17 HG1 THR 4 1HG THR 4 -3.924 -1.676 -5.132 18 1HG2 THR 4 1HG2 THR 4 -2.824 0.372 -4.000 19 2HG2 THR 4 2HG2 THR 4 -4.099 0.855 -2.882 20 3HG2 THR 4 3HG2 THR 4 -4.508 0.340 -4.519 21 H CYS 5 H CYS 5 -3.768 -1.784 -0.120 22 HA CYS 5 HA CYS 5 -3.198 -4.624 0.240 23 1HB CYS 5 2HB CYS 5 -4.712 -3.050 2.281 24 2HB CYS 5 1HB CYS 5 -3.558 -4.347 2.507 25 H LEU 6 H LEU 6 -4.851 -4.491 -1.769 26 HA LEU 6 HA LEU 6 -7.589 -4.330 -1.318 27 1HB LEU 6 2HB LEU 6 -6.107 -6.129 -3.231 28 2HB LEU 6 1HB LEU 6 -7.833 -5.828 -3.286 29 HG LEU 6 HG LEU 6 -5.678 -3.754 -3.696 30 1HD1 LEU 6 1HD1 LEU 6 -5.651 -4.409 -5.812 31 2HD1 LEU 6 2HD1 LEU 6 -7.372 -4.046 -5.934 32 3HD1 LEU 6 3HD1 LEU 6 -6.843 -5.661 -5.463 33 1HD2 LEU 6 1HD2 LEU 6 -8.389 -3.106 -4.527 34 2HD2 LEU 6 2HD2 LEU 6 -7.235 -2.160 -3.586 35 3HD2 LEU 6 3HD2 LEU 6 -8.249 -3.361 -2.786 36 H LEU 7 H LEU 7 -5.425 -7.064 -0.920 37 HA LEU 7 HA LEU 7 -7.506 -8.865 -0.114 38 1HB LEU 7 2HB LEU 7 -5.774 -10.482 0.238 39 2HB LEU 7 1HB LEU 7 -5.459 -9.632 -1.240 40 HG LEU 7 HG LEU 7 -3.374 -9.982 -0.295 41 1HD1 LEU 7 1HD1 LEU 7 -3.152 -7.408 0.793 42 2HD1 LEU 7 2HD1 LEU 7 -4.357 -7.326 -0.492 43 3HD1 LEU 7 3HD1 LEU 7 -2.745 -7.955 -0.835 44 1HD2 LEU 7 1HD2 LEU 7 -3.678 -8.672 2.281 45 2HD2 LEU 7 2HD2 LEU 7 -2.910 -10.203 1.862 46 3HD2 LEU 7 3HD2 LEU 7 -4.654 -10.132 2.119 47 H GLY 8 H GLY 8 -5.700 -6.436 1.362 48 1HA GLY 8 2HA GLY 8 -6.735 -5.908 3.612 49 2HA GLY 8 1HA GLY 8 -6.244 -7.544 4.031 50 H THR 9 H THR 9 -3.728 -7.405 2.505 51 HA THR 9 HA THR 9 -2.283 -5.218 3.797 52 HB THR 9 HB THR 9 -1.562 -8.074 4.510 53 HG1 THR 9 1HG THR 9 -3.307 -6.289 5.644 54 1HG2 THR 9 1HG2 THR 9 0.254 -6.246 4.378 55 2HG2 THR 9 2HG2 THR 9 0.152 -7.212 5.850 56 3HG2 THR 9 3HG2 THR 9 -0.516 -5.580 5.820 57 H CYS 10 H CYS 10 -0.394 -4.689 2.814 58 HA CYS 10 HA CYS 10 0.143 -5.507 0.192 59 1HB CYS 10 2HB CYS 10 2.315 -4.400 1.932 60 2HB CYS 10 1HB CYS 10 1.934 -4.028 0.253 61 H TYR 11 H TYR 11 1.442 -7.022 -0.701 62 HA TYR 11 HA TYR 11 2.455 -9.129 0.980 63 1HB TYR 11 2HB TYR 11 2.654 -8.703 -2.013 64 2HB TYR 11 1HB TYR 11 3.230 -10.137 -1.174 65 HD1 TYR 11 1HD TYR 11 0.147 -8.153 -1.831 66 HD2 TYR 11 2HD TYR 11 1.799 -11.936 -0.805 67 HE1 TYR 11 1HE TYR 11 -2.072 -9.183 -2.077 68 HE2 TYR 11 2HE TYR 11 -0.416 -12.977 -1.048 69 HH TYR 11 HH TYR 11 -2.582 -12.631 -1.410 70 H THR 12 H THR 12 3.714 -6.445 -0.854 71 HA THR 12 HA THR 12 6.449 -7.164 -0.735 72 HB THR 12 HB THR 12 5.635 -4.309 -0.917 73 HG1 THR 12 1HG THR 12 4.612 -4.577 -2.825 74 1HG2 THR 12 1HG2 THR 12 7.995 -5.214 -1.224 75 2HG2 THR 12 2HG2 THR 12 7.381 -4.173 -2.509 76 3HG2 THR 12 3HG2 THR 12 7.415 -5.922 -2.731 77 H THR 13 H THR 13 8.062 -6.452 0.590 78 HA THR 13 HA THR 13 7.319 -5.811 3.298 79 HB THR 13 HB THR 13 9.854 -5.943 3.636 80 HG1 THR 13 1HG THR 13 10.284 -5.617 1.326 81 1HG2 THR 13 1HG2 THR 13 8.251 -7.792 4.112 82 2HG2 THR 13 2HG2 THR 13 9.851 -8.356 3.628 83 3HG2 THR 13 3HG2 THR 13 8.517 -8.391 2.474 84 H GLY 14 H GLY 14 7.742 -3.923 4.379 85 1HA GLY 14 2HA GLY 14 8.696 -1.792 4.701 86 2HA GLY 14 1HA GLY 14 9.228 -1.803 3.026 87 H CYS 15 H CYS 15 6.165 -2.872 2.993 88 HA CYS 15 HA CYS 15 5.142 -0.227 2.264 89 1HB CYS 15 2HB CYS 15 3.803 -2.888 1.787 90 2HB CYS 15 1HB CYS 15 3.519 -1.361 0.954 91 H THR 16 H THR 16 3.405 0.694 3.289 92 HA THR 16 HA THR 16 2.328 -0.806 5.592 93 HB THR 16 HB THR 16 1.853 1.541 6.531 94 HG1 THR 16 1HG THR 16 4.101 2.376 5.067 95 1HG2 THR 16 1HG2 THR 16 3.411 0.524 7.826 96 