NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
569227 | 2m9o | 19304 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 3.082 5.954 5.456 2 HA2 GLY 1 2HA GLY 1 2.322 7.950 4.581 3 HA3 GLY 1 1HA GLY 1 3.762 8.729 5.207 4 H LEU 2 H LEU 2 4.304 5.980 3.205 5 HA LEU 2 HA LEU 2 4.668 7.685 0.842 6 HB2 LEU 2 2HB LEU 2 6.702 5.765 1.982 7 HB3 LEU 2 1HB LEU 2 6.815 6.482 0.388 8 HG LEU 2 HG LEU 2 6.811 8.049 2.970 9 HD11 LEU 2 1HD1 LEU 2 9.262 8.410 1.920 10 HD12 LEU 2 2HD1 LEU 2 8.954 6.746 1.423 11 HD13 LEU 2 3HD1 LEU 2 8.887 7.183 3.131 12 HD21 LEU 2 3HD2 LEU 2 7.631 9.000 0.242 13 HD22 LEU 2 1HD2 LEU 2 7.269 9.954 1.682 14 HD23 LEU 2 2HD2 LEU 2 5.969 9.135 0.816 15 HA PRO 3 HA PRO 3 2.537 4.113 -0.825 16 HB2 PRO 3 2HB PRO 3 2.037 5.137 -3.254 17 HB3 PRO 3 1HB PRO 3 1.176 5.698 -1.816 18 HG2 PRO 3 2HG PRO 3 3.476 6.956 -3.257 19 HG3 PRO 3 1HG PRO 3 2.025 7.718 -2.584 20 HD2 PRO 3 2HD PRO 3 4.464 7.686 -1.328 21 HD3 PRO 3 1HD PRO 3 2.912 7.826 -0.479 22 H VAL 4 H VAL 4 5.306 3.852 -0.673 23 HA VAL 4 HA VAL 4 6.143 3.131 -3.392 24 HB VAL 4 HB VAL 4 8.413 2.878 -2.359 25 HG11 VAL 4 1HG1 VAL 4 7.468 5.673 -1.915 26 HG12 VAL 4 2HG1 VAL 4 7.358 4.967 -3.526 27 HG13 VAL 4 3HG1 VAL 4 8.925 5.096 -2.726 28 HG21 VAL 4 3HG2 VAL 4 7.556 4.585 -0.091 29 HG22 VAL 4 1HG2 VAL 4 8.876 3.418 -0.196 30 HG23 VAL 4 2HG2 VAL 4 7.218 2.856 0.018 31 H CYS 5 H CYS 5 4.306 1.469 -2.076 32 HA CYS 5 HA CYS 5 5.815 -0.841 -1.151 33 HB2 CYS 5 2HB CYS 5 2.825 -0.650 -1.550 34 HB3 CYS 5 1HB CYS 5 3.709 -1.838 -0.586 35 H GLY 6 H GLY 6 3.998 0.266 -3.914 36 HA2 GLY 6 2HA GLY 6 4.101 -0.467 -6.105 37 HA3 GLY 6 1HA GLY 6 5.192 -1.745 -5.588 38 H GLU 7 H GLU 7 2.094 -1.227 -4.089 39 HA GLU 7 HA GLU 7 0.955 -3.510 -5.535 40 HB2 GLU 7 2HB GLU 7 0.820 -3.135 -2.540 41 HB3 GLU 7 1HB GLU 7 0.028 -4.404 -3.453 42 HG2 GLU 7 2HG GLU 7 2.243 -5.259 -4.119 43 HG3 GLU 7 1HG GLU 7 2.989 -4.029 -3.095 44 H THR 8 H THR 8 -1.337 -3.589 -5.492 45 HA THR 8 HA THR 8 -2.555 -0.961 -5.050 46 HB THR 8 HB THR 8 -4.430 -1.865 -6.470 47 HG1 THR 8 1HG THR 8 -2.851 -3.703 -7.729 48 HG21 THR 8 3HG2 THR 8 -3.301 -0.473 -7.828 49 HG22 THR 8 1HG2 THR 8 -2.673 -1.946 -8.566 50 HG23 THR 8 2HG2 THR 8 -1.733 -1.108 -7.333 51 H CYS 9 H CYS 9 -4.422 -0.786 -3.794 52 HA CYS 9 HA CYS 9 -5.084 -3.233 -2.289 53 HB2 CYS 9 2HB CYS 9 -3.897 -1.346 -1.011 54 HB3 CYS 9 1HB CYS 9 -5.423 -0.476 -1.147 55 H THR 10 H THR 10 -6.405 -2.605 -4.660 56 HA THR 10 HA THR 10 -8.852 -1.244 -4.047 57 HB THR 10 HB THR 10 -7.987 -1.368 -6.366 58 HG1 THR 10 1HG THR 10 -10.570 -2.404 -5.791 59 HG21 THR 10 3HG2 THR 10 -8.997 -3.872 -7.199 60 HG22 THR 10 1HG2 THR 10 -7.933 -4.177 -5.825 61 HG23 THR 10 2HG2 THR 10 -7.325 -3.310 -7.236 62 H LEU 11 H LEU 11 -7.597 -4.428 -3.792 63 HA LEU 11 HA LEU 11 -10.140 -5.713 -3.357 64 HB2 LEU 11 2HB LEU 11 -8.914 -7.733 -3.031 65 HB3 LEU 11 1HB LEU 11 -8.219 -6.900 -4.404 66 HG LEU 11 HG LEU 11 -7.003 -6.742 -1.648 67 HD11 LEU 11 1HD1 LEU 11 -5.824 -8.519 -3.697 68 HD12 LEU 11 2HD1 LEU 11 -7.274 -9.098 -2.876 69 HD13 LEU 11 3HD1 LEU 11 -5.843 -8.666 -1.941 70 HD21 LEU 11 3HD2 LEU 11 -5.095 -5.910 -2.713 71 HD22 LEU 11 1HD2 LEU 11 -6.428 -5.085 -3.520 72 HD23 LEU 11 2HD2 LEU 11 -5.633 -6.451 -4.303 73 H GLY 12 H GLY 12 -7.820 -4.005 -1.483 74 HA2 GLY 12 2HA GLY 12 -8.180 -3.285 0.724 75 HA3 GLY 12 1HA GLY 12 -9.374 -4.559 0.921 76 H THR 13 H THR 13 -6.022 -4.742 -0.176 77 HA THR 13 HA THR 13 -5.117 -5.950 2.278 78 HB THR 13 HB THR 13 -4.758 -7.642 -0.175 79 HG1 THR 13 1HG THR 13 -7.072 -7.345 1.341 80 HG21 THR 13 3HG2 THR 13 -3.830 -7.760 2.458 81 HG22 THR 13 1HG2 THR 13 -3.700 -9.014 1.224 82 HG23 THR 13 2HG2 THR 13 -5.066 -9.013 2.341 83 H CYS 14 H CYS 14 -2.839 -6.172 2.330 84 HA CYS 14 HA CYS 14 -1.254 -5.230 0.094 85 HB2 CYS 14 2HB CYS 14 -1.150 -3.915 2.829 86 HB3 CYS 14 1HB CYS 14 -0.018 -3.616 1.518 87 H TYR 15 H TYR 15 0.499 -6.471 -0.031 88 HA TYR 15 HA TYR 15 1.033 -8.338 2.136 89 HB2 TYR 15 2HB TYR 15 2.164 -8.195 -0.666 90 HB3 TYR 15 1HB TYR 15 2.532 -9.455 0.503 91 HD1 TYR 15 1HD TYR 15 -0.486 -7.856 -1.047 92 HD2 TYR 15 2HD TYR 15 1.379 -11.433 0.304 93 HE1 TYR 15 1HE TYR 15 -2.418 -9.153 -1.836 94 HE2 TYR 15 2HE TYR 15 -0.550 -12.740 -0.483 95 HH TYR 15 HH TYR 15 -3.166 -11.242 -2.300 96 H THR 16 H THR 16 2.294 -5.426 0.850 97 HA THR 16 HA THR 16 4.998 -5.795 1.585 98 HB THR 16 HB THR 16 4.833 -3.157 1.600 99 HG1 THR 16 1HG THR 16 2.625 -4.007 -0.039 100 HG21 THR 16 3HG2 THR 16 6.212 -4.227 0.033 101 HG22 THR 16 1HG2 THR 16 5.050 -3.342 -0.956 102 HG23 THR 16 2HG2 THR 16 4.860 -5.078 -0.712 103 H GLN 17 H GLN 17 6.157 -4.719 3.240 104 HA GLN 17 HA GLN 17 4.844 -4.953 5.790 105 HB2 GLN 17 2HB GLN 17 7.099 -5.842 5.444 106 HB3 GLN 17 1HB GLN 17 7.697 -4.218 5.143 107 HG2 GLN 17 2HG GLN 17 7.070 -3.584 7.430 108 HG3 GLN 17 1HG GLN 17 6.527 -5.235 7.722 109 HE21 GLN 17 1HE2 GLN 17 8.963 -3.199 8.303 110 HE22 GLN 17 2HE2 GLN 17 10.277 -4.311 8.428 111 H GLY 18 H GLY 18 4.236 -3.436 7.138 112 HA2 GLY 18 2HA GLY 18 3.807 -1.379 8.067 113 HA3 GLY 18 1HA GLY 18 5.239 -0.788 7.238 114 H CYS 19 H CYS 19 3.099 -2.202 5.102 115 HA CYS 19 HA CYS 19 2.364 0.386 4.046 116 HB2 CYS 19 2HB CYS 19 2.198 -2.428 2.999 117 HB3 CYS 19 1HB CYS 19 1.503 -1.073 2.124 118 H THR 20 H THR 20 0.404 1.242 4.023 119 HA THR 20 HA THR 20 -1.741 -0.247 5.377 120 HB THR 20 HB THR 20 -2.701 2.050 5.841 121 HG1 THR 20 1HG THR 20 -0.098 2.837 4.956 122 HG21 THR 20 3HG2 THR 20 -1.817 1.689 7.851 123 HG22 THR 20 1HG2 THR 20 -0.290 2.383 7.304 124 HG23 THR 20 2HG2 THR 20 -0.584 0.653 7.133 125 H CYS 21 H CYS 21 -3.770 -0.312 4.473 126 HA CYS 21 HA CYS 21 -3.942 -0.182 1.680 127 HB2 CYS 21 2HB CYS 21 -5.405 -1.547 3.258 128 HB3 CYS 21 1HB CYS 21 -6.315 -0.064 3.539 129 H SER 22 H SER 22 -4.007 1.510 0.450 130 HA SER 22 HA SER 22 -5.521 3.882 1.274 131 HB2 SER 22 2HB SER 22 -2.830 4.055 -0.098 132 HB3 SER 22 1HB SER 22 -3.747 5.357 0.660 133 HG SER 22 HG SER 22 -2.871 3.130 2.159 134 H TRP 23 H TRP 23 -6.994 2.637 -0.132 135 HA TRP 23 HA TRP 23 -6.823 1.783 -2.631 136 HB2 TRP 23 2HB TRP 23 -8.926 1.989 -1.281 137 HB3 TRP 23 1HB TRP 23 -9.038 3.665 -1.811 138 HD1 TRP 23 HD TRP 23 -8.866 0.140 -3.450 139 HE1 TRP 23 1HE TRP 23 -10.317 0.183 -5.576 140 HE3 TRP 23 3HE TRP 23 -10.250 5.062 -3.384 141 HZ2 TRP 23 2HZ TRP 23 -11.844 2.059 -7.030 142 HZ3 TRP 23 3HZ TRP 23 -11.705 5.901 -5.182 143 HH2 TRP 23 HH TRP 23 -12.483 4.429 -6.967 144 HA PRO 24 HA PRO 24 -6.958 1.408 -4.268 145 HB2 PRO 24 2HB PRO 24 -6.103 1.303 -6.824 146 HB3 PRO 24 1HB PRO 24 -7.701 1.906 -6.380 147 HG2 PRO 24 2HG PRO 24 -5.380 3.378 -7.389 148 HG3 PRO 24 1HG PRO 24 -7.074 3.881 -7.306 149 HD2 PRO 24 2HD PRO 24 -4.885 4.501 -5.485 150 HD3 PRO 24 1HD PRO 24 -6.518 5.195 -5.545 151 H ILE 25 H ILE 25 -4.368 2.669 -3.144 152 HA ILE 25 HA ILE 25 -2.602 0.484 -4.056 153 HB ILE 25 HB ILE 25 -0.658 1.913 -3.994 154 HG12 ILE 25 2HG1 ILE 25 -2.611 4.051 -3.125 155 HG13 ILE 25 1HG1 ILE 25 -1.191 3.465 -2.257 156 HG21 ILE 25 1HG2 ILE 25 -2.824 2.255 -5.838 157 HG22 ILE 25 2HG2 ILE 25 -1.086 2.267 -6.139 158 HG23 ILE 25 3HG2 ILE 25 -1.914 3.759 -5.693 159 HD11 ILE 25 3HD1 ILE 25 -1.257 5.743 -3.680 160 HD12 ILE 25 1HD1 ILE 25 -0.670 4.625 -4.910 161 HD13 ILE 25 2HD1 ILE 25 0.207 4.804 -3.390 162 H CYS 26 H CYS 26 -0.444 0.977 -2.475 163 HA CYS 26 HA CYS 26 -1.479 0.850 0.275 164 HB2 CYS 26 2HB CYS 26 0.754 -0.829 -0.903 165 HB3 CYS 26 1HB CYS 26 0.228 -0.856 0.777 166 H LYS 27 H LYS 27 -0.367 2.043 1.754 167 HA LYS 27 HA LYS 27 2.075 3.406 0.812 168 HB2 LYS 27 2HB LYS 27 0.710 5.210 0.735 169 HB3 LYS 27 1HB LYS 27 -0.475 4.492 1.814 170 HG2 LYS 27 2HG LYS 27 0.928 5.074 3.733 171 HG3 LYS 27 1HG LYS 27 2.107 5.801 2.643 172 HD2 LYS 27 2HD LYS 27 0.533 7.418 3.752 173 HD3 LYS 27 1HD LYS 27 0.581 7.505 1.992 174 HE2 LYS 27 2HE LYS 27 -1.711 7.638 2.937 175 HE3 LYS 27 1HE LYS 27 -1.485 6.302 1.813 176 HZ1 LYS 27 3HZ LYS 27 -0.901 5.286 4.312 177 HZ2 LYS 27 1HZ LYS 27 -2.285 4.987 3.382 178 HZ3 LYS 27 2HZ LYS 27 -2.286 6.231 4.531 179 H ARG 28 H ARG 28 3.773 3.104 2.046 180 HA ARG 28 HA ARG 28 3.398 2.180 4.814 181 HB2 ARG 28 2HB ARG 28 5.820 1.482 4.612 182 HB3 ARG 28 1HB ARG 28 4.690 0.600 3.595 183 HG2 ARG 28 2HG ARG 28 5.431 1.659 1.649 184 HG3 ARG 28 1HG ARG 28 6.221 2.955 2.550 185 HD2 ARG 28 2HD ARG 28 7.070 0.065 2.629 186 HD3 ARG 28 1HD ARG 28 7.793 1.284 1.578 187 HE ARG 28 HE ARG 28 7.859 2.253 4.202 188 HH11 ARG 28 1HH1 ARG 28 9.293 -0.312 2.300 189 HH12 ARG 28 2HH1 ARG 28 10.747 -0.372 3.236 190 HH21 ARG 28 1HH2 ARG 28 9.759 2.188 5.438 191 HH22 ARG 28 2HH2 ARG 28 11.017 1.063 5.038 192 H ASN 29 H ASN 29 4.129 3.342 6.473 193 HA ASN 29 HA ASN 29 4.622 5.256 7.599 194 HB2 ASN 29 2HB ASN 29 7.015 5.891 7.507 195 HB3 ASN 29 1HB ASN 29 6.759 4.164 7.688 196 HD21 ASN 29 1HD2 ASN 29 8.002 6.681 5.701 197 HD22 ASN 29 2HD2 ASN 29 8.752 5.671 4.516 Start of MODEL 2 1 H1 GLY 1 H GLY 1 2.839 5.927 5.058 2 HA2 GLY 1 2HA GLY 1 1.636 7.546 3.943 3 HA3 GLY 1 1HA GLY 1 2.714 8.754 4.620 4 H LEU 2 H LEU 2 4.086 6.089 2.875 5 HA LEU 2 HA LEU 2 4.419 7.787 0.495 6 HB2 LEU 2 2HB LEU 2 6.552 6.124 1.843 7 HB3 LEU 2 1HB LEU 2 6.737 6.919 0.293 8 HG LEU 2 HG LEU 2 6.249 8.354 2.905 9 HD11 LEU 2 1HD1 LEU 2 8.703 9.102 2.245 10 HD12 LEU 2 2HD1 LEU 2 8.719 7.504 1.500 11 HD13 LEU 2 3HD1 LEU 2 8.395 7.668 3.226 12 HD21 LEU 2 3HD2 LEU 2 6.960 10.335 1.574 13 HD22 LEU 2 1HD2 LEU 2 5.424 9.638 1.056 14 HD23 LEU 2 2HD2 LEU 2 6.891 9.331 0.127 15 HA PRO 3 HA PRO 3 2.874 4.047 -1.389 16 HB2 PRO 3 2HB PRO 3 3.363 5.371 -3.940 17 HB3 PRO 3 1HB PRO 3 1.827 4.948 -3.182 18 HG2 PRO 3 2HG PRO 3 2.660 7.508 -3.460 19 HG3 PRO 3 1HG PRO 3 1.649 6.970 -2.107 20 HD2 PRO 3 2HD PRO 3 4.607 7.451 -2.188 21 HD3 PRO 3 1HD PRO 3 3.429 7.892 -0.932 22 H VAL 4 H VAL 4 5.540 3.829 -0.625 23 HA VAL 4 HA VAL 4 6.924 2.962 -3.065 24 HB VAL 4 HB VAL 4 8.930 2.773 -1.550 25 HG11 VAL 4 1HG1 VAL 4 9.315 5.245 -1.548 26 HG12 VAL 4 2HG1 VAL 4 7.633 5.448 -2.033 27 HG13 VAL 4 3HG1 VAL 4 8.758 4.596 -3.090 28 HG21 VAL 4 3HG2 VAL 4 7.923 2.713 0.609 29 HG22 VAL 4 1HG2 VAL 4 7.075 4.233 0.318 30 HG23 VAL 4 2HG2 VAL 4 8.831 4.222 0.496 31 H CYS 5 H CYS 5 4.848 1.402 -2.098 32 HA CYS 5 HA CYS 5 6.212 -0.945 -0.977 33 HB2 CYS 5 2HB CYS 5 3.225 -0.550 -1.248 34 HB3 CYS 5 1HB CYS 5 4.066 -1.792 -0.312 35 H GLY 6 H GLY 6 4.361 0.283 -3.655 36 HA2 GLY 6 2HA GLY 6 4.281 -0.432 -5.840 37 HA3 GLY 6 1HA GLY 6 5.378 -1.733 -5.409 38 H GLU 7 H GLU 7 2.311 -1.203 -3.783 39 HA GLU 7 HA GLU 7 1.166 -3.480 -5.239 40 HB2 GLU 7 2HB GLU 7 0.797 -3.153 -2.268 41 HB3 GLU 7 1HB GLU 7 0.361 -4.524 -3.270 42 HG2 GLU 7 2HG GLU 7 2.739 -5.007 -3.629 43 HG3 GLU 7 1HG GLU 7 3.151 -3.667 -2.557 44 H THR 8 H THR 8 -1.033 -3.468 -5.453 45 HA THR 8 HA THR 8 -2.357 -0.936 -4.807 46 HB THR 8 HB THR 8 -4.178 -1.829 -6.326 47 HG1 THR 8 1HG THR 8 -2.764 -3.452 -7.828 48 HG21 THR 8 3HG2 THR 8 -1.419 -1.205 -7.340 49 HG22 THR 8 1HG2 THR 8 -2.831 -0.151 -7.258 50 HG23 THR 8 2HG2 THR 8 -2.772 -1.456 -8.443 51 H CYS 9 H CYS 9 -4.312 -0.983 -3.584 52 HA CYS 9 HA CYS 9 -4.838 -3.615 -2.381 53 HB2 CYS 9 2HB CYS 9 -4.910 -2.762 -0.205 54 HB3 CYS 9 1HB CYS 9 -3.503 -2.005 -0.929 55 H THR 10 H THR 10 -6.298 -2.561 -4.531 56 HA THR 10 HA THR 10 -8.679 -1.289 -3.668 57 HB THR 10 HB THR 10 -7.984 -1.310 -6.032 58 HG1 THR 10 1HG THR 10 -10.537 -2.337 -5.333 59 HG21 THR 10 3HG2 THR 10 -7.150 -3.466 -6.446 60 HG22 THR 10 1HG2 THR 10 -8.653 -3.386 -7.363 61 HG23 THR 10 2HG2 THR 10 -8.606 -4.241 -5.822 62 H LEU 11 H LEU 11 -7.525 -4.515 -3.542 63 HA LEU 11 HA LEU 11 -10.094 -5.758 -3.112 64 HB2 LEU 11 2HB LEU 11 -7.285 -6.805 -2.738 65 HB3 LEU 11 1HB LEU 11 -8.728 -7.762 -2.484 66 HG LEU 11 HG LEU 11 -8.011 -8.413 -4.587 67 HD11 LEU 11 1HD1 LEU 11 -10.293 -8.045 -4.834 68 HD12 LEU 11 2HD1 LEU 11 -9.575 -7.252 -6.237 69 HD13 LEU 11 3HD1 LEU 11 -10.105 -6.291 -4.856 70 HD21 LEU 11 3HD2 LEU 11 -7.169 -6.976 -6.315 71 HD22 LEU 11 1HD2 LEU 11 -6.289 -6.659 -4.821 72 HD23 LEU 11 2HD2 LEU 11 -7.543 -5.542 -5.359 73 H GLY 12 H GLY 12 -7.851 -4.024 -1.253 74 HA2 GLY 12 2HA GLY 12 -8.157 -3.303 0.951 75 HA3 GLY 12 1HA GLY 12 -9.361 -4.561 1.169 76 H THR 13 H THR 13 -5.995 -4.747 0.093 77 HA THR 13 HA THR 13 -5.155 -6.018 2.553 78 HB THR 13 HB THR 13 -4.691 -7.603 0.046 79 HG1 THR 13 1HG THR 13 -7.059 -7.400 1.513 80 HG21 THR 13 3HG2 THR 13 -3.485 -7.946 2.297 81 HG22 THR 13 1HG2 THR 13 -4.155 -9.361 1.485 82 HG23 THR 13 2HG2 THR 13 -5.015 -8.634 2.843 83 H CYS 14 H CYS 14 -2.854 -6.265 2.656 84 HA CYS 14 HA CYS 14 -1.229 -5.169 0.525 85 HB2 CYS 14 2HB CYS 14 -1.275 -4.001 3.323 86 HB3 CYS 14 1HB CYS 14 -0.042 -3.652 2.120 87 H TYR 15 H TYR 15 0.600 -6.284 0.391 88 HA TYR 15 HA TYR 15 1.142 -8.272 2.460 89 HB2 TYR 15 2HB TYR 15 2.126 -8.014 -0.384 90 HB3 TYR 15 1HB TYR 15 2.690 -9.250 0.732 91 HD1 TYR 15 2HD TYR 15 -0.628 -7.895 -0.391 92 HD2 TYR 15 1HD TYR 15 1.761 -11.320 0.424 93 HE1 TYR 15 2HE TYR 15 -2.494 -9.348 -1.060 94 HE2 TYR 15 1HE TYR 15 -0.098 -12.782 -0.247 95 HH TYR 15 HH TYR 15 -2.730 -11.742 -1.959 96 H THR 16 H THR 16 2.459 -5.357 1.112 97 HA THR 16 HA THR 16 5.126 -5.799 1.959 98 HB THR 16 HB THR 16 5.178 -3.207 1.788 99 HG1 THR 16 1HG THR 16 2.821 -3.907 0.297 100 HG21 THR 16 3HG2 THR 16 6.393 -4.461 0.232 101 HG22 THR 16 1HG2 THR 16 5.279 -3.527 -0.767 102 HG23 THR 16 2HG2 THR 16 4.946 -5.225 -0.425 103 H GLN 17 H GLN 17 6.275 -4.771 3.599 104 HA GLN 17 HA GLN 17 4.911 -4.792 6.113 105 HB2 GLN 17 2HB GLN 17 7.130 -4.444 7.089 106 HB3 GLN 17 1HB GLN 17 7.134 -5.747 5.910 107 HG2 GLN 17 2HG GLN 17 8.072 -4.184 4.243 108 HG3 GLN 17 1HG GLN 17 8.154 -2.946 5.495 109 HE21 GLN 17 1HE2 GLN 17 10.008 -2.776 6.524 110 HE22 GLN 17 2HE2 GLN 17 11.215 -4.004 6.654 111 H GLY 18 H GLY 18 4.375 -3.192 7.440 112 HA2 GLY 18 2HA GLY 18 3.933 -1.089 8.235 113 HA3 GLY 18 1HA GLY 18 5.394 -0.565 7.415 114 H CYS 19 H CYS 19 3.249 -2.033 5.310 115 HA CYS 19 HA CYS 19 2.581 0.538 4.149 116 HB2 CYS 19 2HB CYS 19 2.403 -2.296 3.142 117 HB3 CYS 19 1HB CYS 19 1.859 -0.914 2.203 118 H THR 20 H THR 20 0.638 1.401 4.100 119 HA THR 20 HA THR 20 -1.551 -0.076 5.387 120 HB THR 20 HB THR 20 -2.542 2.233 5.727 121 HG1 THR 20 1HG THR 20 0.076 2.959 4.848 122 HG21 THR 20 3HG2 THR 20 -0.039 1.266 7.046 123 HG22 THR 20 1HG2 THR 20 -1.685 1.333 7.677 124 HG23 THR 20 2HG2 THR 20 -0.737 2.812 7.527 125 H CYS 21 H CYS 21 -3.524 -0.231 4.399 126 HA CYS 21 HA CYS 21 -3.541 0.080 1.566 127 HB2 CYS 21 2HB CYS 21 -4.745 -1.777 2.596 128 HB3 CYS 21 1HB CYS 21 -5.790 -0.646 3.452 129 H SER 22 H SER 22 -3.948 1.815 0.514 130 HA SER 22 HA SER 22 -5.933 3.723 1.480 131 HB2 SER 22 2HB SER 22 -3.161 4.453 0.484 132 HB3 SER 22 1HB SER 22 -4.447 5.601 0.865 133 HG SER 22 HG SER 22 -4.116 3.910 2.917 134 H TRP 23 H TRP 23 -7.230 2.699 -0.007 135 HA TRP 23 HA TRP 23 -7.012 1.829 -2.458 136 HB2 TRP 23 2HB TRP 23 -9.158 2.220 -1.175 137 HB3 TRP 23 1HB TRP 23 -9.180 3.838 -1.872 138 HD1 TRP 23 HD TRP 23 -9.003 0.178 -3.166 139 HE1 TRP 23 1HE TRP 23 -10.352 0.040 -5.355 140 HE3 TRP 23 3HE TRP 23 -10.328 5.096 -3.607 141 HZ2 TRP 23 2HZ TRP 23 -11.785 1.788 -7.039 142 HZ3 TRP 23 3HZ TRP 23 -11.688 5.781 -5.540 143 HH2 TRP 23 HH TRP 23 -12.401 4.161 -7.222 144 HA PRO 24 HA PRO 24 -6.848 1.343 -3.938 145 HB2 PRO 24 2HB PRO 24 -6.027 1.084 -6.474 146 HB3 PRO 24 1HB PRO 24 -7.608 1.767 -6.079 147 HG2 PRO 24 2HG PRO 24 -5.226 3.108 -7.152 148 HG3 PRO 24 1HG PRO 24 -6.907 3.660 -7.133 149 HD2 PRO 24 2HD PRO 24 -4.731 4.299 -5.278 150 HD3 PRO 24 1HD PRO 24 -6.319 5.077 -5.453 151 H ILE 25 H ILE 25 -4.257 2.746 -2.897 152 HA ILE 25 HA ILE 25 -2.460 0.546 -3.720 153 HB ILE 25 HB ILE 25 -0.562 1.969 -3.945 154 HG12 ILE 25 2HG1 ILE 25 -2.392 4.197 -3.030 155 HG13 ILE 25 1HG1 ILE 25 -0.965 3.577 -2.199 156 HG21 ILE 25 1HG2 ILE 25 -2.871 2.263 -5.601 157 HG22 ILE 25 2HG2 ILE 25 -1.166 2.278 -6.052 158 HG23 ILE 25 3HG2 ILE 25 -1.966 3.777 -5.578 159 HD11 ILE 25 3HD1 ILE 25 -0.691 5.779 -3.369 160 HD12 ILE 25 1HD1 ILE 25 -0.848 4.906 -4.893 161 HD13 ILE 25 2HD1 ILE 25 0.485 4.537 -3.799 162 H CYS 26 H CYS 26 -0.626 0.193 -2.318 163 HA CYS 26 HA CYS 26 -1.296 0.701 0.491 164 HB2 CYS 26 2HB CYS 26 0.728 -1.207 -0.713 165 HB3 CYS 26 1HB CYS 26 0.318 -1.085 0.995 166 H LYS 27 H LYS 27 -0.062 2.041 1.725 167 HA LYS 27 HA LYS 27 2.540 2.894 0.640 168 HB2 LYS 27 2HB LYS 27 2.045 5.212 1.403 169 HB3 LYS 27 1HB LYS 27 1.054 4.669 0.057 170 HG2 LYS 27 2HG LYS 27 -0.860 4.626 1.302 171 HG3 LYS 27 1HG LYS 27 0.001 4.353 2.819 172 HD2 LYS 27 2HD LYS 27 0.755 6.631 2.865 173 HD3 LYS 27 1HD LYS 27 0.101 6.927 1.254 174 HE2 LYS 27 2HE LYS 27 -1.274 7.797 3.171 175 HE3 LYS 27 1HE LYS 27 -2.123 6.765 2.025 176 HZ1 LYS 27 3HZ LYS 27 -2.564 5.285 3.596 177 HZ2 LYS 27 1HZ LYS 27 -2.082 6.449 4.727 178 HZ3 LYS 27 2HZ LYS 27 -0.979 5.283 4.192 179 H ARG 28 H ARG 28 4.144 3.101 2.044 180 HA ARG 28 HA ARG 28 3.569 2.510 4.865 181 HB2 ARG 28 2HB ARG 28 5.911 1.815 5.037 182 HB3 ARG 28 1HB ARG 28 5.083 0.927 3.772 183 HG2 ARG 28 2HG ARG 28 6.083 2.430 2.096 184 HG3 ARG 28 1HG ARG 28 6.955 3.252 3.389 185 HD2 ARG 28 2HD ARG 28 8.422 1.671 2.322 186 HD3 ARG 28 1HD ARG 28 8.056 1.113 3.953 187 HE ARG 28 HE ARG 28 6.195 -0.115 2.375 188 HH11 ARG 28 1HH1 ARG 28 9.691 0.024 2.398 189 HH12 ARG 28 2HH1 ARG 28 9.890 -1.562 1.731 190 HH21 ARG 28 1HH2 ARG 28 6.442 -2.201 1.507 191 HH22 ARG 28 2HH2 ARG 28 8.028 -2.835 1.218 192 H ASN 29 H ASN 29 4.094 3.910 6.413 193 HA ASN 29 HA ASN 29 4.540 5.921 7.394 194 HB2 ASN 29 2HB ASN 29 6.929 5.733 5.547 195 HB3 ASN 29 1HB ASN 29 6.770 6.930 6.827 196 HD21 ASN 29 1HD2 ASN 29 7.824 6.426 8.593 197 HD22 ASN 29 2HD2 ASN 29 8.118 4.833 9.190 Start of MODEL 3 1 H1 GLY 1 H GLY 1 2.741 5.645 5.392 2 HA2 GLY 1 2HA GLY 1 1.475 7.344 4.488 3 HA3 GLY 1 1HA GLY 1 2.638 8.491 5.128 4 H LEU 2 H LEU 2 4.104 6.087 3.213 5 HA LEU 2 HA LEU 2 4.043 7.876 0.871 6 HB2 LEU 2 2HB LEU 2 6.374 6.252 1.901 7 HB3 LEU 2 1HB LEU 2 6.369 7.173 0.410 8 HG LEU 2 HG LEU 2 6.066 8.364 3.168 9 HD11 LEU 2 1HD1 LEU 2 8.385 7.484 1.737 10 HD12 LEU 2 2HD1 LEU 2 8.272 8.212 3.338 11 HD13 LEU 2 3HD1 LEU 2 8.419 9.239 1.912 12 HD21 LEU 2 3HD2 LEU 2 5.111 9.465 0.958 13 HD22 LEU 2 1HD2 LEU 2 6.799 9.936 0.757 14 HD23 LEU 2 2HD2 LEU 2 5.913 10.424 2.202 15 HA PRO 3 HA PRO 3 2.496 4.115 -0.999 16 HB2 PRO 3 2HB PRO 3 2.078 5.134 -3.465 17 HB3 PRO 3 1HB PRO 3 1.015 5.490 -2.099 18 HG2 PRO 3 2HG PRO 3 3.226 7.142 -3.261 19 HG3 PRO 3 1HG PRO 3 1.611 7.648 -2.732 20 HD2 PRO 3 2HD PRO 3 3.839 7.981 -1.211 21 HD3 PRO 3 1HD PRO 3 2.226 7.727 -0.518 22 H VAL 4 H VAL 4 5.254 4.133 -0.656 23 HA VAL 4 HA VAL 4 6.330 3.544 -3.324 24 HB VAL 4 HB VAL 4 8.547 3.489 -2.140 25 HG11 VAL 4 1HG1 VAL 4 6.958 5.679 -3.004 26 HG12 VAL 4 2HG1 VAL 4 8.713 5.513 -3.042 27 HG13 VAL 4 3HG1 VAL 4 7.924 6.208 -1.627 28 HG21 VAL 4 3HG2 VAL 4 7.750 3.173 0.139 29 HG22 VAL 4 1HG2 VAL 4 6.948 4.743 0.088 30 HG23 VAL 4 2HG2 VAL 4 8.708 4.649 0.016 31 H CYS 5 H CYS 5 4.570 1.720 -2.154 32 HA CYS 5 HA CYS 5 6.250 -0.480 -1.225 33 HB2 CYS 5 2HB CYS 5 3.243 -0.482 -1.538 34 HB3 CYS 5 1HB CYS 5 4.230 -1.617 -0.609 35 H GLY 6 H GLY 6 4.302 0.587 -3.907 36 HA2 GLY 6 2HA GLY 6 4.677 -0.055 -6.139 37 HA3 GLY 6 1HA GLY 6 5.484 -1.504 -5.562 38 H GLU 7 H GLU 7 3.107 -1.883 -3.676 39 HA GLU 7 HA GLU 7 1.572 -3.446 -5.578 40 HB2 GLU 7 2HB GLU 7 0.962 -3.299 -2.650 41 HB3 GLU 7 1HB GLU 7 0.678 -4.615 -3.773 42 HG2 GLU 7 2HG GLU 7 3.045 -5.090 -3.884 43 HG3 GLU 7 1HG GLU 7 3.385 -3.732 -2.810 44 H THR 8 H THR 8 -0.497 -3.204 -6.070 45 HA THR 8 HA THR 8 -1.797 -0.707 -5.280 46 HB THR 8 HB THR 8 -3.432 -1.392 -7.138 47 HG1 THR 8 1HG THR 8 -1.799 -2.755 -8.646 48 HG21 THR 8 3HG2 THR 8 -0.566 -0.649 -7.698 49 HG22 THR 8 1HG2 THR 8 -1.957 0.424 -7.541 50 HG23 THR 8 2HG2 THR 8 -1.818 -0.641 -8.940 51 H CYS 9 H CYS 9 -3.935 -0.782 -4.411 52 HA CYS 9 HA CYS 9 -4.958 -3.435 -3.760 53 HB2 CYS 9 2HB CYS 9 -5.010 -3.088 -1.412 54 HB3 CYS 9 1HB CYS 9 -3.392 -2.649 -1.929 55 H THR 10 H THR 10 -7.039 -3.552 -3.970 56 HA THR 10 HA THR 10 -8.626 -1.082 -3.871 57 HB THR 10 HB THR 10 -8.480 -1.857 -6.183 58 HG1 THR 10 1HG THR 10 -10.901 -1.927 -4.780 59 HG21 THR 10 3HG2 THR 10 -8.063 -4.143 -6.150 60 HG22 THR 10 1HG2 THR 10 -9.741 -4.066 -6.686 61 HG23 THR 10 2HG2 THR 10 -9.369 -4.467 -5.010 62 H LEU 11 H LEU 11 -8.337 -4.466 -3.135 63 HA LEU 11 HA LEU 11 -10.924 -4.658 -1.872 64 HB2 LEU 11 2HB LEU 11 -9.905 -6.598 -2.993 65 HB3 LEU 11 1HB LEU 11 -8.570 -6.553 -1.858 66 HG LEU 11 HG LEU 11 -10.178 -7.033 -0.016 67 HD11 LEU 11 1HD1 LEU 11 -12.409 -7.480 -0.360 68 HD12 LEU 11 2HD1 LEU 11 -12.186 -7.825 -2.075 69 HD13 LEU 11 3HD1 LEU 11 -12.135 -6.160 -1.497 70 HD21 LEU 11 3HD2 LEU 11 -9.056 -8.935 -0.645 71 HD22 LEU 11 1HD2 LEU 11 -9.692 -8.898 -2.290 72 HD23 LEU 11 2HD2 LEU 11 -10.723 -9.418 -0.957 73 H GLY 12 H GLY 12 -7.550 -4.455 -0.898 74 HA2 GLY 12 2HA GLY 12 -7.205 -2.964 1.102 75 HA3 GLY 12 1HA GLY 12 -8.410 -3.983 1.879 76 H THR 13 H THR 13 -5.677 -4.785 -0.216 77 HA THR 13 HA THR 13 -4.555 -6.395 1.973 78 HB THR 13 HB THR 13 -3.787 -7.961 0.082 79 HG1 THR 13 1HG THR 13 -4.307 -7.008 -1.784 80 HG21 THR 13 3HG2 THR 13 -5.317 -9.011 1.410 81 HG22 THR 13 1HG2 THR 13 -6.291 -8.871 -0.053 82 HG23 THR 13 2HG2 THR 13 -6.501 -7.713 1.259 83 H CYS 14 H CYS 14 -2.373 -6.348 2.214 84 HA CYS 14 HA CYS 14 -0.670 -5.174 0.186 85 HB2 CYS 14 2HB CYS 14 -0.794 -4.080 3.012 86 HB3 CYS 14 1HB CYS 14 0.378 -3.616 1.787 87 H TYR 15 H TYR 15 1.105 -6.363 0.069 88 HA TYR 15 HA TYR 15 1.666 -8.262 2.220 89 HB2 TYR 15 2HB TYR 15 2.746 -8.116 -0.604 90 HB3 TYR 15 1HB TYR 15 3.170 -9.354 0.570 91 HD1 TYR 15 2HD TYR 15 0.085 -7.860 -0.955 92 HD2 TYR 15 1HD TYR 15 2.069 -11.368 0.413 93 HE1 TYR 15 2HE TYR 15 -1.815 -9.223 -1.712 94 HE2 TYR 15 1HE TYR 15 0.176 -12.739 -0.348 95 HH TYR 15 HH TYR 15 -1.768 -12.263 -2.326 96 H THR 16 H THR 16 2.819 -5.345 0.846 97 HA THR 16 HA THR 16 5.541 -5.586 1.555 98 HB THR 16 HB THR 16 5.303 -2.966 1.539 99 HG1 THR 16 