NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
28180 | 2ys0 | 11150 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 10.864 17.810 11.800 2 HA2 GLY 1 1HA GLY 1 11.615 18.824 9.696 3 HA3 GLY 1 2HA GLY 1 11.563 17.075 9.524 4 H SER 2 H SER 2 11.441 17.976 7.206 5 HA SER 2 HA SER 2 9.059 19.125 6.247 6 HB2 SER 2 1HB SER 2 11.124 17.421 4.839 7 HB3 SER 2 2HB SER 2 9.825 18.283 4.015 8 HG SER 2 HG SER 2 10.767 20.182 5.245 9 H SER 3 H SER 3 7.373 18.153 4.985 10 HA SER 3 HA SER 3 6.216 15.898 6.204 11 HB2 SER 3 1HB SER 3 4.880 17.631 5.091 12 HB3 SER 3 2HB SER 3 5.558 17.163 3.532 13 HG SER 3 HG SER 3 4.090 15.680 3.436 14 H GLY 4 H GLY 4 7.764 16.280 3.019 15 HA2 GLY 4 1HA GLY 4 9.306 14.246 2.633 16 HA3 GLY 4 2HA GLY 4 7.800 13.349 2.756 17 H SER 5 H SER 5 9.209 13.015 0.509 18 HA SER 5 HA SER 5 8.252 14.866 -1.521 19 HB2 SER 5 1HB SER 5 9.664 13.647 -3.059 20 HB3 SER 5 2HB SER 5 10.579 13.948 -1.583 21 HG SER 5 HG SER 5 10.920 11.854 -1.836 22 H SER 6 H SER 6 7.484 13.728 -3.630 23 HA SER 6 HA SER 6 4.971 12.601 -3.124 24 HB2 SER 6 1HB SER 6 4.842 12.222 -5.540 25 HB3 SER 6 2HB SER 6 5.534 13.809 -5.204 26 HG SER 6 HG SER 6 6.578 12.169 -6.786 27 H GLY 7 H GLY 7 4.277 10.575 -2.817 28 HA2 GLY 7 1HA GLY 7 6.155 8.370 -3.389 29 HA3 GLY 7 2HA GLY 7 5.286 8.455 -1.864 30 H TRP 8 H TRP 8 4.815 8.235 -5.370 31 HA TRP 8 HA TRP 8 2.091 7.326 -5.055 32 HB2 TRP 8 1HB TRP 8 3.888 7.682 -7.452 33 HB3 TRP 8 2HB TRP 8 2.268 6.999 -7.574 34 HD1 TRP 8 HD1 TRP 8 4.012 10.212 -7.787 35 HE1 TRP 8 HE1 TRP 8 2.353 12.175 -7.657 36 HE3 TRP 8 HE3 TRP 8 -0.108 7.681 -6.129 37 HZ2 TRP 8 HZ2 TRP 8 -0.346 12.595 -6.946 38 HZ3 TRP 8 HZ3 TRP 8 -2.189 8.937 -5.747 39 HH2 TRP 8 HH2 TRP 8 -2.304 11.343 -6.148 40 H THR 9 H THR 9 3.848 5.676 -3.676 41 HA THR 9 HA THR 9 3.415 3.155 -5.093 42 HB THR 9 HB THR 9 5.648 2.312 -4.434 43 HG1 THR 9 HG1 THR 9 5.833 4.911 -3.397 44 HG21 THR 9 3HG2 THR 9 5.525 4.729 -6.228 45 HG22 THR 9 1HG2 THR 9 5.458 3.029 -6.689 46 HG23 THR 9 2HG2 THR 9 6.963 3.719 -6.081 47 H CYS 10 H CYS 10 3.614 1.263 -3.650 48 HA CYS 10 HA CYS 10 3.033 1.958 -0.845 49 HB2 CYS 10 1HB CYS 10 1.606 0.105 -2.717 50 HB3 CYS 10 2HB CYS 10 1.614 -0.247 -0.992 51 H ASN 11 H ASN 11 3.461 0.215 0.704 52 HA ASN 11 HA ASN 11 5.696 -1.488 -0.184 53 HB2 ASN 11 1HB ASN 11 6.114 0.460 1.487 54 HB3 ASN 11 2HB ASN 11 5.339 -0.599 2.663 55 HD21 ASN 11 1HD2 ASN 11 8.219 0.393 1.696 56 HD22 ASN 11 2HD2 ASN 11 9.172 -1.016 1.997 57 H LYS 12 H LYS 12 5.851 -3.585 0.658 58 HA LYS 12 HA LYS 12 3.647 -5.144 0.779 59 HB2 LYS 12 1HB LYS 12 6.119 -5.828 0.845 60 HB3 LYS 12 2HB LYS 12 5.988 -5.698 2.594 61 HG2 LYS 12 1HG LYS 12 4.626 -7.531 2.769 62 HG3 LYS 12 2HG LYS 12 4.007 -7.365 1.125 63 HD2 LYS 12 1HD LYS 12 6.899 -7.956 1.475 64 HD3 LYS 12 2HD LYS 12 5.744 -9.255 1.782 65 HE2 LYS 12 1HE LYS 12 6.301 -9.476 -0.484 66 HE3 LYS 12 2HE LYS 12 4.738 -8.661 -0.486 67 HZ1 LYS 12 3HZ LYS 12 5.740 -6.616 -0.995 68 HZ2 LYS 12 1HZ LYS 12 6.493 -7.735 -2.017 69 HZ3 LYS 12 2HZ LYS 12 7.295 -7.178 -0.637 70 H PHE 13 H PHE 13 5.260 -3.764 3.643 71 HA PHE 13 HA PHE 13 3.419 -4.717 5.532 72 HB2 PHE 13 1HB PHE 13 5.205 -2.278 5.616 73 HB3 PHE 13 2HB PHE 13 4.333 -2.920 7.005 74 HD1 PHE 13 HD2 PHE 13 4.920 -5.158 7.898 75 HD2 PHE 13 HD1 PHE 13 7.227 -3.248 4.874 76 HE1 PHE 13 HE2 PHE 13 6.795 -6.678 8.374 77 HE2 PHE 13 HE1 PHE 13 9.106 -4.765 5.344 78 HZ PHE 13 HZ PHE 13 8.892 -6.483 7.097 79 H ARG 14 H ARG 14 3.605 -1.578 3.876 80 HA ARG 14 HA ARG 14 1.558 -0.211 5.045 81 HB2 ARG 14 1HB ARG 14 2.229 -0.325 2.098 82 HB3 ARG 14 2HB ARG 14 1.203 0.895 2.841 83 HG2 ARG 14 1HG ARG 14 4.019 0.440 3.759 84 HG3 ARG 14 2HG ARG 14 3.639 1.497 2.398 85 HD2 ARG 14 1HD ARG 14 2.402 1.784 5.128 86 HD3 ARG 14 2HD ARG 14 3.859 2.641 4.626 87 HE ARG 14 HE ARG 14 1.174 3.293 3.943 88 HH11 ARG 14 1HH1 ARG 14 4.442 3.336 2.744 89 HH12 ARG 14 2HH1 ARG 14 4.168 4.666 1.667 90 HH21 ARG 14 1HH2 ARG 14 0.801 5.043 2.530 91 HH22 ARG 14 2HH2 ARG 14 2.097 5.637 1.547 92 H CYS 15 H CYS 15 1.286 -2.729 2.579 93 HA CYS 15 HA CYS 15 -1.381 -2.559 1.931 94 HB2 CYS 15 1HB CYS 15 0.148 -5.132 2.370 95 HB3 CYS 15 2HB CYS 15 -1.280 -4.920 1.362 96 H GLY 16 H GLY 16 -3.244 -2.819 2.983 97 HA2 GLY 16 1HA GLY 16 -4.771 -3.573 4.545 98 HA3 GLY 16 2HA GLY 16 -3.544 -4.675 5.152 99 H GLU 17 H GLU 17 -3.294 -1.161 4.885 100 HA GLU 17 HA GLU 17 -2.854 -1.059 7.785 101 HB2 GLU 17 1HB GLU 17 -1.772 1.107 7.361 102 HB3 GLU 17 2HB GLU 17 -1.029 -0.186 6.429 103 HG2 GLU 17 1HG GLU 17 -1.164 1.410 4.824 104 HG3 GLU 17 2HG GLU 17 -2.727 0.629 4.588 105 H LYS 18 H LYS 18 -3.699 0.800 8.971 106 HA LYS 18 HA LYS 18 -6.131 1.954 7.794 107 HB2 LYS 18 1HB LYS 18 -5.924 0.774 10.572 108 HB3 LYS 18 2HB LYS 18 -7.328 1.604 9.914 109 HG2 LYS 18 1HG LYS 18 -6.262 -0.754 8.451 110 HG3 LYS 18 2HG LYS 18 -7.175 -1.016 9.939 111 HD2 LYS 18 1HD LYS 18 -8.958 0.490 8.928 112 HD3 LYS 18 2HD LYS 18 -8.084 0.326 7.404 113 HE2 LYS 18 1HE LYS 18 -8.248 -2.234 7.947 114 HE3 LYS 18 2HE LYS 18 -9.595 -1.721 8.962 115 HZ1 LYS 18 3HZ LYS 18 -10.730 -0.854 7.107 116 HZ2 LYS 18 1HZ LYS 18 -10.168 -2.375 6.621 117 HZ3 LYS 18 2HZ LYS 18 -9.373 -0.973 6.104 118 H ARG 19 H ARG 19 -3.538 3.124 8.106 119 HA ARG 19 HA ARG 19 -4.302 5.440 9.689 120 HB2 ARG 19 1HB ARG 19 -1.762 3.884 10.195 121 HB3 ARG 19 2HB ARG 19 -2.064 5.504 10.806 122 HG2 ARG 19 1HG ARG 19 -2.681 4.283 12.621 123 HG3 ARG 19 2HG ARG 19 -4.230 4.364 11.780 124 HD2 ARG 19 1HD ARG 19 -3.302 2.164 10.635 125 HD3 ARG 19 2HD ARG 19 -2.366 2.076 12.126 126 HE ARG 19 HE ARG 19 -5.201 2.509 12.481 127 HH11 ARG 19 1HH1 ARG 19 -2.620 0.186 12.242 128 HH12 ARG 19 2HH1 ARG 19 -3.490 -1.060 13.073 129 HH21 ARG 19 1HH2 ARG 19 -6.357 0.877 13.578 130 HH22 ARG 19 2HH2 ARG 19 -5.615 -0.667 13.832 131 H LEU 20 H LEU 20 -4.204 6.962 8.166 132 HA LEU 20 HA LEU 20 -1.672 7.371 6.774 133 HB2 LEU 20 1HB LEU 20 -2.552 7.419 4.626 134 HB3 LEU 20 2HB LEU 20 -3.311 6.007 5.360 135 HG LEU 20 HG LEU 20 -4.641 8.700 5.076 136 HD11 LEU 20 1HD1 LEU 20 -4.910 6.219 3.384 137 HD12 LEU 20 2HD1 LEU 20 -4.212 7.758 2.883 138 HD13 LEU 20 3HD1 LEU 20 -5.930 7.655 3.269 139 HD21 LEU 20 3HD2 LEU 20 -6.211 7.870 6.402 140 HD22 LEU 20 1HD2 LEU 20 -5.258 6.403 6.618 141 HD23 LEU 20 2HD2 LEU 20 -6.432 6.507 5.306 142 H THR 21 H THR 21 -1.108 9.453 6.743 143 HA THR 21 HA THR 21 -3.206 11.484 7.122 144 HB THR 21 HB THR 21 -2.084 11.195 9.262 145 HG1 THR 21 HG1 THR 21 -1.132 13.576 8.018 146 HG21 THR 21 3HG2 THR 21 0.027 10.265 8.519 147 HG22 THR 21 1HG2 THR 21 0.327 11.710 9.484 148 HG23 THR 21 2HG2 THR 21 0.449 11.783 7.726 149 H ARG 22 H ARG 22 0.086 10.799 6.021 150 HA ARG 22 HA ARG 22 -0.203 12.983 4.069 151 HB2 ARG 22 1HB ARG 22 2.311 12.245 5.578 152 HB3 ARG 22 2HB ARG 22 2.212 13.440 4.293 153 HG2 ARG 22 1HG ARG 22 0.584 13.651 6.804 154 HG3 ARG 22 2HG ARG 22 2.217 14.306 6.673 155 HD2 ARG 22 1HD ARG 22 1.593 15.887 5.094 156 HD3 ARG 22 2HD ARG 22 0.148 14.992 4.626 157 HE ARG 22 HE ARG 22 0.132 15.979 7.338 158 HH11 ARG 22 1HH1 ARG 22 -0.674 16.626 4.015 159 HH12 ARG 22 2HH1 ARG 22 -1.882 17.806 4.401 160 HH21 ARG 22 1HH2 ARG 22 -1.456 17.530 7.861 161 HH22 ARG 22 2HH2 ARG 22 -2.325 18.321 6.589 162 H SER 23 H SER 23 -0.933 11.281 2.642 163 HA SER 23 HA SER 23 1.282 10.078 1.216 164 HB2 SER 23 1HB SER 23 -0.826 8.447 2.617 165 HB3 SER 23 2HB SER 23 -0.002 7.835 1.183 166 HG SER 23 HG SER 23 0.993 7.252 3.218 167 H LEU 24 H LEU 24 0.944 10.298 -0.893 168 HA LEU 24 HA LEU 24 -1.326 11.499 -1.973 169 HB2 LEU 24 1HB LEU 24 0.875 9.880 -3.226 170 HB3 LEU 24 2HB LEU 24 -0.405 10.627 -4.179 171 HG LEU 24 HG LEU 24 1.311 12.268 -2.346 172 HD11 LEU 24 1HD1 LEU 24 2.453 10.754 -4.279 173 HD12 LEU 24 2HD1 LEU 24 3.064 12.320 -3.745 174 HD13 LEU 24 3HD1 LEU 24 2.052 12.214 -5.185 175 HD21 LEU 24 3HD2 LEU 24 -0.857 12.764 -4.109 176 HD22 LEU 24 1HD2 LEU 24 0.583 13.525 -4.785 177 HD23 LEU 24 2HD2 LEU 24 0.066 13.919 -3.146 178 H CYS 25 H CYS 25 -0.372 8.078 -1.954 179 HA CYS 25 HA CYS 25 -3.078 7.383 -2.874 180 HB2 CYS 25 1HB CYS 25 -2.196 5.324 -3.697 181 HB3 CYS 25 2HB CYS 25 -1.099 6.595 -4.229 182 H ALA 26 H ALA 26 -3.716 5.087 -2.030 183 HA ALA 26 HA ALA 26 -3.180 4.999 0.868 184 HB1 ALA 26 3HB ALA 26 -5.789 4.374 -0.511 185 HB2 ALA 26 1HB ALA 26 -5.477 4.281 1.223 186 HB3 ALA 26 2HB ALA 26 -5.431 5.841 0.401 187 H CYS 27 H CYS 27 -2.419 3.132 1.625 188 HA CYS 27 HA CYS 27 -2.415 0.807 -0.164 189 HB2 CYS 27 1HB CYS 27 -0.788 1.185 2.354 190 HB3 CYS 27 2HB CYS 27 -0.535 -0.005 1.080 191 H SER 28 H SER 28 -4.819 1.384 1.144 192 HA SER 28 HA SER 28 -4.969 -0.822 3.093 193 HB2 SER 28 1HB SER 28 -5.394 1.252 4.252 194 HB3 SER 28 2HB SER 28 -6.547 1.759 3.018 195 HG SER 28 HG SER 28 -7.994 0.315 3.752 196 H ASP 29 H ASP 29 -6.978 -2.014 3.128 197 HA ASP 29 HA ASP 29 -7.804 -2.937 0.659 198 HB2 ASP 29 1HB ASP 29 -9.097 -3.033 3.374 199 HB3 ASP 29 2HB ASP 29 -9.871 -3.764 1.970 200 H ASP 30 H ASP 30 -9.371 -0.521 2.734 201 HA ASP 30 HA ASP 30 -11.701 -0.030 1.438 202 HB2 ASP 30 1HB ASP 30 -11.066 1.211 3.422 203 HB3 ASP 30 2HB ASP 30 -9.773 2.022 2.542 204 H CYS 31 H CYS 31 -8.526 1.263 0.507 205 HA CYS 31 HA CYS 31 -9.148 2.924 -1.547 206 HB2 CYS 31 1HB CYS 31 -6.977 2.647 -2.335 207 HB3 CYS 31 2HB CYS 31 -6.837 2.118 -0.661 208 H LYS 32 H LYS 32 -9.158 -0.599 -1.625 209 HA LYS 32 HA LYS 32 -9.503 -0.967 -4.375 210 HB2 LYS 32 1HB LYS 32 -10.390 -2.617 -2.011 211 HB3 LYS 32 2HB LYS 32 -10.605 -3.146 -3.674 212 HG2 LYS 32 1HG LYS 32 -8.208 -3.097 -4.029 213 HG3 LYS 32 2HG LYS 32 -7.962 -2.487 -2.391 214 HD2 LYS 32 1HD LYS 32 -7.563 -4.749 -2.125 215 HD3 LYS 32 2HD LYS 32 -9.268 -4.626 -1.687 216 HE2 LYS 32 1HE LYS 32 -9.852 -5.259 -4.018 217 HE3 LYS 32 2HE LYS 32 -8.136 -5.502 -4.343 218 HZ1 LYS 32 3HZ LYS 32 -9.578 -6.933 -2.186 219 HZ2 LYS 32 1HZ LYS 32 -8.052 -7.285 -2.826 220 HZ3 LYS 32 2HZ LYS 32 -9.440 -7.546 -3.757 221 H ASP 33 H ASP 33 -11.956 -0.764 -1.800 222 HA ASP 33 HA ASP 33 -14.165 -0.882 -3.582 223 HB2 ASP 33 1HB ASP 33 -14.015 0.161 -0.744 224 HB3 ASP 33 2HB ASP 33 -15.501 -0.185 -1.625 225 H GLN 34 H GLN 34 -12.701 1.823 -1.780 226 HA GLN 34 HA GLN 34 -14.337 3.835 -2.848 227 HB2 GLN 34 1HB GLN 34 -11.660 3.792 -1.518 228 HB3 GLN 34 2HB GLN 34 -12.212 5.281 -2.272 229 HG2 GLN 34 1HG GLN 34 -14.042 3.871 -0.403 230 HG3 GLN 34 2HG GLN 34 -12.677 4.771 0.258 231 HE21 GLN 34 1HE2 GLN 34 -13.402 6.630 1.001 232 HE22 GLN 34 2HE2 GLN 34 -14.490 7.696 0.187 233 H GLY 35 H GLY 35 -10.936 3.134 -3.697 234 HA2 GLY 35 1HA GLY 35 -10.518 2.774 -6.135 235 HA3 GLY 35 2HA GLY 35 -11.530 4.187 -6.394 236 H ASP 36 H ASP 36 -8.971 3.641 -3.997 237 HA ASP 36 HA ASP 36 -7.360 5.710 -5.318 238 HB2 ASP 36 1HB ASP 36 -8.007 5.617 -2.363 239 HB3 ASP 36 2HB ASP 36 -6.851 6.715 -3.112 240 H CYS 37 H CYS 37 -6.943 2.973 -5.521 241 HA CYS 37 HA CYS 37 -4.926 2.195 -3.596 242 HB2 CYS 37 1HB CYS 37 -5.835 0.819 -6.133 243 HB3 CYS 37 2HB CYS 37 -4.793 0.118 -4.898 244 H CYS 38 H CYS 38 -2.799 2.465 -3.800 245 HA CYS 38 HA CYS 38 -1.569 4.159 -5.529 246 HB2 CYS 38 1HB CYS 38 -0.205 1.661 -4.524 247 HB3 CYS 38 2HB CYS 38 0.524 3.228 -4.859 248 H ILE 39 H ILE 39 -0.173 3.878 -7.365 249 HA ILE 39 HA ILE 39 -1.312 2.519 -9.493 250 HB ILE 39 HB ILE 39 0.275 4.360 -9.791 251 HG12 ILE 39 1HG1 ILE 39 1.818 3.022 -11.501 252 HG13 ILE 39 2HG1 ILE 39 0.676 1.732 -11.142 253 HG21 ILE 39 1HG2 ILE 39 1.840 3.769 -8.012 254 HG22 ILE 39 2HG2 ILE 39 2.377 2.372 -8.943 255 HG23 ILE 39 3HG2 ILE 39 2.676 4.001 -9.547 256 HD11 ILE 39 3HD1 ILE 39 -0.946 2.680 -12.342 257 HD12 ILE 39 1HD1 ILE 39 -0.577 4.300 -11.751 258 HD13 ILE 39 2HD1 ILE 39 0.362 3.608 -13.075 259 H ASN 40 H ASN 40 1.378 1.532 -7.404 260 HA ASN 40 HA ASN 40 1.300 -1.131 -8.651 261 HB2 ASN 40 1HB ASN 40 3.537 -1.427 -7.482 262 HB3 ASN 40 2HB ASN 40 3.503 -0.243 -8.786 263 HD21 ASN 40 1HD2 ASN 40 4.484 -0.810 -5.690 264 HD22 ASN 40 2HD2 ASN 40 4.705 0.820 -5.160 265 H TYR 41 H TYR 41 -0.734 -0.486 -6.872 266 HA TYR 41 HA TYR 41 -0.153 -1.333 -4.216 267 HB2 TYR 41 1HB TYR 41 -2.059 0.111 -4.663 268 HB3 TYR 41 2HB TYR 41 -2.785 -1.118 -5.693 269 HD1 TYR 41 HD2 TYR 41 -3.825 -3.100 -4.723 270 HD2 TYR 41 HD1 TYR 41 -2.129 -0.082 -2.250 271 HE1 TYR 41 HE2 TYR 41 -5.008 -4.036 -2.781 272 HE2 TYR 41 HE1 TYR 41 -3.306 -1.011 -0.300 273 HH TYR 41 HH TYR 41 -5.499 -3.782 -0.626 274 H SER 42 H SER 42 -1.635 -2.916 -7.025 275 HA SER 42 HA SER 42 -2.041 -5.404 -5.687 276 HB2 SER 42 1HB SER 42 -3.468 -4.979 -7.533 277 HB3 SER 42 2HB SER 42 -2.113 -4.575 -8.587 278 HG SER 42 HG SER 42 -2.468 -6.601 -9.164 279 H SER 43 H SER 43 0.478 -4.076 -7.757 280 HA SER 43 HA SER 43 1.917 -6.429 -8.238 281 HB2 SER 43 1HB SER 43 2.367 -4.378 -9.476 282 HB3 SER 43 2HB SER 43 2.917 -3.580 -8.003 283 HG SER 43 HG SER 43 4.801 -4.320 -8.560 284 H VAL 44 H VAL 44 2.036 -4.139 -5.555 285 HA VAL 44 HA VAL 44 4.178 -5.611 -4.256 286 HB VAL 44 HB VAL 44 2.609 -3.210 -3.303 287 HG11 VAL 44 1HG1 VAL 44 4.205 -4.988 -1.840 288 HG12 VAL 44 2HG1 VAL 44 5.192 -3.547 -2.093 289 HG13 VAL 44 3HG1 VAL 44 3.608 -3.410 -1.329 290 HG21 VAL 44 3HG2 VAL 44 3.862 -2.534 -5.183 291 HG22 VAL 44 1HG2 VAL 44 4.820 -2.054 -3.781 292 HG23 VAL 44 2HG2 VAL 44 5.259 -3.496 -4.698 293 H CYS 45 H CYS 45 0.809 -4.720 -3.511 294 HA CYS 45 HA CYS 45 0.670 -6.400 -1.210 295 HB2 CYS 45 1HB CYS 45 -1.580 -5.199 -2.837 296 HB3 CYS 45 2HB CYS 45 -1.718 -5.869 -1.215 297 H GLN 46 H GLN 46 -0.994 -6.621 -4.361 298 HA GLN 46 HA GLN 46 -1.698 -9.371 -3.896 299 HB2 GLN 46 1HB GLN 46 -2.110 -7.426 -6.139 300 HB3 GLN 46 2HB GLN 46 -2.402 -9.141 -6.401 301 HG2 GLN 46 1HG GLN 46 -3.665 -7.731 -4.091 302 HG3 GLN 46 2HG GLN 46 -4.358 -7.604 -5.707 303 HE21 GLN 46 1HE2 GLN 46 -6.182 -8.630 -4.544 304 HE22 GLN 46 2HE2 GLN 46 -6.222 -10.356 -4.468 305 H GLY 47 H GLY 47 0.989 -9.262 -3.659 306 HA2 GLY 47 1HA GLY 47 2.296 -9.868 -6.158 307 HA3 GLY 47 2HA GLY 47 3.012 -9.953 -4.555 308 H GLU 48 H GLU 48 3.932 -11.939 -4.616 309 HA GLU 48 HA GLU 48 2.109 -14.216 -5.027 310 HB2 GLU 48 1HB GLU 48 3.985 -13.757 -6.786 311 HB3 GLU 48 2HB GLU 48 5.049 -14.433 -5.562 312 HG2 GLU 48 1HG GLU 48 2.703 -15.794 -6.863 313 HG3 GLU 48 2HG GLU 48 4.411 -16.149 -7.115 314 H LYS 49 H LYS 49 1.690 -14.303 -2.788 315 HA LYS 49 HA LYS 49 3.938 -15.357 -1.202 316 HB2 LYS 49 1HB LYS 49 3.157 -13.023 -0.560 317 HB3 LYS 49 2HB LYS 49 1.647 -13.767 -0.051 318 HG2 LYS 49 1HG LYS 49 2.905 -15.172 1.534 319 HG3 LYS 49 2HG LYS 49 4.388 -14.343 1.055 320 HD2 LYS 49 1HD LYS 49 2.009 -12.813 2.053 321 HD3 LYS 49 2HD LYS 49 3.160 -13.542 3.176 322 HE2 LYS 49 1HE LYS 49 4.873 -12.143 2.535 323 HE3 LYS 49 2HE LYS 49 4.181 -11.852 0.939 324 HZ1 LYS 49 3HZ LYS 49 2.349 -10.644 2.207 325 HZ2 LYS 49 1HZ LYS 49 3.851 -9.874 2.086 326 HZ3 LYS 49 2HZ LYS 49 3.412 -10.648 3.524 327 H SER 50 H SER 50 3.489 -17.503 -1.358 328 HA SER 50 HA SER 50 1.324 -18.523 0.204 329 HB2 SER 50 1HB SER 50 0.071 -18.095 -1.844 330 HB3 SER 50 2HB SER 50 1.265 -18.985 -2.789 331 HG SER 50 HG SER 50 -0.873 -19.953 -1.635 332 H SER 51 H SER 51 2.213 -20.157 1.258 333 HA SER 51 HA SER 51 3.654 -21.835 1.827 334 HB2 SER 51 1HB SER 51 2.085 -23.050 0.360 335 HB3 SER 51 2HB SER 51 3.103 -22.675 -1.031 336 HG SER 51 HG SER 51 4.523 -24.131 -0.406 337 H GLY 52 H GLY 52 5.007 -19.527 1.129 338 HA2 GLY 52 1HA GLY 52 7.470 -20.679 0.008 339 HA3 GLY 52 2HA GLY 52 6.862 -19.163 -0.641 340 HA PRO 53 HA PRO 53 9.418 -18.715 3.422 341 HB2 PRO 53 1HB PRO 53 11.948 -18.548 2.451 342 HB3 PRO 53 2HB PRO 53 11.221 -20.069 2.985 343 HG2 PRO 53 1HG PRO 53 11.529 -18.986 0.210 344 HG3 PRO 53 2HG PRO 53 11.794 -20.636 0.804 345 HD2 PRO 53 1HD PRO 53 9.537 -19.903 -0.499 346 HD3 PRO 53 2HD PRO 53 9.547 -21.146 0.769 347 H SER 54 H SER 54 10.261 -17.401 0.218 348 HA SER 54 HA SER 54 9.723 -14.713 1.178 349 HB2 SER 54 1HB SER 54 12.074 -14.939 1.739 350 HB3 SER 54 2HB SER 54 12.439 -15.528 0.118 351 HG SER 54 HG SER 54 11.564 -12.937 0.866 352 H SER 55 H SER 55 8.818 -13.497 -0.366 353 HA SER 55 HA SER 55 8.398 -14.658 -2.973 354 HB2 SER 55 1HB SER 55 7.468 -12.010 -1.838 355 HB3 SER 55 2HB SER 55 6.917 -12.727 -3.351 356 HG SER 55 HG SER 55 6.197 -14.538 -2.047 357 H GLY 56 H GLY 56 11.054 -14.246 -2.762 358 HA2 GLY 56 1HA GLY 56 12.048 -11.751 -3.555 359 HA3 GLY 56 2HA GLY 56 12.839 -13.295 -3.842 Start of MODEL 2 1 H1 GLY 1 H GLY 1 14.715 19.977 8.241 2 HA2 GLY 1 1HA GLY 1 12.263 19.335 9.639 3 HA3 GLY 1 2HA GLY 1 12.030 19.900 7.992 4 H SER 2 H SER 2 11.478 17.273 9.213 5 HA SER 2 HA SER 2 13.409 15.406 8.276 6 HB2 SER 2 1HB SER 2 11.761 13.708 8.806 7 HB3 SER 2 2HB SER 2 11.759 14.923 10.084 8 HG SER 2 HG SER 2 9.973 15.064 7.903 9 H SER 3 H SER 3 13.725 14.616 6.302 10 HA SER 3 HA SER 3 12.590 15.642 4.011 11 HB2 SER 3 1HB SER 3 13.937 12.988 4.518 12 HB3 SER 3 2HB SER 3 13.437 13.499 2.906 13 HG SER 3 HG SER 3 15.091 14.788 2.828 14 H GLY 4 H GLY 4 11.010 14.951 2.556 15 HA2 GLY 4 1HA GLY 4 9.357 12.660 3.168 16 HA3 GLY 4 2HA GLY 4 8.569 14.206 3.451 17 H SER 5 H SER 5 10.210 12.274 0.980 18 HA SER 5 HA SER 5 9.261 13.937 -1.169 19 HB2 SER 5 1HB SER 5 10.275 12.222 -2.632 20 HB3 SER 5 2HB SER 5 11.397 12.762 -1.382 21 HG SER 5 HG SER 5 11.314 10.848 -0.455 22 H SER 6 H SER 6 7.492 13.674 -2.403 23 HA SER 6 HA SER 6 5.445 11.881 -1.506 24 HB2 SER 6 1HB SER 6 4.093 12.888 -3.317 25 HB3 SER 6 2HB SER 6 4.868 14.116 -2.316 26 HG SER 6 HG SER 6 5.980 13.171 -4.744 27 H GLY 7 H GLY 7 5.123 9.859 -2.145 28 HA2 GLY 7 1HA GLY 7 6.226 9.034 -4.761 29 HA3 GLY 7 2HA GLY 7 6.291 8.007 -3.336 30 H TRP 8 H TRP 8 5.242 6.760 -5.337 31 HA TRP 8 HA TRP 8 2.330 6.901 -4.906 32 HB2 TRP 8 1HB TRP 8 3.871 6.524 -7.460 33 HB3 TRP 8 2HB TRP 8 2.228 5.908 -7.300 34 HD1 TRP 8 HD1 TRP 8 4.185 9.208 -7.418 35 HE1 TRP 8 HE1 TRP 8 2.543 11.110 -7.971 36 HE3 TRP 8 HE3 TRP 8 -0.200 6.590 -7.175 37 HZ2 TRP 8 HZ2 TRP 8 -0.243 11.456 -8.264 38 HZ3 TRP 8 HZ3 TRP 8 -2.310 7.782 -7.606 39 HH2 TRP 8 HH2 TRP 8 -2.328 10.164 -8.138 40 H THR 9 H THR 9 5.038 4.813 -5.867 41 HA THR 9 HA THR 9 3.841 2.352 -5.878 42 HB THR 9 HB THR 9 6.001 1.387 -5.194 43 HG1 THR 9 HG1 THR 9 7.500 2.577 -4.228 44 HG21 THR 9 3HG2 THR 9 7.361 2.326 -6.994 45 HG22 THR 9 1HG2 THR 9 6.297 3.729 -7.080 46 HG23 THR 9 2HG2 THR 9 5.688 2.132 -7.512 47 H CYS 10 H CYS 10 3.975 0.596 -4.235 48 HA CYS 10 HA CYS 10 3.376 1.638 -1.543 49 HB2 CYS 10 1HB CYS 10 2.077 -0.572 -3.122 50 HB3 CYS 10 2HB CYS 10 1.946 -0.499 -1.367 51 H ASN 11 H ASN 11 4.095 0.455 0.238 52 HA ASN 11 HA ASN 11 6.249 -1.452 -0.374 53 HB2 ASN 11 1HB ASN 11 6.653 0.765 0.930 54 HB3 ASN 11 2HB ASN 11 5.916 -0.089 2.283 55 HD21 ASN 11 1HD2 ASN 11 7.332 -0.958 3.592 56 HD22 ASN 11 2HD2 ASN 11 8.872 -1.609 3.153 57 H LYS 12 H LYS 12 6.449 -3.370 0.810 58 HA LYS 12 HA LYS 12 4.305 -4.938 1.222 59 HB2 LYS 12 1HB LYS 12 6.950 -4.886 2.641 60 HB3 LYS 12 2HB LYS 12 5.736 -6.086 3.064 61 HG2 LYS 12 1HG LYS 12 5.718 -6.496 0.465 62 HG3 LYS 12 2HG LYS 12 7.334 -5.793 0.576 63 HD2 LYS 12 1HD LYS 12 7.626 -7.490 2.538 64 HD3 LYS 12 2HD LYS 12 6.277 -8.324 1.764 65 HE2 LYS 12 1HE LYS 12 8.780 -7.507 0.303 66 HE3 LYS 12 2HE LYS 12 8.576 -9.083 1.066 67 HZ1 LYS 12 3HZ LYS 12 6.466 -8.223 -0.749 68 HZ2 LYS 12 1HZ LYS 12 7.130 -9.762 -0.511 69 HZ3 LYS 12 2HZ LYS 12 7.950 -8.623 -1.455 70 H PHE 13 H PHE 13 5.800 -2.961 3.778 71 HA PHE 13 HA PHE 13 3.972 -3.611 5.802 72 HB2 PHE 13 1HB PHE 13 5.669 -1.143 5.398 73 HB3 PHE 13 2HB PHE 13 4.756 -1.472 6.868 74 HD1 PHE 13 HD2 PHE 13 5.197 -3.965 7.798 75 HD2 PHE 13 HD1 PHE 13 7.893 -1.663 5.443 76 HE1 PHE 13 HE2 PHE 13 7.081 -5.283 8.673 77 HE2 PHE 13 HE1 PHE 13 9.782 -2.977 6.313 78 HZ PHE 13 HZ PHE 13 9.377 -4.789 7.931 79 H ARG 14 H ARG 14 4.033 -0.856 3.556 80 HA ARG 14 HA ARG 14 1.909 0.613 4.405 81 HB2 ARG 14 1HB ARG 14 2.624 -0.078 1.550 82 HB3 ARG 14 2HB ARG 14 1.520 1.211 2.014 83 HG2 ARG 14 1HG ARG 14 4.381 1.084 2.930 84 HG3 ARG 14 2HG ARG 14 3.861 1.924 1.467 85 HD2 ARG 14 1HD ARG 14 3.858 3.629 3.023 86 HD3 ARG 14 2HD ARG 14 2.177 3.099 3.058 87 HE ARG 14 HE ARG 14 3.662 1.686 4.993 88 HH11 ARG 14 1HH1 ARG 14 2.373 4.854 4.345 89 HH12 ARG 14 2HH1 ARG 14 2.211 5.273 6.018 90 HH21 ARG 14 1HH2 ARG 14 3.454 2.227 7.199 91 HH22 ARG 14 2HH2 ARG 14 2.827 3.778 7.640 92 H CYS 15 H CYS 15 1.720 -2.212 2.247 93 HA CYS 15 HA CYS 15 -0.944 -2.325 1.712 94 HB2 CYS 15 1HB CYS 15 0.795 -4.683 2.473 95 HB3 CYS 15 2HB CYS 15 -0.719 -4.771 1.578 96 H GLY 16 H GLY 16 -2.406 -1.700 3.225 97 HA2 GLY 16 1HA GLY 16 -3.992 -2.667 4.795 98 HA3 GLY 16 2HA GLY 16 -2.633 -3.436 5.601 99 H GLU 17 H GLU 17 -3.366 -0.099 4.575 100 HA GLU 17 HA GLU 17 -2.637 0.774 7.291 101 HB2 GLU 17 1HB GLU 17 -1.934 2.866 6.373 102 HB3 GLU 17 2HB GLU 17 -1.205 1.595 5.402 103 HG2 GLU 17 1HG GLU 17 -2.549 2.029 3.579 104 HG3 GLU 17 2HG GLU 17 -3.792 2.814 4.552 105 H LYS 18 H LYS 18 -3.682 3.062 7.719 106 HA LYS 18 HA LYS 18 -6.521 2.611 7.759 107 HB2 LYS 18 1HB LYS 18 -4.683 4.693 8.886 108 HB3 LYS 18 2HB LYS 18 -6.416 4.990 8.846 109 HG2 LYS 18 1HG LYS 18 -6.073 4.105 10.956 110 HG3 LYS 18 2HG LYS 18 -6.619 2.711 10.021 111 HD2 LYS 18 1HD LYS 18 -4.549 1.722 10.034 112 HD3 LYS 18 2HD LYS 18 -3.696 3.261 10.178 113 HE2 LYS 18 1HE LYS 18 -4.832 3.349 12.523 114 HE3 LYS 18 2HE LYS 18 -5.010 1.609 12.296 115 HZ1 LYS 18 3HZ LYS 18 -2.571 1.547 11.865 116 HZ2 LYS 18 1HZ LYS 18 -2.987 1.983 13.446 117 HZ3 LYS 18 2HZ LYS 18 -2.487 3.167 12.346 118 H ARG 19 H ARG 19 -7.985 4.565 7.274 119 HA ARG 19 HA ARG 19 -7.738 5.143 4.492 120 HB2 ARG 19 1HB ARG 19 -9.898 4.800 5.784 121 HB3 ARG 19 2HB ARG 19 -9.670 6.422 6.423 122 HG2 ARG 19 1HG ARG 19 -9.656 5.964 3.473 123 HG3 ARG 19 2HG ARG 19 -11.182 6.054 4.355 124 HD2 ARG 19 1HD ARG 19 -9.024 8.161 4.399 125 HD3 ARG 19 2HD ARG 19 -10.483 8.227 3.410 126 HE ARG 19 HE ARG 19 -10.279 8.695 6.258 127 HH11 ARG 19 1HH1 ARG 19 -12.368 8.011 3.558 128 HH12 ARG 19 2HH1 ARG 19 -13.792 8.614 4.339 129 HH21 ARG 19 1HH2 ARG 19 -12.147 9.493 7.297 130 HH22 ARG 19 2HH2 ARG 19 -13.665 9.458 6.466 131 H LEU 20 H LEU 20 -5.944 6.396 4.105 132 HA LEU 20 HA LEU 20 -5.173 8.653 5.589 133 HB2 LEU 20 1HB LEU 20 -4.543 7.557 2.904 134 HB3 LEU 20 2HB LEU 20 -4.114 9.237 3.222 135 HG LEU 20 HG LEU 20 -3.196 6.924 4.923 136 HD11 LEU 20 1HD1 LEU 20 -1.365 8.340 3.065 137 HD12 LEU 20 2HD1 LEU 20 -2.447 7.120 2.394 138 HD13 LEU 20 3HD1 LEU 20 -1.311 6.684 3.670 139 HD21 LEU 20 3HD2 LEU 20 -1.890 8.427 6.064 140 HD22 LEU 20 1HD2 LEU 20 -3.305 9.419 5.720 141 HD23 LEU 20 2HD2 LEU 20 -1.855 9.579 4.729 142 H THR 21 H THR 21 -5.261 10.899 4.983 143 HA THR 21 HA THR 21 -7.770 11.571 3.595 144 HB THR 21 HB THR 21 -7.601 13.757 4.849 145 HG1 THR 21 HG1 THR 21 -6.196 13.765 6.652 146 HG21 THR 21 3HG2 THR 21 -7.844 11.194 6.426 147 HG22 THR 21 1HG2 THR 21 -9.140 12.061 5.603 148 HG23 THR 21 2HG2 THR 21 -8.354 12.778 7.010 149 H ARG 22 H ARG 22 -4.450 12.750 4.109 150 HA ARG 22 HA ARG 22 -4.655 14.211 1.562 151 HB2 ARG 22 1HB ARG 22 -2.871 14.645 3.958 152 HB3 ARG 22 2HB ARG 22 -2.648 15.475 2.423 153 HG2 ARG 22 1HG ARG 22 -5.235 15.592 3.940 154 HG3 ARG 22 2HG ARG 22 -3.908 16.715 4.242 155 HD2 ARG 22 1HD ARG 22 -3.955 17.363 1.863 156 HD3 ARG 22 2HD ARG 22 -5.332 16.289 1.618 157 HE ARG 22 HE ARG 22 -5.345 18.881 2.897 158 HH11 ARG 22 1HH1 ARG 22 -7.018 15.865 2.425 159 HH12 ARG 22 2HH1 ARG 22 -8.571 16.511 2.838 160 HH21 ARG 22 1HH2 ARG 22 -7.384 19.745 3.444 161 HH22 ARG 22 2HH2 ARG 22 -8.778 18.719 3.417 162 H SER 23 H SER 23 -4.198 12.362 0.290 163 HA SER 23 HA SER 23 -1.393 11.925 -0.122 164 HB2 SER 23 1HB SER 23 -2.290 10.293 1.765 165 HB3 SER 23 2HB SER 23 -2.881 9.381 0.376 166 HG SER 23 HG SER 23 -0.575 9.100 1.294 167 H LEU 24 H LEU 24 -0.941 11.126 -2.157 168 HA LEU 24 HA LEU 24 -2.808 11.535 -4.177 169 HB2 LEU 24 1HB LEU 24 -0.361 9.778 -4.276 170 HB3 LEU 24 2HB LEU 24 -1.217 10.444 -5.664 171 HG LEU 24 HG LEU 24 0.173 12.127 -3.586 172 HD11 LEU 24 1HD1 LEU 24 1.556 10.484 -5.114 173 HD12 LEU 24 2HD1 LEU 24 2.096 12.137 -4.815 174 HD13 LEU 24 3HD1 LEU 24 1.269 11.738 -6.321 175 HD21 LEU 24 3HD2 LEU 24 -1.304 12.661 -6.112 176 HD22 LEU 24 1HD2 LEU 24 0.078 13.680 -5.712 177 HD23 LEU 24 2HD2 LEU 24 -1.285 13.567 -4.598 178 H CYS 25 H CYS 25 -1.765 8.510 -2.647 179 HA CYS 25 HA CYS 25 -4.270 7.273 -3.495 180 HB2 CYS 25 1HB CYS 25 -3.043 5.208 -4.200 181 HB3 CYS 25 2HB CYS 25 -2.776 6.593 -5.254 182 H ALA 26 H ALA 26 -4.279 4.906 -2.521 183 HA ALA 26 HA ALA 26 -3.161 5.023 0.201 184 HB1 ALA 26 3HB ALA 26 -5.730 5.512 -0.170 185 HB2 ALA 26 1HB ALA 26 -5.816 3.751 -0.207 186 HB3 ALA 26 2HB ALA 26 -5.159 4.572 1.209 187 H CYS 27 H CYS 27 -2.181 3.216 0.888 188 HA CYS 27 HA CYS 27 -2.171 0.912 -0.915 189 HB2 CYS 27 1HB CYS 27 -0.366 1.581 1.420 190 HB3 CYS 27 2HB CYS 27 -0.173 0.201 0.342 191 H SER 28 H SER 28 -4.511 1.194 0.533 192 HA SER 28 HA SER 28 -4.315 -1.067 2.411 193 HB2 SER 28 1HB SER 28 -6.201 -0.030 3.684 194 HB3 SER 28 2HB SER 28 -4.721 0.929 3.721 195 HG SER 28 HG SER 28 -6.733 1.395 1.795 196 H ASP 29 H ASP 29 -6.382 -2.252 2.679 197 HA ASP 29 HA ASP 29 -7.378 -3.145 0.232 198 HB2 ASP 29 1HB ASP 29 -8.921 -4.468 1.485 199 HB3 ASP 29 2HB ASP 29 -7.441 -4.374 2.435 200 H ASP 30 H ASP 30 -8.770 -0.864 2.561 201 HA ASP 30 HA ASP 30 -11.259 -0.430 1.573 202 HB2 ASP 30 1HB ASP 30 -10.063 0.763 3.500 203 HB3 ASP 30 2HB ASP 30 -9.469 1.889 2.282 204 H CYS 31 H CYS 31 -8.259 0.973 0.302 205 HA CYS 31 HA CYS 31 -9.133 2.706 -1.583 206 HB2 CYS 31 1HB CYS 31 -7.098 2.444 -2.680 207 HB3 CYS 31 2HB CYS 31 -6.733 1.841 -1.066 208 H LYS 32 H LYS 32 -9.199 -0.811 -1.813 209 HA LYS 32 HA LYS 32 -9.880 -1.120 -4.482 210 HB2 LYS 32 1HB LYS 32 -10.541 -2.715 -2.020 211 HB3 LYS 32 2HB LYS 32 -11.153 -3.198 -3.597 212 HG2 LYS 32 1HG LYS 32 -8.898 -3.410 -4.446 213 HG3 LYS 32 2HG LYS 32 -8.243 -2.830 -2.913 214 HD2 LYS 32 1HD LYS 32 -8.823 -4.778 -1.784 215 HD3 LYS 32 2HD LYS 32 -10.032 -5.231 -2.987 216 HE2 LYS 32 1HE LYS 32 -8.455 -6.055 -4.452 217 HE3 LYS 32 2HE LYS 32 -7.164 -5.053 -3.792 218 HZ1 LYS 32 3HZ LYS 32 -6.559 -6.711 -2.478 219 HZ2 LYS 32 1HZ LYS 32 -7.730 -7.703 -3.191 220 HZ3 LYS 32 2HZ LYS 32 -8.108 -6.814 -1.803 221 H ASP 33 H ASP 33 -12.024 -0.629 -1.691 222 HA ASP 33 HA ASP 33 -14.440 -0.714 -3.149 223 HB2 ASP 33 1HB ASP 33 -13.638 0.310 -0.451 224 HB3 ASP 33 2HB ASP 33 -15.231 0.712 -1.084 225 H GLN 34 H GLN 34 -12.812 2.133 -1.738 226 HA GLN 34 HA GLN 34 -14.359 4.055 -3.030 227 HB2 GLN 34 1HB GLN 34 -11.639 4.058 -1.790 228 HB3 GLN 34 2HB GLN 34 -12.152 5.462 -2.718 229 HG2 GLN 34 1HG GLN 34 -14.248 5.421 -1.239 230 HG3 GLN 34 2HG GLN 34 -13.314 4.351 -0.195 231 HE21 GLN 34 1HE2 GLN 34 -14.013 7.535 -0.996 232 HE22 GLN 34 2HE2 GLN 34 -12.771 8.309 -0.078 233 H GLY 35 H GLY 35 -11.028 3.091 -3.900 234 HA2 GLY 35 1HA GLY 35 -10.635 2.429 -6.247 235 HA3 GLY 35 2HA GLY 35 -11.712 3.741 -6.702 236 H ASP 36 H ASP 36 -9.082 3.706 -4.322 237 HA ASP 36 HA ASP 36 -7.621 5.626 -6.003 238 HB2 ASP 36 1HB ASP 36 -7.918 5.877 -3.005 239 HB3 ASP 36 2HB ASP 36 -7.119 7.010 -4.091 240 H CYS 37 H CYS 37 -7.085 2.905 -5.908 241 HA CYS 37 HA CYS 37 -4.977 2.387 -4.014 242 HB2 CYS 37 1HB CYS 37 -5.678 0.782 -6.475 243 HB3 CYS 37 2HB CYS 37 -4.800 0.230 -5.052 244 H CYS 38 H CYS 38 -2.807 2.441 -4.342 245 HA CYS 38 HA CYS 38 -1.744 4.173 -6.265 246 HB2 CYS 38 1HB CYS 38 -0.318 2.024 -4.683 247 HB3 CYS 38 2HB CYS 38 0.457 3.370 -5.512 248 H ILE 39 H ILE 39 -0.307 3.744 -8.028 249 HA ILE 39 HA ILE 39 -1.262 1.894 -9.878 250 HB ILE 39 HB ILE 39 0.004 3.855 -10.565 251 HG12 ILE 39 1HG1 ILE 39 1.787 2.521 -12.005 252 HG13 ILE 39 2HG1 ILE 39 0.921 1.129 -11.366 253 HG21 ILE 39 1HG2 ILE 39 1.618 4.079 -8.842 254 HG22 ILE 39 2HG2 ILE 39 2.295 2.486 -9.177 255 HG23 ILE 39 3HG2 ILE 39 2.513 3.798 -10.335 256 HD11 ILE 39 3HD1 ILE 39 0.200 2.918 -13.491 257 HD12 ILE 39 1HD1 ILE 39 -0.519 1.377 -13.023 258 HD13 ILE 39 2HD1 ILE 39 -1.058 2.871 -12.257 259 H ASN 40 H ASN 40 1.319 1.631 -7.513 260 HA ASN 40 HA ASN 40 1.830 -1.125 -8.411 261 HB2 ASN 40 1HB ASN 40 3.693 0.743 -8.166 262 HB3 ASN 40 2HB ASN 40 3.634 0.259 -6.474 263 HD21 ASN 40 1HD2 ASN 40 5.374 -0.931 -6.137 264 HD22 ASN 40 2HD2 ASN 40 5.879 -2.275 -7.100 265 H TYR 41 H TYR 41 -0.463 -0.559 -6.891 266 HA TYR 41 HA TYR 41 0.067 -1.167 -4.125 267 HB2 TYR 41 1HB TYR 41 -1.820 0.198 -4.443 268 HB3 TYR 41 2HB TYR 41 -2.435 -0.802 -5.754 269 HD1 TYR 41 HD1 TYR 41 -1.768 -0.870 -2.089 270 HD2 TYR 41 HD2 TYR 41 -4.065 -2.411 -5.322 271 HE1 TYR 41 HE1 TYR 41 -3.200 -2.072 -0.491 272 HE2 TYR 41 HE2 TYR 41 -5.504 -3.616 -3.733 273 HH TYR 41 HH TYR 41 -4.963 -3.389 -0.228 274 H SER 42 H SER 42 -1.672 -2.853 -6.744 275 HA SER 42 HA SER 42 -1.887 -5.294 -5.305 276 HB2 SER 42 1HB SER 42 -2.572 -6.245 -7.514 277 HB3 SER 42 2HB SER 42 -3.473 -4.796 -7.065 278 HG SER 42 HG SER 42 -2.806 -3.977 -8.868 279 H SER 43 H SER 43 0.332 -4.115 -7.795 280 HA SER 43 HA SER 43 1.736 -6.414 -8.366 281 HB2 SER 43 1HB SER 43 2.130 -4.323 -9.557 282 HB3 SER 43 2HB SER 43 2.815 -3.597 -8.104 283 HG SER 43 HG SER 43 4.539 -5.001 -8.234 284 H VAL 44 H VAL 44 2.177 -4.195 -5.647 285 HA VAL 44 HA VAL 44 4.345 -5.796 -4.566 286 HB VAL 44 HB VAL 44 2.978 -3.353 -3.426 287 HG11 VAL 44 1HG1 VAL 44 5.218 -5.072 -2.473 288 HG12 VAL 44 2HG1 VAL 44 5.279 -3.337 -2.158 289 HG13 VAL 44 3HG1 VAL 44 3.924 -4.295 -1.561 290 HG21 VAL 44 3HG2 VAL 44 5.234 -2.316 -4.077 291 HG22 VAL 44 1HG2 VAL 44 5.428 -3.726 -5.118 292 HG23 VAL 44 2HG2 VAL 44 4.069 -2.629 -5.365 293 H CYS 45 H CYS 45 1.099 -4.768 -3.509 294 HA CYS 45 HA CYS 45 1.052 -6.413 -1.207 295 HB2 CYS 45 1HB CYS 45 -1.267 -5.268 -2.777 296 HB3 CYS 45 2HB CYS 45 -1.350 -5.909 -1.139 297 H GLN 46 H GLN 46 -0.819 -6.750 -4.229 298 HA GLN 46 HA GLN 46 -1.196 -9.583 -3.654 299 HB2 GLN 46 1HB GLN 46 -2.341 -7.783 -5.793 300 HB3 GLN 46 2HB GLN 46 -2.696 -9.501 -5.664 301 HG2 GLN 46 1HG GLN 46 -3.605 -9.098 -3.401 302 HG3 GLN 46 2HG GLN 46 -3.342 -7.371 -3.638 303 HE21 GLN 46 1HE2 GLN 46 -5.092 -6.317 -4.196 304 HE22 GLN 46 2HE2 GLN 46 -6.404 -6.931 -5.137 305 H GLY 47 H GLY 47 1.041 -10.164 -3.990 306 HA2 GLY 47 1HA GLY 47 1.654 -11.502 -6.240 307 HA3 GLY 47 2HA GLY 47 2.147 -9.866 -6.654 308 H GLU 48 H GLU 48 2.821 -12.665 -4.705 309 HA GLU 48 HA GLU 48 5.155 -11.396 -3.501 310 HB2 GLU 48 1HB GLU 48 3.820 -12.769 -2.027 311 HB3 GLU 48 2HB GLU 48 3.929 -14.132 -3.132 312 HG2 GLU 48 1HG GLU 48 5.420 -14.537 -1.334 313 HG3 GLU 48 2HG GLU 48 6.390 -14.154 -2.754 314 H LYS 49 H LYS 49 7.217 -11.791 -4.079 315 HA LYS 49 HA LYS 49 7.637 -13.535 -6.406 316 HB2 LYS 49 1HB LYS 49 8.258 -11.036 -6.418 317 HB3 LYS 49 2HB LYS 49 9.596 -11.496 -5.372 318 HG2 LYS 49 1HG LYS 49 9.229 -12.995 -7.908 319 HG3 LYS 49 2HG LYS 49 9.859 -11.349 -7.992 320 HD2 LYS 49 1HD LYS 49 11.767 -11.885 -6.775 321 HD3 LYS 49 2HD LYS 49 11.033 -13.329 -6.074 322 HE2 LYS 49 1HE LYS 49 11.233 -14.528 -8.102 323 HE3 LYS 49 2HE LYS 49 11.606 -13.067 -9.015 324 HZ1 LYS 49 3HZ LYS 49 13.537 -14.559 -8.476 325 HZ2 LYS 49 1HZ LYS 49 13.361 -14.090 -6.859 326 HZ3 LYS 49 2HZ LYS 49 13.727 -12.935 -8.040 327 H SER 50 H SER 50 7.916 -15.521 -5.440 328 HA SER 50 HA SER 50 10.311 -15.777 -3.743 329 HB2 SER 50 1HB SER 50 8.444 -16.194 -2.304 330 HB3 SER 50 2HB SER 50 7.668 -17.224 -3.507 331 HG SER 50 HG SER 50 8.715 -18.817 -2.651 332 H SER 51 H SER 51 11.604 -16.259 -5.537 333 HA SER 51 HA SER 51 10.983 -18.798 -6.895 334 HB2 SER 51 1HB SER 51 12.316 -16.288 -7.802 335 HB3 SER 51 2HB SER 51 12.875 -17.813 -8.488 336 HG SER 51 HG SER 51 10.510 -18.179 -8.862 337 H GLY 52 H GLY 52 11.874 -20.107 -5.260 338 HA2 GLY 52 1HA GLY 52 14.636 -20.674 -5.567 339 HA3 GLY 52 2HA GLY 52 14.363 -19.817 -4.057 340 HA PRO 53 HA PRO 53 13.217 -24.499 -3.934 341 HB2 PRO 53 1HB PRO 53 15.610 -25.628 -3.324 342 HB3 PRO 53 2HB PRO 53 15.028 -25.448 -4.983 343 HG2 PRO 53 1HG PRO 53 16.967 -23.748 -3.463 344 HG3 PRO 53 2HG PRO 53 17.054 -24.317 -5.141 345 HD2 PRO 53 1HD PRO 53 16.261 -21.811 -4.490 346 HD3 PRO 53 2HD PRO 53 15.622 -22.678 -5.902 347 H SER 54 H SER 54 15.889 -23.057 -2.052 348 HA SER 54 HA SER 54 14.834 -24.195 0.398 349 HB2 SER 54 1HB SER 54 16.837 -23.294 1.454 350 HB3 SER 54 2HB SER 54 17.279 -24.141 -0.028 351 HG SER 54 HG SER 54 18.021 -22.339 -0.799 352 H SER 55 H SER 55 14.745 -22.719 2.359 353 HA SER 55 HA SER 55 13.536 -20.133 1.633 354 HB2 SER 55 1HB SER 55 12.499 -22.315 3.386 355 HB3 SER 55 2HB SER 55 12.156 -20.647 3.844 356 HG SER 55 HG SER 55 10.874 -22.086 2.082 357 H GLY 56 H GLY 56 13.251 -18.784 3.778 358 HA2 GLY 56 1HA GLY 56 15.084 -19.121 5.888 359 HA3 GLY 56 2HA GLY 56 15.820 -18.100 4.661 Start of MODEL 3 1 H1 GLY 1 H GLY 1 17.654 12.957 2.125 2 HA2 GLY 1 1HA GLY 1 15.166 12.169 2.768 3 HA3 GLY 1 2HA GLY 1 15.485 13.103 1.314 4 H SER 2 H SER 2 14.319 10.191 2.552 5 HA SER 2 HA SER 2 14.806 8.548 0.254 6 HB2 SER 2 1HB SER 2 14.515 7.401 2.320 7 HB3 SER 2 2HB SER 2 13.008 8.249 2.661 8 HG SER 2 HG SER 2 12.722 6.082 1.871 9 H SER 3 H SER 3 14.029 9.946 -1.424 10 HA SER 3 HA SER 3 12.482 10.828 -2.857 11 HB2 SER 3 1HB SER 3 11.043 8.313 -1.981 12 HB3 SER 3 2HB SER 3 10.597 9.284 -3.384 13 HG SER 3 HG SER 3 13.179 8.172 -3.030 14 H GLY 4 H GLY 4 12.355 12.128 -0.463 15 HA2 GLY 4 1HA GLY 4 11.004 13.531 0.752 16 HA3 GLY 4 2HA GLY 4 9.825 13.333 -0.537 17 H SER 5 H SER 5 8.224 13.478 1.165 18 HA SER 5 HA SER 5 8.040 11.112 2.886 19 HB2 SER 5 1HB SER 5 6.028 12.532 3.809 20 HB3 SER 5 2HB SER 5 7.682 12.956 4.248 21 HG SER 5 HG SER 5 6.356 14.098 2.025 22 H SER 6 H SER 6 6.754 12.459 0.032 23 HA SER 6 HA SER 6 4.402 10.699 0.148 24 HB2 SER 6 1HB SER 6 3.373 12.085 -1.492 25 HB3 SER 6 2HB SER 6 4.115 13.183 -0.330 26 HG SER 6 HG SER 6 5.193 13.972 -1.936 27 H GLY 7 H GLY 7 3.767 9.778 -2.049 28 HA2 GLY 7 1HA GLY 7 5.598 9.370 -4.114 29 HA3 GLY 7 2HA GLY 7 5.842 8.080 -2.947 30 H TRP 8 H TRP 8 4.886 7.920 -5.700 31 HA TRP 8 HA TRP 8 2.093 7.120 -5.369 32 HB2 TRP 8 1HB TRP 8 3.855 7.544 -7.774 33 HB3 TRP 8 2HB TRP 8 2.302 6.723 -7.903 34 HD1 TRP 8 HD1 TRP 8 3.823 10.171 -7.258 35 HE1 TRP 8 HE1 TRP 8 1.977 11.946 -7.503 36 HE3 TRP 8 HE3 TRP 8 -0.222 7.076 -7.702 37 HZ2 TRP 8 HZ2 TRP 8 -0.824 12.024 -7.840 38 HZ3 TRP 8 HZ3 TRP 8 -2.450 8.081 -7.983 39 HH2 TRP 8 HH2 TRP 8 -2.743 10.505 -8.050 40 H THR 9 H THR 9 3.939 5.541 -3.999 41 HA THR 9 HA THR 9 3.616 2.997 -5.431 42 HB THR 9 HB THR 9 5.809 2.218 -4.636 43 HG1 THR 9 HG1 THR 9 5.757 4.035 -2.927 44 HG21 THR 9 3HG2 THR 9 5.577 3.245 -6.881 45 HG22 THR 9 1HG2 THR 9 7.187 3.457 -6.194 46 HG23 THR 9 2HG2 THR 9 6.042 4.799 -6.189 47 H CYS 10 H CYS 10 4.071 1.112 -3.863 48 HA CYS 10 HA CYS 10 2.997 1.776 -1.200 49 HB2 CYS 10 1HB CYS 10 2.133 -0.311 -3.161 50 HB3 CYS 10 2HB CYS 10 1.994 -0.652 -1.439 51 H ASN 11 H ASN 11 3.544 0.262 0.497 52 HA ASN 11 HA ASN 11 5.988 -1.281 -0.064 53 HB2 ASN 11 1HB ASN 11 5.439 0.746 2.052 54 HB3 ASN 11 2HB ASN 11 6.439 -0.638 2.480 55 HD21 ASN 11 1HD2 ASN 11 7.007 2.273 2.129 56 HD22 ASN 11 2HD2 ASN 11 8.346 2.329 1.037 57 H LYS 12 H LYS 12 6.359 -3.114 1.289 58 HA LYS 12 HA LYS 12 4.275 -4.834 1.640 59 HB2 LYS 12 1HB LYS 12 6.983 -4.632 2.858 60 HB3 LYS 12 2HB LYS 12 5.853 -5.769 3.580 61 HG2 LYS 12 1HG LYS 12 7.045 -7.033 2.028 62 HG3 LYS 12 2HG LYS 12 5.520 -6.672 1.216 63 HD2 LYS 12 1HD LYS 12 6.779 -4.642 0.239 64 HD3 LYS 12 2HD LYS 12 8.239 -5.501 0.735 65 HE2 LYS 12 1HE LYS 12 7.685 -7.374 -0.649 66 HE3 LYS 12 2HE LYS 12 6.093 -6.705 -1.005 67 HZ1 LYS 12 3HZ LYS 12 8.723 -5.673 -1.903 68 HZ2 LYS 12 1HZ LYS 12 7.282 -4.800 -2.065 69 HZ3 LYS 12 2HZ LYS 12 7.468 -6.280 -2.863 70 H PHE 13 H PHE 13 5.749 -2.911 4.259 71 HA PHE 13 HA PHE 13 3.983 -3.613 6.280 72 HB2 PHE 13 1HB PHE 13 6.166 -2.179 6.331 73 HB3 PHE 13 2HB PHE 13 5.066 -0.822 6.106 74 HD1 PHE 13 HD1 PHE 13 5.920 -3.635 8.339 75 HD2 PHE 13 HD2 PHE 13 3.781 0.017 7.891 76 HE1 PHE 13 HE1 PHE 13 5.474 -3.603 10.759 77 HE2 PHE 13 HE2 PHE 13 3.332 0.055 10.310 78 HZ PHE 13 HZ PHE 13 4.179 -1.756 11.748 79 H ARG 14 H ARG 14 3.790 -0.886 4.011 80 HA ARG 14 HA ARG 14 1.544 0.389 4.933 81 HB2 ARG 14 1HB ARG 14 2.207 -0.111 2.025 82 HB3 ARG 14 2HB ARG 14 1.183 1.173 2.653 83 HG2 ARG 14 1HG ARG 14 4.025 0.943 3.544 84 HG3 ARG 14 2HG ARG 14 3.626 1.697 1.998 85 HD2 ARG 14 1HD ARG 14 2.254 2.529 4.531 86 HD3 ARG 14 2HD ARG 14 3.827 3.191 4.089 87 HE ARG 14 HE ARG 14 1.792 3.367 2.041 88 HH11 ARG 14 1HH1 ARG 14 3.371 4.924 4.724 89 HH12 ARG 14 2HH1 ARG 14 2.913 6.522 4.235 90 HH21 ARG 14 1HH2 ARG 14 1.182 5.465 1.387 91 HH22 ARG 14 2HH2 ARG 14 1.667 6.828 2.338 92 H CYS 15 H CYS 15 1.608 -2.279 2.568 93 HA CYS 15 HA CYS 15 -1.021 -2.618 2.022 94 HB2 CYS 15 1HB CYS 15 0.894 -4.868 2.675 95 HB3 CYS 15 2HB CYS 15 -0.580 -5.007 1.722 96 H GLY 16 H GLY 16 -2.674 -2.439 3.400 97 HA2 GLY 16 1HA GLY 16 -4.152 -3.422 4.958 98 HA3 GLY 16 2HA GLY 16 -2.803 -4.322 5.635 99 H GLU 17 H GLU 17 -3.037 -0.840 5.030 100 HA GLU 17 HA GLU 17 -2.704 -0.419 7.928 101 HB2 GLU 17 1HB GLU 17 -1.467 1.592 7.434 102 HB3 GLU 17 2HB GLU 17 -0.752 0.254 6.546 103 HG2 GLU 17 1HG GLU 17 -1.544 1.017 4.504 104 HG3 GLU 17 2HG GLU 17 -2.775 2.033 5.251 105 H LYS 18 H LYS 18 -3.431 1.871 8.580 106 HA LYS 18 HA LYS 18 -6.212 2.077 8.022 107 HB2 LYS 18 1HB LYS 18 -4.384 4.000 9.472 108 HB3 LYS 18 2HB LYS 18 -6.141 4.052 9.494 109 HG2 LYS 18 1HG LYS 18 -4.780 1.549 10.348 110 HG3 LYS 18 2HG LYS 18 -4.784 2.934 11.441 111 HD2 LYS 18 1HD LYS 18 -7.287 1.853 10.166 112 HD3 LYS 18 2HD LYS 18 -6.682 1.280 11.721 113 HE2 LYS 18 1HE LYS 18 -7.399 4.134 11.054 114 HE3 LYS 18 2HE LYS 18 -8.398 3.015 11.981 115 HZ1 LYS 18 3HZ LYS 18 -6.450 4.704 12.958 116 HZ2 LYS 18 1HZ LYS 18 -5.781 3.153 13.063 117 HZ3 LYS 18 2HZ LYS 18 -7.263 3.488 13.809 118 H ARG 19 H ARG 19 -7.136 4.368 7.549 119 HA ARG 19 HA ARG 19 -6.340 5.043 4.898 120 HB2 ARG 19 1HB ARG 19 -8.255 6.471 6.753 121 HB3 ARG 19 2HB ARG 19 -8.114 6.736 5.020 122 HG2 ARG 19 1HG ARG 19 -8.883 4.494 4.571 123 HG3 ARG 19 2HG ARG 19 -8.918 4.132 6.298 124 HD2 ARG 19 1HD ARG 19 -10.591 6.208 4.887 125 HD3 ARG 19 2HD ARG 19 -11.153 4.631 5.439 126 HE ARG 19 HE ARG 19 -11.204 5.427 7.604 127 HH11 ARG 19 1HH1 ARG 19 -9.652 7.736 5.511 128 HH12 ARG 19 2HH1 ARG 19 -9.665 9.006 6.689 129 HH21 ARG 19 1HH2 ARG 19 -11.226 7.092 9.163 130 HH22 ARG 19 2HH2 ARG 19 -10.559 8.639 8.765 131 H LEU 20 H LEU 20 -6.131 7.477 4.332 132 HA LEU 20 HA LEU 20 -4.546 8.951 6.287 133 HB2 LEU 20 1HB LEU 20 -3.521 8.339 3.520 134 HB3 LEU 20 2HB LEU 20 -2.718 9.326 4.739 135 HG LEU 20 HG LEU 20 -3.286 6.390 5.106 136 HD11 LEU 20 1HD1 LEU 20 -1.314 7.682 3.440 137 HD12 LEU 20 2HD1 LEU 20 -1.694 5.970 3.615 138 HD13 LEU 20 3HD1 LEU 20 -0.556 6.737 4.721 139 HD21 LEU 20 3HD2 LEU 20 -1.018 7.585 6.474 140 HD22 LEU 20 1HD2 LEU 20 -2.340 6.608 7.113 141 HD23 LEU 20 2HD2 LEU 20 -2.548 8.348 6.906 142 H THR 21 H THR 21 -4.628 11.150 6.041 143 HA THR 21 HA THR 21 -6.672 12.147 4.247 144 HB THR 21 HB THR 21 -6.194 14.351 5.397 145 HG1 THR 21 HG1 THR 21 -5.027 13.801 7.525 146 HG21 THR 21 3HG2 THR 21 -7.398 13.769 7.376 147 HG22 THR 21 1HG2 THR 21 -6.849 12.096 7.291 148 HG23 THR 21 2HG2 THR 21 -7.976 12.716 6.085 149 H ARG 22 H ARG 22 -3.253 12.904 4.915 150 HA ARG 22 HA ARG 22 -3.104 14.313 2.350 151 HB2 ARG 22 1HB ARG 22 -2.251 15.568 4.225 152 HB3 ARG 22 2HB ARG 22 -1.222 14.227 4.711 153 HG2 ARG 22 1HG ARG 22 0.304 15.557 3.664 154 HG3 ARG 22 2HG ARG 22 -0.212 14.551 2.309 155 HD2 ARG 22 1HD ARG 22 -0.139 16.885 1.649 156 HD3 ARG 22 2HD ARG 22 -1.801 16.295 1.634 157 HE ARG 22 HE ARG 22 -1.101 17.543 4.110 158 HH11 ARG 22 1HH1 ARG 22 -2.131 18.143 0.839 159 HH12 ARG 22 2HH1 ARG 22 -2.874 19.662 1.212 160 HH21 ARG 22 1HH2 ARG 22 -2.076 19.542 4.615 161 HH22 ARG 22 2HH2 ARG 22 -2.840 20.459 3.360 162 H SER 23 H SER 23 -3.040 12.551 0.942 163 HA SER 23 HA SER 23 -0.436 11.404 0.568 164 HB2 SER 23 1HB SER 23 -1.786 9.938 2.290 165 HB3 SER 23 2HB SER 23 -2.599 9.351 0.840 166 HG SER 23 HG SER 23 -0.786 8.071 1.342 167 H LEU 24 H LEU 24 -0.253 10.238 -1.452 168 HA LEU 24 HA LEU 24 -2.030 11.327 -3.456 169 HB2 LEU 24 1HB LEU 24 0.415 9.580 -3.695 170 HB3 LEU 24 2HB LEU 24 -0.464 10.275 -5.055 171 HG LEU 24 HG LEU 24 0.679 12.068 -2.953 172 HD11 LEU 24 1HD1 LEU 24 2.743 12.219 -4.321 173 HD12 LEU 24 2HD1 LEU 24 2.198 10.811 -5.231 174 HD13 LEU 24 3HD1 LEU 24 2.545 10.666 -3.508 175 HD21 LEU 24 3HD2 LEU 24 -0.259 13.536 -4.340 176 HD22 LEU 24 1HD2 LEU 24 -0.537 12.306 -5.573 177 HD23 LEU 24 2HD2 LEU 24 1.019 13.131 -5.486 178 H CYS 25 H CYS 25 -1.051 8.109 -2.325 179 HA CYS 25 HA CYS 25 -3.544 7.043 -3.454 180 HB2 CYS 25 1HB CYS 25 -2.418 5.055 -4.247 181 HB3 CYS 25 2HB CYS 25 -1.638 6.469 -4.947 182 H ALA 26 H ALA 26 -3.985 4.785 -2.548 