NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505210 | 2eoy | 10154 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -31.659 -4.804 -20.188 2 HA2 GLY 1 1HA GLY 1 -31.361 -6.618 -18.744 3 HA3 GLY 1 2HA GLY 1 -31.415 -7.443 -20.294 4 H SER 2 H SER 2 -28.924 -5.427 -18.743 5 HA SER 2 HA SER 2 -27.016 -7.621 -19.205 6 HB2 SER 2 1HB SER 2 -26.481 -5.528 -20.386 7 HB3 SER 2 2HB SER 2 -26.478 -4.661 -18.850 8 HG SER 2 HG SER 2 -24.554 -5.411 -18.439 9 H SER 3 H SER 3 -28.664 -7.791 -16.981 10 HA SER 3 HA SER 3 -26.901 -7.044 -14.746 11 HB2 SER 3 1HB SER 3 -28.943 -7.471 -13.325 12 HB3 SER 3 2HB SER 3 -29.092 -6.116 -14.443 13 HG SER 3 HG SER 3 -30.753 -8.059 -14.236 14 H GLY 4 H GLY 4 -26.425 -8.578 -13.123 15 HA2 GLY 4 1HA GLY 4 -27.172 -11.057 -12.601 16 HA3 GLY 4 2HA GLY 4 -26.367 -11.317 -14.142 17 H SER 5 H SER 5 -24.373 -12.051 -13.928 18 HA SER 5 HA SER 5 -22.928 -12.393 -11.661 19 HB2 SER 5 1HB SER 5 -21.767 -11.725 -14.377 20 HB3 SER 5 2HB SER 5 -20.909 -12.525 -13.060 21 HG SER 5 HG SER 5 -21.631 -14.177 -14.258 22 H SER 6 H SER 6 -22.423 -10.974 -10.135 23 HA SER 6 HA SER 6 -20.798 -8.684 -10.753 24 HB2 SER 6 1HB SER 6 -23.573 -8.272 -9.615 25 HB3 SER 6 2HB SER 6 -22.322 -7.032 -9.688 26 HG SER 6 HG SER 6 -23.408 -6.698 -11.518 27 H GLY 7 H GLY 7 -19.376 -8.409 -9.157 28 HA2 GLY 7 1HA GLY 7 -19.944 -8.460 -6.416 29 HA3 GLY 7 2HA GLY 7 -19.368 -10.056 -6.871 30 H GLN 8 H GLN 8 -18.370 -7.341 -5.488 31 HA GLN 8 HA GLN 8 -15.871 -6.945 -6.872 32 HB2 GLN 8 1HB GLN 8 -15.382 -5.350 -5.057 33 HB3 GLN 8 2HB GLN 8 -16.943 -5.043 -5.807 34 HG2 GLN 8 1HG GLN 8 -17.525 -4.842 -3.624 35 HG3 GLN 8 2HG GLN 8 -17.803 -6.569 -3.841 36 HE21 GLN 8 1HE2 GLN 8 -15.009 -4.477 -3.178 37 HE22 GLN 8 2HE2 GLN 8 -14.415 -5.405 -1.849 38 H LYS 9 H LYS 9 -16.132 -9.597 -6.140 39 HA LYS 9 HA LYS 9 -14.964 -10.282 -3.678 40 HB2 LYS 9 1HB LYS 9 -15.153 -11.721 -6.318 41 HB3 LYS 9 2HB LYS 9 -14.365 -12.444 -4.922 42 HG2 LYS 9 1HG LYS 9 -17.122 -11.376 -4.605 43 HG3 LYS 9 2HG LYS 9 -16.891 -12.906 -5.453 44 HD2 LYS 9 1HD LYS 9 -15.770 -13.852 -3.541 45 HD3 LYS 9 2HD LYS 9 -15.811 -12.299 -2.702 46 HE2 LYS 9 1HE LYS 9 -18.211 -12.382 -2.562 47 HE3 LYS 9 2HE LYS 9 -18.260 -13.835 -3.559 48 HZ1 LYS 9 3HZ LYS 9 -16.612 -14.064 -1.201 49 HZ2 LYS 9 1HZ LYS 9 -17.766 -15.133 -1.825 50 HZ3 LYS 9 2HZ LYS 9 -18.254 -13.823 -0.873 51 H GLU 10 H GLU 10 -13.456 -10.273 -6.916 52 HA GLU 10 HA GLU 10 -10.821 -10.554 -5.884 53 HB2 GLU 10 1HB GLU 10 -12.022 -10.033 -8.561 54 HB3 GLU 10 2HB GLU 10 -10.317 -9.668 -8.339 55 HG2 GLU 10 1HG GLU 10 -9.845 -11.934 -7.734 56 HG3 GLU 10 2HG GLU 10 -11.561 -12.337 -7.728 57 H LYS 11 H LYS 11 -9.495 -9.065 -5.090 58 HA LYS 11 HA LYS 11 -9.946 -6.243 -5.786 59 HB2 LYS 11 1HB LYS 11 -9.401 -5.626 -3.450 60 HB3 LYS 11 2HB LYS 11 -10.880 -6.570 -3.576 61 HG2 LYS 11 1HG LYS 11 -9.274 -8.583 -3.104 62 HG3 LYS 11 2HG LYS 11 -8.240 -7.322 -2.426 63 HD2 LYS 11 1HD LYS 11 -11.107 -7.360 -1.636 64 HD3 LYS 11 2HD LYS 11 -10.040 -8.592 -0.956 65 HE2 LYS 11 1HE LYS 11 -9.272 -5.696 -0.911 66 HE3 LYS 11 2HE LYS 11 -10.354 -6.360 0.313 67 HZ1 LYS 11 3HZ LYS 11 -7.793 -7.694 -0.254 68 HZ2 LYS 11 1HZ LYS 11 -8.709 -7.699 1.168 69 HZ3 LYS 11 2HZ LYS 11 -7.822 -6.325 0.738 70 H CYS 12 H CYS 12 -8.120 -4.962 -5.952 71 HA CYS 12 HA CYS 12 -5.518 -6.144 -5.377 72 HB2 CYS 12 1HB CYS 12 -6.453 -5.334 -8.125 73 HB3 CYS 12 2HB CYS 12 -4.746 -5.394 -7.705 74 HG CYS 12 HG CYS 12 -6.111 -7.719 -9.107 75 H PHE 13 H PHE 13 -4.266 -4.682 -4.432 76 HA PHE 13 HA PHE 13 -4.995 -1.855 -4.653 77 HB2 PHE 13 1HB PHE 13 -3.077 -3.140 -2.702 78 HB3 PHE 13 2HB PHE 13 -3.746 -1.514 -2.617 79 HD1 PHE 13 HD2 PHE 13 -4.771 -5.089 -2.624 80 HD2 PHE 13 HD1 PHE 13 -5.649 -1.118 -1.368 81 HE1 PHE 13 HE2 PHE 13 -6.640 -5.935 -1.266 82 HE2 PHE 13 HE1 PHE 13 -7.520 -1.958 -0.007 83 HZ PHE 13 HZ PHE 13 -8.018 -4.370 0.044 84 H LYS 14 H LYS 14 -4.024 -1.029 -6.424 85 HA LYS 14 HA LYS 14 -1.137 -1.498 -6.758 86 HB2 LYS 14 1HB LYS 14 -2.823 -2.058 -8.630 87 HB3 LYS 14 2HB LYS 14 -2.943 -0.317 -8.854 88 HG2 LYS 14 1HG LYS 14 -0.603 -0.169 -9.378 89 HG3 LYS 14 2HG LYS 14 -0.371 -1.876 -8.996 90 HD2 LYS 14 1HD LYS 14 -2.015 -2.402 -10.825 91 HD3 LYS 14 2HD LYS 14 -1.952 -0.696 -11.274 92 HE2 LYS 14 1HE LYS 14 0.559 -0.983 -11.460 93 HE3 LYS 14 2HE LYS 14 0.274 -2.719 -11.335 94 HZ1 LYS 14 3HZ LYS 14 -1.351 -2.315 -13.268 95 HZ2 LYS 14 1HZ LYS 14 0.308 -2.353 -13.599 96 HZ3 LYS 14 2HZ LYS 14 -0.500 -0.871 -13.495 97 H CYS 15 H CYS 15 0.193 0.106 -6.256 98 HA CYS 15 HA CYS 15 -0.586 2.560 -5.235 99 HB2 CYS 15 1HB CYS 15 1.742 1.295 -5.281 100 HB3 CYS 15 2HB CYS 15 2.037 2.364 -6.648 101 H ASN 16 H ASN 16 0.389 4.698 -6.261 102 HA ASN 16 HA ASN 16 -0.791 4.903 -8.948 103 HB2 ASN 16 1HB ASN 16 -0.483 6.956 -6.752 104 HB3 ASN 16 2HB ASN 16 -0.995 7.358 -8.389 105 HD21 ASN 16 1HD2 ASN 16 -3.090 7.592 -8.561 106 HD22 ASN 16 2HD2 ASN 16 -4.295 6.714 -7.688 107 H LYS 17 H LYS 17 1.776 6.383 -6.964 108 HA LYS 17 HA LYS 17 3.159 7.592 -9.075 109 HB2 LYS 17 1HB LYS 17 3.813 6.827 -6.276 110 HB3 LYS 17 2HB LYS 17 5.159 7.197 -7.346 111 HG2 LYS 17 1HG LYS 17 4.617 9.199 -6.225 112 HG3 LYS 17 2HG LYS 17 4.004 9.369 -7.871 113 HD2 LYS 17 1HD LYS 17 2.223 10.140 -6.616 114 HD3 LYS 17 2HD LYS 17 1.792 8.445 -6.852 115 HE2 LYS 17 1HE LYS 17 1.448 8.607 -4.604 116 HE3 LYS 17 2HE LYS 17 3.154 8.164 -4.601 117 HZ1 LYS 17 3HZ LYS 17 3.130 9.959 -3.198 118 HZ2 LYS 17 1HZ LYS 17 1.913 10.769 -4.049 119 HZ3 LYS 17 2HZ LYS 17 3.487 10.723 -4.665 120 H CYS 18 H CYS 18 4.297 4.735 -7.269 121 HA CYS 18 HA CYS 18 6.022 3.944 -9.413 122 HB2 CYS 18 1HB CYS 18 6.541 2.007 -7.993 123 HB3 CYS 18 2HB CYS 18 6.627 3.510 -7.080 124 H GLU 19 H GLU 19 2.854 2.984 -8.250 125 HA GLU 19 HA GLU 19 1.192 1.784 -9.251 126 HB2 GLU 19 1HB GLU 19 2.994 1.440 -11.643 127 HB3 GLU 19 2HB GLU 19 1.238 1.361 -11.593 128 HG2 GLU 19 1HG GLU 19 1.095 3.725 -11.168 129 HG3 GLU 19 2HG GLU 19 2.850 3.843 -11.057 130 H LYS 20 H LYS 20 2.901 0.519 -7.503 131 HA LYS 20 HA LYS 20 3.494 -2.086 -8.710 132 HB2 LYS 20 1HB LYS 20 4.435 -0.635 -6.285 133 HB3 LYS 20 2HB LYS 20 4.409 -2.392 -6.226 134 HG2 LYS 20 1HG LYS 20 5.714 -2.286 -8.433 135 HG3 LYS 20 2HG LYS 20 6.003 -0.596 -8.014 136 HD2 LYS 20 1HD LYS 20 7.078 -1.235 -5.959 137 HD3 LYS 20 2HD LYS 20 6.655 -2.929 -6.216 138 HE2 LYS 20 1HE LYS 20 8.232 -1.525 -8.313 139 HE3 LYS 20 2HE LYS 20 9.049 -1.988 -6.821 140 HZ1 LYS 20 3HZ LYS 20 8.755 -3.596 -8.938 141 HZ2 LYS 20 1HZ LYS 20 7.415 -4.057 -8.013 142 HZ3 LYS 20 2HZ LYS 20 8.970 -4.150 -7.354 143 H THR 21 H THR 21 2.233 -3.798 -8.381 144 HA THR 21 HA THR 21 -0.191 -3.545 -6.882 145 HB THR 21 HB THR 21 -0.491 -5.986 -7.490 146 HG1 THR 21 HG1 THR 21 2.009 -6.028 -7.830 147 HG21 THR 21 3HG2 THR 21 0.143 -4.433 -9.964 148 HG22 THR 21 1HG2 THR 21 -1.128 -3.864 -8.883 149 HG23 THR 21 2HG2 THR 21 -1.243 -5.465 -9.612 150 H PHE 22 H PHE 22 -0.725 -4.367 -4.924 151 HA PHE 22 HA PHE 22 1.384 -5.810 -3.456 152 HB2 PHE 22 1HB PHE 22 -0.550 -3.710 -2.473 153 HB3 PHE 22 2HB PHE 22 0.384 -4.737 -1.391 154 HD1 PHE 22 HD2 PHE 22 0.537 -2.005 -3.824 155 HD2 PHE 22 HD1 PHE 22 2.746 -4.415 -1.098 156 HE1 PHE 22 HE2 PHE 22 2.422 -0.431 -3.965 157 HE2 PHE 22 HE1 PHE 22 4.635 -2.844 -1.234 158 HZ PHE 22 HZ PHE 22 4.475 -0.849 -2.670 159 H SER 23 H SER 23 0.309 -6.834 -1.372 160 HA SER 23 HA SER 23 -1.824 -8.558 -2.389 161 HB2 SER 23 1HB SER 23 0.126 -8.821 -0.101 162 HB3 SER 23 2HB SER 23 -1.244 -9.915 -0.296 163 HG SER 23 HG SER 23 -0.319 -10.798 -2.003 164 H CYS 24 H CYS 24 -1.020 -6.724 0.556 165 HA CYS 24 HA CYS 24 -3.868 -6.762 1.281 166 HB2 CYS 24 1HB CYS 24 -1.359 -6.370 2.900 167 HB3 CYS 24 2HB CYS 24 -2.940 -5.918 3.527 168 HG CYS 24 HG CYS 24 -1.722 -8.576 4.257 169 H SER 25 H SER 25 -4.366 -4.673 2.702 170 HA SER 25 HA SER 25 -3.971 -2.442 0.877 171 HB2 SER 25 1HB SER 25 -6.211 -3.201 2.022 172 HB3 SER 25 2HB SER 25 -5.609 -2.252 3.380 173 HG SER 25 HG SER 25 -5.515 -1.074 0.859 174 H LYS 26 H LYS 26 -3.762 -2.941 4.403 175 HA LYS 26 HA LYS 26 -2.640 -0.588 5.188 176 HB2 LYS 26 1HB LYS 26 -1.704 -1.745 7.079 177 HB3 LYS 26 2HB LYS 26 -3.252 -2.482 6.688 178 HG2 LYS 26 1HG LYS 26 -2.213 -4.377 5.726 179 HG3 LYS 26 2HG LYS 26 -0.629 -3.598 5.739 180 HD2 LYS 26 1HD LYS 26 -2.115 -4.018 8.301 181 HD3 LYS 26 2HD LYS 26 -1.220 -5.352 7.569 182 HE2 LYS 26 1HE LYS 26 0.822 -4.307 7.854 183 HE3 LYS 26 2HE LYS 26 0.105 -2.699 7.931 184 HZ1 LYS 26 3HZ LYS 26 0.203 -4.769 10.034 185 HZ2 LYS 26 1HZ LYS 26 -0.929 -3.514 10.096 186 HZ3 LYS 26 2HZ LYS 26 0.725 -3.162 10.108 187 H TYR 27 H TYR 27 -1.039 -3.256 3.559 188 HA TYR 27 HA TYR 27 1.618 -2.399 3.910 189 HB2 TYR 27 1HB TYR 27 0.235 -4.195 1.952 190 HB3 TYR 27 2HB TYR 27 1.913 -3.742 1.677 191 HD1 TYR 27 HD2 TYR 27 -0.284 -5.103 4.375 192 HD2 TYR 27 HD1 TYR 27 3.577 -5.065 2.586 193 HE1 TYR 27 HE2 TYR 27 0.441 -6.878 5.916 194 HE2 TYR 27 HE1 TYR 27 4.312 -6.840 4.122 195 HH TYR 27 HH TYR 27 3.265 -7.566 6.731 196 H LEU 28 H LEU 28 -0.790 -1.676 1.429 197 HA LEU 28 HA LEU 28 0.990 -0.143 -0.196 198 HB2 LEU 28 1HB LEU 28 -0.896 -1.143 -1.243 199 HB3 LEU 28 2HB LEU 28 -2.006 -0.391 -0.100 200 HG LEU 28 HG LEU 28 -1.463 1.815 -1.086 201 HD11 LEU 28 1HD1 LEU 28 -0.403 0.972 -3.574 202 HD12 LEU 28 2HD1 LEU 28 0.636 0.336 -2.299 203 HD13 LEU 28 3HD1 LEU 28 0.309 2.067 -2.389 204 HD21 LEU 28 3HD2 LEU 28 -2.874 1.578 -2.950 205 HD22 LEU 28 1HD2 LEU 28 -3.365 0.301 -1.837 206 HD23 LEU 28 2HD2 LEU 28 -2.360 -0.086 -3.234 207 H THR 29 H THR 29 -1.832 0.840 1.756 208 HA THR 29 HA THR 29 -1.723 3.518 1.647 209 HB THR 29 HB THR 29 -2.036 1.993 4.240 210 HG1 THR 29 HG1 THR 29 -3.496 1.261 2.654 211 HG21 THR 29 3HG2 THR 29 -3.115 4.696 3.436 212 HG22 THR 29 1HG2 THR 29 -1.733 4.439 4.501 213 HG23 THR 29 2HG2 THR 29 -3.337 3.892 4.990 214 H GLN 30 H GLN 30 0.228 1.613 3.947 215 HA GLN 30 HA GLN 30 1.683 3.812 4.946 216 HB2 GLN 30 1HB GLN 30 1.468 1.586 6.063 217 HB3 GLN 30 2HB GLN 30 2.565 0.923 4.858 218 HG2 GLN 30 1HG GLN 30 4.387 2.089 5.686 219 HG3 GLN 30 2HG GLN 30 3.378 3.270 6.518 220 HE21 GLN 30 1HE2 GLN 30 5.264 0.565 6.882 221 HE22 GLN 30 2HE2 GLN 30 4.730 0.066 8.447 222 H HIS 31 H HIS 31 2.469 1.400 2.459 223 HA HIS 31 HA HIS 31 5.043 2.167 1.842 224 HB2 HIS 31 1HB HIS 31 4.409 0.275 0.695 225 HB3 HIS 31 2HB HIS 31 2.825 0.925 0.283 226 HD1 HIS 31 HD1 HIS 31 6.138 0.346 -1.093 227 HD2 HIS 31 HD2 HIS 31 2.958 2.902 -1.879 228 HE1 HIS 31 HE1 HIS 31 6.544 1.231 -3.411 229 H GLU 32 H GLU 32 2.052 3.374 0.318 230 HA GLU 32 HA GLU 32 2.894 5.121 -1.510 231 HB2 GLU 32 1HB GLU 32 0.845 5.735 0.626 232 HB3 GLU 32 2HB GLU 32 1.036 6.643 -0.867 233 HG2 GLU 32 1HG GLU 32 0.423 4.722 -2.174 234 HG3 GLU 32 2HG GLU 32 0.373 3.712 -0.731 235 H ARG 33 H ARG 33 3.186 5.605 1.966 236 HA ARG 33 HA ARG 33 3.915 8.236 2.140 237 HB2 ARG 33 1HB ARG 33 5.223 5.955 3.634 238 HB3 ARG 33 2HB ARG 33 5.202 7.642 4.129 239 HG2 ARG 33 1HG ARG 33 2.613 6.244 3.682 240 HG3 ARG 33 2HG ARG 33 3.528 5.913 5.154 241 HD2 ARG 33 1HD ARG 33 2.655 8.637 4.196 242 HD3 ARG 33 2HD ARG 33 1.884 7.705 5.479 243 HE ARG 33 HE ARG 33 4.694 8.224 5.886 244 HH11 ARG 33 1HH1 ARG 33 1.437 9.342 6.400 245 HH12 ARG 33 2HH1 ARG 33 1.852 10.331 7.761 246 HH21 ARG 33 1HH2 ARG 33 5.253 9.523 7.676 247 HH22 ARG 33 2HH2 ARG 33 4.023 10.434 8.485 248 H ILE 34 H ILE 34 6.087 5.500 1.457 249 HA ILE 34 HA ILE 34 8.524 6.586 1.321 250 HB ILE 34 HB ILE 34 9.154 5.056 -0.370 251 HG12 ILE 34 1HG1 ILE 34 6.245 4.823 -1.163 252 HG13 ILE 34 2HG1 ILE 34 7.433 5.796 -2.024 253 HG21 ILE 34 1HG2 ILE 34 7.044 3.283 0.406 254 HG22 ILE 34 2HG2 ILE 34 8.725 3.316 0.937 255 HG23 ILE 34 3HG2 ILE 34 7.516 4.286 1.778 256 HD11 ILE 34 3HD1 ILE 34 8.707 3.804 -2.554 257 HD12 ILE 34 1HD1 ILE 34 7.567 2.814 -1.643 258 HD13 ILE 34 2HD1 ILE 34 7.041 3.645 -3.107 259 H HIS 35 H HIS 35 5.890 7.331 -0.849 260 HA HIS 35 HA HIS 35 7.579 8.910 -2.605 261 HB2 HIS 35 1HB HIS 35 4.565 8.689 -2.623 262 HB3 HIS 35 2HB HIS 35 5.600 9.262 -3.928 263 HD1 HIS 35 HD1 HIS 35 7.487 7.210 -4.578 264 HD2 HIS 35 HD2 HIS 35 3.737 6.178 -3.119 265 HE1 HIS 35 HE1 HIS 35 7.120 4.827 -5.292 266 H THR 36 H THR 36 8.226 10.248 -0.680 267 HA THR 36 HA THR 36 6.392 12.535 -0.453 268 HB THR 36 HB THR 36 7.233 12.833 1.919 269 HG1 THR 36 HG1 THR 36 8.076 10.955 2.909 270 HG21 THR 36 3HG2 THR 36 5.799 10.712 2.677 271 HG22 THR 36 1HG2 THR 36 5.366 10.733 0.968 272 HG23 THR 36 2HG2 THR 36 5.060 12.150 1.973 273 H ARG 37 H ARG 37 7.428 14.052 -1.603 274 HA ARG 37 HA ARG 37 10.260 14.228 -1.808 275 HB2 ARG 37 1HB ARG 37 8.670 15.030 -3.551 276 HB3 ARG 37 2HB ARG 37 8.198 16.336 -2.472 277 HG2 ARG 37 1HG ARG 37 11.073 15.994 -3.177 278 HG3 ARG 37 2HG ARG 37 9.970 16.734 -4.340 279 HD2 ARG 37 1HD ARG 37 9.256 18.255 -2.411 280 HD3 ARG 37 2HD ARG 37 10.699 17.673 -1.583 281 HE ARG 37 HE ARG 37 10.590 19.471 -3.847 282 HH11 ARG 37 1HH1 ARG 37 12.545 17.346 -1.902 283 HH12 ARG 37 2HH1 ARG 37 14.041 18.086 -2.365 284 HH21 ARG 37 1HH2 ARG 37 12.553 20.454 -4.464 285 HH22 ARG 37 2HH2 ARG 37 14.045 19.854 -3.822 286 H GLY 38 H GLY 38 11.658 15.103 -0.432 287 HA2 GLY 38 1HA GLY 38 12.358 17.042 0.849 288 HA3 GLY 38 2HA GLY 38 10.695 17.215 1.391 289 H VAL 39 H VAL 39 13.602 15.243 1.667 290 HA VAL 39 HA VAL 39 12.584 14.234 4.244 291 HB VAL 39 HB VAL 39 14.563 12.918 2.377 292 HG11 VAL 39 1HG1 VAL 39 13.460 11.393 4.628 293 HG12 VAL 39 2HG1 VAL 39 15.102 11.442 3.983 294 HG13 VAL 39 3HG1 VAL 39 14.548 12.702 5.085 295 HG21 VAL 39 3HG2 VAL 39 12.459 11.189 2.819 296 HG22 VAL 39 1HG2 VAL 39 11.674 12.760 2.661 297 HG23 VAL 39 2HG2 VAL 39 12.717 12.162 1.371 298 H LYS 40 H LYS 40 13.563 15.084 5.945 299 HA LYS 40 HA LYS 40 15.952 16.627 5.728 300 HB2 LYS 40 1HB LYS 40 13.976 16.866 7.398 301 HB3 LYS 40 2HB LYS 40 14.828 15.645 8.334 302 HG2 LYS 40 1HG LYS 40 16.574 17.048 8.835 303 HG3 LYS 40 2HG LYS 40 16.308 18.061 7.415 304 HD2 LYS 40 1HD LYS 40 14.386 19.074 8.410 305 HD3 LYS 40 2HD LYS 40 14.405 17.923 9.748 306 HE2 LYS 40 1HE LYS 40 15.380 19.779 10.709 307 HE3 LYS 40 2HE LYS 40 16.791 18.870 10.173 308 HZ1 LYS 40 3HZ LYS 40 15.633 21.329 9.048 309 HZ2 LYS 40 1HZ LYS 40 16.520 20.292 8.047 310 HZ3 LYS 40 2HZ LYS 40 17.247 20.975 9.413 311 H SER 41 H SER 41 17.950 16.247 6.845 312 HA SER 41 HA SER 41 19.814 14.987 7.211 313 HB2 SER 41 1HB SER 41 17.821 13.186 8.609 314 HB3 SER 41 2HB SER 41 19.568 13.167 8.843 315 HG SER 41 HG SER 41 18.733 14.414 10.459 316 H GLY 42 H GLY 42 18.701 14.590 4.694 317 HA2 GLY 42 1HA GLY 42 18.813 11.693 4.239 318 HA3 GLY 42 2HA GLY 42 18.248 12.895 3.088 319 HA PRO 43 HA PRO 43 22.128 12.581 1.055 320 HB2 PRO 43 1HB PRO 43 22.140 14.963 -0.247 321 HB3 PRO 43 2HB PRO 43 21.111 13.609 -0.730 322 HG2 PRO 43 1HG PRO 43 20.420 16.030 0.890 323 HG3 PRO 43 2HG PRO 43 19.496 15.251 -0.408 324 HD2 PRO 43 1HD PRO 43 18.932 14.871 2.213 325 HD3 PRO 43 2HD PRO 43 18.678 13.610 0.989 326 H SER 44 H SER 44 21.418 15.565 2.828 327 HA SER 44 HA SER 44 24.107 15.550 3.924 328 HB2 SER 44 1HB SER 44 24.751 17.700 3.189 329 HB3 SER 44 2HB SER 44 24.095 16.922 1.749 330 HG SER 44 HG SER 44 23.154 19.081 3.178 331 H SER 45 H SER 45 24.240 16.484 5.923 332 HA SER 45 HA SER 45 22.112 16.596 7.597 333 HB2 SER 45 1HB SER 45 24.724 18.083 7.651 334 HB3 SER 45 2HB SER 45 23.530 18.323 8.927 335 HG SER 45 HG SER 45 24.151 15.698 8.241 336 H GLY 46 H GLY 46 23.588 19.539 6.207 337 HA2 GLY 46 1HA GLY 46 21.036 20.930 6.661 338 HA3 GLY 46 2HA GLY 46 22.595 21.707 6.427 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -4.379 -15.146 -26.550 2 HA2 GLY 1 1HA GLY 1 -2.732 -16.927 -27.371 3 HA3 GLY 1 2HA GLY 1 -1.558 -15.995 -26.454 4 H SER 2 H SER 2 -1.986 -15.740 -24.119 5 HA SER 2 HA SER 2 -3.825 -17.527 -22.839 6 HB2 SER 2 1HB SER 2 -1.895 -19.015 -23.603 7 HB3 SER 2 2HB SER 2 -0.900 -18.153 -22.430 8 HG SER 2 HG SER 2 -2.425 -20.210 -21.962 9 H SER 3 H SER 3 -4.239 -16.895 -20.789 10 HA SER 3 HA SER 3 -2.332 -15.201 -19.377 11 HB2 SER 3 1HB SER 3 -3.905 -13.754 -20.791 12 HB3 SER 3 2HB SER 3 -5.184 -14.269 -19.692 13 HG SER 3 HG SER 3 -3.025 -12.573 -19.249 14 H GLY 4 H GLY 4 -2.721 -15.045 -17.121 15 HA2 GLY 4 1HA GLY 4 -4.517 -17.165 -16.125 16 HA3 GLY 4 2HA GLY 4 -3.030 -16.664 -15.334 17 H SER 5 H SER 5 -4.940 -16.730 -13.633 18 HA SER 5 HA SER 5 -6.766 -14.606 -13.511 19 HB2 SER 5 1HB SER 5 -5.588 -16.481 -11.499 20 HB3 SER 5 2HB SER 5 -6.518 -15.095 -10.929 21 HG SER 5 HG SER 5 -8.301 -15.956 -11.701 22 H SER 6 H SER 6 -3.692 -14.960 -11.732 23 HA SER 6 HA SER 6 -2.385 -13.402 -10.682 24 HB2 SER 6 1HB SER 6 -2.942 -12.109 -13.356 25 HB3 SER 6 2HB SER 6 -1.768 -11.467 -12.207 26 HG SER 6 HG SER 6 -0.986 -12.984 -13.890 27 H GLY 7 H GLY 7 -5.068 -13.250 -9.859 28 HA2 GLY 7 1HA GLY 7 -5.127 -10.856 -8.462 29 HA3 GLY 7 2HA GLY 7 -6.069 -10.591 -9.922 30 H GLN 8 H GLN 8 -7.729 -12.380 -10.359 31 HA GLN 8 HA GLN 8 -9.558 -13.583 -9.720 32 HB2 GLN 8 1HB GLN 8 -7.804 -14.715 -8.208 33 HB3 GLN 8 2HB GLN 8 -8.471 -13.722 -6.919 34 HG2 GLN 8 1HG GLN 8 -10.541 -14.791 -7.002 35 HG3 GLN 8 2HG GLN 8 -10.223 -15.477 -8.595 36 HE21 GLN 8 1HE2 GLN 8 -11.013 -16.750 -6.062 37 HE22 GLN 8 2HE2 GLN 8 -9.813 -17.954 -5.754 38 H LYS 9 H LYS 9 -9.515 -10.745 -9.635 39 HA LYS 9 HA LYS 9 -10.505 -8.907 -8.643 40 HB2 LYS 9 1HB LYS 9 -12.725 -10.959 -8.648 41 HB3 LYS 9 2HB LYS 9 -12.963 -9.225 -8.483 42 HG2 LYS 9 1HG LYS 9 -13.382 -9.571 -10.720 43 HG3 LYS 9 2HG LYS 9 -11.685 -9.083 -10.731 44 HD2 LYS 9 1HD LYS 9 -10.943 -11.288 -11.066 45 HD3 LYS 9 2HD LYS 9 -12.504 -11.972 -10.608 46 HE2 LYS 9 1HE LYS 9 -12.310 -10.156 -12.973 47 HE3 LYS 9 2HE LYS 9 -11.813 -11.841 -13.122 48 HZ1 LYS 9 3HZ LYS 9 -13.975 -12.134 -13.596 49 HZ2 LYS 9 1HZ LYS 9 -14.467 -10.713 -12.820 50 HZ3 LYS 9 2HZ LYS 9 -14.173 -12.112 -11.916 51 H GLU 10 H GLU 10 -8.990 -9.890 -6.693 52 HA GLU 10 HA GLU 10 -10.658 -10.367 -4.345 53 HB2 GLU 10 1HB GLU 10 -8.612 -10.910 -3.190 54 HB3 GLU 10 2HB GLU 10 -8.636 -11.757 -4.730 55 HG2 GLU 10 1HG GLU 10 -6.991 -10.406 -5.647 56 HG3 GLU 10 2HG GLU 10 -7.251 -9.122 -4.467 57 H LYS 11 H LYS 11 -10.429 -7.746 -5.801 58 HA LYS 11 HA LYS 11 -10.541 -5.548 -5.208 59 HB2 LYS 11 1HB LYS 11 -11.511 -6.550 -3.066 60 HB3 LYS 11 2HB LYS 11 -9.906 -6.353 -2.374 61 HG2 LYS 11 1HG LYS 11 -10.013 -3.961 -2.728 62 HG3 LYS 11 2HG LYS 11 -11.584 -4.127 -3.516 63 HD2 LYS 11 1HD LYS 11 -12.461 -5.104 -1.391 64 HD3 LYS 11 2HD LYS 11 -10.914 -4.717 -0.634 65 HE2 LYS 11 1HE LYS 11 -11.280 -2.432 -0.760 66 HE3 LYS 11 2HE LYS 11 -12.461 -2.591 -2.059 67 HZ1 LYS 11 3HZ LYS 11 -13.893 -2.252 -0.372 68 HZ2 LYS 11 1HZ LYS 11 -12.825 -2.811 0.816 69 HZ3 LYS 11 2HZ LYS 11 -13.698 -3.914 -0.123 70 H CYS 12 H CYS 12 -8.084 -6.825 -6.035 71 HA CYS 12 HA CYS 12 -5.805 -6.215 -4.660 72 HB2 CYS 12 1HB CYS 12 -6.374 -6.066 -7.618 73 HB3 CYS 12 2HB CYS 12 -4.762 -5.821 -6.958 74 HG CYS 12 HG CYS 12 -5.619 -8.541 -5.579 75 H PHE 13 H PHE 13 -4.211 -4.439 -5.105 76 HA PHE 13 HA PHE 13 -5.453 -1.849 -5.645 77 HB2 PHE 13 1HB PHE 13 -3.762 -2.274 -3.182 78 HB3 PHE 13 2HB PHE 13 -4.693 -0.845 -3.619 79 HD1 PHE 13 HD1 PHE 13 -7.183 -0.941 -3.556 80 HD2 PHE 13 HD2 PHE 13 -4.741 -4.061 -2.002 81 HE1 PHE 13 HE1 PHE 13 -9.096 -1.790 -2.263 82 HE2 PHE 13 HE2 PHE 13 -6.650 -4.916 -0.708 83 HZ PHE 13 HZ PHE 13 -8.832 -3.781 -0.838 84 H LYS 14 H LYS 14 -4.177 -0.552 -6.808 85 HA LYS 14 HA LYS 14 -1.318 -1.247 -7.005 86 HB2 LYS 14 1HB LYS 14 -2.260 -1.781 -9.101 87 HB3 LYS 14 2HB LYS 14 -3.270 -0.341 -9.109 88 HG2 LYS 14 1HG LYS 14 -1.502 1.050 -9.682 89 HG3 LYS 14 2HG LYS 14 -0.287 -0.114 -9.151 90 HD2 LYS 14 1HD LYS 14 -2.123 -0.849 -11.385 91 HD3 LYS 14 2HD LYS 14 -0.776 0.245 -11.705 92 HE2 LYS 14 1HE LYS 14 0.802 -1.365 -11.317 93 HE3 LYS 14 2HE LYS 14 -0.223 -2.252 -10.190 94 HZ1 LYS 14 3HZ LYS 14 -0.624 -3.641 -11.856 95 HZ2 LYS 14 1HZ LYS 14 0.121 -2.630 -12.990 96 HZ3 LYS 14 2HZ LYS 14 -1.512 -2.412 -12.606 97 H CYS 15 H CYS 15 0.176 0.457 -7.227 98 HA CYS 15 HA CYS 15 -0.649 2.893 -5.902 99 HB2 CYS 15 1HB CYS 15 1.567 1.519 -5.590 100 HB3 CYS 15 2HB CYS 15 2.112 2.458 -6.976 101 H ASN 16 H ASN 16 0.498 4.969 -6.800 102 HA ASN 16 HA ASN 16 -0.308 5.194 -9.618 103 HB2 ASN 16 1HB ASN 16 -0.062 7.311 -7.470 104 HB3 ASN 16 2HB ASN 16 -0.487 7.636 -9.148 105 HD21 ASN 16 1HD2 ASN 16 -2.263 5.844 -9.840 106 HD22 ASN 16 2HD2 ASN 16 -3.654 5.873 -8.815 107 H LYS 17 H LYS 17 2.117 6.507 -7.358 108 HA LYS 17 HA LYS 17 3.809 7.599 -9.307 109 HB2 LYS 17 1HB LYS 17 4.226 6.709 -6.469 110 HB3 LYS 17 2HB LYS 17 5.582 7.274 -7.436 111 HG2 LYS 17 1HG LYS 17 4.850 9.143 -6.228 112 HG3 LYS 17 2HG LYS 17 4.224 9.370 -7.862 113 HD2 LYS 17 1HD LYS 17 2.039 8.624 -7.185 114 HD3 LYS 17 2HD LYS 17 2.639 8.189 -5.583 115 HE2 LYS 17 1HE LYS 17 3.172 10.554 -5.166 116 HE3 LYS 17 2HE LYS 17 2.521 10.969 -6.751 117 HZ1 LYS 17 3HZ LYS 17 0.630 11.280 -5.625 118 HZ2 LYS 17 1HZ LYS 17 1.137 10.372 -4.290 119 HZ3 LYS 17 2HZ LYS 17 0.493 9.594 -5.647 120 H CYS 18 H CYS 18 4.655 4.766 -7.325 121 HA CYS 18 HA CYS 18 6.517 3.811 -9.256 122 HB2 CYS 18 1HB CYS 18 6.746 1.870 -7.771 123 HB3 CYS 18 2HB CYS 18 6.804 3.376 -6.860 124 H GLU 19 H GLU 19 3.182 3.049 -8.463 125 HA GLU 19 HA GLU 19 1.579 1.941 -9.648 126 HB2 GLU 19 1HB GLU 19 3.603 1.434 -11.820 127 HB3 GLU 19 2HB GLU 19 1.854 1.521 -11.964 128 HG2 GLU 19 1HG GLU 19 1.905 3.901 -11.527 129 HG3 GLU 19 2HG GLU 19 3.650 3.838 -11.284 130 H LYS 20 H LYS 20 2.954 0.592 -7.703 131 HA LYS 20 HA LYS 20 3.468 -2.071 -8.835 132 HB2 LYS 20 1HB LYS 20 4.354 -0.681 -6.338 133 HB3 LYS 20 2HB LYS 20 4.280 -2.438 -6.360 134 HG2 LYS 20 1HG LYS 20 5.925 -2.606 -8.007 135 HG3 LYS 20 2HG LYS 20 5.755 -0.913 -8.476 136 HD2 LYS 20 1HD LYS 20 6.693 -0.221 -6.325 137 HD3 LYS 20 2HD LYS 20 6.849 -1.913 -5.845 138 HE2 LYS 20 1HE LYS 20 8.394 -2.295 -7.702 139 HE3 LYS 20 2HE LYS 20 8.229 -0.610 -8.191 140 HZ1 LYS 20 3HZ LYS 20 9.258 0.102 -6.184 141 HZ2 LYS 20 1HZ LYS 20 10.245 -1.098 -6.855 142 HZ3 LYS 20 2HZ LYS 20 9.247 -1.461 -5.538 143 H THR 21 H THR 21 2.423 -3.896 -8.030 144 HA THR 21 HA THR 21 -0.162 -3.341 -6.783 145 HB THR 21 HB THR 21 -0.730 -5.674 -7.423 146 HG1 THR 21 HG1 THR 21 1.667 -5.714 -8.929 147 HG21 THR 21 3HG2 THR 21 0.370 -4.126 -9.765 148 HG22 THR 21 1HG2 THR 21 -1.123 -3.701 -8.929 149 HG23 THR 21 2HG2 THR 21 -0.988 -5.250 -9.760 150 H PHE 22 H PHE 22 -0.864 -4.311 -4.902 151 HA PHE 22 HA PHE 22 1.160 -5.815 -3.378 152 HB2 PHE 22 1HB PHE 22 -0.749 -3.723 -2.311 153 HB3 PHE 22 2HB PHE 22 0.338 -4.701 -1.330 154 HD1 PHE 22 HD2 PHE 22 0.182 -2.056 -3.892 155 HD2 PHE 22 HD1 PHE 22 2.623 -4.143 -1.099 156 HE1 PHE 22 HE2 PHE 22 1.954 -0.375 -4.190 157 HE2 PHE 22 HE1 PHE 22 4.399 -2.465 -1.392 158 HZ PHE 22 HZ PHE 22 4.066 -0.579 -2.940 159 H SER 23 H SER 23 0.098 -6.949 -1.437 160 HA SER 23 HA SER 23 -2.111 -8.516 -2.486 161 HB2 SER 23 1HB SER 23 -0.100 -8.852 -0.312 162 HB3 SER 23 2HB SER 23 -1.635 -9.703 -0.143 163 HG SER 23 HG SER 23 -1.133 -10.351 -2.456 164 H CYS 24 H CYS 24 -1.388 -6.828 0.572 165 HA CYS 24 HA CYS 24 -4.282 -6.628 1.053 166 HB2 CYS 24 1HB CYS 24 -1.909 -6.839 2.844 167 HB3 CYS 24 2HB CYS 24 -3.289 -5.911 3.420 168 HG CYS 24 HG CYS 24 -3.136 -8.693 4.323 169 H SER 25 H SER 25 -4.787 -4.600 2.480 170 HA SER 25 HA SER 25 -4.002 -2.314 0.888 171 HB2 SER 25 1HB SER 25 -6.337 -2.485 1.443 172 HB3 SER 25 2HB SER 25 -5.971 -2.635 3.162 173 HG SER 25 HG SER 25 -5.682 -0.365 1.497 174 H LYS 26 H LYS 26 -3.579 -3.494 4.176 175 HA LYS 26 HA LYS 26 -2.493 -1.215 5.355 176 HB2 LYS 26 1HB LYS 26 -1.395 -2.796 6.935 177 HB3 LYS 26 2HB LYS 26 -3.109 -3.113 6.702 178 HG2 LYS 26 1HG LYS 26 -2.648 -4.985 5.300 179 HG3 LYS 26 2HG LYS 26 -0.928 -4.594 5.252 180 HD2 LYS 26 1HD LYS 26 -2.276 -5.116 7.871 181 HD3 LYS 26 2HD LYS 26 -1.781 -6.465 6.846 182 HE2 LYS 26 1HE LYS 26 0.119 -6.224 8.081 183 HE3 LYS 26 2HE LYS 26 0.485 -5.098 6.776 184 HZ1 LYS 26 3HZ LYS 26 -0.912 -4.109 9.162 185 HZ2 LYS 26 1HZ LYS 26 0.131 -3.291 8.112 186 HZ3 LYS 26 2HZ LYS 26 0.756 -4.379 9.245 187 H TYR 27 H TYR 27 -1.171 -3.327 2.992 188 HA TYR 27 HA TYR 27 1.580 -2.580 3.511 189 HB2 TYR 27 1HB TYR 27 0.184 -4.435 1.647 190 HB3 TYR 27 2HB TYR 27 1.762 -3.829 1.160 191 HD1 TYR 27 HD1 TYR 27 3.617 -3.995 3.058 192 HD2 TYR 27 HD2 TYR 27 0.105 -6.390 2.871 193 HE1 TYR 27 HE1 TYR 27 4.708 -5.694 4.462 194 HE2 TYR 27 HE2 TYR 27 1.186 -8.095 4.275 195 HH TYR 27 HH TYR 27 4.525 -8.079 4.943 196 H LEU 28 H LEU 28 -0.980 -1.799 1.231 197 HA LEU 28 HA LEU 28 0.690 -0.190 -0.456 198 HB2 LEU 28 1HB LEU 28 -1.286 -1.280 -1.345 199 HB3 LEU 28 2HB LEU 28 -2.309 -0.384 -0.224 200 HG LEU 28 HG LEU 28 -1.864 1.677 -1.383 201 HD11 LEU 28 1HD1 LEU 28 0.189 1.854 -2.261 202 HD12 LEU 28 2HD1 LEU 28 -0.540 1.130 -3.695 203 HD13 LEU 28 3HD1 LEU 28 0.329 0.118 -2.541 204 HD21 LEU 28 3HD2 LEU 28 -2.838 1.158 -3.577 205 HD22 LEU 28 1HD2 LEU 28 -3.657 0.302 -2.270 206 HD23 LEU 28 2HD2 LEU 28 -2.516 -0.556 -3.305 207 H THR 29 H THR 29 -1.561 0.407 2.192 208 HA THR 29 HA THR 29 -1.726 3.184 2.031 209 HB THR 29 HB THR 29 -1.748 1.500 4.543 210 HG1 THR 29 HG1 THR 29 -3.325 0.978 2.842 211 HG21 THR 29 3HG2 THR 29 -3.249 3.405 5.328 212 HG22 THR 29 1HG2 THR 29 -2.619 4.320 3.959 213 HG23 THR 29 2HG2 THR 29 -1.524 3.750 5.217 214 H GLN 30 H GLN 30 0.297 1.385 4.358 215 HA GLN 30 HA GLN 30 1.845 3.545 5.170 216 HB2 GLN 30 1HB GLN 30 2.259 0.582 5.182 217 HB3 GLN 30 2HB GLN 30 3.587 1.638 5.642 218 HG2 GLN 30 1HG GLN 30 0.911 1.978 6.915 219 HG3 GLN 30 2HG GLN 30 1.988 0.689 7.451 220 HE21 GLN 30 1HE2 GLN 30 1.252 3.998 7.606 221 HE22 GLN 30 2HE2 GLN 30 2.586 4.495 8.584 222 H HIS 31 H HIS 31 2.332 1.290 2.497 223 HA HIS 31 HA HIS 31 4.910 2.056 1.751 224 HB2 HIS 31 1HB HIS 31 4.227 0.161 0.636 225 HB3 HIS 31 2HB HIS 31 2.605 0.784 0.349 226 HD1 HIS 31 HD1 HIS 31 5.897 0.408 -1.219 227 HD2 HIS 31 HD2 HIS 31 2.460 2.653 -1.854 228 HE1 HIS 31 HE1 HIS 31 6.093 1.288 -3.566 229 H GLU 32 H GLU 32 1.784 3.235 0.505 230 HA GLU 32 HA GLU 32 2.526 5.032 -1.363 231 HB2 GLU 32 1HB GLU 32 0.396 5.166 0.740 232 HB3 GLU 32 2HB GLU 32 0.636 6.528 -0.345 233 HG2 GLU 32 1HG GLU 32 0.364 3.815 -1.523 234 HG3 GLU 32 2HG GLU 32 -1.076 4.612 -0.893 235 H ARG 33 H ARG 33 3.187 5.241 2.027 236 HA ARG 33 HA ARG 33 3.672 7.983 2.296 237 HB2 ARG 33 1HB ARG 33 5.057 5.691 3.702 238 HB3 ARG 33 2HB ARG 33 5.058 7.369 4.230 239 HG2 ARG 33 1HG ARG 33 2.766 7.310 4.763 240 HG3 ARG 33 2HG ARG 33 2.528 5.788 3.902 241 HD2 ARG 33 1HD ARG 33 2.564 5.190 6.167 242 HD3 ARG 33 2HD ARG 33 4.173 4.784 5.572 243 HE ARG 33 HE ARG 33 5.054 6.372 6.967 244 HH11 ARG 33 1HH1 ARG 33 1.618 6.865 6.694 245 HH12 ARG 33 2HH1 ARG 33 1.560 8.068 7.940 246 HH21 ARG 33 1HH2 ARG 33 4.990 7.955 8.608 247 HH22 ARG 33 2HH2 ARG 33 3.479 8.688 9.027 248 H ILE 34 H ILE 34 5.886 5.344 1.419 249 HA ILE 34 HA ILE 34 8.295 6.528 1.285 250 HB ILE 34 HB ILE 34 8.946 5.051 -0.437 251 HG12 ILE 34 1HG1 ILE 34 6.036 4.758 -1.211 252 HG13 ILE 34 2HG1 ILE 34 7.194 5.775 -2.061 253 HG21 ILE 34 1HG2 ILE 34 7.546 4.175 1.749 254 HG22 ILE 34 2HG2 ILE 34 6.772 3.307 0.425 255 HG23 ILE 34 3HG2 ILE 34 8.511 3.161 0.677 256 HD11 ILE 34 3HD1 ILE 34 8.296 3.992 -2.975 257 HD12 ILE 34 1HD1 ILE 34 7.815 2.892 -1.683 258 HD13 ILE 34 2HD1 ILE 34 6.646 3.373 -2.913 259 H HIS 35 H HIS 35 5.554 7.319 -0.686 260 HA HIS 35 HA HIS 35 7.173 9.036 -2.417 261 HB2 HIS 35 1HB HIS 35 4.198 8.590 -2.616 262 HB3 HIS 35 2HB HIS 35 5.295 9.170 -3.865 263 HD1 HIS 35 HD1 HIS 35 7.190 7.256 -4.556 264 HD2 HIS 35 HD2 HIS 35 3.628 5.961 -2.852 265 HE1 HIS 35 HE1 HIS 35 7.002 4.822 -5.159 266 H THR 36 H THR 36 7.687 10.603 -0.818 267 HA THR 36 HA THR 36 5.598 12.606 -0.505 268 HB THR 36 HB THR 36 6.455 12.878 1.961 269 HG1 THR 36 HG1 THR 36 6.628 10.073 1.846 270 HG21 THR 36 3HG2 THR 36 4.531 10.690 1.164 271 HG22 THR 36 1HG2 THR 36 4.138 12.400 1.333 272 HG23 THR 36 2HG2 THR 36 4.615 11.461 2.748 273 H ARG 37 H ARG 37 6.633 14.570 0.753 274 HA ARG 37 HA ARG 37 8.112 16.294 0.641 275 HB2 ARG 37 1HB ARG 37 10.078 13.999 0.591 276 HB3 ARG 37 2HB ARG 37 10.535 15.686 0.792 277 HG2 ARG 37 1HG ARG 37 8.514 14.553 2.648 278 HG3 ARG 37 2HG ARG 37 10.202 14.082 2.853 279 HD2 ARG 37 1HD ARG 37 10.019 15.951 4.215 280 HD3 ARG 37 2HD ARG 37 10.683 16.616 2.723 281 HE ARG 37 HE ARG 37 8.726 17.775 2.398 282 HH11 ARG 37 1HH1 ARG 37 8.284 15.418 4.921 283 HH12 ARG 37 2HH1 ARG 37 6.738 16.032 5.404 284 HH21 ARG 37 1HH2 ARG 37 6.691 18.594 3.024 285 HH22 ARG 37 2HH2 ARG 37 5.832 17.838 4.324 286 H GLY 38 H GLY 38 6.921 15.869 -1.729 287 HA2 GLY 38 1HA GLY 38 8.797 15.480 -3.867 288 HA3 GLY 38 2HA GLY 38 7.134 16.028 -4.024 289 H VAL 39 H VAL 39 9.099 17.119 -5.593 290 HA VAL 39 HA VAL 39 10.254 19.473 -4.513 291 HB VAL 39 HB VAL 39 10.575 20.147 -6.893 292 HG11 VAL 39 1HG1 VAL 39 11.974 18.404 -5.486 293 HG12 VAL 39 2HG1 VAL 39 11.413 17.298 -6.741 294 HG13 VAL 39 3HG1 VAL 39 12.345 18.731 -7.179 295 HG21 VAL 39 3HG2 VAL 39 8.513 19.124 -7.775 296 HG22 VAL 39 1HG2 VAL 39 9.947 18.621 -8.669 297 HG23 VAL 39 2HG2 VAL 39 9.207 17.526 -7.502 298 H LYS 40 H LYS 40 7.085 18.703 -5.517 299 HA LYS 40 HA LYS 40 6.374 21.561 -5.621 300 HB2 LYS 40 1HB LYS 40 5.908 20.308 -7.706 301 HB3 LYS 40 2HB LYS 40 4.870 19.216 -6.798 302 HG2 LYS 40 1HG LYS 40 3.652 21.443 -6.130 303 HG3 LYS 40 2HG LYS 40 4.411 22.041 -7.608 304 HD2 LYS 40 1HD LYS 40 3.294 20.456 -8.945 305 HD3 LYS 40 2HD LYS 40 2.828 19.485 -7.546 306 HE2 LYS 40 1HE LYS 40 1.855 22.295 -8.023 307 HE3 LYS 40 2HE LYS 40 0.988 20.861 -8.570 308 HZ1 LYS 40 3HZ LYS 40 0.006 21.237 -6.556 309 HZ2 LYS 40 1HZ LYS 40 1.412 21.846 -5.838 310 HZ3 LYS 40 2HZ LYS 40 1.240 20.182 -6.082 311 H SER 41 H SER 41 6.232 21.679 -3.330 312 HA SER 41 HA SER 41 4.141 20.072 -2.062 313 HB2 SER 41 1HB SER 41 6.397 20.335 -0.975 314 HB3 SER 41 2HB SER 41 6.022 22.043 -0.749 315 HG SER 41 HG SER 41 4.538 21.546 0.726 316 H GLY 42 H GLY 42 5.103 23.490 -2.373 317 HA2 GLY 42 1HA GLY 42 3.029 24.828 -3.148 318 HA3 GLY 42 2HA GLY 42 2.365 24.262 -1.623 319 HA PRO 43 HA PRO 43 5.206 28.142 -1.253 320 HB2 PRO 43 1HB PRO 43 3.443 30.151 -1.726 321 HB3 PRO 43 2HB PRO 43 4.450 29.439 -2.992 322 HG2 PRO 43 1HG PRO 43 1.583 28.897 -2.322 323 HG3 PRO 43 2HG PRO 43 2.341 29.100 -3.912 324 HD2 PRO 43 1HD PRO 43 1.746 26.668 -2.882 325 HD3 PRO 43 2HD PRO 43 3.141 26.939 -3.947 326 H SER 44 H SER 44 2.155 27.040 -0.166 327 HA SER 44 HA SER 44 2.065 28.876 2.096 328 HB2 SER 44 1HB SER 44 0.039 27.928 0.687 329 HB3 SER 44 2HB SER 44 0.175 26.575 1.809 330 HG SER 44 HG SER 44 -1.168 28.646 2.292 331 H SER 45 H SER 45 1.400 27.714 4.246 332 HA SER 45 HA SER 45 3.555 26.535 5.382 333 HB2 SER 45 1HB SER 45 2.131 25.771 7.166 334 HB3 SER 45 2HB SER 45 1.473 27.295 6.570 335 HG SER 45 HG SER 45 -0.053 25.491 6.904 336 H GLY 46 H GLY 46 4.682 24.790 4.850 337 HA2 GLY 46 1HA GLY 46 3.984 22.199 4.997 338 HA3 GLY 46 2HA GLY 46 3.443 22.620 3.379 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -28.828 -5.451 -21.486 2 HA2 GLY 1 1HA GLY 1 -30.024 -7.197 -20.576 3 HA3 GLY 1 2HA GLY 1 -29.251 -8.259 -21.743 4 H SER 2 H SER 2 -27.727 -6.245 -19.261 5 HA SER 2 HA SER 2 -26.284 -8.577 -18.300 6 HB2 SER 2 1HB SER 2 -26.062 -5.689 -17.419 7 HB3 SER 2 2HB SER 2 -24.938 -6.991 -17.033 8 HG SER 2 HG SER 2 -24.810 -5.395 -19.078 9 H SER 3 H SER 3 -26.033 -8.886 -15.926 10 HA SER 3 HA SER 3 -28.662 -8.698 -14.650 11 HB2 SER 3 1HB SER 3 -27.565 -10.932 -14.852 12 HB3 SER 3 2HB SER 3 -26.265 -10.348 -13.814 13 HG SER 3 HG SER 3 -28.247 -9.796 -12.392 14 H GLY 4 H GLY 4 -28.947 -7.875 -12.573 15 HA2 GLY 4 1HA GLY 4 -27.082 -5.787 -11.853 16 HA3 GLY 4 2HA GLY 4 -28.627 -6.120 -11.084 17 H SER 5 H SER 5 -25.258 -7.145 -11.283 18 HA SER 5 HA SER 5 -25.375 -7.908 -8.469 19 HB2 SER 5 1HB SER 5 -25.791 -10.020 -9.568 20 HB3 SER 5 2HB SER 5 -24.438 -9.762 -10.670 21 HG SER 5 HG SER 5 -23.122 -10.462 -9.191 22 H SER 6 H SER 6 -23.399 -7.782 -7.394 23 HA SER 6 HA SER 6 -21.649 -5.813 -8.024 24 HB2 SER 6 1HB SER 6 -21.184 -8.358 -6.473 25 HB3 SER 6 2HB SER 6 -19.951 -7.103 -6.600 26 HG SER 6 HG SER 6 -21.746 -7.157 -4.814 27 H GLY 7 H GLY 7 -19.998 -5.479 -9.388 28 HA2 GLY 7 1HA GLY 7 -19.221 -7.726 -11.126 29 HA3 GLY 7 2HA GLY 7 -19.104 -6.025 -11.552 30 H GLN 8 H GLN 8 -18.044 -7.549 -8.546 31 HA GLN 8 HA GLN 8 -15.253 -7.279 -9.352 32 HB2 GLN 8 1HB GLN 8 -16.443 -5.899 -6.942 33 HB3 GLN 8 2HB GLN 8 -14.717 -6.083 -7.223 34 HG2 GLN 8 1HG GLN 8 -16.466 -4.767 -9.260 35 HG3 GLN 8 2HG GLN 8 -15.862 -3.872 -7.866 36 HE21 GLN 8 1HE2 GLN 8 -14.107 -2.759 -8.280 37 HE22 GLN 8 2HE2 GLN 8 -12.856 -3.191 -9.390 38 H LYS 9 H LYS 9 -14.258 -9.103 -8.845 39 HA LYS 9 HA LYS 9 -15.297 -10.709 -6.611 40 HB2 LYS 9 1HB LYS 9 -13.887 -11.417 -9.162 41 HB3 LYS 9 2HB LYS 9 -13.831 -12.516 -7.790 42 HG2 LYS 9 1HG LYS 9 -16.163 -12.843 -7.827 43 HG3 LYS 9 2HG LYS 9 -16.413 -11.478 -8.917 44 HD2 LYS 9 1HD LYS 9 -15.734 -12.652 -10.763 45 HD3 LYS 9 2HD LYS 9 -14.673 -13.712 -9.832 46 HE2 LYS 9 1HE LYS 9 -16.409 -15.099 -9.190 47 HE3 LYS 9 2HE LYS 9 -17.633 -13.856 -9.446 48 HZ1 LYS 9 3HZ LYS 9 -16.920 -14.081 -11.904 49 HZ2 LYS 9 1HZ LYS 9 -17.950 -15.244 -11.234 50 HZ3 LYS 9 2HZ LYS 9 -16.304 -15.582 -11.424 51 H GLU 10 H GLU 10 -12.161 -10.139 -8.223 52 HA GLU 10 HA GLU 10 -10.876 -10.333 -5.584 53 HB2 GLU 10 1HB GLU 10 -9.645 -10.649 -8.327 54 HB3 GLU 10 2HB GLU 10 -8.810 -10.853 -6.794 55 HG2 GLU 10 1HG GLU 10 -10.413 -12.704 -6.271 56 HG3 GLU 10 2HG GLU 10 -11.003 -12.568 -7.927 57 H LYS 11 H LYS 11 -10.172 -8.520 -4.693 58 HA LYS 11 HA LYS 11 -9.887 -6.129 -6.355 59 HB2 LYS 11 1HB LYS 11 -11.295 -6.144 -4.247 60 HB3 LYS 11 2HB LYS 11 -9.794 -6.293 -3.343 61 HG2 LYS 11 1HG LYS 11 -9.019 -4.171 -4.257 62 HG3 LYS 11 2HG LYS 11 -10.510 -4.024 -5.191 63 HD2 LYS 11 1HD LYS 11 -11.821 -3.797 -3.228 64 HD3 LYS 11 2HD LYS 11 -10.479 -4.287 -2.192 65 HE2 LYS 11 1HE LYS 11 -10.486 -1.993 -1.921 66 HE3 LYS 11 2HE LYS 11 -9.288 -2.209 -3.196 67 HZ1 LYS 11 3HZ LYS 11 -10.585 -1.193 -4.702 68 HZ2 LYS 11 1HZ LYS 11 -11.337 -0.509 -3.349 69 HZ3 LYS 11 2HZ LYS 11 -12.019 -1.861 -4.102 70 H CYS 12 H CYS 12 -7.990 -5.108 -6.688 71 HA CYS 12 HA CYS 12 -5.617 -6.152 -5.289 72 HB2 CYS 12 1HB CYS 12 -5.971 -5.483 -8.208 73 HB3 CYS 12 2HB CYS 12 -4.383 -5.593 -7.459 74 HG CYS 12 HG CYS 12 -4.213 -8.189 -7.333 75 H PHE 13 H PHE 13 -4.808 -4.630 -4.019 76 HA PHE 13 HA PHE 13 -5.343 -1.836 -4.491 77 HB2 PHE 13 1HB PHE 13 -3.549 -3.040 -2.379 78 HB3 PHE 13 2HB PHE 13 -4.297 -1.446 -2.364 79 HD1 PHE 13 HD1 PHE 13 -6.787 -1.273 -2.138 80 HD2 PHE 13 HD2 PHE 13 -4.676 -4.922 -1.544 81 HE1 PHE 13 HE1 PHE 13 -8.719 -2.189 -0.920 82 HE2 PHE 13 HE2 PHE 13 -6.605 -5.844 -0.327 83 HZ PHE 13 HZ PHE 13 -8.630 -4.477 -0.014 84 H LYS 14 H LYS 14 -4.247 -1.036 -6.203 85 HA LYS 14 HA LYS 14 -1.351 -1.510 -6.350 86 HB2 LYS 14 1HB LYS 14 -2.880 -1.976 -8.343 87 HB3 LYS 14 2HB LYS 14 -3.062 -0.232 -8.479 88 HG2 LYS 14 1HG LYS 14 -0.922 0.076 -9.210 89 HG3 LYS 14 2HG LYS 14 -0.313 -1.355 -8.374 90 HD2 LYS 14 1HD LYS 14 -0.252 -2.054 -10.568 91 HD3 LYS 14 2HD LYS 14 -1.844 -2.633 -10.068 92 HE2 LYS 14 1HE LYS 14 -1.505 0.074 -11.311 93 HE3 LYS 14 2HE LYS 14 -1.620 -1.373 -12.312 94 HZ1 LYS 14 3HZ LYS 14 -3.639 -0.665 -10.261 95 HZ2 LYS 14 1HZ LYS 14 -3.766 -1.832 -11.479 96 HZ3 LYS 14 2HZ LYS 14 -3.764 -0.189 -11.880 97 H CYS 15 H CYS 15 0.106 0.194 -6.488 98 HA CYS 15 HA CYS 15 -0.666 2.581 -5.115 99 HB2 CYS 15 1HB CYS 15 1.641 1.283 -5.194 100 HB3 CYS 15 2HB CYS 15 1.949 2.370 -6.545 101 H ASN 16 H ASN 16 0.381 4.717 -6.113 102 HA ASN 16 HA ASN 16 -0.856 5.018 -8.765 103 HB2 ASN 16 1HB ASN 16 -0.398 7.002 -6.533 104 HB3 ASN 16 2HB ASN 16 -0.902 7.480 -8.152 105 HD21 ASN 16 1HD2 ASN 16 -2.692 8.353 -6.780 106 HD22 ASN 16 2HD2 ASN 16 -4.049 7.319 -6.506 107 H LYS 17 H LYS 17 1.782 6.494 -6.865 108 HA LYS 17 HA LYS 17 3.166 7.615 -8.997 109 HB2 LYS 17 1HB LYS 17 3.929 6.748 -6.242 110 HB3 LYS 17 2HB LYS 17 5.205 7.198 -7.365 111 HG2 LYS 17 1HG LYS 17 4.818 9.203 -6.352 112 HG3 LYS 17 2HG LYS 17 3.708 9.324 -7.719 113 HD2 LYS 17 1HD LYS 17 1.880 8.524 -6.266 114 HD3 LYS 17 2HD LYS 17 3.003 8.491 -4.905 115 HE2 LYS 17 1HE LYS 17 1.773 10.526 -4.767 116 HE3 LYS 17 2HE LYS 17 3.406 10.932 -5.293 117 HZ1 LYS 17 3HZ LYS 17 2.033 10.524 -7.615 118 HZ2 LYS 17 1HZ LYS 17 2.430 12.025 -6.944 119 HZ3 LYS 17 2HZ LYS 17 0.917 11.335 -6.636 120 H CYS 18 H CYS 18 4.193 4.671 -7.262 121 HA CYS 18 HA CYS 18 5.831 3.844 -9.473 122 HB2 CYS 18 1HB CYS 18 6.350 1.891 -8.079 123 HB3 CYS 18 2HB CYS 18 6.519 3.387 -7.166 124 H GLU 19 H GLU 19 2.682 3.001 -8.180 125 HA GLU 19 HA GLU 19 0.944 1.839 -9.087 126 HB2 GLU 19 1HB GLU 19 2.596 1.505 -11.587 127 HB3 GLU 19 2HB GLU 19 0.845 1.456 -11.436 128 HG2 GLU 19 1HG GLU 19 0.753 3.805 -10.992 129 HG3 GLU 19 2HG GLU 19 2.512 3.904 -10.916 130 H LYS 20 H LYS 20 2.666 0.489 -7.451 131 HA LYS 20 HA LYS 20 3.135 -2.103 -8.744 132 HB2 LYS 20 1HB LYS 20 4.212 -0.787 -6.277 133 HB3 LYS 20 2HB LYS 20 4.257 -2.539 -6.419 134 HG2 LYS 20 1HG LYS 20 5.396 -2.101 -8.690 135 HG3 LYS 20 2HG LYS 20 5.679 -0.478 -8.054 136 HD2 LYS 20 1HD LYS 20 7.613 -1.672 -7.488 137 HD3 LYS 20 2HD LYS 20 6.660 -1.654 -6.003 138 HE2 LYS 20 1HE LYS 20 6.088 -3.891 -6.193 139 HE3 LYS 20 2HE LYS 20 6.388 -3.924 -7.930 140 HZ1 LYS 20 3HZ LYS 20 8.815 -3.474 -7.219 141 HZ2 LYS 20 1HZ LYS 20 8.196 -5.043 -7.091 142 HZ3 LYS 20 2HZ LYS 20 8.319 -4.068 -5.715 143 H THR 21 H THR 21 2.150 -3.962 -8.067 144 HA THR 21 HA THR 21 -0.282 -3.626 -6.524 145 HB THR 21 HB THR 21 -0.696 -6.019 -7.114 146 HG1 THR 21 HG1 THR 21 1.476 -5.860 -8.904 147 HG21 THR 21 3HG2 THR 21 -0.136 -5.016 -9.766 148 HG22 THR 21 1HG2 THR 21 -0.816 -3.753 -8.740 149 HG23 THR 21 2HG2 THR 21 -1.688 -5.270 -8.968 150 H PHE 22 H PHE 22 -0.689 -4.435 -4.529 151 HA PHE 22 HA PHE 22 1.497 -5.897 -3.201 152 HB2 PHE 22 1HB PHE 22 -0.360 -3.846 -1.976 153 HB3 PHE 22 2HB PHE 22 0.868 -4.759 -1.107 154 HD1 PHE 22 HD2 PHE 22 0.304 -2.155 -3.646 155 HD2 PHE 22 HD1 PHE 22 3.154 -4.130 -1.178 156 HE1 PHE 22 HE2 PHE 22 1.960 -0.413 -4.171 157 HE2 PHE 22 HE1 PHE 22 4.815 -2.391 -1.698 158 HZ PHE 22 HZ PHE 22 4.220 -0.530 -3.197 159 H SER 23 H SER 23 0.612 -6.940 -1.081 160 HA SER 23 HA SER 23 -1.463 -8.757 -1.897 161 HB2 SER 23 1HB SER 23 -0.029 -8.562 0.763 162 HB3 SER 23 2HB SER 23 -0.988 -9.927 0.191 163 HG SER 23 HG SER 23 1.453 -8.961 -0.883 164 H CYS 24 H CYS 24 -1.067 -6.577 0.900 165 HA CYS 24 HA CYS 24 -4.005 -6.453 1.090 166 HB2 CYS 24 1HB CYS 24 -1.866 -6.446 3.195 167 HB3 CYS 24 2HB CYS 24 -3.422 -5.692 3.519 168 HG CYS 24 HG CYS 24 -4.449 -8.413 2.427 169 H SER 25 H SER 25 -4.915 -4.415 1.820 170 HA SER 25 HA SER 25 -3.873 -2.213 0.388 171 HB2 SER 25 1HB SER 25 -5.703 -0.931 1.421 172 HB3 SER 25 2HB SER 25 -6.277 -2.485 0.818 173 HG SER 25 HG SER 25 -5.773 -3.160 3.130 174 H LYS 26 H LYS 26 -3.686 -3.192 3.751 175 HA LYS 26 HA LYS 26 -2.828 -0.868 4.965 176 HB2 LYS 26 1HB LYS 26 -3.275 -2.787 6.309 177 HB3 LYS 26 2HB LYS 26 -2.059 -3.741 5.470 178 HG2 LYS 26 1HG LYS 26 -0.304 -2.311 6.410 179 HG3 LYS 26 2HG LYS 26 -1.535 -1.390 7.277 180 HD2 LYS 26 1HD LYS 26 -0.781 -2.893 8.881 181 HD3 LYS 26 2HD LYS 26 -2.230 -3.681 8.252 182 HE2 LYS 26 1HE LYS 26 0.434 -4.268 7.031 183 HE3 LYS 26 2HE LYS 26 -0.020 -5.038 8.551 184 HZ1 LYS 26 3HZ LYS 26 -0.874 -6.552 7.130 185 HZ2 LYS 26 1HZ LYS 26 -1.091 -5.442 5.872 186 HZ3 LYS 26 2HZ LYS 26 -2.203 -5.505 7.145 187 H TYR 27 H TYR 27 -0.702 -3.419 3.654 188 HA TYR 27 HA TYR 27 1.717 -2.138 3.975 189 HB2 TYR 27 1HB TYR 27 0.927 -3.928 1.668 190 HB3 TYR 27 2HB TYR 27 2.572 -3.579 2.189 191 HD1 TYR 27 HD1 TYR 27 2.769 -3.976 4.927 192 HD2 TYR 27 HD2 TYR 27 0.217 -6.042 2.221 193 HE1 TYR 27 HE1 TYR 27 2.689 -5.888 6.472 194 HE2 TYR 27 HE2 TYR 27 0.128 -7.959 3.759 195 HH TYR 27 HH TYR 27 0.583 -8.646 5.874 196 H LEU 28 H LEU 28 -0.604 -1.830 1.330 197 HA LEU 28 HA LEU 28 0.985 -0.213 -0.345 198 HB2 LEU 28 1HB LEU 28 -0.926 -1.300 -1.253 199 HB3 LEU 28 2HB LEU 28 -1.995 -0.536 -0.078 200 HG LEU 28 HG LEU 28 -1.562 1.646 -1.168 201 HD11 LEU 28 1HD1 LEU 28 0.661 0.930 -2.116 202 HD12 LEU 28 2HD1 LEU 28 -0.394 1.817 -3.216 203 HD13 LEU 28 3HD1 LEU 28 -0.243 0.066 -3.361 204 HD21 LEU 28 3HD2 LEU 28 -2.592 -0.506 -3.015 205 HD22 LEU 28 1HD2 LEU 28 -2.928 1.221 -3.137 206 HD23 LEU 28 2HD2 LEU 28 -3.525 0.304 -1.754 207 H THR 29 H THR 29 -1.554 0.648 1.998 208 HA THR 29 HA THR 29 -1.592 3.374 1.720 209 HB THR 29 HB THR 29 -1.758 1.839 4.321 210 HG1 THR 29 HG1 THR 29 -3.516 1.152 3.339 211 HG21 THR 29 3HG2 THR 29 -3.368 4.189 4.273 212 HG22 THR 29 1HG2 THR 29 -1.717 4.635 3.842 213 HG23 THR 29 2HG2 THR 29 -2.036 3.790 5.357 214 H GLN 30 H GLN 30 0.369 1.684 4.181 215 HA GLN 30 HA GLN 30 1.880 3.895 4.950 216 HB2 GLN 30 1HB GLN 30 1.732 1.705 6.159 217 HB3 GLN 30 2HB GLN 30 2.814 1.022 4.953 218 HG2 GLN 30 1HG GLN 30 4.348 3.030 5.652 219 HG3 GLN 30 2HG GLN 30 3.380 2.971 7.125 220 HE21 GLN 30 1HE2 GLN 30 5.166 2.345 8.346 221 HE22 GLN 30 2HE2 GLN 30 5.812 0.745 8.268 222 H HIS 31 H HIS 31 2.618 1.385 2.545 223 HA HIS 31 HA HIS 31 5.154 2.143 1.802 224 HB2 HIS 31 1HB HIS 31 4.464 0.208 0.752 225 HB3 HIS 31 2HB HIS 31 2.881 0.865 0.346 226 HD1 HIS 31 HD1 HIS 31 6.123 0.143 -1.092 227 HD2 HIS 31 HD2 HIS 31 3.037 2.815 -1.862 228 HE1 HIS 31 HE1 HIS 31 6.507 0.954 -3.442 229 H GLU 32 H GLU 32 2.140 3.237 0.233 230 HA GLU 32 HA GLU 32 2.965 4.959 -1.624 231 HB2 GLU 32 1HB GLU 32 0.758 5.194 0.377 232 HB3 GLU 32 2HB GLU 32 1.081 6.553 -0.691 233 HG2 GLU 32 1HG GLU 32 0.799 3.850 -1.891 234 HG3 GLU 32 2HG GLU 32 -0.650 4.679 -1.324 235 H ARG 33 H ARG 33 3.296 5.462 1.826 236 HA ARG 33 HA ARG 33 3.899 8.151 1.950 237 HB2 ARG 33 1HB ARG 33 5.202 5.923 3.525 238 HB3 ARG 33 2HB ARG 33 5.200 7.625 3.967 239 HG2 ARG 33 1HG ARG 33 2.649 6.094 3.598 240 HG3 ARG 33 2HG ARG 33 3.529 6.088 5.127 241 HD2 ARG 33 1HD ARG 33 2.602 8.576 3.699 242 HD3 ARG 33 2HD ARG 33 1.717 7.790 5.006 243 HE ARG 33 HE ARG 33 4.411 8.411 5.729 244 HH11 ARG 33 1HH1 ARG 33 1.205 9.726 5.405 245 HH12 ARG 33 2HH1 ARG 33 1.458 10.976 6.578 246 HH21 ARG 33 1HH2 ARG 33 4.757 10.052 7.275 247 HH22 ARG 33 2HH2 ARG 33 3.479 11.161 7.640 248 H ILE 34 H ILE 34 6.157 5.456 1.387 249 HA ILE 34 HA ILE 34 8.568 6.579 1.266 250 HB ILE 34 HB ILE 34 9.247 5.060 -0.430 251 HG12 ILE 34 1HG1 ILE 34 6.347 4.670 -1.189 252 HG13 ILE 34 2HG1 ILE 34 7.441 5.745 -2.052 253 HG21 ILE 34 1HG2 ILE 34 8.895 3.358 0.948 254 HG22 ILE 34 2HG2 ILE 34 7.605 4.270 1.729 255 HG23 ILE 34 3HG2 ILE 34 7.236 3.209 0.370 256 HD11 ILE 34 3HD1 ILE 34 8.917 3.744 -2.432 257 HD12 ILE 34 1HD1 ILE 34 7.592 2.757 -1.815 258 HD13 ILE 34 2HD1 ILE 34 7.365 3.731 -3.269 259 H HIS 35 H HIS 35 5.981 7.211 -1.011 260 HA HIS 35 HA HIS 35 7.658 8.799 -2.751 261 HB2 HIS 35 1HB HIS 35 4.643 8.612 -2.761 262 HB3 HIS 35 2HB HIS 35 5.687 9.132 -4.081 263 HD1 HIS 35 HD1 HIS 35 7.506 7.055 -4.741 264 HD2 HIS 35 HD2 HIS 35 3.804 6.080 -3.126 265 HE1 HIS 35 HE1 HIS 35 7.106 4.655 -5.377 266 H THR 36 H THR 36 4.712 9.529 -0.871 267 HA THR 36 HA THR 36 4.987 12.321 -1.030 268 HB THR 36 HB THR 36 3.425 12.348 0.965 269 HG1 THR 36 HG1 THR 36 3.079 9.587 0.579 270 HG21 THR 36 3HG2 THR 36 2.752 12.248 -1.491 271 HG22 THR 36 1HG2 THR 36 1.542 11.732 -0.318 272 HG23 THR 36 2HG2 THR 36 2.456 10.530 -1.229 273 H ARG 37 H ARG 37 6.396 13.633 -0.088 274 HA ARG 37 HA ARG 37 8.075 12.649 2.067 275 HB2 ARG 37 1HB ARG 37 8.121 15.263 0.548 276 HB3 ARG 37 2HB ARG 37 9.313 14.770 1.743 277 HG2 ARG 37 1HG ARG 37 8.804 12.954 -0.549 278 HG3 ARG 37 2HG ARG 37 9.711 14.439 -0.842 279 HD2 ARG 37 1HD ARG 37 11.395 13.829 0.696 280 HD3 ARG 37 2HD ARG 37 10.411 12.533 1.374 281 HE ARG 37 HE ARG 37 10.693 11.754 -1.179 282 HH11 ARG 37 1HH1 ARG 37 12.991 12.850 1.195 283 HH12 ARG 37 2HH1 ARG 37 14.297 11.907 0.557 284 HH21 ARG 37 1HH2 ARG 37 12.404 10.508 -2.029 285 HH22 ARG 37 2HH2 ARG 37 13.962 10.576 -1.277 286 H GLY 38 H GLY 38 5.854 15.370 1.495 287 HA2 GLY 38 1HA GLY 38 4.637 16.657 2.955 288 HA3 GLY 38 2HA GLY 38 4.762 15.314 4.083 289 H VAL 39 H VAL 39 5.267 16.266 5.965 290 HA VAL 39 HA VAL 39 6.255 17.766 7.428 291 HB VAL 39 HB VAL 39 8.616 17.267 7.754 292 HG11 VAL 39 1HG1 VAL 39 8.457 14.804 7.948 293 HG12 VAL 39 2HG1 VAL 39 7.038 15.642 8.581 294 HG13 VAL 39 3HG1 VAL 39 6.968 14.856 7.003 295 HG21 VAL 39 3HG2 VAL 39 8.651 15.501 5.348 296 HG22 VAL 39 1HG2 VAL 39 8.970 17.226 5.163 297 HG23 VAL 39 2HG2 VAL 39 9.993 16.249 6.215 298 H LYS 40 H LYS 40 5.585 19.137 5.076 299 HA LYS 40 HA LYS 40 7.795 20.617 4.054 300 HB2 LYS 40 1HB LYS 40 6.142 21.981 2.939 301 HB3 LYS 40 2HB LYS 40 5.667 20.292 2.819 302 HG2 LYS 40 1HG LYS 40 4.214 20.764 4.882 303 HG3 LYS 40 2HG LYS 40 4.469 22.467 4.492 304 HD2 LYS 40 1HD LYS 40 3.372 22.275 2.430 305 HD3 LYS 40 2HD LYS 40 3.495 20.514 2.429 306 HE2 LYS 40 1HE LYS 40 1.762 20.262 3.933 307 HE3 LYS 40 2HE LYS 40 1.960 21.884 4.593 308 HZ1 LYS 40 3HZ LYS 40 0.717 22.804 2.955 309 HZ2 LYS 40 1HZ LYS 40 0.005 21.269 2.953 310 HZ3 LYS 40 2HZ LYS 40 1.169 21.662 1.791 311 H SER 41 H SER 41 8.474 22.692 4.527 312 HA SER 41 HA SER 41 7.406 23.856 7.015 313 HB2 SER 41 1HB SER 41 9.587 22.939 7.493 314 HB3 SER 41 2HB SER 41 10.278 23.720 6.071 315 HG SER 41 HG SER 41 9.664 24.772 8.556 316 H GLY 42 H GLY 42 6.182 25.507 6.295 317 HA2 GLY 42 1HA GLY 42 6.379 27.901 5.802 318 HA3 GLY 42 2HA GLY 42 7.507 27.468 4.526 319 HA PRO 43 HA PRO 43 3.244 28.042 2.719 320 HB2 PRO 43 1HB PRO 43 4.011 29.803 0.801 321 HB3 PRO 43 2HB PRO 43 3.535 30.302 2.429 322 HG2 PRO 43 1HG PRO 43 6.278 29.934 1.286 323 HG3 PRO 43 2HG PRO 43 5.664 31.233 2.325 324 HD2 PRO 43 1HD PRO 43 7.141 29.177 3.283 325 HD3 PRO 43 2HD PRO 43 5.876 29.971 4.242 326 H SER 44 H SER 44 6.429 27.662 1.230 327 HA SER 44 HA SER 44 7.176 26.367 -0.484 328 HB2 SER 44 1HB SER 44 4.596 24.891 0.081 329 HB3 SER 44 2HB SER 44 5.838 24.312 -1.029 330 HG SER 44 HG SER 44 5.758 24.206 1.684 331 H SER 45 H SER 45 5.939 28.743 -1.186 332 HA SER 45 HA SER 45 3.984 28.395 -3.226 333 HB2 SER 45 1HB SER 45 4.399 30.522 -1.924 334 HB3 SER 45 2HB SER 45 5.852 30.750 -2.898 335 HG SER 45 HG SER 45 3.714 31.733 -3.587 336 H GLY 46 H GLY 46 4.204 28.427 -5.457 337 HA2 GLY 46 1HA GLY 46 5.247 28.228 -7.507 338 HA3 GLY 46 2HA GLY 46 6.754 28.700 -6.736 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -35.227 -8.999 -7.094 2 HA2 GLY 1 1HA GLY 1 -35.889 -11.842 -6.980 3 HA3 GLY 1 2HA GLY 1 -35.274 -11.234 -8.510 4 H SER 2 H SER 2 -33.737 -13.085 -7.714 5 HA SER 2 HA SER 2 -31.919 -12.937 -5.723 6 HB2 SER 2 1HB SER 2 -31.848 -14.757 -7.302 7 HB3 SER 2 2HB SER 2 -31.404 -13.666 -8.614 8 HG SER 2 HG SER 2 -29.719 -14.983 -7.321 9 H SER 3 H SER 3 -29.909 -11.974 -5.356 10 HA SER 3 HA SER 3 -29.337 -9.597 -7.001 11 HB2 SER 3 1HB SER 3 -28.968 -9.833 -4.006 12 HB3 SER 3 2HB SER 3 -28.665 -8.402 -4.990 13 HG SER 3 HG SER 3 -31.201 -9.547 -5.133 14 H GLY 4 H GLY 4 -27.292 -9.350 -7.696 15 HA2 GLY 4 1HA GLY 4 -25.184 -10.979 -6.444 16 HA3 GLY 4 2HA GLY 4 -25.429 -11.062 -8.182 17 H SER 5 H SER 5 -24.422 -9.011 -5.519 18 HA SER 5 HA SER 5 -23.530 -6.915 -7.321 19 HB2 SER 5 1HB SER 5 -23.545 -7.220 -4.322 20 HB3 SER 5 2HB SER 5 -22.693 -5.895 -5.114 21 HG SER 5 HG SER 5 -25.457 -6.453 -5.071 22 H SER 6 H SER 6 -21.246 -5.987 -6.612 23 HA SER 6 HA SER 6 -19.371 -8.198 -7.026 24 HB2 SER 6 1HB SER 6 -19.048 -5.212 -7.403 25 HB3 SER 6 2HB SER 6 -17.772 -6.397 -7.686 26 HG SER 6 HG SER 6 -18.598 -6.569 -9.602 27 H GLY 7 H GLY 7 -19.234 -8.949 -4.885 28 HA2 GLY 7 1HA GLY 7 -18.143 -7.067 -2.907 29 HA3 GLY 7 2HA GLY 7 -18.866 -8.628 -2.545 30 H GLN 8 H GLN 8 -17.622 -10.474 -2.617 31 HA GLN 8 HA GLN 8 -14.769 -10.037 -2.450 32 HB2 GLN 8 1HB GLN 8 -14.649 -12.335 -1.683 33 HB3 GLN 8 2HB GLN 8 -15.934 -11.491 -0.830 34 HG2 GLN 8 1HG GLN 8 -16.551 -13.095 -3.272 35 HG3 GLN 8 2HG GLN 8 -16.337 -13.887 -1.712 36 HE21 GLN 8 1HE2 GLN 8 -18.562 -12.630 -3.752 37 HE22 GLN 8 2HE2 GLN 8 -19.827 -12.276 -2.630 38 H LYS 9 H LYS 9 -15.590 -9.502 -5.000 39 HA LYS 9 HA LYS 9 -15.382 -11.744 -6.743 40 HB2 LYS 9 1HB LYS 9 -16.432 -9.437 -7.207 41 HB3 LYS 9 2HB LYS 9 -14.789 -8.901 -7.532 42 HG2 LYS 9 1HG LYS 9 -15.708 -9.439 -9.622 43 HG3 LYS 9 2HG LYS 9 -14.650 -10.791 -9.210 44 HD2 LYS 9 1HD LYS 9 -16.513 -11.932 -9.899 45 HD3 LYS 9 2HD LYS 9 -16.870 -11.771 -8.178 46 HE2 LYS 9 1HE LYS 9 -18.182 -9.726 -8.705 47 HE3 LYS 9 2HE LYS 9 -17.911 -10.039 -10.418 48 HZ1 LYS 9 3HZ LYS 9 -19.997 -10.948 -9.939 49 HZ2 LYS 9 1HZ LYS 9 -19.474 -11.650 -8.491 50 HZ3 LYS 9 2HZ LYS 9 -18.959 -12.283 -9.973 51 H GLU 10 H GLU 10 -13.109 -9.201 -5.750 52 HA GLU 10 HA GLU 10 -10.871 -10.938 -5.937 53 HB2 GLU 10 1HB GLU 10 -11.439 -10.322 -8.381 54 HB3 GLU 10 2HB GLU 10 -10.815 -8.729 -7.976 55 HG2 GLU 10 1HG GLU 10 -9.133 -10.132 -9.054 56 HG3 GLU 10 2HG GLU 10 -8.663 -9.673 -7.418 57 H LYS 11 H LYS 11 -8.962 -10.003 -5.123 58 HA LYS 11 HA LYS 11 -9.308 -7.313 -3.970 59 HB2 LYS 11 1HB LYS 11 -9.417 -9.238 -2.327 60 HB3 LYS 11 2HB LYS 11 -7.730 -9.556 -2.710 61 HG2 LYS 11 1HG LYS 11 -7.177 -7.259 -1.969 62 HG3 LYS 11 2HG LYS 11 -8.860 -7.052 -1.479 63 HD2 LYS 11 1HD LYS 11 -7.388 -9.426 -0.459 64 HD3 LYS 11 2HD LYS 11 -6.992 -7.848 0.226 65 HE2 LYS 11 1HE LYS 11 -8.679 -8.450 1.635 66 HE3 LYS 11 2HE LYS 11 -9.628 -7.661 0.376 67 HZ1 LYS 11 3HZ LYS 11 -9.324 -10.535 0.935 68 HZ2 LYS 11 1HZ LYS 11 -9.733 -10.019 -0.623 69 HZ3 LYS 11 2HZ LYS 11 -10.736 -9.640 0.684 70 H CYS 12 H CYS 12 -7.887 -5.885 -4.697 71 HA CYS 12 HA CYS 12 -5.106 -6.522 -4.987 72 HB2 CYS 12 1HB CYS 12 -4.946 -5.938 -7.381 73 HB3 CYS 12 2HB CYS 12 -5.901 -7.392 -7.118 74 HG CYS 12 HG CYS 12 -7.589 -4.472 -7.329 75 H PHE 13 H PHE 13 -3.945 -4.772 -4.504 76 HA PHE 13 HA PHE 13 -5.179 -2.126 -4.879 77 HB2 PHE 13 1HB PHE 13 -3.477 -2.934 -2.514 78 HB3 PHE 13 2HB PHE 13 -4.281 -1.387 -2.755 79 HD1 PHE 13 HD1 PHE 13 -6.669 -1.160 -2.438 80 HD2 PHE 13 HD2 PHE 13 -4.712 -4.891 -1.833 81 HE1 PHE 13 HE1 PHE 13 -8.656 -2.007 -1.259 82 HE2 PHE 13 HE2 PHE 13 -6.696 -5.745 -0.654 83 HZ PHE 13 HZ PHE 13 -8.672 -4.303 -0.367 84 H LYS 14 H LYS 14 -4.031 -1.046 -6.328 85 HA LYS 14 HA LYS 14 -1.135 -1.511 -6.493 86 HB2 LYS 14 1HB LYS 14 -2.788 -1.738 -8.509 87 HB3 LYS 14 2HB LYS 14 -2.694 0.018 -8.546 88 HG2 LYS 14 1HG LYS 14 -0.423 0.005 -9.076 89 HG3 LYS 14 2HG LYS 14 -0.221 -1.673 -8.566 90 HD2 LYS 14 1HD LYS 14 -0.210 -1.790 -10.899 91 HD3 LYS 14 2HD LYS 14 -1.862 -2.235 -10.462 92 HE2 LYS 14 1HE LYS 14 -1.263 0.632 -10.982 93 HE3 LYS 14 2HE LYS 14 -1.348 -0.464 -12.360 94 HZ1 LYS 14 3HZ LYS 14 -3.555 -0.660 -12.166 95 HZ2 LYS 14 1HZ LYS 14 -3.464 0.764 -11.256 96 HZ3 LYS 14 2HZ LYS 14 -3.520 -0.735 -10.476 97 H CYS 15 H CYS 15 0.163 0.450 -7.154 98 HA CYS 15 HA CYS 15 -0.612 2.689 -5.429 99 HB2 CYS 15 1HB CYS 15 1.676 1.387 -5.351 100 HB3 CYS 15 2HB CYS 15 2.093 2.454 -6.688 101 H ASN 16 H ASN 16 0.461 4.850 -6.284 102 HA ASN 16 HA ASN 16 -0.589 5.229 -9.002 103 HB2 ASN 16 1HB ASN 16 -1.765 6.700 -7.639 104 HB3 ASN 16 2HB ASN 16 -0.373 7.018 -6.607 105 HD21 ASN 16 1HD2 ASN 16 -1.782 7.635 -9.760 106 HD22 ASN 16 2HD2 ASN 16 -0.938 9.114 -10.055 107 H LYS 17 H LYS 17 1.953 6.654 -6.940 108 HA LYS 17 HA LYS 17 3.473 7.766 -8.981 109 HB2 LYS 17 1HB LYS 17 4.537 6.627 -6.392 110 HB3 LYS 17 2HB LYS 17 5.300 7.859 -7.388 111 HG2 LYS 17 1HG LYS 17 2.580 8.299 -6.222 112 HG3 LYS 17 2HG LYS 17 4.038 8.582 -5.269 113 HD2 LYS 17 1HD LYS 17 3.597 9.813 -7.980 114 HD3 LYS 17 2HD LYS 17 3.079 10.590 -6.483 115 HE2 LYS 17 1HE LYS 17 5.547 10.166 -5.748 116 HE3 LYS 17 2HE LYS 17 5.841 10.034 -7.481 117 HZ1 LYS 17 3HZ LYS 17 6.158 12.300 -6.538 118 HZ2 LYS 17 1HZ LYS 17 4.497 12.359 -6.223 119 HZ3 LYS 17 2HZ LYS 17 5.051 12.232 -7.816 120 H CYS 18 H CYS 18 4.477 4.860 -7.179 121 HA CYS 18 HA CYS 18 6.222 4.013 -9.267 122 HB2 CYS 18 1HB CYS 18 6.590 2.031 -7.886 123 HB3 CYS 18 2HB CYS 18 6.653 3.489 -6.902 124 H GLU 19 H GLU 19 2.973 3.125 -8.244 125 HA GLU 19 HA GLU 19 1.296 2.063 -9.375 126 HB2 GLU 19 1HB GLU 19 3.164 1.680 -11.706 127 HB3 GLU 19 2HB GLU 19 1.408 1.750 -11.720 128 HG2 GLU 19 1HG GLU 19 1.433 4.096 -11.255 129 HG3 GLU 19 2HG GLU 19 3.178 4.074 -11.006 130 H LYS 20 H LYS 20 2.808 0.651 -7.591 131 HA LYS 20 HA LYS 20 3.367 -1.931 -8.864 132 HB2 LYS 20 1HB LYS 20 4.195 -0.641 -6.300 133 HB3 LYS 20 2HB LYS 20 4.146 -2.397 -6.380 134 HG2 LYS 20 1HG LYS 20 5.591 -2.165 -8.473 135 HG3 LYS 20 2HG LYS 20 5.852 -0.499 -7.951 136 HD2 LYS 20 1HD LYS 20 7.636 -1.526 -6.944 137 HD3 LYS 20 2HD LYS 20 6.433 -1.663 -5.659 138 HE2 LYS 20 1HE LYS 20 5.863 -3.928 -6.807 139 HE3 LYS 20 2HE LYS 20 7.464 -3.760 -7.527 140 HZ1 LYS 20 3HZ LYS 20 8.103 -3.296 -5.034 141 HZ2 LYS 20 1HZ LYS 20 7.997 -4.873 -5.638 142 HZ3 LYS 20 2HZ LYS 20 6.720 -4.224 -4.738 143 H THR 21 H THR 21 2.330 -3.813 -8.262 144 HA THR 21 HA THR 21 -0.294 -3.448 -7.072 145 HB THR 21 HB THR 21 -0.582 -5.891 -7.680 146 HG1 THR 21 HG1 THR 21 1.719 -5.559 -9.287 147 HG21 THR 21 3HG2 THR 21 -1.404 -5.231 -9.665 148 HG22 THR 21 1HG2 THR 21 0.163 -4.652 -10.228 149 HG23 THR 21 2HG2 THR 21 -0.838 -3.628 -9.198 150 H PHE 22 H PHE 22 -0.961 -4.245 -5.145 151 HA PHE 22 HA PHE 22 0.984 -5.795 -3.568 152 HB2 PHE 22 1HB PHE 22 -0.748 -3.493 -2.658 153 HB3 PHE 22 2HB PHE 22 0.091 -4.573 -1.551 154 HD1 PHE 22 HD1 PHE 22 2.552 -4.594 -1.469 155 HD2 PHE 22 HD2 PHE 22 0.405 -1.781 -3.834 156 HE1 PHE 22 HE1 PHE 22 4.571 -3.198 -1.636 157 HE2 PHE 22 HE2 PHE 22 2.421 -0.381 -4.006 158 HZ PHE 22 HZ PHE 22 4.508 -1.089 -2.906 159 H SER 23 H SER 23 -0.018 -7.001 -1.753 160 HA SER 23 HA SER 23 -2.290 -8.466 -2.707 161 HB2 SER 23 1HB SER 23 -0.921 -8.683 -0.016 162 HB3 SER 23 2HB SER 23 -1.955 -9.891 -0.779 163 HG SER 23 HG SER 23 -0.193 -9.559 -2.555 164 H CYS 24 H CYS 24 -1.670 -6.413 0.132 165 HA CYS 24 HA CYS 24 -4.581 -6.027 0.366 166 HB2 CYS 24 1HB CYS 24 -4.166 -5.695 2.831 167 HB3 CYS 24 2HB CYS 24 -3.920 -7.337 2.250 168 HG CYS 24 HG CYS 24 -1.289 -5.196 2.584 169 H SER 25 H SER 25 -4.905 -4.004 1.953 170 HA SER 25 HA SER 25 -3.676 -1.790 0.534 171 HB2 SER 25 1HB SER 25 -6.187 -2.043 1.193 172 HB3 SER 25 2HB SER 25 -5.653 -1.470 2.773 173 HG SER 25 HG SER 25 -4.800 -0.037 0.545 174 H LYS 26 H LYS 26 -3.897 -3.016 3.848 175 HA LYS 26 HA LYS 26 -2.691 -1.074 5.310 176 HB2 LYS 26 1HB LYS 26 -1.831 -2.828 6.786 177 HB3 LYS 26 2HB LYS 26 -3.472 -3.188 6.266 178 HG2 LYS 26 1HG LYS 26 -2.807 -4.943 4.927 179 HG3 LYS 26 2HG LYS 26 -1.157 -4.334 4.770 180 HD2 LYS 26 1HD LYS 26 -2.314 -5.346 7.362 181 HD3 LYS 26 2HD LYS 26 -1.426 -6.368 6.229 182 HE2 LYS 26 1HE LYS 26 0.494 -4.798 6.416 183 HE3 LYS 26 2HE LYS 26 -0.397 -3.919 7.658 184 HZ1 LYS 26 3HZ LYS 26 -0.489 -6.485 8.524 185 HZ2 LYS 26 1HZ LYS 26 0.595 -5.306 9.071 186 HZ3 LYS 26 2HZ LYS 26 1.062 -6.384 7.854 187 H TYR 27 H TYR 27 -1.229 -3.006 2.843 188 HA TYR 27 HA TYR 27 1.468 -2.205 3.606 189 HB2 TYR 27 1HB TYR 27 0.298 -4.187 1.720 190 HB3 TYR 27 2HB TYR 27 1.881 -3.529 1.323 191 HD1 TYR 27 HD1 TYR 27 3.142 -3.264 3.948 192 HD2 TYR 27 HD2 TYR 27 0.667 -6.370 2.423 193 HE1 TYR 27 HE1 TYR 27 4.196 -4.856 5.497 194 HE2 TYR 27 HE2 TYR 27 1.713 -7.971 3.969 195 HH TYR 27 HH TYR 27 3.998 -6.926 6.427 196 H LEU 28 H LEU 28 -0.995 -1.485 1.243 197 HA LEU 28 HA LEU 28 0.714 0.022 -0.495 198 HB2 LEU 28 1HB LEU 28 -1.253 -0.987 -1.409 199 HB3 LEU 28 2HB LEU 28 -2.280 -0.163 -0.237 200 HG LEU 28 HG LEU 28 -1.730 1.990 -1.316 201 HD11 LEU 28 1HD1 LEU 28 0.452 0.847 -2.301 202 HD12 LEU 28 2HD1 LEU 28 -0.326 2.219 -3.088 203 HD13 LEU 28 3HD1 LEU 28 -0.619 0.582 -3.678 204 HD21 LEU 28 3HD2 LEU 28 -3.091 1.654 -3.296 205 HD22 LEU 28 1HD2 LEU 28 -3.740 0.723 -1.945 206 HD23 LEU 28 2HD2 LEU 28 -2.820 -0.088 -3.213 207 H THR 29 H THR 29 -1.724 0.858 1.952 208 HA THR 29 HA THR 29 -1.690 3.605 1.747 209 HB THR 29 HB THR 29 -1.880 2.013 4.312 210 HG1 THR 29 HG1 THR 29 -4.072 3.029 2.853 211 HG21 THR 29 3HG2 THR 29 -1.646 4.731 4.054 212 HG22 THR 29 1HG2 THR 29 -2.422 3.901 5.402 213 HG23 THR 29 2HG2 THR 29 -3.395 4.504 4.060 214 H GLN 30 H GLN 30 0.162 1.814 4.217 215 HA GLN 30 HA GLN 30 1.783 3.943 4.984 216 HB2 GLN 30 1HB GLN 30 1.931 0.985 5.243 217 HB3 GLN 30 2HB GLN 30 3.401 1.897 5.559 218 HG2 GLN 30 1HG GLN 30 2.235 3.208 7.249 219 HG3 GLN 30 2HG GLN 30 0.751 2.314 6.924 220 HE21 GLN 30 1HE2 GLN 30 0.768 0.013 7.351 221 HE22 GLN 30 2HE2 GLN 30 1.766 -0.606 8.618 222 H HIS 31 H HIS 31 2.255 1.509 2.470 223 HA HIS 31 HA HIS 31 4.893 2.027 1.789 224 HB2 HIS 31 1HB HIS 31 4.018 0.180 0.702 225 HB3 HIS 31 2HB HIS 31 2.523 1.008 0.275 226 HD1 HIS 31 HD1 HIS 31 5.729 0.001 -1.092 227 HD2 HIS 31 HD2 HIS 31 2.915 2.949 -1.899 228 HE1 HIS 31 HE1 HIS 31 6.248 0.808 -3.416 229 H GLU 32 H GLU 32 1.990 3.415 0.242 230 HA GLU 32 HA GLU 32 3.023 5.121 -1.551 231 HB2 GLU 32 1HB GLU 32 0.709 5.357 0.304 232 HB3 GLU 32 2HB GLU 32 1.184 6.796 -0.586 233 HG2 GLU 32 1HG GLU 32 0.856 4.258 -2.091 234 HG3 GLU 32 2HG GLU 32 -0.590 5.100 -1.535 235 H ARG 33 H ARG 33 3.287 5.433 1.910 236 HA ARG 33 HA ARG 33 4.002 8.098 2.176 237 HB2 ARG 33 1HB ARG 33 5.186 5.783 3.718 238 HB3 ARG 33 2HB ARG 33 5.107 7.461 4.239 239 HG2 ARG 33 1HG ARG 33 2.594 5.984 3.596 240 HG3 ARG 33 2HG ARG 33 3.395 5.742 5.149 241 HD2 ARG 33 1HD ARG 33 2.984 7.886 5.851 242 HD3 ARG 33 2HD ARG 33 2.927 8.525 4.209 243 HE ARG 33 HE ARG 33 0.761 6.742 4.857 244 HH11 ARG 33 1HH1 ARG 33 1.895 10.033 4.909 245 HH12 ARG 33 2HH1 ARG 33 0.305 10.718 4.950 246 HH21 ARG 33 1HH2 ARG 33 -1.339 7.632 4.911 247 HH22 ARG 33 2HH2 ARG 33 -1.534 9.352 4.952 248 H ILE 34 H ILE 34 6.095 5.301 1.515 249 HA ILE 34 HA ILE 34 8.580 6.329 1.558 250 HB ILE 34 HB ILE 34 9.268 4.777 -0.092 251 HG12 ILE 34 1HG1 ILE 34 6.402 4.602 -1.042 252 HG13 ILE 34 2HG1 ILE 34 7.653 5.551 -1.838 253 HG21 ILE 34 1HG2 ILE 34 6.937 3.194 0.690 254 HG22 ILE 34 2HG2 ILE 34 8.649 2.935 1.020 255 HG23 ILE 34 3HG2 ILE 34 7.715 4.039 2.028 256 HD11 ILE 34 3HD1 ILE 34 8.655 2.931 -1.513 257 HD12 ILE 34 1HD1 ILE 34 7.020 2.805 -2.160 258 HD13 ILE 34 2HD1 ILE 34 8.231 3.770 -3.005 259 H HIS 35 H HIS 35 6.065 7.219 -0.664 260 HA HIS 35 HA HIS 35 7.880 8.690 -2.393 261 HB2 HIS 35 1HB HIS 35 4.862 8.674 -2.487 262 HB3 HIS 35 2HB HIS 35 5.974 9.128 -3.774 263 HD1 HIS 35 HD1 HIS 35 7.761 6.862 -4.177 264 HD2 HIS 35 HD2 HIS 35 3.794 6.279 -3.090 265 HE1 HIS 35 HE1 HIS 35 7.209 4.511 -4.882 266 H THR 36 H THR 36 8.659 10.136 -0.733 267 HA THR 36 HA THR 36 7.061 12.545 -0.592 268 HB THR 36 HB THR 36 7.564 12.704 1.940 269 HG1 THR 36 HG1 THR 36 7.611 9.873 1.584 270 HG21 THR 36 3HG2 THR 36 5.444 11.620 2.494 271 HG22 THR 36 1HG2 THR 36 5.460 10.777 0.945 272 HG23 THR 36 2HG2 THR 36 5.307 12.534 0.992 273 H ARG 37 H ARG 37 8.307 14.328 -0.644 274 HA ARG 37 HA ARG 37 11.196 13.983 -0.167 275 HB2 ARG 37 1HB ARG 37 10.390 14.340 -2.587 276 HB3 ARG 37 2HB ARG 37 10.040 15.990 -2.089 277 HG2 ARG 37 1HG ARG 37 12.303 16.465 -1.687 278 HG3 ARG 37 2HG ARG 37 12.749 14.757 -1.716 279 HD2 ARG 37 1HD ARG 37 12.613 14.626 -4.020 280 HD3 ARG 37 2HD ARG 37 11.532 16.015 -4.136 281 HE ARG 37 HE ARG 37 14.178 16.641 -3.177 282 HH11 ARG 37 1HH1 ARG 37 12.130 16.275 -5.969 283 HH12 ARG 37 2HH1 ARG 37 13.103 17.293 -6.978 284 HH21 ARG 37 1HH2 ARG 37 15.467 17.984 -4.495 285 HH22 ARG 37 2HH2 ARG 37 15.001 18.264 -6.139 286 H GLY 38 H GLY 38 11.221 14.752 1.926 287 HA2 GLY 38 1HA GLY 38 11.288 16.320 3.600 288 HA3 GLY 38 2HA GLY 38 11.464 17.507 2.316 289 H VAL 39 H VAL 39 9.092 15.666 4.180 290 HA VAL 39 HA VAL 39 7.367 17.954 4.347 291 HB VAL 39 HB VAL 39 6.737 17.070 2.125 292 HG11 VAL 39 1HG1 VAL 39 7.086 14.794 2.121 293 HG12 VAL 39 2HG1 VAL 39 6.348 14.569 3.707 294 HG13 VAL 39 3HG1 VAL 39 5.334 14.873 2.296 295 HG21 VAL 39 3HG2 VAL 39 4.259 16.723 2.710 296 HG22 VAL 39 1HG2 VAL 39 4.763 16.975 4.381 297 HG23 VAL 39 2HG2 VAL 39 5.016 18.244 3.183 298 H LYS 40 H LYS 40 5.795 17.754 5.952 299 HA LYS 40 HA LYS 40 5.165 17.085 8.053 300 HB2 LYS 40 1HB LYS 40 4.594 14.830 6.190 301 HB3 LYS 40 2HB LYS 40 4.373 14.548 7.912 302 HG2 LYS 40 1HG LYS 40 3.088 16.805 6.393 303 HG3 LYS 40 2HG LYS 40 2.314 15.252 6.719 304 HD2 LYS 40 1HD LYS 40 2.981 15.813 9.201 305 HD3 LYS 40 2HD LYS 40 3.001 17.469 8.591 306 HE2 LYS 40 1HE LYS 40 0.737 17.455 8.109 307 HE3 LYS 40 2HE LYS 40 0.665 15.696 8.015 308 HZ1 LYS 40 3HZ LYS 40 -0.385 16.694 10.029 309 HZ2 LYS 40 1HZ LYS 40 1.157 17.168 10.541 310 HZ3 LYS 40 2HZ LYS 40 0.794 15.526 10.359 311 H SER 41 H SER 41 7.930 17.037 7.829 312 HA SER 41 HA SER 41 9.197 14.649 8.505 313 HB2 SER 41 1HB SER 41 11.049 15.985 9.229 314 HB3 SER 41 2HB SER 41 10.306 16.831 7.872 315 HG SER 41 HG SER 41 9.055 17.831 9.826 316 H GLY 42 H GLY 42 10.274 14.236 10.676 317 HA2 GLY 42 1HA GLY 42 8.323 13.693 12.605 318 HA3 GLY 42 2HA GLY 42 10.058 13.657 12.885 319 HA PRO 43 HA PRO 43 7.798 17.450 14.822 320 HB2 PRO 43 1HB PRO 43 6.998 16.442 17.212 321 HB3 PRO 43 2HB PRO 43 5.962 16.457 15.781 322 HG2 PRO 43 1HG PRO 43 7.599 14.220 16.911 323 HG3 PRO 43 2HG PRO 43 5.946 14.183 16.269 324 HD2 PRO 43 1HD PRO 43 8.087 13.362 14.828 325 HD3 PRO 43 2HD PRO 43 6.664 14.114 14.079 326 H SER 44 H SER 44 8.823 18.759 16.323 327 HA SER 44 HA SER 44 11.083 17.562 17.783 328 HB2 SER 44 1HB SER 44 12.443 19.523 17.266 329 HB3 SER 44 2HB SER 44 11.885 18.768 15.773 330 HG SER 44 HG SER 44 11.420 21.264 16.715 331 H SER 45 H SER 45 10.986 17.913 19.893 332 HA SER 45 HA SER 45 9.127 19.896 20.933 333 HB2 SER 45 1HB SER 45 9.497 17.411 21.752 334 HB3 SER 45 2HB SER 45 10.783 18.147 22.708 335 HG SER 45 HG SER 45 9.295 18.802 24.020 336 H GLY 46 H GLY 46 9.677 21.665 22.136 337 HA2 GLY 46 1HA GLY 46 12.552 22.146 22.582 338 HA3 GLY 46 2HA GLY 46 11.553 23.369 21.811 Start of MODEL 5 1 H1 GLY 1 H GLY 1 4.857 -19.459 -4.658 2 HA2 GLY 1 1HA GLY 1 5.789 -18.443 -6.493 3 HA3 GLY 1 2HA GLY 1 6.003 -20.070 -7.122 4 H SER 2 H SER 2 3.497 -20.940 -7.589 5 HA SER 2 HA SER 2 2.797 -19.492 -9.951 6 HB2 SER 2 1HB SER 2 1.454 -21.837 -8.587 7 HB3 SER 2 2HB SER 2 1.006 -21.211 -10.174 8 HG SER 2 HG SER 2 3.112 -21.718 -10.888 9 H SER 3 H SER 3 1.064 -20.190 -6.917 10 HA SER 3 HA SER 3 -0.842 -19.272 -6.034 11 HB2 SER 3 1HB SER 3 0.987 -17.618 -5.516 12 HB3 SER 3 2HB SER 3 0.459 -16.688 -6.918 13 HG SER 3 HG SER 3 -1.721 -16.997 -5.683 14 H GLY 4 H GLY 4 -1.298 -20.135 -8.641 15 HA2 GLY 4 1HA GLY 4 -3.147 -18.051 -9.629 16 HA3 GLY 4 2HA GLY 4 -2.258 -19.116 -10.707 17 H SER 5 H SER 5 -4.692 -19.092 -8.134 18 HA SER 5 HA SER 5 -5.735 -21.637 -9.176 19 HB2 SER 5 1HB SER 5 -6.801 -21.960 -7.037 20 HB3 SER 5 2HB SER 5 -5.117 -21.525 -6.746 21 HG SER 5 HG SER 5 -7.289 -19.698 -6.687 22 H SER 6 H SER 6 -6.241 -19.277 -10.609 23 HA SER 6 HA SER 6 -7.944 -18.164 -11.628 24 HB2 SER 6 1HB SER 6 -9.508 -20.366 -10.280 25 HB3 SER 6 2HB SER 6 -10.277 -19.158 -11.310 26 HG SER 6 HG SER 6 -8.328 -21.084 -12.011 27 H GLY 7 H GLY 7 -6.971 -17.092 -9.237 28 HA2 GLY 7 1HA GLY 7 -8.813 -16.420 -7.282 29 HA3 GLY 7 2HA GLY 7 -7.472 -15.396 -7.772 30 H GLN 8 H GLN 8 -10.851 -15.827 -7.790 31 HA GLN 8 HA GLN 8 -11.296 -13.805 -9.841 32 HB2 GLN 8 1HB GLN 8 -13.100 -15.628 -8.275 33 HB3 GLN 8 2HB GLN 8 -13.753 -14.266 -9.175 34 HG2 GLN 8 1HG GLN 8 -11.998 -16.331 -10.458 35 HG3 GLN 8 2HG GLN 8 -13.744 -16.529 -10.323 36 HE21 GLN 8 1HE2 GLN 8 -15.104 -15.029 -11.402 37 HE22 GLN 8 2HE2 GLN 8 -14.534 -14.152 -12.776 38 H LYS 9 H LYS 9 -12.041 -14.308 -6.398 39 HA LYS 9 HA LYS 9 -12.537 -11.423 -6.142 40 HB2 LYS 9 1HB LYS 9 -13.462 -12.156 -3.855 41 HB3 LYS 9 2HB LYS 9 -14.400 -12.552 -5.288 42 HG2 LYS 9 1HG LYS 9 -13.999 -14.789 -5.108 43 HG3 LYS 9 2HG LYS 9 -12.447 -14.558 -4.298 44 HD2 LYS 9 1HD LYS 9 -15.075 -13.891 -2.992 45 HD3 LYS 9 2HD LYS 9 -14.339 -15.491 -2.885 46 HE2 LYS 9 1HE LYS 9 -12.293 -14.409 -1.960 47 HE3 LYS 9 2HE LYS 9 -13.170 -12.880 -1.934 48 HZ1 LYS 9 3HZ LYS 9 -13.196 -14.017 0.220 49 HZ2 LYS 9 1HZ LYS 9 -13.994 -15.334 -0.479 50 HZ3 LYS 9 2HZ LYS 9 -14.755 -13.826 -0.407 51 H GLU 10 H GLU 10 -10.214 -11.031 -6.217 52 HA GLU 10 HA GLU 10 -8.977 -11.463 -3.581 53 HB2 GLU 10 1HB GLU 10 -8.056 -12.818 -5.633 54 HB3 GLU 10 2HB GLU 10 -7.288 -11.291 -6.047 55 HG2 GLU 10 1HG GLU 10 -6.965 -12.690 -3.404 56 HG3 GLU 10 2HG GLU 10 -5.846 -12.838 -4.757 57 H LYS 11 H LYS 11 -9.658 -9.393 -2.936 58 HA LYS 11 HA LYS 11 -9.615 -6.995 -4.096 59 HB2 LYS 11 1HB LYS 11 -8.886 -5.999 -1.936 60 HB3 LYS 11 2HB LYS 11 -10.142 -7.217 -1.753 61 HG2 LYS 11 1HG LYS 11 -8.741 -8.711 -0.729 62 HG3 LYS 11 2HG LYS 11 -7.294 -8.044 -1.490 63 HD2 LYS 11 1HD LYS 11 -7.005 -7.236 0.624 64 HD3 LYS 11 2HD LYS 11 -7.970 -5.921 -0.051 65 HE2 LYS 11 1HE LYS 11 -9.977 -7.373 0.803 66 HE3 LYS 11 2HE LYS 11 -8.755 -8.073 1.864 67 HZ1 LYS 11 3HZ LYS 11 -9.039 -6.342 3.193 68 HZ2 LYS 11 1HZ LYS 11 -10.097 -5.600 2.100 69 HZ3 LYS 11 2HZ LYS 11 -8.432 -5.325 1.985 70 H CYS 12 H CYS 12 -8.223 -5.543 -4.940 71 HA CYS 12 HA CYS 12 -5.342 -6.062 -4.665 72 HB2 CYS 12 1HB CYS 12 -5.035 -5.499 -7.049 73 HB3 CYS 12 2HB CYS 12 -6.029 -6.934 -6.834 74 HG CYS 12 HG CYS 12 -8.320 -4.866 -6.954 75 H PHE 13 H PHE 13 -3.981 -4.212 -5.005 76 HA PHE 13 HA PHE 13 -5.280 -1.606 -5.079 77 HB2 PHE 13 1HB PHE 13 -3.399 -2.329 -2.828 78 HB3 PHE 13 2HB PHE 13 -4.272 -0.815 -3.040 79 HD1 PHE 13 HD1 PHE 13 -6.796 -0.857 -2.896 80 HD2 PHE 13 HD2 PHE 13 -4.349 -4.113 -1.661 81 HE1 PHE 13 HE1 PHE 13 -8.657 -1.740 -1.551 82 HE2 PHE 13 HE2 PHE 13 -6.207 -5.002 -0.315 83 HZ PHE 13 HZ PHE 13 -8.365 -3.816 -0.259 84 H LYS 14 H LYS 14 -4.233 -0.549 -6.618 85 HA LYS 14 HA LYS 14 -1.376 -1.072 -7.032 86 HB2 LYS 14 1HB LYS 14 -3.137 -1.230 -8.911 87 HB3 LYS 14 2HB LYS 14 -3.142 0.528 -8.868 88 HG2 LYS 14 1HG LYS 14 -0.854 0.633 -9.498 89 HG3 LYS 14 2HG LYS 14 -0.652 -1.107 -9.277 90 HD2 LYS 14 1HD LYS 14 -1.803 -1.618 -11.215 91 HD3 LYS 14 2HD LYS 14 -2.681 -0.087 -11.221 92 HE2 LYS 14 1HE LYS 14 -0.516 1.058 -11.715 93 HE3 LYS 14 2HE LYS 14 0.225 -0.532 -11.889 94 HZ1 LYS 14 3HZ LYS 14 -1.902 0.670 -13.565 95 HZ2 LYS 14 1HZ LYS 14 -1.517 -0.977 -13.621 96 HZ3 LYS 14 2HZ LYS 14 -0.355 0.177 -14.042 97 H CYS 15 H CYS 15 0.114 0.641 -7.261 98 HA CYS 15 HA CYS 15 -0.564 2.968 -5.650 99 HB2 CYS 15 1HB CYS 15 1.613 1.478 -5.540 100 HB3 CYS 15 2HB CYS 15 2.150 2.547 -6.831 101 H ASN 16 H ASN 16 0.744 5.034 -6.456 102 HA ASN 16 HA ASN 16 -0.167 5.512 -9.213 103 HB2 ASN 16 1HB ASN 16 -1.017 6.851 -7.089 104 HB3 ASN 16 2HB ASN 16 0.468 7.760 -7.352 105 HD21 ASN 16 1HD2 ASN 16 0.618 9.137 -9.056 106 HD22 ASN 16 2HD2 ASN 16 -0.700 9.499 -10.113 107 H LYS 17 H LYS 17 2.296 6.829 -6.991 108 HA LYS 17 HA LYS 17 3.998 7.890 -8.888 109 HB2 LYS 17 1HB LYS 17 4.044 7.874 -6.237 110 HB3 LYS 17 2HB LYS 17 5.196 6.570 -6.494 111 HG2 LYS 17 1HG LYS 17 5.588 9.094 -8.007 112 HG3 LYS 17 2HG LYS 17 5.961 9.084 -6.282 113 HD2 LYS 17 1HD LYS 17 7.651 7.515 -6.526 114 HD3 LYS 17 2HD LYS 17 7.008 6.913 -8.056 115 HE2 LYS 17 1HE LYS 17 9.005 8.166 -8.503 116 HE3 LYS 17 2HE LYS 17 7.622 9.082 -9.100 117 HZ1 LYS 17 3HZ LYS 17 9.145 9.573 -6.602 118 HZ2 LYS 17 1HZ LYS 17 7.703 10.365 -6.996 119 HZ3 LYS 17 2HZ LYS 17 9.072 10.569 -7.967 120 H CYS 18 H CYS 18 4.607 4.799 -7.211 121 HA CYS 18 HA CYS 18 6.445 3.957 -9.250 122 HB2 CYS 18 1HB CYS 18 6.649 1.907 -7.927 123 HB3 CYS 18 2HB CYS 18 6.777 3.330 -6.897 124 H GLU 19 H GLU 19 3.122 3.211 -8.354 125 HA GLU 19 HA GLU 19 1.427 2.297 -9.586 126 HB2 GLU 19 1HB GLU 19 3.352 1.827 -11.851 127 HB3 GLU 19 2HB GLU 19 1.608 2.041 -11.927 128 HG2 GLU 19 1HG GLU 19 1.802 4.366 -11.413 129 HG3 GLU 19 2HG GLU 19 3.526 4.200 -11.089 130 H LYS 20 H LYS 20 2.810 0.759 -7.780 131 HA LYS 20 HA LYS 20 3.145 -1.845 -9.101 132 HB2 LYS 20 1HB LYS 20 4.209 -0.656 -6.573 133 HB3 LYS 20 2HB LYS 20 4.022 -2.402 -6.675 134 HG2 LYS 20 1HG LYS 20 5.390 -2.304 -8.791 135 HG3 LYS 20 2HG LYS 20 5.743 -0.625 -8.379 136 HD2 LYS 20 1HD LYS 20 7.540 -1.656 -7.408 137 HD3 LYS 20 2HD LYS 20 6.403 -1.697 -6.059 138 HE2 LYS 20 1HE LYS 20 7.384 -3.861 -6.235 139 HE3 LYS 20 2HE LYS 20 5.724 -3.984 -6.816 140 HZ1 LYS 20 3HZ LYS 20 6.850 -3.553 -9.106 141 HZ2 LYS 20 1HZ LYS 20 6.860 -5.106 -8.435 142 HZ3 LYS 20 2HZ LYS 20 8.236 -4.130 -8.328 143 H THR 21 H THR 21 1.904 -3.584 -8.565 144 HA THR 21 HA THR 21 -0.572 -3.020 -7.169 145 HB THR 21 HB THR 21 -1.165 -5.375 -7.835 146 HG1 THR 21 HG1 THR 21 0.334 -6.600 -8.690 147 HG21 THR 21 3HG2 THR 21 -0.299 -3.456 -9.999 148 HG22 THR 21 1HG2 THR 21 -1.877 -3.526 -9.215 149 HG23 THR 21 2HG2 THR 21 -1.350 -4.848 -10.257 150 H PHE 22 H PHE 22 -1.267 -3.947 -5.280 151 HA PHE 22 HA PHE 22 0.706 -5.571 -3.813 152 HB2 PHE 22 1HB PHE 22 -1.131 -3.430 -2.719 153 HB3 PHE 22 2HB PHE 22 -0.125 -4.487 -1.734 154 HD1 PHE 22 HD2 PHE 22 0.055 -1.957 -4.447 155 HD2 PHE 22 HD1 PHE 22 2.054 -3.883 -1.220 156 HE1 PHE 22 HE2 PHE 22 1.922 -0.369 -4.660 157 HE2 PHE 22 HE1 PHE 22 3.924 -2.297 -1.427 158 HZ PHE 22 HZ PHE 22 3.860 -0.538 -3.150 159 H SER 23 H SER 23 -0.538 -6.507 -1.743 160 HA SER 23 HA SER 23 -2.773 -8.034 -2.863 161 HB2 SER 23 1HB SER 23 -1.070 -8.570 -0.417 162 HB3 SER 23 2HB SER 23 -2.340 -9.630 -1.030 163 HG SER 23 HG SER 23 -1.056 -10.287 -2.579 164 H CYS 24 H CYS 24 -1.856 -6.505 0.225 165 HA CYS 24 HA CYS 24 -4.712 -6.242 0.864 166 HB2 CYS 24 1HB CYS 24 -3.224 -7.419 2.501 167 HB3 CYS 24 2HB CYS 24 -2.348 -5.909 2.719 168 HG CYS 24 HG CYS 24 -3.791 -5.334 4.765 169 H SER 25 H SER 25 -5.472 -4.249 1.804 170 HA SER 25 HA SER 25 -4.618 -1.971 0.360 171 HB2 SER 25 1HB SER 25 -6.325 -0.768 1.563 172 HB3 SER 25 2HB SER 25 -6.953 -2.375 1.197 173 HG SER 25 HG SER 25 -6.922 -2.877 3.265 174 H LYS 26 H LYS 26 -4.327 -2.856 3.791 175 HA LYS 26 HA LYS 26 -3.074 -0.602 4.759 176 HB2 LYS 26 1HB LYS 26 -3.807 -2.437 6.195 177 HB3 LYS 26 2HB LYS 26 -2.560 -3.481 5.525 178 HG2 LYS 26 1HG LYS 26 -1.711 -0.924 6.769 179 HG3 LYS 26 2HG LYS 26 -2.248 -2.231 7.827 180 HD2 LYS 26 1HD LYS 26 -0.201 -2.668 5.671 181 HD3 LYS 26 2HD LYS 26 0.246 -2.105 7.283 182 HE2 LYS 26 1HE LYS 26 -1.440 -4.555 6.907 183 HE3 LYS 26 2HE LYS 26 0.317 -4.635 6.789 184 HZ1 LYS 26 3HZ LYS 26 -0.020 -3.277 9.076 185 HZ2 LYS 26 1HZ LYS 26 0.199 -4.952 8.987 186 HZ3 LYS 26 2HZ LYS 26 -1.360 -4.309 9.118 187 H TYR 27 H TYR 27 -1.481 -3.518 3.465 188 HA TYR 27 HA TYR 27 1.142 -2.819 3.684 189 HB2 TYR 27 1HB TYR 27 -0.359 -4.372 1.614 190 HB3 TYR 27 2HB TYR 27 1.349 -4.032 1.356 191 HD1 TYR 27 HD2 TYR 27 -0.570 -4.931 4.433 192 HD2 TYR 27 HD1 TYR 27 2.537 -5.982 1.722 193 HE1 TYR 27 HE2 TYR 27 0.022 -6.844 5.862 194 HE2 TYR 27 HE1 TYR 27 3.137 -7.898 3.143 195 HH TYR 27 HH TYR 27 1.147 -9.002 5.674 196 H LEU 28 H LEU 28 -1.087 -1.825 1.111 197 HA LEU 28 HA LEU 28 0.855 -0.314 -0.323 198 HB2 LEU 28 1HB LEU 28 -1.100 -1.169 -1.442 199 HB3 LEU 28 2HB LEU 28 -2.157 -0.257 -0.366 200 HG LEU 28 HG LEU 28 -1.287 1.839 -1.347 201 HD11 LEU 28 1HD1 LEU 28 -0.165 0.565 -3.711 202 HD12 LEU 28 2HD1 LEU 28 0.781 0.271 -2.252 203 HD13 LEU 28 3HD1 LEU 28 0.435 1.924 -2.761 204 HD21 LEU 28 3HD2 LEU 28 -3.346 0.815 -2.188 205 HD22 LEU 28 1HD2 LEU 28 -2.405 -0.114 -3.356 206 HD23 LEU 28 2HD2 LEU 28 -2.463 1.645 -3.471 207 H THR 29 H THR 29 -1.984 0.765 1.553 208 HA THR 29 HA THR 29 -1.748 3.415 1.614 209 HB THR 29 HB THR 29 -2.062 1.836 4.173 210 HG1 THR 29 HG1 THR 29 -3.739 2.211 1.967 211 HG21 THR 29 3HG2 THR 29 -2.671 4.641 3.345 212 HG22 THR 29 1HG2 THR 29 -1.975 4.042 4.849 213 HG23 THR 29 2HG2 THR 29 -3.700 3.848 4.537 214 H GLN 30 H GLN 30 0.070 1.393 3.929 215 HA GLN 30 HA GLN 30 1.652 3.486 4.934 216 HB2 GLN 30 1HB GLN 30 1.872 0.501 4.951 217 HB3 GLN 30 2HB GLN 30 3.223 1.471 5.521 218 HG2 GLN 30 1HG GLN 30 1.484 2.632 7.016 219 HG3 GLN 30 2HG GLN 30 0.465 1.239 6.653 220 HE21 GLN 30 1HE2 GLN 30 1.282 1.861 9.224 221 HE22 GLN 30 2HE2 GLN 30 2.356 0.631 9.787 222 H HIS 31 H HIS 31 2.185 1.196 2.297 223 HA HIS 31 HA HIS 31 4.849 1.778 1.734 224 HB2 HIS 31 1HB HIS 31 4.103 -0.046 0.545 225 HB3 HIS 31 2HB HIS 31 2.558 0.703 0.156 226 HD1 HIS 31 HD1 HIS 31 5.835 -0.020 -1.245 227 HD2 HIS 31 HD2 HIS 31 2.788 2.712 -1.963 228 HE1 HIS 31 HE1 HIS 31 6.280 0.895 -3.544 229 H GLU 32 H GLU 32 1.923 3.204 0.278 230 HA GLU 32 HA GLU 32 2.909 4.952 -1.507 231 HB2 GLU 32 1HB GLU 32 0.679 5.211 0.466 232 HB3 GLU 32 2HB GLU 32 1.110 6.606 -0.512 233 HG2 GLU 32 1HG GLU 32 0.633 3.974 -1.829 234 HG3 GLU 32 2HG GLU 32 -0.734 4.959 -1.312 235 H ARG 33 H ARG 33 3.361 5.113 1.931 236 HA ARG 33 HA ARG 33 4.086 7.787 2.246 237 HB2 ARG 33 1HB ARG 33 5.156 5.359 3.697 238 HB3 ARG 33 2HB ARG 33 5.341 7.023 4.234 239 HG2 ARG 33 1HG ARG 33 2.673 5.699 3.825 240 HG3 ARG 33 2HG ARG 33 3.528 5.731 5.368 241 HD2 ARG 33 1HD ARG 33 2.948 8.252 3.850 242 HD3 ARG 33 2HD ARG 33 1.746 7.530 4.919 243 HE ARG 33 HE ARG 33 3.893 7.677 6.516 244 HH11 ARG 33 1HH1 ARG 33 2.398 10.013 4.411 245 HH12 ARG 33 2HH1 ARG 33 2.864 11.374 5.377 246 HH21 ARG 33 1HH2 ARG 33 4.512 9.461 7.796 247 HH22 ARG 33 2HH2 ARG 33 4.066 11.059 7.301 248 H ILE 34 H ILE 34 6.111 4.971 1.465 249 HA ILE 34 HA ILE 34 8.615 5.937 1.470 250 HB ILE 34 HB ILE 34 9.221 4.438 -0.260 251 HG12 ILE 34 1HG1 ILE 34 6.327 4.349 -1.133 252 HG13 ILE 34 2HG1 ILE 34 7.563 5.323 -1.920 253 HG21 ILE 34 1HG2 ILE 34 8.649 2.635 0.910 254 HG22 ILE 34 2HG2 ILE 34 7.573 3.672 1.844 255 HG23 ILE 34 3HG2 ILE 34 6.955 2.793 0.446 256 HD11 ILE 34 3HD1 ILE 34 8.659 3.470 -2.770 257 HD12 ILE 34 1HD1 ILE 34 7.921 2.375 -1.601 258 HD13 ILE 34 2HD1 ILE 34 6.955 3.039 -2.920 259 H HIS 35 H HIS 35 6.087 6.897 -0.737 260 HA HIS 35 HA HIS 35 7.908 8.450 -2.384 261 HB2 HIS 35 1HB HIS 35 4.890 8.369 -2.516 262 HB3 HIS 35 2HB HIS 35 5.998 8.933 -3.764 263 HD1 HIS 35 HD1 HIS 35 7.837 6.787 -4.351 264 HD2 HIS 35 HD2 HIS 35 3.938 5.945 -3.187 265 HE1 HIS 35 HE1 HIS 35 7.379 4.455 -5.172 266 H THR 36 H THR 36 7.713 9.151 0.401 267 HA THR 36 HA THR 36 7.491 11.950 0.178 268 HB THR 36 HB THR 36 5.052 11.384 0.160 269 HG1 THR 36 HG1 THR 36 5.838 13.404 0.984 270 HG21 THR 36 3HG2 THR 36 5.858 9.902 2.538 271 HG22 THR 36 1HG2 THR 36 4.411 9.741 1.544 272 HG23 THR 36 2HG2 THR 36 4.474 10.957 2.821 273 H ARG 37 H ARG 37 7.794 13.052 2.280 274 HA ARG 37 HA ARG 37 9.883 12.079 3.740 275 HB2 ARG 37 1HB ARG 37 7.679 13.933 4.652 276 HB3 ARG 37 2HB ARG 37 9.168 13.664 5.548 277 HG2 ARG 37 1HG ARG 37 9.183 14.614 2.704 278 HG3 ARG 37 2HG ARG 37 9.041 15.727 4.066 279 HD2 ARG 37 1HD ARG 37 11.156 15.056 4.933 280 HD3 ARG 37 2HD ARG 37 11.261 13.712 3.797 281 HE ARG 37 HE ARG 37 11.114 15.866 2.176 282 HH11 ARG 37 1HH1 ARG 37 13.133 15.068 4.897 283 HH12 ARG 37 2HH1 ARG 37 14.490 15.979 4.324 284 HH21 ARG 37 1HH2 ARG 37 12.894 17.069 1.410 285 HH22 ARG 37 2HH2 ARG 37 14.353 17.118 2.341 286 H GLY 38 H GLY 38 9.852 10.019 4.493 287 HA2 GLY 38 1HA GLY 38 8.080 9.494 6.758 288 HA3 GLY 38 2HA GLY 38 8.001 8.372 5.407 289 H VAL 39 H VAL 39 9.540 6.821 5.185 290 HA VAL 39 HA VAL 39 11.925 6.942 6.872 291 HB VAL 39 HB VAL 39 10.174 5.726 8.164 292 HG11 VAL 39 1HG1 VAL 39 10.435 3.432 6.276 293 HG12 VAL 39 2HG1 VAL 39 9.154 3.799 7.434 294 HG13 VAL 39 3HG1 VAL 39 9.269 4.708 5.926 295 HG21 VAL 39 3HG2 VAL 39 12.685 4.350 7.277 296 HG22 VAL 39 1HG2 VAL 39 12.351 5.189 8.792 297 HG23 VAL 39 2HG2 VAL 39 11.620 3.616 8.475 298 H LYS 40 H LYS 40 13.648 5.667 6.153 299 HA LYS 40 HA LYS 40 15.000 4.729 4.581 300 HB2 LYS 40 1HB LYS 40 12.421 3.251 4.222 301 HB3 LYS 40 2HB LYS 40 13.744 2.961 3.100 302 HG2 LYS 40 1HG LYS 40 15.168 2.209 4.859 303 HG3 LYS 40 2HG LYS 40 14.004 2.710 6.087 304 HD2 LYS 40 1HD LYS 40 13.574 0.454 5.972 305 HD3 LYS 40 2HD LYS 40 12.408 1.075 4.802 306 HE2 LYS 40 1HE LYS 40 13.849 0.504 2.973 307 HE3 LYS 40 2HE LYS 40 15.157 0.076 4.074 308 HZ1 LYS 40 3HZ LYS 40 14.234 -1.913 4.542 309 HZ2 LYS 40 1HZ LYS 40 13.510 -1.708 3.026 310 HZ3 LYS 40 2HZ LYS 40 12.643 -1.346 4.433 311 H SER 41 H SER 41 14.180 7.224 3.888 312 HA SER 41 HA SER 41 13.099 7.249 1.216 313 HB2 SER 41 1HB SER 41 13.428 9.674 1.329 314 HB3 SER 41 2HB SER 41 12.640 9.091 2.795 315 HG SER 41 HG SER 41 14.950 8.989 3.595 316 H GLY 42 H GLY 42 14.423 6.270 -0.234 317 HA2 GLY 42 1HA GLY 42 17.276 6.869 -0.232 318 HA3 GLY 42 2HA GLY 42 16.459 5.692 -1.250 319 HA PRO 43 HA PRO 43 17.128 9.999 -3.313 320 HB2 PRO 43 1HB PRO 43 19.626 9.723 -4.341 321 HB3 PRO 43 2HB PRO 43 19.313 10.443 -2.757 322 HG2 PRO 43 1HG PRO 43 20.189 7.662 -3.433 323 HG3 PRO 43 2HG PRO 43 20.767 8.735 -2.145 324 HD2 PRO 43 1HD PRO 43 19.000 6.733 -1.690 325 HD3 PRO 43 2HD PRO 43 18.983 8.250 -0.768 326 H SER 44 H SER 44 17.211 6.718 -3.989 327 HA SER 44 HA SER 44 17.558 6.918 -6.846 328 HB2 SER 44 1HB SER 44 16.771 4.646 -5.018 329 HB3 SER 44 2HB SER 44 16.845 4.478 -6.772 330 HG SER 44 HG SER 44 18.957 4.487 -6.690 331 H SER 45 H SER 45 15.649 8.677 -6.331 332 HA SER 45 HA SER 45 13.411 7.682 -7.796 333 HB2 SER 45 1HB SER 45 12.683 6.811 -5.676 334 HB3 SER 45 2HB SER 45 13.037 8.338 -4.867 335 HG SER 45 HG SER 45 10.777 7.964 -5.418 336 H GLY 46 H GLY 46 12.222 9.319 -8.722 337 HA2 GLY 46 1HA GLY 46 13.425 11.934 -8.653 338 HA3 GLY 46 2HA GLY 46 12.069 11.433 -9.654 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -22.860 