1HG THR 16 3.032 -3.878 0.026 100 HG21 THR 16 3HG2 THR 16 5.299 -4.905 -0.755 101 HG22 THR 16 1HG2 THR 16 6.645 -3.984 -0.081 102 HG23 THR 16 2HG2 THR 16 5.404 -3.167 -1.031 103 H GLN 17 H GLN 17 6.675 -4.447 3.201 104 HA GLN 17 HA GLN 17 5.386 -4.736 5.756 105 HB2 GLN 17 2HB GLN 17 7.688 -5.493 5.402 106 HB3 GLN 17 1HB GLN 17 8.191 -3.835 5.112 107 HG2 GLN 17 2HG GLN 17 8.793 -4.426 7.338 108 HG3 GLN 17 1HG GLN 17 7.467 -3.269 7.412 109 HE21 GLN 17 1HE2 GLN 17 6.448 -6.344 6.429 110 HE22 GLN 17 2HE2 GLN 17 5.843 -6.892 7.949 111 H GLY 18 H GLY 18 4.656 -3.269 7.073 112 HA2 GLY 18 2HA GLY 18 4.040 -1.254 7.979 113 HA3 GLY 18 1HA GLY 18 5.493 -0.581 7.255 114 H CYS 19 H CYS 19 3.345 -2.118 5.121 115 HA CYS 19 HA CYS 19 2.607 0.465 3.988 116 HB2 CYS 19 2HB CYS 19 2.671 -2.342 2.901 117 HB3 CYS 19 1HB CYS 19 1.939 -1.015 2.010 118 H THR 20 H THR 20 0.580 1.171 3.839 119 HA THR 20 HA THR 20 -1.552 -0.551 4.922 120 HB THR 20 HB THR 20 -2.706 1.599 5.541 121 HG1 THR 20 1HG THR 20 -0.116 2.662 4.946 122 HG21 THR 20 3HG2 THR 20 -1.374 1.966 7.576 123 HG22 THR 20 1HG2 THR 20 -0.044 1.053 6.862 124 HG23 THR 20 2HG2 THR 20 -1.571 0.248 7.228 125 H CYS 21 H CYS 21 -3.412 -0.736 3.764 126 HA CYS 21 HA CYS 21 -3.315 -0.129 1.015 127 HB2 CYS 21 2HB CYS 21 -4.601 -2.033 1.947 128 HB3 CYS 21 1HB CYS 21 -5.748 -0.889 2.641 129 H SER 22 H SER 22 -3.718 1.649 -0.003 130 HA SER 22 HA SER 22 -5.652 3.577 1.064 131 HB2 SER 22 2HB SER 22 -3.014 4.418 -0.149 132 HB3 SER 22 1HB SER 22 -4.165 5.409 0.749 133 HG SER 22 HG SER 22 -2.799 3.192 1.868 134 H TRP 23 H TRP 23 -6.978 2.567 -0.501 135 HA TRP 23 HA TRP 23 -6.808 1.875 -3.004 136 HB2 TRP 23 2HB TRP 23 -8.923 2.311 -1.623 137 HB3 TRP 23 1HB TRP 23 -8.913 3.919 -2.341 138 HD1 TRP 23 HD TRP 23 -8.876 0.239 -3.572 139 HE1 TRP 23 1HE TRP 23 -10.273 0.105 -5.729 140 HE3 TRP 23 3HE TRP 23 -10.036 5.191 -4.090 141 HZ2 TRP 23 2HZ TRP 23 -11.671 1.865 -7.425 142 HZ3 TRP 23 3HZ TRP 23 -11.408 5.883 -6.013 143 HH2 TRP 23 HH TRP 23 -12.207 4.253 -7.647 144 HA PRO 24 HA PRO 24 -6.469 1.472 -4.499 145 HB2 PRO 24 2HB PRO 24 -5.568 1.389 -7.012 146 HB3 PRO 24 1HB PRO 24 -7.174 2.022 -6.634 147 HG2 PRO 24 2HG PRO 24 -4.769 3.463 -7.522 148 HG3 PRO 24 1HG PRO 24 -6.461 3.978 -7.564 149 HD2 PRO 24 2HD PRO 24 -4.404 4.569 -5.569 150 HD3 PRO 24 1HD PRO 24 -6.009 5.306 -5.773 151 H ILE 25 H ILE 25 -4.041 2.715 -3.140 152 HA ILE 25 HA ILE 25 -2.185 0.615 -3.935 153 HB ILE 25 HB ILE 25 -1.361 2.206 -5.403 154 HG12 ILE 25 2HG1 ILE 25 0.346 2.578 -2.939 155 HG13 ILE 25 1HG1 ILE 25 0.391 1.162 -3.985 156 HG21 ILE 25 1HG2 ILE 25 -2.517 4.172 -4.759 157 HG22 ILE 25 2HG2 ILE 25 -0.797 4.556 -4.691 158 HG23 ILE 25 3HG2 ILE 25 -1.687 4.229 -3.205 159 HD11 ILE 25 3HD1 ILE 25 0.818 3.840 -5.202 160 HD12 ILE 25 1HD1 ILE 25 1.470 2.268 -5.666 161 HD13 ILE 25 2HD1 ILE 25 2.117 3.111 -4.257 162 H CYS 26 H CYS 26 -0.587 0.120 -2.480 163 HA CYS 26 HA CYS 26 -1.247 0.729 0.274 164 HB2 CYS 26 2HB CYS 26 0.955 -1.001 -0.876 165 HB3 CYS 26 1HB CYS 26 0.492 -0.926 0.822 166 H LYS 27 H LYS 27 -0.118 2.001 1.671 167 HA LYS 27 HA LYS 27 2.332 3.289 0.648 168 HB2 LYS 27 2HB LYS 27 1.669 5.388 1.588 169 HB3 LYS 27 1HB LYS 27 0.336 4.803 0.603 170 HG2 LYS 27 2HG LYS 27 -0.823 4.046 2.609 171 HG3 LYS 27 1HG LYS 27 0.518 4.613 3.602 172 HD2 LYS 27 2HD LYS 27 0.111 6.907 2.723 173 HD3 LYS 27 1HD LYS 27 -1.322 6.287 1.898 174 HE2 LYS 27 2HE LYS 27 -0.804 6.358 4.867 175 HE3 LYS 27 1HE LYS 27 -2.009 7.283 3.972 176 HZ1 LYS 27 3HZ LYS 27 -2.015 4.430 4.691 177 HZ2 LYS 27 1HZ LYS 27 -2.837 4.927 3.292 178 HZ3 LYS 27 2HZ LYS 27 -3.262 5.571 4.802 179 H ARG 28 H ARG 28 4.040 3.240 1.933 180 HA ARG 28 HA ARG 28 3.694 2.239 4.672 181 HB2 ARG 28 2HB ARG 28 6.126 1.687 4.547 182 HB3 ARG 28 1HB ARG 28 5.132 0.808 3.399 183 HG2 ARG 28 2HG ARG 28 5.808 2.503 1.671 184 HG3 ARG 28 1HG ARG 28 6.966 3.124 2.849 185 HD2 ARG 28 2HD ARG 28 6.869 0.336 1.702 186 HD3 ARG 28 1HD ARG 28 8.068 1.580 1.349 187 HE ARG 28 HE ARG 28 8.004 1.058 4.122 188 HH11 ARG 28 1HH1 ARG 28 9.056 -0.348 1.104 189 HH12 ARG 28 2HH1 ARG 28 10.314 -1.294 1.825 190 HH21 ARG 28 1HH2 ARG 28 9.659 -0.193 5.097 191 HH22 ARG 28 2HH2 ARG 28 10.658 -1.206 4.111 192 H ASN 29 H ASN 29 4.106 3.514 6.308 193 HA ASN 29 HA ASN 29 4.551 5.398 7.513 194 HB2 ASN 29 2HB ASN 29 6.920 4.546 6.713 195 HB3 ASN 29 1HB ASN 29 6.896 6.022 5.754 196 HD21 ASN 29 1HD2 ASN 29 8.029 4.798 8.499 197 HD22 ASN 29 2HD2 ASN 29 8.070 6.212 9.489 Start of MODEL 4 1 H1 GLY 1 H GLY 1 3.211 5.761 5.244 2 HA2 GLY 1 2HA GLY 1 2.028 7.582 4.434 3 HA3 GLY 1 1HA GLY 1 3.330 8.629 4.967 4 H LEU 2 H LEU 2 4.609 6.133 3.106 5 HA LEU 2 HA LEU 2 4.474 7.805 0.678 6 HB2 LEU 2 2HB LEU 2 6.785 6.125 1.658 7 HB3 LEU 2 1HB LEU 2 6.742 6.991 0.135 8 HG LEU 2 HG LEU 2 6.637 8.284 2.861 9 HD11 LEU 2 1HD1 LEU 2 8.857 7.575 1.031 10 HD12 LEU 2 2HD1 LEU 2 8.820 7.659 2.793 11 HD13 LEU 2 3HD1 LEU 2 8.933 9.140 1.840 12 HD21 LEU 2 3HD2 LEU 2 5.488 9.480 0.965 13 HD22 LEU 2 1HD2 LEU 2 7.063 9.581 0.179 14 HD23 LEU 2 2HD2 LEU 2 6.804 10.366 1.736 15 HA PRO 3 HA PRO 3 2.684 4.094 -1.057 16 HB2 PRO 3 2HB PRO 3 2.471 4.984 -3.603 17 HB3 PRO 3 1HB PRO 3 1.391 5.519 -2.310 18 HG2 PRO 3 2HG PRO 3 3.796 6.888 -3.457 19 HG3 PRO 3 1HG PRO 3 2.212 7.570 -3.043 20 HD2 PRO 3 2HD PRO 3 4.378 7.811 -1.431 21 HD3 PRO 3 1HD PRO 3 2.720 7.716 -0.803 22 H VAL 4 H VAL 4 5.384 3.804 -0.605 23 HA VAL 4 HA VAL 4 6.515 2.957 -3.184 24 HB VAL 4 HB VAL 4 8.652 2.726 -1.893 25 HG11 VAL 4 1HG1 VAL 4 8.430 4.616 -3.297 26 HG12 VAL 4 2HG1 VAL 4 9.004 5.236 -1.748 27 HG13 VAL 4 3HG1 VAL 4 7.304 5.397 -2.188 28 HG21 VAL 4 3HG2 VAL 4 7.638 4.560 0.188 29 HG22 VAL 4 1HG2 VAL 4 8.869 3.300 0.287 30 HG23 VAL 4 2HG2 VAL 4 7.160 2.868 0.331 31 H CYS 5 H CYS 5 4.514 1.400 -2.044 32 HA CYS 5 HA CYS 5 5.885 -0.908 -0.896 33 HB2 CYS 5 2HB CYS 5 2.917 -0.575 -1.350 34 HB3 CYS 5 1HB CYS 5 3.722 -1.761 -0.314 35 H GLY 6 H GLY 6 4.127 0.112 -3.747 36 HA2 GLY 6 2HA GLY 6 4.236 -0.760 -5.889 37 HA3 GLY 6 1HA GLY 6 5.277 -2.037 -5.279 38 H GLU 7 H GLU 7 2.219 -1.377 -3.788 39 HA GLU 7 HA GLU 7 1.004 -3.689 -5.129 40 HB2 GLU 7 2HB GLU 7 0.920 -3.110 -2.166 41 HB3 GLU 7 1HB GLU 7 -0.055 -4.320 -2.972 42 HG2 GLU 7 2HG GLU 7 1.969 -5.537 -3.595 43 HG3 GLU 7 1HG GLU 7 2.946 -4.322 -2.766 44 H THR 8 H THR 8 -1.292 -3.682 -5.096 45 HA THR 8 HA THR 8 -2.423 -0.994 -4.772 46 HB THR 8 HB THR 8 -4.257 -1.820 -6.286 47 HG1 THR 8 1HG THR 8 -2.669 -3.705 -7.479 48 HG21 THR 8 3HG2 THR 8 -1.753 -0.757 -6.892 49 HG22 THR 8 1HG2 THR 8 -3.181 -0.753 -7.928 50 HG23 THR 8 2HG2 THR 8 -1.989 -2.045 -8.073 51 H CYS 9 H CYS 9 -4.293 -0.756 -3.569 52 HA CYS 9 HA CYS 9 -5.082 -3.180 -2.091 53 HB2 CYS 9 2HB CYS 9 -3.930 -1.258 -0.820 54 HB3 CYS 9 1HB CYS 9 -5.456 -0.405 -1.014 55 H THR 10 H THR 10 -6.284 -2.521 -4.551 56 HA THR 10 HA THR 10 -8.757 -1.171 -4.029 57 HB THR 10 HB THR 10 -7.862 -1.235 -6.313 58 HG1 THR 10 1HG THR 10 -10.387 -2.427 -5.819 59 HG21 THR 10 3HG2 THR 10 -8.402 -3.533 -7.520 60 HG22 THR 10 1HG2 THR 10 -8.066 -4.176 -5.912 61 HG23 THR 10 2HG2 THR 10 -6.839 -3.234 -6.758 62 H LEU 11 H LEU 11 -7.541 -4.415 -3.938 63 HA LEU 11 HA LEU 11 -10.109 -5.631 -3.422 64 HB2 LEU 11 2HB LEU 11 -7.314 -6.768 -3.266 65 HB3 LEU 11 1HB LEU 11 -8.794 -7.696 -3.117 66 HG LEU 11 HG LEU 11 -7.917 -6.196 -5.588 67 HD11 LEU 11 1HD1 LEU 11 -7.390 -8.889 -4.594 68 HD12 LEU 11 2HD1 LEU 11 -6.584 -7.968 -5.864 69 HD13 LEU 11 3HD1 LEU 11 -8.068 -8.852 -6.222 70 HD21 LEU 11 3HD2 LEU 11 -10.330 -7.878 -4.966 71 HD22 LEU 11 1HD2 LEU 11 -9.780 -7.580 -6.614 72 HD23 LEU 11 2HD2 LEU 11 -10.274 -6.231 -5.593 73 H GLY 12 H GLY 12 -7.676 -4.036 -1.651 74 HA2 GLY 12 2HA GLY 12 -7.768 -3.446 0.605 75 HA3 GLY 12 1HA GLY 12 -9.021 -4.655 0.847 76 H THR 13 H THR 13 -5.878 -5.144 -0.651 77 HA THR 13 HA THR 13 -4.924 -6.612 1.685 78 HB THR 13 HB THR 13 -4.155 -8.467 0.116 79 HG1 THR 13 1HG THR 13 -4.647 -7.250 -1.825 80 HG21 THR 13 3HG2 THR 13 -6.726 -9.270 -0.083 81 HG22 THR 13 1HG2 THR 13 -6.891 -7.983 1.112 82 HG23 THR 13 2HG2 THR 13 -5.796 -9.332 1.414 83 H CYS 14 H CYS 14 -2.781 -6.432 1.990 84 HA CYS 14 HA CYS 14 -0.932 -5.846 -0.128 85 HB2 CYS 14 2HB CYS 14 -1.526 -3.829 2.047 86 HB3 CYS 14 1HB CYS 14 0.013 -3.860 1.198 87 H TYR 15 H TYR 15 0.931 -6.843 0.334 88 HA TYR 15 HA TYR 15 1.224 -7.927 3.053 89 HB2 TYR 15 2HB TYR 15 2.290 -8.874 0.396 90 HB3 TYR 15 1HB TYR 15 2.792 -9.562 1.934 91 HD1 TYR 15 2HD TYR 15 -0.425 -8.745 0.177 92 HD2 TYR 15 1HD TYR 15 1.764 -11.520 2.545 93 HE1 TYR 15 2HE TYR 15 -2.326 -10.301 0.101 94 HE2 TYR 15 1HE TYR 15 -0.130 -13.084 2.471 95 HH TYR 15 HH TYR 15 -2.153 -13.448 0.751 96 H THR 16 H THR 16 2.263 -5.279 1.624 97 HA THR 16 HA THR 16 5.091 -5.595 1.975 98 HB THR 16 HB THR 16 4.935 -2.984 1.756 99 HG1 THR 16 1HG THR 16 2.552 -3.867 0.427 100 HG21 THR 16 3HG2 THR 16 4.846 -3.366 -0.768 101 HG22 THR 16 1HG2 THR 16 4.608 -5.071 -0.386 102 HG23 THR 16 2HG2 THR 16 6.080 -4.248 0.133 103 H GLN 17 H GLN 17 6.379 -4.371 3.384 104 HA GLN 17 HA GLN 17 5.483 -4.487 6.081 105 HB2 GLN 17 2HB GLN 17 7.800 -3.477 6.517 106 HB3 GLN 17 1HB GLN 17 7.725 -5.070 5.777 107 HG2 GLN 17 2HG GLN 17 8.297 -4.227 3.657 108 HG3 GLN 17 1HG GLN 17 8.000 -2.562 4.154 109 HE21 GLN 17 1HE2 GLN 17 10.317 -4.935 3.719 110 HE22 GLN 17 2HE2 GLN 17 11.623 -4.176 4.555 111 H GLY 18 H GLY 18 4.738 -2.977 7.385 112 HA2 GLY 18 2HA GLY 18 3.926 -0.983 8.159 113 HA3 GLY 18 1HA GLY 18 5.390 -0.290 7.487 114 H CYS 19 H CYS 19 3.047 -1.852 5.462 115 HA CYS 19 HA CYS 19 2.496 0.727 4.197 116 HB2 CYS 19 2HB CYS 19 2.278 -2.129 3.265 117 HB3 CYS 19 1HB CYS 19 1.621 -0.792 2.333 118 H THR 20 H THR 20 0.513 1.602 4.134 119 HA THR 20 HA THR 20 -1.633 0.128 5.508 120 HB THR 20 HB THR 20 -2.627 2.428 5.900 121 HG1 THR 20 1HG THR 20 0.021 3.249 5.200 122 HG21 THR 20 3HG2 THR 20 -1.754 2.300 7.954 123 HG22 THR 20 1HG2 THR 20 -0.125 2.627 7.361 124 HG23 THR 20 2HG2 THR 20 -0.755 0.979 7.346 125 H CYS 21 H CYS 21 -3.609 -0.054 4.587 126 HA CYS 21 HA CYS 21 -3.819 0.039 1.802 127 HB2 CYS 21 2HB CYS 21 -5.190 -1.395 3.346 128 HB3 CYS 21 1HB CYS 21 -6.129 0.039 3.748 129 H SER 22 H SER 22 -3.985 1.688 0.533 130 HA SER 22 HA SER 22 -5.604 4.008 1.297 131 HB2 SER 22 2HB SER 22 -2.929 4.289 -0.085 132 HB3 SER 22 1HB SER 22 -3.908 5.554 0.660 133 HG SER 22 HG SER 22 -2.824 3.389 2.133 134 H TRP 23 H TRP 23 -7.057 2.755 -0.100 135 HA TRP 23 HA TRP 23 -6.841 1.818 -2.569 136 HB2 TRP 23 2HB TRP 23 -8.970 2.055 -1.278 137 HB3 TRP 23 1HB TRP 23 -9.068 3.723 -1.834 138 HD1 TRP 23 HD TRP 23 -8.893 0.169 -3.402 139 HE1 TRP 23 1HE TRP 23 -10.290 0.185 -5.564 140 HE3 TRP 23 3HE TRP 23 -10.213 5.107 -3.474 141 HZ2 TRP 23 2HZ TRP 23 -11.758 2.047 -7.093 142 HZ3 TRP 23 3HZ TRP 23 -11.614 5.926 -5.323 143 HH2 TRP 23 HH TRP 23 -12.368 4.426 -7.096 144 HA PRO 24 HA PRO 24 -6.927 1.391 -4.206 145 HB2 PRO 24 2HB PRO 24 -6.010 1.216 -6.736 146 HB3 PRO 24 1HB PRO 24 -7.622 1.824 -6.348 147 HG2 PRO 24 2HG PRO 24 -5.284 3.279 -7.342 148 HG3 PRO 24 1HG PRO 24 -6.982 3.774 -7.319 149 HD2 PRO 24 2HD PRO 24 -4.846 4.465 -5.464 150 HD3 PRO 24 1HD PRO 24 -6.483 5.141 -5.583 151 H ILE 25 H ILE 25 -4.368 2.728 -3.085 152 HA ILE 25 HA ILE 25 -2.565 0.508 -3.830 153 HB ILE 25 HB ILE 25 -0.633 1.947 -3.828 154 HG12 ILE 25 2HG1 ILE 25 -2.591 4.120 -3.070 155 HG13 ILE 25 1HG1 ILE 25 -1.164 3.586 -2.181 156 HG21 ILE 25 1HG2 ILE 25 -2.817 3.071 -5.572 157 HG22 ILE 25 2HG2 ILE 25 -1.761 1.708 -5.949 158 HG23 ILE 25 3HG2 ILE 25 -1.088 3.333 -5.807 159 HD11 ILE 25 3HD1 ILE 25 -0.062 5.252 -3.119 160 HD12 ILE 25 1HD1 ILE 25 -1.414 5.622 -4.190 161 HD13 ILE 25 2HD1 ILE 25 -0.215 4.420 -4.668 162 H CYS 26 H CYS 26 -0.463 1.348 -2.174 163 HA CYS 26 HA CYS 26 -1.555 1.526 0.514 164 HB2 CYS 26 2HB CYS 26 -0.007 -0.814 -0.547 165 HB3 CYS 26 1HB CYS 26 0.175 -0.342 1.139 166 H LYS 27 H LYS 27 -0.210 2.566 1.926 167 HA LYS 27 HA LYS 27 2.344 3.495 0.786 168 HB2 LYS 27 2HB LYS 27 1.986 5.645 1.865 169 HB3 LYS 27 1HB LYS 27 0.643 5.264 0.796 170 HG2 LYS 27 2HG LYS 27 -0.635 4.491 2.783 171 HG3 LYS 27 1HG LYS 27 0.687 5.067 3.797 172 HD2 LYS 27 2HD LYS 27 0.363 7.333 2.868 173 HD3 LYS 27 1HD LYS 27 -1.012 6.730 1.940 174 HE2 LYS 27 2HE LYS 27 -0.735 6.855 4.938 175 HE3 LYS 27 1HE LYS 27 -1.848 7.777 3.926 176 HZ1 LYS 27 3HZ LYS 27 -1.967 4.955 4.730 177 HZ2 LYS 27 1HZ LYS 27 -2.640 5.399 3.237 178 HZ3 LYS 27 2HZ LYS 27 -3.203 6.112 4.668 179 H ARG 28 H ARG 28 4.091 3.334 1.940 180 HA ARG 28 HA ARG 28 3.945 2.282 4.673 181 HB2 ARG 28 2HB ARG 28 5.230 0.948 3.089 182 HB3 ARG 28 1HB ARG 28 6.196 2.348 2.670 183 HG2 ARG 28 2HG ARG 28 6.901 2.383 5.116 184 HG3 ARG 28 1HG ARG 28 6.209 0.760 5.206 185 HD2 ARG 28 2HD ARG 28 8.502 1.724 3.518 186 HD3 ARG 28 1HD ARG 28 8.501 0.450 4.737 187 HE ARG 28 HE ARG 28 6.698 -0.343 2.805 188 HH11 ARG 28 1HH1 ARG 28 10.117 0.353 2.988 189 HH12 ARG 28 2HH1 ARG 28 10.536 -0.677 1.662 190 HH21 ARG 28 1HH2 ARG 28 7.233 -1.704 1.046 191 HH22 ARG 28 2HH2 ARG 28 8.884 -1.849 0.544 192 H ASN 29 H ASN 29 4.439 3.568 6.236 193 HA ASN 29 HA ASN 29 5.016 5.435 7.426 194 HB2 ASN 29 2HB ASN 29 7.303 4.423 6.514 195 HB3 ASN 29 1HB ASN 29 7.345 5.937 5.619 196 HD21 ASN 29 1HD2 ASN 29 8.503 4.533 8.252 197 HD22 ASN 29 2HD2 ASN 29 8.657 5.892 9.306 Start of MODEL 5 1 H1 GLY 1 H GLY 1 2.860 6.182 5.360 2 HA2 GLY 1 2HA GLY 1 1.938 7.952 4.224 3 HA3 GLY 1 1HA GLY 1 3.200 8.963 4.904 4 H LEU 2 H LEU 2 4.148 6.173 3.078 5 HA LEU 2 HA LEU 2 4.609 7.831 0.697 6 HB2 LEU 2 2HB LEU 2 6.626 6.020 2.031 7 HB3 LEU 2 1HB LEU 2 6.837 6.740 0.447 8 HG LEU 2 HG LEU 2 6.541 8.312 3.008 9 HD11 LEU 2 1HD1 LEU 2 8.670 7.829 3.402 10 HD12 LEU 2 2HD1 LEU 2 9.086 8.669 1.908 11 HD13 LEU 2 3HD1 LEU 2 8.800 6.930 1.890 12 HD21 LEU 2 3HD2 LEU 2 6.358 10.118 1.729 13 HD22 LEU 2 1HD2 LEU 2 6.245 9.069 0.317 14 HD23 LEU 2 2HD2 LEU 2 7.816 9.680 0.837 15 HA PRO 3 HA PRO 3 2.714 4.157 -1.030 16 HB2 PRO 3 2HB PRO 3 2.827 5.535 -3.581 17 HB3 PRO 3 1HB PRO 3 1.418 5.162 -2.588 18 HG2 PRO 3 2HG PRO 3 2.334 7.694 -2.986 19 HG3 PRO 3 1HG PRO 3 1.472 7.190 -1.522 20 HD2 PRO 3 2HD PRO 3 4.416 7.537 -1.964 21 HD3 PRO 3 1HD PRO 3 3.423 8.005 -0.566 22 H VAL 4 H VAL 4 5.443 3.926 -0.628 23 HA VAL 4 HA VAL 4 6.543 3.202 -3.251 24 HB VAL 4 HB VAL 4 8.698 2.945 -1.973 25 HG11 VAL 4 1HG1 VAL 4 8.119 4.914 -3.361 26 HG12 VAL 4 2HG1 VAL 4 9.179 5.313 -2.008 27 HG13 VAL 4 3HG1 VAL 4 7.458 5.693 -1.923 28 HG21 VAL 4 3HG2 VAL 4 7.928 2.712 0.268 29 HG22 VAL 4 1HG2 VAL 4 7.039 4.232 0.184 30 HG23 VAL 4 2HG2 VAL 4 8.803 4.240 0.176 31 H CYS 5 H CYS 5 4.570 1.583 -1.920 32 HA CYS 5 HA CYS 5 6.038 -0.756 -1.003 33 HB2 CYS 5 2HB CYS 5 3.047 -0.483 -1.369 34 HB3 CYS 5 1HB CYS 5 3.905 -1.719 -0.439 35 H GLY 6 H GLY 6 4.187 0.377 -3.744 36 HA2 GLY 6 2HA GLY 6 4.255 -0.343 -5.935 37 HA3 GLY 6 1HA GLY 6 5.383 -1.599 -5.449 38 H GLU 7 H GLU 7 2.268 -1.166 -3.929 39 HA GLU 7 HA GLU 7 1.199 -3.465 -5.399 40 HB2 GLU 7 2HB GLU 7 0.951 -3.166 -2.401 41 HB3 GLU 7 1HB GLU 7 0.350 -4.486 -3.387 42 HG2 GLU 7 2HG GLU 7 2.541 -5.271 -3.847 43 HG3 GLU 7 1HG GLU 7 3.269 -3.843 -3.112 44 H THR 8 H THR 8 -1.025 -3.544 -5.523 45 HA THR 8 HA THR 8 -2.368 -1.012 -4.945 46 HB THR 8 HB THR 8 -4.222 -1.987 -6.356 47 HG1 THR 8 1HG THR 8 -2.697 -3.696 -7.754 48 HG21 THR 8 3HG2 THR 8 -1.511 -1.284 -7.385 49 HG22 THR 8 1HG2 THR 8 -3.033 -0.402 -7.524 50 HG23 THR 8 2HG2 THR 8 -2.740 -1.821 -8.530 51 H CYS 9 H CYS 9 -4.225 -0.990 -3.636 52 HA CYS 9 HA CYS 9 -4.701 -3.543 -2.251 53 HB2 CYS 9 2HB CYS 9 -4.726 -2.521 -0.153 54 HB3 CYS 9 1HB CYS 9 -3.387 -1.752 -0.978 55 H THR 10 H THR 10 -6.162 -2.503 -4.487 56 HA THR 10 HA THR 10 -8.583 -1.300 -3.673 57 HB THR 10 HB THR 10 -7.858 -1.350 -6.027 58 HG1 THR 10 1HG THR 10 -10.387 -2.455 -5.355 59 HG21 THR 10 3HG2 THR 10 -7.186 -3.880 -5.784 60 HG22 THR 10 1HG2 THR 10 -7.726 -3.238 -7.336 61 HG23 THR 10 2HG2 THR 10 -8.845 -4.149 -6.322 62 H LEU 11 H LEU 11 -7.384 -4.522 -3.544 63 HA LEU 11 HA LEU 11 -9.943 -5.771 -3.097 64 HB2 LEU 11 2HB LEU 11 -8.740 -7.817 -2.818 65 HB3 LEU 11 1HB LEU 11 -8.050 -6.966 -4.183 66 HG LEU 11 HG LEU 11 -6.800 -6.873 -1.440 67 HD11 LEU 11 1HD1 LEU 11 -6.853 -9.046 -3.389 68 HD12 LEU 11 2HD1 LEU 11 -6.369 -9.052 -1.693 69 HD13 LEU 11 3HD1 LEU 11 -5.227 -8.538 -2.934 70 HD21 LEU 11 3HD2 LEU 11 -4.754 -6.513 -2.981 71 HD22 LEU 11 1HD2 LEU 11 -5.868 -5.171 -2.719 72 HD23 LEU 11 2HD2 LEU 11 -5.953 -6.108 -4.210 73 H GLY 12 H GLY 12 -7.947 -3.866 -1.247 74 HA2 GLY 12 2HA GLY 12 -8.181 -3.259 0.975 75 HA3 GLY 12 1HA GLY 12 -9.352 -4.552 1.172 76 H THR 13 H THR 13 -6.006 -4.708 0.052 77 HA THR 13 HA THR 13 -5.112 -5.933 2.517 78 HB THR 13 HB THR 13 -4.709 -7.553 0.017 79 HG1 THR 13 1HG THR 13 -7.029 -7.320 1.531 80 HG21 THR 13 3HG2 THR 13 -4.171 -9.316 1.491 81 HG22 THR 13 1HG2 THR 13 -4.876 -8.478 2.874 82 HG23 THR 13 2HG2 THR 13 -3.375 -7.891 2.158 83 H CYS 14 H CYS 14 -2.805 -6.211 2.554 84 HA CYS 14 HA CYS 14 -1.243 -5.095 0.387 85 HB2 CYS 14 2HB CYS 14 -1.298 -3.950 3.187 86 HB3 CYS 14 1HB CYS 14 0.037 -3.681 2.074 87 H TYR 15 H TYR 15 0.548 -6.221 0.151 88 HA TYR 15 HA TYR 15 1.139 -8.302 2.104 89 HB2 TYR 15 2HB TYR 15 2.152 -7.874 -0.714 90 HB3 TYR 15 1HB TYR 15 2.613 -9.224 0.316 91 HD1 TYR 15 1HD TYR 15 -0.525 -7.587 -0.933 92 HD2 TYR 15 2HD TYR 15 1.510 -11.211 -0.018 93 HE1 TYR 15 1HE TYR 15 -2.457 -8.871 -1.747 94 HE2 TYR 15 2HE TYR 15 -0.417 -12.503 -0.831 95 HH TYR 15 HH TYR 15 -3.345 -10.884 -2.025 96 H THR 16 H THR 16 2.408 -5.317 0.912 97 HA THR 16 HA THR 16 5.099 -5.761 1.657 98 HB THR 16 HB THR 16 4.987 -3.117 1.710 99 HG1 THR 16 1HG THR 16 2.791 -3.944 0.047 100 HG21 THR 16 3HG2 THR 16 4.845 -4.695 -0.857 101 HG22 THR 16 1HG2 THR 16 6.268 -4.632 0.183 102 HG23 THR 16 2HG2 THR 16 5.672 -3.161 -0.587 103 H GLN 17 H GLN 17 6.280 -4.772 3.307 104 HA GLN 17 HA GLN 17 5.036 -5.022 5.868 105 HB2 GLN 17 2HB GLN 17 7.829 -4.087 5.210 106 HB3 GLN 17 1HB GLN 17 7.255 -4.626 6.779 107 HG2 GLN 17 2HG GLN 17 7.308 -6.370 4.332 108 HG3 GLN 17 1HG GLN 17 8.613 -6.291 5.510 109 HE21 GLN 17 1HE2 GLN 17 6.131 -5.853 7.446 110 HE22 GLN 17 2HE2 GLN 17 5.693 -7.482 7.813 111 H GLY 18 H GLY 18 4.324 -3.540 7.213 112 HA2 GLY 18 2HA GLY 18 3.749 -1.533 8.143 113 HA3 GLY 18 1HA GLY 18 5.236 -0.896 7.460 114 H CYS 19 H CYS 19 3.050 -2.248 5.223 115 HA CYS 19 HA CYS 19 2.492 0.409 4.189 116 HB2 CYS 19 2HB CYS 19 2.284 -2.363 3.037 117 HB3 CYS 19 1HB CYS 19 1.673 -0.952 2.183 118 H THR 20 H THR 20 0.528 1.313 4.062 119 HA THR 20 HA THR 20 -1.693 -0.179 5.293 120 HB THR 20 HB THR 20 -2.647 2.080 5.837 121 HG1 THR 20 1HG THR 20 -0.100 2.905 4.860 122 HG21 THR 20 3HG2 THR 20 -0.088 1.067 6.993 123 HG22 THR 20 1HG2 THR 20 -1.702 1.113 7.702 124 HG23 THR 20 2HG2 THR 20 -0.750 2.593 7.577 125 H CYS 21 H CYS 21 -3.682 -0.171 4.289 126 HA CYS 21 HA CYS 21 -3.631 0.183 1.482 127 HB2 CYS 21 2HB CYS 21 -5.010 -1.543 2.578 128 HB3 CYS 21 1HB CYS 21 -6.019 -0.279 3.273 129 H SER 22 H SER 22 -3.923 1.894 0.371 130 HA SER 22 HA SER 22 -5.695 4.032 1.289 131 HB2 SER 22 2HB SER 22 -2.913 4.439 0.135 132 HB3 SER 22 1HB SER 22 -4.071 5.723 0.485 133 HG SER 22 HG SER 22 -3.515 3.983 2.571 134 H TRP 23 H TRP 23 -7.013 2.751 -0.108 135 HA TRP 23 HA TRP 23 -6.887 1.812 -2.520 136 HB2 TRP 23 2HB TRP 23 -8.991 2.186 -1.198 137 HB3 TRP 23 1HB TRP 23 -9.069 3.799 -1.901 138 HD1 TRP 23 HD TRP 23 -8.910 0.128 -3.168 139 HE1 TRP 23 1HE TRP 23 -10.329 -0.037 -5.310 140 HE3 TRP 23 3HE TRP 23 -10.257 5.038 -3.622 141 HZ2 TRP 23 2HZ TRP 23 -11.821 1.692 -6.969 142 HZ3 TRP 23 3HZ TRP 23 -11.680 5.700 -5.516 143 HH2 TRP 23 HH TRP 23 -12.444 4.061 -7.156 144 HA PRO 24 HA PRO 24 -6.790 1.255 -3.992 145 HB2 PRO 24 2HB PRO 24 -6.024 0.898 -6.541 146 HB3 PRO 24 1HB PRO 24 -7.617 1.539 -6.127 147 HG2 PRO 24 2HG PRO 24 -5.333 2.909 -7.350 148 HG3 PRO 24 1HG PRO 24 -7.026 3.414 -7.273 149 HD2 PRO 24 2HD PRO 24 -4.783 4.183 -5.549 150 HD3 PRO 24 1HD PRO 24 -6.394 4.923 -5.692 151 H ILE 25 H ILE 25 -4.239 2.711 -3.045 152 HA ILE 25 HA ILE 25 -2.368 0.581 -3.892 153 HB ILE 25 HB ILE 25 -0.532 2.096 -4.054 154 HG12 ILE 25 2HG1 ILE 25 -2.481 4.187 -3.066 155 HG13 ILE 25 1HG1 ILE 25 -1.009 3.631 -2.269 156 HG21 ILE 25 1HG2 ILE 25 -2.799 2.259 -5.745 157 HG22 ILE 25 2HG2 ILE 25 -1.102 2.519 -6.154 158 HG23 ILE 25 3HG2 ILE 25 -2.100 3.874 -5.624 159 HD11 ILE 25 3HD1 ILE 25 0.119 5.256 -3.247 160 HD12 ILE 25 1HD1 ILE 25 -1.351 5.802 -4.054 161 HD13 ILE 25 2HD1 ILE 25 -0.304 4.616 -4.835 162 H CYS 26 H CYS 26 -0.542 0.245 -2.473 163 HA CYS 26 HA CYS 26 -1.281 0.581 0.331 164 HB2 CYS 26 2HB CYS 26 0.897 -1.068 -0.978 165 HB3 CYS 26 1HB CYS 26 0.578 -1.023 0.753 166 H LYS 27 H LYS 27 -0.202 1.875 1.709 167 HA LYS 27 HA LYS 27 2.184 3.315 0.717 168 HB2 LYS 27 2HB LYS 27 0.326 4.764 0.408 169 HB3 LYS 27 1HB LYS 27 -0.349 4.352 1.974 170 HG2 LYS 27 2HG LYS 27 1.703 5.462 2.976 171 HG3 LYS 27 1HG LYS 27 1.999 6.108 1.358 172 HD2 LYS 27 2HD LYS 27 0.740 7.722 2.649 173 HD3 LYS 27 1HD LYS 27 -0.283 7.069 1.367 174 HE2 LYS 27 2HE LYS 27 -0.934 5.339 3.256 175 HE3 LYS 27 1HE LYS 27 -0.421 6.653 4.312 176 HZ1 LYS 27 3HZ LYS 27 -2.007 7.907 2.524 177 HZ2 LYS 27 1HZ LYS 27 -2.504 7.371 4.051 178 HZ3 LYS 27 2HZ LYS 27 -2.782 6.408 2.684 179 H ARG 28 H ARG 28 3.867 3.148 2.088 180 HA ARG 28 HA ARG 28 3.286 2.544 4.909 181 HB2 ARG 28 2HB ARG 28 5.427 1.519 5.109 182 HB3 ARG 28 1HB ARG 28 4.659 0.863 3.678 183 HG2 ARG 28 2HG ARG 28 6.076 2.074 2.236 184 HG3 ARG 28 1HG ARG 28 6.638 3.116 3.546 185 HD2 ARG 28 2HD ARG 28 8.381 1.568 3.138 186 HD3 ARG 28 1HD ARG 28 7.592 1.046 4.624 187 HE ARG 28 HE ARG 28 6.875 -0.862 3.562 188 HH11 ARG 28 1HH1 ARG 28 8.248 1.356 1.237 189 HH12 ARG 28 2HH1 ARG 28 8.158 0.247 -0.092 190 HH21 ARG 28 1HH2 ARG 28 6.772 -2.350 1.819 191 HH22 ARG 28 2HH2 ARG 28 7.333 -1.879 0.250 192 H ASN 29 H ASN 29 3.991 3.821 6.473 193 HA ASN 29 HA ASN 29 4.601 5.773 7.492 194 HB2 ASN 29 2HB ASN 29 6.805 4.564 7.055 195 HB3 ASN 29 1HB ASN 29 7.033 5.671 5.705 196 HD21 ASN 29 1HD2 ASN 29 8.242 