2HG2 THR 16 2HG2 THR 16 4.490 1.694 7.067 97 3HG2 THR 16 3HG2 THR 16 4.401 0.044 6.448 98 H CYS 17 H CYS 17 0.104 -0.623 6.013 99 HA CYS 17 HA CYS 17 -1.427 0.079 3.648 100 1HB CYS 17 2HB CYS 17 -2.147 -1.390 6.180 101 2HB CYS 17 1HB CYS 17 -3.342 -0.955 4.961 102 H ASN 18 H ASN 18 -2.312 1.976 3.399 103 HA ASN 18 HA ASN 18 -2.828 3.639 5.756 104 1HB ASN 18 2HB ASN 18 -2.138 5.376 4.511 105 2HB ASN 18 1HB ASN 18 -1.710 4.237 3.245 106 1HD2 ASN 18 1HD2 ASN 18 -2.593 4.541 1.362 107 2HD2 ASN 18 2HD2 ASN 18 -4.015 5.468 1.030 108 H LYS 19 H LYS 19 -4.844 4.588 6.045 109 HA LYS 19 HA LYS 19 -7.041 3.127 6.130 110 1HB LYS 19 2HB LYS 19 -8.394 5.170 6.215 111 2HB LYS 19 1HB LYS 19 -6.913 5.311 7.150 112 1HG LYS 19 2HG LYS 19 -5.906 6.693 5.495 113 2HG LYS 19 1HG LYS 19 -7.220 6.386 4.357 114 1HD LYS 19 2HD LYS 19 -7.509 8.572 5.320 115 2HD LYS 19 1HD LYS 19 -8.777 7.506 5.924 116 1HE LYS 19 2HE LYS 19 -7.539 7.192 8.002 117 2HE LYS 19 1HE LYS 19 -6.245 8.225 7.398 118 1HZ LYS 19 1HZ LYS 19 -8.318 9.850 7.112 119 2HZ LYS 19 2HZ LYS 19 -7.395 9.779 8.528 120 3HZ LYS 19 3HZ LYS 19 -8.864 8.946 8.436 121 H TYR 20 H TYR 20 -6.157 4.935 3.222 122 HA TYR 20 HA TYR 20 -8.626 4.309 1.873 123 1HB TYR 20 2HB TYR 20 -7.027 6.294 1.437 124 2HB TYR 20 1HB TYR 20 -6.079 5.146 0.501 125 HD1 TYR 20 1HD TYR 20 -9.767 5.645 0.788 126 HD2 TYR 20 2HD TYR 20 -6.346 5.678 -1.738 127 HE1 TYR 20 1HE TYR 20 -11.213 6.054 -1.154 128 HE2 TYR 20 2HE TYR 20 -7.784 6.086 -3.690 129 HH TYR 20 HH TYR 20 -10.548 5.496 -4.092 130 H ARG 21 H ARG 21 -6.690 2.234 2.956 131 HA ARG 21 HA ARG 21 -5.941 0.170 2.540 132 1HB ARG 21 2HB ARG 21 -8.378 -0.046 1.844 133 2HB ARG 21 1HB ARG 21 -7.839 0.152 0.183 134 1HG ARG 21 2HG ARG 21 -6.471 -1.848 0.375 135 2HG ARG 21 1HG ARG 21 -6.977 -2.040 2.053 136 1HD ARG 21 2HD ARG 21 -8.825 -2.076 -0.330 137 2HD ARG 21 1HD ARG 21 -8.202 -3.508 0.487 138 HE ARG 21 HE ARG 21 -9.591 -1.657 2.207 139 1HH1 ARG 21 1HH1 ARG 21 -9.826 -4.487 0.168 140 2HH1 ARG 21 2HH1 ARG 21 -11.345 -5.001 0.824 141 1HH2 ARG 21 1HH2 ARG 21 -11.599 -2.327 3.091 142 2HH2 ARG 21 2HH2 ARG 21 -12.356 -3.766 2.496 143 H VAL 22 H VAL 22 -4.521 2.302 1.518 144 HA VAL 22 HA VAL 22 -3.328 1.060 -0.897 145 HB VAL 22 HB VAL 22 -3.364 4.003 -0.204 146 1HG1 VAL 22 1HG1 VAL 22 -1.288 2.986 -1.385 147 2HG1 VAL 22 2HG1 VAL 22 -2.025 4.452 -2.034 148 3HG1 VAL 22 3HG1 VAL 22 -2.354 2.891 -2.787 149 1HG2 VAL 22 1HG2 VAL 22 -5.310 4.029 -1.272 150 2HG2 VAL 22 2HG2 VAL 22 -5.152 2.330 -1.718 151 3HG2 VAL 22 3HG2 VAL 22 -4.441 3.579 -2.738 152 H CYS 23 H CYS 23 -1.220 0.611 -0.899 153 HA CYS 23 HA CYS 23 0.177 0.652 1.600 154 1HB CYS 23 2HB CYS 23 1.145 -0.172 -1.140 155 2HB CYS 23 1HB CYS 23 1.918 -0.548 0.396 156 H THR 24 H THR 24 1.467 2.087 2.342 157 HA THR 24 HA THR 24 2.503 4.201 0.598 158 HB THR 24 HB THR 24 3.152 5.010 3.114 159 HG1 THR 24 1HG THR 24 2.125 3.440 4.273 160 1HG2 THR 24 1HG2 THR 24 0.399 5.465 1.981 161 2HG2 THR 24 2HG2 THR 24 1.848 6.192 1.285 162 3HG2 THR 24 3HG2 THR 24 1.381 6.572 2.942 163 H LYS 25 H LYS 25 4.649 4.352 0.272 164 HA LYS 25 HA LYS 25 6.239 2.099 1.007 165 1HB LYS 25 2HB LYS 25 7.282 4.573 -0.355 166 2HB LYS 25 1HB LYS 25 7.863 2.923 -0.491 167 1HG LYS 25 2HG LYS 25 6.796 3.257 -2.510 168 2HG LYS 25 1HG LYS 25 5.558 2.441 -1.557 169 1HD LYS 25 2HD LYS 25 4.496 4.582 -1.074 170 2HD LYS 25 1HD LYS 25 5.764 5.428 -1.960 171 1HE LYS 25 2HE LYS 25 3.760 5.218 -3.320 172 2HE LYS 25 1HE LYS 25 5.084 4.287 -4.016 