183 HA ALA 26 HA ALA 26 -3.236 4.736 0.304 184 HB1 ALA 26 3HB ALA 26 -5.594 3.340 0.165 185 HB2 ALA 26 1HB ALA 26 -5.420 5.021 0.671 186 HB3 ALA 26 2HB ALA 26 -5.841 4.641 -0.999 187 H CYS 27 H CYS 27 -2.538 2.848 1.168 188 HA CYS 27 HA CYS 27 -2.290 0.566 -0.676 189 HB2 CYS 27 1HB CYS 27 -0.611 1.240 1.749 190 HB3 CYS 27 2HB CYS 27 -0.354 -0.122 0.663 191 H SER 28 H SER 28 -4.682 0.999 0.767 192 HA SER 28 HA SER 28 -4.623 -1.321 2.581 193 HB2 SER 28 1HB SER 28 -6.364 -0.235 3.948 194 HB3 SER 28 2HB SER 28 -4.890 0.732 3.898 195 HG SER 28 HG SER 28 -6.093 1.752 1.987 196 H ASP 29 H ASP 29 -6.467 -2.650 2.585 197 HA ASP 29 HA ASP 29 -7.603 -3.300 0.198 198 HB2 ASP 29 1HB ASP 29 -8.642 -3.634 3.004 199 HB3 ASP 29 2HB ASP 29 -9.526 -4.262 1.616 200 H ASP 30 H ASP 30 -8.956 -1.083 2.617 201 HA ASP 30 HA ASP 30 -11.400 -0.495 1.615 202 HB2 ASP 30 1HB ASP 30 -9.330 1.392 2.740 203 HB3 ASP 30 2HB ASP 30 -10.983 1.889 2.388 204 H CYS 31 H CYS 31 -8.310 0.542 0.297 205 HA CYS 31 HA CYS 31 -9.110 2.481 -1.497 206 HB2 CYS 31 1HB CYS 31 -7.055 2.210 -2.532 207 HB3 CYS 31 2HB CYS 31 -6.745 1.502 -0.950 208 H LYS 32 H LYS 32 -9.156 -1.037 -1.885 209 HA LYS 32 HA LYS 32 -9.805 -1.288 -4.537 210 HB2 LYS 32 1HB LYS 32 -10.542 -2.865 -2.104 211 HB3 LYS 32 2HB LYS 32 -11.279 -3.281 -3.646 212 HG2 LYS 32 1HG LYS 32 -8.307 -3.038 -3.340 213 HG3 LYS 32 2HG LYS 32 -9.167 -4.532 -2.958 214 HD2 LYS 32 1HD LYS 32 -10.172 -4.357 -5.294 215 HD3 LYS 32 2HD LYS 32 -8.949 -3.124 -5.607 216 HE2 LYS 32 1HE LYS 32 -7.181 -4.683 -5.199 217 HE3 LYS 32 2HE LYS 32 -8.317 -5.902 -4.626 218 HZ1 LYS 32 3HZ LYS 32 -9.218 -6.111 -6.815 219 HZ2 LYS 32 1HZ LYS 32 -7.537 -6.272 -6.923 220 HZ3 LYS 32 2HZ LYS 32 -8.280 -4.828 -7.392 221 H ASP 33 H ASP 33 -11.994 -0.581 -1.843 222 HA ASP 33 HA ASP 33 -14.331 -0.510 -3.499 223 HB2 ASP 33 1HB ASP 33 -14.029 0.702 -0.749 224 HB3 ASP 33 2HB ASP 33 -15.511 0.159 -1.531 225 H GLN 34 H GLN 34 -12.699 2.057 -1.630 226 HA GLN 34 HA GLN 34 -14.023 4.227 -2.686 227 HB2 GLN 34 1HB GLN 34 -11.188 3.944 -1.705 228 HB3 GLN 34 2HB GLN 34 -11.858 5.494 -2.195 229 HG2 GLN 34 1HG GLN 34 -13.354 3.873 -0.207 230 HG3 GLN 34 2HG GLN 34 -11.889 4.704 0.312 231 HE21 GLN 34 1HE2 GLN 34 -14.950 5.243 -1.374 232 HE22 GLN 34 2HE2 GLN 34 -15.179 6.859 -0.810 233 H GLY 35 H GLY 35 -10.826 3.067 -3.786 234 HA2 GLY 35 1HA GLY 35 -10.508 2.680 -6.187 235 HA3 GLY 35 2HA GLY 35 -11.521 4.087 -6.470 236 H ASP 36 H ASP 36 -8.885 3.728 -4.136 237 HA ASP 36 HA ASP 36 -7.326 5.685 -5.681 238 HB2 ASP 36 1HB ASP 36 -7.601 5.731 -2.671 239 HB3 ASP 36 2HB ASP 36 -6.757 6.902 -3.679 240 H CYS 37 H CYS 37 -6.963 2.911 -5.739 241 HA CYS 37 HA CYS 37 -4.852 2.185 -3.916 242 HB2 CYS 37 1HB CYS 37 -5.650 0.728 -6.437 243 HB3 CYS 37 2HB CYS 37 -4.843 0.067 -5.018 244 H CYS 38 H CYS 38 -2.737 2.477 -4.185 245 HA CYS 38 HA CYS 38 -1.551 4.144 -5.951 246 HB2 CYS 38 1HB CYS 38 -0.237 1.619 -4.931 247 HB3 CYS 38 2HB CYS 38 0.571 3.103 -5.427 248 H ILE 39 H ILE 39 -0.114 3.786 -7.792 249 HA ILE 39 HA ILE 39 -1.381 2.468 -9.905 250 HB ILE 39 HB ILE 39 0.159 4.297 -10.310 251 HG12 ILE 39 1HG1 ILE 39 1.377 1.827 -11.541 252 HG13 ILE 39 2HG1 ILE 39 -0.206 2.432 -12.015 253 HG21 ILE 39 1HG2 ILE 39 2.216 2.416 -9.182 254 HG22 ILE 39 2HG2 ILE 39 2.640 3.825 -10.154 255 HG23 ILE 39 3HG2 ILE 39 1.790 4.034 -8.622 256 HD11 ILE 39 3HD1 ILE 39 2.258 3.167 -13.059 257 HD12 ILE 39 1HD1 ILE 39 0.703 3.946 -13.348 258 HD13 ILE 39 2HD1 ILE 39 1.758 4.535 -12.064 259 H ASN 40 H ASN 40 1.066 1.379 -7.657 260 HA ASN 40 HA ASN 40 0.986 -1.272 -8.942 261 HB2 ASN 40 1HB ASN 40 3.328 -1.556 -7.937 262 HB3 ASN 40 2HB ASN 40 3.180 -0.510 -9.348 263 HD21 ASN 40 1HD2 ASN 40 3.109 -0.381 -5.808 264 HD22 ASN 40 2HD2 ASN 40 3.933 1.132 -5.675 265 H TYR 41 H TYR 41 -0.851 -0.545 -7.010 266 HA TYR 41 HA TYR 41 -0.018 -1.287 -4.387 267 HB2 TYR 41 1HB TYR 41 -1.901 0.036 -4.293 268 HB3 TYR 41 2HB TYR 41 -2.623 -0.703 -5.718 269 HD1 TYR 41 HD2 TYR 41 -3.833 -2.837 -5.531 270 HD2 TYR 41 HD1 TYR 41 -2.279 -0.862 -2.098 271 HE1 TYR 41 HE2 TYR 41 -5.262 -4.229 -4.092 272 HE2 TYR 41 HE1 TYR 41 -3.703 -2.249 -0.649 273 HH TYR 41 HH TYR 41 -6.033 -3.550 -1.060 274 H SER 42 H SER 42 -1.671 -2.967 -7.024 275 HA SER 42 HA SER 42 -2.106 -5.376 -5.574 276 HB2 SER 42 1HB SER 42 -2.652 -6.348 -7.774 277 HB3 SER 42 2HB SER 42 -3.458 -4.799 -7.535 278 HG SER 42 HG SER 42 -2.382 -4.008 -9.156 279 H SER 43 H SER 43 0.433 -4.225 -7.728 280 HA SER 43 HA SER 43 1.818 -6.678 -7.967 281 HB2 SER 43 1HB SER 43 2.977 -3.888 -8.159 282 HB3 SER 43 2HB SER 43 3.653 -5.363 -8.850 283 HG SER 43 HG SER 43 1.249 -4.052 -9.582 284 H VAL 44 H VAL 44 2.083 -3.982 -5.701 285 HA VAL 44 HA VAL 44 4.330 -5.129 -4.313 286 HB VAL 44 HB VAL 44 2.529 -2.820 -3.573 287 HG11 VAL 44 1HG1 VAL 44 4.109 -2.259 -1.863 288 HG12 VAL 44 2HG1 VAL 44 3.613 -3.937 -1.624 289 HG13 VAL 44 3HG1 VAL 44 5.179 -3.573 -2.352 290 HG21 VAL 44 3HG2 VAL 44 4.318 -1.404 -4.332 291 HG22 VAL 44 1HG2 VAL 44 5.348 -2.803 -4.643 292 HG23 VAL 44 2HG2 VAL 44 3.907 -2.532 -5.623 293 H CYS 45 H CYS 45 0.905 -4.563 -3.511 294 HA CYS 45 HA CYS 45 1.094 -6.123 -1.097 295 HB2 CYS 45 1HB CYS 45 -1.309 -4.959 -2.522 296 HB3 CYS 45 2HB CYS 45 -1.344 -5.708 -0.929 297 H GLN 46 H GLN 46 -0.954 -6.462 -4.001 298 HA GLN 46 HA GLN 46 -1.421 -9.246 -3.432 299 HB2 GLN 46 1HB GLN 46 -2.184 -7.549 -5.814 300 HB3 GLN 46 2HB GLN 46 -2.719 -9.202 -5.548 301 HG2 GLN 46 1HG GLN 46 -3.436 -6.731 -4.018 302 HG3 GLN 46 2HG GLN 46 -4.499 -7.874 -4.838 303 HE21 GLN 46 1HE2 GLN 46 -3.856 -6.822 -1.934 304 HE22 GLN 46 2HE2 GLN 46 -4.018 -8.261 -0.992 305 H GLY 47 H GLY 47 1.293 -8.832 -3.687 306 HA2 GLY 47 1HA GLY 47 2.237 -9.376 -6.327 307 HA3 GLY 47 2HA GLY 47 3.171 -9.497 -4.844 308 H GLU 48 H GLU 48 2.414 -11.238 -7.386 309 HA GLU 48 HA GLU 48 1.495 -13.671 -6.138 310 HB2 GLU 48 1HB GLU 48 0.852 -13.131 -8.444 311 HB3 GLU 48 2HB GLU 48 2.542 -13.165 -8.929 312 HG2 GLU 48 1HG GLU 48 2.458 -15.596 -7.970 313 HG3 GLU 48 2HG GLU 48 0.724 -15.416 -8.233 314 H LYS 49 H LYS 49 4.514 -12.565 -7.658 315 HA LYS 49 HA LYS 49 5.902 -14.864 -6.468 316 HB2 LYS 49 1HB LYS 49 6.208 -14.600 -8.873 317 HB3 LYS 49 2HB LYS 49 6.770 -12.949 -8.642 318 HG2 LYS 49 1HG LYS 49 8.648 -13.922 -7.257 319 HG3 LYS 49 2HG LYS 49 8.148 -15.501 -7.866 320 HD2 LYS 49 1HD LYS 49 8.654 -13.266 -9.784 321 HD3 LYS 49 2HD LYS 49 10.015 -14.154 -9.098 322 HE2 LYS 49 1HE LYS 49 9.640 -15.426 -10.950 323 HE3 LYS 49 2HE LYS 49 8.550 -16.235 -9.826 324 HZ1 LYS 49 3HZ LYS 49 7.820 -14.216 -11.874 325 HZ2 LYS 49 1HZ LYS 49 6.750 -14.800 -10.701 326 HZ3 LYS 49 2HZ LYS 49 7.393 -15.854 -11.857 327 H SER 50 H SER 50 7.543 -14.621 -5.024 328 HA SER 50 HA SER 50 7.637 -12.252 -3.483 329 HB2 SER 50 1HB SER 50 8.220 -14.727 -2.846 330 HB3 SER 50 2HB SER 50 9.838 -14.289 -3.393 331 HG SER 50 HG SER 50 9.284 -12.336 -1.896 332 H SER 51 H SER 51 9.439 -10.846 -3.119 333 HA SER 51 HA SER 51 10.701 -10.031 -5.563 334 HB2 SER 51 1HB SER 51 10.757 -8.992 -2.736 335 HB3 SER 51 2HB SER 51 11.797 -8.314 -3.988 336 HG SER 51 HG SER 51 9.992 -7.704 -5.136 337 H GLY 52 H GLY 52 12.281 -11.347 -6.286 338 HA2 GLY 52 1HA GLY 52 14.719 -11.578 -6.148 339 HA3 GLY 52 2HA GLY 52 14.517 -11.876 -4.428 340 HA PRO 53 HA PRO 53 14.373 -15.839 -7.123 341 HB2 PRO 53 1HB PRO 53 16.963 -16.629 -6.929 342 HB3 PRO 53 2HB PRO 53 16.362 -15.619 -8.250 343 HG2 PRO 53 1HG PRO 53 17.830 -14.815 -5.768 344 HG3 PRO 53 2HG PRO 53 18.059 -14.253 -7.434 345 HD2 PRO 53 1HD PRO 53 16.686 -12.823 -5.589 346 HD3 PRO 53 2HD PRO 53 16.281 -12.790 -7.317 347 H SER 54 H SER 54 14.879 -18.047 -6.309 348 HA SER 54 HA SER 54 13.931 -18.626 -3.875 349 HB2 SER 54 1HB SER 54 14.698 -20.267 -5.657 350 HB3 SER 54 2HB SER 54 16.314 -20.130 -4.964 351 HG SER 54 HG SER 54 15.693 -21.531 -3.543 352 H SER 55 H SER 55 14.794 -19.144 -1.800 353 HA SER 55 HA SER 55 17.192 -17.566 -1.145 354 HB2 SER 55 1HB SER 55 16.275 -17.351 1.110 355 HB3 SER 55 2HB SER 55 15.093 -16.802 -0.077 356 HG SER 55 HG SER 55 14.270 -19.061 0.092 357 H GLY 56 H GLY 56 15.458 -20.539 -0.218 358 HA2 GLY 56 1HA GLY 56 17.141 -22.502 -0.386 359 HA3 GLY 56 2HA GLY 56 17.974 -21.600 0.870 Start of MODEL 4 1 H1 GLY 1 H GLY 1 12.313 4.174 2.049 2 HA2 GLY 1 1HA GLY 1 10.820 5.027 3.582 3 HA3 GLY 1 2HA GLY 1 11.515 3.943 4.779 4 H SER 2 H SER 2 12.655 6.766 2.916 5 HA SER 2 HA SER 2 13.375 8.047 5.459 6 HB2 SER 2 1HB SER 2 15.538 8.679 4.668 7 HB3 SER 2 2HB SER 2 15.377 6.952 4.349 8 HG SER 2 HG SER 2 14.667 7.640 2.181 9 H SER 3 H SER 3 12.700 10.086 5.603 10 HA SER 3 HA SER 3 11.536 11.976 5.044 11 HB2 SER 3 1HB SER 3 13.929 12.433 4.343 12 HB3 SER 3 2HB SER 3 13.435 12.054 2.693 13 HG SER 3 HG SER 3 12.702 14.006 2.571 14 H GLY 4 H GLY 4 10.217 9.704 4.135 15 HA2 GLY 4 1HA GLY 4 8.762 10.845 1.879 16 HA3 GLY 4 2HA GLY 4 9.476 9.260 1.623 17 H SER 5 H SER 5 6.817 10.976 2.835 18 HA SER 5 HA SER 5 5.801 8.604 4.245 19 HB2 SER 5 1HB SER 5 4.226 10.082 5.349 20 HB3 SER 5 2HB SER 5 5.849 10.752 5.514 21 HG SER 5 HG SER 5 3.657 11.746 4.184 22 H SER 6 H SER 6 4.871 11.076 1.875 23 HA SER 6 HA SER 6 2.638 9.369 1.025 24 HB2 SER 6 1HB SER 6 1.794 11.377 -0.139 25 HB3 SER 6 2HB SER 6 2.034 11.677 1.581 26 HG SER 6 HG SER 6 4.179 12.229 -0.097 27 H GLY 7 H GLY 7 2.224 9.190 -1.308 28 HA2 GLY 7 1HA GLY 7 3.656 9.841 -3.454 29 HA3 GLY 7 2HA GLY 7 4.722 8.658 -2.710 30 H TRP 8 H TRP 8 3.651 8.324 -5.263 31 HA TRP 8 HA TRP 8 1.368 6.563 -5.087 32 HB2 TRP 8 1HB TRP 8 3.172 7.100 -7.456 33 HB3 TRP 8 2HB TRP 8 1.575 6.357 -7.496 34 HD1 TRP 8 HD1 TRP 8 3.277 9.762 -7.017 35 HE1 TRP 8 HE1 TRP 8 1.524 11.610 -7.389 36 HE3 TRP 8 HE3 TRP 8 -0.904 6.847 -7.414 37 HZ2 TRP 8 HZ2 TRP 8 -1.262 11.806 -7.796 38 HZ3 TRP 8 HZ3 TRP 8 -3.074 7.943 -7.794 39 HH2 TRP 8 HH2 TRP 8 -3.248 10.371 -7.980 40 H THR 9 H THR 9 3.435 5.641 -3.483 41 HA THR 9 HA THR 9 4.077 3.114 -4.831 42 HB THR 9 HB THR 9 6.304 3.066 -3.784 43 HG1 THR 9 HG1 THR 9 5.456 4.871 -2.221 44 HG21 THR 9 3HG2 THR 9 6.716 5.569 -5.119 45 HG22 THR 9 1HG2 THR 9 5.496 4.634 -5.982 46 HG23 THR 9 2HG2 THR 9 7.087 3.939 -5.678 47 H CYS 10 H CYS 10 4.091 1.301 -3.519 48 HA CYS 10 HA CYS 10 3.336 1.719 -0.704 49 HB2 CYS 10 1HB CYS 10 2.057 -0.051 -2.767 50 HB3 CYS 10 2HB CYS 10 1.957 -0.455 -1.057 51 H ASN 11 H ASN 11 3.771 -0.138 0.697 52 HA ASN 11 HA ASN 11 6.025 -1.760 -0.290 53 HB2 ASN 11 1HB ASN 11 5.649 -0.363 2.351 54 HB3 ASN 11 2HB ASN 11 6.761 -1.719 2.180 55 HD21 ASN 11 1HD2 ASN 11 8.622 -0.607 2.506 56 HD22 ASN 11 2HD2 ASN 11 9.217 0.607 1.430 57 H LYS 12 H LYS 12 6.273 -3.858 0.655 58 HA LYS 12 HA LYS 12 3.998 -5.402 0.754 59 HB2 LYS 12 1HB LYS 12 6.545 -6.039 0.664 60 HB3 LYS 12 2HB LYS 12 6.369 -6.188 2.407 61 HG2 LYS 12 1HG LYS 12 6.052 -8.345 1.504 62 HG3 LYS 12 2HG LYS 12 4.454 -7.759 1.974 63 HD2 LYS 12 1HD LYS 12 4.367 -6.926 -0.510 64 HD3 LYS 12 2HD LYS 12 5.611 -8.155 -0.751 65 HE2 LYS 12 1HE LYS 12 3.496 -9.160 -1.211 66 HE3 LYS 12 2HE LYS 12 4.074 -9.806 0.323 67 HZ1 LYS 12 3HZ LYS 12 1.820 -9.295 0.641 68 HZ2 LYS 12 1HZ LYS 12 1.953 -7.789 -0.119 69 HZ3 LYS 12 2HZ LYS 12 2.661 -8.037 1.397 70 H PHE 13 H PHE 13 5.906 -4.315 3.567 71 HA PHE 13 HA PHE 13 4.132 -5.288 5.513 72 HB2 PHE 13 1HB PHE 13 6.226 -3.120 5.568 73 HB3 PHE 13 2HB PHE 13 5.279 -3.537 6.992 74 HD1 PHE 13 HD1 PHE 13 7.778 -4.754 4.587 75 HD2 PHE 13 HD2 PHE 13 5.710 -5.526 8.226 76 HE1 PHE 13 HE1 PHE 13 9.357 -6.571 5.095 77 HE2 PHE 13 HE2 PHE 13 7.285 -7.344 8.740 78 HZ PHE 13 HZ PHE 13 9.114 -7.868 7.175 79 H ARG 14 H ARG 14 4.364 -2.140 3.920 80 HA ARG 14 HA ARG 14 2.584 -0.656 5.393 81 HB2 ARG 14 1HB ARG 14 3.318 -0.682 2.496 82 HB3 ARG 14 2HB ARG 14 1.985 0.337 3.023 83 HG2 ARG 14 1HG ARG 14 4.643 0.465 4.391 84 HG3 ARG 14 2HG ARG 14 4.346 1.346 2.891 85 HD2 ARG 14 1HD ARG 14 3.730 2.950 4.388 86 HD3 ARG 14 2HD ARG 14 2.184 2.123 4.204 87 HE ARG 14 HE ARG 14 2.378 1.320 6.359 88 HH11 ARG 14 1HH1 ARG 14 5.357 2.822 5.365 89 HH12 ARG 14 2HH1 ARG 14 6.041 2.822 6.957 90 HH21 ARG 14 1HH2 ARG 14 3.267 1.314 8.460 91 HH22 ARG 14 2HH2 ARG 14 4.851 1.962 8.717 92 H CYS 15 H CYS 15 1.827 -2.842 2.694 93 HA CYS 15 HA CYS 15 -0.826 -2.506 2.344 94 HB2 CYS 15 1HB CYS 15 0.384 -5.254 2.671 95 HB3 CYS 15 2HB CYS 15 -0.989 -4.799 1.665 96 H GLY 16 H GLY 16 -2.316 -2.102 3.853 97 HA2 GLY 16 1HA GLY 16 -3.905 -3.159 5.358 98 HA3 GLY 16 2HA GLY 16 -2.557 -4.032 6.073 99 H GLU 17 H GLU 17 -2.869 -0.584 5.288 100 HA GLU 17 HA GLU 17 -2.337 0.001 8.124 101 HB2 GLU 17 1HB GLU 17 -1.435 2.157 7.351 102 HB3 GLU 17 2HB GLU 17 -0.578 0.794 6.646 103 HG2 GLU 17 1HG GLU 17 -1.440 1.164 4.541 104 HG3 GLU 17 2HG GLU 17 -2.830 2.058 5.154 105 H LYS 18 H LYS 18 -3.228 2.159 8.850 106 HA LYS 18 HA LYS 18 -5.904 2.607 7.698 107 HB2 LYS 18 1HB LYS 18 -6.644 3.135 10.048 108 HB3 LYS 18 2HB LYS 18 -6.261 1.444 9.747 109 HG2 LYS 18 1HG LYS 18 -5.184 1.717 11.723 110 HG3 LYS 18 2HG LYS 18 -3.886 2.203 10.632 111 HD2 LYS 18 1HD LYS 18 -3.909 3.893 12.238 112 HD3 LYS 18 2HD LYS 18 -4.838 4.581 10.905 113 HE2 LYS 18 1HE LYS 18 -6.197 3.096 13.126 114 HE3 LYS 18 2HE LYS 18 -5.754 4.793 13.313 115 HZ1 LYS 18 3HZ LYS 18 -6.980 5.005 11.038 116 HZ2 LYS 18 1HZ LYS 18 -7.859 4.973 12.482 117 HZ3 LYS 18 2HZ LYS 18 -7.744 3.579 11.532 118 H ARG 19 H ARG 19 -3.137 3.962 7.582 119 HA ARG 19 HA ARG 19 -4.124 6.667 8.202 120 HB2 ARG 19 1HB ARG 19 -1.478 5.407 8.770 121 HB3 ARG 19 2HB ARG 19 -1.525 7.121 8.380 122 HG2 ARG 19 1HG ARG 19 -3.386 6.096 10.456 123 HG3 ARG 19 2HG ARG 19 -1.677 6.270 10.860 124 HD2 ARG 19 1HD ARG 19 -1.706 8.579 10.483 125 HD3 ARG 19 2HD ARG 19 -3.211 8.499 9.569 126 HE ARG 19 HE ARG 19 -2.918 8.615 12.441 127 HH11 ARG 19 1HH1 ARG 19 -5.009 7.848 9.765 128 HH12 ARG 19 2HH1 ARG 19 -6.466 8.031 10.682 129 HH21 ARG 19 1HH2 ARG 19 -4.831 8.859 13.659 130 HH22 ARG 19 2HH2 ARG 19 -6.365 8.607 12.897 131 H LEU 20 H LEU 20 -2.505 8.299 7.005 132 HA LEU 20 HA LEU 20 -2.158 9.266 4.963 133 HB2 LEU 20 1HB LEU 20 -0.809 6.596 4.713 134 HB3 LEU 20 2HB LEU 20 -0.721 7.809 3.437 135 HG LEU 20 HG LEU 20 1.280 7.818 4.838 136 HD11 LEU 20 1HD1 LEU 20 0.199 9.924 3.822 137 HD12 LEU 20 2HD1 LEU 20 1.467 10.124 5.030 138 HD13 LEU 20 3HD1 LEU 20 -0.224 10.324 5.487 139 HD21 LEU 20 3HD2 LEU 20 -0.028 7.079 6.908 140 HD22 LEU 20 1HD2 LEU 20 -0.410 8.787 7.120 141 HD23 LEU 20 2HD2 LEU 20 1.270 8.252 7.137 142 H THR 21 H THR 21 -4.722 8.252 5.147 143 HA THR 21 HA THR 21 -5.323 6.688 2.797 144 HB THR 21 HB THR 21 -7.700 7.071 3.435 145 HG1 THR 21 HG1 THR 21 -7.645 9.033 4.467 146 HG21 THR 21 3HG2 THR 21 -6.496 6.253 5.994 147 HG22 THR 21 1HG2 THR 21 -5.896 5.398 4.575 148 HG23 THR 21 2HG2 THR 21 -7.621 5.392 4.944 149 H ARG 22 H ARG 22 -5.771 10.046 3.847 150 HA ARG 22 HA ARG 22 -7.173 10.960 1.603 151 HB2 ARG 22 1HB ARG 22 -5.529 12.239 3.732 152 HB3 ARG 22 2HB ARG 22 -5.915 13.195 2.308 153 HG2 ARG 22 1HG ARG 22 -8.318 12.708 2.699 154 HG3 ARG 22 2HG ARG 22 -7.863 11.899 4.201 155 HD2 ARG 22 1HD ARG 22 -8.566 14.166 4.668 156 HD3 ARG 22 2HD ARG 22 -6.840 13.996 4.990 157 HE ARG 22 HE ARG 22 -7.200 14.914 2.359 158 HH11 ARG 22 1HH1 ARG 22 -7.568 15.988 5.650 159 HH12 ARG 22 2HH1 ARG 22 -7.303 17.658 5.272 160 HH21 ARG 22 1HH2 ARG 22 -6.848 17.109 1.850 161 HH22 ARG 22 2HH2 ARG 22 -6.895 18.295 3.110 162 H SER 23 H SER 23 -3.721 10.607 2.202 163 HA SER 23 HA SER 23 -2.517 12.038 0.265 164 HB2 SER 23 1HB SER 23 -1.585 10.178 1.881 165 HB3 SER 23 2HB SER 23 -1.739 9.151 0.456 166 HG SER 23 HG SER 23 -0.081 11.373 0.886 167 H LEU 24 H LEU 24 -1.751 11.519 -1.908 168 HA LEU 24 HA LEU 24 -3.587 11.264 -3.821 169 HB2 LEU 24 1HB LEU 24 -0.892 9.922 -3.971 170 HB3 LEU 24 2HB LEU 24 -1.888 10.413 -5.340 171 HG LEU 24 HG LEU 24 -0.901 12.437 -3.361 172 HD11 LEU 24 1HD1 LEU 24 0.773 12.505 -5.606 173 HD12 LEU 24 2HD1 LEU 24 0.737 10.823 -5.075 174 HD13 LEU 24 3HD1 LEU 24 1.209 12.093 -3.947 175 HD21 LEU 24 3HD2 LEU 24 -2.118 12.412 -6.059 176 HD22 LEU 24 1HD2 LEU 24 -0.895 13.641 -5.741 177 HD23 LEU 24 2HD2 LEU 24 -2.333 13.546 -4.725 178 H CYS 25 H CYS 25 -1.967 8.483 -2.317 179 HA CYS 25 HA CYS 25 -4.267 6.826 -3.051 180 HB2 CYS 25 1HB CYS 25 -2.816 4.997 -3.794 181 HB3 CYS 25 2HB CYS 25 -2.576 6.431 -4.787 182 H ALA 26 H ALA 26 -4.062 4.609 -1.938 183 HA ALA 26 HA ALA 26 -2.833 4.934 0.718 184 HB1 ALA 26 3HB ALA 26 -5.080 5.313 1.193 185 HB2 ALA 26 1HB ALA 26 -5.629 4.099 0.036 186 HB3 ALA 26 2HB ALA 26 -4.870 3.599 1.548 187 H CYS 27 H CYS 27 -2.248 2.983 1.794 188 HA CYS 27 HA CYS 27 -1.863 0.720 -0.052 189 HB2 CYS 27 1HB CYS 27 -0.201 1.499 2.354 190 HB3 CYS 27 2HB CYS 27 0.114 0.139 1.282 191 H SER 28 H SER 28 -4.279 0.855 1.212 192 HA SER 28 HA SER 28 -4.059 -1.299 3.209 193 HB2 SER 28 1HB SER 28 -5.774 -0.359 4.536 194 HB3 SER 28 2HB SER 28 -4.736 1.005 4.121 195 HG SER 28 HG SER 28 -6.917 1.532 3.798 196 H ASP 29 H ASP 29 -5.999 -2.663 3.365 197 HA ASP 29 HA ASP 29 -6.950 -3.348 0.733 198 HB2 ASP 29 1HB ASP 29 -7.720 -4.583 3.384 199 HB3 ASP 29 2HB ASP 29 -7.926 -5.291 1.784 200 H ASP 30 H ASP 30 -7.851 -0.832 1.365 201 HA ASP 30 HA ASP 30 -10.745 -1.295 1.612 202 HB2 ASP 30 1HB ASP 30 -9.579 -0.229 3.674 203 HB3 ASP 30 2HB ASP 30 -9.479 1.215 2.671 204 H CYS 31 H CYS 31 -8.139 0.738 0.390 205 HA CYS 31 HA CYS 31 -9.499 2.645 -1.027 206 HB2 CYS 31 1HB CYS 31 -7.576 2.819 -2.471 207 HB3 CYS 31 2HB CYS 31 -7.015 2.453 -0.842 208 H LYS 32 H LYS 32 -8.938 -0.715 -1.931 209 HA LYS 32 HA LYS 32 -9.658 -0.799 -4.550 210 HB2 LYS 32 1HB LYS 32 -10.601 -2.738 -2.429 211 HB3 LYS 32 2HB LYS 32 -10.511 -3.062 -4.156 212 HG2 LYS 32 1HG LYS 32 -8.128 -2.943 -4.127 213 HG3 LYS 32 2HG LYS 32 -8.126 -2.369 -2.457 214 HD2 LYS 32 1HD LYS 32 -8.987 -4.481 -1.679 215 HD3 LYS 32 2HD LYS 32 -9.179 -5.055 -3.338 216 HE2 LYS 32 1HE LYS 32 -6.893 -5.295 -3.653 217 HE3 LYS 32 2HE LYS 32 -6.496 -4.179 -2.347 218 HZ1 LYS 32 3HZ LYS 32 -7.561 -5.950 -0.856 219 HZ2 LYS 32 1HZ LYS 32 -6.011 -6.249 -1.467 220 HZ3 LYS 32 2HZ LYS 32 -7.357 -6.995 -2.171 221 H ASP 33 H ASP 33 -11.853 -0.589 -1.782 222 HA ASP 33 HA ASP 33 -14.257 -0.793 -3.238 223 HB2 ASP 33 1HB ASP 33 -14.104 -1.079 -0.784 224 HB3 ASP 33 2HB ASP 33 -13.768 0.642 -0.619 225 H GLN 34 H GLN 34 -12.807 2.131 -1.788 226 HA GLN 34 HA GLN 34 -14.474 3.951 -3.111 227 HB2 GLN 34 1HB GLN 34 -11.838 4.148 -1.720 228 HB3 GLN 34 2HB GLN 34 -12.404 5.523 -2.658 229 HG2 GLN 34 1HG GLN 34 -14.262 4.289 -0.696 230 HG3 GLN 34 2HG GLN 34 -12.937 5.286 -0.095 231 HE21 GLN 34 1HE2 GLN 34 -16.041 5.454 -0.609 232 HE22 GLN 34 2HE2 GLN 34 -16.221 7.077 -1.173 233 H GLY 35 H GLY 35 -11.029 3.295 -3.804 234 HA2 GLY 35 1HA GLY 35 -10.524 2.686 -6.171 235 HA3 GLY 35 2HA GLY 35 -11.595 4.006 -6.617 236 H ASP 36 H ASP 36 -9.106 3.902 -4.095 237 HA ASP 36 HA ASP 36 -7.580 5.912 -5.607 238 HB2 ASP 36 1HB ASP 36 -8.665 6.085 -2.837 239 HB3 ASP 36 2HB ASP 36 -7.073 6.776 -3.138 240 H CYS 37 H CYS 37 -6.935 3.265 -5.700 241 HA CYS 37 HA CYS 37 -4.920 2.701 -3.691 242 HB2 CYS 37 1HB CYS 37 -5.624 1.137 -6.182 243 HB3 CYS 37 2HB CYS 37 -4.651 0.570 -4.829 244 H CYS 38 H CYS 38 -2.728 2.690 -3.998 245 HA CYS 38 HA CYS 38 -1.555 4.534 -5.675 246 HB2 CYS 38 1HB CYS 38 -0.359 2.038 -4.457 247 HB3 CYS 38 2HB CYS 38 0.589 3.306 -5.229 248 H ILE 39 H ILE 39 0.155 4.024 -7.370 249 HA ILE 39 HA ILE 39 -1.115 2.748 -9.569 250 HB ILE 39 HB ILE 39 0.379 4.656 -9.893 251 HG12 ILE 39 1HG1 ILE 39 1.827 3.623 -11.716 252 HG13 ILE 39 2HG1 ILE 39 1.204 2.061 -11.197 253 HG21 ILE 39 1HG2 ILE 39 2.214 2.967 -8.386 254 HG22 ILE 39 2HG2 ILE 39 2.941 3.669 -9.831 255 HG23 ILE 39 3HG2 ILE 39 2.210 4.717 -8.615 256 HD11 ILE 39 3HD1 ILE 39 -0.960 2.564 -11.900 257 HD12 ILE 39 1HD1 ILE 39 -0.630 4.294 -11.981 258 HD13 ILE 39 2HD1 ILE 39 0.077 3.205 -13.175 259 H ASN 40 H ASN 40 1.186 1.717 -7.183 260 HA ASN 40 HA ASN 40 1.319 -0.910 -8.507 261 HB2 ASN 40 1HB ASN 40 3.606 -1.188 -7.712 262 HB3 ASN 40 2HB ASN 40 3.485 0.269 -8.695 263 HD21 ASN 40 1HD2 ASN 40 5.383 -0.537 -6.575 264 HD22 ASN 40 2HD2 ASN 40 5.350 0.749 -5.423 265 H TYR 41 H TYR 41 -0.684 -0.830 -6.939 266 HA TYR 41 HA TYR 41 0.086 -1.466 -4.194 267 HB2 TYR 41 1HB TYR 41 -1.781 0.046 -4.413 268 HB3 TYR 41 2HB TYR 41 -2.615 -1.065 -5.494 269 HD1 TYR 41 HD2 TYR 41 -3.369 -3.307 -4.553 270 HD2 TYR 41 HD1 TYR 41 -2.087 -0.084 -2.089 271 HE1 TYR 41 HE2 TYR 41 -4.504 -4.334 -2.627 272 HE2 TYR 41 HE1 TYR 41 -3.218 -1.102 -0.157 273 HH TYR 41 HH TYR 41 -4.032 -4.080 0.136 274 H SER 42 H SER 42 -1.612 -2.918 -6.947 275 HA SER 42 HA SER 42 -2.078 -5.414 -5.659 276 HB2 SER 42 1HB SER 42 -2.750 -6.210 -7.866 277 HB3 SER 42 2HB SER 42 -3.425 -4.606 -7.577 278 HG SER 42 HG SER 42 -1.237 -4.028 -8.696 279 H SER 43 H SER 43 0.497 -4.116 -7.651 280 HA SER 43 HA SER 43 1.808 -6.594 -8.134 281 HB2 SER 43 1HB SER 43 2.317 -4.818 -9.628 282 HB3 SER 43 2HB SER 43 2.709 -3.719 -8.306 283 HG SER 43 HG SER 43 4.415 -5.083 -9.628 284 H VAL 44 H VAL 44 2.148 -4.072 -5.687 285 HA VAL 44 HA VAL 44 4.383 -5.378 -4.413 286 HB VAL 44 HB VAL 44 2.692 -3.055 -3.479 287 HG11 VAL 44 1HG1 VAL 44 4.854 -4.575 -2.215 288 HG12 VAL 44 2HG1 VAL 44 5.095 -2.827 -2.217 289 HG13 VAL 44 3HG1 VAL 44 3.639 -3.517 -1.498 290 HG21 VAL 44 3HG2 VAL 44 5.494 -2.686 -4.340 291 HG22 VAL 44 1HG2 VAL 44 4.323 -3.042 -5.611 292 HG23 VAL 44 2HG2 VAL 44 4.090 -1.643 -4.564 293 H CYS 45 H CYS 45 0.999 -4.707 -3.520 294 HA CYS 45 HA CYS 45 1.145 -6.388 -1.192 295 HB2 CYS 45 1HB CYS 45 -1.242 -5.118 -2.551 296 HB3 CYS 45 2HB CYS 45 -1.265 -5.901 -0.975 297 H GLN 46 H GLN 46 -0.939 -6.543 -4.087 298 HA GLN 46 HA GLN 46 -1.468 -9.337 -3.640 299 HB2 GLN 46 1HB GLN 46 -2.228 -7.498 -5.915 300 HB3 GLN 46 2HB GLN 46 -2.785 -9.158 -5.746 301 HG2 GLN 46 1HG GLN 46 -3.684 -8.419 -3.465 302 HG3 GLN 46 2HG GLN 46 -3.450 -6.776 -4.060 303 HE21 GLN 46 1HE2 GLN 46 -5.329 -5.970 -4.641 304 HE22 GLN 46 2HE2 GLN 46 -6.550 -6.784 -5.552 305 H GLY 47 H GLY 47 1.250 -8.983 -3.916 306 HA2 GLY 47 1HA GLY 47 2.044 -9.549 -6.637 307 HA3 GLY 47 2HA GLY 47 3.095 -9.500 -5.230 308 H GLU 48 H GLU 48 4.166 -11.392 -5.392 309 HA GLU 48 HA GLU 48 2.620 -13.847 -5.812 310 HB2 GLU 48 1HB GLU 48 4.768 -13.222 -7.128 311 HB3 GLU 48 2HB GLU 48 5.617 -13.714 -5.669 312 HG2 GLU 48 1HG GLU 48 3.723 -15.451 -7.235 313 HG3 GLU 48 2HG GLU 48 5.481 -15.499 -7.350 314 H LYS 49 H LYS 49 1.720 -14.178 -3.797 315 HA LYS 49 HA LYS 49 3.520 -14.373 -1.497 316 HB2 LYS 49 1HB LYS 49 1.149 -13.199 -1.587 317 HB3 LYS 49 2HB LYS 49 0.578 -14.833 -1.280 318 HG2 LYS 49 1HG LYS 49 2.148 -14.875 0.696 319 HG3 LYS 49 2HG LYS 49 2.366 -13.142 0.442 320 HD2 LYS 49 1HD LYS 49 0.078 -12.701 0.872 321 HD3 LYS 49 2HD LYS 49 -0.343 -14.412 0.777 322 HE2 LYS 49 1HE LYS 49 -0.321 -14.016 3.061 323 HE3 LYS 49 2HE LYS 49 1.285 -14.680 2.766 324 HZ1 LYS 49 3HZ LYS 49 1.216 -12.659 4.208 325 HZ2 LYS 49 1HZ LYS 49 0.723 -11.770 2.854 326 HZ3 LYS 49 2HZ LYS 49 2.235 -12.529 2.864 327 H SER 50 H SER 50 4.553 -16.315 -2.235 328 HA SER 50 HA SER 50 3.463 -18.661 -1.127 329 HB2 SER 50 1HB SER 50 2.167 -18.329 -3.377 330 HB3 SER 50 2HB SER 50 3.655 -18.928 -4.109 331 HG SER 50 HG SER 50 2.634 -20.366 -1.958 332 H SER 51 H SER 51 5.345 -19.234 -0.233 333 HA SER 51 HA SER 51 7.689 -19.494 -2.002 334 HB2 SER 51 1HB SER 51 9.119 -19.005 -0.136 335 HB3 SER 51 2HB SER 51 7.873 -17.759 -0.181 336 HG SER 51 HG SER 51 8.302 -18.704 1.932 337 H GLY 52 H GLY 52 5.817 -21.538 -1.863 338 HA2 GLY 52 1HA GLY 52 6.589 -23.877 -1.903 339 HA3 GLY 52 2HA GLY 52 7.301 -23.580 -0.325 340 HA PRO 53 HA PRO 53 2.488 -23.724 0.273 341 HB2 PRO 53 1HB PRO 53 1.076 -24.757 -1.803 342 HB3 PRO 53 2HB PRO 53 1.405 -23.029 -1.631 343 HG2 PRO 53 1HG PRO 53 2.801 -25.063 -3.326 344 HG3 PRO 53 2HG PRO 53 2.317 -23.407 -3.736 345 HD2 PRO 53 1HD PRO 53 4.856 -24.056 -3.055 346 HD3 PRO 53 2HD PRO 53 4.140 -22.478 -2.675 347 H SER 54 H SER 54 3.542 -26.250 -2.021 348 HA SER 54 HA SER 54 3.604 -28.248 0.029 349 HB2 SER 54 1HB SER 54 1.312 -28.162 -1.918 350 HB3 SER 54 2HB SER 54 1.878 -29.697 -1.258 351 HG SER 54 HG SER 54 0.157 -28.654 -0.049 352 H SER 55 H SER 55 4.612 -30.155 -0.637 353 HA SER 55 HA SER 55 6.314 -29.868 -2.924 354 HB2 SER 55 1HB SER 55 5.941 -32.209 -1.039 355 HB3 SER 55 2HB SER 55 7.232 -32.057 -2.229 356 HG SER 55 HG SER 55 7.468 -29.885 -0.964 357 H GLY 56 H GLY 56 6.593 -31.710 -4.495 358 HA2 GLY 56 1HA GLY 56 5.762 -33.084 -6.140 359 HA3 GLY 56 2HA GLY 56 4.442 -33.473 -5.048 Start of MODEL 5 1 H1 GLY 1 H GLY 1 17.224 15.714 -4.862 2 HA2 GLY 1 1HA GLY 1 17.932 13.539 -5.074 3 HA3 GLY 1 2HA GLY 1 16.762 13.117 -3.833 4 H SER 2 H SER 2 17.536 11.746 -6.349 5 HA SER 2 HA SER 2 15.048 11.882 -7.885 6 HB2 SER 2 1HB SER 2 17.327 11.894 -9.011 7 HB3 SER 2 2HB SER 2 17.483 10.208 -8.515 8 HG SER 2 HG SER 2 15.872 9.646 -9.857 9 H SER 3 H SER 3 17.098 9.491 -6.236 10 HA SER 3 HA SER 3 15.158 7.395 -6.523 11 HB2 SER 3 1HB SER 3 17.680 7.584 -4.860 12 HB3 SER 3 2HB SER 3 16.697 6.127 -5.010 13 HG SER 3 HG SER 3 17.512 7.371 -7.365 14 H GLY 4 H GLY 4 13.296 8.391 -5.582 15 HA2 GLY 4 1HA GLY 4 13.380 8.991 -2.730 16 HA3 GLY 4 2HA GLY 4 12.009 9.224 -3.805 17 H SER 5 H SER 5 13.145 7.434 -1.282 18 HA SER 5 HA SER 5 12.494 4.814 -1.696 19 HB2 SER 5 1HB SER 5 13.399 5.699 0.426 20 HB3 SER 5 2HB SER 5 11.829 6.418 0.785 21 HG SER 5 HG SER 5 12.130 3.653 0.278 22 H SER 6 H SER 6 10.215 7.268 -0.463 23 HA SER 6 HA SER 6 7.995 5.534 -1.272 24 HB2 SER 6 1HB SER 6 7.904 8.046 0.414 25 HB3 SER 6 2HB SER 6 6.599 6.884 0.180 26 HG SER 6 HG SER 6 8.721 6.799 1.889 27 H GLY 7 H GLY 7 5.981 6.863 -1.991 28 HA2 GLY 7 1HA GLY 7 5.473 9.058 -3.148 29 HA3 GLY 7 2HA GLY 7 6.895 8.698 -4.116 30 H TRP 8 H TRP 8 3.548 8.322 -3.817 31 HA TRP 8 HA TRP 8 1.979 7.068 -4.921 32 HB2 TRP 8 1HB TRP 8 3.959 7.663 -7.130 33 HB3 TRP 8 2HB TRP 8 2.327 7.057 -7.398 34 HD1 TRP 8 HD1 TRP 8 4.085 10.171 -7.554 35 HE1 TRP 8 HE1 TRP 8 2.528 12.192 -7.214 36 HE3 TRP 8 HE3 TRP 8 0.036 7.752 -5.581 37 HZ2 TRP 8 HZ2 TRP 8 -0.073 12.694 -6.239 38 HZ3 TRP 8 HZ3 TRP 8 -1.946 9.076 -4.971 39 HH2 TRP 8 HH2 TRP 8 -1.997 11.496 -5.293 40 H THR 9 H THR 9 3.616 5.388 -3.504 41 HA THR 9 HA THR 9 3.451 2.978 -5.109 42 HB THR 9 HB THR 9 5.769 2.258 -4.402 43 HG1 THR 9 HG1 THR 9 6.221 5.046 -4.067 44 HG21 THR 9 3HG2 THR 9 5.578 4.617 -6.278 45 HG22 THR 9 1HG2 THR 9 5.267 2.934 -6.701 46 HG23 THR 9 2HG2 THR 9 6.890 3.440 -6.232 47 H CYS 10 H CYS 10 3.256 1.099 -3.890 48 HA CYS 10 HA CYS 10 2.710 1.555 -1.046 49 HB2 CYS 10 1HB CYS 10 1.759 -0.455 -3.057 50 HB3 CYS 10 2HB CYS 10 1.687 -0.840 -1.340 51 H ASN 11 H ASN 11 3.506 0.149 0.556 52 HA ASN 11 HA ASN 11 5.883 -1.391 -0.259 53 HB2 ASN 11 1HB ASN 11 5.401 0.227 2.248 54 HB3 ASN 11 2HB ASN 11 6.754 -0.884 2.053 55 HD21 ASN 11 1HD2 ASN 11 6.427 2.130 2.313 56 HD22 ASN 11 2HD2 ASN 11 7.411 2.759 1.040 57 H LYS 12 H LYS 12 6.469 -3.157 1.268 58 HA LYS 12 HA LYS 12 4.438 -5.016 1.533 59 HB2 LYS 12 1HB LYS 12 7.166 -4.743 2.714 60 HB3 LYS 12 2HB LYS 12 6.100 -5.993 3.346 61 HG2 LYS 12 1HG LYS 12 7.245 -7.134 1.718 62 HG3 LYS 12 2HG LYS 12 5.800 -6.626 0.842 63 HD2 LYS 12 1HD LYS 12 7.113 -4.618 0.069 64 HD3 LYS 12 2HD LYS 12 8.547 -5.390 0.751 65 HE2 LYS 12 1HE LYS 12 6.798 -6.864 -1.181 66 HE3 LYS 12 2HE LYS 12 7.996 -5.711 -1.765 67 HZ1 LYS 12 3HZ LYS 12 9.734 -6.961 -0.786 68 HZ2 LYS 12 1HZ LYS 12 8.769 -8.063 -1.632 69 HZ3 LYS 12 2HZ LYS 12 8.655 -7.959 0.052 70 H PHE 13 H PHE 13 5.766 -2.831 3.993 71 HA PHE 13 HA PHE 13 4.167 -3.756 6.125 72 HB2 PHE 13 1HB PHE 13 6.281 -2.187 6.089 73 HB3 PHE 13 2HB PHE 13 5.076 -0.907 5.990 74 HD1 PHE 13 HD1 PHE 13 5.736 -4.005 7.965 75 HD2 PHE 13 HD2 PHE 13 4.376 0.029 7.959 76 HE1 PHE 13 HE1 PHE 13 5.439 -4.104 10.406 77 HE2 PHE 13 HE2 PHE 13 4.078 -0.065 10.400 78 HZ PHE 13 HZ PHE 13 4.611 -2.132 11.627 79 H ARG 14 H ARG 14 3.832 -0.819 4.126 80 HA ARG 14 HA ARG 14 1.502 0.197 5.101 81 HB2 ARG 14 1HB ARG 14 2.579 0.081 2.299 82 HB3 ARG 14 2HB ARG 14 1.042 0.865 2.639 83 HG2 ARG 14 1HG ARG 14 2.025 2.559 3.864 84 HG3 ARG 14 2HG ARG 14 3.478 1.614 4.194 85 HD2 ARG 14 1HD ARG 14 4.420 2.099 2.173 86 HD3 ARG 14 2HD ARG 14 2.860 2.253 1.363 87 HE ARG 14 HE ARG 14 2.838 4.392 2.956 88 HH11 ARG 14 1HH1 ARG 14 5.311 3.133 0.854 89 HH12 ARG 14 2HH1 ARG 14 5.999 4.688 0.516 90 HH21 ARG 14 1HH2 ARG 14 3.734 6.443 2.520 91 HH22 ARG 14 2HH2 ARG 14 5.102 6.570 1.466 92 H CYS 15 H CYS 15 1.773 -2.313 2.593 93 HA CYS 15 HA CYS 15 -0.744 -2.781 1.828 94 HB2 CYS 15 1HB CYS 15 1.197 -4.913 2.749 95 HB3 CYS 15 2HB CYS 15 -0.225 -5.208 1.753 96 H GLY 16 H GLY 16 -2.474 -2.422 3.111 97 HA2 GLY 16 1HA GLY 16 -4.149 -3.240 4.529 98 HA3 GLY 16 2HA GLY 16 -2.990 -4.374 5.208 99 H GLU 17 H GLU 17 -2.988 -0.824 4.913 100 HA GLU 17 HA GLU 17 -2.449 -0.693 7.802 101 HB2 GLU 17 1HB GLU 17 -1.465 1.518 7.355 102 HB3 GLU 17 2HB GLU 17 -0.667 0.248 6.438 103 HG2 GLU 17 1HG GLU 17 -1.837 0.890 4.436 104 HG3 GLU 17 2HG GLU 17 -2.784 2.078 5.331 105 H LYS 18 H LYS 18 -3.293 1.283 8.904 106 HA LYS 18 HA LYS 18 -5.855 2.184 7.777 107 HB2 LYS 18 1HB LYS 18 -6.914 1.961 9.971 108 HB3 LYS 18 2HB LYS 18 -6.323 0.407 9.396 109 HG2 LYS 18 1HG LYS 18 -4.610 2.059 11.196 110 HG3 LYS 18 2HG LYS 18 -5.947 1.121 11.868 111 HD2 LYS 18 1HD LYS 18 -4.050 -0.213 9.993 112 HD3 LYS 18 2HD LYS 18 -3.534 0.090 11.654 113 HE2 LYS 18 1HE LYS 18 -5.221 -1.262 12.545 114 HE3 LYS 18 2HE LYS 18 -6.157 -1.233 11.051 115 HZ1 LYS 18 3HZ LYS 18 -4.397 -3.182 11.845 116 HZ2 LYS 18 1HZ LYS 18 -3.569 -2.339 10.634 117 HZ3 LYS 18 2HZ LYS 18 -5.087 -3.012 10.310 118 H ARG 19 H ARG 19 -6.728 3.911 9.591 119 HA ARG 19 HA ARG 19 -6.472 6.180 9.944 120 HB2 ARG 19 1HB ARG 19 -5.075 6.609 11.884 121 HB3 ARG 19 2HB ARG 19 -5.934 5.088 12.091 122 HG2 ARG 19 1HG ARG 19 -3.838 3.942 11.265 123 HG3 ARG 19 2HG ARG 19 -3.034 5.504 11.440 124 HD2 ARG 19 1HD ARG 19 -2.588 4.504 13.473 125 HD3 ARG 19 2HD ARG 19 -4.029 5.452 13.839 126 HE ARG 19 HE ARG 19 -5.075 3.077 13.158 127 HH11 ARG 19 1HH1 ARG 19 -2.495 3.953 15.325 128 HH12 ARG 19 2HH1 ARG 19 -2.760 2.613 16.391 129 HH21 ARG 19 1HH2 ARG 19 -5.433 1.308 14.553 130 HH22 ARG 19 2HH2 ARG 19 -4.431 1.108 15.950 131 H LEU 20 H LEU 20 -5.317 5.666 7.532 132 HA LEU 20 HA LEU 20 -2.705 7.005 7.593 133 HB2 LEU 20 1HB LEU 20 -2.490 6.249 5.260 134 HB3 LEU 20 2HB LEU 20 -2.704 4.922 6.400 135 HG LEU 20 HG LEU 20 -5.103 5.971 4.979 136 HD11 LEU 20 1HD1 LEU 20 -4.312 3.961 3.335 137 HD12 LEU 20 2HD1 LEU 20 -2.773 4.750 3.684 138 HD13 LEU 20 3HD1 LEU 20 -4.105 5.680 2.994 139 HD21 LEU 20 3HD2 LEU 20 -4.622 3.099 5.218 140 HD22 LEU 20 1HD2 LEU 20 -6.032 4.058 5.671 141 HD23 LEU 20 2HD2 LEU 20 -4.652 3.948 6.764 142 H THR 21 H THR 21 -4.153 8.943 8.158 143 HA THR 21 HA THR 21 -5.821 10.148 6.263 144 HB THR 21 HB THR 21 -5.271 12.300 7.464 145 HG1 THR 21 HG1 THR 21 -3.914 10.769 9.385 146 HG21 THR 21 3HG2 THR 21 -5.909 10.125 9.433 147 HG22 THR 21 1HG2 THR 21 -7.033 10.544 8.140 148 HG23 THR 21 2HG2 THR 21 -6.570 11.758 9.332 149 H ARG 22 H ARG 22 -2.393 10.846 6.969 150 HA ARG 22 HA ARG 22 -2.183 12.372 4.500 151 HB2 ARG 22 1HB ARG 22 -1.145 13.134 6.668 152 HB3 ARG 22 2HB ARG 22 -0.018 11.793 6.523 153 HG2 ARG 22 1HG ARG 22 1.002 12.710 4.620 154 HG3 ARG 22 2HG ARG 22 -0.320 13.851 4.364 155 HD2 ARG 22 1HD ARG 22 0.299 14.920 6.542 156 HD3 ARG 22 2HD ARG 22 1.720 13.878 6.580 157 HE ARG 22 HE ARG 22 1.427 15.464 4.182 158 HH11 ARG 22 1HH1 ARG 22 2.773 15.257 7.385 159 HH12 ARG 22 2HH1 ARG 22 4.014 16.426 7.081 160 HH21 ARG 22 1HH2 ARG 22 3.058 17.005 3.768 161 HH22 ARG 22 2HH2 ARG 22 4.174 17.422 5.024 162 H SER 23 H SER 23 -2.204 10.963 2.807 163 HA SER 23 HA SER 23 0.193 9.506 2.273 164 HB2 SER 23 1HB SER 23 -0.879 7.276 2.019 165 HB3 SER 23 2HB SER 23 -0.864 7.834 3.692 166 HG SER 23 HG SER 23 -3.092 8.454 2.131 167 H LEU 24 H LEU 24 0.542 9.866 0.194 168 HA LEU 24 HA LEU 24 -1.147 11.048 -1.597 169 HB2 LEU 24 1HB LEU 24 1.148 9.163 -2.023 170 HB3 LEU 24 2HB LEU 24 0.288 9.893 -3.377 171 HG LEU 24 HG LEU 24 1.483 11.615 -1.238 172 HD11 LEU 24 1HD1 LEU 24 3.180 11.365 -3.550 173 HD12 LEU 24 2HD1 LEU 24 2.992 9.812 -2.738 174 HD13 LEU 24 3HD1 LEU 24 3.581 11.210 -1.840 175 HD21 LEU 24 3HD2 LEU 24 1.079 13.309 -2.659 176 HD22 LEU 24 1HD2 LEU 24 -0.079 12.188 -3.376 177 HD23 LEU 24 2HD2 LEU 24 1.529 12.365 -4.080 178 H CYS 25 H CYS 25 -0.592 7.552 -1.243 179 HA CYS 25 HA CYS 25 -3.160 7.104 -2.616 180 HB2 CYS 25 1HB CYS 25 -2.269 5.080 -3.604 181 HB3 CYS 25 2HB CYS 25 -1.223 6.435 -4.018 182 H ALA 26 H ALA 26 -4.286 5.136 -1.993 183 HA ALA 26 HA ALA 26 -3.952 4.608 0.861 184 HB1 ALA 26 3HB ALA 26 -6.208 3.312 0.297 185 HB2 ALA 26 1HB ALA 26 -6.163 5.048 0.602 186 HB3 ALA 26 2HB ALA 26 -6.203 4.444 -1.055 187 H CYS 27 H CYS 27 -2.601 2.990 1.320 188 HA CYS 27 HA CYS 27 -2.414 0.687 -0.461 189 HB2 CYS 27 1HB CYS 27 -0.797 1.557 1.937 190 HB3 CYS 27 2HB CYS 27 -0.540 0.026 1.108 191 H SER 28 H SER 28 -4.860 0.937 0.892 192 HA SER 28 HA SER 28 -4.722 -1.368 2.724 193 HB2 SER 28 1HB SER 28 -6.639 -0.424 3.949 194 HB3 SER 28 2HB SER 28 -5.263 0.679 3.969 195 HG SER 28 HG SER 28 -7.010 1.905 3.444 196 H ASP 29 H ASP 29 -7.125 -2.245 2.985 197 HA ASP 29 HA ASP 29 -7.833 -3.271 0.421 198 HB2 ASP 29 1HB ASP 29 -8.223 -4.823 2.091 199 HB3 ASP 29 2HB ASP 29 -8.852 -3.616 3.210 200 H ASP 30 H ASP 30 -9.459 -1.095 2.714 201 HA ASP 30 HA ASP 30 -11.839 -0.636 1.504 202 HB2 ASP 30 1HB ASP 30 -9.982 1.114 3.042 203 HB3 ASP 30 2HB ASP 30 -11.340 1.883 2.224 204 H CYS 31 H CYS 31 -8.730 0.768 0.563 205 HA CYS 31 HA CYS 31 -9.396 2.635 -1.276 206 HB2 CYS 31 1HB CYS 31 -7.285 2.385 -2.186 207 HB3 CYS 31 2HB CYS 31 -7.076 1.589 -0.630 208 H LYS 32 H LYS 32 -9.538 -0.861 -1.735 209 HA LYS 32 HA LYS 32 -10.034 -0.994 -4.453 210 HB2 LYS 32 1HB LYS 32 -10.791 -2.695 -2.121 211 HB3 LYS 32 2HB LYS 32 -11.538 -3.032 -3.677 212 HG2 LYS 32 1HG LYS 32 -9.737 -4.399 -3.833 213 HG3 LYS 32 2HG LYS 32 -9.024 -2.927 -4.496 214 HD2 LYS 32 1HD LYS 32 -7.818 -2.487 -2.566 215 HD3 LYS 32 2HD LYS 32 -8.886 -3.464 -1.556 216 HE2 LYS 32 1HE LYS 32 -7.984 -5.394 -3.138 217 HE3 LYS 32 2HE LYS 32 -6.620 -4.287 -3.294 218 HZ1 LYS 32 3HZ LYS 32 -7.707 -5.178 -0.682 219 HZ2 LYS 32 1HZ LYS 32 -6.264 -4.342 -0.966 220 HZ3 LYS 32 2HZ LYS 32 -6.423 -5.950 -1.467 221 H ASP 33 H ASP 33 -12.333 -0.476 -1.805 222 HA ASP 33 HA ASP 33 -14.632 -0.384 -3.481 223 HB2 ASP 33 1HB ASP 33 -14.444 -0.766 -0.902 224 HB3 ASP 33 2HB ASP 33 -14.504 0.993 -0.819 225 H GLN 34 H GLN 34 -13.043 2.234 -1.646 226 HA GLN 34 HA GLN 34 -14.386 4.352 -2.829 227 HB2 GLN 34 1HB GLN 34 -11.613 4.197 -1.654 228 HB3 GLN 34 2HB GLN 34 -12.347 5.708 -2.173 229 HG2 GLN 34 1HG GLN 34 -12.523 5.259 0.262 230 HG3 GLN 34 2HG GLN 34 -14.069 5.524 -0.544 231 HE21 GLN 34 1HE2 GLN 34 -15.591 4.232 0.168 232 HE22 GLN 34 2HE2 GLN 34 -15.390 2.597 0.684 233 H GLY 35 H GLY 35 -11.048 3.341 -3.612 234 HA2 GLY 35 1HA GLY 35 -10.579 2.878 -6.005 235 HA3 GLY 35 2HA GLY 35 -11.542 4.302 -6.364 236 H ASP 36 H ASP 36 -9.110 3.901 -3.826 237 HA ASP 36 HA ASP 36 -7.436 5.883 -5.217 238 HB2 ASP 36 1HB ASP 36 -8.136 5.774 -2.280 239 HB3 ASP 36 2HB ASP 36 -6.839 6.770 -2.936 240 H CYS 37 H CYS 37 -7.081 3.125 -5.438 241 HA CYS 37 HA CYS 37 -5.038 2.296 -3.571 242 HB2 CYS 37 1HB CYS 37 -5.828 0.931 -6.146 243 HB3 CYS 37 2HB CYS 37 -5.027 0.214 -4.752 244 H CYS 38 H CYS 38 -2.885 2.370 -3.851 245 HA CYS 38 HA CYS 38 -1.628 4.140 -5.498 246 HB2 CYS 38 1HB CYS 38 -0.353 1.521 -4.709 247 HB3 CYS 38 2HB CYS 38 0.435 3.076 -4.954 248 H ILE 39 H ILE 39 0.055 3.571 -7.227 249 HA ILE 39 HA ILE 39 -1.317 2.538 -9.480 250 HB ILE 39 HB ILE 39 0.384 4.284 -9.699 251 HG12 ILE 39 1HG1 ILE 39 1.483 1.910 -11.170 252 HG13 ILE 39 2HG1 ILE 39 -0.149 2.475 -11.508 253 HG21 ILE 39 1HG2 ILE 39 2.666 3.967 -9.289 254 HG22 ILE 39 2HG2 ILE 39 1.865 3.217 -7.910 255 HG23 ILE 39 3HG2 ILE 39 2.499 2.213 -9.213 256 HD11 ILE 39 3HD1 ILE 39 2.090 3.349 -12.756 257 HD12 ILE 39 1HD1 ILE 39 0.578 4.250 -12.651 258 HD13 ILE 39 2HD1 ILE 39 1.883 4.579 -11.510 259 H ASN 40 H ASN 40 1.355 1.282 -7.507 260 HA ASN 40 HA ASN 40 0.986 -1.335 -8.808 261 HB2 ASN 40 1HB ASN 40 3.335 -1.741 -7.743 262 HB3 ASN 40 2HB ASN 40 3.208 -0.793 -9.222 263 HD21 ASN 40 1HD2 ASN 40 3.126 -0.366 -5.703 264 HD22 ASN 40 2HD2 ASN 40 4.042 1.100 -5.689 265 H TYR 41 H TYR 41 -0.836 -0.756 -6.904 266 HA TYR 41 HA TYR 41 -0.135 -1.404 -4.260 267 HB2 TYR 41 1HB TYR 41 -2.227 -0.303 -4.706 268 HB3 TYR 41 2HB TYR 41 -2.767 -1.631 -5.726 269 HD1 TYR 41 HD2 TYR 41 -3.483 -3.755 -4.725 270 HD2 TYR 41 HD1 TYR 41 -2.352 -0.443 -2.305 271 HE1 TYR 41 HE2 TYR 41 -4.547 -4.821 -2.780 272 HE2 TYR 41 HE1 TYR 41 -3.412 -1.500 -0.354 273 HH TYR 41 HH TYR 41 -4.200 -3.524 0.443 274 H SER 42 H SER 42 -1.673 -3.425 -6.762 275 HA SER 42 HA SER 42 -1.487 -5.814 -5.225 276 HB2 SER 42 1HB SER 42 -2.120 -6.943 -7.356 277 HB3 SER 42 2HB SER 42 -3.191 -5.606 -6.940 278 HG SER 42 HG SER 42 -2.341 -5.771 -9.198 279 H SER 43 H SER 43 0.444 -4.414 -7.837 280 HA SER 43 HA SER 43 2.154 -6.524 -8.362 281 HB2 SER 43 1HB SER 43 2.200 -4.538 -9.733 282 HB3 SER 43 2HB SER 43 2.719 -3.552 -8.366 283 HG SER 43 HG SER 43 4.661 -4.771 -8.338 284 H VAL 44 H VAL 44 2.290 -4.132 -5.774 285 HA VAL 44 HA VAL 44 4.765 -5.250 -4.733 286 HB VAL 44 HB VAL 44 3.025 -3.023 -3.663 287 HG11 VAL 44 1HG1 VAL 44 5.836 -3.225 -2.828 288 HG12 VAL 44 2HG1 VAL 44 4.400 -2.793 -1.896 289 HG13 VAL 44 3HG1 VAL 44 4.775 -4.489 -2.206 290 HG21 VAL 44 3HG2 VAL 44 4.569 -1.503 -4.614 291 HG22 VAL 44 1HG2 VAL 44 5.707 -2.793 -5.006 292 HG23 VAL 44 2HG2 VAL 44 4.183 -2.664 -5.884 293 H CYS 45 H CYS 45 1.430 -4.766 -3.573 294 HA CYS 45 HA CYS 45 1.813 -6.343 -1.228 295 HB2 CYS 45 1HB CYS 45 -0.720 -5.412 -2.597 296 HB3 CYS 45 2HB CYS 45 -0.662 -6.176 -1.012 297 H GLN 46 H GLN 46 -0.286 -6.920 -4.058 298 HA GLN 46 HA GLN 46 -0.624 -9.677 -3.452 299 HB2 GLN 46 1HB GLN 46 -1.223 -8.030 -5.905 300 HB3 GLN 46 2HB GLN 46 -1.568 -9.752 -5.817 301 HG2 GLN 46 1HG GLN 46 -2.809 -9.030 -3.603 302 HG3 GLN 46 2HG GLN 46 -2.878 -7.478 -4.434 303 HE21 GLN 46 1HE2 GLN 46 -5.163 -8.850 -3.795 304 HE22 GLN 46 2HE2 GLN 46 -5.919 -9.423 -5.238 305 H GLY 47 H GLY 47 1.540 -10.439 -3.230 306 HA2 GLY 47 1HA GLY 47 2.557 -11.804 -5.422 307 HA3 GLY 47 2HA GLY 47 3.446 -10.290 -5.331 308 H GLU 48 H GLU 48 4.992 -10.013 -3.780 309 HA GLU 48 HA GLU 48 6.684 -10.738 -2.422 310 HB2 GLU 48 1HB GLU 48 4.734 -10.222 -0.871 311 HB3 GLU 48 2HB GLU 48 4.456 -11.957 -0.796 312 HG2 GLU 48 1HG GLU 48 5.722 -11.280 1.118 313 HG3 GLU 48 2HG GLU 48 6.746 -12.255 0.067 314 H LYS 49 H LYS 49 6.459 -12.434 -4.534 315 HA LYS 49 HA LYS 49 6.907 -15.076 -3.308 316 HB2 LYS 49 1HB LYS 49 5.493 -14.321 -5.837 317 HB3 LYS 49 2HB LYS 49 6.303 -15.878 -5.730 318 HG2 LYS 49 1HG LYS 49 4.938 -16.518 -3.856 319 HG3 LYS 49 2HG LYS 49 4.200 -14.915 -3.803 320 HD2 LYS 49 1HD LYS 49 2.590 -16.028 -4.978 321 HD3 LYS 49 2HD LYS 49 3.614 -15.506 -6.318 322 HE2 LYS 49 1HE LYS 49 4.214 -18.112 -5.015 323 HE3 LYS 49 2HE LYS 49 2.807 -18.014 -6.073 324 HZ1 LYS 49 3HZ LYS 49 4.768 -18.704 -7.291 325 HZ2 LYS 49 1HZ LYS 49 5.591 -17.301 -6.822 326 HZ3 LYS 49 2HZ LYS 49 4.243 -17.191 -7.837 327 H SER 50 H SER 50 8.483 -16.430 -4.388 328 HA SER 50 HA SER 50 10.660 -14.824 -5.509 329 HB2 SER 50 1HB SER 50 11.057 -16.288 -3.497 330 HB3 SER 50 2HB SER 50 10.780 -17.686 -4.536 331 HG SER 50 HG SER 50 12.901 -17.444 -4.718 332 H SER 51 H SER 51 8.537 -15.328 -7.238 333 HA SER 51 HA SER 51 9.854 -17.060 -9.212 334 HB2 SER 51 1HB SER 51 8.025 -18.378 -8.321 335 HB3 SER 51 2HB SER 51 6.899 -17.041 -8.553 336 HG SER 51 HG SER 51 7.509 -17.233 -10.857 337 H GLY 52 H GLY 52 10.067 -16.157 -11.167 338 HA2 GLY 52 1HA GLY 52 8.300 -14.552 -12.534 339 HA3 GLY 52 2HA GLY 52 9.258 -13.443 -11.565 340 HA PRO 53 HA PRO 53 11.463 -15.041 -15.545 341 HB2 PRO 53 1HB PRO 53 10.572 -13.277 -17.406 342 HB3 PRO 53 2HB PRO 53 9.797 -14.839 -17.114 343 HG2 PRO 53 1HG PRO 53 9.017 -12.123 -16.126 344 HG3 PRO 53 2HG PRO 53 7.989 -13.418 -16.767 345 HD2 PRO 53 1HD PRO 53 8.247 -12.942 -14.114 346 HD3 PRO 53 2HD PRO 53 7.978 -14.569 -14.770 347 H SER 54 H SER 54 11.179 -12.402 -13.587 348 HA SER 54 HA SER 54 12.408 -10.239 -14.551 349 HB2 SER 54 1HB SER 54 13.211 -11.630 -11.983 350 HB3 SER 54 2HB SER 54 13.538 -9.941 -12.373 351 HG SER 54 HG SER 54 11.417 -9.476 -12.207 352 H SER 55 H SER 55 14.158 -13.186 -13.602 353 HA SER 55 HA SER 55 16.138 -14.059 -14.320 354 HB2 SER 55 1HB SER 55 15.262 -13.322 -16.591 355 HB3 SER 55 2HB SER 55 16.243 -11.869 -16.397 356 HG SER 55 HG SER 55 18.055 -13.050 -16.536 357 H GLY 56 H GLY 56 16.145 -12.321 -12.173 358 HA2 GLY 56 1HA GLY 56 18.774 -11.020 -12.506 359 HA3 GLY 56 2HA GLY 56 