7.359 6.163 197 HD22 ASN 29 2HD2 ASN 29 8.397 8.115 7.706 Start of MODEL 6 1 H1 GLY 1 H GLY 1 3.312 5.511 5.187 2 HA2 GLY 1 2HA GLY 1 2.246 7.468 4.568 3 HA3 GLY 1 1HA GLY 1 3.657 8.366 5.106 4 H LEU 2 H LEU 2 4.396 5.824 2.939 5 HA LEU 2 HA LEU 2 4.288 7.635 0.626 6 HB2 LEU 2 2HB LEU 2 6.676 6.150 1.682 7 HB3 LEU 2 1HB LEU 2 6.534 6.475 -0.031 8 HG LEU 2 HG LEU 2 7.908 8.177 0.793 9 HD11 LEU 2 1HD1 LEU 2 5.177 8.902 0.088 10 HD12 LEU 2 2HD1 LEU 2 6.714 9.513 -0.522 11 HD13 LEU 2 3HD1 LEU 2 6.038 10.160 0.973 12 HD21 LEU 2 3HD2 LEU 2 7.942 8.383 3.018 13 HD22 LEU 2 1HD2 LEU 2 6.234 7.973 3.185 14 HD23 LEU 2 2HD2 LEU 2 6.709 9.618 2.761 15 HA PRO 3 HA PRO 3 2.498 3.960 -1.151 16 HB2 PRO 3 2HB PRO 3 2.325 4.819 -3.705 17 HB3 PRO 3 1HB PRO 3 1.255 5.418 -2.433 18 HG2 PRO 3 2HG PRO 3 3.703 6.682 -3.600 19 HG3 PRO 3 1HG PRO 3 2.148 7.427 -3.188 20 HD2 PRO 3 2HD PRO 3 4.351 7.591 -1.594 21 HD3 PRO 3 1HD PRO 3 2.692 7.622 -0.965 22 H VAL 4 H VAL 4 5.193 3.674 -0.643 23 HA VAL 4 HA VAL 4 6.379 2.814 -3.185 24 HB VAL 4 HB VAL 4 8.479 2.576 -1.842 25 HG11 VAL 4 1HG1 VAL 4 7.992 5.383 -1.448 26 HG12 VAL 4 2HG1 VAL 4 7.268 4.838 -2.961 27 HG13 VAL 4 3HG1 VAL 4 8.989 4.583 -2.663 28 HG21 VAL 4 3HG2 VAL 4 7.535 2.405 0.379 29 HG22 VAL 4 1HG2 VAL 4 6.850 4.024 0.240 30 HG23 VAL 4 2HG2 VAL 4 8.600 3.809 0.293 31 H CYS 5 H CYS 5 4.321 1.288 -1.852 32 HA CYS 5 HA CYS 5 5.722 -1.053 -0.829 33 HB2 CYS 5 2HB CYS 5 2.744 -0.742 -1.289 34 HB3 CYS 5 1HB CYS 5 3.556 -1.992 -0.337 35 H GLY 6 H GLY 6 4.143 0.149 -3.649 36 HA2 GLY 6 2HA GLY 6 4.245 -0.577 -5.833 37 HA3 GLY 6 1HA GLY 6 5.265 -1.904 -5.299 38 H GLU 7 H GLU 7 2.121 -1.252 -3.936 39 HA GLU 7 HA GLU 7 0.958 -3.488 -5.438 40 HB2 GLU 7 2HB GLU 7 0.423 -3.185 -2.499 41 HB3 GLU 7 1HB GLU 7 0.161 -4.582 -3.528 42 HG2 GLU 7 2HG GLU 7 2.497 -5.066 -3.588 43 HG3 GLU 7 1HG GLU 7 2.876 -3.559 -2.748 44 H THR 8 H THR 8 -1.326 -3.465 -5.511 45 HA THR 8 HA THR 8 -2.493 -0.830 -4.979 46 HB THR 8 HB THR 8 -4.421 -1.686 -6.356 47 HG1 THR 8 1HG THR 8 -2.945 -3.546 -7.691 48 HG21 THR 8 3HG2 THR 8 -1.974 -0.606 -7.164 49 HG22 THR 8 1HG2 THR 8 -3.489 -0.593 -8.066 50 HG23 THR 8 2HG2 THR 8 -2.316 -1.884 -8.328 51 H CYS 9 H CYS 9 -4.326 -0.694 -3.614 52 HA CYS 9 HA CYS 9 -4.802 -3.205 -2.147 53 HB2 CYS 9 2HB CYS 9 -5.009 -2.043 -0.111 54 HB3 CYS 9 1HB CYS 9 -3.594 -1.366 -0.900 55 H THR 10 H THR 10 -6.301 -2.350 -4.456 56 HA THR 10 HA THR 10 -8.785 -1.256 -3.639 57 HB THR 10 HB THR 10 -8.112 -1.268 -5.999 58 HG1 THR 10 1HG THR 10 -10.524 -2.566 -5.262 59 HG21 THR 10 3HG2 THR 10 -8.836 -3.781 -6.938 60 HG22 THR 10 1HG2 THR 10 -7.828 -4.115 -5.530 61 HG23 THR 10 2HG2 THR 10 -7.201 -3.123 -6.847 62 H LEU 11 H LEU 11 -7.384 -4.413 -3.583 63 HA LEU 11 HA LEU 11 -9.846 -5.775 -2.951 64 HB2 LEU 11 2HB LEU 11 -8.060 -7.649 -2.410 65 HB3 LEU 11 1HB LEU 11 -8.531 -7.263 -4.051 66 HG LEU 11 HG LEU 11 -6.496 -5.770 -4.179 67 HD11 LEU 11 1HD1 LEU 11 -5.374 -7.298 -1.884 68 HD12 LEU 11 2HD1 LEU 11 -6.313 -5.840 -1.570 69 HD13 LEU 11 3HD1 LEU 11 -4.865 -5.756 -2.572 70 HD21 LEU 11 3HD2 LEU 11 -5.747 -8.616 -3.616 71 HD22 LEU 11 1HD2 LEU 11 -5.106 -7.521 -4.840 72 HD23 LEU 11 2HD2 LEU 11 -6.733 -8.178 -5.012 73 H GLY 12 H GLY 12 -7.864 -3.776 -1.257 74 HA2 GLY 12 2HA GLY 12 -7.884 -3.200 0.971 75 HA3 GLY 12 1HA GLY 12 -9.027 -4.499 1.250 76 H THR 13 H THR 13 -5.700 -4.575 0.008 77 HA THR 13 HA THR 13 -4.699 -5.755 2.444 78 HB THR 13 HB THR 13 -4.355 -7.452 -0.009 79 HG1 THR 13 1HG THR 13 -6.641 -7.205 1.559 80 HG21 THR 13 3HG2 THR 13 -2.889 -7.855 1.899 81 HG22 THR 13 1HG2 THR 13 -3.981 -9.218 1.649 82 HG23 THR 13 2HG2 THR 13 -4.294 -8.063 2.945 83 H CYS 14 H CYS 14 -2.416 -5.975 2.441 84 HA CYS 14 HA CYS 14 -0.841 -5.076 0.194 85 HB2 CYS 14 2HB CYS 14 -0.756 -3.584 2.841 86 HB3 CYS 14 1HB CYS 14 0.318 -3.308 1.476 87 H TYR 15 H TYR 15 0.918 -6.334 0.166 88 HA TYR 15 HA TYR 15 1.395 -8.154 2.346 89 HB2 TYR 15 2HB TYR 15 2.741 -7.790 -0.330 90 HB3 TYR 15 1HB TYR 15 3.238 -9.008 0.837 91 HD1 TYR 15 2HD TYR 15 -0.086 -7.860 -0.478 92 HD2 TYR 15 1HD TYR 15 2.578 -11.110 0.190 93 HE1 TYR 15 2HE TYR 15 -1.761 -9.411 -1.387 94 HE2 TYR 15 1HE TYR 15 0.909 -12.669 -0.722 95 HH TYR 15 HH TYR 15 -2.101 -11.513 -2.144 96 H THR 16 H THR 16 2.950 -5.292 1.069 97 HA THR 16 HA THR 16 5.445 -5.544 2.263 98 HB THR 16 HB THR 16 5.363 -2.968 2.305 99 HG1 THR 16 1HG THR 16 3.146 -3.589 0.602 100 HG21 THR 16 3HG2 THR 16 5.179 -3.421 -0.456 101 HG22 THR 16 1HG2 THR 16 5.765 -4.935 0.233 102 HG23 THR 16 2HG2 THR 16 6.640 -3.434 0.534 103 H GLN 17 H GLN 17 6.380 -4.552 4.069 104 HA GLN 17 HA GLN 17 4.764 -4.780 6.438 105 HB2 GLN 17 2HB GLN 17 7.626 -3.841 6.327 106 HB3 GLN 17 1HB GLN 17 6.788 -4.605 7.670 107 HG2 GLN 17 2HG GLN 17 7.875 -6.436 6.973 108 HG3 GLN 17 1HG GLN 17 6.559 -6.535 5.804 109 HE21 GLN 17 1HE2 GLN 17 9.644 -7.062 5.954 110 HE22 GLN 17 2HE2 GLN 17 10.184 -6.489 4.417 111 H GLY 18 H GLY 18 3.898 -3.217 7.624 112 HA2 GLY 18 2HA GLY 18 3.356 -1.136 8.426 113 HA3 GLY 18 1HA GLY 18 4.902 -0.574 7.812 114 H CYS 19 H CYS 19 2.652 -2.066 5.655 115 HA CYS 19 HA CYS 19 2.331 0.480 4.262 116 HB2 CYS 19 2HB CYS 19 3.041 -1.723 3.126 117 HB3 CYS 19 1HB CYS 19 1.357 -2.202 3.297 118 H THR 20 H THR 20 0.295 1.340 3.747 119 HA THR 20 HA THR 20 -1.980 0.171 5.203 120 HB THR 20 HB THR 20 -2.755 2.530 5.645 121 HG1 THR 20 1HG THR 20 -0.144 3.060 4.661 122 HG21 THR 20 3HG2 THR 20 -0.593 1.090 6.970 123 HG22 THR 20 1HG2 THR 20 -2.018 1.870 7.655 124 HG23 THR 20 2HG2 THR 20 -0.574 2.821 7.305 125 H CYS 21 H CYS 21 -3.940 0.292 4.162 126 HA CYS 21 HA CYS 21 -3.820 0.591 1.348 127 HB2 CYS 21 2HB CYS 21 -5.313 -1.038 2.426 128 HB3 CYS 21 1HB CYS 21 -6.251 0.283 3.115 129 H SER 22 H SER 22 -4.124 2.246 0.150 130 HA SER 22 HA SER 22 -5.717 4.528 1.050 131 HB2 SER 22 2HB SER 22 -3.002 4.751 -0.301 132 HB3 SER 22 1HB SER 22 -4.044 6.095 0.173 133 HG SER 22 HG SER 22 -3.223 4.208 2.091 134 H TRP 23 H TRP 23 -7.041 3.016 -0.238 135 HA TRP 23 HA TRP 23 -7.031 2.052 -2.627 136 HB2 TRP 23 2HB TRP 23 -9.067 2.364 -1.193 137 HB3 TRP 23 1HB TRP 23 -9.262 3.954 -1.927 138 HD1 TRP 23 HD TRP 23 -9.024 0.255 -3.106 139 HE1 TRP 23 1HE TRP 23 -10.556 -0.026 -5.156 140 HE3 TRP 23 3HE TRP 23 -10.583 5.096 -3.617 141 HZ2 TRP 23 2HZ TRP 23 -12.205 1.596 -6.774 142 HZ3 TRP 23 3HZ TRP 23 -12.137 5.648 -5.443 143 HH2 TRP 23 HH TRP 23 -12.928 3.933 -6.990 144 HA PRO 24 HA PRO 24 -7.017 1.455 -4.083 145 HB2 PRO 24 2HB PRO 24 -6.298 1.045 -6.647 146 HB3 PRO 24 1HB PRO 24 -7.917 1.593 -6.198 147 HG2 PRO 24 2HG PRO 24 -5.784 3.062 -7.559 148 HG3 PRO 24 1HG PRO 24 -7.500 3.466 -7.414 149 HD2 PRO 24 2HD PRO 24 -5.229 4.429 -5.832 150 HD3 PRO 24 1HD PRO 24 -6.886 5.065 -5.919 151 H ILE 25 H ILE 25 -4.495 3.161 -3.396 152 HA ILE 25 HA ILE 25 -2.529 1.133 -4.279 153 HB ILE 25 HB ILE 25 -0.809 2.747 -4.369 154 HG12 ILE 25 2HG1 ILE 25 -2.771 4.640 -3.052 155 HG13 ILE 25 1HG1 ILE 25 -1.259 4.032 -2.379 156 HG21 ILE 25 1HG2 ILE 25 -3.344 3.401 -5.732 157 HG22 ILE 25 2HG2 ILE 25 -1.755 3.027 -6.400 158 HG23 ILE 25 3HG2 ILE 25 -2.090 4.640 -5.773 159 HD11 ILE 25 3HD1 ILE 25 -1.490 5.860 -4.763 160 HD12 ILE 25 1HD1 ILE 25 0.002 5.301 -4.006 161 HD13 ILE 25 2HD1 ILE 25 -1.095 6.359 -3.118 162 H CYS 26 H CYS 26 -0.816 0.609 -2.899 163 HA CYS 26 HA CYS 26 -1.501 0.718 -0.067 164 HB2 CYS 26 2HB CYS 26 0.536 -0.837 -1.668 165 HB3 CYS 26 1HB CYS 26 0.513 -0.850 0.090 166 H LYS 27 H LYS 27 -0.331 1.855 1.432 167 HA LYS 27 HA LYS 27 2.014 3.391 0.493 168 HB2 LYS 27 2HB LYS 27 0.105 4.842 0.372 169 HB3 LYS 27 1HB LYS 27 -0.436 4.354 1.968 170 HG2 LYS 27 2HG LYS 27 1.661 5.406 2.875 171 HG3 LYS 27 1HG LYS 27 1.916 6.080 1.262 172 HD2 LYS 27 2HD LYS 27 0.773 7.702 2.656 173 HD3 LYS 27 1HD LYS 27 -0.313 7.135 1.384 174 HE2 LYS 27 2HE LYS 27 -0.979 5.370 3.234 175 HE3 LYS 27 1HE LYS 27 -0.380 6.626 4.317 176 HZ1 LYS 27 3HZ LYS 27 -2.492 7.340 4.142 177 HZ2 LYS 27 1HZ LYS 27 -2.761 6.578 2.652 178 HZ3 LYS 27 2HZ LYS 27 -1.940 8.059 2.715 179 H ARG 28 H ARG 28 3.703 2.846 1.732 180 HA ARG 28 HA ARG 28 3.227 2.184 4.559 181 HB2 ARG 28 2HB ARG 28 5.344 0.979 4.525 182 HB3 ARG 28 1HB ARG 28 4.268 0.370 3.279 183 HG2 ARG 28 2HG ARG 28 5.497 1.504 1.570 184 HG3 ARG 28 1HG ARG 28 6.479 2.346 2.771 185 HD2 ARG 28 2HD ARG 28 6.418 -0.635 2.315 186 HD3 ARG 28 1HD ARG 28 7.687 0.465 1.774 187 HE ARG 28 HE ARG 28 7.403 0.806 4.523 188 HH11 ARG 28 1HH1 ARG 28 8.370 -1.706 2.293 189 HH12 ARG 28 2HH1 ARG 28 9.447 -2.472 3.413 190 HH21 ARG 28 1HH2 ARG 28 8.822 -0.182 6.007 191 HH22 ARG 28 2HH2 ARG 28 9.711 -1.592 5.539 192 H ASN 29 H ASN 29 4.328 3.206 6.141 193 HA ASN 29 HA ASN 29 5.370 4.933 7.200 194 HB2 ASN 29 2HB ASN 29 7.282 4.686 4.861 195 HB3 ASN 29 1HB ASN 29 7.603 5.599 6.330 196 HD21 ASN 29 1HD2 ASN 29 8.699 4.593 7.841 197 HD22 ASN 29 2HD2 ASN 29 8.855 2.884 8.022 Start of MODEL 7 1 H1 GLY 1 H GLY 1 2.692 5.872 4.953 2 HA2 GLY 1 2HA GLY 1 1.424 7.456 3.837 3 HA3 GLY 1 1HA GLY 1 2.472 8.709 4.480 4 H LEU 2 H LEU 2 4.155 6.141 2.960 5 HA LEU 2 HA LEU 2 4.402 7.754 0.503 6 HB2 LEU 2 2HB LEU 2 6.489 6.295 2.091 7 HB3 LEU 2 1HB LEU 2 6.714 6.558 0.375 8 HG LEU 2 HG LEU 2 7.903 8.275 1.473 9 HD11 LEU 2 1HD1 LEU 2 7.150 9.583 -0.151 10 HD12 LEU 2 2HD1 LEU 2 6.025 10.246 1.035 11 HD13 LEU 2 3HD1 LEU 2 5.515 8.933 -0.026 12 HD21 LEU 2 3HD2 LEU 2 5.581 9.370 2.949 13 HD22 LEU 2 1HD2 LEU 2 7.299 9.397 3.349 14 HD23 LEU 2 2HD2 LEU 2 6.356 7.927 3.601 15 HA PRO 3 HA PRO 3 2.891 4.005 -1.387 16 HB2 PRO 3 2HB PRO 3 2.848 4.906 -3.921 17 HB3 PRO 3 1HB PRO 3 1.675 5.447 -2.715 18 HG2 PRO 3 2HG PRO 3 4.147 6.816 -3.700 19 HG3 PRO 3 1HG PRO 3 2.541 7.497 -3.389 20 HD2 PRO 3 2HD PRO 3 4.630 7.705 -1.643 21 HD3 PRO 3 1HD PRO 3 2.930 7.703 -1.138 22 H VAL 4 H VAL 4 5.553 3.823 -0.685 23 HA VAL 4 HA VAL 4 6.943 3.083 -3.164 24 HB VAL 4 HB VAL 4 8.952 2.865 -1.651 25 HG11 VAL 4 1HG1 VAL 4 9.467 5.184 -1.778 26 HG12 VAL 4 2HG1 VAL 4 7.761 5.630 -1.714 27 HG13 VAL 4 3HG1 VAL 4 8.410 4.824 -3.143 28 HG21 VAL 4 3HG2 VAL 4 7.618 2.728 0.458 29 HG22 VAL 4 1HG2 VAL 4 7.263 4.447 0.278 30 HG23 VAL 4 2HG2 VAL 4 8.928 3.909 0.502 31 H CYS 5 H CYS 5 4.851 1.504 -2.020 32 HA CYS 5 HA CYS 5 6.254 -0.875 -1.054 33 HB2 CYS 5 2HB CYS 5 3.266 -0.518 -1.328 34 HB3 CYS 5 1HB CYS 5 4.130 -1.726 -0.369 35 H GLY 6 H GLY 6 4.372 0.387 -3.699 36 HA2 GLY 6 2HA GLY 6 4.276 -0.289 -5.897 37 HA3 GLY 6 1HA GLY 6 5.400 -1.580 -5.503 38 H GLU 7 H GLU 7 2.357 -1.121 -3.824 39 HA GLU 7 HA GLU 7 1.217 -3.399 -5.283 40 HB2 GLU 7 2HB GLU 7 0.883 -3.092 -2.305 41 HB3 GLU 7 1HB GLU 7 0.465 -4.468 -3.309 42 HG2 GLU 7 2HG GLU 7 2.843 -4.911 -3.687 43 HG3 GLU 7 1HG GLU 7 3.248 -3.553 -2.636 44 H THR 8 H THR 8 -0.995 -3.417 -5.447 45 HA THR 8 HA THR 8 -2.321 -0.893 -4.780 46 HB THR 8 HB THR 8 -4.167 -1.796 -6.256 47 HG1 THR 8 1HG THR 8 -2.710 -3.436 -7.749 48 HG21 THR 8 3HG2 THR 8 -2.960 -1.304 -8.375 49 HG22 THR 8 1HG2 THR 8 -1.443 -1.335 -7.476 50 HG23 THR 8 2HG2 THR 8 -2.661 -0.113 -7.109 51 H CYS 9 H CYS 9 -4.233 -0.936 -3.506 52 HA CYS 9 HA CYS 9 -4.731 -3.557 -2.267 53 HB2 CYS 9 2HB CYS 9 -4.763 -2.668 -0.098 54 HB3 CYS 9 1HB CYS 9 -3.362 -1.939 -0.862 55 H THR 10 H THR 10 -6.235 -2.496 -4.394 56 HA THR 10 HA THR 10 -8.585 -1.206 -3.508 57 HB THR 10 HB THR 10 -7.978 -1.279 -5.882 58 HG1 THR 10 1HG THR 10 -10.483 -2.350 -5.089 59 HG21 THR 10 3HG2 THR 10 -8.935 -4.117 -6.031 60 HG22 THR 10 1HG2 THR 10 -7.236 -3.749 -5.735 61 HG23 THR 10 2HG2 THR 10 -8.014 -3.191 -7.216 62 H LEU 11 H LEU 11 -7.531 -4.512 -3.501 63 HA LEU 11 HA LEU 11 -10.119 -5.601 -2.833 64 HB2 LEU 11 2HB LEU 11 -7.375 -6.861 -2.807 65 HB3 LEU 11 1HB LEU 11 -8.880 -7.723 -2.553 66 HG LEU 11 HG LEU 11 -8.084 -6.305 -5.098 67 HD11 LEU 11 1HD1 LEU 11 -7.956 -9.151 -4.198 68 HD12 LEU 11 2HD1 LEU 11 -6.760 -8.196 -5.075 69 HD13 LEU 11 3HD1 LEU 11 -8.209 -8.769 -5.901 70 HD21 LEU 11 3HD2 LEU 11 -10.588 -7.625 -4.182 71 HD22 LEU 11 1HD2 LEU 11 -10.100 -7.820 -5.866 72 HD23 LEU 11 2HD2 LEU 11 -10.367 -6.207 -5.206 73 H GLY 12 H GLY 12 -7.966 -3.802 -1.140 74 HA2 GLY 12 2HA GLY 12 -7.895 -3.286 1.108 75 HA3 GLY 12 1HA GLY 12 -9.109 -4.522 1.385 76 H THR 13 H THR 13 -5.825 -4.689 0.052 77 HA THR 13 HA THR 13 -4.903 -6.182 2.365 78 HB THR 13 HB THR 13 -4.428 -7.483 -0.286 79 HG1 THR 13 1HG THR 13 -6.842 -7.423 1.130 80 HG21 THR 13 3HG2 THR 13 -4.141 -9.464 1.034 81 HG22 THR 13 1HG2 THR 13 -4.772 -8.658 2.470 82 HG23 THR 13 2HG2 THR 13 -3.221 -8.164 1.793 83 H CYS 14 H CYS 14 -2.632 -6.358 2.455 84 HA CYS 14 HA CYS 14 -0.991 -5.134 0.418 85 HB2 CYS 14 2HB CYS 14 -1.136 -4.064 3.252 86 HB3 CYS 14 1HB CYS 14 0.145 -3.669 2.113 87 H TYR 15 H TYR 15 0.898 -6.182 0.315 88 HA TYR 15 HA TYR 15 1.415 -8.210 2.367 89 HB2 TYR 15 2HB TYR 15 2.426 -7.994 -0.475 90 HB3 TYR 15 1HB TYR 15 2.881 -9.266 0.651 91 HD1 TYR 15 2HD TYR 15 -0.230 -7.713 -0.749 92 HD2 TYR 15 1HD TYR 15 1.751 -11.264 0.503 93 HE1 TYR 15 2HE TYR 15 -2.167 -9.041 -1.475 94 HE2 TYR 15 1HE TYR 15 -0.180 -12.602 -0.225 95 HH TYR 15 HH TYR 15 -2.971 -11.093 -1.806 96 H THR 16 H THR 16 2.664 -5.270 1.078 97 HA THR 16 HA THR 16 5.371 -5.719 1.812 98 HB THR 16 HB THR 16 5.383 -3.115 1.717 99 HG1 THR 16 1HG THR 16 3.010 -3.819 0.253 100 HG21 THR 16 3HG2 THR 16 6.090 -3.301 -0.478 101 HG22 THR 16 1HG2 THR 16 4.850 -4.486 -0.888 102 HG23 THR 16 2HG2 THR 16 6.242 -4.966 0.083 103 H GLN 17 H GLN 17 6.556 -4.742 3.444 104 HA GLN 17 HA GLN 17 5.285 -4.836 5.998 105 HB2 GLN 17 2HB GLN 17 8.113 -4.176 5.203 106 HB3 GLN 17 1HB GLN 17 7.570 -4.313 6.866 107 HG2 GLN 17 2HG GLN 17 7.334 -6.538 4.860 108 HG3 GLN 17 1HG GLN 17 8.714 -6.334 5.938 109 HE21 GLN 17 1HE2 GLN 17 8.603 -7.702 7.559 110 HE22 GLN 17 2HE2 GLN 17 7.177 -8.154 8.420 111 H GLY 18 H GLY 18 4.700 -3.304 7.335 112 HA2 GLY 18 2HA GLY 18 4.259 -1.246 8.242 113 HA3 GLY 18 1HA GLY 18 5.665 -0.646 7.380 114 H CYS 19 H CYS 19 3.626 -2.038 5.190 115 HA CYS 19 HA CYS 19 2.806 0.542 4.205 116 HB2 CYS 19 2HB CYS 19 2.646 -2.258 3.111 117 HB3 CYS 19 1HB CYS 19 2.006 -0.866 2.246 118 H THR 20 H THR 20 0.815 1.360 4.134 119 HA THR 20 HA THR 20 -1.318 -0.203 5.421 120 HB THR 20 HB THR 20 -2.337 2.056 5.946 121 HG1 THR 20 1HG THR 20 0.105 2.853 4.804 122 HG21 THR 20 3HG2 THR 20 -1.305 0.852 7.722 123 HG22 THR 20 1HG2 THR 20 -0.733 2.517 7.832 124 HG23 THR 20 2HG2 THR 20 0.311 1.270 7.151 125 H CYS 21 H CYS 21 -3.350 -0.217 4.484 126 HA CYS 21 HA CYS 21 -3.358 0.172 1.660 127 HB2 CYS 21 2HB CYS 21 -4.564 -1.706 2.623 128 HB3 CYS 21 1HB CYS 21 -5.598 -0.607 3.532 129 H SER 22 H SER 22 -3.803 1.900 0.622 130 HA SER 22 HA SER 22 -5.769 3.810 1.634 131 HB2 SER 22 2HB SER 22 -3.055 4.548 0.491 132 HB3 SER 22 1HB SER 22 -4.338 5.688 0.898 133 HG SER 22 HG SER 22 -3.816 4.069 2.988 134 H TRP 23 H TRP 23 -7.100 2.719 0.201 135 HA TRP 23 HA TRP 23 -6.939 1.815 -2.242 136 HB2 TRP 23 2HB TRP 23 -9.053 2.140 -0.925 137 HB3 TRP 23 1HB TRP 23 -9.129 3.777 -1.569 138 HD1 TRP 23 HD TRP 23 -8.962 0.153 -2.966 139 HE1 TRP 23 1HE TRP 23 -10.373 0.064 -5.117 140 HE3 TRP 23 3HE TRP 23 -10.309 5.077 -3.251 141 HZ2 TRP 23 2HZ TRP 23 -11.857 1.849 -6.720 142 HZ3 TRP 23 3HZ TRP 23 -11.725 5.805 -5.126 143 HH2 TRP 23 HH TRP 23 -12.481 4.223 -6.827 144 HA PRO 24 HA PRO 24 -6.812 1.308 -3.730 145 HB2 PRO 24 2HB PRO 24 -6.092 1.044 -6.295 146 HB3 PRO 24 1HB PRO 24 -7.672 1.692 -5.842 147 HG2 PRO 24 2HG PRO 24 -5.372 3.077 -7.028 148 HG3 PRO 24 1HG PRO 24 -7.061 3.593 -6.938 149 HD2 PRO 24 2HD PRO 24 -4.818 4.289 -5.185 150 HD3 PRO 24 1HD PRO 24 -6.425 5.041 -5.301 151 H ILE 25 H ILE 25 -4.242 2.746 -2.767 152 HA ILE 25 HA ILE 25 -2.392 0.639 -3.709 153 HB ILE 25 HB ILE 25 -0.556 2.144 -3.913 154 HG12 ILE 25 2HG1 ILE 25 -2.448 4.256 -2.858 155 HG13 ILE 25 1HG1 ILE 25 -0.985 3.651 -2.080 156 HG21 ILE 25 1HG2 ILE 25 -3.046 2.911 -5.358 157 HG22 ILE 25 2HG2 ILE 25 -1.580 2.141 -5.965 158 HG23 ILE 25 3HG2 ILE 25 -1.582 3.866 -5.597 159 HD11 ILE 25 3HD1 ILE 25 -1.304 5.815 -3.924 160 HD12 ILE 25 1HD1 ILE 25 -0.192 4.620 -4.589 161 HD13 ILE 25 2HD1 ILE 25 0.118 5.326 -3.003 162 H CYS 26 H CYS 26 -0.563 0.231 -2.355 163 HA CYS 26 HA CYS 26 -1.160 0.633 0.485 164 HB2 CYS 26 2HB CYS 26 0.859 -1.183 -0.864 165 HB3 CYS 26 1HB CYS 26 0.543 -1.119 0.866 166 H LYS 27 H LYS 27 0.031 1.988 1.709 167 HA LYS 27 HA LYS 27 2.615 2.936 0.662 168 HB2 LYS 27 2HB LYS 27 1.962 5.249 1.394 169 HB3 LYS 27 1HB LYS 27 1.092 4.638 -0.006 170 HG2 LYS 27 2HG LYS 27 -0.741 3.968 1.615 171 HG3 LYS 27 1HG LYS 27 0.102 4.958 2.807 172 HD2 LYS 27 2HD LYS 27 -0.863 5.943 0.123 173 HD3 LYS 27 1HD LYS 27 -1.729 6.160 1.644 174 HE2 LYS 27 2HE LYS 27 0.199 7.398 2.536 175 HE3 LYS 27 1HE LYS 27 1.014 7.218 0.984 176 HZ1 LYS 27 3HZ LYS 27 0.040 9.330 0.954 177 HZ2 LYS 27 1HZ LYS 27 -1.426 8.773 1.594 178 HZ3 LYS 27 2HZ LYS 27 -0.989 8.373 0.010 179 H ARG 28 H ARG 28 4.190 3.104 2.144 180 HA ARG 28 HA ARG 28 3.423 2.600 4.934 181 HB2 ARG 28 2HB ARG 28 5.678 1.832 5.332 182 HB3 ARG 28 1HB ARG 28 5.003 0.977 3.963 183 HG2 ARG 28 2HG ARG 28 6.325 2.230 2.427 184 HG3 ARG 28 1HG ARG 28 6.843 3.339 3.700 185 HD2 ARG 28 2HD ARG 28 8.634 1.814 3.303 186 HD3 ARG 28 1HD ARG 28 7.907 1.392 4.852 187 HE ARG 28 HE ARG 28 7.206 -0.614 3.966 188 HH11 ARG 28 1HH1 ARG 28 8.447 1.440 1.423 189 HH12 ARG 28 2HH1 ARG 28 8.352 0.219 0.196 190 HH21 ARG 28 1HH2 ARG 28 7.094 -2.240 2.364 191 HH22 ARG 28 2HH2 ARG 28 7.596 -1.893 0.742 192 H ASN 29 H ASN 29 3.822 4.018 6.465 193 HA ASN 29 HA ASN 29 4.224 6.028 7.457 194 HB2 ASN 29 2HB ASN 29 6.678 5.921 5.687 195 HB3 ASN 29 1HB ASN 29 6.435 7.102 6.968 196 HD21 ASN 29 1HD2 ASN 29 7.430 6.627 8.776 197 HD22 ASN 29 2HD2 ASN 29 7.779 5.043 9.367 Start of MODEL 8 1 H1 GLY 1 H GLY 1 3.047 6.200 5.093 2 HA2 GLY 1 2HA GLY 1 1.952 8.077 4.294 3 HA3 GLY 1 1HA GLY 1 3.308 9.055 4.827 4 H LEU 2 H LEU 2 4.209 6.408 2.879 5 HA LEU 2 HA LEU 2 4.135 8.028 0.433 6 HB2 LEU 2 2HB LEU 2 6.550 6.592 1.544 7 HB3 LEU 2 1HB LEU 2 6.454 7.248 -0.078 8 HG LEU 2 HG LEU 2 6.254 8.895 2.446 9 HD11 LEU 2 1HD1 LEU 2 8.472 9.075 2.494 10 HD12 LEU 2 2HD1 LEU 2 8.564 9.330 0.750 11 HD13 LEU 2 3HD1 LEU 2 8.513 7.692 1.401 12 HD21 LEU 2 3HD2 LEU 2 6.506 10.796 0.957 13 HD22 LEU 2 1HD2 LEU 2 5.088 9.849 0.505 14 HD23 LEU 2 2HD2 LEU 2 6.573 9.719 -0.438 15 HA PRO 3 HA PRO 3 2.740 4.145 -1.234 16 HB2 PRO 3 2HB PRO 3 2.886 4.748 -3.861 17 HB3 PRO 3 1HB PRO 3 1.651 5.441 -2.802 18 HG2 PRO 3 2HG PRO 3 4.207 6.651 -3.779 19 HG3 PRO 3 1HG PRO 3 2.603 7.391 -3.629 20 HD2 PRO 3 2HD PRO 3 4.604 7.749 -1.807 21 HD3 PRO 3 1HD PRO 3 2.881 7.831 -1.396 22 H VAL 4 H VAL 4 5.293 3.903 -0.328 23 HA VAL 4 HA VAL 4 6.887 2.943 -2.593 24 HB VAL 4 HB VAL 4 8.736 2.785 -0.901 25 HG11 VAL 4 1HG1 VAL 4 7.718 4.978 -2.316 26 HG12 VAL 4 2HG1 VAL 4 9.366 4.752 -1.731 27 HG13 VAL 4 3HG1 VAL 4 8.185 5.601 -0.733 28 HG21 VAL 4 3HG2 VAL 4 6.843 4.405 0.802 29 HG22 VAL 4 1HG2 VAL 4 8.523 4.019 1.180 30 HG23 VAL 4 2HG2 VAL 4 7.316 2.734 1.113 31 H CYS 5 H CYS 5 4.873 1.330 -2.162 32 HA CYS 5 HA CYS 5 6.061 -1.004 -0.818 33 HB2 CYS 5 2HB CYS 5 3.099 -0.642 -1.275 34 HB3 CYS 5 1HB CYS 5 3.907 -1.814 -0.227 35 H GLY 6 H GLY 6 4.354 0.298 -3.556 36 HA2 GLY 6 2HA GLY 6 4.376 -0.366 -5.761 37 HA3 GLY 6 1HA GLY 6 5.437 -1.691 -5.308 38 H GLU 7 H GLU 7 2.330 -1.161 -3.788 39 HA GLU 7 HA GLU 7 1.178 -3.370 -5.343 40 HB2 GLU 7 2HB GLU 7 0.900 -3.124 -2.344 41 HB3 GLU 7 1HB GLU 7 0.253 -4.392 -3.367 42 HG2 GLU 7 2HG GLU 7 2.432 -5.254 -3.809 43 HG3 GLU 7 1HG GLU 7 3.188 -3.889 -2.981 44 H THR 8 H THR 8 -1.062 -3.405 -5.431 45 HA THR 8 HA THR 8 -2.346 -0.850 -4.794 46 HB THR 8 HB THR 8 -4.221 -1.722 -6.228 47 HG1 THR 8 1HG THR 8 -2.633 -3.489 -7.586 48 HG21 THR 8 3HG2 THR 8 -1.480 -1.233 -7.360 49 HG22 THR 8 1HG2 THR 8 -2.856 -0.133 -7.278 50 HG23 THR 8 2HG2 THR 8 -2.874 -1.485 -8.410 51 H CYS 9 H CYS 9 -4.198 -0.859 -3.453 52 HA CYS 9 HA CYS 9 -4.634 -3.460 -2.138 53 HB2 CYS 9 2HB CYS 9 -4.702 -2.473 -0.015 54 HB3 CYS 9 1HB CYS 9 -3.352 -1.692 -0.817 55 H THR 10 H THR 10 -6.154 -2.468 -4.335 56 HA THR 10 HA THR 10 -8.580 -1.304 -3.490 57 HB THR 10 HB THR 10 -7.927 -1.349 -5.850 58 HG1 THR 10 1HG THR 10 -10.389 -2.537 -5.095 59 HG21 THR 10 3HG2 THR 10 -6.989 -3.306 -6.502 60 HG22 THR 10 1HG2 THR 10 -8.649 -3.697 -6.947 61 HG23 THR 10 2HG2 THR 10 -7.989 -4.271 -5.416 62 H LEU 11 H LEU 11 -7.365 -4.556 -3.455 63 HA LEU 11 HA LEU 11 -9.909 -5.771 -2.836 64 HB2 LEU 11 2HB LEU 11 -7.109 -6.897 -2.731 65 HB3 LEU 11 1HB LEU 11 -8.582 -7.828 -2.536 66 HG LEU 11 HG LEU 11 -7.777 -6.350 -5.043 67 HD11 LEU 11 1HD1 LEU 11 -6.782 -8.206 -5.782 68 HD12 LEU 11 2HD1 LEU 11 -8.049 -9.250 -5.140 69 HD13 LEU 11 3HD1 LEU 11 -6.742 -8.702 -4.090 70 HD21 LEU 11 3HD2 LEU 11 -10.079 -8.233 -4.538 71 HD22 LEU 11 1HD2 LEU 11 -9.665 -7.474 -6.076 72 HD23 LEU 11 2HD2 LEU 11 -10.208 -6.484 -4.720 73 H GLY 12 H GLY 12 -7.840 -3.887 -1.106 74 HA2 GLY 12 2HA GLY 12 -7.845 -3.353 1.139 75 HA3 GLY 12 1HA GLY 12 -9.020 -4.629 1.398 76 H THR 13 H THR 13 -5.726 -4.735 0.096 77 HA THR 13 HA THR 13 -4.753 -6.119 2.449 78 HB THR 13 HB THR 13 -4.357 -7.534 -0.167 79 HG1 THR 13 1HG THR 13 -6.684 -7.431 1.357 80 HG21 THR 13 3HG2 THR 13 -4.662 -9.102 2.265 81 HG22 THR 13 1HG2 THR 13 -3.366 -7.911 2.382 82 HG23 THR 13 2HG2 THR 13 -3.357 -9.100 1.079 83 H CYS 14 H CYS 14 -2.460 -6.332 2.462 84 HA CYS 14 HA CYS 14 -0.873 -5.164 0.352 85 HB2 CYS 14 2HB CYS 14 -0.991 -3.951 3.129 86 HB3 CYS 14 1HB CYS 14 0.287 -3.617 1.969 87 H TYR 15 H TYR 15 0.894 -6.379 0.176 88 HA TYR 15 HA TYR 15 1.463 -8.333 2.239 89 HB2 TYR 15 2HB TYR 15 2.634 -7.882 -0.508 90 HB3 TYR 15 1HB TYR 15 3.181 -9.150 0.582 91 HD1 TYR 15 1HD TYR 15 -0.156 -7.893 -0.595 92 HD2 TYR 15 2HD TYR 15 2.411 -11.232 0.007 93 HE1 TYR 15 1HE TYR 15 -1.908 -9.388 -1.454 94 HE2 TYR 15 2HE TYR 15 0.666 -12.735 -0.851 95 HH TYR 15 HH TYR 15 -2.380 -11.472 -2.131 96 H THR 16 H THR 16 2.727 -5.286 1.202 97 HA THR 16 HA THR 16 5.359 -5.649 2.163 98 HB THR 16 HB THR 16 5.043 -2.984 2.279 99 HG1 THR 16 1HG THR 16 3.312 -3.931 0.195 100 HG21 THR 16 