173 1HZ LYS 25 1HZ LYS 25 4.086 2.310 -3.516 174 2HZ LYS 25 2HZ LYS 25 2.714 3.260 -3.798 175 3HZ LYS 25 3HZ LYS 25 3.200 2.932 -2.211 176 H ASP 26 H ASP 26 7.558 1.896 2.668 177 HA ASP 26 HA ASP 26 8.321 4.309 4.165 178 1HB ASP 26 2HB ASP 26 7.019 2.769 5.524 179 2HB ASP 26 1HB ASP 26 8.085 1.435 5.092 180 H GLY 27 H GLY 27 10.474 4.583 4.769 181 1HA GLY 27 2HA GLY 27 12.765 4.239 4.750 182 2HA GLY 27 1HA GLY 27 12.489 2.645 4.065 183 H SER 28 H SER 28 11.157 3.205 1.760 184 HA SER 28 HA SER 28 12.593 5.235 0.267 185 1HB SER 28 2HB SER 28 12.809 2.360 -0.643 186 2HB SER 28 1HB SER 28 13.604 3.771 -1.332 187 HG SER 28 HG SER 28 14.286 3.700 1.208 188 H VAL 29 H VAL 29 11.400 5.975 -1.398 189 HA VAL 29 HA VAL 29 8.697 5.141 -1.624 190 HB VAL 29 HB VAL 29 10.204 7.000 -3.462 191 1HG1 VAL 29 1HG1 VAL 29 7.640 7.918 -3.298 192 2HG1 VAL 29 2HG1 VAL 29 7.407 6.169 -3.250 193 3HG1 VAL 29 3HG1 VAL 29 8.275 6.907 -4.597 194 1HG2 VAL 29 1HG2 VAL 29 10.513 7.977 -1.376 195 2HG2 VAL 29 2HG2 VAL 29 8.936 7.453 -0.787 196 3HG2 VAL 29 3HG2 VAL 29 9.048 8.758 -1.968 197 H LEU 30 H LEU 30 11.579 4.531 -3.422 198 HA LEU 30 HA LEU 30 10.190 3.290 -5.636 199 1HB LEU 30 2HB LEU 30 12.270 4.577 -5.986 200 2HB LEU 30 1HB LEU 30 13.146 3.401 -5.024 201 HG LEU 30 HG LEU 30 12.586 1.657 -6.700 202 1HD1 LEU 30 1HD1 LEU 30 11.840 3.661 -8.724 203 2HD1 LEU 30 2HD1 LEU 30 10.610 3.299 -7.514 204 3HD1 LEU 30 3HD1 LEU 30 11.283 2.002 -8.502 205 1HD2 LEU 30 1HD2 LEU 30 14.690 3.047 -6.741 206 2HD2 LEU 30 2HD2 LEU 30 13.924 4.018 -7.998 207 3HD2 LEU 30 3HD2 LEU 30 14.232 2.304 -8.272 208 H ASN 31 H ASN 31 9.075 1.674 -4.395 209 HA ASN 31 HA ASN 31 10.386 -0.838 -4.426 210 1HB ASN 31 2HB ASN 31 11.381 -0.045 -2.334 211 2HB ASN 31 1HB ASN 31 9.784 0.322 -1.692 212 1HD2 ASN 31 1HD2 ASN 31 9.027 -1.126 -0.345 213 2HD2 ASN 31 2HD2 ASN 31 9.393 -2.811 -0.337 Start of MODEL 19 1 H CYS 1 H CYS 1 6.046 2.386 -3.297 2 HA CYS 1 HA CYS 1 5.165 -0.317 -3.988 3 1HB CYS 1 2HB CYS 1 5.890 0.339 -1.621 4 2HB CYS 1 1HB CYS 1 4.375 1.230 -1.521 5 H GLY 2 H GLY 2 4.228 1.186 -5.872 6 1HA GLY 2 2HA GLY 2 1.756 2.511 -5.303 7 2HA GLY 2 1HA GLY 2 2.373 2.101 -6.896 8 H GLU 3 H GLU 3 0.965 0.562 -4.017 9 HA GLU 3 HA GLU 3 -0.827 -0.966 -5.738 10 1HB GLU 3 2HB GLU 3 1.105 -2.432 -5.461 11 2HB GLU 3 1HB GLU 3 1.050 -2.219 -3.718 12 1HG GLU 3 2HG GLU 3 0.151 -4.378 -4.433 13 2HG GLU 3 1HG GLU 3 -1.047 -3.396 -3.595 14 H THR 4 H THR 4 -2.535 -2.048 -4.468 15 HA THR 4 HA THR 4 -3.221 -0.470 -2.075 16 HB THR 4 HB THR 4 -5.578 -1.147 -2.588 17 HG1 THR 4 1HG THR 4 -4.237 -2.445 -4.687 18 1HG2 THR 4 1HG2 THR 4 -4.829 0.190 -5.076 19 2HG2 THR 4 2HG2 THR 4 -4.085 0.903 -3.646 20 3HG2 THR 4 3HG2 THR 4 -5.839 0.757 -3.746 21 H CYS 5 H CYS 5 -4.332 -1.605 -0.320 22 HA CYS 5 HA CYS 5 -3.259 -4.295 -0.028 23 1HB CYS 5 2HB CYS 5 -4.998 -2.902 2.002 24 2HB CYS 5 1HB CYS 5 -3.870 -4.214 2.257 25 H LEU 6 H LEU 6 -4.763 -4.612 -1.980 26 HA LEU 6 HA LEU 6 -7.531 -4.855 -1.673 27 1HB LEU 6 2HB LEU 6 -6.349 -4.933 -3.842 28 2HB LEU 6 1HB LEU 6 -5.693 -6.503 -3.420 29 HG LEU 6 HG LEU 6 -8.000 -7.418 -3.363 30 1HD1 LEU 6 1HD1 LEU 6 -8.731 -4.720 -3.316 31 2HD1 LEU 6 2HD1 LEU 6 -9.799 -6.121 -3.411 32 3HD1 LEU 6 3HD1 LEU 6 -9.251 -5.327 -4.887 33 1HD2 LEU 6 1HD2 LEU 6 -8.385 -7.142 -5.879 34 2HD2 LEU 6 2HD2 LEU 6 -6.852 -7.835 -5.354 35 3HD2 LEU 6 3HD2 LEU 6 -6.928 -6.149 -5.861 36 H LEU 7 H LEU 7 -4.907 -7.084 -0.965 37 HA LEU 7 HA LEU 7 -6.725 -9.172 -0.107 38 1HB LEU 7 