17.471 -10.228 -11.634 Start of MODEL 6 1 H1 GLY 1 H GLY 1 18.281 3.225 -13.635 2 HA2 GLY 1 1HA GLY 1 17.330 3.035 -11.510 3 HA3 GLY 1 2HA GLY 1 16.049 4.127 -12.010 4 H SER 2 H SER 2 15.683 1.719 -10.544 5 HA SER 2 HA SER 2 14.854 -0.408 -12.225 6 HB2 SER 2 1HB SER 2 14.314 0.284 -9.343 7 HB3 SER 2 2HB SER 2 13.574 -1.121 -10.109 8 HG SER 2 HG SER 2 15.747 -1.789 -10.646 9 H SER 3 H SER 3 13.126 2.257 -10.660 10 HA SER 3 HA SER 3 11.161 2.400 -12.685 11 HB2 SER 3 1HB SER 3 10.443 0.295 -11.480 12 HB3 SER 3 2HB SER 3 10.119 1.299 -10.068 13 HG SER 3 HG SER 3 8.231 1.484 -10.997 14 H GLY 4 H GLY 4 10.543 4.457 -12.720 15 HA2 GLY 4 1HA GLY 4 11.309 6.340 -10.804 16 HA3 GLY 4 2HA GLY 4 10.099 6.606 -12.050 17 H SER 5 H SER 5 10.504 6.956 -8.913 18 HA SER 5 HA SER 5 7.798 6.039 -8.199 19 HB2 SER 5 1HB SER 5 10.295 6.420 -6.568 20 HB3 SER 5 2HB SER 5 8.709 6.439 -5.797 21 HG SER 5 HG SER 5 8.840 4.352 -5.841 22 H SER 6 H SER 6 6.927 7.942 -9.247 23 HA SER 6 HA SER 6 7.546 10.527 -8.091 24 HB2 SER 6 1HB SER 6 7.100 10.333 -10.509 25 HB3 SER 6 2HB SER 6 5.469 9.761 -10.158 26 HG SER 6 HG SER 6 6.356 12.276 -10.320 27 H GLY 7 H GLY 7 6.578 8.753 -6.181 28 HA2 GLY 7 1HA GLY 7 5.129 8.847 -4.390 29 HA3 GLY 7 2HA GLY 7 4.402 10.271 -5.117 30 H TRP 8 H TRP 8 4.668 7.186 -6.757 31 HA TRP 8 HA TRP 8 1.794 6.730 -6.349 32 HB2 TRP 8 1HB TRP 8 3.260 6.735 -8.992 33 HB3 TRP 8 2HB TRP 8 1.648 6.058 -8.772 34 HD1 TRP 8 HD1 TRP 8 3.456 9.320 -9.292 35 HE1 TRP 8 HE1 TRP 8 1.746 11.237 -9.436 36 HE3 TRP 8 HE3 TRP 8 -0.725 6.793 -7.783 37 HZ2 TRP 8 HZ2 TRP 8 -1.012 11.627 -8.972 38 HZ3 TRP 8 HZ3 TRP 8 -2.859 8.012 -7.660 39 HH2 TRP 8 HH2 TRP 8 -2.996 10.379 -8.242 40 H THR 9 H THR 9 3.220 5.303 -4.792 41 HA THR 9 HA THR 9 3.091 2.626 -5.876 42 HB THR 9 HB THR 9 5.393 2.029 -5.105 43 HG1 THR 9 HG1 THR 9 5.412 4.775 -4.580 44 HG21 THR 9 3HG2 THR 9 4.778 2.552 -7.501 45 HG22 THR 9 1HG2 THR 9 6.485 2.732 -7.096 46 HG23 THR 9 2HG2 THR 9 5.457 4.159 -7.237 47 H CYS 10 H CYS 10 3.724 0.995 -4.112 48 HA CYS 10 HA CYS 10 3.108 2.032 -1.436 49 HB2 CYS 10 1HB CYS 10 1.740 -0.290 -2.803 50 HB3 CYS 10 2HB CYS 10 1.615 0.044 -1.079 51 H ASN 11 H ASN 11 4.321 1.182 0.147 52 HA ASN 11 HA ASN 11 6.258 -0.875 -0.593 53 HB2 ASN 11 1HB ASN 11 6.771 1.401 0.609 54 HB3 ASN 11 2HB ASN 11 6.266 0.530 2.053 55 HD21 ASN 11 1HD2 ASN 11 8.831 1.552 1.676 56 HD22 ASN 11 2HD2 ASN 11 9.941 0.232 1.580 57 H LYS 12 H LYS 12 6.790 -2.559 1.019 58 HA LYS 12 HA LYS 12 4.797 -4.299 1.547 59 HB2 LYS 12 1HB LYS 12 7.374 -3.783 2.990 60 HB3 LYS 12 2HB LYS 12 6.270 -5.016 3.583 61 HG2 LYS 12 1HG LYS 12 7.692 -6.227 2.234 62 HG3 LYS 12 2HG LYS 12 6.336 -5.900 1.152 63 HD2 LYS 12 1HD LYS 12 7.530 -4.417 -0.119 64 HD3 LYS 12 2HD LYS 12 8.579 -3.948 1.221 65 HE2 LYS 12 1HE LYS 12 9.883 -5.188 -0.360 66 HE3 LYS 12 2HE LYS 12 9.658 -6.186 1.076 67 HZ1 LYS 12 3HZ LYS 12 9.012 -6.806 -1.566 68 HZ2 LYS 12 1HZ LYS 12 7.556 -6.689 -0.713 69 HZ3 LYS 12 2HZ LYS 12 8.762 -7.750 -0.184 70 H PHE 13 H PHE 13 6.083 -2.107 4.054 71 HA PHE 13 HA PHE 13 4.135 -2.630 5.974 72 HB2 PHE 13 1HB PHE 13 5.651 -0.049 5.537 73 HB3 PHE 13 2HB PHE 13 4.830 -0.521 7.021 74 HD1 PHE 13 HD2 PHE 13 5.641 -2.625 8.205 75 HD2 PHE 13 HD1 PHE 13 7.864 -0.651 5.160 76 HE1 PHE 13 HE2 PHE 13 7.692 -3.736 8.987 77 HE2 PHE 13 HE1 PHE 13 9.919 -1.761 5.935 78 HZ PHE 13 HZ PHE 13 9.836 -3.304 7.852 79 H ARG 14 H ARG 14 4.261 -0.021 3.559 80 HA ARG 14 HA ARG 14 2.002 1.384 4.190 81 HB2 ARG 14 1HB ARG 14 3.020 0.666 1.436 82 HB3 ARG 14 2HB ARG 14 1.819 1.908 1.759 83 HG2 ARG 14 1HG ARG 14 4.487 2.013 3.099 84 HG3 ARG 14 2HG ARG 14 4.294 2.578 1.438 85 HD2 ARG 14 1HD ARG 14 2.231 3.852 2.527 86 HD3 ARG 14 2HD ARG 14 3.230 3.702 3.972 87 HE ARG 14 HE ARG 14 4.576 4.755 1.637 88 HH11 ARG 14 1HH1 ARG 14 2.815 5.460 4.556 89 HH12 ARG 14 2HH1 ARG 14 3.425 7.076 4.688 90 HH21 ARG 14 1HH2 ARG 14 5.386 6.881 1.800 91 HH22 ARG 14 2HH2 ARG 14 4.886 7.884 3.119 92 H CYS 15 H CYS 15 2.142 -1.445 2.026 93 HA CYS 15 HA CYS 15 -0.508 -1.673 1.360 94 HB2 CYS 15 1HB CYS 15 1.609 -3.754 1.843 95 HB3 CYS 15 2HB CYS 15 -0.022 -4.216 1.368 96 H GLY 16 H GLY 16 -1.866 -1.052 3.054 97 HA2 GLY 16 1HA GLY 16 -3.504 -2.094 4.495 98 HA3 GLY 16 2HA GLY 16 -2.229 -3.136 5.109 99 H GLU 17 H GLU 17 -2.144 0.372 4.643 100 HA GLU 17 HA GLU 17 -1.534 0.643 7.503 101 HB2 GLU 17 1HB GLU 17 -0.497 2.763 6.942 102 HB3 GLU 17 2HB GLU 17 0.154 1.494 5.914 103 HG2 GLU 17 1HG GLU 17 -1.054 2.248 4.042 104 HG3 GLU 17 2HG GLU 17 -2.080 3.289 5.027 105 H LYS 18 H LYS 18 -2.558 2.207 8.773 106 HA LYS 18 HA LYS 18 -5.169 3.069 7.735 107 HB2 LYS 18 1HB LYS 18 -4.305 2.865 10.621 108 HB3 LYS 18 2HB LYS 18 -5.937 3.127 10.020 109 HG2 LYS 18 1HG LYS 18 -4.400 0.649 9.329 110 HG3 LYS 18 2HG LYS 18 -5.308 0.787 10.837 111 HD2 LYS 18 1HD LYS 18 -6.928 -0.121 9.511 112 HD3 LYS 18 2HD LYS 18 -7.216 1.588 9.181 113 HE2 LYS 18 1HE LYS 18 -5.409 1.133 7.291 114 HE3 LYS 18 2HE LYS 18 -6.019 -0.513 7.456 115 HZ1 LYS 18 3HZ LYS 18 -8.052 1.542 7.279 116 HZ2 LYS 18 1HZ LYS 18 -7.971 0.028 6.526 117 HZ3 LYS 18 2HZ LYS 18 -7.121 1.340 5.880 118 H ARG 19 H ARG 19 -2.960 4.584 6.998 119 HA ARG 19 HA ARG 19 -3.741 7.157 7.951 120 HB2 ARG 19 1HB ARG 19 -1.634 7.845 8.940 121 HB3 ARG 19 2HB ARG 19 -2.272 6.454 9.806 122 HG2 ARG 19 1HG ARG 19 -0.733 5.106 8.180 123 HG3 ARG 19 2HG ARG 19 0.105 6.651 8.026 124 HD2 ARG 19 1HD ARG 19 0.215 6.715 10.539 125 HD3 ARG 19 2HD ARG 19 -0.372 5.052 10.532 126 HE ARG 19 HE ARG 19 1.693 4.346 9.789 127 HH11 ARG 19 1HH1 ARG 19 1.506 7.820 9.683 128 HH12 ARG 19 2HH1 ARG 19 3.202 8.033 9.400 129 HH21 ARG 19 1HH2 ARG 19 3.928 4.613 9.416 130 HH22 ARG 19 2HH2 ARG 19 4.579 6.209 9.247 131 H LEU 20 H LEU 20 -2.596 8.904 6.839 132 HA LEU 20 HA LEU 20 -0.807 8.257 4.686 133 HB2 LEU 20 1HB LEU 20 -2.316 9.143 2.917 134 HB3 LEU 20 2HB LEU 20 -2.806 7.588 3.587 135 HG LEU 20 HG LEU 20 -4.031 10.099 4.648 136 HD11 LEU 20 1HD1 LEU 20 -4.881 8.690 2.122 137 HD12 LEU 20 2HD1 LEU 20 -4.204 10.315 2.227 138 HD13 LEU 20 3HD1 LEU 20 -5.777 9.967 2.946 139 HD21 LEU 20 3HD2 LEU 20 -5.571 7.639 4.137 140 HD22 LEU 20 1HD2 LEU 20 -5.573 8.715 5.535 141 HD23 LEU 20 2HD2 LEU 20 -4.298 7.512 5.350 142 H THR 21 H THR 21 0.599 9.867 4.781 143 HA THR 21 HA THR 21 -0.186 12.467 5.796 144 HB THR 21 HB THR 21 2.524 11.488 4.877 145 HG1 THR 21 HG1 THR 21 1.243 10.730 6.956 146 HG21 THR 21 3HG2 THR 21 2.324 13.925 4.773 147 HG22 THR 21 1HG2 THR 21 3.400 13.434 6.081 148 HG23 THR 21 2HG2 THR 21 1.753 13.954 6.441 149 H ARG 22 H ARG 22 -1.562 13.126 4.060 150 HA ARG 22 HA ARG 22 -2.074 14.155 2.093 151 HB2 ARG 22 1HB ARG 22 0.775 15.077 2.481 152 HB3 ARG 22 2HB ARG 22 -0.279 15.708 1.223 153 HG2 ARG 22 1HG ARG 22 -1.866 16.434 2.980 154 HG3 ARG 22 2HG ARG 22 -0.704 15.904 4.197 155 HD2 ARG 22 1HD ARG 22 0.037 17.861 2.044 156 HD3 ARG 22 2HD ARG 22 -0.717 18.382 3.550 157 HE ARG 22 HE ARG 22 1.987 17.413 3.193 158 HH11 ARG 22 1HH1 ARG 22 -0.593 18.103 5.428 159 HH12 ARG 22 2HH1 ARG 22 0.456 18.238 6.800 160 HH21 ARG 22 1HH2 ARG 22 3.378 17.588 4.992 161 HH22 ARG 22 2HH2 ARG 22 2.714 17.945 6.550 162 H SER 23 H SER 23 -1.356 11.466 1.814 163 HA SER 23 HA SER 23 0.513 11.143 -0.335 164 HB2 SER 23 1HB SER 23 -0.236 9.415 1.475 165 HB3 SER 23 2HB SER 23 -1.569 9.095 0.366 166 HG SER 23 HG SER 23 0.838 8.095 0.249 167 H LEU 24 H LEU 24 0.026 10.453 -2.475 168 HA LEU 24 HA LEU 24 -2.160 11.864 -3.646 169 HB2 LEU 24 1HB LEU 24 -0.087 9.987 -4.745 170 HB3 LEU 24 2HB LEU 24 -1.355 10.685 -5.752 171 HG LEU 24 HG LEU 24 0.563 12.388 -4.183 172 HD11 LEU 24 1HD1 LEU 24 0.883 11.555 -7.058 173 HD12 LEU 24 2HD1 LEU 24 1.782 10.842 -5.720 174 HD13 LEU 24 3HD1 LEU 24 1.974 12.553 -6.096 175 HD21 LEU 24 3HD2 LEU 24 -1.596 12.816 -6.133 176 HD22 LEU 24 1HD2 LEU 24 -0.126 13.751 -6.414 177 HD23 LEU 24 2HD2 LEU 24 -0.972 13.881 -4.872 178 H CYS 25 H CYS 25 -1.384 8.422 -3.238 179 HA CYS 25 HA CYS 25 -4.204 7.808 -3.836 180 HB2 CYS 25 1HB CYS 25 -3.236 5.468 -4.366 181 HB3 CYS 25 2HB CYS 25 -3.011 6.753 -5.548 182 H ALA 26 H ALA 26 -4.519 5.342 -2.928 183 HA ALA 26 HA ALA 26 -3.891 5.551 -0.057 184 HB1 ALA 26 3HB ALA 26 -5.949 4.611 0.466 185 HB2 ALA 26 1HB ALA 26 -6.326 5.655 -0.906 186 HB3 ALA 26 2HB ALA 26 -6.152 3.915 -1.141 187 H CYS 27 H CYS 27 -2.637 4.039 0.814 188 HA CYS 27 HA CYS 27 -2.116 1.596 -0.738 189 HB2 CYS 27 1HB CYS 27 -0.458 3.110 1.273 190 HB3 CYS 27 2HB CYS 27 -0.062 1.464 0.786 191 H SER 28 H SER 28 -4.457 1.711 0.777 192 HA SER 28 HA SER 28 -3.845 -0.236 2.901 193 HB2 SER 28 1HB SER 28 -5.687 0.655 4.231 194 HB3 SER 28 2HB SER 28 -4.533 1.940 3.870 195 HG SER 28 HG SER 28 -6.871 1.462 2.340 196 H ASP 29 H ASP 29 -6.094 -1.317 3.553 197 HA ASP 29 HA ASP 29 -6.880 -2.839 1.292 198 HB2 ASP 29 1HB ASP 29 -6.830 -3.717 3.621 199 HB3 ASP 29 2HB ASP 29 -8.213 -2.696 4.003 200 H ASP 30 H ASP 30 -8.088 0.042 2.761 201 HA ASP 30 HA ASP 30 -10.693 -0.139 1.513 202 HB2 ASP 30 1HB ASP 30 -9.323 1.872 3.268 203 HB3 ASP 30 2HB ASP 30 -10.786 2.316 2.394 204 H CYS 31 H CYS 31 -8.482 -0.261 -0.283 205 HA CYS 31 HA CYS 31 -8.579 2.335 -1.648 206 HB2 CYS 31 1HB CYS 31 -6.563 1.814 -2.669 207 HB3 CYS 31 2HB CYS 31 -6.386 1.017 -1.109 208 H LYS 32 H LYS 32 -9.419 -1.040 -1.985 209 HA LYS 32 HA LYS 32 -10.074 -0.922 -4.761 210 HB2 LYS 32 1HB LYS 32 -10.989 -2.894 -2.659 211 HB3 LYS 32 2HB LYS 32 -11.109 -3.112 -4.399 212 HG2 LYS 32 1HG LYS 32 -8.737 -3.231 -4.621 213 HG3 LYS 32 2HG LYS 32 -8.504 -2.763 -2.935 214 HD2 LYS 32 1HD LYS 32 -9.340 -4.821 -2.143 215 HD3 LYS 32 2HD LYS 32 -10.019 -5.240 -3.717 216 HE2 LYS 32 1HE LYS 32 -8.132 -6.523 -3.762 217 HE3 LYS 32 2HE LYS 32 -7.492 -5.036 -4.462 218 HZ1 LYS 32 3HZ LYS 32 -5.940 -5.533 -2.861 219 HZ2 LYS 32 1HZ LYS 32 -7.079 -6.145 -1.769 220 HZ3 LYS 32 2HZ LYS 32 -6.951 -4.476 -2.010 221 H ASP 33 H ASP 33 -11.967 -0.759 -1.766 222 HA ASP 33 HA ASP 33 -14.507 -0.620 -2.941 223 HB2 ASP 33 1HB ASP 33 -13.663 0.714 -0.363 224 HB3 ASP 33 2HB ASP 33 -15.286 0.201 -0.813 225 H GLN 34 H GLN 34 -12.299 1.976 -1.928 226 HA GLN 34 HA GLN 34 -14.027 4.045 -2.914 227 HB2 GLN 34 1HB GLN 34 -11.345 3.915 -1.639 228 HB3 GLN 34 2HB GLN 34 -11.714 5.344 -2.595 229 HG2 GLN 34 1HG GLN 34 -13.593 4.379 -0.477 230 HG3 GLN 34 2HG GLN 34 -12.200 5.381 -0.077 231 HE21 GLN 34 1HE2 GLN 34 -14.512 6.422 0.580 232 HE22 GLN 34 2HE2 GLN 34 -15.000 7.672 -0.509 233 H GLY 35 H GLY 35 -10.989 2.561 -4.001 234 HA2 GLY 35 1HA GLY 35 -10.571 2.152 -6.322 235 HA3 GLY 35 2HA GLY 35 -11.605 3.518 -6.712 236 H ASP 36 H ASP 36 -8.943 3.339 -4.380 237 HA ASP 36 HA ASP 36 -7.452 5.258 -6.041 238 HB2 ASP 36 1HB ASP 36 -8.702 6.118 -3.869 239 HB3 ASP 36 2HB ASP 36 -7.283 5.449 -3.066 240 H CYS 37 H CYS 37 -7.116 2.426 -5.921 241 HA CYS 37 HA CYS 37 -4.926 1.788 -4.192 242 HB2 CYS 37 1HB CYS 37 -5.801 0.295 -6.668 243 HB3 CYS 37 2HB CYS 37 -4.888 -0.341 -5.304 244 H CYS 38 H CYS 38 -2.996 2.693 -4.458 245 HA CYS 38 HA CYS 38 -1.956 4.071 -6.532 246 HB2 CYS 38 1HB CYS 38 -0.379 2.143 -4.814 247 HB3 CYS 38 2HB CYS 38 0.281 3.508 -5.710 248 H ILE 39 H ILE 39 -0.853 3.690 -8.421 249 HA ILE 39 HA ILE 39 -1.554 1.641 -10.068 250 HB ILE 39 HB ILE 39 -0.367 3.642 -10.846 251 HG12 ILE 39 1HG1 ILE 39 1.199 2.462 -12.454 252 HG13 ILE 39 2HG1 ILE 39 0.862 0.979 -11.569 253 HG21 ILE 39 1HG2 ILE 39 2.234 2.415 -10.024 254 HG22 ILE 39 2HG2 ILE 39 1.872 4.086 -10.454 255 HG23 ILE 39 3HG2 ILE 39 1.336 3.438 -8.904 256 HD11 ILE 39 3HD1 ILE 39 -0.539 1.966 -13.728 257 HD12 ILE 39 1HD1 ILE 39 -1.058 0.683 -12.635 258 HD13 ILE 39 2HD1 ILE 39 -1.564 2.349 -12.345 259 H ASN 40 H ASN 40 1.059 1.663 -7.719 260 HA ASN 40 HA ASN 40 1.727 -1.104 -8.456 261 HB2 ASN 40 1HB ASN 40 3.484 0.845 -8.291 262 HB3 ASN 40 2HB ASN 40 3.384 0.521 -6.562 263 HD21 ASN 40 1HD2 ASN 40 5.301 -0.404 -6.186 264 HD22 ASN 40 2HD2 ASN 40 5.864 -1.851 -6.945 265 H TYR 41 H TYR 41 -0.630 -0.698 -7.048 266 HA TYR 41 HA TYR 41 -0.067 -1.235 -4.243 267 HB2 TYR 41 1HB TYR 41 -1.907 0.272 -4.738 268 HB3 TYR 41 2HB TYR 41 -2.679 -0.950 -5.743 269 HD1 TYR 41 HD1 TYR 41 -1.939 0.088 -2.305 270 HD2 TYR 41 HD2 TYR 41 -3.875 -2.805 -4.750 271 HE1 TYR 41 HE1 TYR 41 -3.169 -0.740 -0.341 272 HE2 TYR 41 HE2 TYR 41 -5.110 -3.641 -2.794 273 HH TYR 41 HH TYR 41 -5.846 -2.602 -0.500 274 H SER 42 H SER 42 -1.697 -2.828 -6.973 275 HA SER 42 HA SER 42 -2.155 -5.262 -5.563 276 HB2 SER 42 1HB SER 42 -2.691 -6.170 -7.839 277 HB3 SER 42 2HB SER 42 -3.581 -4.704 -7.429 278 HG SER 42 HG SER 42 -2.779 -4.472 -9.494 279 H SER 43 H SER 43 0.419 -4.036 -7.593 280 HA SER 43 HA SER 43 1.731 -6.507 -8.043 281 HB2 SER 43 1HB SER 43 2.141 -4.483 -9.410 282 HB3 SER 43 2HB SER 43 2.909 -3.717 -8.019 283 HG SER 43 HG SER 43 3.860 -6.221 -8.771 284 H VAL 44 H VAL 44 2.079 -3.997 -5.577 285 HA VAL 44 HA VAL 44 4.220 -5.425 -4.248 286 HB VAL 44 HB VAL 44 2.713 -2.949 -3.396 287 HG11 VAL 44 1HG1 VAL 44 3.655 -3.303 -1.408 288 HG12 VAL 44 2HG1 VAL 44 4.638 -4.630 -2.030 289 HG13 VAL 44 3HG1 VAL 44 5.203 -2.966 -2.181 290 HG21 VAL 44 3HG2 VAL 44 4.377 -1.662 -4.361 291 HG22 VAL 44 1HG2 VAL 44 5.531 -2.994 -4.395 292 HG23 VAL 44 2HG2 VAL 44 4.187 -2.961 -5.537 293 H CYS 45 H CYS 45 0.889 -4.452 -3.437 294 HA CYS 45 HA CYS 45 0.815 -5.927 -1.008 295 HB2 CYS 45 1HB CYS 45 -1.542 -5.018 -2.669 296 HB3 CYS 45 2HB CYS 45 -1.533 -5.384 -0.946 297 H GLN 46 H GLN 46 -0.282 -6.586 -4.304 298 HA GLN 46 HA GLN 46 -0.773 -9.378 -3.499 299 HB2 GLN 46 1HB GLN 46 -2.099 -7.816 -5.722 300 HB3 GLN 46 2HB GLN 46 -2.391 -9.510 -5.353 301 HG2 GLN 46 1HG GLN 46 -3.152 -8.782 -3.078 302 HG3 GLN 46 2HG GLN 46 -3.062 -7.121 -3.661 303 HE21 GLN 46 1HE2 GLN 46 -5.223 -9.272 -2.926 304 HE22 GLN 46 2HE2 GLN 46 -6.413 -9.024 -4.153 305 H GLY 47 H GLY 47 -0.873 -10.681 -5.815 306 HA2 GLY 47 1HA GLY 47 1.007 -9.991 -7.785 307 HA3 GLY 47 2HA GLY 47 1.818 -10.961 -6.565 308 H GLU 48 H GLU 48 2.181 -12.567 -8.182 309 HA GLU 48 HA GLU 48 -0.230 -14.067 -8.955 310 HB2 GLU 48 1HB GLU 48 1.349 -13.165 -10.752 311 HB3 GLU 48 2HB GLU 48 2.501 -14.369 -10.191 312 HG2 GLU 48 1HG GLU 48 1.266 -16.128 -10.988 313 HG3 GLU 48 2HG GLU 48 -0.252 -15.234 -10.919 314 H LYS 49 H LYS 49 3.076 -14.428 -7.734 315 HA LYS 49 HA LYS 49 3.167 -17.169 -7.393 316 HB2 LYS 49 1HB LYS 49 4.916 -15.239 -6.904 317 HB3 LYS 49 2HB LYS 49 4.320 -15.428 -5.259 318 HG2 LYS 49 1HG LYS 49 5.124 -17.874 -6.736 319 HG3 LYS 49 2HG LYS 49 6.392 -16.790 -6.158 320 HD2 LYS 49 1HD LYS 49 5.608 -16.982 -3.897 321 HD3 LYS 49 2HD LYS 49 4.188 -17.893 -4.419 322 HE2 LYS 49 1HE LYS 49 5.583 -19.573 -3.675 323 HE3 LYS 49 2HE LYS 49 5.945 -19.543 -5.400 324 HZ1 LYS 49 3HZ LYS 49 7.544 -18.257 -3.254 325 HZ2 LYS 49 1HZ LYS 49 7.875 -18.146 -4.909 326 HZ3 LYS 49 2HZ LYS 49 7.972 -19.642 -4.127 327 H SER 50 H SER 50 2.650 -18.579 -5.721 328 HA SER 50 HA SER 50 0.222 -18.425 -4.521 329 HB2 SER 50 1HB SER 50 2.650 -19.764 -3.302 330 HB3 SER 50 2HB SER 50 0.964 -20.155 -2.960 331 HG SER 50 HG SER 50 1.183 -21.505 -4.552 332 H SER 51 H SER 51 3.262 -17.779 -2.763 333 HA SER 51 HA SER 51 2.352 -16.921 -0.377 334 HB2 SER 51 1HB SER 51 4.759 -16.972 -1.170 335 HB3 SER 51 2HB SER 51 4.477 -15.382 -1.877 336 HG SER 51 HG SER 51 3.808 -14.745 0.303 337 H GLY 52 H GLY 52 1.437 -15.121 0.534 338 HA2 GLY 52 1HA GLY 52 0.907 -12.738 0.391 339 HA3 GLY 52 2HA GLY 52 0.623 -12.976 -1.327 340 HA PRO 53 HA PRO 53 -3.661 -13.352 -0.431 341 HB2 PRO 53 1HB PRO 53 -4.460 -14.693 -2.652 342 HB3 PRO 53 2HB PRO 53 -4.012 -12.983 -2.671 343 HG2 PRO 53 1HG PRO 53 -2.391 -15.376 -3.453 344 HG3 PRO 53 2HG PRO 53 -2.536 -13.808 -4.269 345 HD2 PRO 53 1HD PRO 53 -0.424 -14.444 -2.697 346 HD3 PRO 53 2HD PRO 53 -1.044 -12.786 -2.841 347 H SER 54 H SER 54 -3.339 -14.794 1.392 348 HA SER 54 HA SER 54 -4.656 -17.294 1.036 349 HB2 SER 54 1HB SER 54 -2.901 -18.810 1.629 350 HB3 SER 54 2HB SER 54 -2.293 -17.823 0.301 351 HG SER 54 HG SER 54 -1.110 -16.622 1.766 352 H SER 55 H SER 55 -4.891 -18.473 3.113 353 HA SER 55 HA SER 55 -4.719 -16.610 5.391 354 HB2 SER 55 1HB SER 55 -6.838 -18.665 4.734 355 HB3 SER 55 2HB SER 55 -6.732 -17.835 6.285 356 HG SER 55 HG SER 55 -7.214 -15.934 5.311 357 H GLY 56 H GLY 56 -3.192 -17.233 6.765 358 HA2 GLY 56 1HA GLY 56 -2.594 -20.098 7.031 359 HA3 GLY 56 2HA GLY 56 -1.537 -18.781 7.515 Start of MODEL 7 1 H1 GLY 1 H GLY 1 23.188 6.548 0.342 2 HA2 GLY 1 1HA GLY 1 21.088 6.532 -1.695 3 HA3 GLY 1 2HA GLY 1 21.708 4.976 -1.165 4 H SER 2 H SER 2 19.084 6.611 -0.870 5 HA SER 2 HA SER 2 18.654 5.817 1.913 6 HB2 SER 2 1HB SER 2 17.915 8.529 0.787 7 HB3 SER 2 2HB SER 2 17.408 7.919 2.362 8 HG SER 2 HG SER 2 19.293 9.263 2.447 9 H SER 3 H SER 3 16.596 5.106 2.370 10 HA SER 3 HA SER 3 14.991 4.388 0.075 11 HB2 SER 3 1HB SER 3 14.576 3.807 3.018 12 HB3 SER 3 2HB SER 3 13.656 3.095 1.693 13 HG SER 3 HG SER 3 16.436 2.803 2.187 14 H GLY 4 H GLY 4 12.658 4.740 0.012 15 HA2 GLY 4 1HA GLY 4 11.118 6.364 1.565 16 HA3 GLY 4 2HA GLY 4 12.033 7.494 0.577 17 H SER 5 H SER 5 9.126 6.811 0.686 18 HA SER 5 HA SER 5 8.703 5.747 -2.010 19 HB2 SER 5 1HB SER 5 6.848 6.215 0.324 20 HB3 SER 5 2HB SER 5 6.253 5.818 -1.288 21 HG SER 5 HG SER 5 8.164 4.240 0.084 22 H SER 6 H SER 6 8.275 7.037 -3.670 23 HA SER 6 HA SER 6 8.396 9.804 -3.566 24 HB2 SER 6 1HB SER 6 7.716 9.805 -5.858 25 HB3 SER 6 2HB SER 6 8.656 8.334 -5.611 26 HG SER 6 HG SER 6 6.617 8.088 -6.780 27 H GLY 7 H GLY 7 5.549 7.690 -3.599 28 HA2 GLY 7 1HA GLY 7 3.872 8.931 -1.955 29 HA3 GLY 7 2HA GLY 7 3.775 9.991 -3.355 30 H TRP 8 H TRP 8 3.949 8.046 -5.381 31 HA TRP 8 HA TRP 8 1.296 6.830 -5.103 32 HB2 TRP 8 1HB TRP 8 2.959 7.470 -7.546 33 HB3 TRP 8 2HB TRP 8 1.414 6.624 -7.601 34 HD1 TRP 8 HD1 TRP 8 2.917 10.084 -7.194 35 HE1 TRP 8 HE1 TRP 8 1.029 11.833 -7.233 36 HE3 TRP 8 HE3 TRP 8 -1.106 6.938 -6.973 37 HZ2 TRP 8 HZ2 TRP 8 -1.793 11.873 -7.175 38 HZ3 TRP 8 HZ3 TRP 8 -3.366 7.912 -6.967 39 HH2 TRP 8 HH2 TRP 8 -3.700 10.329 -7.067 40 H THR 9 H THR 9 3.431 5.556 -3.799 41 HA THR 9 HA THR 9 3.451 3.012 -5.252 42 HB THR 9 HB THR 9 5.823 2.625 -4.569 43 HG1 THR 9 HG1 THR 9 6.165 5.394 -4.283 44 HG21 THR 9 3HG2 THR 9 4.839 4.349 -6.667 45 HG22 THR 9 1HG2 THR 9 6.126 3.145 -6.719 46 HG23 THR 9 2HG2 THR 9 6.482 4.793 -6.204 47 H CYS 10 H CYS 10 3.225 1.237 -3.977 48 HA CYS 10 HA CYS 10 2.905 1.733 -1.097 49 HB2 CYS 10 1HB CYS 10 1.656 -0.230 -2.996 50 HB3 CYS 10 2HB CYS 10 1.685 -0.563 -1.267 51 H ASN 11 H ASN 11 3.981 0.533 0.408 52 HA ASN 11 HA ASN 11 6.144 -1.167 -0.617 53 HB2 ASN 11 1HB ASN 11 6.543 0.894 0.908 54 HB3 ASN 11 2HB ASN 11 5.967 -0.148 2.205 55 HD21 ASN 11 1HD2 ASN 11 7.752 -0.562 3.331 56 HD22 ASN 11 2HD2 ASN 11 9.196 -1.261 2.687 57 H LYS 12 H LYS 12 6.742 -3.066 0.690 58 HA LYS 12 HA LYS 12 4.723 -4.906 0.941 59 HB2 LYS 12 1HB LYS 12 7.314 -4.829 2.501 60 HB3 LYS 12 2HB LYS 12 6.290 -6.245 2.302 61 HG2 LYS 12 1HG LYS 12 7.545 -4.774 0.000 62 HG3 LYS 12 2HG LYS 12 8.294 -6.152 0.810 63 HD2 LYS 12 1HD LYS 12 5.501 -6.354 -0.248 64 HD3 LYS 12 2HD LYS 12 6.880 -6.544 -1.333 65 HE2 LYS 12 1HE LYS 12 7.734 -8.360 0.035 66 HE3 LYS 12 2HE LYS 12 6.417 -8.139 1.186 67 HZ1 LYS 12 3HZ LYS 12 5.169 -9.482 -0.027 68 HZ2 LYS 12 1HZ LYS 12 6.442 -9.713 -1.118 69 HZ3 LYS 12 2HZ LYS 12 5.324 -8.470 -1.374 70 H PHE 13 H PHE 13 6.362 -3.402 3.734 71 HA PHE 13 HA PHE 13 4.552 -4.276 5.663 72 HB2 PHE 13 1HB PHE 13 6.891 -3.059 5.845 73 HB3 PHE 13 2HB PHE 13 5.886 -1.621 5.992 74 HD1 PHE 13 HD1 PHE 13 6.655 -4.899 7.503 75 HD2 PHE 13 HD2 PHE 13 4.733 -1.132 7.991 76 HE1 PHE 13 HE1 PHE 13 6.330 -5.378 9.894 77 HE2 PHE 13 HE2 PHE 13 4.406 -1.605 10.384 78 HZ PHE 13 HZ PHE 13 5.206 -3.730 11.338 79 H ARG 14 H ARG 14 4.588 -1.292 3.760 80 HA ARG 14 HA ARG 14 2.604 0.166 4.938 81 HB2 ARG 14 1HB ARG 14 3.444 -0.174 2.088 82 HB3 ARG 14 2HB ARG 14 2.009 0.777 2.445 83 HG2 ARG 14 1HG ARG 14 4.528 1.358 3.919 84 HG3 ARG 14 2HG ARG 14 4.354 1.910 2.252 85 HD2 ARG 14 1HD ARG 14 2.214 2.442 4.281 86 HD3 ARG 14 2HD ARG 14 3.636 3.480 4.177 87 HE ARG 14 HE ARG 14 2.262 3.053 1.674 88 HH11 ARG 14 1HH1 ARG 14 2.550 5.031 4.524 89 HH12 ARG 14 2HH1 ARG 14 1.837 6.427 3.787 90 HH21 ARG 14 1HH2 ARG 14 1.322 4.886 0.691 91 HH22 ARG 14 2HH2 ARG 14 1.138 6.343 1.606 92 H CYS 15 H CYS 15 2.120 -2.316 2.425 93 HA CYS 15 HA CYS 15 -0.593 -2.257 2.151 94 HB2 CYS 15 1HB CYS 15 1.179 -4.708 2.268 95 HB3 CYS 15 2HB CYS 15 -0.468 -4.692 1.644 96 H GLY 16 H GLY 16 -1.994 -2.005 3.785 97 HA2 GLY 16 1HA GLY 16 -3.412 -3.055 5.382 98 HA3 GLY 16 2HA GLY 16 -2.084 -4.119 5.817 99 H GLU 17 H GLU 17 -2.143 -0.581 5.555 100 HA GLU 17 HA GLU 17 -1.185 -0.453 8.326 101 HB2 GLU 17 1HB GLU 17 -0.391 1.801 7.761 102 HB3 GLU 17 2HB GLU 17 0.273 0.590 6.675 103 HG2 GLU 17 1HG GLU 17 -0.914 1.347 4.875 104 HG3 GLU 17 2HG GLU 17 -2.210 2.011 5.869 105 H LYS 18 H LYS 18 -1.886 1.545 9.548 106 HA LYS 18 HA LYS 18 -4.712 1.544 9.776 107 HB2 LYS 18 1HB LYS 18 -2.723 3.486 10.967 108 HB3 LYS 18 2HB LYS 18 -4.382 3.248 11.497 109 HG2 LYS 18 1HG LYS 18 -3.911 1.101 12.345 110 HG3 LYS 18 2HG LYS 18 -2.351 1.037 11.524 111 HD2 LYS 18 1HD LYS 18 -1.334 2.405 13.057 112 HD3 LYS 18 2HD LYS 18 -2.836 3.233 13.475 113 HE2 LYS 18 1HE LYS 18 -2.294 0.360 14.188 114 HE3 LYS 18 2HE LYS 18 -1.870 1.705 15.246 115 HZ1 LYS 18 3HZ LYS 18 -4.609 1.586 14.234 116 HZ2 LYS 18 1HZ LYS 18 -4.031 2.131 15.728 117 HZ3 LYS 18 2HZ LYS 18 -4.171 0.473 15.430 118 H ARG 19 H ARG 19 -5.918 3.724 9.913 119 HA ARG 19 HA ARG 19 -6.469 4.741 7.492 120 HB2 ARG 19 1HB ARG 19 -6.321 6.595 9.860 121 HB3 ARG 19 2HB ARG 19 -7.467 6.620 8.527 122 HG2 ARG 19 1HG ARG 19 -8.806 5.681 10.080 123 HG3 ARG 19 2HG ARG 19 -8.026 4.204 9.510 124 HD2 ARG 19 1HD ARG 19 -7.699 3.936 11.746 125 HD3 ARG 19 2HD ARG 19 -6.257 4.878 11.370 126 HE ARG 19 HE ARG 19 -8.581 6.422 12.140 127 HH11 ARG 19 1HH1 ARG 19 -5.655 4.841 13.172 128 HH12 ARG 19 2HH1 ARG 19 -5.505 5.778 14.622 129 HH21 ARG 19 1HH2 ARG 19 -8.395 7.661 14.046 130 HH22 ARG 19 2HH2 ARG 19 -7.064 7.381 15.118 131 H LEU 20 H LEU 20 -5.440 5.826 5.952 132 HA LEU 20 HA LEU 20 -2.755 6.665 6.239 133 HB2 LEU 20 1HB LEU 20 -2.873 7.352 3.981 134 HB3 LEU 20 2HB LEU 20 -3.858 5.897 4.126 135 HG LEU 20 HG LEU 20 -5.052 7.332 2.699 136 HD11 LEU 20 1HD1 LEU 20 -7.066 7.908 3.985 137 HD12 LEU 20 2HD1 LEU 20 -6.173 7.641 5.482 138 HD13 LEU 20 3HD1 LEU 20 -6.461 6.298 4.374 139 HD21 LEU 20 3HD2 LEU 20 -3.645 9.361 3.710 140 HD22 LEU 20 1HD2 LEU 20 -5.164 9.626 4.566 141 HD23 LEU 20 2HD2 LEU 20 -5.140 9.596 2.803 142 H THR 21 H THR 21 -1.917 8.831 5.893 143 HA THR 21 HA THR 21 -3.750 10.978 6.710 144 HB THR 21 HB THR 21 -1.908 11.924 8.134 145 HG1 THR 21 HG1 THR 21 -0.467 10.007 8.832 146 HG21 THR 21 3HG2 THR 21 -3.883 10.273 8.831 147 HG22 THR 21 1HG2 THR 21 -2.696 10.864 9.994 148 HG23 THR 21 2HG2 THR 21 -2.516 9.258 9.288 149 H ARG 22 H ARG 22 -3.798 12.154 4.880 150 HA ARG 22 HA ARG 22 -3.124 13.496 3.172 151 HB2 ARG 22 1HB ARG 22 -0.592 13.737 4.808 152 HB3 ARG 22 2HB ARG 22 -1.085 14.811 3.505 153 HG2 ARG 22 1HG ARG 22 -3.226 15.107 5.002 154 HG3 ARG 22 2HG ARG 22 -2.124 14.587 6.279 155 HD2 ARG 22 1HD ARG 22 -0.536 16.382 5.275 156 HD3 ARG 22 2HD ARG 22 -2.009 17.026 4.551 157 HE ARG 22 HE ARG 22 -2.719 17.702 6.639 158 HH11 ARG 22 1HH1 ARG 22 0.109 15.690 6.925 159 HH12 ARG 22 2HH1 ARG 22 0.366 16.063 8.598 160 HH21 ARG 22 1HH2 ARG 22 -2.392 18.201 8.842 161 HH22 ARG 22 2HH2 ARG 22 -1.058 17.491 9.687 162 H SER 23 H SER 23 -2.806 10.767 2.749 163 HA SER 23 HA SER 23 -0.264 10.592 1.276 164 HB2 SER 23 1HB SER 23 -2.050 8.485 2.478 165 HB3 SER 23 2HB SER 23 -0.848 8.082 1.252 166 HG SER 23 HG SER 23 0.757 8.668 2.616 167 H LEU 24 H LEU 24 -0.309 10.607 -0.872 168 HA LEU 24 HA LEU 24 -2.457 11.219 -2.429 169 HB2 LEU 24 1HB LEU 24 -0.132 9.489 -3.256 170 HB3 LEU 24 2HB LEU 24 -1.200 10.373 -4.344 171 HG LEU 24 HG LEU 24 0.616 11.672 -2.316 172 HD11 LEU 24 1HD1 LEU 24 2.306 11.409 -3.723 173 HD12 LEU 24 2HD1 LEU 24 1.380 12.191 -5.003 174 HD13 LEU 24 3HD1 LEU 24 1.277 10.445 -4.782 175 HD21 LEU 24 3HD2 LEU 24 -0.967 12.795 -4.627 176 HD22 LEU 24 1HD2 LEU 24 0.142 13.703 -3.599 177 HD23 LEU 24 2HD2 LEU 24 -1.328 13.011 -2.913 178 H CYS 25 H CYS 25 -1.173 7.928 -1.948 179 HA CYS 25 HA CYS 25 -3.796 6.884 -2.793 180 HB2 CYS 25 1HB CYS 25 -2.778 5.082 -3.816 181 HB3 CYS 25 2HB CYS 25 -1.575 6.338 -4.091 182 H ALA 26 H ALA 26 -4.246 4.654 -1.826 183 HA ALA 26 HA ALA 26 -3.498 4.678 1.027 184 HB1 ALA 26 3HB ALA 26 -5.703 3.706 1.504 185 HB2 ALA 26 1HB ALA 26 -5.826 5.290 0.739 186 HB3 ALA 26 2HB ALA 26 -6.116 3.830 -0.206 187 H CYS 27 H CYS 27 -2.226 3.031 1.536 188 HA CYS 27 HA CYS 27 -2.229 0.621 -0.102 189 HB2 CYS 27 1HB CYS 27 -0.426 1.441 2.185 190 HB3 CYS 27 2HB CYS 27 -0.206 0.019 1.172 191 H SER 28 H SER 28 -4.566 0.918 1.350 192 HA SER 28 HA SER 28 -4.290 -1.191 3.391 193 HB2 SER 28 1HB SER 28 -6.161 -0.200 4.600 194 HB3 SER 28 2HB SER 28 -4.894 1.006 4.375 195 HG SER 28 HG SER 28 -6.233 1.502 2.367 196 H ASP 29 H ASP 29 -6.355 -2.427 3.733 197 HA ASP 29 HA ASP 29 -7.303 -3.352 1.171 198 HB2 ASP 29 1HB ASP 29 -6.740 -4.803 3.218 199 HB3 ASP 29 2HB ASP 29 -8.300 -4.291 3.855 200 H ASP 30 H ASP 30 -8.090 -0.732 1.568 201 HA ASP 30 HA ASP 30 -11.007 -1.048 1.746 202 HB2 ASP 30 1HB ASP 30 -9.467 1.313 2.845 203 HB3 ASP 30 2HB ASP 30 -11.214 1.093 2.886 204 H CYS 31 H CYS 31 -8.242 0.653 0.428 205 HA CYS 31 HA CYS 31 -9.433 2.591 -1.118 206 HB2 CYS 31 1HB CYS 31 -7.467 2.605 -2.449 207 HB3 CYS 31 2HB CYS 31 -6.954 2.123 -0.836 208 H LYS 32 H LYS 32 -8.937 -0.826 -1.923 209 HA LYS 32 HA LYS 32 -9.702 -0.985 -4.510 210 HB2 LYS 32 1HB LYS 32 -10.178 -2.766 -2.167 211 HB3 LYS 32 2HB LYS 32 -11.006 -3.145 -3.673 212 HG2 LYS 32 1HG LYS 32 -9.122 -4.367 -3.976 213 HG3 LYS 32 2HG LYS 32 -8.572 -2.837 -4.663 214 HD2 LYS 32 1HD LYS 32 -6.823 -3.264 -3.259 215 HD3 LYS 32 2HD LYS 32 -7.873 -2.383 -2.146 216 HE2 LYS 32 1HE LYS 32 -7.693 -5.385 -2.410 217 HE3 LYS 32 2HE LYS 32 -6.971 -4.418 -1.124 218 HZ1 LYS 32 3HZ LYS 32 -9.852 -4.847 -1.669 219 HZ2 LYS 32 1HZ LYS 32 -9.288 -3.641 -0.624 220 HZ3 LYS 32 2HZ LYS 32 -8.983 -5.269 -0.281 221 H ASP 33 H ASP 33 -11.861 -0.553 -1.749 222 HA ASP 33 HA ASP 33 -14.277 -0.738 -3.223 223 HB2 ASP 33 1HB ASP 33 -14.291 -1.066 -0.825 224 HB3 ASP 33 2HB ASP 33 -13.669 0.561 -0.560 225 H GLN 34 H GLN 34 -12.401 2.046 -2.044 226 HA GLN 34 HA GLN 34 -14.108 3.979 -3.252 227 HB2 GLN 34 1HB GLN 34 -11.280 4.192 -2.208 228 HB3 GLN 34 2HB GLN 34 -12.242 5.563 -2.742 229 HG2 GLN 34 1HG GLN 34 -13.129 3.711 -0.553 230 HG3 GLN 34 2HG GLN 34 -12.156 5.150 -0.259 231 HE21 GLN 34 1HE2 GLN 34 -15.270 3.910 -0.766 232 HE22 GLN 34 2HE2 GLN 34 -16.125 5.410 -0.795 233 H GLY 35 H GLY 35 -10.699 3.212 -3.999 234 HA2 GLY 35 1HA GLY 35 -10.229 2.521 -6.344 235 HA3 GLY 35 2HA GLY 35 -11.321 3.811 -6.827 236 H ASP 36 H ASP 36 -8.776 3.833 -4.358 237 HA ASP 36 HA ASP 36 -7.275 5.756 -5.995 238 HB2 ASP 36 1HB ASP 36 -8.011 6.084 -3.080 239 HB3 ASP 36 2HB ASP 36 -6.827 7.082 -3.920 240 H CYS 37 H CYS 37 -6.663 3.073 -5.804 241 HA CYS 37 HA CYS 37 -4.589 2.768 -3.787 242 HB2 CYS 37 1HB CYS 37 -5.126 0.782 -5.973 243 HB3 CYS 37 2HB CYS 37 -4.550 0.499 -4.334 244 H CYS 38 H CYS 38 -2.451 2.927 -4.135 245 HA CYS 38 HA CYS 38 -1.300 4.400 -6.077 246 HB2 CYS 38 1HB CYS 38 -0.281 2.195 -4.357 247 HB3 CYS 38 2HB CYS 38 0.753 2.732 -5.677 248 H ILE 39 H ILE 39 0.009 3.910 -7.954 249 HA ILE 39 HA ILE 39 -1.339 2.362 -9.862 250 HB ILE 39 HB ILE 39 0.038 4.192 -10.583 251 HG12 ILE 39 1HG1 ILE 39 1.543 1.787 -11.567 252 HG13 ILE 39 2HG1 ILE 39 -0.163 1.984 -11.952 253 HG21 ILE 39 1HG2 ILE 39 1.925 3.068 -8.762 254 HG22 ILE 39 2HG2 ILE 39 2.675 3.219 -10.351 255 HG23 ILE 39 3HG2 ILE 39 1.963 4.632 -9.573 256 HD11 ILE 39 3HD1 ILE 39 1.453 2.802 -13.683 257 HD12 ILE 39 1HD1 ILE 39 0.249 3.976 -13.154 258 HD13 ILE 39 2HD1 ILE 39 1.904 4.076 -12.552 259 H ASN 40 H ASN 40 1.078 1.523 -7.548 260 HA ASN 40 HA ASN 40 1.235 -1.175 -8.722 261 HB2 ASN 40 1HB ASN 40 3.524 -1.337 -7.728 262 HB3 ASN 40 2HB ASN 40 3.392 -0.133 -9.007 263 HD21 ASN 40 1HD2 ASN 40 4.723 -0.689 -6.112 264 HD22 ASN 40 2HD2 ASN 40 4.847 0.925 -5.510 265 H TYR 41 H TYR 41 -0.769 -0.556 -6.967 266 HA TYR 41 HA TYR 41 -0.041 -1.137 -4.259 267 HB2 TYR 41 1HB TYR 41 -1.987 0.203 -4.588 268 HB3 TYR 41 2HB TYR 41 -2.696 -0.977 -5.685 269 HD1 TYR 41 HD2 TYR 41 -3.595 -3.110 -4.791 270 HD2 TYR 41 HD1 TYR 41 -2.224 -0.007 -2.222 271 HE1 TYR 41 HE2 TYR 41 -4.792 -4.146 -2.909 272 HE2 TYR 41 HE1 TYR 41 -3.416 -1.035 -0.333 273 HH TYR 41 HH TYR 41 -4.626 -2.767 0.359 274 H SER 42 H SER 42 -1.820 -2.945 -6.761 275 HA SER 42 HA SER 42 -1.924 -5.345 -5.229 276 HB2 SER 42 1HB SER 42 -2.966 -6.331 -7.116 277 HB3 SER 42 2HB SER 42 -3.493 -4.647 -7.128 278 HG SER 42 HG SER 42 -2.766 -5.463 -9.193 279 H SER 43 H SER 43 0.246 -4.063 -7.670 280 HA SER 43 HA SER 43 1.657 -6.385 -8.309 281 HB2 SER 43 1HB SER 43 2.060 -4.493 -9.667 282 HB3 SER 43 2HB SER 43 2.442 -3.474 -8.280 283 HG SER 43 HG SER 43 4.402 -4.378 -8.129 284 H VAL 44 H VAL 44 1.979 -4.172 -5.597 285 HA VAL 44 HA VAL 44 4.278 -5.660 -4.575 286 HB VAL 44 HB VAL 44 2.952 -3.137 -3.577 287 HG11 VAL 44 1HG1 VAL 44 5.204 -4.775 -2.469 288 HG12 VAL 44 2HG1 VAL 44 5.096 -3.041 -2.162 289 HG13 VAL 44 3HG1 VAL 44 3.799 -4.114 -1.636 290 HG21 VAL 44 3HG2 VAL 44 4.570 -3.393 -5.720 291 HG22 VAL 44 1HG2 VAL 44 4.504 -1.952 -4.706 292 HG23 VAL 44 2HG2 VAL 44 5.767 -3.155 -4.447 293 H CYS 45 H CYS 45 1.073 -4.589 -3.441 294 HA CYS 45 HA CYS 45 1.075 -6.022 -1.036 295 HB2 CYS 45 1HB CYS 45 -1.223 -5.124 -2.783 296 HB3 CYS 45 2HB CYS 45 -1.422 -5.789 -1.164 297 H GLN 46 H GLN 46 -0.066 -6.920 -4.265 298 HA GLN 46 HA GLN 46 -0.217 -9.712 -3.339 299 HB2 GLN 46 1HB GLN 46 -2.030 -8.260 -5.265 300 HB3 GLN 46 2HB GLN 46 -1.992 -10.012 -5.116 301 HG2 GLN 46 1HG GLN 46 -2.399 -8.400 -2.656 302 HG3 GLN 46 2HG GLN 46 -3.732 -8.542 -3.800 303 HE21 GLN 46 1HE2 GLN 46 -5.047 -10.181 -3.488 304 HE22 GLN 46 2HE2 GLN 46 -4.667 -11.653 -2.667 305 H GLY 47 H GLY 47 -0.467 -11.088 -5.598 306 HA2 GLY 47 1HA GLY 47 0.958 -10.318 -7.855 307 HA3 GLY 47 2HA GLY 47 2.134 -10.979 -6.728 308 H GLU 48 H GLU 48 2.600 -12.710 -8.121 309 HA GLU 48 HA GLU 48 0.454 -14.553 -8.798 310 HB2 GLU 48 1HB GLU 48 2.265 -13.975 -10.427 311 HB3 GLU 48 2HB GLU 48 3.409 -14.797 -9.376 312 HG2 GLU 48 1HG GLU 48 1.031 -16.073 -10.709 313 HG3 GLU 48 2HG GLU 48 2.705 -16.198 -11.248 314 H LYS 49 H LYS 49 -0.194 -15.881 -7.235 315 HA LYS 49 HA LYS 49 1.797 -17.533 -5.890 316 HB2 LYS 49 1HB LYS 49 -0.158 -15.726 -4.486 317 HB3 LYS 49 2HB LYS 49 0.469 -17.174 -3.709 318 HG2 LYS 49 1HG LYS 49 2.214 -14.990 -4.818 319 HG3 LYS 49 2HG LYS 49 1.672 -15.063 -3.140 320 HD2 LYS 49 1HD LYS 49 2.725 -17.317 -2.972 321 HD3 LYS 49 2HD LYS 49 3.378 -17.082 -4.595 322 HE2 LYS 49 1HE LYS 49 3.871 -15.040 -2.468 323 HE3 LYS 49 2HE LYS 49 4.835 -16.515 -2.513 324 HZ1 LYS 49 3HZ LYS 49 4.592 -15.208 -5.066 325 HZ2 LYS 49 1HZ LYS 49 5.968 -15.804 -4.281 326 HZ3 LYS 49 2HZ LYS 49 5.376 -14.266 -3.900 327 H SER 50 H SER 50 0.522 -19.168 -4.405 328 HA SER 50 HA SER 50 -1.797 -20.118 -5.958 329 HB2 SER 50 1HB SER 50 -1.076 -22.428 -5.249 330 HB3 SER 50 2HB SER 50 0.037 -21.618 -6.352 331 HG SER 50 HG SER 50 0.296 -21.891 -3.540 332 H SER 51 H SER 51 -3.483 -21.144 -4.824 333 HA SER 51 HA SER 51 -5.051 -21.076 -3.149 334 HB2 SER 51 1HB SER 51 -2.596 -22.313 -1.941 335 HB3 SER 51 2HB SER 51 -4.045 -22.090 -0.959 336 HG SER 51 HG SER 51 -3.788 -24.151 -2.172 337 H GLY 52 H GLY 52 -3.982 -18.548 -3.536 338 HA2 GLY 52 1HA GLY 52 -3.506 -16.536 -2.489 339 HA3 GLY 52 2HA GLY 52 -4.854 -17.043 -1.482 340 HA PRO 53 HA PRO 53 -1.274 -16.394 1.338 341 HB2 PRO 53 1HB PRO 53 -2.760 -15.284 3.320 342 HB3 PRO 53 2HB PRO 53 -2.113 -14.350 1.966 343 HG2 PRO 53 1HG PRO 53 -4.867 -15.454 2.360 344 HG3 PRO 53 2HG PRO 53 -4.377 -13.864 1.748 345 HD2 PRO 53 1HD PRO 53 -5.151 -15.878 0.112 346 HD3 PRO 53 2HD PRO 53 -3.939 -14.672 -0.366 347 H SER 54 H SER 54 -1.146 -18.692 1.564 348 HA SER 54 HA SER 54 -2.871 -19.827 3.661 349 HB2 SER 54 1HB SER 54 -2.200 -22.036 2.778 350 HB3 SER 54 2HB SER 54 -2.967 -21.042 1.540 351 HG SER 54 HG SER 54 -0.279 -21.794 1.814 352 H SER 55 H SER 55 0.496 -19.836 2.508 353 HA SER 55 HA SER 55 1.356 -20.552 5.229 354 HB2 SER 55 1HB SER 55 2.054 -22.012 3.276 355 HB3 SER 55 2HB SER 55 3.036 -20.658 2.718 356 HG SER 55 HG SER 55 3.262 -21.991 5.215 357 H GLY 56 H GLY 56 2.446 -18.538 2.486 358 HA2 GLY 56 1HA GLY 56 3.588 -16.665 4.462 359 HA3 GLY 56 2HA GLY 56 4.201 -16.881 2.829 Start of MODEL 8 1 H1 GLY 1 H GLY 1 16.204 11.222 1.094 2 HA2 GLY 1 1HA GLY 1 18.246 11.859 2.068 3 HA3 GLY 1 2HA GLY 1 19.096 11.068 0.748 4 H SER 2 H SER 2 19.918 12.303 -0.820 5 HA SER 2 HA SER 2 19.937 15.100 -0.617 6 HB2 SER 2 1HB SER 2 21.730 13.843 -1.725 7 HB3 SER 2 2HB SER 2 20.615 13.368 -3.007 8 HG SER 2 HG SER 2 20.828 15.269 -3.893 9 H SER 3 H SER 3 18.285 13.003 -2.976 10 HA SER 3 HA SER 3 16.882 15.185 -4.184 11 HB2 SER 3 1HB SER 3 16.492 12.190 -4.394 12 HB3 SER 3 2HB SER 3 15.623 13.375 -5.368 13 HG SER 3 HG SER 3 18.318 12.625 -5.449 14 H GLY 4 H GLY 4 14.685 15.694 -4.045 15 HA2 GLY 4 1HA GLY 4 13.405 14.766 -1.555 16 HA3 GLY 4 2HA GLY 4 13.135 16.338 -2.295 17 H SER 5 H SER 5 11.801 13.373 -1.804 18 HA SER 5 HA SER 5 9.639 13.877 -3.593 19 HB2 SER 5 1HB SER 5 11.674 11.792 -4.304 20 HB3 SER 5 2HB SER 5 9.979 11.527 -4.710 21 HG SER 5 HG SER 5 10.652 12.606 -6.433 22 H SER 6 H SER 6 7.811 12.802 -2.986 23 HA SER 6 HA SER 6 7.904 11.432 -0.455 24 HB2 SER 6 1HB SER 6 6.087 12.995 -0.908 25 HB3 SER 6 2HB SER 6 5.583 12.041 -2.303 26 HG SER 6 HG SER 6 5.555 10.308 -0.453 27 H GLY 7 H GLY 7 7.140 9.320 -0.032 28 HA2 GLY 7 1HA GLY 7 8.086 7.309 -1.674 29 HA3 GLY 7 2HA GLY 7 6.864 7.074 -0.433 30 H TRP 8 H TRP 8 4.605 7.568 -1.059 31 HA TRP 8 HA TRP 8 2.799 7.155 -2.377 32 HB2 TRP 8 1HB TRP 8 4.675 8.351 -4.418 33 HB3 TRP 8 2HB TRP 8 3.008 7.921 -4.792 34 HD1 TRP 8 HD1 TRP 8 4.836 10.872 -4.078 35 HE1 TRP 8 HE1 TRP 8 3.408 12.684 -2.937 36 HE3 TRP 8 HE3 TRP 8 0.908 7.972 -2.563 37 HZ2 TRP 8 HZ2 TRP 8 0.943 12.860 -1.573 38 HZ3 TRP 8 HZ3 TRP 8 -0.944 9.039 -1.344 39 HH2 TRP 8 HH2 TRP 8 -0.925 11.432 -0.861 40 H THR 9 H THR 9 4.603 4.997 -1.895 41 HA THR 9 HA THR 9 3.929 3.322 -4.203 42 HB THR 9 HB THR 9 6.115 2.175 -4.076 43 HG1 THR 9 HG1 THR 9 6.428 3.932 -1.959 44 HG21 THR 9 3HG2 THR 9 5.809 3.911 -5.748 45 HG22 THR 9 1HG2 THR 9 7.458 3.962 -5.127 46 HG23 THR 9 2HG2 THR 9 6.273 5.149 -4.581 47 H CYS 10 H CYS 10 3.090 1.400 -3.655 48 HA CYS 10 HA CYS 10 2.627 0.818 -0.884 49 HB2 CYS 10 1HB CYS 10 1.864 -0.503 -3.473 50 HB3 CYS 10 2HB CYS 10 1.585 -1.315 -1.936 51 H ASN 11 H ASN 11 3.516 -0.748 0.377 52 HA ASN 11 HA ASN 11 5.572 -2.475 -0.818 53 HB2 ASN 11 1HB ASN 11 5.861 -0.571 1.476 54 HB3 ASN 11 2HB ASN 11 6.794 -2.065 1.475 55 HD21 ASN 11 1HD2 ASN 11 7.348 0.928 1.065 56 HD22 ASN 11 2HD2 ASN 11 8.378 0.951 -0.323 57 H LYS 12 H LYS 12 6.050 -4.394 0.407 58 HA LYS 12 HA LYS 12 3.979 -5.938 1.159 59 HB2 LYS 12 1HB LYS 12 6.782 -5.920 2.271 60 HB3 LYS 12 2HB LYS 12 5.615 -7.176 2.667 61 HG2 LYS 12 1HG LYS 12 6.114 -6.574 -0.199 62 HG3 LYS 12 2HG LYS 12 7.344 -7.462 0.703 63 HD2 LYS 12 1HD LYS 12 5.963 -9.118 -0.231 64 HD3 LYS 12 2HD LYS 12 5.449 -8.996 1.453 65 HE2 LYS 12 1HE LYS 12 3.469 -7.929 0.907 66 HE3 LYS 12 2HE LYS 12 4.086 -7.358 -0.643 67 HZ1 LYS 12 3HZ LYS 12 4.124 -9.793 -1.295 68 HZ2 LYS 12 1HZ LYS 12 2.602 -9.066 -1.164 69 HZ3 LYS 12 2HZ LYS 12 3.166 -10.076 0.070 70 H PHE 13 H PHE 13 6.007 -4.282 3.587 71 HA PHE 13 HA PHE 13 4.483 -4.804 5.815 72 HB2 PHE 13 1HB PHE 13 6.342 -2.593 5.064 73 HB3 PHE 13 2HB PHE 13 5.384 -2.415 6.531 74 HD1 PHE 13 HD2 PHE 13 5.734 -3.887 8.432 75 HD2 PHE 13 HD1 PHE 13 8.096 -4.229 4.908 76 HE1 PHE 13 HE2 PHE 13 7.363 -5.260 9.661 77 HE2 PHE 13 HE1 PHE 13 9.729 -5.603 6.131 78 HZ PHE 13 HZ PHE 13 9.365 -6.120 8.512 79 H ARG 14 H ARG 14 4.259 -1.915 3.739 80 HA ARG 14 HA ARG 14 2.218 -0.576 4.974 81 HB2 ARG 14 1HB ARG 14 2.521 -0.890 1.982 82 HB3 ARG 14 2HB ARG 14 1.693 0.418 2.817 83 HG2 ARG 14 1HG ARG 14 4.548 -0.061 3.471 84 HG3 ARG 14 2HG ARG 14 4.158 0.673 1.915 85 HD2 ARG 14 1HD ARG 14 2.602 2.178 3.456 86 HD3 ARG 14 2HD ARG 14 3.804 1.732 4.665 87 HE ARG 14 HE ARG 14 4.868 2.744 2.171 88 HH11 ARG 14 1HH1 ARG 14 3.834 3.476 5.413 89 HH12 ARG 14 2HH1 ARG 14 4.745 4.948 5.511 90 HH21 ARG 14 1HH2 ARG 14 6.071 4.679 2.287 91 HH22 ARG 14 2HH2 ARG 14 6.016 5.631 3.732 92 H CYS 15 H CYS 15 1.820 -3.023 2.410 93 HA CYS 15 HA CYS 15 -0.806 -3.191 2.027 94 HB2 CYS 15 1HB CYS 15 0.836 -5.636 2.715 95 HB3 CYS 15 2HB CYS 15 -0.615 -5.588 1.720 96 H GLY 16 H GLY 16 -2.266 -2.632 3.559 97 HA2 GLY 16 1HA GLY 16 -3.833 -3.583 5.130 98 HA3 GLY 16 2HA GLY 16 -2.497 -4.457 5.863 99 H GLU 17 H GLU 17 -2.811 -1.027 4.985 100 HA GLU 17 HA GLU 17 -2.245 -0.368 7.800 101 HB2 GLU 17 1HB GLU 17 -1.215 1.681 7.025 102 HB3 GLU 17 2HB GLU 17 -0.488 0.311 6.197 103 HG2 GLU 17 1HG GLU 17 -1.947 0.769 4.253 104 HG3 GLU 17 2HG GLU 17 -2.539 2.207 5.082 105 H LYS 18 H LYS 18 -3.383 1.308 8.795 106 HA LYS 18 HA LYS 18 -6.063 1.491 8.483 107 HB2 LYS 18 1HB LYS 18 -6.028 3.519 9.767 108 HB3 LYS 18 2HB LYS 18 -4.733 2.483 10.349 109 HG2 LYS 18 1HG LYS 18 -4.080 4.484 8.257 110 HG3 LYS 18 2HG LYS 18 -4.366 5.054 9.903 111 HD2 LYS 18 1HD LYS 18 -2.644 3.570 10.747 112 HD3 LYS 18 2HD LYS 18 -2.400 2.897 9.133 113 HE2 LYS 18 1HE LYS 18 -0.706 4.422 9.158 114 HE3 LYS 18 2HE LYS 18 -1.999 5.446 8.536 115 HZ1 LYS 18 3HZ LYS 18 -2.322 5.782 11.151 116 HZ2 LYS 18 1HZ LYS 18 -1.335 6.776 10.204 117 HZ3 LYS 18 2HZ LYS 18 -0.651 5.520 11.105 118 H ARG 19 H ARG 19 -7.516 3.065 7.594 119 HA ARG 19 HA ARG 19 -6.930 3.712 4.893 120 HB2 ARG 19 1HB ARG 19 -9.153 4.884 4.976 121 HB3 ARG 19 2HB ARG 19 -9.189 3.193 5.457 122 HG2 ARG 19 1HG ARG 19 -9.371 3.761 7.755 123 HG3 ARG 19 2HG ARG 19 -9.034 5.461 7.421 124 HD2 ARG 19 1HD ARG 19 -11.122 5.599 6.127 125 HD3 ARG 19 2HD ARG 19 -11.460 3.913 6.518 126 HE ARG 19 HE ARG 19 -12.092 4.555 8.635 127 HH11 ARG 19 1HH1 ARG 19 -10.536 7.213 7.013 128 HH12 ARG 19 2HH1 ARG 19 -10.978 8.378 8.217 129 HH21 ARG 19 1HH2 ARG 19 -12.681 6.080 10.227 130 HH22 ARG 19 2HH2 ARG 19 -12.198 7.731 10.045 131 H LEU 20 H LEU 20 -5.789 5.376 4.176 132 HA LEU 20 HA LEU 20 -5.190 7.614 5.903 133 HB2 LEU 20 1HB LEU 20 -4.230 6.603 3.287 134 HB3 LEU 20 2HB LEU 20 -4.042 8.326 3.608 135 HG LEU 20 HG LEU 20 -2.006 7.114 4.142 136 HD11 LEU 20 1HD1 LEU 20 -1.590 8.091 6.222 137 HD12 LEU 20 2HD1 LEU 20 -3.256 7.879 6.759 138 HD13 LEU 20 3HD1 LEU 20 -2.873 9.083 5.528 139 HD21 LEU 20 3HD2 LEU 20 -1.989 5.124 5.129 140 HD22 LEU 20 1HD2 LEU 20 -3.752 5.142 5.071 141 HD23 LEU 20 2HD2 LEU 20 -2.911 5.734 6.503 142 H THR 21 H THR 21 -5.510 9.834 5.291 143 HA THR 21 HA THR 21 -8.146 10.330 4.322 144 HB THR 21 HB THR 21 -7.593 12.721 4.619 145 HG1 THR 21 HG1 THR 21 -5.086 12.003 5.675 146 HG21 THR 21 3HG2 THR 21 -6.583 11.128 6.970 147 HG22 THR 21 1HG2 THR 21 -8.287 11.213 6.528 148 HG23 THR 21 2HG2 THR 21 -7.423 12.679 6.990 149 H ARG 22 H ARG 22 -8.292 12.381 2.754 150 HA ARG 22 HA ARG 22 -8.001 11.599 0.198 151 HB2 ARG 22 1HB ARG 22 -8.000 14.281 1.480 152 HB3 ARG 22 2HB ARG 22 -7.536 14.201 -0.215 153 HG2 ARG 22 1HG ARG 22 -9.802 14.577 -0.345 154 HG3 ARG 22 2HG ARG 22 -9.713 12.821 -0.485 155 HD2 ARG 22 1HD ARG 22 -11.416 13.147 1.064 156 HD3 ARG 22 2HD ARG 22 -10.008 12.818 2.072 157 HE ARG 22 HE ARG 22 -10.524 15.616 1.553 158 HH11 ARG 22 1HH1 ARG 22 -11.051 12.901 3.669 159 HH12 ARG 22 2HH1 ARG 22 -11.426 13.881 5.047 160 HH21 ARG 22 1HH2 ARG 22 -11.016 16.917 3.362 161 HH22 ARG 22 2HH2 ARG 22 -11.407 16.165 4.871 162 H SER 23 H SER 23 -6.198 10.523 -0.443 163 HA SER 23 HA SER 23 -3.754 12.124 -0.703 164 HB2 SER 23 1HB SER 23 -2.340 10.409 0.109 165 HB3 SER 23 2HB SER 23 -3.660 10.495 1.276 166 HG SER 23 HG SER 23 -4.224 8.540 0.753 167 H LEU 24 H LEU 24 -2.272 11.299 -2.351 168 HA LEU 24 HA LEU 24 -3.464 10.847 -4.791 169 HB2 LEU 24 1HB LEU 24 -0.711 9.903 -4.012 170 HB3 LEU 24 2HB LEU 24 -1.283 10.279 -5.636 171 HG LEU 24 HG LEU 24 -0.958 12.293 -3.413 172 HD11 LEU 24 1HD1 LEU 24 0.757 12.409 -5.798 173 HD12 LEU 24 2HD1 LEU 24 1.081 11.074 -4.693 174 HD13 LEU 24 3HD1 LEU 24 1.133 12.736 -4.106 175 HD21 LEU 24 3HD2 LEU 24 -1.175 13.004 -6.290 176 HD22 LEU 24 1HD2 LEU 24 -1.671 13.907 -4.859 177 HD23 LEU 24 2HD2 LEU 24 -2.649 12.555 -5.429 178 H CYS 25 H CYS 25 -2.442 8.516 -2.381 179 HA CYS 25 HA CYS 25 -4.079 6.480 -3.558 180 HB2 CYS 25 1HB CYS 25 -2.484 4.960 -4.288 181 HB3 CYS 25 2HB CYS 25 -1.785 6.491 -4.807 182 H ALA 26 H ALA 26 -3.991 4.438 -2.267 183 HA ALA 26 HA ALA 26 -2.882 4.725 