9.118 -18.375 2 HA2 GLY 1 1HA GLY 1 -22.100 6.445 -18.299 3 HA3 GLY 1 2HA GLY 1 -23.632 7.030 -18.932 4 H SER 2 H SER 2 -21.692 4.876 -19.792 5 HA SER 2 HA SER 2 -22.050 5.173 -22.579 6 HB2 SER 2 1HB SER 2 -19.800 5.489 -23.345 7 HB3 SER 2 2HB SER 2 -20.137 6.775 -22.187 8 HG SER 2 HG SER 2 -19.180 4.950 -20.697 9 H SER 3 H SER 3 -21.868 3.237 -23.598 10 HA SER 3 HA SER 3 -22.036 0.866 -22.360 11 HB2 SER 3 1HB SER 3 -20.673 1.455 -24.992 12 HB3 SER 3 2HB SER 3 -21.023 -0.181 -24.436 13 HG SER 3 HG SER 3 -22.680 0.652 -25.783 14 H GLY 4 H GLY 4 -20.810 0.292 -20.655 15 HA2 GLY 4 1HA GLY 4 -17.884 0.202 -21.068 16 HA3 GLY 4 2HA GLY 4 -18.633 0.513 -19.509 17 H SER 5 H SER 5 -16.722 -1.558 -20.214 18 HA SER 5 HA SER 5 -18.370 -3.966 -19.821 19 HB2 SER 5 1HB SER 5 -16.524 -5.258 -20.715 20 HB3 SER 5 2HB SER 5 -16.899 -3.950 -21.838 21 HG SER 5 HG SER 5 -14.577 -4.487 -20.759 22 H SER 6 H SER 6 -18.577 -4.250 -17.680 23 HA SER 6 HA SER 6 -16.666 -3.497 -15.748 24 HB2 SER 6 1HB SER 6 -18.881 -5.547 -15.498 25 HB3 SER 6 2HB SER 6 -18.039 -4.761 -14.163 26 HG SER 6 HG SER 6 -19.990 -3.705 -14.570 27 H GLY 7 H GLY 7 -15.337 -4.814 -14.408 28 HA2 GLY 7 1HA GLY 7 -14.891 -7.578 -14.993 29 HA3 GLY 7 2HA GLY 7 -13.645 -6.557 -15.697 30 H GLN 8 H GLN 8 -15.390 -6.439 -12.594 31 HA GLN 8 HA GLN 8 -12.769 -6.417 -11.251 32 HB2 GLN 8 1HB GLN 8 -15.360 -5.051 -10.552 33 HB3 GLN 8 2HB GLN 8 -14.069 -5.262 -9.376 34 HG2 GLN 8 1HG GLN 8 -12.549 -4.039 -10.908 35 HG3 GLN 8 2HG GLN 8 -13.929 -3.732 -11.962 36 HE21 GLN 8 1HE2 GLN 8 -15.694 -2.487 -11.097 37 HE22 GLN 8 2HE2 GLN 8 -15.390 -1.303 -9.876 38 H LYS 9 H LYS 9 -12.361 -8.338 -10.385 39 HA LYS 9 HA LYS 9 -14.547 -9.723 -8.974 40 HB2 LYS 9 1HB LYS 9 -12.315 -10.893 -10.636 41 HB3 LYS 9 2HB LYS 9 -13.298 -11.852 -9.537 42 HG2 LYS 9 1HG LYS 9 -15.198 -11.633 -10.834 43 HG3 LYS 9 2HG LYS 9 -14.601 -10.183 -11.644 44 HD2 LYS 9 1HD LYS 9 -13.113 -12.741 -11.999 45 HD3 LYS 9 2HD LYS 9 -14.631 -12.514 -12.871 46 HE2 LYS 9 1HE LYS 9 -12.346 -10.550 -12.935 47 HE3 LYS 9 2HE LYS 9 -12.573 -11.828 -14.128 48 HZ1 LYS 9 3HZ LYS 9 -13.506 -9.467 -14.570 49 HZ2 LYS 9 1HZ LYS 9 -14.777 -9.963 -13.570 50 HZ3 LYS 9 2HZ LYS 9 -14.431 -10.820 -14.986 51 H GLU 10 H GLU 10 -10.991 -9.547 -9.201 52 HA GLU 10 HA GLU 10 -10.827 -10.168 -6.341 53 HB2 GLU 10 1HB GLU 10 -8.908 -10.360 -8.629 54 HB3 GLU 10 2HB GLU 10 -8.282 -10.219 -6.993 55 HG2 GLU 10 1HG GLU 10 -9.285 -12.245 -6.327 56 HG3 GLU 10 2HG GLU 10 -10.280 -12.315 -7.780 57 H LYS 11 H LYS 11 -10.715 -8.519 -4.984 58 HA LYS 11 HA LYS 11 -10.244 -5.849 -5.776 59 HB2 LYS 11 1HB LYS 11 -11.551 -6.645 -3.752 60 HB3 LYS 11 2HB LYS 11 -10.002 -6.928 -2.968 61 HG2 LYS 11 1HG LYS 11 -10.619 -4.834 -2.199 62 HG3 LYS 11 2HG LYS 11 -9.508 -4.467 -3.521 63 HD2 LYS 11 1HD LYS 11 -11.638 -4.370 -4.979 64 HD3 LYS 11 2HD LYS 11 -12.496 -4.230 -3.443 65 HE2 LYS 11 1HE LYS 11 -12.104 -2.022 -4.234 66 HE3 LYS 11 2HE LYS 11 -10.995 -2.298 -2.891 67 HZ1 LYS 11 3HZ LYS 11 -9.766 -3.073 -5.306 68 HZ2 LYS 11 1HZ LYS 11 -9.293 -1.868 -4.216 69 HZ3 LYS 11 2HZ LYS 11 -10.363 -1.499 -5.473 70 H CYS 12 H CYS 12 -8.297 -5.459 -6.713 71 HA CYS 12 HA CYS 12 -5.889 -6.147 -5.166 72 HB2 CYS 12 1HB CYS 12 -6.361 -5.793 -8.114 73 HB3 CYS 12 2HB CYS 12 -4.743 -5.652 -7.437 74 HG CYS 12 HG CYS 12 -5.606 -8.364 -6.146 75 H PHE 13 H PHE 13 -4.673 -4.564 -4.347 76 HA PHE 13 HA PHE 13 -5.426 -1.801 -4.967 77 HB2 PHE 13 1HB PHE 13 -3.693 -2.799 -2.700 78 HB3 PHE 13 2HB PHE 13 -4.388 -1.191 -2.875 79 HD1 PHE 13 HD1 PHE 13 -7.024 -1.173 -3.108 80 HD2 PHE 13 HD2 PHE 13 -4.747 -4.292 -1.317 81 HE1 PHE 13 HE1 PHE 13 -9.010 -1.894 -1.847 82 HE2 PHE 13 HE2 PHE 13 -6.729 -5.018 -0.053 83 HZ PHE 13 HZ PHE 13 -8.865 -3.819 -0.318 84 H LYS 14 H LYS 14 -4.270 -0.937 -6.562 85 HA LYS 14 HA LYS 14 -1.374 -1.477 -6.643 86 HB2 LYS 14 1HB LYS 14 -2.807 -2.210 -8.618 87 HB3 LYS 14 2HB LYS 14 -3.048 -0.501 -8.955 88 HG2 LYS 14 1HG LYS 14 -0.659 -0.199 -9.254 89 HG3 LYS 14 2HG LYS 14 -0.380 -1.895 -8.852 90 HD2 LYS 14 1HD LYS 14 -0.350 -1.920 -11.169 91 HD3 LYS 14 2HD LYS 14 -2.019 -2.366 -10.808 92 HE2 LYS 14 1HE LYS 14 -2.398 -0.756 -12.375 93 HE3 LYS 14 2HE LYS 14 -2.357 0.257 -10.932 94 HZ1 LYS 14 3HZ LYS 14 -0.916 0.772 -13.082 95 HZ2 LYS 14 1HZ LYS 14 0.186 -0.223 -12.270 96 HZ3 LYS 14 2HZ LYS 14 -0.397 1.178 -11.524 97 H CYS 15 H CYS 15 0.044 0.206 -6.692 98 HA CYS 15 HA CYS 15 -0.867 2.736 -5.752 99 HB2 CYS 15 1HB CYS 15 1.432 1.488 -5.417 100 HB3 CYS 15 2HB CYS 15 1.880 2.366 -6.876 101 H ASN 16 H ASN 16 0.182 4.769 -6.875 102 HA ASN 16 HA ASN 16 -0.703 4.696 -9.680 103 HB2 ASN 16 1HB ASN 16 -0.656 6.936 -7.656 104 HB3 ASN 16 2HB ASN 16 -0.943 7.206 -9.373 105 HD21 ASN 16 1HD2 ASN 16 -2.791 6.175 -10.338 106 HD22 ASN 16 2HD2 ASN 16 -4.187 5.847 -9.374 107 H LYS 17 H LYS 17 1.582 6.525 -7.637 108 HA LYS 17 HA LYS 17 3.187 7.505 -9.677 109 HB2 LYS 17 1HB LYS 17 3.559 7.001 -6.770 110 HB3 LYS 17 2HB LYS 17 5.006 7.291 -7.726 111 HG2 LYS 17 1HG LYS 17 3.555 9.336 -8.597 112 HG3 LYS 17 2HG LYS 17 2.796 9.129 -7.016 113 HD2 LYS 17 1HD LYS 17 4.551 10.686 -6.705 114 HD3 LYS 17 2HD LYS 17 5.129 9.157 -6.037 115 HE2 LYS 17 1HE LYS 17 6.321 8.730 -8.164 116 HE3 LYS 17 2HE LYS 17 5.805 10.314 -8.741 117 HZ1 LYS 17 3HZ LYS 17 7.798 10.898 -7.894 118 HZ2 LYS 17 1HZ LYS 17 7.843 9.626 -6.779 119 HZ3 LYS 17 2HZ LYS 17 6.923 11.006 -6.450 120 H CYS 18 H CYS 18 4.077 4.785 -7.545 121 HA CYS 18 HA CYS 18 6.057 3.856 -9.401 122 HB2 CYS 18 1HB CYS 18 6.421 2.050 -7.791 123 HB3 CYS 18 2HB CYS 18 6.357 3.607 -6.973 124 H GLU 19 H GLU 19 2.783 2.930 -8.514 125 HA GLU 19 HA GLU 19 1.244 1.647 -9.603 126 HB2 GLU 19 1HB GLU 19 3.281 1.191 -11.778 127 HB3 GLU 19 2HB GLU 19 1.531 1.087 -11.899 128 HG2 GLU 19 1HG GLU 19 1.330 3.476 -11.614 129 HG3 GLU 19 2HG GLU 19 3.070 3.618 -11.370 130 H LYS 20 H LYS 20 2.776 0.514 -7.619 131 HA LYS 20 HA LYS 20 3.482 -2.158 -8.608 132 HB2 LYS 20 1HB LYS 20 4.222 -0.570 -6.186 133 HB3 LYS 20 2HB LYS 20 4.268 -2.326 -6.093 134 HG2 LYS 20 1HG LYS 20 5.680 -2.131 -8.271 135 HG3 LYS 20 2HG LYS 20 5.935 -0.471 -7.729 136 HD2 LYS 20 1HD LYS 20 6.621 -1.486 -5.491 137 HD3 LYS 20 2HD LYS 20 6.692 -3.030 -6.343 138 HE2 LYS 20 1HE LYS 20 8.892 -2.097 -6.320 139 HE3 LYS 20 2HE LYS 20 8.269 -1.978 -7.965 140 HZ1 LYS 20 3HZ LYS 20 8.928 0.123 -6.078 141 HZ2 LYS 20 1HZ LYS 20 7.508 0.370 -6.964 142 HZ3 LYS 20 2HZ LYS 20 8.976 0.130 -7.769 143 H THR 21 H THR 21 2.403 -3.963 -7.989 144 HA THR 21 HA THR 21 -0.188 -3.590 -6.757 145 HB THR 21 HB THR 21 -0.451 -6.055 -7.206 146 HG1 THR 21 HG1 THR 21 2.090 -6.090 -7.368 147 HG21 THR 21 3HG2 THR 21 -1.264 -5.526 -9.228 148 HG22 THR 21 1HG2 THR 21 0.322 -5.058 -9.838 149 HG23 THR 21 2HG2 THR 21 -0.644 -3.906 -8.915 150 H PHE 22 H PHE 22 -0.880 -4.444 -4.826 151 HA PHE 22 HA PHE 22 1.174 -5.695 -3.127 152 HB2 PHE 22 1HB PHE 22 -0.842 -3.581 -2.346 153 HB3 PHE 22 2HB PHE 22 0.140 -4.481 -1.195 154 HD1 PHE 22 HD2 PHE 22 0.331 -2.149 -4.066 155 HD2 PHE 22 HD1 PHE 22 2.314 -3.800 -0.681 156 HE1 PHE 22 HE2 PHE 22 2.136 -0.498 -4.323 157 HE2 PHE 22 HE1 PHE 22 4.123 -2.151 -0.932 158 HZ PHE 22 HZ PHE 22 4.036 -0.498 -2.755 159 H SER 23 H SER 23 0.154 -6.781 -1.168 160 HA SER 23 HA SER 23 -2.062 -8.424 -2.130 161 HB2 SER 23 1HB SER 23 -0.335 -8.825 0.323 162 HB3 SER 23 2HB SER 23 -1.437 -9.999 -0.397 163 HG SER 23 HG SER 23 0.667 -8.892 -1.906 164 H CYS 24 H CYS 24 -1.135 -6.575 0.762 165 HA CYS 24 HA CYS 24 -3.980 -6.500 1.522 166 HB2 CYS 24 1HB CYS 24 -1.472 -6.678 3.126 167 HB3 CYS 24 2HB CYS 24 -2.829 -5.792 3.812 168 HG CYS 24 HG CYS 24 -4.466 -8.238 3.104 169 H SER 25 H SER 25 -4.589 -4.502 2.775 170 HA SER 25 HA SER 25 -3.831 -2.196 1.228 171 HB2 SER 25 1HB SER 25 -5.569 -1.031 2.476 172 HB3 SER 25 2HB SER 25 -6.177 -2.596 1.937 173 HG SER 25 HG SER 25 -5.943 -1.639 4.439 174 H LYS 26 H LYS 26 -3.637 -3.119 4.657 175 HA LYS 26 HA LYS 26 -2.456 -0.868 5.703 176 HB2 LYS 26 1HB LYS 26 -1.472 -2.348 7.418 177 HB3 LYS 26 2HB LYS 26 -3.161 -2.723 7.102 178 HG2 LYS 26 1HG LYS 26 -2.656 -4.711 6.031 179 HG3 LYS 26 2HG LYS 26 -0.994 -4.222 5.692 180 HD2 LYS 26 1HD LYS 26 -0.466 -4.378 8.080 181 HD3 LYS 26 2HD LYS 26 -2.128 -4.871 8.414 182 HE2 LYS 26 1HE LYS 26 -0.566 -6.419 6.410 183 HE3 LYS 26 2HE LYS 26 -0.185 -6.640 8.117 184 HZ1 LYS 26 3HZ LYS 26 -2.758 -7.149 6.744 185 HZ2 LYS 26 1HZ LYS 26 -2.642 -7.034 8.428 186 HZ3 LYS 26 2HZ LYS 26 -1.796 -8.245 7.603 187 H TYR 27 H TYR 27 -1.046 -3.297 3.654 188 HA TYR 27 HA TYR 27 1.677 -2.535 4.160 189 HB2 TYR 27 1HB TYR 27 0.281 -4.435 2.347 190 HB3 TYR 27 2HB TYR 27 1.885 -3.892 1.866 191 HD1 TYR 27 HD1 TYR 27 3.848 -4.476 3.196 192 HD2 TYR 27 HD2 TYR 27 -0.027 -5.863 4.274 193 HE1 TYR 27 HE1 TYR 27 4.867 -6.134 4.701 194 HE2 TYR 27 HE2 TYR 27 0.981 -7.523 5.783 195 HH TYR 27 HH TYR 27 3.064 -8.683 6.115 196 H LEU 28 H LEU 28 -0.763 -1.810 1.726 197 HA LEU 28 HA LEU 28 1.004 -0.334 0.031 198 HB2 LEU 28 1HB LEU 28 -0.922 -1.312 -0.958 199 HB3 LEU 28 2HB LEU 28 -1.992 -0.532 0.206 200 HG LEU 28 HG LEU 28 -1.364 1.666 -0.823 201 HD11 LEU 28 1HD1 LEU 28 -0.369 1.630 -3.056 202 HD12 LEU 28 2HD1 LEU 28 -0.114 -0.109 -2.916 203 HD13 LEU 28 3HD1 LEU 28 0.742 0.996 -1.841 204 HD21 LEU 28 3HD2 LEU 28 -3.166 1.506 -2.143 205 HD22 LEU 28 1HD2 LEU 28 -3.267 -0.151 -1.547 206 HD23 LEU 28 2HD2 LEU 28 -2.477 0.185 -3.088 207 H THR 29 H THR 29 -1.262 0.479 2.603 208 HA THR 29 HA THR 29 -1.372 3.234 2.326 209 HB THR 29 HB THR 29 -1.342 1.649 4.902 210 HG1 THR 29 HG1 THR 29 -3.015 1.171 3.279 211 HG21 THR 29 3HG2 THR 29 -2.240 3.517 5.998 212 HG22 THR 29 1HG2 THR 29 -2.612 4.340 4.484 213 HG23 THR 29 2HG2 THR 29 -0.937 4.183 5.014 214 H GLN 30 H GLN 30 0.786 1.470 4.560 215 HA GLN 30 HA GLN 30 2.354 3.650 5.289 216 HB2 GLN 30 1HB GLN 30 2.309 1.368 6.369 217 HB3 GLN 30 2HB GLN 30 3.343 0.807 5.061 218 HG2 GLN 30 1HG GLN 30 4.738 1.281 6.913 219 HG3 GLN 30 2HG GLN 30 4.994 2.558 5.725 220 HE21 GLN 30 1HE2 GLN 30 5.832 3.139 8.135 221 HE22 GLN 30 2HE2 GLN 30 4.766 4.221 8.957 222 H HIS 31 H HIS 31 2.746 1.364 2.618 223 HA HIS 31 HA HIS 31 5.253 2.190 1.717 224 HB2 HIS 31 1HB HIS 31 4.563 0.260 0.669 225 HB3 HIS 31 2HB HIS 31 2.910 0.834 0.463 226 HD1 HIS 31 HD1 HIS 31 6.131 0.542 -1.272 227 HD2 HIS 31 HD2 HIS 31 2.581 2.644 -1.761 228 HE1 HIS 31 HE1 HIS 31 6.170 1.385 -3.641 229 H GLU 32 H GLU 32 2.035 3.256 0.611 230 HA GLU 32 HA GLU 32 2.606 5.038 -1.318 231 HB2 GLU 32 1HB GLU 32 0.650 5.273 0.956 232 HB3 GLU 32 2HB GLU 32 0.746 6.501 -0.299 233 HG2 GLU 32 1HG GLU 32 0.515 4.420 -1.889 234 HG3 GLU 32 2HG GLU 32 -0.215 3.696 -0.457 235 H ARG 33 H ARG 33 3.388 5.390 2.057 236 HA ARG 33 HA ARG 33 3.871 8.123 2.215 237 HB2 ARG 33 1HB ARG 33 5.309 5.846 3.589 238 HB3 ARG 33 2HB ARG 33 5.468 7.538 4.039 239 HG2 ARG 33 1HG ARG 33 3.113 7.635 4.610 240 HG3 ARG 33 2HG ARG 33 2.905 5.960 4.095 241 HD2 ARG 33 1HD ARG 33 3.108 5.835 6.423 242 HD3 ARG 33 2HD ARG 33 4.703 5.393 5.817 243 HE ARG 33 HE ARG 33 3.996 7.777 7.303 244 HH11 ARG 33 1HH1 ARG 33 6.350 6.167 5.305 245 HH12 ARG 33 2HH1 ARG 33 7.671 7.151 5.843 246 HH21 ARG 33 1HH2 ARG 33 5.728 9.078 8.019 247 HH22 ARG 33 2HH2 ARG 33 7.316 8.805 7.387 248 H ILE 34 H ILE 34 6.079 5.511 1.252 249 HA ILE 34 HA ILE 34 8.461 6.666 0.949 250 HB ILE 34 HB ILE 34 8.956 5.271 -0.905 251 HG12 ILE 34 1HG1 ILE 34 5.992 4.937 -1.393 252 HG13 ILE 34 2HG1 ILE 34 7.009 6.058 -2.290 253 HG21 ILE 34 1HG2 ILE 34 6.982 3.395 0.001 254 HG22 ILE 34 2HG2 ILE 34 8.717 3.431 0.313 255 HG23 ILE 34 3HG2 ILE 34 7.614 4.321 1.362 256 HD11 ILE 34 3HD1 ILE 34 8.028 4.405 -3.466 257 HD12 ILE 34 1HD1 ILE 34 7.848 3.218 -2.174 258 HD13 ILE 34 2HD1 ILE 34 6.464 3.640 -3.184 259 H HIS 35 H HIS 35 5.629 7.448 -0.953 260 HA HIS 35 HA HIS 35 7.125 9.208 -2.714 261 HB2 HIS 35 1HB HIS 35 4.133 8.811 -2.547 262 HB3 HIS 35 2HB HIS 35 5.029 9.562 -3.864 263 HD1 HIS 35 HD1 HIS 35 6.985 7.712 -4.829 264 HD2 HIS 35 HD2 HIS 35 3.435 6.296 -3.201 265 HE1 HIS 35 HE1 HIS 35 6.719 5.378 -5.725 266 H THR 36 H THR 36 7.867 10.515 -0.848 267 HA THR 36 HA THR 36 6.024 12.740 -0.425 268 HB THR 36 HB THR 36 6.713 12.851 2.004 269 HG1 THR 36 HG1 THR 36 7.671 10.259 1.341 270 HG21 THR 36 3HG2 THR 36 5.151 10.932 2.665 271 HG22 THR 36 1HG2 THR 36 4.997 10.625 0.936 272 HG23 THR 36 2HG2 THR 36 4.497 12.179 1.604 273 H ARG 37 H ARG 37 7.026 14.722 -0.080 274 HA ARG 37 HA ARG 37 9.933 14.814 0.093 275 HB2 ARG 37 1HB ARG 37 10.241 16.139 -1.867 276 HB3 ARG 37 2HB ARG 37 9.316 14.722 -2.344 277 HG2 ARG 37 1HG ARG 37 7.247 16.133 -2.133 278 HG3 ARG 37 2HG ARG 37 8.314 17.526 -1.944 279 HD2 ARG 37 1HD ARG 37 8.496 15.646 -4.284 280 HD3 ARG 37 2HD ARG 37 7.445 17.062 -4.284 281 HE ARG 37 HE ARG 37 10.273 17.027 -4.645 282 HH11 ARG 37 1HH1 ARG 37 7.633 18.913 -3.381 283 HH12 ARG 37 2HH1 ARG 37 8.447 20.429 -3.585 284 HH21 ARG 37 1HH2 ARG 37 11.355 19.017 -4.918 285 HH22 ARG 37 2HH2 ARG 37 10.563 20.487 -4.460 286 H GLY 38 H GLY 38 10.756 16.930 0.625 287 HA2 GLY 38 1HA GLY 38 9.793 19.328 0.949 288 HA3 GLY 38 2HA GLY 38 8.766 18.498 2.109 289 H VAL 39 H VAL 39 12.225 18.756 1.281 290 HA VAL 39 HA VAL 39 12.803 18.797 4.171 291 HB VAL 39 HB VAL 39 14.605 17.923 1.908 292 HG11 VAL 39 1HG1 VAL 39 16.077 18.788 3.472 293 HG12 VAL 39 2HG1 VAL 39 15.064 18.315 4.838 294 HG13 VAL 39 3HG1 VAL 39 15.974 17.093 3.949 295 HG21 VAL 39 3HG2 VAL 39 13.163 16.144 2.166 296 HG22 VAL 39 1HG2 VAL 39 14.428 15.734 3.325 297 HG23 VAL 39 2HG2 VAL 39 12.918 16.453 3.885 298 H LYS 40 H LYS 40 13.338 20.731 4.915 299 HA LYS 40 HA LYS 40 15.334 22.339 3.652 300 HB2 LYS 40 1HB LYS 40 12.987 22.797 2.509 301 HB3 LYS 40 2HB LYS 40 12.744 23.796 3.936 302 HG2 LYS 40 1HG LYS 40 15.239 24.108 2.333 303 HG3 LYS 40 2HG LYS 40 13.731 24.827 1.761 304 HD2 LYS 40 1HD LYS 40 13.522 25.897 4.040 305 HD3 LYS 40 2HD LYS 40 15.176 25.364 4.350 306 HE2 LYS 40 1HE LYS 40 15.746 26.564 2.145 307 HE3 LYS 40 2HE LYS 40 14.180 27.351 2.335 308 HZ1 LYS 40 3HZ LYS 40 14.976 28.680 3.914 309 HZ2 LYS 40 1HZ LYS 40 16.521 28.188 3.429 310 HZ3 LYS 40 2HZ LYS 40 15.757 27.418 4.727 311 H SER 41 H SER 41 16.289 23.712 5.083 312 HA SER 41 HA SER 41 16.151 23.324 7.772 313 HB2 SER 41 1HB SER 41 17.984 24.574 6.935 314 HB3 SER 41 2HB SER 41 16.929 25.792 6.220 315 HG SER 41 HG SER 41 17.939 25.650 8.730 316 H GLY 42 H GLY 42 14.944 26.396 6.443 317 HA2 GLY 42 1HA GLY 42 13.421 27.181 8.583 318 HA3 GLY 42 2HA GLY 42 13.044 27.605 6.920 319 HA PRO 43 HA PRO 43 9.784 24.762 8.900 320 HB2 PRO 43 1HB PRO 43 7.837 26.615 9.282 321 HB3 PRO 43 2HB PRO 43 9.044 26.223 10.512 322 HG2 PRO 43 1HG PRO 43 8.975 28.516 8.589 323 HG3 PRO 43 2HG PRO 43 9.400 28.512 10.311 324 HD2 PRO 43 1HD PRO 43 11.267 28.543 8.350 325 HD3 PRO 43 2HD PRO 43 11.536 27.742 9.911 326 H SER 44 H SER 44 9.259 27.598 6.806 327 HA SER 44 HA SER 44 7.959 27.887 4.945 328 HB2 SER 44 1HB SER 44 9.433 25.316 4.519 329 HB3 SER 44 2HB SER 44 8.250 25.833 3.319 330 HG SER 44 HG SER 44 10.529 27.269 4.211 331 H SER 45 H SER 45 6.437 27.039 7.105 332 HA SER 45 HA SER 45 4.240 25.748 5.711 333 HB2 SER 45 1HB SER 45 5.715 24.508 7.993 334 HB3 SER 45 2HB SER 45 3.964 24.308 7.922 335 HG SER 45 HG SER 45 4.573 22.680 6.691 336 H GLY 46 H GLY 46 2.205 26.160 6.635 337 HA2 GLY 46 1HA GLY 46 2.154 28.545 8.289 338 HA3 GLY 46 2HA GLY 46 0.778 27.793 7.496 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -31.970 -1.174 -16.156 2 HA2 GLY 1 1HA GLY 1 -33.216 -3.713 -15.363 3 HA3 GLY 1 2HA GLY 1 -31.636 -3.534 -16.111 4 H SER 2 H SER 2 -33.439 -3.415 -13.137 5 HA SER 2 HA SER 2 -31.156 -2.678 -11.533 6 HB2 SER 2 1HB SER 2 -33.911 -3.658 -10.747 7 HB3 SER 2 2HB SER 2 -32.688 -3.081 -9.616 8 HG SER 2 HG SER 2 -33.723 -1.543 -11.764 9 H SER 3 H SER 3 -30.472 -4.854 -13.032 10 HA SER 3 HA SER 3 -30.389 -7.020 -11.034 11 HB2 SER 3 1HB SER 3 -30.237 -8.622 -12.909 12 HB3 SER 3 2HB SER 3 -31.737 -7.695 -12.964 13 HG SER 3 HG SER 3 -29.659 -7.771 -14.742 14 H GLY 4 H GLY 4 -28.447 -6.297 -10.135 15 HA2 GLY 4 1HA GLY 4 -26.091 -7.275 -11.357 16 HA3 GLY 4 2HA GLY 4 -26.155 -5.526 -11.524 17 H SER 5 H SER 5 -27.253 -7.551 -8.830 18 HA SER 5 HA SER 5 -26.336 -5.903 -6.812 19 HB2 SER 5 1HB SER 5 -26.694 -7.723 -5.308 20 HB3 SER 5 2HB SER 5 -27.886 -7.902 -6.596 21 HG SER 5 HG SER 5 -26.925 -9.675 -7.254 22 H SER 6 H SER 6 -24.358 -5.261 -6.316 23 HA SER 6 HA SER 6 -22.098 -7.054 -6.905 24 HB2 SER 6 1HB SER 6 -22.331 -4.053 -6.841 25 HB3 SER 6 2HB SER 6 -20.762 -4.848 -6.709 26 HG SER 6 HG SER 6 -21.479 -4.260 -8.891 27 H GLY 7 H GLY 7 -20.168 -6.670 -5.419 28 HA2 GLY 7 1HA GLY 7 -20.827 -5.849 -2.716 29 HA3 GLY 7 2HA GLY 7 -20.556 -7.573 -2.918 30 H GLN 8 H GLN 8 -18.462 -8.224 -3.857 31 HA GLN 8 HA GLN 8 -16.340 -6.504 -2.802 32 HB2 GLN 8 1HB GLN 8 -16.255 -9.411 -3.626 33 HB3 GLN 8 2HB GLN 8 -14.931 -8.516 -2.892 34 HG2 GLN 8 1HG GLN 8 -17.591 -8.880 -1.549 35 HG3 GLN 8 2HG GLN 8 -16.258 -10.018 -1.365 36 HE21 GLN 8 1HE2 GLN 8 -16.295 -9.534 0.882 37 HE22 GLN 8 2HE2 GLN 8 -15.551 -8.096 1.484 38 H LYS 9 H LYS 9 -14.261 -6.478 -4.016 39 HA LYS 9 HA LYS 9 -14.527 -6.802 -6.904 40 HB2 LYS 9 1HB LYS 9 -13.809 -4.181 -5.578 41 HB3 LYS 9 2HB LYS 9 -13.628 -4.511 -7.296 42 HG2 LYS 9 1HG LYS 9 -16.277 -4.788 -5.923 43 HG3 LYS 9 2HG LYS 9 -15.701 -3.232 -6.525 44 HD2 LYS 9 1HD LYS 9 -15.817 -5.687 -8.259 45 HD3 LYS 9 2HD LYS 9 -17.189 -4.591 -8.081 46 HE2 LYS 9 1HE LYS 9 -15.426 -2.759 -8.681 47 HE3 LYS 9 2HE LYS 9 -14.528 -4.118 -9.355 48 HZ1 LYS 9 3HZ LYS 9 -16.392 -2.718 -10.682 49 HZ2 LYS 9 1HZ LYS 9 -17.312 -4.020 -10.116 50 HZ3 LYS 9 2HZ LYS 9 -15.940 -4.303 -11.063 51 H GLU 10 H GLU 10 -12.322 -6.071 -7.945 52 HA GLU 10 HA GLU 10 -10.363 -7.805 -7.424 53 HB2 GLU 10 1HB GLU 10 -8.760 -6.298 -8.431 54 HB3 GLU 10 2HB GLU 10 -10.306 -6.140 -9.254 55 HG2 GLU 10 1HG GLU 10 -10.674 -4.172 -7.587 56 HG3 GLU 10 2HG GLU 10 -8.918 -4.221 -7.446 57 H LYS 11 H LYS 11 -9.285 -8.384 -5.671 58 HA LYS 11 HA LYS 11 -9.173 -6.757 -3.331 59 HB2 LYS 11 1HB LYS 11 -9.287 -9.126 -3.040 60 HB3 LYS 11 2HB LYS 11 -7.879 -9.383 -4.062 61 HG2 LYS 11 1HG LYS 11 -7.077 -9.685 -1.902 62 HG3 LYS 11 2HG LYS 11 -6.590 -8.038 -2.310 63 HD2 LYS 11 1HD LYS 11 -7.460 -7.951 -0.108 64 HD3 LYS 11 2HD LYS 11 -8.700 -7.261 -1.158 65 HE2 LYS 11 1HE LYS 11 -10.048 -9.169 -1.007 66 HE3 LYS 11 2HE LYS 11 -8.725 -10.165 -0.405 67 HZ1 LYS 11 3HZ LYS 11 -10.518 -8.416 1.034 68 HZ2 LYS 11 1HZ LYS 11 -8.894 -8.273 1.487 69 HZ3 LYS 11 2HZ LYS 11 -9.667 -9.775 1.572 70 H CYS 12 H CYS 12 -6.788 -7.761 -5.755 71 HA CYS 12 HA CYS 12 -4.443 -6.878 -4.764 72 HB2 CYS 12 1HB CYS 12 -5.534 -6.523 -7.555 73 HB3 CYS 12 2HB CYS 12 -3.868 -6.148 -7.132 74 HG CYS 12 HG CYS 12 -5.006 -9.236 -6.352 75 H PHE 13 H PHE 13 -3.449 -5.003 -4.260 76 HA PHE 13 HA PHE 13 -5.002 -2.528 -4.640 77 HB2 PHE 13 1HB PHE 13 -2.952 -3.047 -2.481 78 HB3 PHE 13 2HB PHE 13 -4.063 -1.686 -2.594 79 HD1 PHE 13 HD1 PHE 13 -6.496 -2.055 -2.246 80 HD2 PHE 13 HD2 PHE 13 -3.606 -5.089 -1.498 81 HE1 PHE 13 HE1 PHE 13 -8.140 -3.281 -0.887 82 HE2 PHE 13 HE2 PHE 13 -5.246 -6.320 -0.138 83 HZ PHE 13 HZ PHE 13 -7.516 -5.417 0.169 84 H LYS 14 H LYS 14 -4.129 -1.777 -6.522 85 HA LYS 14 HA LYS 14 -1.267 -1.715 -6.923 86 HB2 LYS 14 1HB LYS 14 -3.097 -2.038 -8.721 87 HB3 LYS 14 2HB LYS 14 -3.289 -0.292 -8.635 88 HG2 LYS 14 1HG LYS 14 -1.200 0.116 -9.528 89 HG3 LYS 14 2HG LYS 14 -0.582 -1.473 -9.073 90 HD2 LYS 14 1HD LYS 14 -1.844 -2.539 -10.795 91 HD3 LYS 14 2HD LYS 14 -2.734 -1.055 -11.141 92 HE2 LYS 14 1HE LYS 14 -0.752 0.000 -11.992 93 HE3 LYS 14 2HE LYS 14 0.246 -1.361 -11.483 94 HZ1 LYS 14 3HZ LYS 14 -1.383 -2.667 -13.033 95 HZ2 LYS 14 1HZ LYS 14 -0.052 -1.845 -13.677 96 HZ3 LYS 14 2HZ LYS 14 -1.593 -1.152 -13.756 97 H CYS 15 H CYS 15 0.038 0.101 -6.986 98 HA CYS 15 HA CYS 15 -0.863 2.312 -5.345 99 HB2 CYS 15 1HB CYS 15 1.483 1.077 -5.386 100 HB3 CYS 15 2HB CYS 15 1.833 2.275 -6.627 101 H ASN 16 H ASN 16 0.252 4.525 -6.156 102 HA ASN 16 HA ASN 16 -0.913 5.006 -8.813 103 HB2 ASN 16 1HB ASN 16 -1.673 6.241 -6.621 104 HB3 ASN 16 2HB ASN 16 -0.233 7.215 -6.907 105 HD21 ASN 16 1HD2 ASN 16 -0.159 8.590 -8.657 106 HD22 ASN 16 2HD2 ASN 16 -1.559 8.993 -9.586 107 H LYS 17 H LYS 17 1.666 6.434 -6.800 108 HA LYS 17 HA LYS 17 3.117 7.600 -8.850 109 HB2 LYS 17 1HB LYS 17 3.386 7.624 -6.211 110 HB3 LYS 17 2HB LYS 17 4.601 6.400 -6.555 111 HG2 LYS 17 1HG LYS 17 4.668 8.947 -8.090 112 HG3 LYS 17 2HG LYS 17 5.231 8.941 -6.416 113 HD2 LYS 17 1HD LYS 17 6.876 7.277 -6.902 114 HD3 LYS 17 2HD LYS 17 6.212 7.012 -8.516 115 HE2 LYS 17 1HE LYS 17 7.960 8.379 -9.044 116 HE3 LYS 17 2HE LYS 17 6.717 9.595 -8.755 117 HZ1 LYS 17 3HZ LYS 17 8.319 10.440 -7.433 118 HZ2 LYS 17 1HZ LYS 17 9.084 8.951 -7.189 119 HZ3 LYS 17 2HZ LYS 17 7.693 9.341 -6.310 120 H CYS 18 H CYS 18 4.194 4.644 -7.174 121 HA CYS 18 HA CYS 18 5.844 3.879 -9.386 122 HB2 CYS 18 1HB CYS 18 6.370 1.901 -8.044 123 HB3 CYS 18 2HB CYS 18 6.478 3.362 -7.068 124 H GLU 19 H GLU 19 2.679 2.974 -8.175 125 HA GLU 19 HA GLU 19 0.968 1.820 -9.141 126 HB2 GLU 19 1HB GLU 19 2.660 1.608 -11.629 127 HB3 GLU 19 2HB GLU 19 0.909 1.511 -11.508 128 HG2 GLU 19 1HG GLU 19 0.767 3.845 -10.952 129 HG3 GLU 19 2HG GLU 19 2.524 3.974 -10.894 130 H LYS 20 H LYS 20 2.680 0.430 -7.533 131 HA LYS 20 HA LYS 20 3.122 -2.127 -8.915 132 HB2 LYS 20 1HB LYS 20 4.385 -0.814 -6.551 133 HB3 LYS 20 2HB LYS 20 4.338 -2.571 -6.602 134 HG2 LYS 20 1HG LYS 20 5.471 -2.502 -8.796 135 HG3 LYS 20 2HG LYS 20 5.593 -0.747 -8.643 136 HD2 LYS 20 1HD LYS 20 6.693 -1.384 -6.325 137 HD3 LYS 20 2HD LYS 20 7.037 -2.894 -7.172 138 HE2 LYS 20 1HE LYS 20 7.777 -0.139 -8.154 139 HE3 LYS 20 2HE LYS 20 8.876 -1.256 -7.345 140 HZ1 LYS 20 3HZ LYS 20 9.247 -1.507 -9.639 141 HZ2 LYS 20 1HZ LYS 20 7.594 -1.570 -9.996 142 HZ3 LYS 20 2HZ LYS 20 8.334 -2.858 -9.188 143 H THR 21 H THR 21 1.802 -3.775 -8.528 144 HA THR 21 HA THR 21 -0.438 -3.534 -6.817 145 HB THR 21 HB THR 21 -0.751 -6.001 -7.303 146 HG1 THR 21 HG1 THR 21 0.953 -6.997 -8.048 147 HG21 THR 21 3HG2 THR 21 -1.786 -5.480 -9.247 148 HG22 THR 21 1HG2 THR 21 -0.341 -4.749 -9.944 149 HG23 THR 21 2HG2 THR 21 -1.331 -3.834 -8.807 150 H PHE 22 H PHE 22 -0.975 -4.749 -4.949 151 HA PHE 22 HA PHE 22 1.291 -5.952 -3.518 152 HB2 PHE 22 1HB PHE 22 -0.577 -3.814 -2.507 153 HB3 PHE 22 2HB PHE 22 0.320 -4.861 -1.413 154 HD1 PHE 22 HD2 PHE 22 0.599 -2.217 -3.945 155 HD2 PHE 22 HD1 PHE 22 2.665 -4.584 -1.073 156 HE1 PHE 22 HE2 PHE 22 2.544 -0.721 -4.116 157 HE2 PHE 22 HE1 PHE 22 4.614 -3.090 -1.239 158 HZ PHE 22 HZ PHE 22 4.555 -1.156 -2.763 159 H SER 23 H SER 23 0.392 -7.009 -1.399 160 HA SER 23 HA SER 23 -1.785 -8.756 -2.254 161 HB2 SER 23 1HB SER 23 0.468 -8.973 -0.320 162 HB3 SER 23 2HB SER 23 -0.997 -9.887 0.040 163 HG SER 23 HG SER 23 -0.813 -10.797 -2.078 164 H CYS 24 H CYS 24 -0.880 -6.691 0.481 165 HA CYS 24 HA CYS 24 -3.694 -6.752 1.353 166 HB2 CYS 24 1HB CYS 24 -1.137 -6.619 2.920 167 HB3 CYS 24 2HB CYS 24 -2.628 -5.981 3.600 168 HG CYS 24 HG CYS 24 -1.748 -9.191 3.010 169 H SER 25 H SER 25 -4.721 -4.836 1.804 170 HA SER 25 HA SER 25 -3.881 -2.542 0.418 171 HB2 SER 25 1HB SER 25 -6.259 -3.275 1.240 172 HB3 SER 25 2HB SER 25 -5.834 -2.365 2.689 173 HG SER 25 HG SER 25 -5.532 -0.538 1.397 174 H LYS 26 H LYS 26 -4.034 -3.156 3.925 175 HA LYS 26 HA LYS 26 -3.098 -0.823 4.943 176 HB2 LYS 26 1HB LYS 26 -2.187 -2.081 6.811 177 HB3 LYS 26 2HB LYS 26 -3.713 -2.790 6.300 178 HG2 LYS 26 1HG LYS 26 -2.284 -4.411 4.928 179 HG3 LYS 26 2HG LYS 26 -0.934 -3.839 5.910 180 HD2 LYS 26 1HD LYS 26 -3.466 -4.793 7.199 181 HD3 LYS 26 2HD LYS 26 -2.237 -5.944 6.668 182 HE2 LYS 26 1HE LYS 26 -0.603 -4.978 8.108 183 HE3 LYS 26 2HE LYS 26 -1.650 -3.609 8.477 184 HZ1 LYS 26 3HZ LYS 26 -3.005 -5.976 9.127 185 HZ2 LYS 26 1HZ LYS 26 -2.489 -4.743 10.164 186 HZ3 LYS 26 2HZ LYS 26 -1.465 -6.046 9.825 187 H TYR 27 H TYR 27 -1.102 -3.432 3.598 188 HA TYR 27 HA TYR 27 1.404 -2.322 4.114 189 HB2 TYR 27 1HB TYR 27 0.356 -4.278 2.111 190 HB3 TYR 27 2HB TYR 27 1.993 -3.661 1.914 191 HD1 TYR 27 HD2 TYR 27 -0.246 -5.446 4.272 192 HD2 TYR 27 HD1 TYR 27 3.767 -4.509 3.211 193 HE1 TYR 27 HE2 TYR 27 0.566 -7.097 5.904 194 HE2 TYR 27 HE1 TYR 27 4.589 -6.158 4.839 195 HH TYR 27 HH TYR 27 2.676 -7.487 7.236 196 H LEU 28 H LEU 28 -0.741 -1.913 1.322 197 HA LEU 28 HA LEU 28 1.003 -0.308 -0.203 198 HB2 LEU 28 1HB LEU 28 -0.829 -1.325 -1.299 199 HB3 LEU 28 2HB LEU 28 -1.986 -0.618 -0.173 200 HG LEU 28 HG LEU 28 -1.418 1.625 -1.137 201 HD11 LEU 28 1HD1 LEU 28 0.086 -0.087 -3.105 202 HD12 LEU 28 2HD1 LEU 28 0.731 1.199 -2.086 203 HD13 LEU 28 3HD1 LEU 28 -0.375 1.589 -3.402 204 HD21 LEU 28 3HD2 LEU 28 -2.817 1.354 -3.071 205 HD22 LEU 28 1HD2 LEU 28 -3.411 0.297 -1.790 206 HD23 LEU 28 2HD2 LEU 28 -2.479 -0.377 -3.127 207 H THR 29 H THR 29 -1.854 0.674 1.698 208 HA THR 29 HA THR 29 -1.806 3.347 1.532 209 HB THR 29 HB THR 29 -2.055 1.892 4.172 210 HG1 THR 29 HG1 THR 29 -4.401 2.199 3.463 211 HG21 THR 29 3HG2 THR 29 -3.145 3.760 5.017 212 HG22 THR 29 1HG2 THR 29 -3.499 4.405 3.415 213 HG23 THR 29 2HG2 THR 29 -1.857 4.483 4.053 214 H GLN 30 H GLN 30 0.089 1.641 4.033 215 HA GLN 30 HA GLN 30 1.538 3.884 4.877 216 HB2 GLN 30 1HB GLN 30 1.294 1.459 5.883 217 HB3 GLN 30 2HB GLN 30 2.772 1.164 4.977 218 HG2 GLN 30 1HG GLN 30 3.636 1.781 6.991 219 HG3 GLN 30 2HG GLN 30 3.579 3.344 6.179 220 HE21 GLN 30 1HE2 GLN 30 3.239 2.165 9.055 221 HE22 GLN 30 2HE2 GLN 30 1.913 3.082 9.674 222 H HIS 31 H HIS 31 2.252 1.452 2.413 223 HA HIS 31 HA HIS 31 4.871 2.161 1.814 224 HB2 HIS 31 1HB HIS 31 4.227 0.228 0.737 225 HB3 HIS 31 2HB HIS 31 2.653 0.876 0.286 226 HD1 HIS 31 HD1 HIS 31 6.009 0.275 -1.011 227 HD2 HIS 31 HD2 HIS 31 2.790 2.721 -1.967 228 HE1 HIS 31 HE1 HIS 31 6.437 1.061 -3.361 229 H GLU 32 H GLU 32 1.895 3.299 0.207 230 HA GLU 32 HA GLU 32 2.750 4.989 -1.663 231 HB2 GLU 32 1HB GLU 32 0.633 5.523 0.418 232 HB3 GLU 32 2HB GLU 32 0.899 6.587 -0.957 233 HG2 GLU 32 1HG GLU 32 0.659 4.314 -2.291 234 HG3 GLU 32 2HG GLU 32 -0.263 3.863 -0.858 235 H ARG 33 H ARG 33 2.980 5.608 1.800 236 HA ARG 33 HA ARG 33 3.701 8.240 1.895 237 HB2 ARG 33 1HB ARG 33 4.858 5.936 3.472 238 HB3 ARG 33 2HB ARG 33 5.115 7.630 3.871 239 HG2 ARG 33 1HG ARG 33 2.531 7.763 3.905 240 HG3 ARG 33 2HG ARG 33 2.615 6.006 4.048 241 HD2 ARG 33 1HD ARG 33 3.870 8.032 5.896 242 HD3 ARG 33 2HD ARG 33 2.479 7.006 6.246 243 HE ARG 33 HE ARG 33 4.910 5.599 5.556 244 HH11 ARG 33 1HH1 ARG 33 2.921 6.907 8.096 245 HH12 ARG 33 2HH1 ARG 33 3.590 5.885 9.325 246 HH21 ARG 33 1HH2 ARG 33 5.799 4.248 7.165 247 HH22 ARG 33 2HH2 ARG 33 5.228 4.374 8.794 248 H ILE 34 H ILE 34 5.897 5.499 1.318 249 HA ILE 34 HA ILE 34 8.328 6.597 1.169 250 HB ILE 34 HB ILE 34 8.982 5.023 -0.478 251 HG12 ILE 34 1HG1 ILE 34 6.080 4.687 -1.255 252 HG13 ILE 34 2HG1 ILE 34 7.217 5.702 -2.136 253 HG21 ILE 34 1HG2 ILE 34 6.915 3.236 0.349 254 HG22 ILE 34 2HG2 ILE 34 8.582 3.342 0.913 255 HG23 ILE 34 3HG2 ILE 34 7.326 4.307 1.689 256 HD11 ILE 34 3HD1 ILE 34 8.635 3.625 -2.411 257 HD12 ILE 34 1HD1 ILE 34 7.236 2.720 -1.833 258 HD13 ILE 34 2HD1 ILE 34 7.118 3.677 -3.310 259 H HIS 35 H HIS 35 5.708 7.257 -1.044 260 HA HIS 35 HA HIS 35 7.388 8.763 -2.861 261 HB2 HIS 35 1HB HIS 35 4.370 8.614 -2.820 262 HB3 HIS 35 2HB HIS 35 5.398 9.103 -4.164 263 HD1 HIS 35 HD1 HIS 35 7.239 6.959 -4.713 264 HD2 HIS 35 HD2 HIS 35 3.445 6.124 -3.241 265 HE1 HIS 35 HE1 HIS 35 6.790 4.563 -5.331 266 H THR 36 H THR 36 7.585 9.767 -0.298 267 HA THR 36 HA THR 36 5.911 12.173 -0.259 268 HB THR 36 HB THR 36 7.122 12.502 2.012 269 HG1 THR 36 HG1 THR 36 8.699 10.938 1.878 270 HG21 THR 36 3HG2 THR 36 4.968 10.581 1.304 271 HG22 THR 36 1HG2 THR 36 4.902 12.038 2.294 272 HG23 THR 36 2HG2 THR 36 5.581 10.551 2.957 273 H ARG 37 H ARG 37 7.762 12.156 -2.292 274 HA ARG 37 HA ARG 37 10.239 13.345 -1.612 275 HB2 ARG 37 1HB ARG 37 9.470 12.193 -3.820 276 HB3 ARG 37 2HB ARG 37 8.890 13.796 -4.253 277 HG2 ARG 37 1HG ARG 37 11.025 14.691 -4.329 278 HG3 ARG 37 2HG ARG 37 11.705 13.405 -3.331 279 HD2 ARG 37 1HD ARG 37 10.696 13.108 -6.159 280 HD3 ARG 37 2HD ARG 37 12.388 13.184 -5.669 281 HE ARG 37 HE ARG 37 11.060 11.094 -4.304 282 HH11 ARG 37 1HH1 ARG 37 12.327 11.951 -7.431 283 HH12 ARG 37 2HH1 ARG 37 12.631 10.312 -7.902 284 HH21 ARG 37 1HH2 ARG 37 11.455 8.931 -4.912 285 HH22 ARG 37 2HH2 ARG 37 12.133 8.595 -6.469 286 H GLY 38 H GLY 38 10.315 15.208 -0.514 287 HA2 GLY 38 1HA GLY 38 8.326 17.260 -0.826 288 HA3 GLY 38 2HA GLY 38 9.767 17.347 0.175 289 H VAL 39 H VAL 39 8.773 19.470 -1.409 290 HA VAL 39 HA VAL 39 10.548 19.616 -3.720 291 HB VAL 39 HB VAL 39 8.483 21.580 -2.716 292 HG11 VAL 39 1HG1 VAL 39 9.457 23.069 -4.047 293 HG12 VAL 39 2HG1 VAL 39 10.616 21.869 -4.623 294 HG13 VAL 39 3HG1 VAL 39 9.050 22.038 -5.418 295 HG21 VAL 39 3HG2 VAL 39 8.076 19.160 -3.957 296 HG22 VAL 39 1HG2 VAL 39 6.947 20.515 -3.943 297 HG23 VAL 39 2HG2 VAL 39 8.052 20.302 -5.300 298 H LYS 40 H LYS 40 12.596 19.873 -2.912 299 HA LYS 40 HA LYS 40 13.297 22.501 -2.011 300 HB2 LYS 40 1HB LYS 40 12.581 21.360 0.107 301 HB3 LYS 40 2HB LYS 40 13.883 20.203 -0.138 302 HG2 LYS 40 1HG LYS 40 15.445 22.213 -0.170 303 HG3 LYS 40 2HG LYS 40 14.080 23.134 0.466 304 HD2 LYS 40 1HD LYS 40 15.169 22.494 2.401 305 HD3 LYS 40 2HD LYS 40 13.958 21.222 2.229 306 HE2 LYS 40 1HE LYS 40 16.086 20.232 2.782 307 HE3 LYS 40 2HE LYS 40 15.658 19.807 1.125 308 HZ1 LYS 40 3HZ LYS 40 17.369 22.145 1.666 309 HZ2 LYS 40 1HZ LYS 40 17.259 21.207 0.262 310 HZ3 LYS 40 2HZ LYS 40 18.037 20.591 1.632 311 H SER 41 H SER 41 15.204 23.001 -2.871 312 HA SER 41 HA SER 41 16.963 20.795 -3.714 313 HB2 SER 41 1HB SER 41 16.830 23.589 -4.869 314 HB3 SER 41 2HB SER 41 17.758 22.229 -5.499 315 HG SER 41 HG SER 41 15.476 21.224 -5.503 316 H GLY 42 H GLY 42 19.241 21.073 -3.529 317 HA2 GLY 42 1HA GLY 42 20.901 22.914 -2.748 318 HA3 GLY 42 2HA GLY 42 19.962 22.803 -1.267 319 HA PRO 43 HA PRO 43 23.289 19.335 -1.809 320 HB2 PRO 43 1HB PRO 43 25.570 20.578 -1.019 321 HB3 PRO 43 2HB PRO 43 25.067 20.477 -2.710 322 HG2 PRO 43 1HG PRO 43 24.763 22.741 -0.776 323 HG3 PRO 43 2HG PRO 43 25.253 22.783 -2.480 324 HD2 PRO 43 1HD PRO 43 22.743 23.395 -1.671 325 HD3 PRO 43 2HD PRO 43 23.082 22.634 -3.239 326 H SER 44 H SER 44 24.825 18.601 0.030 327 HA SER 44 HA SER 44 23.427 19.106 2.552 328 HB2 SER 44 1HB SER 44 24.254 17.007 3.306 329 HB3 SER 44 2HB SER 44 23.758 16.752 1.633 330 HG SER 44 HG SER 44 26.365 17.007 2.686 331 H SER 45 H SER 45 24.909 18.881 4.548 332 HA SER 45 HA SER 45 26.541 21.089 4.743 333 HB2 SER 45 1HB SER 45 25.721 20.015 6.735 334 HB3 SER 45 2HB SER 45 26.587 18.527 6.352 335 HG SER 45 HG SER 45 27.922 20.989 6.742 336 H GLY 46 H GLY 46 28.694 21.521 4.508 337 HA2 GLY 46 1HA GLY 46 30.201 19.596 2.909 338 HA3 GLY 46 2HA GLY 46 30.602 21.290 3.146 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -11.508 -9.003 -11.806 2 HA2 GLY 1 1HA GLY 1 -10.800 -10.822 -13.971 3 HA3 GLY 1 2HA GLY 1 -10.588 -11.439 -12.339 4 H SER 2 H SER 2 -12.709 -10.656 -10.962 5 HA SER 2 HA SER 2 -14.870 -11.204 -10.506 6 HB2 SER 2 1HB SER 2 -15.277 -10.513 -13.427 7 HB3 SER 2 2HB SER 2 -16.547 -10.629 -12.209 8 HG SER 2 HG SER 2 -16.066 -8.690 -11.578 9 H SER 3 H SER 3 -13.205 -13.361 -11.056 10 HA SER 3 HA SER 3 -14.338 -15.164 -12.940 11 HB2 SER 3 1HB SER 3 -12.388 -15.443 -10.671 12 HB3 SER 3 2HB SER 3 -13.009 -16.875 -11.493 13 HG SER 3 HG SER 3 -10.983 -15.764 -12.297 14 H GLY 4 H GLY 4 -14.371 -15.227 -9.367 15 HA2 GLY 4 1HA GLY 4 -17.132 -15.782 -9.174 16 HA3 GLY 4 2HA GLY 4 -16.235 -17.291 -9.101 17 H SER 5 H SER 5 -17.871 -15.945 -7.056 18 HA SER 5 HA SER 5 -16.033 -14.955 -5.074 19 HB2 SER 5 1HB SER 5 -18.955 -15.714 -4.837 20 HB3 SER 5 2HB SER 5 -18.017 -14.863 -3.609 21 HG SER 5 HG SER 5 -17.611 -13.400 -5.616 22 H SER 6 H SER 6 -16.286 -15.952 -2.777 23 HA SER 6 HA SER 6 -15.599 -17.652 -1.421 24 HB2 SER 6 1HB SER 6 -17.586 -19.163 -3.134 25 HB3 SER 6 2HB SER 6 -16.926 -19.748 -1.607 26 HG SER 6 HG SER 6 -18.727 -17.653 -2.089 27 H GLY 7 H GLY 7 -13.776 -17.179 -3.401 28 HA2 GLY 7 1HA GLY 7 -12.501 -19.767 -3.600 29 HA3 GLY 7 2HA GLY 7 -12.959 -19.073 -5.149 30 H GLN 8 H GLN 8 -11.034 -18.553 -6.023 31 HA GLN 8 HA GLN 8 -8.976 -17.281 -4.434 32 HB2 GLN 8 1HB GLN 8 -7.700 -17.294 -6.591 33 HB3 GLN 8 2HB GLN 8 -8.224 -18.882 -6.046 34 HG2 GLN 8 1HG GLN 8 -8.472 -18.348 -8.516 35 HG3 GLN 8 2HG GLN 8 -9.869 -19.037 -7.690 36 HE21 GLN 8 1HE2 GLN 8 -8.623 -16.377 -9.427 37 HE22 GLN 8 2HE2 GLN 8 -10.051 -15.405 -9.417 38 H LYS 9 H LYS 9 -11.277 -15.739 -4.499 39 HA LYS 9 HA LYS 9 -10.680 -13.574 -6.388 40 HB2 LYS 9 1HB LYS 9 -12.983 -14.320 -6.430 41 HB3 LYS 9 2HB LYS 9 -13.118 -14.119 -4.688 42 HG2 LYS 9 1HG LYS 9 -14.172 -12.235 -5.485 43 HG3 LYS 9 2HG LYS 9 -12.537 -11.643 -5.177 44 HD2 LYS 9 1HD LYS 9 -12.034 -11.468 -7.407 45 HD3 LYS 9 2HD LYS 9 -13.166 -12.739 -7.873 46 HE2 LYS 9 1HE LYS 9 -14.170 -10.150 -6.757 47 HE3 LYS 9 2HE LYS 9 -13.703 -10.265 -8.453 48 HZ1 LYS 9 3HZ LYS 9 -15.679 -12.054 -7.147 49 HZ2 LYS 9 1HZ LYS 9 -15.311 -11.978 -8.797 50 HZ3 LYS 9 2HZ LYS 9 -16.090 -10.679 -8.043 51 H GLU 10 H GLU 10 -9.975 -11.620 -5.729 52 HA GLU 10 HA GLU 10 -10.280 -10.661 -3.058 53 HB2 GLU 10 1HB GLU 10 -8.306 -12.419 -3.113 54 HB3 GLU 10 2HB GLU 10 -7.408 -11.060 -3.775 55 HG2 GLU 10 1HG GLU 10 -7.111 -11.227 -1.372 56 HG3 GLU 10 2HG GLU 10 -7.936 -9.732 -1.808 57 H LYS 11 H LYS 11 -9.934 -8.484 -2.922 58 HA LYS 11 HA LYS 11 -9.628 -7.071 -5.406 59 HB2 LYS 11 1HB LYS 11 -9.958 -6.083 -2.568 60 HB3 LYS 11 2HB LYS 11 -9.952 -5.044 -3.988 61 HG2 LYS 11 1HG LYS 11 -11.873 -6.661 -4.770 62 HG3 LYS 11 2HG LYS 11 -12.026 -6.947 -3.035 63 HD2 LYS 11 1HD LYS 11 -13.500 -5.180 -3.460 64 HD3 LYS 11 2HD LYS 11 -12.059 -4.395 -2.809 65 HE2 LYS 11 1HE LYS 11 -12.867 -3.163 -4.727 66 HE3 LYS 11 2HE LYS 11 -11.317 -3.911 -5.109 67 HZ1 LYS 11 3HZ LYS 11 -12.367 -5.552 -6.403 68 HZ2 LYS 11 1HZ LYS 11 -13.095 -4.093 -6.856 69 HZ3 LYS 11 2HZ LYS 11 -13.906 -5.159 -5.822 70 H CYS 12 H CYS 12 -7.873 -6.064 -6.182 71 HA CYS 12 HA CYS 12 -5.437 -6.132 -4.538 72 HB2 CYS 12 1HB CYS 12 -5.411 -7.396 -6.691 73 HB3 CYS 12 2HB CYS 12 -5.660 -5.876 -7.543 74 HG CYS 12 HG CYS 12 -3.197 -4.883 -6.163 75 H PHE 13 H PHE 13 -4.189 -4.319 -4.255 76 HA PHE 13 HA PHE 13 -5.383 -1.788 -5.176 77 HB2 PHE 13 1HB PHE 13 -3.690 -2.185 -2.704 78 HB3 PHE 13 2HB PHE 13 -4.579 -0.737 -3.163 79 HD1 PHE 13 HD2 PHE 13 -4.934 -4.227 -2.021 80 HD2 PHE 13 HD1 PHE 13 -6.864 -0.483 -2.635 81 HE1 PHE 13 HE2 PHE 13 -6.880 -5.025 -0.745 82 HE2 PHE 13 HE1 PHE 13 -8.813 -1.275 -1.359 83 HZ PHE 13 HZ PHE 13 -8.824 -3.549 -0.413 84 H LYS 14 H LYS 14 -4.221 -0.745 -6.637 85 HA LYS 14 HA LYS 14 -1.347 -1.297 -6.835 86 HB2 LYS 14 1HB LYS 14 -2.824 -1.618 -8.842 87 HB3 LYS 14 2HB LYS 14 -3.118 0.116 -8.834 88 HG2 LYS 14 1HG LYS 14 -0.667 0.468 -9.086 89 HG3 LYS 14 2HG LYS 14 -0.488 -1.279 -9.271 90 HD2 LYS 14 1HD LYS 14 -2.320 -0.955 -11.122 91 HD3 LYS 14 2HD LYS 14 -1.739 0.712 -11.110 92 HE2 LYS 14 1HE LYS 14 0.494 -0.003 -11.626 93 HE3 LYS 14 2HE LYS 14 0.040 -1.698 -11.448 94 HZ1 LYS 14 3HZ LYS 14 0.148 -1.096 -13.767 95 HZ2 LYS 14 1HZ LYS 14 -0.953 0.168 -13.534 96 HZ3 LYS 14 2HZ LYS 14 -1.455 -1.436 -13.348 97 H CYS 15 H CYS 15 0.165 0.402 -7.054 98 HA CYS 15 HA CYS 15 -0.525 2.749 -5.513 99 HB2 CYS 15 1HB CYS 15 1.697 1.331 -5.497 100 HB3 CYS 15 2HB CYS 15 2.138 2.393 -6.830 101 H ASN 16 H ASN 16 0.593 4.871 -6.357 102 HA ASN 16 HA ASN 16 -0.415 5.296 -9.088 103 HB2 ASN 16 1HB ASN 16 -1.510 6.597 -7.264 104 HB3 ASN 16 2HB ASN 16 0.040 7.358 -6.922 105 HD21 ASN 16 1HD2 ASN 16 -1.829 6.621 -9.850 106 HD22 ASN 16 2HD2 ASN 16 -1.740 8.215 -10.511 107 H LYS 17 H LYS 17 2.088 6.618 -6.914 108 HA LYS 17 HA LYS 17 3.660 7.811 -8.873 109 HB2 LYS 17 1HB LYS 17 4.479 6.609 -6.223 110 HB3 LYS 17 2HB LYS 17 5.517 7.630 -7.210 111 HG2 LYS 17 1HG LYS 17 2.838 8.662 -6.439 112 HG3 LYS 17 2HG LYS 17 4.114 8.614 -5.219 113 HD2 LYS 17 1HD LYS 17 4.330 10.737 -6.161 114 HD3 LYS 17 2HD LYS 17 5.564 9.787 -6.992 115 HE2 LYS 17 1HE LYS 17 4.407 9.771 -8.975 116 HE3 LYS 17 2HE LYS 17 2.841 9.955 -8.187 117 HZ1 LYS 17 3HZ LYS 17 4.513 12.220 -7.746 118 HZ2 LYS 17 1HZ LYS 17 2.953 12.148 -8.398 119 HZ3 LYS 17 2HZ LYS 17 4.299 11.931 -9.399 120 H CYS 18 H CYS 18 4.578 4.812 -7.178 121 HA CYS 18 HA CYS 18 6.349 4.040 -9.288 122 HB2 CYS 18 1HB CYS 18 6.675 1.988 -7.955 123 HB3 CYS 18 2HB CYS 18 6.845 3.442 -6.977 124 H GLU 19 H GLU 19 3.080 3.209 -8.331 125 HA GLU 19 HA GLU 19 1.403 2.199 -9.512 126 HB2 GLU 19 1HB GLU 19 3.330 1.668 -11.763 127 HB3 GLU 19 2HB GLU 19 1.582 1.845 -11.840 128 HG2 GLU 19 1HG GLU 19 1.736 4.195 -11.426 129 HG3 GLU 19 2HG GLU 19 3.467 4.073 -11.116 130 H LYS 20 H LYS 20 2.900 0.787 -7.654 131 HA LYS 20 HA LYS 20 3.282 -1.865 -8.852 132 HB2 LYS 20 1HB LYS 20 4.304 -0.526 -6.387 133 HB3 LYS 20 2HB LYS 20 4.147 -2.278 -6.384 134 HG2 LYS 20 1HG LYS 20 5.671 -2.504 -8.188 135 HG3 LYS 20 2HG LYS 20 5.662 -0.765 -8.495 136 HD2 LYS 20 1HD LYS 20 6.586 -0.500 -6.141 137 HD3 LYS 20 2HD LYS 20 6.865 -2.243 -6.167 138 HE2 LYS 20 1HE LYS 20 8.382 -2.063 -7.977 139 HE3 LYS 20 2HE LYS 20 7.915 -0.393 -8.295 140 HZ1 LYS 20 3HZ LYS 20 10.043 -1.176 -6.814 141 HZ2 LYS 20 1HZ LYS 20 8.894 -0.811 -5.628 142 HZ3 LYS 20 2HZ LYS 20 9.332 0.359 -6.769 143 H THR 21 H THR 21 2.082 -3.612 -8.255 144 HA THR 21 HA THR 21 -0.387 -3.051 -6.823 145 HB THR 21 HB THR 21 -0.992 -5.402 -7.514 146 HG1 THR 21 HG1 THR 21 1.167 -5.289 -9.318 147 HG21 THR 21 3HG2 THR 21 -1.670 -4.741 -9.633 148 HG22 THR 21 1HG2 THR 21 -0.189 -3.833 -9.935 149 HG23 THR 21 2HG2 THR 21 -1.404 -3.194 -8.828 150 H PHE 22 H PHE 22 -1.064 -4.092 -4.967 151 HA PHE 22 HA PHE 22 0.941 -5.752 -3.592 152 HB2 PHE 22 1HB PHE 22 -0.731 -3.520 -2.427 153 HB3 PHE 22 2HB PHE 22 0.170 -4.676 -1.453 154 HD1 PHE 22 HD1 PHE 22 2.674 -4.779 -1.712 155 HD2 PHE 22 HD2 PHE 22 0.311 -1.634 -3.337 156 HE1 PHE 22 HE1 PHE 22 4.681 -3.367 -1.889 157 HE2 PHE 22 HE2 PHE 22 2.314 -0.218 -3.518 158 HZ PHE 22 HZ PHE 22 4.503 -1.083 -2.794 159 H SER 23 H SER 23 -0.113 -6.876 -1.628 160 HA SER 23 HA SER 23 -2.240 -8.489 -2.625 161 HB2 SER 23 1HB SER 23 -0.993 -8.359 0.131 162 HB3 SER 23 2HB SER 23 -2.116 -9.606 -0.409 163 HG SER 23 HG SER 23 0.558 -9.233 -1.025 164 H CYS 24 H CYS 24 -2.012 -6.178 0.074 165 HA CYS 24 HA CYS 24 -4.924 -5.811 -0.118 166 HB2 CYS 24 1HB CYS 24 -5.145 -5.729 2.261 167 HB3 CYS 24 2HB CYS 24 -4.253 -7.196 1.875 168 HG CYS 24 HG CYS 24 -3.364 -5.721 4.248 169 H SER 25 H SER 25 -5.454 -3.777 1.417 170 HA SER 25 HA SER 25 -4.226 -1.561 0.102 171 HB2 SER 