2HB LEU 7 -3.712 -8.996 0.044 39 2HB LEU 7 1HB LEU 7 -4.665 -10.416 0.433 40 HG LEU 7 HG LEU 7 -4.472 -9.135 -2.295 41 1HD1 LEU 7 1HD1 LEU 7 -2.910 -10.677 -2.878 42 2HD1 LEU 7 2HD1 LEU 7 -3.493 -11.873 -1.721 43 3HD1 LEU 7 3HD1 LEU 7 -2.507 -10.519 -1.169 44 1HD2 LEU 7 1HD2 LEU 7 -6.627 -10.391 -1.537 45 2HD2 LEU 7 2HD2 LEU 7 -5.631 -11.832 -1.744 46 3HD2 LEU 7 3HD2 LEU 7 -5.906 -10.747 -3.107 47 H GLY 8 H GLY 8 -6.202 -6.375 1.220 48 1HA GLY 8 2HA GLY 8 -6.881 -5.905 3.455 49 2HA GLY 8 1HA GLY 8 -6.212 -7.457 3.950 50 H THR 9 H THR 9 -3.752 -7.317 2.678 51 HA THR 9 HA THR 9 -2.427 -4.883 3.487 52 HB THR 9 HB THR 9 -1.692 -7.491 4.857 53 HG1 THR 9 1HG THR 9 -3.466 -5.525 5.514 54 1HG2 THR 9 1HG2 THR 9 -0.650 -4.753 5.531 55 2HG2 THR 9 2HG2 THR 9 0.139 -5.766 4.322 56 3HG2 THR 9 3HG2 THR 9 0.003 -6.327 5.988 57 H CYS 10 H CYS 10 -0.434 -4.631 2.446 58 HA CYS 10 HA CYS 10 0.044 -6.364 0.209 59 1HB CYS 10 2HB CYS 10 1.225 -3.821 1.211 60 2HB CYS 10 1HB CYS 10 2.199 -4.804 0.128 61 H TYR 11 H TYR 11 1.562 -7.902 -0.032 62 HA TYR 11 HA TYR 11 2.919 -8.837 2.337 63 1HB TYR 11 2HB TYR 11 2.786 -9.894 -0.493 64 2HB TYR 11 1HB TYR 11 3.734 -10.661 0.777 65 HD1 TYR 11 1HD TYR 11 0.234 -9.333 0.449 66 HD2 TYR 11 2HD TYR 11 2.760 -12.533 1.667 67 HE1 TYR 11 1HE TYR 11 -1.741 -10.615 1.155 68 HE2 TYR 11 2HE TYR 11 0.790 -13.823 2.376 69 HH TYR 11 HH TYR 11 -2.295 -12.446 2.692 70 H THR 12 H THR 12 3.589 -6.545 0.078 71 HA THR 12 HA THR 12 6.323 -7.041 -0.491 72 HB THR 12 HB THR 12 5.294 -4.259 -0.422 73 HG1 THR 12 1HG THR 12 4.117 -4.697 -2.388 74 1HG2 THR 12 1HG2 THR 12 7.498 -5.467 -1.494 75 2HG2 THR 12 2HG2 THR 12 6.847 -3.913 -2.016 76 3HG2 THR 12 3HG2 THR 12 6.416 -5.386 -2.885 77 H THR 13 H THR 13 8.128 -6.324 0.504 78 HA THR 13 HA THR 13 7.991 -5.759 3.291 79 HB THR 13 HB THR 13 10.527 -5.517 3.009 80 HG1 THR 13 1HG THR 13 10.348 -5.074 0.698 81 1HG2 THR 13 1HG2 THR 13 8.825 -7.887 2.729 82 2HG2 THR 13 2HG2 THR 13 10.190 -7.595 3.806 83 3HG2 THR 13 3HG2 THR 13 10.474 -8.113 2.145 84 H GLY 14 H GLY 14 8.149 -3.886 4.347 85 1HA GLY 14 2HA GLY 14 8.750 -1.671 4.735 86 2HA GLY 14 1HA GLY 14 9.251 -1.526 3.061 87 H CYS 15 H CYS 15 6.361 -2.890 2.803 88 HA CYS 15 HA CYS 15 5.071 -0.328 2.310 89 1HB CYS 15 2HB CYS 15 4.194 -3.145 1.648 90 2HB CYS 15 1HB CYS 15 3.321 -1.685 1.194 91 H THR 16 H THR 16 3.214 0.369 3.284 92 HA THR 16 HA THR 16 2.196 -1.227 5.536 93 HB THR 16 HB THR 16 1.823 0.993 6.721 94 HG1 THR 16 1HG THR 16 3.672 1.867 4.724 95 1HG2 THR 16 1HG2 THR 16 3.633 0.484 7.923 96 2HG2 THR 16 2HG2 THR 16 4.712 0.944 6.606 97 3HG2 THR 16 3HG2 THR 16 4.046 -0.687 6.671 98 H CYS 17 H CYS 17 -0.063 -0.843 6.007 99 HA CYS 17 HA CYS 17 -1.473 -0.040 3.608 100 1HB CYS 17 2HB CYS 17 -2.320 -1.498 6.093 101 2HB CYS 17 1HB CYS 17 -3.495 -0.909 4.918 102 H ASN 18 H ASN 18 -2.221 1.831 3.299 103 HA ASN 18 HA ASN 18 -2.518 3.757 5.458 104 1HB ASN 18 2HB ASN 18 -1.443 4.760 3.647 105 2HB ASN 18 1HB ASN 18 -2.397 3.879 2.462 106 1HD2 ASN 18 1HD2 ASN 18 -3.736 5.073 1.384 107 2HD2 ASN 18 2HD2 ASN 18 -4.489 6.527 1.926 108 H LYS 19 H LYS 19 -4.468 4.769 5.922 109 HA LYS 19 HA LYS 19 -6.709 3.302 6.208 110 1HB LYS 19 2HB LYS 19 -7.945 5.376 6.599 111 2HB LYS 19 1HB LYS 19 -6.366 5.395 7.365 112 1HG LYS 19 2HG LYS 19 -6.431 7.503 6.507 113 2HG LYS 19 1HG LYS 19 -5.667 6.652 5.166 114 1HD LYS 19 2HD LYS 19 -7.425 8.144 4.365 115 2HD LYS 19 1HD LYS 19 -7.838 6.458 4.049 116 1HE LYS 19 2HE LYS 19 -9.244 6.467 