3HG2 THR 16 5.930 -2.980 -0.034 101 HG22 THR 16 1HG2 THR 16 5.548 -4.697 -0.159 102 HG23 THR 16 2HG2 THR 16 6.749 -4.145 1.008 103 H GLN 17 H GLN 17 6.342 -4.573 3.922 104 HA GLN 17 HA GLN 17 4.729 -4.757 6.333 105 HB2 GLN 17 2HB GLN 17 7.703 -4.293 6.057 106 HB3 GLN 17 1HB GLN 17 6.848 -4.654 7.545 107 HG2 GLN 17 2HG GLN 17 7.901 -6.651 6.879 108 HG3 GLN 17 1HG GLN 17 6.189 -6.850 6.513 109 HE21 GLN 17 1HE2 GLN 17 5.924 -7.930 4.697 110 HE22 GLN 17 2HE2 GLN 17 6.874 -7.766 3.265 111 H GLY 18 H GLY 18 4.089 -3.083 7.523 112 HA2 GLY 18 2HA GLY 18 3.913 -0.935 8.349 113 HA3 GLY 18 1HA GLY 18 5.422 -0.548 7.535 114 H CYS 19 H CYS 19 3.042 -1.950 5.576 115 HA CYS 19 HA CYS 19 2.537 0.632 4.281 116 HB2 CYS 19 2HB CYS 19 2.427 -2.230 3.341 117 HB3 CYS 19 1HB CYS 19 1.736 -0.928 2.386 118 H THR 20 H THR 20 0.519 1.460 4.148 119 HA THR 20 HA THR 20 -1.639 -0.082 5.428 120 HB THR 20 HB THR 20 -2.642 2.168 5.969 121 HG1 THR 20 1HG THR 20 -0.064 3.033 5.099 122 HG21 THR 20 3HG2 THR 20 -1.150 2.598 7.884 123 HG22 THR 20 1HG2 THR 20 0.064 1.543 7.158 124 HG23 THR 20 2HG2 THR 20 -1.484 0.878 7.678 125 H CYS 21 H CYS 21 -3.643 -0.131 4.440 126 HA CYS 21 HA CYS 21 -3.624 0.244 1.638 127 HB2 CYS 21 2HB CYS 21 -4.980 -1.501 2.739 128 HB3 CYS 21 1HB CYS 21 -6.004 -0.248 3.433 129 H SER 22 H SER 22 -3.931 1.956 0.537 130 HA SER 22 HA SER 22 -5.715 4.081 1.470 131 HB2 SER 22 2HB SER 22 -2.938 4.469 0.300 132 HB3 SER 22 1HB SER 22 -4.107 5.763 0.558 133 HG SER 22 HG SER 22 -3.533 4.140 2.745 134 H TRP 23 H TRP 23 -7.045 2.775 0.085 135 HA TRP 23 HA TRP 23 -6.927 1.854 -2.339 136 HB2 TRP 23 2HB TRP 23 -9.024 2.180 -0.991 137 HB3 TRP 23 1HB TRP 23 -9.139 3.796 -1.683 138 HD1 TRP 23 HD TRP 23 -8.922 0.136 -2.976 139 HE1 TRP 23 1HE TRP 23 -10.357 -0.041 -5.107 140 HE3 TRP 23 3HE TRP 23 -10.371 5.023 -3.381 141 HZ2 TRP 23 2HZ TRP 23 -11.898 1.667 -6.738 142 HZ3 TRP 23 3HZ TRP 23 -11.825 5.669 -5.258 143 HH2 TRP 23 HH TRP 23 -12.570 4.024 -6.902 144 HA PRO 24 HA PRO 24 -6.827 1.317 -3.812 145 HB2 PRO 24 2HB PRO 24 -6.078 0.998 -6.372 146 HB3 PRO 24 1HB PRO 24 -7.680 1.601 -5.936 147 HG2 PRO 24 2HG PRO 24 -5.445 3.032 -7.174 148 HG3 PRO 24 1HG PRO 24 -7.146 3.502 -7.065 149 HD2 PRO 24 2HD PRO 24 -4.890 4.292 -5.363 150 HD3 PRO 24 1HD PRO 24 -6.514 5.009 -5.480 151 H ILE 25 H ILE 25 -4.291 2.829 -2.891 152 HA ILE 25 HA ILE 25 -2.388 0.740 -3.774 153 HB ILE 25 HB ILE 25 -0.583 2.293 -3.935 154 HG12 ILE 25 2HG1 ILE 25 -2.555 4.370 -2.953 155 HG13 ILE 25 1HG1 ILE 25 -1.125 3.783 -2.103 156 HG21 ILE 25 1HG2 ILE 25 -1.457 3.881 -5.711 157 HG22 ILE 25 2HG2 ILE 25 -3.049 3.191 -5.396 158 HG23 ILE 25 3HG2 ILE 25 -1.741 2.160 -5.977 159 HD11 ILE 25 3HD1 ILE 25 0.064 4.698 -4.295 160 HD12 ILE 25 1HD1 ILE 25 -0.295 5.726 -2.907 161 HD13 ILE 25 2HD1 ILE 25 -1.361 5.738 -4.312 162 H CYS 26 H CYS 26 -0.580 0.364 -2.366 163 HA CYS 26 HA CYS 26 -1.299 0.627 0.443 164 HB2 CYS 26 2HB CYS 26 0.997 -0.830 -0.894 165 HB3 CYS 26 1HB CYS 26 0.634 -0.880 0.829 166 H LYS 27 H LYS 27 -0.350 2.012 1.817 167 HA LYS 27 HA LYS 27 1.878 3.660 0.800 168 HB2 LYS 27 2HB LYS 27 -0.280 4.825 0.881 169 HB3 LYS 27 1HB LYS 27 -0.436 4.428 2.584 170 HG2 LYS 27 2HG LYS 27 1.672 5.751 2.965 171 HG3 LYS 27 1HG LYS 27 1.519 6.306 1.295 172 HD2 LYS 27 2HD LYS 27 -0.522 6.659 3.491 173 HD3 LYS 27 1HD LYS 27 0.515 7.918 2.817 174 HE2 LYS 27 2HE LYS 27 -0.726 8.119 0.931 175 HE3 LYS 27 1HE LYS 27 -1.136 6.404 0.890 176 HZ1 LYS 27 3HZ LYS 27 -2.279 8.099 2.999 177 HZ2 LYS 27 1HZ LYS 27 -2.905 6.692 2.289 178 HZ3 LYS 27 2HZ LYS 27 -2.943 8.163 1.443 179 H ARG 28 H ARG 28 3.675 3.382 1.898 180 HA ARG 28 HA ARG 28 3.578 2.570 4.717 181 HB2 ARG 28 2HB ARG 28 4.834 1.030 3.377 182 HB3 ARG 28 1HB ARG 28 5.719 2.338 2.616 183 HG2 ARG 28 2HG ARG 28 7.051 2.697 4.472 184 HG3 ARG 28 1HG ARG 28 5.923 1.879 5.557 185 HD2 ARG 28 2HD ARG 28 8.030 0.611 4.998 186 HD3 ARG 28 1HD ARG 28 6.516 -0.248 4.731 187 HE ARG 28 HE ARG 28 7.365 1.054 2.356 188 HH11 ARG 28 1HH1 ARG 28 7.968 -1.730 4.378 189 HH12 ARG 28 2HH1 ARG 28 8.656 -2.681 3.101 190 HH21 ARG 28 1HH2 ARG 28 8.232 -0.201 0.640 191 HH22 ARG 28 2HH2 ARG 28 8.802 -1.809 0.967 192 H ASN 29 H ASN 29 4.347 3.859 6.222 193 HA ASN 29 HA ASN 29 4.816 5.822 7.252 194 HB2 ASN 29 2HB ASN 29 7.101 6.668 6.920 195 HB3 ASN 29 1HB ASN 29 7.050 4.923 7.083 196 HD21 ASN 29 1HD2 ASN 29 8.416 3.937 5.812 197 HD22 ASN 29 2HD2 ASN 29 8.914 4.451 4.241 Start of MODEL 9 1 H1 GLY 1 H GLY 1 2.376 5.814 5.060 2 HA2 GLY 1 2HA GLY 1 1.255 7.367 3.791 3 HA3 GLY 1 1HA GLY 1 2.288 8.605 4.485 4 H LEU 2 H LEU 2 3.905 5.968 2.973 5 HA LEU 2 HA LEU 2 4.306 7.595 0.550 6 HB2 LEU 2 2HB LEU 2 6.372 5.958 2.025 7 HB3 LEU 2 1HB LEU 2 6.635 6.760 0.490 8 HG LEU 2 HG LEU 2 5.995 8.169 3.083 9 HD11 LEU 2 1HD1 LEU 2 8.280 8.763 3.220 10 HD12 LEU 2 2HD1 LEU 2 8.620 8.109 1.618 11 HD13 LEU 2 3HD1 LEU 2 8.235 7.020 2.952 12 HD21 LEU 2 3HD2 LEU 2 6.536 9.110 0.288 13 HD22 LEU 2 1HD2 LEU 2 6.883 10.135 1.681 14 HD23 LEU 2 2HD2 LEU 2 5.237 9.575 1.386 15 HA PRO 3 HA PRO 3 2.923 3.794 -1.347 16 HB2 PRO 3 2HB PRO 3 2.968 4.660 -3.896 17 HB3 PRO 3 1HB PRO 3 1.734 5.186 -2.745 18 HG2 PRO 3 2HG PRO 3 4.210 6.606 -3.646 19 HG3 PRO 3 1HG PRO 3 2.575 7.248 -3.406 20 HD2 PRO 3 2HD PRO 3 4.585 7.531 -1.581 21 HD3 PRO 3 1HD PRO 3 2.866 7.483 -1.143 22 H VAL 4 H VAL 4 5.580 3.675 -0.552 23 HA VAL 4 HA VAL 4 7.023 2.892 -2.984 24 HB VAL 4 HB VAL 4 9.027 2.746 -1.419 25 HG11 VAL 4 1HG1 VAL 4 8.053 5.555 -1.516 26 HG12 VAL 4 2HG1 VAL 4 8.217 4.673 -3.035 27 HG13 VAL 4 3HG1 VAL 4 9.617 4.886 -1.983 28 HG21 VAL 4 3HG2 VAL 4 7.493 2.857 0.641 29 HG22 VAL 4 1HG2 VAL 4 7.449 4.594 0.338 30 HG23 VAL 4 2HG2 VAL 4 8.986 3.795 0.668 31 H CYS 5 H CYS 5 5.214 1.172 -2.587 32 HA CYS 5 HA CYS 5 6.573 -1.181 -1.474 33 HB2 CYS 5 2HB CYS 5 3.583 -0.706 -1.369 34 HB3 CYS 5 1HB CYS 5 4.445 -2.115 -0.735 35 H GLY 6 H GLY 6 4.492 0.239 -3.880 36 HA2 GLY 6 2HA GLY 6 4.266 -0.316 -6.100 37 HA3 GLY 6 1HA GLY 6 5.327 -1.685 -5.828 38 H GLU 7 H GLU 7 2.352 -1.119 -4.017 39 HA GLU 7 HA GLU 7 1.038 -3.196 -5.599 40 HB2 GLU 7 2HB GLU 7 0.164 -4.152 -3.381 41 HB3 GLU 7 1HB GLU 7 1.793 -4.572 -3.886 42 HG2 GLU 7 2HG GLU 7 2.709 -2.926 -2.355 43 HG3 GLU 7 1HG GLU 7 1.076 -2.442 -1.889 44 H THR 8 H THR 8 -1.119 -3.143 -5.682 45 HA THR 8 HA THR 8 -2.407 -0.694 -4.748 46 HB THR 8 HB THR 8 -4.330 -1.487 -6.149 47 HG1 THR 8 1HG THR 8 -3.156 -3.766 -6.068 48 HG21 THR 8 3HG2 THR 8 -3.005 0.105 -7.225 49 HG22 THR 8 1HG2 THR 8 -3.033 -1.232 -8.374 50 HG23 THR 8 2HG2 THR 8 -1.624 -0.985 -7.344 51 H CYS 9 H CYS 9 -4.266 -0.785 -3.374 52 HA CYS 9 HA CYS 9 -4.682 -3.453 -2.198 53 HB2 CYS 9 2HB CYS 9 -4.689 -2.604 -0.009 54 HB3 CYS 9 1HB CYS 9 -3.309 -1.855 -0.789 55 H THR 10 H THR 10 -6.303 -2.338 -4.247 56 HA THR 10 HA THR 10 -8.634 -1.136 -3.206 57 HB THR 10 HB THR 10 -8.107 -1.143 -5.615 58 HG1 THR 10 1HG THR 10 -10.594 -2.178 -4.723 59 HG21 THR 10 3HG2 THR 10 -8.986 -3.319 -6.807 60 HG22 THR 10 1HG2 THR 10 -8.511 -4.080 -5.288 61 HG23 THR 10 2HG2 THR 10 -7.317 -3.208 -6.249 62 H LEU 11 H LEU 11 -7.487 -4.390 -3.280 63 HA LEU 11 HA LEU 11 -10.015 -5.603 -2.597 64 HB2 LEU 11 2HB LEU 11 -7.213 -6.732 -2.592 65 HB3 LEU 11 1HB LEU 11 -8.675 -7.665 -2.341 66 HG LEU 11 HG LEU 11 -7.958 -6.190 -4.877 67 HD11 LEU 11 1HD1 LEU 11 -8.127 -8.812 -5.525 68 HD12 LEU 11 2HD1 LEU 11 -7.446 -8.912 -3.902 69 HD13 LEU 11 3HD1 LEU 11 -6.621 -7.974 -5.148 70 HD21 LEU 11 3HD2 LEU 11 -10.275 -8.014 -4.242 71 HD22 LEU 11 1HD2 LEU 11 -9.893 -7.348 -5.829 72 HD23 LEU 11 2HD2 LEU 11 -10.366 -6.274 -4.513 73 H GLY 12 H GLY 12 -7.703 -3.856 -0.924 74 HA2 GLY 12 2HA GLY 12 -7.683 -3.303 1.328 75 HA3 GLY 12 1HA GLY 12 -8.876 -4.557 1.615 76 H THR 13 H THR 13 -5.613 -4.696 0.223 77 HA THR 13 HA THR 13 -4.580 -6.101 2.530 78 HB THR 13 HB THR 13 -4.340 -7.569 -0.077 79 HG1 THR 13 1HG THR 13 -6.589 -7.408 1.569 80 HG21 THR 13 3HG2 THR 13 -3.673 -9.377 1.214 81 HG22 THR 13 1HG2 THR 13 -4.480 -8.770 2.661 82 HG23 THR 13 2HG2 THR 13 -2.991 -8.011 2.097 83 H CYS 14 H CYS 14 -2.285 -6.376 2.428 84 HA CYS 14 HA CYS 14 -0.819 -5.199 0.227 85 HB2 CYS 14 2HB CYS 14 -0.490 -4.214 3.075 86 HB3 CYS 14 1HB CYS 14 0.494 -3.727 1.703 87 H TYR 15 H TYR 15 0.952 -6.333 -0.123 88 HA TYR 15 HA TYR 15 1.570 -8.546 1.647 89 HB2 TYR 15 2HB TYR 15 2.589 -7.802 -1.096 90 HB3 TYR 15 1HB TYR 15 3.140 -9.212 -0.202 91 HD1 TYR 15 2HD TYR 15 -0.150 -7.676 -1.153 92 HD2 TYR 15 1HD TYR 15 2.205 -11.205 -0.840 93 HE1 TYR 15 2HE TYR 15 -2.007 -8.991 -2.082 94 HE2 TYR 15 1HE TYR 15 0.356 -12.528 -1.772 95 HH TYR 15 HH TYR 15 -2.684 -10.990 -2.771 96 H THR 16 H THR 16 2.992 -5.496 0.671 97 HA THR 16 HA THR 16 5.593 -6.117 1.653 98 HB THR 16 HB THR 16 6.077 -3.731 1.527 99 HG1 THR 16 1HG THR 16 3.337 -3.571 0.709 100 HG21 THR 16 3HG2 THR 16 4.968 -3.832 -1.069 101 HG22 THR 16 1HG2 THR 16 5.357 -5.492 -0.615 102 HG23 THR 16 2HG2 THR 16 6.609 -4.248 -0.574 103 H GLN 17 H GLN 17 6.637 -5.311 3.477 104 HA GLN 17 HA GLN 17 4.952 -5.234 5.818 105 HB2 GLN 17 2HB GLN 17 7.009 -6.548 5.849 106 HB3 GLN 17 1HB GLN 17 7.956 -5.102 5.544 107 HG2 GLN 17 2HG GLN 17 8.078 -5.744 7.876 108 HG3 GLN 17 1HG GLN 17 7.270 -4.188 7.696 109 HE21 GLN 17 1HE2 GLN 17 5.655 -3.981 9.058 110 HE22 GLN 17 2HE2 GLN 17 4.568 -5.229 9.554 111 H GLY 18 H GLY 18 4.471 -3.538 7.026 112 HA2 GLY 18 2HA GLY 18 4.710 -1.398 7.957 113 HA3 GLY 18 1HA GLY 18 5.951 -1.044 6.768 114 H CYS 19 H CYS 19 3.917 -2.150 4.706 115 HA CYS 19 HA CYS 19 2.885 0.420 4.011 116 HB2 CYS 19 2HB CYS 19 3.435 -1.929 2.620 117 HB3 CYS 19 1HB CYS 19 1.686 -1.772 2.540 118 H THR 20 H THR 20 0.767 1.091 3.882 119 HA THR 20 HA THR 20 -1.202 -0.555 5.325 120 HB THR 20 HB THR 20 -2.188 1.606 6.190 121 HG1 THR 20 1HG THR 20 0.085 2.587 4.904 122 HG21 THR 20 3HG2 THR 20 -0.336 1.906 7.949 123 HG22 THR 20 1HG2 THR 20 0.498 0.612 7.090 124 HG23 THR 20 2HG2 THR 20 -1.088 0.318 7.803 125 H CYS 21 H CYS 21 -3.268 -0.522 4.465 126 HA CYS 21 HA CYS 21 -3.428 0.073 1.723 127 HB2 CYS 21 2HB CYS 21 -4.762 -1.700 2.828 128 HB3 CYS 21 1HB CYS 21 -5.729 -0.451 3.607 129 H SER 22 H SER 22 -3.750 1.862 0.741 130 HA SER 22 HA SER 22 -5.428 3.955 1.912 131 HB2 SER 22 2HB SER 22 -2.703 4.362 0.646 132 HB3 SER 22 1HB SER 22 -3.813 5.658 1.083 133 HG SER 22 HG SER 22 -3.386 3.959 3.157 134 H TRP 23 H TRP 23 -6.782 2.667 0.440 135 HA TRP 23 HA TRP 23 -6.828 2.012 -2.045 136 HB2 TRP 23 2HB TRP 23 -8.842 2.292 -0.538 137 HB3 TRP 23 1HB TRP 23 -8.971 3.935 -1.156 138 HD1 TRP 23 HD TRP 23 -8.831 0.341 -2.643 139 HE1 TRP 23 1HE TRP 23 -10.401 0.265 -4.681 140 HE3 TRP 23 3HE TRP 23 -10.336 5.228 -2.683 141 HZ2 TRP 23 2HZ TRP 23 -12.057 2.045 -6.113 142 HZ3 TRP 23 3HZ TRP 23 -11.914 5.960 -4.423 143 HH2 TRP 23 HH TRP 23 -12.755 4.401 -6.104 144 HA PRO 24 HA PRO 24 -7.035 1.634 -3.628 145 HB2 PRO 24 2HB PRO 24 -6.340 1.490 -6.226 146 HB3 PRO 24 1HB PRO 24 -7.896 2.132 -5.697 147 HG2 PRO 24 2HG PRO 24 -5.603 3.546 -6.849 148 HG3 PRO 24 1HG PRO 24 -7.281 4.081 -6.687 149 HD2 PRO 24 2HD PRO 24 -4.991 4.685 -4.989 150 HD3 PRO 24 1HD PRO 24 -6.615 5.403 -4.971 151 H ILE 25 H ILE 25 -4.293 2.999 -2.817 152 HA ILE 25 HA ILE 25 -2.692 0.670 -3.664 153 HB ILE 25 HB ILE 25 -0.752 1.937 -4.129 154 HG12 ILE 25 2HG1 ILE 25 -2.277 4.328 -3.080 155 HG13 ILE 25 1HG1 ILE 25 -0.853 3.576 -2.359 156 HG21 ILE 25 1HG2 ILE 25 -2.164 3.863 -5.625 157 HG22 ILE 25 2HG2 ILE 25 -3.175 2.421 -5.555 158 HG23 ILE 25 3HG2 ILE 25 -1.526 2.312 -6.170 159 HD11 ILE 25 3HD1 ILE 25 -1.056 5.580 -4.456 160 HD12 ILE 25 1HD1 ILE 25 0.005 4.237 -4.885 161 HD13 ILE 25 2HD1 ILE 25 0.300 5.158 -3.409 162 H CYS 26 H CYS 26 -0.840 0.217 -2.334 163 HA CYS 26 HA CYS 26 -1.401 0.731 0.465 164 HB2 CYS 26 2HB CYS 26 0.720 -0.972 -0.866 165 HB3 CYS 26 1HB CYS 26 0.437 -0.888 0.869 166 H LYS 27 H LYS 27 -0.165 1.967 1.809 167 HA LYS 27 HA LYS 27 2.246 3.235 0.695 168 HB2 LYS 27 2HB LYS 27 0.009 4.635 2.177 169 HB3 LYS 27 1HB LYS 27 1.557 5.367 1.784 170 HG2 LYS 27 2HG LYS 27 1.093 5.356 -0.521 171 HG3 LYS 27 1HG LYS 27 -0.276 4.264 -0.313 172 HD2 LYS 27 2HD LYS 27 -1.384 6.064 1.041 173 HD3 LYS 27 1HD LYS 27 -0.072 7.141 0.557 174 HE2 LYS 27 2HE LYS 27 -0.687 7.017 -1.723 175 HE3 LYS 27 1HE LYS 27 -1.771 5.658 -1.431 176 HZ1 LYS 27 3HZ LYS 27 -2.359 8.398 -1.369 177 HZ2 LYS 27 1HZ LYS 27 -2.598 7.775 0.187 178 HZ3 LYS 27 2HZ LYS 27 -3.409 7.092 -1.131 179 H ARG 28 H ARG 28 3.923 3.196 2.052 180 HA ARG 28 HA ARG 28 3.415 2.367 4.826 181 HB2 ARG 28 2HB ARG 28 5.884 1.827 4.834 182 HB3 ARG 28 1HB ARG 28 4.896 0.835 3.778 183 HG2 ARG 28 2HG ARG 28 5.585 2.366 1.896 184 HG3 ARG 28 1HG ARG 28 6.756 3.064 3.015 185 HD2 ARG 28 2HD ARG 28 6.606 0.154 2.241 186 HD3 ARG 28 1HD ARG 28 7.730 1.326 1.558 187 HE ARG 28 HE ARG 28 7.976 1.278 4.368 188 HH11 ARG 28 1HH1 ARG 28 8.709 -0.600 1.520 189 HH12 ARG 28 2HH1 ARG 28 10.063 -1.412 2.234 190 HH21 ARG 28 1HH2 ARG 28 9.771 0.214 5.335 191 HH22 ARG 28 2HH2 ARG 28 10.671 -0.946 4.416 192 H ASN 29 H ASN 29 3.549 3.833 6.303 193 HA ASN 29 HA ASN 29 3.918 5.801 7.394 194 HB2 ASN 29 2HB ASN 29 6.362 4.877 6.966 195 HB3 ASN 29 1HB ASN 29 6.463 6.253 5.871 196 HD21 ASN 29 1HD2 ASN 29 7.370 5.350 8.775 197 HD22 ASN 29 2HD2 ASN 29 7.262 6.836 9.645 Start of MODEL 10 1 H1 GLY 1 H GLY 1 3.252 5.781 5.349 2 HA2 GLY 1 2HA GLY 1 2.161 7.676 4.607 3 HA3 GLY 1 1HA GLY 1 3.525 8.632 5.164 4 H LEU 2 H LEU 2 4.398 6.050 3.112 5 HA LEU 2 HA LEU 2 4.370 7.799 0.748 6 HB2 LEU 2 2HB LEU 2 6.684 6.112 1.711 7 HB3 LEU 2 1HB LEU 2 6.622 6.927 0.162 8 HG LEU 2 HG LEU 2 6.557 8.331 2.835 9 HD11 LEU 2 1HD1 LEU 2 8.878 9.075 1.994 10 HD12 LEU 2 2HD1 LEU 2 8.792 7.646 0.964 11 HD13 LEU 2 3HD1 LEU 2 8.713 7.474 2.718 12 HD21 LEU 2 3HD2 LEU 2 5.682 9.945 1.525 13 HD22 LEU 2 1HD2 LEU 2 6.258 9.197 0.035 14 HD23 LEU 2 2HD2 LEU 2 7.358 10.162 1.020 15 HA PRO 3 HA PRO 3 2.580 4.080 -0.961 16 HB2 PRO 3 2HB PRO 3 2.663 5.425 -3.539 17 HB3 PRO 3 1HB PRO 3 1.264 5.021 -2.544 18 HG2 PRO 3 2HG PRO 3 2.096 7.573 -2.955 19 HG3 PRO 3 1HG PRO 3 1.276 7.051 -1.472 20 HD2 PRO 3 2HD PRO 3 4.199 7.485 -1.968 21 HD3 PRO 3 1HD PRO 3 3.217 7.934 -0.557 22 H VAL 4 H VAL 4 5.313 3.856 -0.589 23 HA VAL 4 HA VAL 4 6.370 3.084 -3.217 24 HB VAL 4 HB VAL 4 8.557 2.870 -1.987 25 HG11 VAL 4 1HG1 VAL 4 9.080 4.996 -2.580 26 HG12 VAL 4 2HG1 VAL 4 7.720 5.688 -1.696 27 HG13 VAL 4 3HG1 VAL 4 7.460 4.948 -3.275 28 HG21 VAL 4 3HG2 VAL 4 8.028 2.733 0.276 29 HG22 VAL 4 1HG2 VAL 4 6.875 4.065 0.183 30 HG23 VAL 4 2HG2 VAL 4 8.607 4.391 0.100 31 H CYS 5 H CYS 5 4.476 1.403 -2.200 32 HA CYS 5 HA CYS 5 5.953 -0.894 -1.135 33 HB2 CYS 5 2HB CYS 5 2.965 -0.709 -1.542 34 HB3 CYS 5 1HB CYS 5 3.853 -1.883 -0.561 35 H GLY 6 H GLY 6 4.081 0.218 -3.870 36 HA2 GLY 6 2HA GLY 6 4.220 -0.482 -6.074 37 HA3 GLY 6 1HA GLY 6 5.279 -1.787 -5.562 38 H GLU 7 H GLU 7 2.177 -1.246 -4.065 39 HA GLU 7 HA GLU 7 1.006 -3.460 -5.591 40 HB2 GLU 7 2HB GLU 7 0.812 -3.221 -2.583 41 HB3 GLU 7 1HB GLU 7 0.085 -4.462 -3.583 42 HG2 GLU 7 2HG GLU 7 2.202 -5.408 -4.104 43 HG3 GLU 7 1HG GLU 7 3.050 -4.065 -3.330 44 H THR 8 H THR 8 -1.238 -3.492 -5.633 45 HA THR 8 HA THR 8 -2.492 -0.927 -4.987 46 HB THR 8 HB THR 8 -4.410 -1.808 -6.360 47 HG1 THR 8 1HG THR 8 -2.860 -3.584 -7.750 48 HG21 THR 8 3HG2 THR 8 -2.758 -0.226 -7.278 49 HG22 THR 8 1HG2 THR 8 -3.372 -1.327 -8.511 50 HG23 THR 8 2HG2 THR 8 -1.771 -1.584 -7.817 51 H CYS 9 H CYS 9 -4.292 -0.903 -3.591 52 HA CYS 9 HA CYS 9 -4.704 -3.484 -2.235 53 HB2 CYS 9 2HB CYS 9 -4.739 -2.462 -0.129 54 HB3 CYS 9 1HB CYS 9 -3.407 -1.692 -0.969 55 H THR 10 H THR 10 -6.276 -2.550 -4.424 56 HA THR 10 HA THR 10 -8.701 -1.413 -3.504 57 HB THR 10 HB THR 10 -8.054 -1.424 -5.890 58 HG1 THR 10 1HG THR 10 -10.548 -2.541 -5.113 59 HG21 THR 10 3HG2 THR 10 -7.245 -3.397 -6.630 60 HG22 THR 10 1HG2 THR 10 -8.941 -3.725 -6.987 61 HG23 THR 10 2HG2 THR 10 -8.218 -4.338 -5.499 62 H LEU 11 H LEU 11 -7.369 -4.575 -3.400 63 HA LEU 11 HA LEU 11 -9.859 -5.938 -2.870 64 HB2 LEU 11 2HB LEU 11 -6.985 -6.835 -2.623 65 HB3 LEU 11 1HB LEU 11 -8.354 -7.862 -2.261 66 HG LEU 11 HG LEU 11 -7.726 -8.520 -4.392 67 HD11 LEU 11 1HD1 LEU 11 -10.067 -8.233 -4.415 68 HD12 LEU 11 2HD1 LEU 11 -9.469 -7.602 -5.949 69 HD13 LEU 11 3HD1 LEU 11 -9.925 -6.493 -4.657 70 HD21 LEU 11 3HD2 LEU 11 -6.960 -5.702 -4.732 71 HD22 LEU 11 1HD2 LEU 11 -7.571 -6.510 -6.175 72 HD23 LEU 11 2HD2 LEU 11 -6.183 -7.174 -5.314 73 H GLY 12 H GLY 12 -7.653 -4.065 -1.126 74 HA2 GLY 12 2HA GLY 12 -7.882 -3.335 1.078 75 HA3 GLY 12 1HA GLY 12 -9.033 -4.631 1.362 76 H THR 13 H THR 13 -5.734 -4.790 0.104 77 HA THR 13 HA THR 13 -4.719 -5.942 2.557 78 HB THR 13 HB THR 13 -4.423 -7.631 0.085 79 HG1 THR 13 1HG THR 13 -6.665 -7.378 1.718 80 HG21 THR 13 3HG2 THR 13 -2.959 -7.942 2.106 81 HG22 THR 13 1HG2 THR 13 -3.869 -9.372 1.618 82 HG23 THR 13 2HG2 THR 13 -4.408 -8.413 2.996 83 H CYS 14 H CYS 14 -2.403 -6.232 2.485 84 HA CYS 14 HA CYS 14 -0.918 -5.208 0.225 85 HB2 CYS 14 2HB CYS 14 -0.816 -3.892 2.957 86 HB3 CYS 14 1HB CYS 14 0.349 -3.603 1.672 87 H TYR 15 H TYR 15 0.836 -6.437 0.007 88 HA TYR 15 HA TYR 15 1.476 -8.337 2.104 89 HB2 TYR 15 2HB TYR 15 2.498 -8.007 -0.720 90 HB3 TYR 15 1HB TYR 15 3.082 -9.246 0.383 91 HD1 TYR 15 1HD TYR 15 -0.285 -7.963 -0.674 92 HD2 TYR 15 2HD TYR 15 2.235 -11.334 -0.045 93 HE1 TYR 15 1HE TYR 15 -2.111 -9.450 -1.372 94 HE2 TYR 15 2HE TYR 15 0.413 -12.830 -0.745 95 HH TYR 15 HH TYR 15 -2.691 -11.544 -1.876 96 H THR 16 H THR 16 2.726 -5.352 0.910 97 HA THR 16 HA THR 16 5.410 -5.729 1.705 98 HB THR 16 HB THR 16 5.072 -3.037 1.777 99 HG1 THR 16 1HG THR 16 3.324 -4.105 -0.234 100 HG21 THR 16 3HG2 THR 16 6.798 -4.129 0.522 101 HG22 THR 16 1HG2 THR 16 5.868 -3.134 -0.599 102 HG23 THR 16 2HG2 THR 16 5.617 -4.879 -0.552 103 H GLN 17 H GLN 17 6.525 -4.544 3.346 104 HA GLN 17 HA GLN 17 5.233 -4.835 5.897 105 HB2 GLN 17 2HB GLN 17 7.537 -5.572 5.573 106 HB3 GLN 17 1HB GLN 17 8.025 -3.926 5.211 107 HG2 GLN 17 2HG GLN 17 8.635 -4.557 7.475 108 HG3 GLN 17 1HG GLN 17 7.463 -3.240 7.471 109 HE21 GLN 17 1HE2 GLN 17 6.101 -3.449 9.088 110 HE22 GLN 17 2HE2 GLN 17 5.406 -4.925 9.656 111 H GLY 18 H GLY 18 4.470 -3.360 7.177 112 HA2 GLY 18 2HA GLY 18 3.839 -1.341 8.063 113 HA3 GLY 18 1HA GLY 18 5.299 -0.672 7.353 114 H CYS 19 H CYS 19 3.118 -2.195 5.204 115 HA CYS 19 HA CYS 19 2.474 0.397 4.049 116 HB2 CYS 19 2HB CYS 19 2.301 -2.432 3.035 117 HB3 CYS 19 1HB CYS 19 1.614 -1.084 2.141 118 H THR 20 H THR 20 0.507 1.264 3.999 119 HA THR 20 HA THR 20 -1.674 -0.251 5.269 120 HB THR 20 HB THR 20 -2.615 2.021 5.849 121 HG1 THR 20 1HG THR 20 -0.003 2.841 5.025 122 HG21 THR 20 3HG2 THR 20 -0.332 2.343 7.421 123 HG22 THR 20 1HG2 THR 20 -0.395 0.618 7.057 124 HG23 THR 20 2HG2 THR 20 -1.772 1.409 7.823 125 H CYS 21 H CYS 21 -3.707 -0.183 4.308 126 HA CYS 21 HA CYS 21 -3.674 0.212 1.503 127 HB2 CYS 21 2HB CYS 21 -5.066 -1.516 2.594 128 HB3 CYS 21 1HB CYS 21 -6.066 -0.243 3.291 129 H SER 22 H SER 22 -3.983 1.923 0.408 130 HA SER 22 HA SER 22 -5.701 4.084 1.378 131 HB2 SER 22 2HB SER 22 -2.930 4.430 0.177 132 HB3 SER 22 1HB SER 22 -4.067 5.743 0.481 133 HG SER 22 HG SER 22 -3.518 4.074 2.631 134 H TRP 23 H TRP 23 -7.007 2.704 -0.002 135 HA TRP 23 HA TRP 23 -6.937 1.817 -2.425 136 HB2 TRP 23 2HB TRP 23 -9.010 2.118 -1.037 137 HB3 TRP 23 1HB TRP 23 -9.155 3.735 -1.722 138 HD1 TRP 23 HD TRP 23 -8.961 0.072 -3.004 139 HE1 TRP 23 1HE TRP 23 -10.424 -0.112 -5.116 140 HE3 TRP 23 3HE TRP 23 -10.384 4.965 -3.426 141 HZ2 TRP 23 2HZ TRP 23 -11.974 1.598 -6.742 142 HZ3 TRP 23 3HZ TRP 23 -11.857 5.609 -5.289 143 HH2 TRP 23 HH TRP 23 -12.633 3.959 -6.913 144 HA PRO 24 HA PRO 24 -6.834 1.274 -3.893 145 HB2 PRO 24 2HB PRO 24 -6.114 0.953 -6.455 146 HB3 PRO 24 1HB PRO 24 -7.716 1.550 -6.011 147 HG2 PRO 24 2HG PRO 24 -5.480 2.989 -7.254 148 HG3 PRO 24 1HG PRO 24 -7.191 3.434 -7.178 149 HD2 PRO 24 2HD PRO 24 -4.980 4.300 -5.467 150 HD3 PRO 24 1HD PRO 24 -6.627 4.959 -5.587 151 H ILE 25 H ILE 25 -4.329 2.856 -3.015 152 HA ILE 25 HA ILE 25 -2.367 0.838 -3.936 153 HB ILE 25 HB ILE 25 -0.617 2.462 -4.022 154 HG12 ILE 25 2HG1 ILE 25 -2.680 4.374 -2.918 155 HG13 ILE 25 1HG1 ILE 25 -1.156 3.888 -2.175 156 HG21 ILE 25 1HG2 ILE 25 -1.228 3.676 -5.932 157 HG22 ILE 25 2HG2 ILE 25 -2.910 3.806 -5.419 158 HG23 ILE 25 3HG2 ILE 25 -2.268 2.252 -5.952 159 HD11 ILE 25 3HD1 ILE 25 0.016 5.029 -4.068 160 HD12 ILE 25 1HD1 ILE 25 -0.896 6.096 -3.000 161 HD13 ILE 25 2HD1 ILE 25 -1.551 5.656 -4.577 162 H CYS 26 H CYS 26 -0.554 0.469 -2.532 163 HA CYS 26 HA CYS 26 -1.296 0.639 0.282 164 HB2 CYS 26 2HB CYS 26 0.951 -0.841 -1.107 165 HB3 CYS 26 1HB CYS 26 0.633 -0.899 0.625 166 H LYS 27 H LYS 27 -0.256 1.889 1.742 167 HA LYS 27 HA LYS 27 2.003 3.544 0.785 168 HB2 LYS 27 2HB LYS 27 -0.112 4.776 0.886 169 HB3 LYS 27 1HB LYS 27 -0.326 4.296 2.559 170 HG2 LYS 27 2HG LYS 27 1.823 5.535 3.047 171 HG3 LYS 27 1HG LYS 27 1.687 6.200 1.415 172 HD2 LYS 27 2HD LYS 27 -0.344 6.451 3.633 173 HD3 LYS 27 1HD LYS 27 0.704 7.733 3.022 174 HE2 LYS 27 2HE LYS 27 -0.561 8.069 1.177 175 HE3 LYS 27 1HE LYS 27 -0.962 6.360 1.012 176 HZ1 LYS 27 3HZ LYS 27 -2.109 7.803 3.278 177 HZ2 LYS 27 1HZ LYS 27 -2.765 6.547 2.348 178 HZ3 LYS 27 2HZ LYS 27 -2.743 8.131 1.745 179 H ARG 28 H ARG 28 3.802 3.140 1.913 180 HA ARG 28 HA ARG 28 3.551 2.287 4.719 181 HB2 ARG 28 2HB ARG 28 5.852 1.399 4.479 182 HB3 ARG 28 1HB ARG 28 4.700 0.629 3.402 183 HG2 ARG 28 2HG ARG 28 5.517 1.971 1.544 184 HG3 ARG 28 1HG ARG 28 6.645 2.793 2.624 185 HD2 ARG 28 2HD ARG 28 6.626 -0.154 1.976 186 HD3 ARG 28 1HD ARG 28 7.764 1.039 1.351 187 HE ARG 28 HE ARG 28 7.809 1.096 4.163 188 HH11 ARG 28 1HH1 ARG 28 8.762 -0.944 1.490 189 HH12 ARG 28 2HH1 ARG 28 10.069 -1.689 2.348 190 HH21 ARG 28 1HH2 ARG 28 9.527 0.120 5.314 191 HH22 ARG 28 2HH2 ARG 28 10.506 -1.079 4.540 192 H ASN 29 H ASN 29 4.403 3.472 6.284 193 HA ASN 29 HA ASN 29 5.244 5.291 7.371 194 HB2 ASN 29 2HB ASN 29 7.335 5.089 5.189 195 HB3 ASN 29 1HB ASN 29 7.495 6.068 6.643 196 HD21 ASN 29 1HD2 ASN 29 8.551 5.176 8.251 197 HD22 ASN 29 2HD2 ASN 29 