25 1HB SER 25 -5.732 -0.186 1.490 172 HB3 SER 25 2HB SER 25 -6.598 -1.517 0.725 173 HG SER 25 HG SER 25 -6.664 -2.584 2.654 174 H LYS 26 H LYS 26 -4.263 -2.688 3.476 175 HA LYS 26 HA LYS 26 -2.827 -0.816 4.776 176 HB2 LYS 26 1HB LYS 26 -3.619 -3.251 5.466 177 HB3 LYS 26 2HB LYS 26 -1.928 -3.634 5.174 178 HG2 LYS 26 1HG LYS 26 -2.507 -1.278 6.870 179 HG3 LYS 26 2HG LYS 26 -2.837 -2.874 7.549 180 HD2 LYS 26 1HD LYS 26 -0.646 -2.575 8.179 181 HD3 LYS 26 2HD LYS 26 -0.438 -3.418 6.642 182 HE2 LYS 26 1HE LYS 26 0.350 -1.562 5.576 183 HE3 LYS 26 2HE LYS 26 -0.585 -0.454 6.579 184 HZ1 LYS 26 3HZ LYS 26 0.970 -1.022 8.425 185 HZ2 LYS 26 1HZ LYS 26 1.686 -0.186 7.140 186 HZ3 LYS 26 2HZ LYS 26 1.927 -1.852 7.304 187 H TYR 27 H TYR 27 -1.200 -3.610 3.261 188 HA TYR 27 HA TYR 27 1.396 -2.790 3.493 189 HB2 TYR 27 1HB TYR 27 0.200 -4.198 1.097 190 HB3 TYR 27 2HB TYR 27 1.903 -4.186 1.543 191 HD1 TYR 27 HD1 TYR 27 1.272 -4.444 4.596 192 HD2 TYR 27 HD2 TYR 27 0.033 -6.610 1.149 193 HE1 TYR 27 HE1 TYR 27 0.923 -6.444 5.985 194 HE2 TYR 27 HE2 TYR 27 -0.320 -8.615 2.529 195 HH TYR 27 HH TYR 27 0.184 -9.556 4.571 196 H LEU 28 H LEU 28 -0.983 -1.735 1.131 197 HA LEU 28 HA LEU 28 0.899 -0.221 -0.423 198 HB2 LEU 28 1HB LEU 28 -1.042 -1.100 -1.515 199 HB3 LEU 28 2HB LEU 28 -2.111 -0.293 -0.369 200 HG LEU 28 HG LEU 28 -1.348 1.891 -1.293 201 HD11 LEU 28 1HD1 LEU 28 0.780 0.689 -2.256 202 HD12 LEU 28 2HD1 LEU 28 0.076 2.085 -3.073 203 HD13 LEU 28 3HD1 LEU 28 -0.259 0.457 -3.663 204 HD21 LEU 28 3HD2 LEU 28 -3.361 0.434 -2.090 205 HD22 LEU 28 1HD2 LEU 28 -2.403 0.261 -3.560 206 HD23 LEU 28 2HD2 LEU 28 -2.886 1.865 -3.007 207 H THR 29 H THR 29 -2.023 0.921 1.263 208 HA THR 29 HA THR 29 -1.660 3.550 1.394 209 HB THR 29 HB THR 29 -3.338 1.988 2.709 210 HG1 THR 29 HG1 THR 29 -3.146 4.455 2.454 211 HG21 THR 29 3HG2 THR 29 -2.969 2.039 5.114 212 HG22 THR 29 1HG2 THR 29 -1.422 2.851 4.879 213 HG23 THR 29 2HG2 THR 29 -1.643 1.195 4.315 214 H GLN 30 H GLN 30 0.070 1.255 3.470 215 HA GLN 30 HA GLN 30 1.518 3.253 4.891 216 HB2 GLN 30 1HB GLN 30 1.088 0.937 5.728 217 HB3 GLN 30 2HB GLN 30 2.233 0.339 4.535 218 HG2 GLN 30 1HG GLN 30 3.832 2.082 5.678 219 HG3 GLN 30 2HG GLN 30 2.719 1.878 7.029 220 HE21 GLN 30 1HE2 GLN 30 4.324 -0.194 4.631 221 HE22 GLN 30 2HE2 GLN 30 4.859 -1.382 5.765 222 H HIS 31 H HIS 31 2.301 1.133 2.158 223 HA HIS 31 HA HIS 31 4.979 1.887 1.851 224 HB2 HIS 31 1HB HIS 31 4.475 0.025 0.596 225 HB3 HIS 31 2HB HIS 31 2.915 0.661 0.081 226 HD1 HIS 31 HD1 HIS 31 6.387 0.272 -0.998 227 HD2 HIS 31 HD2 HIS 31 3.128 2.626 -2.048 228 HE1 HIS 31 HE1 HIS 31 6.943 1.220 -3.260 229 H GLU 32 H GLU 32 2.013 3.275 0.515 230 HA GLU 32 HA GLU 32 2.971 5.051 -1.320 231 HB2 GLU 32 1HB GLU 32 0.760 5.419 0.699 232 HB3 GLU 32 2HB GLU 32 1.071 6.564 -0.598 233 HG2 GLU 32 1HG GLU 32 0.598 4.901 -2.258 234 HG3 GLU 32 2HG GLU 32 0.460 3.649 -1.024 235 H ARG 33 H ARG 33 3.532 5.070 2.066 236 HA ARG 33 HA ARG 33 4.078 7.806 2.465 237 HB2 ARG 33 1HB ARG 33 5.065 5.330 3.882 238 HB3 ARG 33 2HB ARG 33 5.453 6.961 4.416 239 HG2 ARG 33 1HG ARG 33 2.928 7.347 4.479 240 HG3 ARG 33 2HG ARG 33 2.790 5.591 4.368 241 HD2 ARG 33 1HD ARG 33 4.508 5.641 6.345 242 HD3 ARG 33 2HD ARG 33 3.894 7.279 6.567 243 HE ARG 33 HE ARG 33 1.678 5.644 6.374 244 HH11 ARG 33 1HH1 ARG 33 4.445 5.953 8.464 245 HH12 ARG 33 2HH1 ARG 33 3.621 5.348 9.862 246 HH21 ARG 33 1HH2 ARG 33 0.581 4.846 8.208 247 HH22 ARG 33 2HH2 ARG 33 1.423 4.717 9.715 248 H ILE 34 H ILE 34 6.112 5.102 1.446 249 HA ILE 34 HA ILE 34 8.619 6.199 1.565 250 HB ILE 34 HB ILE 34 9.328 4.660 -0.057 251 HG12 ILE 34 1HG1 ILE 34 6.494 4.555 -1.112 252 HG13 ILE 34 2HG1 ILE 34 7.816 5.446 -1.859 253 HG21 ILE 34 1HG2 ILE 34 7.052 2.977 0.539 254 HG22 ILE 34 2HG2 ILE 34 8.724 2.846 1.082 255 HG23 ILE 34 3HG2 ILE 34 7.591 3.876 1.957 256 HD11 ILE 34 3HD1 ILE 34 7.373 3.307 -2.963 257 HD12 ILE 34 1HD1 ILE 34 9.000 3.387 -2.289 258 HD13 ILE 34 2HD1 ILE 34 7.746 2.466 -1.459 259 H HIS 35 H HIS 35 6.029 7.018 -0.602 260 HA HIS 35 HA HIS 35 7.743 8.551 -2.370 261 HB2 HIS 35 1HB HIS 35 4.726 8.343 -2.295 262 HB3 HIS 35 2HB HIS 35 5.681 9.076 -3.580 263 HD1 HIS 35 HD1 HIS 35 7.741 7.019 -4.208 264 HD2 HIS 35 HD2 HIS 35 3.815 6.012 -3.299 265 HE1 HIS 35 HE1 HIS 35 7.382 4.742 -5.212 266 H THR 36 H THR 36 4.998 9.265 -0.210 267 HA THR 36 HA THR 36 5.435 12.094 -0.350 268 HB THR 36 HB THR 36 3.709 12.242 1.415 269 HG1 THR 36 HG1 THR 36 2.688 10.149 1.948 270 HG21 THR 36 3HG2 THR 36 2.086 10.555 -0.052 271 HG22 THR 36 1HG2 THR 36 3.377 10.963 -1.181 272 HG23 THR 36 2HG2 THR 36 2.430 12.244 -0.424 273 H ARG 37 H ARG 37 7.624 12.302 0.310 274 HA ARG 37 HA ARG 37 7.991 12.054 3.222 275 HB2 ARG 37 1HB ARG 37 9.336 10.481 1.591 276 HB3 ARG 37 2HB ARG 37 10.332 11.913 1.368 277 HG2 ARG 37 1HG ARG 37 10.979 11.949 3.624 278 HG3 ARG 37 2HG ARG 37 9.703 10.822 4.090 279 HD2 ARG 37 1HD ARG 37 11.729 9.937 2.096 280 HD3 ARG 37 2HD ARG 37 12.205 10.033 3.792 281 HE ARG 37 HE ARG 37 9.920 8.627 3.919 282 HH11 ARG 37 1HH1 ARG 37 12.761 8.300 1.933 283 HH12 ARG 37 2HH1 ARG 37 12.618 6.580 1.783 284 HH21 ARG 37 1HH2 ARG 37 9.721 6.362 3.728 285 HH22 ARG 37 2HH2 ARG 37 10.887 5.479 2.804 286 H GLY 38 H GLY 38 9.596 13.599 0.427 287 HA2 GLY 38 1HA GLY 38 10.620 15.780 1.852 288 HA3 GLY 38 2HA GLY 38 10.349 15.744 0.116 289 H VAL 39 H VAL 39 7.608 15.509 -0.014 290 HA VAL 39 HA VAL 39 6.779 18.175 0.330 291 HB VAL 39 HB VAL 39 5.790 16.678 -1.351 292 HG11 VAL 39 1HG1 VAL 39 5.635 14.828 0.612 293 HG12 VAL 39 2HG1 VAL 39 3.965 15.394 0.567 294 HG13 VAL 39 3HG1 VAL 39 4.719 14.751 -0.892 295 HG21 VAL 39 3HG2 VAL 39 3.375 17.282 0.167 296 HG22 VAL 39 1HG2 VAL 39 4.523 18.621 0.120 297 HG23 VAL 39 2HG2 VAL 39 3.927 17.916 -1.383 298 H LYS 40 H LYS 40 5.902 19.225 1.995 299 HA LYS 40 HA LYS 40 4.859 17.649 4.254 300 HB2 LYS 40 1HB LYS 40 6.981 18.498 4.961 301 HB3 LYS 40 2HB LYS 40 6.623 20.096 4.320 302 HG2 LYS 40 1HG LYS 40 4.850 20.352 6.005 303 HG3 LYS 40 2HG LYS 40 5.278 18.773 6.668 304 HD2 LYS 40 1HD LYS 40 7.426 20.813 6.366 305 HD3 LYS 40 2HD LYS 40 6.261 21.008 7.678 306 HE2 LYS 40 1HE LYS 40 7.554 18.352 7.265 307 HE3 LYS 40 2HE LYS 40 8.480 19.644 8.028 308 HZ1 LYS 40 3HZ LYS 40 5.789 18.864 8.980 309 HZ2 LYS 40 1HZ LYS 40 6.961 19.777 9.789 310 HZ3 LYS 40 2HZ LYS 40 7.196 18.119 9.552 311 H SER 41 H SER 41 2.712 17.912 3.758 312 HA SER 41 HA SER 41 1.713 20.679 3.618 313 HB2 SER 41 1HB SER 41 1.050 19.555 1.641 314 HB3 SER 41 2HB SER 41 0.615 18.092 2.523 315 HG SER 41 HG SER 41 -1.213 19.030 3.216 316 H GLY 42 H GLY 42 1.195 21.302 5.629 317 HA2 GLY 42 1HA GLY 42 -0.491 21.373 7.314 318 HA3 GLY 42 2HA GLY 42 -0.751 19.650 7.083 319 HA PRO 43 HA PRO 43 2.319 20.714 10.614 320 HB2 PRO 43 1HB PRO 43 0.623 20.728 12.734 321 HB3 PRO 43 2HB PRO 43 1.042 22.188 11.829 322 HG2 PRO 43 1HG PRO 43 -1.392 20.459 11.614 323 HG3 PRO 43 2HG PRO 43 -1.273 22.229 11.614 324 HD2 PRO 43 1HD PRO 43 -1.575 20.790 9.341 325 HD3 PRO 43 2HD PRO 43 -0.666 22.314 9.392 326 H SER 44 H SER 44 -0.595 18.687 10.647 327 HA SER 44 HA SER 44 1.001 16.530 11.866 328 HB2 SER 44 1HB SER 44 -1.061 15.618 12.758 329 HB3 SER 44 2HB SER 44 -0.947 17.317 13.215 330 HG SER 44 HG SER 44 -2.777 16.048 11.619 331 H SER 45 H SER 45 1.280 14.686 10.769 332 HA SER 45 HA SER 45 -0.354 14.239 8.360 333 HB2 SER 45 1HB SER 45 2.601 13.632 8.600 334 HB3 SER 45 2HB SER 45 1.597 13.456 7.161 335 HG SER 45 HG SER 45 2.379 15.845 8.465 336 H GLY 46 H GLY 46 -1.665 12.652 9.130 337 HA2 GLY 46 1HA GLY 46 -2.299 10.647 10.089 338 HA3 GLY 46 2HA GLY 46 -1.003 10.026 9.078 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -4.339 -18.882 -25.023 2 HA2 GLY 1 1HA GLY 1 -6.340 -18.376 -23.909 3 HA3 GLY 1 2HA GLY 1 -7.132 -19.677 -24.786 4 H SER 2 H SER 2 -6.197 -18.726 -21.805 5 HA SER 2 HA SER 2 -6.324 -21.463 -20.795 6 HB2 SER 2 1HB SER 2 -3.922 -20.990 -20.955 7 HB3 SER 2 2HB SER 2 -4.140 -19.514 -20.014 8 HG SER 2 HG SER 2 -5.065 -21.903 -18.910 9 H SER 3 H SER 3 -7.520 -21.639 -18.992 10 HA SER 3 HA SER 3 -7.887 -19.419 -17.185 11 HB2 SER 3 1HB SER 3 -10.242 -19.133 -17.476 12 HB3 SER 3 2HB SER 3 -9.521 -19.021 -19.082 13 HG SER 3 HG SER 3 -11.344 -20.779 -18.148 14 H GLY 4 H GLY 4 -8.940 -20.015 -15.225 15 HA2 GLY 4 1HA GLY 4 -9.696 -22.806 -14.877 16 HA3 GLY 4 2HA GLY 4 -8.273 -22.278 -13.992 17 H SER 5 H SER 5 -8.857 -22.132 -11.924 18 HA SER 5 HA SER 5 -11.170 -20.441 -11.277 19 HB2 SER 5 1HB SER 5 -10.514 -23.090 -9.965 20 HB3 SER 5 2HB SER 5 -11.774 -21.976 -9.433 21 HG SER 5 HG SER 5 -12.516 -23.706 -10.815 22 H SER 6 H SER 6 -9.849 -18.724 -10.723 23 HA SER 6 HA SER 6 -8.126 -19.155 -8.371 24 HB2 SER 6 1HB SER 6 -6.883 -18.517 -10.442 25 HB3 SER 6 2HB SER 6 -7.797 -17.009 -10.481 26 HG SER 6 HG SER 6 -5.785 -17.835 -8.727 27 H GLY 7 H GLY 7 -10.002 -18.795 -7.038 28 HA2 GLY 7 1HA GLY 7 -11.326 -17.488 -5.694 29 HA3 GLY 7 2HA GLY 7 -10.200 -16.186 -6.048 30 H GLN 8 H GLN 8 -12.876 -15.670 -5.654 31 HA GLN 8 HA GLN 8 -13.895 -15.155 -8.366 32 HB2 GLN 8 1HB GLN 8 -15.293 -15.448 -5.715 33 HB3 GLN 8 2HB GLN 8 -16.084 -14.722 -7.107 34 HG2 GLN 8 1HG GLN 8 -16.736 -16.994 -7.031 35 HG3 GLN 8 2HG GLN 8 -15.603 -16.821 -8.371 36 HE21 GLN 8 1HE2 GLN 8 -15.725 -17.676 -4.938 37 HE22 GLN 8 2HE2 GLN 8 -14.496 -18.888 -5.017 38 H LYS 9 H LYS 9 -13.657 -13.669 -5.141 39 HA LYS 9 HA LYS 9 -14.466 -11.098 -5.847 40 HB2 LYS 9 1HB LYS 9 -14.085 -12.029 -3.516 41 HB3 LYS 9 2HB LYS 9 -12.371 -11.723 -3.766 42 HG2 LYS 9 1HG LYS 9 -12.956 -9.809 -2.688 43 HG3 LYS 9 2HG LYS 9 -13.236 -9.306 -4.357 44 HD2 LYS 9 1HD LYS 9 -15.620 -9.899 -4.100 45 HD3 LYS 9 2HD LYS 9 -15.314 -10.310 -2.411 46 HE2 LYS 9 1HE LYS 9 -14.631 -7.605 -3.516 47 HE3 LYS 9 2HE LYS 9 -16.258 -7.980 -2.949 48 HZ1 LYS 9 3HZ LYS 9 -13.941 -8.525 -1.217 49 HZ2 LYS 9 1HZ LYS 9 -15.547 -8.210 -0.787 50 HZ3 LYS 9 2HZ LYS 9 -14.555 -6.952 -1.327 51 H GLU 10 H GLU 10 -13.559 -9.508 -6.983 52 HA GLU 10 HA GLU 10 -10.755 -9.829 -7.807 53 HB2 GLU 10 1HB GLU 10 -12.961 -8.204 -9.084 54 HB3 GLU 10 2HB GLU 10 -11.319 -8.352 -9.692 55 HG2 GLU 10 1HG GLU 10 -13.149 -10.705 -9.331 56 HG3 GLU 10 2HG GLU 10 -13.052 -9.776 -10.825 57 H LYS 11 H LYS 11 -9.402 -8.671 -6.609 58 HA LYS 11 HA LYS 11 -9.692 -5.832 -6.405 59 HB2 LYS 11 1HB LYS 11 -11.139 -6.395 -4.559 60 HB3 LYS 11 2HB LYS 11 -9.949 -7.514 -3.908 61 HG2 LYS 11 1HG LYS 11 -8.456 -5.332 -3.862 62 HG3 LYS 11 2HG LYS 11 -10.038 -4.553 -3.788 63 HD2 LYS 11 1HD LYS 11 -9.336 -6.826 -1.959 64 HD3 LYS 11 2HD LYS 11 -8.870 -5.167 -1.576 65 HE2 LYS 11 1HE LYS 11 -11.696 -5.745 -2.333 66 HE3 LYS 11 2HE LYS 11 -11.141 -6.167 -0.714 67 HZ1 LYS 11 3HZ LYS 11 -11.871 -4.040 -0.395 68 HZ2 LYS 11 1HZ LYS 11 -11.435 -3.520 -1.945 69 HZ3 LYS 11 2HZ LYS 11 -10.248 -3.735 -0.760 70 H CYS 12 H CYS 12 -7.722 -4.969 -6.490 71 HA CYS 12 HA CYS 12 -5.469 -6.384 -5.277 72 HB2 CYS 12 1HB CYS 12 -5.719 -5.636 -8.180 73 HB3 CYS 12 2HB CYS 12 -4.142 -5.775 -7.413 74 HG CYS 12 HG CYS 12 -4.292 -8.445 -6.871 75 H PHE 13 H PHE 13 -4.685 -4.958 -3.878 76 HA PHE 13 HA PHE 13 -5.037 -2.153 -4.114 77 HB2 PHE 13 1HB PHE 13 -3.060 -3.602 -2.345 78 HB3 PHE 13 2HB PHE 13 -3.713 -1.985 -2.105 79 HD1 PHE 13 HD1 PHE 13 -6.311 -1.848 -1.877 80 HD2 PHE 13 HD2 PHE 13 -4.020 -5.378 -1.241 81 HE1 PHE 13 HE1 PHE 13 -8.138 -2.785 -0.522 82 HE2 PHE 13 HE2 PHE 13 -5.843 -6.321 0.114 83 HZ PHE 13 HZ PHE 13 -7.906 -5.025 0.475 84 H LYS 14 H LYS 14 -4.138 -1.270 -5.914 85 HA LYS 14 HA LYS 14 -1.251 -1.670 -6.327 86 HB2 LYS 14 1HB LYS 14 -2.774 -2.277 -8.216 87 HB3 LYS 14 2HB LYS 14 -3.276 -0.593 -8.296 88 HG2 LYS 14 1HG LYS 14 -0.792 -0.065 -8.615 89 HG3 LYS 14 2HG LYS 14 -0.609 -1.788 -8.952 90 HD2 LYS 14 1HD LYS 14 -2.634 -1.327 -10.583 91 HD3 LYS 14 2HD LYS 14 -2.009 0.323 -10.519 92 HE2 LYS 14 1HE LYS 14 -0.895 -0.606 -12.337 93 HE3 LYS 14 2HE LYS 14 0.274 -0.752 -11.026 94 HZ1 LYS 14 3HZ LYS 14 0.343 -2.839 -11.923 95 HZ2 LYS 14 1HZ LYS 14 -1.291 -2.845 -12.361 96 HZ3 LYS 14 2HZ LYS 14 -0.847 -3.071 -10.744 97 H CYS 15 H CYS 15 0.090 0.125 -6.703 98 HA CYS 15 HA CYS 15 -0.745 2.513 -5.310 99 HB2 CYS 15 1HB CYS 15 1.602 1.288 -5.336 100 HB3 CYS 15 2HB CYS 15 1.877 2.328 -6.729 101 H ASN 16 H ASN 16 0.253 4.636 -6.400 102 HA ASN 16 HA ASN 16 -0.954 4.777 -9.082 103 HB2 ASN 16 1HB ASN 16 -1.987 6.125 -7.181 104 HB3 ASN 16 2HB ASN 16 -0.526 7.108 -7.214 105 HD21 ASN 16 1HD2 ASN 16 -1.393 8.981 -7.919 106 HD22 ASN 16 2HD2 ASN 16 -2.138 9.184 -9.465 107 H LYS 17 H LYS 17 1.566 6.373 -7.124 108 HA LYS 17 HA LYS 17 2.936 7.557 -9.252 109 HB2 LYS 17 1HB LYS 17 3.650 6.814 -6.449 110 HB3 LYS 17 2HB LYS 17 4.939 7.299 -7.543 111 HG2 LYS 17 1HG LYS 17 4.339 9.268 -6.465 112 HG3 LYS 17 2HG LYS 17 3.505 9.365 -8.018 113 HD2 LYS 17 1HD LYS 17 1.508 8.324 -6.793 114 HD3 LYS 17 2HD LYS 17 2.367 8.743 -5.308 115 HE2 LYS 17 1HE LYS 17 1.837 10.768 -7.462 116 HE3 LYS 17 2HE LYS 17 0.651 10.416 -6.207 117 HZ1 LYS 17 3HZ LYS 17 2.465 10.920 -4.571 118 HZ2 LYS 17 1HZ LYS 17 1.908 12.246 -5.461 119 HZ3 LYS 17 2HZ LYS 17 3.380 11.516 -5.863 120 H CYS 18 H CYS 18 4.099 4.742 -7.394 121 HA CYS 18 HA CYS 18 5.853 3.950 -9.519 122 HB2 CYS 18 1HB CYS 18 6.416 2.057 -8.059 123 HB3 CYS 18 2HB CYS 18 6.464 3.579 -7.175 124 H GLU 19 H GLU 19 2.711 2.939 -8.324 125 HA GLU 19 HA GLU 19 1.070 1.692 -9.306 126 HB2 GLU 19 1HB GLU 19 2.872 1.293 -11.687 127 HB3 GLU 19 2HB GLU 19 1.116 1.234 -11.632 128 HG2 GLU 19 1HG GLU 19 2.468 3.773 -10.893 129 HG3 GLU 19 2HG GLU 19 2.397 3.317 -12.594 130 H LYS 20 H LYS 20 2.763 0.496 -7.513 131 HA LYS 20 HA LYS 20 3.391 -2.133 -8.655 132 HB2 LYS 20 1HB LYS 20 4.341 -0.624 -6.258 133 HB3 LYS 20 2HB LYS 20 4.393 -2.381 -6.223 134 HG2 LYS 20 1HG LYS 20 5.588 -2.066 -8.542 135 HG3 LYS 20 2HG LYS 20 5.943 -0.466 -7.887 136 HD2 LYS 20 1HD LYS 20 7.150 -1.357 -6.077 137 HD3 LYS 20 2HD LYS 20 6.491 -2.975 -6.327 138 HE2 LYS 20 1HE LYS 20 8.592 -3.219 -7.221 139 HE3 LYS 20 2HE LYS 20 7.673 -2.763 -8.654 140 HZ1 LYS 20 3HZ LYS 20 8.613 -0.697 -8.715 141 HZ2 LYS 20 1HZ LYS 20 9.906 -1.578 -8.070 142 HZ3 LYS 20 2HZ LYS 20 8.925 -0.649 -7.053 143 H THR 21 H THR 21 2.235 -3.894 -8.164 144 HA THR 21 HA THR 21 -0.193 -3.604 -6.660 145 HB THR 21 HB THR 21 -0.497 -6.045 -7.168 146 HG1 THR 21 HG1 THR 21 1.204 -6.505 -9.022 147 HG21 THR 21 3HG2 THR 21 -0.979 -3.943 -8.730 148 HG22 THR 21 1HG2 THR 21 -1.281 -5.596 -9.265 149 HG23 THR 21 2HG2 THR 21 0.195 -4.765 -9.757 150 H PHE 22 H PHE 22 -0.723 -4.470 -4.694 151 HA PHE 22 HA PHE 22 1.461 -5.749 -3.186 152 HB2 PHE 22 1HB PHE 22 -0.553 -3.709 -2.226 153 HB3 PHE 22 2HB PHE 22 0.493 -4.632 -1.151 154 HD1 PHE 22 HD2 PHE 22 0.506 -2.187 -3.930 155 HD2 PHE 22 HD1 PHE 22 2.692 -3.952 -0.733 156 HE1 PHE 22 HE2 PHE 22 2.275 -0.501 -4.214 157 HE2 PHE 22 HE1 PHE 22 4.465 -2.268 -1.011 158 HZ PHE 22 HZ PHE 22 4.258 -0.540 -2.754 159 H SER 23 H SER 23 0.281 -6.559 -0.959 160 HA SER 23 HA SER 23 -1.690 -8.500 -1.922 161 HB2 SER 23 1HB SER 23 0.387 -9.318 -0.793 162 HB3 SER 23 2HB SER 23 -0.148 -8.514 0.683 163 HG SER 23 HG SER 23 -2.164 -9.848 0.267 164 H CYS 24 H CYS 24 -1.116 -6.514 0.986 165 HA CYS 24 HA CYS 24 -4.020 -6.496 1.446 166 HB2 CYS 24 1HB CYS 24 -2.283 -7.327 3.217 167 HB3 CYS 24 2HB CYS 24 -2.019 -5.610 3.495 168 HG CYS 24 HG CYS 24 -3.710 -6.198 5.492 169 H SER 25 H SER 25 -4.724 -4.420 2.667 170 HA SER 25 HA SER 25 -4.001 -2.193 0.954 171 HB2 SER 25 1HB SER 25 -5.865 -1.044 2.304 172 HB3 SER 25 2HB SER 25 -6.333 -2.387 1.262 173 HG SER 25 HG SER 25 -5.631 -2.973 3.897 174 H LYS 26 H LYS 26 -3.229 -3.365 4.062 175 HA LYS 26 HA LYS 26 -2.557 -0.828 5.235 176 HB2 LYS 26 1HB LYS 26 -1.693 -2.117 7.088 177 HB3 LYS 26 2HB LYS 26 -3.241 -2.789 6.591 178 HG2 LYS 26 1HG LYS 26 -2.064 -4.713 6.817 179 HG3 LYS 26 2HG LYS 26 -1.681 -4.351 5.132 180 HD2 LYS 26 1HD LYS 26 0.397 -4.841 6.060 181 HD3 LYS 26 2HD LYS 26 0.344 -3.077 6.100 182 HE2 LYS 26 1HE LYS 26 1.175 -3.818 8.207 183 HE3 LYS 26 2HE LYS 26 -0.472 -3.242 8.460 184 HZ1 LYS 26 3HZ LYS 26 0.038 -5.363 9.596 185 HZ2 LYS 26 1HZ LYS 26 0.248 -6.097 8.087 186 HZ3 LYS 26 2HZ LYS 26 -1.264 -5.477 8.522 187 H TYR 27 H TYR 27 -0.823 -3.437 3.619 188 HA TYR 27 HA TYR 27 1.785 -2.465 4.127 189 HB2 TYR 27 1HB TYR 27 0.631 -4.370 2.109 190 HB3 TYR 27 2HB TYR 27 2.327 -3.906 2.046 191 HD1 TYR 27 HD1 TYR 27 3.427 -3.995 4.570 192 HD2 TYR 27 HD2 TYR 27 0.239 -6.403 3.106 193 HE1 TYR 27 HE1 TYR 27 3.962 -5.713 6.247 194 HE2 TYR 27 HE2 TYR 27 0.765 -8.127 4.779 195 HH TYR 27 HH TYR 27 2.768 -7.580 7.416 196 H LEU 28 H LEU 28 -0.578 -1.826 1.616 197 HA LEU 28 HA LEU 28 1.231 -0.361 -0.059 198 HB2 LEU 28 1HB LEU 28 -0.655 -1.450 -1.062 199 HB3 LEU 28 2HB LEU 28 -1.772 -0.579 -0.013 200 HG LEU 28 HG LEU 28 -1.133 1.526 -1.156 201 HD11 LEU 28 1HD1 LEU 28 0.258 1.591 -3.018 202 HD12 LEU 28 2HD1 LEU 28 0.192 -0.155 -3.251 203 HD13 LEU 28 3HD1 LEU 28 1.111 0.519 -1.906 204 HD21 LEU 28 3HD2 LEU 28 -3.133 0.513 -1.894 205 HD22 LEU 28 1HD2 LEU 28 -2.263 -0.744 -2.773 206 HD23 LEU 28 2HD2 LEU 28 -2.233 0.920 -3.355 207 H THR 29 H THR 29 -1.402 0.524 2.159 208 HA THR 29 HA THR 29 -1.498 3.228 1.880 209 HB THR 29 HB THR 29 -1.547 1.737 4.511 210 HG1 THR 29 HG1 THR 29 -3.818 2.619 3.090 211 HG21 THR 29 3HG2 THR 29 -3.219 3.834 4.834 212 HG22 THR 29 1HG2 THR 29 -2.003 4.560 3.783 213 HG23 THR 29 2HG2 THR 29 -1.525 3.849 5.325 214 H GLN 30 H GLN 30 0.612 1.605 4.261 215 HA GLN 30 HA GLN 30 2.060 3.882 4.985 216 HB2 GLN 30 1HB GLN 30 2.136 1.902 6.353 217 HB3 GLN 30 2HB GLN 30 2.837 0.964 5.040 218 HG2 GLN 30 1HG GLN 30 4.825 2.483 5.140 219 HG3 GLN 30 2HG GLN 30 4.132 3.180 6.603 220 HE21 GLN 30 1HE2 GLN 30 5.142 2.441 8.318 221 HE22 GLN 30 2HE2 GLN 30 5.655 0.813 8.580 222 H HIS 31 H HIS 31 2.800 1.385 2.569 223 HA HIS 31 HA HIS 31 5.287 2.213 1.743 224 HB2 HIS 31 1HB HIS 31 4.610 0.253 0.725 225 HB3 HIS 31 2HB HIS 31 3.005 0.875 0.354 226 HD1 HIS 31 HD1 HIS 31 6.267 0.271 -1.132 227 HD2 HIS 31 HD2 HIS 31 3.029 2.761 -1.890 228 HE1 HIS 31 HE1 HIS 31 6.570 1.065 -3.498 229 H GLU 32 H GLU 32 2.176 3.252 0.338 230 HA GLU 32 HA GLU 32 2.905 4.986 -1.571 231 HB2 GLU 32 1HB GLU 32 0.804 5.413 0.554 232 HB3 GLU 32 2HB GLU 32 0.966 6.444 -0.860 233 HG2 GLU 32 1HG GLU 32 0.615 4.471 -2.298 234 HG3 GLU 32 2HG GLU 32 0.355 3.498 -0.851 235 H ARG 33 H ARG 33 3.228 5.541 1.885 236 HA ARG 33 HA ARG 33 3.765 8.228 2.000 237 HB2 ARG 33 1HB ARG 33 5.147 6.015 3.527 238 HB3 ARG 33 2HB ARG 33 5.192 7.719 3.962 239 HG2 ARG 33 1HG ARG 33 2.761 7.695 4.271 240 HG3 ARG 33 2HG ARG 33 2.737 5.978 3.864 241 HD2 ARG 33 1HD ARG 33 2.687 6.323 6.283 242 HD3 ARG 33 2HD ARG 33 4.159 5.492 5.782 243 HE ARG 33 HE ARG 33 4.964 8.043 5.834 244 HH11 ARG 33 1HH1 ARG 33 3.170 6.138 8.131 245 HH12 ARG 33 2HH1 ARG 33 3.769 7.000 9.510 246 HH21 ARG 33 1HH2 ARG 33 5.759 9.184 7.642 247 HH22 ARG 33 2HH2 ARG 33 5.241 8.733 9.230 248 H ILE 34 H ILE 34 6.070 5.620 1.280 249 HA ILE 34 HA ILE 34 8.449 6.829 1.124 250 HB ILE 34 HB ILE 34 9.128 5.352 -0.600 251 HG12 ILE 34 1HG1 ILE 34 6.212 5.000 -1.327 252 HG13 ILE 34 2HG1 ILE 34 7.359 5.989 -2.225 253 HG21 ILE 34 1HG2 ILE 34 7.566 4.480 1.575 254 HG22 ILE 34 2HG2 ILE 34 7.153 3.451 0.205 255 HG23 ILE 34 3HG2 ILE 34 8.832 3.596 0.723 256 HD11 ILE 34 3HD1 ILE 34 8.307 4.214 -3.217 257 HD12 ILE 34 1HD1 ILE 34 8.166 3.198 -1.782 258 HD13 ILE 34 2HD1 ILE 34 6.769 3.442 -2.831 259 H HIS 35 H HIS 35 5.749 7.462 -0.998 260 HA HIS 35 HA HIS 35 7.316 9.109 -2.793 261 HB2 HIS 35 1HB HIS 35 4.311 8.795 -2.670 262 HB3 HIS 35 2HB HIS 35 5.255 9.442 -4.009 263 HD1 HIS 35 HD1 HIS 35 7.156 7.503 -4.857 264 HD2 HIS 35 HD2 HIS 35 3.586 6.247 -3.144 265 HE1 HIS 35 HE1 HIS 35 6.853 5.122 -5.604 266 H THR 36 H THR 36 4.324 9.804 -0.982 267 HA THR 36 HA THR 36 4.959 12.612 -0.893 268 HB THR 36 HB THR 36 2.632 11.907 -1.150 269 HG1 THR 36 HG1 THR 36 3.459 13.792 0.340 270 HG21 THR 36 3HG2 THR 36 1.600 10.404 0.159 271 HG22 THR 36 1HG2 THR 36 2.242 11.116 1.638 272 HG23 THR 36 2HG2 THR 36 3.219 9.978 0.711 273 H ARG 37 H ARG 37 6.968 11.198 0.371 274 HA ARG 37 HA ARG 37 6.570 11.109 3.204 275 HB2 ARG 37 1HB ARG 37 9.016 10.744 3.298 276 HB3 ARG 37 2HB ARG 37 8.211 9.653 2.179 277 HG2 ARG 37 1HG ARG 37 8.877 11.217 0.332 278 HG3 ARG 37 2HG ARG 37 9.867 12.072 1.517 279 HD2 ARG 37 1HD ARG 37 11.330 10.297 1.767 280 HD3 ARG 37 2HD ARG 37 10.154 9.116 1.191 281 HE ARG 37 HE ARG 37 10.824 9.539 -0.963 282 HH11 ARG 37 1HH1 ARG 37 12.087 12.000 1.151 283 HH12 ARG 37 2HH1 ARG 37 13.116 12.694 -0.057 284 HH21 ARG 37 1HH2 ARG 37 12.174 10.444 -2.563 285 HH22 ARG 37 2HH2 ARG 37 13.164 11.809 -2.170 286 H GLY 38 H GLY 38 8.090 13.381 0.951 287 HA2 GLY 38 1HA GLY 38 8.982 15.159 3.016 288 HA3 GLY 38 2HA GLY 38 8.963 15.491 1.291 289 H VAL 39 H VAL 39 8.223 17.617 1.732 290 HA VAL 39 HA VAL 39 5.495 17.825 2.794 291 HB VAL 39 HB VAL 39 5.907 20.247 2.920 292 HG11 VAL 39 1HG1 VAL 39 6.486 18.689 4.791 293 HG12 VAL 39 2HG1 VAL 39 8.157 18.725 4.224 294 HG13 VAL 39 3HG1 VAL 39 7.386 20.205 4.793 295 HG21 VAL 39 3HG2 VAL 39 7.440 21.104 1.545 296 HG22 VAL 39 1HG2 VAL 39 8.653 20.508 2.680 297 HG23 VAL 39 2HG2 VAL 39 8.194 19.531 1.285 298 H LYS 40 H LYS 40 4.140 19.573 1.706 299 HA LYS 40 HA LYS 40 3.223 18.896 -0.702 300 HB2 LYS 40 1HB LYS 40 2.247 20.701 0.636 301 HB3 LYS 40 2HB LYS 40 3.593 21.753 0.218 302 HG2 LYS 40 1HG LYS 40 2.065 22.486 -1.291 303 HG3 LYS 40 2HG LYS 40 2.803 21.194 -2.240 304 HD2 LYS 40 1HD LYS 40 1.000 19.669 -1.425 305 HD3 LYS 40 2HD LYS 40 0.229 21.067 -0.673 306 HE2 LYS 40 1HE LYS 40 0.853 20.807 -3.613 307 HE3 LYS 40 2HE LYS 40 -0.724 20.500 -2.886 308 HZ1 LYS 40 3HZ LYS 40 0.144 23.017 -2.039 309 HZ2 LYS 40 1HZ LYS 40 -1.165 22.648 -3.044 310 HZ3 LYS 40 2HZ LYS 40 0.358 22.947 -3.715 311 H SER 41 H SER 41 3.603 19.301 -2.873 312 HA SER 41 HA SER 41 6.342 19.585 -3.616 313 HB2 SER 41 1HB SER 41 3.776 19.281 -5.160 314 HB3 SER 41 2HB SER 41 5.304 19.587 -5.985 315 HG SER 41 HG SER 41 6.029 17.648 -5.409 316 H GLY 42 H GLY 42 6.901 21.670 -2.838 317 HA2 GLY 42 1HA GLY 42 6.730 23.721 -4.766 318 HA3 GLY 42 2HA GLY 42 5.585 24.054 -3.475 319 HA PRO 43 HA PRO 43 9.929 24.079 -1.363 320 HB2 PRO 43 1HB PRO 43 12.091 23.824 -2.986 321 HB3 PRO 43 2HB PRO 43 11.279 22.441 -2.243 322 HG2 PRO 43 1HG PRO 43 11.011 23.528 -5.019 323 HG3 PRO 43 2HG PRO 43 11.132 21.842 -4.485 324 HD2 PRO 43 1HD PRO 43 8.773 22.995 -5.143 325 HD3 PRO 43 2HD PRO 43 8.906 21.735 -3.899 326 H SER 44 H SER 44 9.733 26.222 -0.948 327 HA SER 44 HA SER 44 9.990 28.478 -1.118 328 HB2 SER 44 1HB SER 44 12.386 27.696 -1.266 329 HB3 SER 44 2HB SER 44 12.251 27.829 -3.019 330 HG SER 44 HG SER 44 11.625 29.995 -1.320 331 H SER 45 H SER 45 7.968 27.621 -2.671 332 HA SER 45 HA SER 45 6.820 27.890 -4.662 333 HB2 SER 45 1HB SER 45 6.346 30.236 -5.062 334 HB3 SER 45 2HB SER 45 6.475 29.967 -3.324 335 HG SER 45 HG SER 45 8.865 30.601 -4.476 336 H GLY 46 H GLY 46 9.282 26.858 -5.312 337 HA2 GLY 46 1HA GLY 46 9.879 28.314 -7.810 338 HA3 GLY 46 2HA GLY 46 11.167 27.654 -6.814 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -28.357 -15.900 -7.426 2 HA2 GLY 1 1HA GLY 1 -27.938 -13.076 -7.137 3 HA3 GLY 1 2HA GLY 1 -29.393 -13.445 -8.051 4 H SER 2 H SER 2 -27.858 -14.871 -5.166 5 HA SER 2 HA SER 2 -30.324 -14.307 -3.672 6 HB2 SER 2 1HB SER 2 -28.950 -16.958 -4.013 7 HB3 SER 2 2HB SER 2 -29.891 -16.619 -2.561 8 HG SER 2 HG SER 2 -30.873 -17.552 -4.697 9 H SER 3 H SER 3 -30.069 -14.131 -1.403 10 HA SER 3 HA SER 3 -28.058 -12.648 -0.426 11 HB2 SER 3 1HB SER 3 -30.134 -13.349 0.817 12 HB3 SER 3 2HB SER 3 -29.315 -14.861 1.209 13 HG SER 3 HG SER 3 -28.964 -12.341 2.253 14 H GLY 4 H GLY 4 -26.099 -12.949 0.678 15 HA2 GLY 4 1HA GLY 4 -24.605 -14.777 1.632 16 HA3 GLY 4 2HA GLY 4 -24.776 -15.510 0.044 17 H SER 5 H SER 5 -23.686 -14.634 -1.717 18 HA SER 5 HA SER 5 -22.024 -13.539 -2.822 19 HB2 SER 5 1HB SER 5 -23.336 -11.537 -1.703 20 HB3 SER 5 2HB SER 5 -21.873 -11.406 -0.728 21 HG SER 5 HG SER 5 -22.016 -10.195 -2.821 22 H SER 6 H SER 6 -21.310 -15.582 -1.094 23 HA SER 6 HA SER 6 -18.927 -14.643 0.323 24 HB2 SER 6 1HB SER 6 -20.602 -16.260 1.372 25 HB3 SER 6 2HB SER 6 -19.977 -17.473 0.255 26 HG SER 6 HG SER 6 -17.979 -17.304 1.209 27 H GLY 7 H GLY 7 -18.768 -14.430 -2.438 28 HA2 GLY 7 1HA GLY 7 -17.125 -16.724 -3.270 29 HA3 GLY 7 2HA GLY 7 -17.830 -15.530 -4.349 30 H GLN 8 H GLN 8 -15.693 -15.377 -5.286 31 HA GLN 8 HA GLN 8 -13.720 -13.987 -3.621 32 HB2 GLN 8 1HB GLN 8 -12.094 -14.543 -5.313 33 HB3 GLN 8 2HB GLN 8 -12.994 -15.994 -4.895 34 HG2 GLN 8 1HG GLN 8 -14.455 -15.444 -6.921 35 HG3 GLN 8 2HG GLN 8 -13.164 -14.336 -7.381 36 HE21 GLN 8 1HE2 GLN 8 -13.313 -15.911 -9.258 37 HE22 GLN 8 2HE2 GLN 8 -12.261 -17.280 -9.192 38 H LYS 9 H LYS 9 -12.691 -12.074 -4.378 39 HA LYS 9 HA LYS 9 -14.330 -10.541 -6.289 40 HB2 LYS 9 1HB LYS 9 -12.901 -9.666 -3.784 41 HB3 LYS 9 2HB LYS 9 -13.436 -8.520 -5.007 42 HG2 LYS 9 1HG LYS 9 -15.668 -8.876 -4.558 43 HG3 LYS 9 2HG LYS 9 -15.380 -10.471 -3.857 44 HD2 LYS 9 1HD LYS 9 -15.812 -9.212 -1.974 45 HD3 LYS 9 2HD LYS 9 -14.051 -9.121 -2.058 46 HE2 LYS 9 1HE LYS 9 -14.630 -6.914 -1.707 47 HE3 LYS 9 2HE LYS 9 -14.494 -6.980 -3.463 48 HZ1 LYS 9 3HZ LYS 9 -16.736 -6.306 -1.892 49 HZ2 LYS 9 1HZ LYS 9 -17.107 -7.663 -2.832 50 HZ3 LYS 9 2HZ LYS 9 -16.564 -6.243 -3.574 51 H GLU 10 H GLU 10 -11.084 -11.276 -5.161 52 HA GLU 10 HA GLU 10 -9.036 -11.049 -6.126 53 HB2 GLU 10 1HB GLU 10 -10.767 -10.889 -8.592 54 HB3 GLU 10 2HB GLU 10 -9.010 -10.896 -8.658 55 HG2 GLU 10 1HG GLU 10 -9.152 -13.070 -7.323 56 HG3 GLU 10 2HG GLU 10 -10.858 -13.076 -7.766 57 H LYS 11 H LYS 11 -10.017 -8.778 -4.930 58 HA LYS 11 HA LYS 11 -9.545 -6.547 -6.744 59 HB2 LYS 11 1HB LYS 11 -10.198 -5.136 -4.848 60 HB3 LYS 11 2HB LYS 11 -11.404 -6.376 -5.167 61 HG2 LYS 11 1HG LYS 11 -10.304 -7.729 -3.336 62 HG3 LYS 11 2HG LYS 11 -9.405 -6.266 -2.929 63 HD2 LYS 11 1HD LYS 11 -11.725 -5.135 -2.851 64 HD3 LYS 11 2HD LYS 11 -12.355 -6.782 -2.755 65 HE2 LYS 11 1HE LYS 11 -11.406 -7.164 -0.686 66 HE3 LYS 11 2HE LYS 11 -10.163 -5.935 -0.913 67 HZ1 LYS 11 3HZ LYS 11 -11.917 -4.240 -0.717 68 HZ2 LYS 11 1HZ LYS 11 -11.763 -5.176 0.684 69 HZ3 LYS 11 2HZ LYS 11 -13.045 -5.455 -0.382 70 H CYS 12 H CYS 12 -7.591 -5.716 -7.023 71 HA CYS 12 HA CYS 12 -5.586 -6.096 -4.899 72 HB2 CYS 12 1HB CYS 12 -5.283 -5.967 -7.898 73 HB3 CYS 12 2HB CYS 12 -3.917 -5.791 -6.803 74 HG CYS 12 HG CYS 12 -4.748 -8.391 -5.588 75 H PHE 13 H PHE 13 -4.346 -4.374 -4.245 76 HA PHE 13 HA PHE 13 -5.355 -1.743 -5.034 77 HB2 PHE 13 1HB PHE 13 -3.720 -2.657 -2.664 78 HB3 PHE 13 2HB PHE 13 -4.084 -0.967 -2.996 79 HD1 PHE 13 HD1 PHE 13 -6.435 -0.180 -2.929 80 HD2 PHE 13 HD2 PHE 13 -5.319 -4.093 -1.683 81 HE1 PHE 13 HE1 PHE 13 -8.572 -0.404 -1.731 82 HE2 PHE 13 HE2 PHE 13 -7.454 -4.324 -0.484 83 HZ PHE 13 HZ PHE 13 -9.085 -2.478 -0.507 84 H LYS 14 H LYS 14 -4.288 -0.795 -6.637 85 HA LYS 14 HA LYS 14 -1.394 -1.227 -6.883 86 HB2 LYS 14 1HB LYS 14 -3.050 -1.644 -8.819 87 HB3 LYS 14 2HB LYS 14 -3.134 0.108 -8.942 88 HG2 LYS 14 1HG LYS 14 -0.731 0.207 -9.334 89 HG3 LYS 14 2HG LYS 14 -0.630 -1.549 -9.187 90 HD2 LYS 14 1HD LYS 14 -0.766 -1.361 -11.460 91 HD3 LYS 14 2HD LYS 14 -2.485 -1.454 -11.070 92 HE2 LYS 14 1HE LYS 14 -1.137 1.209 -11.163 93 HE3 LYS 14 2HE LYS 14 -1.579 0.410 -12.672 94 HZ1 LYS 14 3HZ LYS 14 -3.394 1.756 -12.108 95 HZ2 LYS 14 1HZ LYS 14 -3.365 1.288 -10.482 96 HZ3 LYS 14 2HZ LYS 14 -3.871 0.194 -11.668 97 H CYS 15 H CYS 15 0.049 0.467 -6.949 98 HA CYS 15 HA CYS 15 -0.800 2.887 -5.638 99 HB2 CYS 15 1HB CYS 15 1.428 1.600 -5.323 100 HB3 CYS 15 2HB CYS 15 1.941 2.435 -6.786 101 H ASN 16 H ASN 16 -0.735 4.975 -6.458 102 HA ASN 16 HA ASN 16 -0.969 5.137 -9.367 103 HB2 ASN 16 1HB ASN 16 -2.149 7.180 -9.041 104 HB3 ASN 16 2HB ASN 16 -2.750 6.064 -7.818 105 HD21 ASN 16 1HD2 ASN 16 -2.628 6.623 -5.740 106 HD22 ASN 16 2HD2 ASN 16 -1.838 8.038 -5.139 107 H LYS 17 H LYS 17 1.609 4.973 -7.832 108 HA LYS 17 HA LYS 17 2.866 7.324 -9.064 109 HB2 LYS 17 1HB LYS 17 3.209 6.322 -6.252 110 HB3 LYS 17 2HB LYS 17 4.497 7.214 -7.052 111 HG2 LYS 17 1HG LYS 17 3.143 9.149 -7.264 112 HG3 LYS 17 2HG LYS 17 1.695 8.267 -6.774 113 HD2 LYS 17 1HD LYS 17 2.944 7.831 -4.575 114 HD3 LYS 17 2HD LYS 17 4.039 9.113 -5.099 115 HE2 LYS 17 1HE LYS 17 1.940 10.531 -5.422 116 HE3 LYS 17 2HE LYS 17 1.100 9.288 -4.495 117 HZ1 LYS 17 3HZ LYS 17 1.762 10.970 -2.989 118 HZ2 LYS 17 1HZ LYS 17 3.343 11.003 -3.590 119 HZ3 LYS 17 2HZ LYS 17 2.797 9.659 -2.721 120 H CYS 18 H CYS 18 3.655 4.268 -7.397 121 HA CYS 18 HA CYS 18 5.942 3.886 -9.151 122 HB2 CYS 18 1HB CYS 18 6.328 1.851 -7.729 123 HB3 CYS 18 2HB CYS 18 6.326 3.372 -6.841 124 H GLU 19 H GLU 19 2.698 2.727 -8.738 125 HA GLU 19 HA GLU 19 1.384 1.480 -10.132 126 HB2 GLU 19 1HB GLU 19 3.770 0.966 -11.893 127 HB3 GLU 19 2HB GLU 19 2.068 0.963 -12.334 128 HG2 GLU 19 1HG GLU 19 3.386 3.462 -11.356 129 HG3 GLU 19 2HG GLU 19 3.545 2.951 -13.036 130 H LYS 20 H LYS 20 2.678 0.380 -7.891 131 HA LYS 20 HA LYS 20 3.380 -2.338 -8.757 132 HB2 LYS 20 1HB LYS 20 4.073 -0.668 -6.399 133 HB3 LYS 20 2HB LYS 20 3.912 -2.399 -6.131 134 HG2 LYS 20 1HG LYS 20 6.121 -2.314 -6.633 135 HG3 LYS 20 2HG LYS 20 5.476 -2.502 -8.265 136 HD2 LYS 20 1HD LYS 20 5.478 0.021 -8.421 137 HD3 LYS 20 2HD LYS 20 6.403 0.027 -6.917 138 HE2 LYS 20 1HE LYS 20 7.902 -1.690 -8.263 139 HE3 LYS 20 2HE LYS 20 7.200 -0.850 -9.645 140 HZ1 LYS 20 3HZ LYS 20 8.675 0.435 -7.410 141 HZ2 LYS 20 1HZ LYS 20 8.005 1.239 -8.738 142 HZ3 LYS 20 2HZ LYS 20 9.285 0.157 -8.963 143 H THR 21 H THR 21 2.232 -4.104 -8.099 144 HA THR 21 HA THR 21 -0.398 -3.557 -6.945 145 HB THR 21 HB THR 21 -0.868 -5.957 -7.607 146 HG1 THR 21 HG1 THR 21 0.620 -7.024 -8.809 147 HG21 THR 21 3HG2 THR 21 -1.294 -5.411 -9.883 148 HG22 THR 21 1HG2 THR 21 0.008 -4.223 -9.913 149 HG23 THR 21 2HG2 THR 21 -1.450 -3.910 -8.970 150 H PHE 22 H PHE 22 -0.904 -4.068 -4.918 151 HA PHE 22 HA PHE 22 0.922 -5.843 -3.436 152 HB2 PHE 22 1HB PHE 22 -0.846 -3.650 -2.332 153 HB3 PHE 22 2HB PHE 22 0.290 -4.633 -1.414 154 HD1 PHE 22 HD2 PHE 22 -0.039 -1.951 -3.899 155 HD2 PHE 22 HD1 PHE 22 2.633 -4.177 -1.445 156 HE1 PHE 22 HE2 PHE 22 1.735 -0.304 -4.341 157 HE2 PHE 22 HE1 PHE 22 4.410 -2.533 -1.883 158 HZ PHE 22 HZ PHE 22 3.963 -0.594 -3.333 159 H SER 23 H SER 23 -0.354 -6.631 -1.325 160 HA SER 23 HA SER 23 -2.704 -8.047 -2.368 161 HB2 SER 23 1HB SER 23 -1.070 -9.593 -1.611 162 HB3 SER 23 2HB SER 23 -0.767 -8.671 -0.139 163 HG SER 23 HG SER 23 -3.375 -9.438 -0.405 164 H CYS 24 H CYS 24 -1.582 -6.631 0.710 165 HA CYS 24 HA CYS 24 -4.388 -6.138 1.424 166 HB2 CYS 24 1HB CYS 24 -2.865 -7.451 2.980 167 HB3 CYS 24 2HB CYS 24 -2.000 -5.945 3.259 168 HG CYS 24 HG CYS 24 -5.355 -6.059 3.794 169 H SER 25 H SER 25 -4.930 -4.102 2.460 170 HA SER 25 HA SER 25 -3.911 -1.879 1.010 171 HB2 SER 25 1HB SER 25 -6.260 -2.021 1.770 172 HB3 SER 25 2HB SER 25 -5.715 -1.904 3.443 173 HG SER 25 HG SER 25 -4.992 0.066 1.567 174 H LYS 26 H LYS 26 -3.748 -2.781 4.450 175 HA LYS 26 HA LYS 26 -2.392 -0.736 5.561 176 HB2 LYS 26 1HB LYS 26 -2.983 -2.684 6.855 177 HB3 LYS 26 2HB LYS 26 -1.858 -3.684 5.946 178 HG2 LYS 26 1HG LYS 26 -0.768 -1.326 7.378 179 HG3 LYS 26 2HG LYS 26 -1.270 -2.722 8.334 180 HD2 LYS 26 1HD LYS 26 0.262 -4.146 7.242 181 HD3 LYS 26 2HD LYS 26 0.548 -2.976 5.952 182 HE2 LYS 26 1HE LYS 26 2.441 -2.971 7.426 183 HE3 LYS 26 2HE LYS 26 1.563 -1.456 7.634 184 HZ1 LYS 26 3HZ LYS 26 2.348 -2.798 9.694 185 HZ2 LYS 26 1HZ LYS 26 0.961 -3.723 9.405 186 HZ3 LYS 26 2HZ LYS 26 0.824 -2.063 9.703 187 H TYR 27 H TYR 27 -0.830 -3.404 3.791 188 HA TYR 27 HA TYR 27 1.796 -2.513 3.987 189 HB2 TYR 27 1HB TYR 27 0.491 -4.029 1.717 190 HB3 TYR 27 2HB TYR 27 2.227 -3.883 1.971 191 HD1 TYR 27 HD1 TYR 27 2.696 -4.393 4.717 192 HD2 TYR 27 HD2 TYR 27 -0.226 -6.167 2.184 193 HE1 TYR 27 HE1 TYR 27 2.656 -6.381 6.166 194 HE2 TYR 27 HE2 TYR 27 -0.276 -8.159 3.626 195 HH TYR 27 HH TYR 27 1.919 -8.487 6.382 196 H LEU 28 H LEU 28 -0.696 -1.708 1.612 197 HA LEU 28 HA LEU 28 1.000 -0.116 -0.027 198 HB2 LEU 28 1HB LEU 28 -1.015 -1.078 -0.929 199 HB3 LEU 28 2HB LEU 28 -1.999 -0.216 0.252 200 HG LEU 28 HG LEU 28 -1.236 1.923 -0.836 201 HD11 LEU 28 1HD1 LEU 28 0.615 1.572 -2.098 202 HD12 LEU 28 2HD1 LEU 28 -0.603 1.336 -3.352 203 HD13 LEU 28 3HD1 LEU 28 0.130 -0.060 -2.560 204 HD21 LEU 28 3HD2 LEU 28 -3.253 0.118 -1.539 205 HD22 LEU 28 1HD2 LEU 28 -2.566 0.681 -3.063 206 HD23 LEU 28 2HD2 LEU 28 -3.188 1.846 -1.893 207 H THR 29 H THR 29 -1.727 0.892 2.043 208 HA THR 29 HA THR 29 -1.552 3.545 2.070 209 HB THR 29 HB THR 29 -1.722 1.911 4.609 210 HG1 THR 29 HG1 THR 29 -3.801 2.890 2.920 211 HG21 THR 29 3HG2 THR 29 -1.353 4.512 4.639 212 HG22 THR 29 1HG2 THR 29 -2.545 3.765 5.703 213 HG23 THR 29 2HG2 THR 29 -3.063 4.548 4.210 214 H GLN 30 H GLN 30 0.399 1.636 4.373 215 HA GLN 30 HA GLN 30 1.998 3.765 5.231 216 HB2 GLN 30 1HB GLN 30 1.764 1.540 6.361 217 HB3 GLN 30 2HB GLN 30 2.804 0.856 5.120 218 HG2 GLN 30 1HG GLN 30 3.682 3.165 6.816 219 HG3 GLN 30 2HG GLN 30 3.863 1.494 7.347 220 HE21 GLN 30 1HE2 GLN 30 5.772 3.698 6.527 221 HE22 GLN 30 2HE2 GLN 30 6.824 2.937 5.388 222 H HIS 31 H HIS 31 2.483 1.410 2.635 223 HA HIS 31 HA HIS 31 5.086 2.047 1.915 224 HB2 HIS 31 1HB HIS 31 4.333 0.203 0.773 225 HB3 HIS 31 2HB HIS 31 2.740 0.896 0.487 226 HD1 HIS 31 HD1 HIS 31 6.025 0.401 -1.071 227 HD2 HIS 31 HD2 HIS 31 2.667 2.760 -1.717 228 HE1 HIS 31 HE1 HIS 31 6.259 1.275 -3.417 229 H GLU 32 H GLU 32 2.079 3.369 0.520 230 HA GLU 32 HA GLU 32 2.905 5.109 -1.317 231 HB2 GLU 32 1HB GLU 32 0.943 5.699 0.902 232 HB3 GLU 32 2HB GLU 32 1.143 6.717 -0.517 233 HG2 GLU 32 1HG GLU 32 0.590 3.821 -0.902 234 HG3 GLU 32 2HG GLU 32 -0.726 4.884 -0.406 235 H ARG 33 H ARG 33 3.413 5.499 2.137 236 HA ARG 33 HA ARG 33 4.222 8.119 2.312 237 HB2 ARG 33 1HB ARG 33 5.390 5.716 3.726 238 HB3 ARG 33 2HB ARG 33 5.672 7.386 4.198 239 HG2 ARG 33 1HG ARG 33 3.198 7.625 4.498 240 HG3 ARG 33 2HG ARG 33 3.070 5.883 4.249 241 HD2 ARG 33 1HD ARG 33 4.834 5.719 6.128 242 HD3 ARG 33 2HD ARG 33 4.374 7.381 6.493 243 HE ARG 33 HE ARG 33 2.183 5.500 6.314 244 HH11 ARG 33 1HH1 ARG 33 4.496 7.096 8.368 245 HH12 ARG 33 2HH1 ARG 33 3.573 6.856 9.814 246 HH21 ARG 33 1HH2 ARG 33 0.958 5.178 8.211 247 HH22 ARG 33 2HH2 ARG 33 1.562 5.764 9.724 248 H ILE 34 H ILE 34 6.263 5.314 1.514 249 HA ILE 34 HA ILE 34 8.730 6.304 1.283 250 HB ILE 34 HB ILE 34 9.220 4.791 -0.479 251 HG12 ILE 34 1HG1 ILE 34 6.271 4.557 -1.086 252 HG13 ILE 34 2HG1 ILE 34 7.348 5.639 -1.963 253 HG21 ILE 34 1HG2 ILE 34 7.148 3.040 0.385 254 HG22 ILE 34 2HG2 ILE 34 8.841 3.077 0.875 255 HG23 ILE 34 3HG2 ILE 34 7.650 4.040 1.748 256 HD11 ILE 34 3HD1 ILE 34 8.721 3.657 -2.574 257 HD12 ILE 34 1HD1 ILE 34 7.483 2.639 -1.840 258 HD13 ILE 34 2HD1 ILE 34 7.086 3.645 -3.234 259 H HIS 35 H HIS 35 6.040 7.184 -0.767 260 HA HIS 35 HA HIS 35 7.710 8.720 -2.574 261 HB2 HIS 35 1HB HIS 35 4.692 8.580 -2.428 262 HB3 HIS 35 2HB HIS 35 5.651 9.225 -3.757 263 HD1 HIS 35 HD1 HIS 35 7.532 7.155 -4.539 264 HD2 HIS 35 HD2 HIS 35 3.754 6.158 -3.126 265 HE1 HIS 35 HE1 HIS 35 7.084 4.835 -5.398 266 H THR 36 H THR 36 4.926 9.489 -0.476 267 HA THR 36 HA THR 36 4.900 12.192 -0.580 268 HB THR 36 HB THR 36 4.095 12.233 1.752 269 HG1 THR 36 HG1 THR 36 5.201 10.759 2.885 270 HG21 THR 36 3HG2 THR 36 2.707 11.399 -0.240 271 HG22 THR 36 1HG2 THR 36 2.122 11.019 1.379 272 HG23 THR 36 2HG2 THR 36 2.955 9.787 0.430 273 H ARG 37 H ARG 37 7.138 10.223 1.324 274 HA ARG 37 HA ARG 37 8.754 12.645 1.773 275 HB2 ARG 37 1HB ARG 37 7.643 11.688 3.838 276 HB3 ARG 37 2HB ARG 37 8.654 10.265 3.626 277 HG2 ARG 37 1HG ARG 37 10.576 11.371 4.213 278 HG3 ARG 37 2HG ARG 37 9.940 12.949 3.742 279 HD2 ARG 37 1HD ARG 37 9.949 13.049 6.064 280 HD3 ARG 37 2HD ARG 37 8.282 12.616 5.684 281 HE ARG 37 HE ARG 37 8.601 10.662 6.808 282 HH11 ARG 37 1HH1 ARG 37 11.710 11.916 5.869 283 HH12 ARG 37 2HH1 ARG 37 12.603 10.691 6.706 284 HH21 ARG 37 1HH2 ARG 37 9.766 9.043 7.915 285 HH22 ARG 37 2HH2 ARG 37 11.496 9.056 7.869 286 H GLY 38 H GLY 38 9.096 11.159 -0.513 287 HA2 GLY 38 1HA GLY 38 11.075 9.121 -0.215 288 HA3 GLY 38 2HA GLY 38 10.619 9.916 -1.715 289 H VAL 39 H VAL 39 13.248 9.215 -0.254 290 HA VAL 39 HA VAL 39 14.692 11.355 0.581 291 HB VAL 39 HB VAL 39 15.691 9.276 -1.372 292 HG11 VAL 39 1HG1 VAL 39 17.384 10.633 0.679 293 HG12 VAL 39 2HG1 VAL 39 17.853 9.873 -0.843 294 HG13 VAL 39 3HG1 VAL 39 17.050 11.444 -0.851 295 HG21 VAL 39 3HG2 VAL 39 14.694 8.949 1.227 296 HG22 VAL 39 1HG2 VAL 39 15.595 7.777 0.266 297 HG23 VAL 39 2HG2 VAL 39 16.450 8.856 1.368 298 H LYS 40 H LYS 40 15.699 13.114 -0.279 299 HA LYS 40 HA LYS 40 15.200 13.656 -3.134 300 HB2 LYS 40 1HB LYS 40 15.112 15.494 -0.749 301 HB3 LYS 40 2HB LYS 40 15.288 16.109 -2.387 302 HG2 LYS 40 1HG LYS 40 13.151 15.552 -2.976 303 HG3 LYS 40 2HG LYS 40 13.056 14.230 -1.811 304 HD2 LYS 40 1HD LYS 40 13.220 16.159 -0.053 305 HD3 LYS 40 2HD LYS 40 12.669 17.164 -1.395 306 HE2 LYS 40 1HE LYS 40 10.845 15.323 -1.660 307 HE3 LYS 40 2HE LYS 40 11.264 14.926 0.006 308 HZ1 LYS 40 3HZ LYS 40 9.429 16.483 -0.080 309 HZ2 LYS 40 1HZ LYS 40 10.358 17.581 -0.970 310 HZ3 LYS 40 2HZ LYS 40 10.779 17.217 0.627 311 H SER 41 H SER 41 16.746 15.243 -4.094 312 HA SER 41 HA SER 41 19.450 14.822 -3.000 313 HB2 SER 41 1HB SER 41 18.438 14.824 -5.832 314 HB3 SER 41 2HB SER 41 20.130 15.173 -5.481 315 HG SER 41 HG SER 41 19.104 12.946 -4.215 316 H GLY 42 H GLY 42 17.396 17.053 -4.846 317 HA2 GLY 42 1HA GLY 42 17.771 19.376 -3.624 318 HA3 GLY 42 2HA GLY 42 19.316 19.213 -4.444 319 HA PRO 43 HA PRO 43 15.689 20.715 -7.263 320 HB2 PRO 43 1HB PRO 43 15.604 23.375 -6.726 321 HB3 PRO 43 2HB PRO 43 14.581 22.195 -5.899 322 HG2 PRO 43 1HG PRO 43 17.133 23.463 -4.982 323 HG3 PRO 43 2HG PRO 43 15.641 23.165 -4.071 324 HD2 PRO 43 1HD PRO 43 17.817 21.566 -3.865 325 HD3 PRO 43 2HD PRO 43 16.160 20.950 -3.700 326 H SER 44 H SER 44 18.889 21.527 -6.476 327 HA SER 44 HA SER 44 19.285 23.054 -8.946 328 HB2 SER 44 1HB SER 44 21.504 23.593 -8.039 329 HB3 SER 44 2HB SER 44 20.237 24.006 -6.884 330 HG SER 44 HG SER 44 20.793 21.628 -6.210 331 H SER 45 H SER 45 19.116 21.357 -10.435 332 HA SER 45 HA SER 45 21.165 19.258 -10.257 333 HB2 SER 45 1HB SER 45 18.472 19.418 -11.526 334 HB3 SER 45 2HB SER 45 19.686 18.404 -12.305 335 HG SER 45 HG SER 45 19.387 18.144 -9.549 336 H GLY 46 H GLY 46 22.975 20.245 -11.063 337 HA2 GLY 46 1HA GLY 46 24.373 21.257 -12.591 338 HA3 GLY 46 2HA GLY 46 23.518 20.240 -13.742 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -12.588 -2.881 -25.027 2 HA2 GLY 1 1HA GLY 1 -13.830 -5.237 -24.355 