6.086 117 2HE LYS 19 1HE LYS 19 -8.885 8.179 6.296 118 1HZ LYS 19 1HZ LYS 19 -10.559 6.867 4.272 119 2HZ LYS 19 2HZ LYS 19 -9.790 8.321 3.876 120 3HZ LYS 19 3HZ LYS 19 -10.865 8.262 5.181 121 H TYR 20 H TYR 20 -5.845 4.931 3.237 122 HA TYR 20 HA TYR 20 -8.507 4.543 2.132 123 1HB TYR 20 2HB TYR 20 -7.022 6.536 1.580 124 2HB TYR 20 1HB TYR 20 -6.031 5.423 0.642 125 HD1 TYR 20 1HD TYR 20 -6.333 6.014 -1.583 126 HD2 TYR 20 2HD TYR 20 -9.744 5.685 0.937 127 HE1 TYR 20 1HE TYR 20 -7.796 6.352 -3.530 128 HE2 TYR 20 2HE TYR 20 -11.217 6.019 -1.004 129 HH TYR 20 HH TYR 20 -10.432 5.593 -4.002 130 H ARG 21 H ARG 21 -6.679 2.388 3.054 131 HA ARG 21 HA ARG 21 -6.050 0.294 2.559 132 1HB ARG 21 2HB ARG 21 -8.533 0.335 1.828 133 2HB ARG 21 1HB ARG 21 -7.916 0.408 0.187 134 1HG ARG 21 2HG ARG 21 -6.892 -1.736 0.401 135 2HG ARG 21 1HG ARG 21 -7.258 -1.793 2.128 136 1HD ARG 21 2HD ARG 21 -9.646 -1.769 1.631 137 2HD ARG 21 1HD ARG 21 -9.295 -1.683 -0.092 138 HE ARG 21 HE ARG 21 -8.023 -3.955 0.824 139 1HH1 ARG 21 1HH1 ARG 21 -11.296 -2.728 0.733 140 2HH1 ARG 21 2HH1 ARG 21 -12.028 -4.290 0.579 141 1HH2 ARG 21 1HH2 ARG 21 -8.990 -6.047 0.599 142 2HH2 ARG 21 2HH2 ARG 21 -10.715 -6.177 0.510 143 H VAL 22 H VAL 22 -4.450 2.287 1.671 144 HA VAL 22 HA VAL 22 -3.456 1.197 -0.906 145 HB VAL 22 HB VAL 22 -3.018 3.990 0.163 146 1HG1 VAL 22 1HG1 VAL 22 -2.472 3.653 -2.632 147 2HG1 VAL 22 2HG1 VAL 22 -1.514 2.516 -1.684 148 3HG1 VAL 22 3HG1 VAL 22 -1.415 4.245 -1.349 149 1HG2 VAL 22 1HG2 VAL 22 -4.488 3.483 -2.358 150 2HG2 VAL 22 2HG2 VAL 22 -4.691 4.767 -1.167 151 3HG2 VAL 22 3HG2 VAL 22 -5.334 3.156 -0.845 152 H CYS 23 H CYS 23 -1.429 0.431 -1.007 153 HA CYS 23 HA CYS 23 0.075 0.166 1.449 154 1HB CYS 23 2HB CYS 23 0.773 -0.709 -1.362 155 2HB CYS 23 1HB CYS 23 1.519 -1.277 0.127 156 H THR 24 H THR 24 1.589 1.494 2.099 157 HA THR 24 HA THR 24 2.924 3.229 0.133 158 HB THR 24 HB THR 24 3.085 4.868 2.128 159 HG1 THR 24 1HG THR 24 2.308 3.667 3.814 160 1HG2 THR 24 1HG2 THR 24 0.314 5.092 1.612 161 2HG2 THR 24 2HG2 THR 24 1.058 4.443 0.149 162 3HG2 THR 24 3HG2 THR 24 1.637 5.962 0.831 163 H LYS 25 H LYS 25 5.097 3.031 0.132 164 HA LYS 25 HA LYS 25 6.353 1.376 2.156 165 1HB LYS 25 2HB LYS 25 8.260 1.310 0.784 166 2HB LYS 25 1HB LYS 25 6.925 1.349 -0.360 167 1HG LYS 25 2HG LYS 25 7.576 3.302 -1.226 168 2HG LYS 25 1HG LYS 25 7.893 4.004 0.360 169 1HD LYS 25 2HD LYS 25 9.729 2.114 -1.118 170 2HD LYS 25 1HD LYS 25 9.924 3.865 -1.030 171 1HE LYS 25 2HE LYS 25 9.958 1.978 1.329 172 2HE LYS 25 1HE LYS 25 11.382 2.672 0.560 173 1HZ LYS 25 1HZ LYS 25 9.499 3.880 2.409 174 2HZ LYS 25 2HZ LYS 25 9.972 4.873 1.125 175 3HZ LYS 25 3HZ LYS 25 11.136 4.221 2.157 176 H ASP 26 H ASP 26 5.749 4.640 1.620 177 HA ASP 26 HA ASP 26 7.345 5.440 3.906 178 1HB ASP 26 2HB ASP 26 8.604 5.580 1.527 179 2HB ASP 26 1HB ASP 26 7.717 7.097 1.454 180 H GLY 27 H GLY 27 7.165 8.250 3.164 181 1HA GLY 27 2HA GLY 27 4.502 8.805 4.027 182 2HA GLY 27 1HA GLY 27 5.668 9.988 3.436 183 H SER 28 H SER 28 6.074 8.530 0.955 184 HA SER 28 HA SER 28 3.638 9.370 -0.444 185 1HB SER 28 2HB SER 28 6.429 8.952 -1.544 186 2HB SER 28 1HB SER 28 5.050 9.618 -2.419 187 HG SER 28 HG SER 28 5.563 10.910 -0.065 188 H VAL 29 H VAL 29 2.770 8.047 -2.086 189 HA VAL 29 HA VAL 29 2.812 5.250 -1.535 190 HB VAL 29 HB VAL 29 1.619 6.551 -3.980 191 1HG1 VAL 29 1HG1 VAL 29 0.288 4.701 -4.195 192 2HG1 VAL 29 2HG1 VAL 29 0.349 4.320 -2.473 193 3HG1 VAL 29 3HG1 VAL 29 1.735 3.964 -3.505 194 1HG2 VAL 