8.770 3.483 8.513 Start of MODEL 11 1 H1 GLY 1 H GLY 1 3.232 6.231 5.451 2 HA2 GLY 1 2HA GLY 1 2.179 8.138 4.678 3 HA3 GLY 1 1HA GLY 1 3.567 9.072 5.210 4 H LEU 2 H LEU 2 4.409 6.451 3.208 5 HA LEU 2 HA LEU 2 4.364 8.149 0.807 6 HB2 LEU 2 2HB LEU 2 6.682 6.480 1.794 7 HB3 LEU 2 1HB LEU 2 6.606 7.239 0.216 8 HG LEU 2 HG LEU 2 6.592 8.729 2.843 9 HD11 LEU 2 1HD1 LEU 2 8.886 9.457 1.770 10 HD12 LEU 2 2HD1 LEU 2 8.765 7.874 1.003 11 HD13 LEU 2 3HD1 LEU 2 8.757 8.005 2.762 12 HD21 LEU 2 3HD2 LEU 2 7.088 9.877 0.117 13 HD22 LEU 2 1HD2 LEU 2 6.664 10.711 1.613 14 HD23 LEU 2 2HD2 LEU 2 5.456 9.738 0.772 15 HA PRO 3 HA PRO 3 2.532 4.377 -0.745 16 HB2 PRO 3 2HB PRO 3 2.409 5.684 -3.332 17 HB3 PRO 3 1HB PRO 3 1.091 5.295 -2.227 18 HG2 PRO 3 2HG PRO 3 1.890 7.842 -2.760 19 HG3 PRO 3 1HG PRO 3 1.147 7.353 -1.227 20 HD2 PRO 3 2HD PRO 3 4.037 7.796 -1.879 21 HD3 PRO 3 1HD PRO 3 3.127 8.255 -0.423 22 H VAL 4 H VAL 4 5.299 4.272 -0.550 23 HA VAL 4 HA VAL 4 6.190 3.459 -3.227 24 HB VAL 4 HB VAL 4 8.479 3.389 -2.154 25 HG11 VAL 4 1HG1 VAL 4 8.774 5.829 -2.357 26 HG12 VAL 4 2HG1 VAL 4 7.020 6.021 -2.347 27 HG13 VAL 4 3HG1 VAL 4 7.805 5.159 -3.670 28 HG21 VAL 4 3HG2 VAL 4 8.622 5.030 -0.177 29 HG22 VAL 4 1HG2 VAL 4 8.102 3.376 0.147 30 HG23 VAL 4 2HG2 VAL 4 6.910 4.672 0.053 31 H CYS 5 H CYS 5 4.488 1.699 -2.093 32 HA CYS 5 HA CYS 5 6.137 -0.457 -0.993 33 HB2 CYS 5 2HB CYS 5 3.131 -0.434 -1.345 34 HB3 CYS 5 1HB CYS 5 4.086 -1.593 -0.413 35 H GLY 6 H GLY 6 4.219 0.458 -3.762 36 HA2 GLY 6 2HA GLY 6 4.343 -0.325 -5.933 37 HA3 GLY 6 1HA GLY 6 5.521 -1.516 -5.398 38 H GLU 7 H GLU 7 2.398 -1.127 -3.900 39 HA GLU 7 HA GLU 7 1.395 -3.526 -5.245 40 HB2 GLU 7 2HB GLU 7 1.358 -3.068 -2.262 41 HB3 GLU 7 1HB GLU 7 0.540 -4.379 -3.093 42 HG2 GLU 7 2HG GLU 7 2.652 -5.305 -3.800 43 HG3 GLU 7 1HG GLU 7 3.517 -3.949 -3.074 44 H THR 8 H THR 8 -0.862 -3.745 -5.190 45 HA THR 8 HA THR 8 -2.275 -1.198 -4.862 46 HB THR 8 HB THR 8 -4.071 -2.273 -6.213 47 HG1 THR 8 1HG THR 8 -2.869 -4.474 -5.661 48 HG21 THR 8 3HG2 THR 8 -1.332 -1.721 -7.209 49 HG22 THR 8 1HG2 THR 8 -2.862 -0.945 -7.615 50 HG23 THR 8 2HG2 THR 8 -2.446 -2.502 -8.331 51 H CYS 9 H CYS 9 -4.116 -1.060 -3.595 52 HA CYS 9 HA CYS 9 -4.708 -3.459 -1.989 53 HB2 CYS 9 2HB CYS 9 -3.496 -1.552 -0.775 54 HB3 CYS 9 1HB CYS 9 -5.009 -0.665 -0.923 55 H THR 10 H THR 10 -6.095 -2.913 -4.347 56 HA THR 10 HA THR 10 -8.503 -1.497 -3.720 57 HB THR 10 HB THR 10 -7.724 -1.720 -6.055 58 HG1 THR 10 1HG THR 10 -10.298 -2.704 -5.360 59 HG21 THR 10 3HG2 THR 10 -8.555 -4.020 -7.092 60 HG22 THR 10 1HG2 THR 10 -8.121 -4.604 -5.485 61 HG23 THR 10 2HG2 THR 10 -6.912 -3.805 -6.489 62 H LEU 11 H LEU 11 -7.303 -4.685 -3.318 63 HA LEU 11 HA LEU 11 -9.866 -5.904 -2.790 64 HB2 LEU 11 2HB LEU 11 -7.052 -6.926 -2.363 65 HB3 LEU 11 1HB LEU 11 -8.497 -7.860 -2.037 66 HG LEU 11 HG LEU 11 -7.818 -8.662 -4.094 67 HD11 LEU 11 1HD1 LEU 11 -9.957 -8.420 -4.696 68 HD12 LEU 11 2HD1 LEU 11 -9.324 -7.188 -5.788 69 HD13 LEU 11 3HD1 LEU 11 -10.005 -6.719 -4.231 70 HD21 LEU 11 3HD2 LEU 11 -6.741 -7.512 -5.790 71 HD22 LEU 11 1HD2 LEU 11 -6.123 -6.738 -4.331 72 HD23 LEU 11 2HD2 LEU 11 -7.385 -5.952 -5.278 73 H GLY 12 H GLY 12 -7.536 -4.090 -1.051 74 HA2 GLY 12 2HA GLY 12 -7.861 -3.220 1.108 75 HA3 GLY 12 1HA GLY 12 -9.053 -4.480 1.411 76 H THR 13 H THR 13 -5.855 -5.000 0.101 77 HA THR 13 HA THR 13 -4.854 -6.049 2.630 78 HB THR 13 HB THR 13 -4.000 -8.096 1.379 79 HG1 THR 13 1HG THR 13 -4.681 -7.056 -0.719 80 HG21 THR 13 3HG2 THR 13 -5.890 -8.165 2.993 81 HG22 THR 13 1HG2 THR 13 -6.019 -9.373 1.714 82 HG23 THR 13 2HG2 THR 13 -7.002 -7.911 1.648 83 H CYS 14 H CYS 14 -2.643 -5.876 2.820 84 HA CYS 14 HA CYS 14 -1.101 -5.048 0.481 85 HB2 CYS 14 2HB CYS 14 -1.028 -3.765 3.226 86 HB3 CYS 14 1HB CYS 14 0.191 -3.497 1.988 87 H TYR 15 H TYR 15 0.562 -6.312 0.219 88 HA TYR 15 HA TYR 15 1.264 -8.257 2.242 89 HB2 TYR 15 2HB TYR 15 2.218 -7.852 -0.598 90 HB3 TYR 15 1HB TYR 15 2.816 -9.127 0.455 91 HD1 TYR 15 1HD TYR 15 -0.540 -7.794 -0.584 92 HD2 TYR 15 2HD TYR 15 1.929 -11.201 0.060 93 HE1 TYR 15 1HE TYR 15 -2.382 -9.259 -1.299 94 HE2 TYR 15 2HE TYR 15 0.094 -12.672 -0.654 95 HH TYR 15 HH TYR 15 -3.066 -11.349 -1.592 96 H THR 16 H THR 16 2.495 -5.278 0.970 97 HA THR 16 HA THR 16 5.185 -5.625 1.747 98 HB THR 16 HB THR 16 4.974 -2.981 1.813 99 HG1 THR 16 1HG THR 16 2.839 -3.873 0.106 100 HG21 THR 16 3HG2 THR 16 4.953 -4.584 -0.746 101 HG22 THR 16 1HG2 THR 16 6.357 -4.383 0.303 102 HG23 THR 16 2HG2 THR 16 5.650 -2.982 -0.503 103 H GLN 17 H GLN 17 6.312 -4.609 3.420 104 HA GLN 17 HA GLN 17 4.893 -4.718 5.938 105 HB2 GLN 17 2HB GLN 17 7.829 -4.368 5.329 106 HB3 GLN 17 1HB GLN 17 7.153 -4.536 6.944 107 HG2 GLN 17 2HG GLN 17 7.049 -6.583 4.740 108 HG3 GLN 17 1HG GLN 17 8.048 -6.647 6.192 109 HE21 GLN 17 1HE2 GLN 17 5.247 -7.729 4.823 110 HE22 GLN 17 2HE2 GLN 17 4.383 -8.154 6.256 111 H GLY 18 H GLY 18 4.528 -3.095 7.317 112 HA2 GLY 18 2HA GLY 18 4.296 -0.961 8.132 113 HA3 GLY 18 1HA GLY 18 5.740 -0.534 7.223 114 H CYS 19 H CYS 19 3.268 -1.940 5.402 115 HA CYS 19 HA CYS 19 2.656 0.644 4.175 116 HB2 CYS 19 2HB CYS 19 2.505 -2.210 3.221 117 HB3 CYS 19 1HB CYS 19 1.809 -0.888 2.297 118 H THR 20 H THR 20 0.657 1.470 4.144 119 HA THR 20 HA THR 20 -1.442 -0.033 5.557 120 HB THR 20 HB THR 20 -2.472 2.231 5.954 121 HG1 THR 20 1HG THR 20 0.076 3.150 5.042 122 HG21 THR 20 3HG2 THR 20 -0.088 1.110 7.174 123 HG22 THR 20 1HG2 THR 20 -1.513 1.822 7.931 124 HG23 THR 20 2HG2 THR 20 -0.188 2.857 7.396 125 H CYS 21 H CYS 21 -3.507 -0.150 4.675 126 HA CYS 21 HA CYS 21 -3.653 -0.157 1.869 127 HB2 CYS 21 2HB CYS 21 -5.074 -1.509 3.501 128 HB3 CYS 21 1HB CYS 21 -6.052 -0.055 3.690 129 H SER 22 H SER 22 -3.801 1.465 0.560 130 HA SER 22 HA SER 22 -5.401 3.815 1.279 131 HB2 SER 22 2HB SER 22 -2.660 3.929 -0.017 132 HB3 SER 22 1HB SER 22 -3.683 5.307 0.394 133 HG SER 22 HG SER 22 -3.110 3.563 2.471 134 H TRP 23 H TRP 23 -6.849 2.484 -0.063 135 HA TRP 23 HA TRP 23 -6.683 1.511 -2.514 136 HB2 TRP 23 2HB TRP 23 -8.786 1.783 -1.178 137 HB3 TRP 23 1HB TRP 23 -8.896 3.433 -1.782 138 HD1 TRP 23 HD TRP 23 -8.766 -0.169 -3.230 139 HE1 TRP 23 1HE TRP 23 -10.204 -0.221 -5.364 140 HE3 TRP 23 3HE TRP 23 -10.059 4.772 -3.453 141 HZ2 TRP 23 2HZ TRP 23 -11.690 1.597 -6.932 142 HZ3 TRP 23 3HZ TRP 23 -11.491 5.534 -5.302 143 HH2 TRP 23 HH TRP 23 -12.287 3.978 -7.007 144 HA PRO 24 HA PRO 24 -6.719 1.038 -4.112 145 HB2 PRO 24 2HB PRO 24 -5.881 0.810 -6.654 146 HB3 PRO 24 1HB PRO 24 -7.481 1.435 -6.246 147 HG2 PRO 24 2HG PRO 24 -5.142 2.859 -7.306 148 HG3 PRO 24 1HG PRO 24 -6.842 3.345 -7.306 149 HD2 PRO 24 2HD PRO 24 -4.719 4.119 -5.471 150 HD3 PRO 24 1HD PRO 24 -6.369 4.763 -5.602 151 H ILE 25 H ILE 25 -4.195 2.423 -3.036 152 HA ILE 25 HA ILE 25 -2.315 0.285 -3.836 153 HB ILE 25 HB ILE 25 -0.447 1.830 -3.805 154 HG12 ILE 25 2HG1 ILE 25 -2.554 3.879 -3.100 155 HG13 ILE 25 1HG1 ILE 25 -1.121 3.438 -2.172 156 HG21 ILE 25 1HG2 ILE 25 -1.126 1.695 -5.977 157 HG22 ILE 25 2HG2 ILE 25 -1.342 3.426 -5.712 158 HG23 ILE 25 3HG2 ILE 25 -2.732 2.342 -5.634 159 HD11 ILE 25 3HD1 ILE 25 -0.097 5.162 -3.099 160 HD12 ILE 25 1HD1 ILE 25 -1.444 5.441 -4.203 161 HD13 ILE 25 2HD1 ILE 25 -0.163 4.312 -4.643 162 H CYS 26 H CYS 26 -0.201 1.019 -2.233 163 HA CYS 26 HA CYS 26 -1.295 0.948 0.494 164 HB2 CYS 26 2HB CYS 26 1.049 -0.667 -0.544 165 HB3 CYS 26 1HB CYS 26 0.471 -0.648 1.118 166 H LYS 27 H LYS 27 -0.259 2.219 1.979 167 HA LYS 27 HA LYS 27 2.010 3.842 0.975 168 HB2 LYS 27 2HB LYS 27 -0.207 4.995 1.234 169 HB3 LYS 27 1HB LYS 27 -0.128 4.657 2.955 170 HG2 LYS 27 2HG LYS 27 2.018 5.941 3.010 171 HG3 LYS 27 1HG LYS 27 1.694 6.417 1.344 172 HD2 LYS 27 2HD LYS 27 -0.023 7.008 3.756 173 HD3 LYS 27 1HD LYS 27 0.967 8.160 2.862 174 HE2 LYS 27 2HE LYS 27 -0.978 8.615 1.820 175 HE3 LYS 27 1HE LYS 27 -0.560 7.196 0.863 176 HZ1 LYS 27 3HZ LYS 27 -2.010 5.850 2.115 177 HZ2 LYS 27 1HZ LYS 27 -2.880 7.270 1.810 178 HZ3 LYS 27 2HZ LYS 27 -2.189 7.016 3.329 179 H ARG 28 H ARG 28 3.847 3.537 2.034 180 HA ARG 28 HA ARG 28 3.778 2.580 4.811 181 HB2 ARG 28 2HB ARG 28 6.202 1.999 4.393 182 HB3 ARG 28 1HB ARG 28 5.028 1.056 3.492 183 HG2 ARG 28 2HG ARG 28 5.500 2.212 1.481 184 HG3 ARG 28 1HG ARG 28 6.425 3.449 2.333 185 HD2 ARG 28 2HD ARG 28 7.750 1.681 1.079 186 HD3 ARG 28 1HD ARG 28 8.207 1.983 2.755 187 HE ARG 28 HE ARG 28 6.401 -0.074 2.870 188 HH11 ARG 28 1HH1 ARG 28 9.412 0.448 1.175 189 HH12 ARG 28 2HH1 ARG 28 9.921 -1.201 1.298 190 HH21 ARG 28 1HH2 ARG 28 7.062 -2.236 3.069 191 HH22 ARG 28 2HH2 ARG 28 8.571 -2.744 2.378 192 H ASN 29 H ASN 29 4.466 3.851 6.381 193 HA ASN 29 HA ASN 29 5.147 5.729 7.486 194 HB2 ASN 29 2HB ASN 29 7.370 5.344 5.490 195 HB3 ASN 29 1HB ASN 29 7.425 6.616 6.703 196 HD21 ASN 29 1HD2 ASN 29 5.776 4.306 8.228 197 HD22 ASN 29 2HD2 ASN 29 7.066 3.430 8.962 Start of MODEL 12 1 H1 GLY 1 H GLY 1 2.535 5.476 4.992 2 HA2 GLY 1 2HA GLY 1 1.247 7.014 3.853 3 HA3 GLY 1 1HA GLY 1 2.238 8.295 4.530 4 H LEU 2 H LEU 2 4.112 5.890 3.030 5 HA LEU 2 HA LEU 2 4.335 7.563 0.612 6 HB2 LEU 2 2HB LEU 2 6.443 5.857 1.939 7 HB3 LEU 2 1HB LEU 2 6.662 6.759 0.453 8 HG LEU 2 HG LEU 2 6.091 7.980 3.156 9 HD11 LEU 2 1HD1 LEU 2 8.628 8.582 1.861 10 HD12 LEU 2 2HD1 LEU 2 8.451 6.879 2.286 11 HD13 LEU 2 3HD1 LEU 2 8.286 8.120 3.529 12 HD21 LEU 2 3HD2 LEU 2 5.744 9.018 0.560 13 HD22 LEU 2 1HD2 LEU 2 7.197 9.769 1.220 14 HD23 LEU 2 2HD2 LEU 2 5.671 9.884 2.094 15 HA PRO 3 HA PRO 3 2.932 3.849 -1.441 16 HB2 PRO 3 2HB PRO 3 2.810 4.879 -3.920 17 HB3 PRO 3 1HB PRO 3 1.635 5.307 -2.672 18 HG2 PRO 3 2HG PRO 3 4.027 6.831 -3.625 19 HG3 PRO 3 1HG PRO 3 2.400 7.425 -3.245 20 HD2 PRO 3 2HD PRO 3 4.527 7.618 -1.533 21 HD3 PRO 3 1HD PRO 3 2.836 7.542 -0.999 22 H VAL 4 H VAL 4 5.571 3.667 -0.776 23 HA VAL 4 HA VAL 4 7.004 3.197 -3.297 24 HB VAL 4 HB VAL 4 9.009 2.915 -1.824 25 HG11 VAL 4 1HG1 VAL 4 7.821 5.620 -1.357 26 HG12 VAL 4 2HG1 VAL 4 8.179 5.075 -2.997 27 HG13 VAL 4 3HG1 VAL 4 9.473 5.188 -1.803 28 HG21 VAL 4 3HG2 VAL 4 7.185 4.037 0.297 29 HG22 VAL 4 1HG2 VAL 4 8.920 3.759 0.456 30 HG23 VAL 4 2HG2 VAL 4 7.822 2.394 0.257 31 H CYS 5 H CYS 5 4.929 1.486 -2.018 32 HA CYS 5 HA CYS 5 6.387 -0.938 -1.344 33 HB2 CYS 5 2HB CYS 5 3.402 -0.737 -1.675 34 HB3 CYS 5 1HB CYS 5 4.329 -1.839 -0.650 35 H GLY 6 H GLY 6 4.495 0.467 -3.895 36 HA2 GLY 6 2HA GLY 6 4.496 -0.029 -6.151 37 HA3 GLY 6 1HA GLY 6 5.553 -1.391 -5.816 38 H GLU 7 H GLU 7 2.534 -1.049 -4.097 39 HA GLU 7 HA GLU 7 1.388 -3.157 -5.805 40 HB2 GLU 7 2HB GLU 7 0.852 -2.966 -2.850 41 HB3 GLU 7 1HB GLU 7 0.440 -4.270 -3.944 42 HG2 GLU 7 2HG GLU 7 2.769 -4.871 -4.172 43 HG3 GLU 7 1HG GLU 7 3.234 -3.524 -3.129 44 H THR 8 H THR 8 -0.751 -3.081 -6.193 45 HA THR 8 HA THR 8 -2.134 -0.606 -5.446 46 HB THR 8 HB THR 8 -3.762 -1.302 -7.255 47 HG1 THR 8 1HG THR 8 -2.753 -3.546 -7.229 48 HG21 THR 8 3HG2 THR 8 -1.928 0.401 -7.539 49 HG22 THR 8 1HG2 THR 8 -2.455 -0.378 -9.030 50 HG23 THR 8 2HG2 THR 8 -0.948 -0.875 -8.260 51 H CYS 9 H CYS 9 -4.179 -0.758 -4.451 52 HA CYS 9 HA CYS 9 -5.190 -3.429 -3.874 53 HB2 CYS 9 2HB CYS 9 -5.087 -3.215 -1.498 54 HB3 CYS 9 1HB CYS 9 -3.486 -2.853 -2.114 55 H THR 10 H THR 10 -7.283 -3.492 -3.915 56 HA THR 10 HA THR 10 -8.782 -0.986 -3.594 57 HB THR 10 HB THR 10 -8.924 -1.775 -5.901 58 HG1 THR 10 1HG THR 10 -11.149 -1.725 -4.223 59 HG21 THR 10 3HG2 THR 10 -10.533 -4.149 -5.403 60 HG22 THR 10 1HG2 THR 10 -8.873 -4.321 -4.833 61 HG23 THR 10 2HG2 THR 10 -9.188 -3.908 -6.519 62 H LEU 11 H LEU 11 -8.531 -4.390 -2.891 63 HA LEU 11 HA LEU 11 -10.942 -4.460 -1.302 64 HB2 LEU 11 2HB LEU 11 -10.198 -6.437 -2.563 65 HB3 LEU 11 1HB LEU 11 -8.727 -6.489 -1.612 66 HG LEU 11 HG LEU 11 -10.102 -6.903 0.420 67 HD11 LEU 11 1HD1 LEU 11 -12.411 -7.499 -1.382 68 HD12 LEU 11 2HD1 LEU 11 -12.179 -5.874 -0.735 69 HD13 LEU 11 3HD1 LEU 11 -12.389 -7.240 0.362 70 HD21 LEU 11 3HD2 LEU 11 -9.750 -9.064 0.048 71 HD22 LEU 11 1HD2 LEU 11 -9.392 -8.660 -1.631 72 HD23 LEU 11 2HD2 LEU 11 -11.029 -9.120 -1.165 73 H GLY 12 H GLY 12 -7.473 -4.802 -0.693 74 HA2 GLY 12 2HA GLY 12 -6.830 -3.226 1.269 75 HA3 GLY 12 1HA GLY 12 -7.922 -4.282 2.155 76 H THR 13 H THR 13 -5.502 -4.963 -0.336 77 HA THR 13 HA THR 13 -4.176 -6.772 1.568 78 HB THR 13 HB THR 13 -3.541 -8.093 -0.526 79 HG1 THR 13 1HG THR 13 -4.103 -6.705 -2.156 80 HG21 THR 13 3HG2 THR 13 -5.359 -9.487 -0.266 81 HG22 THR 13 1HG2 THR 13 -6.506 -8.150 -0.167 82 HG23 THR 13 2HG2 THR 13 -5.469 -8.526 1.209 83 H CYS 14 H CYS 14 -2.030 -6.561 1.799 84 HA CYS 14 HA CYS 14 -0.406 -5.271 -0.224 85 HB2 CYS 14 2HB CYS 14 -0.465 -4.272 2.639 86 HB3 CYS 14 1HB CYS 14 0.605 -3.703 1.366 87 H TYR 15 H TYR 15 1.369 -6.448 -0.433 88 HA TYR 15 HA TYR 15 1.966 -8.491 1.534 89 HB2 TYR 15 2HB TYR 15 3.112 -7.878 -1.189 90 HB3 TYR 15 1HB TYR 15 3.731 -9.161 -0.158 91 HD1 TYR 15 1HD TYR 15 0.303 -8.031 -1.193 92 HD2 TYR 15 2HD TYR 15 3.075 -11.242 -0.866 93 HE1 TYR 15 1HE TYR 15 -1.385 -9.572 -2.091 94 HE2 TYR 15 2HE TYR 15 1.393 -12.792 -1.766 95 HH TYR 15 HH TYR 15 -1.187 -11.949 -3.416 96 H THR 16 H THR 16 3.214 -5.392 0.598 97 HA THR 16 HA THR 16 5.833 -5.744 1.600 98 HB THR 16 HB THR 16 5.634 -3.133 1.753 99 HG1 THR 16 1HG THR 16 3.565 -3.866 -0.098 100 HG21 THR 16 3HG2 THR 16 7.134 -3.859 0.185 101 HG22 THR 16 1HG2 THR 16 5.875 -3.253 -0.891 102 HG23 THR 16 2HG2 THR 16 5.989 -4.981 -0.552 103 H GLN 17 H GLN 17 6.789 -4.785 3.429 104 HA GLN 17 HA GLN 17 5.167 -5.072 5.809 105 HB2 GLN 17 2HB GLN 17 7.377 -6.100 5.737 106 HB3 GLN 17 1HB GLN 17 8.118 -4.529 5.488 107 HG2 GLN 17 2HG GLN 17 8.372 -5.277 7.784 108 HG3 GLN 17 1HG GLN 17 7.391 -3.815 7.693 109 HE21 GLN 17 1HE2 GLN 17 5.813 -3.861 9.114 110 HE22 GLN 17 2HE2 GLN 17 4.878 -5.243 9.559 111 H GLY 18 H GLY 18 4.487 -3.528 7.110 112 HA2 GLY 18 2HA GLY 18 4.264 -1.440 8.102 113 HA3 GLY 18 1HA GLY 18 5.631 -0.879 7.150 114 H CYS 19 H CYS 19 3.960 -2.144 4.840 115 HA CYS 19 HA CYS 19 2.857 0.330 3.953 116 HB2 CYS 19 2HB CYS 19 3.015 -2.443 2.798 117 HB3 CYS 19 1HB CYS 19 2.193 -1.137 1.954 118 H THR 20 H THR 20 0.768 0.936 3.743 119 HA THR 20 HA THR 20 -1.256 -0.892 4.853 120 HB THR 20 HB THR 20 -2.449 1.228 5.599 121 HG1 THR 20 1HG THR 20 0.040 2.279 4.781 122 HG21 THR 20 3HG2 THR 20 -0.303 1.495 7.371 123 HG22 THR 20 1HG2 THR 20 -0.238 -0.175 6.810 124 HG23 THR 20 2HG2 THR 20 -1.710 0.448 7.553 125 H CYS 21 H CYS 21 -3.217 -0.967 3.802 126 HA CYS 21 HA CYS 21 -3.170 -0.202 1.066 127 HB2 CYS 21 2HB CYS 21 -4.320 -2.247 1.847 128 HB3 CYS 21 1HB CYS 21 -5.497 -1.246 2.694 129 H SER 22 H SER 22 -3.683 1.635 0.227 130 HA SER 22 HA SER 22 -5.717 3.332 1.472 131 HB2 SER 22 2HB SER 22 -3.037 4.301 0.432 132 HB3 SER 22 1HB SER 22 -4.344 5.327 1.021 133 HG SER 22 HG SER 22 -3.721 3.424 2.834 134 H TRP 23 H TRP 23 -7.022 2.437 -0.095 135 HA TRP 23 HA TRP 23 -6.953 1.878 -2.623 136 HB2 TRP 23 2HB TRP 23 -9.009 2.221 -1.152 137 HB3 TRP 23 1HB TRP 23 -9.035 3.873 -1.761 138 HD1 TRP 23 HD TRP 23 -9.049 0.282 -3.229 139 HE1 TRP 23 1HE TRP 23 -10.533 0.285 -5.329 140 HE3 TRP 23 3HE TRP 23 -10.224 5.255 -3.378 141 HZ2 TRP 23 2HZ TRP 23 -11.995 2.146 -6.850 142 HZ3 TRP 23 3HZ TRP 23 -11.671 6.067 -5.196 143 HH2 TRP 23 HH TRP 23 -12.538 4.544 -6.896 144 HA PRO 24 HA PRO 24 -6.697 1.536 -4.136 145 HB2 PRO 24 2HB PRO 24 -5.986 1.557 -6.705 146 HB3 PRO 24 1HB PRO 24 -7.553 2.196 -6.193 147 HG2 PRO 24 2HG PRO 24 -5.182 3.643 -7.172 148 HG3 PRO 24 1HG PRO 24 -6.868 4.176 -7.099 149 HD2 PRO 24 2HD PRO 24 -4.695 4.672 -5.203 150 HD3 PRO 24 1HD PRO 24 -6.304 5.425 -5.282 151 H ILE 25 H ILE 25 -4.176 2.851 -2.970 152 HA ILE 25 HA ILE 25 -2.275 0.892 -4.092 153 HB ILE 25 HB ILE 25 -0.459 2.449 -4.159 154 HG12 ILE 25 2HG1 ILE 25 -2.428 4.426 -2.996 155 HG13 ILE 25 1HG1 ILE 25 -0.934 3.839 -2.263 156 HG21 ILE 25 1HG2 ILE 25 -1.206 4.024 -5.902 157 HG22 ILE 25 2HG2 ILE 25 -2.879 3.611 -5.528 158 HG23 ILE 25 3HG2 ILE 25 -1.789 2.381 -6.170 159 HD11 ILE 25 3HD1 ILE 25 -0.938 6.187 -3.248 160 HD12 ILE 25 1HD1 ILE 25 -0.927 5.400 -4.825 161 HD13 ILE 25 2HD1 ILE 25 0.395 5.121 -3.692 162 H CYS 26 H CYS 26 -0.552 0.277 -2.734 163 HA CYS 26 HA CYS 26 -1.159 0.521 0.110 164 HB2 CYS 26 2HB CYS 26 0.882 -1.159 -1.368 165 HB3 CYS 26 1HB CYS 26 0.643 -1.185 0.375 166 H LYS 27 H LYS 27 0.006 1.763 1.489 167 HA LYS 27 HA LYS 27 2.569 2.859 0.545 168 HB2 LYS 27 2HB LYS 27 1.939 5.088 1.366 169 HB3 LYS 27 1HB LYS 27 0.894 4.549 0.062 170 HG2 LYS 27 2HG LYS 27 -0.821 3.936 1.702 171 HG3 LYS 27 1HG LYS 27 0.228 4.513 2.998 172 HD2 LYS 27 2HD LYS 27 -1.410 6.208 2.448 173 HD3 LYS 27 1HD LYS 27 0.200 6.759 1.984 174 HE2 LYS 27 2HE LYS 27 -0.226 6.247 -0.321 175 HE3 LYS 27 1HE LYS 27 -1.760 5.478 0.086 176 HZ1 LYS 27 3HZ LYS 27 -2.071 7.712 -0.791 177 HZ2 LYS 27 1HZ LYS 27 -1.130 8.355 0.460 178 HZ3 LYS 27 2HZ LYS 27 -2.607 7.609 0.810 179 H ARG 28 H ARG 28 4.134 2.935 2.031 180 HA ARG 28 HA ARG 28 3.388 2.229 4.783 181 HB2 ARG 28 2HB ARG 28 5.755 1.555 5.083 182 HB3 ARG 28 1HB ARG 28 4.920 0.621 3.861 183 HG2 ARG 28 2HG ARG 28 6.903 0.972 2.804 184 HG3 ARG 28 1HG ARG 28 6.016 2.390 2.241 185 HD2 ARG 28 2HD ARG 28 8.359 2.829 3.054 186 HD3 ARG 28 1HD ARG 28 7.099 3.802 3.811 187 HE ARG 28 HE ARG 28 7.656 2.879 5.813 188 HH11 ARG 28 1HH1 ARG 28 8.870 0.766 3.292 189 HH12 ARG 28 2HH1 ARG 28 9.617 -0.334 4.398 190 HH21 ARG 28 1HH2 ARG 28 8.638 1.438 7.268 191 HH22 ARG 28 2HH2 ARG 28 9.490 0.052 6.671 192 H ASN 29 H ASN 29 3.735 3.617 6.373 193 HA ASN 29 HA ASN 29 4.128 5.604 7.423 194 HB2 ASN 29 2HB ASN 29 6.572 5.628 5.629 195 HB3 ASN 29 1HB ASN 29 6.308 6.735 6.971 196 HD21 ASN 29 1HD2 ASN 29 7.165 6.187 8.834 197 HD22 ASN 29 2HD2 ASN 29 7.646 4.598 9.307 Start of MODEL 13 1 H1 GLY 1 H GLY 1 2.906 6.249 5.424 2 HA2 GLY 1 2HA GLY 1 1.899 8.102 4.490 3 HA3 GLY 1 1HA GLY 1 3.285 9.053 4.988 4 H LEU 2 H LEU 2 4.236 6.354 3.165 5 HA LEU 2 HA LEU 2 4.212 7.938 0.681 6 HB2 LEU 2 2HB LEU 2 6.477 6.248 1.752 7 HB3 LEU 2 1HB LEU 2 6.447 6.994 0.166 8 HG LEU 2 HG LEU 2 6.399 8.516 2.774 9 HD11 LEU 2 1HD1 LEU 2 8.705 8.441 0.873 10 HD12 LEU 2 2HD1 LEU 2 8.519 7.182 2.094 11 HD13 LEU 2 3HD1 LEU 2 8.674 8.868 2.585 12 HD21 LEU 2 3HD2 LEU 2 6.276 10.435 1.584 13 HD22 LEU 2 1HD2 LEU 2 5.468 9.391 0.415 14 HD23 LEU 2 2HD2 LEU 2 7.178 9.776 0.219 15 HA PRO 3 HA PRO 3 2.355 4.124 -0.750 16 HB2 PRO 3 2HB PRO 3 1.803 4.932 -3.255 17 HB3 PRO 3 1HB PRO 3 0.890 5.520 -1.861 18 HG2 PRO 3 2HG PRO 3 3.109 6.848 -3.367 19 HG3 PRO 3 1HG PRO 3 1.592 7.543 -2.768 20 HD2 PRO 3 2HD PRO 3 3.991 7.806 -1.483 21 HD3 PRO 3 1HD PRO 3 2.424 7.838 -0.653 22 H VAL 4 H VAL 4 5.145 4.044 -0.590 23 HA VAL 4 HA VAL 4 5.994 3.152 -3.253 24 HB VAL 4 HB VAL 4 8.295 3.131 -2.232 25 HG11 VAL 4 1HG1 VAL 4 6.689 5.638 -2.604 26 HG12 VAL 4 2HG1 VAL 4 7.831 4.881 -3.715 27 HG13 VAL 4 3HG1 VAL 4 8.420 5.695 -2.266 28 HG21 VAL 4 3HG2 VAL 4 8.675 4.460 -0.232 29 HG22 VAL 4 1HG2 VAL 4 7.594 3.112 0.127 30 HG23 VAL 4 2HG2 VAL 4 6.942 4.739 -0.068 31 H CYS 5 H CYS 5 4.326 1.382 -2.123 32 HA CYS 5 HA CYS 5 6.024 -0.703 -0.952 33 HB2 CYS 5 2HB CYS 5 3.010 -0.705 -1.212 34 HB3 CYS 5 1HB CYS 5 3.995 -1.855 -0.300 35 H GLY 6 H GLY 6 4.033 0.095 -3.709 36 HA2 GLY 6 2HA GLY 6 4.492 -0.769 -5.875 37 HA3 GLY 6 1HA GLY 6 5.174 -2.205 -5.123 38 H GLU 7 H GLU 7 2.846 -2.361 -3.269 39 HA GLU 7 HA GLU 7 1.135 -3.873 -5.060 40 HB2 GLU 7 2HB GLU 7 0.895 -3.576 -2.069 41 HB3 GLU 7 1HB GLU 7 0.117 -4.782 -3.079 42 HG2 GLU 7 2HG GLU 7 2.245 -5.801 -3.585 43 HG3 GLU 7 1HG GLU 7 3.088 -4.555 -2.665 44 H THR 8 H THR 8 -1.093 -3.636 -5.188 45 HA THR 8 HA THR 8 -2.033 -0.916 -4.684 46 HB THR 8 HB THR 8 -3.983 -1.619 -6.131 47 HG1 THR 8 1HG THR 8 -2.623 -3.570 -7.429 48 HG21 THR 8 3HG2 THR 8 -2.784 -1.283 -8.209 49 HG22 THR 8 1HG2 THR 8 -1.265 -1.745 -7.442 50 HG23 THR 8 2HG2 THR 8 -2.082 -0.261 -6.956 51 H CYS 9 H CYS 9 -3.860 -0.531 -3.464 52 HA CYS 9 HA CYS 9 -4.741 -2.834 -1.853 53 HB2 CYS 9 2HB CYS 9 -4.028 -0.088 -1.153 54 HB3 CYS 9 1HB CYS 9 -5.517 -0.646 -0.402 55 H THR 10 H THR 10 -5.955 -2.396 -4.317 56 HA THR 10 HA THR 10 -8.398 -0.938 -3.895 57 HB THR 10 HB THR 10 -7.502 -1.095 -6.161 58 HG1 THR 10 1HG THR 10 -10.020 -2.302 -5.655 59 HG21 THR 10 3HG2 THR 10 -6.589 -3.456 -5.827 60 HG22 THR 10 1HG2 THR 10 -7.309 -3.091 -7.396 61 HG23 THR 10 2HG2 THR 10 -8.219 -4.016 -6.202 62 H LEU 11 H LEU 11 -7.289 -4.238 -3.692 63 HA LEU 11 HA LEU 11 -9.913 -5.331 -3.203 64 HB2 LEU 11 2HB LEU 11 -7.174 -6.572 -2.927 65 HB3 LEU 11 1HB LEU 11 -8.693 -7.438 -2.799 66 HG LEU 11 HG LEU 11 -7.678 -6.046 -5.281 67 HD11 LEU 11 1HD1 LEU 11 -7.431 -8.329 -6.159 68 HD12 LEU 11 2HD1 LEU 11 -7.851 -8.971 -4.571 69 HD13 LEU 11 3HD1 LEU 11 -6.377 -8.025 -4.778 70 HD21 LEU 11 3HD2 LEU 11 -9.577 -6.822 -6.402 71 HD22 LEU 11 1HD2 LEU 11 -10.204 -6.192 -4.879 72 HD23 LEU 11 2HD2 LEU 11 -10.007 -7.931 -5.100 73 H GLY 12 H GLY 12 -7.504 -3.782 -1.381 74 HA2 GLY 12 2HA GLY 12 -7.640 -3.154 0.863 75 HA3 GLY 12 1HA GLY 12 -8.955 -4.302 1.079 76 H THR 13 H THR 13 -5.817 -4.959 -0.321 77 HA THR 13 HA THR 13 -5.021 -6.500 2.038 78 HB THR 13 HB THR 13 -4.150 -8.271 0.424 79 HG1 THR 13 1HG THR 13 -4.434 -6.998 -1.490 80 HG21 THR 13 3HG2 THR 13 -6.935 -7.809 1.257 81 HG22 THR 13 1HG2 THR 13 -5.895 -9.213 1.501 82 HG23 THR 13 2HG2 THR 13 -6.729 -8.990 -0.037 83 H CYS 14 H CYS 14 -2.779 -6.613 2.344 84 HA CYS 14 HA CYS 14 -0.958 -5.646 0.360 85 HB2 CYS 14 2HB CYS 14 -1.970 -3.585 1.603 86 HB3 CYS 14 1HB CYS 14 -0.959 -4.111 2.949 87 H TYR 15 H TYR 15 0.967 -6.573 0.650 88 HA TYR 15 HA TYR 15 1.359 -8.106 3.132 89 HB2 TYR 15 2HB TYR 15 2.394 -8.623 0.338 90 HB3 TYR 15 1HB TYR 15 2.859 -9.558 1.753 91 HD1 TYR 15 1HD TYR 15 -0.283 -8.438 0.034 92 HD2 TYR 15 2HD TYR 15 1.766 -11.551 2.089 93 HE1 TYR 15 1HE TYR 15 -2.205 -9.927 -0.318 94 HE2 TYR 15 2HE TYR 15 -0.153 -13.049 1.740 95 HH TYR 15 HH TYR 15 -2.321 -12.797 -0.384 96 H THR 16 H THR 16 2.534 -5.434 1.423 97 HA THR 16 HA THR 16 5.286 -5.757 2.028 98 HB THR 16 HB THR 16 5.192 -3.148 1.669 99 HG1 THR 16 1HG THR 16 2.855 -4.151 0.327 100 HG21 THR 16 3HG2 THR 16 4.938 -4.019 -0.927 101 HG22 THR 16 1HG2 THR 16 5.409 -5.485 -0.068 102 HG23 THR 16 2HG2 THR 16 6.423 -4.045 0.024 103 H GLN 17 H GLN 17 6.558 -4.509 3.426 104 HA GLN 17 HA GLN 17 5.626 -4.562 6.090 105 HB2 GLN 17 2HB GLN 17 8.133 -3.196 5.126 106 HB3 GLN 17 1HB GLN 17 7.818 -3.851 6.727 107 HG2 GLN 17 2HG GLN 17 9.019 -5.582 5.967 108 HG3 GLN 17 1HG GLN 17 7.488 -6.068 5.240 109 HE21 GLN 17 1HE2 GLN 17 10.589 -5.988 4.595 110 HE22 GLN 17 2HE2 GLN 17 10.580 -5.647 2.902 111 H GLY 18 H GLY 18 4.777 -3.112 7.373 112 HA2 GLY 18 2HA GLY 18 3.858 -1.171 8.160 113 HA3 GLY 18 1HA GLY 18 5.296 -0.399 7.519 114 H CYS 19 H CYS 19 3.046 -2.052 5.455 115 HA CYS 19 HA CYS 19 2.445 0.497 4.169 116 HB2 CYS 19 2HB CYS 19 2.186 -2.377 3.279 117 HB3 CYS 19 1HB CYS 19 1.617 -1.019 2.319 118 H THR 20 H THR 20 0.466 1.358 4.054 119 HA THR 20 HA THR 20 -1.694 -0.092 5.437 120 HB THR 20 HB THR 20 -2.687 2.181 5.857 121 HG1 THR 20 1HG THR 20 -0.109 3.023 4.950 122 HG21 THR 20 3HG2 THR 20 -1.783 1.494 7.815 123 HG22 THR 20 1HG2 THR 20 -0.622 2.780 7.486 124 HG23 THR 20 2HG2 THR 20 -0.226 1.109 7.084 125 H CYS 21 H CYS 21 -3.667 -0.252 4.467 126 HA CYS 21 HA CYS 21 -3.714 0.042 1.646 127 HB2 CYS 21 2HB CYS 21 -5.547 -1.025 3.701 128 HB3 CYS 21 1HB CYS 21 -6.308 -0.438 2.224 129 H SER 22 H SER 22 -3.990 1.819 0.598 130 HA SER 22 HA SER 22 -6.013 3.734 1.481 131 HB2 SER 22 2HB SER 22 -3.212 4.456 0.562 132 HB3 SER 22 1HB SER 22 -4.501 5.604 0.932 133 HG SER 22 HG SER 22 -4.210 3.898 2.979 134 H TRP 23 H TRP 23 -7.271 2.731 -0.054 135 HA TRP 23 HA TRP 23 -6.945 1.879 -2.517 136 HB2 TRP 23 2HB TRP 23 -9.136 2.171 -1.311 137 HB3 TRP 23 1HB TRP 23 -9.173 3.825 -1.918 138 HD1 TRP 23 HD TRP 23 -8.911 0.240 -3.395 139 HE1 TRP 23 1HE TRP 23 -10.190 0.203 -5.628 140 HE3 TRP 23 3HE TRP 23 -10.270 5.163 -3.627 141 HZ2 TRP 23 2HZ TRP 23 -11.590 2.023 -7.267 142 HZ3 TRP 23 3HZ TRP 23 -11.578 5.934 -5.563 143 HH2 TRP 23 HH TRP 23 -12.222 4.395 -7.346 144 HA PRO 24 HA PRO 24 -6.750 1.436 -4.033 145 HB2 PRO 24 2HB PRO 24 -5.887 1.276 -6.562 146 HB3 PRO 24 1HB PRO 24 -7.483 1.926 -6.173 147 HG2 PRO 24 2HG PRO 24 -5.096 3.329 -7.152 148 HG3 PRO 24 1HG PRO 24 -6.784 3.858 -7.157 149 HD2 PRO 24 2HD PRO 24 -4.662 4.473 -5.235 150 HD3 PRO 24 1HD PRO 24 -6.261 5.227 -5.417 151 H ILE 25 H ILE 25 -4.239 2.789 -2.840 152 HA ILE 25 HA ILE 25 -2.417 0.640 -3.655 153 HB ILE 25 HB ILE 25 -1.747 2.384 -5.102 154 HG12 ILE 25 2HG1 ILE 25 0.217 2.433 -2.806 155 HG13 ILE 25 1HG1 ILE 25 0.079 1.114 -3.966 156 HG21 ILE 25 1HG2 ILE 25 -1.969 4.546 -4.662 157 HG22 ILE 25 2HG2 ILE 25 -0.892 4.427 -3.271 158 HG23 ILE 25 3HG2 ILE 25 -2.615 4.099 -3.084 159 HD11 ILE 25 3HD1 ILE 25 1.328 3.750 -4.245 160 HD12 ILE 25 1HD1 ILE 25 0.385 3.217 -5.637 161 HD13 ILE 25 2HD1 ILE 25 1.708 2.219 -5.032 162 H CYS 26 H CYS 26 -0.583 0.350 -2.333 163 HA CYS 26 HA CYS 26 -1.176 0.571 0.481 164 HB2 CYS 26 2HB CYS 26 1.168 -0.578 -1.038 165 HB3 CYS 26 1HB CYS 26 1.017 -0.633 0.710 166 H LYS 27 H LYS 27 -0.234 1.941 1.927 167 HA LYS 27 HA LYS 27 1.918 3.693 0.933 168 HB2 LYS 27 2HB LYS 27 0.095 5.128 0.875 169 HB3 LYS 27 1HB LYS 27 -0.663 4.393 2.278 170 HG2 LYS 27 2HG LYS 27 0.850 5.481 3.759 171 HG3 LYS 27 1HG LYS 27 1.847 6.043 2.417 172 HD2 LYS 27 2HD LYS 27 0.278 7.745 3.466 173 HD3 LYS 27 1HD LYS 27 0.215 7.587 1.712 174 HE2 LYS 27 2HE LYS 27 -2.018 7.760 2.761 175 HE3 LYS 27 1HE LYS 27 -1.791 6.270 1.851 176 HZ1 LYS 27 3HZ LYS 27 -2.140 6.660 4.716 177 HZ2 LYS 27 1HZ LYS 27 -1.071 5.433 4.247 178 HZ3 LYS 27 2HZ LYS 27 -2.677 5.404 3.715 179 H ARG 28 H ARG 28 3.683 3.383 2.054 180 HA ARG 28 HA ARG 28 3.513 2.546 4.863 181 HB2 ARG 28 2HB ARG 28 5.920 1.905 4.565 182 HB3 ARG 28 1HB ARG 28 4.792 0.988 3.580 183 HG2 ARG 28 2HG ARG 28 5.393 2.231 1.621 184 HG3 ARG 28 1HG ARG 28 6.371 3.346 2.576 185 HD2 ARG 28 2HD ARG 28 7.697 1.639 1.349 186 HD3 ARG 28 1HD ARG 28 7.947 1.619 3.094 187 HE ARG 28 HE ARG 28 5.944 -0.208 2.585 188 HH11 ARG 28 1HH1 ARG 28 9.280 0.203 1.619 189 HH12 ARG 28 2HH1 ARG 28 9.596 -1.495 1.523 190 HH21 ARG 28 1HH2 ARG 28 6.346 -2.429 2.476 191 HH22 ARG 28 2HH2 ARG 28 7.919 -3.011 2.023 192 H ASN 29 H ASN 29 4.127 3.872 6.401 193 HA ASN 29 HA ASN 29 4.738 5.800 7.463 194 HB2 ASN 29 2HB ASN 29 6.969 4.608 6.638 195 HB3 ASN 29 1HB ASN 29 7.115 6.077 5.679 196 HD21 ASN 29 1HD2 ASN 29 8.145 4.728 8.391 197 HD22 ASN 29 2HD2 ASN 29 8.354 6.121 9.391 Start of MODEL 14 1 H1 GLY 1 H GLY 1 2.853 5.721 5.116 2 HA2 GLY 1 2HA GLY 1 1.725 7.447 4.061 3 HA3 GLY 1 1HA GLY 1 2.939 8.567 4.649 4 H LEU 2 H LEU 2 4.430 5.962 3.103 5 HA LEU 2 HA LEU 2 4.613 7.534 0.616 6 HB2 LEU 2 2HB LEU 2 6.660 6.008 2.162 7 HB3 LEU 2 1HB LEU 2 6.823 6.097 0.421 8 HG LEU 2 HG LEU 2 8.188 7.800 1.417 9 HD11 LEU 2 1HD1 LEU 2 6.827 9.888 0.553 10 HD12 LEU 2 2HD1 LEU 2 5.780 8.629 -0.102 11 HD13 LEU 2 3HD1 LEU 2 7.483 8.683 -0.554 12 HD21 LEU 2 3HD2 LEU 2 7.387 8.257 3.525 13 HD22 LEU 2 1HD2 LEU 2 5.721 8.432 2.973 14 HD23 LEU 2 2HD2 LEU 2 6.897 9.703 2.640 15 HA PRO 3 HA PRO 3 2.777 3.890 -1.204 16 HB2 PRO 3 2HB PRO 3 2.864 5.302 -3.725 17 HB3 PRO 3 1HB PRO 3 1.464 4.945 -2.713 18 HG2 PRO 3 2HG PRO 3 2.440 7.467 -3.118 19 HG3 PRO 3 1HG PRO 3 1.544 6.977 -1.668 20 HD2 PRO 3 2HD PRO 3 4.498 7.276 -2.062 21 HD3 PRO 3 1HD PRO 3 3.492 7.742 -0.671 22 H VAL 4 H VAL 4 5.476 3.645 -0.788 23 HA VAL 4 HA VAL 4 6.630 3.013 -3.415 24 HB VAL 4 HB VAL 4 8.764 2.731 -2.130 25 HG11 VAL 4 1HG1 VAL 4 9.086 5.203 -1.804 26 HG12 VAL 4 2HG1 VAL 4 7.367 5.398 -2.147 27 HG13 VAL 4 3HG1 VAL 4 8.443 4.735 -3.378 28 HG21 VAL 4 3HG2 VAL 4 6.962 3.182 0.083 29 HG22 VAL 4 1HG2 VAL 4 8.304 4.326 0.097 30 HG23 VAL 4 2HG2 VAL 4 8.623 2.592 0.089 31 H CYS 5 H CYS 5 4.631 1.399 -2.041 32 HA CYS 5 HA CYS 5 6.061 -0.999 -1.235 33 HB2 CYS 5 2HB CYS 5 3.073 -0.700 -1.538 34 HB3 CYS 5 1HB CYS 5 3.955 -1.869 -0.553 35 H GLY 6 H GLY 6 4.182 0.253 -3.895 36 HA2 GLY 6 2HA GLY 6 4.105 -0.438 -6.097 37 HA3 GLY 6 1HA GLY 6 5.224 -1.730 -5.686 38 H GLU 7 H GLU 7 2.231 -1.223 -3.989 39 HA GLU 7 HA GLU 7 1.026 -3.522 -5.359 40 HB2 GLU 7 2HB GLU 7 1.081 -3.056 -2.376 41 HB3 GLU 7 1HB GLU 7 0.149 -4.304 -3.181 42 HG2 GLU 7 2HG GLU 7 2.138 -5.414 -3.906 43 HG3 GLU 7 1HG GLU 7 3.144 -4.099 -3.297 44 H THR 8 H THR 8 -1.259 -3.605 -5.224 45 HA THR 8 HA THR 8 -2.473 -0.971 -4.802 46 HB THR 8 HB THR 8 -4.334 -1.859 -6.253 47 HG1 THR 8 1HG THR 8 -2.742 -3.657 -7.538 48 HG21 THR 8 3HG2 THR 8 -2.374 -0.369 -6.987 49 HG22 THR 8 1HG2 THR 8 -3.288 -1.197 -8.247 50 HG23 THR 8 2HG2 THR 8 -1.720 -1.823 -7.738 51 H CYS 9 H CYS 9 -4.365 -0.807 -3.585 52 HA CYS 9 HA CYS 9 -5.073 -3.263 -2.118 53 HB2 CYS 9 2HB CYS 9 -3.877 -1.445 -0.777 54 HB3 CYS 9 1HB CYS 9 -5.356 -0.506 -0.953 55 H THR 10 H THR 10 -6.331 -2.504 -4.517 56 HA THR 10 HA THR 10 -8.772 -1.143 -3.904 57 HB THR 10 HB THR 10 -7.880 -1.191 -6.207 58 HG1 THR 10 1HG THR 10 -10.466 -2.265 -5.721 59 HG21 THR 10 3HG2 THR 10 -8.588 -4.121 -6.082 60 HG22 THR 10 1HG2 THR 10 -6.996 -3.417 -6.367 61 HG23 THR 10 2HG2 THR 10 -8.266 -3.245 -7.578 62 H LEU 11 H LEU 11 -7.568 -4.350 -3.729 63 HA LEU 11 HA LEU 11 -10.136 -5.613 -3.391 64 HB2 LEU 11 2HB LEU 11 -8.939 -7.659 -3.101 65 HB3 LEU 11 1HB LEU 11 -8.210 -6.792 -4.436 66 HG LEU 11 HG LEU 11 -7.043 -6.738 -1.655 67 HD11 LEU 11 1HD1 LEU 11 -6.396 -8.626 -3.915 68 HD12 LEU 11 2HD1 LEU 11 -7.161 -9.056 -2.385 69 HD13 LEU 11 3HD1 LEU 11 -5.494 -8.478 -2.406 70 HD21 LEU 11 3HD2 LEU 11 -5.151 -5.817 -2.617 71 HD22 LEU 11 1HD2 LEU 11 -6.442 -5.050 -3.541 72 HD23 LEU 11 2HD2 LEU 11 -5.555 -6.410 -4.229 73 H GLY 12 H GLY 12 -7.863 -3.972 -1.413 74 HA2 GLY 12 2HA GLY 12 -8.277 -3.327 0.808 75 HA3 GLY 12 1HA GLY 12 -9.462 -4.618 0.939 76 H THR 13 H THR 13 -6.087 -4.727 -0.093 77 HA THR 13 HA THR 13 -5.215 -6.003 2.337 78 HB THR 13 HB THR 13 -4.792 -7.614 -0.160 79 HG1 THR 13 1HG THR 13 -7.136 -7.390 1.320 80 HG21 THR 13 3HG2 THR 13 -3.445 -8.026 1.893 81 HG22 THR 13 1HG2 THR 13 -4.393 -9.420 1.376 82 HG23 THR 13 2HG2 THR 13 -4.938 -8.439 2.736 83 H CYS 14 H CYS 14 -2.935 -6.193 2.422 84 HA CYS 14 HA CYS 14 -1.348 -5.120 0.244 85 HB2 CYS 14 2HB CYS 14 -1.250 -4.017 3.071 86 HB3 CYS 14 1HB CYS 14 -0.108 -3.624 1.794 87 H TYR 15 H TYR 15 0.453 -6.270 0.048 88 HA TYR 15 HA TYR 15 0.976 -8.341 2.034 89 HB2 TYR 15 2HB TYR 15 1.994 -7.975 -0.789 90 HB3 TYR 15 1HB TYR 15 2.477 -9.295 0.268 91 HD1 TYR 15 1HD TYR 15 -0.711 -7.717 -0.927 92 HD2 TYR 15 2HD TYR 15 1.412 -11.301 -0.062 93 HE1 TYR 15 1HE TYR 15 -2.641 -9.035 -1.686 94 HE2 TYR 15 2HE TYR 15 -0.513 -12.629 -0.821 95 HH TYR 15 HH TYR 15 -3.541 -11.085 -1.805 96 H THR 16 H THR 16 2.299 -5.373 0.887 97 HA THR 16 HA THR 16 4.986 -5.865 1.631 98 HB THR 16 HB THR 16 4.879 -3.210 1.740 99 HG1 THR 16 1HG THR 16 2.711 -4.003 0.024 100 HG21 THR 16 3HG2 THR 16 4.824 -4.862 -0.790 101 HG22 THR 16 1HG2 THR 16 6.241 -4.557 0.216 102 HG23 THR 16 2HG2 THR 16 5.464 -3.225 -0.639 103 H GLN 17 H GLN 17 6.160 -4.860 3.323 104 HA GLN 17 HA GLN 17 4.768 -5.059 5.852 105 HB2 GLN 17 2HB GLN 17 7.685 -4.605 5.241 106 HB3 GLN 17 1HB GLN 17 7.022 -4.860 6.846 107 HG2 GLN 17 2HG GLN 17 6.281 -7.085 6.210 108 HG3 GLN 17 1HG GLN 17 6.898 -6.835 4.578 109 HE21 GLN 17 1HE2 GLN 17 8.683 -7.950 4.285 110 HE22 GLN 17 2HE2 GLN 17 9.964 -8.145 5.427 111 H GLY 18 H GLY 18 4.248 -3.473 7.187 112 HA2 GLY 18 2HA GLY 18 4.114 -1.374 8.140 113 HA3 GLY 18 1HA GLY 18 5.487 -0.887 7.158 114 H CYS 19 H CYS 19 3.536 -2.118 4.965 115 HA CYS 19 HA CYS 19 2.634 0.441 4.062 116 HB2 CYS 19 2HB CYS 19 2.448 -2.350 2.949 117 HB3 CYS 19 1HB CYS 19 1.793 -0.955 2.106 118 H THR 20 H THR 20 0.664 1.277 4.116 119 HA THR 20 HA THR 20 -1.437 -0.271 5.461 120 HB THR 20 HB THR 20 -2.435 2.005 5.953 121 HG1 THR 20 1HG THR 20 0.128 2.828 5.002 122 HG21 THR 20 3HG2 THR 20 -1.479 1.122 7.839 123 HG22 THR 20 1HG2 THR 20 -0.456 2.544 7.627 124 HG23 THR 20 2HG2 THR 20 0.110 0.962 7.090 125 H CYS 21 H CYS 21 -3.547 -0.204 4.667 126 HA CYS 21 HA CYS 21 -3.740 -0.102 1.843 127 HB2 CYS 21 2HB CYS 21 -5.060 -1.641 3.301 128 HB3 CYS 21 1HB CYS 21 -6.002 -0.253 3.839 129 H SER 22 H SER 22 -3.933 1.615 0.661 130 HA SER 22 HA SER 22 -5.677 3.806 1.515 131 HB2 SER 22 2HB SER 22 -2.898 4.165 0.352 132 HB3 SER 22 1HB SER 22 -4.046 5.461 0.687 133 HG SER 22 HG SER 22 -3.690 3.906 2.867 134 H TRP 23 H TRP 23 -7.113 2.724 0.082 135 HA TRP 23 HA TRP 23 -6.884 1.814 -2.407 136 HB2 TRP 23 2HB TRP 23 -9.018 2.060 -1.116 137 HB3 TRP 23 1HB TRP 23 -9.089 3.737 -1.649 138 HD1 TRP 23 HD TRP 23 -8.920 0.212 -3.292 139 HE1 TRP 23 1HE TRP 23 -10.325 0.277 -5.448 140 HE3 TRP 23 3HE TRP 23 -10.261 5.146 -3.235 141 HZ2 TRP 23 2HZ TRP 23 -11.804 2.173 -6.927 142 HZ3 TRP 23 3HZ TRP 23 -11.670 6.006 -5.059 143 HH2 TRP 23 HH TRP 23 -12.423 4.549 -6.868 144 HA PRO 24 HA PRO 24 -6.986 1.430 -4.041 145 HB2 PRO 24 2HB PRO 24 -6.142 1.304 -6.597 146 HB3 PRO 24 1HB PRO 24 -7.724 1.950 -6.152 147 HG2 PRO 24 2HG PRO 24 -5.367 3.361 -7.168 148 HG3 PRO 24 1HG PRO 24 -7.047 3.908 -7.081 149 HD2 PRO 24 2HD PRO 24 -4.836 4.459 -5.258 150 HD3 PRO 24 1HD PRO 24 -6.442 5.213 -5.326 151 H ILE 25 H ILE 25 -4.370 2.660 -2.929 152 HA ILE 25 HA ILE 25 -2.648 0.442 -3.831 153 HB ILE 25 HB ILE 25 -0.678 1.830 -3.827 154 HG12 ILE 25 2HG1 ILE 25 -2.571 4.004 -2.928 155 HG13 ILE 25 1HG1 ILE 25 -1.112 3.427 -2.121 156 HG21 ILE 25 1HG2 ILE 25 -2.289 3.612 -5.480 157 HG22 ILE 25 2HG2 ILE 25 -2.636 1.903 -5.739 158 HG23 ILE 25 3HG2 ILE 25 -0.991 2.507 -5.930 159 HD11 ILE 25 3HD1 ILE 25 0.160 4.325 -4.123 160 HD12 ILE 25 1HD1 ILE 25 -0.556 5.509 -3.028 161 HD13 ILE 25 2HD1 ILE 25 -1.335 5.148 -4.569 162 H CYS 26 H CYS 26 -0.461 0.903 -2.307 163 HA CYS 26 HA CYS 26 -1.404 0.929 0.476 164 HB2 CYS 26 2HB CYS 26 0.636 -0.992 -0.690 165 HB3 CYS 26 1HB CYS 26 0.143 -0.910 0.997 166 H LYS 27 H LYS 27 -0.059 2.035 1.880 167 HA LYS 27 HA LYS 27 2.502 3.004 0.795 168 HB2 LYS 27 2HB LYS 27 2.042 5.256 1.635 169 HB3 LYS 27 1HB LYS 27 0.861 4.770 0.428 170 HG2 LYS 27 2HG LYS 27 -0.743 4.265 2.199 171 HG3 LYS 27 1HG LYS 27 0.443 4.754 3.409 172 HD2 LYS 27 2HD LYS 27 -1.131 6.554 3.004 173 HD3 LYS 27 1HD LYS 27 0.474 7.014 2.436 174 HE2 LYS 27 2HE LYS 27 -0.146 6.561 0.158 175 HE3 LYS 27 1HE LYS 27 -1.700 5.902 0.669 176 HZ1 LYS 27 3HZ LYS 27 -1.908 8.165 -0.158 177 HZ2 LYS 27 1HZ LYS 27 -0.829 8.718 1.022 178 HZ3 LYS 27 2HZ LYS 27 -2.327 8.080 1.478 179 H ARG 28 H ARG 28 4.147 2.997 2.170 180 HA ARG 28 HA ARG 28 3.564 2.279 4.955 181 HB2 ARG 28 2HB ARG 28 5.969 1.582 5.041 182 HB3 ARG 28 1HB ARG 28 4.981 0.648 3.933 183 HG2 ARG 28 2HG ARG 28 6.514 1.024 2.378 184 HG3 ARG 28 1HG ARG 28 6.036 2.724 2.396 185 HD2 ARG 28 2HD ARG 28 8.427 2.523 2.732 186 HD3 ARG 28 1HD ARG 28 7.654 3.146 4.190 187 HE ARG 28 HE ARG 28 7.999 0.289 4.183 188 HH11 ARG 28 1HH1 ARG 28 9.384 3.377 5.034 189 HH12 ARG 28 2HH1 ARG 28 10.577 2.705 6.097 190 HH21 ARG 28 1HH2 ARG 28 9.556 -0.621 5.604 191 HH22 ARG 28 2HH2 ARG 28 10.670 0.416 6.428 192 H ASN 29 H ASN 29 4.000 3.644 6.512 193 HA ASN 29 HA ASN 29 4.280 5.634 7.521 194 HB2 ASN 29 2HB ASN 29 6.505 6.586 7.590 195 HB3 ASN 29 1HB ASN 29 6.599 4.837 7.672 196 HD21 ASN 29 1HD2 ASN 29 7.357 7.669 5.851 197 HD22 ASN 29 2HD2 ASN 29 8.379 6.904 4.687 Start of MODEL 15 1 H1 GLY 1 H GLY 1 2.990 6.476 5.226 2 HA2 GLY 1 2HA GLY 1 2.339 8.427 4.145 3 HA3 GLY 1 1HA GLY 1 3.793 9.208 4.742 4 H LEU 2 H LEU 2 4.553 6.268 3.248 5 HA LEU 2 HA LEU 2 5.078 7.655 0.701 6 HB2 LEU 2 2HB LEU 2 6.836 5.791 2.274 7 HB3 LEU 2 1HB LEU 2 7.039 5.969 0.544 8 HG LEU 2 HG LEU 2 8.646 7.376 1.525 9 HD11 LEU 2 1HD1 LEU 2 8.092 9.536 0.718 10 HD12 LEU 2 2HD1 LEU 2 6.364 9.231 0.900 11 HD13 LEU 2 3HD1 LEU 2 7.290 8.363 -0.325 12 HD21 LEU 2 3HD2 LEU 2 7.857 9.218 3.145 13 HD22 LEU 2 1HD2 LEU 2 8.080 7.580 3.762 14 HD23 LEU 2 2HD2 LEU 2 6.458 8.176 3.402 15 HA PRO 3 HA PRO 3 2.601 4.175 -0.699 16 HB2 PRO 3 2HB PRO 3 2.408 5.537 -3.229 17 HB3 PRO 3 1HB PRO 3 1.164 5.342 -1.993 18 HG2 PRO 3 2HG PRO 3 2.313 7.744 -2.650 19 HG3 PRO 3 1HG PRO 3 1.587 7.389 -1.073 20 HD2 PRO 3 2HD PRO 3 4.471 7.376 -1.879 21 HD3 PRO 3 1HD PRO 3 3.720 7.969 -0.381 22 H VAL 4 H VAL 4 5.417 3.924 -0.735 23 HA VAL 4 HA VAL 4 5.999 3.025 -3.467 24 HB VAL 4 HB VAL 4 8.366 2.837 -2.616 25 HG11 VAL 4 1HG1 VAL 4 8.123 5.629 -2.339 26 HG12 VAL 4 2HG1 VAL 4 6.838 5.114 -3.431 27 HG13 VAL 4 3HG1 VAL 4 8.517 4.717 -3.796 28 HG21 VAL 4 3HG2 VAL 4 8.301 2.847 -0.311 29 HG22 VAL 4 1HG2 VAL 4 7.059 4.097 -0.248 30 HG23 VAL 4 2HG2 VAL 4 8.720 4.525 -0.653 31 H CYS 5 H CYS 5 4.306 1.402 -2.038 32 HA CYS 5 HA CYS 5 5.904 -0.796 -0.989 33 HB2 CYS 5 2HB CYS 5 2.902 -0.753 -1.330 34 HB3 CYS 5 1HB CYS 5 3.863 -1.806 -0.279 35 H GLY 6 H GLY 6 4.032 0.089 -3.778 36 HA2 GLY 6 2HA GLY 6 4.212 -0.746 -5.935 37 HA3 GLY 6 1HA GLY 6 5.259 -2.017 -5.322 38 H GLU 7 H GLU 7 2.192 -1.450 -3.828 39 HA GLU 7 HA GLU 7 1.020 -3.727 -5.260 40 HB2 GLU 7 2HB GLU 7 0.764 -3.297 -2.284 41 HB3 GLU 7 1HB GLU 7 0.149 -4.651 -3.215 42 HG2 GLU 7 2HG GLU 7 2.397 -5.408 -3.672 43 HG3 GLU 7 1HG GLU 7 3.062 -4.010 -2.826 44 H THR 8 H THR 8 -1.252 -3.714 -5.355 45 HA THR 8 HA THR 8 -2.404 -1.056 -4.963 46 HB THR 8 HB THR 8 -4.307 -1.968 -6.351 47 HG1 THR 8 1HG THR 8 -2.773 -3.863 -7.564 48 HG21 THR 8 3HG2 THR 8 -1.824 -0.915 -7.106 49 HG22 THR 8 1HG2 THR 8 -3.314 -0.915 -8.049 50 HG23 THR 8 2HG2 THR 8 -2.147 -2.221 -8.246 51 H CYS 9 H CYS 9 -4.211 -0.738 -3.726 52 HA CYS 9 HA CYS 9 -4.995 -3.046 -2.074 53 HB2 CYS 9 2HB CYS 9 -4.370 -0.262 -1.370 54 HB3 CYS 9 1HB CYS 9 -5.780 -0.938 -0.566 55 H THR 10 H THR 10 -6.270 -2.603 -4.513 56 HA THR 10 HA THR 10 -8.706 -1.164 -4.036 57 HB THR 10 HB THR 10 -7.855 -1.418 -6.333 58 HG1 THR 10 1HG THR 10 -10.404 -2.471 -5.679 59 HG21 THR 10 3HG2 THR 10 -8.244 -4.331 -5.761 60 HG22 THR 10 1HG2 THR 10 -6.887 -3.515 -6.537 61 HG23 THR 10 2HG2 THR 10 -8.405 -3.725 -7.409 62 H LEU 11 H LEU 11 -7.547 -4.432 -3.775 63 HA LEU 11 HA LEU 11 -10.120 -5.553 -3.092 64 HB2 LEU 11 2HB LEU 11 -8.189 -6.743 -4.304 65 HB3 LEU 11 1HB LEU 11 -7.412 -6.836 -2.739 66 HG LEU 11 HG LEU 11 -8.661 -8.903 -3.552 67 HD11 LEU 11 1HD1 LEU 11 -9.212 -7.685 -0.860 68 HD12 LEU 11 2HD1 LEU 11 -7.957 -8.844 -1.298 69 HD13 LEU 11 3HD1 LEU 11 -9.649 -9.341 -1.281 70 HD21 LEU 11 3HD2 LEU 11 -11.140 -8.767 -2.820 71 HD22 LEU 11 1HD2 LEU 11 -10.674 -8.156 -4.408 72 HD23 LEU 11 2HD2 LEU 11 -10.944 -7.033 -3.075 73 H GLY 12 H GLY 12 -7.181 -4.463 -1.517 74 HA2 GLY 12 2HA GLY 12 -7.333 -3.451 0.681 75 HA3 GLY 12 1HA GLY 12 -8.556 -4.649 1.078 76 H THR 13 H THR 13 -5.406 -5.024 -0.474 77 HA THR 13 HA THR 13 -4.441 -6.552 1.827 78 HB THR 13 HB THR 13 -3.457 -8.203 0.125 79 HG1 THR 13 1HG THR 13 -3.994 -6.948 -1.741 80 HG21 THR 13 3HG2 THR 13 -5.095 -9.641 0.686 81 HG22 THR 13 1HG2 THR 13 -6.359 -8.626 -0.009 82 HG23 THR 13 2HG2 THR 13 -5.746 -8.287 1.610 83 H CYS 14 H CYS 14 -2.236 -6.467 2.135 84 HA CYS 14 HA CYS 14 -0.480 -5.366 0.135 85 HB2 CYS 14 2HB CYS 14 -1.598 -3.422 1.497 86 HB3 CYS 14 1HB CYS 14 -0.512 -3.938 2.784 87 H TYR 15 H TYR 15 1.305 -6.532 0.256 88 HA TYR 15 HA TYR 15 1.767 -8.187 2.599 89 HB2 TYR 15 2HB TYR 15 3.045 -8.119 -0.133 90 HB3 TYR 15 1HB TYR 15 3.578 -9.195 1.151 91 HD1 TYR 15 1HD TYR 15 0.252 -8.220 -0.293 92 HD2 TYR 15 2HD TYR 15 2.887 -11.360 0.851 93 HE1 TYR 15 1HE TYR 15 -1.432 -9.875 -0.976 94 HE2 TYR 15 2HE TYR 15 1.208 -13.021 0.171 95 HH TYR 15 HH TYR 15 -1.558 -12.200 -1.652 96 H THR 16 H THR 16 3.013 -5.263 1.271 97 HA THR 16 HA THR 16 5.631 -5.460 2.293 98 HB THR 16 HB THR 16 5.281 -2.812 2.224 99 HG1 THR 16 1HG THR 16 3.464 -3.944 0.308 100 HG21 THR 16 3HG2 THR 16 5.697 -4.586 -0.187 101 HG22 THR 16 1HG2 THR 16 6.940 -4.166 0.992 102 HG23 THR 16 2HG2 THR 16 6.219 -2.911 -0.016 103 H GLN 17 H GLN 17 6.572 -4.234 4.004 104 HA GLN 17 HA GLN 17 5.003 -4.465 6.417 105 HB2 GLN 17 2HB GLN 17 7.897 -3.719 6.004 106 HB3 GLN 17 1HB GLN 17 7.137 -3.907 7.574 107 HG2 GLN 17 2HG GLN 17 8.337 -5.900 7.111 108 HG3 GLN 17 1HG GLN 17 6.620 -6.268 6.968 109 HE21 GLN 17 1HE2 GLN 17 6.153 -7.524 5.319 110 HE22 GLN 17 2HE2 GLN 17 6.988 -7.582 3.809 111 H GLY 18 H GLY 18 4.235 -2.908 7.669 112 HA2 GLY 18 2HA GLY 18 3.747 -0.815 8.498 113 HA3 GLY 18 1HA GLY 18 5.137 -0.197 7.619 114 H CYS 19 H CYS 19 3.526 -1.715 5.324 115 HA CYS 19 HA CYS 19 2.508 0.674 4.181 116 HB2 CYS 19 2HB CYS 19 2.586 -2.208 3.334 117 HB3 CYS 19 1HB CYS 19 1.756 -0.998 2.367 118 H THR 20 H THR 20 0.460 1.354 3.876 119 HA THR 20 HA THR 20 -1.675 -0.229 5.141 120 HB THR 20 HB THR 20 -2.744 1.973 5.746 121 HG1 THR 20 1HG THR 20 -0.146 2.931 5.036 122 HG21 THR 20 3HG2 THR 20 -1.908 1.035 7.645 123 HG22 THR 20 1HG2 THR 20 -0.838 2.433 7.563 124 HG23 THR 20 2HG2 THR 20 -0.285 0.864 6.979 125 H CYS 21 H CYS 21 -3.581 -0.329 4.068 126 HA CYS 21 HA CYS 21 -3.573 0.081 1.310 127 HB2 CYS 21 2HB CYS 21 -5.688 -0.608 3.303 128 HB3 CYS 21 1HB CYS 21 -6.157 -0.208 1.651 129 H SER 22 H SER 22 -3.797 1.767 0.149 130 HA SER 22 HA SER 22 -5.430 4.032 1.051 131 HB2 SER 22 2HB SER 22 -2.746 4.339 -0.329 132 HB3 SER 22 1HB SER 22 -3.737 5.610 0.387 133 HG SER 22 HG SER 22 -2.889 3.501 2.022 134 H TRP 23 H TRP 23 -6.864 2.781 -0.351 135 HA TRP 23 HA TRP 23 -6.725 1.910 -2.828 136 HB2 TRP 23 2HB TRP 23 -8.815 2.160 -1.452 137 HB3 TRP 23 1HB TRP 23 -8.939 3.811 -2.056 138 HD1 TRP 23 HD TRP 23 -8.781 0.211 -3.512 139 HE1 TRP 23 1HE TRP 23 -10.223 0.152 -5.644 140 HE3 TRP 23 3HE TRP 23 -10.122 5.140 -3.716 141 HZ2 TRP 23 2HZ TRP 23 -11.726 1.960 -7.205 142 HZ3 TRP 23 3HZ TRP 23 -11.562 5.895 -5.563 143 HH2 TRP 23 HH TRP 23 -12.345 4.336 -7.271 144 HA PRO 24 HA PRO 24 -6.789 1.477 -4.429 145 HB2 PRO 24 2HB PRO 24 -5.908 1.294 -6.964 146 HB3 PRO 24 1HB PRO 24 -7.518 1.900 -6.567 147 HG2 PRO 24 2HG PRO 24 -5.180 3.359 -7.574 148 HG3 PRO 24 1HG PRO 24 -6.884 3.832 -7.582 149 HD2 PRO 24 2HD PRO 24 -4.787 4.599 -5.720 150 HD3 PRO 24 1HD PRO 24 -6.445 5.221 -5.848 151 H ILE 25 H ILE 25 -4.168 3.060 -3.560 152 HA ILE 25 HA ILE 25 -2.298 0.909 -4.359 153 HB ILE 25 HB ILE 25 -0.466 2.452 -4.137 154 HG12 ILE 25 2HG1 ILE 25 -2.575 4.366 -3.129 155 HG13 ILE 25 1HG1 ILE 25 -1.106 3.837 -2.311 156 HG21 ILE 25 1HG2 ILE 25 -0.994 4.036 -5.941 157 HG22 ILE 25 2HG2 ILE 25 -2.706 3.654 -5.758 158 HG23 ILE 25 3HG2 ILE 25 -1.576 2.408 -6.289 159 HD11 ILE 25 3HD1 ILE 25 0.069 5.008 -4.335 160 HD12 ILE 25 1HD1 ILE 25 -0.517 5.943 -2.959 161 HD13 ILE 25 2HD1 ILE 25 -1.463 5.876 -4.447 162 H CYS 26 H CYS 26 -0.260 1.528 -2.614 163 HA CYS 26 HA CYS 26 -1.402 1.197 0.066 164 HB2 CYS 26 2HB CYS 26 -0.689 -1.005 -1.045 165 HB3 CYS 26 1HB CYS 26 0.962 -0.417 -0.888 166 H LYS 27 H LYS 27 -0.257 2.220 1.660 167 HA LYS 27 HA LYS 27 2.216 3.650 0.873 168 HB2 LYS 27 2HB LYS 27 0.471 5.219 0.570 169 HB3 LYS 27 1HB LYS 27 -0.343 4.721 2.043 170 HG2 LYS 27 2HG LYS 27 1.657 5.633 3.291 171 HG3 LYS 27 1HG LYS 27 2.148 6.365 1.762 172 HD2 LYS 27 2HD LYS 27 0.936 8.071 2.749 173 HD3 LYS 27 1HD LYS 27 -0.274 7.301 1.724 174 HE2 LYS 27 2HE LYS 27 0.102 6.761 4.671 175 HE3 LYS 27 1HE LYS 27 -1.108 7.844 3.994 176 HZ1 LYS 27 3HZ LYS 27 -1.627 5.585 2.652 177 HZ2 LYS 27 1HZ LYS 27 -2.385 6.021 4.099 178 HZ3 LYS 27 2HZ LYS 27 -1.082 4.948 4.123 179 H ARG 28 H ARG 28 3.817 3.493 2.335 180 HA ARG 28 HA ARG 28 3.074 2.815 5.108 181 HB2 ARG 28 2HB ARG 28 5.268 1.746 5.363 182 HB3 ARG 28 1HB ARG 28 4.290 0.969 4.135 183 HG2 ARG 28 2HG ARG 28 5.601 1.911 2.385 184 HG3 ARG 28 1HG ARG 28 6.455 2.963 3.519 185 HD2 ARG 28 2HD ARG 28 7.435 1.018 4.610 186 HD3 ARG 28 1HD ARG 28 6.546 -0.054 3.530 187 HE ARG 28 HE ARG 28 8.988 1.318 2.976 188 HH11 ARG 28 1HH1 ARG 28 6.107 -0.039 1.525 189 HH12 ARG 28 2HH1 ARG 28 6.818 -0.171 -0.055 190 HH21 ARG 28 1HH2 ARG 28 9.925 1.122 0.888 191 HH22 ARG 28 2HH2 ARG 28 8.974 0.491 -0.418 192 H ASN 29 H ASN 29 3.681 4.141 6.647 193 HA ASN 29 HA ASN 29 4.398 6.048 7.661 194 HB2 ASN 29 2HB ASN 29 6.906 5.282 6.159 195 HB3 ASN 29 1HB ASN 29 6.849 6.533 7.396 196 HD21 ASN 29 1HD2 ASN 29 7.799 3.521 6.936 197 HD22 ASN 29 2HD2 ASN 29 7.529 2.848 8.502 Start of