3 HA3 GLY 1 2HA GLY 1 -12.363 -5.730 -25.187 4 H SER 2 H SER 2 -10.324 -4.625 -24.360 5 HA SER 2 HA SER 2 -10.233 -5.029 -21.501 6 HB2 SER 2 1HB SER 2 -8.119 -4.453 -23.579 7 HB3 SER 2 2HB SER 2 -7.753 -4.551 -21.857 8 HG SER 2 HG SER 2 -8.421 -6.678 -21.856 9 H SER 3 H SER 3 -11.810 -2.836 -22.129 10 HA SER 3 HA SER 3 -10.274 -0.414 -21.840 11 HB2 SER 3 1HB SER 3 -12.517 -0.671 -23.073 12 HB3 SER 3 2HB SER 3 -13.257 -0.649 -21.472 13 HG SER 3 HG SER 3 -12.872 1.430 -22.762 14 H GLY 4 H GLY 4 -9.209 -0.348 -19.917 15 HA2 GLY 4 1HA GLY 4 -9.521 0.643 -17.695 16 HA3 GLY 4 2HA GLY 4 -10.903 -0.423 -17.497 17 H SER 5 H SER 5 -9.923 -2.837 -18.313 18 HA SER 5 HA SER 5 -8.822 -4.660 -17.513 19 HB2 SER 5 1HB SER 5 -6.914 -3.417 -18.595 20 HB3 SER 5 2HB SER 5 -6.522 -2.761 -17.005 21 HG SER 5 HG SER 5 -6.800 -5.536 -17.327 22 H SER 6 H SER 6 -10.496 -3.417 -15.686 23 HA SER 6 HA SER 6 -9.369 -4.370 -13.211 24 HB2 SER 6 1HB SER 6 -9.544 -2.339 -11.952 25 HB3 SER 6 2HB SER 6 -8.588 -1.973 -13.388 26 HG SER 6 HG SER 6 -10.178 -0.385 -13.032 27 H GLY 7 H GLY 7 -10.948 -5.609 -12.455 28 HA2 GLY 7 1HA GLY 7 -13.720 -4.603 -12.658 29 HA3 GLY 7 2HA GLY 7 -13.308 -6.297 -12.879 30 H GLN 8 H GLN 8 -15.217 -5.577 -11.052 31 HA GLN 8 HA GLN 8 -14.199 -5.205 -8.431 32 HB2 GLN 8 1HB GLN 8 -16.451 -5.787 -7.681 33 HB3 GLN 8 2HB GLN 8 -16.513 -4.657 -9.027 34 HG2 GLN 8 1HG GLN 8 -18.116 -6.111 -9.693 35 HG3 GLN 8 2HG GLN 8 -16.712 -6.885 -10.427 36 HE21 GLN 8 1HE2 GLN 8 -18.169 -6.817 -7.187 37 HE22 GLN 8 2HE2 GLN 8 -18.204 -8.532 -6.982 38 H LYS 9 H LYS 9 -15.181 -8.069 -10.267 39 HA LYS 9 HA LYS 9 -15.205 -10.090 -8.532 40 HB2 LYS 9 1HB LYS 9 -13.863 -9.891 -11.205 41 HB3 LYS 9 2HB LYS 9 -13.747 -11.382 -10.279 42 HG2 LYS 9 1HG LYS 9 -16.383 -10.091 -10.907 43 HG3 LYS 9 2HG LYS 9 -15.599 -11.231 -12.004 44 HD2 LYS 9 1HD LYS 9 -15.788 -13.000 -10.486 45 HD3 LYS 9 2HD LYS 9 -16.065 -11.917 -9.120 46 HE2 LYS 9 1HE LYS 9 -18.146 -12.950 -9.667 47 HE3 LYS 9 2HE LYS 9 -18.231 -11.265 -10.178 48 HZ1 LYS 9 3HZ LYS 9 -17.611 -13.544 -11.977 49 HZ2 LYS 9 1HZ LYS 9 -17.821 -11.929 -12.435 50 HZ3 LYS 9 2HZ LYS 9 -19.131 -12.815 -11.835 51 H GLU 10 H GLU 10 -12.238 -8.473 -9.602 52 HA GLU 10 HA GLU 10 -10.802 -9.835 -7.418 53 HB2 GLU 10 1HB GLU 10 -9.658 -8.680 -9.968 54 HB3 GLU 10 2HB GLU 10 -8.747 -9.499 -8.706 55 HG2 GLU 10 1HG GLU 10 -10.837 -10.708 -10.499 56 HG3 GLU 10 2HG GLU 10 -9.099 -11.001 -10.540 57 H LYS 11 H LYS 11 -9.997 -8.623 -5.830 58 HA LYS 11 HA LYS 11 -9.935 -5.702 -6.215 59 HB2 LYS 11 1HB LYS 11 -11.606 -6.630 -4.555 60 HB3 LYS 11 2HB LYS 11 -10.236 -7.149 -3.582 61 HG2 LYS 11 1HG LYS 11 -9.482 -4.766 -3.524 62 HG3 LYS 11 2HG LYS 11 -11.004 -4.332 -4.305 63 HD2 LYS 11 1HD LYS 11 -11.119 -6.015 -1.856 64 HD3 LYS 11 2HD LYS 11 -10.725 -4.304 -1.669 65 HE2 LYS 11 1HE LYS 11 -13.009 -4.224 -1.512 66 HE3 LYS 11 2HE LYS 11 -12.801 -3.985 -3.246 67 HZ1 LYS 11 3HZ LYS 11 -14.517 -5.617 -2.781 68 HZ2 LYS 11 1HZ LYS 11 -13.417 -6.571 -1.920 69 HZ3 LYS 11 2HZ LYS 11 -13.217 -6.342 -3.584 70 H CYS 12 H CYS 12 -7.865 -5.221 -6.672 71 HA CYS 12 HA CYS 12 -5.816 -6.156 -4.776 72 HB2 CYS 12 1HB CYS 12 -5.730 -7.186 -7.127 73 HB3 CYS 12 2HB CYS 12 -5.237 -5.589 -7.677 74 HG CYS 12 HG CYS 12 -3.528 -7.344 -5.291 75 H PHE 13 H PHE 13 -4.839 -4.563 -3.728 76 HA PHE 13 HA PHE 13 -5.347 -1.826 -4.404 77 HB2 PHE 13 1HB PHE 13 -3.363 -2.818 -2.359 78 HB3 PHE 13 2HB PHE 13 -4.213 -1.276 -2.384 79 HD1 PHE 13 HD1 PHE 13 -6.908 -1.651 -2.519 80 HD2 PHE 13 HD2 PHE 13 -4.069 -4.296 -0.769 81 HE1 PHE 13 HE1 PHE 13 -8.675 -2.600 -1.094 82 HE2 PHE 13 HE2 PHE 13 -5.832 -5.250 0.657 83 HZ PHE 13 HZ PHE 13 -8.139 -4.403 0.496 84 H LYS 14 H LYS 14 -4.370 -1.071 -6.189 85 HA LYS 14 HA LYS 14 -1.505 -1.614 -6.559 86 HB2 LYS 14 1HB LYS 14 -3.365 -2.033 -8.373 87 HB3 LYS 14 2HB LYS 14 -3.201 -0.304 -8.647 88 HG2 LYS 14 1HG LYS 14 -1.038 -0.496 -9.429 89 HG3 LYS 14 2HG LYS 14 -0.774 -2.043 -8.621 90 HD2 LYS 14 1HD LYS 14 -2.075 -3.208 -10.208 91 HD3 LYS 14 2HD LYS 14 -2.758 -1.715 -10.858 92 HE2 LYS 14 1HE LYS 14 -0.771 -1.147 -11.950 93 HE3 LYS 14 2HE LYS 14 0.190 -2.256 -10.973 94 HZ1 LYS 14 3HZ LYS 14 -1.853 -3.104 -12.954 95 HZ2 LYS 14 1HZ LYS 14 -0.800 -4.111 -12.094 96 HZ3 LYS 14 2HZ LYS 14 -0.190 -3.047 -13.258 97 H CYS 15 H CYS 15 -0.091 -0.063 -6.121 98 HA CYS 15 HA CYS 15 -0.729 2.414 -5.064 99 HB2 CYS 15 1HB CYS 15 1.533 1.099 -5.146 100 HB3 CYS 15 2HB CYS 15 1.818 2.045 -6.603 101 H ASN 16 H ASN 16 0.169 4.542 -6.081 102 HA ASN 16 HA ASN 16 -1.025 4.772 -8.762 103 HB2 ASN 16 1HB ASN 16 -0.985 7.320 -7.964 104 HB3 ASN 16 2HB ASN 16 -2.304 6.231 -7.547 105 HD21 ASN 16 1HD2 ASN 16 -1.748 4.886 -5.494 106 HD22 ASN 16 2HD2 ASN 16 -1.171 5.818 -4.159 107 H LYS 17 H LYS 17 1.589 6.076 -6.731 108 HA LYS 17 HA LYS 17 2.931 7.456 -8.778 109 HB2 LYS 17 1HB LYS 17 3.855 6.327 -6.141 110 HB3 LYS 17 2HB LYS 17 4.938 7.207 -7.211 111 HG2 LYS 17 1HG LYS 17 2.344 8.413 -6.338 112 HG3 LYS 17 2HG LYS 17 3.769 8.472 -5.299 113 HD2 LYS 17 1HD LYS 17 4.061 9.302 -8.141 114 HD3 LYS 17 2HD LYS 17 3.234 10.398 -7.031 115 HE2 LYS 17 1HE LYS 17 5.137 10.547 -5.624 116 HE3 LYS 17 2HE LYS 17 5.931 9.201 -6.440 117 HZ1 LYS 17 3HZ LYS 17 6.978 11.022 -7.344 118 HZ2 LYS 17 1HZ LYS 17 5.580 11.975 -7.357 119 HZ3 LYS 17 2HZ LYS 17 5.769 10.736 -8.493 120 H CYS 18 H CYS 18 4.057 4.461 -7.201 121 HA CYS 18 HA CYS 18 5.699 3.811 -9.476 122 HB2 CYS 18 1HB CYS 18 6.325 1.818 -8.162 123 HB3 CYS 18 2HB CYS 18 6.495 3.301 -7.229 124 H GLU 19 H GLU 19 2.621 2.786 -8.155 125 HA GLU 19 HA GLU 19 0.909 1.610 -9.103 126 HB2 GLU 19 1HB GLU 19 2.593 1.257 -11.576 127 HB3 GLU 19 2HB GLU 19 0.841 1.224 -11.443 128 HG2 GLU 19 1HG GLU 19 0.755 3.576 -11.050 129 HG3 GLU 19 2HG GLU 19 2.511 3.670 -10.924 130 H LYS 20 H LYS 20 2.729 0.337 -7.451 131 HA LYS 20 HA LYS 20 3.234 -2.267 -8.697 132 HB2 LYS 20 1HB LYS 20 4.325 -0.825 -6.331 133 HB3 LYS 20 2HB LYS 20 4.290 -2.582 -6.269 134 HG2 LYS 20 1HG LYS 20 5.699 -2.772 -8.158 135 HG3 LYS 20 2HG LYS 20 5.528 -1.058 -8.543 136 HD2 LYS 20 1HD LYS 20 6.715 -0.469 -6.494 137 HD3 LYS 20 2HD LYS 20 6.856 -2.178 -6.073 138 HE2 LYS 20 1HE LYS 20 8.926 -1.325 -7.053 139 HE3 LYS 20 2HE LYS 20 8.199 -2.570 -8.068 140 HZ1 LYS 20 3HZ LYS 20 9.063 -0.327 -9.076 141 HZ2 LYS 20 1HZ LYS 20 7.532 0.228 -8.618 142 HZ3 LYS 20 2HZ LYS 20 7.675 -1.076 -9.686 143 H THR 21 H THR 21 2.151 -4.074 -8.147 144 HA THR 21 HA THR 21 -0.243 -3.791 -6.564 145 HB THR 21 HB THR 21 -0.546 -6.247 -7.131 146 HG1 THR 21 HG1 THR 21 1.503 -5.852 -9.035 147 HG21 THR 21 3HG2 THR 21 -1.261 -5.799 -9.366 148 HG22 THR 21 1HG2 THR 21 -0.128 -4.457 -9.523 149 HG23 THR 21 2HG2 THR 21 -1.507 -4.323 -8.432 150 H PHE 22 H PHE 22 -0.530 -4.369 -4.505 151 HA PHE 22 HA PHE 22 1.629 -5.879 -3.186 152 HB2 PHE 22 1HB PHE 22 -0.202 -3.726 -2.126 153 HB3 PHE 22 2HB PHE 22 0.773 -4.750 -1.077 154 HD1 PHE 22 HD2 PHE 22 0.901 -2.185 -3.720 155 HD2 PHE 22 HD1 PHE 22 3.091 -4.368 -0.795 156 HE1 PHE 22 HE2 PHE 22 2.808 -0.658 -4.012 157 HE2 PHE 22 HE1 PHE 22 5.001 -2.844 -1.081 158 HZ PHE 22 HZ PHE 22 4.861 -0.986 -2.693 159 H SER 23 H SER 23 0.700 -6.840 -1.002 160 HA SER 23 HA SER 23 -1.344 -8.714 -1.824 161 HB2 SER 23 1HB SER 23 0.686 -9.448 -0.582 162 HB3 SER 23 2HB SER 23 0.127 -8.530 0.816 163 HG SER 23 HG SER 23 -0.550 -10.630 1.074 164 H CYS 24 H CYS 24 -0.902 -6.519 0.952 165 HA CYS 24 HA CYS 24 -3.837 -6.386 1.182 166 HB2 CYS 24 1HB CYS 24 -1.700 -6.584 3.260 167 HB3 CYS 24 2HB CYS 24 -3.158 -5.678 3.641 168 HG CYS 24 HG CYS 24 -4.732 -7.692 4.040 169 H SER 25 H SER 25 -4.400 -4.321 2.595 170 HA SER 25 HA SER 25 -3.488 -2.080 1.023 171 HB2 SER 25 1HB SER 25 -5.156 -0.802 2.398 172 HB3 SER 25 2HB SER 25 -5.840 -2.182 1.541 173 HG SER 25 HG SER 25 -6.597 -2.508 3.518 174 H LYS 26 H LYS 26 -3.517 -2.895 4.490 175 HA LYS 26 HA LYS 26 -2.302 -0.759 5.612 176 HB2 LYS 26 1HB LYS 26 -1.306 -2.279 7.267 177 HB3 LYS 26 2HB LYS 26 -2.968 -2.721 6.898 178 HG2 LYS 26 1HG LYS 26 -2.234 -4.538 5.508 179 HG3 LYS 26 2HG LYS 26 -0.549 -4.045 5.692 180 HD2 LYS 26 1HD LYS 26 -0.798 -5.811 7.206 181 HD3 LYS 26 2HD LYS 26 -0.932 -4.364 8.208 182 HE2 LYS 26 1HE LYS 26 -3.372 -4.539 8.125 183 HE3 LYS 26 2HE LYS 26 -3.236 -5.984 7.124 184 HZ1 LYS 26 3HZ LYS 26 -1.697 -6.226 9.503 185 HZ2 LYS 26 1HZ LYS 26 -2.924 -7.231 8.914 186 HZ3 LYS 26 2HZ LYS 26 -3.314 -5.888 9.866 187 H TYR 27 H TYR 27 -0.668 -3.338 3.820 188 HA TYR 27 HA TYR 27 1.959 -2.347 4.239 189 HB2 TYR 27 1HB TYR 27 0.724 -4.334 2.365 190 HB3 TYR 27 2HB TYR 27 2.383 -3.807 2.105 191 HD1 TYR 27 HD1 TYR 27 4.043 -4.107 4.018 192 HD2 TYR 27 HD2 TYR 27 0.232 -5.995 3.944 193 HE1 TYR 27 HE1 TYR 27 4.828 -5.741 5.680 194 HE2 TYR 27 HE2 TYR 27 1.005 -7.634 5.607 195 HH TYR 27 HH TYR 27 2.751 -7.776 7.378 196 H LEU 28 H LEU 28 -0.475 -1.834 1.750 197 HA LEU 28 HA LEU 28 1.254 -0.354 0.014 198 HB2 LEU 28 1HB LEU 28 -0.633 -1.500 -0.918 199 HB3 LEU 28 2HB LEU 28 -1.742 -0.633 0.142 200 HG LEU 28 HG LEU 28 -1.251 1.449 -1.056 201 HD11 LEU 28 1HD1 LEU 28 0.901 -0.142 -2.133 202 HD12 LEU 28 2HD1 LEU 28 0.661 1.604 -2.174 203 HD13 LEU 28 3HD1 LEU 28 -0.063 0.586 -3.418 204 HD21 LEU 28 3HD2 LEU 28 -2.240 -0.937 -2.572 205 HD22 LEU 28 1HD2 LEU 28 -2.183 0.657 -3.326 206 HD23 LEU 28 2HD2 LEU 28 -3.155 0.402 -1.876 207 H THR 29 H THR 29 -1.630 0.678 1.848 208 HA THR 29 HA THR 29 -1.612 3.328 1.616 209 HB THR 29 HB THR 29 -1.765 2.045 4.348 210 HG1 THR 29 HG1 THR 29 -3.537 2.043 2.160 211 HG21 THR 29 3HG2 THR 29 -1.758 4.475 4.404 212 HG22 THR 29 1HG2 THR 29 -3.365 3.867 4.797 213 HG23 THR 29 2HG2 THR 29 -3.040 4.528 3.195 214 H GLN 30 H GLN 30 0.378 1.734 4.117 215 HA GLN 30 HA GLN 30 1.791 4.043 4.858 216 HB2 GLN 30 1HB GLN 30 2.501 1.118 5.099 217 HB3 GLN 30 2HB GLN 30 3.456 2.409 5.816 218 HG2 GLN 30 1HG GLN 30 0.555 2.313 6.430 219 HG3 GLN 30 2HG GLN 30 1.609 1.115 7.179 220 HE21 GLN 30 1HE2 GLN 30 0.578 4.373 7.146 221 HE22 GLN 30 2HE2 GLN 30 1.551 4.934 8.459 222 H HIS 31 H HIS 31 2.483 1.537 2.467 223 HA HIS 31 HA HIS 31 5.089 2.280 1.802 224 HB2 HIS 31 1HB HIS 31 4.503 0.270 0.844 225 HB3 HIS 31 2HB HIS 31 2.894 0.828 0.399 226 HD1 HIS 31 HD1 HIS 31 6.230 0.270 -0.955 227 HD2 HIS 31 HD2 HIS 31 2.911 2.562 -1.952 228 HE1 HIS 31 HE1 HIS 31 6.572 0.941 -3.354 229 H GLU 32 H GLU 32 2.062 3.200 0.150 230 HA GLU 32 HA GLU 32 2.913 4.844 -1.795 231 HB2 GLU 32 1HB GLU 32 0.666 5.476 0.128 232 HB3 GLU 32 2HB GLU 32 0.887 6.218 -1.451 233 HG2 GLU 32 1HG GLU 32 0.511 4.126 -2.555 234 HG3 GLU 32 2HG GLU 32 0.477 3.270 -1.015 235 H ARG 33 H ARG 33 3.230 5.425 1.607 236 HA ARG 33 HA ARG 33 3.618 8.189 1.639 237 HB2 ARG 33 1HB ARG 33 4.941 6.096 3.376 238 HB3 ARG 33 2HB ARG 33 4.854 7.816 3.733 239 HG2 ARG 33 1HG ARG 33 2.432 7.682 3.884 240 HG3 ARG 33 2HG ARG 33 2.493 5.966 3.478 241 HD2 ARG 33 1HD ARG 33 2.276 6.081 5.829 242 HD3 ARG 33 2HD ARG 33 3.959 5.664 5.510 243 HE ARG 33 HE ARG 33 3.685 8.463 5.745 244 HH11 ARG 33 1HH1 ARG 33 3.655 5.554 7.657 245 HH12 ARG 33 2HH1 ARG 33 4.201 6.341 9.100 246 HH21 ARG 33 1HH2 ARG 33 4.405 9.511 7.639 247 HH22 ARG 33 2HH2 ARG 33 4.626 8.592 9.089 248 H ILE 34 H ILE 34 5.975 5.567 1.197 249 HA ILE 34 HA ILE 34 8.351 6.829 1.155 250 HB ILE 34 HB ILE 34 9.176 5.250 -0.438 251 HG12 ILE 34 1HG1 ILE 34 6.455 4.262 -1.161 252 HG13 ILE 34 2HG1 ILE 34 7.036 5.729 -1.941 253 HG21 ILE 34 1HG2 ILE 34 7.450 4.489 1.724 254 HG22 ILE 34 2HG2 ILE 34 7.415 3.263 0.457 255 HG23 ILE 34 3HG2 ILE 34 8.952 3.743 1.177 256 HD11 ILE 34 3HD1 ILE 34 7.819 2.945 -2.341 257 HD12 ILE 34 1HD1 ILE 34 7.910 4.324 -3.437 258 HD13 ILE 34 2HD1 ILE 34 9.171 4.072 -2.230 259 H HIS 35 H HIS 35 5.757 7.353 -1.072 260 HA HIS 35 HA HIS 35 7.403 8.772 -2.989 261 HB2 HIS 35 1HB HIS 35 4.389 8.571 -2.857 262 HB3 HIS 35 2HB HIS 35 5.348 9.107 -4.233 263 HD1 HIS 35 HD1 HIS 35 7.284 7.017 -4.794 264 HD2 HIS 35 HD2 HIS 35 3.512 6.073 -3.331 265 HE1 HIS 35 HE1 HIS 35 6.898 4.615 -5.431 266 H THR 36 H THR 36 4.737 9.591 -0.774 267 HA THR 36 HA THR 36 4.747 12.351 -1.214 268 HB THR 36 HB THR 36 3.663 12.535 1.026 269 HG1 THR 36 HG1 THR 36 4.951 10.444 1.645 270 HG21 THR 36 3HG2 THR 36 2.034 10.395 0.191 271 HG22 THR 36 1HG2 THR 36 2.749 11.075 -1.270 272 HG23 THR 36 2HG2 THR 36 1.833 12.109 -0.172 273 H ARG 37 H ARG 37 5.752 14.069 -0.207 274 HA ARG 37 HA ARG 37 8.333 13.478 0.964 275 HB2 ARG 37 1HB ARG 37 6.969 15.975 0.006 276 HB3 ARG 37 2HB ARG 37 8.421 16.078 0.992 277 HG2 ARG 37 1HG ARG 37 9.767 15.235 -0.651 278 HG3 ARG 37 2HG ARG 37 8.459 14.322 -1.406 279 HD2 ARG 37 1HD ARG 37 7.478 16.435 -2.203 280 HD3 ARG 37 2HD ARG 37 8.829 17.314 -1.489 281 HE ARG 37 HE ARG 37 10.072 15.572 -3.114 282 HH11 ARG 37 1HH1 ARG 37 7.419 17.769 -3.620 283 HH12 ARG 37 2HH1 ARG 37 7.781 18.027 -5.294 284 HH21 ARG 37 1HH2 ARG 37 10.559 15.904 -5.318 285 HH22 ARG 37 2HH2 ARG 37 9.567 16.965 -6.259 286 H GLY 38 H GLY 38 9.017 15.005 2.836 287 HA2 GLY 38 1HA GLY 38 7.612 14.258 5.132 288 HA3 GLY 38 2HA GLY 38 8.823 15.530 5.061 289 H VAL 39 H VAL 39 7.052 16.106 6.819 290 HA VAL 39 HA VAL 39 4.802 17.533 5.633 291 HB VAL 39 HB VAL 39 4.417 16.176 7.655 292 HG11 VAL 39 1HG1 VAL 39 6.805 17.119 8.530 293 HG12 VAL 39 2HG1 VAL 39 5.684 18.117 9.457 294 HG13 VAL 39 3HG1 VAL 39 5.593 16.359 9.562 295 HG21 VAL 39 3HG2 VAL 39 3.966 18.891 8.696 296 HG22 VAL 39 1HG2 VAL 39 3.372 18.597 7.062 297 HG23 VAL 39 2HG2 VAL 39 2.820 17.585 8.396 298 H LYS 40 H LYS 40 6.055 19.163 4.567 299 HA LYS 40 HA LYS 40 6.490 21.470 6.237 300 HB2 LYS 40 1HB LYS 40 8.776 20.090 4.848 301 HB3 LYS 40 2HB LYS 40 8.824 21.811 5.207 302 HG2 LYS 40 1HG LYS 40 8.191 20.956 7.627 303 HG3 LYS 40 2HG LYS 40 8.963 19.482 7.038 304 HD2 LYS 40 1HD LYS 40 11.013 20.587 6.662 305 HD3 LYS 40 2HD LYS 40 10.269 22.181 6.805 306 HE2 LYS 40 1HE LYS 40 10.399 20.203 9.071 307 HE3 LYS 40 2HE LYS 40 11.634 21.428 8.786 308 HZ1 LYS 40 3HZ LYS 40 9.133 22.680 8.743 309 HZ2 LYS 40 1HZ LYS 40 10.385 22.880 9.864 310 HZ3 LYS 40 2HZ LYS 40 9.194 21.708 10.127 311 H SER 41 H SER 41 6.853 23.428 4.980 312 HA SER 41 HA SER 41 5.148 23.954 3.003 313 HB2 SER 41 1HB SER 41 6.519 25.820 2.315 314 HB3 SER 41 2HB SER 41 6.709 25.609 4.055 315 HG SER 41 HG SER 41 8.656 25.854 2.528 316 H GLY 42 H GLY 42 4.690 22.759 1.267 317 HA2 GLY 42 1HA GLY 42 6.932 22.021 -0.512 318 HA3 GLY 42 2HA GLY 42 5.597 20.923 -0.194 319 HA PRO 43 HA PRO 43 4.002 24.608 -2.947 320 HB2 PRO 43 1HB PRO 43 5.948 25.844 -4.382 321 HB3 PRO 43 2HB PRO 43 5.424 26.406 -2.790 322 HG2 PRO 43 1HG PRO 43 7.808 24.752 -3.525 323 HG3 PRO 43 2HG PRO 43 7.695 26.108 -2.388 324 HD2 PRO 43 1HD PRO 43 7.710 23.524 -1.577 325 HD3 PRO 43 2HD PRO 43 6.819 24.792 -0.710 326 H SER 44 H SER 44 6.391 22.251 -3.641 327 HA SER 44 HA SER 44 6.144 22.189 -6.472 328 HB2 SER 44 1HB SER 44 8.019 21.182 -5.052 329 HB3 SER 44 2HB SER 44 6.917 19.841 -4.741 330 HG SER 44 HG SER 44 8.007 20.687 -7.209 331 H SER 45 H SER 45 3.915 22.230 -6.905 332 HA SER 45 HA SER 45 2.503 19.712 -6.306 333 HB2 SER 45 1HB SER 45 1.445 21.625 -5.199 334 HB3 SER 45 2HB SER 45 1.326 22.469 -6.743 335 HG SER 45 HG SER 45 0.140 20.364 -7.331 336 H GLY 46 H GLY 46 4.217 19.868 -8.484 337 HA2 GLY 46 1HA GLY 46 4.318 19.717 -10.788 338 HA3 GLY 46 2HA GLY 46 2.838 18.798 -10.558 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -12.216 5.742 -16.845 2 HA2 GLY 1 1HA GLY 1 -9.833 5.578 -15.568 3 HA3 GLY 1 2HA GLY 1 -10.897 6.203 -14.318 4 H SER 2 H SER 2 -13.118 4.905 -14.348 5 HA SER 2 HA SER 2 -12.336 2.115 -13.949 6 HB2 SER 2 1HB SER 2 -13.402 3.212 -12.050 7 HB3 SER 2 2HB SER 2 -14.794 3.635 -13.046 8 HG SER 2 HG SER 2 -14.667 1.120 -13.364 9 H SER 3 H SER 3 -12.383 1.321 -16.047 10 HA SER 3 HA SER 3 -15.053 1.225 -17.293 11 HB2 SER 3 1HB SER 3 -13.845 0.955 -19.474 12 HB3 SER 3 2HB SER 3 -13.586 2.521 -18.706 13 HG SER 3 HG SER 3 -11.547 2.017 -18.320 14 H GLY 4 H GLY 4 -15.594 -0.692 -16.188 15 HA2 GLY 4 1HA GLY 4 -14.208 -3.073 -17.245 16 HA3 GLY 4 2HA GLY 4 -14.635 -2.961 -15.544 17 H SER 5 H SER 5 -15.500 -4.507 -18.183 18 HA SER 5 HA SER 5 -18.285 -4.064 -18.414 19 HB2 SER 5 1HB SER 5 -16.725 -6.576 -19.067 20 HB3 SER 5 2HB SER 5 -18.329 -6.158 -19.669 21 HG SER 5 HG SER 5 -15.867 -4.873 -20.225 22 H SER 6 H SER 6 -16.468 -6.664 -16.786 23 HA SER 6 HA SER 6 -18.889 -7.454 -15.360 24 HB2 SER 6 1HB SER 6 -16.244 -8.719 -15.904 25 HB3 SER 6 2HB SER 6 -17.102 -9.206 -14.442 26 HG SER 6 HG SER 6 -18.294 -10.396 -15.677 27 H GLY 7 H GLY 7 -18.430 -8.161 -12.983 28 HA2 GLY 7 1HA GLY 7 -17.513 -5.769 -11.616 29 HA3 GLY 7 2HA GLY 7 -18.345 -7.135 -10.888 30 H GLN 8 H GLN 8 -16.182 -5.942 -9.649 31 HA GLN 8 HA GLN 8 -13.876 -7.652 -10.176 32 HB2 GLN 8 1HB GLN 8 -13.885 -5.070 -9.627 33 HB3 GLN 8 2HB GLN 8 -13.934 -5.643 -7.965 34 HG2 GLN 8 1HG GLN 8 -11.830 -6.522 -8.055 35 HG3 GLN 8 2HG GLN 8 -11.899 -6.794 -9.796 36 HE21 GLN 8 1HE2 GLN 8 -9.668 -5.711 -8.757 37 HE22 GLN 8 2HE2 GLN 8 -9.547 -4.040 -9.177 38 H LYS 9 H LYS 9 -13.571 -9.482 -9.110 39 HA LYS 9 HA LYS 9 -15.135 -10.004 -6.695 40 HB2 LYS 9 1HB LYS 9 -15.313 -11.711 -8.370 41 HB3 LYS 9 2HB LYS 9 -13.565 -11.809 -8.537 42 HG2 LYS 9 1HG LYS 9 -13.311 -12.916 -6.500 43 HG3 LYS 9 2HG LYS 9 -14.917 -12.441 -5.940 44 HD2 LYS 9 1HD LYS 9 -14.593 -14.169 -8.367 45 HD3 LYS 9 2HD LYS 9 -14.533 -14.871 -6.748 46 HE2 LYS 9 1HE LYS 9 -16.786 -13.060 -7.512 47 HE3 LYS 9 2HE LYS 9 -16.798 -14.744 -8.032 48 HZ1 LYS 9 3HZ LYS 9 -17.519 -13.704 -5.542 49 HZ2 LYS 9 1HZ LYS 9 -16.139 -14.656 -5.310 50 HZ3 LYS 9 2HZ LYS 9 -17.514 -15.322 -6.035 51 H GLU 10 H GLU 10 -11.782 -10.476 -7.825 52 HA GLU 10 HA GLU 10 -10.806 -10.875 -5.157 53 HB2 GLU 10 1HB GLU 10 -9.472 -10.574 -7.839 54 HB3 GLU 10 2HB GLU 10 -8.542 -10.682 -6.351 55 HG2 GLU 10 1HG GLU 10 -10.033 -12.828 -5.990 56 HG3 GLU 10 2HG GLU 10 -10.139 -12.754 -7.748 57 H LYS 11 H LYS 11 -9.269 -9.531 -4.069 58 HA LYS 11 HA LYS 11 -9.726 -6.679 -4.596 59 HB2 LYS 11 1HB LYS 11 -10.185 -7.909 -2.313 60 HB3 LYS 11 2HB LYS 11 -8.455 -7.695 -2.085 61 HG2 LYS 11 1HG LYS 11 -9.373 -5.838 -1.049 62 HG3 LYS 11 2HG LYS 11 -8.895 -5.224 -2.633 63 HD2 LYS 11 1HD LYS 11 -11.059 -4.372 -2.261 64 HD3 LYS 11 2HD LYS 11 -11.277 -5.725 -3.374 65 HE2 LYS 11 1HE LYS 11 -12.975 -5.840 -1.682 66 HE3 LYS 11 2HE LYS 11 -11.838 -7.163 -1.430 67 HZ1 LYS 11 3HZ LYS 11 -11.137 -4.779 0.007 68 HZ2 LYS 11 1HZ LYS 11 -11.267 -6.373 0.558 69 HZ3 LYS 11 2HZ LYS 11 -12.645 -5.398 0.461 70 H CYS 12 H CYS 12 -8.155 -5.549 -5.512 71 HA CYS 12 HA CYS 12 -5.366 -6.257 -4.939 72 HB2 CYS 12 1HB CYS 12 -4.758 -5.944 -7.294 73 HB3 CYS 12 2HB CYS 12 -5.923 -7.250 -7.111 74 HG CYS 12 HG CYS 12 -6.240 -4.303 -8.697 75 H PHE 13 H PHE 13 -4.223 -4.554 -4.305 76 HA PHE 13 HA PHE 13 -5.286 -1.872 -4.883 77 HB2 PHE 13 1HB PHE 13 -3.495 -2.808 -2.631 78 HB3 PHE 13 2HB PHE 13 -4.000 -1.141 -2.888 79 HD1 PHE 13 HD2 PHE 13 -5.359 -4.552 -2.312 80 HD2 PHE 13 HD1 PHE 13 -5.949 -0.355 -1.917 81 HE1 PHE 13 HE2 PHE 13 -7.386 -4.965 -0.980 82 HE2 PHE 13 HE1 PHE 13 -7.976 -0.762 -0.584 83 HZ PHE 13 HZ PHE 13 -8.698 -3.069 -0.115 84 H LYS 14 H LYS 14 -4.254 -0.876 -6.473 85 HA LYS 14 HA LYS 14 -1.381 -1.389 -6.846 86 HB2 LYS 14 1HB LYS 14 -2.645 -1.947 -8.811 87 HB3 LYS 14 2HB LYS 14 -3.497 -0.408 -8.765 88 HG2 LYS 14 1HG LYS 14 -1.274 0.709 -9.133 89 HG3 LYS 14 2HG LYS 14 -0.610 -0.897 -9.441 90 HD2 LYS 14 1HD LYS 14 -2.507 -1.124 -11.162 91 HD3 LYS 14 2HD LYS 14 -2.661 0.628 -11.015 92 HE2 LYS 14 1HE LYS 14 -0.501 0.998 -11.849 93 HE3 LYS 14 2HE LYS 14 -0.018 -0.676 -11.582 94 HZ1 LYS 14 3HZ LYS 14 -0.377 -0.636 -13.834 95 HZ2 LYS 14 1HZ LYS 14 -1.664 0.458 -13.737 96 HZ3 LYS 14 2HZ LYS 14 -1.891 -1.156 -13.287 97 H CYS 15 H CYS 15 0.073 0.229 -6.704 98 HA CYS 15 HA CYS 15 -0.716 2.685 -5.490 99 HB2 CYS 15 1HB CYS 15 1.511 1.368 -5.248 100 HB3 CYS 15 2HB CYS 15 1.989 2.221 -6.712 101 H ASN 16 H ASN 16 0.237 4.805 -6.392 102 HA ASN 16 HA ASN 16 -0.637 5.028 -9.189 103 HB2 ASN 16 1HB ASN 16 -0.468 7.095 -6.987 104 HB3 ASN 16 2HB ASN 16 -0.884 7.469 -8.657 105 HD21 ASN 16 1HD2 ASN 16 -1.963 6.184 -5.666 106 HD22 ASN 16 2HD2 ASN 16 -3.607 5.913 -6.123 107 H LYS 17 H LYS 17 1.767 6.455 -6.974 108 HA LYS 17 HA LYS 17 3.352 7.686 -8.903 109 HB2 LYS 17 1HB LYS 17 4.288 6.469 -6.298 110 HB3 LYS 17 2HB LYS 17 5.118 7.713 -7.223 111 HG2 LYS 17 1HG LYS 17 2.353 8.116 -6.127 112 HG3 LYS 17 2HG LYS 17 3.805 8.462 -5.186 113 HD2 LYS 17 1HD LYS 17 3.545 9.602 -7.932 114 HD3 LYS 17 2HD LYS 17 2.645 10.341 -6.605 115 HE2 LYS 17 1HE LYS 17 4.627 10.837 -5.415 116 HE3 LYS 17 2HE LYS 17 5.600 9.798 -6.455 117 HZ1 LYS 17 3HZ LYS 17 5.477 12.421 -6.752 118 HZ2 LYS 17 1HZ LYS 17 4.188 11.985 -7.758 119 HZ3 LYS 17 2HZ LYS 17 5.735 11.368 -8.051 120 H CYS 18 H CYS 18 4.322 4.727 -7.169 121 HA CYS 18 HA CYS 18 6.141 3.987 -9.253 122 HB2 CYS 18 1HB CYS 18 6.586 2.013 -7.891 123 HB3 CYS 18 2HB CYS 18 6.575 3.457 -6.884 124 H GLU 19 H GLU 19 2.931 2.953 -8.231 125 HA GLU 19 HA GLU 19 1.292 1.855 -9.386 126 HB2 GLU 19 1HB GLU 19 3.176 1.535 -11.712 127 HB3 GLU 19 2HB GLU 19 1.418 1.572 -11.729 128 HG2 GLU 19 1HG GLU 19 1.394 3.913 -11.261 129 HG3 GLU 19 2HG GLU 19 3.135 3.927 -10.990 130 H LYS 20 H LYS 20 2.836 0.483 -7.601 131 HA LYS 20 HA LYS 20 3.403 -2.094 -8.896 132 HB2 LYS 20 1HB LYS 20 4.336 -0.846 -6.325 133 HB3 LYS 20 2HB LYS 20 4.454 -2.582 -6.582 134 HG2 LYS 20 1HG LYS 20 5.697 -1.981 -8.742 135 HG3 LYS 20 2HG LYS 20 5.853 -0.370 -8.038 136 HD2 LYS 20 1HD LYS 20 7.782 -1.305 -7.257 137 HD3 LYS 20 2HD LYS 20 6.692 -1.770 -5.949 138 HE2 LYS 20 1HE LYS 20 6.946 -3.598 -8.279 139 HE3 LYS 20 2HE LYS 20 8.288 -3.520 -7.138 140 HZ1 LYS 20 3HZ LYS 20 6.026 -5.025 -6.869 141 HZ2 LYS 20 1HZ LYS 20 5.764 -3.725 -5.818 142 HZ3 LYS 20 2HZ LYS 20 7.147 -4.684 -5.649 143 H THR 21 H THR 21 2.297 -3.909 -8.367 144 HA THR 21 HA THR 21 -0.200 -3.592 -6.981 145 HB THR 21 HB THR 21 -0.470 -6.052 -7.464 146 HG1 THR 21 HG1 THR 21 1.767 -5.841 -9.161 147 HG21 THR 21 3HG2 THR 21 -1.186 -4.159 -8.993 148 HG22 THR 21 1HG2 THR 21 -0.956 -5.729 -9.761 149 HG23 THR 21 2HG2 THR 21 0.278 -4.479 -9.922 150 H PHE 22 H PHE 22 -0.787 -4.351 -5.004 151 HA PHE 22 HA PHE 22 1.291 -5.706 -3.415 152 HB2 PHE 22 1HB PHE 22 -0.608 -3.523 -2.536 153 HB3 PHE 22 2HB PHE 22 0.386 -4.467 -1.431 154 HD1 PHE 22 HD1 PHE 22 2.849 -4.263 -1.508 155 HD2 PHE 22 HD2 PHE 22 0.301 -1.738 -3.799 156 HE1 PHE 22 HE1 PHE 22 4.709 -2.685 -1.830 157 HE2 PHE 22 HE2 PHE 22 2.157 -0.157 -4.126 158 HZ PHE 22 HZ PHE 22 4.365 -0.629 -3.142 159 H SER 23 H SER 23 0.193 -6.584 -1.292 160 HA SER 23 HA SER 23 -1.781 -8.479 -2.180 161 HB2 SER 23 1HB SER 23 -0.563 -8.057 0.560 162 HB3 SER 23 2HB SER 23 -1.553 -9.436 0.082 163 HG SER 23 HG SER 23 1.089 -8.877 -0.472 164 H CYS 24 H CYS 24 -1.710 -6.268 0.622 165 HA CYS 24 HA CYS 24 -4.623 -5.951 0.312 166 HB2 CYS 24 1HB CYS 24 -4.731 -5.630 2.766 167 HB3 CYS 24 2HB CYS 24 -4.140 -7.227 2.321 168 HG CYS 24 HG CYS 24 -2.596 -6.661 4.447 169 H SER 25 H SER 25 -5.282 -3.909 1.764 170 HA SER 25 HA SER 25 -4.199 -1.665 0.401 171 HB2 SER 25 1HB SER 25 -6.568 -1.860 1.218 172 HB3 SER 25 2HB SER 25 -5.963 -1.631 2.859 173 HG SER 25 HG SER 25 -5.559 0.196 0.725 174 H LYS 26 H LYS 26 -4.003 -2.770 3.772 175 HA LYS 26 HA LYS 26 -2.654 -0.795 5.013 176 HB2 LYS 26 1HB LYS 26 -3.245 -2.957 6.055 177 HB3 LYS 26 2HB LYS 26 -1.919 -3.723 5.191 178 HG2 LYS 26 1HG LYS 26 -1.300 -1.381 6.907 179 HG3 LYS 26 2HG LYS 26 -1.673 -2.920 7.688 180 HD2 LYS 26 1HD LYS 26 0.050 -3.872 5.966 181 HD3 LYS 26 2HD LYS 26 0.607 -2.198 5.896 182 HE2 LYS 26 1HE LYS 26 1.916 -3.321 7.540 183 HE3 LYS 26 2HE LYS 26 0.802 -2.252 8.391 184 HZ1 LYS 26 3HZ LYS 26 -0.633 -4.479 8.331 185 HZ2 LYS 26 1HZ LYS 26 0.439 -4.109 9.588 186 HZ3 LYS 26 2HZ LYS 26 0.917 -5.156 8.349 187 H TYR 27 H TYR 27 -1.000 -3.380 3.192 188 HA TYR 27 HA TYR 27 1.579 -2.408 3.366 189 HB2 TYR 27 1HB TYR 27 0.134 -4.154 1.440 190 HB3 TYR 27 2HB TYR 27 1.701 -3.527 0.940 191 HD1 TYR 27 HD2 TYR 27 0.046 -5.329 3.754 192 HD2 TYR 27 HD1 TYR 27 3.641 -4.634 1.587 193 HE1 TYR 27 HE2 TYR 27 1.158 -7.104 5.043 194 HE2 TYR 27 HE1 TYR 27 4.763 -6.408 2.869 195 HH TYR 27 HH TYR 27 4.516 -8.032 4.371 196 H LEU 28 H LEU 28 -0.975 -1.534 1.095 197 HA LEU 28 HA LEU 28 0.658 0.130 -0.538 198 HB2 LEU 28 1HB LEU 28 -1.405 -0.822 -1.377 199 HB3 LEU 28 2HB LEU 28 -2.331 0.047 -0.155 200 HG LEU 28 HG LEU 28 -1.794 2.164 -1.221 201 HD11 LEU 28 1HD1 LEU 28 -0.731 1.926 -3.578 202 HD12 LEU 28 2HD1 LEU 28 -0.054 0.435 -2.925 203 HD13 LEU 28 3HD1 LEU 28 0.307 1.979 -2.153 204 HD21 LEU 28 3HD2 LEU 28 -3.709 0.643 -1.989 205 HD22 LEU 28 1HD2 LEU 28 -2.706 0.319 -3.403 206 HD23 LEU 28 2HD2 LEU 28 -3.230 1.967 -3.053 207 H THR 29 H THR 29 -1.370 0.677 2.285 208 HA THR 29 HA THR 29 -1.374 3.488 2.234 209 HB THR 29 HB THR 29 -1.503 1.707 4.675 210 HG1 THR 29 HG1 THR 29 -3.113 1.591 2.729 211 HG21 THR 29 3HG2 THR 29 -2.525 4.513 4.221 212 HG22 THR 29 1HG2 THR 29 -1.104 4.084 5.172 213 HG23 THR 29 2HG2 THR 29 -2.705 3.566 5.697 214 H GLN 30 H GLN 30 0.567 1.342 4.328 215 HA GLN 30 HA GLN 30 2.266 3.334 5.303 216 HB2 GLN 30 1HB GLN 30 2.352 0.366 5.161 217 HB3 GLN 30 2HB GLN 30 3.860 1.200 5.509 218 HG2 GLN 30 1HG GLN 30 2.399 2.446 7.290 219 HG3 GLN 30 2HG GLN 30 1.371 1.023 7.127 220 HE21 GLN 30 1HE2 GLN 30 1.733 0.018 9.012 221 HE22 GLN 30 2HE2 GLN 30 3.278 -0.530 9.555 222 H HIS 31 H HIS 31 2.503 1.297 2.438 223 HA HIS 31 HA HIS 31 5.143 1.966 1.722 224 HB2 HIS 31 1HB HIS 31 4.306 0.098 0.608 225 HB3 HIS 31 2HB HIS 31 2.778 0.887 0.226 226 HD1 HIS 31 HD1 HIS 31 6.039 0.096 -1.181 227 HD2 HIS 31 HD2 HIS 31 3.047 2.890 -1.890 228 HE1 HIS 31 HE1 HIS 31 6.501 1.007 -3.479 229 H GLU 32 H GLU 32 2.070 3.197 0.386 230 HA GLU 32 HA GLU 32 2.819 5.052 -1.370 231 HB2 GLU 32 1HB GLU 32 0.724 5.167 0.762 232 HB3 GLU 32 2HB GLU 32 1.002 6.584 -0.241 233 HG2 GLU 32 1HG GLU 32 0.628 3.963 -1.584 234 HG3 GLU 32 2HG GLU 32 -0.780 4.760 -0.884 235 H ARG 33 H ARG 33 3.348 5.276 2.081 236 HA ARG 33 HA ARG 33 3.982 7.944 2.387 237 HB2 ARG 33 1HB ARG 33 5.213 5.520 3.703 238 HB3 ARG 33 2HB ARG 33 5.510 7.172 4.227 239 HG2 ARG 33 1HG ARG 33 2.924 7.311 4.396 240 HG3 ARG 33 2HG ARG 33 3.014 5.548 4.418 241 HD2 ARG 33 1HD ARG 33 4.570 5.680 6.325 242 HD3 ARG 33 2HD ARG 33 4.402 7.435 6.318 243 HE ARG 33 HE ARG 33 1.929 5.956 6.575 244 HH11 ARG 33 1HH1 ARG 33 4.561 7.543 8.210 245 HH12 ARG 33 2HH1 ARG 33 3.676 7.780 9.681 246 HH21 ARG 33 1HH2 ARG 33 0.754 6.262 8.506 247 HH22 ARG 33 2HH2 ARG 33 1.511 7.050 9.848 248 H ILE 34 H ILE 34 6.171 5.291 1.471 249 HA ILE 34 HA ILE 34 8.573 6.499 1.297 250 HB ILE 34 HB ILE 34 9.200 5.017 -0.469 251 HG12 ILE 34 1HG1 ILE 34 6.400 4.139 -1.001 252 HG13 ILE 34 2HG1 ILE 34 6.941 5.650 -1.725 253 HG21 ILE 34 1HG2 ILE 34 8.675 4.027 1.742 254 HG22 ILE 34 2HG2 ILE 34 7.061 3.642 1.148 255 HG23 ILE 34 3HG2 ILE 34 8.475 2.895 0.404 256 HD11 ILE 34 3HD1 ILE 34 8.367 4.616 -3.147 257 HD12 ILE 34 1HD1 ILE 34 8.698 3.290 -2.032 258 HD13 ILE 34 2HD1 ILE 34 7.190 3.318 -2.947 259 H HIS 35 H HIS 35 5.797 7.244 -0.624 260 HA HIS 35 HA HIS 35 7.347 8.835 -2.514 261 HB2 HIS 35 1HB HIS 35 4.353 8.427 -2.366 262 HB3 HIS 35 2HB HIS 35 5.247 9.155 -3.698 263 HD1 HIS 35 HD1 HIS 35 7.387 7.201 -4.320 264 HD2 HIS 35 HD2 HIS 35 3.567 5.994 -3.216 265 HE1 HIS 35 HE1 HIS 35 7.136 4.863 -5.213 266 H THR 36 H THR 36 8.112 10.398 -1.000 267 HA THR 36 HA THR 36 6.194 12.552 -0.575 268 HB THR 36 HB THR 36 7.300 12.861 1.773 269 HG1 THR 36 HG1 THR 36 7.404 10.035 1.649 270 HG21 THR 36 3HG2 THR 36 4.947 12.517 1.560 271 HG22 THR 36 1HG2 THR 36 5.530 11.383 2.777 272 HG23 THR 36 2HG2 THR 36 5.173 10.818 1.145 273 H ARG 37 H ARG 37 7.060 14.498 -0.979 274 HA ARG 37 HA ARG 37 9.996 14.679 -1.159 275 HB2 ARG 37 1HB ARG 37 9.052 14.792 -3.373 276 HB3 ARG 37 2HB ARG 37 7.881 16.000 -2.863 277 HG2 ARG 37 1HG ARG 37 9.396 17.350 -3.881 278 HG3 ARG 37 2HG ARG 37 10.067 17.347 -2.249 279 HD2 ARG 37 1HD ARG 37 11.875 16.974 -3.742 280 HD3 ARG 37 2HD ARG 37 11.526 15.432 -2.962 281 HE ARG 37 HE ARG 37 10.066 15.422 -5.289 282 HH11 ARG 37 1HH1 ARG 37 13.426 15.732 -4.432 283 HH12 ARG 37 2HH1 ARG 37 14.001 15.011 -5.899 284 HH21 ARG 37 1HH2 ARG 37 10.811 14.473 -7.224 285 HH22 ARG 37 2HH2 ARG 37 12.513 14.297 -7.487 286 H GLY 38 H GLY 38 10.954 16.167 0.073 287 HA2 GLY 38 1HA GLY 38 10.768 18.632 0.682 288 HA3 GLY 38 2HA GLY 38 9.227 18.167 1.387 289 H VAL 39 H VAL 39 10.206 19.131 3.336 290 HA VAL 39 HA VAL 39 12.449 18.050 4.626 291 HB VAL 39 HB VAL 39 11.541 19.046 6.692 292 HG11 VAL 39 1HG1 VAL 39 12.542 20.843 5.848 293 HG12 VAL 39 2HG1 VAL 39 12.054 20.419 4.207 294 HG13 VAL 39 3HG1 VAL 39 10.968 21.352 5.238 295 HG21 VAL 39 3HG2 VAL 39 9.177 20.012 5.128 296 HG22 VAL 39 1HG2 VAL 39 9.127 18.464 5.972 297 HG23 VAL 39 2HG2 VAL 39 9.410 19.952 6.875 298 H LYS 40 H LYS 40 12.696 16.480 6.191 299 HA LYS 40 HA LYS 40 10.627 14.423 6.213 300 HB2 LYS 40 1HB LYS 40 13.486 14.410 7.194 301 HB3 LYS 40 2HB LYS 40 12.396 13.034 7.304 302 HG2 LYS 40 1HG LYS 40 13.475 12.496 5.384 303 HG3 LYS 40 2HG LYS 40 12.166 13.468 4.706 304 HD2 LYS 40 1HD LYS 40 14.108 14.272 3.663 305 HD3 LYS 40 2HD LYS 40 13.759 15.453 4.928 306 HE2 LYS 40 1HE LYS 40 16.067 15.068 5.087 307 HE3 LYS 40 2HE LYS 40 15.361 14.110 6.388 308 HZ1 LYS 40 3HZ LYS 40 15.380 12.254 4.591 309 HZ2 LYS 40 1HZ LYS 40 16.798 12.621 5.439 310 HZ3 LYS 40 2HZ LYS 40 16.575 13.210 3.869 311 H SER 41 H SER 41 12.480 16.424 8.471 312 HA SER 41 HA SER 41 10.626 15.615 10.611 313 HB2 SER 41 1HB SER 41 13.186 15.245 10.832 314 HB3 SER 41 2HB SER 41 13.258 16.986 11.102 315 HG SER 41 HG SER 41 12.945 15.402 12.971 316 H GLY 42 H GLY 42 9.054 17.054 10.885 317 HA2 GLY 42 1HA GLY 42 9.390 19.819 10.121 318 HA3 GLY 42 2HA GLY 42 7.932 19.083 10.769 319 HA PRO 43 HA PRO 43 9.586 21.857 14.051 320 HB2 PRO 43 1HB PRO 43 7.144 22.750 14.829 321 HB3 PRO 43 2HB PRO 43 8.050 23.471 13.494 322 HG2 PRO 43 1HG PRO 43 5.805 21.492 13.409 323 HG3 PRO 43 2HG PRO 43 6.076 22.920 12.394 324 HD2 PRO 43 1HD PRO 43 6.666 20.411 11.565 325 HD3 PRO 43 2HD PRO 43 7.597 21.831 11.048 326 H SER 44 H SER 44 9.526 21.586 16.289 327 HA SER 44 HA SER 44 8.560 19.002 17.169 328 HB2 SER 44 1HB SER 44 9.825 19.424 19.196 329 HB3 SER 44 2HB SER 44 10.819 19.846 17.802 330 HG SER 44 HG SER 44 9.247 21.819 19.036 331 H SER 45 H SER 45 6.451 20.668 16.517 332 HA SER 45 HA SER 45 5.413 21.922 18.894 333 HB2 SER 45 1HB SER 45 4.817 22.906 16.779 334 HB3 SER 45 2HB SER 45 4.188 21.369 16.184 335 HG SER 45 HG SER 45 2.582 21.507 17.832 336 H GLY 46 H GLY 46 4.397 19.142 16.898 337 HA2 GLY 46 1HA GLY 46 3.987 17.064 18.264 338 HA3 GLY 46 2HA GLY 46 2.990 18.098 19.277 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -33.157 -1.653 -15.678 2 HA2 GLY 1 1HA GLY 1 -34.047 -2.840 -13.268 3 HA3 GLY 1 2HA GLY 1 -33.712 -4.095 -14.452 4 H SER 2 H SER 2 -31.927 -4.987 -13.526 5 HA SER 2 HA SER 2 -29.779 -3.411 -12.482 6 HB2 SER 2 1HB SER 2 -29.987 -6.363 -13.117 7 HB3 SER 2 2HB SER 2 -28.595 -5.619 -12.329 8 HG SER 2 HG SER 2 -29.723 -5.362 -10.537 9 H SER 3 H SER 3 -27.867 -2.854 -13.401 10 HA SER 3 HA SER 3 -27.712 -2.623 -16.202 11 HB2 SER 3 1HB SER 3 -25.465 -1.749 -15.833 12 HB3 SER 3 2HB SER 3 -26.566 -1.094 -14.621 13 HG SER 3 HG SER 3 -25.607 -2.252 -13.092 14 H GLY 4 H GLY 4 -26.134 -4.840 -13.927 15 HA2 GLY 4 1HA GLY 4 -25.890 -6.845 -15.978 16 HA3 GLY 4 2HA GLY 4 -24.346 -6.150 -15.509 17 H SER 5 H SER 5 -25.368 -8.890 -15.194 18 HA SER 5 HA SER 5 -26.153 -9.488 -12.598 19 HB2 SER 5 1HB SER 5 -24.550 -11.035 -14.628 20 HB3 SER 5 2HB SER 5 -24.941 -11.715 -13.049 21 HG SER 5 HG SER 5 -26.991 -11.877 -13.606 22 H SER 6 H SER 6 -24.797 -10.630 -10.937 23 HA SER 6 HA SER 6 -22.205 -9.257 -10.641 24 HB2 SER 6 1HB SER 6 -24.168 -10.071 -8.484 25 HB3 SER 6 2HB SER 6 -22.583 -9.355 -8.193 26 HG SER 6 HG SER 6 -23.585 -7.681 -9.789 27 H GLY 7 H GLY 7 -20.571 -10.624 -10.891 28 HA2 GLY 7 1HA GLY 7 -20.951 -13.441 -10.125 29 HA3 GLY 7 2HA GLY 7 -19.746 -12.849 -11.260 30 H GLN 8 H GLN 8 -17.757 -13.013 -10.496 31 HA GLN 8 HA GLN 8 -17.333 -12.634 -7.605 32 HB2 GLN 8 1HB GLN 8 -16.181 -14.554 -9.564 33 HB3 GLN 8 2HB GLN 8 -15.120 -13.959 -8.294 34 HG2 GLN 8 1HG GLN 8 -16.084 -16.009 -7.564 35 HG3 GLN 8 2HG GLN 8 -16.797 -14.700 -6.623 36 HE21 GLN 8 1HE2 GLN 8 -18.649 -15.799 -6.104 37 HE22 GLN 8 2HE2 GLN 8 -19.865 -16.201 -7.263 38 H LYS 9 H LYS 9 -15.336 -11.630 -6.954 39 HA LYS 9 HA LYS 9 -13.836 -10.183 -8.979 40 HB2 LYS 9 1HB LYS 9 -14.176 -8.004 -7.868 41 HB3 LYS 9 2HB LYS 9 -15.668 -8.652 -8.537 42 HG2 LYS 9 1HG LYS 9 -16.155 -9.535 -6.208 43 HG3 LYS 9 2HG LYS 9 -14.826 -8.511 -5.660 44 HD2 LYS 9 1HD LYS 9 -16.938 -7.294 -7.368 45 HD3 LYS 9 2HD LYS 9 -17.324 -7.645 -5.682 46 HE2 LYS 9 1HE LYS 9 -16.528 -5.455 -5.625 47 HE3 LYS 9 2HE LYS 9 -15.136 -6.419 -5.136 48 HZ1 LYS 9 3HZ LYS 9 -15.332 -5.969 -7.979 49 HZ2 LYS 9 1HZ LYS 9 -13.996 -5.831 -6.950 50 HZ3 LYS 9 2HZ LYS 9 -15.103 -4.559 -7.074 51 H GLU 10 H GLU 10 -11.750 -9.906 -8.413 52 HA GLU 10 HA GLU 10 -10.922 -10.939 -5.820 53 HB2 GLU 10 1HB GLU 10 -9.526 -10.373 -8.409 54 HB3 GLU 10 2HB GLU 10 -8.588 -10.525 -6.930 55 HG2 GLU 10 1HG GLU 10 -9.820 -12.753 -6.616 56 HG3 GLU 10 2HG GLU 10 -10.251 -12.589 -8.317 57 H LYS 11 H LYS 11 -9.615 -9.811 -4.365 58 HA LYS 11 HA LYS 11 -9.933 -6.909 -4.495 59 HB2 LYS 11 1HB LYS 11 -10.671 -7.987 -2.447 60 HB3 LYS 11 2HB LYS 11 -9.092 -8.733 -2.235 61 HG2 LYS 11 1HG LYS 11 -8.294 -6.214 -2.284 62 HG3 LYS 11 2HG LYS 11 -9.954 -5.937 -1.751 63 HD2 LYS 11 1HD LYS 11 -8.179 -7.961 -0.418 64 HD3 LYS 11 2HD LYS 11 -8.168 -6.259 0.053 65 HE2 LYS 11 1HE LYS 11 -10.775 -6.628 0.162 66 HE3 LYS 11 2HE LYS 11 -10.302 -8.313 0.371 67 HZ1 LYS 11 3HZ LYS 11 -8.712 -6.735 2.049 68 HZ2 LYS 11 1HZ LYS 11 -9.868 -7.891 2.484 69 HZ3 LYS 11 2HZ LYS 11 -10.322 -6.274 2.284 70 H CYS 12 H CYS 12 -8.310 -5.588 -4.984 71 HA CYS 12 HA CYS 12 -5.573 -6.274 -4.348 72 HB2 CYS 12 1HB CYS 12 -6.549 -6.044 -7.192 73 HB3 CYS 12 2HB CYS 12 -4.863 -5.794 -6.756 74 HG CYS 12 HG CYS 12 -5.741 -8.604 -5.398 75 H PHE 13 H PHE 13 -4.077 -4.451 -5.187 76 HA PHE 13 HA PHE 13 -5.377 -1.872 -5.437 77 HB2 PHE 13 1HB PHE 13 -3.570 -2.477 -3.087 78 HB3 PHE 13 2HB PHE 13 -4.234 -0.898 -3.493 79 HD1 PHE 13 HD1 PHE 13 -6.704 -0.543 -3.361 80 HD2 PHE 13 HD2 PHE 13 -4.813 -4.047 -1.857 81 HE1 PHE 13 HE1 PHE 13 -8.696 -1.030 -2.002 82 HE2 PHE 13 HE2 PHE 13 -6.802 -4.540 -0.496 83 HZ PHE 13 HZ PHE 13 -8.748 -3.032 -0.568 84 H LYS 14 H LYS 14 -4.144 -0.404 -6.503 85 HA LYS 14 HA LYS 14 -1.347 -1.146 -7.058 86 HB2 LYS 14 1HB LYS 14 -2.533 -1.583 -9.069 87 HB3 LYS 14 2HB LYS 14 -3.457 -0.093 -8.935 88 HG2 LYS 14 1HG LYS 14 -1.680 1.224 -9.628 89 HG3 LYS 14 2HG LYS 14 -0.483 -0.012 -9.234 90 HD2 LYS 14 1HD LYS 14 -2.543 -0.528 -11.343 91 HD3 LYS 14 2HD LYS 14 -1.106 0.426 -11.720 92 HE2 LYS 14 1HE LYS 14 0.264 -1.473 -10.807 93 HE3 LYS 14 2HE LYS 14 -1.223 -2.415 -10.724 94 HZ1 LYS 14 3HZ LYS 14 -1.049 -2.882 -12.867 95 HZ2 LYS 14 1HZ LYS 14 0.450 -2.098 -12.907 96 HZ3 LYS 14 2HZ LYS 14 -0.962 -1.244 -13.281 97 H CYS 15 H CYS 15 0.136 0.383 -6.692 98 HA CYS 15 HA CYS 15 -0.518 2.775 -5.371 99 HB2 CYS 15 1HB CYS 15 1.720 1.394 -5.478 100 HB3 CYS 15 2HB CYS 15 2.086 2.477 -6.817 101 H ASN 16 H ASN 16 0.530 4.931 -6.221 102 HA ASN 16 HA ASN 16 -0.625 5.402 -8.884 103 HB2 ASN 16 1HB ASN 16 -0.135 7.303 -6.582 104 HB3 ASN 16 2HB ASN 16 -0.725 7.798 -8.166 105 HD21 ASN 16 1HD2 ASN 16 -1.443 5.542 -5.533 106 HD22 ASN 16 2HD2 ASN 16 -3.161 5.669 -5.662 107 H LYS 17 H LYS 17 2.120 6.326 -6.823 108 HA LYS 17 HA LYS 17 3.546 7.653 -8.891 109 HB2 LYS 17 1HB LYS 17 4.540 6.478 -6.288 110 HB3 LYS 17 2HB LYS 17 5.459 7.560 -7.326 111 HG2 LYS 17 1HG LYS 17 2.791 8.450 -6.362 112 HG3 LYS 17 2HG LYS 17 4.146 8.450 -5.231 113 HD2 LYS 17 1HD LYS 17 5.293 10.069 -6.397 114 HD3 LYS 17 2HD LYS 17 4.513 9.669 -7.929 115 HE2 LYS 17 1HE LYS 17 3.580 11.726 -7.332 116 HE3 LYS 17 2HE LYS 17 2.365 10.546 -6.845 117 HZ1 LYS 17 3HZ LYS 17 3.317 12.482 -5.257 118 HZ2 LYS 17 1HZ LYS 17 4.313 11.191 -4.809 119 HZ3 LYS 17 2HZ LYS 17 2.632 11.043 -4.692 120 H CYS 18 H CYS 18 4.668 4.760 -7.154 121 HA CYS 18 HA CYS 18 6.313 3.913 -9.298 122 HB2 CYS 18 1HB CYS 18 6.616 1.852 -7.968 123 HB3 CYS 18 2HB CYS 18 6.829 3.305 -6.998 124 H GLU 19 H GLU 19 3.029 3.180 -8.345 125 HA GLU 19 HA GLU 19 1.333 2.154 -9.472 126 HB2 GLU 19 1HB GLU 19 3.227 1.729 -11.779 127 HB3 GLU 19 2HB GLU 19 1.471 1.812 -11.822 128 HG2 GLU 19 1HG GLU 19 2.975 4.182 -10.851 129 HG3 GLU 19 2HG GLU 19 2.966 3.835 -12.579 130 H LYS 20 H LYS 20 2.837 0.690 -7.687 131 HA LYS 20 HA LYS 20 3.195 -1.929 -8.967 132 HB2 LYS 20 1HB LYS 20 4.264 -0.691 -6.457 133 HB3 LYS 20 2HB LYS 20 4.176 -2.443 -6.593 134 HG2 LYS 20 1HG LYS 20 5.466 -2.171 -8.774 135 HG3 LYS 20 2HG LYS 20 5.786 -0.520 -8.237 136 HD2 LYS 20 1HD LYS 20 7.638 -1.646 -7.438 137 HD3 LYS 20 2HD LYS 20 6.565 -1.678 -6.037 138 HE2 LYS 20 1HE LYS 20 5.794 -3.936 -6.784 139 HE3 LYS 20 2HE LYS 20 7.047 -3.893 -8.024 140 HZ1 LYS 20 3HZ LYS 20 8.521 -4.574 -6.541 141 HZ2 LYS 20 1HZ LYS 20 7.300 -4.699 -5.376 142 HZ3 LYS 20 2HZ LYS 20 8.182 -3.264 -5.526 143 H THR 21 H THR 21 2.162 -3.767 -8.177 144 HA THR 21 HA THR 21 -0.357 -3.232 -6.821 145 HB THR 21 HB THR 21 -0.790 -5.688 -7.330 146 HG1 THR 21 HG1 THR 21 1.297 -5.494 -9.208 147 HG21 THR 21 3HG2 THR 21 -1.611 -5.179 -9.425 148 HG22 THR 21 1HG2 THR 21 -0.191 -4.234 -9.870 149 HG23 THR 21 2HG2 THR 21 -1.380 -3.565 -8.753 150 H PHE 22 H PHE 22 -0.974 -4.091 -4.874 151 HA PHE 22 HA PHE 22 1.110 -5.517 -3.355 152 HB2 PHE 22 1HB PHE 22 -0.827 -3.403 -2.398 153 HB3 PHE 22 2HB PHE 22 0.149 -4.394 -1.319 154 HD1 PHE 22 HD2 PHE 22 0.517 -2.134 -4.259 155 HD2 PHE 22 HD1 PHE 22 2.192 -3.596 -0.630 156 HE1 PHE 22 HE2 PHE 22 2.370 -0.530 -4.472 157 HE2 PHE 22 HE1 PHE 22 4.047 -1.993 -0.836 158 HZ PHE 22 HZ PHE 22 4.139 -0.458 -2.760 159 H SER 23 H SER 23 0.265 -6.836 -1.548 160 HA SER 23 HA SER 23 -2.022 -8.370 -2.458 161 HB2 SER 23 1HB SER 23 0.077 -8.785 -0.341 162 HB3 SER 23 2HB SER 23 -1.358 -9.807 -0.411 163 HG SER 23 HG SER 23 0.359 -9.382 -2.625 164 H CYS 24 H CYS 24 -1.046 -6.629 0.484 165 HA CYS 24 HA CYS 24 -3.818 -6.757 1.435 166 HB2 CYS 24 1HB CYS 24 -1.823 -7.452 2.897 167 HB3 CYS 24 2HB CYS 24 -1.462 -5.734 3.008 168 HG CYS 24 HG CYS 24 -2.715 -6.208 5.351 169 H SER 25 H SER 25 -4.586 -4.755 2.609 170 HA SER 25 HA SER 25 -4.297 -2.506 0.814 171 HB2 SER 25 1HB SER 25 -6.481 -3.386 1.932 172 HB3 SER 25 2HB SER 25 -5.941 -2.455 3.329 173 HG SER 