29 1HG2 VAL 29 0.865 7.871 -2.129 195 2HG2 VAL 29 2HG2 VAL 29 0.480 6.427 -1.193 196 3HG2 VAL 29 3HG2 VAL 29 -0.458 6.819 -2.634 197 H LEU 30 H LEU 30 4.964 7.110 -3.156 198 HA LEU 30 HA LEU 30 5.560 5.884 -5.548 199 1HB LEU 30 2HB LEU 30 7.482 7.054 -3.539 200 2HB LEU 30 1HB LEU 30 7.866 6.704 -5.213 201 HG LEU 30 HG LEU 30 5.823 8.718 -4.270 202 1HD1 LEU 30 1HD1 LEU 30 8.378 9.134 -3.996 203 2HD1 LEU 30 2HD1 LEU 30 7.350 10.390 -4.683 204 3HD1 LEU 30 3HD1 LEU 30 8.333 9.378 -5.742 205 1HD2 LEU 30 1HD2 LEU 30 6.125 9.377 -6.784 206 2HD2 LEU 30 2HD2 LEU 30 5.004 8.097 -6.326 207 3HD2 LEU 30 3HD2 LEU 30 6.599 7.688 -6.959 208 H ASN 31 H ASN 31 6.937 4.285 -6.201 209 HA ASN 31 HA ASN 31 8.108 2.353 -6.217 210 1HB ASN 31 2HB ASN 31 8.402 2.811 -3.243 211 2HB ASN 31 1HB ASN 31 9.153 1.480 -4.116 212 1HD2 ASN 31 1HD2 ASN 31 11.152 1.806 -4.763 213 2HD2 ASN 31 2HD2 ASN 31 11.898 3.340 -5.029 Start of MODEL 20 1 H CYS 1 H CYS 1 6.096 3.019 -3.131 2 HA CYS 1 HA CYS 1 5.979 0.162 -3.438 3 1HB CYS 1 2HB CYS 1 4.244 2.130 -1.951 4 2HB CYS 1 1HB CYS 1 3.893 0.406 -2.008 5 H GLY 2 H GLY 2 3.450 2.651 -3.949 6 1HA GLY 2 2HA GLY 2 1.710 2.739 -5.452 7 2HA GLY 2 1HA GLY 2 2.816 1.973 -6.583 8 H GLU 3 H GLU 3 1.791 0.555 -3.571 9 HA GLU 3 HA GLU 3 0.380 -1.550 -5.064 10 1HB GLU 3 2HB GLU 3 2.515 -2.145 -3.846 11 2HB GLU 3 1HB GLU 3 1.682 -1.781 -2.346 12 1HG GLU 3 2HG GLU 3 0.020 -3.532 -2.925 13 2HG GLU 3 1HG GLU 3 1.012 -3.940 -4.319 14 H THR 4 H THR 4 -1.320 -2.661 -3.745 15 HA THR 4 HA THR 4 -2.639 -0.859 -1.847 16 HB THR 4 HB THR 4 -4.849 -1.602 -2.827 17 HG1 THR 4 1HG THR 4 -3.325 -2.095 -5.175 18 1HG2 THR 4 1HG2 THR 4 -4.377 -0.025 -4.956 19 2HG2 THR 4 2HG2 THR 4 -2.951 0.348 -3.987 20 3HG2 THR 4 3HG2 THR 4 -4.564 0.595 -3.316 21 H CYS 5 H CYS 5 -3.857 -1.862 -0.265 22 HA CYS 5 HA CYS 5 -3.162 -4.667 0.134 23 1HB CYS 5 2HB CYS 5 -4.675 -3.038 2.146 24 2HB CYS 5 1HB CYS 5 -3.569 -4.373 2.407 25 H LEU 6 H LEU 6 -4.797 -4.680 -1.851 26 HA LEU 6 HA LEU 6 -7.554 -4.568 -1.323 27 1HB LEU 6 2HB LEU 6 -7.886 -5.833 -3.354 28 2HB LEU 6 1HB LEU 6 -6.644 -4.626 -3.604 29 HG LEU 6 HG LEU 6 -5.910 -7.472 -2.970 30 1HD1 LEU 6 1HD1 LEU 6 -6.915 -6.327 -5.529 31 2HD1 LEU 6 2HD1 LEU 6 -7.158 -7.931 -4.838 32 3HD1 LEU 6 3HD1 LEU 6 -5.612 -7.516 -5.577 33 1HD2 LEU 6 1HD2 LEU 6 -3.811 -6.902 -3.640 34 2HD2 LEU 6 2HD2 LEU 6 -4.350 -5.319 -3.080 35 3HD2 LEU 6 3HD2 LEU 6 -4.387 -5.705 -4.801 36 H LEU 7 H LEU 7 -5.185 -7.079 -0.837 37 HA LEU 7 HA LEU 7 -7.071 -9.142 -0.178 38 1HB LEU 7 2HB LEU 7 -4.712 -9.481 -1.049 39 2HB LEU 7 1HB LEU 7 -4.144 -9.008 0.537 40 HG LEU 7 HG LEU 7 -5.375 -10.924 1.520 41 1HD1 LEU 7 1HD1 LEU 7 -7.119 -11.364 0.027 42 2HD1 LEU 7 2HD1 LEU 7 -6.017 -12.730 -0.166 43 3HD1 LEU 7 3HD1 LEU 7 -6.034 -11.433 -1.361 44 1HD2 LEU 7 1HD2 LEU 7 -3.827 -12.637 0.750 45 2HD2 LEU 7 2HD2 LEU 7 -2.998 -11.095 0.959 46 3HD2 LEU 7 3HD2 LEU 7 -3.423 -11.656 -0.659 47 H GLY 8 H GLY 8 -5.636 -6.489 1.420 48 1HA GLY 8 2HA GLY 8 -6.883 -5.990 3.567 49 2HA GLY 8 1HA GLY 8 -6.339 -7.592 4.060 50 H THR 9 H THR 9 -3.784 -7.315 2.677 51 HA THR 9 HA THR 9 -2.455 -5.104 3.994 52 HB THR 9 HB THR 9 -1.611 -7.948 4.637 53 HG1 THR 9 1HG THR 9 -3.488 -6.316 5.796 54 1HG2 THR 9 1HG2 THR 9 0.098 -6.025 4.622 55 2HG2 THR 9 2HG2 THR 9 0.003 -7.028 6.069 56 3HG2 THR 9 3HG2 THR 9 -0.754 -5.436 6.049 57 H CYS 10 H CYS 10 -0.328 -4.768 3.202 58 HA CYS 10 HA CYS 10 0.050 -5.227 0.484 59 1HB CYS 10 2HB CYS 10 2.232 -4.600 2.472 60 2HB