0.413 184 HB1 ALA 26 3HB ALA 26 -5.024 5.755 0.700 185 HB2 ALA 26 1HB ALA 26 -5.832 4.420 -0.122 186 HB3 ALA 26 2HB ALA 26 -5.076 4.159 1.451 187 H CYS 27 H CYS 27 -2.110 2.845 1.134 188 HA CYS 27 HA CYS 27 -2.738 0.421 -0.381 189 HB2 CYS 27 1HB CYS 27 -0.585 0.793 1.706 190 HB3 CYS 27 2HB CYS 27 -0.719 -0.508 0.528 191 H SER 28 H SER 28 -4.778 1.261 1.287 192 HA SER 28 HA SER 28 -4.606 -0.437 3.667 193 HB2 SER 28 1HB SER 28 -6.969 1.295 3.019 194 HB3 SER 28 2HB SER 28 -6.341 0.814 4.595 195 HG SER 28 HG SER 28 -5.666 2.946 3.014 196 H ASP 29 H ASP 29 -6.948 -1.380 4.192 197 HA ASP 29 HA ASP 29 -7.557 -3.137 1.937 198 HB2 ASP 29 1HB ASP 29 -8.004 -3.302 4.901 199 HB3 ASP 29 2HB ASP 29 -8.941 -4.317 3.807 200 H ASP 30 H ASP 30 -8.494 -0.367 2.022 201 HA ASP 30 HA ASP 30 -11.381 -0.910 1.867 202 HB2 ASP 30 1HB ASP 30 -10.014 1.495 3.075 203 HB3 ASP 30 2HB ASP 30 -11.710 1.503 2.596 204 H CYS 31 H CYS 31 -8.599 0.853 0.685 205 HA CYS 31 HA CYS 31 -9.581 2.605 -1.125 206 HB2 CYS 31 1HB CYS 31 -7.566 2.427 -2.318 207 HB3 CYS 31 2HB CYS 31 -7.142 1.914 -0.687 208 H LYS 32 H LYS 32 -9.525 -0.899 -1.454 209 HA LYS 32 HA LYS 32 -10.110 -1.307 -4.079 210 HB2 LYS 32 1HB LYS 32 -10.917 -2.687 -1.571 211 HB3 LYS 32 2HB LYS 32 -11.762 -3.139 -3.045 212 HG2 LYS 32 1HG LYS 32 -9.973 -4.652 -2.812 213 HG3 LYS 32 2HG LYS 32 -9.502 -3.527 -4.087 214 HD2 LYS 32 1HD LYS 32 -8.264 -2.223 -2.318 215 HD3 LYS 32 2HD LYS 32 -8.566 -3.575 -1.223 216 HE2 LYS 32 1HE LYS 32 -6.383 -3.850 -2.163 217 HE3 LYS 32 2HE LYS 32 -7.442 -5.069 -2.873 218 HZ1 LYS 32 3HZ LYS 32 -6.200 -2.731 -4.118 219 HZ2 LYS 32 1HZ LYS 32 -7.725 -3.201 -4.681 220 HZ3 LYS 32 2HZ LYS 32 -6.431 -4.290 -4.735 221 H ASP 33 H ASP 33 -12.387 -0.319 -1.554 222 HA ASP 33 HA ASP 33 -14.694 -0.364 -3.194 223 HB2 ASP 33 1HB ASP 33 -14.150 1.233 -0.682 224 HB3 ASP 33 2HB ASP 33 -15.735 0.982 -1.409 225 H GLN 34 H GLN 34 -12.856 2.436 -1.956 226 HA GLN 34 HA GLN 34 -14.120 4.360 -3.533 227 HB2 GLN 34 1HB GLN 34 -11.348 4.308 -2.338 228 HB3 GLN 34 2HB GLN 34 -12.041 5.726 -3.116 229 HG2 GLN 34 1HG GLN 34 -13.995 5.289 -1.410 230 HG3 GLN 34 2HG GLN 34 -12.719 4.464 -0.516 231 HE21 GLN 34 1HE2 GLN 34 -14.271 7.039 -0.150 232 HE22 GLN 34 2HE2 GLN 34 -13.051 8.222 0.159 233 H GLY 35 H GLY 35 -10.841 3.032 -4.050 234 HA2 GLY 35 1HA GLY 35 -10.314 2.094 -6.258 235 HA3 GLY 35 2HA GLY 35 -11.299 3.374 -6.950 236 H ASP 36 H ASP 36 -9.090 3.924 -4.298 237 HA ASP 36 HA ASP 36 -7.371 5.463 -6.134 238 HB2 ASP 36 1HB ASP 36 -7.881 6.014 -3.203 239 HB3 ASP 36 2HB ASP 36 -6.917 6.997 -4.301 240 H CYS 37 H CYS 37 -6.938 2.734 -5.684 241 HA CYS 37 HA CYS 37 -4.911 2.414 -3.661 242 HB2 CYS 37 1HB CYS 37 -5.513 0.496 -5.910 243 HB3 CYS 37 2HB CYS 37 -4.810 0.136 -4.336 244 H CYS 38 H CYS 38 -2.795 2.727 -3.877 245 HA CYS 38 HA CYS 38 -1.542 4.099 -5.825 246 HB2 CYS 38 1HB CYS 38 -0.163 1.767 -4.501 247 HB3 CYS 38 2HB CYS 38 0.539 3.301 -5.005 248 H ILE 39 H ILE 39 -0.671 3.777 -7.811 249 HA ILE 39 HA ILE 39 -1.658 1.936 -9.563 250 HB ILE 39 HB ILE 39 -0.385 3.883 -10.295 251 HG12 ILE 39 1HG1 ILE 39 1.036 2.725 -12.045 252 HG13 ILE 39 2HG1 ILE 39 0.658 1.209 -11.235 253 HG21 ILE 39 1HG2 ILE 39 1.434 3.266 -8.437 254 HG22 ILE 39 2HG2 ILE 39 2.229 2.575 -9.850 255 HG23 ILE 39 3HG2 ILE 39 1.797 4.284 -9.830 256 HD11 ILE 39 3HD1 ILE 39 -0.841 1.384 -13.032 257 HD12 ILE 39 1HD1 ILE 39 -1.774 1.782 -11.590 258 HD13 ILE 39 2HD1 ILE 39 -1.213 3.067 -12.661 259 H ASN 40 H ASN 40 1.200 1.601 -7.516 260 HA ASN 40 HA ASN 40 1.549 -1.152 -8.475 261 HB2 ASN 40 1HB ASN 40 3.752 -1.041 -7.325 262 HB3 ASN 40 2HB ASN 40 3.568 0.184 -8.578 263 HD21 ASN 40 1HD2 ASN 40 4.894 -0.239 -5.728 264 HD22 ASN 40 2HD2 ASN 40 4.704 1.328 -5.025 265 H TYR 41 H TYR 41 -0.656 -0.741 -6.872 266 HA TYR 41 HA TYR 41 -0.056 -1.297 -4.123 267 HB2 TYR 41 1HB TYR 41 -2.080 -0.102 -4.600 268 HB3 TYR 41 2HB TYR 41 -2.630 -1.358 -5.702 269 HD1 TYR 41 HD2 TYR 41 -3.392 -3.542 -4.805 270 HD2 TYR 41 HD1 TYR 41 -2.416 -0.287 -2.243 271 HE1 TYR 41 HE2 TYR 41 -4.591 -4.641 -2.961 272 HE2 TYR 41 HE1 TYR 41 -3.612 -1.378 -0.392 273 HH TYR 41 HH TYR 41 -4.286 -3.697 0.251 274 H SER 42 H SER 42 -1.617 -3.196 -6.707 275 HA SER 42 HA SER 42 -1.509 -5.626 -5.208 276 HB2 SER 42 1HB SER 42 -1.974 -5.249 -8.176 277 HB3 SER 42 2HB SER 42 -2.358 -6.688 -7.231 278 HG SER 42 HG SER 42 -3.714 -4.298 -7.447 279 H SER 43 H SER 43 0.381 -4.251 -7.864 280 HA SER 43 HA SER 43 1.986 -6.385 -8.522 281 HB2 SER 43 1HB SER 43 3.620 -4.771 -9.312 282 HB3 SER 43 2HB SER 43 1.999 -4.168 -9.662 283 HG SER 43 HG SER 43 3.132 -3.428 -7.231 284 H VAL 44 H VAL 44 2.232 -4.228 -5.758 285 HA VAL 44 HA VAL 44 4.679 -5.535 -4.852 286 HB VAL 44 HB VAL 44 3.126 -3.209 -3.711 287 HG11 VAL 44 1HG1 VAL 44 5.014 -4.942 -2.446 288 HG12 VAL 44 2HG1 VAL 44 5.722 -3.334 -2.620 289 HG13 VAL 44 3HG1 VAL 44 4.181 -3.536 -1.785 290 HG21 VAL 44 3HG2 VAL 44 5.655 -2.348 -4.330 291 HG22 VAL 44 1HG2 VAL 44 5.304 -3.477 -5.638 292 HG23 VAL 44 2HG2 VAL 44 4.222 -2.118 -5.331 293 H CYS 45 H CYS 45 1.340 -5.008 -3.767 294 HA CYS 45 HA CYS 45 1.633 -6.612 -1.417 295 HB2 CYS 45 1HB CYS 45 -0.787 -5.513 -2.853 296 HB3 CYS 45 2HB CYS 45 -0.893 -6.449 -1.365 297 H GLN 46 H GLN 46 -0.542 -7.118 -4.197 298 HA GLN 46 HA GLN 46 -0.512 -9.976 -3.700 299 HB2 GLN 46 1HB GLN 46 -2.087 -8.157 -5.491 300 HB3 GLN 46 2HB GLN 46 -2.084 -9.892 -5.782 301 HG2 GLN 46 1HG GLN 46 -2.723 -8.822 -3.068 302 HG3 GLN 46 2HG GLN 46 -3.947 -8.838 -4.334 303 HE21 GLN 46 1HE2 GLN 46 -4.698 -10.812 -5.123 304 HE22 GLN 46 2HE2 GLN 46 -4.464 -12.289 -4.257 305 H GLY 47 H GLY 47 1.774 -10.236 -4.223 306 HA2 GLY 47 1HA GLY 47 2.271 -10.224 -7.135 307 HA3 GLY 47 2HA GLY 47 3.527 -10.035 -5.921 308 H GLU 48 H GLU 48 4.516 -11.806 -5.107 309 HA GLU 48 HA GLU 48 3.373 -14.437 -5.737 310 HB2 GLU 48 1HB GLU 48 4.991 -14.095 -7.465 311 HB3 GLU 48 2HB GLU 48 6.183 -13.503 -6.317 312 HG2 GLU 48 1HG GLU 48 6.720 -15.594 -5.575 313 HG3 GLU 48 2HG GLU 48 5.137 -16.261 -5.969 314 H LYS 49 H LYS 49 3.448 -15.845 -4.098 315 HA LYS 49 HA LYS 49 4.476 -14.992 -1.559 316 HB2 LYS 49 1HB LYS 49 3.234 -17.613 -2.412 317 HB3 LYS 49 2HB LYS 49 3.604 -17.170 -0.751 318 HG2 LYS 49 1HG LYS 49 2.088 -15.148 -1.150 319 HG3 LYS 49 2HG LYS 49 1.530 -16.020 -2.580 320 HD2 LYS 49 1HD LYS 49 1.148 -17.988 -0.959 321 HD3 LYS 49 2HD LYS 49 1.263 -16.769 0.313 322 HE2 LYS 49 1HE LYS 49 -0.993 -16.749 -0.063 323 HE3 LYS 49 2HE LYS 49 -0.478 -15.505 -1.201 324 HZ1 LYS 49 3HZ LYS 49 -0.313 -17.943 -2.525 325 HZ2 LYS 49 1HZ LYS 49 -1.412 -16.686 -2.806 326 HZ3 LYS 49 2HZ LYS 49 -1.807 -17.931 -1.732 327 H SER 50 H SER 50 6.733 -14.817 -2.089 328 HA SER 50 HA SER 50 8.110 -17.410 -2.323 329 HB2 SER 50 1HB SER 50 8.507 -15.669 -4.121 330 HB3 SER 50 2HB SER 50 9.299 -14.689 -2.888 331 HG SER 50 HG SER 50 10.590 -16.249 -4.275 332 H SER 51 H SER 51 8.102 -17.928 -0.133 333 HA SER 51 HA SER 51 9.148 -16.076 1.817 334 HB2 SER 51 1HB SER 51 8.755 -17.855 3.433 335 HB3 SER 51 2HB SER 51 7.349 -17.694 2.380 336 HG SER 51 HG SER 51 9.370 -19.675 2.314 337 H GLY 52 H GLY 52 11.202 -15.874 2.439 338 HA2 GLY 52 1HA GLY 52 13.185 -17.370 3.099 339 HA3 GLY 52 2HA GLY 52 13.142 -17.834 1.404 340 HA PRO 53 HA PRO 53 15.459 -13.694 2.290 341 HB2 PRO 53 1HB PRO 53 17.939 -14.574 2.957 342 HB3 PRO 53 2HB PRO 53 16.689 -14.224 4.156 343 HG2 PRO 53 1HG PRO 53 17.532 -16.860 3.013 344 HG3 PRO 53 2HG PRO 53 17.158 -16.437 4.695 345 HD2 PRO 53 1HD PRO 53 15.392 -17.713 3.088 346 HD3 PRO 53 2HD PRO 53 14.883 -16.584 4.360 347 H SER 54 H SER 54 15.188 -13.619 0.006 348 HA SER 54 HA SER 54 17.064 -15.078 -1.663 349 HB2 SER 54 1HB SER 54 14.906 -13.080 -2.387 350 HB3 SER 54 2HB SER 54 15.860 -14.007 -3.544 351 HG SER 54 HG SER 54 13.949 -14.939 -1.684 352 H SER 55 H SER 55 18.680 -14.163 -2.908 353 HA SER 55 HA SER 55 19.527 -11.483 -2.051 354 HB2 SER 55 1HB SER 55 21.789 -12.186 -2.841 355 HB3 SER 55 2HB SER 55 21.160 -13.201 -1.543 356 HG SER 55 HG SER 55 21.465 -13.784 -4.276 357 H GLY 56 H GLY 56 18.807 -9.996 -3.448 358 HA2 GLY 56 1HA GLY 56 19.634 -10.221 -6.231 359 HA3 GLY 56 2HA GLY 56 17.904 -10.103 -5.950 Start of MODEL 9 1 H1 GLY 1 H GLY 1 5.090 24.001 2.625 2 HA2 GLY 1 1HA GLY 1 3.293 24.140 0.290 3 HA3 GLY 1 2HA GLY 1 5.023 24.446 0.248 4 H SER 2 H SER 2 6.444 22.752 0.046 5 HA SER 2 HA SER 2 5.222 20.098 -0.342 6 HB2 SER 2 1HB SER 2 6.001 21.186 -2.456 7 HB3 SER 2 2HB SER 2 7.637 21.197 -1.798 8 HG SER 2 HG SER 2 7.742 19.044 -1.966 9 H SER 3 H SER 3 5.677 19.676 1.902 10 HA SER 3 HA SER 3 8.523 19.089 2.395 11 HB2 SER 3 1HB SER 3 7.813 20.858 3.886 12 HB3 SER 3 2HB SER 3 6.391 19.933 4.370 13 HG SER 3 HG SER 3 7.925 18.330 5.167 14 H GLY 4 H GLY 4 8.836 16.970 2.195 15 HA2 GLY 4 1HA GLY 4 8.567 14.844 3.400 16 HA3 GLY 4 2HA GLY 4 6.839 15.165 3.414 17 H SER 5 H SER 5 9.572 14.553 1.241 18 HA SER 5 HA SER 5 8.208 14.161 -1.127 19 HB2 SER 5 1HB SER 5 10.738 14.133 -0.703 20 HB3 SER 5 2HB SER 5 10.535 12.428 -0.305 21 HG SER 5 HG SER 5 10.836 12.269 -2.405 22 H SER 6 H SER 6 6.778 12.722 -1.831 23 HA SER 6 HA SER 6 6.598 10.122 -0.463 24 HB2 SER 6 1HB SER 6 4.783 11.820 0.187 25 HB3 SER 6 2HB SER 6 4.165 11.605 -1.451 26 HG SER 6 HG SER 6 3.745 9.486 -1.015 27 H GLY 7 H GLY 7 5.273 8.526 -1.774 28 HA2 GLY 7 1HA GLY 7 5.552 8.995 -4.666 29 HA3 GLY 7 2HA GLY 7 6.282 7.568 -3.949 30 H TRP 8 H TRP 8 4.591 7.066 -5.909 31 HA TRP 8 HA TRP 8 1.911 6.666 -4.867 32 HB2 TRP 8 1HB TRP 8 3.185 6.118 -7.548 33 HB3 TRP 8 2HB TRP 8 1.535 5.633 -7.162 34 HD1 TRP 8 HD1 TRP 8 3.648 8.881 -7.325 35 HE1 TRP 8 HE1 TRP 8 2.082 10.810 -7.998 36 HE3 TRP 8 HE3 TRP 8 -0.786 6.337 -7.402 37 HZ2 TRP 8 HZ2 TRP 8 -0.668 11.201 -8.495 38 HZ3 TRP 8 HZ3 TRP 8 -2.839 7.564 -7.986 39 HH2 TRP 8 HH2 TRP 8 -2.779 9.945 -8.520 40 H THR 9 H THR 9 4.322 4.536 -6.417 41 HA THR 9 HA THR 9 3.310 2.091 -6.007 42 HB THR 9 HB THR 9 5.606 1.218 -5.640 43 HG1 THR 9 HG1 THR 9 7.125 2.509 -4.926 44 HG21 THR 9 3HG2 THR 9 6.596 2.187 -7.725 45 HG22 THR 9 1HG2 THR 9 5.273 3.352 -7.748 46 HG23 THR 9 2HG2 THR 9 4.934 1.628 -7.907 47 H CYS 10 H CYS 10 3.142 0.560 -4.383 48 HA CYS 10 HA CYS 10 3.197 1.649 -1.663 49 HB2 CYS 10 1HB CYS 10 1.747 -0.663 -2.935 50 HB3 CYS 10 2HB CYS 10 1.871 -0.509 -1.185 51 H ASN 11 H ASN 11 4.078 0.428 0.077 52 HA ASN 11 HA ASN 11 6.291 -1.312 -0.767 53 HB2 ASN 11 1HB ASN 11 5.961 0.129 1.872 54 HB3 ASN 11 2HB ASN 11 7.402 -0.704 1.294 55 HD21 ASN 11 1HD2 ASN 11 8.864 0.419 0.198 56 HD22 ASN 11 2HD2 ASN 11 8.650 2.026 -0.397 57 H LYS 12 H LYS 12 6.542 -3.337 0.055 58 HA LYS 12 HA LYS 12 4.542 -4.986 0.664 59 HB2 LYS 12 1HB LYS 12 7.034 -5.523 0.504 60 HB3 LYS 12 2HB LYS 12 7.115 -5.174 2.226 61 HG2 LYS 12 1HG LYS 12 6.902 -7.506 2.050 62 HG3 LYS 12 2HG LYS 12 5.308 -6.917 2.530 63 HD2 LYS 12 1HD LYS 12 4.766 -6.912 0.025 64 HD3 LYS 12 2HD LYS 12 6.218 -7.897 -0.161 65 HE2 LYS 12 1HE LYS 12 5.230 -9.448 1.573 66 HE3 LYS 12 2HE LYS 12 3.730 -8.537 1.410 67 HZ1 LYS 12 3HZ LYS 12 4.921 -9.473 -1.068 68 HZ2 LYS 12 1HZ LYS 12 3.298 -9.436 -0.590 69 HZ3 LYS 12 2HZ LYS 12 4.312 -10.678 -0.050 70 H PHE 13 H PHE 13 6.208 -2.977 3.063 71 HA PHE 13 HA PHE 13 4.701 -3.906 5.283 72 HB2 PHE 13 1HB PHE 13 6.170 -1.278 4.988 73 HB3 PHE 13 2HB PHE 13 5.682 -2.041 6.497 74 HD1 PHE 13 HD2 PHE 13 6.510 -4.701 6.442 75 HD2 PHE 13 HD1 PHE 13 8.427 -1.348 4.655 76 HE1 PHE 13 HE2 PHE 13 8.664 -5.886 6.539 77 HE2 PHE 13 HE1 PHE 13 10.585 -2.528 4.747 78 HZ PHE 13 HZ PHE 13 10.706 -4.799 5.692 79 H ARG 14 H ARG 14 4.512 -0.924 3.345 80 HA ARG 14 HA ARG 14 2.474 0.401 4.555 81 HB2 ARG 14 1HB ARG 14 2.867 0.032 1.579 82 HB3 ARG 14 2HB ARG 14 1.843 1.261 2.310 83 HG2 ARG 14 1HG ARG 14 4.712 1.104 3.097 84 HG3 ARG 14 2HG ARG 14 4.272 1.831 1.551 85 HD2 ARG 14 1HD ARG 14 2.516 3.097 3.092 86 HD3 ARG 14 2HD ARG 14 3.738 2.762 4.319 87 HE ARG 14 HE ARG 14 4.726 3.962 1.878 88 HH11 ARG 14 1HH1 ARG 14 3.546 4.475 5.113 89 HH12 ARG 14 2HH1 ARG 14 4.273 6.040 5.270 90 HH21 ARG 14 1HH2 ARG 14 5.689 6.021 2.073 91 HH22 ARG 14 2HH2 ARG 14 5.491 6.918 3.540 92 H CYS 15 H CYS 15 2.132 -2.291 2.269 93 HA CYS 15 HA CYS 15 -0.472 -2.478 1.748 94 HB2 CYS 15 1HB CYS 15 1.236 -4.744 2.799 95 HB3 CYS 15 2HB CYS 15 -0.305 -4.954 1.973 96 H GLY 16 H GLY 16 -2.333 -2.405 2.819 97 HA2 GLY 16 1HA GLY 16 -3.879 -2.559 4.511 98 HA3 GLY 16 2HA GLY 16 -2.836 -3.770 5.242 99 H GLU 17 H GLU 17 -2.630 -0.258 4.638 100 HA GLU 17 HA GLU 17 -1.816 0.058 7.453 101 HB2 GLU 17 1HB GLU 17 -0.628 2.105 6.723 102 HB3 GLU 17 2HB GLU 17 -0.004 0.647 5.964 103 HG2 GLU 17 1HG GLU 17 -0.897 1.183 3.894 104 HG3 GLU 17 2HG GLU 17 -2.058 2.318 4.581 105 H LYS 18 H LYS 18 -2.488 2.017 8.527 106 HA LYS 18 HA LYS 18 -4.830 3.333 7.340 107 HB2 LYS 18 1HB LYS 18 -6.111 3.109 9.352 108 HB3 LYS 18 2HB LYS 18 -5.550 1.506 8.895 109 HG2 LYS 18 1HG LYS 18 -3.910 3.080 10.809 110 HG3 LYS 18 2HG LYS 18 -5.415 2.355 11.379 111 HD2 LYS 18 1HD LYS 18 -4.665 0.163 10.668 112 HD3 LYS 18 2HD LYS 18 -3.197 0.861 9.981 113 HE2 LYS 18 1HE LYS 18 -2.640 -0.086 12.102 114 HE3 LYS 18 2HE LYS 18 -2.602 1.668 12.266 115 HZ1 LYS 18 3HZ LYS 18 -5.037 0.154 12.952 116 HZ2 LYS 18 1HZ LYS 18 -4.545 1.679 13.493 117 HZ3 LYS 18 2HZ LYS 18 -3.770 0.288 14.065 118 H ARG 19 H ARG 19 -2.192 4.322 7.494 119 HA ARG 19 HA ARG 19 -2.539 6.500 9.449 120 HB2 ARG 19 1HB ARG 19 -0.036 5.053 8.602 121 HB3 ARG 19 2HB ARG 19 0.019 6.646 9.345 122 HG2 ARG 19 1HG ARG 19 -1.281 5.663 11.268 123 HG3 ARG 19 2HG ARG 19 -0.978 4.081 10.546 124 HD2 ARG 19 1HD ARG 19 1.265 4.149 11.006 125 HD3 ARG 19 2HD ARG 19 1.329 5.910 10.968 126 HE ARG 19 HE ARG 19 0.748 5.963 13.200 127 HH11 ARG 19 1HH1 ARG 19 0.428 2.729 11.951 128 HH12 ARG 19 2HH1 ARG 19 0.233 2.005 13.513 129 HH21 ARG 19 1HH2 ARG 19 0.494 5.022 15.262 130 HH22 ARG 19 2HH2 ARG 19 0.271 3.310 15.396 131 H LEU 20 H LEU 20 -1.164 8.467 8.791 132 HA LEU 20 HA LEU 20 -0.854 10.199 7.352 133 HB2 LEU 20 1HB LEU 20 -0.393 7.929 5.427 134 HB3 LEU 20 2HB LEU 20 -0.085 9.623 5.052 135 HG LEU 20 HG LEU 20 1.266 8.409 7.416 136 HD11 LEU 20 1HD1 LEU 20 2.713 7.132 6.264 137 HD12 LEU 20 2HD1 LEU 20 2.725 8.213 4.872 138 HD13 LEU 20 3HD1 LEU 20 1.410 7.058 5.079 139 HD21 LEU 20 3HD2 LEU 20 1.701 10.657 5.510 140 HD22 LEU 20 1HD2 LEU 20 3.095 9.930 6.308 141 HD23 LEU 20 2HD2 LEU 20 1.796 10.635 7.271 142 H THR 21 H THR 21 -3.435 9.830 7.865 143 HA THR 21 HA THR 21 -5.306 9.198 6.034 144 HB THR 21 HB THR 21 -5.314 11.753 7.653 145 HG1 THR 21 HG1 THR 21 -5.111 9.980 9.009 146 HG21 THR 21 3HG2 THR 21 -7.112 12.093 6.278 147 HG22 THR 21 1HG2 THR 21 -7.883 11.110 7.522 148 HG23 THR 21 2HG2 THR 21 -7.369 10.371 6.005 149 H ARG 22 H ARG 22 -3.113 11.918 5.859 150 HA ARG 22 HA ARG 22 -4.410 12.860 3.405 151 HB2 ARG 22 1HB ARG 22 -2.994 14.853 3.643 152 HB3 ARG 22 2HB ARG 22 -3.953 14.564 5.089 153 HG2 ARG 22 1HG ARG 22 -1.786 13.295 5.871 154 HG3 ARG 22 2HG ARG 22 -1.019 14.348 4.681 155 HD2 ARG 22 1HD ARG 22 -2.923 15.564 6.610 156 HD3 ARG 22 2HD ARG 22 -1.336 15.081 7.207 157 HE ARG 22 HE ARG 22 -0.767 16.511 4.976 158 HH11 ARG 22 1HH1 ARG 22 -2.670 17.141 7.821 159 HH12 ARG 22 2HH1 ARG 22 -2.385 18.850 7.793 160 HH21 ARG 22 1HH2 ARG 22 -0.383 18.760 4.928 161 HH22 ARG 22 2HH2 ARG 22 -1.084 19.769 6.147 162 H SER 23 H SER 23 -3.260 10.485 2.973 163 HA SER 23 HA SER 23 -0.608 11.012 1.828 164 HB2 SER 23 1HB SER 23 -0.217 8.674 1.866 165 HB3 SER 23 2HB SER 23 -1.027 9.028 3.391 166 HG SER 23 HG SER 23 -1.932 7.614 1.177 167 H LEU 24 H LEU 24 -0.256 11.011 -0.315 168 HA LEU 24 HA LEU 24 -2.022 11.587 -2.219 169 HB2 LEU 24 1HB LEU 24 0.569 11.008 -2.296 170 HB3 LEU 24 2HB LEU 24 -0.043 9.524 -3.023 171 HG LEU 24 HG LEU 24 -0.568 12.306 -4.067 172 HD11 LEU 24 1HD1 LEU 24 1.799 10.923 -4.192 173 HD12 LEU 24 2HD1 LEU 24 1.278 12.182 -5.311 174 HD13 LEU 24 3HD1 LEU 24 1.006 10.485 -5.705 175 HD21 LEU 24 3HD2 LEU 24 -1.379 11.096 -6.059 176 HD22 LEU 24 1HD2 LEU 24 -2.353 10.774 -4.624 177 HD23 LEU 24 2HD2 LEU 24 -1.189 9.574 -5.186 178 H CYS 25 H CYS 25 -1.023 8.195 -1.721 179 HA CYS 25 HA CYS 25 -3.743 7.376 -2.491 180 HB2 CYS 25 1HB CYS 25 -2.805 5.469 -3.719 181 HB3 CYS 25 2HB CYS 25 -2.242 6.996 -4.392 182 H ALA 26 H ALA 26 -4.509 5.453 -1.546 183 HA ALA 26 HA ALA 26 -3.264 4.854 1.019 184 HB1 ALA 26 3HB ALA 26 -5.496 3.366 1.048 185 HB2 ALA 26 1HB ALA 26 -5.461 5.072 1.493 186 HB3 ALA 26 2HB ALA 26 -5.972 4.593 -0.125 187 H CYS 27 H CYS 27 -2.549 2.846 1.649 188 HA CYS 27 HA CYS 27 -2.281 0.852 -0.505 189 HB2 CYS 27 1HB CYS 27 -0.436 1.487 1.804 190 HB3 CYS 27 2HB CYS 27 -0.246 0.081 0.762 191 H SER 28 H SER 28 -4.586 0.902 1.052 192 HA SER 28 HA SER 28 -4.228 -1.480 2.753 193 HB2 SER 28 1HB SER 28 -6.286 -0.694 3.967 194 HB3 SER 28 2HB SER 28 -4.888 0.365 4.151 195 HG SER 28 HG SER 28 -7.222 0.749 2.623 196 H ASP 29 H ASP 29 -6.329 -2.753 2.969 197 HA ASP 29 HA ASP 29 -7.257 -3.353 0.290 198 HB2 ASP 29 1HB ASP 29 -8.594 -5.128 1.773 199 HB3 ASP 29 2HB ASP 29 -6.904 -5.356 1.333 200 H ASP 30 H ASP 30 -8.095 -0.889 1.815 201 HA ASP 30 HA ASP 30 -11.006 -1.342 1.775 202 HB2 ASP 30 1HB ASP 30 -9.352 0.681 3.291 203 HB3 ASP 30 2HB ASP 30 -11.109 0.759 3.175 204 H CYS 31 H CYS 31 -8.372 0.629 0.594 205 HA CYS 31 HA CYS 31 -9.944 2.646 -0.628 206 HB2 CYS 31 1HB CYS 31 -7.841 3.065 -1.972 207 HB3 CYS 31 2HB CYS 31 -7.650 3.135 -0.224 208 H LYS 32 H LYS 32 -9.221 -0.595 -1.478 209 HA LYS 32 HA LYS 32 -9.329 -0.551 -4.251 210 HB2 LYS 32 1HB LYS 32 -10.275 -2.624 -2.273 211 HB3 LYS 32 2HB LYS 32 -10.275 -2.895 -4.011 212 HG2 LYS 32 1HG LYS 32 -7.748 -2.139 -3.750 213 HG3 LYS 32 2HG LYS 32 -8.008 -2.737 -2.109 214 HD2 LYS 32 1HD LYS 32 -8.900 -4.422 -4.398 215 HD3 LYS 32 2HD LYS 32 -7.174 -4.335 -4.038 216 HE2 LYS 32 1HE LYS 32 -9.304 -5.045 -2.026 217 HE3 LYS 32 2HE LYS 32 -8.352 -6.225 -2.924 218 HZ1 LYS 32 3HZ LYS 32 -6.468 -5.732 -1.758 219 HZ2 LYS 32 1HZ LYS 32 -7.625 -5.441 -0.557 220 HZ3 LYS 32 2HZ LYS 32 -6.944 -4.147 -1.408 221 H ASP 33 H ASP 33 -11.942 -0.505 -1.888 222 HA ASP 33 HA ASP 33 -14.049 -0.814 -3.775 223 HB2 ASP 33 1HB ASP 33 -13.900 0.076 -0.911 224 HB3 ASP 33 2HB ASP 33 -15.404 0.240 -1.813 225 H GLN 34 H GLN 34 -12.942 2.046 -1.948 226 HA GLN 34 HA GLN 34 -14.546 3.909 -3.273 227 HB2 GLN 34 1HB GLN 34 -11.931 4.161 -1.804 228 HB3 GLN 34 2HB GLN 34 -12.725 5.557 -2.519 229 HG2 GLN 34 1HG GLN 34 -14.308 3.803 -0.720 230 HG3 GLN 34 2HG GLN 34 -13.109 4.881 -0.007 231 HE21 GLN 34 1HE2 GLN 34 -15.491 5.411 0.816 232 HE22 GLN 34 2HE2 GLN 34 -16.200 6.773 0.023 233 H GLY 35 H GLY 35 -11.053 3.335 -3.770 234 HA2 GLY 35 1HA GLY 35 -10.407 2.918 -6.153 235 HA3 GLY 35 2HA GLY 35 -11.421 4.301 -6.540 236 H ASP 36 H ASP 36 -9.023 3.805 -3.962 237 HA ASP 36 HA ASP 36 -7.538 6.111 -5.042 238 HB2 ASP 36 1HB ASP 36 -8.853 6.321 -2.776 239 HB3 ASP 36 2HB ASP 36 -7.475 5.437 -2.125 240 H CYS 37 H CYS 37 -7.439 2.886 -3.821 241 HA CYS 37 HA CYS 37 -4.976 2.367 -2.936 242 HB2 CYS 37 1HB CYS 37 -6.530 0.866 -5.039 243 HB3 CYS 37 2HB CYS 37 -5.020 0.250 -4.376 244 H CYS 38 H CYS 38 -2.907 2.513 -3.564 245 HA CYS 38 HA CYS 38 -2.105 4.108 -5.682 246 HB2 CYS 38 1HB CYS 38 -0.455 1.897 -4.445 247 HB3 CYS 38 2HB CYS 38 0.144 3.347 -5.244 248 H ILE 39 H ILE 39 -1.651 3.794 -7.787 249 HA ILE 39 HA ILE 39 -2.754 1.841 -9.311 250 HB ILE 39 HB ILE 39 -1.746 3.839 -10.282 251 HG12 ILE 39 1HG1 ILE 39 -0.369 1.430 -11.467 252 HG13 ILE 39 2HG1 ILE 39 -2.103 1.693 -11.611 253 HG21 ILE 39 1HG2 ILE 39 0.888 2.516 -9.649 254 HG22 ILE 39 2HG2 ILE 39 0.688 3.969 -10.626 255 HG23 ILE 39 3HG2 ILE 39 0.250 3.988 -8.918 256 HD11 ILE 39 3HD1 ILE 39 -0.128 3.762 -12.491 257 HD12 ILE 39 1HD1 ILE 39 -0.613 2.432 -13.541 258 HD13 ILE 39 2HD1 ILE 39 -1.820 3.576 -12.954 259 H ASN 40 H ASN 40 0.297 1.676 -7.595 260 HA ASN 40 HA ASN 40 0.728 -1.041 -8.631 261 HB2 ASN 40 1HB ASN 40 2.534 0.852 -8.727 262 HB3 ASN 40 2HB ASN 40 2.772 0.458 -7.028 263 HD21 ASN 40 1HD2 ASN 40 4.467 -0.790 -6.782 264 HD22 ASN 40 2HD2 ASN 40 4.926 -2.103 -7.807 265 H TYR 41 H TYR 41 -1.280 -0.813 -6.791 266 HA TYR 41 HA TYR 41 -0.303 -1.297 -4.128 267 HB2 TYR 41 1HB TYR 41 -2.443 -0.212 -4.374 268 HB3 TYR 41 2HB TYR 41 -3.057 -1.540 -5.352 269 HD1 TYR 41 HD1 TYR 41 -1.583 -0.954 -1.965 270 HD2 TYR 41 HD2 TYR 41 -4.401 -3.105 -4.318 271 HE1 TYR 41 HE1 TYR 41 -2.437 -2.045 0.067 272 HE2 TYR 41 HE2 TYR 41 -5.264 -4.202 -2.292 273 HH TYR 41 HH TYR 41 -5.338 -3.881 0.086 274 H SER 42 H SER 42 -1.811 -3.262 -6.676 275 HA SER 42 HA SER 42 -1.670 -5.697 -5.211 276 HB2 SER 42 1HB SER 42 -3.293 -5.669 -6.915 277 HB3 SER 42 2HB SER 42 -2.161 -5.023 -8.105 278 HG SER 42 HG SER 42 -1.711 -6.998 -8.617 279 H SER 43 H SER 43 0.129 -4.657 -8.114 280 HA SER 43 HA SER 43 1.940 -6.604 -8.423 281 HB2 SER 43 1HB SER 43 1.863 -4.455 -9.715 282 HB3 SER 43 2HB SER 43 2.745 -3.687 -8.394 283 HG SER 43 HG SER 43 3.709 -5.127 -10.422 284 H VAL 44 H VAL 44 2.001 -4.194 -5.857 285 HA VAL 44 HA VAL 44 4.489 -5.234 -4.777 286 HB VAL 44 HB VAL 44 2.649 -3.082 -3.720 287 HG11 VAL 44 1HG1 VAL 44 3.880 -2.985 -1.871 288 HG12 VAL 44 2HG1 VAL 44 4.618 -4.511 -2.361 289 HG13 VAL 44 3HG1 VAL 44 5.381 -2.981 -2.797 290 HG21 VAL 44 3HG2 VAL 44 4.114 -2.898 -5.953 291 HG22 VAL 44 1HG2 VAL 44 3.851 -1.536 -4.864 292 HG23 VAL 44 2HG2 VAL 44 5.346 -2.465 -4.768 293 H CYS 45 H CYS 45 1.111 -4.903 -3.693 294 HA CYS 45 HA CYS 45 1.572 -6.596 -1.403 295 HB2 CYS 45 1HB CYS 45 -1.022 -5.507 -2.516 296 HB3 CYS 45 2HB CYS 45 -0.808 -6.257 -0.937 297 H GLN 46 H GLN 46 -0.976 -6.856 -3.872 298 HA GLN 46 HA GLN 46 -1.030 -9.720 -3.581 299 HB2 GLN 46 1HB GLN 46 -2.524 -7.911 -5.487 300 HB3 GLN 46 2HB GLN 46 -2.843 -9.624 -5.252 301 HG2 GLN 46 1HG GLN 46 -2.957 -7.735 -2.941 302 HG3 GLN 46 2HG GLN 46 -4.317 -7.877 -4.053 303 HE21 GLN 46 1HE2 GLN 46 -5.262 -9.998 -4.328 304 HE22 GLN 46 2HE2 GLN 46 -5.237 -11.116 -3.011 305 H GLY 47 H GLY 47 1.479 -8.972 -4.429 306 HA2 GLY 47 1HA GLY 47 1.495 -9.808 -7.264 307 HA3 GLY 47 2HA GLY 47 2.720 -8.776 -6.541 308 H GLU 48 H GLU 48 3.851 -9.827 -4.591 309 HA GLU 48 HA GLU 48 4.302 -12.684 -5.139 310 HB2 GLU 48 1HB GLU 48 6.096 -10.952 -5.948 311 HB3 GLU 48 2HB GLU 48 6.547 -10.913 -4.249 312 HG2 GLU 48 1HG GLU 48 6.278 -13.562 -5.560 313 HG3 GLU 48 2HG GLU 48 7.680 -12.570 -5.957 314 H LYS 49 H LYS 49 3.135 -13.417 -3.397 315 HA LYS 49 HA LYS 49 3.893 -12.443 -0.736 316 HB2 LYS 49 1HB LYS 49 1.441 -12.649 -1.574 317 HB3 LYS 49 2HB LYS 49 1.652 -14.369 -1.275 318 HG2 LYS 49 1HG LYS 49 0.702 -13.619 0.691 319 HG3 LYS 49 2HG LYS 49 2.425 -13.628 1.076 320 HD2 LYS 49 1HD LYS 49 2.584 -11.272 0.800 321 HD3 LYS 49 2HD LYS 49 0.974 -11.182 0.082 322 HE2 LYS 49 1HE LYS 49 1.581 -11.990 2.924 323 HE3 LYS 49 2HE LYS 49 1.002 -10.405 2.416 324 HZ1 LYS 49 3HZ LYS 49 -0.457 -12.969 2.070 325 HZ2 LYS 49 1HZ LYS 49 -1.012 -11.447 1.583 326 HZ3 LYS 49 2HZ LYS 49 -0.803 -11.785 3.227 327 H SER 50 H SER 50 4.499 -13.878 0.918 328 HA SER 50 HA SER 50 5.828 -16.280 -0.064 329 HB2 SER 50 1HB SER 50 6.062 -14.599 2.407 330 HB3 SER 50 2HB SER 50 6.661 -16.258 2.426 331 HG SER 50 HG SER 50 7.401 -14.310 0.499 332 H SER 51 H SER 51 3.857 -15.451 2.793 333 HA SER 51 HA SER 51 3.133 -18.229 3.154 334 HB2 SER 51 1HB SER 51 2.189 -15.785 4.671 335 HB3 SER 51 2HB SER 51 1.978 -17.465 5.163 336 HG SER 51 HG SER 51 4.126 -15.831 5.463 337 H GLY 52 H GLY 52 1.983 -18.567 1.177 338 HA2 GLY 52 1HA GLY 52 -0.430 -17.046 0.678 339 HA3 GLY 52 2HA GLY 52 0.169 -18.399 -0.270 340 HA PRO 53 HA PRO 53 -3.565 -19.899 1.969 341 HB2 PRO 53 1HB PRO 53 -4.495 -21.363 -0.120 342 HB3 PRO 53 2HB PRO 53 -4.836 -19.639 0.072 343 HG2 PRO 53 1HG PRO 53 -2.785 -20.984 -1.644 344 HG3 PRO 53 2HG PRO 53 -3.855 -19.626 -2.037 345 HD2 PRO 53 1HD PRO 53 -1.255 -19.285 -1.361 346 HD3 PRO 53 2HD PRO 53 -2.509 -18.093 -0.963 347 H SER 54 H SER 54 -0.810 -21.296 0.527 348 HA SER 54 HA SER 54 -1.252 -24.021 0.711 349 HB2 SER 54 1HB SER 54 0.842 -22.633 -0.083 350 HB3 SER 54 2HB SER 54 1.395 -22.911 1.568 351 HG SER 54 HG SER 54 2.119 -24.666 0.559 352 H SER 55 H SER 55 -0.160 -21.779 3.232 353 HA SER 55 HA SER 55 0.091 -23.789 5.239 354 HB2 SER 55 1HB SER 55 -0.163 -20.783 5.503 355 HB3 SER 55 2HB SER 55 0.297 -21.881 6.803 356 HG SER 55 HG SER 55 1.706 -21.640 4.353 357 H GLY 56 H GLY 56 -1.309 -24.405 6.840 358 HA2 GLY 56 1HA GLY 56 -3.909 -23.095 7.045 359 HA3 GLY 56 2HA GLY 56 -3.912 -24.773 6.524 Start of MODEL 10 1 H1 GLY 1 H GLY 1 21.786 10.774 -1.103 2 HA2 GLY 1 1HA GLY 1 21.084 12.105 1.049 3 HA3 GLY 1 2HA GLY 1 21.193 13.452 -0.075 4 H SER 2 H SER 2 19.441 10.551 0.777 5 HA SER 2 HA SER 2 17.611 10.437 -1.318 6 HB2 SER 2 1HB SER 2 17.178 9.752 1.600 7 HB3 SER 2 2HB SER 2 16.129 9.251 0.273 8 HG SER 2 HG SER 2 17.517 7.755 -0.252 9 H SER 3 H SER 3 15.157 10.833 -0.895 10 HA SER 3 HA SER 3 14.876 13.685 -0.468 11 HB2 SER 3 1HB SER 3 12.594 13.366 -1.343 12 HB3 SER 3 2HB SER 3 13.799 12.649 -2.414 13 HG SER 3 HG SER 3 12.563 10.952 -2.226 14 H GLY 4 H GLY 4 13.465 10.697 0.851 15 HA2 GLY 4 1HA GLY 4 13.412 11.506 3.500 16 HA3 GLY 4 2HA GLY 4 11.881 12.021 2.808 17 H SER 5 H SER 5 10.275 10.640 3.092 18 HA SER 5 HA SER 5 10.926 7.791 3.446 19 HB2 SER 5 1HB SER 5 8.836 9.571 4.633 20 HB3 SER 5 2HB SER 5 8.478 7.855 4.444 21 HG SER 5 HG SER 5 9.504 7.715 6.280 22 H SER 6 H SER 6 8.778 6.442 2.957 23 HA SER 6 HA SER 6 8.514 6.004 0.342 24 HB2 SER 6 1HB SER 6 7.336 4.661 2.013 25 HB3 SER 6 2HB SER 6 6.203 5.982 2.300 26 HG SER 6 HG SER 6 5.339 5.683 0.303 27 H GLY 7 H GLY 7 7.625 6.886 -1.447 28 HA2 GLY 7 1HA GLY 7 6.486 9.571 -1.157 29 HA3 GLY 7 2HA GLY 7 7.145 8.882 -2.633 30 H TRP 8 H TRP 8 5.819 7.827 -4.031 31 HA TRP 8 HA TRP 8 3.011 7.493 -3.208 32 HB2 TRP 8 1HB TRP 8 4.107 8.680 -5.754 33 HB3 TRP 8 2HB TRP 8 2.460 8.068 -5.640 34 HD1 TRP 8 HD1 TRP 8 4.137 11.215 -5.516 35 HE1 TRP 8 HE1 TRP 8 2.850 12.964 -4.134 36 HE3 TRP 8 HE3 TRP 8 0.951 8.093 -3.020 37 HZ2 TRP 8 HZ2 TRP 8 0.761 13.014 -2.237 38 HZ3 TRP 8 HZ3 TRP 8 -0.661 9.071 -1.438 39 HH2 TRP 8 HH2 TRP 8 -0.751 11.481 -1.057 40 H THR 9 H THR 9 4.682 5.392 -2.961 41 HA THR 9 HA THR 9 3.649 3.565 -4.975 42 HB THR 9 HB THR 9 5.805 2.525 -5.427 43 HG1 THR 9 HG1 THR 9 7.499 2.991 -4.249 44 HG21 THR 9 3HG2 THR 9 6.912 4.480 -6.621 45 HG22 THR 9 1HG2 THR 9 5.636 5.487 -5.937 46 HG23 THR 9 2HG2 THR 9 5.226 4.164 -7.029 47 H CYS 10 H CYS 10 2.548 2.248 -3.657 48 HA CYS 10 HA CYS 10 2.995 1.694 -1.003 49 HB2 CYS 10 1HB CYS 10 1.716 0.068 -3.188 50 HB3 CYS 10 2HB CYS 10 1.800 -0.533 -1.535 51 H ASN 11 H ASN 11 3.676 -0.396 -0.010 52 HA ASN 11 HA ASN 11 5.716 -1.875 -1.453 53 HB2 ASN 11 1HB ASN 11 6.309 -0.100 0.906 54 HB3 ASN 11 2HB ASN 11 7.313 -1.500 0.538 55 HD21 ASN 11 1HD2 ASN 11 6.613 1.734 -0.192 56 HD22 ASN 11 2HD2 ASN 11 7.711 1.925 -1.511 57 H LYS 12 H LYS 12 6.308 -3.844 -0.438 58 HA LYS 12 HA LYS 12 4.353 -5.357 0.664 59 HB2 LYS 12 1HB LYS 12 7.326 -5.493 0.819 60 HB3 LYS 12 2HB LYS 12 6.398 -6.577 1.846 61 HG2 LYS 12 1HG LYS 12 5.480 -7.709 0.041 62 HG3 LYS 12 2HG LYS 12 5.822 -6.391 -1.084 63 HD2 LYS 12 1HD LYS 12 8.309 -6.907 -0.503 64 HD3 LYS 12 2HD LYS 12 7.670 -8.463 0.035 65 HE2 LYS 12 1HE LYS 12 8.139 -8.951 -2.151 66 HE3 LYS 12 2HE LYS 12 6.472 -8.401 -2.308 67 HZ1 LYS 12 3HZ LYS 12 7.814 -7.374 -3.989 68 HZ2 LYS 12 1HZ LYS 12 8.917 -6.802 -2.840 69 HZ3 LYS 12 2HZ LYS 12 7.343 -6.185 -2.880 70 H PHE 13 H PHE 13 6.625 -3.306 2.430 71 HA PHE 13 HA PHE 13 5.736 -4.090 5.018 72 HB2 PHE 13 1HB PHE 13 7.477 -1.927 3.922 73 HB3 PHE 13 2HB PHE 13 6.862 -1.750 5.563 74 HD1 PHE 13 HD1 PHE 13 8.492 -4.331 3.417 75 HD2 PHE 13 HD2 PHE 13 8.151 -2.564 7.274 76 HE1 PHE 13 HE1 PHE 13 10.290 -5.793 4.242 77 HE2 PHE 13 HE2 PHE 13 9.951 -4.022 8.104 78 HZ PHE 13 HZ PHE 13 11.024 -5.638 6.588 79 H ARG 14 H ARG 14 5.199 -1.126 3.110 80 HA ARG 14 HA ARG 14 3.475 0.184 4.814 81 HB2 ARG 14 1HB ARG 14 3.386 0.120 1.792 82 HB3 ARG 14 2HB ARG 14 2.581 1.313 2.803 83 HG2 ARG 14 1HG ARG 14 4.838 1.933 3.702 84 HG3 ARG 14 2HG ARG 14 5.536 0.891 2.460 85 HD2 ARG 14 1HD ARG 14 5.546 3.136 1.637 86 HD3 ARG 14 2HD ARG 14 4.319 2.233 0.750 87 HE ARG 14 HE ARG 14 2.750 3.661 1.582 88 HH11 ARG 14 1HH1 ARG 14 5.577 3.815 3.608 89 HH12 ARG 14 2HH1 ARG 14 4.967 5.109 4.585 90 HH21 ARG 14 1HH2 ARG 14 1.935 5.364 2.862 91 HH22 ARG 14 2HH2 ARG 14 2.894 5.989 4.161 92 H CYS 15 H CYS 15 2.689 -2.246 2.354 93 HA CYS 15 HA CYS 15 0.033 -2.304 2.201 94 HB2 CYS 15 1HB CYS 15 1.719 -4.741 2.813 95 HB3 CYS 15 2HB CYS 15 0.107 -4.767 2.106 96 H GLY 16 H GLY 16 -1.208 -1.553 3.856 97 HA2 GLY 16 1HA GLY 16 -2.668 -2.561 5.587 98 HA3 GLY 16 2HA GLY 16 -1.197 -3.172 6.331 99 H GLU 17 H GLU 17 -1.877 0.044 4.994 100 HA GLU 17 HA GLU 17 -1.097 1.187 7.580 101 HB2 GLU 17 1HB GLU 17 -0.554 3.190 6.428 102 HB3 GLU 17 2HB GLU 17 0.085 1.873 5.455 103 HG2 GLU 17 1HG GLU 17 -1.429 2.188 3.773 104 HG3 GLU 17 2HG GLU 17 -2.633 2.906 4.841 105 H LYS 18 H LYS 18 -2.285 3.002 8.435 106 HA LYS 18 HA LYS 18 -5.045 3.260 7.484 107 HB2 LYS 18 1HB LYS 18 -5.952 3.009 9.711 108 HB3 LYS 18 2HB LYS 18 -5.019 1.576 9.303 109 HG2 LYS 18 1HG LYS 18 -4.252 1.917 11.408 110 HG3 LYS 18 2HG LYS 18 -3.102 2.929 10.533 111 HD2 LYS 18 1HD LYS 18 -3.756 4.414 12.138 112 HD3 LYS 18 2HD LYS 18 -4.984 4.757 10.917 113 HE2 LYS 18 1HE LYS 18 -6.649 3.736 12.109 114 HE3 LYS 18 2HE LYS 18 -5.543 2.615 12.901 115 HZ1 LYS 18 3HZ LYS 18 -6.224 5.375 13.626 116 HZ2 LYS 18 1HZ LYS 18 -4.684 4.794 14.014 117 HZ3 LYS 18 2HZ LYS 18 -6.058 4.012 14.615 118 H ARG 19 H ARG 19 -6.179 5.076 8.765 119 HA ARG 19 HA ARG 19 -6.299 7.328 9.093 120 HB2 ARG 19 1HB ARG 19 -3.957 6.471 10.748 121 HB3 ARG 19 2HB ARG 19 -4.349 8.181 10.627 122 HG2 ARG 19 1HG ARG 19 -6.541 6.302 11.312 123 HG3 ARG 19 2HG ARG 19 -5.325 6.650 12.543 124 HD2 ARG 19 1HD ARG 19 -6.965 8.696 11.052 125 HD3 ARG 19 2HD ARG 19 -7.248 8.159 12.707 126 HE ARG 19 HE ARG 19 -4.617 9.246 12.193 127 HH11 ARG 19 1HH1 ARG 19 -7.876 9.872 13.245 128 HH12 ARG 19 2HH1 ARG 19 -7.458 11.310 14.117 129 HH21 ARG 19 1HH2 ARG 19 -4.053 11.137 13.338 130 HH22 ARG 19 2HH2 ARG 19 -5.282 12.029 14.168 131 H LEU 20 H LEU 20 -5.499 6.974 6.621 132 HA LEU 20 HA LEU 20 -3.116 8.654 6.232 133 HB2 LEU 20 1HB LEU 20 -3.240 7.783 3.866 134 HB3 LEU 20 2HB LEU 20 -2.809 6.614 5.113 135 HG LEU 20 HG LEU 20 -5.661 6.808 4.279 136 HD11 LEU 20 1HD1 LEU 20 -3.464 6.159 2.489 137 HD12 LEU 20 2HD1 LEU 20 -5.168 6.446 2.137 138 HD13 LEU 20 3HD1 LEU 20 -4.632 4.846 2.648 139 HD21 LEU 20 3HD2 LEU 20 -4.543 5.311 6.114 140 HD22 LEU 20 1HD2 LEU 20 -4.100 4.309 4.732 141 HD23 LEU 20 2HD2 LEU 20 -5.798 4.653 5.063 142 H THR 21 H THR 21 -4.002 10.684 6.417 143 HA THR 21 HA THR 21 -6.409 11.625 5.489 144 HB THR 21 HB THR 21 -5.336 13.868 5.322 145 HG1 THR 21 HG1 THR 21 -3.208 12.645 4.728 146 HG21 THR 21 3HG2 THR 21 -5.304 12.102 7.649 147 HG22 THR 21 1HG2 THR 21 -5.893 13.756 7.494 148 HG23 THR 21 2HG2 THR 21 -4.179 13.453 7.782 149 H ARG 22 H ARG 22 -6.531 13.388 3.665 150 HA ARG 22 HA ARG 22 -6.781 12.303 1.245 151 HB2 ARG 22 1HB ARG 22 -5.672 15.067 1.765 152 HB3 ARG 22 2HB ARG 22 -6.348 14.528 0.233 153 HG2 ARG 22 1HG ARG 22 -7.933 14.449 2.777 154 HG3 ARG 22 2HG ARG 22 -7.848 15.893 1.766 155 HD2 ARG 22 1HD ARG 22 -8.645 13.204 0.684 156 HD3 ARG 22 2HD ARG 22 -9.813 14.330 1.375 157 HE ARG 22 HE ARG 22 -8.551 15.848 -0.453 158 HH11 ARG 22 1HH1 ARG 22 -10.009 12.691 -0.617 159 HH12 ARG 22 2HH1 ARG 22 -10.452 12.839 -2.285 160 HH21 ARG 22 1HH2 ARG 22 -9.130 16.055 -2.649 161 HH22 ARG 22 2HH2 ARG 22 -9.950 14.753 -3.441 162 H SER 23 H SER 23 -5.382 10.832 0.444 163 HA SER 23 HA SER 23 -2.695 11.799 -0.253 164 HB2 SER 23 1HB SER 23 -3.446 9.351 1.266 165 HB3 SER 23 2HB SER 23 -2.136 9.205 0.094 166 HG SER 23 HG SER 23 -1.056 9.895 1.802 167 H LEU 24 H LEU 24 -2.164 11.504 -2.324 168 HA LEU 24 HA LEU 24 -3.775 10.968 -4.371 169 HB2 LEU 24 1HB LEU 24 -0.929 10.001 -4.161 170 HB3 LEU 24 2HB LEU 24 -1.836 10.153 -5.665 171 HG LEU 24 HG LEU 24 -1.065 12.429 -3.839 172 HD11 LEU 24 1HD1 LEU 24 0.633 11.086 -5.423 173 HD12 LEU 24 2HD1 LEU 24 0.747 12.821 -5.125 174 HD13 LEU 24 3HD1 LEU 24 -0.029 12.228 -6.594 175 HD21 LEU 24 3HD2 LEU 24 -1.815 13.184 -6.497 176 HD22 LEU 24 1HD2 LEU 24 -2.505 13.694 -4.956 177 HD23 LEU 24 2HD2 LEU 24 -3.113 12.245 -5.757 178 H CYS 25 H CYS 25 -1.938 8.420 -2.693 179 HA CYS 25 HA CYS 25 -3.928 6.480 -3.668 180 HB2 CYS 25 1HB CYS 25 -2.307 4.912 -4.212 181 HB3 CYS 25 2HB CYS 25 -1.532 6.415 -4.705 182 H ALA 26 H ALA 26 -3.878 4.421 -2.325 183 HA ALA 26 HA ALA 26 -3.232 4.967 0.487 184 HB1 ALA 26 3HB ALA 26 -5.431 3.868 1.089 185 HB2 ALA 26 1HB ALA 26 -5.530 5.492 0.410 186 HB3 ALA 26 2HB ALA 26 -5.896 4.091 -0.597 187 H CYS 27 H CYS 27 -2.029 3.387 1.288 188 HA CYS 27 HA CYS 27 -1.934 0.814 -0.080 189 HB2 CYS 27 1HB CYS 27 -0.223 1.892 2.170 190 HB3 CYS 27 2HB CYS 27 0.058 0.392 1.293 191 H SER 28 H SER 28 -4.326 1.175 1.215 192 HA SER 28 HA SER 28 -4.093 -0.705 3.471 193 HB2 SER 28 1HB SER 28 -5.820 0.417 4.662 194 HB3 SER 28 2HB SER 28 -4.718 1.681 4.115 195 HG SER 28 HG SER 28 -6.163 2.061 2.373 196 H ASP 29 H ASP 29 -6.108 -1.953 3.866 197 HA ASP 29 HA ASP 29 -7.043 -3.076 1.394 198 HB2 ASP 29 1HB ASP 29 -6.583 -4.210 3.742 199 HB3 ASP 29 2HB ASP 29 -8.273 -3.799 4.019 200 H ASP 30 H ASP 30 -7.823 -0.484 1.367 201 HA ASP 30 HA ASP 30 -10.742 -0.710 1.647 202 HB2 ASP 30 1HB ASP 30 -9.495 0.774 3.407 203 HB3 ASP 30 2HB ASP 30 -9.380 1.927 2.080 204 H CYS 31 H CYS 31 -8.000 0.799 0.032 205 HA CYS 31 HA CYS 31 -9.171 2.408 -1.825 206 HB2 CYS 31 1HB CYS 31 -7.226 2.234 -3.086 207 HB3 CYS 31 2HB CYS 31 -6.676 1.733 -1.490 208 H LYS 32 H LYS 32 -9.076 -1.104 -1.822 209 HA LYS 32 HA LYS 32 -9.797 -1.799 -4.342 210 HB2 LYS 32 1HB LYS 32 -10.594 -2.874 -1.669 211 HB3 LYS 32 2HB LYS 32 -11.357 -3.530 -3.110 212 HG2 LYS 32 1HG LYS 32 -9.575 -4.962 -2.732 213 HG3 LYS 32 2HG LYS 32 -8.966 -3.869 -3.978 214 HD2 LYS 32 1HD LYS 32 -7.543 -2.789 -2.524 215 HD3 LYS 32 2HD LYS 32 -8.509 -3.202 -1.105 216 HE2 LYS 32 1HE LYS 32 -6.428 -4.450 -1.102 217 HE3 LYS 32 2HE LYS 32 -7.795 -5.541 -1.318 218 HZ1 LYS 32 3HZ LYS 32 -7.241 -5.954 -3.490 219 HZ2 LYS 32 1HZ LYS 32 -5.703 -5.761 -2.812 220 HZ3 LYS 32 2HZ LYS 32 -6.406 -4.496 -3.686 221 H ASP 33 H ASP 33 -11.934 -0.468 -1.861 222 HA ASP 33 HA ASP 33 -14.208 -0.519 -3.671 223 HB2 ASP 33 1HB ASP 33 -14.427 -1.025 -1.219 224 HB3 ASP 33 2HB ASP 33 -14.050 0.664 -0.893 225 H GLN 34 H GLN 34 -12.469 1.974 -1.802 226 HA GLN 34 HA GLN 34 -13.685 4.215 -2.845 227 HB2 GLN 34 1HB GLN 34 -10.839 3.793 -1.942 228 HB3 GLN 34 2HB GLN 34 -11.480 5.374 -2.369 229 HG2 GLN 34 1HG GLN 34 -12.932 3.732 -0.358 230 HG3 GLN 34 2HG GLN 34 -11.443 4.548 0.115 231 HE21 GLN 34 1HE2 GLN 34 -14.543 4.865 0.459 232 HE22 GLN 34 2HE2 GLN 34 -14.751 6.575 0.320 233 H GLY 35 H GLY 35 -10.551 2.912 -3.969 234 HA2 GLY 35 1HA GLY 35 -10.206 2.488 -6.340 235 HA3 GLY 35 2HA GLY 35 -11.267 3.849 -6.676 236 H ASP 36 H ASP 36 -8.596 3.649 -4.360 237 HA ASP 36 HA ASP 36 -7.087 5.563 -6.000 238 HB2 ASP 36 1HB ASP 36 -7.890 5.857 -3.117 239 HB3 ASP 36 2HB ASP 36 -6.448 6.655 -3.740 240 H CYS 37 H CYS 37 -6.556 2.878 -5.965 241 HA CYS 37 HA CYS 37 -4.567 2.237 -3.991 242 HB2 CYS 37 1HB CYS 37 -5.039 0.789 -6.595 243 HB3 CYS 37 2HB CYS 37 -4.357 0.144 -5.107 244 H CYS 38 H CYS 38 -2.424 2.518 -4.092 245 HA CYS 38 HA CYS 38 -1.195 4.315 -5.758 246 HB2 CYS 38 1HB CYS 38 0.246 1.924 -4.613 247 HB3 CYS 38 2HB CYS 38 0.894 3.532 -4.923 248 H ILE 39 H ILE 39 0.186 4.158 -7.561 249 HA ILE 39 HA ILE 39 -0.622 2.860 -9.762 250 HB ILE 39 HB ILE 39 1.204 4.488 -9.793 251 HG12 ILE 39 1HG1 ILE 39 2.789 3.027 -11.330 252 HG13 ILE 39 2HG1 ILE 39 1.509 1.833 -11.134 253 HG21 ILE 39 1HG2 ILE 39 3.131 2.340 -9.001 254 HG22 ILE 39 2HG2 ILE 39 3.352 4.089 -9.013 255 HG23 ILE 39 3HG2 ILE 39 2.341 3.337 -7.779 256 HD11 ILE 39 3HD1 ILE 39 0.822 4.608 -11.974 257 HD12 ILE 39 1HD1 ILE 39 1.475 3.467 -13.148 258 HD13 ILE 39 2HD1 ILE 39 -0.022 3.094 -12.294 259 H ASN 40 H ASN 40 1.625 1.512 -7.372 260 HA ASN 40 HA ASN 40 1.140 -1.146 -8.550 261 HB2 ASN 40 1HB ASN 40 3.472 -1.656 -7.483 262 HB3 ASN 40 2HB ASN 40 3.389 -0.831 -9.037 263 HD21 ASN 40 1HD2 ASN 40 3.183 0.088 -5.611 264 HD22 ASN 40 2HD2 ASN 40 4.304 1.397 -5.722 265 H TYR 41 H TYR 41 -0.646 -0.461 -6.759 266 HA TYR 41 HA TYR 41 0.154 -1.035 -4.058 267 HB2 TYR 41 1HB TYR 41 -1.653 0.483 -4.280 268 HB3 TYR 41 2HB TYR 41 -2.515 -0.584 -5.383 269 HD1 TYR 41 HD2 TYR 41 -3.223 -2.901 -4.384 270 HD2 TYR 41 HD1 TYR 41 -2.251 0.516 -2.041 271 HE1 TYR 41 HE2 TYR 41 -4.480 -3.846 -2.492 272 HE2 TYR 41 HE1 TYR 41 -3.502 -0.422 -0.144 273 HH TYR 41 HH TYR 41 -5.704 -2.735 -0.355 274 H SER 42 H SER 42 -1.844 -2.696 -6.491 275 HA SER 42 HA SER 42 -2.132 -5.054 -4.897 276 HB2 SER 42 1HB SER 42 -3.223 -6.009 -6.861 277 HB3 SER 42 2HB SER 42 -3.817 -4.373 -6.579 278 HG SER 42 HG SER 42 -1.652 -4.819 -8.320 279 H SER 43 H SER 43 -0.067 -4.074 -7.582 280 HA SER 43 HA SER 43 1.110 -6.576 -8.093 281 HB2 SER 43 1HB SER 43 1.356 -4.802 -9.701 282 HB3 SER 43 2HB SER 43 2.153 -3.768 -8.516 283 HG SER 43 HG SER 43 3.381 -6.191 -8.838 284 H VAL 44 H VAL 44 1.888 -4.033 -5.792 285 HA VAL 44 HA VAL 44 4.301 -5.362 -4.902 286 HB VAL 44 HB VAL 44 2.866 -2.917 -3.862 287 HG11 VAL 44 1HG1 VAL 44 4.672 -4.561 -2.486 288 HG12 VAL 44 2HG1 VAL 44 5.593 -3.144 -2.994 289 HG13 VAL 44 3HG1 VAL 44 4.127 -2.947 -2.034 290 HG21 VAL 44 3HG2 VAL 44 4.197 -1.672 -5.185 291 HG22 VAL 44 1HG2 VAL 44 5.587 -2.735 -4.963 292 HG23 VAL 44 2HG2 VAL 44 4.330 -3.156 -6.126 293 H CYS 45 H CYS 45 1.097 -4.624 -3.547 294 HA CYS 45 HA CYS 45 1.578 -6.108 -1.143 295 HB2 CYS 45 1HB CYS 45 -0.949 -4.963 -2.341 296 HB3 CYS 45 2HB CYS 45 -0.881 -5.752 -0.769 297 H GLN 46 H GLN 46 -0.857 -6.607 -3.703 298 HA GLN 46 HA GLN 46 -1.215 -9.352 -2.968 299 HB2 GLN 46 1HB GLN 46 -2.250 -7.670 -5.242 300 HB3 GLN 46 2HB GLN 46 -2.617 -9.384 -5.102 301 HG2 GLN 46 1HG GLN 46 -3.380 -8.688 -2.687 302 HG3 GLN 46 2HG GLN 46 -3.538 -7.101 -3.439 303 HE21 GLN 46 1HE2 GLN 46 -4.792 -7.074 -5.500 304 HE22 GLN 46 2HE2 GLN 46 -6.198 -8.074 -5.586 305 H GLY 47 H GLY 47 0.416 -10.732 -3.335 306 HA2 GLY 47 1HA GLY 47 1.625 -10.711 -6.033 307 HA3 GLY 47 2HA GLY 47 2.541 -11.086 -4.581 308 H GLU 48 H GLU 48 2.187 -13.080 -3.517 309 HA GLU 48 HA GLU 48 0.343 -15.015 -4.491 310 HB2 GLU 48 1HB GLU 48 2.199 -14.880 -6.284 311 HB3 GLU 48 2HB GLU 48 3.209 -15.694 -5.095 312 HG2 GLU 48 1HG GLU 48 1.914 -17.632 -5.144 313 HG3 GLU 48 2HG GLU 48 0.552 -16.811 -5.905 314 H LYS 49 H LYS 49 0.830 -17.224 -3.527 315 HA LYS 49 HA LYS 49 1.987 -16.835 -0.849 316 HB2 LYS 49 1HB LYS 49 -0.123 -18.786 -1.792 317 HB3 LYS 49 2HB LYS 49 0.534 -18.730 -0.161 318 HG2 LYS 49 1HG LYS 49 -0.706 -16.290 -1.351 319 HG3 LYS 49 2HG LYS 49 -1.721 -17.569 -0.682 320 HD2 LYS 49 1HD LYS 49 0.548 -16.347 0.867 321 HD3 LYS 49 2HD LYS 49 -1.079 -15.664 0.882 322 HE2 LYS 49 1HE LYS 49 -0.436 -18.518 1.604 323 HE3 LYS 49 2HE LYS 49 -0.584 -17.213 2.779 324 HZ1 LYS 49 3HZ LYS 49 -2.847 -16.966 2.319 325 HZ2 LYS 49 1HZ LYS 49 -2.618 -18.641 2.377 326 HZ3 LYS 49 2HZ LYS 49 -2.761 -17.859 0.884 327 H SER 50 H SER 50 3.265 -18.482 0.071 328 HA SER 50 HA SER 50 3.953 -20.876 -1.269 329 HB2 SER 50 1HB SER 50 5.120 -19.450 -2.835 330 HB3 SER 50 2HB SER 50 5.911 -18.582 -1.520 331 HG SER 50 HG SER 50 7.197 -20.255 -2.566 332 H SER 51 H SER 51 4.985 -22.252 0.087 333 HA SER 51 HA SER 51 5.489 -21.287 2.786 334 HB2 SER 51 1HB SER 51 4.135 -23.317 2.495 335 HB3 SER 51 2HB SER 51 5.483 -24.105 1.674 336 HG SER 51 HG SER 51 5.435 -24.704 3.853 337 H GLY 52 H GLY 52 7.444 -21.128 3.728 338 HA2 GLY 52 1HA GLY 52 9.736 -22.472 3.464 339 HA3 GLY 52 2HA GLY 52 9.778 -21.467 2.024 340 HA PRO 53 HA PRO 53 11.871 -19.076 5.351 341 HB2 PRO 53 1HB PRO 53 13.788 -18.067 3.714 342 HB3 PRO 53 2HB PRO 53 13.926 -19.647 4.493 343 HG2 PRO 53 1HG PRO 53 13.091 -18.980 1.697 344 HG3 PRO 53 2HG PRO 53 14.164 -20.272 2.266 345 HD2 PRO 53 1HD PRO 53 11.576 -20.715 1.606 346 HD3 PRO 53 2HD PRO 53 12.408 -21.636 2.874 347 H SER 54 H SER 54 11.894 -16.842 5.699 348 HA SER 54 HA SER 54 10.656 -15.192 3.599 349 HB2 SER 54 1HB SER 54 10.009 -15.054 6.554 350 HB3 SER 54 2HB SER 54 9.303 -14.056 5.283 351 HG SER 54 HG SER 54 9.020 -16.854 5.650 352 H SER 55 H SER 55 11.165 -12.951 3.663 353 HA SER 55 HA SER 55 13.716 -12.193 3.832 354 HB2 SER 55 1HB SER 55 12.976 -9.874 4.244 355 HB3 SER 55 2HB SER 55 11.946 -10.684 3.065 356 HG SER 55 HG SER 55 11.399 -10.071 5.766 357 H GLY 56 H GLY 56 15.267 -12.053 5.316 358 HA2 GLY 56 1HA GLY 56 15.082 -10.992 7.860 359 HA3 GLY 56 2HA GLY 56 14.758 -12.710 8.042 Start of MODEL 11 1 H1 GLY 1 H GLY 1 15.903 9.575 -3.440 2 HA2 GLY 1 1HA GLY 1 13.667 9.082 -4.200 3 HA3 GLY 1 2HA GLY 1 14.166 7.738 -3.183 4 H SER 2 H SER 2 13.475 7.725 -0.954 5 HA SER 2 HA SER 2 10.941 9.182 -0.591 6 HB2 SER 2 1HB SER 2 10.360 7.305 0.988 7 HB3 SER 2 2HB SER 2 10.525 6.819 -0.698 8 HG SER 2 HG SER 2 11.607 5.436 0.859 9 H SER 3 H SER 3 13.314 10.468 0.049 10 HA SER 3 HA SER 3 13.988 10.154 2.804 11 HB2 SER 3 1HB SER 3 15.211 12.311 2.483 12 HB3 SER 3 2HB SER 3 15.625 11.087 1.285 13 HG SER 3 HG SER 3 13.550 12.866 0.701 14 H GLY 4 H GLY 4 12.004 10.256 3.917 15 HA2 GLY 4 1HA GLY 4 11.144 12.069 5.445 16 HA3 GLY 4 2HA GLY 4 10.758 12.934 3.965 17 H SER 5 H SER 5 8.580 13.035 4.070 18 HA SER 5 HA SER 5 7.116 10.503 4.417 19 HB2 SER 5 1HB SER 5 6.148 13.346 4.807 20 HB3 SER 5 2HB SER 5 5.174 11.895 5.036 21 HG SER 5 HG SER 5 6.547 11.294 6.722 22 H SER 6 H SER 6 8.264 11.003 1.947 23 HA SER 6 HA SER 6 5.915 11.654 0.290 24 HB2 SER 6 1HB SER 6 8.082 13.145 0.202 25 HB3 SER 6 2HB SER 6 8.699 11.833 -0.802 26 HG SER 6 HG SER 6 7.542 13.650 -1.874 27 H GLY 7 H GLY 7 5.242 9.453 0.391 28 HA2 GLY 7 1HA GLY 7 6.829 7.710 -1.385 29 HA3 GLY 7 2HA GLY 7 6.133 7.087 0.103 30 H TRP 8 H TRP 8 5.620 7.730 -3.196 31 HA TRP 8 HA TRP 8 2.737 7.205 -2.923 32 HB2 TRP 8 1HB TRP 8 4.326 8.506 -5.137 33 HB3 TRP 8 2HB TRP 8 2.641 8.026 -5.319 34 HD1 TRP 8 HD1 TRP 8 4.410 11.037 -4.819 35 HE1 TRP 8 HE1 TRP 8 3.086 12.776 -3.461 36 HE3 TRP 8 HE3 TRP 8 0.871 7.957 -2.788 37 HZ2 TRP 8 HZ2 TRP 8 0.839 12.834 -1.753 38 HZ3 TRP 8 HZ3 TRP 8 -0.830 8.933 -1.302 39 HH2 TRP 8 HH2 TRP 8 -0.843 11.322 -0.797 40 H THR 9 H THR 9 4.477 5.065 -2.608 41 HA THR 9 HA THR 9 3.686 3.417 -4.881 42 HB THR 9 HB THR 9 5.908 2.362 -5.053 43 HG1 THR 9 HG1 THR 9 6.788 2.851 -3.043 44 HG21 THR 9 3HG2 THR 9 5.786 5.339 -5.517 45 HG22 THR 9 1HG2 THR 9 5.436 4.053 -6.671 46 HG23 THR 9 2HG2 THR 9 7.090 4.314 -6.116 47 H CYS 10 H CYS 10 2.414 2.006 -3.844 48 HA CYS 10 HA CYS 10 2.403 1.231 -1.236 49 HB2 CYS 10 1HB CYS 10 1.645 -0.225 -3.747 50 HB3 CYS 10 2HB CYS 10 1.529 -1.039 -2.190 51 H ASN 11 H ASN 11 3.331 -0.375 0.017 52 HA ASN 11 HA ASN 11 5.572 -1.863 -1.162 53 HB2 ASN 11 1HB ASN 11 5.661 -0.255 1.398 54 HB3 ASN 11 2HB ASN 11 6.910 -1.388 0.893 55 HD21 ASN 11 1HD2 ASN 11 7.682 1.107 1.366 56 HD22 ASN 11 2HD2 ASN 11 8.019 1.951 -0.103 57 H LYS 12 H LYS 12 6.056 -3.838 -0.172 58 HA LYS 12 HA LYS 12 4.060 -5.462 0.641 59 HB2 LYS 12 1HB LYS 12 6.897 -5.571 1.681 60 HB3 LYS 12 2HB LYS 12 5.750 -6.903 1.698 61 HG2 LYS 12 1HG LYS 12 6.501 -5.568 -0.871 62 HG3 LYS 12 2HG LYS 12 7.530 -6.812 -0.157 63 HD2 LYS 12 1HD LYS 12 5.832 -8.446 -0.317 64 HD3 LYS 12 2HD LYS 12 4.591 -7.234 -0.642 65 HE2 LYS 12 1HE LYS 12 5.142 -8.386 -2.688 66 HE3 LYS 12 2HE LYS 12 5.709 -6.719 -2.786 67 HZ1 LYS 12 3HZ LYS 12 7.348 -8.305 -3.621 68 HZ2 LYS 12 1HZ LYS 12 7.405 -9.062 -2.111 69 HZ3 LYS 12 2HZ LYS 12 7.935 -7.464 -2.275 70 H PHE 13 H PHE 13 6.028 -3.425 2.767 71 HA PHE 13 HA PHE 13 4.835 -4.301 5.185 72 HB2 PHE 13 1HB PHE 13 6.456 -1.878 4.434 73 HB3 PHE 13 2HB PHE 13 5.800 -2.079 6.055 74 HD1 PHE 13 HD2 PHE 13 6.422 -4.210 7.321 75 HD2 PHE 13 HD1 PHE 13 8.475 -2.861 3.844 76 HE1 PHE 13 HE2 PHE 13 8.363 -5.592 7.934 77 HE2 PHE 13 HE1 PHE 13 10.418 -4.242 4.452 78 HZ PHE 13 HZ PHE 13 10.365 -5.608 6.499 79 H ARG 14 H ARG 14 4.431 -1.256 3.370 80 HA ARG 14 HA ARG 14 2.454 -0.070 4.827 81 HB2 ARG 14 1HB ARG 14 2.832 -0.143 1.835 82 HB3 ARG 14 2HB ARG 14 1.645 0.889 2.620 83 HG2 ARG 14 1HG ARG 14 3.608 1.802 3.981 84 HG3 ARG 14 2HG ARG 14 4.633 1.017 2.779 85 HD2 ARG 14 1HD ARG 14 4.332 3.283 2.102 86 HD3 ARG 14 2HD ARG 14 3.383 2.270 1.015 87 HE ARG 14 HE ARG 14 1.938 3.353 3.275 88 HH11 ARG 14 1HH1 ARG 14 2.865 3.751 -0.057 89 HH12 ARG 14 2HH1 ARG 14 1.558 4.827 -0.428 90 HH21 ARG 14 1HH2 ARG 14 0.214 4.768 2.800 91 HH22 ARG 14 2HH2 ARG 14 0.051 5.405 1.198 92 H CYS 15 H CYS 15 2.007 -2.500 2.274 93 HA CYS 15 HA CYS 15 -0.623 -2.684 1.908 94 HB2 CYS 15 1HB CYS 15 1.113 -5.062 2.610 95 HB3 CYS 15 2HB CYS 15 -0.418 -5.127 1.743 96 H GLY 16 H GLY 16 -2.131 -2.168 3.388 97 HA2 GLY 16 1HA GLY 16 -3.668 -2.957 5.018 98 HA3 GLY 16 2HA GLY 16 -2.394 -3.961 5.695 99 H GLU 17 H GLU 17 -2.730 -0.476 5.007 100 HA GLU 17 HA GLU 17 -1.986 0.031 7.814 101 HB2 GLU 17 1HB GLU 17 -0.908 2.123 7.022 102 HB3 GLU 17 2HB GLU 17 -0.143 0.670 6.394 103 HG2 GLU 17 1HG GLU 17 -1.215 0.967 4.262 104 HG3 GLU 17 2HG GLU 17 -2.134 2.340 4.878 105 H LYS 18 H LYS 18 -2.901 1.888 8.810 106 HA LYS 18 HA LYS 18 -5.203 3.070 7.423 107 HB2 LYS 18 1HB LYS 18 -6.591 2.823 9.412 108 HB3 LYS 18 2HB LYS 18 -6.040 1.251 8.849 109 HG2 LYS 18 1HG LYS 18 -4.464 2.653 10.947 110 HG3 LYS 18 2HG LYS 18 -5.985 1.877 11.392 111 HD2 LYS 18 1HD LYS 18 -5.157 -0.226 10.378 112 HD3 LYS 18 2HD LYS 18 -3.612 0.568 10.064 113 HE2 LYS 18 1HE LYS 18 -3.283 -0.608 12.066 114 HE3 LYS 18 2HE LYS 18 -3.555 1.061 12.567 115 HZ1 LYS 18 3HZ LYS 18 -5.059 -1.271 13.193 116 HZ2 LYS 18 1HZ LYS 18 -6.048 -0.085 12.502 117 HZ3 LYS 18 2HZ LYS 18 -5.138 0.271 13.883 118 H ARG 19 H ARG 19 -2.686 4.243 7.758 119 HA ARG 19 HA ARG 19 -3.231 6.298 9.800 120 HB2 ARG 19 1HB ARG 19 -1.162 4.925 10.148 121 HB3 ARG 19 2HB ARG 19 -0.541 5.569 8.633 122 HG2 ARG 19 1HG ARG 19 0.448 7.008 10.081 123 HG3 ARG 19 2HG ARG 19 -1.067 7.874 9.817 124 HD2 ARG 19 1HD ARG 19 -0.539 7.793 12.185 125 HD3 ARG 19 2HD ARG 19 -1.991 6.852 11.845 126 HE ARG 19 HE ARG 19 -0.860 4.928 12.429 127 HH11 ARG 19 1HH1 ARG 19 1.352 7.609 12.235 128 HH12 ARG 19 2HH1 ARG 19 2.659 6.754 12.984 129 HH21 ARG 19 1HH2 ARG 19 0.853 3.791 13.416 130 HH22 ARG 19 2HH2 ARG 19 2.375 4.583 13.654 131 H LEU 20 H LEU 20 -4.519 6.563 7.417 132 HA LEU 20 HA LEU 20 -3.428 9.047 6.450 133 HB2 LEU 20 1HB LEU 20 -3.164 8.471 4.181 134 HB3 LEU 20 2HB LEU 20 -2.289 7.254 5.107 135 HG LEU 20 HG LEU 20 -5.075 6.759 4.102 136 HD11 LEU 20 1HD1 LEU 20 -3.319 7.438 2.301 137 HD12 LEU 20 2HD1 LEU 20 -4.335 6.018 2.053 138 HD13 LEU 20 3HD1 LEU 20 -2.670 5.826 2.602 139 HD21 LEU 20 3HD2 LEU 20 -2.985 4.674 4.373 140 HD22 LEU 20 1HD2 LEU 20 -4.720 4.591 4.682 141 HD23 LEU 20 2HD2 LEU 20 -3.652 5.355 5.858 142 H THR 21 H THR 21 -4.986 10.387 5.661 143 HA THR 21 HA THR 21 -7.723 9.302 5.600 144 HB THR 21 HB THR 21 -6.943 12.189 6.027 145 HG1 THR 21 HG1 THR 21 -7.791 11.395 8.272 146 HG21 THR 21 3HG2 THR 21 -9.504 11.005 6.960 147 HG22 THR 21 1HG2 THR 21 -9.321 11.301 5.231 148 HG23 THR 21 2HG2 THR 21 -9.157 12.632 6.376 149 H ARG 22 H ARG 22 -5.882 12.012 4.177 150 HA ARG 22 HA ARG 22 -7.226 11.446 1.617 151 HB2 ARG 22 1HB ARG 22 -6.664 14.111 2.914 152 HB3 ARG 22 2HB ARG 22 -7.022 13.950 1.200 153 HG2 ARG 22 1HG ARG 22 -8.865 12.884 3.312 154 HG3 ARG 22 2HG ARG 22 -8.944 14.554 2.749 155 HD2 ARG 22 1HD ARG 22 -9.184 12.105 1.004 156 HD3 ARG 22 2HD ARG 22 -10.532 13.089 1.572 157 HE ARG 22 HE ARG 22 -8.862 14.844 0.295 158 HH11 ARG 22 1HH1 ARG 22 -10.526 11.911 -0.572 159 HH12 ARG 22 2HH1 ARG 22 -10.704 12.350 -2.239 160 HH21 ARG 22 1HH2 ARG 22 -9.091 15.434 -1.897 161 HH22 ARG 22 2HH2 ARG 22 -9.888 14.354 -2.991 162 H SER 23 H SER 23 -5.637 10.461 0.499 163 HA SER 23 HA SER 23 -3.228 12.021 -0.053 164 HB2 SER 23 1HB SER 23 -3.249 9.187 0.987 165 HB3 SER 23 2HB SER 23 -1.871 9.870 0.124 166 HG SER 23 HG SER 23 -1.472 10.261 2.239 167 H LEU 24 H LEU 24 -2.254 11.561 -2.053 168 HA LEU 24 HA LEU 24 -3.728 11.211 -4.244 169 HB2 LEU 24 1HB LEU 24 -0.980 10.034 -3.858 170 HB3 LEU 24 2HB LEU 24 -1.750 10.331 -5.415 171 HG LEU 24 HG LEU 24 -0.902 12.419 -3.409 172 HD11 LEU 24 1HD1 LEU 24 0.763 11.105 -4.979 173 HD12 LEU 24 2HD1 LEU 24 0.922 12.841 -4.712 174 HD13 LEU 24 3HD1 LEU 24 0.151 12.241 -6.181 175 HD21 LEU 24 3HD2 LEU 24 -2.673 12.510 -5.758 176 HD22 LEU 24 1HD2 LEU 24 -1.433 13.763 -5.689 177 HD23 LEU 24 2HD2 LEU 24 -2.578 13.583 -4.360 178 H CYS 25 H CYS 25 -2.135 8.475 -2.604 179 HA CYS 25 HA CYS 25 -4.228 6.722 -3.703 180 HB2 CYS 25 1HB CYS 25 -2.704 5.076 -4.330 181 HB3 CYS 25 2HB CYS 25 -1.869 6.558 -4.784 182 H ALA 26 H ALA 26 -4.111 4.504 -2.500 183 HA ALA 26 HA ALA 26 -3.358 4.745 0.294 184 HB1 ALA 26 3HB ALA 26 -6.223 4.513 -0.593 185 HB2 ALA 26 1HB ALA 26 -5.679 4.076 1.026 186 HB3 ALA 26 2HB ALA 26 -5.502 5.736 0.453 187 H CYS 27 H CYS 27 -2.429 2.890 0.825 188 HA CYS 27 HA CYS 27 -2.973 0.495 -0.734 189 HB2 CYS 27 1HB CYS 27 -0.974 0.874 1.503 190 HB3 CYS 27 2HB CYS 27 -1.017 -0.440 0.331 191 H SER 28 H SER 28 -5.119 1.306 0.868 192 HA SER 28 HA SER 28 -5.138 -0.763 2.967 193 HB2 SER 28 1HB SER 28 -6.951 0.597 4.032 194 HB3 SER 28 2HB SER 28 -5.395 1.424 3.962 195 HG SER 28 HG SER 28 -7.766 1.963 2.609 196 H ASP 29 H ASP 29 -6.878 -2.153 3.104 197 HA ASP 29 HA ASP 29 -8.045 -3.164 0.892 198 HB2 ASP 29 1HB ASP 29 -9.822 -4.088 2.332 199 HB3 ASP 29 2HB ASP 29 -8.233 -4.233 3.077 200 H ASP 30 H ASP 30 -9.322 -0.497 2.835 201 HA ASP 30 HA ASP 30 -11.785 -0.141 1.650 202 HB2 ASP 30 1HB ASP 30 -9.837 1.692 2.969 203 HB3 ASP 30 2HB ASP 30 -11.194 2.410 2.105 204 H CYS 31 H CYS 31 -8.630 1.023 0.551 205 HA CYS 31 HA CYS 31 -9.314 2.690 -1.501 206 HB2 CYS 31 1HB CYS 31 -7.175 2.376 -2.352 207 HB3 CYS 31 2HB CYS 31 -6.981 1.857 -0.680 208 H LYS 32 H LYS 32 -9.474 -0.816 -1.449 209 HA LYS 32 HA LYS 32 -9.824 -1.343 -4.154 210 HB2 LYS 32 1HB LYS 32 -10.948 -2.715 -1.714 211 HB3 LYS 32 2HB LYS 32 -11.158 -3.345 -3.342 212 HG2 LYS 32 1HG LYS 32 -8.469 -2.795 -2.117 213 HG3 LYS 32 2HG LYS 32 -9.283 -4.358 -2.029 214 HD2 LYS 32 1HD LYS 32 -8.984 -3.083 -4.699 215 HD3 LYS 32 2HD LYS 32 -7.548 -3.787 -3.950 216 HE2 LYS 32 1HE LYS 32 -8.346 -5.606 -5.089 217 HE3 LYS 32 2HE LYS 32 -9.166 -5.822 -3.544 218 HZ1 LYS 32 3HZ LYS 32 -10.720 -4.167 -5.213 219 HZ2 LYS 32 1HZ LYS 32 -11.109 -5.681 -4.565 220 HZ3 LYS 32 2HZ LYS 32 -10.319 -5.578 -6.058 221 H ASP 33 H ASP 33 -12.205 -0.402 -1.713 222 HA ASP 33 HA ASP 33 -14.405 -0.525 -3.563 223 HB2 ASP 33 1HB ASP 33 -14.266 0.734 -0.814 224 HB3 ASP 33 2HB ASP 33 -15.734 0.390 -1.724 225 H GLN 34 H GLN 34 -12.744 2.125 -1.849 226 HA GLN 34 HA GLN 34 -14.083 4.237 -3.080 227 HB2 GLN 34 1HB GLN 34 -11.320 4.035 -1.896 228 HB3 GLN 34 2HB GLN 34 -11.965 5.548 -2.521 229 HG2 GLN 34 1HG GLN 34 -13.958 5.039 -0.930 230 HG3 GLN 34 2HG GLN 34 -12.801 3.977 -0.129 231 HE21 GLN 34 1HE2 GLN 34 -13.964 6.188 1.102 232 HE22 GLN 34 2HE2 GLN 34 -12.732 7.355 1.422 233 H GLY 35 H GLY 35 -10.824 3.010 -3.885 234 HA2 GLY 35 1HA GLY 35 -10.306 2.484 -6.211 235 HA3 GLY 35 2HA GLY 35 -11.340 3.826 -6.676 236 H ASP 36 H ASP 36 -8.698 3.521 -4.308 237 HA ASP 36 HA ASP 36 -7.296 5.675 -5.747 238 HB2 ASP 36 1HB ASP 36 -7.915 5.404 -2.833 239 HB3 ASP 36 2HB ASP 36 -6.424 6.207 -3.318 240 H CYS 37 H CYS 37 -7.204 2.536 -4.607 241 HA CYS 37 HA CYS 37 -4.832 1.911 -3.567 242 HB2 CYS 37 1HB CYS 37 -5.812 0.534 -6.072 243 HB3 CYS 37 2HB CYS 37 -4.845 -0.165 -4.778 244 H CYS 38 H CYS 38 -2.810 2.528 -3.890 245 HA CYS 38 HA CYS 38 -1.826 4.128 -5.854 246 HB2 CYS 38 1HB CYS 38 -0.123 1.924 -4.710 247 HB3 CYS 38 2HB CYS 38 0.350 3.565 -5.138 248 H ILE 39 H ILE 39 -0.492 3.786 -7.717 249 HA ILE 39 HA ILE 39 -1.552 2.062 -9.612 250 HB ILE 39 HB ILE 39 -0.231 4.022 -10.224 251 HG12 ILE 39 1HG1 ILE 39 1.225 1.612 -11.295 252 HG13 ILE 39 2HG1 ILE 39 -0.455 1.934 -11.714 253 HG21 ILE 39 1HG2 ILE 39 2.312 3.739 -10.149 254 HG22 ILE 39 2HG2 ILE 39 1.487 4.130 -8.641 255 HG23 ILE 39 3HG2 ILE 39 2.006 2.475 -8.957 256 HD11 ILE 39 3HD1 ILE 39 2.012 3.395 -12.489 257 HD12 ILE 39 1HD1 ILE 39 0.621 2.919 -13.465 258 HD13 ILE 39 2HD1 ILE 39 0.497 4.289 -12.361 259 H ASN 40 H ASN 40 1.048 1.555 -7.323 260 HA ASN 40 HA ASN 40 1.468 -1.144 -8.421 261 HB2 ASN 40 1HB ASN 40 3.624 -1.126 -7.231 262 HB3 ASN 40 2HB ASN 40 3.498 0.223 -8.358 263 HD21 ASN 40 1HD2 ASN 40 4.837 -0.429 -5.619 264 HD22 ASN 40 2HD2 ASN 40 4.592 1.031 -4.729 265 H TYR 41 H TYR 41 -0.795 -0.612 -6.840 266 HA TYR 41 HA TYR 41 -0.379 -1.263 -4.110 267 HB2 TYR 41 1HB TYR 41 -2.400 -0.146 -4.632 268 HB3 TYR 41 2HB TYR 41 -2.807 -1.304 -5.893 269 HD1 TYR 41 HD1 TYR 41 -2.277 -1.090 -2.207 270 HD2 TYR 41 HD2 TYR 41 -4.277 -3.038 -5.418 271 HE1 TYR 41 HE1 TYR 41 -3.616 -2.371 -0.588 272 HE2 TYR 41 HE2 TYR 41 -5.623 -4.323 -3.808 273 HH TYR 41 HH TYR 41 -4.956 -4.914 -0.913 274 H SER 42 H SER 42 -1.782 -3.202 -6.757 275 HA SER 42 HA SER 42 -1.667 -5.628 -5.265 276 HB2 SER 42 1HB SER 42 -2.209 -6.686 -7.492 277 HB3 SER 42 2HB SER 42 -3.341 -5.439 -6.972 278 HG SER 42 HG SER 42 -2.515 -4.056 -8.450 279 H SER 43 H SER 43 0.274 -4.277 -7.911 280 HA SER 43 HA SER 43 1.979 -6.341 -8.452 281 HB2 SER 43 1HB SER 43 1.890 -3.858 -9.340 282 HB3 SER 43 2HB SER 43 3.162 -3.608 -8.145 283 HG SER 43 HG SER 43 4.487 -4.883 -9.256 284 H VAL 44 H VAL 44 2.055 -4.173 -5.684 285 HA VAL 44 HA VAL 44 4.464 -5.469 -4.655 286 HB VAL 44 HB VAL 44 2.884 -3.124 -3.587 287 HG11 VAL 44 1HG1 VAL 44 4.119 -3.126 -1.721 288 HG12 VAL 44 2HG1 VAL 44 4.476 -4.807 -2.123 289 HG13 VAL 44 3HG1 VAL 44 5.599 -3.529 -2.590 290 HG21 VAL 44 3HG2 VAL 44 3.958 -2.149 -5.326 291 HG22 VAL 44 1HG2 VAL 44 5.304 -2.135 -4.187 292 HG23 VAL 44 2HG2 VAL 44 5.195 -3.403 -5.407 293 H CYS 45 H CYS 45 1.151 -4.740 -3.557 294 HA CYS 45 HA CYS 45 1.326 -6.383 -1.242 295 HB2 CYS 45 1HB CYS 45 -1.073 -5.270 -2.710 296 HB3 CYS 45 2HB CYS 45 -1.150 -6.080 -1.148 297 H GLN 46 H GLN 46 -0.599 -6.804 -4.219 298 HA GLN 46 HA GLN 46 -0.873 -9.640 -3.644 299 HB2 GLN 46 1HB GLN 46 -2.137 -7.729 -5.560 300 HB3 GLN 46 2HB GLN 46 -2.166 -9.446 -5.940 301 HG2 GLN 46 1HG GLN 46 -3.083 -8.458 -3.272 302 HG3 GLN 46 2HG GLN 46 -4.150 -8.404 -4.674 303 HE21 GLN 46 1HE2 GLN 46 -4.741 -9.889 -2.417 304 HE22 GLN 46 2HE2 GLN 46 -4.686 -11.569 -2.817 305 H GLY 47 H GLY 47 1.372 -10.186 -3.919 306 HA2 GLY 47 1HA GLY 47 2.252 -10.178 -6.737 307 HA3 GLY 47 2HA GLY 47 3.339 -10.214 -5.357 308 H GLU 48 H GLU 48 4.347 -12.106 -5.295 309 HA GLU 48 HA GLU 48 2.926 -14.518 -6.147 310 HB2 GLU 48 1HB GLU 48 5.162 -14.019 -7.113 311 HB3 GLU 48 2HB GLU 48 5.857 -14.154 -5.504 312 HG2 GLU 48 1HG GLU 48 6.278 -16.209 -6.528 313 HG3 GLU 48 2HG GLU 48 4.914 -16.505 -5.452 314 H LYS 49 H LYS 49 3.057 -16.464 -4.876 315 HA LYS 49 HA LYS 49 2.840 -15.894 -2.026 316 HB2 LYS 49 1HB LYS 49 1.955 -18.248 -1.924 317 HB3 LYS 49 2HB LYS 49 1.012 -17.142 -2.913 318 HG2 LYS 49 1HG LYS 49 3.108 -18.728 -4.276 319 HG3 LYS 49 2HG LYS 49 1.666 -19.583 -3.722 320 HD2 LYS 49 1HD LYS 49 1.283 -17.030 -5.194 321 HD3 LYS 49 2HD LYS 49 1.800 -18.443 -6.118 322 HE2 LYS 49 1HE LYS 49 -0.562 -18.471 -4.253 323 HE3 LYS 49 2HE LYS 49 -0.694 -18.066 -5.963 324 HZ1 LYS 49 3HZ LYS 49 0.270 -20.250 -6.480 325 HZ2 LYS 49 1HZ LYS 49 -1.189 -20.380 -5.633 326 HZ3 LYS 49 2HZ LYS 49 0.279 -20.634 -4.833 327 H SER 50 H SER 50 3.677 -17.648 -0.518 328 HA SER 50 HA SER 50 6.342 -17.689 -0.297 329 HB2 SER 50 1HB SER 50 4.263 -19.663 0.517 330 HB3 SER 50 2HB SER 50 5.952 -20.145 0.676 331 HG SER 50 HG SER 50 6.096 -18.900 2.351 332 H SER 51 H SER 51 8.090 -18.637 -1.187 333 HA SER 51 HA SER 51 7.969 -19.728 -3.755 334 HB2 SER 51 1HB SER 51 10.204 -20.036 -1.736 335 HB3 SER 51 2HB SER 51 10.343 -20.230 -3.483 336 HG SER 51 HG SER 51 9.244 -17.837 -2.746 337 H GLY 52 H GLY 52 8.886 -21.424 -0.746 338 HA2 GLY 52 1HA GLY 52 7.259 -23.607 -0.904 339 HA3 GLY 52 2HA GLY 52 8.580 -23.998 -1.993 340 HA PRO 53 HA PRO 53 11.086 -25.371 1.323 341 HB2 PRO 53 1HB PRO 53 13.537 -24.356 0.743 342 HB3 PRO 53 2HB PRO 53 12.798 -25.671 -0.179 343 HG2 PRO 53 1HG PRO 53 12.926 -22.749 -0.817 344 HG3 PRO 53 2HG PRO 53 13.176 -24.140 -1.888 345 HD2 PRO 53 1HD PRO 53 10.852 -22.754 -1.822 346 HD3 PRO 53 2HD PRO 53 10.915 -24.494 -2.165 347 H SER 54 H SER 54 10.214 -22.205 1.101 348 HA SER 54 HA SER 54 11.680 -21.463 3.547 349 HB2 SER 54 1HB SER 54 12.208 -20.005 1.640 350 HB3 SER 54 2HB SER 54 10.494 -19.646 1.434 351 HG SER 54 HG SER 54 11.302 -17.998 2.636 352 H SER 55 H SER 55 10.521 -21.290 5.341 353 HA SER 55 HA SER 55 7.721 -20.466 5.192 354 HB2 SER 55 1HB SER 55 6.909 -22.301 6.493 355 HB3 SER 55 2HB SER 55 7.854 -22.998 5.177 356 HG SER 55 HG SER 55 9.624 -23.103 6.700 357 H GLY 56 H GLY 56 7.069 -19.231 6.884 358 HA2 GLY 56 1HA GLY 56 7.117 -18.224 8.974 359 HA3 GLY 56 2HA GLY 56 8.493 -19.235 9.395 Start of MODEL 12 1 H1 GLY 1 H GLY 1 15.475 13.337 -12.870 2 HA2 GLY 1 1HA GLY 1 12.639 13.844 -13.287 3 HA3 GLY 1 2HA GLY 1 13.580 12.535 -13.988 4 H SER 2 H SER 2 14.670 11.411 -11.691 5 HA SER 2 HA SER 2 12.327 10.045 -10.655 6 HB2 SER 2 1HB SER 2 15.271 9.509 -10.180 7 HB3 SER 2 2HB SER 2 13.940 8.460 -9.692 8 HG SER 2 HG SER 2 15.054 7.970 -11.753 9 H SER 3 H SER 3 11.447 11.680 -9.327 10 HA SER 3 HA SER 3 12.920 12.068 -6.806 11 HB2 SER 3 1HB SER 3 11.531 14.065 -8.530 12 HB3 SER 3 2HB SER 3 11.426 14.273 -6.782 13 HG SER 3 HG SER 3 13.468 14.802 -6.719 14 H GLY 4 H GLY 4 11.916 10.843 -5.344 15 HA2 GLY 4 1HA GLY 4 9.431 11.363 -4.298 16 HA3 GLY 4 2HA GLY 4 9.147 10.148 -5.534 17 H SER 5 H SER 5 9.915 10.664 -2.322 18 HA SER 5 HA SER 5 11.336 8.149 -1.967 19 HB2 SER 5 1HB SER 5 12.193 9.869 -0.588 20 HB3 SER 5 2HB SER 5 10.581 10.396 -0.104 21 HG SER 5 HG SER 5 11.293 7.773 0.494 22 H SER 6 H SER 6 9.749 6.645 -2.548 23 HA SER 6 HA SER 6 7.899 5.322 -2.321 24 HB2 SER 6 1HB SER 6 8.495 5.878 0.596 25 HB3 SER 6 2HB SER 6 7.470 4.572 0.002 26 HG SER 6 HG SER 6 10.118 4.847 -0.915 27 H GLY 7 H GLY 7 7.167 7.899 -2.942 28 HA2 GLY 7 1HA GLY 7 5.149 8.845 -1.112 29 HA3 GLY 7 2HA GLY 7 5.500 9.493 -2.708 30 H TRP 8 H TRP 8 4.942 7.776 -4.510 31 HA TRP 8 HA TRP 8 2.155 7.007 -4.006 32 HB2 TRP 8 1HB TRP 8 3.667 7.613 -6.546 33 HB3 TRP 8 2HB TRP 8 2.059 6.894 -6.548 34 HD1 TRP 8 HD1 TRP 8 3.854 10.191 -6.094 35 HE1 TRP 8 HE1 TRP 8 2.119 12.076 -5.846 36 HE3 TRP 8 HE3 TRP 8 -0.368 7.349 -5.610 37 HZ2 TRP 8 HZ2 TRP 8 -0.670 12.325 -5.491 38 HZ3 TRP 8 HZ3 TRP 8 -2.529 8.487 -5.319 39 HH2 TRP 8 HH2 TRP 8 -2.675 10.924 -5.261 40 H THR 9 H THR 9 4.063 5.302 -2.958 41 HA THR 9 HA THR 9 3.603 2.909 -4.588 42 HB THR 9 HB THR 9 5.862 2.072 -4.160 43 HG1 THR 9 HG1 THR 9 7.183 3.087 -2.840 44 HG21 THR 9 3HG2 THR 9 5.526 4.683 -5.583 45 HG22 THR 9 1HG2 THR 9 5.776 3.071 -6.252 46 HG23 THR 9 2HG2 THR 9 7.115 3.927 -5.489 47 H CYS 10 H CYS 10 2.796 1.282 -3.430 48 HA CYS 10 HA CYS 10 2.578 1.570 -0.554 49 HB2 CYS 10 1HB CYS 10 1.321 -0.175 -2.627 50 HB3 CYS 10 2HB CYS 10 1.322 -0.728 -0.955 51 H ASN 11 H ASN 11 2.985 -0.317 0.867 52 HA ASN 11 HA ASN 11 5.322 -1.866 -0.039 53 HB2 ASN 11 1HB ASN 11 5.756 0.039 1.637 54 HB3 ASN 11 2HB ASN 11 4.931 -0.981 2.813 55 HD21 ASN 11 1HD2 ASN 11 5.920 -2.821 3.564 56 HD22 ASN 11 2HD2 ASN 11 7.583 -3.181 3.264 57 H LYS 12 H LYS 12 5.488 -3.989 0.661 58 HA LYS 12 HA LYS 12 3.322 -5.583 0.807 59 HB2 LYS 12 1HB LYS 12 5.889 -6.133 0.871 60 HB3 LYS 12 2HB LYS 12 5.619 -6.263 2.604 61 HG2 LYS 12 1HG LYS 12 5.355 -8.438 1.881 62 HG3 LYS 12 2HG LYS 12 3.691 -7.852 1.950 63 HD2 LYS 12 1HD LYS 12 3.733 -7.423 -0.452 64 HD3 LYS 12 2HD LYS 12 5.410 -7.968 -0.529 65 HE2 LYS 12 1HE LYS 12 4.156 -9.817 -1.232 66 HE3 LYS 12 2HE LYS 12 4.554 -10.167 0.449 67 HZ1 LYS 12 3HZ LYS 12 2.262 -9.000 0.849 68 HZ2 LYS 12 1HZ LYS 12 2.338 -10.638 0.431 69 HZ3 LYS 12 2HZ LYS 12 1.968 -9.481 -0.745 70 H PHE 13 H PHE 13 5.027 -4.378 3.701 71 HA PHE 13 HA PHE 13 3.259 -5.398 5.598 72 HB2 PHE 13 1HB PHE 13 5.178 -3.091 5.592 73 HB3 PHE 13 2HB PHE 13 4.121 -3.353 6.976 74 HD1 PHE 13 HD2 PHE 13 4.062 -6.065 7.557 75 HD2 PHE 13 HD1 PHE 13 7.306 -3.842 5.930 76 HE1 PHE 13 HE2 PHE 13 5.642 -7.727 8.448 77 HE2 PHE 13 HE1 PHE 13 8.892 -5.501 6.819 78 HZ PHE 13 HZ PHE 13 8.061 -7.445 8.080 79 H ARG 14 H ARG 14 3.327 -2.152 4.135 80 HA ARG 14 HA ARG 14 1.244 -0.942 5.397 81 HB2 ARG 14 1HB ARG 14 2.124 -0.826 2.525 82 HB3 ARG 14 2HB ARG 14 0.775 0.144 3.100 83 HG2 ARG 14 1HG ARG 14 2.393 0.994 4.892 84 HG3 ARG 14 2HG ARG 14 3.661 0.300 3.880 85 HD2 ARG 14 1HD ARG 14 3.574 2.472 3.106 86 HD3 ARG 14 2HD ARG 14 2.505 1.641 1.976 87 HE ARG 14 HE ARG 14 0.711 2.786 2.860 88 HH11 ARG 14 1HH1 ARG 14 3.535 3.283 4.835 89 HH12 ARG 14 2HH1 ARG 14 2.819 4.556 5.767 90 HH21 ARG 14 1HH2 ARG 14 -0.242 4.461 4.080 91 HH22 ARG 14 2HH2 ARG 14 0.671 5.224 5.339 92 H CYS 15 H CYS 15 1.006 -3.189 2.661 93 HA CYS 15 HA CYS 15 -1.589 -3.134 1.972 94 HB2 CYS 15 1HB CYS 15 -0.178 -5.732 2.601 95 HB3 CYS 15 2HB CYS 15 -1.467 -5.475 1.430 96 H GLY 16 H GLY 16 -3.405 -3.004 3.105 97 HA2 GLY 16 1HA GLY 16 -5.075 -3.753 4.547 98 HA3 GLY 16 2HA GLY 16 -3.942 -4.918 5.215 99 H GLU 17 H GLU 17 -3.457 -1.433 4.933 100 HA GLU 17 HA GLU 17 -2.954 -1.319 7.800 101 HB2 GLU 17 1HB GLU 17 -2.077 0.933 7.339 102 HB3 GLU 17 2HB GLU 17 -1.314 -0.285 6.327 103 HG2 GLU 17 1HG GLU 17 -1.695 1.299 4.757 104 HG3 GLU 17 2HG GLU 17 -3.225 0.431 4.649 105 H LYS 18 H LYS 18 -3.794 0.553 9.039 106 HA LYS 18 HA LYS 18 -6.621 0.662 8.874 107 HB2 LYS 18 1HB LYS 18 -6.515 2.114 10.788 108 HB3 LYS 18 2HB LYS 18 -5.312 0.848 10.988 109 HG2 LYS 18 1HG LYS 18 -3.732 2.638 9.881 110 HG3 LYS 18 2HG LYS 18 -4.948 3.756 10.505 111 HD2 LYS 18 1HD LYS 18 -4.461 3.277 12.693 112 HD3 LYS 18 2HD LYS 18 -3.905 1.643 12.325 113 HE2 LYS 18 1HE LYS 18 -1.864 2.537 11.353 114 HE3 LYS 18 2HE LYS 18 -2.426 4.182 11.641 115 HZ1 LYS 18 3HZ LYS 18 -1.667 2.148 13.656 116 HZ2 LYS 18 1HZ LYS 18 -2.502 3.564 14.057 117 HZ3 LYS 18 2HZ LYS 18 -0.954 3.657 13.383 118 H ARG 19 H ARG 19 -7.807 2.818 8.943 119 HA ARG 19 HA ARG 19 -7.925 4.052 6.572 120 HB2 ARG 19 1HB ARG 19 -8.346 5.219 9.313 121 HB3 ARG 19 2HB ARG 19 -8.655 6.158 7.858 122 HG2 ARG 19 1HG ARG 19 -10.164 4.220 7.149 123 HG3 ARG 19 2HG ARG 19 -10.056 3.697 8.831 124 HD2 ARG 19 1HD ARG 19 -12.040 5.047 8.512 125 HD3 ARG 19 2HD ARG 19 -10.893 5.896 9.548 126 HE ARG 19 HE ARG 19 -10.287 6.904 7.153 127 HH11 ARG 19 1HH1 ARG 19 -13.355 6.406 8.720 128 HH12 ARG 19 2HH1 ARG 19 -14.121 7.748 7.937 129 HH21 ARG 19 1HH2 ARG 19 -11.285 8.674 6.114 130 HH22 ARG 19 2HH2 ARG 19 -12.943 9.037 6.454 131 H LEU 20 H LEU 20 -6.408 4.909 5.324 132 HA LEU 20 HA LEU 20 -3.871 5.671 6.006 133 HB2 LEU 20 1HB LEU 20 -3.659 6.563 3.891 134 HB3 LEU 20 2HB LEU 20 -5.000 5.436 3.698 135 HG LEU 20 HG LEU 20 -5.479 8.355 4.210 136 HD11 LEU 20 1HD1 LEU 20 -3.958 7.803 2.168 137 HD12 LEU 20 2HD1 LEU 20 -5.321 8.906 1.981 138 HD13 LEU 20 3HD1 LEU 20 -5.462 7.231 1.445 139 HD21 LEU 20 3HD2 LEU 20 -7.187 6.283 4.219 140 HD22 LEU 20 1HD2 LEU 20 -7.221 6.693 2.503 141 HD23 LEU 20 2HD2 LEU 20 -7.636 7.912 3.709 142 H THR 21 H THR 21 -3.009 8.020 5.642 143 HA THR 21 HA THR 21 -4.705 10.047 6.861 144 HB THR 21 HB THR 21 -2.029 9.373 8.095 145 HG1 THR 21 HG1 THR 21 -3.465 8.713 9.893 146 HG21 THR 21 3HG2 THR 21 -3.827 10.877 9.746 147 HG22 THR 21 1HG2 THR 21 -3.633 11.688 8.193 148 HG23 THR 21 2HG2 THR 21 -2.216 11.313 9.174 149 H ARG 22 H ARG 22 -4.522 11.684 5.481 150 HA ARG 22 HA ARG 22 -3.643 13.021 3.826 151 HB2 ARG 22 1HB ARG 22 -1.649 13.246 6.082 152 HB3 ARG 22 2HB ARG 22 -1.653 14.315 4.685 153 HG2 ARG 22 1HG ARG 22 -4.027 13.969 6.496 154 HG3 ARG 22 2HG ARG 22 -2.785 15.199 6.743 155 HD2 ARG 22 1HD ARG 22 -4.137 14.957 4.089 156 HD3 ARG 22 2HD ARG 22 -4.957 15.776 5.417 157 HE ARG 22 HE ARG 22 -2.458 16.899 5.313 158 HH11 ARG 22 1HH1 ARG 22 -5.119 16.514 3.102 159 HH12 ARG 22 2HH1 ARG 22 -4.772 17.968 2.226 160 HH21 ARG 22 1HH2 ARG 22 -1.990 18.816 4.168 161 HH22 ARG 22 2HH2 ARG 22 -2.992 19.276 2.833 162 H SER 23 H SER 23 -3.054 10.399 3.209 163 HA SER 23 HA SER 23 -0.272 10.535 2.248 164 HB2 SER 23 1HB SER 23 -1.986 8.074 2.670 165 HB3 SER 23 2HB SER 23 -0.302 8.090 2.149 166 HG SER 23 HG SER 23 -1.398 8.602 4.669 167 H LEU 24 H LEU 24 0.179 10.005 0.105 168 HA LEU 24 HA LEU 24 -1.546 10.892 -1.847 169 HB2 LEU 24 1HB LEU 24 0.591 8.795 -2.184 170 HB3 LEU 24 2HB LEU 24 -0.103 9.788 -3.463 171 HG LEU 24 HG LEU 24 1.505 10.869 -1.151 172 HD11 LEU 24 1HD1 LEU 24 2.382 9.466 -3.459 173 HD12 LEU 24 2HD1 LEU 24 3.349 10.263 -2.218 174 HD13 LEU 24 3HD1 LEU 24 2.825 11.164 -3.641 175 HD21 LEU 24 3HD2 LEU 24 -0.240 12.288 -2.468 176 HD22 LEU 24 1HD2 LEU 24 0.984 12.269 -3.738 177 HD23 LEU 24 2HD2 LEU 24 1.368 12.942 -2.153 178 H CYS 25 H CYS 25 -0.845 7.480 -1.075 179 HA CYS 25 HA CYS 25 -3.481 6.792 -2.203 180 HB2 CYS 25 1HB CYS 25 -2.596 4.715 -3.007 181 HB3 CYS 25 2HB CYS 25 -1.521 5.995 -3.560 182 H ALA 26 H ALA 26 -4.116 4.477 -1.382 183 HA ALA 26 HA ALA 26 -3.542 4.306 1.503 184 HB1 ALA 26 3HB ALA 26 -5.777 4.089 2.070 185 HB2 ALA 26 1HB ALA 26 -5.818 5.326 0.813 186 HB3 ALA 26 2HB ALA 26 -6.259 3.662 0.429 187 H CYS 27 H CYS 27 -2.525 2.451 1.858 188 HA CYS 27 HA CYS 27 -2.946 0.172 0.105 189 HB2 CYS 27 1HB CYS 27 -1.147 0.206 2.517 190 HB3 CYS 27 2HB CYS 27 -1.003 -0.760 1.052 191 H SER 28 H SER 28 -5.225 0.784 1.543 192 HA SER 28 HA SER 28 -5.352 -1.414 3.504 193 HB2 SER 28 1HB SER 28 -7.113 -0.199 4.662 194 HB3 SER 28 2HB SER 28 -5.694 0.837 4.504 195 HG SER 28 HG SER 28 -7.596 0.963 2.474 196 H ASP 29 H ASP 29 -7.789 -2.088 3.785 197 HA ASP 29 HA ASP 29 -8.580 -3.239 1.311 198 HB2 ASP 29 1HB ASP 29 -10.070 -3.100 3.940 199 HB3 ASP 29 2HB ASP 29 -10.489 -4.140 2.583 200 H ASP 30 H ASP 30 -9.819 -0.576 3.273 201 HA ASP 30 HA ASP 30 -12.205 -0.022 2.060 202 HB2 ASP 30 1HB ASP 30 -10.230 2.149 2.763 203 HB3 ASP 30 2HB ASP 30 -11.990 2.219 2.829 204 H CYS 31 H CYS 31 -8.976 0.898 0.930 205 HA CYS 31 HA CYS 31 -9.524 2.557 -1.155 206 HB2 CYS 31 1HB CYS 31 -7.417 2.089 -1.951 207 HB3 CYS 31 2HB CYS 31 -7.278 1.434 -0.323 208 H LYS 32 H LYS 32 -9.781 -0.973 -1.158 209 HA LYS 32 HA LYS 32 -10.258 -1.523 -3.787 210 HB2 LYS 32 1HB LYS 32 -11.604 -2.671 -1.340 211 HB3 LYS 32 2HB LYS 32 -11.808 -3.341 -2.953 212 HG2 LYS 32 1HG LYS 32 -9.157 -3.045 -1.561 213 HG3 LYS 32 2HG LYS 32 -10.123 -4.522 -1.579 214 HD2 LYS 32 1HD LYS 32 -9.993 -4.545 -4.041 215 HD3 LYS 32 2HD LYS 32 -8.975 -3.104 -3.985 216 HE2 LYS 32 1HE LYS 32 -7.436 -4.481 -2.472 217 HE3 LYS 32 2HE LYS 32 -8.355 -5.881 -3.023 218 HZ1 LYS 32 3HZ LYS 32 -7.768 -5.304 -5.306 219 HZ2 LYS 32 1HZ LYS 32 -6.386 -5.566 -4.365 220 HZ3 LYS 32 2HZ LYS 32 -6.857 -3.989 -4.755 221 H ASP 33 H ASP 33 -12.534 -0.167 -1.452 222 HA ASP 33 HA ASP 33 -14.789 -0.220 -3.181 223 HB2 ASP 33 1HB ASP 33 -14.351 1.651 -0.850 224 HB3 ASP 33 2HB ASP 33 -15.889 1.125 -1.528 225 H GLN 34 H GLN 34 -12.888 2.572 -2.025 226 HA GLN 34 HA GLN 34 -13.938 4.312 -4.017 227 HB2 GLN 34 1HB GLN 34 -11.853 4.491 -1.901 228 HB3 GLN 34 2HB GLN 34 -11.789 5.666 -3.207 229 HG2 GLN 34 1HG GLN 34 -14.305 6.011 -2.664 230 HG3 GLN 34 2HG GLN 34 -13.883 5.268 -1.122 231 HE21 GLN 34 1HE2 GLN 34 -12.142 6.272 0.103 232 HE22 GLN 34 2HE2 GLN 34 -11.925 7.982 0.004 233 H GLY 35 H GLY 35 -10.571 3.224 -3.512 234 HA2 GLY 35 1HA GLY 35 -9.425 2.114 -5.383 235 HA3 GLY 35 2HA GLY 35 -10.263 3.230 -6.452 236 H ASP 36 H ASP 36 -8.378 3.640 -3.455 237 HA ASP 36 HA ASP 36 -6.869 5.767 -4.809 238 HB2 ASP 36 1HB ASP 36 -8.173 6.027 -2.523 239 HB3 ASP 36 2HB ASP 36 -6.703 5.321 -1.860 240 H CYS 37 H CYS 37 -6.608 2.597 -3.586 241 HA CYS 37 HA CYS 37 -4.094 2.281 -2.633 242 HB2 CYS 37 1HB CYS 37 -5.833 0.600 -4.362 243 HB3 CYS 37 2HB CYS 37 -4.146 0.119 -4.213 244 H CYS 38 H CYS 38 -2.124 2.810 -3.285 245 HA CYS 38 HA CYS 38 -1.347 4.230 -5.405 246 HB2 CYS 38 1HB CYS 38 0.050 2.132 -3.824 247 HB3 CYS 38 2HB CYS 38 0.843 2.699 -5.290 248 H ILE 39 H ILE 39 -0.465 3.855 -7.486 249 HA ILE 39 HA ILE 39 -1.927 2.186 -9.144 250 HB ILE 39 HB ILE 39 -0.654 4.099 -9.984 251 HG12 ILE 39 1HG1 ILE 39 0.377 1.598 -11.318 252 HG13 ILE 39 2HG1 ILE 39 -1.301 2.111 -11.441 253 HG21 ILE 39 1HG2 ILE 39 1.654 4.235 -10.046 254 HG22 ILE 39 2HG2 ILE 39 1.363 3.466 -8.485 255 HG23 ILE 39 3HG2 ILE 39 1.864 2.493 -9.868 256 HD11 ILE 39 3HD1 ILE 39 -0.758 3.408 -13.140 257 HD12 ILE 39 1HD1 ILE 39 0.307 4.338 -12.086 258 HD13 ILE 39 2HD1 ILE 39 0.936 2.947 -12.970 259 H ASN 40 H ASN 40 1.222 1.629 -7.630 260 HA ASN 40 HA ASN 40 1.293 -1.077 -8.742 261 HB2 ASN 40 1HB ASN 40 3.604 -1.147 -7.873 262 HB3 ASN 40 2HB ASN 40 3.347 0.225 -8.946 263 HD21 ASN 40 1HD2 ASN 40 4.795 -0.669 -6.193 264 HD22 ASN 40 2HD2 ASN 40 4.821 0.840 -5.351 265 H TYR 41 H TYR 41 -0.721 -0.743 -6.920 266 HA TYR 41 HA TYR 41 0.140 -1.527 -4.287 267 HB2 TYR 41 1HB TYR 41 -1.832 -0.196 -4.388 268 HB3 TYR 41 2HB TYR 41 -2.573 -1.257 -5.579 269 HD1 TYR 41 HD2 TYR 41 -3.563 -3.383 -4.909 270 HD2 TYR 41 HD1 TYR 41 -1.826 -0.771 -2.034 271 HE1 TYR 41 HE2 TYR 41 -4.675 -4.635 -3.108 272 HE2 TYR 41 HE1 TYR 41 -2.933 -2.017 -0.226 273 HH TYR 41 HH TYR 41 -4.857 -3.485 0.090 274 H SER 42 H SER 42 -1.449 -3.102 -7.035 275 HA SER 42 HA SER 42 -1.739 -5.627 -5.768 276 HB2 SER 42 1HB SER 42 -2.194 -6.468 -8.058 277 HB3 SER 42 2HB SER 42 -3.129 -5.022 -7.676 278 HG SER 42 HG SER 42 -1.958 -3.873 -9.062 279 H SER 43 H SER 43 0.700 -4.248 -7.926 280 HA SER 43 HA SER 43 2.221 -6.579 -8.301 281 HB2 SER 43 1HB SER 43 2.403 -4.405 -9.598 282 HB3 SER 43 2HB SER 43 3.331 -3.769 -8.240 283 HG SER 43 HG SER 43 4.913 -5.261 -8.624 284 H VAL 44 H VAL 44 2.405 -4.028 -5.856 285 HA VAL 44 HA VAL 44 4.700 -5.143 -4.553 286 HB VAL 44 HB VAL 44 2.715 -3.088 -3.572 287 HG11 VAL 44 1HG1 VAL 44 4.737 -4.503 -2.170 288 HG12 VAL 44 2HG1 VAL 44 5.266 -2.830 -2.355 289 HG13 VAL 44 3HG1 VAL 44 3.714 -3.187 -1.594 290 HG21 VAL 44 3HG2 VAL 44 5.440 -2.270 -4.275 291 HG22 VAL 44 1HG2 VAL 44 4.471 -2.836 -5.635 292 HG23 VAL 44 2HG2 VAL 44 3.895 -1.501 -4.637 293 H CYS 45 H CYS 45 1.247 -4.932 -3.695 294 HA CYS 45 HA CYS 45 1.515 -6.589 -1.392 295 HB2 CYS 45 1HB CYS 45 -0.915 -5.732 -2.974 296 HB3 CYS 45 2HB CYS 45 -0.991 -6.629 -1.460 297 H GLN 46 H GLN 46 -0.338 -7.201 -4.379 298 HA GLN 46 HA GLN 46 -0.310 -10.034 -3.910 299 HB2 GLN 46 1HB GLN 46 -1.276 -8.385 -6.249 300 HB3 GLN 46 2HB GLN 46 -1.461 -10.130 -6.136 301 HG2 GLN 46 1HG GLN 46 -2.634 -9.610 -3.888 302 HG3 GLN 46 2HG GLN 46 -2.792 -7.983 -4.548 303 HE21 GLN 46 1HE2 GLN 46 -4.065 -7.657 -6.389 304 HE22 GLN 46 2HE2 GLN 46 -5.250 -8.810 -6.888 305 H GLY 47 H GLY 47 1.790 -10.770 -3.979 306 HA2 GLY 47 1HA GLY 47 3.418 -10.177 -6.331 307 HA3 GLY 47 2HA GLY 47 3.949 -11.023 -4.884 308 H GLU 48 H GLU 48 4.517 -13.035 -5.339 309 HA GLU 48 HA GLU 48 3.321 -14.419 -7.596 310 HB2 GLU 48 1HB GLU 48 5.811 -14.416 -7.069 311 HB3 GLU 48 2HB GLU 48 5.431 -15.483 -5.725 312 HG2 GLU 48 1HG GLU 48 4.613 -17.170 -7.204 313 HG3 GLU 48 2HG GLU 48 4.741 -16.086 -8.588 314 H LYS 49 H LYS 49 3.984 -15.275 -4.195 315 HA LYS 49 HA LYS 49 1.566 -16.958 -4.253 316 HB2 LYS 49 1HB LYS 49 4.054 -17.263 -2.561 317 HB3 LYS 49 2HB LYS 49 2.627 -18.287 -2.459 318 HG2 LYS 49 1HG LYS 49 2.992 -18.975 -4.798 319 HG3 LYS 49 2HG LYS 49 4.468 -18.009 -4.825 320 HD2 LYS 49 1HD LYS 49 5.593 -19.445 -3.426 321 HD3 LYS 49 2HD LYS 49 4.114 -20.034 -2.666 322 HE2 LYS 49 1HE LYS 49 3.572 -21.339 -4.607 323 HE3 LYS 49 2HE LYS 49 4.913 -20.635 -5.510 324 HZ1 LYS 49 3HZ LYS 49 5.034 -22.963 -4.190 325 HZ2 LYS 49 1HZ LYS 49 5.662 -21.909 -3.026 326 HZ3 LYS 49 2HZ LYS 49 6.381 -22.008 -4.554 327 H SER 50 H SER 50 0.519 -17.230 -2.084 328 HA SER 50 HA SER 50 0.708 -14.765 -0.484 329 HB2 SER 50 1HB SER 50 -1.805 -16.176 -1.405 330 HB3 SER 50 2HB SER 50 -1.780 -14.896 -0.193 331 HG SER 50 HG SER 50 -2.014 -13.689 -1.916 332 H SER 51 H SER 51 2.056 -17.097 0.166 333 HA SER 51 HA SER 51 0.526 -18.679 2.009 334 HB2 SER 51 1HB SER 51 2.778 -19.627 2.616 335 HB3 SER 51 2HB SER 51 2.380 -19.738 0.901 336 HG SER 51 HG SER 51 4.556 -18.924 1.524 337 H GLY 52 H GLY 52 0.201 -18.356 4.121 338 HA2 GLY 52 1HA GLY 52 0.967 -15.878 5.318 339 HA3 GLY 52 2HA GLY 52 0.108 -17.193 6.108 340 HA PRO 53 HA PRO 53 4.257 -16.935 8.089 341 HB2 PRO 53 1HB PRO 53 3.329 -17.409 10.596 342 HB3 PRO 53 2HB PRO 53 3.362 -15.797 9.873 343 HG2 PRO 53 1HG PRO 53 1.078 -17.716 10.119 344 HG3 PRO 53 2HG PRO 53 1.101 -15.965 10.389 345 HD2 PRO 53 1HD PRO 53 0.161 -17.074 8.104 346 HD3 PRO 53 2HD PRO 53 0.960 -15.489 8.139 347 H SER 54 H SER 54 5.055 -18.581 9.909 348 HA SER 54 HA SER 54 4.625 -21.221 8.759 349 HB2 SER 54 1HB SER 54 6.933 -20.383 9.143 350 HB3 SER 54 2HB SER 54 6.606 -20.348 10.876 351 HG SER 54 HG SER 54 6.102 -22.733 9.529 352 H SER 55 H SER 55 3.028 -22.408 9.560 353 HA SER 55 HA SER 55 2.322 -22.141 12.394 354 HB2 SER 55 1HB SER 55 0.657 -22.043 10.326 355 HB3 SER 55 2HB SER 55 0.699 -23.796 10.512 356 HG SER 55 HG SER 55 0.406 -22.821 12.924 357 H GLY 56 H GLY 56 1.554 -24.239 13.440 358 HA2 GLY 56 1HA GLY 56 1.798 -26.698 13.368 359 HA3 GLY 56 2HA GLY 56 3.395 -26.426 12.686 Start of MODEL 13 1 H1 GLY 1 H GLY 1 8.306 20.050 8.087 2 HA2 GLY 1 1HA GLY 1 7.443 22.341 9.139 3 HA3 GLY 1 2HA GLY 1 8.729 22.932 8.097 4 H SER 2 H SER 2 8.557 21.683 5.813 5 HA SER 2 HA SER 2 5.795 22.163 4.910 6 HB2 SER 2 1HB SER 2 8.321 22.338 3.253 7 HB3 SER 2 2HB SER 2 6.697 22.820 2.765 8 HG SER 2 HG SER 2 8.339 24.013 4.743 9 H SER 3 H SER 3 5.252 20.951 2.842 10 HA SER 3 HA SER 3 5.156 18.240 3.293 11 HB2 SER 3 1HB SER 3 3.655 19.155 1.696 12 HB3 SER 3 2HB SER 3 4.971 19.808 0.720 13 HG SER 3 HG SER 3 4.066 17.161 0.954 14 H GLY 4 H GLY 4 6.784 16.858 3.515 15 HA2 GLY 4 1HA GLY 4 9.200 17.236 1.875 16 HA3 GLY 4 2HA GLY 4 9.119 16.325 3.378 17 H SER 5 H SER 5 8.837 14.178 3.288 18 HA SER 5 HA SER 5 9.227 12.729 0.980 19 HB2 SER 5 1HB SER 5 8.379 10.769 2.244 20 HB3 SER 5 2HB SER 5 9.499 11.743 3.194 21 HG SER 5 HG SER 5 7.421 11.037 4.201 22 H SER 6 H SER 6 7.906 11.586 -0.438 23 HA SER 6 HA SER 6 5.225 12.711 -0.741 24 HB2 SER 6 1HB SER 6 7.132 11.309 -2.588 25 HB3 SER 6 2HB SER 6 5.416 11.380 -2.985 26 HG SER 6 HG SER 6 7.077 13.180 -3.597 27 H GLY 7 H GLY 7 6.704 9.483 -1.157 28 HA2 GLY 7 1HA GLY 7 5.958 7.406 -0.496 29 HA3 GLY 7 2HA GLY 7 4.791 8.215 0.538 30 H TRP 8 H TRP 8 5.404 7.507 -2.895 31 HA TRP 8 HA TRP 8 2.506 7.069 -3.204 32 HB2 TRP 8 1HB TRP 8 4.426 8.249 -5.222 33 HB3 TRP 8 2HB TRP 8 2.745 7.841 -5.552 34 HD1 TRP 8 HD1 TRP 8 4.605 10.790 -5.054 35 HE1 TRP 8 HE1 TRP 8 3.250 12.670 -3.934 36 HE3 TRP 8 HE3 TRP 8 0.739 8.008 -3.198 37 HZ2 TRP 8 HZ2 TRP 8 0.858 12.937 -2.458 38 HZ3 TRP 8 HZ3 TRP 8 -1.042 9.152 -1.944 39 HH2 TRP 8 HH2 TRP 8 -0.981 11.566 -1.582 40 H THR 9 H THR 9 4.257 5.039 -2.447 41 HA THR 9 HA THR 9 3.974 3.249 -4.732 42 HB THR 9 HB THR 9 6.271 2.284 -4.265 43 HG1 THR 9 HG1 THR 9 6.296 3.837 -2.260 44 HG21 THR 9 3HG2 THR 9 6.175 5.111 -5.324 45 HG22 THR 9 1HG2 THR 9 5.775 3.662 -6.245 46 HG23 THR 9 2HG2 THR 9 7.422 3.912 -5.666 47 H CYS 10 H CYS 10 2.602 1.818 -3.864 48 HA CYS 10 HA CYS 10 2.337 1.159 -1.176 49 HB2 CYS 10 1HB CYS 10 1.617 -0.329 -3.696 50 HB3 CYS 10 2HB CYS 10 1.257 -0.980 -2.100 51 H ASN 11 H ASN 11 3.269 -0.294 0.166 52 HA ASN 11 HA ASN 11 5.316 -2.087 -0.950 53 HB2 ASN 11 1HB ASN 11 6.094 0.118 0.296 54 HB3 ASN 11 2HB ASN 11 5.770 -0.852 1.730 55 HD21 ASN 11 1HD2 ASN 11 8.213 0.168 0.066 56 HD22 ASN 11 2HD2 ASN 11 9.264 -1.202 0.081 57 H LYS 12 H LYS 12 5.859 -3.907 0.457 58 HA LYS 12 HA LYS 12 3.728 -5.417 1.245 59 HB2 LYS 12 1HB LYS 12 6.184 -6.095 1.011 60 HB3 LYS 12 2HB LYS 12 6.377 -5.567 2.676 61 HG2 LYS 12 1HG LYS 12 6.040 -7.874 2.809 62 HG3 LYS 12 2HG LYS 12 4.480 -7.167 3.237 63 HD2 LYS 12 1HD LYS 12 4.015 -8.950 1.750 64 HD3 LYS 12 2HD LYS 12 3.821 -7.465 0.816 65 HE2 LYS 12 1HE LYS 12 5.032 -9.122 -0.478 66 HE3 LYS 12 2HE LYS 12 6.083 -7.760 -0.094 67 HZ1 LYS 12 3HZ LYS 12 6.490 -10.467 0.469 68 HZ2 LYS 12 1HZ LYS 12 6.317 -9.662 1.947 69 HZ3 LYS 12 2HZ LYS 12 7.496 -9.160 0.843 70 H PHE 13 H PHE 13 5.804 -3.533 3.452 71 HA PHE 13 HA PHE 13 4.357 -4.020 5.785 72 HB2 PHE 13 1HB PHE 13 6.662 -2.892 5.470 73 HB3 PHE 13 2HB PHE 13 5.745 -1.402 5.272 74 HD1 PHE 13 HD1 PHE 13 5.924 -4.311 7.602 75 HD2 PHE 13 HD2 PHE 13 5.420 -0.111 7.137 76 HE1 PHE 13 HE1 PHE 13 5.825 -4.056 10.047 77 HE2 PHE 13 HE2 PHE 13 5.321 0.151 9.581 78 HZ PHE 13 HZ PHE 13 5.525 -1.823 11.040 79 H ARG 14 H ARG 14 4.133 -1.261 3.547 80 HA ARG 14 HA ARG 14 2.208 0.240 4.783 81 HB2 ARG 14 1HB ARG 14 2.355 -0.300 1.811 82 HB3 ARG 14 2HB ARG 14 1.596 1.087 2.580 83 HG2 ARG 14 1HG ARG 14 4.495 0.521 3.026 84 HG3 ARG 14 2HG ARG 14 3.955 1.329 1.553 85 HD2 ARG 14 1HD ARG 14 2.623 2.802 3.319 86 HD3 ARG 14 2HD ARG 14 3.942 2.278 4.365 87 HE ARG 14 HE ARG 14 4.745 3.370 1.808 88 HH11 ARG 14 1HH1 ARG 14 4.103 3.989 5.174 89 HH12 ARG 14 2HH1 ARG 14 5.058 5.434 5.225 90 HH21 ARG 14 1HH2 ARG 14 6.005 5.271 1.862 91 HH22 ARG 14 2HH2 ARG 14 6.138 6.163 3.341 92 H CYS 15 H CYS 15 1.635 -2.446 2.516 93 HA CYS 15 HA CYS 15 -0.993 -2.564 2.187 94 HB2 CYS 15 1HB CYS 15 0.482 -4.982 3.237 95 HB3 CYS 15 2HB CYS 15 -0.903 -4.960 2.150 96 H GLY 16 H GLY 16 -2.255 -1.563 3.729 97 HA2 GLY 16 1HA GLY 16 -3.902 -2.207 5.399 98 HA3 GLY 16 2HA GLY 16 -2.635 -3.113 6.212 99 H GLU 17 H GLU 17 -2.824 0.225 4.976 100 HA GLU 17 HA GLU 17 -1.650 1.171 7.467 101 HB2 GLU 17 1HB GLU 17 -1.443 3.325 6.310 102 HB3 GLU 17 2HB GLU 17 -0.730 2.021 5.372 103 HG2 GLU 17 1HG GLU 17 -2.734 1.939 3.971 104 HG3 GLU 17 2HG GLU 17 -3.432 3.262 4.904 105 H LYS 18 H LYS 18 -2.590 3.526 8.020 106 HA LYS 18 HA LYS 18 -5.214 3.034 9.039 107 HB2 LYS 18 1HB LYS 18 -5.026 5.289 10.001 108 HB3 LYS 18 2HB LYS 18 -3.595 4.321 10.329 109 HG2 LYS 18 1HG LYS 18 -2.253 5.594 8.994 110 HG3 LYS 18 2HG LYS 18 -3.580 6.078 7.935 111 HD2 LYS 18 1HD LYS 18 -2.964 8.012 9.156 112 HD3 LYS 18 2HD LYS 18 -4.469 7.432 9.875 113 HE2 LYS 18 1HE LYS 18 -2.940 6.173 11.521 114 HE3 LYS 18 2HE LYS 18 -1.672 7.254 10.945 115 HZ1 LYS 18 3HZ LYS 18 -2.570 8.294 12.818 116 HZ2 LYS 18 1HZ LYS 18 -4.167 7.955 12.371 117 HZ3 LYS 18 2HZ LYS 18 -3.276 9.111 11.516 118 H ARG 19 H ARG 19 -6.861 4.937 8.851 119 HA ARG 19 HA ARG 19 -7.802 4.969 6.200 120 HB2 ARG 19 1HB ARG 19 -9.568 6.373 6.994 121 HB3 ARG 19 2HB ARG 19 -9.203 5.216 8.267 122 HG2 ARG 19 1HG ARG 19 -7.943 6.897 9.475 123 HG3 ARG 19 2HG ARG 19 -8.221 8.061 8.177 124 HD2 ARG 19 1HD ARG 19 -10.550 8.130 8.621 125 HD3 ARG 19 2HD ARG 19 -10.455 6.732 9.691 126 HE ARG 19 HE ARG 19 -9.700 8.104 11.386 127 HH11 ARG 19 1HH1 ARG 19 -9.775 9.847 8.374 128 HH12 ARG 19 2HH1 ARG 19 -9.528 11.395 9.112 129 HH21 ARG 19 1HH2 ARG 19 -9.374 10.136 12.371 130 HH22 ARG 19 2HH2 ARG 19 -9.298 11.557 11.386 131 H LEU 20 H LEU 20 -8.404 7.078 5.066 132 HA LEU 20 HA LEU 20 -6.373 9.157 5.360 133 HB2 LEU 20 1HB LEU 20 -5.625 9.068 3.145 134 HB3 LEU 20 2HB LEU 20 -5.621 7.395 3.698 135 HG LEU 20 HG LEU 20 -7.783 8.621 1.989 136 HD11 LEU 20 1HD1 LEU 20 -6.671 6.979 0.296 137 HD12 LEU 20 2HD1 LEU 20 -5.245 7.211 1.306 138 HD13 LEU 20 3HD1 LEU 20 -6.009 8.597 0.527 139 HD21 LEU 20 3HD2 LEU 20 -7.420 6.042 3.335 140 HD22 LEU 20 1HD2 LEU 20 -7.859 5.927 1.630 141 HD23 LEU 20 2HD2 LEU 20 -8.889 6.822 2.748 142 H THR 21 H THR 21 -6.896 11.128 4.209 143 HA THR 21 HA THR 21 -9.800 11.424 3.834 144 HB THR 21 HB THR 21 -9.418 13.852 4.258 145 HG1 THR 21 HG1 THR 21 -6.811 13.014 5.049 146 HG21 THR 21 3HG2 THR 21 -9.401 11.708 6.111 147 HG22 THR 21 1HG2 THR 21 -9.980 13.355 6.354 148 HG23 THR 21 2HG2 THR 21 -8.304 12.946 6.720 149 H ARG 22 H ARG 22 -6.748 12.840 2.639 150 HA ARG 22 HA ARG 22 -7.818 12.737 -0.078 151 HB2 ARG 22 1HB ARG 22 -7.092 15.207 1.427 152 HB3 ARG 22 2HB ARG 22 -6.691 15.132 -0.283 153 HG2 ARG 22 1HG ARG 22 -9.455 14.575 0.749 154 HG3 ARG 22 2HG ARG 22 -8.902 16.197 0.328 155 HD2 ARG 22 1HD ARG 22 -8.378 15.406 -1.942 156 HD3 ARG 22 2HD ARG 22 -8.981 13.807 -1.511 157 HE ARG 22 HE ARG 22 -11.101 15.334 -0.971 158 HH11 ARG 22 1HH1 ARG 22 -8.988 15.245 -3.736 159 HH12 ARG 22 2HH1 ARG 22 -10.212 15.753 -4.852 160 HH21 ARG 22 1HH2 ARG 22 -12.722 16.004 -2.430 161 HH22 ARG 22 2HH2 ARG 22 -12.335 16.185 -4.108 162 H SER 23 H SER 23 -6.370 11.579 -1.156 163 HA SER 23 HA SER 23 -3.599 12.394 -1.193 164 HB2 SER 23 1HB SER 23 -2.613 10.471 -0.326 165 HB3 SER 23 2HB SER 23 -3.997 10.684 0.746 166 HG SER 23 HG SER 23 -3.977 8.562 0.093 167 H LEU 24 H LEU 24 -2.347 11.188 -2.835 168 HA LEU 24 HA LEU 24 -3.786 10.984 -5.251 169 HB2 LEU 24 1HB LEU 24 -1.024 9.956 -4.611 170 HB3 LEU 24 2HB LEU 24 -1.687 10.216 -6.223 171 HG LEU 24 HG LEU 24 -1.210 12.405 -4.205 172 HD11 LEU 24 1HD1 LEU 24 0.749 10.999 -5.453 173 HD12 LEU 24 2HD1 LEU 24 0.882 12.686 -4.959 174 HD13 LEU 24 3HD1 LEU 24 0.447 12.286 -6.620 175 HD21 LEU 24 3HD2 LEU 24 -1.850 13.909 -5.825 176 HD22 LEU 24 1HD2 LEU 24 -2.961 12.575 -6.137 177 HD23 LEU 24 2HD2 LEU 24 -1.531 12.787 -7.148 178 H CYS 25 H CYS 25 -2.461 8.539 -3.059 179 HA CYS 25 HA CYS 25 -4.308 6.585 -4.192 180 HB2 CYS 25 1HB CYS 25 -2.680 4.933 -4.632 181 HB3 CYS 25 2HB CYS 25 -2.032 6.409 -5.339 182 H ALA 26 H ALA 26 -4.550 4.668 -2.831 183 HA ALA 26 HA ALA 26 -3.731 5.120 -0.039 184 HB1 ALA 26 3HB ALA 26 -5.827 5.144 0.727 185 HB2 ALA 26 1HB ALA 26 -6.302 5.453 -0.942 186 HB3 ALA 26 2HB ALA 26 -6.317 3.806 -0.311 187 H CYS 27 H CYS 27 -2.471 3.494 0.565 188 HA CYS 27 HA CYS 27 -2.749 0.882 -0.703 189 HB2 CYS 27 1HB CYS 27 -0.657 1.913 1.226 190 HB3 CYS 27 2HB CYS 27 -0.615 0.354 0.407 191 H SER 28 H SER 28 -4.897 1.464 0.903 192 HA SER 28 HA SER 28 -4.440 -0.243 3.263 193 HB2 SER 28 1HB SER 28 -6.352 0.928 4.317 194 HB3 SER 28 2HB SER 28 -5.035 2.032 3.923 195 HG SER 28 HG SER 28 -6.452 2.121 1.815 196 H ASP 29 H ASP 29 -6.742 -1.113 4.018 197 HA ASP 29 HA ASP 29 -7.557 -2.938 1.998 198 HB2 ASP 29 1HB ASP 29 -8.592 -2.323 4.762 199 HB3 ASP 29 2HB ASP 29 -9.354 -3.527 3.726 200 H ASP 30 H ASP 30 -8.916 0.030 3.302 201 HA ASP 30 HA ASP 30 -11.329 -0.233 1.706 202 HB2 ASP 30 1HB ASP 30 -12.193 1.542 2.921 203 HB3 ASP 30 2HB ASP 30 -11.097 0.813 4.092 204 H CYS 31 H CYS 31 -8.884 -0.128 0.247 205 HA CYS 31 HA CYS 31 -8.910 2.546 -0.956 206 HB2 CYS 31 1HB CYS 31 -6.769 2.130 -1.766 207 HB3 CYS 31 2HB CYS 31 -6.759 1.270 -0.230 208 H LYS 32 H LYS 32 -9.469 -0.846 -1.683 209 HA LYS 32 HA LYS 32 -9.794 -0.552 -4.482 210 HB2 LYS 32 1HB LYS 32 -10.727 -2.644 -2.521 211 HB3 LYS 32 2HB LYS 32 -11.062 -2.755 -4.244 212 HG2 LYS 32 1HG LYS 32 -8.888 -3.195 -4.783 213 HG3 LYS 32 2HG LYS 32 -8.250 -2.333 -3.381 214 HD2 LYS 32 1HD LYS 32 -9.091 -4.151 -1.929 215 HD3 LYS 32 2HD LYS 32 -9.621 -5.022 -3.370 216 HE2 LYS 32 1HE LYS 32 -6.792 -4.118 -3.237 217 HE3 LYS 32 2HE LYS 32 -7.272 -5.486 -2.234 218 HZ1 LYS 32 3HZ LYS 32 -8.117 -5.551 -5.020 219 HZ2 LYS 32 1HZ LYS 32 -7.578 -6.806 -4.021 220 HZ3 LYS 32 2HZ LYS 32 -6.462 -5.754 -4.733 221 H ASP 33 H ASP 33 -12.246 -1.012 -1.928 222 HA ASP 33 HA ASP 33 -14.537 -0.722 -3.363 223 HB2 ASP 33 1HB ASP 33 -14.103 0.609 -0.686 224 HB3 ASP 33 2HB ASP 33 -15.625 0.027 -1.353 225 H GLN 34 H GLN 34 -12.423 1.875 -2.235 226 HA GLN 34 HA GLN 34 -14.130 3.933 -3.322 227 HB2 GLN 34 1HB GLN 34 -11.584 3.848 -1.788 228 HB3 GLN 34 2HB GLN 34 -11.885 5.274 -2.773 229 HG2 GLN 34 1HG GLN 34 -14.230 5.169 -1.555 230 HG3 GLN 34 2HG GLN 34 -13.278 4.315 -0.341 231 HE21 GLN 34 1HE2 GLN 34 -13.853 7.332 -1.936 232 HE22 GLN 34 2HE2 GLN 34 -12.895 8.311 -0.884 233 H GLY 35 H GLY 35 -10.700 3.128 -3.919 234 HA2 GLY 35 1HA GLY 35 -10.145 2.528 -6.282 235 HA3 GLY 35 2HA GLY 35 -11.145 3.901 -6.738 236 H ASP 36 H ASP 36 -8.574 3.432 -4.313 237 HA ASP 36 HA ASP 36 -7.136 5.680 -5.563 238 HB2 ASP 36 1HB ASP 36 -7.677 5.115 -2.661 239 HB3 ASP 36 2HB ASP 36 -6.276 6.068 -3.145 240 H CYS 37 H CYS 37 -7.051 2.475 -4.392 241 HA CYS 37 HA CYS 37 -4.609 1.855 -3.537 242 HB2 CYS 37 1HB CYS 37 -5.694 0.376 -5.928 243 HB3 CYS 37 2HB CYS 37 -4.781 -0.269 -4.568 244 H CYS 38 H CYS 38 -2.652 2.570 -4.031 245 HA CYS 38 HA CYS 38 -1.865 4.013 -6.208 246 HB2 CYS 38 1HB CYS 38 0.027 2.047 -4.941 247 HB3 CYS 38 2HB CYS 38 0.362 3.670 -5.536 248 H ILE 39 H ILE 39 -0.878 3.599 -8.182 249 HA ILE 39 HA ILE 39 -1.838 1.649 -9.804 250 HB ILE 39 HB ILE 39 -0.533 3.546 -10.637 251 HG12 ILE 39 1HG1 ILE 39 0.930 1.113 -11.599 252 HG13 ILE 39 2HG1 ILE 39 -0.806 1.239 -11.856 253 HG21 ILE 39 1HG2 ILE 39 1.738 3.822 -10.345 254 HG22 ILE 39 2HG2 ILE 39 1.257 3.147 -8.789 255 HG23 ILE 39 3HG2 ILE 39 2.010 2.114 -10.003 256 HD11 ILE 39 3HD1 ILE 39 -0.598 2.916 -13.374 257 HD12 ILE 39 1HD1 ILE 39 0.887 3.537 -12.653 258 HD13 ILE 39 2HD1 ILE 39 0.930 2.079 -13.645 259 H ASN 40 H ASN 40 1.157 1.454 -7.904 260 HA ASN 40 HA ASN 40 1.454 -1.357 -8.642 261 HB2 ASN 40 1HB ASN 40 3.639 -1.189 -7.473 262 HB3 ASN 40 2HB ASN 40 3.468 -0.010 -8.771 263 HD21 ASN 40 1HD2 ASN 40 4.333 -0.464 -5.601 264 HD22 ASN 40 2HD2 ASN 40 4.292 1.179 -5.067 265 H TYR 41 H TYR 41 -0.751 -0.623 -6.980 266 HA TYR 41 HA TYR 41 -0.190 -1.141 -4.243 267 HB2 TYR 41 1HB TYR 41 -2.193 0.058 -4.806 268 HB3 TYR 41 2HB TYR 41 -2.757 -1.254 -5.834 269 HD1 TYR 41 HD2 TYR 41 -3.275 -3.499 -4.700 270 HD2 TYR 41 HD1 TYR 41 -2.820 0.147 -2.556 271 HE1 TYR 41 HE2 TYR 41 -4.497 -4.471 -2.799 272 HE2 TYR 41 HE1 TYR 41 -4.039 -0.814 -0.649 273 HH TYR 41 HH TYR 41 -5.428 -4.071 -0.810 274 H SER 42 H SER 42 -1.890 -3.148 -6.659 275 HA SER 42 HA SER 42 -1.753 -5.494 -5.050 276 HB2 SER 42 1HB SER 42 -3.531 -5.620 -6.514 277 HB3 SER 42 2HB SER 42 -2.638 -4.857 -7.830 278 HG SER 42 HG SER 42 -2.842 -7.510 -7.143 279 H SER 43 H SER 43 0.163 -4.205 -7.707 280 HA SER 43 HA SER 43 1.693 -6.435 -8.335 281 HB2 SER 43 1HB SER 43 1.785 -4.404 -9.673 282 HB3 SER 43 2HB SER 43 2.501 -3.517 -8.330 283 HG SER 43 HG SER 43 4.102 -4.189 -9.786 284 H VAL 44 H VAL 44 1.977 -4.183 -5.665 285 HA VAL 44 HA VAL 44 4.437 -5.473 -4.748 286 HB VAL 44 HB VAL 44 2.971 -3.058 -3.679 287 HG11 VAL 44 1HG1 VAL 44 5.018 -4.731 -2.502 288 HG12 VAL 44 2HG1 VAL 44 5.560 -3.061 -2.683 289 HG13 VAL 44 3HG1 VAL 44 4.084 -3.418 -1.785 290 HG21 VAL 44 3HG2 VAL 44 5.071 -1.901 -4.495 291 HG22 VAL 44 1HG2 VAL 44 5.439 -3.389 -5.366 292 HG23 VAL 44 2HG2 VAL 44 3.972 -2.486 -5.744 293 H CYS 45 H CYS 45 1.218 -4.634 -3.466 294 HA CYS 45 HA CYS 45 1.527 -6.230 -1.121 295 HB2 CYS 45 1HB CYS 45 -0.865 -4.919 -2.412 296 HB3 CYS 45 2HB CYS 45 -0.980 -5.847 -0.921 297 H GLN 46 H GLN 46 -0.913 -6.592 -3.692 298 HA GLN 46 HA GLN 46 -1.182 -9.400 -3.112 299 HB2 GLN 46 1HB GLN 46 -2.448 -7.602 -5.178 300 HB3 GLN 46 2HB GLN 46 -2.797 -9.322 -5.061 301 HG2 GLN 46 1HG GLN 46 -3.474 -8.895 -2.670 302 HG3 GLN 46 2HG GLN 46 -3.383 -7.175 -3.047 303 HE21 GLN 46 1HE2 GLN 46 -5.258 -9.992 -3.189 304 HE22 GLN 46 2HE2 GLN 46 -6.588 -9.354 -4.088 305 H GLY 47 H GLY 47 1.011 -10.049 -3.588 306 HA2 GLY 47 1HA GLY 47 2.260 -9.743 -6.076 307 HA3 GLY 47 2HA GLY 47 2.595 -11.030 -4.927 308 H GLU 48 H GLU 48 2.822 -12.651 -6.434 309 HA GLU 48 HA GLU 48 0.474 -13.241 -8.105 310 HB2 GLU 48 1HB GLU 48 2.818 -12.951 -9.122 311 HB3 GLU 48 2HB GLU 48 3.186 -14.512 -8.402 312 HG2 GLU 48 1HG GLU 48 2.522 -14.634 -10.781 313 HG3 GLU 48 2HG GLU 48 1.501 -15.589 -9.706 314 H LYS 49 H LYS 49 -0.836 -14.778 -7.404 315 HA LYS 49 HA LYS 49 0.291 -16.956 -5.768 316 HB2 LYS 49 1HB LYS 49 -1.813 -17.078 -4.566 317 HB3 LYS 49 2HB LYS 49 -1.167 -15.446 -4.466 318 HG2 LYS 49 1HG LYS 49 -2.838 -14.553 -5.723 319 HG3 LYS 49 2HG LYS 49 -3.085 -16.035 -6.650 320 HD2 LYS 49 1HD LYS 49 -3.718 -16.116 -3.752 321 HD3 LYS 49 2HD LYS 49 -4.808 -15.200 -4.795 322 HE2 LYS 49 1HE LYS 49 -5.695 -17.380 -4.717 323 HE3 LYS 49 2HE LYS 49 -4.885 -17.257 -6.278 324 HZ1 LYS 49 3HZ LYS 49 -4.358 -19.345 -5.235 325 HZ2 LYS 49 1HZ LYS 49 -3.806 -18.564 -3.840 326 HZ3 LYS 49 2HZ LYS 49 -2.964 -18.389 -5.296 327 H SER 50 H SER 50 0.243 -17.123 -8.540 328 HA SER 50 HA SER 50 -1.831 -18.096 -9.929 329 HB2 SER 50 1HB SER 50 0.602 -18.021 -10.652 330 HB3 SER 50 2HB SER 50 0.795 -19.591 -9.872 331 HG SER 50 HG SER 50 -1.274 -19.938 -11.331 332 H SER 51 H SER 51 0.068 -20.044 -7.635 333 HA SER 51 HA SER 51 -1.954 -22.155 -7.777 334 HB2 SER 51 1HB SER 51 -0.345 -23.567 -6.647 335 HB3 SER 51 2HB SER 51 0.467 -22.748 -7.982 336 HG SER 51 HG SER 51 0.910 -22.569 -5.287 337 H GLY 52 H GLY 52 -3.281 -22.673 -6.118 338 HA2 GLY 52 1HA GLY 52 -3.782 -20.765 -4.096 339 HA3 GLY 52 2HA GLY 52 -4.480 -22.375 -4.183 340 HA PRO 53 HA PRO 53 -2.123 -23.649 -0.720 341 HB2 PRO 53 1HB PRO 53 -1.562 -26.236 -1.327 342 HB3 PRO 53 2HB PRO 53 -3.179 -25.684 -0.874 343 HG2 PRO 53 1HG PRO 53 -2.052 -26.210 -3.597 344 HG3 PRO 53 2HG PRO 53 -3.643 -26.641 -2.942 345 HD2 PRO 53 1HD PRO 53 -3.264 -24.505 -4.562 346 HD3 PRO 53 2HD PRO 53 -4.495 -24.527 -3.284 347 H SER 54 H SER 54 -0.306 -22.241 -1.159 348 HA SER 54 HA SER 54 1.900 -23.201 -2.732 349 HB2 SER 54 1HB SER 54 1.480 -20.810 -0.951 350 HB3 SER 54 2HB SER 54 3.067 -21.185 -1.621 351 HG SER 54 HG SER 54 2.322 -20.822 -3.633 352 H SER 55 H SER 55 1.387 -22.609 0.744 353 HA SER 55 HA SER 55 3.782 -23.442 1.760 354 HB2 SER 55 1HB SER 55 1.882 -22.545 3.101 355 HB3 SER 55 2HB SER 55 1.084 -24.111 2.960 356 HG SER 55 HG SER 55 3.427 -23.428 4.363 357 H GLY 56 H GLY 56 1.006 -25.512 0.950 358 HA2 GLY 56 1HA GLY 56 1.896 -27.960 1.789 359 HA3 GLY 56 2HA GLY 56 0.944 -27.729 0.330 Start of MODEL 14 1 H1 GLY 1 H GLY 1 13.531 3.163 14.544 2 HA2 GLY 1 1HA GLY 1 14.950 4.239 12.838 3 HA3 GLY 1 2HA GLY 1 15.409 2.556 13.044 4 H SER 2 H SER 2 15.865 1.699 11.134 5 HA SER 2 HA SER 2 14.280 2.514 8.800 6 HB2 SER 2 1HB SER 2 16.124 1.657 7.442 7 HB3 SER 2 2HB SER 2 16.733 2.805 8.634 8 HG SER 2 HG SER 2 16.962 0.649 9.903 9 H SER 3 H SER 3 12.495 1.206 8.952 10 HA SER 3 HA SER 3 12.953 -1.697 9.031 11 HB2 SER 3 1HB SER 3 11.321 -0.391 10.641 12 HB3 SER 3 2HB SER 3 10.222 -0.493 9.266 13 HG SER 3 HG SER 3 11.184 -2.496 10.931 14 H GLY 4 H GLY 4 10.653 0.566 7.494 15 HA2 GLY 4 1HA GLY 4 10.838 -1.100 5.058 16 HA3 GLY 4 2HA GLY 4 9.343 -0.349 5.594 17 H SER 5 H SER 5 9.414 0.473 3.336 18 HA SER 5 HA SER 5 10.942 2.988 3.241 19 HB2 SER 5 1HB SER 5 10.402 1.091 0.945 20 HB3 SER 5 2HB SER 5 11.115 2.695 0.774 21 HG SER 5 HG SER 5 12.208 0.356 1.833 22 H SER 6 H SER 6 9.366 4.416 3.729 23 HA SER 6 HA SER 6 6.728 4.166 2.538 24 HB2 SER 6 1HB SER 6 7.305 4.934 4.971 25 HB3 SER 6 2HB SER 6 7.592 6.502 4.215 26 HG SER 6 HG SER 6 5.358 5.886 5.029 27 H GLY 7 H GLY 7 6.084 5.192 0.759 28 HA2 GLY 7 1HA GLY 7 6.692 7.784 -0.008 29 HA3 GLY 7 2HA GLY 7 7.898 6.759 -0.772 30 H TRP 8 H TRP 8 4.378 7.047 -0.349 31 HA TRP 8 HA TRP 8 2.651 6.359 -1.691 32 HB2 TRP 8 1HB TRP 8 4.512 7.692 -3.666 33 HB3 TRP 8 2HB TRP 8 2.841 7.268 -4.025 34 HD1 TRP 8 HD1 TRP 8 4.629 10.216 -3.305 35 HE1 TRP 8 HE1 TRP 8 3.232 11.970 -2.041 36 HE3 TRP 8 HE3 TRP 8 0.841 7.203 -1.660 37 HZ2 TRP 8 HZ2 TRP 8 0.840 12.063 -0.544 38 HZ3 TRP 8 HZ3 TRP 8 -0.963 8.203 -0.317 39 HH2 TRP 8 HH2 TRP 8 -0.961 10.583 0.228 40 H THR 9 H THR 9 4.480 4.267 -1.203 41 HA THR 9 HA THR 9 4.036 2.670 -3.617 42 HB THR 9 HB THR 9 6.275 1.606 -3.361 43 HG1 THR 9 HG1 THR 9 6.916 3.841 -1.724 44 HG21 THR 9 3HG2 THR 9 7.555 3.778 -4.099 45 HG22 THR 9 1HG2 THR 9 5.938 4.480 -4.090 46 HG23 THR 9 2HG2 THR 9 6.291 3.093 -5.120 47 H CYS 10 H CYS 10 2.616 1.220 -2.868 48 HA CYS 10 HA CYS 10 2.261 0.352 -0.275 49 HB2 CYS 10 1HB CYS 10 1.619 -0.843 -2.943 50 HB3 CYS 10 2HB CYS 10 1.353 -1.798 -1.488 51 H ASN 11 H ASN 11 2.841 -1.556 0.848 52 HA ASN 11 HA ASN 11 5.155 -3.023 -0.200 53 HB2 ASN 11 1HB ASN 11 5.003 -1.817 2.573 54 HB3 ASN 11 2HB ASN 11 6.296 -2.852 1.974 55 HD21 ASN 11 1HD2 ASN 11 5.741 0.164 2.744 56 HD22 ASN 11 2HD2 ASN 11 6.690 1.004 1.569 57 H LYS 12 H LYS 12 5.260 -5.153 0.384 58 HA LYS 12 HA LYS 12 3.126 -6.690 0.809 59 HB2 LYS 12 1HB LYS 12 4.625 -8.337 1.994 60 HB3 LYS 12 2HB LYS 12 5.232 -7.740 0.455 61 HG2 LYS 12 1HG LYS 12 6.411 -5.970 2.039 62 HG3 LYS 12 2HG LYS 12 6.240 -7.284 3.203 63 HD2 LYS 12 1HD LYS 12 7.600 -8.714 1.980 64 HD3 LYS 12 2HD LYS 12 7.356 -7.820 0.478 65 HE2 LYS 12 1HE LYS 12 9.475 -7.141 0.999 66 HE3 LYS 12 2HE LYS 12 8.546 -5.897 1.834 67 HZ1 LYS 12 3HZ LYS 12 10.415 -7.596 2.938 68 HZ2 LYS 12 1HZ LYS 12 8.922 -8.158 3.503 69 HZ3 LYS 12 2HZ LYS 12 9.375 -6.550 3.767 70 H PHE 13 H PHE 13 5.019 -5.253 3.452 71 HA PHE 13 HA PHE 13 3.457 -6.287 5.553 72 HB2 PHE 13 1HB PHE 13 5.469 -4.112 5.269 73 HB3 PHE 13 2HB PHE 13 4.441 -4.083 6.698 74 HD1 PHE 13 HD2 PHE 13 4.189 -6.569 7.774 75 HD2 PHE 13 HD1 PHE 13 7.504 -5.108 5.541 76 HE1 PHE 13 HE2 PHE 13 5.644 -8.232 8.854 77 HE2 PHE 13 HE1 PHE 13 8.966 -6.770 6.616 78 HZ PHE 13 HZ PHE 13 8.037 -8.334 8.278 79 H ARG 14 H ARG 14 3.474 -3.007 4.150 80 HA ARG 14 HA ARG 14 1.433 -1.854 5.538 81 HB2 ARG 14 1HB ARG 14 2.232 -1.584 2.650 82 HB3 ARG 14 2HB ARG 14 0.917 -0.632 3.326 83 HG2 ARG 14 1HG ARG 14 2.391 0.414 4.893 84 HG3 ARG 14 2HG ARG 14 3.714 -0.659 4.433 85 HD2 ARG 14 1HD ARG 14 4.195 1.293 3.272 86 HD3 ARG 14 2HD ARG 14 3.372 0.305 2.065 87 HE ARG 14 HE ARG 14 1.630 1.803 2.062 88 HH11 ARG 14 1HH1 ARG 14 3.725 2.449 4.767 89 HH12 ARG 14 2HH1 ARG 14 2.959 3.951 5.169 90 HH21 ARG 14 1HH2 ARG 14 0.615 3.779 2.581 91 HH22 ARG 14 2HH2 ARG 14 1.190 4.705 3.925 92 H CYS 15 H CYS 15 1.099 -3.885 2.640 93 HA CYS 15 HA CYS 15 -1.489 -3.807 2.011 94 HB2 CYS 15 1HB CYS 15 -0.232 -6.491 2.553 95 HB3 CYS 15 2HB CYS 15 -1.384 -6.061 1.293 96 H GLY 16 H GLY 16 -3.135 -3.428 3.368 97 HA2 GLY 16 1HA GLY 16 -4.865 -4.417 4.698 98 HA3 GLY 16 2HA GLY 16 -3.651 -5.444 5.446 99 H GLU 17 H GLU 17 -3.830 -1.921 4.959 100 HA GLU 17 HA GLU 17 -3.344 -1.607 7.843 101 HB2 GLU 17 1HB GLU 17 -2.440 0.601 7.310 102 HB3 GLU 17 2HB GLU 17 -1.603 -0.655 6.406 103 HG2 GLU 17 1HG GLU 17 -2.927 -0.117 4.427 104 HG3 GLU 17 2HG GLU 17 -3.767 1.140 5.332 105 H LYS 18 H LYS 18 -4.174 0.685 8.584 106 HA LYS 18 HA LYS 18 -6.986 0.569 8.570 107 HB2 LYS 18 1HB LYS 18 -4.966 2.548 9.548 108 HB3 LYS 18 2HB LYS 18 -6.665 3.001 9.519 109 HG2 LYS 18 1HG LYS 18 -7.245 1.455 11.127 110 HG3 LYS 18 2HG LYS 18 -5.834 0.442 10.811 111 HD2 LYS 18 1HD LYS 18 -5.442 1.505 12.892 112 HD3 LYS 18 2HD LYS 18 -4.427 2.337 11.712 113 HE2 LYS 18 1HE LYS 18 -7.162 3.388 12.245 114 HE3 LYS 18 2HE LYS 18 -5.901 3.673 13.442 115 HZ1 LYS 18 3HZ LYS 18 -5.531 4.325 10.579 116 HZ2 LYS 18 1HZ LYS 18 -4.619 4.859 11.900 117 HZ3 LYS 18 2HZ LYS 18 -6.195 5.429 11.676 118 H ARG 19 H ARG 19 -8.291 2.668 8.076 119 HA ARG 19 HA ARG 19 -8.091 3.088 5.244 120 HB2 ARG 19 1HB ARG 19 -10.166 4.243 5.422 121 HB3 ARG 19 2HB ARG 19 -10.249 2.880 6.530 122 HG2 ARG 19 1HG ARG 19 -9.851 4.315 8.415 123 HG3 ARG 19 2HG ARG 19 -9.577 5.696 7.350 124 HD2 ARG 19 1HD ARG 19 -11.757 6.068 7.929 125 HD3 ARG 19 2HD ARG 19 -11.987 5.077 6.487 126 HE ARG 19 HE ARG 19 -11.929 3.257 8.488 127 HH11 ARG 19 1HH1 ARG 19 -13.745 6.180 7.958 128 HH12 ARG 19 2HH1 ARG 19 -15.132 5.632 8.839 129 HH21 ARG 19 1HH2 ARG 19 -13.751 2.525 9.650 130 HH22 ARG 19 2HH2 ARG 19 -15.135 3.554 9.801 131 H LEU 20 H LEU 20 -7.734 5.039 4.159 132 HA LEU 20 HA LEU 20 -6.291 7.060 5.741 133 HB2 LEU 20 1HB LEU 20 -5.935 6.052 2.945 134 HB3 LEU 20 2HB LEU 20 -5.337 7.643 3.409 135 HG LEU 20 HG LEU 20 -3.549 6.013 3.481 136 HD11 LEU 20 1HD1 LEU 20 -4.380 6.753 6.281 137 HD12 LEU 20 2HD1 LEU 20 -3.607 7.852 5.140 138 HD13 LEU 20 3HD1 LEU 20 -2.745 6.422 5.708 139 HD21 LEU 20 3HD2 LEU 20 -4.752 3.978 3.823 140 HD22 LEU 20 1HD2 LEU 20 -5.358 4.534 5.383 141 HD23 LEU 20 2HD2 LEU 20 -3.642 4.183 5.179 142 H THR 21 H THR 21 -7.368 8.886 6.025 143 HA THR 21 HA THR 21 -9.743 9.556 4.666 144 HB THR 21 HB THR 21 -7.958 11.456 6.196 145 HG1 THR 21 HG1 THR 21 -8.828 9.338 7.202 146 HG21 THR 21 3HG2 THR 21 -10.292 12.424 6.732 147 HG22 THR 21 1HG2 THR 21 -10.831 11.505 5.328 148 HG23 THR 21 2HG2 THR 21 -9.594 12.749 5.146 149 H ARG 22 H ARG 22 -6.548 11.148 4.535 150 HA ARG 22 HA ARG 22 -7.154 11.921 1.760 151 HB2 ARG 22 1HB ARG 22 -7.415 13.844 3.334 152 HB3 ARG 22 2HB ARG 22 -5.721 13.662 3.772 153 HG2 ARG 22 1HG ARG 22 -5.561 15.307 2.205 154 HG3 ARG 22 2HG ARG 22 -5.363 13.885 1.179 155 HD2 ARG 22 1HD ARG 22 -7.512 14.051 0.319 156 HD3 ARG 22 2HD ARG 22 -8.086 15.020 1.675 157 HE ARG 22 HE ARG 22 -6.110 16.460 0.297 158 HH11 ARG 22 1HH1 ARG 22 -9.370 15.312 -0.124 159 HH12 ARG 22 2HH1 ARG 22 -9.821 16.595 -1.200 160 HH21 ARG 22 1HH2 ARG 22 -6.692 18.152 -1.118 161 HH22 ARG 22 2HH2 ARG 22 -8.296 18.208 -1.765 162 H SER 23 H SER 23 -5.800 10.769 0.547 163 HA SER 23 HA SER 23 -2.989 11.131 0.731 164 HB2 SER 23 1HB SER 23 -3.685 9.323 2.539 165 HB3 SER 23 2HB SER 23 -3.706 8.256 1.136 166 HG SER 23 HG SER 23 -1.641 8.139 1.600 167 H LEU 24 H LEU 24 -2.135 10.882 -1.239 168 HA LEU 24 HA LEU 24 -3.457 10.637 -3.549 169 HB2 LEU 24 1HB LEU 24 -0.764 9.387 -3.028 170 HB3 LEU 24 2HB LEU 24 -1.411 9.818 -4.609 171 HG LEU 24 HG LEU 24 -0.767 11.780 -2.410 172 HD11 LEU 24 1HD1 LEU 24 1.075 10.419 -3.815 173 HD12 LEU 24 2HD1 LEU 24 1.292 12.083 -3.275 174 HD13 LEU 24 3HD1 LEU 24 0.767 11.753 -4.926 175 HD21 LEU 24 3HD2 LEU 24 -1.236 13.486 -3.968 176 HD22 LEU 24 1HD2 LEU 24 -2.590 12.361 -4.072 177 HD23 LEU 24 2HD2 LEU 24 -1.332 12.345 -5.309 178 H CYS 25 H CYS 25 -2.120 7.856 -1.779 179 HA CYS 25 HA CYS 25 -4.121 6.159 -3.096 180 HB2 CYS 25 1HB CYS 25 -2.582 4.496 -3.681 181 HB3 CYS 25 2HB CYS 25 -1.746 5.987 -4.101 182 H ALA 26 H ALA 26 -4.021 3.875 -1.970 183 HA ALA 26 HA ALA 26 -3.392 3.992 0.853 184 HB1 ALA 26 3HB ALA 26 -6.021 4.638 -0.067 185 HB2 ALA 26 1HB ALA 26 -6.073 3.128 0.846 186 HB3 ALA 26 2HB ALA 26 -5.401 4.583 1.583 187 H CYS 27 H CYS 27 -2.677 2.059 1.456 188 HA CYS 27 HA CYS 27 -3.139 -0.232 -0.280 189 HB2 CYS 27 1HB CYS 27 -1.399 -0.074 2.186 190 HB3 CYS 27 2HB CYS 27 -1.352 -1.304 0.928 191 H SER 28 H SER 28 -5.434 0.558 1.056 192 HA SER 28 HA SER 28 -5.849 -1.733 2.851 193 HB2 SER 28 1HB SER 28 -5.748 0.104 4.358 194 HB3 SER 28 2HB SER 28 -6.713 1.126 3.292 195 HG SER 28 HG SER 28 -8.491 0.211 4.004 196 H ASP 29 H ASP 29 -8.022 -2.531 2.924 197 HA ASP 29 HA ASP 29 -9.248 -2.948 0.526 198 HB2 ASP 29 1HB ASP 29 -10.677 -2.770 3.188 199 HB3 ASP 29 2HB ASP 29 -11.237 -3.639 1.762 200 H ASP 30 H ASP 30 -9.852 -0.300 2.780 201 HA ASP 30 HA ASP 30 -12.113 0.845 1.776 202 HB2 ASP 30 1HB ASP 30 -11.140 1.867 3.669 203 HB3 ASP 30 2HB ASP 30 -9.598 2.107 2.850 204 H CYS 31 H CYS 31 -8.865 1.006 0.420 205 HA CYS 31 HA CYS 31 -9.401 2.932 -1.570 206 HB2 CYS 31 1HB CYS 31 -7.274 2.502 -2.357 207 HB3 CYS 31 2HB CYS 31 -7.138 1.908 -0.705 208 H LYS 32 H LYS 32 -9.565 -0.603 -1.574 209 HA LYS 32 HA LYS 32 -10.070 -1.024 -4.274 210 HB2 LYS 32 1HB LYS 32 -10.809 -2.518 -1.782 211 HB3 LYS 32 2HB LYS 32 -11.427 -3.054 -3.339 212 HG2 LYS 32 1HG LYS 32 -8.933 -2.951 -4.064 213 HG3 LYS 32 2HG LYS 32 -8.620 -3.010 -2.328 214 HD2 LYS 32 1HD LYS 32 -9.518 -5.131 -2.107 215 HD3 LYS 32 2HD LYS 32 -10.494 -4.981 -3.571 216 HE2 LYS 32 1HE LYS 32 -8.860 -6.364 -4.354 217 HE3 LYS 32 2HE LYS 32 -8.108 -4.808 -4.702 218 HZ1 LYS 32 3HZ LYS 32 -6.953 -6.793 -3.304 219 HZ2 LYS 32 1HZ LYS 32 -7.562 -5.824 -2.059 220 HZ3 LYS 32 2HZ LYS 32 -6.507 -5.165 -3.204 221 H ASP 33 H ASP 33 -12.368 -0.416 -1.635 222 HA ASP 33 HA ASP 33 -14.675 -0.525 -3.294 223 HB2 ASP 33 1HB ASP 33 -14.940 -0.919 -0.943 224 HB3 ASP 33 2HB ASP 33 -14.212 0.634 -0.543 225 H GLN 34 H GLN 34 -13.101 2.251 -1.692 226 HA GLN 34 HA GLN 34 -14.576 4.224 -3.028 227 HB2 GLN 34 1HB GLN 34 -11.917 4.239 -1.627 228 HB3 GLN 34 2HB GLN 34 -12.531 5.684 -2.419 229 HG2 GLN 34 1HG GLN 34 -14.619 5.392 -1.016 230 HG3 GLN 34 2HG GLN 34 -13.709 4.196 -0.095 231 HE21 GLN 34 1HE2 GLN 34 -14.527 6.095 1.417 232 HE22 GLN 34 2HE2 GLN 34 -13.312 7.272 1.769 233 H GLY 35 H GLY 35 -11.187 3.253 -3.619 234 HA2 GLY 35 1HA GLY 35 -10.586 2.694 -5.949 235 HA3 GLY 35 2HA GLY 35 -11.588 4.052 -6.437 236 H ASP 36 H ASP 36 -9.180 3.814 -3.840 237 HA ASP 36 HA ASP 36 -7.526 5.774 -5.277 238 HB2 ASP 36 1HB ASP 36 -8.595 5.958 -2.476 239 HB3 ASP 36 2HB ASP 36 -7.079 6.746 -2.904 240 H CYS 37 H CYS 37 -6.905 3.172 -5.411 241 HA CYS 37 HA CYS 37 -5.073 2.463 -3.276 242 HB2 CYS 37 1HB CYS 37 -5.474 1.009 -5.891 243 HB3 CYS 37 2HB CYS 37 -4.828 0.364 -4.384 244 H CYS 38 H CYS 38 -2.838 1.776 -3.814 245 HA CYS 38 HA CYS 38 -1.500 3.874 -5.241 246 HB2 CYS 38 1HB CYS 38 -0.226 1.370 -4.143 247 HB3 CYS 38 2HB CYS 38 0.524 2.940 -4.409 248 H ILE 39 H ILE 39 -0.499 3.808 -7.191 249 HA ILE 39 HA ILE 39 -1.372 2.223 -9.233 250 HB ILE 39 HB ILE 39 -0.083 4.218 -9.674 251 HG12 ILE 39 1HG1 ILE 39 1.573 1.956 -10.770 252 HG13 ILE 39 2HG1 ILE 39 -0.093 2.202 -11.282 253 HG21 ILE 39 1HG2 ILE 39 1.960 4.667 -8.859 254 HG22 ILE 39 2HG2 ILE 39 1.595 3.376 -7.716 255 HG23 ILE 39 3HG2 ILE 39 2.549 3.032 -9.160 256 HD11 ILE 39 3HD1 ILE 39 0.782 3.499 -12.861 257 HD12 ILE 39 1HD1 ILE 39 0.984 4.695 -11.580 258 HD13 ILE 39 2HD1 ILE 39 2.326 3.638 -12.020 259 H ASN 40 H ASN 40 1.168 1.518 -6.928 260 HA ASN 40 HA ASN 40 1.613 -1.075 -8.251 261 HB2 ASN 40 1HB ASN 40 3.791 -1.145 -7.205 262 HB3 ASN 40 2HB ASN 40 3.614 0.398 -8.035 263 HD21 ASN 40 1HD2 ASN 40 5.477 -0.069 -6.019 264 HD22 ASN 40 2HD2 ASN 40 5.070 0.910 -4.655 265 H TYR 41 H TYR 41 -0.652 -0.819 -6.715 266 HA TYR 41 HA TYR 41 -0.230 -1.619 -4.009 267 HB2 TYR 41 1HB TYR 41 -2.271 -0.470 -4.584 268 HB3 TYR 41 2HB TYR 41 -2.683 -1.698 -5.774 269 HD1 TYR 41 HD2 TYR 41 -3.353 -3.974 -5.012 270 HD2 TYR 41 HD1 TYR 41 -2.783 -0.763 -2.278 271 HE1 TYR 41 HE2 TYR 41 -4.611 -5.215 -3.301 272 HE2 TYR 41 HE1 TYR 41 -4.039 -1.996 -0.560 273 HH TYR 41 HH TYR 41 -6.036 -4.155 -0.936 274 H SER 42 H SER 42 -1.549 -3.376 -6.821 275 HA SER 42 HA SER 42 -1.423 -5.907 -5.519 276 HB2 SER 42 1HB SER 42 -2.257 -6.818 -7.524 277 HB3 SER 42 2HB SER 42 -2.939 -5.193 -7.480 278 HG SER 42 HG SER 42 -2.110 -5.279 -9.463 279 H SER 43 H SER 43 0.612 -4.251 -7.891 280 HA SER 43 HA SER 43 2.364 -6.264 -8.565 281 HB2 SER 43 1HB SER 43 2.366 -3.977 -9.546 282 HB3 SER 43 2HB SER 43 3.117 -3.374 -8.070 283 HG SER 43 HG SER 43 4.930 -4.567 -8.513 284 H VAL 44 H VAL 44 2.359 -4.230 -5.683 285 HA VAL 44 HA VAL 44 4.763 -5.513 -4.660 286 HB VAL 44 HB VAL 44 2.998 -3.388 -3.434 287 HG11 VAL 44 1HG1 VAL 44 5.149 -5.009 -2.334 288 HG12 VAL 44 2HG1 VAL 44 5.458 -3.277 -2.198 289 HG13 VAL 44 3HG1 VAL 44 3.985 -3.968 -1.516 290 HG21 VAL 44 3HG2 VAL 44 4.978 -1.929 -3.923 291 HG22 VAL 44 1HG2 VAL 44 5.640 -3.256 -4.875 292 HG23 VAL 44 2HG2 VAL 44 4.116 -2.507 -5.349 293 H CYS 45 H CYS 45 1.374 -5.106 -3.635 294 HA CYS 45 HA CYS 45 1.592 -6.946 -1.472 295 HB2 CYS 45 1HB CYS 45 -0.800 -5.773 -2.898 296 HB3 CYS 45 2HB CYS 45 -0.928 -6.816 -1.486 297 H GLN 46 H GLN 46 -0.281 -7.190 -4.503 298 HA GLN 46 HA GLN 46 -0.607 -10.016 -4.217 299 HB2 GLN 46 1HB GLN 46 -1.099 -8.267 -6.634 300 HB3 GLN 46 2HB GLN 46 -1.688 -9.909 -6.408 301 HG2 GLN 46 1HG GLN 46 -2.429 -7.557 -4.680 302 HG3 GLN 46 2HG GLN 46 -3.405 -8.191 -6.004 303 HE21 GLN 46 1HE2 GLN 46 -3.410 -10.802 -5.739 304 HE22 GLN 46 2HE2 GLN 46 -4.028 -11.300 -4.204 305 H GLY 47 H GLY 47 1.671 -10.582 -4.001 306 HA2 GLY 47 1HA GLY 47 2.779 -11.325 -6.575 307 HA3 GLY 47 2HA GLY 47 3.761 -10.202 -5.646 308 H GLU 48 H GLU 48 5.111 -12.316 -6.108 309 HA GLU 48 HA GLU 48 4.879 -13.980 -3.689 310 HB2 GLU 48 1HB GLU 48 4.308 -15.093 -5.949 311 HB3 GLU 48 2HB GLU 48 6.035 -15.011 -6.266 312 HG2 GLU 48 1HG GLU 48 5.854 -17.110 -5.389 313 HG3 GLU 48 2HG GLU 48 6.225 -16.178 -3.940 314 H LYS 49 H LYS 49 6.420 -13.081 -2.431 315 HA LYS 49 HA LYS 49 9.033 -12.454 -3.568 316 HB2 LYS 49 1HB LYS 49 9.503 -11.364 -1.454 317 HB3 LYS 49 2HB LYS 49 7.946 -10.821 -2.065 318 HG2 LYS 49 1HG LYS 49 6.784 -12.245 -0.514 319 HG3 LYS 49 2HG LYS 49 8.306 -12.951 0.033 320 HD2 LYS 49 1HD LYS 49 7.941 -9.996 0.201 321 HD3 LYS 49 2HD LYS 49 7.145 -11.025 1.393 322 HE2 LYS 49 1HE LYS 49 10.094 -11.070 0.761 323 HE3 LYS 49 2HE LYS 49 9.368 -10.222 2.126 324 HZ1 LYS 49 3HZ LYS 49 10.224 -12.829 2.084 325 HZ2 LYS 49 1HZ LYS 49 8.537 -12.942 2.029 326 HZ3 LYS 49 2HZ LYS 49 9.287 -12.096 3.287 327 H SER 50 H SER 50 8.451 -15.167 -3.563 328 HA SER 50 HA SER 50 9.359 -17.179 -3.010 329 HB2 SER 50 1HB SER 50 11.444 -15.272 -2.000 330 HB3 SER 50 2HB SER 50 11.601 -16.998 -1.670 331 HG SER 50 HG SER 50 12.341 -17.168 -3.617 332 H SER 51 H SER 51 7.290 -16.291 -1.405 333 HA SER 51 HA SER 51 7.941 -16.554 1.372 334 HB2 SER 51 1HB SER 51 5.912 -15.341 0.231 335 HB3 SER 51 2HB SER 51 5.160 -16.935 0.313 336 HG SER 51 HG SER 51 4.634 -16.012 2.207 337 H GLY 52 H GLY 52 8.895 -18.506 1.793 338 HA2 GLY 52 1HA GLY 52 7.450 -20.694 2.496 339 HA3 GLY 52 2HA GLY 52 7.785 -20.973 0.793 340 HA PRO 53 HA PRO 53 11.471 -21.955 3.745 341 HB2 PRO 53 1HB PRO 53 10.924 -24.514 4.464 342 HB3 PRO 53 2HB PRO 53 10.423 -23.118 5.426 343 HG2 PRO 53 1HG PRO 53 8.832 -24.749 3.484 344 HG3 PRO 53 2HG PRO 53 8.360 -24.132 5.078 345 HD2 PRO 53 1HD PRO 53 7.611 -22.930 2.770 346 HD3 PRO 53 2HD PRO 53 7.908 -22.022 4.266 347 H SER 54 H SER 54 13.017 -23.860 3.418 348 HA SER 54 HA SER 54 13.247 -24.316 0.580 349 HB2 SER 54 1HB SER 54 15.426 -25.280 1.113 350 HB3 SER 54 2HB SER 54 15.221 -23.751 1.968 351 HG SER 54 HG SER 54 14.280 -25.639 3.544 352 H SER 55 H SER 55 12.509 -26.028 -0.473 353 HA SER 55 HA SER 55 10.899 -27.983 0.358 354 HB2 SER 55 1HB SER 55 11.488 -29.281 -1.549 355 HB3 SER 55 2HB SER 55 11.768 -27.600 -2.003 356 HG SER 55 HG SER 55 14.011 -28.425 -0.955 357 H GLY 56 H GLY 56 10.934 -29.833 1.512 358 HA2 GLY 56 1HA GLY 56 13.541 -30.945 2.297 359 HA3 GLY 56 2HA GLY 56 12.382 -30.513 3.546 Start of MODEL 15 1 H1 GLY 1 H GLY 1 11.012 6.583 -13.954 2 HA2 GLY 1 1HA GLY 1 12.107 4.925 -12.062 3 HA3 GLY 1 2HA GLY 1 13.101 4.678 -13.490 4 H SER 2 H SER 2 12.398 6.721 -10.837 5 HA SER 2 HA SER 2 14.678 8.401 -11.531 6 HB2 SER 2 1HB SER 2 12.007 9.595 -10.753 7 HB3 SER 2 2HB SER 2 13.490 10.481 -11.107 8 HG SER 2 HG SER 2 12.818 10.472 -13.089 9 H SER 3 H SER 3 15.461 9.669 -9.698 10 HA SER 3 HA SER 3 15.892 8.240 -7.421 11 HB2 SER 3 1HB SER 3 15.968 11.164 -8.023 12 HB3 SER 3 2HB SER 3 16.137 10.653 -6.344 13 HG SER 3 HG SER 3 18.082 10.820 -7.892 14 H GLY 4 H GLY 4 13.296 10.599 -7.960 15 HA2 GLY 4 1HA GLY 4 12.194 10.422 -5.356 16 HA3 GLY 4 2HA GLY 4 11.374 11.038 -6.781 17 H SER 5 H SER 5 11.663 8.449 -4.585 18 HA SER 5 HA SER 5 10.075 6.659 -6.275 19 HB2 SER 5 1HB SER 5 12.186 6.008 -4.809 20 HB3 SER 5 2HB SER 5 10.975 5.879 -3.534 21 HG SER 5 HG SER 5 11.106 4.458 -5.978 22 H SER 6 H SER 6 10.043 8.025 -2.987 23 HA SER 6 HA SER 6 7.584 7.096 -2.145 24 HB2 SER 6 1HB SER 6 8.815 9.795 -1.535 25 HB3 SER 6 2HB SER 6 7.548 9.006 -0.596 26 HG SER 6 HG SER 6 10.270 8.412 -0.780 27 H GLY 7 H GLY 7 5.939 7.106 -3.615 28 HA2 GLY 7 1HA GLY 7 4.470 9.524 -3.934 29 HA3 GLY 7 2HA GLY 7 5.273 9.082 -5.432 30 H TRP 8 H TRP 8 4.455 7.460 -6.673 31 HA TRP 8 HA TRP 8 1.881 6.362 -5.795 32 HB2 TRP 8 1HB TRP 8 3.073 6.483 -8.575 33 HB3 TRP 8 2HB TRP 8 1.451 5.929 -8.167 34 HD1 TRP 8 HD1 TRP 8 3.554 9.147 -8.310 35 HE1 TRP 8 HE1 TRP 8 1.951 11.156 -8.443 36 HE3 TRP 8 HE3 TRP 8 -0.883 6.691 -7.664 37 HZ2 TRP 8 HZ2 TRP 8 -0.827 11.637 -8.294 38 HZ3 TRP 8 HZ3 TRP 8 -2.967 7.998 -7.672 39 HH2 TRP 8 HH2 TRP 8 -2.937 10.420 -7.980 40 H THR 9 H THR 9 4.160 5.199 -4.689 41 HA THR 9 HA THR 9 3.983 2.508 -5.841 42 HB THR 9 HB THR 9 6.398 2.139 -5.428 43 HG1 THR 9 HG1 THR 9 6.239 4.389 -4.113 44 HG21 THR 9 3HG2 THR 9 7.111 3.956 -7.260 45 HG22 THR 9 1HG2 THR 9 5.359 4.067 -7.425 46 HG23 THR 9 2HG2 THR 9 6.171 2.519 -7.660 47 H CYS 10 H CYS 10 3.234 1.192 -4.326 48 HA CYS 10 HA CYS 10 3.427 1.895 -1.525 49 HB2 CYS 10 1HB CYS 10 2.005 -0.250 -3.074 50 HB3 CYS 10 2HB CYS 10 2.155 -0.368 -1.324 51 H ASN 11 H ASN 11 4.070 0.227 0.083 52 HA ASN 11 HA ASN 11 6.298 -1.428 -0.906 53 HB2 ASN 11 1HB ASN 11 6.224 0.171 1.665 54 HB3 ASN 11 2HB ASN 11 7.529 -0.899 1.162 55 HD21 ASN 11 1HD2 ASN 11 8.359 1.483 1.702 56 HD22 ASN 11 2HD2 ASN 11 8.649 2.436 0.290 57 H LYS 12 H LYS 12 6.891 -3.209 0.578 58 HA LYS 12 HA LYS 12 4.777 -4.892 1.124 59 HB2 LYS 12 1HB LYS 12 7.496 -4.852 2.448 60 HB3 LYS 12 2HB LYS 12 6.372 -6.202 2.492 61 HG2 LYS 12 1HG LYS 12 7.342 -5.091 -0.112 62 HG3 LYS 12 2HG LYS 12 8.300 -6.259 0.800 63 HD2 LYS 12 1HD LYS 12 6.028 -7.585 0.854 64 HD3 LYS 12 2HD LYS 12 5.675 -6.606 -0.571 65 HE2 LYS 12 1HE LYS 12 6.646 -8.505 -1.480 66 HE3 LYS 12 2HE LYS 12 8.000 -7.381 -1.389 67 HZ1 LYS 12 3HZ LYS 12 7.495 -9.208 0.856 68 HZ2 LYS 12 1HZ LYS 12 8.952 -8.527 0.335 69 HZ3 LYS 12 2HZ LYS 12 8.258 -9.801 -0.531 70 H PHE 13 H PHE 13 6.651 -3.024 3.518 71 HA PHE 13 HA PHE 13 5.147 -3.679 5.759 72 HB2 PHE 13 1HB PHE 13 6.864 -1.330 5.041 73 HB3 PHE 13 2HB PHE 13 5.942 -1.306 6.541 74 HD1 PHE 13 HD1 PHE 13 8.320 -3.455 4.645 75 HD2 PHE 13 HD2 PHE 13 6.872 -2.207 8.448 76 HE1 PHE 13 HE1 PHE 13 10.090 -4.764 5.745 77 HE2 PHE 13 HE2 PHE 13 8.638 -3.515 9.553 78 HZ PHE 13 HZ PHE 13 10.251 -4.795 8.202 79 H ARG 14 H ARG 14 4.758 -0.928 3.543 80 HA ARG 14 HA ARG 14 2.725 0.448 4.736 81 HB2 ARG 14 1HB ARG 14 2.983 -0.156 1.784 82 HB3 ARG 14 2HB ARG 14 2.012 1.136 2.477 83 HG2 ARG 14 1HG ARG 14 4.927 1.008 3.089 84 HG3 ARG 14 2HG ARG 14 4.387 1.629 1.528 85 HD2 ARG 14 1HD ARG 14 3.285 2.640 4.135 86 HD3 ARG 14 2HD ARG 14 4.730 3.324 3.395 87 HE ARG 14 HE ARG 14 2.417 3.204 1.669 88 HH11 ARG 14 1HH1 ARG 14 4.230 5.087 3.967 89 HH12 ARG 14 2HH1 ARG 14 3.594 6.604 3.423 90 HH21 ARG 14 1HH2 ARG 14 1.572 5.195 0.944 91 HH22 ARG 14 2HH2 ARG 14 2.082 6.663 1.703 92 H CYS 15 H CYS 15 2.287 -2.244 2.436 93 HA CYS 15 HA CYS 15 -0.408 -2.474 2.344 94 HB2 CYS 15 1HB CYS 15 1.449 -4.832 2.724 95 HB3 CYS 15 2HB CYS 15 -0.134 -4.852 1.952 96 H GLY 16 H GLY 16 -1.929 -2.477 3.853 97 HA2 GLY 16 1HA GLY 16 -3.080 -3.544 5.643 98 HA3 GLY 16 2HA GLY 16 -1.535 -4.118 6.255 99 H GLU 17 H GLU 17 -2.432 -0.828 5.298 100 HA GLU 17 HA GLU 17 -2.100 -0.005 8.106 101 HB2 GLU 17 1HB GLU 17 -1.002 2.047 7.335 102 HB3 GLU 17 2HB GLU 17 -0.105 0.617 6.844 103 HG2 GLU 17 1HG GLU 17 -0.970 0.794 4.599 104 HG3 GLU 17 2HG GLU 17 -1.989 2.154 5.071 105 H LYS 18 H LYS 18 -3.246 1.905 8.734 106 HA LYS 18 HA LYS 18 -5.402 2.726 6.916 107 HB2 LYS 18 1HB LYS 18 -5.744 1.917 9.810 108 HB3 LYS 18 2HB LYS 18 -6.991 2.675 8.829 109 HG2 LYS 18 1HG LYS 18 -6.803 0.728 7.258 110 HG3 LYS 18 2HG LYS 18 -5.762 -0.043 8.458 111 HD2 LYS 18 1HD LYS 18 -7.527 -0.036 10.082 112 HD3 LYS 18 2HD LYS 18 -8.557 0.936 9.029 113 HE2 LYS 18 1HE LYS 18 -7.551 -1.812 8.314 114 HE3 LYS 18 2HE LYS 18 -9.103 -1.513 9.095 115 HZ1 LYS 18 3HZ LYS 18 -8.735 -1.609 6.442 116 HZ2 LYS 18 1HZ LYS 18 -8.621 0.057 6.716 117 HZ3 LYS 18 2HZ LYS 18 -10.007 -0.786 7.195 118 H ARG 19 H ARG 19 -2.962 4.065 7.568 119 HA ARG 19 HA ARG 19 -4.077 6.570 8.492 120 HB2 ARG 19 1HB ARG 19 -2.100 4.994 10.077 121 HB3 ARG 19 2HB ARG 19 -1.924 6.744 10.031 122 HG2 ARG 19 1HG ARG 19 -4.143 7.032 10.930 123 HG3 ARG 19 2HG ARG 19 -4.425 5.292 10.869 124 HD2 ARG 19 1HD ARG 19 -2.857 4.875 12.574 125 HD3 ARG 19 2HD ARG 19 -2.159 6.488 12.436 126 HE ARG 19 HE ARG 19 -4.536 5.733 13.898 127 HH11 ARG 19 1HH1 ARG 19 -2.702 8.325 12.469 128 HH12 ARG 19 2HH1 ARG 19 -3.419 9.552 13.461 129 HH21 ARG 19 1HH2 ARG 19 -5.486 7.340 15.208 130 HH22 ARG 19 2HH2 ARG 19 -5.001 8.991 15.019 131 H LEU 20 H LEU 20 -3.332 8.122 7.213 132 HA LEU 20 HA LEU 20 -0.568 8.148 6.347 133 HB2 LEU 20 1HB LEU 20 -1.343 8.512 3.941 134 HB3 LEU 20 2HB LEU 20 -1.322 6.863 4.563 135 HG LEU 20 HG LEU 20 -3.308 7.544 3.128 136 HD11 LEU 20 1HD1 LEU 20 -4.115 5.694 4.038 137 HD12 LEU 20 2HD1 LEU 20 -4.736 6.643 5.387 138 HD13 LEU 20 3HD1 LEU 20 -3.123 5.936 5.477 139 HD21 LEU 20 3HD2 LEU 20 -5.124 8.698 4.343 140 HD22 LEU 20 1HD2 LEU 20 -3.724 9.732 4.056 141 HD23 LEU 20 2HD2 LEU 20 -3.995 9.040 5.656 142 H THR 21 H THR 21 -0.322 10.127 4.740 143 HA THR 21 HA THR 21 -2.007 12.338 5.707 144 HB THR 21 HB THR 21 0.099 12.395 6.960 145 HG1 THR 21 HG1 THR 21 -0.046 14.442 4.978 146 HG21 THR 21 3HG2 THR 21 1.619 13.000 4.462 147 HG22 THR 21 1HG2 THR 21 1.345 11.318 4.915 148 HG23 THR 21 2HG2 THR 21 2.201 12.399 6.014 149 H ARG 22 H ARG 22 -2.992 13.222 4.022 150 HA ARG 22 HA ARG 22 -3.485 13.619 1.796 151 HB2 ARG 22 1HB ARG 22 -0.841 15.047 2.138 152 HB3 ARG 22 2HB ARG 22 -2.040 15.398 0.901 153 HG2 ARG 22 1HG ARG 22 -3.632 16.076 2.606 154 HG3 ARG 22 2HG ARG 22 -2.467 15.674 3.869 155 HD2 ARG 22 1HD ARG 22 -0.921 17.328 2.573 156 HD3 ARG 22 2HD ARG 22 -2.440 17.926 1.906 157 HE ARG 22 HE ARG 22 -1.488 18.224 4.621 158 HH11 ARG 22 1HH1 ARG 22 -4.209 18.372 2.456 159 HH12 ARG 22 2HH1 ARG 22 -5.138 19.413 3.484 160 HH21 ARG 22 1HH2 ARG 22 -2.700 19.595 5.984 161 HH22 ARG 22 2HH2 ARG 22 -4.278 20.109 5.490 162 H SER 23 H SER 23 -2.322 11.088 1.995 163 HA SER 23 HA SER 23 -0.179 10.817 0.109 164 HB2 SER 23 1HB SER 23 -0.813 9.246 2.082 165 HB3 SER 23 2HB SER 23 -1.970 8.554 0.946 166 HG SER 23 HG SER 23 0.140 8.600 -0.448 167 H LEU 24 H LEU 24 -0.312 10.689 -2.031 168 HA LEU 24 HA LEU 24 -2.562 11.196 -3.517 169 HB2 LEU 24 1HB LEU 24 -0.198 9.524 -4.357 170 HB3 LEU 24 2HB LEU 24 -1.352 10.296 -5.443 171 HG LEU 24 HG LEU 24 0.207 11.986 -3.538 172 HD11 LEU 24 1HD1 LEU 24 2.029 12.171 -5.126 173 HD12 LEU 24 2HD1 LEU 24 1.267 10.974 -6.173 174 HD13 LEU 24 3HD1 LEU 24 1.862 10.501 -4.581 175 HD21 LEU 24 3HD2 LEU 24 -1.412 12.306 -5.958 176 HD22 LEU 24 1HD2 LEU 24 0.090 13.232 -5.958 177 HD23 LEU 24 2HD2 LEU 24 -1.077 13.445 -4.653 178 H CYS 25 H CYS 25 -1.244 8.032 -2.614 179 HA CYS 25 HA CYS 25 -3.857 6.852 -3.261 180 HB2 CYS 25 1HB CYS 25 -2.710 4.828 -4.100 181 HB3 CYS 25 2HB CYS 25 -2.348 6.250 -5.073 182 H ALA 26 H ALA 26 -4.180 4.716 -2.188 183 HA ALA 26 HA ALA 26 -2.920 4.734 0.476 184 HB1 ALA 26 3HB ALA 26 -5.104 5.075 1.010 185 HB2 ALA 26 1HB ALA 26 -5.702 4.246 -0.427 186 HB3 ALA 26 2HB ALA 26 -5.113 3.312 0.950 187 H CYS 27 H CYS 27 -2.108 2.860 1.330 188 HA CYS 27 HA CYS 27 -1.853 0.615 -0.547 189 HB2 CYS 27 1HB CYS 27 -0.196 1.230 1.909 190 HB3 CYS 27 2HB CYS 27 0.123 -0.031 0.722 191 H SER 28 H SER 28 -4.265 0.861 0.849 192 HA SER 28 HA SER 28 -4.079 -1.348 2.791 193 HB2 SER 28 1HB SER 28 -6.121 -0.460 3.833 194 HB3 SER 28 2HB SER 28 -4.841 0.755 3.820 195 HG SER 28 HG SER 28 -6.558 0.726 1.636 196 H ASP 29 H ASP 29 -5.883 -2.840 2.840 197 HA ASP 29 HA ASP 29 -6.768 -3.497 0.166 198 HB2 ASP 29 1HB ASP 29 -7.921 -5.406 1.640 199 HB3 ASP 29 2HB ASP 29 -6.219 -5.463 1.192 200 H ASP 30 H ASP 30 -7.867 -1.094 1.226 201 HA ASP 30 HA ASP 30 -10.712 -1.842 1.279 202 HB2 ASP 30 1HB ASP 30 -10.073 -1.160 3.533 203 HB3 ASP 30 2HB ASP 30 -9.393 0.340 2.908 204 H CYS 31 H CYS 31 -8.271 0.552 0.444 205 HA CYS 31 HA CYS 31 -9.761 2.552 -0.685 206 HB2 CYS 31 1HB CYS 31 -7.841 3.006 -2.145 207 HB3 CYS 31 2HB CYS 31 -7.318 2.631 -0.505 208 H LYS 32 H LYS 32 -8.851 -0.536 -2.152 209 HA LYS 32 HA LYS 32 -9.578 -0.267 -4.741 210 HB2 LYS 32 1HB LYS 32 -10.156 -2.616 -4.771 211 HB3 LYS 32 2HB LYS 32 -8.784 -2.372 -3.698 212 HG2 LYS 32 1HG LYS 32 -10.298 -2.453 -1.767 213 HG3 LYS 32 2HG LYS 32 -11.652 -2.749 -2.859 214 HD2 LYS 32 1HD LYS 32 -11.131 -4.900 -2.259 215 HD3 LYS 32 2HD LYS 32 -10.115 -4.720 -3.691 216 HE2 LYS 32 1HE LYS 32 -8.182 -4.313 -2.364 217 HE3 LYS 32 2HE LYS 32 -9.146 -4.165 -0.895 218 HZ1 LYS 32 3HZ LYS 32 -9.770 -6.639 -1.844 219 HZ2 LYS 32 1HZ LYS 32 -8.690 -6.305 -0.585 220 HZ3 LYS 32 2HZ LYS 32 -8.113 -6.514 -2.163 221 H ASP 33 H ASP 33 -11.794 -0.661 -2.014 222 HA ASP 33 HA ASP 33 -14.168 -0.844 -3.521 223 HB2 ASP 33 1HB ASP 33 -13.577 -0.056 -0.678 224 HB3 ASP 33 2HB ASP 33 -15.217 0.013 -1.320 225 H GLN 34 H GLN 34 -12.529 1.927 -2.031 226 HA GLN 34 HA GLN 34 -14.479 3.815 -2.938 227 HB2 GLN 34 1HB GLN 34 -11.722 4.110 -1.756 228 HB3 GLN 34 2HB GLN 34 -12.692 5.491 -2.248 229 HG2 GLN 34 1HG GLN 34 -14.251 5.164 -0.576 230 HG3 GLN 34 2HG GLN 34 -13.821 3.467 -0.369 231 HE21 GLN 34 1HE2 GLN 34 -13.712 3.924 1.893 232 HE22 GLN 34 2HE2 GLN 34 -12.300 4.660 2.564 233 H GLY 35 H GLY 35 -11.025 3.436 -3.775 234 HA2 GLY 35 1HA GLY 35 -10.597 3.143 -6.232 235 HA3 GLY 35 2HA GLY 35 -11.688 4.503 -6.450 236 H ASP 36 H ASP 36 -9.138 4.074 -4.028 237 HA ASP 36 HA ASP 36 -7.614 6.232 -5.310 238 HB2 ASP 36 1HB ASP 36 -7.913 6.150 -2.321 239 HB3 ASP 36 2HB ASP 36 -7.414 7.492 -3.347 240 H CYS 37 H CYS 37 -7.064 3.504 -5.491 241 HA CYS 37 HA CYS 37 -4.980 2.909 -3.554 242 HB2 CYS 37 1HB CYS 37 -5.875 1.313 -5.962 243 HB3 CYS 37 2HB CYS 37 -4.827 0.747 -4.665 244 H CYS 38 H CYS 38 -2.831 2.208 -4.306 245 HA CYS 38 HA CYS 38 -1.659 4.184 -5.982 246 HB2 CYS 38 1HB CYS 38 -0.481 1.632 -4.862 247 HB3 CYS 38 2HB CYS 38 0.441 2.932 -5.610 248 H ILE 39 H ILE 39 -0.159 3.582 -7.805 249 HA ILE 39 HA ILE 39 -1.647 2.283 -9.844 250 HB ILE 39 HB ILE 39 -0.198 4.092 -10.460 251 HG12 ILE 39 1HG1 ILE 39 1.069 1.559 -11.516 252 HG13 ILE 39 2HG1 ILE 39 -0.501 2.155 -12.047 253 HG21 ILE 39 1HG2 ILE 39 1.619 2.836 -8.670 254 HG22 ILE 39 2HG2 ILE 39 2.399 2.984 -10.244 255 HG23 ILE 39 3HG2 ILE 39 1.748 4.414 -9.446 256 HD11 ILE 39 3HD1 ILE 39 0.714 4.307 -12.655 257 HD12 ILE 39 1HD1 ILE 39 2.201 3.378 -12.462 258 HD13 ILE 39 2HD1 ILE 39 1.007 2.891 -13.665 259 H ASN 40 H ASN 40 0.872 1.263 -7.667 260 HA ASN 40 HA ASN 40 0.801 -1.407 -8.908 261 HB2 ASN 40 1HB ASN 40 3.166 -1.674 -8.046 262 HB3 ASN 40 2HB ASN 40 2.972 -0.541 -9.380 263 HD21 ASN 40 1HD2 ASN 40 4.520 -0.986 -6.574 264 HD22 ASN 40 2HD2 ASN 40 4.757 0.654 -6.086 265 H TYR 41 H TYR 41 -0.972 -0.614 -6.910 266 HA TYR 41 HA TYR 41 -0.141 -1.187 -4.292 267 HB2 TYR 41 1HB TYR 41 -2.231 -0.054 -4.662 268 HB3 TYR 41 2HB TYR 41 -2.856 -1.405 -5.601 269 HD1 TYR 41 HD1 TYR 41 -1.417 -0.808 -2.197 270 HD2 TYR 41 HD2 TYR 41 -4.374 -2.771 -4.543 271 HE1 TYR 41 HE1 TYR 41 -2.389 -1.770 -0.154 272 HE2 TYR 41 HE2 TYR 41 -5.357 -3.738 -2.505 273 HH TYR 41 HH TYR 41 -4.160 -4.251 0.048 274 H SER 42 H SER 42 -1.955 -3.271 -6.551 275 HA SER 42 HA SER 42 -1.687 -5.595 -4.945 276 HB2 SER 42 1HB SER 42 -2.619 -5.028 -7.729 277 HB3 SER 42 2HB SER 42 -2.273 -6.698 -7.279 278 HG SER 42 HG SER 42 -3.978 -4.987 -5.794 279 H SER 43 H SER 43 0.111 -4.323 -7.701 280 HA SER 43 HA SER 43 1.700 -6.472 -8.350 281 HB2 SER 43 1HB SER 43 2.530 -3.561 -8.240 282 HB3 SER 43 2HB SER 43 3.370 -4.830 -9.131 283 HG SER 43 HG SER 43 1.533 -3.355 -10.097 284 H VAL 44 H VAL 44 2.148 -4.139 -5.730 285 HA VAL 44 HA VAL 44 4.548 -5.515 -4.821 286 HB VAL 44 HB VAL 44 3.142 -3.088 -3.699 287 HG11 VAL 44 1HG1 VAL 44 5.508 -2.861 -2.608 288 HG12 VAL 44 2HG1 VAL 44 4.278 -3.886 -1.863 289 HG13 VAL 44 3HG1 VAL 44 5.559 -4.610 -2.837 290 HG21 VAL 44 3HG2 VAL 44 4.151 -2.774 -5.936 291 HG22 VAL 44 1HG2 VAL 44 4.932 -1.806 -4.686 292 HG23 VAL 44 2HG2 VAL 44 5.706 -3.277 -5.275 293 H CYS 45 H CYS 45 1.362 -4.628 -3.490 294 HA CYS 45 HA CYS 45 1.651 -6.127 -1.110 295 HB2 CYS 45 1HB CYS 45 -0.796 -5.086 -2.546 296 HB3 CYS 45 2HB CYS 45 -0.857 -5.873 -0.972 297 H GLN 46 H GLN 46 -0.492 -6.784 -3.888 298 HA GLN 46 HA GLN 46 -0.694 -9.565 -3.108 299 HB2 GLN 46 1HB GLN 46 -1.903 -8.032 -5.415 300 HB3 GLN 46 2HB GLN 46 -2.226 -9.727 -5.071 301 HG2 GLN 46 1HG GLN 46 -2.963 -8.898 -2.753 302 HG3 GLN 46 2HG GLN 46 -3.023 -7.306 -3.506 303 HE21 GLN 46 1HE2 GLN 46 -4.963 -6.761 -4.159 304 HE22 GLN 46 2HE2 GLN 46 -6.181 -7.829 -4.759 305 H GLY 47 H GLY 47 1.486 -10.228 -3.417 306 HA2 GLY 47 1HA GLY 47 2.742 -10.006 -5.989 307 HA3 GLY 47 2HA GLY 47 3.327 -10.940 -4.620 308 H GLU 48 H GLU 48 3.173 -11.631 -7.482 309 HA GLU 48 HA GLU 48 1.088 -13.467 -7.951 310 HB2 GLU 48 1HB GLU 48 2.415 -12.573 -9.777 311 HB3 GLU 48 2HB GLU 48 3.867 -13.321 -9.129 312 HG2 GLU 48 1HG GLU 48 3.230 -15.440 -9.776 313 HG3 GLU 48 2HG GLU 48 1.521 -15.017 -9.844 314 H LYS 49 H LYS 49 0.690 -15.205 -6.758 315 HA LYS 49 HA LYS 49 2.711 -16.512 -5.205 316 HB2 LYS 49 1HB LYS 49 -0.082 -17.503 -5.783 317 HB3 LYS 49 2HB LYS 49 0.949 -17.950 -4.432 318 HG2 LYS 49 1HG LYS 49 0.243 -15.086 -4.748 319 HG3 LYS 49 2HG LYS 49 -1.007 -16.196 -4.182 320 HD2 LYS 49 1HD LYS 49 -0.091 -15.626 -2.173 321 HD3 LYS 49 2HD LYS 49 0.954 -16.990 -2.580 322 HE2 LYS 49 1HE LYS 49 2.328 -15.173 -1.832 323 HE3 LYS 49 2HE LYS 49 2.570 -15.380 -3.565 324 HZ1 LYS 49 3HZ LYS 49 2.149 -13.216 -3.712 325 HZ2 LYS 49 1HZ LYS 49 1.557 -13.123 -2.129 326 HZ3 LYS 49 2HZ LYS 49 0.529 -13.585 -3.391 327 H SER 50 H SER 50 0.696 -17.519 -7.967 328 HA SER 50 HA SER 50 2.313 -19.897 -8.344 329 HB2 SER 50 1HB SER 50 0.709 -20.539 -10.003 330 HB3 SER 50 2HB SER 50 -0.197 -19.854 -8.654 331 HG SER 50 HG SER 50 -1.043 -18.807 -10.329 332 H SER 51 H SER 51 4.225 -19.667 -9.296 333 HA SER 51 HA SER 51 4.463 -17.773 -11.539 334 HB2 SER 51 1HB SER 51 5.947 -17.279 -9.637 335 HB3 SER 51 2HB SER 51 6.640 -18.896 -9.757 336 HG SER 51 HG SER 51 7.198 -16.662 -11.201 337 H GLY 52 H GLY 52 5.331 -18.432 -13.479 338 HA2 GLY 52 1HA GLY 52 4.967 -21.136 -14.209 339 HA3 GLY 52 2HA GLY 52 5.734 -19.902 -15.197 340 HA PRO 53 HA PRO 53 8.818 -23.137 -13.617 341 HB2 PRO 53 1HB PRO 53 9.319 -24.341 -15.998 342 HB3 PRO 53 2HB PRO 53 8.050 -24.884 -14.896 343 HG2 PRO 53 1HG PRO 53 7.829 -23.171 -17.341 344 HG3 PRO 53 2HG PRO 53 6.787 -24.505 -16.811 345 HD2 PRO 53 1HD PRO 53 6.122 -21.905 -16.449 346 HD3 PRO 53 2HD PRO 53 5.641 -23.181 -15.313 347 H SER 54 H SER 54 10.992 -22.789 -13.731 348 HA SER 54 HA SER 54 12.213 -21.460 -15.971 349 HB2 SER 54 1HB SER 54 11.816 -20.017 -13.352 350 HB3 SER 54 2HB SER 54 13.101 -19.579 -14.479 351 HG SER 54 HG SER 54 11.328 -19.419 -16.075 352 H SER 55 H SER 55 14.590 -20.823 -15.255 353 HA SER 55 HA SER 55 16.059 -23.052 -14.865 354 HB2 SER 55 1HB SER 55 16.618 -20.203 -14.081 355 HB3 SER 55 2HB SER 55 17.806 -21.469 -13.772 356 HG SER 55 HG SER 55 18.303 -21.436 -15.806 357 H GLY 56 H GLY 56 16.098 -24.551 -13.335 358 HA2 GLY 56 1HA GLY 56 14.982 -24.099 -10.737 359 HA3 GLY 56 2HA GLY 56 15.750 -25.577 -11.298 Start of MODEL 16 1 H1 