25 HG SER 25 -6.603 -0.731 2.349 174 H LYS 26 H LYS 26 -4.096 -2.884 4.357 175 HA LYS 26 HA LYS 26 -3.019 -0.407 4.950 176 HB2 LYS 26 1HB LYS 26 -2.325 -1.337 7.050 177 HB3 LYS 26 2HB LYS 26 -3.850 -2.089 6.603 178 HG2 LYS 26 1HG LYS 26 -2.865 -4.130 6.154 179 HG3 LYS 26 2HG LYS 26 -1.266 -3.421 5.914 180 HD2 LYS 26 1HD LYS 26 -0.978 -4.351 7.984 181 HD3 LYS 26 2HD LYS 26 -1.562 -2.752 8.450 182 HE2 LYS 26 1HE LYS 26 -3.356 -5.147 8.100 183 HE3 LYS 26 2HE LYS 26 -2.640 -4.685 9.644 184 HZ1 LYS 26 3HZ LYS 26 -4.960 -3.681 8.430 185 HZ2 LYS 26 1HZ LYS 26 -3.840 -2.418 8.548 186 HZ3 LYS 26 2HZ LYS 26 -4.300 -3.273 9.933 187 H TYR 27 H TYR 27 -1.515 -3.150 3.488 188 HA TYR 27 HA TYR 27 1.182 -2.517 4.090 189 HB2 TYR 27 1HB TYR 27 -0.218 -4.322 2.185 190 HB3 TYR 27 2HB TYR 27 1.457 -3.915 1.828 191 HD1 TYR 27 HD2 TYR 27 -0.634 -5.051 4.713 192 HD2 TYR 27 HD1 TYR 27 3.102 -5.284 2.690 193 HE1 TYR 27 HE2 TYR 27 0.117 -6.767 6.308 194 HE2 TYR 27 HE1 TYR 27 3.862 -7.001 4.279 195 HH TYR 27 HH TYR 27 2.474 -8.803 5.844 196 H LEU 28 H LEU 28 -0.973 -1.683 1.421 197 HA LEU 28 HA LEU 28 1.024 -0.361 -0.125 198 HB2 LEU 28 1HB LEU 28 -0.943 -1.230 -1.197 199 HB3 LEU 28 2HB LEU 28 -1.985 -0.231 -0.186 200 HG LEU 28 HG LEU 28 -1.075 1.781 -1.297 201 HD11 LEU 28 1HD1 LEU 28 0.467 1.727 -2.994 202 HD12 LEU 28 2HD1 LEU 28 0.120 0.049 -3.407 203 HD13 LEU 28 3HD1 LEU 28 1.062 0.424 -1.965 204 HD21 LEU 28 3HD2 LEU 28 -2.138 1.319 -3.535 205 HD22 LEU 28 1HD2 LEU 28 -3.137 0.963 -2.127 206 HD23 LEU 28 2HD2 LEU 28 -2.347 -0.349 -3.001 207 H THR 29 H THR 29 -1.762 0.930 1.696 208 HA THR 29 HA THR 29 -1.432 3.580 1.532 209 HB THR 29 HB THR 29 -1.904 2.127 4.144 210 HG1 THR 29 HG1 THR 29 -3.416 1.561 2.527 211 HG21 THR 29 3HG2 THR 29 -2.262 4.983 3.294 212 HG22 THR 29 1HG2 THR 29 -1.506 4.346 4.754 213 HG23 THR 29 2HG2 THR 29 -3.259 4.284 4.570 214 H GLN 30 H GLN 30 0.243 1.687 4.056 215 HA GLN 30 HA GLN 30 1.875 3.742 4.984 216 HB2 GLN 30 1HB GLN 30 1.992 0.766 5.078 217 HB3 GLN 30 2HB GLN 30 3.436 1.661 5.532 218 HG2 GLN 30 1HG GLN 30 0.716 2.061 6.756 219 HG3 GLN 30 2HG GLN 30 1.997 1.064 7.445 220 HE21 GLN 30 1HE2 GLN 30 4.190 2.366 7.434 221 HE22 GLN 30 2HE2 GLN 30 4.081 3.925 8.170 222 H HIS 31 H HIS 31 2.420 1.398 2.393 223 HA HIS 31 HA HIS 31 5.090 2.039 1.839 224 HB2 HIS 31 1HB HIS 31 4.410 0.097 0.785 225 HB3 HIS 31 2HB HIS 31 2.865 0.781 0.290 226 HD1 HIS 31 HD1 HIS 31 6.300 0.189 -0.871 227 HD2 HIS 31 HD2 HIS 31 3.038 2.488 -2.026 228 HE1 HIS 31 HE1 HIS 31 6.788 0.910 -3.230 229 H GLU 32 H GLU 32 2.178 3.115 0.073 230 HA GLU 32 HA GLU 32 3.119 4.827 -1.734 231 HB2 GLU 32 1HB GLU 32 0.880 5.487 0.189 232 HB3 GLU 32 2HB GLU 32 1.159 6.284 -1.353 233 HG2 GLU 32 1HG GLU 32 0.828 4.114 -2.488 234 HG3 GLU 32 2HG GLU 32 0.433 3.396 -0.928 235 H ARG 33 H ARG 33 3.245 5.343 1.723 236 HA ARG 33 HA ARG 33 3.818 8.040 1.874 237 HB2 ARG 33 1HB ARG 33 4.997 5.799 3.526 238 HB3 ARG 33 2HB ARG 33 5.046 7.503 3.955 239 HG2 ARG 33 1HG ARG 33 2.505 7.439 3.849 240 HG3 ARG 33 2HG ARG 33 2.668 5.682 3.820 241 HD2 ARG 33 1HD ARG 33 2.477 6.012 6.070 242 HD3 ARG 33 2HD ARG 33 4.227 6.145 5.899 243 HE ARG 33 HE ARG 33 2.978 8.677 5.611 244 HH11 ARG 33 1HH1 ARG 33 3.907 6.306 7.985 245 HH12 ARG 33 2HH1 ARG 33 4.066 7.461 9.266 246 HH21 ARG 33 1HH2 ARG 33 3.184 10.207 7.290 247 HH22 ARG 33 2HH2 ARG 33 3.653 9.679 8.870 248 H ILE 34 H ILE 34 6.123 5.359 1.453 249 HA ILE 34 HA ILE 34 8.519 6.581 1.453 250 HB ILE 34 HB ILE 34 9.352 4.978 -0.111 251 HG12 ILE 34 1HG1 ILE 34 6.612 4.073 -0.894 252 HG13 ILE 34 2HG1 ILE 34 7.297 5.485 -1.690 253 HG21 ILE 34 1HG2 ILE 34 7.043 3.701 1.345 254 HG22 ILE 34 2HG2 ILE 34 8.536 2.918 0.828 255 HG23 ILE 34 3HG2 ILE 34 8.577 4.148 2.092 256 HD11 ILE 34 3HD1 ILE 34 7.668 3.408 -2.939 257 HD12 ILE 34 1HD1 ILE 34 9.176 4.183 -2.456 258 HD13 ILE 34 2HD1 ILE 34 8.589 2.771 -1.577 259 H HIS 35 H HIS 35 5.985 7.124 -0.843 260 HA HIS 35 HA HIS 35 7.723 8.565 -2.678 261 HB2 HIS 35 1HB HIS 35 4.717 8.246 -2.772 262 HB3 HIS 35 2HB HIS 35 5.759 8.808 -4.076 263 HD1 HIS 35 HD1 HIS 35 7.817 6.777 -4.439 264 HD2 HIS 35 HD2 HIS 35 3.959 5.723 -3.315 265 HE1 HIS 35 HE1 HIS 35 7.564 4.360 -5.087 266 H THR 36 H THR 36 8.372 10.190 -1.131 267 HA THR 36 HA THR 36 6.311 12.263 -0.739 268 HB THR 36 HB THR 36 7.765 13.034 1.203 269 HG1 THR 36 HG1 THR 36 9.255 11.603 1.996 270 HG21 THR 36 3HG2 THR 36 5.894 10.814 1.049 271 HG22 THR 36 1HG2 THR 36 5.992 12.126 2.223 272 HG23 THR 36 2HG2 THR 36 6.979 10.680 2.432 273 H ARG 37 H ARG 37 6.812 13.304 -2.690 274 HA ARG 37 HA ARG 37 9.534 14.311 -3.033 275 HB2 ARG 37 1HB ARG 37 8.152 13.269 -4.921 276 HB3 ARG 37 2HB ARG 37 7.215 14.757 -4.903 277 HG2 ARG 37 1HG ARG 37 9.604 15.856 -5.109 278 HG3 ARG 37 2HG ARG 37 10.006 14.279 -5.792 279 HD2 ARG 37 1HD ARG 37 8.060 14.555 -7.344 280 HD3 ARG 37 2HD ARG 37 7.895 16.206 -6.745 281 HE ARG 37 HE ARG 37 10.531 15.607 -7.704 282 HH11 ARG 37 1HH1 ARG 37 7.327 16.613 -8.623 283 HH12 ARG 37 2HH1 ARG 37 7.852 17.421 -10.062 284 HH21 ARG 37 1HH2 ARG 37 11.235 16.668 -9.597 285 HH22 ARG 37 2HH2 ARG 37 10.075 17.452 -10.616 286 H GLY 38 H GLY 38 10.088 16.444 -2.929 287 HA2 GLY 38 1HA GLY 38 8.648 18.711 -3.154 288 HA3 GLY 38 2HA GLY 38 8.244 18.181 -1.528 289 H VAL 39 H VAL 39 11.065 18.786 -3.611 290 HA VAL 39 HA VAL 39 12.291 20.372 -1.535 291 HB VAL 39 HB VAL 39 12.961 18.080 -0.893 292 HG11 VAL 39 1HG1 VAL 39 14.579 17.958 -3.418 293 HG12 VAL 39 2HG1 VAL 39 14.216 16.666 -2.272 294 HG13 VAL 39 3HG1 VAL 39 12.950 17.289 -3.330 295 HG21 VAL 39 3HG2 VAL 39 15.529 19.109 -1.834 296 HG22 VAL 39 1HG2 VAL 39 14.518 20.324 -1.051 297 HG23 VAL 39 2HG2 VAL 39 14.946 18.845 -0.191 298 H LYS 40 H LYS 40 13.317 22.016 -2.462 299 HA LYS 40 HA LYS 40 14.106 21.752 -5.286 300 HB2 LYS 40 1HB LYS 40 13.913 24.221 -5.382 301 HB3 LYS 40 2HB LYS 40 12.397 23.433 -4.968 302 HG2 LYS 40 1HG LYS 40 12.563 24.083 -2.705 303 HG3 LYS 40 2HG LYS 40 14.248 24.573 -2.896 304 HD2 LYS 40 1HD LYS 40 13.061 26.589 -2.893 305 HD3 LYS 40 2HD LYS 40 13.363 26.269 -4.603 306 HE2 LYS 40 1HE LYS 40 11.149 25.605 -4.983 307 HE3 LYS 40 2HE LYS 40 10.828 25.378 -3.265 308 HZ1 LYS 40 3HZ LYS 40 9.948 27.474 -4.484 309 HZ2 LYS 40 1HZ LYS 40 11.521 28.055 -4.260 310 HZ3 LYS 40 2HZ LYS 40 10.583 27.619 -2.923 311 H SER 41 H SER 41 16.013 22.990 -5.965 312 HA SER 41 HA SER 41 18.308 23.097 -5.812 313 HB2 SER 41 1HB SER 41 17.276 25.324 -4.948 314 HB3 SER 41 2HB SER 41 17.828 24.777 -3.365 315 HG SER 41 HG SER 41 19.571 25.798 -4.063 316 H GLY 42 H GLY 42 17.423 20.754 -4.602 317 HA2 GLY 42 1HA GLY 42 19.281 20.544 -2.313 318 HA3 GLY 42 2HA GLY 42 17.759 19.669 -2.377 319 HA PRO 43 HA PRO 43 20.617 17.653 -5.724 320 HB2 PRO 43 1HB PRO 43 23.219 18.426 -5.716 321 HB3 PRO 43 2HB PRO 43 21.983 19.226 -6.694 322 HG2 PRO 43 1HG PRO 43 23.132 20.046 -4.054 323 HG3 PRO 43 2HG PRO 43 22.773 21.042 -5.476 324 HD2 PRO 43 1HD PRO 43 21.136 20.933 -3.322 325 HD3 PRO 43 2HD PRO 43 20.528 21.174 -4.973 326 H SER 44 H SER 44 21.492 18.344 -2.475 327 HA SER 44 HA SER 44 23.439 16.327 -2.078 328 HB2 SER 44 1HB SER 44 21.559 17.496 -0.015 329 HB3 SER 44 2HB SER 44 23.105 16.706 0.290 330 HG SER 44 HG SER 44 23.801 18.533 -1.301 331 H SER 45 H SER 45 23.244 14.198 -1.825 332 HA SER 45 HA SER 45 20.802 13.012 -0.827 333 HB2 SER 45 1HB SER 45 20.400 13.298 -3.285 334 HB3 SER 45 2HB SER 45 21.785 12.249 -3.586 335 HG SER 45 HG SER 45 20.700 10.574 -2.569 336 H GLY 46 H GLY 46 21.703 11.839 0.751 337 HA2 GLY 46 1HA GLY 46 24.268 10.806 0.855 338 HA3 GLY 46 2HA GLY 46 22.906 10.163 1.761 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -17.482 -12.924 -29.431 2 HA2 GLY 1 1HA GLY 1 -15.926 -13.936 -27.975 3 HA3 GLY 1 2HA GLY 1 -14.940 -14.366 -29.365 4 H SER 2 H SER 2 -13.010 -13.472 -28.985 5 HA SER 2 HA SER 2 -11.395 -11.901 -28.669 6 HB2 SER 2 1HB SER 2 -12.745 -10.798 -30.531 7 HB3 SER 2 2HB SER 2 -13.490 -9.813 -29.273 8 HG SER 2 HG SER 2 -10.686 -10.002 -29.615 9 H SER 3 H SER 3 -12.686 -12.806 -26.388 10 HA SER 3 HA SER 3 -12.231 -10.554 -24.608 11 HB2 SER 3 1HB SER 3 -14.742 -10.714 -25.249 12 HB3 SER 3 2HB SER 3 -14.757 -12.140 -24.211 13 HG SER 3 HG SER 3 -13.947 -9.528 -23.443 14 H GLY 4 H GLY 4 -12.018 -11.212 -22.353 15 HA2 GLY 4 1HA GLY 4 -12.166 -13.630 -21.186 16 HA3 GLY 4 2HA GLY 4 -10.723 -13.799 -22.174 17 H SER 5 H SER 5 -12.193 -11.860 -19.608 18 HA SER 5 HA SER 5 -9.772 -10.512 -18.924 19 HB2 SER 5 1HB SER 5 -11.044 -9.840 -16.868 20 HB3 SER 5 2HB SER 5 -11.877 -9.467 -18.377 21 HG SER 5 HG SER 5 -13.145 -10.513 -16.648 22 H SER 6 H SER 6 -8.116 -11.867 -18.432 23 HA SER 6 HA SER 6 -8.559 -13.856 -16.311 24 HB2 SER 6 1HB SER 6 -6.279 -13.664 -18.295 25 HB3 SER 6 2HB SER 6 -6.516 -14.949 -17.111 26 HG SER 6 HG SER 6 -8.569 -15.334 -18.199 27 H GLY 7 H GLY 7 -7.306 -13.875 -14.474 28 HA2 GLY 7 1HA GLY 7 -4.972 -12.806 -13.789 29 HA3 GLY 7 2HA GLY 7 -5.964 -11.358 -13.870 30 H GLN 8 H GLN 8 -6.155 -10.766 -11.789 31 HA GLN 8 HA GLN 8 -6.990 -12.802 -9.841 32 HB2 GLN 8 1HB GLN 8 -4.935 -11.600 -9.266 33 HB3 GLN 8 2HB GLN 8 -5.787 -10.066 -9.388 34 HG2 GLN 8 1HG GLN 8 -6.942 -10.394 -7.427 35 HG3 GLN 8 2HG GLN 8 -6.774 -12.148 -7.498 36 HE21 GLN 8 1HE2 GLN 8 -6.159 -10.189 -5.367 37 HE22 GLN 8 2HE2 GLN 8 -4.506 -10.471 -4.952 38 H LYS 9 H LYS 9 -8.906 -12.665 -8.814 39 HA LYS 9 HA LYS 9 -10.822 -10.734 -9.796 40 HB2 LYS 9 1HB LYS 9 -11.020 -13.120 -7.967 41 HB3 LYS 9 2HB LYS 9 -12.380 -12.038 -8.237 42 HG2 LYS 9 1HG LYS 9 -10.932 -13.460 -10.456 43 HG3 LYS 9 2HG LYS 9 -12.356 -14.111 -9.641 44 HD2 LYS 9 1HD LYS 9 -12.501 -11.342 -10.715 45 HD3 LYS 9 2HD LYS 9 -12.547 -12.681 -11.864 46 HE2 LYS 9 1HE LYS 9 -14.776 -12.491 -11.430 47 HE3 LYS 9 2HE LYS 9 -14.330 -13.613 -10.145 48 HZ1 LYS 9 3HZ LYS 9 -13.902 -11.169 -9.039 49 HZ2 LYS 9 1HZ LYS 9 -15.265 -12.138 -8.787 50 HZ3 LYS 9 2HZ LYS 9 -15.298 -10.921 -9.961 51 H GLU 10 H GLU 10 -9.732 -11.754 -6.553 52 HA GLU 10 HA GLU 10 -10.973 -10.037 -4.915 53 HB2 GLU 10 1HB GLU 10 -8.023 -10.690 -4.869 54 HB3 GLU 10 2HB GLU 10 -8.890 -9.942 -3.536 55 HG2 GLU 10 1HG GLU 10 -9.282 -12.697 -4.665 56 HG3 GLU 10 2HG GLU 10 -8.694 -12.257 -3.062 57 H LYS 11 H LYS 11 -10.993 -7.909 -4.391 58 HA LYS 11 HA LYS 11 -10.292 -5.987 -6.272 59 HB2 LYS 11 1HB LYS 11 -11.948 -5.727 -4.397 60 HB3 LYS 11 2HB LYS 11 -10.588 -5.504 -3.304 61 HG2 LYS 11 1HG LYS 11 -10.055 -3.439 -4.167 62 HG3 LYS 11 2HG LYS 11 -10.831 -3.770 -5.718 63 HD2 LYS 11 1HD LYS 11 -13.032 -3.717 -4.558 64 HD3 LYS 11 2HD LYS 11 -12.196 -3.230 -3.082 65 HE2 LYS 11 1HE LYS 11 -12.769 -1.174 -3.887 66 HE3 LYS 11 2HE LYS 11 -11.209 -1.372 -4.683 67 HZ1 LYS 11 3HZ LYS 11 -12.371 -2.164 -6.658 68 HZ2 LYS 11 1HZ LYS 11 -12.879 -0.606 -6.236 69 HZ3 LYS 11 2HZ LYS 11 -13.863 -1.938 -5.892 70 H CYS 12 H CYS 12 -8.222 -5.890 -6.972 71 HA CYS 12 HA CYS 12 -6.001 -5.963 -5.130 72 HB2 CYS 12 1HB CYS 12 -4.614 -5.688 -7.154 73 HB3 CYS 12 2HB CYS 12 -5.765 -7.009 -7.317 74 HG CYS 12 HG CYS 12 -6.673 -3.980 -8.526 75 H PHE 13 H PHE 13 -4.425 -4.278 -4.920 76 HA PHE 13 HA PHE 13 -5.535 -1.588 -5.383 77 HB2 PHE 13 1HB PHE 13 -3.849 -2.545 -3.061 78 HB3 PHE 13 2HB PHE 13 -4.341 -0.876 -3.328 79 HD1 PHE 13 HD1 PHE 13 -6.823 -0.354 -3.352 80 HD2 PHE 13 HD2 PHE 13 -5.232 -4.034 -1.922 81 HE1 PHE 13 HE1 PHE 13 -8.908 -0.770 -2.113 82 HE2 PHE 13 HE2 PHE 13 -7.314 -4.456 -0.682 83 HZ PHE 13 HZ PHE 13 -9.156 -2.824 -0.776 84 H LYS 14 H LYS 14 -4.391 -0.422 -6.763 85 HA LYS 14 HA LYS 14 -1.549 -1.074 -7.153 86 HB2 LYS 14 1HB LYS 14 -2.813 -1.342 -9.179 87 HB3 LYS 14 2HB LYS 14 -3.562 0.237 -8.983 88 HG2 LYS 14 1HG LYS 14 -1.512 1.353 -9.447 89 HG3 LYS 14 2HG LYS 14 -0.609 -0.162 -9.390 90 HD2 LYS 14 1HD LYS 14 -2.843 0.216 -11.351 91 HD3 LYS 14 2HD LYS 14 -1.229 0.844 -11.692 92 HE2 LYS 14 1HE LYS 14 -0.283 -1.276 -11.756 93 HE3 LYS 14 2HE LYS 14 -1.599 -1.999 -10.832 94 HZ1 LYS 14 3HZ LYS 14 -2.568 -2.558 -12.725 95 HZ2 LYS 14 1HZ LYS 14 -1.309 -1.857 -13.611 96 HZ3 LYS 14 2HZ LYS 14 -2.662 -0.934 -13.191 97 H CYS 15 H CYS 15 -0.035 0.646 -7.432 98 HA CYS 15 HA CYS 15 -0.712 2.983 -5.818 99 HB2 CYS 15 1HB CYS 15 1.346 1.618 -5.348 100 HB3 CYS 15 2HB CYS 15 1.994 2.168 -6.890 101 H ASN 16 H ASN 16 -0.480 5.095 -6.520 102 HA ASN 16 HA ASN 16 -0.565 5.430 -9.423 103 HB2 ASN 16 1HB ASN 16 -2.254 6.418 -7.641 104 HB3 ASN 16 2HB ASN 16 -1.042 7.691 -7.526 105 HD21 ASN 16 1HD2 ASN 16 -0.811 9.130 -9.169 106 HD22 ASN 16 2HD2 ASN 16 -1.854 9.188 -10.545 107 H LYS 17 H LYS 17 1.927 4.985 -7.846 108 HA LYS 17 HA LYS 17 3.381 7.337 -8.837 109 HB2 LYS 17 1HB LYS 17 3.609 6.055 -6.122 110 HB3 LYS 17 2HB LYS 17 4.929 6.991 -6.812 111 HG2 LYS 17 1HG LYS 17 2.170 8.132 -6.570 112 HG3 LYS 17 2HG LYS 17 3.310 8.171 -5.223 113 HD2 LYS 17 1HD LYS 17 4.861 9.477 -6.467 114 HD3 LYS 17 2HD LYS 17 3.962 9.232 -7.966 115 HE2 LYS 17 1HE LYS 17 3.361 11.385 -7.321 116 HE3 LYS 17 2HE LYS 17 2.021 10.397 -6.743 117 HZ1 LYS 17 3HZ LYS 17 4.254 10.887 -4.916 118 HZ2 LYS 17 1HZ LYS 17 2.606 10.698 -4.581 119 HZ3 LYS 17 2HZ LYS 17 3.180 12.161 -5.208 120 H CYS 18 H CYS 18 3.965 4.133 -7.371 121 HA CYS 18 HA CYS 18 6.188 3.723 -9.222 122 HB2 CYS 18 1HB CYS 18 6.612 1.683 -7.825 123 HB3 CYS 18 2HB CYS 18 6.692 3.199 -6.934 124 H GLU 19 H GLU 19 2.947 2.646 -8.605 125 HA GLU 19 HA GLU 19 1.516 1.413 -9.889 126 HB2 GLU 19 1HB GLU 19 3.755 0.944 -11.849 127 HB3 GLU 19 2HB GLU 19 2.023 0.912 -12.150 128 HG2 GLU 19 1HG GLU 19 1.893 3.309 -11.809 129 HG3 GLU 19 2HG GLU 19 3.614 3.364 -11.432 130 H LYS 20 H LYS 20 2.957 0.257 -7.783 131 HA LYS 20 HA LYS 20 3.515 -2.460 -8.763 132 HB2 LYS 20 1HB LYS 20 4.561 -0.842 -6.497 133 HB3 LYS 20 2HB LYS 20 4.407 -2.576 -6.246 134 HG2 LYS 20 1HG LYS 20 5.763 -2.922 -8.309 135 HG3 LYS 20 2HG LYS 20 6.030 -1.178 -8.358 136 HD2 LYS 20 1HD LYS 20 6.841 -1.498 -5.909 137 HD3 LYS 20 2HD LYS 20 7.011 -3.193 -6.373 138 HE2 LYS 20 1HE LYS 20 8.167 -1.104 -8.152 139 HE3 LYS 20 2HE LYS 20 9.001 -1.480 -6.645 140 HZ1 LYS 20 3HZ LYS 20 9.780 -2.796 -8.564 141 HZ2 LYS 20 1HZ LYS 20 8.247 -3.502 -8.684 142 HZ3 LYS 20 2HZ LYS 20 9.191 -3.757 -7.303 143 H THR 21 H THR 21 2.070 -3.994 -8.369 144 HA THR 21 HA THR 21 -0.244 -3.447 -6.751 145 HB THR 21 HB THR 21 -0.913 -5.788 -7.380 146 HG1 THR 21 HG1 THR 21 0.879 -6.900 -7.845 147 HG21 THR 21 3HG2 THR 21 -1.348 -3.640 -8.738 148 HG22 THR 21 1HG2 THR 21 -1.578 -5.193 -9.540 149 HG23 THR 21 2HG2 THR 21 -0.113 -4.257 -9.835 150 H PHE 22 H PHE 22 -0.644 -4.081 -4.720 151 HA PHE 22 HA PHE 22 1.368 -5.777 -3.403 152 HB2 PHE 22 1HB PHE 22 -0.474 -3.674 -2.252 153 HB3 PHE 22 2HB PHE 22 0.567 -4.713 -1.285 154 HD1 PHE 22 HD2 PHE 22 0.528 -2.020 -3.799 155 HD2 PHE 22 HD1 PHE 22 2.878 -4.265 -1.051 156 HE1 PHE 22 HE2 PHE 22 2.373 -0.414 -4.070 157 HE2 PHE 22 HE1 PHE 22 4.726 -2.663 -1.317 158 HZ PHE 22 HZ PHE 22 4.476 -0.735 -2.829 159 H SER 23 H SER 23 0.327 -6.818 -1.317 160 HA SER 23 HA SER 23 -1.805 -8.521 -2.309 161 HB2 SER 23 1HB SER 23 0.152 -9.526 -1.186 162 HB3 SER 23 2HB SER 23 -0.256 -8.653 0.291 163 HG SER 23 HG SER 23 -1.477 -10.297 0.724 164 H CYS 24 H CYS 24 -1.220 -6.730 0.723 165 HA CYS 24 HA CYS 24 -4.137 -6.491 1.036 166 HB2 CYS 24 1HB CYS 24 -2.578 -7.633 2.815 167 HB3 CYS 24 2HB CYS 24 -2.216 -5.974 3.274 168 HG CYS 24 HG CYS 24 -4.616 -5.331 4.245 169 H SER 25 H SER 25 -4.691 -4.470 2.446 170 HA SER 25 HA SER 25 -3.811 -2.187 0.928 171 HB2 SER 25 1HB SER 25 -5.446 -0.951 2.387 172 HB3 SER 25 2HB SER 25 -6.147 -2.302 1.497 173 HG SER 25 HG SER 25 -5.669 -2.019 4.231 174 H LYS 26 H LYS 26 -3.838 -2.987 4.404 175 HA LYS 26 HA LYS 26 -2.550 -0.888 5.499 176 HB2 LYS 26 1HB LYS 26 -1.567 -2.436 7.151 177 HB3 LYS 26 2HB LYS 26 -3.256 -2.801 6.820 178 HG2 LYS 26 1HG LYS 26 -2.409 -4.902 6.751 179 HG3 LYS 26 2HG LYS 26 -2.175 -4.455 5.060 180 HD2 LYS 26 1HD LYS 26 -0.105 -5.321 5.617 181 HD3 LYS 26 2HD LYS 26 0.139 -3.594 5.888 182 HE2 LYS 26 1HE LYS 26 1.067 -4.749 7.753 183 HE3 LYS 26 2HE LYS 26 -0.425 -3.983 8.297 184 HZ1 LYS 26 3HZ LYS 26 -1.552 -6.045 8.240 185 HZ2 LYS 26 1HZ LYS 26 -0.091 -6.329 9.044 186 HZ3 LYS 26 2HZ LYS 26 -0.280 -6.816 7.435 187 H TYR 27 H TYR 27 -1.016 -3.494 3.669 188 HA TYR 27 HA TYR 27 1.652 -2.680 4.097 189 HB2 TYR 27 1HB TYR 27 0.319 -4.371 1.995 190 HB3 TYR 27 2HB TYR 27 2.040 -4.010 1.922 191 HD1 TYR 27 HD1 TYR 27 3.271 -4.418 4.295 192 HD2 TYR 27 HD2 TYR 27 -0.267 -6.372 2.966 193 HE1 TYR 27 HE1 TYR 27 3.730 -6.282 5.832 194 HE2 TYR 27 HE2 TYR 27 0.182 -8.241 4.500 195 HH TYR 27 HH TYR 27 1.442 -8.629 6.611 196 H LEU 28 H LEU 28 -0.708 -1.902 1.584 197 HA LEU 28 HA LEU 28 1.111 -0.340 0.028 198 HB2 LEU 28 1HB LEU 28 -0.771 -1.346 -1.053 199 HB3 LEU 28 2HB LEU 28 -1.893 -0.548 0.047 200 HG LEU 28 HG LEU 28 -1.254 1.629 -0.952 201 HD11 LEU 28 1HD1 LEU 28 0.640 -0.109 -2.384 202 HD12 LEU 28 2HD1 LEU 28 0.759 1.597 -1.956 203 HD13 LEU 28 3HD1 LEU 28 -0.178 1.106 -3.367 204 HD21 LEU 28 3HD2 LEU 28 -2.812 -0.465 -2.106 205 HD22 LEU 28 1HD2 LEU 28 -2.081 0.489 -3.396 206 HD23 LEU 28 2HD2 LEU 28 -3.073 1.279 -2.171 207 H THR 29 H THR 29 -1.667 0.533 2.088 208 HA THR 29 HA THR 29 -1.703 3.208 2.014 209 HB THR 29 HB THR 29 -1.720 1.638 4.599 210 HG1 THR 29 HG1 THR 29 -3.550 1.948 2.527 211 HG21 THR 29 3HG2 THR 29 -3.352 3.574 5.182 212 HG22 THR 29 1HG2 THR 29 -2.531 4.431 3.878 213 HG23 THR 29 2HG2 THR 29 -1.614 3.859 5.272 214 H GLN 30 H GLN 30 0.376 1.533 4.386 215 HA GLN 30 HA GLN 30 1.839 3.789 5.140 216 HB2 GLN 30 1HB GLN 30 2.288 0.843 5.324 217 HB3 GLN 30 2HB GLN 30 3.627 1.922 5.692 218 HG2 GLN 30 1HG GLN 30 0.948 2.250 6.992 219 HG3 GLN 30 2HG GLN 30 2.153 1.125 7.618 220 HE21 GLN 30 1HE2 GLN 30 1.142 4.371 7.413 221 HE22 GLN 30 2HE2 GLN 30 2.436 5.077 8.314 222 H HIS 31 H HIS 31 2.490 1.365 2.642 223 HA HIS 31 HA HIS 31 5.029 2.130 1.871 224 HB2 HIS 31 1HB HIS 31 4.340 0.222 0.784 225 HB3 HIS 31 2HB HIS 31 2.728 0.856 0.466 226 HD1 HIS 31 HD1 HIS 31 5.993 0.347 -1.084 227 HD2 HIS 31 HD2 HIS 31 2.669 2.750 -1.747 228 HE1 HIS 31 HE1 HIS 31 6.235 1.195 -3.439 229 H GLU 32 H GLU 32 1.969 3.246 0.409 230 HA GLU 32 HA GLU 32 2.728 5.005 -1.438 231 HB2 GLU 32 1HB GLU 32 0.591 5.185 0.638 232 HB3 GLU 32 2HB GLU 32 0.885 6.586 -0.382 233 HG2 GLU 32 1HG GLU 32 0.515 3.907 -1.635 234 HG3 GLU 32 2HG GLU 32 -0.888 4.808 -1.061 235 H ARG 33 H ARG 33 3.200 5.433 2.003 236 HA ARG 33 HA ARG 33 3.807 8.120 2.163 237 HB2 ARG 33 1HB ARG 33 5.094 5.813 3.633 238 HB3 ARG 33 2HB ARG 33 5.267 7.504 4.085 239 HG2 ARG 33 1HG ARG 33 2.840 7.641 4.438 240 HG3 ARG 33 2HG ARG 33 2.702 5.928 4.036 241 HD2 ARG 33 1HD ARG 33 2.762 5.914 6.355 242 HD3 ARG 33 2HD ARG 33 4.437 5.582 5.914 243 HE ARG 33 HE ARG 33 3.804 8.369 6.365 244 HH11 ARG 33 1HH1 ARG 33 4.968 5.385 7.728 245 HH12 ARG 33 2HH1 ARG 33 5.797 6.155 9.040 246 HH21 ARG 33 1HH2 ARG 33 4.892 9.396 8.087 247 HH22 ARG 33 2HH2 ARG 33 5.752 8.437 9.244 248 H ILE 34 H ILE 34 6.035 5.440 1.438 249 HA ILE 34 HA ILE 34 8.429 6.654 1.230 250 HB ILE 34 HB ILE 34 9.091 5.085 -0.448 251 HG12 ILE 34 1HG1 ILE 34 6.304 4.159 -0.966 252 HG13 ILE 34 2HG1 ILE 34 6.845 5.631 -1.764 253 HG21 ILE 34 1HG2 ILE 34 8.362 3.006 0.526 254 HG22 ILE 34 2HG2 ILE 34 8.554 4.207 1.802 255 HG23 ILE 34 3HG2 ILE 34 6.942 3.788 1.221 256 HD11 ILE 34 3HD1 ILE 34 8.523 4.504 -2.942 257 HD12 ILE 34 1HD1 ILE 34 8.411 3.081 -1.906 258 HD13 ILE 34 2HD1 ILE 34 7.108 3.455 -3.034 259 H HIS 35 H HIS 35 5.678 7.271 -0.774 260 HA HIS 35 HA HIS 35 7.271 8.833 -2.667 261 HB2 HIS 35 1HB HIS 35 4.298 8.298 -2.737 262 HB3 HIS 35 2HB HIS 35 5.299 8.922 -4.045 263 HD1 HIS 35 HD1 HIS 35 7.323 7.095 -4.717 264 HD2 HIS 35 HD2 HIS 35 3.832 5.656 -2.985 265 HE1 HIS 35 HE1 HIS 35 7.246 4.648 -5.293 266 H THR 36 H THR 36 7.821 10.513 -1.191 267 HA THR 36 HA THR 36 5.721 12.530 -0.973 268 HB THR 36 HB THR 36 6.737 13.034 1.399 269 HG1 THR 36 HG1 THR 36 7.575 10.434 0.825 270 HG21 THR 36 3HG2 THR 36 4.824 12.159 2.317 271 HG22 THR 36 1HG2 THR 36 4.937 10.659 1.398 272 HG23 THR 36 2HG2 THR 36 4.380 12.136 0.611 273 H ARG 37 H ARG 37 6.599 14.684 -0.426 274 HA ARG 37 HA ARG 37 9.424 14.966 -1.209 275 HB2 ARG 37 1HB ARG 37 7.103 16.695 -2.087 276 HB3 ARG 37 2HB ARG 37 8.796 17.036 -2.421 277 HG2 ARG 37 1HG ARG 37 7.465 14.495 -3.303 278 HG3 ARG 37 2HG ARG 37 7.453 15.965 -4.279 279 HD2 ARG 37 1HD ARG 37 9.889 15.986 -4.300 280 HD3 ARG 37 2HD ARG 37 9.921 14.545 -3.285 281 HE ARG 37 HE ARG 37 9.387 13.259 -5.124 282 HH11 ARG 37 1HH1 ARG 37 9.087 16.640 -5.897 283 HH12 ARG 37 2HH1 ARG 37 8.934 16.371 -7.601 284 HH21 ARG 37 1HH2 ARG 37 9.186 12.891 -7.366 285 HH22 ARG 37 2HH2 ARG 37 8.990 14.238 -8.436 286 H GLY 38 H GLY 38 6.657 16.457 0.433 287 HA2 GLY 38 1HA GLY 38 8.092 18.571 1.637 288 HA3 GLY 38 2HA GLY 38 6.546 17.939 2.183 289 H VAL 39 H VAL 39 6.887 17.863 4.346 290 HA VAL 39 HA VAL 39 7.865 17.339 6.358 291 HB VAL 39 HB VAL 39 8.350 14.680 5.019 292 HG11 VAL 39 1HG1 VAL 39 9.274 14.615 7.163 293 HG12 VAL 39 2HG1 VAL 39 7.969 15.582 7.855 294 HG13 VAL 39 3HG1 VAL 39 7.670 13.912 7.369 295 HG21 VAL 39 3HG2 VAL 39 6.030 15.726 4.663 296 HG22 VAL 39 1HG2 VAL 39 6.110 14.088 5.312 297 HG23 VAL 39 2HG2 VAL 39 5.793 15.449 6.388 298 H LYS 40 H LYS 40 9.687 18.806 5.169 299 HA LYS 40 HA LYS 40 12.211 17.336 5.557 300 HB2 LYS 40 1HB LYS 40 11.523 19.444 3.515 301 HB3 LYS 40 2HB LYS 40 13.186 19.058 3.936 302 HG2 LYS 40 1HG LYS 40 12.449 16.612 3.393 303 HG3 LYS 40 2HG LYS 40 11.167 17.417 2.485 304 HD2 LYS 40 1HD LYS 40 14.008 18.274 2.120 305 HD3 LYS 40 2HD LYS 40 13.423 16.817 1.314 306 HE2 LYS 40 1HE LYS 40 13.027 18.447 -0.276 307 HE3 LYS 40 2HE LYS 40 11.468 18.338 0.541 308 HZ1 LYS 40 3HZ LYS 40 12.021 20.276 1.836 309 HZ2 LYS 40 1HZ LYS 40 12.190 20.637 0.192 310 HZ3 LYS 40 2HZ LYS 40 13.561 20.358 1.142 311 H SER 41 H SER 41 14.028 18.693 6.263 312 HA SER 41 HA SER 41 13.270 20.340 8.456 313 HB2 SER 41 1HB SER 41 15.992 19.889 7.209 314 HB3 SER 41 2HB SER 41 15.701 20.668 8.764 315 HG SER 41 HG SER 41 15.725 18.735 9.564 316 H GLY 42 H GLY 42 12.813 22.436 8.466 317 HA2 GLY 42 1HA GLY 42 12.583 24.077 6.298 318 HA3 GLY 42 2HA GLY 42 12.870 24.676 7.925 319 HA PRO 43 HA PRO 43 16.518 25.433 4.933 320 HB2 PRO 43 1HB PRO 43 16.033 28.030 4.311 321 HB3 PRO 43 2HB PRO 43 15.422 26.682 3.346 322 HG2 PRO 43 1HG PRO 43 14.013 28.319 5.419 323 HG3 PRO 43 2HG PRO 43 13.424 27.764 3.841 324 HD2 PRO 43 1HD PRO 43 12.765 26.530 6.159 325 HD3 PRO 43 2HD PRO 43 12.936 25.652 4.625 326 H SER 44 H SER 44 15.288 26.369 7.841 327 HA SER 44 HA SER 44 16.758 28.590 8.633 328 HB2 SER 44 1HB SER 44 16.515 27.665 10.955 329 HB3 SER 44 2HB SER 44 15.005 27.728 10.046 330 HG SER 44 HG SER 44 15.349 25.486 9.558 331 H SER 45 H SER 45 18.567 28.547 10.279 332 HA SER 45 HA SER 45 20.851 27.365 9.106 333 HB2 SER 45 1HB SER 45 22.028 28.211 11.161 334 HB3 SER 45 2HB SER 45 21.086 29.437 10.311 335 HG SER 45 HG SER 45 19.885 29.653 12.016 336 H GLY 46 H GLY 46 21.190 25.236 9.115 337 HA2 GLY 46 1HA GLY 46 20.931 23.825 11.696 338 HA3 GLY 46 2HA GLY 46 20.358 23.103 10.200 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -12.910 -3.514 -29.481 2 HA2 GLY 1 1HA GLY 1 -14.239 -5.602 -29.421 3 HA3 GLY 1 2HA GLY 1 -12.850 -6.392 -30.152 4 H SER 2 H SER 2 -12.997 -4.071 -27.471 5 HA SER 2 HA SER 2 -11.674 -6.095 -25.787 6 HB2 SER 2 1HB SER 2 -11.475 -3.079 -25.768 7 HB3 SER 2 2HB SER 2 -10.840 -4.096 -24.475 8 HG SER 2 HG SER 2 -10.066 -4.077 -27.202 9 H SER 3 H SER 3 -13.387 -7.042 -24.780 10 HA SER 3 HA SER 3 -14.653 -5.565 -22.676 11 HB2 SER 3 1HB SER 3 -16.952 -5.839 -23.379 12 HB3 SER 3 2HB SER 3 -16.078 -4.981 -24.648 13 HG SER 3 HG SER 3 -17.037 -7.620 -24.612 14 H GLY 4 H GLY 4 -16.125 -6.982 -21.378 15 HA2 GLY 4 1HA GLY 4 -16.864 -9.169 -20.762 16 HA3 GLY 4 2HA GLY 4 -15.587 -9.846 -21.761 17 H SER 5 H SER 5 -15.537 -7.388 -19.187 18 HA SER 5 HA SER 5 -13.131 -7.925 -18.074 19 HB2 SER 5 1HB SER 5 -14.043 -7.111 -15.917 20 HB3 SER 5 2HB SER 5 -14.558 -6.113 -17.277 21 HG SER 5 HG SER 5 -16.450 -6.462 -16.383 22 H SER 6 H SER 6 -12.177 -9.509 -16.953 23 HA SER 6 HA SER 6 -13.863 -11.646 -15.835 24 HB2 SER 6 1HB SER 6 -11.436 -11.906 -17.600 25 HB3 SER 6 2HB SER 6 -11.938 -13.212 -16.527 26 HG SER 6 HG SER 6 -14.114 -12.659 -17.679 27 H GLY 7 H GLY 7 -13.627 -10.866 -13.740 28 HA2 GLY 7 1HA GLY 7 -12.149 -11.733 -11.866 29 HA3 GLY 7 2HA GLY 7 -10.872 -10.843 -12.681 30 H GLN 8 H GLN 8 -14.249 -9.963 -12.005 31 HA GLN 8 HA GLN 8 -13.349 -7.402 -10.974 32 HB2 GLN 8 1HB GLN 8 -15.701 -6.784 -10.982 33 HB3 GLN 8 2HB GLN 8 -15.259 -7.501 -12.526 34 HG2 GLN 8 1HG GLN 8 -17.219 -8.578 -12.170 35 HG3 GLN 8 2HG GLN 8 -16.130 -9.698 -11.353 36 HE21 GLN 8 1HE2 GLN 8 -17.756 -10.462 -10.013 37 HE22 GLN 8 2HE2 GLN 8 -18.392 -9.526 -8.707 38 H LYS 9 H LYS 9 -15.117 -10.249 -9.832 39 HA LYS 9 HA LYS 9 -15.975 -9.573 -7.374 40 HB2 LYS 9 1HB LYS 9 -14.394 -12.078 -7.987 41 HB3 LYS 9 2HB LYS 9 -15.491 -11.862 -6.629 42 HG2 LYS 9 1HG LYS 9 -17.380 -11.756 -8.060 43 HG3 LYS 9 2HG LYS 9 -16.362 -11.647 -9.499 44 HD2 LYS 9 1HD LYS 9 -15.437 -13.946 -8.612 45 HD3 LYS 9 2HD LYS 9 -16.996 -14.004 -7.785 46 HE2 LYS 9 1HE LYS 9 -16.681 -13.511 -10.741 47 HE3 LYS 9 2HE LYS 9 -16.942 -15.107 -10.039 48 HZ1 LYS 9 3HZ LYS 9 -18.811 -13.002 -9.275 49 HZ2 LYS 9 1HZ LYS 9 -19.089 -14.647 -9.558 50 HZ3 LYS 9 2HZ LYS 9 -18.922 -13.581 -10.860 51 H GLU 10 H GLU 10 -12.621 -10.578 -8.053 52 HA GLU 10 HA GLU 10 -11.780 -9.730 -5.411 53 HB2 GLU 10 1HB GLU 10 -10.281 -10.929 -7.742 54 HB3 GLU 10 2HB GLU 10 -9.513 -10.471 -6.229 55 HG2 GLU 10 1HG GLU 10 -10.011 -12.866 -6.347 56 HG3 GLU 10 2HG GLU 10 -10.844 -12.068 -5.015 57 H LYS 11 H LYS 11 -10.277 -8.092 -4.985 58 HA LYS 11 HA LYS 11 -9.860 -6.159 -7.168 59 HB2 LYS 11 1HB LYS 11 -10.124 -4.344 -5.500 60 HB3 LYS 11 2HB LYS 11 -11.594 -5.284 -5.724 61 HG2 LYS 11 1HG LYS 11 -10.761 -6.625 -3.675 62 HG3 LYS 11 2HG LYS 11 -9.728 -5.223 -3.391 63 HD2 LYS 11 1HD LYS 11 -12.614 -4.748 -3.926 64 HD3 LYS 11 2HD LYS 11 -12.160 -5.405 -2.351 65 HE2 LYS 11 1HE LYS 11 -10.438 -3.494 -2.292 66 HE3 LYS 11 2HE LYS 11 -11.388 -2.788 -3.598 67 HZ1 LYS 11 3HZ LYS 11 -13.304 -2.732 -2.190 68 HZ2 LYS 11 1HZ LYS 11 -12.025 -1.993 -1.366 69 HZ3 LYS 11 2HZ LYS 11 -12.498 -3.564 -0.957 70 H CYS 12 H CYS 12 -7.874 -5.209 -7.297 71 HA CYS 12 HA CYS 12 -5.879 -6.068 -5.306 72 HB2 CYS 12 1HB CYS 12 -5.803 -6.943 -7.784 73 HB3 CYS 12 2HB CYS 12 -5.113 -5.358 -8.112 74 HG CYS 12 HG CYS 12 -3.432 -7.886 -7.451 75 H PHE 13 H PHE 13 -4.799 -4.520 -4.270 76 HA PHE 13 HA PHE 13 -5.368 -1.756 -4.873 77 HB2 PHE 13 1HB PHE 13 -3.518 -2.871 -2.757 78 HB3 PHE 13 2HB PHE 13 -4.205 -1.251 -2.817 79 HD1 PHE 13 HD2 PHE 13 -4.938 -4.804 -2.226 80 HD2 PHE 13 HD1 PHE 13 -6.423 -0.818 -2.068 81 HE1 PHE 13 HE2 PHE 13 -6.856 -5.575 -0.892 82 HE2 PHE 13 HE1 PHE 13 -8.343 -1.583 -0.733 83 HZ PHE 13 HZ PHE 13 -8.562 -3.964 -0.144 84 H LYS 14 H LYS 14 -4.330 -0.990 -6.624 85 HA LYS 14 HA LYS 14 -1.437 -1.475 -6.852 86 HB2 LYS 14 1HB LYS 14 -3.178 -2.001 -8.749 87 HB3 LYS 14 2HB LYS 14 -3.071 -0.272 -9.053 88 HG2 LYS 14 1HG LYS 14 -0.791 -0.401 -9.603 89 HG3 LYS 14 2HG LYS 14 -0.637 -2.023 -8.924 90 HD2 LYS 14 1HD LYS 14 -1.964 -2.954 -10.690 91 HD3 LYS 14 2HD LYS 14 -2.364 -1.348 -11.303 92 HE2 LYS 14 1HE LYS 14 -0.680 -1.884 -12.742 93 HE3 LYS 14 2HE LYS 14 0.272 -1.152 -11.452 94 HZ1 LYS 14 3HZ LYS 14 1.006 -3.405 -12.381 95 HZ2 LYS 14 1HZ LYS 14 -0.263 -4.053 -11.468 96 HZ3 LYS 14 2HZ LYS 14 0.986 -3.208 -10.702 97 H CYS 15 H CYS 15 -0.019 0.170 -6.738 98 HA CYS 15 HA CYS 15 -0.905 2.699 -5.760 99 HB2 CYS 15 1HB CYS 15 1.353 1.372 -5.380 100 HB3 CYS 15 2HB CYS 15 1.875 2.304 -6.779 101 H ASN 16 H ASN 16 0.349 4.701 -6.815 102 HA ASN 16 HA ASN 16 -0.383 4.697 -9.670 103 HB2 ASN 16 1HB ASN 16 -1.887 6.116 -8.405 104 HB3 ASN 16 2HB ASN 16 -0.528 6.947 -7.653 105 HD21 ASN 16 1HD2 ASN 16 -1.339 8.923 -8.423 106 HD22 ASN 16 2HD2 ASN 16 -1.144 9.390 -10.075 107 H LYS 17 H LYS 17 1.663 6.500 -7.368 108 HA LYS 17 HA LYS 17 3.401 7.644 -9.186 109 HB2 LYS 17 1HB LYS 17 4.120 6.624 -6.431 110 HB3 LYS 17 2HB LYS 17 4.987 7.852 -7.345 111 HG2 LYS 17 1HG LYS 17 2.109 8.309 -6.776 112 HG3 LYS 17 2HG LYS 17 3.264 8.481 -5.452 113 HD2 LYS 17 1HD LYS 17 3.308 10.614 -6.263 114 HD3 LYS 17 2HD LYS 17 4.572 9.901 -7.268 115 HE2 LYS 17 1HE LYS 17 3.065 9.636 -9.099 116 HE3 LYS 17 2HE LYS 17 1.681 10.069 -8.097 117 HZ1 LYS 17 3HZ LYS 17 3.071 12.257 -7.797 118 HZ2 LYS 17 1HZ LYS 17 2.061 12.039 -9.137 119 HZ3 LYS 17 2HZ LYS 17 3.727 11.791 -9.284 120 H CYS 18 H CYS 18 3.733 4.513 -7.528 121 HA CYS 18 HA CYS 18 5.960 3.835 -9.305 122 HB2 CYS 18 1HB CYS 18 6.374 1.966 -7.781 123 HB3 CYS 18 2HB CYS 18 6.302 3.486 -6.895 124 H GLU 19 H GLU 19 2.712 2.827 -8.415 125 HA GLU 19 HA GLU 19 1.176 1.567 -9.536 126 HB2 GLU 19 1HB GLU 19 3.189 1.239 -11.756 127 HB3 GLU 19 2HB GLU 19 1.439 1.109 -11.858 128 HG2 GLU 19 1HG GLU 19 1.206 3.483 -11.455 129 HG3 GLU 19 2HG GLU 19 2.950 3.640 -11.253 130 H LYS 20 H LYS 20 2.692 0.359 -7.616 131 HA LYS 20 HA LYS 20 3.342 -2.282 -8.741 132 HB2 LYS 20 1HB LYS 20 4.332 -0.792 -6.334 133 HB3 LYS 20 2HB LYS 20 4.416 -2.549 -6.373 134 HG2 LYS 20 1HG LYS 20 5.815 -2.497 -8.321 135 HG3 LYS 20 2HG LYS 20 5.620 -0.749 -8.464 136 HD2 LYS 20 1HD LYS 20 6.926 -0.331 -6.570 137 HD3 LYS 20 2HD LYS 20 6.764 -1.988 -5.982 138 HE2 LYS 20 1HE LYS 20 8.894 -2.062 -6.814 139 HE3 LYS 20 2HE LYS 20 7.987 -2.554 -8.243 140 HZ1 LYS 20 3HZ LYS 20 8.736 -0.795 -9.335 141 HZ2 LYS 20 1HZ LYS 20 9.736 -0.426 -8.021 142 HZ3 LYS 20 2HZ LYS 20 8.197 0.266 -8.133 143 H THR 21 H THR 21 2.193 -4.028 -8.159 144 HA THR 21 HA THR 21 -0.223 -3.653 -6.650 145 HB THR 21 HB THR 21 -0.625 -6.059 -7.107 146 HG1 THR 21 HG1 THR 21 1.100 -7.216 -7.489 147 HG21 THR 21 3HG2 THR 21 0.283 -4.615 -9.594 148 HG22 THR 21 1HG2 THR 21 -1.210 -4.233 -8.737 149 HG23 THR 21 2HG2 THR 21 -0.988 -5.829 -9.455 150 H PHE 22 H PHE 22 -0.816 -4.702 -4.729 151 HA PHE 22 HA PHE 22 1.392 -5.869 -3.174 152 HB2 PHE 22 1HB PHE 22 -0.646 -3.868 -2.176 153 HB3 PHE 22 2HB PHE 22 0.530 -4.702 -1.165 154 HD1 PHE 22 HD2 PHE 22 0.096 -2.197 -3.821 155 HD2 PHE 22 HD1 PHE 22 2.804 -4.011 -1.084 156 HE1 PHE 22 HE2 PHE 22 1.733 -0.415 -4.265 157 HE2 PHE 22 HE1 PHE 22 4.445 -2.232 -1.523 158 HZ PHE 22 HZ PHE 22 3.912 -0.431 -3.117 159 H SER 23 H SER 23 0.414 -6.864 -1.059 160 HA SER 23 HA SER 23 -1.724 -8.653 -1.943 161 HB2 SER 23 1HB SER 23 0.259 -8.831 0.332 162 HB3 SER 23 2HB SER 23 -1.037 -9.999 0.079 163 HG SER 23 HG SER 23 0.747 -9.375 -2.007 164 H CYS 24 H CYS 24 -0.847 -6.640 0.851 165 HA CYS 24 HA CYS 24 -3.684 -6.660 1.647 166 HB2 CYS 24 1HB CYS 24 -1.228 -6.242 3.364 167 HB3 CYS 24 2HB CYS 24 -2.889 -6.136 3.935 168 HG CYS 24 HG CYS 24 -1.061 -8.874 3.167 169 H SER 25 H SER 25 -4.513 -4.677 2.596 170 HA SER 25 HA SER 25 -3.862 -2.406 1.026 171 HB2 SER 25 1HB SER 25 -6.137 -2.753 1.809 172 HB3 SER 25 2HB SER 25 -5.605 -2.665 3.488 173 HG SER 25 HG SER 25 -4.871 -0.494 1.987 174 H LYS 26 H LYS 26 -3.566 -2.992 4.531 175 HA LYS 26 HA LYS 26 -2.415 -0.712 5.406 176 HB2 LYS 26 1HB LYS 26 -2.869 -2.676 6.829 177 HB3 LYS 26 2HB LYS 26 -1.477 -3.494 6.132 178 HG2 LYS 26 1HG LYS 26 -0.213 -1.345 6.975 179 HG3 LYS 26 2HG LYS 26 -1.585 -1.256 8.082 180 HD2 LYS 26 1HD LYS 26 -0.028 -3.797 7.719 181 HD3 LYS 26 2HD LYS 26 0.503 -2.544 8.844 182 HE2 LYS 26 1HE LYS 26 -2.304 -3.586 8.930 183 HE3 LYS 26 2HE LYS 26 -0.995 -4.475 9.707 184 HZ1 LYS 26 3HZ LYS 26 -0.683 -1.863 10.508 185 HZ2 LYS 26 1HZ LYS 26 -1.282 -3.143 11.439 186 HZ3 LYS 26 2HZ LYS 26 -2.349 -2.140 10.593 187 H TYR 27 H TYR 27 -0.523 -3.448 4.113 188 HA TYR 27 HA TYR 27 1.985 -2.375 4.161 189 HB2 TYR 27 1HB TYR 27 0.644 -4.238 2.233 190 HB3 TYR 27 2HB TYR 27 2.295 -3.708 1.932 191 HD1 TYR 27 HD2 TYR 27 0.231 -5.113 4.717 192 HD2 TYR 27 HD1 TYR 27 4.006 -5.016 2.757 193 HE1 TYR 27 HE2 TYR 27 1.061 -6.854 6.242 194 HE2 TYR 27 HE1 TYR 27 4.846 -6.759 4.277 195 HH TYR 27 HH TYR 27 2.727 -8.347 6.600 196 H LEU 28 H LEU 28 -0.494 -1.854 1.685 197 HA LEU 28 HA LEU 28 1.133 -0.219 0.022 198 HB2 LEU 28 1HB LEU 28 -0.749 -1.317 -0.939 199 HB3 LEU 28 2HB LEU 28 -1.846 -0.589 0.233 200 HG LEU 28 HG LEU 28 -1.450 1.613 -0.803 201 HD11 LEU 28 1HD1 LEU 28 -0.168 1.914 -2.733 202 HD12 LEU 28 2HD1 LEU 28 -0.051 0.181 -3.036 203 HD13 LEU 28 3HD1 LEU 28 0.837 0.902 -1.695 204 HD21 LEU 28 3HD2 LEU 28 -2.347 -0.525 -2.733 205 HD22 LEU 28 1HD2 LEU 28 -2.719 1.196 -2.842 206 HD23 LEU 28 2HD2 LEU 28 -3.349 0.242 -1.499 207 H THR 29 H THR 29 -1.178 0.441 2.605 208 HA THR 29 HA THR 29 -1.415 3.195 2.345 209 HB THR 29 HB THR 29 -1.369 1.592 4.909 210 HG1 THR 29 HG1 THR 29 -3.651 2.496 3.488 211 HG21 THR 29 3HG2 THR 29 -2.135 4.418 4.280 212 HG22 THR 29 1HG2 THR 29 -1.190 3.793 5.631 213 HG23 THR 29 2HG2 THR 29 -2.937 3.550 5.589 214 H GLN 30 H GLN 30 0.818 1.454 4.521 215 HA GLN 30 HA GLN 30 2.266 3.733 5.299 216 HB2 GLN 30 1HB GLN 30 2.222 1.425 6.398 217 HB3 GLN 30 2HB GLN 30 3.405 0.946 5.188 218 HG2 GLN 30 1HG GLN 30 4.672 1.510 7.057 219 HG3 GLN 30 2HG GLN 30 4.793 2.917 6.003 220 HE21 GLN 30 1HE2 GLN 30 4.695 2.208 9.069 221 HE22 GLN 30 2HE2 GLN 30 3.744 3.503 9.704 222 H HIS 31 H HIS 31 2.673 1.482 2.629 223 HA HIS 31 HA HIS 31 5.234 2.280 1.802 224 HB2 HIS 31 1HB HIS 31 4.561 0.329 0.771 225 HB3 HIS 31 2HB HIS 31 2.923 0.915 0.493 226 HD1 HIS 31 HD1 HIS 31 6.301 0.776 -1.039 227 HD2 HIS 31 HD2 HIS 31 2.602 2.491 -1.840 228 HE1 HIS 31 HE1 HIS 31 6.415 1.533 -3.434 229 H GLU 32 H GLU 32 2.092 3.205 0.377 230 HA GLU 32 HA GLU 32 2.741 5.017 -1.463 231 HB2 GLU 32 1HB GLU 32 0.581 5.066 0.604 232 HB3 GLU 32 2HB GLU 32 0.775 6.454 -0.457 233 HG2 GLU 32 1HG GLU 32 0.582 3.700 -1.597 234 HG3 GLU 32 2HG GLU 32 -0.869 4.573 -1.107 235 H ARG 33 H ARG 33 3.159 5.462 1.980 236 HA ARG 33 HA ARG 33 3.562 8.187 2.157 237 HB2 ARG 33 1HB ARG 33 5.060 6.007 3.623 238 HB3 ARG 33 2HB ARG 33 5.001 7.698 4.102 239 HG2 ARG 33 1HG ARG 33 2.519 7.467 4.307 240 HG3 ARG 33 2HG ARG 33 2.726 5.734 4.044 241 HD2 ARG 33 1HD ARG 33 2.616 6.085 6.395 242 HD3 ARG 33 2HD ARG 33 4.293 5.717 5.997 243 HE ARG 33 HE ARG 33 4.308 8.387 5.952 244 HH11 ARG 33 1HH1 ARG 33 2.998 6.136 8.263 245 HH12 ARG 33 2HH1 ARG 33 3.226 7.193 9.617 246 HH21 ARG 33 1HH2 ARG 33 4.613 9.787 7.727 247 HH22 ARG 33 2HH2 ARG 33 4.144 9.270 9.311 248 H ILE 34 H ILE 34 5.984 5.684 1.426 249 HA ILE 34 HA ILE 34 8.283 7.073 1.241 250 HB ILE 34 HB ILE 34 9.068 5.570 -0.445 251 HG12 ILE 34 1HG1 ILE 34 6.360 4.437 -0.977 252 HG13 ILE 34 2HG1 ILE 34 6.788 5.952 -1.765 253 HG21 ILE 34 1HG2 ILE 34 8.542 3.453 0.534 254 HG22 ILE 34 2HG2 ILE 34 8.547 4.660 1.818 255 HG23 ILE 34 3HG2 ILE 34 7.017 4.068 1.171 256 HD11 ILE 34 3HD1 ILE 34 8.437 3.444 -1.932 257 HD12 ILE 34 1HD1 ILE 34 7.228 3.923 -3.123 258 HD13 ILE 34 2HD1 ILE 34 8.650 4.932 -2.854 259 H HIS 35 H HIS 35 5.505 7.499 -0.773 260 HA HIS 35 HA HIS 35 6.948 9.076 -2.744 261 HB2 HIS 35 1HB HIS 35 3.976 8.566 -2.502 262 HB3 HIS 35 2HB HIS 35 4.809 9.261 -3.890 263 HD1 HIS 35 HD1 HIS 35 6.983 7.385 -4.527 264 HD2 HIS 35 HD2 HIS 35 3.299 6.043 -3.154 265 HE1 HIS 35 HE1 HIS 35 6.815 4.993 -5.283 266 H THR 36 H THR 36 4.002 9.705 -0.833 267 HA THR 36 HA THR 36 4.132 12.495 -1.065 268 HB THR 36 HB THR 36 2.039 11.623 -0.440 269 HG1 THR 36 HG1 THR 36 2.092 13.436 0.721 270 HG21 THR 36 3HG2 THR 36 3.508 10.220 1.786 271 HG22 THR 36 1HG2 THR 36 2.608 9.495 0.455 272 HG23 THR 36 2HG2 THR 36 1.751 10.358 1.731 273 H ARG 37 H ARG 37 5.543 13.875 -0.232 274 HA ARG 37 HA ARG 37 6.914 13.148 2.273 275 HB2 ARG 37 1HB ARG 37 8.693 14.762 1.470 276 HB3 ARG 37 2HB ARG 37 8.542 13.268 0.554 277 HG2 ARG 37 1HG ARG 37 7.294 14.430 -1.175 278 HG3 ARG 37 2HG ARG 37 7.379 15.928 -0.247 279 HD2 ARG 37 1HD ARG 37 9.845 15.833 -0.396 280 HD3 ARG 37 2HD ARG 37 9.703 14.395 -1.406 281 HE ARG 37 HE ARG 37 8.224 16.146 -2.771 282 HH11 ARG 37 1HH1 ARG 37 11.381 16.444 -1.336 283 HH12 ARG 37 2HH1 ARG 37 11.947 17.593 -2.503 284 HH21 ARG 37 1HH2 ARG 37 8.956 17.658 -4.314 285 HH22 ARG 37 2HH2 ARG 37 10.566 18.283 -4.196 286 H GLY 38 H GLY 38 5.179 14.065 3.509 287 HA2 GLY 38 1HA GLY 38 5.245 17.020 3.521 288 HA3 GLY 38 2HA GLY 38 3.762 16.115 3.788 289 H VAL 39 H VAL 39 4.441 17.933 5.645 290 HA VAL 39 HA VAL 39 5.597 16.358 7.851 291 HB VAL 39 HB VAL 39 5.401 19.361 7.576 292 HG11 VAL 39 1HG1 VAL 39 7.123 18.901 9.623 293 HG12 VAL 39 2HG1 VAL 39 5.409 19.272 9.823 294 HG13 VAL 39 3HG1 VAL 39 5.960 17.596 9.856 295 HG21 VAL 39 3HG2 VAL 39 7.529 17.382 7.010 296 HG22 VAL 39 1HG2 VAL 39 7.189 18.935 6.247 297 HG23 VAL 39 2HG2 VAL 39 8.020 18.879 7.801 298 H LYS 40 H LYS 40 3.897 15.387 8.809 299 HA LYS 40 HA LYS 40 1.388 16.778 9.189 300 HB2 LYS 40 1HB LYS 40 1.537 14.332 8.651 301 HB3 LYS 40 2HB LYS 40 2.222 14.074 10.250 302 HG2 LYS 40 1HG LYS 40 -0.027 13.553 10.508 303 HG3 LYS 40 2HG LYS 40 0.098 15.199 11.133 304 HD2 LYS 40 1HD LYS 40 -1.739 15.436 9.795 305 HD3 LYS 40 2HD LYS 40 -0.473 15.811 8.624 306 HE2 LYS 40 1HE LYS 40 -0.514 13.289 8.102 307 HE3 LYS 40 2HE LYS 40 -2.066 13.289 8.940 308 HZ1 LYS 40 3HZ LYS 40 -2.628 15.204 7.352 309 HZ2 LYS 40 1HZ LYS 40 -2.637 13.627 6.739 310 HZ3 LYS 40 2HZ LYS 40 -1.324 14.647 6.430 311 H SER 41 H SER 41 2.132 18.509 10.528 312 HA SER 41 HA SER 41 3.418 18.109 13.012 313 HB2 SER 41 1HB SER 41 1.710 20.407 12.029 314 HB3 SER 41 2HB SER 41 2.669 20.439 13.509 315 HG SER 41 HG SER 41 3.973 19.704 11.162 316 H GLY 42 H GLY 42 2.310 16.432 14.075 317 HA2 GLY 42 1HA GLY 42 0.721 16.847 16.129 318 HA3 GLY 42 2HA GLY 42 -0.472 16.928 14.841 319 HA PRO 43 HA PRO 43 -0.315 12.540 16.229 320 HB2 PRO 43 1HB PRO 43 -2.997 12.161 16.044 321 HB3 PRO 43 2HB PRO 43 -2.220 12.843 17.477 322 HG2 PRO 43 1HG PRO 43 -3.625 14.245 15.236 323 HG3 PRO 43 2HG PRO 43 -3.722 14.547 16.981 324 HD2 PRO 43 1HD PRO 43 -2.209 16.061 15.323 325 HD3 PRO 43 2HD PRO 43 -1.755 15.748 17.010 326 H SER 44 H SER 44 -1.148 10.591 15.095 327 HA SER 44 HA SER 44 -1.162 11.052 12.193 328 HB2 SER 44 1HB SER 44 -0.439 8.680 12.022 329 HB3 SER 44 2HB SER 44 0.681 9.662 12.966 330 HG SER 44 HG SER 44 -0.548 7.449 13.708 331 H SER 45 H SER 45 -2.844 10.453 10.961 332 HA SER 45 HA SER 45 -4.851 8.622 12.024 333 HB2 SER 45 1HB SER 45 -6.701 10.130 11.576 334 HB3 SER 45 2HB SER 45 -5.573 10.915 12.680 335 HG SER 45 HG SER 45 -5.186 11.331 9.954 336 H GLY 46 H GLY 46 -6.679 8.429 10.231 337 HA2 GLY 46 1HA GLY 46 -5.527 8.575 7.546 338 HA3 GLY 46 2HA GLY 46 -5.940 6.981 8.159 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -12.405 -1.711 -32.378 2 