CYS 10 1HB CYS 10 2.225 -4.243 0.750 61 H TYR 11 H TYR 11 1.347 -6.512 -0.693 62 HA TYR 11 HA TYR 11 1.987 -9.099 0.462 63 1HB TYR 11 2HB TYR 11 2.402 -8.115 -2.375 64 2HB TYR 11 1HB TYR 11 2.461 -9.783 -1.828 65 HD1 TYR 11 1HD TYR 11 0.578 -11.107 -2.081 66 HD2 TYR 11 2HD TYR 11 0.107 -6.879 -1.971 67 HE1 TYR 11 1HE TYR 11 -1.807 -11.361 -2.623 68 HE2 TYR 11 2HE TYR 11 -2.278 -7.124 -2.504 69 HH TYR 11 HH TYR 11 -3.622 -9.518 -3.846 70 H THR 12 H THR 12 3.542 -6.210 -0.706 71 HA THR 12 HA THR 12 6.196 -7.390 -0.479 72 HB THR 12 HB THR 12 5.659 -4.505 -1.085 73 HG1 THR 12 1HG THR 12 4.490 -5.328 -2.711 74 1HG2 THR 12 1HG2 THR 12 7.980 -5.955 -0.816 75 2HG2 THR 12 2HG2 THR 12 7.821 -4.418 -1.666 76 3HG2 THR 12 3HG2 THR 12 7.726 -5.934 -2.561 77 H THR 13 H THR 13 7.753 -6.697 0.920 78 HA THR 13 HA THR 13 6.808 -5.691 3.458 79 HB THR 13 HB THR 13 9.234 -6.127 4.133 80 HG1 THR 13 1HG THR 13 9.982 -6.099 1.886 81 1HG2 THR 13 1HG2 THR 13 8.451 -8.086 4.861 82 2HG2 THR 13 2HG2 THR 13 8.446 -8.747 3.226 83 3HG2 THR 13 3HG2 THR 13 7.047 -7.854 3.819 84 H GLY 14 H GLY 14 7.354 -3.775 4.392 85 1HA GLY 14 2HA GLY 14 8.818 -1.866 4.578 86 2HA GLY 14 1HA GLY 14 9.105 -1.968 2.850 87 H CYS 15 H CYS 15 6.248 -2.550 2.458 88 HA CYS 15 HA CYS 15 5.346 0.220 2.379 89 1HB CYS 15 2HB CYS 15 4.114 -2.265 1.164 90 2HB CYS 15 1HB CYS 15 3.601 -0.605 0.866 91 H THR 16 H THR 16 3.491 0.964 3.391 92 HA THR 16 HA THR 16 2.364 -0.859 5.411 93 HB THR 16 HB THR 16 1.841 1.222 6.717 94 HG1 THR 16 1HG THR 16 3.694 2.496 4.969 95 1HG2 THR 16 1HG2 THR 16 3.658 0.209 7.655 96 2HG2 THR 16 2HG2 THR 16 4.430 1.700 7.116 97 3HG2 THR 16 3HG2 THR 16 4.583 0.230 6.153 98 H CYS 17 H CYS 17 0.109 -0.707 5.835 99 HA CYS 17 HA CYS 17 -1.394 0.072 3.487 100 1HB CYS 17 2HB CYS 17 -2.160 -1.400 6.010 101 2HB CYS 17 1HB CYS 17 -3.315 -0.986 4.746 102 H ASN 18 H ASN 18 -2.128 2.047 3.288 103 HA ASN 18 HA ASN 18 -2.683 3.631 5.679 104 1HB ASN 18 2HB ASN 18 -2.222 5.472 4.447 105 2HB ASN 18 1HB ASN 18 -1.518 4.346 3.298 106 1HD2 ASN 18 1HD2 ASN 18 -2.270 4.341 1.314 107 2HD2 ASN 18 2HD2 ASN 18 -3.704 5.144 0.777 108 H LYS 19 H LYS 19 -4.712 4.624 5.972 109 HA LYS 19 HA LYS 19 -6.879 3.118 6.109 110 1HB LYS 19 2HB LYS 19 -8.248 5.294 5.990 111 2HB LYS 19 1HB LYS 19 -7.021 5.122 7.235 112 1HG LYS 19 2HG LYS 19 -6.668 7.269 6.492 113 2HG LYS 19 1HG LYS 19 -5.489 6.359 5.548 114 1HD LYS 19 2HD LYS 19 -7.043 6.326 3.651 115 2HD LYS 19 1HD LYS 19 -8.213 7.247 4.600 116 1HE LYS 19 2HE LYS 19 -6.615 9.093 4.776 117 2HE LYS 19 1HE LYS 19 -5.446 8.171 3.830 118 1HZ LYS 19 1HZ LYS 19 -8.130 8.854 2.787 119 2HZ LYS 19 2HZ LYS 19 -6.774 8.330 1.923 120 3HZ LYS 19 3HZ LYS 19 -6.801 9.882 2.595 121 H TYR 20 H TYR 20 -5.983 4.721 3.119 122 HA TYR 20 HA TYR 20 -8.527 4.061 1.876 123 1HB TYR 20 2HB TYR 20 -7.128 6.107 1.299 124 2HB TYR 20 1HB TYR 20 -6.011 5.011 0.495 125 HD1 TYR 20 1HD TYR 20 -9.741 5.003 0.525 126 HD2 TYR 20 2HD TYR 20 -6.195 5.505 -1.771 127 HE1 TYR 20 1HE TYR 20 -11.094 5.135 -1.524 128 HE2 TYR 20 2HE TYR 20 -7.538 5.640 -3.827 129 HH TYR 20 HH TYR 20 -9.664 5.942 -4.625 130 H ARG 21 H ARG 21 -6.633 2.064 3.017 131 HA ARG 21 HA ARG 21 -5.723 0.057 2.687 132 1HB ARG 21 2HB ARG 21 -7.002 -1.552 1.473 133 2HB ARG 21 1HB ARG 21 -8.140 -0.418 2.177 134 1HG ARG 21 2HG ARG 21 -8.177 0.731 -0.082 135 2HG ARG 21 1HG ARG 21 -7.309 -0.676 -0.696 136 1HD ARG 21 2HD ARG 21 -9.695 -0.919 -1.072 137 2HD ARG 21 1HD ARG 21 -9.122 -2.127 0.077 138 HE ARG 