MODEL 16 1 H1 GLY 1 H GLY 1 2.539 6.332 5.144 2 HA2 GLY 1 2HA GLY 1 1.754 8.174 4.000 3 HA3 GLY 1 1HA GLY 1 3.042 9.119 4.727 4 H LEU 2 H LEU 2 3.972 6.257 3.026 5 HA LEU 2 HA LEU 2 4.547 7.793 0.593 6 HB2 LEU 2 2HB LEU 2 6.536 6.131 2.144 7 HB3 LEU 2 1HB LEU 2 6.807 6.716 0.514 8 HG LEU 2 HG LEU 2 6.365 8.497 2.913 9 HD11 LEU 2 1HD1 LEU 2 8.840 7.414 1.629 10 HD12 LEU 2 2HD1 LEU 2 8.434 7.550 3.341 11 HD13 LEU 2 3HD1 LEU 2 8.855 8.992 2.417 12 HD21 LEU 2 3HD2 LEU 2 6.110 9.041 0.200 13 HD22 LEU 2 1HD2 LEU 2 7.718 9.628 0.620 14 HD23 LEU 2 2HD2 LEU 2 6.309 10.217 1.500 15 HA PRO 3 HA PRO 3 2.843 3.964 -1.001 16 HB2 PRO 3 2HB PRO 3 3.034 5.174 -3.626 17 HB3 PRO 3 1HB PRO 3 1.591 4.842 -2.668 18 HG2 PRO 3 2HG PRO 3 2.489 7.360 -3.206 19 HG3 PRO 3 1HG PRO 3 1.555 6.943 -1.757 20 HD2 PRO 3 2HD PRO 3 4.514 7.320 -2.064 21 HD3 PRO 3 1HD PRO 3 3.438 7.858 -0.755 22 H VAL 4 H VAL 4 5.458 3.682 -0.418 23 HA VAL 4 HA VAL 4 6.796 2.973 -2.927 24 HB VAL 4 HB VAL 4 8.831 2.679 -1.458 25 HG11 VAL 4 1HG1 VAL 4 8.946 4.578 -2.738 26 HG12 VAL 4 2HG1 VAL 4 8.959 5.290 -1.125 27 HG13 VAL 4 3HG1 VAL 4 7.465 5.254 -2.061 28 HG21 VAL 4 3HG2 VAL 4 7.939 2.487 0.717 29 HG22 VAL 4 1HG2 VAL 4 6.964 3.944 0.530 30 HG23 VAL 4 2HG2 VAL 4 8.717 4.069 0.668 31 H CYS 5 H CYS 5 4.900 1.271 -2.507 32 HA CYS 5 HA CYS 5 6.289 -1.151 -1.599 33 HB2 CYS 5 2HB CYS 5 3.320 -0.623 -1.297 34 HB3 CYS 5 1HB CYS 5 4.152 -2.122 -0.867 35 H GLY 6 H GLY 6 4.195 0.422 -3.893 36 HA2 GLY 6 2HA GLY 6 3.982 -0.042 -6.148 37 HA3 GLY 6 1HA GLY 6 4.923 -1.502 -5.906 38 H GLU 7 H GLU 7 2.746 -1.937 -3.637 39 HA GLU 7 HA GLU 7 1.095 -3.584 -5.351 40 HB2 GLU 7 2HB GLU 7 0.888 -3.308 -2.358 41 HB3 GLU 7 1HB GLU 7 0.294 -4.617 -3.364 42 HG2 GLU 7 2HG GLU 7 2.449 -5.440 -3.784 43 HG3 GLU 7 1HG GLU 7 3.213 -3.981 -3.156 44 H THR 8 H THR 8 -1.078 -3.496 -5.517 45 HA THR 8 HA THR 8 -2.322 -0.938 -4.852 46 HB THR 8 HB THR 8 -4.201 -1.806 -6.314 47 HG1 THR 8 1HG THR 8 -2.748 -3.504 -7.774 48 HG21 THR 8 3HG2 THR 8 -2.577 -1.671 -8.448 49 HG22 THR 8 1HG2 THR 8 -1.485 -1.044 -7.214 50 HG23 THR 8 2HG2 THR 8 -3.036 -0.257 -7.501 51 H CYS 9 H CYS 9 -4.238 -0.910 -3.576 52 HA CYS 9 HA CYS 9 -4.752 -3.495 -2.264 53 HB2 CYS 9 2HB CYS 9 -4.772 -2.539 -0.142 54 HB3 CYS 9 1HB CYS 9 -3.433 -1.739 -0.938 55 H THR 10 H THR 10 -6.223 -2.491 -4.473 56 HA THR 10 HA THR 10 -8.616 -1.229 -3.672 57 HB THR 10 HB THR 10 -7.938 -1.372 -6.032 58 HG1 THR 10 1HG THR 10 -10.465 -2.416 -5.269 59 HG21 THR 10 3HG2 THR 10 -8.477 -4.303 -5.644 60 HG22 THR 10 1HG2 THR 10 -7.044 -3.526 -6.319 61 HG23 THR 10 2HG2 THR 10 -8.551 -3.547 -7.236 62 H LEU 11 H LEU 11 -7.487 -4.490 -3.504 63 HA LEU 11 HA LEU 11 -10.064 -5.627 -2.900 64 HB2 LEU 11 2HB LEU 11 -8.445 -7.615 -2.239 65 HB3 LEU 11 1HB LEU 11 -8.848 -7.253 -3.905 66 HG LEU 11 HG LEU 11 -6.701 -5.937 -4.043 67 HD11 LEU 11 1HD1 LEU 11 -5.087 -6.016 -2.400 68 HD12 LEU 11 2HD1 LEU 11 -5.803 -7.422 -1.613 69 HD13 LEU 11 3HD1 LEU 11 -6.566 -5.839 -1.456 70 HD21 LEU 11 3HD2 LEU 11 -6.563 -7.959 -5.115 71 HD22 LEU 11 1HD2 LEU 11 -6.867 -8.884 -3.644 72 HD23 LEU 11 2HD2 LEU 11 -5.292 -8.135 -3.904 73 H GLY 12 H GLY 12 -8.035 -3.716 -1.173 74 HA2 GLY 12 2HA GLY 12 -8.126 -3.098 1.047 75 HA3 GLY 12 1HA GLY 12 -9.321 -4.355 1.304 76 H THR 13 H THR 13 -5.976 -4.578 0.154 77 HA THR 13 HA THR 13 -5.066 -5.740 2.634 78 HB THR 13 HB THR 13 -4.756 -7.496 0.213 79 HG1 THR 13 1HG THR 13 -7.039 -7.136 1.757 80 HG21 THR 13 3HG2 THR 13 -5.025 -8.814 2.760 81 HG22 THR 13 1HG2 THR 13 -3.782 -7.565 2.836 82 HG23 THR 13 2HG2 THR 13 -3.676 -8.841 1.624 83 H CYS 14 H CYS 14 -2.763 -6.079 2.635 84 HA CYS 14 HA CYS 14 -1.232 -5.089 0.378 85 HB2 CYS 14 2HB CYS 14 -1.086 -3.901 3.165 86 HB3 CYS 14 1HB CYS 14 0.132 -3.632 1.921 87 H TYR 15 H TYR 15 0.467 -6.343 0.099 88 HA TYR 15 HA TYR 15 1.026 -8.426 2.025 89 HB2 TYR 15 2HB TYR 15 2.124 -7.876 -0.736 90 HB3 TYR 15 1HB TYR 15 2.638 -9.230 0.262 91 HD1 TYR 15 2HD TYR 15 -0.635 -7.738 -0.821 92 HD2 TYR 15 1HD TYR 15 1.720 -11.246 -0.320 93 HE1 TYR 15 2HE TYR 15 -2.480 -9.096 -1.712 94 HE2 TYR 15 1HE TYR 15 -0.117 -12.613 -1.213 95 HH TYR 15 HH TYR 15 -3.238 -11.168 -2.067 96 H THR 16 H THR 16 2.506 -5.523 0.776 97 HA THR 16 HA THR 16 5.089 -5.927 1.804 98 HB THR 16 HB THR 16 5.104 -3.334 1.826 99 HG1 THR 16 1HG THR 16 2.792 -3.952 0.238 100 HG21 THR 16 3HG2 THR 16 6.359 -3.816 0.054 101 HG22 THR 16 1HG2 THR 16 4.902 -3.876 -0.936 102 HG23 THR 16 2HG2 THR 16 5.510 -5.345 -0.172 103 H GLN 17 H GLN 17 6.113 -5.034 3.575 104 HA GLN 17 HA GLN 17 4.504 -5.026 5.967 105 HB2 GLN 17 2HB GLN 17 6.658 -4.925 7.155 106 HB3 GLN 17 1HB GLN 17 6.606 -6.232 5.982 107 HG2 GLN 17 2HG GLN 17 7.863 -4.791 4.401 108 HG3 GLN 17 1HG GLN 17 8.008 -3.587 5.682 109 HE21 GLN 17 1HE2 GLN 17 9.803 -3.671 6.824 110 HE22 GLN 17 2HE2 GLN 17 10.812 -5.056 7.032 111 H GLY 18 H GLY 18 4.042 -3.352 7.266 112 HA2 GLY 18 2HA GLY 18 4.031 -1.200 8.111 113 HA3 GLY 18 1HA GLY 18 5.373 -0.811 7.050 114 H CYS 19 H CYS 19 3.468 -1.984 4.841 115 HA CYS 19 HA CYS 19 2.523 0.588 4.036 116 HB2 CYS 19 2HB CYS 19 3.106 -1.825 2.731 117 HB3 CYS 19 1HB CYS 19 1.392 -1.548 2.464 118 H THR 20 H THR 20 0.490 1.355 3.900 119 HA THR 20 HA THR 20 -1.598 -0.223 5.258 120 HB THR 20 HB THR 20 -2.616 1.952 5.944 121 HG1 THR 20 1HG THR 20 -0.215 2.952 4.795 122 HG21 THR 20 3HG2 THR 20 0.210 1.621 6.949 123 HG22 THR 20 1HG2 THR 20 -1.152 0.624 7.459 124 HG23 THR 20 2HG2 THR 20 -1.146 2.353 7.807 125 H CYS 21 H CYS 21 -3.611 -0.276 4.300 126 HA CYS 21 HA CYS 21 -3.662 0.119 1.513 127 HB2 CYS 21 2HB CYS 21 -5.024 -1.594 2.664 128 HB3 CYS 21 1HB CYS 21 -6.016 -0.314 3.357 129 H SER 22 H SER 22 -3.967 1.834 0.405 130 HA SER 22 HA SER 22 -5.704 3.980 1.366 131 HB2 SER 22 2HB SER 22 -2.954 4.395 0.147 132 HB3 SER 22 1HB SER 22 -4.078 5.665 0.637 133 HG SER 22 HG SER 22 -3.567 3.845 2.619 134 H TRP 23 H TRP 23 -7.044 2.706 -0.060 135 HA TRP 23 HA TRP 23 -6.929 1.855 -2.512 136 HB2 TRP 23 2HB TRP 23 -9.024 2.166 -1.150 137 HB3 TRP 23 1HB TRP 23 -9.127 3.795 -1.811 138 HD1 TRP 23 HD TRP 23 -8.936 0.158 -3.173 139 HE1 TRP 23 1HE TRP 23 -10.374 0.029 -5.304 140 HE3 TRP 23 3HE TRP 23 -10.347 5.062 -3.490 141 HZ2 TRP 23 2HZ TRP 23 -11.901 1.780 -6.906 142 HZ3 TRP 23 3HZ TRP 23 -11.795 5.754 -5.355 143 HH2 TRP 23 HH TRP 23 -12.554 4.146 -7.029 144 HA PRO 24 HA PRO 24 -6.917 1.369 -4.035 145 HB2 PRO 24 2HB PRO 24 -6.141 1.105 -6.591 146 HB3 PRO 24 1HB PRO 24 -7.729 1.747 -6.158 147 HG2 PRO 24 2HG PRO 24 -5.411 3.140 -7.300 148 HG3 PRO 24 1HG PRO 24 -7.106 3.647 -7.244 149 HD2 PRO 24 2HD PRO 24 -4.904 4.382 -5.469 150 HD3 PRO 24 1HD PRO 24 -6.532 5.087 -5.583 151 H ILE 25 H ILE 25 -4.287 2.868 -3.160 152 HA ILE 25 HA ILE 25 -2.507 0.644 -3.957 153 HB ILE 25 HB ILE 25 -0.632 2.064 -4.240 154 HG12 ILE 25 2HG1 ILE 25 -2.401 4.273 -3.173 155 HG13 ILE 25 1HG1 ILE 25 -0.933 3.628 -2.441 156 HG21 ILE 25 1HG2 ILE 25 -2.849 2.219 -5.889 157 HG22 ILE 25 2HG2 ILE 25 -1.200 2.695 -6.295 158 HG23 ILE 25 3HG2 ILE 25 -2.341 3.897 -5.693 159 HD11 ILE 25 3HD1 ILE 25 -0.740 5.872 -3.571 160 HD12 ILE 25 1HD1 ILE 25 -0.941 5.022 -5.103 161 HD13 ILE 25 2HD1 ILE 25 0.434 4.651 -4.063 162 H CYS 26 H CYS 26 -0.677 0.286 -2.542 163 HA CYS 26 HA CYS 26 -1.415 0.695 0.243 164 HB2 CYS 26 2HB CYS 26 0.771 -0.962 -1.037 165 HB3 CYS 26 1HB CYS 26 0.475 -0.877 0.696 166 H LYS 27 H LYS 27 -0.369 2.045 1.598 167 HA LYS 27 HA LYS 27 2.074 3.386 0.636 168 HB2 LYS 27 2HB LYS 27 0.495 5.021 0.182 169 HB3 LYS 27 1HB LYS 27 -0.527 4.557 1.532 170 HG2 LYS 27 2HG LYS 27 0.953 5.619 3.089 171 HG3 LYS 27 1HG LYS 27 2.123 5.951 1.812 172 HD2 LYS 27 2HD LYS 27 0.713 7.912 2.461 173 HD3 LYS 27 1HD LYS 27 0.641 7.494 0.750 174 HE2 LYS 27 2HE LYS 27 -1.568 8.048 1.709 175 HE3 LYS 27 1HE LYS 27 -1.489 6.414 1.054 176 HZ1 LYS 27 3HZ LYS 27 -2.090 7.255 3.696 177 HZ2 LYS 27 1HZ LYS 27 -0.781 6.182 3.703 178 HZ3 LYS 27 2HZ LYS 27 -2.249 5.720 2.996 179 H ARG 28 H ARG 28 3.685 3.263 2.061 180 HA ARG 28 HA ARG 28 3.036 2.619 4.857 181 HB2 ARG 28 2HB ARG 28 5.320 1.778 5.052 182 HB3 ARG 28 1HB ARG 28 4.478 0.992 3.731 183 HG2 ARG 28 2HG ARG 28 5.653 2.322 2.113 184 HG3 ARG 28 1HG ARG 28 6.384 3.295 3.390 185 HD2 ARG 28 2HD ARG 28 8.053 1.780 2.708 186 HD3 ARG 28 1HD ARG 28 7.432 1.148 4.232 187 HE ARG 28 HE ARG 28 5.979 -0.064 2.205 188 HH11 ARG 28 1HH1 ARG 28 9.309 0.062 3.268 189 HH12 ARG 28 2HH1 ARG 28 9.701 -1.511 2.663 190 HH21 ARG 28 1HH2 ARG 28 6.483 -2.137 1.401 191 HH22 ARG 28 2HH2 ARG 28 8.085 -2.768 1.592 192 H ASN 29 H ASN 29 3.529 3.954 6.443 193 HA ASN 29 HA ASN 29 4.005 5.926 7.494 194 HB2 ASN 29 2HB ASN 29 6.597 5.478 6.004 195 HB3 ASN 29 1HB ASN 29 6.391 6.640 7.311 196 HD21 ASN 29 1HD2 ASN 29 7.663 3.784 6.697 197 HD22 ASN 29 2HD2 ASN 29 7.443 2.990 8.213 Start of MODEL 17 1 H1 GLY 1 H GLY 1 2.879 6.138 5.143 2 HA2 GLY 1 2HA GLY 1 1.871 7.977 4.179 3 HA3 GLY 1 1HA GLY 1 3.183 8.967 4.799 4 H LEU 2 H LEU 2 4.161 6.245 2.958 5 HA LEU 2 HA LEU 2 4.344 7.845 0.504 6 HB2 LEU 2 2HB LEU 2 6.604 6.316 1.801 7 HB3 LEU 2 1HB LEU 2 6.659 6.961 0.173 8 HG LEU 2 HG LEU 2 6.336 8.639 2.663 9 HD11 LEU 2 1HD1 LEU 2 8.708 9.356 1.918 10 HD12 LEU 2 2HD1 LEU 2 8.734 7.799 1.088 11 HD13 LEU 2 3HD1 LEU 2 8.508 7.863 2.836 12 HD21 LEU 2 3HD2 LEU 2 5.632 9.278 0.111 13 HD22 LEU 2 1HD2 LEU 2 7.303 9.839 0.171 14 HD23 LEU 2 2HD2 LEU 2 6.129 10.441 1.340 15 HA PRO 3 HA PRO 3 2.805 3.954 -1.070 16 HB2 PRO 3 2HB PRO 3 2.930 5.156 -3.708 17 HB3 PRO 3 1HB PRO 3 1.509 4.765 -2.740 18 HG2 PRO 3 2HG PRO 3 2.286 7.316 -3.286 19 HG3 PRO 3 1HG PRO 3 1.399 6.861 -1.820 20 HD2 PRO 3 2HD PRO 3 4.331 7.365 -2.184 21 HD3 PRO 3 1HD PRO 3 3.258 7.862 -0.855 22 H VAL 4 H VAL 4 5.453 3.793 -0.527 23 HA VAL 4 HA VAL 4 6.768 3.085 -3.050 24 HB VAL 4 HB VAL 4 8.839 2.912 -1.618 25 HG11 VAL 4 1HG1 VAL 4 9.335 4.997 -2.284 26 HG12 VAL 4 2HG1 VAL 4 8.032 5.708 -1.331 27 HG13 VAL 4 3HG1 VAL 4 7.692 5.028 -2.923 28 HG21 VAL 4 3HG2 VAL 4 8.632 3.052 0.591 29 HG22 VAL 4 1HG2 VAL 4 6.916 3.433 0.439 30 HG23 VAL 4 2HG2 VAL 4 8.113 4.728 0.405 31 H CYS 5 H CYS 5 4.853 1.337 -2.263 32 HA CYS 5 HA CYS 5 6.389 -0.991 -1.323 33 HB2 CYS 5 2HB CYS 5 3.377 -0.657 -1.282 34 HB3 CYS 5 1HB CYS 5 4.289 -2.029 -0.641 35 H GLY 6 H GLY 6 4.376 0.376 -3.780 36 HA2 GLY 6 2HA GLY 6 4.212 -0.166 -6.009 37 HA3 GLY 6 1HA GLY 6 5.304 -1.510 -5.720 38 H GLU 7 H GLU 7 2.302 -1.051 -3.955 39 HA GLU 7 HA GLU 7 1.112 -3.257 -5.498 40 HB2 GLU 7 2HB GLU 7 0.772 -2.971 -2.519 41 HB3 GLU 7 1HB GLU 7 0.285 -4.313 -3.539 42 HG2 GLU 7 2HG GLU 7 2.595 -4.925 -3.895 43 HG3 GLU 7 1HG GLU 7 3.125 -3.538 -2.936 44 H THR 8 H THR 8 -1.112 -3.275 -5.631 45 HA THR 8 HA THR 8 -2.423 -0.731 -4.994 46 HB THR 8 HB THR 8 -4.284 -1.598 -6.408 47 HG1 THR 8 1HG THR 8 -3.123 -3.887 -6.120 48 HG21 THR 8 3HG2 THR 8 -1.810 -1.746 -8.085 49 HG22 THR 8 1HG2 THR 8 -2.189 -0.251 -7.230 50 HG23 THR 8 2HG2 THR 8 -3.331 -0.911 -8.401 51 H CYS 9 H CYS 9 -4.260 -0.741 -3.620 52 HA CYS 9 HA CYS 9 -4.707 -3.349 -2.324 53 HB2 CYS 9 2HB CYS 9 -4.795 -2.371 -0.179 54 HB3 CYS 9 1HB CYS 9 -3.380 -1.684 -0.959 55 H THR 10 H THR 10 -6.275 -2.376 -4.473 56 HA THR 10 HA THR 10 -8.657 -1.156 -3.560 57 HB THR 10 HB THR 10 -8.064 -1.238 -5.948 58 HG1 THR 10 1HG THR 10 -10.542 -2.316 -5.090 59 HG21 THR 10 3HG2 THR 10 -8.675 -3.389 -7.181 60 HG22 THR 10 1HG2 THR 10 -8.561 -4.186 -5.612 61 HG23 THR 10 2HG2 THR 10 -7.148 -3.382 -6.298 62 H LEU 11 H LEU 11 -7.460 -4.396 -3.494 63 HA LEU 11 HA LEU 11 -9.987 -5.620 -2.831 64 HB2 LEU 11 2HB LEU 11 -8.209 -6.825 -4.073 65 HB3 LEU 11 1HB LEU 11 -7.179 -6.727 -2.658 66 HG LEU 11 HG LEU 11 -8.833 -8.097 -1.405 67 HD11 LEU 11 1HD1 LEU 11 -10.125 -8.793 -4.004 68 HD12 LEU 11 2HD1 LEU 11 -10.696 -7.402 -3.083 69 HD13 LEU 11 3HD1 LEU 11 -10.721 -9.010 -2.358 70 HD21 LEU 11 3HD2 LEU 11 -7.410 -9.698 -1.986 71 HD22 LEU 11 1HD2 LEU 11 -7.096 -8.926 -3.541 72 HD23 LEU 11 2HD2 LEU 11 -8.446 -10.048 -3.369 73 H GLY 12 H GLY 12 -7.498 -3.970 -1.190 74 HA2 GLY 12 2HA GLY 12 -7.599 -3.239 1.034 75 HA3 GLY 12 1HA GLY 12 -8.785 -4.489 1.365 76 H THR 13 H THR 13 -5.529 -4.680 -0.024 77 HA THR 13 HA THR 13 -4.488 -5.985 2.340 78 HB THR 13 HB THR 13 -4.242 -7.538 -0.215 79 HG1 THR 13 1HG THR 13 -6.482 -7.346 1.447 80 HG21 THR 13 3HG2 THR 13 -3.077 -8.927 1.075 81 HG22 THR 13 1HG2 THR 13 -4.454 -9.104 2.164 82 HG23 THR 13 2HG2 THR 13 -3.281 -7.812 2.427 83 H CYS 14 H CYS 14 -2.202 -6.245 2.261 84 HA CYS 14 HA CYS 14 -0.691 -5.205 0.027 85 HB2 CYS 14 2HB CYS 14 -0.526 -3.934 2.781 86 HB3 CYS 14 1HB CYS 14 0.552 -3.581 1.436 87 H TYR 15 H TYR 15 1.059 -6.452 -0.175 88 HA TYR 15 HA TYR 15 1.615 -8.459 1.807 89 HB2 TYR 15 2HB TYR 15 2.896 -7.811 -0.848 90 HB3 TYR 15 1HB TYR 15 3.453 -9.118 0.190 91 HD1 TYR 15 1HD TYR 15 0.062 -7.955 -0.919 92 HD2 TYR 15 2HD TYR 15 2.844 -11.164 -0.660 93 HE1 TYR 15 1HE TYR 15 -1.593 -9.463 -1.930 94 HE2 TYR 15 2HE TYR 15 1.195 -12.681 -1.671 95 HH TYR 15 HH TYR 15 -1.895 -11.491 -2.879 96 H THR 16 H THR 16 3.133 -5.495 0.708 97 HA THR 16 HA THR 16 5.610 -5.819 1.957 98 HB THR 16 HB THR 16 5.604 -3.266 2.043 99 HG1 THR 16 1HG THR 16 3.365 -3.723 0.314 100 HG21 THR 16 3HG2 THR 16 6.516 -4.957 0.247 101 HG22 THR 16 1HG2 THR 16 6.466 -3.228 -0.095 102 HG23 THR 16 2HG2 THR 16 5.213 -4.290 -0.737 103 H GLN 17 H GLN 17 6.459 -4.996 3.841 104 HA GLN 17 HA GLN 17 4.642 -5.073 6.091 105 HB2 GLN 17 2HB GLN 17 7.641 -4.697 6.082 106 HB3 GLN 17 1HB GLN 17 6.643 -5.090 7.473 107 HG2 GLN 17 2HG GLN 17 6.929 -6.863 5.062 108 HG3 GLN 17 1HG GLN 17 7.926 -6.999 6.505 109 HE21 GLN 17 1HE2 GLN 17 5.084 -6.067 7.723 110 HE22 GLN 17 2HE2 GLN 17 4.335 -7.598 7.983 111 H GLY 18 H GLY 18 4.021 -3.382 7.320 112 HA2 GLY 18 2HA GLY 18 4.030 -1.246 8.226 113 HA3 GLY 18 1HA GLY 18 5.442 -0.867 7.255 114 H CYS 19 H CYS 19 3.407 -2.118 5.073 115 HA CYS 19 HA CYS 19 2.656 0.492 4.114 116 HB2 CYS 19 2HB CYS 19 3.316 -1.822 2.840 117 HB3 CYS 19 1HB CYS 19 1.564 -1.867 2.722 118 H THR 20 H THR 20 0.586 1.273 3.832 119 HA THR 20 HA THR 20 -1.548 -0.212 5.222 120 HB THR 20 HB THR 20 -2.487 1.992 5.936 121 HG1 THR 20 1HG THR 20 -0.051 2.908 4.802 122 HG21 THR 20 3HG2 THR 20 -1.517 1.313 7.832 123 HG22 THR 20 1HG2 THR 20 -0.188 2.400 7.427 124 HG23 THR 20 2HG2 THR 20 -0.104 0.696 6.975 125 H CYS 21 H CYS 21 -3.584 -0.107 4.272 126 HA CYS 21 HA CYS 21 -3.558 0.332 1.481 127 HB2 CYS 21 2HB CYS 21 -4.979 -1.378 2.553 128 HB3 CYS 21 1HB CYS 21 -5.954 -0.096 3.268 129 H SER 22 H SER 22 -3.912 2.023 0.361 130 HA SER 22 HA SER 22 -5.560 4.222 1.360 131 HB2 SER 22 2HB SER 22 -2.803 4.485 0.113 132 HB3 SER 22 1HB SER 22 -3.919 5.831 0.337 133 HG SER 22 HG SER 22 -3.395 4.277 2.580 134 H TRP 23 H TRP 23 -6.934 2.845 0.015 135 HA TRP 23 HA TRP 23 -6.919 1.969 -2.423 136 HB2 TRP 23 2HB TRP 23 -8.959 2.241 -0.989 137 HB3 TRP 23 1HB TRP 23 -9.117 3.876 -1.626 138 HD1 TRP 23 HD TRP 23 -8.951 0.252 -3.028 139 HE1 TRP 23 1HE TRP 23 -10.476 0.130 -5.098 140 HE3 TRP 23 3HE TRP 23 -10.410 5.148 -3.246 141 HZ2 TRP 23 2HZ TRP 23 -12.083 1.880 -6.619 142 HZ3 TRP 23 3HZ TRP 23 -11.941 5.842 -5.043 143 HH2 TRP 23 HH TRP 23 -12.758 4.241 -6.695 144 HA PRO 24 HA PRO 24 -6.935 1.453 -3.929 145 HB2 PRO 24 2HB PRO 24 -6.248 1.174 -6.516 146 HB3 PRO 24 1HB PRO 24 -7.845 1.745 -6.023 147 HG2 PRO 24 2HG PRO 24 -5.673 3.224 -7.311 148 HG3 PRO 24 1HG PRO 24 -7.375 3.670 -7.135 149 HD2 PRO 24 2HD PRO 24 -5.072 4.474 -5.511 150 HD3 PRO 24 1HD PRO 24 -6.710 5.160 -5.551 151 H ILE 25 H ILE 25 -4.355 3.009 -3.131 152 HA ILE 25 HA ILE 25 -2.492 0.904 -4.058 153 HB ILE 25 HB ILE 25 -0.703 2.422 -4.307 154 HG12 ILE 25 2HG1 ILE 25 -2.517 4.463 -3.010 155 HG13 ILE 25 1HG1 ILE 25 -0.983 3.844 -2.397 156 HG21 ILE 25 1HG2 ILE 25 -2.422 4.313 -5.598 157 HG22 ILE 25 2HG2 ILE 25 -3.053 2.682 -5.820 158 HG23 ILE 25 3HG2 ILE 25 -1.402 3.063 -6.310 159 HD11 ILE 25 3HD1 ILE 25 -1.061 6.194 -3.436 160 HD12 ILE 25 1HD1 ILE 25 -1.104 5.348 -4.983 161 HD13 ILE 25 2HD1 ILE 25 0.257 5.112 -3.886 162 H CYS 26 H CYS 26 -0.693 0.457 -2.702 163 HA CYS 26 HA CYS 26 -1.334 0.671 0.122 164 HB2 CYS 26 2HB CYS 26 0.871 -0.783 -1.358 165 HB3 CYS 26 1HB CYS 26 0.657 -0.831 0.388 166 H LYS 27 H LYS 27 -0.210 1.891 1.583 167 HA LYS 27 HA LYS 27 2.053 3.512 0.602 168 HB2 LYS 27 2HB LYS 27 0.003 4.815 0.438 169 HB3 LYS 27 1HB LYS 27 -0.400 4.436 2.104 170 HG2 LYS 27 2HG LYS 27 1.766 5.636 2.714 171 HG3 LYS 27 1HG LYS 27 1.732 6.258 1.060 172 HD2 LYS 27 2HD LYS 27 -0.426 6.585 3.145 173 HD3 LYS 27 1HD LYS 27 0.674 7.839 2.570 174 HE2 LYS 27 2HE LYS 27 -0.430 8.092 0.592 175 HE3 LYS 27 1HE LYS 27 -0.949 6.407 0.543 176 HZ1 LYS 27 3HZ LYS 27 -2.062 8.294 2.523 177 HZ2 LYS 27 1HZ LYS 27 -2.706 6.821 1.981 178 HZ3 LYS 27 2HZ LYS 27 -2.708 8.178 0.965 179 H ARG 28 H ARG 28 3.763 3.273 1.921 180 HA ARG 28 HA ARG 28 3.266 2.571 4.740 181 HB2 ARG 28 2HB ARG 28 5.618 1.742 4.761 182 HB3 ARG 28 1HB ARG 28 4.562 0.853 3.676 183 HG2 ARG 28 2HG ARG 28 5.708 1.467 1.844 184 HG3 ARG 28 1HG ARG 28 6.011 3.095 2.450 185 HD2 ARG 28 2HD ARG 28 8.057 1.695 2.179 186 HD3 ARG 28 1HD ARG 28 7.821 2.335 3.803 187 HE ARG 28 HE ARG 28 6.673 -0.176 3.793 188 HH11 ARG 28 1HH1 ARG 28 9.849 1.158 3.206 189 HH12 ARG 28 2HH1 ARG 28 10.691 -0.212 3.846 190 HH21 ARG 28 1HH2 ARG 28 7.764 -1.985 4.660 191 HH22 ARG 28 2HH2 ARG 28 9.501 -2.011 4.672 192 H ASN 29 H ASN 29 3.967 3.870 6.305 193 HA ASN 29 HA ASN 29 4.678 5.770 7.342 194 HB2 ASN 29 2HB ASN 29 6.974 5.435 5.397 195 HB3 ASN 29 1HB ASN 29 6.990 6.512 6.787 196 HD21 ASN 29 1HD2 ASN 29 7.952 5.730 8.509 197 HD22 ASN 29 2HD2 ASN 29 8.109 4.060 8.921 Start of MODEL 18 1 H1 GLY 1 H GLY 1 3.201 5.973 5.086 2 HA2 GLY 1 2HA GLY 1 2.018 7.717 4.151 3 HA3 GLY 1 1HA GLY 1 3.244 8.818 4.758 4 H LEU 2 H LEU 2 4.392 6.187 2.871 5 HA LEU 2 HA LEU 2 4.536 7.904 0.485 6 HB2 LEU 2 2HB LEU 2 6.729 6.155 1.612 7 HB3 LEU 2 1HB LEU 2 6.802 6.982 0.069 8 HG LEU 2 HG LEU 2 6.590 8.360 2.748 9 HD11 LEU 2 1HD1 LEU 2 8.744 7.690 2.873 10 HD12 LEU 2 2HD1 LEU 2 8.994 9.067 1.799 11 HD13 LEU 2 3HD1 LEU 2 8.883 7.437 1.133 12 HD21 LEU 2 3HD2 LEU 2 6.937 10.393 1.569 13 HD22 LEU 2 1HD2 LEU 2 5.630 9.544 0.745 14 HD23 LEU 2 2HD2 LEU 2 7.254 9.540 0.058 15 HA PRO 3 HA PRO 3 2.733 4.208 -1.279 16 HB2 PRO 3 2HB PRO 3 2.869 5.610 -3.827 17 HB3 PRO 3 1HB PRO 3 1.449 5.167 -2.877 18 HG2 PRO 3 2HG PRO 3 2.254 7.736 -3.201 19 HG3 PRO 3 1HG PRO 3 1.421 7.164 -1.743 20 HD2 PRO 3 2HD PRO 3 4.347 7.642 -2.190 21 HD3 PRO 3 1HD PRO 3 3.340 8.051 -0.783 22 H VAL 4 H VAL 4 5.441 3.961 -0.851 23 HA VAL 4 HA VAL 4 6.580 3.253 -3.465 24 HB VAL 4 HB VAL 4 8.719 3.008 -2.196 25 HG11 VAL 4 1HG1 VAL 4 8.271 5.006 -3.484 26 HG12 VAL 4 2HG1 VAL 4 9.100 5.443 -1.989 27 HG13 VAL 4 3HG1 VAL 4 7.361 5.699 -2.142 28 HG21 VAL 4 3HG2 VAL 4 8.570 4.472 0.014 29 HG22 VAL 4 1HG2 VAL 4 8.320 2.727 0.029 30 HG23 VAL 4 2HG2 VAL 4 6.933 3.816 0.028 31 H CYS 5 H CYS 5 4.591 1.670 -1.989 32 HA CYS 5 HA CYS 5 6.083 -0.714 -1.234 33 HB2 CYS 5 2HB CYS 5 3.080 -0.388 -1.294 34 HB3 CYS 5 1HB CYS 5 4.015 -1.614 -0.427 35 H GLY 6 H GLY 6 3.994 0.523 -3.746 36 HA2 GLY 6 2HA GLY 6 3.860 -0.175 -5.956 37 HA3 GLY 6 1HA GLY 6 4.882 -1.546 -5.555 38 H GLU 7 H GLU 7 2.676 -1.753 -3.253 39 HA GLU 7 HA GLU 7 1.152 -3.755 -4.690 40 HB2 GLU 7 2HB GLU 7 0.786 -2.983 -1.800 41 HB3 GLU 7 1HB GLU 7 0.365 -4.495 -2.583 42 HG2 GLU 7 2HG GLU 7 3.207 -3.583 -2.359 43 HG3 GLU 7 1HG GLU 7 2.406 -4.492 -1.079 44 H THR 8 H THR 8 -1.018 -3.791 -4.932 45 HA THR 8 HA THR 8 -2.399 -1.219 -4.673 46 HB THR 8 HB THR 8 -4.154 -2.334 -6.117 47 HG1 THR 8 1HG THR 8 -2.145 -4.194 -6.829 48 HG21 THR 8 3HG2 THR 8 -2.231 -0.810 -6.904 49 HG22 THR 8 1HG2 THR 8 -3.083 -1.765 -8.116 50 HG23 THR 8 2HG2 THR 8 -1.504 -2.290 -7.529 51 H CYS 9 H CYS 9 -4.422 -1.149 -3.542 52 HA CYS 9 HA CYS 9 -4.977 -3.598 -2.016 53 HB2 CYS 9 2HB CYS 9 -5.029 -2.484 0.052 54 HB3 CYS 9 1HB CYS 9 -3.592 -1.884 -0.751 55 H THR 10 H THR 10 -6.432 -2.729 -4.276 56 HA THR 10 HA THR 10 -8.758 -1.298 -3.522 57 HB THR 10 HB THR 10 -8.128 -1.549 -5.872 58 HG1 THR 10 1HG THR 10 -10.667 -2.480 -5.024 59 HG21 THR 10 3HG2 THR 10 -8.348 -4.408 -5.242 60 HG22 THR 10 1HG2 THR 10 -7.382 -3.586 -6.467 61 HG23 THR 10 2HG2 THR 10 -9.087 -3.925 -6.769 62 H LEU 11 H LEU 11 -7.755 -4.578 -3.156 63 HA LEU 11 HA LEU 11 -10.378 -5.613 -2.527 64 HB2 LEU 11 2HB LEU 11 -7.627 -6.815 -2.188 65 HB3 LEU 11 1HB LEU 11 -9.115 -7.650 -1.799 66 HG LEU 11 HG LEU 11 -8.560 -8.509 -3.869 67 HD11 LEU 11 1HD1 LEU 11 -10.293 -7.935 -5.284 68 HD12 LEU 11 2HD1 LEU 11 -10.221 -6.228 -4.849 69 HD13 LEU 11 3HD1 LEU 11 -10.878 -7.402 -3.708 70 HD21 LEU 11 3HD2 LEU 11 -7.849 -7.083 -5.796 71 HD22 LEU 11 1HD2 LEU 11 -6.705 -7.153 -4.455 72 HD23 LEU 11 2HD2 LEU 11 -7.729 -5.733 -4.667 73 H GLY 12 H GLY 12 -7.997 -3.857 -0.918 74 HA2 GLY 12 2HA GLY 12 -8.189 -2.952 1.238 75 HA3 GLY 12 1HA GLY 12 -9.371 -4.195 1.628 76 H THR 13 H THR 13 -6.256 -4.797 0.166 77 HA THR 13 HA THR 13 -5.204 -5.865 2.680 78 HB THR 13 HB THR 13 -4.331 -7.851 1.332 79 HG1 THR 13 1HG THR 13 -4.825 -7.019 -0.750 80 HG21 THR 13 3HG2 THR 13 -7.154 -7.417 2.172 81 HG22 THR 13 1HG2 THR 13 -5.945 -8.536 2.805 82 HG23 THR 13 2HG2 THR 13 -6.770 -8.893 1.286 83 H CYS 14 H CYS 14 -2.936 -5.853 2.812 84 HA CYS 14 HA CYS 14 -1.491 -4.719 0.538 85 HB2 CYS 14 2HB CYS 14 -1.372 -3.805 3.415 86 HB3 CYS 14 1HB CYS 14 -0.100 -3.444 2.253 87 H TYR 15 H TYR 15 0.043 -5.936 -0.044 88 HA TYR 15 HA TYR 15 0.863 -8.210 1.462 89 HB2 TYR 15 2HB TYR 15 0.604 -8.046 -1.064 90 HB3 TYR 15 1HB TYR 15 2.136 -7.179 -1.067 91 HD1 TYR 15 2HD TYR 15 0.953 -10.174 0.805 92 HD2 TYR 15 1HD TYR 15 3.769 -8.560 -1.941 93 HE1 TYR 15 2HE TYR 15 2.139 -12.315 0.781 94 HE2 TYR 15 1HE TYR 15 4.969 -10.702 -1.976 95 HH TYR 15 HH TYR 15 5.123 -12.743 -1.103 96 H THR 16 H THR 16 2.206 -5.032 0.844 97 HA THR 16 HA THR 16 4.819 -5.723 1.779 98 HB THR 16 HB THR 16 4.817 -3.053 1.902 99 HG1 THR 16 1HG THR 16 3.121 -3.545 -0.305 100 HG21 THR 16 3HG2 THR 16 5.829 -3.092 -0.273 101 HG22 THR 16 1HG2 THR 16 4.996 -4.590 -0.693 102 HG23 THR 16 2HG2 THR 16 6.255 -4.597 0.541 103 H GLN 17 H GLN 17 5.847 -4.747 3.607 104 HA GLN 17 HA GLN 17 4.113 -4.794 5.943 105 HB2 GLN 17 2HB GLN 17 7.126 -4.745 5.724 106 HB3 GLN 17 1HB GLN 17 6.237 -4.836 7.235 107 HG2 GLN 17 2HG GLN 17 6.959 -7.025 6.724 108 HG3 GLN 17 1HG GLN 17 5.226 -6.973 6.411 109 HE21 GLN 17 1HE2 GLN 17 4.698 -8.084 4.680 110 HE22 GLN 17 2HE2 GLN 17 5.620 -8.214 3.226 111 H GLY 18 H GLY 18 3.732 -3.124 7.283 112 HA2 GLY 18 2HA GLY 18 3.791 -0.988 8.168 113 HA3 GLY 18 1HA GLY 18 5.263 -0.694 7.251 114 H CYS 19 H CYS 19 3.082 -1.871 5.148 115 HA CYS 19 HA CYS 19 2.532 0.751 4.055 116 HB2 CYS 19 2HB CYS 19 2.200 -2.056 3.000 117 HB3 CYS 19 1HB CYS 19 1.749 -0.626 2.081 118 H THR 20 H THR 20 0.589 1.697 3.978 119 HA THR 20 HA THR 20 -1.640 0.274 5.261 120 HB THR 20 HB THR 20 -2.567 2.572 5.687 121 HG1 THR 20 1HG THR 20 0.051 3.357 4.835 122 HG21 THR 20 3HG2 THR 20 -1.702 2.122 7.695 123 HG22 THR 20 1HG2 THR 20 -0.253 3.000 7.205 124 HG23 THR 20 2HG2 THR 20 -0.347 1.253 6.975 125 H CYS 21 H CYS 21 -3.614 0.178 4.288 126 HA CYS 21 HA CYS 21 -3.670 0.379 1.478 127 HB2 CYS 21 2HB CYS 21 -5.064 -1.225 2.739 128 HB3 CYS 21 1HB CYS 21 -6.019 0.117 3.361 129 H SER 22 H SER 22 -3.975 1.996 0.253 130 HA SER 22 HA SER 22 -5.610 4.284 1.075 131 HB2 SER 22 2HB SER 22 -3.011 4.616 -0.434 132 HB3 SER 22 1HB SER 22 -3.958 5.850 0.397 133 HG SER 22 HG SER 22 -2.679 3.675 1.696 134 H TRP 23 H TRP 23 -6.995 2.838 -0.215 135 HA TRP 23 HA TRP 23 -6.962 1.789 -2.570 136 HB2 TRP 23 2HB TRP 23 -9.032 2.266 -1.245 137 HB3 TRP 23 1HB TRP 23 -9.088 3.853 -2.009 138 HD1 TRP 23 HD TRP 23 -9.093 0.123 -3.090 139 HE1 TRP 23 1HE TRP 23 -10.530 -0.089 -5.215 140 HE3 TRP 23 3HE TRP 23 -10.192 5.062 -3.817 141 HZ2 TRP 23 2HZ TRP 23 -11.940 1.613 -6.964 142 HZ3 TRP 23 3HZ TRP 23 -11.591 5.687 -5.742 143 HH2 TRP 23 HH TRP 23 -12.444 3.998 -7.285 144 HA PRO 24 HA PRO 24 -6.787 1.139 -3.974 145 HB2 PRO 24 2HB PRO 24 -6.008 0.613 -6.488 146 HB3 PRO 24 1HB PRO 24 -7.612 1.258 -6.126 147 HG2 PRO 24 2HG PRO 24 -5.344 2.572 -7.436 148 HG3 PRO 24 1HG PRO 24 -7.043 3.056 -7.400 149 HD2 PRO 24 2HD PRO 24 -4.818 3.975 -5.727 150 HD3 PRO 24 1HD PRO 24 -6.437 4.683 -5.931 151 H ILE 25 H ILE 25 -4.253 2.730 -3.156 152 HA ILE 25 HA ILE 25 -2.343 0.567 -3.826 153 HB ILE 25 HB ILE 25 -0.533 2.096 -4.086 154 HG12 ILE 25 2HG1 ILE 25 -2.507 4.223 -3.236 155 HG13 ILE 25 1HG1 ILE 25 -1.039 3.725 -2.393 156 HG21 ILE 25 1HG2 ILE 25 -1.857 3.764 -5.827 157 HG22 ILE 25 2HG2 ILE 25 -2.923 2.363 -5.723 158 HG23 ILE 25 3HG2 ILE 25 -1.238 2.155 -6.201 159 HD11 ILE 25 3HD1 ILE 25 -0.862 5.897 -3.577 160 HD12 ILE 25 1HD1 ILE 25 -1.071 5.037 -5.103 161 HD13 ILE 25 2HD1 ILE 25 0.332 4.704 -4.087 162 H CYS 26 H CYS 26 -0.514 0.386 -2.338 163 HA CYS 26 HA CYS 26 -1.331 1.038 0.408 164 HB2 CYS 26 2HB CYS 26 0.704 -0.970 -0.589 165 HB3 CYS 26 1HB CYS 26 0.259 -0.715 1.095 166 H LYS 27 H LYS 27 -0.119 2.375 1.670 167 HA LYS 27 HA LYS 27 2.439 3.329 0.543 168 HB2 LYS 27 2HB LYS 27 1.962 5.557 1.308 169 HB3 LYS 27 1HB LYS 27 0.602 5.004 0.344 170 HG2 LYS 27 2HG LYS 27 -0.633 4.496 2.399 171 HG3 LYS 27 1HG LYS 27 0.728 5.091 3.349 172 HD2 LYS 27 2HD LYS 27 0.464 7.297 2.229 173 HD3 LYS 27 1HD LYS 27 -0.991 6.674 1.443 174 HE2 LYS 27 2HE LYS 27 -0.514 7.034 4.397 175 HE3 LYS 27 1HE LYS 27 -1.657 7.914 3.384 176 HZ1 LYS 27 3HZ LYS 27 -1.811 5.151 4.390 177 HZ2 LYS 27 1HZ LYS 27 -2.608 5.556 2.947 178 HZ3 LYS 27 2HZ LYS 27 -2.997 6.360 4.387 179 H ARG 28 H ARG 28 4.149 3.234 1.825 180 HA ARG 28 HA ARG 28 3.745 2.519 4.649 181 HB2 ARG 28 2HB ARG 28 5.042 0.903 3.378 182 HB3 ARG 28 1HB ARG 28 6.139 2.164 2.847 183 HG2 ARG 28 2HG ARG 28 6.923 2.473 5.117 184 HG3 ARG 28 1HG ARG 28 5.773 1.263 5.693 185 HD2 ARG 28 2HD ARG 28 8.037 0.344 5.440 186 HD3 ARG 28 1HD ARG 28 6.872 -0.449 4.381 187 HE ARG 28 HE ARG 28 8.154 1.684 3.029 188 HH11 ARG 28 1HH1 ARG 28 8.685 -1.576 4.160 189 HH12 ARG 28 2HH1 ARG 28 9.890 -1.940 2.970 190 HH21 ARG 28 1HH2 ARG 28 9.744 1.221 1.440 191 HH22 ARG 28 2HH2 ARG 28 10.492 -0.339 1.411 192 H ASN 29 H ASN 29 4.416 3.827 6.186 193 HA ASN 29 HA ASN 29 5.078 5.739 7.238 194 HB2 ASN 29 2HB ASN 29 7.320 5.403 5.245 195 HB3 ASN 29 1HB ASN 29 7.320 6.681 6.455 196 HD21 ASN 29 1HD2 ASN 29 8.493 6.210 8.149 197 HD22 ASN 29 2HD2 ASN 29 8.722 4.643 8.836 Start of MODEL 19 1 H1 GLY 1 H GLY 1 2.959 5.902 5.344 2 HA2 GLY 1 2HA GLY 1 2.010 7.741 4.345 3 HA3 GLY 1 1HA GLY 1 3.312 8.705 5.021 4 H LEU 2 H LEU 2 4.225 6.009 3.070 5 HA LEU 2 HA LEU 2 4.551 7.736 0.719 6 HB2 LEU 2 2HB LEU 2 6.673 5.954 1.926 7 HB3 LEU 2 1HB LEU 2 6.804 6.739 0.365 8 HG LEU 2 HG LEU 2 6.538 8.211 2.988 9 HD11 LEU 2 1HD1 LEU 2 8.652 7.426 3.234 10 HD12 LEU 2 2HD1 LEU 2 9.007 8.795 2.181 11 HD13 LEU 2 3HD1 LEU 2 8.880 7.172 1.504 12 HD21 LEU 2 3HD2 LEU 2 7.084 10.176 1.730 13 HD22 LEU 2 1HD2 LEU 2 5.717 9.383 0.947 14 HD23 LEU 2 2HD2 LEU 2 7.336 9.227 0.264 15 HA PRO 3 HA PRO 3 2.758 4.040 -1.061 16 HB2 PRO 3 2HB PRO 3 2.414 5.017 -3.544 17 HB3 PRO 3 1HB PRO 3 1.394 5.524 -2.192 18 HG2 PRO 3 2HG PRO 3 3.727 6.924 -3.437 19 HG3 PRO 3 1HG PRO 3 2.177 7.594 -2.895 20 HD2 PRO 3 2HD PRO 3 4.492 7.728 -1.436 21 HD3 PRO 3 1HD PRO 3 2.870 7.750 -0.719 22 H VAL 4 H VAL 4 5.435 3.794 -0.651 23 HA VAL 4 HA VAL 4 6.626 3.233 -3.274 24 HB VAL 4 HB VAL 4 8.744 2.936 -1.980 25 HG11 VAL 4 1HG1 VAL 4 8.937 4.979 -2.879 26 HG12 VAL 4 2HG1 VAL 4 8.549 5.579 -1.266 27 HG13 VAL 4 3HG1 VAL 4 7.274 5.407 -2.474 28 HG21 VAL 4 3HG2 VAL 4 7.338 4.310 0.286 29 HG22 VAL 4 1HG2 VAL 4 8.933 3.559 0.271 30 HG23 VAL 4 2HG2 VAL 4 7.485 2.554 0.208 31 H CYS 5 H CYS 5 4.635 1.536 -1.864 32 HA CYS 5 HA CYS 5 6.168 -0.862 -1.256 33 HB2 CYS 5 2HB CYS 5 3.162 -0.477 -1.265 34 HB3 CYS 5 1HB CYS 5 4.033 -1.881 -0.643 35 H GLY 6 H GLY 6 4.203 0.532 -3.748 36 HA2 GLY 6 2HA GLY 6 3.959 -0.029 -5.961 37 HA3 GLY 6 1HA GLY 6 5.182 -1.267 -5.719 38 H GLU 7 H GLU 7 2.179 -1.052 -3.917 39 HA GLU 7 HA GLU 7 1.158 -3.381 -5.386 40 HB2 GLU 7 2HB GLU 7 0.961 -3.055 -2.388 41 HB3 GLU 7 1HB GLU 7 0.417 -4.421 -3.343 42 HG2 GLU 7 2HG GLU 7 2.629 -5.098 -3.835 43 HG3 GLU 7 1HG GLU 7 3.301 -3.604 -3.183 44 H THR 8 H THR 8 -1.051 -3.557 -5.494 45 HA THR 8 HA THR 8 -2.518 -1.084 -4.984 46 HB THR 8 HB THR 8 -4.351 -2.200 -6.270 47 HG1 THR 8 1HG THR 8 -3.084 -4.366 -5.830 48 HG21 THR 8 3HG2 THR 8 -2.154 -2.379 -8.191 49 HG22 THR 8 1HG2 THR 8 -2.099 -0.921 -7.202 50 HG23 THR 8 2HG2 THR 8 -3.538 -1.286 -8.155 51 H CYS 9 H CYS 9 -4.305 -1.054 -3.589 52 HA CYS 9 HA CYS 9 -4.653 -3.550 -2.067 53 HB2 CYS 9 2HB CYS 9 -4.658 -2.414 -0.012 54 HB3 CYS 9 1HB CYS 9 -3.324 -1.714 -0.910 55 H THR 10 H THR 10 -6.273 -2.645 -4.277 56 HA THR 10 HA THR 10 -8.664 -1.464 -3.331 57 HB THR 10 HB THR 10 -8.091 -1.547 -5.728 58 HG1 THR 10 1HG THR 10 -10.561 -2.637 -4.851 59 HG21 THR 10 3HG2 THR 10 -8.629 -4.487 -5.403 60 HG22 THR 10 1HG2 THR 10 -7.190 -3.706 -6.059 61 HG23 THR 10 2HG2 THR 10 -8.703 -3.670 -6.965 62 H LEU 11 H LEU 11 -7.375 -4.645 -3.170 63 HA LEU 11 HA LEU 11 -9.868 -5.954 -2.526 64 HB2 LEU 11 2HB LEU 11 -6.998 -6.876 -2.367 65 HB3 LEU 11 1HB LEU 11 -8.355 -7.874 -1.893 66 HG LEU 11 HG LEU 11 -7.829 -8.615 -4.025 67 HD11 LEU 11 1HD1 LEU 11 -10.093 -6.668 -4.117 68 HD12 LEU 11 2HD1 LEU 11 -10.135 -8.429 -4.039 69 HD13 LEU 11 3HD1 LEU 11 -9.656 -7.624 -5.533 70 HD21 LEU 11 3HD2 LEU 11 -6.824 -5.977 -4.402 71 HD22 LEU 11 1HD2 LEU 11 -7.892 -6.388 -5.743 72 HD23 LEU 11 2HD2 LEU 11 -6.522 -7.430 -5.356 73 H GLY 12 H GLY 12 -7.682 -4.000 -0.912 74 HA2 GLY 12 2HA GLY 12 -7.798 -3.233 1.282 75 HA3 GLY 12 1HA GLY 12 -8.944 -4.515 1.640 76 H THR 13 H THR 13 -5.713 -4.752 0.253 77 HA THR 13 HA THR 13 -4.598 -5.835 2.690 78 HB THR 13 HB THR 13 -3.806 -7.817 0.981 79 HG1 THR 13 1HG THR 13 -6.593 -7.469 0.520 80 HG21 THR 13 3HG2 THR 13 -5.783 -9.111 2.163 81 HG22 THR 13 1HG2 THR 13 -5.894 -7.618 3.096 82 HG23 THR 13 2HG2 THR 13 -4.389 -8.538 3.080 83 H CYS 14 H CYS 14 -2.309 -6.081 2.598 84 HA CYS 14 HA CYS 14 -0.899 -5.149 0.241 85 HB2 CYS 14 2HB CYS 14 -0.629 -3.853 2.971 86 HB3 CYS 14 1HB CYS 14 0.460 -3.562 1.619 87 H TYR 15 H TYR 15 0.867 -6.323 -0.031 88 HA TYR 15 HA TYR 15 1.515 -8.373 1.894 89 HB2 TYR 15 2HB TYR 15 2.658 -7.753 -0.837 90 HB3 TYR 15 1HB TYR 15 3.169 -9.111 0.157 91 HD1 TYR 15 2HD TYR 15 -0.064 -7.658 -1.079 92 HD2 TYR 15 1HD TYR 15 2.276 -11.147 -0.407 93 HE1 TYR 15 2HE TYR 15 -1.853 -9.037 -2.047 94 HE2 TYR 15 1HE TYR 15 0.494 -12.535 -1.376 95 HH TYR 15 HH TYR 15 -2.588 -11.120 -2.397 96 H THR 16 H THR 16 2.917 -5.417 0.681 97 HA THR 16 HA THR 16 5.510 -5.693 1.637 98 HB THR 16 HB THR 16 5.342 -3.103 1.860 99 HG1 THR 16 1HG THR 16 3.046 -3.763 0.264 100 HG21 THR 16 3HG2 THR 16 5.074 -3.443 -0.918 101 HG22 THR 16 1HG2 THR 16 5.782 -4.940 -0.308 102 HG23 THR 16 2HG2 THR 16 6.566 -3.395 0.022 103 H GLN 17 H GLN 17 6.573 -4.797 3.412 104 HA GLN 17 HA GLN 17 5.164 -5.202 5.885 105 HB2 GLN 17 2HB GLN 17 8.006 -4.261 5.532 106 HB3 GLN 17 1HB GLN 17 7.302 -5.016 6.952 107 HG2 GLN 17 2HG GLN 17 7.610 -6.384 4.293 108 HG3 GLN 17 1HG GLN 17 8.776 -6.496 5.605 109 HE21 GLN 17 1HE2 GLN 17 5.998 -6.320 7.222 110 HE22 GLN 17 2HE2 GLN 17 5.572 -7.988 7.311 111 H GLY 18 H GLY 18 4.290 -3.745 7.142 112 HA2 GLY 18 2HA GLY 18 3.769 -1.760 8.155 113 HA3 GLY 18 1HA GLY 18 5.309 -1.143 7.583 114 H CYS 19 H CYS 19 2.962 -2.358 5.322 115 HA CYS 19 HA CYS 19 2.649 0.362 4.270 116 HB2 CYS 19 2HB CYS 19 3.291 -1.837 2.912 117 HB3 CYS 19 1HB CYS 19 1.542 -2.020 2.856 118 H THR 20 H THR 20 0.583 1.245 3.857 119 HA THR 20 HA THR 20 -1.619 -0.119 5.264 120 HB THR 20 HB THR 20 -2.502 2.142 5.866 121 HG1 THR 20 1HG THR 20 -0.026 2.928 4.727 122 HG21 THR 20 3HG2 THR 20 -0.026 0.953 6.954 123 HG22 THR 20 1HG2 THR 20 -1.561 1.306 7.749 124 HG23 THR 20 2HG2 THR 20 -0.393 2.598 7.474 125 H CYS 21 H CYS 21 -3.621 -0.040 4.287 126 HA CYS 21 HA CYS 21 -3.582 0.317 1.482 127 HB2 CYS 21 2HB CYS 21 -5.001 -1.363 2.612 128 HB3 CYS 21 1HB CYS 21 -5.984 -0.060 3.272 129 H SER 22 H SER 22 -3.935 1.978 0.320 130 HA SER 22 HA SER 22 -5.582 4.204 1.261 131 HB2 SER 22 2HB SER 22 -2.832 4.442 -0.008 132 HB3 SER 22 1HB SER 22 -3.942 5.791 0.225 133 HG SER 22 HG SER 22 -3.388 4.242 2.465 134 H TRP 23 H TRP 23 -6.924 2.744 -0.039 135 HA TRP 23 HA TRP 23 -6.940 1.801 -2.438 136 HB2 TRP 23 2HB TRP 23 -8.962 2.152 -0.979 137 HB3 TRP 23 1HB TRP 23 -9.136 3.738 -1.725 138 HD1 TRP 23 HD TRP 23 -8.956 0.031 -2.870 139 HE1 TRP 23 1HE TRP 23 -10.493 -0.247 -4.917 140 HE3 TRP 23 3HE TRP 23 -10.449 4.889 -3.421 141 HZ2 TRP 23 2HZ TRP 23 -12.122 1.382 -6.544 142 HZ3 TRP 23 3HZ TRP 23 -11.998 5.446 -5.250 143 HH2 TRP 23 HH TRP 23 -12.814 3.727 -6.780 144 HA PRO 24 HA PRO 24 -6.937 1.222 -3.917 145 HB2 PRO 24 2HB PRO 24 -6.252 0.834 -6.485 146 HB3 PRO 24 1HB PRO 24 -7.848 1.432 -6.024 147 HG2 PRO 24 2HG PRO 24 -5.650 2.849 -7.351 148 HG3 PRO 24 1HG PRO 24 -7.360 3.291 -7.241 149 HD2 PRO 24 2HD PRO 24 -5.110 4.211 -5.616 150 HD3 PRO 24 1HD PRO 24 -6.765 4.853 -5.702 151 H ILE 25 H ILE 25 -4.373 2.879 -3.228 152 HA ILE 25 HA ILE 25 -2.474 0.769 -4.062 153 HB ILE 25 HB ILE 25 -0.715 2.302 -4.340 154 HG12 ILE 25 2HG1 ILE 25 -2.529 4.360 -3.059 155 HG13 ILE 25 1HG1 ILE 25 -1.022 3.712 -2.406 156 HG21 ILE 25 1HG2 ILE 25 -3.263 2.943 -5.655 157 HG22 ILE 25 2HG2 ILE 25 -1.688 2.557 -6.349 158 HG23 ILE 25 3HG2 ILE 25 -2.021 4.190 -5.773 159 HD11 ILE 25 3HD1 ILE 25 -0.837 6.007 -3.322 160 HD12 ILE 25 1HD1 ILE 25 -1.213 5.363 -4.920 161 HD13 ILE 25 2HD1 ILE 25 0.252 4.849 -4.083 162 H CYS 26 H CYS 26 -0.682 0.386 -2.686 163 HA CYS 26 HA CYS 26 -1.352 0.648 0.131 164 HB2 CYS 26 2HB CYS 26 0.804 -0.887 -1.334 165 HB3 CYS 26 1HB CYS 26 0.642 -0.866 0.419 166 H LYS 27 H LYS 27 -0.171 1.825 1.598 167 HA LYS 27 HA LYS 27 2.090 3.432 0.596 168 HB2 LYS 27 2HB LYS 27 0.050 4.760 0.465 169 HB3 LYS 27 1HB LYS 27 -0.338 4.373 2.130 170 HG2 LYS 27 2HG LYS 27 1.841 5.550 2.731 171 HG3 LYS 27 1HG LYS 27 1.806 6.176 1.079 172 HD2 LYS 27 2HD LYS 27 -0.331 6.528 3.181 173 HD3 LYS 27 1HD LYS 27 0.772 7.770 2.586 174 HE2 LYS 27 2HE LYS 27 -0.362 8.036 0.633 175 HE3 LYS 27 1HE LYS 27 -0.870 6.349 0.574 176 HZ1 LYS 27 3HZ LYS 27 -2.656 6.736 1.938 177 HZ2 LYS 27 1HZ LYS 27 -2.601 8.186 1.059 178 HZ3 LYS 27 2HZ LYS 27 -1.983 8.129 2.633 179 H ARG 28 H ARG 28 3.809 3.024 1.895 180 HA ARG 28 HA ARG 28 3.270 2.347 4.704 181 HB2 ARG 28 2HB ARG 28 5.421 1.255 4.775 182 HB3 ARG 28 1HB ARG 28 4.478 0.626 3.439 183 HG2 ARG 28 2HG ARG 28 5.767 2.054 1.894 184 HG3 ARG 28 1HG ARG 28 6.746 2.595 3.260 185 HD2 ARG 28 2HD ARG 28 6.527 -0.190 2.131 186 HD3 ARG 28 1HD ARG 28 7.950 0.851 2.163 187 HE ARG 28 HE ARG 28 7.029 -0.875 4.242 188 HH11 ARG 28 1HH1 ARG 28 8.740 2.128 3.652 189 HH12 ARG 28 2HH1 ARG 28 9.534 2.126 5.190 190 HH21 ARG 28 1HH2 ARG 28 8.063 -0.875 6.266 191 HH22 ARG 28 2HH2 ARG 28 9.150 0.408 6.686 192 H ASN 29 H ASN 29 4.015 3.543 6.294 193 HA ASN 29 HA ASN 29 4.784 5.381 7.402 194 HB2 ASN 29 2HB ASN 29 6.940 4.147 6.738 195 HB3 ASN 29 1HB ASN 29 7.119 5.377 5.491 196 HD21 ASN 29 1HD2 ASN 29 8.265 7.092 6.031 197 HD22 ASN 29 2HD2 ASN 29 8.555 7.656 7.637 Start of MODEL 20 1 H1 GLY 1 H GLY 1 3.114 5.755 5.336 2 HA2 GLY 1 2HA GLY 1 1.919 7.499 4.390 3 HA3 GLY 1 1HA GLY 1 3.121 8.619 5.009 4 H LEU 2 H LEU 2 4.390 5.984 3.216 5 HA LEU 2 HA LEU 2 4.634 7.707 0.835 6 HB2 LEU 2 2HB LEU 2 6.675 5.774 1.946 7 HB3 LEU 2 1HB LEU 2 6.842 6.668 0.447 8 HG LEU 2 HG LEU 2 6.655 7.915 3.192 9 HD11 LEU 2 1HD1 LEU 2 8.926 6.993 1.532 10 HD12 LEU 2 2HD1 LEU 2 8.763 7.086 3.285 11 HD13 LEU 2 3HD1 LEU 2 9.103 8.544 2.353 12 HD21 LEU 2 3HD2 LEU 2 5.877 9.565 1.784 13 HD22 LEU 2 1HD2 LEU 2 6.853 9.014 0.423 14 HD23 LEU 2 2HD2 LEU 2 7.613 9.877 1.761 15 HA PRO 3 HA PRO 3 2.606 4.178 -1.043 16 HB2 PRO 3 2HB PRO 3 2.310 5.254 -3.491 17 HB3 PRO 3 1HB PRO 3 1.328 5.765 -2.114 18 HG2 PRO 3 2HG PRO 3 3.744 7.072 -3.307 19 HG3 PRO 3 1HG PRO 3 2.226 7.811 -2.766 20 HD2 PRO 3 2HD PRO 3 4.502 7.806 -1.270 21 HD3 PRO 3 1HD PRO 3 2.873 7.826 -0.564 22 H VAL 4 H VAL 4 5.362 3.863 -0.730 23 HA VAL 4 HA VAL 4 6.301 3.121 -3.415 24 HB VAL 4 HB VAL 4 8.532 2.844 -2.262 25 HG11 VAL 4 1HG1 VAL 4 8.799 4.759 -3.378 26 HG12 VAL 4 2HG1 VAL 4 8.377 5.598 -1.885 27 HG13 VAL 4 3HG1 VAL 4 7.127 5.235 -3.075 28 HG21 VAL 4 3HG2 VAL 4 8.678 4.373 -0.179 29 HG22 VAL 4 1HG2 VAL 4 8.087 2.723 0.015 30 HG23 VAL 4 2HG2 VAL 4 6.946 4.067 -0.037 31 H CYS 5 H CYS 5 4.396 1.517 -2.025 32 HA CYS 5 HA CYS 5 5.881 -0.798 -1.083 33 HB2 CYS 5 2HB CYS 5 2.885 -0.541 -1.400 34 HB3 CYS 5 1HB CYS 5 3.763 -1.752 -0.457 35 H GLY 6 H GLY 6 3.981 0.227 -3.842 36 HA2 GLY 6 2HA GLY 6 4.077 -0.582 -6.012 37 HA3 GLY 6 1HA GLY 6 5.145 -1.861 -5.455 38 H GLU 7 H GLU 7 2.063 -1.233 -3.961 39 HA GLU 7 HA GLU 7 0.857 -3.510 -5.351 40 HB2 GLU 7 2HB GLU 7 0.895 -3.130 -2.354 41 HB3 GLU 7 1HB GLU 7 -0.094 -4.306 -3.197 42 HG2 GLU 7 2HG GLU 7 1.903 -5.441 -3.988 43 HG3 GLU 7 1HG GLU 7 2.912 -4.245 -3.172 44 H THR 8 H THR 8 -1.457 -3.561 -5.165 45 HA THR 8 HA THR 8 -2.584 -0.891 -4.694 46 HB THR 8 HB THR 8 -4.470 -1.639 -6.156 47 HG1 THR 8 1HG THR 8 -2.838 -3.611 -7.284 48 HG21 THR 8 3HG2 THR 8 -3.258 -0.298 -7.491 49 HG22 THR 8 1HG2 THR 8 -2.707 -1.791 -8.251 50 HG23 THR 8 2HG2 THR 8 -1.731 -1.030 -6.994 51 H CYS 9 H CYS 9 -4.364 -0.690 -3.388 52 HA CYS 9 HA CYS 9 -5.051 -3.131 -1.893 53 HB2 CYS 9 2HB CYS 9 -4.050 -1.105 -0.670 54 HB3 CYS 9 1HB CYS 9 -5.619 -0.349 -0.922 55 H THR 10 H THR 10 -6.257 -2.470 -4.420 56 HA THR 10 HA THR 10 -8.849 -1.383 -3.894 57 HB THR 10 HB THR 10 -7.868 -1.317 -6.162 58 HG1 THR 10 1HG THR 10 -10.346 -2.660 -5.788 59 HG21 THR 10 3HG2 THR 10 -6.758 -3.266 -6.636 60 HG22 THR 10 1HG2 THR 10 -8.288 -3.593 -7.449 61 HG23 THR 10 2HG2 THR 10 -7.974 -4.277 -5.854 62 H LEU 11 H LEU 11 -7.313 -4.447 -3.712 63 HA LEU 11 HA LEU 11 -9.740 -5.980 -3.434 64 HB2 LEU 11 2HB LEU 11 -6.853 -6.734 -2.966 65 HB3 LEU 11 1HB LEU 11 -8.203 -7.850 -2.928 66 HG LEU 11 HG LEU 11 -7.281 -6.298 -5.349 67 HD11 LEU 11 1HD1 LEU 11 -7.056 -8.960 -5.917 68 HD12 LEU 11 2HD1 LEU 11 -6.552 -8.895 -4.229 69 HD13 LEU 11 3HD1 LEU 11 -5.729 -7.905 -5.434 70 HD21 LEU 11 3HD2 LEU 11 -9.025 -7.152 -6.537 71 HD22 LEU 11 1HD2 LEU 11 -9.801 -7.030 -4.957 72 HD23 LEU 11 2HD2 LEU 11 -9.170 -8.580 -5.512 73 H GLY 12 H GLY 12 -7.744 -4.067 -1.433 74 HA2 GLY 12 2HA GLY 12 -8.210 -3.486 0.784 75 HA3 GLY 12 1HA GLY 12 -9.275 -4.879 0.903 76 H THR 13 H THR 13 -5.904 -4.764 -0.136 77 HA THR 13 HA THR 13 -4.808 -5.676 2.294 78 HB THR 13 HB THR 13 -5.847 -7.772 1.861 79 HG1 THR 13 1HG THR 13 -3.646 -8.897 1.088 80 HG21 THR 13 3HG2 THR 13 -4.885 -8.932 -0.385 81 HG22 THR 13 1HG2 THR 13 -5.036 -7.259 -0.921 82 HG23 THR 13 2HG2 THR 13 -6.445 -8.115 -0.294 83 H CYS 14 H CYS 14 -2.594 -6.230 2.123 84 HA CYS 14 HA CYS 14 -1.079 -5.836 -0.263 85 HB2 CYS 14 2HB CYS 14 -1.133 -3.669 1.844 86 HB3 CYS 14 1HB CYS 14 0.270 -3.916 0.813 87 H TYR 15 H TYR 15 0.818 -6.883 -0.036 88 HA TYR 15 HA TYR 15 1.296 -8.129 2.570 89 HB2 TYR 15 2HB TYR 15 2.296 -8.781 -0.197 90 HB3 TYR 15 1HB TYR 15 2.840 -9.621 1.250 91 HD1 TYR 15 2HD TYR 15 -0.429 -8.634 -0.308 92 HD2 TYR 15 1HD TYR 15 1.839 -11.649 1.662 93 HE1 TYR 15 2HE TYR 15 -2.333 -10.178 -0.491 94 HE2 TYR 15 1HE TYR 15 -0.059 -13.201 1.482 95 HH TYR 15 HH TYR 15 -2.098 -13.529 0.653 96 H THR 16 H THR 16 2.294 -5.330 1.412 97 HA THR 16 HA THR 16 5.131 -5.693 1.713 98 HB THR 16 HB THR 16 4.782 -3.002 1.759 99 HG1 THR 16 1HG THR 16 2.838 -4.112 -0.033 100 HG21 THR 16 3HG2 THR 16 6.138 -4.697 0.274 101 HG22 THR 16 1HG2 THR 16 5.799 -3.067 -0.304 102 HG23 THR 16 2HG2 THR 16 4.821 -4.423 -0.866 103 H GLN 17 H GLN 17 6.405 -4.470 3.206 104 HA GLN 17 HA GLN 17 5.413 -4.771 5.875 105 HB2 GLN 17 2HB GLN 17 7.700 -5.394 5.291 106 HB3 GLN 17 1HB GLN 17 8.061 -3.722 4.892 107 HG2 GLN 17 2HG GLN 17 7.602 -3.105 7.239 108 HG3 GLN 17 1HG GLN 17 7.367 -4.814 7.607 109 HE21 GLN 17 1HE2 GLN 17 9.066 -5.690 8.533 110 HE22 GLN 17 2HE2 GLN 17 10.717 -5.295 8.222 111 H GLY 18 H GLY 18 4.701 -3.341 7.217 112 HA2 GLY 18 2HA GLY 18 3.974 -1.380 8.145 113 HA3 GLY 18 1HA GLY 18 5.418 -0.658 7.459 114 H CYS 19 H CYS 19 3.227 -2.092 5.253 115 HA CYS 19 HA CYS 19 2.603 0.533 4.193 116 HB2 CYS 19 2HB CYS 19 2.298 -2.268 3.140 117 HB3 CYS 19 1HB CYS 19 1.647 -0.878 2.283 118 H THR 20 H THR 20 0.671 1.479 4.195 119 HA THR 20 HA THR 20 -1.495 0.079 5.607 120 HB THR 20 HB THR 20 -2.403 2.403 6.001 121 HG1 THR 20 1HG THR 20 0.205 3.145 5.093 122 HG21 THR 20 3HG2 THR 20 -0.289 2.944 7.574 123 HG22 THR 20 1HG2 THR 20 0.056 1.259 7.179 124 HG23 THR 20 2HG2 THR 20 -1.473 1.691 7.944 125 H CYS 21 H CYS 21 -3.529 -0.008 4.742 126 HA CYS 21 HA CYS 21 -3.760 0.042 1.946 127 HB2 CYS 21 2HB CYS 21 -5.158 -1.350 3.487 128 HB3 CYS 21 1HB CYS 21 -6.029 0.112 3.942 129 H SER 22 H SER 22 -3.921 1.682 0.657 130 HA SER 22 HA SER 22 -5.437 4.063 1.456 131 HB2 SER 22 2HB SER 22 -2.760 4.156 0.036 132 HB3 SER 22 1HB SER 22 -3.719 5.531 0.584 133 HG SER 22 HG SER 22 -3.056 3.668 2.528 134 H TRP 23 H TRP 23 -6.900 2.636 0.115 135 HA TRP 23 HA TRP 23 -6.756 1.780 -2.383 136 HB2 TRP 23 2HB TRP 23 -8.836 1.859 -1.000 137 HB3 TRP 23 1HB TRP 23 -9.050 3.535 -1.496 138 HD1 TRP 23 HD TRP 23 -8.788 0.033 -3.168 139 HE1 TRP 23 1HE TRP 23 -10.272 0.047 -5.273 140 HE3 TRP 23 3HE TRP 23 -10.295 4.919 -3.068 141 HZ2 TRP 23 2HZ TRP 23 -11.866 1.886 -6.699 142 HZ3 TRP 23 3HZ TRP 23 -11.798 5.726 -4.842 143 HH2 TRP 23 HH TRP 23 -12.564 4.240 -6.620 144 HA PRO 24 HA PRO 24 -6.942 1.392 -4.035 145 HB2 PRO 24 2HB PRO 24 -6.050 1.298 -6.578 146 HB3 PRO 24 1HB PRO 24 -7.681 1.825 -6.159 147 HG2 PRO 24 2HG PRO 24 -5.413 3.403 -7.138 148 HG3 PRO 24 1HG PRO 24 -7.134 3.805 -7.125 149 HD2 PRO 24 2HD PRO 24 -5.061 4.626 -5.271 150 HD3 PRO 24 1HD PRO 24 -6.752 5.159 -5.352 151 H ILE 25 H ILE 25 -4.396 2.857 -2.980 152 HA ILE 25 HA ILE 25 -2.519 0.717 -3.796 153 HB ILE 25 HB ILE 25 -0.659 2.236 -3.741 154 HG12 ILE 25 2HG1 ILE 25 -2.692 4.279 -2.824 155 HG13 ILE 25 1HG1 ILE 25 -1.238 3.744 -1.980 156 HG21 ILE 25 1HG2 ILE 25 -1.595 2.156 -5.882 157 HG22 ILE 25 2HG2 ILE 25 -1.372 3.875 -5.561 158 HG23 ILE 25 3HG2 ILE 25 -2.973 3.152 -5.415 159 HD11 ILE 25 3HD1 ILE 25 -1.022 5.117 -4.626 160 HD12 ILE 25 1HD1 ILE 25 0.154 5.008 -3.316 161 HD13 ILE 25 2HD1 ILE 25 -1.262 6.045 -3.146 162 H CYS 26 H CYS 26 -0.444 1.557 -2.111 163 HA CYS 26 HA CYS 26 -1.496 1.579 0.596 164 HB2 CYS 26 2HB CYS 26 0.101 -0.683 -0.576 165 HB3 CYS 26 1HB CYS 26 0.207 -0.307 1.141 166 H LYS 27 H LYS 27 -0.122 2.558 2.044 167 HA LYS 27 HA LYS 27 2.465 3.463 0.946 168 HB2 LYS 27 2HB LYS 27 0.728 5.112 2.778 169 HB3 LYS 27 1HB LYS 27 2.162 5.628 1.907 170 HG2 LYS 27 2HG LYS 27 0.888 5.258 -0.218 171 HG3 LYS 27 1HG LYS 27 -0.544 5.003 0.779 172 HD2 LYS 27 2HD LYS 27 1.148 7.498 0.679 173 HD3 LYS 27 1HD LYS 27 -0.467 7.302 -0.001 174 HE2 LYS 27 2HE LYS 27 0.183 7.014 2.930 175 HE3 LYS 27 1HE LYS 27 -0.392 8.507 2.190 176 HZ1 LYS 27 3HZ LYS 27 -2.173 7.203 3.231 177 HZ2 LYS 27 1HZ LYS 27 -1.874 5.925 2.161 178 HZ3 LYS 27 2HZ LYS 27 -2.426 7.414 1.574 179 H ARG 28 H ARG 28 4.200 3.261 2.251 180 HA ARG 28 HA ARG 28 3.682 2.401 5.015 181 HB2 ARG 28 2HB ARG 28 5.881 1.432 5.081 182 HB3 ARG 28 1HB ARG 28 5.042 0.827 3.671 183 HG2 ARG 28 2HG ARG 28 6.350 2.145 2.207 184 HG3 ARG 28 1HG ARG 28 6.991 3.106 3.543 185 HD2 ARG 28 2HD ARG 28 8.694 1.570 2.895 186 HD3 ARG 28 1HD ARG 28 8.037 1.010 4.432 187 HE ARG 28 HE ARG 28 7.208 -0.860 3.384 188 HH11 ARG 28 1HH1 ARG 28 8.408 1.407 1.016 189 HH12 ARG 28 2HH1 ARG 28 8.172 0.345 -0.336 190 HH21 ARG 28 1HH2 ARG 28 6.923 -2.293 1.613 191 HH22 ARG 28 2HH2 ARG 28 7.347 -1.779 0.014 192 H ASN 29 H ASN 29 4.208 3.702 6.590 193 HA ASN 29 HA ASN 29 4.819 5.607 7.697 194 HB2 ASN 29 2HB ASN 29 7.171 5.331 5.820 195 HB3 ASN 29 1HB ASN 29 7.084 6.587 7.047 196 HD21 ASN 29 1HD2 ASN 29 5.515 4.228 8.523 197 HD22 ASN 29 2HD2 ASN 29 6.817 3.397 9.291
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