HA2 GLY 1 1HA GLY 1 -14.162 -0.295 -30.907 3 HA3 GLY 1 2HA GLY 1 -14.908 -1.885 -30.930 4 H SER 2 H SER 2 -14.411 -1.137 -28.515 5 HA SER 2 HA SER 2 -11.820 -2.330 -27.774 6 HB2 SER 2 1HB SER 2 -13.413 -0.104 -26.530 7 HB3 SER 2 2HB SER 2 -12.254 -1.024 -25.570 8 HG SER 2 HG SER 2 -11.795 0.952 -27.325 9 H SER 3 H SER 3 -12.539 -4.448 -27.640 10 HA SER 3 HA SER 3 -14.881 -5.357 -26.455 11 HB2 SER 3 1HB SER 3 -13.608 -7.516 -26.121 12 HB3 SER 3 2HB SER 3 -13.567 -6.874 -27.763 13 HG SER 3 HG SER 3 -11.519 -7.473 -26.226 14 H GLY 4 H GLY 4 -11.675 -4.882 -24.990 15 HA2 GLY 4 1HA GLY 4 -11.343 -4.090 -22.785 16 HA3 GLY 4 2HA GLY 4 -12.983 -4.580 -22.388 17 H SER 5 H SER 5 -9.965 -6.108 -23.524 18 HA SER 5 HA SER 5 -10.555 -8.613 -22.335 19 HB2 SER 5 1HB SER 5 -8.041 -7.391 -23.458 20 HB3 SER 5 2HB SER 5 -8.032 -8.989 -22.712 21 HG SER 5 HG SER 5 -9.246 -8.128 -25.083 22 H SER 6 H SER 6 -11.110 -8.152 -20.174 23 HA SER 6 HA SER 6 -8.836 -8.097 -18.389 24 HB2 SER 6 1HB SER 6 -9.438 -5.675 -18.799 25 HB3 SER 6 2HB SER 6 -10.992 -6.006 -18.034 26 HG SER 6 HG SER 6 -8.703 -6.780 -16.652 27 H GLY 7 H GLY 7 -9.284 -8.940 -16.345 28 HA2 GLY 7 1HA GLY 7 -12.009 -9.578 -15.603 29 HA3 GLY 7 2HA GLY 7 -11.034 -10.970 -16.052 30 H GLN 8 H GLN 8 -10.924 -8.103 -13.943 31 HA GLN 8 HA GLN 8 -9.235 -9.583 -12.070 32 HB2 GLN 8 1HB GLN 8 -9.935 -6.684 -12.408 33 HB3 GLN 8 2HB GLN 8 -9.270 -7.267 -10.887 34 HG2 GLN 8 1HG GLN 8 -7.219 -7.735 -11.801 35 HG3 GLN 8 2HG GLN 8 -7.869 -7.930 -13.429 36 HE21 GLN 8 1HE2 GLN 8 -5.741 -6.521 -13.475 37 HE22 GLN 8 2HE2 GLN 8 -6.032 -4.820 -13.567 38 H LYS 9 H LYS 9 -10.718 -11.004 -11.158 39 HA LYS 9 HA LYS 9 -13.243 -10.241 -10.145 40 HB2 LYS 9 1HB LYS 9 -11.477 -12.579 -9.397 41 HB3 LYS 9 2HB LYS 9 -13.166 -12.405 -8.936 42 HG2 LYS 9 1HG LYS 9 -12.396 -12.320 -11.819 43 HG3 LYS 9 2HG LYS 9 -12.523 -13.868 -10.979 44 HD2 LYS 9 1HD LYS 9 -14.728 -11.826 -10.910 45 HD3 LYS 9 2HD LYS 9 -14.601 -13.025 -12.199 46 HE2 LYS 9 1HE LYS 9 -14.546 -13.858 -9.323 47 HE3 LYS 9 2HE LYS 9 -16.078 -13.537 -10.135 48 HZ1 LYS 9 3HZ LYS 9 -14.333 -15.794 -10.369 49 HZ2 LYS 9 1HZ LYS 9 -14.739 -15.142 -11.876 50 HZ3 LYS 9 2HZ LYS 9 -15.958 -15.637 -10.813 51 H GLU 10 H GLU 10 -10.255 -11.063 -8.370 52 HA GLU 10 HA GLU 10 -11.252 -10.005 -5.912 53 HB2 GLU 10 1HB GLU 10 -9.097 -10.532 -4.999 54 HB3 GLU 10 2HB GLU 10 -9.564 -11.839 -6.077 55 HG2 GLU 10 1HG GLU 10 -8.177 -10.617 -7.848 56 HG3 GLU 10 2HG GLU 10 -7.501 -9.712 -6.496 57 H LYS 11 H LYS 11 -10.036 -8.309 -4.682 58 HA LYS 11 HA LYS 11 -9.707 -5.972 -6.393 59 HB2 LYS 11 1HB LYS 11 -10.038 -6.334 -3.419 60 HB3 LYS 11 2HB LYS 11 -9.615 -4.781 -4.129 61 HG2 LYS 11 1HG LYS 11 -11.683 -4.898 -5.492 62 HG3 LYS 11 2HG LYS 11 -12.117 -6.377 -4.632 63 HD2 LYS 11 1HD LYS 11 -13.253 -4.822 -3.385 64 HD3 LYS 11 2HD LYS 11 -11.720 -4.871 -2.512 65 HE2 LYS 11 1HE LYS 11 -12.273 -2.582 -2.795 66 HE3 LYS 11 2HE LYS 11 -10.974 -2.934 -3.934 67 HZ1 LYS 11 3HZ LYS 11 -13.239 -3.439 -5.353 68 HZ2 LYS 11 1HZ LYS 11 -12.304 -2.033 -5.453 69 HZ3 LYS 11 2HZ LYS 11 -13.659 -2.076 -4.443 70 H CYS 12 H CYS 12 -7.768 -5.322 -7.025 71 HA CYS 12 HA CYS 12 -5.425 -6.123 -5.434 72 HB2 CYS 12 1HB CYS 12 -5.819 -5.664 -8.376 73 HB3 CYS 12 2HB CYS 12 -4.215 -5.541 -7.664 74 HG CYS 12 HG CYS 12 -5.502 -8.162 -8.850 75 H PHE 13 H PHE 13 -4.721 -4.533 -4.177 76 HA PHE 13 HA PHE 13 -5.274 -1.777 -4.722 77 HB2 PHE 13 1HB PHE 13 -3.582 -3.126 -2.613 78 HB3 PHE 13 2HB PHE 13 -3.845 -1.387 -2.685 79 HD1 PHE 13 HD1 PHE 13 -6.383 -0.673 -2.803 80 HD2 PHE 13 HD2 PHE 13 -4.962 -4.385 -1.282 81 HE1 PHE 13 HE1 PHE 13 -8.458 -0.931 -1.506 82 HE2 PHE 13 HE2 PHE 13 -7.035 -4.650 0.017 83 HZ PHE 13 HZ PHE 13 -8.786 -2.923 -0.094 84 H LYS 14 H LYS 14 -4.268 -1.000 -6.503 85 HA LYS 14 HA LYS 14 -1.375 -1.414 -6.769 86 HB2 LYS 14 1HB LYS 14 -2.827 -1.960 -8.713 87 HB3 LYS 14 2HB LYS 14 -3.328 -0.276 -8.778 88 HG2 LYS 14 1HG LYS 14 -1.050 0.409 -9.258 89 HG3 LYS 14 2HG LYS 14 -0.504 -1.265 -9.129 90 HD2 LYS 14 1HD LYS 14 -2.394 -1.624 -10.956 91 HD3 LYS 14 2HD LYS 14 -2.052 0.076 -11.284 92 HE2 LYS 14 1HE LYS 14 -0.523 -0.885 -12.675 93 HE3 LYS 14 2HE LYS 14 0.447 -0.792 -11.206 94 HZ1 LYS 14 3HZ LYS 14 -0.771 -3.163 -10.914 95 HZ2 LYS 14 1HZ LYS 14 0.769 -2.960 -11.584 96 HZ3 LYS 14 2HZ LYS 14 -0.579 -3.108 -12.594 97 H CYS 15 H CYS 15 0.031 0.191 -6.434 98 HA CYS 15 HA CYS 15 -0.759 2.617 -5.252 99 HB2 CYS 15 1HB CYS 15 1.509 1.372 -5.126 100 HB3 CYS 15 2HB CYS 15 1.901 2.244 -6.604 101 H ASN 16 H ASN 16 -0.965 4.677 -6.025 102 HA ASN 16 HA ASN 16 -1.335 4.919 -8.905 103 HB2 ASN 16 1HB ASN 16 -2.342 7.136 -8.314 104 HB3 ASN 16 2HB ASN 16 -3.145 5.762 -7.560 105 HD21 ASN 16 1HD2 ASN 16 -2.188 8.792 -7.009 106 HD22 ASN 16 2HD2 ASN 16 -1.911 8.732 -5.305 107 H LYS 17 H LYS 17 1.341 4.823 -7.539 108 HA LYS 17 HA LYS 17 2.416 7.271 -8.760 109 HB2 LYS 17 1HB LYS 17 2.911 6.192 -6.016 110 HB3 LYS 17 2HB LYS 17 4.220 7.015 -6.854 111 HG2 LYS 17 1HG LYS 17 3.043 9.042 -6.933 112 HG3 LYS 17 2HG LYS 17 1.511 8.263 -6.529 113 HD2 LYS 17 1HD LYS 17 2.247 7.837 -4.288 114 HD3 LYS 17 2HD LYS 17 3.882 8.384 -4.669 115 HE2 LYS 17 1HE LYS 17 1.417 10.118 -4.782 116 HE3 LYS 17 2HE LYS 17 2.537 10.057 -3.423 117 HZ1 LYS 17 3HZ LYS 17 3.923 10.498 -5.861 118 HZ2 LYS 17 1HZ LYS 17 3.902 11.443 -4.458 119 HZ3 LYS 17 2HZ LYS 17 2.721 11.668 -5.647 120 H CYS 18 H CYS 18 3.392 4.140 -7.355 121 HA CYS 18 HA CYS 18 5.513 3.933 -9.357 122 HB2 CYS 18 1HB CYS 18 6.201 1.925 -7.998 123 HB3 CYS 18 2HB CYS 18 6.253 3.458 -7.133 124 H GLU 19 H GLU 19 2.421 2.611 -8.536 125 HA GLU 19 HA GLU 19 1.016 1.254 -9.717 126 HB2 GLU 19 1HB GLU 19 3.165 0.935 -11.804 127 HB3 GLU 19 2HB GLU 19 1.427 0.759 -12.001 128 HG2 GLU 19 1HG GLU 19 2.630 3.382 -11.213 129 HG3 GLU 19 2HG GLU 19 2.566 2.875 -12.900 130 H LYS 20 H LYS 20 2.691 0.246 -7.697 131 HA LYS 20 HA LYS 20 3.443 -2.418 -8.683 132 HB2 LYS 20 1HB LYS 20 4.350 -0.711 -6.423 133 HB3 LYS 20 2HB LYS 20 4.366 -2.452 -6.175 134 HG2 LYS 20 1HG LYS 20 5.718 -2.647 -8.274 135 HG3 LYS 20 2HG LYS 20 5.839 -0.886 -8.277 136 HD2 LYS 20 1HD LYS 20 6.699 -1.193 -5.849 137 HD3 LYS 20 2HD LYS 20 6.992 -2.863 -6.344 138 HE2 LYS 20 1HE LYS 20 9.010 -1.631 -6.683 139 HE3 LYS 20 2HE LYS 20 8.317 -1.980 -8.266 140 HZ1 LYS 20 3HZ LYS 20 8.249 0.598 -6.801 141 HZ2 LYS 20 1HZ LYS 20 7.331 0.293 -8.189 142 HZ3 LYS 20 2HZ LYS 20 9.020 0.267 -8.271 143 H THR 21 H THR 21 2.003 -3.978 -8.414 144 HA THR 21 HA THR 21 -0.319 -3.710 -6.819 145 HB THR 21 HB THR 21 -0.641 -6.163 -7.300 146 HG1 THR 21 HG1 THR 21 0.970 -6.748 -9.120 147 HG21 THR 21 3HG2 THR 21 -0.023 -4.385 -9.663 148 HG22 THR 21 1HG2 THR 21 -1.549 -4.441 -8.781 149 HG23 THR 21 2HG2 THR 21 -1.011 -5.844 -9.705 150 H PHE 22 H PHE 22 -0.775 -4.343 -4.787 151 HA PHE 22 HA PHE 22 1.357 -5.719 -3.290 152 HB2 PHE 22 1HB PHE 22 -0.597 -3.607 -2.366 153 HB3 PHE 22 2HB PHE 22 0.420 -4.539 -1.272 154 HD1 PHE 22 HD1 PHE 22 2.822 -4.188 -1.201 155 HD2 PHE 22 HD2 PHE 22 0.325 -1.883 -3.764 156 HE1 PHE 22 HE1 PHE 22 4.645 -2.565 -1.513 157 HE2 PHE 22 HE2 PHE 22 2.144 -0.257 -4.081 158 HZ PHE 22 HZ PHE 22 4.308 -0.597 -2.955 159 H SER 23 H SER 23 0.317 -6.618 -1.122 160 HA SER 23 HA SER 23 -1.715 -8.504 -2.005 161 HB2 SER 23 1HB SER 23 0.423 -9.130 -0.717 162 HB3 SER 23 2HB SER 23 -0.394 -8.478 0.705 163 HG SER 23 HG SER 23 -0.835 -10.656 0.604 164 H CYS 24 H CYS 24 -1.206 -6.419 0.846 165 HA CYS 24 HA CYS 24 -4.131 -6.313 1.171 166 HB2 CYS 24 1HB CYS 24 -1.945 -5.954 3.231 167 HB3 CYS 24 2HB CYS 24 -3.661 -5.736 3.547 168 HG CYS 24 HG CYS 24 -2.988 -8.705 2.200 169 H SER 25 H SER 25 -4.858 -4.242 2.311 170 HA SER 25 HA SER 25 -4.029 -2.031 0.684 171 HB2 SER 25 1HB SER 25 -6.391 -2.373 1.351 172 HB3 SER 25 2HB SER 25 -5.943 -2.072 3.030 173 HG SER 25 HG SER 25 -5.136 -0.134 1.241 174 H LYS 26 H LYS 26 -3.834 -2.819 4.138 175 HA LYS 26 HA LYS 26 -2.745 -0.513 5.144 176 HB2 LYS 26 1HB LYS 26 -3.365 -2.510 6.483 177 HB3 LYS 26 2HB LYS 26 -1.919 -3.322 5.900 178 HG2 LYS 26 1HG LYS 26 -0.706 -1.225 6.887 179 HG3 LYS 26 2HG LYS 26 -2.184 -1.080 7.841 180 HD2 LYS 26 1HD LYS 26 -1.790 -3.019 8.997 181 HD3 LYS 26 2HD LYS 26 -0.864 -3.743 7.680 182 HE2 LYS 26 1HE LYS 26 1.011 -2.276 8.166 183 HE3 LYS 26 2HE LYS 26 0.082 -1.476 9.432 184 HZ1 LYS 26 3HZ LYS 26 1.729 -3.622 9.762 185 HZ2 LYS 26 1HZ LYS 26 0.184 -4.311 9.786 186 HZ3 LYS 26 2HZ LYS 26 0.576 -3.076 10.873 187 H TYR 27 H TYR 27 -0.866 -3.303 3.949 188 HA TYR 27 HA TYR 27 1.667 -2.300 4.172 189 HB2 TYR 27 1HB TYR 27 0.505 -4.027 1.983 190 HB3 TYR 27 2HB TYR 27 2.229 -3.721 2.166 191 HD1 TYR 27 HD1 TYR 27 2.812 -3.979 4.927 192 HD2 TYR 27 HD2 TYR 27 -0.016 -6.175 2.629 193 HE1 TYR 27 HE1 TYR 27 2.978 -5.847 6.519 194 HE2 TYR 27 HE2 TYR 27 0.141 -8.049 4.215 195 HH TYR 27 HH TYR 27 2.584 -8.324 6.498 196 H LEU 28 H LEU 28 -0.593 -1.779 1.487 197 HA LEU 28 HA LEU 28 1.153 -0.224 -0.093 198 HB2 LEU 28 1HB LEU 28 -0.736 -1.180 -1.141 199 HB3 LEU 28 2HB LEU 28 -1.840 -0.459 0.028 200 HG LEU 28 HG LEU 28 -1.382 1.758 -0.926 201 HD11 LEU 28 1HD1 LEU 28 -0.001 0.507 -3.247 202 HD12 LEU 28 2HD1 LEU 28 0.933 0.879 -1.798 203 HD13 LEU 28 3HD1 LEU 28 0.072 2.163 -2.646 204 HD21 LEU 28 3HD2 LEU 28 -2.616 1.460 -2.977 205 HD22 LEU 28 1HD2 LEU 28 -3.250 0.365 -1.749 206 HD23 LEU 28 2HD2 LEU 28 -2.196 -0.253 -3.022 207 H THR 29 H THR 29 -1.598 0.816 1.929 208 HA THR 29 HA THR 29 -1.462 3.500 1.757 209 HB THR 29 HB THR 29 -1.757 2.005 4.370 210 HG1 THR 29 HG1 THR 29 -3.879 1.814 3.831 211 HG21 THR 29 3HG2 THR 29 -1.526 4.244 4.976 212 HG22 THR 29 1HG2 THR 29 -3.272 4.052 4.823 213 HG23 THR 29 2HG2 THR 29 -2.352 4.822 3.530 214 H GLN 30 H GLN 30 0.402 1.685 4.203 215 HA GLN 30 HA GLN 30 1.939 3.855 5.074 216 HB2 GLN 30 1HB GLN 30 1.701 1.692 6.279 217 HB3 GLN 30 2HB GLN 30 2.735 0.939 5.072 218 HG2 GLN 30 1HG GLN 30 4.612 2.197 5.756 219 HG3 GLN 30 2HG GLN 30 3.620 3.276 6.736 220 HE21 GLN 30 1HE2 GLN 30 4.030 2.954 8.794 221 HE22 GLN 30 2HE2 GLN 30 4.235 1.423 9.569 222 H HIS 31 H HIS 31 2.500 1.497 2.509 223 HA HIS 31 HA HIS 31 5.143 2.133 1.892 224 HB2 HIS 31 1HB HIS 31 4.438 0.245 0.781 225 HB3 HIS 31 2HB HIS 31 2.865 0.933 0.386 226 HD1 HIS 31 HD1 HIS 31 6.110 0.210 -1.055 227 HD2 HIS 31 HD2 HIS 31 3.044 2.916 -1.784 228 HE1 HIS 31 HE1 HIS 31 6.508 1.064 -3.386 229 H GLU 32 H GLU 32 2.173 3.379 0.356 230 HA GLU 32 HA GLU 32 3.066 5.095 -1.482 231 HB2 GLU 32 1HB GLU 32 0.985 5.755 0.608 232 HB3 GLU 32 2HB GLU 32 1.208 6.635 -0.897 233 HG2 GLU 32 1HG GLU 32 0.712 4.560 -2.141 234 HG3 GLU 32 2HG GLU 32 0.389 3.754 -0.607 235 H ARG 33 H ARG 33 3.504 5.463 1.957 236 HA ARG 33 HA ARG 33 4.189 8.144 2.142 237 HB2 ARG 33 1HB ARG 33 5.394 5.822 3.660 238 HB3 ARG 33 2HB ARG 33 5.490 7.512 4.134 239 HG2 ARG 33 1HG ARG 33 3.134 7.612 4.514 240 HG3 ARG 33 2HG ARG 33 2.907 6.002 3.827 241 HD2 ARG 33 1HD ARG 33 3.873 4.949 5.659 242 HD3 ARG 33 2HD ARG 33 4.712 6.410 6.179 243 HE ARG 33 HE ARG 33 1.885 6.720 6.302 244 HH11 ARG 33 1HH1 ARG 33 4.612 5.326 7.956 245 HH12 ARG 33 2HH1 ARG 33 3.860 5.381 9.516 246 HH21 ARG 33 1HH2 ARG 33 0.884 6.798 8.350 247 HH22 ARG 33 2HH2 ARG 33 1.739 6.218 9.739 248 H ILE 34 H ILE 34 6.310 5.367 1.470 249 HA ILE 34 HA ILE 34 8.766 6.466 1.354 250 HB ILE 34 HB ILE 34 9.408 4.877 -0.312 251 HG12 ILE 34 1HG1 ILE 34 6.601 4.087 -0.935 252 HG13 ILE 34 2HG1 ILE 34 7.235 5.541 -1.698 253 HG21 ILE 34 1HG2 ILE 34 8.549 2.830 0.619 254 HG22 ILE 34 2HG2 ILE 34 8.747 4.012 1.911 255 HG23 ILE 34 3HG2 ILE 34 7.141 3.672 1.267 256 HD11 ILE 34 3HD1 ILE 34 7.441 3.367 -2.982 257 HD12 ILE 34 1HD1 ILE 34 8.898 4.349 -2.833 258 HD13 ILE 34 2HD1 ILE 34 8.688 2.923 -1.816 259 H HIS 35 H HIS 35 6.115 7.231 -0.730 260 HA HIS 35 HA HIS 35 7.790 8.617 -2.659 261 HB2 HIS 35 1HB HIS 35 4.772 8.503 -2.493 262 HB3 HIS 35 2HB HIS 35 5.728 9.058 -3.864 263 HD1 HIS 35 HD1 HIS 35 7.614 6.918 -4.482 264 HD2 HIS 35 HD2 HIS 35 3.800 6.062 -3.073 265 HE1 HIS 35 HE1 HIS 35 7.146 4.554 -5.201 266 H THR 36 H THR 36 5.110 9.487 -0.473 267 HA THR 36 HA THR 36 5.662 12.302 -0.759 268 HB THR 36 HB THR 36 3.866 12.601 0.929 269 HG1 THR 36 HG1 THR 36 3.379 10.951 2.147 270 HG21 THR 36 3HG2 THR 36 3.281 12.486 -1.432 271 HG22 THR 36 1HG2 THR 36 2.031 11.715 -0.456 272 HG23 THR 36 2HG2 THR 36 3.192 10.727 -1.343 273 H ARG 37 H ARG 37 7.638 12.809 0.080 274 HA ARG 37 HA ARG 37 8.075 12.180 2.925 275 HB2 ARG 37 1HB ARG 37 10.469 12.369 2.500 276 HB3 ARG 37 2HB ARG 37 9.748 11.169 1.436 277 HG2 ARG 37 1HG ARG 37 10.034 12.460 -0.443 278 HG3 ARG 37 2HG ARG 37 10.067 13.970 0.471 279 HD2 ARG 37 1HD ARG 37 12.265 13.440 1.332 280 HD3 ARG 37 2HD ARG 37 12.226 11.866 0.539 281 HE ARG 37 HE ARG 37 12.875 12.882 -1.397 282 HH11 ARG 37 1HH1 ARG 37 11.573 15.294 0.749 283 HH12 ARG 37 2HH1 ARG 37 11.997 16.624 -0.277 284 HH21 ARG 37 1HH2 ARG 37 13.437 14.624 -2.758 285 HH22 ARG 37 2HH2 ARG 37 13.056 16.242 -2.272 286 H GLY 38 H GLY 38 8.554 13.810 4.334 287 HA2 GLY 38 1HA GLY 38 8.216 16.534 3.281 288 HA3 GLY 38 2HA GLY 38 7.943 16.039 4.945 289 H VAL 39 H VAL 39 9.534 18.257 4.020 290 HA VAL 39 HA VAL 39 12.264 17.817 3.934 291 HB VAL 39 HB VAL 39 12.536 20.102 4.823 292 HG11 VAL 39 1HG1 VAL 39 11.213 21.258 3.072 293 HG12 VAL 39 2HG1 VAL 39 12.086 19.847 2.472 294 HG13 VAL 39 3HG1 VAL 39 10.351 19.749 2.776 295 HG21 VAL 39 3HG2 VAL 39 10.961 21.214 5.978 296 HG22 VAL 39 1HG2 VAL 39 9.655 20.634 4.945 297 HG23 VAL 39 2HG2 VAL 39 10.269 19.614 6.247 298 H LYS 40 H LYS 40 13.889 17.636 5.441 299 HA LYS 40 HA LYS 40 13.396 16.216 7.779 300 HB2 LYS 40 1HB LYS 40 15.607 16.681 6.402 301 HB3 LYS 40 2HB LYS 40 15.825 17.946 7.605 302 HG2 LYS 40 1HG LYS 40 16.988 16.105 8.447 303 HG3 LYS 40 2HG LYS 40 15.471 16.128 9.349 304 HD2 LYS 40 1HD LYS 40 15.539 13.916 8.792 305 HD3 LYS 40 2HD LYS 40 14.701 14.541 7.371 306 HE2 LYS 40 1HE LYS 40 17.672 14.469 7.329 307 HE3 LYS 40 2HE LYS 40 16.804 12.943 7.169 308 HZ1 LYS 40 3HZ LYS 40 15.559 14.755 5.479 309 HZ2 LYS 40 1HZ LYS 40 16.510 13.425 5.043 310 HZ3 LYS 40 2HZ LYS 40 17.221 14.948 5.230 311 H SER 41 H SER 41 14.082 19.680 7.373 312 HA SER 41 HA SER 41 13.778 20.235 10.172 313 HB2 SER 41 1HB SER 41 13.967 22.605 9.481 314 HB3 SER 41 2HB SER 41 15.258 21.614 8.802 315 HG SER 41 HG SER 41 14.317 23.019 7.248 316 H GLY 42 H GLY 42 12.126 21.521 11.132 317 HA2 GLY 42 1HA GLY 42 9.525 20.741 10.574 318 HA3 GLY 42 2HA GLY 42 9.955 22.155 11.525 319 HA PRO 43 HA PRO 43 8.215 23.145 7.134 320 HB2 PRO 43 1HB PRO 43 5.537 23.104 7.578 321 HB3 PRO 43 2HB PRO 43 6.435 21.699 6.992 322 HG2 PRO 43 1HG PRO 43 5.524 22.340 9.770 323 HG3 PRO 43 2HG PRO 43 5.469 20.794 8.904 324 HD2 PRO 43 1HD PRO 43 7.380 21.372 10.734 325 HD3 PRO 43 2HD PRO 43 7.689 20.336 9.326 326 H SER 44 H SER 44 7.852 25.252 6.667 327 HA SER 44 HA SER 44 6.777 26.989 8.780 328 HB2 SER 44 1HB SER 44 9.227 27.596 7.107 329 HB3 SER 44 2HB SER 44 8.488 28.682 8.284 330 HG SER 44 HG SER 44 9.644 27.712 9.729 331 H SER 45 H SER 45 5.928 29.026 8.006 332 HA SER 45 HA SER 45 4.451 28.706 5.583 333 HB2 SER 45 1HB SER 45 3.702 29.928 7.709 334 HB3 SER 45 2HB SER 45 4.696 31.273 7.150 335 HG SER 45 HG SER 45 3.343 30.738 5.076 336 H GLY 46 H GLY 46 5.584 28.784 3.725 337 HA2 GLY 46 1HA GLY 46 7.600 30.883 3.370 338 HA3 GLY 46 2HA GLY 46 7.374 29.482 2.333 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -27.883 -10.079 -21.522 2 HA2 GLY 1 1HA GLY 1 -25.632 -11.379 -22.917 3 HA3 GLY 1 2HA GLY 1 -25.508 -9.710 -22.382 4 H SER 2 H SER 2 -24.186 -9.621 -20.696 5 HA SER 2 HA SER 2 -24.802 -11.116 -18.310 6 HB2 SER 2 1HB SER 2 -22.629 -12.193 -18.082 7 HB3 SER 2 2HB SER 2 -23.394 -12.716 -19.582 8 HG SER 2 HG SER 2 -21.150 -11.115 -19.185 9 H SER 3 H SER 3 -24.721 -9.608 -16.794 10 HA SER 3 HA SER 3 -23.405 -7.136 -17.074 11 HB2 SER 3 1HB SER 3 -24.110 -6.672 -14.834 12 HB3 SER 3 2HB SER 3 -25.387 -7.630 -15.582 13 HG SER 3 HG SER 3 -25.120 -8.953 -13.984 14 H GLY 4 H GLY 4 -21.927 -6.384 -15.119 15 HA2 GLY 4 1HA GLY 4 -19.537 -8.034 -15.329 16 HA3 GLY 4 2HA GLY 4 -19.623 -6.398 -14.694 17 H SER 5 H SER 5 -20.963 -9.607 -13.894 18 HA SER 5 HA SER 5 -20.228 -9.083 -11.088 19 HB2 SER 5 1HB SER 5 -22.624 -9.086 -11.236 20 HB3 SER 5 2HB SER 5 -22.619 -10.561 -12.203 21 HG SER 5 HG SER 5 -22.683 -11.610 -10.398 22 H SER 6 H SER 6 -18.510 -10.264 -10.582 23 HA SER 6 HA SER 6 -18.151 -12.894 -11.821 24 HB2 SER 6 1HB SER 6 -15.834 -12.749 -10.979 25 HB3 SER 6 2HB SER 6 -16.251 -11.356 -11.976 26 HG SER 6 HG SER 6 -15.249 -11.247 -9.618 27 H GLY 7 H GLY 7 -17.013 -14.526 -10.295 28 HA2 GLY 7 1HA GLY 7 -18.794 -14.880 -8.025 29 HA3 GLY 7 2HA GLY 7 -17.660 -16.063 -8.658 30 H GLN 8 H GLN 8 -15.261 -15.133 -8.460 31 HA GLN 8 HA GLN 8 -14.758 -15.008 -5.661 32 HB2 GLN 8 1HB GLN 8 -13.309 -15.979 -7.627 33 HB3 GLN 8 2HB GLN 8 -12.660 -14.346 -7.688 34 HG2 GLN 8 1HG GLN 8 -11.288 -15.845 -6.328 35 HG3 GLN 8 2HG GLN 8 -11.941 -14.502 -5.391 36 HE21 GLN 8 1HE2 GLN 8 -12.282 -17.920 -6.100 37 HE22 GLN 8 2HE2 GLN 8 -13.090 -18.337 -4.631 38 H LYS 9 H LYS 9 -13.643 -13.342 -4.513 39 HA LYS 9 HA LYS 9 -14.465 -10.680 -5.375 40 HB2 LYS 9 1HB LYS 9 -13.597 -11.882 -2.770 41 HB3 LYS 9 2HB LYS 9 -13.520 -10.139 -2.992 42 HG2 LYS 9 1HG LYS 9 -16.044 -11.622 -3.593 43 HG3 LYS 9 2HG LYS 9 -15.625 -11.196 -1.932 44 HD2 LYS 9 1HD LYS 9 -15.528 -9.113 -4.075 45 HD3 LYS 9 2HD LYS 9 -17.077 -9.572 -3.364 46 HE2 LYS 9 1HE LYS 9 -16.016 -9.144 -1.108 47 HE3 LYS 9 2HE LYS 9 -14.669 -8.413 -1.979 48 HZ1 LYS 9 3HZ LYS 9 -16.846 -7.082 -1.158 49 HZ2 LYS 9 1HZ LYS 9 -17.277 -7.441 -2.754 50 HZ3 LYS 9 2HZ LYS 9 -15.853 -6.586 -2.435 51 H GLU 10 H GLU 10 -12.888 -10.446 -7.055 52 HA GLU 10 HA GLU 10 -10.114 -10.643 -6.656 53 HB2 GLU 10 1HB GLU 10 -11.839 -9.221 -8.653 54 HB3 GLU 10 2HB GLU 10 -10.102 -8.945 -8.641 55 HG2 GLU 10 1HG GLU 10 -9.870 -11.479 -8.773 56 HG3 GLU 10 2HG GLU 10 -11.584 -11.492 -9.184 57 H LYS 11 H LYS 11 -9.188 -9.599 -4.993 58 HA LYS 11 HA LYS 11 -9.711 -6.712 -4.717 59 HB2 LYS 11 1HB LYS 11 -10.373 -7.924 -2.727 60 HB3 LYS 11 2HB LYS 11 -8.810 -8.727 -2.652 61 HG2 LYS 11 1HG LYS 11 -7.709 -6.779 -1.979 62 HG3 LYS 11 2HG LYS 11 -9.046 -5.744 -2.486 63 HD2 LYS 11 1HD LYS 11 -9.570 -7.794 -0.395 64 HD3 LYS 11 2HD LYS 11 -8.648 -6.358 0.058 65 HE2 LYS 11 1HE LYS 11 -10.769 -5.618 0.479 66 HE3 LYS 11 2HE LYS 11 -10.602 -5.122 -1.205 67 HZ1 LYS 11 3HZ LYS 11 -12.152 -6.574 -1.866 68 HZ2 LYS 11 1HZ LYS 11 -12.632 -6.590 -0.243 69 HZ3 LYS 11 2HZ LYS 11 -11.612 -7.803 -0.836 70 H CYS 12 H CYS 12 -8.144 -5.546 -5.607 71 HA CYS 12 HA CYS 12 -5.368 -6.201 -4.979 72 HB2 CYS 12 1HB CYS 12 -4.647 -5.913 -7.295 73 HB3 CYS 12 2HB CYS 12 -5.803 -7.233 -7.172 74 HG CYS 12 HG CYS 12 -5.988 -4.405 -8.917 75 H PHE 13 H PHE 13 -4.081 -4.444 -4.692 76 HA PHE 13 HA PHE 13 -5.255 -1.809 -5.287 77 HB2 PHE 13 1HB PHE 13 -3.572 -2.451 -2.861 78 HB3 PHE 13 2HB PHE 13 -4.412 -0.943 -3.205 79 HD1 PHE 13 HD2 PHE 13 -4.813 -4.439 -2.172 80 HD2 PHE 13 HD1 PHE 13 -6.757 -0.705 -2.799 81 HE1 PHE 13 HE2 PHE 13 -6.782 -5.263 -0.949 82 HE2 PHE 13 HE1 PHE 13 -8.729 -1.522 -1.576 83 HZ PHE 13 HZ PHE 13 -8.744 -3.804 -0.650 84 H LYS 14 H LYS 14 -4.084 -1.078 -6.951 85 HA LYS 14 HA LYS 14 -1.174 -1.454 -6.920 86 HB2 LYS 14 1HB LYS 14 -2.795 -1.996 -8.935 87 HB3 LYS 14 2HB LYS 14 -2.626 -0.274 -9.249 88 HG2 LYS 14 1HG LYS 14 -0.389 -0.447 -9.761 89 HG3 LYS 14 2HG LYS 14 -0.186 -1.939 -8.840 90 HD2 LYS 14 1HD LYS 14 -0.102 -2.652 -11.057 91 HD3 LYS 14 2HD LYS 14 -1.771 -2.978 -10.585 92 HE2 LYS 14 1HE LYS 14 -1.075 -0.357 -11.836 93 HE3 LYS 14 2HE LYS 14 -1.243 -1.787 -12.853 94 HZ1 LYS 14 3HZ LYS 14 -3.391 -1.197 -12.867 95 HZ2 LYS 14 1HZ LYS 14 -3.269 -0.261 -11.463 96 HZ3 LYS 14 2HZ LYS 14 -3.449 -1.939 -11.347 97 H CYS 15 H CYS 15 0.093 0.172 -6.333 98 HA CYS 15 HA CYS 15 -0.765 2.639 -5.448 99 HB2 CYS 15 1HB CYS 15 1.563 1.419 -5.277 100 HB3 CYS 15 2HB CYS 15 1.951 2.404 -6.683 101 H ASN 16 H ASN 16 0.244 4.769 -6.449 102 HA ASN 16 HA ASN 16 -0.750 4.904 -9.215 103 HB2 ASN 16 1HB ASN 16 -0.784 6.852 -6.936 104 HB3 ASN 16 2HB ASN 16 -0.833 7.450 -8.592 105 HD21 ASN 16 1HD2 ASN 16 -2.750 7.640 -9.496 106 HD22 ASN 16 2HD2 ASN 16 -4.201 6.862 -8.971 107 H LYS 17 H LYS 17 1.659 6.449 -7.086 108 HA LYS 17 HA LYS 17 3.164 7.669 -9.093 109 HB2 LYS 17 1HB LYS 17 4.114 6.609 -6.425 110 HB3 LYS 17 2HB LYS 17 4.982 7.760 -7.433 111 HG2 LYS 17 1HG LYS 17 2.207 8.409 -6.577 112 HG3 LYS 17 2HG LYS 17 3.525 8.564 -5.413 113 HD2 LYS 17 1HD LYS 17 4.512 10.287 -6.555 114 HD3 LYS 17 2HD LYS 17 3.887 9.753 -8.117 115 HE2 LYS 17 1HE LYS 17 1.575 10.382 -7.093 116 HE3 LYS 17 2HE LYS 17 2.539 11.344 -5.973 117 HZ1 LYS 17 3HZ LYS 17 3.538 12.461 -7.894 118 HZ2 LYS 17 1HZ LYS 17 1.861 12.677 -7.843 119 HZ3 LYS 17 2HZ LYS 17 2.539 11.577 -8.934 120 H CYS 18 H CYS 18 4.089 4.720 -7.306 121 HA CYS 18 HA CYS 18 5.947 3.981 -9.387 122 HB2 CYS 18 1HB CYS 18 6.470 2.067 -7.940 123 HB3 CYS 18 2HB CYS 18 6.510 3.577 -7.036 124 H GLU 19 H GLU 19 2.763 3.011 -8.290 125 HA GLU 19 HA GLU 19 1.137 1.779 -9.310 126 HB2 GLU 19 1HB GLU 19 3.001 1.431 -11.654 127 HB3 GLU 19 2HB GLU 19 1.247 1.317 -11.646 128 HG2 GLU 19 1HG GLU 19 2.558 3.880 -10.875 129 HG3 GLU 19 2HG GLU 19 2.425 3.440 -12.576 130 H LYS 20 H LYS 20 2.778 0.544 -7.499 131 HA LYS 20 HA LYS 20 3.492 -2.050 -8.652 132 HB2 LYS 20 1HB LYS 20 4.063 -0.749 -5.995 133 HB3 LYS 20 2HB LYS 20 4.382 -2.454 -6.287 134 HG2 LYS 20 1HG LYS 20 5.946 -1.915 -8.033 135 HG3 LYS 20 2HG LYS 20 5.550 -0.199 -7.904 136 HD2 LYS 20 1HD LYS 20 6.456 -0.121 -5.662 137 HD3 LYS 20 2HD LYS 20 6.750 -1.862 -5.689 138 HE2 LYS 20 1HE LYS 20 8.522 -1.670 -7.160 139 HE3 LYS 20 2HE LYS 20 7.962 -0.124 -7.795 140 HZ1 LYS 20 3HZ LYS 20 9.252 0.924 -6.353 141 HZ2 LYS 20 1HZ LYS 20 9.857 -0.560 -5.811 142 HZ3 LYS 20 2HZ LYS 20 8.519 0.137 -5.047 143 H THR 21 H THR 21 2.390 -3.885 -8.256 144 HA THR 21 HA THR 21 -0.218 -3.682 -7.068 145 HB THR 21 HB THR 21 -0.451 -6.068 -7.651 146 HG1 THR 21 HG1 THR 21 2.293 -5.773 -8.331 147 HG21 THR 21 3HG2 THR 21 -0.796 -4.200 -9.324 148 HG22 THR 21 1HG2 THR 21 -0.477 -5.792 -10.010 149 HG23 THR 21 2HG2 THR 21 0.806 -4.584 -9.953 150 H PHE 22 H PHE 22 -0.889 -4.365 -5.111 151 HA PHE 22 HA PHE 22 1.105 -5.665 -3.374 152 HB2 PHE 22 1HB PHE 22 -0.997 -3.610 -2.671 153 HB3 PHE 22 2HB PHE 22 -0.072 -4.511 -1.474 154 HD1 PHE 22 HD2 PHE 22 0.058 -1.911 -4.045 155 HD2 PHE 22 HD1 PHE 22 2.251 -4.029 -1.075 156 HE1 PHE 22 HE2 PHE 22 1.848 -0.228 -4.172 157 HE2 PHE 22 HE1 PHE 22 4.044 -2.349 -1.196 158 HZ PHE 22 HZ PHE 22 3.845 -0.446 -2.747 159 H SER 23 H SER 23 -0.095 -6.653 -1.369 160 HA SER 23 HA SER 23 -2.201 -8.383 -2.464 161 HB2 SER 23 1HB SER 23 -1.605 -9.869 -0.505 162 HB3 SER 23 2HB SER 23 -0.321 -9.653 -1.695 163 HG SER 23 HG SER 23 -0.436 -7.895 0.478 164 H CYS 24 H CYS 24 -1.477 -6.120 0.084 165 HA CYS 24 HA CYS 24 -4.283 -6.278 0.951 166 HB2 CYS 24 1HB CYS 24 -1.806 -6.415 2.596 167 HB3 CYS 24 2HB CYS 24 -3.162 -5.502 3.248 168 HG CYS 24 HG CYS 24 -4.142 -7.598 4.351 169 H SER 25 H SER 25 -4.762 -4.254 2.399 170 HA SER 25 HA SER 25 -4.073 -1.950 0.764 171 HB2 SER 25 1HB SER 25 -6.099 -2.406 2.954 172 HB3 SER 25 2HB SER 25 -5.793 -0.809 2.272 173 HG SER 25 HG SER 25 -6.565 -3.102 0.785 174 H LYS 26 H LYS 26 -3.779 -3.028 4.118 175 HA LYS 26 HA LYS 26 -2.730 -0.721 5.255 176 HB2 LYS 26 1HB LYS 26 -1.842 -2.139 6.998 177 HB3 LYS 26 2HB LYS 26 -3.421 -2.744 6.515 178 HG2 LYS 26 1HG LYS 26 -2.283 -4.704 6.591 179 HG3 LYS 26 2HG LYS 26 -1.954 -4.254 4.916 180 HD2 LYS 26 1HD LYS 26 0.158 -4.792 5.669 181 HD3 LYS 26 2HD LYS 26 0.122 -3.050 5.951 182 HE2 LYS 26 1HE LYS 26 1.026 -4.078 7.903 183 HE3 LYS 26 2HE LYS 26 -0.603 -3.531 8.296 184 HZ1 LYS 26 3HZ LYS 26 -1.075 -5.588 8.916 185 HZ2 LYS 26 1HZ LYS 26 0.461 -6.130 8.456 186 HZ3 LYS 26 2HZ LYS 26 -0.808 -6.136 7.338 187 H TYR 27 H TYR 27 -1.103 -3.301 3.474 188 HA TYR 27 HA TYR 27 1.539 -2.431 3.935 189 HB2 TYR 27 1HB TYR 27 0.262 -4.146 1.821 190 HB3 TYR 27 2HB TYR 27 1.972 -3.736 1.744 191 HD1 TYR 27 HD1 TYR 27 2.776 -3.869 4.559 192 HD2 TYR 27 HD2 TYR 27 0.178 -6.409 2.344 193 HE1 TYR 27 HE1 TYR 27 3.291 -5.722 6.092 194 HE2 TYR 27 HE2 TYR 27 0.686 -8.269 3.872 195 HH TYR 27 HH TYR 27 3.238 -8.125 6.157 196 H LEU 28 H LEU 28 -0.778 -1.723 1.354 197 HA LEU 28 HA LEU 28 0.994 -0.148 -0.202 198 HB2 LEU 28 1HB LEU 28 -0.975 -1.121 -1.189 199 HB3 LEU 28 2HB LEU 28 -2.016 -0.233 -0.078 200 HG LEU 28 HG LEU 28 -1.279 1.879 -1.157 201 HD11 LEU 28 1HD1 LEU 28 0.194 1.979 -2.874 202 HD12 LEU 28 2HD1 LEU 28 -0.238 0.384 -3.488 203 HD13 LEU 28 3HD1 LEU 28 0.827 0.532 -2.089 204 HD21 LEU 28 3HD2 LEU 28 -3.366 0.955 -1.839 205 HD22 LEU 28 1HD2 LEU 28 -2.571 -0.234 -2.871 206 HD23 LEU 28 2HD2 LEU 28 -2.520 1.477 -3.296 207 H THR 29 H THR 29 -1.598 0.731 2.075 208 HA THR 29 HA THR 29 -1.545 3.445 1.965 209 HB THR 29 HB THR 29 -1.629 1.907 4.565 210 HG1 THR 29 HG1 THR 29 -3.960 1.984 4.104 211 HG21 THR 29 3HG2 THR 29 -3.347 4.253 4.156 212 HG22 THR 29 1HG2 THR 29 -1.620 4.607 4.194 213 HG23 THR 29 2HG2 THR 29 -2.382 3.785 5.556 214 H GLN 30 H GLN 30 0.433 1.599 4.296 215 HA GLN 30 HA GLN 30 2.002 3.744 5.138 216 HB2 GLN 30 1HB GLN 30 1.799 1.420 6.172 217 HB3 GLN 30 2HB GLN 30 2.987 0.901 4.984 218 HG2 GLN 30 1HG GLN 30 4.352 2.928 5.944 219 HG3 GLN 30 2HG GLN 30 3.310 2.677 7.344 220 HE21 GLN 30 1HE2 GLN 30 6.195 2.301 7.039 221 HE22 GLN 30 2HE2 GLN 30 6.507 0.657 7.468 222 H HIS 31 H HIS 31 2.604 1.359 2.579 223 HA HIS 31 HA HIS 31 5.153 2.076 1.825 224 HB2 HIS 31 1HB HIS 31 4.365 0.218 0.696 225 HB3 HIS 31 2HB HIS 31 2.809 0.963 0.341 226 HD1 HIS 31 HD1 HIS 31 6.131 0.347 -1.079 227 HD2 HIS 31 HD2 HIS 31 2.904 2.847 -1.851 228 HE1 HIS 31 HE1 HIS 31 6.499 1.221 -3.409 229 H GLU 32 H GLU 32 2.137 3.349 0.401 230 HA GLU 32 HA GLU 32 2.953 5.139 -1.387 231 HB2 GLU 32 1HB GLU 32 0.897 5.533 0.779 232 HB3 GLU 32 2HB GLU 32 1.153 6.724 -0.489 233 HG2 GLU 32 1HG GLU 32 0.823 4.687 -2.080 234 HG3 GLU 32 2HG GLU 32 0.033 3.970 -0.676 235 H ARG 33 H ARG 33 3.362 5.503 2.085 236 HA ARG 33 HA ARG 33 4.098 8.131 2.325 237 HB2 ARG 33 1HB ARG 33 5.377 5.763 3.704 238 HB3 ARG 33 2HB ARG 33 5.498 7.436 4.234 239 HG2 ARG 33 1HG ARG 33 2.904 5.931 3.992 240 HG3 ARG 33 2HG ARG 33 3.837 6.072 5.483 241 HD2 ARG 33 1HD ARG 33 2.292 7.786 5.689 242 HD3 ARG 33 2HD ARG 33 3.706 8.617 5.042 243 HE ARG 33 HE ARG 33 2.279 7.920 2.832 244 HH11 ARG 33 1HH1 ARG 33 1.560 9.681 5.748 245 HH12 ARG 33 2HH1 ARG 33 0.375 10.698 4.996 246 HH21 ARG 33 1HH2 ARG 33 0.722 9.253 1.831 247 HH22 ARG 33 2HH2 ARG 33 -0.101 10.453 2.769 248 H ILE 34 H ILE 34 6.233 5.411 1.483 249 HA ILE 34 HA ILE 34 8.668 6.524 1.309 250 HB ILE 34 HB ILE 34 9.254 5.025 -0.444 251 HG12 ILE 34 1HG1 ILE 34 6.375 4.430 -1.053 252 HG13 ILE 34 2HG1 ILE 34 7.184 5.783 -1.835 253 HG21 ILE 34 1HG2 ILE 34 8.995 3.356 0.992 254 HG22 ILE 34 2HG2 ILE 34 7.666 4.211 1.775 255 HG23 ILE 34 3HG2 ILE 34 7.342 3.132 0.418 256 HD11 ILE 34 3HD1 ILE 34 8.793 4.321 -2.829 257 HD12 ILE 34 1HD1 ILE 34 8.169 2.944 -1.921 258 HD13 ILE 34 2HD1 ILE 34 7.177 3.701 -3.168 259 H HIS 35 H HIS 35 5.942 7.347 -0.676 260 HA HIS 35 HA HIS 35 7.543 8.875 -2.556 261 HB2 HIS 35 1HB HIS 35 4.534 8.679 -2.315 262 HB3 HIS 35 2HB HIS 35 5.431 9.360 -3.669 263 HD1 HIS 35 HD1 HIS 35 7.390 7.298 -4.429 264 HD2 HIS 35 HD2 HIS 35 3.581 6.290 -3.112 265 HE1 HIS 35 HE1 HIS 35 6.960 4.987 -5.322 266 H THR 36 H THR 36 4.913 9.576 -0.251 267 HA THR 36 HA THR 36 5.264 12.401 -0.431 268 HB THR 36 HB THR 36 3.767 12.466 1.587 269 HG1 THR 36 HG1 THR 36 2.777 10.166 1.800 270 HG21 THR 36 3HG2 THR 36 3.039 11.050 -0.944 271 HG22 THR 36 1HG2 THR 36 2.576 12.657 -0.388 272 HG23 THR 36 2HG2 THR 36 1.838 11.227 0.334 273 H ARG 37 H ARG 37 7.082 13.333 0.261 274 HA ARG 37 HA ARG 37 8.918 12.341 2.069 275 HB2 ARG 37 1HB ARG 37 8.265 15.101 1.113 276 HB3 ARG 37 2HB ARG 37 9.439 14.893 2.406 277 HG2 ARG 37 1HG ARG 37 9.643 13.486 -0.243 278 HG3 ARG 37 2HG ARG 37 10.385 15.053 0.088 279 HD2 ARG 37 1HD ARG 37 11.835 14.153 1.694 280 HD3 ARG 37 2HD ARG 37 10.887 12.675 1.846 281 HE ARG 37 HE ARG 37 12.916 13.241 -0.111 282 HH11 ARG 37 1HH1 ARG 37 10.088 11.347 0.621 283 HH12 ARG 37 2HH1 ARG 37 10.496 10.073 -0.481 284 HH21 ARG 37 1HH2 ARG 37 13.464 11.571 -1.564 285 HH22 ARG 37 2HH2 ARG 37 12.417 10.201 -1.723 286 H GLY 38 H GLY 38 6.584 14.956 2.773 287 HA2 GLY 38 1HA GLY 38 5.846 13.820 5.289 288 HA3 GLY 38 2HA GLY 38 6.984 15.144 5.491 289 H VAL 39 H VAL 39 5.984 16.954 6.032 290 HA VAL 39 HA VAL 39 3.205 17.380 5.362 291 HB VAL 39 HB VAL 39 3.450 19.486 6.651 292 HG11 VAL 39 1HG1 VAL 39 4.537 17.907 8.703 293 HG12 VAL 39 2HG1 VAL 39 2.832 18.160 8.323 294 HG13 VAL 39 3HG1 VAL 39 3.702 16.797 7.617 295 HG21 VAL 39 3HG2 VAL 39 5.871 19.800 6.054 296 HG22 VAL 39 1HG2 VAL 39 5.479 20.057 7.754 297 HG23 VAL 39 2HG2 VAL 39 6.253 18.557 7.244 298 H LYS 40 H LYS 40 6.339 18.615 4.387 299 HA LYS 40 HA LYS 40 5.396 19.551 1.903 300 HB2 LYS 40 1HB LYS 40 4.418 21.325 3.345 301 HB3 LYS 40 2HB LYS 40 6.038 21.733 3.897 302 HG2 LYS 40 1HG LYS 40 6.635 22.674 1.883 303 HG3 LYS 40 2HG LYS 40 5.432 21.754 0.976 304 HD2 LYS 40 1HD LYS 40 3.721 23.119 2.386 305 HD3 LYS 40 2HD LYS 40 5.081 24.215 2.642 306 HE2 LYS 40 1HE LYS 40 3.834 24.994 0.753 307 HE3 LYS 40 2HE LYS 40 5.362 24.336 0.171 308 HZ1 LYS 40 3HZ LYS 40 4.039 23.246 -1.253 309 HZ2 LYS 40 1HZ LYS 40 2.658 23.412 -0.290 310 HZ3 LYS 40 2HZ LYS 40 3.778 22.188 0.040 311 H SER 41 H SER 41 7.116 18.850 0.808 312 HA SER 41 HA SER 41 9.707 20.056 1.372 313 HB2 SER 41 1HB SER 41 9.263 17.065 1.273 314 HB3 SER 41 2HB SER 41 10.849 17.833 1.191 315 HG SER 41 HG SER 41 9.429 17.228 3.349 316 H GLY 42 H GLY 42 10.951 20.364 -0.428 317 HA2 GLY 42 1HA GLY 42 10.101 19.099 -2.937 318 HA3 GLY 42 2HA GLY 42 10.131 20.854 -2.854 319 HA PRO 43 HA PRO 43 14.238 19.541 -4.464 320 HB2 PRO 43 1HB PRO 43 14.428 21.577 -6.250 321 HB3 PRO 43 2HB PRO 43 13.588 20.063 -6.605 322 HG2 PRO 43 1HG PRO 43 12.458 22.703 -5.760 323 HG3 PRO 43 2HG PRO 43 11.872 21.581 -7.002 324 HD2 PRO 43 1HD PRO 43 10.770 21.725 -4.533 325 HD3 PRO 43 2HD PRO 43 10.843 20.212 -5.460 326 H SER 44 H SER 44 16.256 20.464 -4.090 327 HA SER 44 HA SER 44 16.465 23.177 -3.104 328 HB2 SER 44 1HB SER 44 17.493 22.511 -0.953 329 HB3 SER 44 2HB SER 44 15.810 21.997 -1.067 330 HG SER 44 HG SER 44 16.499 19.916 -1.496 331 H SER 45 H SER 45 18.867 23.463 -2.254 332 HA SER 45 HA SER 45 20.572 22.315 -4.352 333 HB2 SER 45 1HB SER 45 20.551 24.706 -4.449 334 HB3 SER 45 2HB SER 45 20.815 24.842 -2.710 335 HG SER 45 HG SER 45 22.693 25.117 -4.203 336 H GLY 46 H GLY 46 21.816 20.676 -3.752 337 HA2 GLY 46 1HA GLY 46 23.645 20.819 -1.615 338 HA3 GLY 46 2HA GLY 46 22.259 19.864 -1.109 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -32.782 -7.099 -20.784 2 HA2 GLY 1 1HA GLY 1 -33.618 -7.479 -23.575 3 HA3 GLY 1 2HA GLY 1 -32.323 -6.342 -23.228 4 H SER 2 H SER 2 -30.687 -7.471 -21.539 5 HA SER 2 HA SER 2 -30.193 -10.247 -22.196 6 HB2 SER 2 1HB SER 2 -28.138 -8.156 -22.947 7 HB3 SER 2 2HB SER 2 -28.008 -9.899 -23.180 8 HG SER 2 HG SER 2 -29.272 -8.024 -24.709 9 H SER 3 H SER 3 -28.511 -11.196 -20.910 10 HA SER 3 HA SER 3 -28.440 -10.174 -18.262 11 HB2 SER 3 1HB SER 3 -27.234 -12.524 -19.666 12 HB3 SER 3 2HB SER 3 -26.620 -12.080 -18.074 13 HG SER 3 HG SER 3 -28.291 -13.088 -17.320 14 H GLY 4 H GLY 4 -26.648 -9.460 -17.041 15 HA2 GLY 4 1HA GLY 4 -24.706 -7.976 -18.647 16 HA3 GLY 4 2HA GLY 4 -25.045 -7.731 -16.940 17 H SER 5 H SER 5 -23.517 -8.380 -15.590 18 HA SER 5 HA SER 5 -21.930 -10.749 -16.241 19 HB2 SER 5 1HB SER 5 -19.841 -9.535 -15.565 20 HB3 SER 5 2HB SER 5 -20.551 -8.951 -17.069 21 HG SER 5 HG SER 5 -21.393 -7.198 -15.957 22 H SER 6 H SER 6 -21.117 -11.850 -14.462 23 HA SER 6 HA SER 6 -21.486 -10.764 -11.799 24 HB2 SER 6 1HB SER 6 -23.136 -13.028 -12.891 25 HB3 SER 6 2HB SER 6 -22.763 -12.938 -11.170 26 HG SER 6 HG SER 6 -23.928 -10.805 -12.628 27 H GLY 7 H GLY 7 -20.612 -12.214 -10.117 28 HA2 GLY 7 1HA GLY 7 -19.369 -14.521 -10.110 29 HA3 GLY 7 2HA GLY 7 -18.284 -13.643 -11.179 30 H GLN 8 H GLN 8 -16.798 -14.341 -9.362 31 HA GLN 8 HA GLN 8 -16.992 -12.921 -6.877 32 HB2 GLN 8 1HB GLN 8 -15.821 -15.197 -7.409 33 HB3 GLN 8 2HB GLN 8 -14.459 -14.182 -7.863 34 HG2 GLN 8 1HG GLN 8 -14.464 -13.183 -5.630 35 HG3 GLN 8 2HG GLN 8 -15.818 -14.218 -5.177 36 HE21 GLN 8 1HE2 GLN 8 -13.083 -14.004 -4.098 37 HE22 GLN 8 2HE2 GLN 8 -12.427 -15.600 -4.183 38 H LYS 9 H LYS 9 -15.489 -11.345 -6.103 39 HA LYS 9 HA LYS 9 -14.413 -9.654 -8.260 40 HB2 LYS 9 1HB LYS 9 -14.677 -7.763 -6.741 41 HB3 LYS 9 2HB LYS 9 -16.206 -8.608 -6.945 42 HG2 LYS 9 1HG LYS 9 -14.485 -9.380 -4.653 43 HG3 LYS 9 2HG LYS 9 -15.340 -7.837 -4.576 44 HD2 LYS 9 1HD LYS 9 -16.874 -10.239 -5.420 45 HD3 LYS 9 2HD LYS 9 -16.435 -10.095 -3.716 46 HE2 LYS 9 1HE LYS 9 -18.427 -8.989 -3.677 47 HE3 LYS 9 2HE LYS 9 -17.362 -7.639 -4.068 48 HZ1 LYS 9 3HZ LYS 9 -19.305 -7.678 -5.501 49 HZ2 LYS 9 1HZ LYS 9 -18.918 -9.237 -6.030 50 HZ3 LYS 9 2HZ LYS 9 -17.899 -7.940 -6.405 51 H GLU 10 H GLU 10 -12.329 -8.912 -8.168 52 HA GLU 10 HA GLU 10 -10.637 -10.121 -6.086 53 HB2 GLU 10 1HB GLU 10 -10.356 -10.601 -8.650 54 HB3 GLU 10 2HB GLU 10 -9.545 -9.041 -8.657 55 HG2 GLU 10 1HG GLU 10 -8.777 -11.364 -6.905 56 HG3 GLU 10 2HG GLU 10 -8.003 -10.951 -8.434 57 H LYS 11 H LYS 11 -11.110 -8.363 -4.637 58 HA LYS 11 HA LYS 11 -10.571 -5.662 -5.238 59 HB2 LYS 11 1HB LYS 11 -11.902 -6.605 -3.275 60 HB3 LYS 11 2HB LYS 11 -10.351 -6.902 -2.499 61 HG2 LYS 11 1HG LYS 11 -9.907 -4.400 -2.942 62 HG3 LYS 11 2HG LYS 11 -11.653 -4.296 -3.173 63 HD2 LYS 11 1HD LYS 11 -10.547 -5.639 -0.741 64 HD3 LYS 11 2HD LYS 11 -10.627 -3.877 -0.814 65 HE2 LYS 11 1HE LYS 11 -12.624 -4.638 0.236 66 HE3 LYS 11 2HE LYS 11 -13.055 -4.102 -1.387 67 HZ1 LYS 11 3HZ LYS 11 -12.368 -6.897 -1.209 68 HZ2 LYS 11 1HZ LYS 11 -13.679 -6.151 -1.975 69 HZ3 LYS 11 2HZ LYS 11 -13.742 -6.473 -0.316 70 H CYS 12 H CYS 12 -8.602 -5.291 -6.158 71 HA CYS 12 HA CYS 12 -6.231 -6.057 -4.587 72 HB2 CYS 12 1HB CYS 12 -4.950 -5.895 -6.672 73 HB3 CYS 12 2HB CYS 12 -6.271 -7.046 -6.831 74 HG CYS 12 HG CYS 12 -5.570 -4.482 -8.713 75 H PHE 13 H PHE 13 -4.469 -4.527 -4.506 76 HA PHE 13 HA PHE 13 -5.370 -1.736 -4.790 77 HB2 PHE 13 1HB PHE 13 -3.357 -2.628 -2.739 78 HB3 PHE 13 2HB PHE 13 -4.301 -1.142 -2.778 79 HD1 PHE 13 HD1 PHE 13 -6.697 -1.184 -2.202 80 HD2 PHE 13 HD2 PHE 13 -4.222 -4.621 -1.783 81 HE1 PHE 13 HE1 PHE 13 -8.383 -2.215 -0.737 82 HE2 PHE 13 HE2 PHE 13 -5.904 -5.658 -0.318 83 HZ PHE 13 HZ PHE 13 -7.989 -4.456 0.206 84 H LYS 14 H LYS 14 -4.229 -0.580 -6.184 85 HA LYS 14 HA LYS 14 -1.427 -1.342 -6.688 86 HB2 LYS 14 1HB LYS 14 -2.987 -1.906 -8.568 87 HB3 LYS 14 2HB LYS 14 -3.345 -0.191 -8.720 88 HG2 LYS 14 1HG LYS 14 -1.160 0.310 -9.432 89 HG3 LYS 14 2HG LYS 14 -0.551 -1.269 -8.930 90 HD2 LYS 14 1HD LYS 14 -1.510 -2.356 -10.737 91 HD3 LYS 14 2HD LYS 14 -2.707 -1.085 -10.996 92 HE2 LYS 14 1HE LYS 14 -1.300 -0.622 -12.726 93 HE3 LYS 14 2HE LYS 14 -0.535 0.352 -11.472 94 HZ1 LYS 14 3HZ LYS 14 1.303 -0.767 -11.993 95 HZ2 LYS 14 1HZ LYS 14 0.461 -1.958 -12.852 96 HZ3 LYS 14 2HZ LYS 14 0.623 -2.082 -11.173 97 H CYS 15 H CYS 15 0.064 0.244 -6.618 98 HA CYS 15 HA CYS 15 -0.739 2.820 -5.621 99 HB2 CYS 15 1HB CYS 15 1.361 1.471 -4.974 100 HB3 CYS 15 2HB CYS 15 2.051 2.081 -6.475 101 H ASN 16 H ASN 16 -1.025 4.643 -6.734 102 HA ASN 16 HA ASN 16 -0.624 4.587 -9.617 103 HB2 ASN 16 1HB ASN 16 -2.098 6.435 -7.751 104 HB3 ASN 16 2HB ASN 16 -1.813 6.864 -9.435 105 HD21 ASN 16 1HD2 ASN 16 -4.308 6.826 -8.945 106 HD22 ASN 16 2HD2 ASN 16 -5.100 5.375 -9.447 107 H LYS 17 H LYS 17 1.691 4.729 -7.878 108 HA LYS 17 HA LYS 17 2.813 7.252 -8.881 109 HB2 LYS 17 1HB LYS 17 3.095 6.124 -6.097 110 HB3 LYS 17 2HB LYS 17 4.186 7.341 -6.747 111 HG2 LYS 17 1HG LYS 17 1.232 7.802 -6.751 112 HG3 LYS 17 2HG LYS 17 2.186 8.079 -5.292 113 HD2 LYS 17 1HD LYS 17 3.374 9.821 -6.242 114 HD3 LYS 17 2HD LYS 17 3.072 9.263 -7.889 115 HE2 LYS 17 1HE LYS 17 0.889 10.293 -6.095 116 HE3 LYS 17 2HE LYS 17 1.832 11.349 -7.146 117 HZ1 LYS 17 3HZ LYS 17 -0.316 9.579 -7.804 118 HZ2 LYS 17 1HZ LYS 17 1.040 9.322 -8.783 119 HZ3 LYS 17 2HZ LYS 17 0.337 10.858 -8.697 120 H CYS 18 H CYS 18 3.477 4.024 -7.577 121 HA CYS 18 HA CYS 18 6.014 4.002 -9.068 122 HB2 CYS 18 1HB CYS 18 6.560 2.027 -7.591 123 HB3 CYS 18 2HB CYS 18 6.415 3.570 -6.757 124 H GLU 19 H GLU 19 2.900 2.527 -8.768 125 HA GLU 19 HA GLU 19 1.786 1.104 -10.165 126 HB2 GLU 19 1HB GLU 19 4.286 0.836 -11.822 127 HB3 GLU 19 2HB GLU 19 2.618 0.607 -12.326 128 HG2 GLU 19 1HG GLU 19 3.550 3.277 -11.366 129 HG3 GLU 19 2HG GLU 19 3.875 2.753 -13.017 130 H LYS 20 H LYS 20 3.129 0.203 -7.854 131 HA LYS 20 HA LYS 20 3.991 -2.498 -8.655 132 HB2 LYS 20 1HB LYS 20 4.837 -0.673 -6.462 133 HB3 LYS 20 2HB LYS 20 4.819 -2.397 -6.118 134 HG2 LYS 20 1HG LYS 20 6.194 -2.631 -8.277 135 HG3 LYS 20 2HG LYS 20 6.467 -0.895 -8.115 136 HD2 LYS 20 1HD LYS 20 7.417 -1.236 -5.898 137 HD3 LYS 20 2HD LYS 20 7.098 -2.968 -6.012 138 HE2 LYS 20 1HE LYS 20 8.541 -2.880 -8.138 139 HE3 LYS 20 2HE LYS 20 9.078 -1.311 -7.541 140 HZ1 LYS 20 3HZ LYS 20 9.475 -2.710 -5.371 141 HZ2 LYS 20 1HZ LYS 20 10.635 -2.649 -6.601 142 HZ3 LYS 20 2HZ LYS 20 9.603 -3.984 -6.476 143 H THR 21 H THR 21 2.373 -3.899 -8.475 144 HA THR 21 HA THR 21 0.079 -3.505 -6.874 145 HB THR 21 HB THR 21 -0.421 -5.908 -7.384 146 HG1 THR 21 HG1 THR 21 2.041 -5.751 -8.818 147 HG21 THR 21 3HG2 THR 21 -0.959 -3.943 -8.905 148 HG22 THR 21 1HG2 THR 21 -0.915 -5.532 -9.667 149 HG23 THR 21 2HG2 THR 21 0.445 -4.425 -9.857 150 H PHE 22 H PHE 22 -0.554 -4.407 -4.936 151 HA PHE 22 HA PHE 22 1.548 -5.787 -3.400 152 HB2 PHE 22 1HB PHE 22 -0.366 -3.634 -2.496 153 HB3 PHE 22 2HB PHE 22 0.529 -4.651 -1.371 154 HD1 PHE 22 HD1 PHE 22 2.942 -4.439 -1.150 155 HD2 PHE 22 HD2 PHE 22 0.727 -1.914 -3.765 156 HE1 PHE 22 HE1 PHE 22 4.863 -2.908 -1.294 157 HE2 PHE 22 HE2 PHE 22 2.644 -0.380 -3.913 158 HZ PHE 22 HZ PHE 22 4.716 -0.876 -2.678 159 H SER 23 H SER 23 0.692 -7.067 -1.555 160 HA SER 23 HA SER 23 -1.509 -8.695 -2.466 161 HB2 SER 23 1HB SER 23 -0.944 -10.139 -0.556 162 HB3 SER 23 2HB SER 23 0.493 -9.744 -1.498 163 HG SER 23 HG SER 23 0.685 -7.945 0.133 164 H CYS 24 H CYS 24 -0.799 -6.765 0.438 165 HA CYS 24 HA CYS 24 -3.677 -6.779 1.055 166 HB2 CYS 24 1HB CYS 24 -1.229 -6.705 2.762 167 HB3 CYS 24 2HB CYS 24 -2.677 -5.894 3.346 168 HG CYS 24 HG CYS 24 -2.035 -9.181 3.049 169 H SER 25 H SER 25 -4.273 -4.721 2.401 170 HA SER 25 HA SER 25 -3.648 -2.461 0.687 171 HB2 