21 HE ARG 21 -10.566 -1.261 1.599 139 1HH1 ARG 21 1HH1 ARG 21 -9.900 1.240 -0.765 140 2HH1 ARG 21 2HH1 ARG 21 -10.984 2.386 -0.051 141 1HH2 ARG 21 1HH2 ARG 21 -11.993 0.255 2.551 142 2HH2 ARG 21 2HH2 ARG 21 -12.174 1.825 1.843 143 H VAL 22 H VAL 22 -4.366 2.080 1.573 144 HA VAL 22 HA VAL 22 -3.242 0.766 -0.837 145 HB VAL 22 HB VAL 22 -3.368 3.733 -0.287 146 1HG1 VAL 22 1HG1 VAL 22 -1.759 4.120 -1.779 147 2HG1 VAL 22 2HG1 VAL 22 -2.425 2.945 -2.914 148 3HG1 VAL 22 3HG1 VAL 22 -1.347 2.412 -1.624 149 1HG2 VAL 22 1HG2 VAL 22 -5.291 2.167 -1.374 150 2HG2 VAL 22 2HG2 VAL 22 -4.384 2.638 -2.811 151 3HG2 VAL 22 3HG2 VAL 22 -5.062 3.874 -1.752 152 H CYS 23 H CYS 23 -1.158 0.309 -0.862 153 HA CYS 23 HA CYS 23 0.376 0.509 1.548 154 1HB CYS 23 2HB CYS 23 1.144 -0.429 -1.222 155 2HB CYS 23 1HB CYS 23 2.092 -0.684 0.235 156 H THR 24 H THR 24 1.656 2.041 2.131 157 HA THR 24 HA THR 24 2.813 3.831 0.112 158 HB THR 24 HB THR 24 1.001 5.033 1.203 159 HG1 THR 24 1HG THR 24 2.841 6.411 2.563 160 1HG2 THR 24 1HG2 THR 24 1.900 5.415 3.836 161 2HG2 THR 24 2HG2 THR 24 1.943 3.674 3.552 162 3HG2 THR 24 3HG2 THR 24 0.444 4.572 3.306 163 H LYS 25 H LYS 25 4.913 4.518 0.518 164 HA LYS 25 HA LYS 25 6.480 2.749 2.137 165 1HB LYS 25 2HB LYS 25 7.203 3.721 -0.072 166 2HB LYS 25 1HB LYS 25 7.374 5.274 0.734 167 1HG LYS 25 2HG LYS 25 9.023 4.234 2.268 168 2HG LYS 25 1HG LYS 25 8.914 2.755 1.311 169 1HD LYS 25 2HD LYS 25 9.557 4.140 -0.692 170 2HD LYS 25 1HD LYS 25 9.904 5.460 0.429 171 1HE LYS 25 2HE LYS 25 11.945 4.273 -0.083 172 2HE LYS 25 1HE LYS 25 11.505 3.998 1.603 173 1HZ LYS 25 1HZ LYS 25 12.150 1.927 0.679 174 2HZ LYS 25 2HZ LYS 25 11.155 2.132 -0.677 175 3HZ LYS 25 3HZ LYS 25 10.468 1.878 0.851 176 H ASP 26 H ASP 26 5.394 6.043 2.297 177 HA ASP 26 HA ASP 26 5.601 6.233 5.117 178 1HB ASP 26 2HB ASP 26 8.022 6.552 4.433 179 2HB ASP 26 1HB ASP 26 7.520 7.985 3.545 180 H GLY 27 H GLY 27 6.251 9.280 4.026 181 1HA GLY 27 2HA GLY 27 3.436 9.978 3.966 182 2HA GLY 27 1HA GLY 27 4.792 11.098 3.913 183 H SER 28 H SER 28 4.626 8.371 1.784 184 HA SER 28 HA SER 28 3.429 9.751 -0.424 185 1HB SER 28 2HB SER 28 6.408 9.186 -0.461 186 2HB SER 28 1HB SER 28 5.458 9.628 -1.877 187 HG SER 28 HG SER 28 5.095 11.353 0.208 188 H VAL 29 H VAL 29 2.538 8.297 -1.750 189 HA VAL 29 HA VAL 29 2.699 5.512 -1.178 190 HB VAL 29 HB VAL 29 1.428 6.830 -3.585 191 1HG1 VAL 29 1HG1 VAL 29 1.776 4.253 -3.404 192 2HG1 VAL 29 2HG1 VAL 29 0.222 4.898 -3.935 193 3HG1 VAL 29 3HG1 VAL 29 0.426 4.342 -2.273 194 1HG2 VAL 29 1HG2 VAL 29 -0.454 7.329 -2.380 195 2HG2 VAL 29 2HG2 VAL 29 0.788 7.607 -1.159 196 3HG2 VAL 29 3HG2 VAL 29 -0.132 6.101 -1.157 197 H LEU 30 H LEU 30 4.583 7.561 -3.005 198 HA LEU 30 HA LEU 30 5.321 6.176 -5.272 199 1HB LEU 30 2HB LEU 30 6.887 8.008 -3.474 200 2HB LEU 30 1HB LEU 30 7.591 7.319 -4.923 201 HG LEU 30 HG LEU 30 5.693 8.391 -6.220 202 1HD1 LEU 30 1HD1 LEU 30 5.333 10.315 -4.000 203 2HD1 LEU 30 2HD1 LEU 30 4.472 8.780 -3.887 204 3HD1 LEU 30 3HD1 LEU 30 4.219 9.833 -5.280 205 1HD2 LEU 30 1HD2 LEU 30 7.393 9.735 -6.697 206 2HD2 LEU 30 2HD2 LEU 30 8.072 9.551 -5.081 207 3HD2 LEU 30 3HD2 LEU 30 6.848 10.783 -5.387 208 H ASN 31 H ASN 31 7.148 4.911 -5.778 209 HA ASN 31 HA ASN 31 8.701 3.269 -5.557 210 1HB ASN 31 2HB ASN 31 9.576 4.478 -3.557 211 2HB ASN 31 1HB ASN 31 8.444 3.579 -2.556 212 1HD2 ASN 31 1HD2 ASN 31 9.511 1.591 -5.032 213 2HD2 ASN 31 2HD2 ASN 31 10.784 0.789 -4.182
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