GLY 1 H GLY 1 8.488 18.236 0.461 2 HA2 GLY 1 1HA GLY 1 6.326 17.946 2.164 3 HA3 GLY 1 2HA GLY 1 5.902 19.256 1.072 4 H SER 2 H SER 2 7.467 16.063 0.771 5 HA SER 2 HA SER 2 7.297 14.503 -0.906 6 HB2 SER 2 1HB SER 2 4.347 14.975 -0.423 7 HB3 SER 2 2HB SER 2 5.095 13.499 -1.036 8 HG SER 2 HG SER 2 6.043 14.436 1.396 9 H SER 3 H SER 3 7.731 16.993 -2.021 10 HA SER 3 HA SER 3 5.857 17.182 -4.268 11 HB2 SER 3 1HB SER 3 6.981 19.337 -4.747 12 HB3 SER 3 2HB SER 3 6.327 19.280 -3.110 13 HG SER 3 HG SER 3 8.437 18.791 -2.373 14 H GLY 4 H GLY 4 9.318 16.841 -3.565 15 HA2 GLY 4 1HA GLY 4 10.228 16.724 -6.217 16 HA3 GLY 4 2HA GLY 4 11.050 16.026 -4.830 17 H SER 5 H SER 5 9.897 13.944 -4.009 18 HA SER 5 HA SER 5 9.827 12.143 -6.275 19 HB2 SER 5 1HB SER 5 10.959 11.799 -3.917 20 HB3 SER 5 2HB SER 5 9.354 11.227 -3.464 21 HG SER 5 HG SER 5 10.103 9.418 -4.265 22 H SER 6 H SER 6 8.118 10.823 -6.863 23 HA SER 6 HA SER 6 5.511 11.904 -6.428 24 HB2 SER 6 1HB SER 6 6.272 9.296 -7.764 25 HB3 SER 6 2HB SER 6 4.738 10.150 -7.927 26 HG SER 6 HG SER 6 6.115 10.591 -9.683 27 H GLY 7 H GLY 7 3.909 11.239 -5.105 28 HA2 GLY 7 1HA GLY 7 4.602 9.240 -3.093 29 HA3 GLY 7 2HA GLY 7 3.258 10.370 -3.018 30 H TRP 8 H TRP 8 4.169 8.046 -5.545 31 HA TRP 8 HA TRP 8 1.607 6.671 -5.076 32 HB2 TRP 8 1HB TRP 8 2.873 7.299 -7.752 33 HB3 TRP 8 2HB TRP 8 1.417 6.336 -7.516 34 HD1 TRP 8 HD1 TRP 8 2.550 9.842 -8.018 35 HE1 TRP 8 HE1 TRP 8 0.562 11.460 -7.784 36 HE3 TRP 8 HE3 TRP 8 -0.883 6.625 -6.018 37 HZ2 TRP 8 HZ2 TRP 8 -2.109 11.383 -6.871 38 HZ3 TRP 8 HZ3 TRP 8 -3.130 7.476 -5.492 39 HH2 TRP 8 HH2 TRP 8 -3.729 9.805 -5.910 40 H THR 9 H THR 9 3.226 5.393 -3.737 41 HA THR 9 HA THR 9 3.973 3.051 -5.265 42 HB THR 9 HB THR 9 6.286 3.003 -4.238 43 HG1 THR 9 HG1 THR 9 7.092 4.856 -3.381 44 HG21 THR 9 3HG2 THR 9 5.701 5.203 -6.224 45 HG22 THR 9 1HG2 THR 9 5.926 3.497 -6.610 46 HG23 THR 9 2HG2 THR 9 7.269 4.439 -5.963 47 H CYS 10 H CYS 10 3.260 1.377 -4.135 48 HA CYS 10 HA CYS 10 2.978 1.638 -1.228 49 HB2 CYS 10 1HB CYS 10 1.589 0.043 -3.329 50 HB3 CYS 10 2HB CYS 10 1.678 -0.634 -1.707 51 H ASN 11 H ASN 11 3.609 -0.095 0.163 52 HA ASN 11 HA ASN 11 5.597 -1.938 -0.973 53 HB2 ASN 11 1HB ASN 11 6.010 -0.560 1.677 54 HB3 ASN 11 2HB ASN 11 7.180 -1.476 0.732 55 HD21 ASN 11 1HD2 ASN 11 8.594 -0.314 -0.339 56 HD22 ASN 11 2HD2 ASN 11 8.377 1.310 -0.887 57 H LYS 12 H LYS 12 6.047 -3.808 0.390 58 HA LYS 12 HA LYS 12 3.849 -5.228 1.161 59 HB2 LYS 12 1HB LYS 12 6.740 -5.402 1.839 60 HB3 LYS 12 2HB LYS 12 5.628 -6.367 2.800 61 HG2 LYS 12 1HG LYS 12 6.321 -7.789 1.088 62 HG3 LYS 12 2HG LYS 12 4.724 -7.232 0.580 63 HD2 LYS 12 1HD LYS 12 5.974 -7.010 -1.360 64 HD3 LYS 12 2HD LYS 12 6.043 -5.385 -0.674 65 HE2 LYS 12 1HE LYS 12 8.233 -5.849 0.263 66 HE3 LYS 12 2HE LYS 12 8.157 -7.509 -0.326 67 HZ1 LYS 12 3HZ LYS 12 7.831 -6.334 -2.607 68 HZ2 LYS 12 1HZ LYS 12 9.383 -6.497 -1.955 69 HZ3 LYS 12 2HZ LYS 12 8.567 -5.021 -1.833 70 H PHE 13 H PHE 13 6.018 -3.478 3.386 71 HA PHE 13 HA PHE 13 4.593 -3.946 5.728 72 HB2 PHE 13 1HB PHE 13 6.297 -1.572 4.950 73 HB3 PHE 13 2HB PHE 13 5.719 -1.880 6.585 74 HD1 PHE 13 HD2 PHE 13 6.181 -4.510 7.256 75 HD2 PHE 13 HD1 PHE 13 8.494 -2.093 4.623 76 HE1 PHE 13 HE2 PHE 13 8.145 -5.929 7.683 77 HE2 PHE 13 HE1 PHE 13 10.461 -3.510 5.046 78 HZ PHE 13 HZ PHE 13 10.288 -5.430 6.578 79 H ARG 14 H ARG 14 4.287 -1.302 3.388 80 HA ARG 14 HA ARG 14 2.440 0.279 4.710 81 HB2 ARG 14 1HB ARG 14 2.489 -0.253 1.736 82 HB3 ARG 14 2HB ARG 14 1.829 1.164 2.540 83 HG2 ARG 14 1HG ARG 14 4.694 0.509 2.971 84 HG3 ARG 14 2HG ARG 14 4.206 1.198 1.422 85 HD2 ARG 14 1HD ARG 14 4.754 3.059 2.716 86 HD3 ARG 14 2HD ARG 14 2.995 2.975 2.815 87 HE ARG 14 HE ARG 14 3.803 1.575 4.983 88 HH11 ARG 14 1HH1 ARG 14 4.569 4.743 3.758 89 HH12 ARG 14 2HH1 ARG 14 4.862 5.421 5.325 90 HH21 ARG 14 1HH2 ARG 14 4.184 2.457 7.052 91 HH22 ARG 14 2HH2 ARG 14 4.643 4.120 7.199 92 H CYS 15 H CYS 15 1.759 -2.327 2.372 93 HA CYS 15 HA CYS 15 -0.897 -2.383 2.186 94 HB2 CYS 15 1HB CYS 15 0.624 -4.883 2.935 95 HB3 CYS 15 2HB CYS 15 -0.834 -4.771 1.955 96 H GLY 16 H GLY 16 -2.669 -2.619 3.423 97 HA2 GLY 16 1HA GLY 16 -3.990 -2.964 5.273 98 HA3 GLY 16 2HA GLY 16 -2.724 -4.014 5.894 99 H GLU 17 H GLU 17 -2.982 -0.520 5.211 100 HA GLU 17 HA GLU 17 -2.182 -0.023 8.000 101 HB2 GLU 17 1HB GLU 17 -0.775 1.816 7.288 102 HB3 GLU 17 2HB GLU 17 -0.272 0.341 6.473 103 HG2 GLU 17 1HG GLU 17 -0.938 1.073 4.425 104 HG3 GLU 17 2HG GLU 17 -2.216 2.096 5.082 105 H LYS 18 H LYS 18 -2.763 2.145 8.784 106 HA LYS 18 HA LYS 18 -5.029 3.349 7.358 107 HB2 LYS 18 1HB LYS 18 -4.986 2.604 10.288 108 HB3 LYS 18 2HB LYS 18 -6.238 3.572 9.518 109 HG2 LYS 18 1HG LYS 18 -6.862 1.703 8.112 110 HG3 LYS 18 2HG LYS 18 -5.555 0.730 8.790 111 HD2 LYS 18 1HD LYS 18 -7.293 -0.008 10.078 112 HD3 LYS 18 2HD LYS 18 -6.755 1.354 11.064 113 HE2 LYS 18 1HE LYS 18 -8.779 1.866 8.949 114 HE3 LYS 18 2HE LYS 18 -9.298 1.015 10.403 115 HZ1 LYS 18 3HZ LYS 18 -7.736 3.486 10.681 116 HZ2 LYS 18 1HZ LYS 18 -8.901 2.827 11.717 117 HZ3 LYS 18 2HZ LYS 18 -9.378 3.599 10.290 118 H ARG 19 H ARG 19 -2.448 4.344 7.341 119 HA ARG 19 HA ARG 19 -2.777 6.790 8.937 120 HB2 ARG 19 1HB ARG 19 -1.028 5.272 9.907 121 HB3 ARG 19 2HB ARG 19 -0.123 5.448 8.410 122 HG2 ARG 19 1HG ARG 19 0.121 7.821 8.791 123 HG3 ARG 19 2HG ARG 19 -0.882 7.715 10.240 124 HD2 ARG 19 1HD ARG 19 1.732 6.264 9.850 125 HD3 ARG 19 2HD ARG 19 1.556 7.793 10.713 126 HE ARG 19 HE ARG 19 0.589 6.664 12.484 127 HH11 ARG 19 1HH1 ARG 19 1.025 4.526 9.771 128 HH12 ARG 19 2HH1 ARG 19 0.701 3.089 10.684 129 HH21 ARG 19 1HH2 ARG 19 0.162 4.780 13.697 130 HH22 ARG 19 2HH2 ARG 19 0.209 3.235 12.917 131 H LEU 20 H LEU 20 -3.733 6.756 6.445 132 HA LEU 20 HA LEU 20 -1.727 7.615 4.547 133 HB2 LEU 20 1HB LEU 20 -3.787 8.055 3.117 134 HB3 LEU 20 2HB LEU 20 -3.445 6.385 3.563 135 HG LEU 20 HG LEU 20 -5.883 7.273 3.648 136 HD11 LEU 20 1HD1 LEU 20 -4.493 5.236 4.951 137 HD12 LEU 20 2HD1 LEU 20 -6.235 5.353 4.703 138 HD13 LEU 20 3HD1 LEU 20 -5.513 5.971 6.189 139 HD21 LEU 20 3HD2 LEU 20 -6.467 8.139 5.904 140 HD22 LEU 20 1HD2 LEU 20 -5.515 9.264 4.934 141 HD23 LEU 20 2HD2 LEU 20 -4.745 8.343 6.226 142 H THR 21 H THR 21 -1.883 9.212 6.891 143 HA THR 21 HA THR 21 -3.404 11.509 6.751 144 HB THR 21 HB THR 21 -0.518 11.379 7.649 145 HG1 THR 21 HG1 THR 21 -1.823 9.822 8.715 146 HG21 THR 21 3HG2 THR 21 -2.491 13.129 8.980 147 HG22 THR 21 1HG2 THR 21 -2.005 13.608 7.355 148 HG23 THR 21 2HG2 THR 21 -0.789 13.412 8.617 149 H ARG 22 H ARG 22 -3.701 12.542 4.851 150 HA ARG 22 HA ARG 22 -3.275 13.905 3.080 151 HB2 ARG 22 1HB ARG 22 -1.960 15.164 4.790 152 HB3 ARG 22 2HB ARG 22 -0.535 14.251 4.309 153 HG2 ARG 22 1HG ARG 22 -0.316 15.367 2.330 154 HG3 ARG 22 2HG ARG 22 -2.040 15.717 2.209 155 HD2 ARG 22 1HD ARG 22 -0.497 16.951 4.432 156 HD3 ARG 22 2HD ARG 22 -0.279 17.594 2.806 157 HE ARG 22 HE ARG 22 -2.625 17.827 4.471 158 HH11 ARG 22 1HH1 ARG 22 -1.333 18.003 1.244 159 HH12 ARG 22 2HH1 ARG 22 -2.605 19.017 0.650 160 HH21 ARG 22 1HH2 ARG 22 -4.306 19.162 3.701 161 HH22 ARG 22 2HH2 ARG 22 -4.296 19.676 2.049 162 H SER 23 H SER 23 -2.658 11.035 3.001 163 HA SER 23 HA SER 23 -0.374 10.864 1.200 164 HB2 SER 23 1HB SER 23 -2.038 8.916 2.713 165 HB3 SER 23 2HB SER 23 -1.301 8.352 1.214 166 HG SER 23 HG SER 23 0.208 9.715 3.170 167 H LEU 24 H LEU 24 -0.514 10.755 -0.951 168 HA LEU 24 HA LEU 24 -2.796 11.436 -2.359 169 HB2 LEU 24 1HB LEU 24 -0.351 9.924 -3.255 170 HB3 LEU 24 2HB LEU 24 -1.592 10.514 -4.358 171 HG LEU 24 HG LEU 24 0.081 12.271 -2.565 172 HD11 LEU 24 1HD1 LEU 24 0.490 11.253 -5.325 173 HD12 LEU 24 2HD1 LEU 24 1.668 11.601 -4.060 174 HD13 LEU 24 3HD1 LEU 24 0.939 12.922 -4.973 175 HD21 LEU 24 3HD2 LEU 24 -2.040 13.279 -3.088 176 HD22 LEU 24 1HD2 LEU 24 -1.854 12.879 -4.796 177 HD23 LEU 24 2HD2 LEU 24 -0.782 14.063 -4.046 178 H CYS 25 H CYS 25 -1.356 8.189 -2.041 179 HA CYS 25 HA CYS 25 -3.942 7.050 -2.863 180 HB2 CYS 25 1HB CYS 25 -2.837 5.261 -3.817 181 HB3 CYS 25 2HB CYS 25 -1.666 6.549 -4.082 182 H ALA 26 H ALA 26 -3.968 4.603 -1.917 183 HA ALA 26 HA ALA 26 -3.360 4.726 0.953 184 HB1 ALA 26 3HB ALA 26 -5.943 5.004 -0.130 185 HB2 ALA 26 1HB ALA 26 -5.862 3.393 0.584 186 HB3 ALA 26 2HB ALA 26 -5.491 4.812 1.563 187 H CYS 27 H CYS 27 -2.095 3.048 1.378 188 HA CYS 27 HA CYS 27 -2.112 0.691 -0.290 189 HB2 CYS 27 1HB CYS 27 -0.502 1.385 2.174 190 HB3 CYS 27 2HB CYS 27 -0.260 -0.057 1.195 191 H SER 28 H SER 28 -4.559 1.059 1.019 192 HA SER 28 HA SER 28 -4.583 -1.297 2.781 193 HB2 SER 28 1HB SER 28 -4.863 0.670 4.191 194 HB3 SER 28 2HB SER 28 -6.167 1.255 3.159 195 HG SER 28 HG SER 28 -7.114 -0.946 3.727 196 H ASP 29 H ASP 29 -6.563 -2.503 2.785 197 HA ASP 29 HA ASP 29 -7.615 -3.048 0.292 198 HB2 ASP 29 1HB ASP 29 -9.518 -4.139 1.584 199 HB3 ASP 29 2HB ASP 29 -7.892 -4.677 1.992 200 H ASP 30 H ASP 30 -8.995 -0.999 2.842 201 HA ASP 30 HA ASP 30 -11.421 -0.325 1.913 202 HB2 ASP 30 1HB ASP 30 -9.509 1.857 2.731 203 HB3 ASP 30 2HB ASP 30 -11.243 1.757 3.023 204 H CYS 31 H CYS 31 -8.370 0.625 0.482 205 HA CYS 31 HA CYS 31 -9.338 2.599 -1.277 206 HB2 CYS 31 1HB CYS 31 -7.235 2.543 -2.283 207 HB3 CYS 31 2HB CYS 31 -6.897 1.971 -0.653 208 H LYS 32 H LYS 32 -8.852 -0.890 -1.699 209 HA LYS 32 HA LYS 32 -9.370 -1.266 -4.331 210 HB2 LYS 32 1HB LYS 32 -10.023 -2.838 -1.891 211 HB3 LYS 32 2HB LYS 32 -10.788 -3.334 -3.396 212 HG2 LYS 32 1HG LYS 32 -7.876 -2.848 -3.491 213 HG3 LYS 32 2HG LYS 32 -8.421 -4.258 -2.581 214 HD2 LYS 32 1HD LYS 32 -8.269 -5.224 -4.633 215 HD3 LYS 32 2HD LYS 32 -9.909 -4.586 -4.771 216 HE2 LYS 32 1HE LYS 32 -8.799 -3.973 -6.764 217 HE3 LYS 32 2HE LYS 32 -8.875 -2.511 -5.781 218 HZ1 LYS 32 3HZ LYS 32 -6.586 -2.937 -5.075 219 HZ2 LYS 32 1HZ LYS 32 -6.698 -2.756 -6.754 220 HZ3 LYS 32 2HZ LYS 32 -6.521 -4.297 -6.080 221 H ASP 33 H ASP 33 -11.752 -0.569 -1.823 222 HA ASP 33 HA ASP 33 -14.001 -0.819 -3.585 223 HB2 ASP 33 1HB ASP 33 -13.701 0.345 -0.812 224 HB3 ASP 33 2HB ASP 33 -15.238 0.269 -1.669 225 H GLN 34 H GLN 34 -12.607 1.997 -1.888 226 HA GLN 34 HA GLN 34 -14.057 3.957 -3.215 227 HB2 GLN 34 1HB GLN 34 -11.323 4.010 -1.952 228 HB3 GLN 34 2HB GLN 34 -12.065 5.451 -2.635 229 HG2 GLN 34 1HG GLN 34 -14.002 5.077 -1.103 230 HG3 GLN 34 2HG GLN 34 -13.069 3.792 -0.338 231 HE21 GLN 34 1HE2 GLN 34 -13.308 5.071 1.597 232 HE22 GLN 34 2HE2 GLN 34 -12.227 6.386 1.890 233 H GLY 35 H GLY 35 -10.669 3.045 -3.898 234 HA2 GLY 35 1HA GLY 35 -10.094 2.489 -6.227 235 HA3 GLY 35 2HA GLY 35 -11.172 3.788 -6.714 236 H ASP 36 H ASP 36 -8.703 3.732 -4.167 237 HA ASP 36 HA ASP 36 -7.183 5.742 -5.682 238 HB2 ASP 36 1HB ASP 36 -7.477 5.946 -2.699 239 HB3 ASP 36 2HB ASP 36 -6.985 7.187 -3.848 240 H CYS 37 H CYS 37 -6.600 3.019 -5.604 241 HA CYS 37 HA CYS 37 -4.501 2.639 -3.627 242 HB2 CYS 37 1HB CYS 37 -5.070 0.722 -5.864 243 HB3 CYS 37 2HB CYS 37 -4.492 0.388 -4.234 244 H CYS 38 H CYS 38 -2.430 3.082 -3.975 245 HA CYS 38 HA CYS 38 -1.330 4.495 -5.961 246 HB2 CYS 38 1HB CYS 38 -0.213 2.396 -4.173 247 HB3 CYS 38 2HB CYS 38 0.800 2.945 -5.505 248 H ILE 39 H ILE 39 -0.232 4.134 -7.913 249 HA ILE 39 HA ILE 39 -1.405 2.522 -9.781 250 HB ILE 39 HB ILE 39 0.130 4.315 -10.391 251 HG12 ILE 39 1HG1 ILE 39 1.358 1.807 -11.500 252 HG13 ILE 39 2HG1 ILE 39 -0.319 2.211 -11.857 253 HG21 ILE 39 1HG2 ILE 39 2.516 2.623 -9.866 254 HG22 ILE 39 2HG2 ILE 39 2.360 4.379 -9.908 255 HG23 ILE 39 3HG2 ILE 39 1.782 3.476 -8.508 256 HD11 ILE 39 3HD1 ILE 39 1.677 2.947 -13.422 257 HD12 ILE 39 1HD1 ILE 39 0.243 3.949 -13.198 258 HD13 ILE 39 2HD1 ILE 39 1.719 4.311 -12.303 259 H ASN 40 H ASN 40 1.353 1.736 -7.714 260 HA ASN 40 HA ASN 40 1.237 -1.035 -8.703 261 HB2 ASN 40 1HB ASN 40 3.535 -1.269 -7.813 262 HB3 ASN 40 2HB ASN 40 3.420 -0.002 -9.031 263 HD21 ASN 40 1HD2 ASN 40 4.986 -0.678 -6.379 264 HD22 ASN 40 2HD2 ASN 40 5.104 0.877 -5.634 265 H TYR 41 H TYR 41 -0.743 -0.516 -7.011 266 HA TYR 41 HA TYR 41 0.053 -1.061 -4.279 267 HB2 TYR 41 1HB TYR 41 -1.769 0.393 -4.352 268 HB3 TYR 41 2HB TYR 41 -2.555 -0.498 -5.652 269 HD1 TYR 41 HD1 TYR 41 -1.822 -0.505 -2.032 270 HD2 TYR 41 HD2 TYR 41 -4.053 -2.289 -5.186 271 HE1 TYR 41 HE1 TYR 41 -3.214 -1.678 -0.377 272 HE2 TYR 41 HE2 TYR 41 -5.451 -3.466 -3.540 273 HH TYR 41 HH TYR 41 -5.038 -2.933 -0.063 274 H SER 42 H SER 42 -1.836 -2.692 -6.813 275 HA SER 42 HA SER 42 -2.265 -5.066 -5.324 276 HB2 SER 42 1HB SER 42 -2.971 -6.038 -7.483 277 HB3 SER 42 2HB SER 42 -3.704 -4.457 -7.209 278 HG SER 42 HG SER 42 -2.517 -5.096 -9.338 279 H SER 43 H SER 43 0.101 -4.167 -7.806 280 HA SER 43 HA SER 43 1.377 -6.607 -8.119 281 HB2 SER 43 1HB SER 43 3.386 -5.246 -8.771 282 HB3 SER 43 2HB SER 43 1.898 -4.768 -9.588 283 HG SER 43 HG SER 43 1.910 -2.912 -8.556 284 H VAL 44 H VAL 44 2.085 -4.021 -5.787 285 HA VAL 44 HA VAL 44 4.183 -5.499 -4.509 286 HB VAL 44 HB VAL 44 2.699 -3.011 -3.656 287 HG11 VAL 44 1HG1 VAL 44 3.678 -3.103 -1.663 288 HG12 VAL 44 2HG1 VAL 44 4.220 -4.737 -2.053 289 HG13 VAL 44 3HG1 VAL 44 5.259 -3.354 -2.401 290 HG21 VAL 44 3HG2 VAL 44 5.288 -2.308 -4.131 291 HG22 VAL 44 1HG2 VAL 44 5.027 -3.555 -5.351 292 HG23 VAL 44 2HG2 VAL 44 3.970 -2.145 -5.292 293 H CYS 45 H CYS 45 0.885 -4.558 -3.534 294 HA CYS 45 HA CYS 45 0.970 -6.226 -1.192 295 HB2 CYS 45 1HB CYS 45 -1.305 -4.715 -2.493 296 HB3 CYS 45 2HB CYS 45 -1.420 -5.558 -0.951 297 H GLN 46 H GLN 46 -1.377 -6.211 -3.874 298 HA GLN 46 HA GLN 46 -2.225 -8.859 -3.427 299 HB2 GLN 46 1HB GLN 46 -2.480 -7.014 -5.796 300 HB3 GLN 46 2HB GLN 46 -3.172 -8.630 -5.787 301 HG2 GLN 46 1HG GLN 46 -3.813 -6.491 -3.771 302 HG3 GLN 46 2HG GLN 46 -4.779 -6.843 -5.203 303 HE21 GLN 46 1HE2 GLN 46 -5.611 -9.059 -5.390 304 HE22 GLN 46 2HE2 GLN 46 -6.083 -9.883 -3.947 305 H GLY 47 H GLY 47 -0.219 -10.020 -3.255 306 HA2 GLY 47 1HA GLY 47 0.484 -11.787 -5.055 307 HA3 GLY 47 2HA GLY 47 1.271 -10.380 -5.754 308 H GLU 48 H GLU 48 1.992 -13.038 -4.173 309 HA GLU 48 HA GLU 48 3.580 -12.070 -1.998 310 HB2 GLU 48 1HB GLU 48 2.661 -14.339 -1.990 311 HB3 GLU 48 2HB GLU 48 3.610 -14.740 -3.413 312 HG2 GLU 48 1HG GLU 48 5.034 -13.754 -1.001 313 HG3 GLU 48 2HG GLU 48 4.401 -15.399 -0.996 314 H LYS 49 H LYS 49 5.650 -11.436 -1.972 315 HA LYS 49 HA LYS 49 7.192 -11.693 -4.471 316 HB2 LYS 49 1HB LYS 49 6.424 -9.358 -3.788 317 HB3 LYS 49 2HB LYS 49 7.543 -9.494 -2.439 318 HG2 LYS 49 1HG LYS 49 8.561 -10.005 -5.186 319 HG3 LYS 49 2HG LYS 49 8.247 -8.340 -4.689 320 HD2 LYS 49 1HD LYS 49 9.819 -8.449 -2.948 321 HD3 LYS 49 2HD LYS 49 9.882 -10.212 -3.000 322 HE2 LYS 49 1HE LYS 49 10.718 -9.765 -5.460 323 HE3 LYS 49 2HE LYS 49 11.172 -8.203 -4.782 324 HZ1 LYS 49 3HZ LYS 49 12.390 -10.770 -4.414 325 HZ2 LYS 49 1HZ LYS 49 12.081 -9.986 -2.946 326 HZ3 LYS 49 2HZ LYS 49 13.021 -9.226 -4.131 327 H SER 50 H SER 50 7.625 -11.176 -0.968 328 HA SER 50 HA SER 50 10.056 -12.833 -1.124 329 HB2 SER 50 1HB SER 50 10.851 -11.644 0.868 330 HB3 SER 50 2HB SER 50 10.481 -10.506 -0.427 331 HG SER 50 HG SER 50 8.513 -11.141 1.472 332 H SER 51 H SER 51 9.822 -14.801 -0.322 333 HA SER 51 HA SER 51 7.581 -15.647 1.160 334 HB2 SER 51 1HB SER 51 9.124 -17.075 -0.284 335 HB3 SER 51 2HB SER 51 10.238 -17.081 1.083 336 HG SER 51 HG SER 51 8.020 -18.557 0.694 337 H GLY 52 H GLY 52 7.194 -14.733 3.099 338 HA2 GLY 52 1HA GLY 52 9.063 -15.323 5.248 339 HA3 GLY 52 2HA GLY 52 8.762 -13.617 4.954 340 HA PRO 53 HA PRO 53 4.650 -15.704 6.513 341 HB2 PRO 53 1HB PRO 53 5.030 -17.983 7.939 342 HB3 PRO 53 2HB PRO 53 4.729 -17.979 6.197 343 HG2 PRO 53 1HG PRO 53 7.323 -18.225 7.671 344 HG3 PRO 53 2HG PRO 53 6.750 -19.129 6.257 345 HD2 PRO 53 1HD PRO 53 8.490 -17.063 6.058 346 HD3 PRO 53 2HD PRO 53 7.300 -17.435 4.794 347 H SER 54 H SER 54 7.506 -14.876 7.925 348 HA SER 54 HA SER 54 6.863 -15.154 10.692 349 HB2 SER 54 1HB SER 54 8.775 -13.534 11.001 350 HB3 SER 54 2HB SER 54 9.179 -14.994 10.096 351 HG SER 54 HG SER 54 8.884 -12.354 9.191 352 H SER 55 H SER 55 6.743 -13.208 12.151 353 HA SER 55 HA SER 55 4.654 -11.447 11.146 354 HB2 SER 55 1HB SER 55 5.748 -11.656 13.960 355 HB3 SER 55 2HB SER 55 4.244 -10.881 13.460 356 HG SER 55 HG SER 55 4.660 -13.433 14.106 357 H GLY 56 H GLY 56 7.135 -10.918 10.017 358 HA2 GLY 56 1HA GLY 56 7.408 -8.143 10.610 359 HA3 GLY 56 2HA GLY 56 8.770 -9.057 11.242 Start of MODEL 17 1 H1 GLY 1 H GLY 1 17.889 15.190 3.484 2 HA2 GLY 1 1HA GLY 1 18.656 15.327 0.787 3 HA3 GLY 1 2HA GLY 1 18.911 13.949 1.847 4 H SER 2 H SER 2 17.498 12.219 1.789 5 HA SER 2 HA SER 2 15.965 11.992 -0.654 6 HB2 SER 2 1HB SER 2 15.847 9.658 -0.190 7 HB3 SER 2 2HB SER 2 17.469 10.167 0.282 8 HG SER 2 HG SER 2 15.998 8.821 1.778 9 H SER 3 H SER 3 13.858 12.340 -0.823 10 HA SER 3 HA SER 3 12.240 12.360 1.640 11 HB2 SER 3 1HB SER 3 11.754 13.920 -0.910 12 HB3 SER 3 2HB SER 3 10.799 14.015 0.569 13 HG SER 3 HG SER 3 12.933 14.612 1.558 14 H GLY 4 H GLY 4 11.841 10.089 1.399 15 HA2 GLY 4 1HA GLY 4 9.965 9.467 -0.800 16 HA3 GLY 4 2HA GLY 4 11.054 8.286 -0.087 17 H SER 5 H SER 5 8.761 10.665 1.252 18 HA SER 5 HA SER 5 7.662 8.506 2.921 19 HB2 SER 5 1HB SER 5 8.505 10.232 4.321 20 HB3 SER 5 2HB SER 5 7.790 11.496 3.320 21 HG SER 5 HG SER 5 5.897 11.178 4.240 22 H SER 6 H SER 6 6.724 11.327 0.983 23 HA SER 6 HA SER 6 4.019 10.180 0.761 24 HB2 SER 6 1HB SER 6 4.320 12.497 1.827 25 HB3 SER 6 2HB SER 6 4.718 13.060 0.204 26 HG SER 6 HG SER 6 2.300 11.854 1.065 27 H GLY 7 H GLY 7 4.504 8.835 -0.994 28 HA2 GLY 7 1HA GLY 7 4.932 10.294 -3.525 29 HA3 GLY 7 2HA GLY 7 5.756 8.777 -3.196 30 H TRP 8 H TRP 8 4.817 7.863 -5.073 31 HA TRP 8 HA TRP 8 1.995 7.109 -4.698 32 HB2 TRP 8 1HB TRP 8 3.415 7.939 -7.223 33 HB3 TRP 8 2HB TRP 8 1.933 6.987 -7.262 34 HD1 TRP 8 HD1 TRP 8 3.221 10.485 -6.380 35 HE1 TRP 8 HE1 TRP 8 1.214 12.091 -6.252 36 HE3 TRP 8 HE3 TRP 8 -0.568 7.082 -6.821 37 HZ2 TRP 8 HZ2 TRP 8 -1.604 11.934 -6.327 38 HZ3 TRP 8 HZ3 TRP 8 -2.890 7.892 -6.783 39 HH2 TRP 8 HH2 TRP 8 -3.396 10.268 -6.540 40 H THR 9 H THR 9 4.080 5.602 -3.684 41 HA THR 9 HA THR 9 3.839 3.183 -5.321 42 HB THR 9 HB THR 9 6.201 2.586 -4.881 43 HG1 THR 9 HG1 THR 9 7.461 4.685 -4.353 44 HG21 THR 9 3HG2 THR 9 5.666 3.550 -7.026 45 HG22 THR 9 1HG2 THR 9 7.211 4.201 -6.482 46 HG23 THR 9 2HG2 THR 9 5.749 5.180 -6.359 47 H CYS 10 H CYS 10 3.098 1.559 -4.133 48 HA CYS 10 HA CYS 10 2.919 1.790 -1.274 49 HB2 CYS 10 1HB CYS 10 1.963 -0.178 -3.317 50 HB3 CYS 10 2HB CYS 10 1.978 -0.642 -1.619 51 H ASN 11 H ASN 11 3.452 -0.240 0.062 52 HA ASN 11 HA ASN 11 5.914 -1.547 -0.809 53 HB2 ASN 11 1HB ASN 11 5.795 -0.260 1.912 54 HB3 ASN 11 2HB ASN 11 7.202 -0.887 1.058 55 HD21 ASN 11 1HD2 ASN 11 5.839 1.850 2.052 56 HD22 ASN 11 2HD2 ASN 11 6.396 2.945 0.836 57 H LYS 12 H LYS 12 6.616 -3.198 0.908 58 HA LYS 12 HA LYS 12 4.598 -5.075 1.263 59 HB2 LYS 12 1HB LYS 12 7.342 -4.726 2.397 60 HB3 LYS 12 2HB LYS 12 6.295 -5.964 3.079 61 HG2 LYS 12 1HG LYS 12 7.563 -7.066 1.453 62 HG3 LYS 12 2HG LYS 12 5.990 -6.800 0.699 63 HD2 LYS 12 1HD LYS 12 6.954 -4.726 -0.343 64 HD3 LYS 12 2HD LYS 12 8.533 -5.244 0.253 65 HE2 LYS 12 1HE LYS 12 8.255 -7.363 -1.001 66 HE3 LYS 12 2HE LYS 12 6.743 -6.742 -1.660 67 HZ1 LYS 12 3HZ LYS 12 8.220 -6.195 -3.302 68 HZ2 LYS 12 1HZ LYS 12 9.500 -5.907 -2.234 69 HZ3 LYS 12 2HZ LYS 12 8.254 -4.773 -2.387 70 H PHE 13 H PHE 13 6.080 -2.958 3.718 71 HA PHE 13 HA PHE 13 4.457 -3.738 5.857 72 HB2 PHE 13 1HB PHE 13 5.650 -0.992 5.442 73 HB3 PHE 13 2HB PHE 13 5.214 -1.739 6.975 74 HD1 PHE 13 HD2 PHE 13 6.369 -4.232 7.157 75 HD2 PHE 13 HD1 PHE 13 7.897 -0.846 5.079 76 HE1 PHE 13 HE2 PHE 13 8.647 -5.138 7.362 77 HE2 PHE 13 HE1 PHE 13 10.177 -1.748 5.280 78 HZ PHE 13 HZ PHE 13 10.555 -3.896 6.423 79 H ARG 14 H ARG 14 4.053 -1.126 3.496 80 HA ARG 14 HA ARG 14 1.885 0.204 4.482 81 HB2 ARG 14 1HB ARG 14 2.398 -0.576 1.607 82 HB3 ARG 14 2HB ARG 14 1.239 0.643 2.120 83 HG2 ARG 14 1HG ARG 14 4.120 0.851 2.896 84 HG3 ARG 14 2HG ARG 14 3.561 1.394 1.313 85 HD2 ARG 14 1HD ARG 14 3.538 3.286 2.751 86 HD3 ARG 14 2HD ARG 14 1.861 2.802 2.503 87 HE ARG 14 HE ARG 14 3.126 1.718 4.868 88 HH11 ARG 14 1HH1 ARG 14 1.197 4.274 3.503 89 HH12 ARG 14 2HH1 ARG 14 0.507 4.741 5.023 90 HH21 ARG 14 1HH2 ARG 14 2.225 2.323 6.874 91 HH22 ARG 14 2HH2 ARG 14 1.093 3.632 6.939 92 H CYS 15 H CYS 15 1.841 -2.824 2.635 93 HA CYS 15 HA CYS 15 -0.814 -3.234 2.229 94 HB2 CYS 15 1HB CYS 15 0.942 -5.431 3.315 95 HB3 CYS 15 2HB CYS 15 -0.381 -5.566 2.161 96 H GLY 16 H GLY 16 -2.283 -2.539 3.704 97 HA2 GLY 16 1HA GLY 16 -3.755 -3.291 5.441 98 HA3 GLY 16 2HA GLY 16 -2.376 -4.040 6.233 99 H GLU 17 H GLU 17 -2.708 -0.749 4.952 100 HA GLU 17 HA GLU 17 -1.733 0.314 7.464 101 HB2 GLU 17 1HB GLU 17 -1.731 2.478 6.288 102 HB3 GLU 17 2HB GLU 17 -0.856 1.241 5.396 103 HG2 GLU 17 1HG GLU 17 -2.040 2.147 3.692 104 HG3 GLU 17 2HG GLU 17 -3.203 0.935 4.224 105 H LYS 18 H LYS 18 -2.851 2.469 8.159 106 HA LYS 18 HA LYS 18 -5.641 1.790 8.685 107 HB2 LYS 18 1HB LYS 18 -5.522 3.520 10.422 108 HB3 LYS 18 2HB LYS 18 -4.234 2.337 10.605 109 HG2 LYS 18 1HG LYS 18 -2.760 3.978 9.339 110 HG3 LYS 18 2HG LYS 18 -4.044 5.159 9.605 111 HD2 LYS 18 1HD LYS 18 -3.062 3.608 11.944 112 HD3 LYS 18 2HD LYS 18 -2.025 4.882 11.299 113 HE2 LYS 18 1HE LYS 18 -3.521 6.551 11.829 114 HE3 LYS 18 2HE LYS 18 -4.907 5.462 11.803 115 HZ1 LYS 18 3HZ LYS 18 -2.830 5.666 13.911 116 HZ2 LYS 18 1HZ LYS 18 -3.991 4.437 13.856 117 HZ3 LYS 18 2HZ LYS 18 -4.472 6.047 14.050 118 H ARG 19 H ARG 19 -7.063 3.886 8.963 119 HA ARG 19 HA ARG 19 -7.364 4.979 6.352 120 HB2 ARG 19 1HB ARG 19 -9.139 4.514 8.228 121 HB3 ARG 19 2HB ARG 19 -8.729 6.143 8.748 122 HG2 ARG 19 1HG ARG 19 -9.694 5.403 5.993 123 HG3 ARG 19 2HG ARG 19 -10.699 6.071 7.280 124 HD2 ARG 19 1HD ARG 19 -10.183 7.996 6.172 125 HD3 ARG 19 2HD ARG 19 -8.819 7.931 7.288 126 HE ARG 19 HE ARG 19 -7.413 7.479 5.515 127 HH11 ARG 19 1HH1 ARG 19 -10.735 7.318 4.485 128 HH12 ARG 19 2HH1 ARG 19 -10.346 7.266 2.798 129 HH21 ARG 19 1HH2 ARG 19 -6.888 7.412 3.296 130 HH22 ARG 19 2HH2 ARG 19 -8.158 7.320 2.123 131 H LEU 20 H LEU 20 -5.589 6.194 5.789 132 HA LEU 20 HA LEU 20 -4.842 8.439 7.511 133 HB2 LEU 20 1HB LEU 20 -3.525 6.933 5.322 134 HB3 LEU 20 2HB LEU 20 -3.093 8.630 5.515 135 HG LEU 20 HG LEU 20 -2.734 7.861 8.032 136 HD11 LEU 20 1HD1 LEU 20 -3.437 5.579 7.742 137 HD12 LEU 20 2HD1 LEU 20 -1.702 5.610 8.054 138 HD13 LEU 20 3HD1 LEU 20 -2.298 5.355 6.414 139 HD21 LEU 20 3HD2 LEU 20 -1.044 8.917 6.674 140 HD22 LEU 20 1HD2 LEU 20 -0.798 7.429 5.760 141 HD23 LEU 20 2HD2 LEU 20 -0.353 7.497 7.465 142 H THR 21 H THR 21 -4.472 10.556 6.511 143 HA THR 21 HA THR 21 -6.435 11.083 4.376 144 HB THR 21 HB THR 21 -6.642 13.365 5.291 145 HG1 THR 21 HG1 THR 21 -5.718 13.309 7.653 146 HG21 THR 21 3HG2 THR 21 -7.594 12.579 7.609 147 HG22 THR 21 1HG2 THR 21 -7.262 10.971 6.966 148 HG23 THR 21 2HG2 THR 21 -8.354 12.056 6.106 149 H ARG 22 H ARG 22 -3.357 12.241 5.741 150 HA ARG 22 HA ARG 22 -2.729 13.723 3.346 151 HB2 ARG 22 1HB ARG 22 -2.060 14.351 5.735 152 HB3 ARG 22 2HB ARG 22 -0.834 13.097 5.602 153 HG2 ARG 22 1HG ARG 22 0.313 15.027 5.042 154 HG3 ARG 22 2HG ARG 22 -0.102 14.338 3.471 155 HD2 ARG 22 1HD ARG 22 -1.732 15.928 3.059 156 HD3 ARG 22 2HD ARG 22 -1.939 16.305 4.768 157 HE ARG 22 HE ARG 22 -0.178 17.787 4.635 158 HH11 ARG 22 1HH1 ARG 22 -0.379 15.904 1.714 159 HH12 ARG 22 2HH1 ARG 22 0.750 16.890 0.847 160 HH21 ARG 22 1HH2 ARG 22 1.308 19.094 3.503 161 HH22 ARG 22 2HH2 ARG 22 1.710 18.704 1.864 162 H SER 23 H SER 23 -3.171 11.084 2.693 163 HA SER 23 HA SER 23 -0.466 10.190 1.945 164 HB2 SER 23 1HB SER 23 -1.113 7.892 2.198 165 HB3 SER 23 2HB SER 23 -1.556 8.728 3.686 166 HG SER 23 HG SER 23 -3.684 8.757 3.012 167 H LEU 24 H LEU 24 -0.243 10.566 -0.157 168 HA LEU 24 HA LEU 24 -2.044 11.181 -2.056 169 HB2 LEU 24 1HB LEU 24 0.451 9.527 -2.288 170 HB3 LEU 24 2HB LEU 24 -0.497 9.983 -3.703 171 HG LEU 24 HG LEU 24 0.668 11.993 -1.787 172 HD11 LEU 24 1HD1 LEU 24 2.615 11.082 -2.590 173 HD12 LEU 24 2HD1 LEU 24 2.276 12.286 -3.833 174 HD13 LEU 24 3HD1 LEU 24 1.885 10.590 -4.118 175 HD21 LEU 24 3HD2 LEU 24 0.100 12.564 -4.636 176 HD22 LEU 24 1HD2 LEU 24 -0.063 13.596 -3.216 177 HD23 LEU 24 2HD2 LEU 24 -1.287 12.374 -3.562 178 H CYS 25 H CYS 25 -1.029 7.842 -1.339 179 HA CYS 25 HA CYS 25 -3.579 6.925 -2.497 180 HB2 CYS 25 1HB CYS 25 -2.530 5.050 -3.487 181 HB3 CYS 25 2HB CYS 25 -1.496 6.419 -3.881 182 H ALA 26 H ALA 26 -3.996 4.554 -1.760 183 HA ALA 26 HA ALA 26 -3.244 4.236 1.066 184 HB1 ALA 26 3HB ALA 26 -6.024 4.112 -0.083 185 HB2 ALA 26 1HB ALA 26 -5.597 3.483 1.509 186 HB3 ALA 26 2HB ALA 26 -5.413 5.202 1.161 187 H CYS 27 H CYS 27 -2.205 2.369 1.247 188 HA CYS 27 HA CYS 27 -2.692 0.218 -0.643 189 HB2 CYS 27 1HB CYS 27 -0.768 0.147 1.675 190 HB3 CYS 27 2HB CYS 27 -0.704 -0.774 0.176 191 H SER 28 H SER 28 -4.851 0.798 1.095 192 HA SER 28 HA SER 28 -4.868 -1.559 2.862 193 HB2 SER 28 1HB SER 28 -5.222 0.557 4.053 194 HB3 SER 28 2HB SER 28 -6.577 0.938 2.992 195 HG SER 28 HG SER 28 -7.674 -0.849 3.831 196 H ASP 29 H ASP 29 -7.015 -2.622 3.097 197 HA ASP 29 HA ASP 29 -7.964 -3.518 0.621 198 HB2 ASP 29 1HB ASP 29 -8.126 -4.765 2.785 199 HB3 ASP 29 2HB ASP 29 -9.422 -3.672 3.265 200 H ASP 30 H ASP 30 -9.297 -1.147 2.887 201 HA ASP 30 HA ASP 30 -11.756 -0.647 1.810 202 HB2 ASP 30 1HB ASP 30 -9.937 1.606 2.643 203 HB3 ASP 30 2HB ASP 30 -11.685 1.488 2.826 204 H CYS 31 H CYS 31 -8.637 0.538 0.645 205 HA CYS 31 HA CYS 31 -9.336 2.390 -1.217 206 HB2 CYS 31 1HB CYS 31 -7.265 2.073 -2.168 207 HB3 CYS 31 2HB CYS 31 -7.022 1.249 -0.631 208 H LYS 32 H LYS 32 -9.473 -1.127 -1.620 209 HA LYS 32 HA LYS 32 -10.096 -1.389 -4.259 210 HB2 LYS 32 1HB LYS 32 -11.471 -2.875 -2.012 211 HB3 LYS 32 2HB LYS 32 -11.324 -3.415 -3.680 212 HG2 LYS 32 1HG LYS 32 -8.996 -2.951 -1.829 213 HG3 LYS 32 2HG LYS 32 -9.746 -4.520 -2.129 214 HD2 LYS 32 1HD LYS 32 -8.732 -2.842 -4.396 215 HD3 LYS 32 2HD LYS 32 -7.636 -3.872 -3.472 216 HE2 LYS 32 1HE LYS 32 -10.172 -5.029 -4.530 217 HE3 LYS 32 2HE LYS 32 -8.827 -4.762 -5.638 218 HZ1 LYS 32 3HZ LYS 32 -7.430 -6.067 -4.075 219 HZ2 LYS 32 1HZ LYS 32 -8.671 -6.965 -4.794 220 HZ3 LYS 32 2HZ LYS 32 -8.824 -6.442 -3.193 221 H ASP 33 H ASP 33 -12.245 -0.351 -1.665 222 HA ASP 33 HA ASP 33 -14.617 -0.326 -3.228 223 HB2 ASP 33 1HB ASP 33 -14.397 -0.315 -0.666 224 HB3 ASP 33 2HB ASP 33 -14.134 1.420 -0.821 225 H GLN 34 H GLN 34 -12.668 2.397 -1.992 226 HA GLN 34 HA GLN 34 -13.918 4.274 -3.742 227 HB2 GLN 34 1HB GLN 34 -11.657 4.354 -1.793 228 HB3 GLN 34 2HB GLN 34 -11.808 5.660 -2.961 229 HG2 GLN 34 1HG GLN 34 -14.153 4.842 -1.301 230 HG3 GLN 34 2HG GLN 34 -12.903 5.893 -0.634 231 HE21 GLN 34 1HE2 GLN 34 -12.288 7.706 -2.269 232 HE22 GLN 34 2HE2 GLN 34 -13.632 8.566 -2.931 233 H GLY 35 H GLY 35 -10.510 3.214 -3.557 234 HA2 GLY 35 1HA GLY 35 -9.456 2.321 -5.580 235 HA3 GLY 35 2HA GLY 35 -10.396 3.489 -6.496 236 H ASP 36 H ASP 36 -8.285 3.678 -3.628 237 HA ASP 36 HA ASP 36 -6.929 5.955 -4.906 238 HB2 ASP 36 1HB ASP 36 -6.778 5.259 -1.980 239 HB3 ASP 36 2HB ASP 36 -6.425 6.800 -2.756 240 H CYS 37 H CYS 37 -6.518 2.743 -3.768 241 HA CYS 37 HA CYS 37 -3.980 2.409 -2.992 242 HB2 CYS 37 1HB CYS 37 -5.722 0.832 -4.813 243 HB3 CYS 37 2HB CYS 37 -4.019 0.387 -4.750 244 H CYS 38 H CYS 38 -1.984 2.835 -3.685 245 HA CYS 38 HA CYS 38 -1.340 4.510 -5.725 246 HB2 CYS 38 1HB CYS 38 0.175 2.412 -4.257 247 HB3 CYS 38 2HB CYS 38 0.919 3.079 -5.706 248 H ILE 39 H ILE 39 0.017 3.997 -7.707 249 HA ILE 39 HA ILE 39 -1.528 2.598 -9.569 250 HB ILE 39 HB ILE 39 -0.023 4.330 -10.305 251 HG12 ILE 39 1HG1 ILE 39 1.314 2.967 -12.055 252 HG13 ILE 39 2HG1 ILE 39 0.540 1.560 -11.335 253 HG21 ILE 39 1HG2 ILE 39 2.133 4.510 -9.730 254 HG22 ILE 39 2HG2 ILE 39 1.756 3.292 -8.514 255 HG23 ILE 39 3HG2 ILE 39 2.460 2.808 -10.057 256 HD11 ILE 39 3HD1 ILE 39 -0.786 3.884 -12.701 257 HD12 ILE 39 1HD1 ILE 39 -0.730 2.205 -13.232 258 HD13 ILE 39 2HD1 ILE 39 -1.660 2.645 -11.800 259 H ASN 40 H ASN 40 1.240 1.593 -7.648 260 HA ASN 40 HA ASN 40 0.971 -1.118 -8.772 261 HB2 ASN 40 1HB ASN 40 3.346 -1.412 -7.849 262 HB3 ASN 40 2HB ASN 40 3.160 -0.400 -9.279 263 HD21 ASN 40 1HD2 ASN 40 3.292 -0.218 -5.748 264 HD22 ASN 40 2HD2 ASN 40 4.116 1.300 -5.684 265 H TYR 41 H TYR 41 -0.865 -0.697 -6.964 266 HA TYR 41 HA TYR 41 -0.024 -1.106 -4.264 267 HB2 TYR 41 1HB TYR 41 -2.091 -0.038 -4.427 268 HB3 TYR 41 2HB TYR 41 -2.669 -1.129 -5.683 269 HD1 TYR 41 HD1 TYR 41 -1.375 -1.527 -2.191 270 HD2 TYR 41 HD2 TYR 41 -4.432 -2.438 -5.006 271 HE1 TYR 41 HE1 TYR 41 -2.538 -2.865 -0.486 272 HE2 TYR 41 HE2 TYR 41 -5.605 -3.777 -3.309 273 HH TYR 41 HH TYR 41 -4.221 -4.275 -0.083 274 H SER 42 H SER 42 -1.944 -3.205 -6.422 275 HA SER 42 HA SER 42 -1.552 -5.521 -4.842 276 HB2 SER 42 1HB SER 42 -2.513 -6.734 -6.783 277 HB3 SER 42 2HB SER 42 -3.475 -5.328 -6.327 278 HG SER 42 HG SER 42 -1.488 -5.191 -8.331 279 H SER 43 H SER 43 0.102 -4.203 -7.652 280 HA SER 43 HA SER 43 1.645 -6.372 -8.409 281 HB2 SER 43 1HB SER 43 1.661 -4.401 -9.767 282 HB3 SER 43 2HB SER 43 2.279 -3.417 -8.440 283 HG SER 43 HG SER 43 3.612 -5.229 -10.094 284 H VAL 44 H VAL 44 2.065 -4.161 -5.723 285 HA VAL 44 HA VAL 44 4.621 -5.383 -5.009 286 HB VAL 44 HB VAL 44 3.131 -3.076 -3.749 287 HG11 VAL 44 1HG1 VAL 44 5.398 -2.711 -2.634 288 HG12 VAL 44 2HG1 VAL 44 4.395 -4.024 -2.012 289 HG13 VAL 44 3HG1 VAL 44 5.752 -4.381 -3.080 290 HG21 VAL 44 3HG2 VAL 44 4.346 -1.654 -5.022 291 HG22 VAL 44 1HG2 VAL 44 5.760 -2.707 -5.040 292 HG23 VAL 44 2HG2 VAL 44 4.403 -3.037 -6.117 293 H CYS 45 H CYS 45 1.435 -4.778 -3.538 294 HA CYS 45 HA CYS 45 1.987 -6.439 -1.269 295 HB2 CYS 45 1HB CYS 45 -0.505 -5.099 -2.308 296 HB3 CYS 45 2HB CYS 45 -0.532 -6.151 -0.896 297 H GLN 46 H GLN 46 -0.592 -6.747 -3.711 298 HA GLN 46 HA GLN 46 -0.708 -9.603 -3.252 299 HB2 GLN 46 1HB GLN 46 -2.285 -7.802 -5.096 300 HB3 GLN 46 2HB GLN 46 -2.581 -9.524 -4.896 301 HG2 GLN 46 1HG GLN 46 -2.979 -7.314 -2.911 302 HG3 GLN 46 2HG GLN 46 -4.163 -8.455 -3.545 303 HE21 GLN 46 1HE2 GLN 46 -4.632 -10.154 -2.343 304 HE22 GLN 46 2HE2 GLN 46 -3.695 -10.747 -1.018 305 H GLY 47 H GLY 47 1.369 -10.213 -4.037 306 HA2 GLY 47 1HA GLY 47 1.361 -10.987 -6.774 307 HA3 GLY 47 2HA GLY 47 2.455 -9.635 -6.518 308 H GLU 48 H GLU 48 2.666 -12.690 -7.079 309 HA GLU 48 HA GLU 48 3.984 -13.908 -4.937 310 HB2 GLU 48 1HB GLU 48 3.153 -14.951 -7.129 311 HB3 GLU 48 2HB GLU 48 4.678 -14.417 -7.822 312 HG2 GLU 48 1HG GLU 48 4.463 -16.201 -5.410 313 HG3 GLU 48 2HG GLU 48 4.649 -16.786 -7.062 314 H LYS 49 H LYS 49 5.547 -12.782 -3.905 315 HA LYS 49 HA LYS 49 7.827 -11.841 -5.517 316 HB2 LYS 49 1HB LYS 49 8.247 -10.156 -3.900 317 HB3 LYS 49 2HB LYS 49 6.516 -10.112 -4.212 318 HG2 LYS 49 1HG LYS 49 7.436 -11.809 -1.970 319 HG3 LYS 49 2HG LYS 49 7.539 -10.059 -1.760 320 HD2 LYS 49 1HD LYS 49 5.031 -11.411 -2.718 321 HD3 LYS 49 2HD LYS 49 5.387 -11.199 -1.002 322 HE2 LYS 49 1HE LYS 49 5.599 -8.829 -2.786 323 HE3 LYS 49 2HE LYS 49 3.989 -9.417 -2.375 324 HZ1 LYS 49 3HZ LYS 49 4.331 -8.012 -0.646 325 HZ2 LYS 49 1HZ LYS 49 6.013 -8.190 -0.663 326 HZ3 LYS 49 2HZ LYS 49 5.044 -9.391 0.027 327 H SER 50 H SER 50 9.937 -12.222 -4.746 328 HA SER 50 HA SER 50 10.140 -14.634 -3.114 329 HB2 SER 50 1HB SER 50 12.127 -13.198 -4.884 330 HB3 SER 50 2HB SER 50 12.542 -14.602 -3.900 331 HG SER 50 HG SER 50 11.897 -15.647 -5.616 332 H SER 51 H SER 51 10.984 -14.692 -1.119 333 HA SER 51 HA SER 51 11.319 -12.321 0.364 334 HB2 SER 51 1HB SER 51 10.647 -14.237 1.579 335 HB3 SER 51 2HB SER 51 11.972 -15.208 0.937 336 HG SER 51 HG SER 51 11.921 -13.740 3.158 337 H GLY 52 H GLY 52 12.876 -11.021 -0.609 338 HA2 GLY 52 1HA GLY 52 15.557 -11.468 0.249 339 HA3 GLY 52 2HA GLY 52 15.399 -11.737 -1.481 340 HA PRO 53 HA PRO 53 15.556 -7.090 -0.177 341 HB2 PRO 53 1HB PRO 53 18.227 -6.651 0.022 342 HB3 PRO 53 2HB PRO 53 17.219 -7.088 1.407 343 HG2 PRO 53 1HG PRO 53 18.996 -8.821 -0.266 344 HG3 PRO 53 2HG PRO 53 18.794 -8.796 1.495 345 HD2 PRO 53 1HD PRO 53 17.596 -10.643 -0.082 346 HD3 PRO 53 2HD PRO 53 16.858 -10.045 1.417 347 H SER 54 H SER 54 15.871 -5.519 -1.718 348 HA SER 54 HA SER 54 17.247 -6.361 -4.186 349 HB2 SER 54 1HB SER 54 14.612 -6.103 -4.107 350 HB3 SER 54 2HB SER 54 14.999 -4.392 -4.294 351 HG SER 54 HG SER 54 14.759 -5.989 -6.229 352 H SER 55 H SER 55 18.275 -4.718 -5.412 353 HA SER 55 HA SER 55 19.098 -2.425 -3.772 354 HB2 SER 55 1HB SER 55 21.120 -2.360 -5.042 355 HB3 SER 55 2HB SER 55 20.830 -4.057 -4.655 356 HG SER 55 HG SER 55 19.608 -3.494 -6.951 357 H GLY 56 H GLY 56 19.810 -0.484 -5.216 358 HA2 GLY 56 1HA GLY 56 17.436 0.406 -6.574 359 HA3 GLY 56 2HA GLY 56 18.908 1.335 -6.326 Start of MODEL 18 1 H1 GLY 1 H GLY 1 8.368 20.554 15.644 2 HA2 GLY 1 1HA GLY 1 7.609 20.464 12.907 3 HA3 GLY 1 2HA GLY 1 8.836 19.467 13.673 4 H SER 2 H SER 2 7.428 18.276 11.767 5 HA SER 2 HA SER 2 5.762 16.394 13.271 6 HB2 SER 2 1HB SER 2 4.944 17.950 10.840 7 HB3 SER 2 2HB SER 2 4.293 16.332 11.103 8 HG SER 2 HG SER 2 4.233 18.096 13.256 9 H SER 3 H SER 3 5.604 14.297 12.315 10 HA SER 3 HA SER 3 7.881 13.701 10.558 11 HB2 SER 3 1HB SER 3 7.671 12.604 12.853 12 HB3 SER 3 2HB SER 3 6.310 11.702 12.186 13 HG SER 3 HG SER 3 8.864 11.739 10.967 14 H GLY 4 H GLY 4 7.426 13.387 8.488 15 HA2 GLY 4 1HA GLY 4 4.765 12.959 7.545 16 HA3 GLY 4 2HA GLY 4 6.227 12.956 6.569 17 H SER 5 H SER 5 3.750 11.153 6.870 18 HA SER 5 HA SER 5 4.841 8.621 7.688 19 HB2 SER 5 1HB SER 5 2.674 7.709 6.873 20 HB3 SER 5 2HB SER 5 2.466 9.048 8.001 21 HG SER 5 HG SER 5 2.630 9.818 5.372 22 H SER 6 H SER 6 4.594 10.417 4.743 23 HA SER 6 HA SER 6 5.188 9.982 2.587 24 HB2 SER 6 1HB SER 6 7.075 7.983 3.854 25 HB3 SER 6 2HB SER 6 7.253 8.752 2.277 26 HG SER 6 HG SER 6 8.430 9.655 4.209 27 H GLY 7 H GLY 7 2.882 8.707 3.217 28 HA2 GLY 7 1HA GLY 7 3.097 5.907 2.452 29 HA3 GLY 7 2HA GLY 7 1.629 6.752 2.919 30 H TRP 8 H TRP 8 4.074 6.968 0.330 31 HA TRP 8 HA TRP 8 1.887 7.461 -1.569 32 HB2 TRP 8 1HB TRP 8 3.337 9.202 -1.933 33 HB3 TRP 8 2HB TRP 8 4.750 8.268 -1.455 34 HD1 TRP 8 HD1 TRP 8 6.331 8.084 -3.449 35 HE1 TRP 8 HE1 TRP 8 6.083 7.668 -5.977 36 HE3 TRP 8 HE3 TRP 8 1.230 7.892 -3.744 37 HZ2 TRP 8 HZ2 TRP 8 4.002 7.306 -7.848 38 HZ3 TRP 8 HZ3 TRP 8 0.190 7.507 -5.941 39 HH2 TRP 8 HH2 TRP 8 1.549 7.222 -7.949 40 H THR 9 H THR 9 4.847 5.551 -1.145 41 HA THR 9 HA THR 9 4.057 3.834 -3.382 42 HB THR 9 HB THR 9 6.285 2.860 -3.237 43 HG1 THR 9 HG1 THR 9 6.460 4.480 -0.914 44 HG21 THR 9 3HG2 THR 9 6.046 4.887 -4.563 45 HG22 THR 9 1HG2 THR 9 7.624 4.858 -3.776 46 HG23 THR 9 2HG2 THR 9 6.337 5.878 -3.133 47 H CYS 10 H CYS 10 2.845 2.125 -2.934 48 HA CYS 10 HA CYS 10 2.422 1.123 -0.327 49 HB2 CYS 10 1HB CYS 10 1.751 0.055 -3.066 50 HB3 CYS 10 2HB CYS 10 1.325 -0.812 -1.594 51 H ASN 11 H ASN 11 3.331 -0.519 0.786 52 HA ASN 11 HA ASN 11 5.402 -2.114 -0.568 53 HB2 ASN 11 1HB ASN 11 6.562 -0.467 0.759 54 HB3 ASN 11 2HB ASN 11 5.557 -0.822 2.162 55 HD21 ASN 11 1HD2 ASN 11 6.079 -2.488 3.472 56 HD22 ASN 11 2HD2 ASN 11 7.471 -3.489 3.258 57 H LYS 12 H LYS 12 5.937 -4.138 0.601 58 HA LYS 12 HA LYS 12 3.809 -5.806 0.937 59 HB2 LYS 12 1HB LYS 12 6.624 -5.864 1.897 60 HB3 LYS 12 2HB LYS 12 5.510 -7.033 2.596 61 HG2 LYS 12 1HG LYS 12 6.266 -8.253 0.842 62 HG3 LYS 12 2HG LYS 12 4.916 -7.438 0.049 63 HD2 LYS 12 1HD LYS 12 6.589 -7.048 -1.471 64 HD3 LYS 12 2HD LYS 12 6.740 -5.612 -0.457 65 HE2 LYS 12 1HE LYS 12 8.591 -6.537 0.716 66 HE3 LYS 12 2HE LYS 12 8.334 -8.126 -0.003 67 HZ1 LYS 12 3HZ LYS 12 10.156 -6.532 -0.926 68 HZ2 LYS 12 1HZ LYS 12 8.861 -5.842 -1.768 69 HZ3 LYS 12 2HZ LYS 12 9.235 -7.477 -1.985 70 H PHE 13 H PHE 13 5.642 -4.390 3.654 71 HA PHE 13 HA PHE 13 3.967 -5.237 5.697 72 HB2 PHE 13 1HB PHE 13 6.255 -4.135 5.894 73 HB3 PHE 13 2HB PHE 13 5.423 -2.594 5.714 74 HD1 PHE 13 HD1 PHE 13 5.113 -5.719 7.732 75 HD2 PHE 13 HD2 PHE 13 4.904 -1.469 7.638 76 HE1 PHE 13 HE1 PHE 13 4.654 -5.692 10.149 77 HE2 PHE 13 HE2 PHE 13 4.445 -1.435 10.055 78 HZ PHE 13 HZ PHE 13 4.320 -3.548 11.314 79 H ARG 14 H ARG 14 3.977 -2.037 4.121 80 HA ARG 14 HA ARG 14 1.931 -0.776 5.330 81 HB2 ARG 14 1HB ARG 14 2.312 -0.896 2.333 82 HB3 ARG 14 2HB ARG 14 1.437 0.353 3.208 83 HG2 ARG 14 1HG ARG 14 4.331 -0.216 3.744 84 HG3 ARG 14 2HG ARG 14 3.812 0.876 2.459 85 HD2 ARG 14 1HD ARG 14 2.361 1.887 4.442 86 HD3 ARG 14 2HD ARG 14 3.662 1.191 5.406 87 HE ARG 14 HE ARG 14 4.509 2.837 3.182 88 HH11 ARG 14 1HH1 ARG 14 3.731 2.686 6.572 89 HH12 ARG 14 2HH1 ARG 14 4.626 4.114 6.974 90 HH21 ARG 14 1HH2 ARG 14 5.691 4.718 3.699 91 HH22 ARG 14 2HH2 ARG 14 5.740 5.269 5.340 92 H CYS 15 H CYS 15 1.533 -3.160 2.720 93 HA CYS 15 HA CYS 15 -1.067 -3.210 2.179 94 HB2 CYS 15 1HB CYS 15 0.407 -5.717 3.010 95 HB3 CYS 15 2HB CYS 15 -0.980 -5.621 1.930 96 H GLY 16 H GLY 16 -2.440 -2.394 3.736 97 HA2 GLY 16 1HA GLY 16 -4.205 -3.192 5.192 98 HA3 GLY 16 2HA GLY 16 -3.026 -4.248 5.954 99 H GLU 17 H GLU 17 -2.939 -0.775 5.183 100 HA GLU 17 HA GLU 17 -2.488 -0.263 8.050 101 HB2 GLU 17 1HB GLU 17 -1.088 1.652 7.384 102 HB3 GLU 17 2HB GLU 17 -0.447 0.128 6.788 103 HG2 GLU 17 1HG GLU 17 -1.234 0.580 4.580 104 HG3 GLU 17 2HG GLU 17 -2.115 2.002 5.132 105 H LYS 18 H LYS 18 -3.238 1.787 8.860 106 HA LYS 18 HA LYS 18 -5.294 3.089 7.217 107 HB2 LYS 18 1HB LYS 18 -5.630 2.033 10.024 108 HB3 LYS 18 2HB LYS 18 -6.721 3.214 9.309 109 HG2 LYS 18 1HG LYS 18 -6.206 0.700 7.815 110 HG3 LYS 18 2HG LYS 18 -7.236 0.632 9.247 111 HD2 LYS 18 1HD LYS 18 -7.688 2.671 7.092 112 HD3 LYS 18 2HD LYS 18 -8.352 1.040 6.967 113 HE2 LYS 18 1HE LYS 18 -8.810 2.873 9.315 114 HE3 LYS 18 2HE LYS 18 -9.910 2.740 7.944 115 HZ1 LYS 18 3HZ LYS 18 -10.865 1.140 9.149 116 HZ2 LYS 18 1HZ LYS 18 -9.530 0.956 10.171 117 HZ3 LYS 18 2HZ LYS 18 -9.565 0.167 8.675 118 H ARG 19 H ARG 19 -3.638 4.721 6.980 119 HA ARG 19 HA ARG 19 -3.937 6.848 8.819 120 HB2 ARG 19 1HB ARG 19 -1.673 7.020 9.672 121 HB3 ARG 19 2HB ARG 19 -2.363 5.470 10.133 122 HG2 ARG 19 1HG ARG 19 -1.173 4.596 7.999 123 HG3 ARG 19 2HG ARG 19 -0.213 6.068 8.153 124 HD2 ARG 19 1HD ARG 19 1.013 4.461 9.324 125 HD3 ARG 19 2HD ARG 19 0.156 5.352 10.581 126 HE ARG 19 HE ARG 19 -1.358 3.109 9.767 127 HH11 ARG 19 1HH1 ARG 19 1.477 3.979 11.592 128 HH12 ARG 19 2HH1 ARG 19 1.391 2.597 12.632 129 HH21 ARG 19 1HH2 ARG 19 -1.483 1.285 11.131 130 HH22 ARG 19 2HH2 ARG 19 -0.292 1.064 12.370 131 H LEU 20 H LEU 20 -4.148 8.403 7.349 132 HA LEU 20 HA LEU 20 -1.975 9.297 5.791 133 HB2 LEU 20 1HB LEU 20 -2.543 8.712 3.618 134 HB3 LEU 20 2HB LEU 20 -2.796 7.226 4.530 135 HG LEU 20 HG LEU 20 -5.042 9.103 3.834 136 HD11 LEU 20 1HD1 LEU 20 -4.747 6.612 2.302 137 HD12 LEU 20 2HD1 LEU 20 -3.573 7.874 1.930 138 HD13 LEU 20 3HD1 LEU 20 -5.298 8.208 1.789 139 HD21 LEU 20 3HD2 LEU 20 -6.270 7.706 5.039 140 HD22 LEU 20 1HD2 LEU 20 -4.819 6.795 5.457 141 HD23 LEU 20 2HD2 LEU 20 -5.755 6.355 4.028 142 H THR 21 H THR 21 -2.458 11.235 4.605 143 HA THR 21 HA THR 21 -5.118 12.376 5.073 144 HB THR 21 HB THR 21 -4.022 14.555 5.715 145 HG1 THR 21 HG1 THR 21 -1.763 12.865 6.138 146 HG21 THR 21 3HG2 THR 21 -5.040 13.484 7.504 147 HG22 THR 21 1HG2 THR 21 -3.379 13.654 8.069 148 HG23 THR 21 2HG2 THR 21 -3.941 12.107 7.437 149 H ARG 22 H ARG 22 -5.785 12.653 3.028 150 HA ARG 22 HA ARG 22 -5.730 13.140 0.782 151 HB2 ARG 22 1HB ARG 22 -6.080 15.325 1.993 152 HB3 ARG 22 2HB ARG 22 -4.362 15.636 1.789 153 HG2 ARG 22 1HG ARG 22 -4.712 15.407 -0.684 154 HG3 ARG 22 2HG ARG 22 -6.447 15.367 -0.359 155 HD2 ARG 22 1HD ARG 22 -6.072 17.559 0.905 156 HD3 ARG 22 2HD ARG 22 -4.499 17.605 0.109 157 HE ARG 22 HE ARG 22 -7.041 18.181 -1.066 158 HH11 ARG 22 1HH1 ARG 22 -3.842 16.969 -1.717 159 HH12 ARG 22 2HH1 ARG 22 -3.876 17.410 -3.393 160 HH21 ARG 22 1HH2 ARG 22 -7.097 18.765 -3.270 161 HH22 ARG 22 2HH2 ARG 22 -5.727 18.431 -4.275 162 H SER 23 H SER 23 -3.695 11.432 1.224 163 HA SER 23 HA SER 23 -1.252 12.579 0.127 164 HB2 SER 23 1HB SER 23 -0.215 10.462 0.638 165 HB3 SER 23 2HB SER 23 -1.189 10.941 2.028 166 HG SER 23 HG SER 23 -2.097 9.185 -0.005 167 H LEU 24 H LEU 24 -0.138 11.372 -1.644 168 HA LEU 24 HA LEU 24 -1.382 11.480 -4.022 169 HB2 LEU 24 1HB LEU 24 0.851 9.810 -3.010 170 HB3 LEU 24 2HB LEU 24 0.186 9.404 -4.591 171 HG LEU 24 HG LEU 24 0.959 12.231 -4.085 172 HD11 LEU 24 1HD1 LEU 24 3.035 10.243 -4.921 173 HD12 LEU 24 2HD1 LEU 24 2.786 10.637 -3.221 174 HD13 LEU 24 3HD1 LEU 24 3.242 11.903 -4.361 175 HD21 LEU 24 3HD2 LEU 24 1.271 12.300 -6.386 176 HD22 LEU 24 1HD2 LEU 24 -0.108 11.215 -6.202 177 HD23 LEU 24 2HD2 LEU 24 1.500 10.555 -6.509 178 H CYS 25 H CYS 25 -1.253 8.562 -1.990 179 HA CYS 25 HA CYS 25 -3.843 7.729 -2.918 180 HB2 CYS 25 1HB CYS 25 -2.915 5.448 -3.652 181 HB3 CYS 25 2HB CYS 25 -2.734 6.797 -4.768 182 H ALA 26 H ALA 26 -4.232 5.360 -2.027 183 HA ALA 26 HA ALA 26 -3.087 5.256 0.689 184 HB1 ALA 26 3HB ALA 26 -5.873 4.375 -0.034 185 HB2 ALA 26 1HB ALA 26 -5.183 4.596 1.575 186 HB3 ALA 26 2HB ALA 26 -5.491 5.997 0.547 187 H CYS 27 H CYS 27 -2.821 3.183 1.629 188 HA CYS 27 HA CYS 27 -2.754 0.982 -0.331 189 HB2 CYS 27 1HB CYS 27 -0.876 1.452 1.994 190 HB3 CYS 27 2HB CYS 27 -0.805 0.096 0.873 191 H SER 28 H SER 28 -5.053 1.422 1.108 192 HA SER 28 HA SER 28 -5.016 -0.816 3.025 193 HB2 SER 28 1HB SER 28 -6.420 0.306 4.506 194 HB3 SER 28 2HB SER 28 -5.388 1.613 3.928 195 HG SER 28 HG SER 28 -7.143 2.538 3.276 196 H ASP 29 H ASP 29 -7.231 -1.787 3.329 197 HA ASP 29 HA ASP 29 -8.196 -2.788 0.918 198 HB2 ASP 29 1HB ASP 29 -9.360 -2.714 3.692 199 HB3 ASP 29 2HB ASP 29 -10.228 -3.461 2.354 200 H ASP 30 H ASP 30 -9.388 -0.124 2.911 201 HA ASP 30 HA ASP 30 -11.797 0.432 1.738 202 HB2 ASP 30 1HB ASP 30 -10.567 1.654 3.653 203 HB3 ASP 30 2HB ASP 30 -9.864 2.646 2.378 204 H CYS 31 H CYS 31 -8.591 1.048 0.464 205 HA CYS 31 HA CYS 31 -9.297 2.783 -1.631 206 HB2 CYS 31 1HB CYS 31 -7.124 2.553 -2.359 207 HB3 CYS 31 2HB CYS 31 -6.953 2.018 -0.692 208 H LYS 32 H LYS 32 -9.125 -0.744 -1.458 209 HA LYS 32 HA LYS 32 -9.472 -1.412 -4.108 210 HB2 LYS 32 1HB LYS 32 -10.411 -2.717 -1.568 211 HB3 LYS 32 2HB LYS 32 -10.784 -3.422 -3.136 212 HG2 LYS 32 1HG LYS 32 -7.959 -2.712 -2.565 213 HG3 LYS 32 2HG LYS 32 -8.646 -4.126 -1.762 214 HD2 LYS 32 1HD LYS 32 -9.332 -5.000 -3.973 215 HD3 LYS 32 2HD LYS 32 -8.539 -3.620 -4.736 216 HE2 LYS 32 1HE LYS 32 -6.444 -4.386 -3.458 217 HE3 LYS 32 2HE LYS 32 -7.310 -5.905 -3.229 218 HZ1 LYS 32 3HZ LYS 32 -7.057 -6.471 -5.373 219 HZ2 LYS 32 1HZ LYS 32 -5.764 -5.380 -5.334 220 HZ3 LYS 32 2HZ LYS 32 -7.264 -4.892 -5.945 221 H ASP 33 H ASP 33 -11.903 -0.415 -1.755 222 HA ASP 33 HA ASP 33 -14.083 -0.797 -3.609 223 HB2 ASP 33 1HB ASP 33 -13.949 0.450 -0.859 224 HB3 ASP 33 2HB ASP 33 -15.435 0.293 -1.791 225 H GLN 34 H GLN 34 -12.742 2.052 -1.928 226 HA GLN 34 HA GLN 34 -14.149 3.984 -3.351 227 HB2 GLN 34 1HB GLN 34 -11.556 4.001 -1.854 228 HB3 GLN 34 2HB GLN 34 -12.042 5.424 -2.763 229 HG2 GLN 34 1HG GLN 34 -14.259 5.221 -1.469 230 HG3 GLN 34 2HG GLN 34 -13.346 4.176 -0.382 231 HE21 GLN 34 1HE2 GLN 34 -14.356 6.311 0.753 232 HE22 GLN 34 2HE2 GLN 34 -13.161 7.524 1.043 233 H GLY 35 H GLY 35 -10.770 2.956 -3.895 234 HA2 GLY 35 1HA GLY 35 -10.085 2.385 -6.171 235 HA3 GLY 35 2HA GLY 35 -11.143 3.669 -6.737 236 H ASP 36 H ASP 36 -8.780 3.687 -4.092 237 HA ASP 36 HA ASP 36 -7.236 5.700 -5.585 238 HB2 ASP 36 1HB ASP 36 -8.551 6.883 -3.921 239 HB3 ASP 36 2HB ASP 36 -7.994 5.789 -2.659 240 H CYS 37 H CYS 37 -6.633 2.979 -5.540 241 HA CYS 37 HA CYS 37 -4.568 2.563 -3.543 242 HB2 CYS 37 1HB CYS 37 -5.088 0.736 -5.871 243 HB3 CYS 37 2HB CYS 37 -4.487 0.336 -4.266 244 H CYS 38 H CYS 38 -2.409 2.663 -3.873 245 HA CYS 38 HA CYS 38 -1.369 4.236 -5.934 246 HB2 CYS 38 1HB CYS 38 0.126 2.223 -4.240 247 HB3 CYS 38 2HB CYS 38 0.831 3.583 -5.110 248 H ILE 39 H ILE 39 -0.375 3.800 -7.854 249 HA ILE 39 HA ILE 39 -1.173 1.766 -9.465 250 HB ILE 39 HB ILE 39 0.029 3.661 -10.360 251 HG12 ILE 39 1HG1 ILE 39 1.630 1.158 -10.920 252 HG13 ILE 39 2HG1 ILE 39 0.035 1.475 -11.596 253 HG21 ILE 39 1HG2 ILE 39 2.603 3.580 -10.140 254 HG22 ILE 39 2HG2 ILE 39 1.653 4.226 -8.804 255 HG23 ILE 39 3HG2 ILE 39 2.287 2.583 -8.720 256 HD11 ILE 39 3HD1 ILE 39 2.640 2.799 -12.186 257 HD12 ILE 39 1HD1 ILE 39 1.437 2.138 -13.293 258 HD13 ILE 39 2HD1 ILE 39 1.127 3.661 -12.460 259 H ASN 40 H ASN 40 1.344 1.657 -7.055 260 HA ASN 40 HA ASN 40 2.028 -1.084 -7.869 261 HB2 ASN 40 1HB ASN 40 4.044 -0.816 -6.487 262 HB3 ASN 40 2HB ASN 40 3.935 0.448 -7.708 263 HD21 ASN 40 1HD2 ASN 40 5.130 0.140 -4.895 264 HD22 ASN 40 2HD2 ASN 40 4.650 1.598 -4.102 265 H TYR 41 H TYR 41 -0.419 -0.660 -6.580 266 HA TYR 41 HA TYR 41 -0.058 -1.335 -3.778 267 HB2 TYR 41 1HB TYR 41 -1.862 0.190 -4.364 268 HB3 TYR 41 2HB TYR 41 -2.557 -1.007 -5.451 269 HD1 TYR 41 HD2 TYR 41 -3.129 -3.325 -4.298 270 HD2 TYR 41 HD1 TYR 41 -2.743 0.377 -2.237 271 HE1 TYR 41 HE2 TYR 41 -4.490 -4.217 -2.454 272 HE2 TYR 41 HE1 TYR 41 -4.102 -0.505 -0.387 273 HH TYR 41 HH TYR 41 -5.929 -2.376 -0.174 274 H SER 42 H SER 42 -1.837 -2.804 -6.502 275 HA SER 42 HA SER 42 -2.075 -5.325 -5.192 276 HB2 SER 42 1HB SER 42 -3.209 -6.061 -7.127 277 HB3 SER 42 2HB SER 42 -3.600 -4.345 -7.016 278 HG SER 42 HG SER 42 -2.983 -4.915 -9.131 279 H SER 43 H SER 43 0.063 -4.014 -7.675 280 HA SER 43 HA SER 43 1.365 -6.404 -8.366 281 HB2 SER 43 1HB SER 43 2.419 -3.565 -8.417 282 HB3 SER 43 2HB SER 43 3.167 -4.939 -9.230 283 HG SER 43 HG SER 43 1.112 -3.396 -10.039 284 H VAL 44 H VAL 44 1.919 -4.095 -5.774 285 HA VAL 44 HA VAL 44 4.343 -5.423 -4.904 286 HB VAL 44 HB VAL 44 2.776 -3.195 -3.596 287 HG11 VAL 44 1HG1 VAL 44 5.463 -4.405 -2.980 288 HG12 VAL 44 2HG1 VAL 44 4.954 -2.825 -2.382 289 HG13 VAL 44 3HG1 VAL 44 4.060 -4.273 -1.918 290 HG21 VAL 44 3HG2 VAL 44 4.321 -1.676 -4.560 291 HG22 VAL 44 1HG2 VAL 44 5.359 -2.986 -5.126 292 HG23 VAL 44 2HG2 VAL 44 3.779 -2.729 -5.867 293 H CYS 45 H CYS 45 1.100 -4.841 -3.542 294 HA CYS 45 HA CYS 45 1.501 -6.551 -1.305 295 HB2 CYS 45 1HB CYS 45 -0.993 -5.386 -2.548 296 HB3 CYS 45 2HB CYS 45 -1.011 -6.356 -1.079 297 H GLN 46 H GLN 46 -0.469 -6.928 -4.254 298 HA GLN 46 HA GLN 46 -0.633 -9.803 -3.733 299 HB2 GLN 46 1HB GLN 46 -2.109 -7.995 -5.648 300 HB3 GLN 46 2HB GLN 46 -2.275 -9.746 -5.657 301 HG2 GLN 46 1HG GLN 46 -2.844 -9.420 -3.135 302 HG3 GLN 46 2HG GLN 46 -3.196 -7.766 -3.632 303 HE21 GLN 46 1HE2 GLN 46 -5.174 -7.367 -4.308 304 HE22 GLN 46 2HE2 GLN 46 -6.311 -8.539 -4.873 305 H GLY 47 H GLY 47 1.577 -10.238 -4.278 306 HA2 GLY 47 1HA GLY 47 2.009 -10.299 -7.199 307 HA3 GLY 47 2HA GLY 47 3.299 -9.849 -6.093 308 H GLU 48 H GLU 48 2.438 -12.241 -8.007 309 HA GLU 48 HA GLU 48 3.417 -14.325 -6.166 310 HB2 GLU 48 1HB GLU 48 1.004 -14.553 -6.923 311 HB3 GLU 48 2HB GLU 48 1.629 -14.825 -8.544 312 HG2 GLU 48 1HG GLU 48 1.093 -16.911 -7.377 313 HG3 GLU 48 2HG GLU 48 2.797 -16.800 -7.812 314 H LYS 49 H LYS 49 3.248 -13.319 -9.570 315 HA LYS 49 HA LYS 49 5.246 -15.117 -10.475 316 HB2 LYS 49 1HB LYS 49 3.449 -13.796 -11.816 317 HB3 LYS 49 2HB LYS 49 4.644 -12.506 -11.830 318 HG2 LYS 49 1HG LYS 49 5.332 -15.271 -12.752 319 HG3 LYS 49 2HG LYS 49 4.557 -14.105 -13.827 320 HD2 LYS 49 1HD LYS 49 7.078 -13.479 -12.309 321 HD3 LYS 49 2HD LYS 49 7.095 -14.223 -13.909 322 HE2 LYS 49 1HE LYS 49 5.513 -11.732 -13.462 323 HE3 LYS 49 2HE LYS 49 7.262 -11.624 -13.647 324 HZ1 LYS 49 3HZ LYS 49 5.376 -12.834 -15.595 325 HZ2 LYS 49 1HZ LYS 49 7.057 -12.785 -15.770 326 HZ3 LYS 49 2HZ LYS 49 6.164 -11.348 -15.765 327 H SER 50 H SER 50 6.929 -14.842 -8.915 328 HA SER 50 HA SER 50 8.246 -12.636 -8.094 329 HB2 SER 50 1HB SER 50 9.222 -15.367 -8.831 330 HB3 SER 50 2HB SER 50 10.404 -14.125 -8.420 331 HG SER 50 HG SER 50 9.958 -14.824 -6.465 332 H SER 51 H SER 51 9.618 -11.123 -8.879 333 HA SER 51 HA SER 51 10.562 -11.383 -11.645 334 HB2 SER 51 1HB SER 51 8.393 -9.972 -11.375 335 HB3 SER 51 2HB SER 51 9.463 -8.757 -10.676 336 HG SER 51 HG SER 51 10.606 -8.695 -12.597 337 H GLY 52 H GLY 52 12.615 -10.745 -11.931 338 HA2 GLY 52 1HA GLY 52 14.273 -8.947 -11.377 339 HA3 GLY 52 2HA GLY 52 13.896 -9.297 -9.697 340 HA PRO 53 HA PRO 53 17.656 -11.736 -10.879 341 HB2 PRO 53 1HB PRO 53 19.065 -11.090 -8.650 342 HB3 PRO 53 2HB PRO 53 19.059 -10.089 -10.106 343 HG2 PRO 53 1HG PRO 53 17.493 -9.762 -7.575 344 HG3 PRO 53 2HG PRO 53 18.331 -8.531 -8.540 345 HD2 PRO 53 1HD PRO 53 15.655 -8.917 -8.678 346 HD3 PRO 53 2HD PRO 53 16.616 -8.384 -10.073 347 H SER 54 H SER 54 15.178 -11.921 -8.721 348 HA SER 54 HA SER 54 15.720 -13.435 -6.598 349 HB2 SER 54 1HB SER 54 13.432 -12.914 -7.782 350 HB3 SER 54 2HB SER 54 13.634 -14.533 -8.452 351 HG SER 54 HG SER 54 13.202 -15.360 -6.563 352 H SER 55 H SER 55 17.248 -14.927 -6.351 353 HA SER 55 HA SER 55 17.757 -16.864 -8.476 354 HB2 SER 55 1HB SER 55 19.244 -16.111 -5.961 355 HB3 SER 55 2HB SER 55 19.682 -17.525 -6.920 356 HG SER 55 HG SER 55 19.390 -15.038 -8.186 357 H GLY 56 H GLY 56 17.991 -19.151 -7.959 358 HA2 GLY 56 1HA GLY 56 16.805 -20.145 -5.521 359 HA3 GLY 56 2HA GLY 56 15.796 -20.368 -6.942 Start of MODEL 19 1 H1 GLY 1 H GLY 1 19.406 8.372 5.017 2 HA2 GLY 1 1HA GLY 1 17.688 8.995 3.563 3 HA3 GLY 1 2HA GLY 1 18.042 7.584 2.578 4 H SER 2 H SER 2 17.103 8.032 5.987 5 HA SER 2 HA SER 2 15.704 5.763 6.416 6 HB2 SER 2 1HB SER 2 16.067 7.838 7.953 7 HB3 SER 2 2HB SER 2 14.495 8.352 7.342 8 HG SER 2 HG SER 2 13.624 6.403 8.121 9 H SER 3 H SER 3 14.393 8.694 4.898 10 HA SER 3 HA SER 3 12.089 7.098 3.987 11 HB2 SER 3 1HB SER 3 12.341 10.062 4.522 12 HB3 SER 3 2HB SER 3 10.962 9.344 3.692 13 HG SER 3 HG SER 3 11.555 9.398 6.348 14 H GLY 4 H GLY 4 14.157 9.829 2.987 15 HA2 GLY 4 1HA GLY 4 15.253 10.064 0.932 16 HA3 GLY 4 2HA GLY 4 14.359 8.680 0.322 17 H SER 5 H SER 5 13.084 11.617 1.832 18 HA SER 5 HA SER 5 11.335 12.940 1.133 19 HB2 SER 5 1HB SER 5 13.331 14.068 0.234 20 HB3 SER 5 2HB SER 5 13.187 13.136 -1.255 21 HG SER 5 HG SER 5 11.722 14.482 -1.914 22 H SER 6 H SER 6 10.669 10.299 0.690 23 HA SER 6 HA SER 6 8.953 10.564 -1.660 24 HB2 SER 6 1HB SER 6 9.517 8.439 -2.571 25 HB3 SER 6 2HB SER 6 11.052 9.246 -2.253 26 HG SER 6 HG SER 6 11.051 8.062 -0.216 27 H GLY 7 H GLY 7 7.227 8.866 -1.687 28 HA2 GLY 7 1HA GLY 7 6.594 7.178 0.405 29 HA3 GLY 7 2HA GLY 7 5.975 8.755 0.871 30 H TRP 8 H TRP 8 6.119 7.293 -2.353 31 HA TRP 8 HA TRP 8 3.180 7.201 -2.374 32 HB2 TRP 8 1HB TRP 8 4.990 8.386 -4.482 33 HB3 TRP 8 2HB TRP 8 3.305 7.970 -4.783 34 HD1 TRP 8 HD1 TRP 8 5.137 10.925 -4.246 35 HE1 TRP 8 HE1 TRP 8 3.796 12.749 -3.022 36 HE3 TRP 8 HE3 TRP 8 1.373 8.029 -2.352 37 HZ2 TRP 8 HZ2 TRP 8 1.453 12.934 -1.458 38 HZ3 TRP 8 HZ3 TRP 8 -0.379 9.108 -1.002 39 HH2 TRP 8 HH2 TRP 8 -0.338 11.509 -0.566 40 H THR 9 H THR 9 4.975 5.051 -1.912 41 HA THR 9 HA THR 9 4.310 3.380 -4.229 42 HB THR 9 HB THR 9 6.480 2.219 -4.081 43 HG1 THR 9 HG1 THR 9 7.635 4.290 -2.623 44 HG21 THR 9 3HG2 THR 9 7.884 4.058 -5.020 45 HG22 THR 9 1HG2 THR 9 6.619 5.196 -4.559 46 HG23 THR 9 2HG2 THR 9 6.284 3.937 -5.749 47 H CYS 10 H CYS 10 3.139 1.708 -3.582 48 HA CYS 10 HA CYS 10 2.756 1.053 -0.855 49 HB2 CYS 10 1HB CYS 10 1.934 -0.225 -3.448 50 HB3 CYS 10 2HB CYS 10 1.624 -1.031 -1.913 51 H ASN 11 H ASN 11 3.578 -0.548 0.405 52 HA ASN 11 HA ASN 11 5.587 -2.332 -0.793 53 HB2 ASN 11 1HB ASN 11 5.890 -0.436 1.481 54 HB3 ASN 11 2HB ASN 11 6.677 -2.005 1.628 55 HD21 ASN 11 1HD2 ASN 11 8.212 0.196 1.610 56 HD22 ASN 11 2HD2 ASN 11 9.081 0.324 0.122 57 H LYS 12 H LYS 12 6.225 -4.067 0.926 58 HA LYS 12 HA LYS 12 4.059 -5.719 1.370 59 HB2 LYS 12 1HB LYS 12 6.714 -5.619 2.808 60 HB3 LYS 12 2HB LYS 12 5.557 -6.932 2.983 61 HG2 LYS 12 1HG LYS 12 6.648 -6.124 0.308 62 HG3 LYS 12 2HG LYS 12 7.481 -7.274 1.358 63 HD2 LYS 12 1HD LYS 12 5.473 -8.690 1.377 64 HD3 LYS 12 2HD LYS 12 4.664 -7.546 0.303 65 HE2 LYS 12 1HE LYS 12 7.259 -8.895 -0.404 66 HE3 LYS 12 2HE LYS 12 5.687 -9.593 -0.787 67 HZ1 LYS 12 3HZ LYS 12 6.261 -8.429 -2.691 68 HZ2 LYS 12 1HZ LYS 12 6.909 -7.121 -1.836 69 HZ3 LYS 12 2HZ LYS 12 5.234 -7.349 -1.892 70 H PHE 13 H PHE 13 5.875 -4.217 4.044 71 HA PHE 13 HA PHE 13 4.076 -4.637 6.057 72 HB2 PHE 13 1HB PHE 13 6.424 -3.516 6.091 73 HB3 PHE 13 2HB PHE 13 5.528 -2.014 5.897 74 HD1 PHE 13 HD2 PHE 13 3.679 -1.527 7.610 75 HD2 PHE 13 HD1 PHE 13 6.734 -4.432 8.195 76 HE1 PHE 13 HE2 PHE 13 3.283 -1.451 10.037 77 HE2 PHE 13 HE1 PHE 13 6.341 -4.362 10.623 78 HZ PHE 13 HZ PHE 13 4.615 -2.870 11.547 79 H ARG 14 H ARG 14 4.229 -1.729 4.003 80 HA ARG 14 HA ARG 14 2.202 -0.228 4.985 81 HB2 ARG 14 1HB ARG 14 2.655 -0.767 2.044 82 HB3 ARG 14 2HB ARG 14 1.829 0.627 2.724 83 HG2 ARG 14 1HG ARG 14 4.616 0.087 3.596 84 HG3 ARG 14 2HG ARG 14 4.350 0.738 1.978 85 HD2 ARG 14 1HD ARG 14 3.141 1.963 4.443 86 HD3 ARG 14 2HD ARG 14 4.729 2.425 3.833 87 HE ARG 14 HE ARG 14 2.158 3.076 2.680 88 HH11 ARG 14 1HH1 ARG 14 5.600 2.876 2.201 89 HH12 ARG 14 2HH1 ARG 14 5.614 4.000 0.883 90 HH21 ARG 14 1HH2 ARG 14 2.163 4.558 0.946 91 HH22 ARG 14 2HH2 ARG 14 3.658 4.958 0.171 92 H CYS 15 H CYS 15 1.788 -2.889 2.653 93 HA CYS 15 HA CYS 15 -0.805 -2.923 2.074 94 HB2 CYS 15 1HB CYS 15 0.598 -5.365 3.175 95 HB3 CYS 15 2HB CYS 15 -0.784 -5.354 2.085 96 H GLY 16 H GLY 16 -2.204 -1.943 3.498 97 HA2 GLY 16 1HA GLY 16 -4.001 -2.668 5.003 98 HA3 GLY 16 2HA GLY 16 -2.768 -3.475 5.960 99 H GLU 17 H GLU 17 -2.682 -0.220 4.567 100 HA GLU 17 HA GLU 17 -2.115 0.837 7.230 101 HB2 GLU 17 1HB GLU 17 -1.435 2.884 6.045 102 HB3 GLU 17 2HB GLU 17 -0.578 1.467 5.454 103 HG2 GLU 17 1HG GLU 17 -1.919 1.384 3.485 104 HG3 GLU 17 2HG GLU 17 -3.001 2.630 4.106 105 H LYS 18 H LYS 18 -3.137 2.834 7.938 106 HA LYS 18 HA LYS 18 -5.781 3.338 6.774 107 HB2 LYS 18 1HB LYS 18 -5.301 2.962 9.735 108 HB3 LYS 18 2HB LYS 18 -6.838 3.324 8.962 109 HG2 LYS 18 1HG LYS 18 -6.989 1.185 8.012 110 HG3 LYS 18 2HG LYS 18 -5.287 0.836 8.325 111 HD2 LYS 18 1HD LYS 18 -7.042 1.443 10.648 112 HD3 LYS 18 2HD LYS 18 -7.223 -0.127 9.861 113 HE2 LYS 18 1HE LYS 18 -4.512 0.884 10.629 114 HE3 LYS 18 2HE LYS 18 -5.556 0.131 11.834 115 HZ1 LYS 18 3HZ LYS 18 -5.396 -1.388 9.412 116 HZ2 LYS 18 1HZ LYS 18 -5.140 -1.878 11.012 117 HZ3 LYS 18 2HZ LYS 18 -3.880 -1.173 10.132 118 H ARG 19 H ARG 19 -6.791 5.275 8.166 119 HA ARG 19 HA ARG 19 -6.717 7.513 8.560 120 HB2 ARG 19 1HB ARG 19 -4.015 6.724 9.651 121 HB3 ARG 19 2HB ARG 19 -4.676 8.348 9.796 122 HG2 ARG 19 1HG ARG 19 -5.335 7.504 11.795 123 HG3 ARG 19 2HG ARG 19 -6.727 7.027 10.821 124 HD2 ARG 19 1HD ARG 19 -5.973 5.175 12.202 125 HD3 ARG 19 2HD ARG 19 -5.731 4.813 10.493 126 HE ARG 19 HE ARG 19 -3.339 5.789 11.181 127 HH11 ARG 19 1HH1 ARG 19 -5.389 3.424 12.707 128 HH12 ARG 19 2HH1 ARG 19 -4.071 2.534 13.394 129 HH21 ARG 19 1HH2 ARG 19 -1.596 4.625 12.081 130 HH22 ARG 19 2HH2 ARG 19 -1.914 3.218 13.039 131 H LEU 20 H LEU 20 -6.426 7.095 5.994 132 HA LEU 20 HA LEU 20 -4.068 8.618 5.117 133 HB2 LEU 20 1HB LEU 20 -5.796 6.568 3.811 134 HB3 LEU 20 2HB LEU 20 -4.958 7.751 2.809 135 HG LEU 20 HG LEU 20 -3.736 5.634 2.956 136 HD11 LEU 20 1HD1 LEU 20 -2.547 7.789 2.674 137 HD12 LEU 20 2HD1 LEU 20 -1.576 6.551 3.471 138 HD13 LEU 20 3HD1 LEU 20 -2.306 7.845 4.421 139 HD21 LEU 20 3HD2 LEU 20 -2.603 5.156 5.182 140 HD22 LEU 20 1HD2 LEU 20 -4.319 4.762 5.061 141 HD23 LEU 20 2HD2 LEU 20 -3.806 6.226 5.902 142 H THR 21 H THR 21 -4.433 10.707 4.821 143 HA THR 21 HA THR 21 -7.045 11.537 3.732 144 HB THR 21 HB THR 21 -6.711 12.287 6.068 145 HG1 THR 21 HG1 THR 21 -6.520 14.691 4.732 146 HG21 THR 21 3HG2 THR 21 -4.168 13.245 4.924 147 HG22 THR 21 1HG2 THR 21 -4.553 12.745 6.570 148 HG23 THR 21 2HG2 THR 21 -4.982 14.364 6.017 149 H ARG 22 H ARG 22 -7.074 13.182 2.185 150 HA ARG 22 HA ARG 22 -6.247 13.883 0.128 151 HB2 ARG 22 1HB ARG 22 -4.594 15.798 0.580 152 HB3 ARG 22 2HB ARG 22 -6.192 15.907 1.305 153 HG2 ARG 22 1HG ARG 22 -4.811 16.534 3.039 154 HG3 ARG 22 2HG ARG 22 -5.069 14.819 3.364 155 HD2 ARG 22 1HD ARG 22 -2.727 15.379 3.638 156 HD3 ARG 22 2HD ARG 22 -2.939 14.303 2.256 157 HE ARG 22 HE ARG 22 -2.976 16.701 1.079 158 HH11 ARG 22 1HH1 ARG 22 -0.827 15.341 3.457 159 HH12 ARG 22 2HH1 ARG 22 0.546 16.255 2.928 160 HH21 ARG 22 1HH2 ARG 22 -1.174 17.909 0.374 161 HH22 ARG 22 2HH2 ARG 22 0.348 17.716 1.175 162 H SER 23 H SER 23 -5.024 11.432 0.768 163 HA SER 23 HA SER 23 -2.198 11.822 0.093 164 HB2 SER 23 1HB SER 23 -3.015 10.289 2.010 165 HB3 SER 23 2HB SER 23 -3.469 9.168 0.726 166 HG SER 23 HG SER 23 -1.456 8.620 0.608 167 H LEU 24 H LEU 24 -1.617 11.710 -1.962 168 HA LEU 24 HA LEU 24 -3.050 11.347 -4.175 169 HB2 LEU 24 1HB LEU 24 -0.325 10.108 -3.818 170 HB3 LEU 24 2HB LEU 24 -1.069 10.585 -5.342 171 HG LEU 24 HG LEU 24 -0.279 12.490 -3.141 172 HD11 LEU 24 1HD1 LEU 24 1.490 11.150 -4.624 173 HD12 LEU 24 2HD1 LEU 24 1.726 12.826 -4.134 174 HD13 LEU 24 3HD1 LEU 24 1.117 12.458 -5.747 175 HD21 LEU 24 3HD2 LEU 24 -0.967 14.216 -4.491 176 HD22 LEU 24 1HD2 LEU 24 -2.183 12.995 -4.868 177 HD23 LEU 24 2HD2 LEU 24 -0.830 13.262 -5.968 178 H CYS 25 H CYS 25 -1.642 8.663 -2.325 179 HA CYS 25 HA CYS 25 -3.669 6.892 -3.481 180 HB2 CYS 25 1HB CYS 25 -2.156 5.230 -4.127 181 HB3 CYS 25 2HB CYS 25 -1.367 6.717 -4.646 182 H ALA 26 H ALA 26 -3.877 4.841 -2.253 183 HA ALA 26 HA ALA 26 -2.926 5.000 0.512 184 HB1 ALA 26 3HB ALA 26 -5.323 5.986 0.086 185 HB2 ALA 26 1HB ALA 26 -5.786 4.284 0.090 186 HB3 ALA 26 2HB ALA 26 -4.993 4.988 1.501 187 H CYS 27 H CYS 27 -1.991 3.132 0.982 188 HA CYS 27 HA CYS 27 -2.585 0.755 -0.562 189 HB2 CYS 27 1HB CYS 27 -0.640 1.078 1.730 190 HB3 CYS 27 2HB CYS 27 -0.680 -0.232 0.554 191 H SER 28 H SER 28 -4.771 1.563 0.949 192 HA SER 28 HA SER 28 -4.852 -0.362 3.171 193 HB2 SER 28 1HB SER 28 -6.553 0.923 4.161 194 HB3 SER 28 2HB SER 28 -5.453 2.130 3.494 195 HG SER 28 HG SER 28 -7.035 1.742 1.551 196 H ASP 29 H ASP 29 -7.294 -1.116 3.488 197 HA ASP 29 HA ASP 29 -7.873 -2.721 1.173 198 HB2 ASP 29 1HB ASP 29 -8.099 -3.296 3.735 199 HB3 ASP 29 2HB ASP 29 -9.702 -2.592 3.537 200 H ASP 30 H ASP 30 -9.457 -0.073 2.903 201 HA ASP 30 HA ASP 30 -11.874 -0.005 1.549 202 HB2 ASP 30 1HB ASP 30 -11.636 2.576 2.000 203 HB3 ASP 30 2HB ASP 30 -11.816 1.450 3.343 204 H CYS 31 H CYS 31 -8.739 1.297 0.611 205 HA CYS 31 HA CYS 31 -9.414 2.911 -1.509 206 HB2 CYS 31 1HB CYS 31 -7.203 2.805 -2.140 207 HB3 CYS 31 2HB CYS 31 -7.082 2.193 -0.494 208 H LYS 32 H LYS 32 -9.085 -0.611 -1.475 209 HA LYS 32 HA LYS 32 -9.292 -1.183 -4.158 210 HB2 LYS 32 1HB LYS 32 -10.216 -2.617 -1.695 211 HB3 LYS 32 2HB LYS 32 -10.618 -3.266 -3.280 212 HG2 LYS 32 1HG LYS 32 -7.813 -2.642 -2.384 213 HG3 LYS 32 2HG LYS 32 -8.568 -4.232 -2.250 214 HD2 LYS 32 1HD LYS 32 -9.045 -3.867 -4.807 215 HD3 LYS 32 2HD LYS 32 -7.698 -2.734 -4.681 216 HE2 LYS 32 1HE LYS 32 -6.762 -4.809 -5.322 217 HE3 LYS 32 2HE LYS 32 -6.385 -4.606 -3.612 218 HZ1 LYS 32 3HZ LYS 32 -7.242 -6.635 -3.382 219 HZ2 LYS 32 1HZ LYS 32 -7.978 -6.612 -4.906 220 HZ3 LYS 32 2HZ LYS 32 -8.760 -5.913 -3.578 221 H ASP 33 H ASP 33 -11.920 -0.571 -1.858 222 HA ASP 33 HA ASP 33 -13.962 -0.881 -3.860 223 HB2 ASP 33 1HB ASP 33 -14.272 -1.359 -1.400 224 HB3 ASP 33 2HB ASP 33 -14.242 0.382 -1.129 225 H GLN 34 H GLN 34 -12.929 1.905 -1.881 226 HA GLN 34 HA GLN 34 -14.357 3.855 -3.243 227 HB2 GLN 34 1HB GLN 34 -11.740 4.020 -1.752 228 HB3 GLN 34 2HB GLN 34 -12.579 5.436 -2.371 229 HG2 GLN 34 1HG GLN 34 -13.940 3.493 -0.545 230 HG3 GLN 34 2HG GLN 34 -12.924 4.792 0.079 231 HE21 GLN 34 1HE2 GLN 34 -15.763 4.375 0.446 232 HE22 GLN 34 2HE2 GLN 34 -16.551 5.780 -0.179 233 H GLY 35 H GLY 35 -10.891 3.093 -3.659 234 HA2 GLY 35 1HA GLY 35 -10.099 2.723 -5.964 235 HA3 GLY 35 2HA GLY 35 -11.150 4.048 -6.444 236 H ASP 36 H ASP 36 -8.882 3.771 -3.724 237 HA ASP 36 HA ASP 36 -7.337 5.987 -4.894 238 HB2 ASP 36 1HB ASP 36 -8.568 5.761 -2.191 239 HB3 ASP 36 2HB ASP 36 -6.984 6.523 -2.304 240 H CYS 37 H CYS 37 -6.526 3.472 -5.361 241 HA CYS 37 HA CYS 37 -4.475 2.860 -3.351 242 HB2 CYS 37 1HB CYS 37 -5.041 1.111 -5.717 243 HB3 CYS 37 2HB CYS 37 -4.454 0.665 -4.118 244 H CYS 38 H CYS 38 -2.305 2.707 -3.886 245 HA CYS 38 HA CYS 38 -1.322 4.508 -5.787 246 HB2 CYS 38 1HB CYS 38 0.293 2.184 -4.764 247 HB3 CYS 38 2HB CYS 38 0.832 3.818 -5.141 248 H ILE 39 H ILE 39 0.381 3.794 -7.471 249 HA ILE 39 HA ILE 39 -0.982 2.300 -9.470 250 HB ILE 39 HB ILE 39 0.481 4.137 -10.094 251 HG12 ILE 39 1HG1 ILE 39 1.778 1.610 -11.104 252 HG13 ILE 39 2HG1 ILE 39 0.147 2.072 -11.576 253 HG21 ILE 39 1HG2 ILE 39 2.258 4.330 -8.704 254 HG22 ILE 39 2HG2 ILE 39 2.453 2.586 -8.533 255 HG23 ILE 39 3HG2 ILE 39 3.050 3.402 -9.977 256 HD11 ILE 39 3HD1 ILE 39 1.207 4.292 -12.297 257 HD12 ILE 39 1HD1 ILE 39 2.739 3.424 -12.199 258 HD13 ILE 39 2HD1 ILE 39 1.477 2.866 -13.299 259 H ASN 40 H ASN 40 1.391 1.515 -7.066 260 HA ASN 40 HA ASN 40 1.645 -1.186 -8.214 261 HB2 ASN 40 1HB ASN 40 3.802 -1.376 -7.138 262 HB3 ASN 40 2HB ASN 40 3.775 0.106 -8.089 263 HD21 ASN 40 1HD2 ASN 40 5.667 -0.028 -6.269 264 HD22 ASN 40 2HD2 ASN 40 5.312 0.956 -4.894 265 H TYR 41 H TYR 41 -0.554 -0.388 -6.606 266 HA TYR 41 HA TYR 41 -0.253 -1.044 -3.888 267 HB2 TYR 41 1HB TYR 41 -2.204 0.165 -4.722 268 HB3 TYR 41 2HB TYR 41 -2.700 -1.240 -5.658 269 HD1 TYR 41 HD2 TYR 41 -3.277 -3.377 -4.370 270 HD2 TYR 41 HD1 TYR 41 -2.926 0.435 -2.513 271 HE1 TYR 41 HE2 TYR 41 -4.586 -4.196 -2.456 272 HE2 TYR 41 HE1 TYR 41 -4.233 -0.374 -0.593 273 HH TYR 41 HH TYR 41 -5.100 -2.197 0.409 274 H SER 42 H SER 42 -1.941 -3.011 -6.337 275 HA SER 42 HA SER 42 -1.690 -5.388 -4.776 276 HB2 SER 42 1HB SER 42 -2.854 -6.487 -6.550 277 HB3 SER 42 2HB SER 42 -3.555 -4.875 -6.417 278 HG SER 42 HG SER 42 -1.511 -5.582 -8.254 279 H SER 43 H SER 43 -0.200 -4.273 -7.805 280 HA SER 43 HA SER 43 1.334 -6.392 -8.517 281 HB2 SER 43 1HB SER 43 1.402 -4.407 -9.851 282 HB3 SER 43 2HB SER 43 2.070 -3.461 -8.522 283 HG SER 43 HG SER 43 3.968 -4.715 -8.678 284 H VAL 44 H VAL 44 1.745 -4.390 -5.713 285 HA VAL 44 HA VAL 44 4.290 -5.714 -5.078 286 HB VAL 44 HB VAL 44 3.017 -3.287 -3.807 287 HG11 VAL 44 1HG1 VAL 44 4.340 -4.568 -2.205 288 HG12 VAL 44 2HG1 VAL 44 5.712 -4.550 -3.315 289 HG13 VAL 44 3HG1 VAL 44 5.131 -3.043 -2.605 290 HG21 VAL 44 3HG2 VAL 44 4.118 -2.011 -5.269 291 HG22 VAL 44 1HG2 VAL 44 5.602 -2.945 -5.082 292 HG23 VAL 44 2HG2 VAL 44 4.362 -3.478 -6.216 293 H CYS 45 H CYS 45 1.217 -4.788 -3.529 294 HA CYS 45 HA CYS 45 1.621 -6.348 -1.205 295 HB2 CYS 45 1HB CYS 45 -0.824 -5.119 -2.464 296 HB3 CYS 45 2HB CYS 45 -0.926 -6.079 -0.992 297 H GLN 46 H GLN 46 -0.705 -6.889 -3.858 298 HA GLN 46 HA GLN 46 -1.307 -9.534 -3.127 299 HB2 GLN 46 1HB GLN 46 -1.708 -7.881 -5.582 300 HB3 GLN 46 2HB GLN 46 -1.979 -9.617 -5.681 301 HG2 GLN 46 1HG GLN 46 -3.542 -9.385 -3.735 302 HG3 GLN 46 2HG GLN 46 -3.385 -7.638 -3.911 303 HE21 GLN 46 1HE2 GLN 46 -5.554 -7.374 -4.394 304 HE22 GLN 46 2HE2 GLN 46 -6.231 -7.855 -5.909 305 H GLY 47 H GLY 47 1.115 -8.184 -5.304 306 HA2 GLY 47 1HA GLY 47 2.742 -9.223 -6.586 307 HA3 GLY 47 2HA GLY 47 3.061 -10.031 -5.059 308 H GLU 48 H GLU 48 3.439 -12.100 -5.527 309 HA GLU 48 HA GLU 48 2.303 -13.469 -7.729 310 HB2 GLU 48 1HB GLU 48 4.474 -13.969 -6.390 311 HB3 GLU 48 2HB GLU 48 3.413 -14.874 -5.320 312 HG2 GLU 48 1HG GLU 48 3.633 -15.353 -8.281 313 HG3 GLU 48 2HG GLU 48 4.536 -16.244 -7.059 314 H LYS 49 H LYS 49 0.194 -13.872 -7.869 315 HA LYS 49 HA LYS 49 -1.133 -15.112 -5.554 316 HB2 LYS 49 1HB LYS 49 -1.856 -12.755 -5.810 317 HB3 LYS 49 2HB LYS 49 -2.388 -13.115 -7.446 318 HG2 LYS 49 1HG LYS 49 -4.217 -14.293 -6.745 319 HG3 LYS 49 2HG LYS 49 -3.474 -14.747 -5.210 320 HD2 LYS 49 1HD LYS 49 -3.666 -12.366 -4.494 321 HD3 LYS 49 2HD LYS 49 -4.567 -12.042 -5.976 322 HE2 LYS 49 1HE LYS 49 -6.400 -13.254 -5.285 323 HE3 LYS 49 2HE LYS 49 -5.455 -14.255 -4.184 324 HZ1 LYS 49 3HZ LYS 49 -7.005 -12.410 -3.259 325 HZ2 LYS 49 1HZ LYS 49 -5.720 -11.379 -3.642 326 HZ3 LYS 49 2HZ LYS 49 -5.485 -12.657 -2.559 327 H SER 50 H SER 50 -1.709 -17.113 -6.049 328 HA SER 50 HA SER 50 -2.207 -17.810 -8.851 329 HB2 SER 50 1HB SER 50 -1.644 -19.519 -6.420 330 HB3 SER 50 2HB SER 50 -2.041 -20.176 -8.007 331 HG SER 50 HG SER 50 0.323 -19.480 -7.139 332 H SER 51 H SER 51 -4.182 -18.253 -9.584 333 HA SER 51 HA SER 51 -6.315 -18.801 -7.627 334 HB2 SER 51 1HB SER 51 -6.483 -17.035 -10.080 335 HB3 SER 51 2HB SER 51 -7.861 -17.505 -9.088 336 HG SER 51 HG SER 51 -6.855 -16.449 -7.328 337 H GLY 52 H GLY 52 -7.483 -20.573 -8.017 338 HA2 GLY 52 1HA GLY 52 -8.030 -22.584 -9.010 339 HA3 GLY 52 2HA GLY 52 -8.486 -21.543 -10.351 340 HA PRO 53 HA PRO 53 -3.956 -22.927 -11.301 341 HB2 PRO 53 1HB PRO 53 -2.842 -24.743 -9.618 342 HB3 PRO 53 2HB PRO 53 -2.700 -22.997 -9.379 343 HG2 PRO 53 1HG PRO 53 -4.564 -24.941 -8.074 344 HG3 PRO 53 2HG PRO 53 -3.650 -23.608 -7.346 345 HD2 PRO 53 1HD PRO 53 -6.280 -23.406 -7.958 346 HD3 PRO 53 2HD PRO 53 -5.172 -22.020 -8.034 347 H SER 54 H SER 54 -2.953 -25.023 -12.084 348 HA SER 54 HA SER 54 -4.618 -26.519 -13.579 349 HB2 SER 54 1HB SER 54 -2.025 -27.297 -12.259 350 HB3 SER 54 2HB SER 54 -2.876 -28.407 -13.333 351 HG SER 54 HG SER 54 -2.857 -26.416 -14.792 352 H SER 55 H SER 55 -3.670 -27.293 -10.246 353 HA SER 55 HA SER 55 -5.484 -29.555 -10.172 354 HB2 SER 55 1HB SER 55 -3.479 -28.390 -8.262 355 HB3 SER 55 2HB SER 55 -4.678 -29.550 -7.690 356 HG SER 55 HG SER 55 -2.409 -30.084 -8.874 357 H GLY 56 H GLY 56 -7.449 -29.614 -9.226 358 HA2 GLY 56 1HA GLY 56 -8.472 -28.136 -7.175 359 HA3 GLY 56 2HA GLY 56 -8.711 -27.111 -8.582 Start of MODEL 20 1 H1 GLY 1 H GLY 1 14.807 8.927 5.646 2 HA2 GLY 1 1HA GLY 1 14.689 8.615 2.922 3 HA3 GLY 1 2HA GLY 1 13.861 7.559 4.057 4 H SER 2 H SER 2 13.546 10.295 1.918 5 HA SER 2 HA SER 2 10.802 9.743 1.430 6 HB2 SER 2 1HB SER 2 11.501 11.978 3.297 7 HB3 SER 2 2HB SER 2 10.134 12.169 2.199 8 HG SER 2 HG SER 2 9.326 11.265 4.038 9 H SER 3 H SER 3 10.238 10.496 -0.529 10 HA SER 3 HA SER 3 12.179 12.195 -1.915 11 HB2 SER 3 1HB SER 3 11.460 9.969 -2.881 12 HB3 SER 3 2HB SER 3 9.866 10.678 -3.134 13 HG SER 3 HG SER 3 11.254 10.822 -4.983 14 H GLY 4 H GLY 4 11.522 14.186 -0.987 15 HA2 GLY 4 1HA GLY 4 10.130 16.020 -0.662 16 HA3 GLY 4 2HA GLY 4 10.009 15.877 -2.409 17 H SER 5 H SER 5 7.973 16.072 -3.035 18 HA SER 5 HA SER 5 5.866 14.896 -1.349 19 HB2 SER 5 1HB SER 5 4.329 16.510 -2.361 20 HB3 SER 5 2HB SER 5 5.708 17.345 -1.645 21 HG SER 5 HG SER 5 5.925 16.613 -4.319 22 H SER 6 H SER 6 6.243 12.815 -2.323 23 HA SER 6 HA SER 6 4.481 12.244 -4.443 24 HB2 SER 6 1HB SER 6 6.454 13.302 -5.682 25 HB3 SER 6 2HB SER 6 7.368 11.863 -5.234 26 HG SER 6 HG SER 6 6.228 10.692 -6.599 27 H GLY 7 H GLY 7 4.790 9.900 -5.217 28 HA2 GLY 7 1HA GLY 7 6.356 8.037 -3.888 29 HA3 GLY 7 2HA GLY 7 4.910 8.244 -2.911 30 H TRP 8 H TRP 8 2.811 8.008 -4.109 31 HA TRP 8 HA TRP 8 1.426 6.472 -5.098 32 HB2 TRP 8 1HB TRP 8 3.266 7.189 -7.389 33 HB3 TRP 8 2HB TRP 8 1.717 6.372 -7.571 34 HD1 TRP 8 HD1 TRP 8 3.226 9.793 -6.791 35 HE1 TRP 8 HE1 TRP 8 1.377 11.573 -6.976 36 HE3 TRP 8 HE3 TRP 8 -0.815 6.712 -7.352 37 HZ2 TRP 8 HZ2 TRP 8 -1.424 11.661 -7.315 38 HZ3 TRP 8 HZ3 TRP 8 -3.044 7.723 -7.599 39 HH2 TRP 8 HH2 TRP 8 -3.341 10.148 -7.581 40 H THR 9 H THR 9 3.455 5.194 -3.655 41 HA THR 9 HA THR 9 3.638 2.694 -5.159 42 HB THR 9 HB THR 9 5.983 2.345 -4.365 43 HG1 THR 9 HG1 THR 9 6.300 3.807 -2.771 44 HG21 THR 9 3HG2 THR 9 6.950 4.163 -5.973 45 HG22 THR 9 1HG2 THR 9 5.252 4.491 -6.316 46 HG23 THR 9 2HG2 THR 9 5.917 2.885 -6.613 47 H CYS 10 H CYS 10 3.856 0.824 -3.849 48 HA CYS 10 HA CYS 10 3.190 1.282 -1.014 49 HB2 CYS 10 1HB CYS 10 2.307 -0.948 -2.856 50 HB3 CYS 10 2HB CYS 10 1.995 -0.910 -1.124 51 H ASN 11 H ASN 11 3.783 -0.570 0.428 52 HA ASN 11 HA ASN 11 6.207 -1.963 -0.476 53 HB2 ASN 11 1HB ASN 11 6.845 0.064 0.818 54 HB3 ASN 11 2HB ASN 11 5.936 -0.559 2.191 55 HD21 ASN 11 1HD2 ASN 11 6.940 -1.845 3.578 56 HD22 ASN 11 2HD2 ASN 11 8.493 -2.564 3.334 57 H LYS 12 H LYS 12 6.767 -3.838 0.820 58 HA LYS 12 HA LYS 12 4.723 -5.616 1.224 59 HB2 LYS 12 1HB LYS 12 7.519 -5.449 2.257 60 HB3 LYS 12 2HB LYS 12 6.454 -6.681 2.919 61 HG2 LYS 12 1HG LYS 12 7.558 -7.764 1.187 62 HG3 LYS 12 2HG LYS 12 5.999 -7.328 0.484 63 HD2 LYS 12 1HD LYS 12 6.945 -5.509 -0.709 64 HD3 LYS 12 2HD LYS 12 8.458 -5.615 0.195 65 HE2 LYS 12 1HE LYS 12 8.738 -6.544 -2.028 66 HE3 LYS 12 2HE LYS 12 8.889 -7.812 -0.813 67 HZ1 LYS 12 3HZ LYS 12 6.893 -8.746 -1.407 68 HZ2 LYS 12 1HZ LYS 12 7.450 -8.204 -2.911 69 HZ3 LYS 12 2HZ LYS 12 6.280 -7.316 -2.073 70 H PHE 13 H PHE 13 6.300 -3.607 3.699 71 HA PHE 13 HA PHE 13 4.770 -4.516 5.874 72 HB2 PHE 13 1HB PHE 13 6.934 -3.061 5.814 73 HB3 PHE 13 2HB PHE 13 5.814 -1.705 5.725 74 HD1 PHE 13 HD1 PHE 13 6.790 -4.628 7.773 75 HD2 PHE 13 HD2 PHE 13 4.732 -0.904 7.642 76 HE1 PHE 13 HE1 PHE 13 6.534 -4.686 10.220 77 HE2 PHE 13 HE2 PHE 13 4.475 -0.956 10.088 78 HZ PHE 13 HZ PHE 13 5.377 -2.850 11.380 79 H ARG 14 H ARG 14 4.404 -1.573 3.896 80 HA ARG 14 HA ARG 14 2.217 -0.426 5.029 81 HB2 ARG 14 1HB ARG 14 2.905 -0.718 2.105 82 HB3 ARG 14 2HB ARG 14 1.575 0.284 2.674 83 HG2 ARG 14 1HG ARG 14 3.382 1.391 4.169 84 HG3 ARG 14 2HG ARG 14 4.514 0.667 3.024 85 HD2 ARG 14 1HD ARG 14 3.995 2.928 2.344 86 HD3 ARG 14 2HD ARG 14 3.324 1.786 1.180 87 HE ARG 14 HE ARG 14 1.231 2.195 2.782 88 HH11 ARG 14 1HH1 ARG 14 3.458 4.431 1.312 89 HH12 ARG 14 2HH1 ARG 14 2.299 5.714 1.199 90 HH21 ARG 14 1HH2 ARG 14 -0.304 3.877 2.639 91 HH22 ARG 14 2HH2 ARG 14 0.160 5.398 1.955 92 H CYS 15 H CYS 15 2.137 -3.013 2.585 93 HA CYS 15 HA CYS 15 -0.447 -3.398 2.064 94 HB2 CYS 15 1HB CYS 15 1.400 -5.623 2.959 95 HB3 CYS 15 2HB CYS 15 -0.060 -5.822 1.994 96 H GLY 16 H GLY 16 -2.157 -3.106 3.343 97 HA2 GLY 16 1HA GLY 16 -3.702 -3.936 4.925 98 HA3 GLY 16 2HA GLY 16 -2.385 -4.766 5.741 99 H GLU 17 H GLU 17 -2.552 -1.361 4.791 100 HA GLU 17 HA GLU 17 -1.772 -0.554 7.442 101 HB2 GLU 17 1HB GLU 17 -1.633 1.667 6.551 102 HB3 GLU 17 2HB GLU 17 -0.955 0.564 5.360 103 HG2 GLU 17 1HG GLU 17 -2.794 0.774 3.940 104 HG3 GLU 17 2HG GLU 17 -3.809 1.457 5.209 105 H LYS 18 H LYS 18 -3.044 1.694 8.047 106 HA LYS 18 HA LYS 18 -5.824 0.824 8.452 107 HB2 LYS 18 1HB LYS 18 -5.846 2.113 10.468 108 HB3 LYS 18 2HB LYS 18 -4.375 1.149 10.474 109 HG2 LYS 18 1HG LYS 18 -4.202 3.890 9.365 110 HG3 LYS 18 2HG LYS 18 -4.395 3.722 11.112 111 HD2 LYS 18 1HD LYS 18 -2.345 2.756 11.382 112 HD3 LYS 18 2HD LYS 18 -2.364 2.012 9.781 113 HE2 LYS 18 1HE LYS 18 -0.768 3.639 9.492 114 HE3 LYS 18 2HE LYS 18 -2.216 4.492 8.959 115 HZ1 LYS 18 3HZ LYS 18 -2.080 5.923 10.649 116 HZ2 LYS 18 1HZ LYS 18 -0.483 5.391 10.820 117 HZ3 LYS 18 2HZ LYS 18 -1.702 4.723 11.781 118 H ARG 19 H ARG 19 -7.470 2.537 8.555 119 HA ARG 19 HA ARG 19 -7.887 3.934 6.326 120 HB2 ARG 19 1HB ARG 19 -9.548 3.879 8.076 121 HB3 ARG 19 2HB ARG 19 -8.537 4.863 9.126 122 HG2 ARG 19 1HG ARG 19 -9.955 6.464 8.372 123 HG3 ARG 19 2HG ARG 19 -8.725 6.563 7.111 124 HD2 ARG 19 1HD ARG 19 -10.662 6.462 5.865 125 HD3 ARG 19 2HD ARG 19 -10.188 4.765 5.925 126 HE ARG 19 HE ARG 19 -11.817 4.937 8.034 127 HH11 ARG 19 1HH1 ARG 19 -12.169 6.080 4.764 128 HH12 ARG 19 2HH1 ARG 19 -13.894 5.920 4.756 129 HH21 ARG 19 1HH2 ARG 19 -14.087 4.724 8.036 130 HH22 ARG 19 2HH2 ARG 19 -14.984 5.150 6.617 131 H LEU 20 H LEU 20 -7.424 5.930 5.427 132 HA LEU 20 HA LEU 20 -5.641 7.761 6.796 133 HB2 LEU 20 1HB LEU 20 -3.934 7.727 5.082 134 HB3 LEU 20 2HB LEU 20 -4.105 6.134 5.815 135 HG LEU 20 HG LEU 20 -5.430 6.815 3.207 136 HD11 LEU 20 1HD1 LEU 20 -3.050 7.297 2.956 137 HD12 LEU 20 2HD1 LEU 20 -3.511 5.851 2.058 138 HD13 LEU 20 3HD1 LEU 20 -2.655 5.700 3.593 139 HD21 LEU 20 3HD2 LEU 20 -5.599 4.636 4.887 140 HD22 LEU 20 1HD2 LEU 20 -4.431 4.124 3.667 141 HD23 LEU 20 2HD2 LEU 20 -6.036 4.669 3.177 142 H THR 21 H THR 21 -6.080 9.803 6.245 143 HA THR 21 HA THR 21 -7.883 10.247 3.973 144 HB THR 21 HB THR 21 -7.236 12.134 6.245 145 HG1 THR 21 HG1 THR 21 -9.454 11.486 6.867 146 HG21 THR 21 3HG2 THR 21 -9.692 12.301 4.565 147 HG22 THR 21 1HG2 THR 21 -8.175 12.904 3.900 148 HG23 THR 21 2HG2 THR 21 -8.809 13.579 5.400 149 H ARG 22 H ARG 22 -5.239 12.035 5.574 150 HA ARG 22 HA ARG 22 -4.657 13.584 3.262 151 HB2 ARG 22 1HB ARG 22 -3.358 13.173 5.925 152 HB3 ARG 22 2HB ARG 22 -2.457 13.983 4.649 153 HG2 ARG 22 1HG ARG 22 -3.409 15.767 5.716 154 HG3 ARG 22 2HG ARG 22 -4.609 15.451 4.462 155 HD2 ARG 22 1HD ARG 22 -6.000 14.259 6.018 156 HD3 ARG 22 2HD ARG 22 -4.760 14.359 7.267 157 HE ARG 22 HE ARG 22 -5.366 16.960 6.528 158 HH11 ARG 22 1HH1 ARG 22 -7.000 14.235 7.950 159 HH12 ARG 22 2HH1 ARG 22 -8.103 15.207 8.865 160 HH21 ARG 22 1HH2 ARG 22 -6.811 18.252 7.729 161 HH22 ARG 22 2HH2 ARG 22 -7.995 17.493 8.739 162 H SER 23 H SER 23 -4.428 11.922 1.653 163 HA SER 23 HA SER 23 -1.728 11.246 1.135 164 HB2 SER 23 1HB SER 23 -3.498 9.133 2.299 165 HB3 SER 23 2HB SER 23 -2.330 8.677 1.059 166 HG SER 23 HG SER 23 -0.948 8.650 2.633 167 H LEU 24 H LEU 24 -1.433 10.886 -1.001 168 HA LEU 24 HA LEU 24 -3.447 11.454 -2.831 169 HB2 LEU 24 1HB LEU 24 -0.907 9.897 -3.296 170 HB3 LEU 24 2HB LEU 24 -1.899 10.643 -4.547 171 HG LEU 24 HG LEU 24 -0.456 12.164 -2.376 172 HD11 LEU 24 1HD1 LEU 24 1.355 12.378 -3.695 173 HD12 LEU 24 2HD1 LEU 24 0.408 12.380 -5.182 174 HD13 LEU 24 3HD1 LEU 24 0.785 10.856 -4.379 175 HD21 LEU 24 3HD2 LEU 24 -2.587 12.926 -3.961 176 HD22 LEU 24 1HD2 LEU 24 -1.182 13.560 -4.817 177 HD23 LEU 24 2HD2 LEU 24 -1.462 14.004 -3.133 178 H CYS 25 H CYS 25 -1.978 8.280 -2.126 179 HA CYS 25 HA CYS 25 -4.478 7.031 -3.060 180 HB2 CYS 25 1HB CYS 25 -3.200 5.176 -3.959 181 HB3 CYS 25 2HB CYS 25 -2.614 6.680 -4.659 182 H ALA 26 H ALA 26 -4.339 4.550 -2.303 183 HA ALA 26 HA ALA 26 -3.474 4.481 0.504 184 HB1 ALA 26 3HB ALA 26 -5.667 3.211 0.944 185 HB2 ALA 26 1HB ALA 26 -5.731 4.967 0.800 186 HB3 ALA 26 2HB ALA 26 -6.228 3.952 -0.555 187 H CYS 27 H CYS 27 -2.466 2.651 1.060 188 HA CYS 27 HA CYS 27 -2.400 0.475 -0.903 189 HB2 CYS 27 1HB CYS 27 -0.580 1.089 1.435 190 HB3 CYS 27 2HB CYS 27 -0.386 -0.279 0.344 191 H SER 28 H SER 28 -4.716 0.684 0.663 192 HA SER 28 HA SER 28 -4.491 -1.767 2.276 193 HB2 SER 28 1HB SER 28 -5.834 -0.897 4.001 194 HB3 SER 28 2HB SER 28 -4.736 0.428 3.615 195 HG SER 28 HG SER 28 -7.448 0.290 3.381 196 H ASP 29 H ASP 29 -6.745 -2.710 2.696 197 HA ASP 29 HA ASP 29 -7.905 -3.434 0.271 198 HB2 ASP 29 1HB ASP 29 -9.542 -4.600 1.537 199 HB3 ASP 29 2HB ASP 29 -8.066 -4.648 2.496 200 H ASP 30 H ASP 30 -8.806 -0.918 2.566 201 HA ASP 30 HA ASP 30 -11.292 -0.175 1.758 202 HB2 ASP 30 1HB ASP 30 -9.632 0.920 3.467 203 HB3 ASP 30 2HB ASP 30 -9.236 1.976 2.115 204 H CYS 31 H CYS 31 -8.243 0.752 0.188 205 HA CYS 31 HA CYS 31 -9.079 2.478 -1.736 206 HB2 CYS 31 1HB CYS 31 -7.135 1.997 -2.897 207 HB3 CYS 31 2HB CYS 31 -6.740 1.375 -1.297 208 H LYS 32 H LYS 32 -9.513 -1.015 -1.714 209 HA LYS 32 HA LYS 32 -10.351 -1.457 -4.310 210 HB2 LYS 32 1HB LYS 32 -11.261 -2.736 -1.731 211 HB3 LYS 32 2HB LYS 32 -11.732 -3.329 -3.318 212 HG2 LYS 32 1HG LYS 32 -8.841 -2.981 -2.662 213 HG3 LYS 32 2HG LYS 32 -9.720 -4.397 -2.078 214 HD2 LYS 32 1HD LYS 32 -10.176 -5.149 -4.252 215 HD3 LYS 32 2HD LYS 32 -9.798 -3.581 -4.967 216 HE2 LYS 32 1HE LYS 32 -7.906 -4.776 -5.493 217 HE3 LYS 32 2HE LYS 32 -7.424 -4.032 -3.969 218 HZ1 LYS 32 3HZ LYS 32 -7.960 -6.823 -4.581 219 HZ2 LYS 32 1HZ LYS 32 -8.502 -6.278 -3.074 220 HZ3 LYS 32 2HZ LYS 32 -6.867 -6.145 -3.483 221 H ASP 33 H ASP 33 -12.272 -0.393 -1.525 222 HA ASP 33 HA ASP 33 -14.755 -0.329 -2.872 223 HB2 ASP 33 1HB ASP 33 -14.551 -0.342 -0.412 224 HB3 ASP 33 2HB ASP 33 -13.859 1.277 -0.468 225 H GLN 34 H GLN 34 -12.697 2.410 -1.868 226 HA GLN 34 HA GLN 34 -14.062 4.361 -3.326 227 HB2 GLN 34 1HB GLN 34 -11.217 4.217 -2.343 228 HB3 GLN 34 2HB GLN 34 -11.861 5.638 -3.155 229 HG2 GLN 34 1HG GLN 34 -13.704 5.566 -1.369 230 HG3 GLN 34 2HG GLN 34 -12.614 4.488 -0.499 231 HE21 GLN 34 1HE2 GLN 34 -11.070 5.357 0.714 232 HE22 GLN 34 2HE2 GLN 34 -10.620 7.025 0.717 233 H GLY 35 H GLY 35 -10.891 2.930 -4.149 234 HA2 GLY 35 1HA GLY 35 -10.630 1.963 -6.398 235 HA3 GLY 35 2HA GLY 35 -11.607 3.297 -6.993 236 H ASP 36 H ASP 36 -9.159 3.757 -4.552 237 HA ASP 36 HA ASP 36 -7.503 5.152 -6.552 238 HB2 ASP 36 1HB ASP 36 -8.098 5.872 -3.682 239 HB3 ASP 36 2HB ASP 36 -6.771 6.593 -4.590 240 H CYS 37 H CYS 37 -7.139 2.444 -6.050 241 HA CYS 37 HA CYS 37 -5.158 1.961 -4.066 242 HB2 CYS 37 1HB CYS 37 -5.696 0.326 -6.550 243 HB3 CYS 37 2HB CYS 37 -4.939 -0.223 -5.059 244 H CYS 38 H CYS 38 -3.102 2.548 -4.098 245 HA CYS 38 HA CYS 38 -1.793 4.003 -5.969 246 HB2 CYS 38 1HB CYS 38 -0.404 1.859 -4.359 247 HB3 CYS 38 2HB CYS 38 0.276 3.378 -4.934 248 H ILE 39 H ILE 39 -0.740 3.700 -7.859 249 HA ILE 39 HA ILE 39 -1.351 1.684 -9.592 250 HB ILE 39 HB ILE 39 -0.259 3.729 -10.329 251 HG12 ILE 39 1HG1 ILE 39 1.620 1.503 -11.078 252 HG13 ILE 39 2HG1 ILE 39 -0.067 1.462 -11.579 253 HG21 ILE 39 1HG2 ILE 39 2.451 2.825 -9.597 254 HG22 ILE 39 2HG2 ILE 39 1.772 4.451 -9.660 255 HG23 ILE 39 3HG2 ILE 39 1.445 3.411 -8.273 256 HD11 ILE 39 3HD1 ILE 39 2.066 2.732 -12.853 257 HD12 ILE 39 1HD1 ILE 39 0.354 2.830 -13.260 258 HD13 ILE 39 2HD1 ILE 39 1.071 4.022 -12.176 259 H ASN 40 H ASN 40 1.212 1.728 -7.193 260 HA ASN 40 HA ASN 40 2.037 -0.967 -8.031 261 HB2 ASN 40 1HB ASN 40 3.667 1.083 -7.661 262 HB3 ASN 40 2HB ASN 40 3.539 0.596 -5.973 263 HD21 ASN 40 1HD2 ASN 40 5.760 0.083 -6.009 264 HD22 ASN 40 2HD2 ASN 40 6.323 -1.384 -6.727 265 H TYR 41 H TYR 41 -0.398 -0.719 -6.689 266 HA TYR 41 HA TYR 41 0.051 -1.344 -3.894 267 HB2 TYR 41 1HB TYR 41 -1.887 -0.017 -4.376 268 HB3 TYR 41 2HB TYR 41 -2.451 -1.173 -5.577 269 HD1 TYR 41 HD1 TYR 41 -1.446 -1.241 -1.970 270 HD2 TYR 41 HD2 TYR 41 -4.249 -2.452 -4.933 271 HE1 TYR 41 HE1 TYR 41 -2.772 -2.381 -0.241 272 HE2 TYR 41 HE2 TYR 41 -5.584 -3.594 -3.212 273 HH TYR 41 HH TYR 41 -4.685 -3.441 0.213 274 H SER 42 H SER 42 -1.794 -3.007 -6.455 275 HA SER 42 HA SER 42 -1.691 -5.519 -5.144 276 HB2 SER 42 1HB SER 42 -2.601 -6.412 -7.277 277 HB3 SER 42 2HB SER 42 -3.488 -5.000 -6.703 278 HG SER 42 HG SER 42 -1.349 -4.644 -8.482 279 H SER 43 H SER 43 0.309 -3.962 -7.558 280 HA SER 43 HA SER 43 1.724 -6.174 -8.507 281 HB2 SER 43 1HB SER 43 2.695 -3.330 -8.132 282 HB3 SER 43 2HB SER 43 3.486 -4.553 -9.126 283 HG SER 43 HG SER 43 1.996 -3.037 -10.214 284 H VAL 44 H VAL 44 2.298 -4.119 -5.685 285 HA VAL 44 HA VAL 44 4.627 -5.686 -4.920 286 HB VAL 44 HB VAL 44 3.315 -3.344 -3.532 287 HG11 VAL 44 1HG1 VAL 44 5.013 -3.347 -1.971 288 HG12 VAL 44 2HG1 VAL 44 4.735 -5.075 -2.197 289 HG13 VAL 44 3HG1 VAL 44 6.097 -4.288 -2.996 290 HG21 VAL 44 3HG2 VAL 44 5.947 -3.298 -4.965 291 HG22 VAL 44 1HG2 VAL 44 4.434 -3.028 -5.830 292 HG23 VAL 44 2HG2 VAL 44 4.903 -1.951 -4.515 293 H CYS 45 H CYS 45 1.475 -4.818 -3.499 294 HA CYS 45 HA CYS 45 1.721 -6.631 -1.320 295 HB2 CYS 45 1HB CYS 45 -0.674 -5.207 -2.490 296 HB3 CYS 45 2HB CYS 45 -0.733 -6.174 -1.021 297 H GLN 46 H GLN 46 -0.655 -6.694 -3.980 298 HA GLN 46 HA GLN 46 -1.028 -9.536 -3.624 299 HB2 GLN 46 1HB GLN 46 -2.292 -7.437 -5.352 300 HB3 GLN 46 2HB GLN 46 -2.560 -9.141 -5.695 301 HG2 GLN 46 1HG GLN 46 -3.019 -8.114 -2.936 302 HG3 GLN 46 2HG GLN 46 -4.219 -7.811 -4.191 303 HE21 GLN 46 1HE2 GLN 46 -5.509 -9.114 -2.636 304 HE22 GLN 46 2HE2 GLN 46 -5.497 -10.831 -2.827 305 H GLY 47 H GLY 47 1.591 -9.024 -4.322 306 HA2 GLY 47 1HA GLY 47 1.724 -10.413 -6.896 307 HA3 GLY 47 2HA GLY 47 2.606 -8.900 -6.743 308 H GLU 48 H GLU 48 4.043 -8.827 -4.702 309 HA GLU 48 HA GLU 48 5.828 -9.636 -3.543 310 HB2 GLU 48 1HB GLU 48 4.081 -11.315 -2.769 311 HB3 GLU 48 2HB GLU 48 4.718 -12.404 -3.993 312 HG2 GLU 48 1HG GLU 48 5.768 -13.031 -2.003 313 HG3 GLU 48 2HG GLU 48 6.976 -12.103 -2.890 314 H LYS 49 H LYS 49 6.230 -9.071 -6.179 315 HA LYS 49 HA LYS 49 8.088 -11.196 -7.027 316 HB2 LYS 49 1HB LYS 49 5.953 -10.614 -8.461 317 HB3 LYS 49 2HB LYS 49 6.943 -9.262 -9.000 318 HG2 LYS 49 1HG LYS 49 8.629 -10.762 -9.831 319 HG3 LYS 49 2HG LYS 49 7.766 -12.154 -9.170 320 HD2 LYS 49 1HD LYS 49 6.398 -10.327 -11.103 321 HD3 LYS 49 2HD LYS 49 7.521 -11.554 -11.694 322 HE2 LYS 49 1HE LYS 49 5.271 -12.222 -9.820 323 HE3 LYS 49 2HE LYS 49 5.046 -12.177 -11.567 324 HZ1 LYS 49 3HZ LYS 49 5.900 -14.319 -10.138 325 HZ2 LYS 49 1HZ LYS 49 7.342 -13.700 -10.768 326 HZ3 LYS 49 2HZ LYS 49 6.076 -14.121 -11.808 327 H SER 50 H SER 50 9.661 -10.074 -5.685 328 HA SER 50 HA SER 50 10.569 -7.497 -6.749 329 HB2 SER 50 1HB SER 50 10.273 -7.543 -4.342 330 HB3 SER 50 2HB SER 50 11.298 -8.972 -4.208 331 HG SER 50 HG SER 50 13.057 -7.771 -4.634 332 H SER 51 H SER 51 11.422 -8.483 -8.686 333 HA SER 51 HA SER 51 13.793 -10.160 -8.312 334 HB2 SER 51 1HB SER 51 12.170 -10.942 -9.965 335 HB3 SER 51 2HB SER 51 12.287 -9.410 -10.830 336 HG SER 51 HG SER 51 14.462 -9.896 -11.268 337 H GLY 52 H GLY 52 12.807 -7.200 -10.034 338 HA2 GLY 52 1HA GLY 52 15.534 -6.174 -9.653 339 HA3 GLY 52 2HA GLY 52 14.859 -6.195 -11.275 340 HA PRO 53 HA PRO 53 13.031 -2.693 -8.418 341 HB2 PRO 53 1HB PRO 53 15.113 -1.140 -7.634 342 HB3 PRO 53 2HB PRO 53 14.479 -2.463 -6.650 343 HG2 PRO 53 1HG PRO 53 16.873 -2.418 -8.448 344 HG3 PRO 53 2HG PRO 53 16.703 -3.120 -6.828 345 HD2 PRO 53 1HD PRO 53 16.589 -4.615 -9.083 346 HD3 PRO 53 2HD PRO 53 15.664 -5.018 -7.622 347 H SER 54 H SER 54 14.903 -3.080 -11.097 348 HA SER 54 HA SER 54 15.476 -0.487 -11.970 349 HB2 SER 54 1HB SER 54 16.088 -2.836 -12.980 350 HB3 SER 54 2HB SER 54 14.617 -2.593 -13.921 351 HG SER 54 HG SER 54 16.512 -1.787 -14.967 352 H SER 55 H SER 55 13.939 1.050 -11.807 353 HA SER 55 HA SER 55 11.321 0.515 -13.043 354 HB2 SER 55 1HB SER 55 12.172 2.353 -10.818 355 HB3 SER 55 2HB SER 55 10.676 2.643 -11.706 356 HG SER 55 HG SER 55 9.989 1.334 -10.157 357 H GLY 56 H GLY 56 11.121 1.306 -15.025 358 HA2 GLY 56 1HA GLY 56 11.346 2.669 -16.860 359 HA3 GLY 56 2HA GLY 56 11.361 3.990 -15.702
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