SER 25 1HB SER 25 -6.001 -3.081 1.469 172 HB3 SER 25 2HB SER 25 -5.528 -2.457 3.049 173 HG SER 25 HG SER 25 -4.821 -0.580 1.466 174 H LYS 26 H LYS 26 -3.611 -3.168 4.177 175 HA LYS 26 HA LYS 26 -2.606 -0.867 5.207 176 HB2 LYS 26 1HB LYS 26 -1.698 -2.140 7.017 177 HB3 LYS 26 2HB LYS 26 -3.156 -2.961 6.477 178 HG2 LYS 26 1HG LYS 26 -1.778 -4.751 6.665 179 HG3 LYS 26 2HG LYS 26 -1.418 -4.299 4.997 180 HD2 LYS 26 1HD LYS 26 0.640 -3.412 5.542 181 HD3 LYS 26 2HD LYS 26 0.178 -3.096 7.216 182 HE2 LYS 26 1HE LYS 26 0.051 -5.659 7.435 183 HE3 LYS 26 2HE LYS 26 0.977 -5.688 5.935 184 HZ1 LYS 26 3HZ LYS 26 2.101 -5.617 8.333 185 HZ2 LYS 26 1HZ LYS 26 1.992 -3.955 8.038 186 HZ3 LYS 26 2HZ LYS 26 2.829 -4.952 6.958 187 H TYR 27 H TYR 27 -0.813 -3.327 3.436 188 HA TYR 27 HA TYR 27 1.768 -2.269 3.911 189 HB2 TYR 27 1HB TYR 27 0.579 -4.236 2.023 190 HB3 TYR 27 2HB TYR 27 2.146 -3.557 1.598 191 HD1 TYR 27 HD1 TYR 27 3.733 -3.430 3.871 192 HD2 TYR 27 HD2 TYR 27 0.716 -6.305 3.014 193 HE1 TYR 27 HE1 TYR 27 4.840 -5.031 5.375 194 HE2 TYR 27 HE2 TYR 27 1.814 -7.913 4.517 195 HH TYR 27 HH TYR 27 4.274 -8.243 5.378 196 H LEU 28 H LEU 28 -0.591 -1.787 1.318 197 HA LEU 28 HA LEU 28 1.081 -0.104 -0.252 198 HB2 LEU 28 1HB LEU 28 -0.716 -1.234 -1.324 199 HB3 LEU 28 2HB LEU 28 -1.892 -0.560 -0.198 200 HG LEU 28 HG LEU 28 -1.522 1.669 -1.180 201 HD11 LEU 28 1HD1 LEU 28 -0.120 0.540 -3.519 202 HD12 LEU 28 2HD1 LEU 28 0.839 0.755 -2.055 203 HD13 LEU 28 3HD1 LEU 28 0.008 2.134 -2.773 204 HD21 LEU 28 3HD2 LEU 28 -3.378 0.549 -2.058 205 HD22 LEU 28 1HD2 LEU 28 -2.378 -0.603 -2.943 206 HD23 LEU 28 2HD2 LEU 28 -2.476 1.074 -3.480 207 H THR 29 H THR 29 -1.487 0.512 2.110 208 HA THR 29 HA THR 29 -1.720 3.253 1.879 209 HB THR 29 HB THR 29 -1.840 1.633 4.431 210 HG1 THR 29 HG1 THR 29 -4.027 2.508 2.851 211 HG21 THR 29 3HG2 THR 29 -1.624 4.056 4.831 212 HG22 THR 29 1HG2 THR 29 -3.208 3.445 5.308 213 HG23 THR 29 2HG2 THR 29 -3.024 4.339 3.798 214 H GLN 30 H GLN 30 0.304 1.586 4.305 215 HA GLN 30 HA GLN 30 1.670 3.875 5.156 216 HB2 GLN 30 1HB GLN 30 1.550 1.448 6.149 217 HB3 GLN 30 2HB GLN 30 2.998 1.192 5.185 218 HG2 GLN 30 1HG GLN 30 3.997 3.184 6.335 219 HG3 GLN 30 2HG GLN 30 2.601 3.170 7.412 220 HE21 GLN 30 1HE2 GLN 30 3.158 2.362 9.295 221 HE22 GLN 30 2HE2 GLN 30 4.158 0.978 9.557 222 H HIS 31 H HIS 31 2.453 1.509 2.647 223 HA HIS 31 HA HIS 31 5.024 2.339 2.012 224 HB2 HIS 31 1HB HIS 31 4.458 0.411 0.896 225 HB3 HIS 31 2HB HIS 31 2.835 0.978 0.516 226 HD1 HIS 31 HD1 HIS 31 6.093 0.471 -0.968 227 HD2 HIS 31 HD2 HIS 31 2.865 2.998 -1.642 228 HE1 HIS 31 HE1 HIS 31 6.410 1.360 -3.299 229 H GLU 32 H GLU 32 1.968 3.401 0.510 230 HA GLU 32 HA GLU 32 2.723 5.156 -1.352 231 HB2 GLU 32 1HB GLU 32 0.605 5.478 0.760 232 HB3 GLU 32 2HB GLU 32 0.833 6.687 -0.496 233 HG2 GLU 32 1HG GLU 32 0.636 4.667 -2.114 234 HG3 GLU 32 2HG GLU 32 -0.119 3.870 -0.735 235 H ARG 33 H ARG 33 3.207 5.575 2.080 236 HA ARG 33 HA ARG 33 3.763 8.285 2.232 237 HB2 ARG 33 1HB ARG 33 4.971 5.964 3.739 238 HB3 ARG 33 2HB ARG 33 5.271 7.647 4.152 239 HG2 ARG 33 1HG ARG 33 2.653 7.772 4.214 240 HG3 ARG 33 2HG ARG 33 2.794 6.030 4.457 241 HD2 ARG 33 1HD ARG 33 4.384 7.968 6.103 242 HD3 ARG 33 2HD ARG 33 2.723 7.556 6.528 243 HE ARG 33 HE ARG 33 3.822 5.137 6.298 244 HH11 ARG 33 1HH1 ARG 33 4.933 8.009 7.922 245 HH12 ARG 33 2HH1 ARG 33 5.797 7.140 9.146 246 HH21 ARG 33 1HH2 ARG 33 4.956 3.981 7.905 247 HH22 ARG 33 2HH2 ARG 33 5.810 4.849 9.135 248 H ILE 34 H ILE 34 6.006 5.616 1.522 249 HA ILE 34 HA ILE 34 8.402 6.827 1.349 250 HB ILE 34 HB ILE 34 9.075 5.281 -0.349 251 HG12 ILE 34 1HG1 ILE 34 6.294 4.352 -0.890 252 HG13 ILE 34 2HG1 ILE 34 6.826 5.841 -1.662 253 HG21 ILE 34 1HG2 ILE 34 7.378 3.286 0.612 254 HG22 ILE 34 2HG2 ILE 34 8.945 3.760 1.265 255 HG23 ILE 34 3HG2 ILE 34 7.468 4.482 1.905 256 HD11 ILE 34 3HD1 ILE 34 7.680 4.571 -3.259 257 HD12 ILE 34 1HD1 ILE 34 8.906 4.066 -2.096 258 HD13 ILE 34 2HD1 ILE 34 7.444 3.102 -2.312 259 H HIS 35 H HIS 35 5.673 7.470 -0.678 260 HA HIS 35 HA HIS 35 7.229 8.932 -2.645 261 HB2 HIS 35 1HB HIS 35 4.225 8.718 -2.371 262 HB3 HIS 35 2HB HIS 35 5.112 9.309 -3.773 263 HD1 HIS 35 HD1 HIS 35 7.038 7.240 -4.481 264 HD2 HIS 35 HD2 HIS 35 3.320 6.244 -2.917 265 HE1 HIS 35 HE1 HIS 35 6.624 4.864 -5.192 266 H THR 36 H THR 36 8.134 10.490 -1.173 267 HA THR 36 HA THR 36 6.361 12.782 -0.811 268 HB THR 36 HB THR 36 7.587 13.126 1.480 269 HG1 THR 36 HG1 THR 36 7.685 10.295 1.137 270 HG21 THR 36 3HG2 THR 36 5.444 11.016 1.401 271 HG22 THR 36 1HG2 THR 36 5.113 12.701 1.000 272 HG23 THR 36 2HG2 THR 36 5.701 12.276 2.607 273 H ARG 37 H ARG 37 7.342 14.710 -1.159 274 HA ARG 37 HA ARG 37 10.077 14.639 -2.127 275 HB2 ARG 37 1HB ARG 37 8.330 15.832 -3.400 276 HB3 ARG 37 2HB ARG 37 8.099 16.924 -2.041 277 HG2 ARG 37 1HG ARG 37 9.479 18.191 -3.328 278 HG3 ARG 37 2HG ARG 37 10.682 17.329 -2.367 279 HD2 ARG 37 1HD ARG 37 9.741 16.167 -4.952 280 HD3 ARG 37 2HD ARG 37 10.923 17.475 -4.965 281 HE ARG 37 HE ARG 37 11.612 15.306 -3.208 282 HH11 ARG 37 1HH1 ARG 37 11.778 16.520 -6.467 283 HH12 ARG 37 2HH1 ARG 37 13.176 15.584 -6.883 284 HH21 ARG 37 1HH2 ARG 37 13.452 14.069 -3.744 285 HH22 ARG 37 2HH2 ARG 37 14.126 14.190 -5.333 286 H GLY 38 H GLY 38 11.800 15.239 -0.985 287 HA2 GLY 38 1HA GLY 38 12.776 17.022 0.428 288 HA3 GLY 38 2HA GLY 38 11.350 16.865 1.442 289 H VAL 39 H VAL 39 13.714 14.590 0.042 290 HA VAL 39 HA VAL 39 13.940 13.353 2.705 291 HB VAL 39 HB VAL 39 14.757 11.339 1.540 292 HG11 VAL 39 1HG1 VAL 39 12.435 11.198 0.097 293 HG12 VAL 39 2HG1 VAL 39 12.583 10.882 1.827 294 HG13 VAL 39 3HG1 VAL 39 12.079 12.474 1.260 295 HG21 VAL 39 3HG2 VAL 39 14.153 12.927 -0.952 296 HG22 VAL 39 1HG2 VAL 39 15.728 12.330 -0.428 297 HG23 VAL 39 2HG2 VAL 39 14.473 11.193 -0.922 298 H LYS 40 H LYS 40 16.098 12.355 3.163 299 HA LYS 40 HA LYS 40 18.167 14.320 2.630 300 HB2 LYS 40 1HB LYS 40 17.831 12.052 4.552 301 HB3 LYS 40 2HB LYS 40 19.449 12.655 4.217 302 HG2 LYS 40 1HG LYS 40 19.028 14.711 5.175 303 HG3 LYS 40 2HG LYS 40 17.280 14.561 4.976 304 HD2 LYS 40 1HD LYS 40 17.664 14.271 7.279 305 HD3 LYS 40 2HD LYS 40 17.417 12.642 6.646 306 HE2 LYS 40 1HE LYS 40 19.638 12.072 6.878 307 HE3 LYS 40 2HE LYS 40 20.185 13.746 6.796 308 HZ1 LYS 40 3HZ LYS 40 20.276 13.718 8.996 309 HZ2 LYS 40 1HZ LYS 40 19.565 12.185 9.076 310 HZ3 LYS 40 2HZ LYS 40 18.592 13.568 9.045 311 H SER 41 H SER 41 18.648 13.926 0.449 312 HA SER 41 HA SER 41 20.540 11.784 0.036 313 HB2 SER 41 1HB SER 41 18.356 10.714 -0.495 314 HB3 SER 41 2HB SER 41 18.084 11.943 -1.730 315 HG SER 41 HG SER 41 20.205 10.056 -1.655 316 H GLY 42 H GLY 42 21.970 12.185 -1.641 317 HA2 GLY 42 1HA GLY 42 22.912 13.336 -3.432 318 HA3 GLY 42 2HA GLY 42 21.489 14.367 -3.484 319 HA PRO 43 HA PRO 43 25.249 16.262 -1.133 320 HB2 PRO 43 1HB PRO 43 26.637 17.408 -3.165 321 HB3 PRO 43 2HB PRO 43 26.982 15.782 -2.564 322 HG2 PRO 43 1HG PRO 43 25.402 16.619 -4.965 323 HG3 PRO 43 2HG PRO 43 26.589 15.311 -4.807 324 HD2 PRO 43 1HD PRO 43 23.918 14.870 -4.750 325 HD3 PRO 43 2HD PRO 43 25.068 13.881 -3.829 326 H SER 44 H SER 44 23.502 17.603 -0.447 327 HA SER 44 HA SER 44 22.028 19.433 -1.765 328 HB2 SER 44 1HB SER 44 23.426 19.932 0.875 329 HB3 SER 44 2HB SER 44 22.019 20.811 0.278 330 HG SER 44 HG SER 44 21.064 18.572 0.157 331 H SER 45 H SER 45 25.299 20.092 -0.512 332 HA SER 45 HA SER 45 25.412 22.559 -2.053 333 HB2 SER 45 1HB SER 45 26.296 22.207 0.371 334 HB3 SER 45 2HB SER 45 27.689 21.469 -0.421 335 HG SER 45 HG SER 45 28.302 23.508 -0.433 336 H GLY 46 H GLY 46 25.459 21.735 -4.174 337 HA2 GLY 46 1HA GLY 46 26.498 21.059 -6.105 338 HA3 GLY 46 2HA GLY 46 28.015 21.329 -5.260 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -21.266 8.111 -8.305 2 HA2 GLY 1 1HA GLY 1 -19.296 6.564 -9.006 3 HA3 GLY 1 2HA GLY 1 -19.445 6.016 -7.343 4 H SER 2 H SER 2 -20.263 5.290 -10.424 5 HA SER 2 HA SER 2 -22.917 4.243 -9.865 6 HB2 SER 2 1HB SER 2 -21.216 4.495 -12.320 7 HB3 SER 2 2HB SER 2 -22.564 3.358 -12.310 8 HG SER 2 HG SER 2 -22.712 6.142 -11.765 9 H SER 3 H SER 3 -22.602 2.603 -8.386 10 HA SER 3 HA SER 3 -20.718 0.716 -8.121 11 HB2 SER 3 1HB SER 3 -22.591 0.671 -6.642 12 HB3 SER 3 2HB SER 3 -23.713 0.351 -7.964 13 HG SER 3 HG SER 3 -23.416 -1.639 -7.288 14 H GLY 4 H GLY 4 -19.642 -0.314 -9.683 15 HA2 GLY 4 1HA GLY 4 -21.137 -1.398 -11.968 16 HA3 GLY 4 2HA GLY 4 -19.399 -1.143 -11.906 17 H SER 5 H SER 5 -18.364 -3.012 -12.011 18 HA SER 5 HA SER 5 -19.599 -5.470 -11.165 19 HB2 SER 5 1HB SER 5 -17.918 -5.023 -13.145 20 HB3 SER 5 2HB SER 5 -16.701 -5.292 -11.898 21 HG SER 5 HG SER 5 -18.731 -7.071 -12.760 22 H SER 6 H SER 6 -19.871 -5.070 -8.915 23 HA SER 6 HA SER 6 -18.169 -4.261 -7.008 24 HB2 SER 6 1HB SER 6 -19.876 -6.756 -6.832 25 HB3 SER 6 2HB SER 6 -19.213 -5.877 -5.455 26 HG SER 6 HG SER 6 -21.312 -5.188 -5.798 27 H GLY 7 H GLY 7 -16.269 -4.829 -6.129 28 HA2 GLY 7 1HA GLY 7 -15.270 -7.536 -6.300 29 HA3 GLY 7 2HA GLY 7 -14.400 -6.390 -7.308 30 H GLN 8 H GLN 8 -15.501 -6.874 -3.963 31 HA GLN 8 HA GLN 8 -13.471 -5.080 -2.952 32 HB2 GLN 8 1HB GLN 8 -15.575 -6.785 -1.629 33 HB3 GLN 8 2HB GLN 8 -14.379 -5.883 -0.707 34 HG2 GLN 8 1HG GLN 8 -15.275 -3.846 -1.271 35 HG3 GLN 8 2HG GLN 8 -16.024 -4.462 -2.742 36 HE21 GLN 8 1HE2 GLN 8 -18.139 -4.384 -2.610 37 HE22 GLN 8 2HE2 GLN 8 -19.092 -4.737 -1.213 38 H LYS 9 H LYS 9 -14.221 -8.545 -2.585 39 HA LYS 9 HA LYS 9 -11.947 -9.243 -1.123 40 HB2 LYS 9 1HB LYS 9 -13.975 -10.673 -1.491 41 HB3 LYS 9 2HB LYS 9 -13.390 -10.995 -3.118 42 HG2 LYS 9 1HG LYS 9 -11.289 -11.898 -2.060 43 HG3 LYS 9 2HG LYS 9 -12.131 -11.798 -0.511 44 HD2 LYS 9 1HD LYS 9 -12.614 -13.960 -1.095 45 HD3 LYS 9 2HD LYS 9 -13.991 -13.129 -1.823 46 HE2 LYS 9 1HE LYS 9 -13.123 -14.673 -3.429 47 HE3 LYS 9 2HE LYS 9 -12.715 -13.044 -3.964 48 HZ1 LYS 9 3HZ LYS 9 -10.722 -14.338 -2.307 49 HZ2 LYS 9 1HZ LYS 9 -10.531 -13.420 -3.715 50 HZ3 LYS 9 2HZ LYS 9 -10.963 -15.052 -3.821 51 H GLU 10 H GLU 10 -12.504 -9.510 -4.635 52 HA GLU 10 HA GLU 10 -9.702 -10.095 -5.087 53 HB2 GLU 10 1HB GLU 10 -11.622 -11.151 -6.372 54 HB3 GLU 10 2HB GLU 10 -11.820 -9.601 -7.176 55 HG2 GLU 10 1HG GLU 10 -9.451 -9.772 -7.931 56 HG3 GLU 10 2HG GLU 10 -9.416 -11.405 -7.267 57 H LYS 11 H LYS 11 -10.059 -7.606 -3.900 58 HA LYS 11 HA LYS 11 -9.833 -5.608 -6.006 59 HB2 LYS 11 1HB LYS 11 -11.100 -5.269 -3.809 60 HB3 LYS 11 2HB LYS 11 -9.521 -5.141 -3.045 61 HG2 LYS 11 1HG LYS 11 -9.100 -3.335 -4.882 62 HG3 LYS 11 2HG LYS 11 -10.863 -3.284 -4.949 63 HD2 LYS 11 1HD LYS 11 -9.313 -3.023 -2.381 64 HD3 LYS 11 2HD LYS 11 -9.757 -1.636 -3.378 65 HE2 LYS 11 1HE LYS 11 -12.130 -2.313 -3.184 66 HE3 LYS 11 2HE LYS 11 -11.641 -3.618 -2.103 67 HZ1 LYS 11 3HZ LYS 11 -11.428 -0.700 -1.627 68 HZ2 LYS 11 1HZ LYS 11 -10.648 -1.849 -0.660 69 HZ3 LYS 11 2HZ LYS 11 -12.337 -1.829 -0.754 70 H CYS 12 H CYS 12 -7.914 -5.601 -7.008 71 HA CYS 12 HA CYS 12 -5.469 -6.245 -5.634 72 HB2 CYS 12 1HB CYS 12 -6.187 -5.482 -8.444 73 HB3 CYS 12 2HB CYS 12 -4.505 -5.445 -7.931 74 HG CYS 12 HG CYS 12 -4.162 -8.071 -7.613 75 H PHE 13 H PHE 13 -4.586 -4.823 -4.287 76 HA PHE 13 HA PHE 13 -5.031 -2.002 -4.513 77 HB2 PHE 13 1HB PHE 13 -3.042 -3.428 -2.739 78 HB3 PHE 13 2HB PHE 13 -3.689 -1.806 -2.518 79 HD1 PHE 13 HD1 PHE 13 -6.256 -1.631 -2.212 80 HD2 PHE 13 HD2 PHE 13 -4.025 -5.213 -1.658 81 HE1 PHE 13 HE1 PHE 13 -8.073 -2.545 -0.827 82 HE2 PHE 13 HE2 PHE 13 -5.838 -6.133 -0.273 83 HZ PHE 13 HZ PHE 13 -7.866 -4.799 0.143 84 H LYS 14 H LYS 14 -4.117 -1.022 -6.224 85 HA LYS 14 HA LYS 14 -1.253 -1.500 -6.720 86 HB2 LYS 14 1HB LYS 14 -2.733 -2.060 -8.613 87 HB3 LYS 14 2HB LYS 14 -3.348 -0.412 -8.611 88 HG2 LYS 14 1HG LYS 14 -1.119 0.424 -9.157 89 HG3 LYS 14 2HG LYS 14 -0.500 -1.229 -9.157 90 HD2 LYS 14 1HD LYS 14 -1.924 -1.808 -11.017 91 HD3 LYS 14 2HD LYS 14 -2.696 -0.221 -10.965 92 HE2 LYS 14 1HE LYS 14 -1.185 0.136 -12.640 93 HE3 LYS 14 2HE LYS 14 -0.208 0.611 -11.251 94 HZ1 LYS 14 3HZ LYS 14 -0.147 -2.187 -12.133 95 HZ2 LYS 14 1HZ LYS 14 1.060 -1.269 -11.383 96 HZ3 LYS 14 2HZ LYS 14 0.718 -1.038 -13.023 97 H CYS 15 H CYS 15 0.076 0.319 -7.244 98 HA CYS 15 HA CYS 15 -0.807 2.757 -5.879 99 HB2 CYS 15 1HB CYS 15 1.408 1.452 -5.385 100 HB3 CYS 15 2HB CYS 15 2.004 2.292 -6.813 101 H ASN 16 H ASN 16 0.252 4.819 -6.829 102 HA ASN 16 HA ASN 16 -0.335 4.843 -9.711 103 HB2 ASN 16 1HB ASN 16 -1.823 6.374 -8.866 104 HB3 ASN 16 2HB ASN 16 -0.783 6.797 -7.509 105 HD21 ASN 16 1HD2 ASN 16 -0.733 8.957 -7.717 106 HD22 ASN 16 2HD2 ASN 16 -0.111 9.793 -9.094 107 H LYS 17 H LYS 17 1.796 6.376 -7.303 108 HA LYS 17 HA LYS 17 3.547 7.615 -9.077 109 HB2 LYS 17 1HB LYS 17 4.187 6.443 -6.364 110 HB3 LYS 17 2HB LYS 17 5.158 7.632 -7.222 111 HG2 LYS 17 1HG LYS 17 2.309 8.272 -6.668 112 HG3 LYS 17 2HG LYS 17 3.466 8.336 -5.336 113 HD2 LYS 17 1HD LYS 17 4.894 9.813 -6.792 114 HD3 LYS 17 2HD LYS 17 3.538 9.886 -7.920 115 HE2 LYS 17 1HE LYS 17 3.415 10.702 -5.018 116 HE3 LYS 17 2HE LYS 17 3.639 11.816 -6.366 117 HZ1 LYS 17 3HZ LYS 17 1.498 11.441 -7.134 118 HZ2 LYS 17 1HZ LYS 17 1.290 11.468 -5.456 119 HZ3 LYS 17 2HZ LYS 17 1.321 9.992 -6.280 120 H CYS 18 H CYS 18 4.243 4.605 -7.288 121 HA CYS 18 HA CYS 18 6.292 3.894 -9.195 122 HB2 CYS 18 1HB CYS 18 6.675 1.959 -7.746 123 HB3 CYS 18 2HB CYS 18 6.608 3.442 -6.800 124 H GLU 19 H GLU 19 3.036 2.849 -8.361 125 HA GLU 19 HA GLU 19 1.496 1.689 -9.589 126 HB2 GLU 19 1HB GLU 19 3.552 1.273 -11.747 127 HB3 GLU 19 2HB GLU 19 1.801 1.304 -11.899 128 HG2 GLU 19 1HG GLU 19 1.742 3.665 -11.540 129 HG3 GLU 19 2HG GLU 19 3.460 3.696 -11.144 130 H LYS 20 H LYS 20 2.947 0.423 -7.633 131 HA LYS 20 HA LYS 20 3.603 -2.211 -8.758 132 HB2 LYS 20 1HB LYS 20 4.380 -0.805 -6.223 133 HB3 LYS 20 2HB LYS 20 4.472 -2.558 -6.326 134 HG2 LYS 20 1HG LYS 20 5.909 -2.252 -8.369 135 HG3 LYS 20 2HG LYS 20 5.966 -0.534 -7.970 136 HD2 LYS 20 1HD LYS 20 7.049 -0.971 -5.894 137 HD3 LYS 20 2HD LYS 20 6.769 -2.707 -6.044 138 HE2 LYS 20 1HE LYS 20 8.945 -2.611 -6.726 139 HE3 LYS 20 2HE LYS 20 8.142 -2.374 -8.277 140 HZ1 LYS 20 3HZ LYS 20 8.531 -0.065 -8.181 141 HZ2 LYS 20 1HZ LYS 20 9.998 -0.793 -7.754 142 HZ3 LYS 20 2HZ LYS 20 9.007 -0.121 -6.559 143 H THR 21 H THR 21 2.318 -3.909 -8.410 144 HA THR 21 HA THR 21 -0.186 -3.549 -7.065 145 HB THR 21 HB THR 21 -0.546 -5.971 -7.624 146 HG1 THR 21 HG1 THR 21 1.197 -6.601 -9.300 147 HG21 THR 21 3HG2 THR 21 0.280 -4.993 -10.222 148 HG22 THR 21 1HG2 THR 21 -0.533 -3.739 -9.287 149 HG23 THR 21 2HG2 THR 21 -1.343 -5.275 -9.592 150 H PHE 22 H PHE 22 -0.919 -4.502 -5.185 151 HA PHE 22 HA PHE 22 1.078 -5.916 -3.552 152 HB2 PHE 22 1HB PHE 22 -0.760 -3.687 -2.658 153 HB3 PHE 22 2HB PHE 22 0.167 -4.703 -1.558 154 HD1 PHE 22 HD1 PHE 22 2.634 -4.587 -1.554 155 HD2 PHE 22 HD2 PHE 22 0.253 -1.905 -3.846 156 HE1 PHE 22 HE1 PHE 22 4.560 -3.071 -1.775 157 HE2 PHE 22 HE2 PHE 22 2.175 -0.386 -4.072 158 HZ PHE 22 HZ PHE 22 4.333 -0.968 -3.036 159 H SER 23 H SER 23 0.092 -7.127 -1.727 160 HA SER 23 HA SER 23 -2.526 -8.215 -2.530 161 HB2 SER 23 1HB SER 23 -0.081 -9.505 -1.358 162 HB3 SER 23 2HB SER 23 -1.668 -10.237 -1.114 163 HG SER 23 HG SER 23 -1.819 -9.967 -3.529 164 H CYS 24 H CYS 24 -2.120 -5.905 -0.820 165 HA CYS 24 HA CYS 24 -3.909 -6.583 1.268 166 HB2 CYS 24 1HB CYS 24 -1.602 -7.447 2.073 167 HB3 CYS 24 2HB CYS 24 -1.215 -5.747 2.307 168 HG CYS 24 HG CYS 24 -2.672 -7.735 4.375 169 H SER 25 H SER 25 -4.469 -4.721 2.611 170 HA SER 25 HA SER 25 -4.283 -2.274 1.067 171 HB2 SER 25 1HB SER 25 -5.849 -3.006 3.548 172 HB3 SER 25 2HB SER 25 -5.901 -1.411 2.798 173 HG SER 25 HG SER 25 -7.365 -3.470 2.174 174 H LYS 26 H LYS 26 -3.328 -3.465 4.253 175 HA LYS 26 HA LYS 26 -2.370 -1.060 5.316 176 HB2 LYS 26 1HB LYS 26 -2.695 -2.967 6.744 177 HB3 LYS 26 2HB LYS 26 -1.535 -3.917 5.825 178 HG2 LYS 26 1HG LYS 26 0.185 -2.163 6.522 179 HG3 LYS 26 2HG LYS 26 -1.019 -1.639 7.702 180 HD2 LYS 26 1HD LYS 26 0.183 -3.155 8.945 181 HD3 LYS 26 2HD LYS 26 -1.094 -4.190 8.301 182 HE2 LYS 26 1HE LYS 26 1.435 -3.877 6.754 183 HE3 LYS 26 2HE LYS 26 1.431 -4.913 8.180 184 HZ1 LYS 26 3HZ LYS 26 0.524 -5.523 5.617 185 HZ2 LYS 26 1HZ LYS 26 -0.834 -5.494 6.626 186 HZ3 LYS 26 2HZ LYS 26 0.475 -6.500 6.997 187 H TYR 27 H TYR 27 -0.493 -3.696 3.810 188 HA TYR 27 HA TYR 27 1.994 -2.579 3.795 189 HB2 TYR 27 1HB TYR 27 0.653 -4.265 1.680 190 HB3 TYR 27 2HB TYR 27 2.363 -3.851 1.630 191 HD1 TYR 27 HD1 TYR 27 3.125 -4.098 4.462 192 HD2 TYR 27 HD2 TYR 27 0.599 -6.559 2.081 193 HE1 TYR 27 HE1 TYR 27 3.635 -6.017 5.914 194 HE2 TYR 27 HE2 TYR 27 1.101 -8.483 3.527 195 HH TYR 27 HH TYR 27 2.454 -8.227 6.526 196 H LEU 28 H LEU 28 -0.634 -1.938 1.521 197 HA LEU 28 HA LEU 28 0.890 -0.222 -0.166 198 HB2 LEU 28 1HB LEU 28 -1.091 -1.348 -0.984 199 HB3 LEU 28 2HB LEU 28 -2.088 -0.509 0.202 200 HG LEU 28 HG LEU 28 -1.573 1.628 -0.940 201 HD11 LEU 28 1HD1 LEU 28 0.536 1.114 -1.953 202 HD12 LEU 28 2HD1 LEU 28 -0.619 1.493 -3.231 203 HD13 LEU 28 3HD1 LEU 28 -0.184 -0.185 -2.906 204 HD21 LEU 28 3HD2 LEU 28 -3.494 -0.090 -1.512 205 HD22 LEU 28 1HD2 LEU 28 -2.641 -0.169 -3.055 206 HD23 LEU 28 2HD2 LEU 28 -3.255 1.376 -2.464 207 H THR 29 H THR 29 -1.850 0.578 1.975 208 HA THR 29 HA THR 29 -1.859 3.238 2.016 209 HB THR 29 HB THR 29 -1.875 1.561 4.534 210 HG1 THR 29 HG1 THR 29 -4.030 2.468 2.899 211 HG21 THR 29 3HG2 THR 29 -1.810 4.317 4.336 212 HG22 THR 29 1HG2 THR 29 -2.400 3.390 5.715 213 HG23 THR 29 2HG2 THR 29 -3.529 3.955 4.484 214 H GLN 30 H GLN 30 0.239 1.482 4.311 215 HA GLN 30 HA GLN 30 1.714 3.711 5.122 216 HB2 GLN 30 1HB GLN 30 1.680 1.567 6.337 217 HB3 GLN 30 2HB GLN 30 2.601 0.822 5.038 218 HG2 GLN 30 1HG GLN 30 3.975 1.417 6.992 219 HG3 GLN 30 2HG GLN 30 4.498 2.210 5.507 220 HE21 GLN 30 1HE2 GLN 30 5.592 3.640 7.039 221 HE22 GLN 30 2HE2 GLN 30 4.715 4.972 7.701 222 H HIS 31 H HIS 31 2.338 1.355 2.553 223 HA HIS 31 HA HIS 31 4.875 2.149 1.786 224 HB2 HIS 31 1HB HIS 31 4.210 0.261 0.659 225 HB3 HIS 31 2HB HIS 31 2.578 0.866 0.388 226 HD1 HIS 31 HD1 HIS 31 5.935 0.677 -1.152 227 HD2 HIS 31 HD2 HIS 31 2.315 2.586 -1.871 228 HE1 HIS 31 HE1 HIS 31 6.079 1.524 -3.516 229 H GLU 32 H GLU 32 1.800 3.257 0.348 230 HA GLU 32 HA GLU 32 2.570 5.070 -1.457 231 HB2 GLU 32 1HB GLU 32 0.384 5.211 0.588 232 HB3 GLU 32 2HB GLU 32 0.647 6.565 -0.501 233 HG2 GLU 32 1HG GLU 32 0.393 3.824 -1.633 234 HG3 GLU 32 2HG GLU 32 -1.054 4.677 -1.095 235 H ARG 33 H ARG 33 3.026 5.369 1.982 236 HA ARG 33 HA ARG 33 3.521 8.088 2.237 237 HB2 ARG 33 1HB ARG 33 4.897 5.814 3.681 238 HB3 ARG 33 2HB ARG 33 4.881 7.494 4.201 239 HG2 ARG 33 1HG ARG 33 2.394 5.838 3.862 240 HG3 ARG 33 2HG ARG 33 3.271 5.995 5.386 241 HD2 ARG 33 1HD ARG 33 2.158 8.311 3.810 242 HD3 ARG 33 2HD ARG 33 1.333 7.541 5.164 243 HE ARG 33 HE ARG 33 3.889 8.299 6.007 244 HH11 ARG 33 1HH1 ARG 33 0.893 9.754 4.995 245 HH12 ARG 33 2HH1 ARG 33 1.118 11.188 5.942 246 HH21 ARG 33 1HH2 ARG 33 4.197 10.181 7.258 247 HH22 ARG 33 2HH2 ARG 33 2.999 11.430 7.228 248 H ILE 34 H ILE 34 5.810 5.481 1.452 249 HA ILE 34 HA ILE 34 8.189 6.742 1.354 250 HB ILE 34 HB ILE 34 8.909 5.262 -0.388 251 HG12 ILE 34 1HG1 ILE 34 6.163 4.265 -0.965 252 HG13 ILE 34 2HG1 ILE 34 6.635 5.802 -1.682 253 HG21 ILE 34 1HG2 ILE 34 8.429 4.260 1.797 254 HG22 ILE 34 2HG2 ILE 34 6.789 3.895 1.264 255 HG23 ILE 34 3HG2 ILE 34 8.164 3.116 0.482 256 HD11 ILE 34 3HD1 ILE 34 7.963 4.821 -3.178 257 HD12 ILE 34 1HD1 ILE 34 8.629 3.697 -1.994 258 HD13 ILE 34 2HD1 ILE 34 7.083 3.349 -2.768 259 H HIS 35 H HIS 35 5.470 7.405 -0.674 260 HA HIS 35 HA HIS 35 7.055 9.011 -2.523 261 HB2 HIS 35 1HB HIS 35 4.067 8.542 -2.491 262 HB3 HIS 35 2HB HIS 35 5.005 9.260 -3.798 263 HD1 HIS 35 HD1 HIS 35 7.131 7.395 -4.453 264 HD2 HIS 35 HD2 HIS 35 3.430 6.017 -3.162 265 HE1 HIS 35 HE1 HIS 35 6.976 5.021 -5.268 266 H THR 36 H THR 36 7.721 10.611 -1.001 267 HA THR 36 HA THR 36 5.770 12.746 -0.719 268 HB THR 36 HB THR 36 6.783 13.008 1.737 269 HG1 THR 36 HG1 THR 36 6.944 10.248 1.113 270 HG21 THR 36 3HG2 THR 36 4.338 12.437 0.699 271 HG22 THR 36 1HG2 THR 36 4.669 12.616 2.421 272 HG23 THR 36 2HG2 THR 36 4.624 11.010 1.694 273 H ARG 37 H ARG 37 6.709 14.806 -0.376 274 HA ARG 37 HA ARG 37 9.486 14.947 -1.262 275 HB2 ARG 37 1HB ARG 37 7.195 16.878 -1.200 276 HB3 ARG 37 2HB ARG 37 8.842 17.482 -1.325 277 HG2 ARG 37 1HG ARG 37 7.889 15.365 -3.201 278 HG3 ARG 37 2HG ARG 37 7.451 17.054 -3.471 279 HD2 ARG 37 1HD ARG 37 10.008 17.466 -3.134 280 HD3 ARG 37 2HD ARG 37 10.139 15.753 -3.531 281 HE ARG 37 HE ARG 37 9.611 17.887 -5.338 282 HH11 ARG 37 1HH1 ARG 37 8.919 14.534 -4.707 283 HH12 ARG 37 2HH1 ARG 37 8.623 14.148 -6.370 284 HH21 ARG 37 1HH2 ARG 37 9.224 17.391 -7.530 285 HH22 ARG 37 2HH2 ARG 37 8.798 15.773 -7.975 286 H GLY 38 H GLY 38 11.007 16.385 -0.237 287 HA2 GLY 38 1HA GLY 38 10.778 17.840 2.044 288 HA3 GLY 38 2HA GLY 38 10.880 16.189 2.637 289 H VAL 39 H VAL 39 12.561 18.663 0.772 290 HA VAL 39 HA VAL 39 14.779 19.111 0.506 291 HB VAL 39 HB VAL 39 15.355 17.029 2.607 292 HG11 VAL 39 1HG1 VAL 39 16.835 19.593 2.267 293 HG12 VAL 39 2HG1 VAL 39 17.402 18.034 2.867 294 HG13 VAL 39 3HG1 VAL 39 17.140 18.272 1.139 295 HG21 VAL 39 3HG2 VAL 39 15.273 19.665 3.694 296 HG22 VAL 39 1HG2 VAL 39 13.736 19.325 2.899 297 HG23 VAL 39 2HG2 VAL 39 14.335 18.247 4.159 298 H LYS 40 H LYS 40 13.661 17.361 -1.284 299 HA LYS 40 HA LYS 40 14.673 14.885 -1.719 300 HB2 LYS 40 1HB LYS 40 13.960 17.130 -3.536 301 HB3 LYS 40 2HB LYS 40 14.829 15.771 -4.236 302 HG2 LYS 40 1HG LYS 40 12.459 15.187 -2.548 303 HG3 LYS 40 2HG LYS 40 12.195 15.852 -4.161 304 HD2 LYS 40 1HD LYS 40 12.164 13.551 -4.517 305 HD3 LYS 40 2HD LYS 40 13.815 14.005 -4.947 306 HE2 LYS 40 1HE LYS 40 14.676 13.173 -2.913 307 HE3 LYS 40 2HE LYS 40 13.071 13.056 -2.193 308 HZ1 LYS 40 3HZ LYS 40 14.474 11.169 -3.824 309 HZ2 LYS 40 1HZ LYS 40 12.917 11.480 -4.408 310 HZ3 LYS 40 2HZ LYS 40 13.132 10.937 -2.821 311 H SER 41 H SER 41 16.279 17.878 -2.812 312 HA SER 41 HA SER 41 18.723 16.425 -3.360 313 HB2 SER 41 1HB SER 41 17.727 18.457 -4.673 314 HB3 SER 41 2HB SER 41 18.516 19.418 -3.423 315 HG SER 41 HG SER 41 20.387 18.983 -4.281 316 H GLY 42 H GLY 42 20.769 16.946 -2.409 317 HA2 GLY 42 1HA GLY 42 20.565 17.357 0.441 318 HA3 GLY 42 2HA GLY 42 22.024 16.970 -0.458 319 HA PRO 43 HA PRO 43 23.346 21.104 0.245 320 HB2 PRO 43 1HB PRO 43 25.226 21.282 -1.706 321 HB3 PRO 43 2HB PRO 43 25.463 20.346 -0.225 322 HG2 PRO 43 1HG PRO 43 24.663 19.406 -2.952 323 HG3 PRO 43 2HG PRO 43 25.818 18.686 -1.814 324 HD2 PRO 43 1HD PRO 43 23.294 17.753 -2.114 325 HD3 PRO 43 2HD PRO 43 24.158 17.690 -0.564 326 H SER 44 H SER 44 22.464 22.986 -0.322 327 HA SER 44 HA SER 44 21.208 23.234 -2.946 328 HB2 SER 44 1HB SER 44 20.109 25.231 -1.984 329 HB3 SER 44 2HB SER 44 19.838 23.792 -1.000 330 HG SER 44 HG SER 44 21.417 26.045 -0.475 331 H SER 45 H SER 45 21.409 25.269 -4.141 332 HA SER 45 HA SER 45 24.011 26.585 -3.737 333 HB2 SER 45 1HB SER 45 22.898 25.322 -6.216 334 HB3 SER 45 2HB SER 45 23.964 26.719 -6.362 335 HG SER 45 HG SER 45 25.294 24.982 -6.378 336 H GLY 46 H GLY 46 22.826 28.289 -2.715 337 HA2 GLY 46 1HA GLY 46 22.473 30.622 -3.709 338 HA3 GLY 46 2HA GLY 46 21.123 29.861 -4.537 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -31.160 -23.178 -11.495 2 HA2 GLY 1 1HA GLY 1 -30.328 -23.093 -9.034 3 HA3 GLY 1 2HA GLY 1 -29.154 -22.771 -10.302 4 H SER 2 H SER 2 -30.661 -21.570 -7.537 5 HA SER 2 HA SER 2 -30.701 -18.825 -7.902 6 HB2 SER 2 1HB SER 2 -30.155 -20.520 -5.471 7 HB3 SER 2 2HB SER 2 -30.175 -18.759 -5.381 8 HG SER 2 HG SER 2 -32.328 -19.916 -6.675 9 H SER 3 H SER 3 -29.209 -17.265 -8.064 10 HA SER 3 HA SER 3 -26.635 -17.656 -8.832 11 HB2 SER 3 1HB SER 3 -26.195 -15.345 -8.315 12 HB3 SER 3 2HB SER 3 -27.875 -15.470 -8.837 13 HG SER 3 HG SER 3 -27.194 -14.276 -6.752 14 H GLY 4 H GLY 4 -27.751 -17.189 -5.492 15 HA2 GLY 4 1HA GLY 4 -26.817 -17.920 -3.514 16 HA3 GLY 4 2HA GLY 4 -25.635 -18.812 -4.460 17 H SER 5 H SER 5 -25.660 -16.802 -2.071 18 HA SER 5 HA SER 5 -24.319 -14.484 -2.669 19 HB2 SER 5 1HB SER 5 -25.112 -15.292 -0.388 20 HB3 SER 5 2HB SER 5 -23.604 -16.201 -0.290 21 HG SER 5 HG SER 5 -23.838 -13.841 0.525 22 H SER 6 H SER 6 -22.833 -14.621 -4.309 23 HA SER 6 HA SER 6 -20.506 -16.364 -3.887 24 HB2 SER 6 1HB SER 6 -21.532 -14.983 -6.374 25 HB3 SER 6 2HB SER 6 -20.011 -15.873 -6.301 26 HG SER 6 HG SER 6 -22.587 -16.938 -5.754 27 H GLY 7 H GLY 7 -19.308 -15.142 -2.453 28 HA2 GLY 7 1HA GLY 7 -18.798 -12.350 -2.887 29 HA3 GLY 7 2HA GLY 7 -18.031 -13.376 -1.683 30 H GLN 8 H GLN 8 -17.196 -11.392 -3.968 31 HA GLN 8 HA GLN 8 -15.266 -13.101 -5.344 32 HB2 GLN 8 1HB GLN 8 -14.747 -10.892 -6.552 33 HB3 GLN 8 2HB GLN 8 -16.297 -11.657 -6.870 34 HG2 GLN 8 1HG GLN 8 -16.152 -9.631 -4.706 35 HG3 GLN 8 2HG GLN 8 -16.093 -9.079 -6.379 36 HE21 GLN 8 1HE2 GLN 8 -18.145 -8.667 -4.354 37 HE22 GLN 8 2HE2 GLN 8 -19.608 -9.306 -5.015 38 H LYS 9 H LYS 9 -13.168 -13.169 -4.844 39 HA LYS 9 HA LYS 9 -12.223 -11.500 -2.644 40 HB2 LYS 9 1HB LYS 9 -11.840 -13.874 -2.405 41 HB3 LYS 9 2HB LYS 9 -11.048 -13.946 -3.974 42 HG2 LYS 9 1HG LYS 9 -9.111 -13.006 -3.197 43 HG3 LYS 9 2HG LYS 9 -9.925 -12.143 -1.890 44 HD2 LYS 9 1HD LYS 9 -9.837 -15.133 -1.882 45 HD3 LYS 9 2HD LYS 9 -8.432 -14.208 -1.348 46 HE2 LYS 9 1HE LYS 9 -9.661 -13.177 0.394 47 HE3 LYS 9 2HE LYS 9 -11.198 -13.741 -0.260 48 HZ1 LYS 9 3HZ LYS 9 -9.118 -15.632 0.656 49 HZ2 LYS 9 1HZ LYS 9 -10.769 -15.916 0.420 50 HZ3 LYS 9 2HZ LYS 9 -10.251 -14.976 1.727 51 H GLU 10 H GLU 10 -12.046 -9.548 -3.883 52 HA GLU 10 HA GLU 10 -9.693 -9.519 -5.658 53 HB2 GLU 10 1HB GLU 10 -12.329 -8.131 -5.859 54 HB3 GLU 10 2HB GLU 10 -10.901 -7.312 -6.476 55 HG2 GLU 10 1HG GLU 10 -10.496 -8.993 -8.069 56 HG3 GLU 10 2HG GLU 10 -11.625 -10.104 -7.297 57 H LYS 11 H LYS 11 -8.472 -9.221 -3.654 58 HA LYS 11 HA LYS 11 -8.746 -6.559 -2.454 59 HB2 LYS 11 1HB LYS 11 -7.327 -9.068 -1.580 60 HB3 LYS 11 2HB LYS 11 -7.019 -7.514 -0.816 61 HG2 LYS 11 1HG LYS 11 -9.805 -8.580 -1.049 62 HG3 LYS 11 2HG LYS 11 -8.733 -9.107 0.250 63 HD2 LYS 11 1HD LYS 11 -8.389 -6.692 0.824 64 HD3 LYS 11 2HD LYS 11 -9.649 -6.296 -0.347 65 HE2 LYS 11 1HE LYS 11 -10.885 -6.397 1.580 66 HE3 LYS 11 2HE LYS 11 -11.028 -8.063 1.020 67 HZ1 LYS 11 3HZ LYS 11 -9.953 -8.805 2.803 68 HZ2 LYS 11 1HZ LYS 11 -10.149 -7.263 3.472 69 HZ3 LYS 11 2HZ LYS 11 -8.719 -7.656 2.658 70 H CYS 12 H CYS 12 -7.749 -6.657 -5.065 71 HA CYS 12 HA CYS 12 -4.854 -6.369 -4.837 72 HB2 CYS 12 1HB CYS 12 -4.856 -6.212 -7.267 73 HB3 CYS 12 2HB CYS 12 -5.788 -7.615 -6.756 74 HG CYS 12 HG CYS 12 -7.914 -7.006 -8.047 75 H PHE 13 H PHE 13 -3.753 -4.467 -5.166 76 HA PHE 13 HA PHE 13 -5.221 -2.040 -5.794 77 HB2 PHE 13 1HB PHE 13 -3.644 -2.238 -3.223 78 HB3 PHE 13 2HB PHE 13 -4.568 -0.854 -3.797 79 HD1 PHE 13 HD1 PHE 13 -7.026 -0.918 -3.791 80 HD2 PHE 13 HD2 PHE 13 -4.696 -4.065 -2.122 81 HE1 PHE 13 HE1 PHE 13 -9.006 -1.739 -2.584 82 HE2 PHE 13 HE2 PHE 13 -6.673 -4.892 -0.913 83 HZ PHE 13 HZ PHE 13 -8.832 -3.729 -1.144 84 H LYS 14 H LYS 14 -4.035 -0.826 -7.106 85 HA LYS 14 HA LYS 14 -1.138 -1.307 -7.220 86 HB2 LYS 14 1HB LYS 14 -2.083 -1.738 -9.337 87 HB3 LYS 14 2HB LYS 14 -3.131 -0.328 -9.251 88 HG2 LYS 14 1HG LYS 14 -1.332 1.152 -9.646 89 HG3 LYS 14 2HG LYS 14 -0.137 -0.121 -9.387 90 HD2 LYS 14 1HD LYS 14 -2.168 -0.402 -11.564 91 HD3 LYS 14 2HD LYS 14 -0.747 0.616 -11.812 92 HE2 LYS 14 1HE LYS 14 0.716 -1.252 -11.350 93 HE3 LYS 14 2HE LYS 14 -0.665 -2.276 -10.959 94 HZ1 LYS 14 3HZ LYS 14 0.319 -2.530 -13.254 95 HZ2 LYS 14 1HZ LYS 14 -0.343 -1.016 -13.617 96 HZ3 LYS 14 2HZ LYS 14 -1.355 -2.299 -13.184 97 H CYS 15 H CYS 15 0.323 0.350 -7.068 98 HA CYS 15 HA CYS 15 -0.506 2.679 -5.646 99 HB2 CYS 15 1HB CYS 15 1.788 1.349 -5.658 100 HB3 CYS 15 2HB CYS 15 2.192 2.514 -6.914 101 H ASN 16 H ASN 16 0.546 4.866 -6.427 102 HA ASN 16 HA ASN 16 -0.475 5.322 -9.146 103 HB2 ASN 16 1HB ASN 16 -1.530 6.560 -7.217 104 HB3 ASN 16 2HB ASN 16 0.005 7.395 -7.000 105 HD21 ASN 16 1HD2 ASN 16 -2.865 8.046 -7.980 106 HD22 ASN 16 2HD2 ASN 16 -2.576 9.039 -9.365 107 H LYS 17 H LYS 17 2.117 6.403 -6.955 108 HA LYS 17 HA LYS 17 3.629 7.708 -8.954 109 HB2 LYS 17 1HB LYS 17 4.719 6.516 -6.404 110 HB3 LYS 17 2HB LYS 17 5.370 7.869 -7.320 111 HG2 LYS 17 1HG LYS 17 2.609 8.107 -6.257 112 HG3 LYS 17 2HG LYS 17 3.957 8.223 -5.123 113 HD2 LYS 17 1HD LYS 17 3.776 10.420 -5.716 114 HD3 LYS 17 2HD LYS 17 4.889 9.875 -6.974 115 HE2 LYS 17 1HE LYS 17 3.360 10.951 -8.276 116 HE3 LYS 17 2HE LYS 17 2.621 9.351 -8.235 117 HZ1 LYS 17 3HZ LYS 17 1.839 11.775 -6.740 118 HZ2 LYS 17 1HZ LYS 17 1.362 10.237 -6.221 119 HZ3 LYS 17 2HZ LYS 17 0.889 10.799 -7.744 120 H CYS 18 H CYS 18 4.624 4.786 -7.174 121 HA CYS 18 HA CYS 18 6.423 3.985 -9.230 122 HB2 CYS 18 1HB CYS 18 6.698 1.933 -7.877 123 HB3 CYS 18 2HB CYS 18 6.850 3.395 -6.908 124 H GLU 19 H GLU 19 3.111 3.209 -8.428 125 HA GLU 19 HA GLU 19 1.485 2.152 -9.627 126 HB2 GLU 19 1HB GLU 19 3.468 1.685 -11.843 127 HB3 GLU 19 2HB GLU 19 1.720 1.830 -11.956 128 HG2 GLU 19 1HG GLU 19 1.854 4.190 -11.424 129 HG3 GLU 19 2HG GLU 19 3.601 4.064 -11.226 130 H LYS 20 H LYS 20 2.932 0.728 -7.755 131 HA LYS 20 HA LYS 20 3.393 -1.898 -8.984 132 HB2 LYS 20 1HB LYS 20 4.318 -0.588 -6.464 133 HB3 LYS 20 2HB LYS 20 4.195 -2.342 -6.503 134 HG2 LYS 20 1HG LYS 20 5.581 -2.113 -8.697 135 HG3 LYS 20 2HG LYS 20 6.011 -0.536 -8.029 136 HD2 LYS 20 1HD LYS 20 7.701 -1.931 -7.242 137 HD3 LYS 20 2HD LYS 20 6.580 -1.847 -5.882 138 HE2 LYS 20 1HE LYS 20 5.601 -3.980 -6.546 139 HE3 LYS 20 2HE LYS 20 6.687 -4.058 -7.932 140 HZ1 LYS 20 3HZ LYS 20 8.493 -3.819 -6.082 141 HZ2 LYS 20 1HZ LYS 20 7.812 -5.328 -6.427 142 HZ3 LYS 20 2HZ LYS 20 7.277 -4.446 -5.087 143 H THR 21 H THR 21 2.358 -3.753 -8.218 144 HA THR 21 HA THR 21 -0.243 -3.240 -7.001 145 HB THR 21 HB THR 21 -0.642 -5.689 -7.580 146 HG1 THR 21 HG1 THR 21 1.546 -5.415 -9.340 147 HG21 THR 21 3HG2 THR 21 -1.212 -5.195 -9.828 148 HG22 THR 21 1HG2 THR 21 0.051 -3.972 -9.956 149 HG23 THR 21 2HG2 THR 21 -1.363 -3.677 -8.943 150 H PHE 22 H PHE 22 -1.016 -4.364 -5.190 151 HA PHE 22 HA PHE 22 1.026 -5.746 -3.584 152 HB2 PHE 22 1HB PHE 22 -0.964 -3.677 -2.638 153 HB3 PHE 22 2HB PHE 22 -0.008 -4.687 -1.560 154 HD1 PHE 22 HD2 PHE 22 0.155 -2.014 -4.089 155 HD2 PHE 22 HD1 PHE 22 2.264 -4.200 -1.107 156 HE1 PHE 22 HE2 PHE 22 1.990 -0.378 -4.192 157 HE2 PHE 22 HE1 PHE 22 4.102 -2.567 -1.205 158 HZ PHE 22 HZ PHE 22 3.967 -0.653 -2.749 159 H SER 23 H SER 23 -0.045 -6.943 -1.694 160 HA SER 23 HA SER 23 -2.192 -8.556 -2.820 161 HB2 SER 23 1HB SER 23 -1.558 -10.238 -1.335 162 HB3 SER 23 2HB SER 23 -0.024 -9.429 -1.653 163 HG SER 23 HG SER 23 -0.743 -8.117 0.312 164 H CYS 24 H CYS 24 -1.805 -5.997 -0.629 165 HA CYS 24 HA CYS 24 -4.606 -6.067 0.051 166 HB2 CYS 24 1HB CYS 24 -2.485 -6.725 2.035 167 HB3 CYS 24 2HB CYS 24 -3.808 -5.697 2.571 168 HG CYS 24 HG CYS 24 -5.185 -8.167 0.994 169 H SER 25 H SER 25 -5.231 -4.117 1.346 170 HA SER 25 HA SER 25 -3.972 -1.806 0.206 171 HB2 SER 25 1HB SER 25 -6.460 -2.071 0.607 172 HB3 SER 25 2HB SER 25 -6.128 -1.838 2.324 173 HG SER 25 HG SER 25 -4.928 0.141 1.322 174 H LYS 26 H LYS 26 -4.304 -3.145 3.471 175 HA LYS 26 HA LYS 26 -3.187 -1.176 5.001 176 HB2 LYS 26 1HB LYS 26 -2.435 -2.944 6.534 177 HB3 LYS 26 2HB LYS 26 -4.065 -3.244 5.948 178 HG2 LYS 26 1HG LYS 26 -3.267 -4.910 4.414 179 HG3 LYS 26 2HG LYS 26 -1.590 -4.537 4.822 180 HD2 LYS 26 1HD LYS 26 -3.513 -5.385 6.955 181 HD3 LYS 26 2HD LYS 26 -2.745 -6.590 5.917 182 HE2 LYS 26 1HE LYS 26 -0.549 -5.363 6.555 183 HE3 LYS 26 2HE LYS 26 -1.499 -4.717 7.892 184 HZ1 LYS 26 3HZ LYS 26 -0.219 -7.146 7.806 185 HZ2 LYS 26 1HZ LYS 26 -1.859 -7.525 7.636 186 HZ3 LYS 26 2HZ LYS 26 -1.332 -6.632 8.972 187 H TYR 27 H TYR 27 -1.500 -3.534 2.987 188 HA TYR 27 HA TYR 27 1.112 -2.680 3.808 189 HB2 TYR 27 1HB TYR 27 0.080 -4.506 1.653 190 HB3 TYR 27 2HB TYR 27 1.781 -4.056 1.722 191 HD1 TYR 27 HD1 TYR 27 2.419 -4.099 4.537 192 HD2 TYR 27 HD2 TYR 27 -0.107 -6.711 2.323 193 HE1 TYR 27 HE1 TYR 27 2.825 -5.879 6.185 194 HE2 TYR 27 HE2 TYR 27 0.292 -8.498 3.966 195 HH TYR 27 HH TYR 27 1.033 -8.399 6.650 196 H LEU 28 H LEU 28 -1.164 -1.750 1.368 197 HA LEU 28 HA LEU 28 0.748 -0.353 -0.269 198 HB2 LEU 28 1HB LEU 28 -1.170 -1.227 -1.363 199 HB3 LEU 28 2HB LEU 28 -2.258 -0.443 -0.220 200 HG LEU 28 HG LEU 28 -1.584 1.752 -1.152 201 HD11 LEU 28 1HD1 LEU 28 0.257 1.899 -2.376 202 HD12 LEU 28 2HD1 LEU 28 -0.553 0.982 -3.646 203 HD13 LEU 28 3HD1 LEU 28 0.409 0.142 -2.430 204 HD21 LEU 28 3HD2 LEU 28 -3.000 -0.362 -2.638 205 HD22 LEU 28 1HD2 LEU 28 -2.550 1.067 -3.569 206 HD23 LEU 28 2HD2 LEU 28 -3.551 1.234 -2.126 207 H THR 29 H THR 29 -2.101 0.815 1.537 208 HA THR 29 HA THR 29 -1.813 3.462 1.504 209 HB THR 29 HB THR 29 -2.308 1.895 4.043 210 HG1 THR 29 HG1 THR 29 -4.337 3.067 2.495 211 HG21 THR 29 3HG2 THR 29 -3.592 3.940 4.703 212 HG22 THR 29 1HG2 THR 29 -2.885 4.766 3.314 213 HG23 THR 29 2HG2 THR 29 -1.847 4.178 4.613 214 H GLN 30 H GLN 30 -0.059 1.440 3.864 215 HA GLN 30 HA GLN 30 1.490 3.516 4.943 216 HB2 GLN 30 1HB GLN 30 1.269 1.422 6.116 217 HB3 GLN 30 2HB GLN 30 2.011 0.545 4.785 218 HG2 GLN 30 1HG GLN 30 3.780 0.680 6.204 219 HG3 GLN 30 2HG GLN 30 4.024 2.158 5.275 220 HE21 GLN 30 1HE2 GLN 30 3.535 0.815 8.341 221 HE22 GLN 30 2HE2 GLN 30 3.390 2.288 9.232 222 H HIS 31 H HIS 31 2.210 1.191 2.358 223 HA HIS 31 HA HIS 31 4.835 1.932 1.836 224 HB2 HIS 31 1HB HIS 31 4.167 0.013 0.713 225 HB3 HIS 31 2HB HIS 31 2.653 0.732 0.172 226 HD1 HIS 31 HD1 HIS 31 6.128 0.132 -0.854 227 HD2 HIS 31 HD2 HIS 31 2.954 2.521 -2.070 228 HE1 HIS 31 HE1 HIS 31 6.732 0.930 -3.161 229 H GLU 32 H GLU 32 1.820 3.287 0.559 230 HA GLU 32 HA GLU 32 2.743 5.006 -1.353 231 HB2 GLU 32 1HB GLU 32 0.549 5.410 0.677 232 HB3 GLU 32 2HB GLU 32 0.839 6.528 -0.648 233 HG2 GLU 32 1HG GLU 32 0.382 4.806 -2.265 234 HG3 GLU 32 2HG GLU 32 0.229 3.601 -0.988 235 H ARG 33 H ARG 33 3.300 5.157 2.039 236 HA ARG 33 HA ARG 33 3.840 7.900 2.339 237 HB2 ARG 33 1HB ARG 33 4.878 5.486 3.825 238 HB3 ARG 33 2HB ARG 33 5.231 7.140 4.307 239 HG2 ARG 33 1HG ARG 33 2.664 7.435 4.318 240 HG3 ARG 33 2HG ARG 33 2.631 5.672 4.369 241 HD2 ARG 33 1HD ARG 33 3.837 5.625 6.415 242 HD3 ARG 33 2HD ARG 33 4.222 7.342 6.302 243 HE ARG 33 HE ARG 33 1.865 6.198 7.396 244 HH11 ARG 33 1HH1 ARG 33 3.029 8.932 5.582 245 HH12 ARG 33 2HH1 ARG 33 1.764 9.989 6.115 246 HH21 ARG 33 1HH2 ARG 33 0.195 7.580 8.104 247 HH22 ARG 33 2HH2 ARG 33 0.153 9.219 7.550 248 H ILE 34 H ILE 34 5.862 5.194 1.326 249 HA ILE 34 HA ILE 34 8.378 6.235 1.415 250 HB ILE 34 HB ILE 34 9.022 4.764 -0.311 251 HG12 ILE 34 1HG1 ILE 34 6.143 4.671 -1.235 252 HG13 ILE 34 2HG1 ILE 34 7.404 5.634 -1.998 253 HG21 ILE 34 1HG2 ILE 34 6.851 3.002 0.270 254 HG22 ILE 34 2HG2 ILE 34 8.496 2.984 0.904 255 HG23 ILE 34 3HG2 ILE 34 7.249 3.932 1.715 256 HD11 ILE 34 3HD1 ILE 34 6.758 3.310 -2.961 257 HD12 ILE 34 1HD1 ILE 34 8.451 3.797 -2.888 258 HD13 ILE 34 2HD1 ILE 34 7.796 2.700 -1.672 259 H HIS 35 H HIS 35 5.781 7.184 -0.695 260 HA HIS 35 HA HIS 35 7.522 8.782 -2.386 261 HB2 HIS 35 1HB HIS 35 4.503 8.611 -2.396 262 HB3 HIS 35 2HB HIS 35 5.523 9.300 -3.656 263 HD1 HIS 35 HD1 HIS 35 7.410 7.313 -4.498 264 HD2 HIS 35 HD2 HIS 35 3.668 6.156 -3.113 265 HE1 HIS 35 HE1 HIS 35 7.036 5.003 -5.420 266 H THR 36 H THR 36 4.942 9.281 -0.008 267 HA THR 36 HA THR 36 5.463 12.160 -0.030 268 HB THR 36 HB THR 36 3.111 11.426 -0.118 269 HG1 THR 36 HG1 THR 36 4.141 12.972 1.973 270 HG21 THR 36 3HG2 THR 36 2.359 10.661 2.352 271 HG22 THR 36 1HG2 THR 36 3.949 9.904 2.272 272 HG23 THR 36 2HG2 THR 36 2.729 9.525 1.056 273 H ARG 37 H ARG 37 7.620 10.951 0.955 274 HA ARG 37 HA ARG 37 7.369 11.084 3.883 275 HB2 ARG 37 1HB ARG 37 8.373 9.035 2.542 276 HB3 ARG 37 2HB ARG 37 9.822 10.032 2.547 277 HG2 ARG 37 1HG ARG 37 8.393 9.588 5.116 278 HG3 ARG 37 2HG ARG 37 9.365 8.278 4.442 279 HD2 ARG 37 1HD ARG 37 11.333 9.599 4.483 280 HD3 ARG 37 2HD ARG 37 10.419 11.071 4.812 281 HE ARG 37 HE ARG 37 10.005 9.193 6.878 282 HH11 ARG 37 1HH1 ARG 37 12.418 11.357 5.607 283 HH12 ARG 37 2HH1 ARG 37 13.200 11.591 7.135 284 HH21 ARG 37 1HH2 ARG 37 11.026 9.494 8.896 285 HH22 ARG 37 2HH2 ARG 37 12.409 10.530 9.005 286 H GLY 38 H GLY 38 7.564 13.271 4.236 287 HA2 GLY 38 1HA GLY 38 8.602 15.307 4.460 288 HA3 GLY 38 2HA GLY 38 10.094 14.379 4.496 289 H VAL 39 H VAL 39 11.532 14.903 3.002 290 HA VAL 39 HA VAL 39 10.589 15.785 0.364 291 HB VAL 39 HB VAL 39 12.494 17.467 0.367 292 HG11 VAL 39 1HG1 VAL 39 11.093 19.162 1.074 293 HG12 VAL 39 2HG1 VAL 39 9.950 17.854 0.762 294 HG13 VAL 39 3HG1 VAL 39 10.450 18.215 2.415 295 HG21 VAL 39 3HG2 VAL 39 13.300 16.320 2.634 296 HG22 VAL 39 1HG2 VAL 39 13.630 18.012 2.259 297 HG23 VAL 39 2HG2 VAL 39 12.288 17.590 3.322 298 H LYS 40 H LYS 40 12.057 15.441 -1.352 299 HA LYS 40 HA LYS 40 13.575 13.077 -1.162 300 HB2 LYS 40 1HB LYS 40 14.365 13.681 -3.457 301 HB3 LYS 40 2HB LYS 40 12.616 13.696 -3.272 302 HG2 LYS 40 1HG LYS 40 13.040 16.252 -2.771 303 HG3 LYS 40 2HG LYS 40 14.500 15.946 -3.715 304 HD2 LYS 40 1HD LYS 40 11.808 15.079 -4.711 305 HD3 LYS 40 2HD LYS 40 12.372 16.735 -4.944 306 HE2 LYS 40 1HE LYS 40 13.138 15.792 -6.877 307 HE3 LYS 40 2HE LYS 40 14.529 15.500 -5.834 308 HZ1 LYS 40 3HZ LYS 40 12.778 13.622 -7.087 309 HZ2 LYS 40 1HZ LYS 40 12.919 13.338 -5.425 310 HZ3 LYS 40 2HZ LYS 40 14.302 13.377 -6.397 311 H SER 41 H SER 41 14.498 16.489 -1.177 312 HA SER 41 HA SER 41 17.251 16.234 -1.381 313 HB2 SER 41 1HB SER 41 15.668 18.350 -1.199 314 HB3 SER 41 2HB SER 41 16.133 18.272 0.500 315 HG SER 41 HG SER 41 18.350 18.245 -0.282 316 H GLY 42 H GLY 42 15.335 16.465 1.624 317 HA2 GLY 42 1HA GLY 42 15.850 14.769 3.357 318 HA3 GLY 42 2HA GLY 42 17.545 15.057 2.992 319 HA PRO 43 HA PRO 43 17.457 17.799 6.456 320 HB2 PRO 43 1HB PRO 43 19.922 18.878 6.097 321 HB3 PRO 43 2HB PRO 43 19.670 17.251 6.741 322 HG2 PRO 43 1HG PRO 43 20.374 18.099 3.958 323 HG3 PRO 43 2HG PRO 43 21.028 16.760 4.918 324 HD2 PRO 43 1HD PRO 43 19.153 16.396 2.999 325 HD3 PRO 43 2HD PRO 43 19.234 15.387 4.458 326 H SER 44 H SER 44 15.808 19.204 5.673 327 HA SER 44 HA SER 44 16.380 21.271 3.780 328 HB2 SER 44 1HB SER 44 14.096 20.317 4.178 329 HB3 SER 44 2HB SER 44 14.080 21.131 5.742 330 HG SER 44 HG SER 44 13.213 22.658 4.544 331 H SER 45 H SER 45 15.751 21.300 7.289 332 HA SER 45 HA SER 45 17.231 23.846 7.431 333 HB2 SER 45 1HB SER 45 15.853 24.448 9.358 334 HB3 SER 45 2HB SER 45 14.827 24.091 7.969 335 HG SER 45 HG SER 45 14.951 22.862 10.388 336 H GLY 46 H GLY 46 16.472 20.835 9.150 337 HA2 GLY 46 1HA GLY 46 18.628 21.286 11.048 338 HA3 GLY 46 2HA GLY 46 17.521 19.921 11.029
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