NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
275481 | 2kmo | 16436 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H1 LYS 1 -13.088 -7.302 -3.821 2 H2 LYS 1 H2 LYS 1 -12.045 -7.435 -2.588 3 H3 LYS 1 H3 LYS 1 -13.666 -7.456 -2.304 4 HA LYS 1 HA LYS 1 -12.060 -5.175 -3.269 5 HB2 LYS 1 HB2 LYS 1 -14.056 -3.851 -3.465 6 HB3 LYS 1 HB3 LYS 1 -14.168 -5.268 -4.489 7 HG2 LYS 1 HG2 LYS 1 -15.630 -6.380 -2.805 8 HG3 LYS 1 HG3 LYS 1 -15.584 -4.942 -1.789 9 HD2 LYS 1 HD2 LYS 1 -16.605 -4.864 -4.668 10 HD3 LYS 1 HD3 LYS 1 -17.605 -5.363 -3.317 11 HE2 LYS 1 HE2 LYS 1 -18.164 -3.135 -3.606 12 HE3 LYS 1 HE3 LYS 1 -17.138 -3.161 -2.175 13 HZ1 LYS 1 HZ1 LYS 1 -16.215 -2.413 -4.907 14 HZ2 LYS 1 HZ2 LYS 1 -15.315 -2.315 -3.538 15 HZ3 LYS 1 HZ3 LYS 1 -16.604 -1.346 -3.741 16 H LYS 2 H LYS 2 -11.695 -6.622 -0.642 17 HA LYS 2 HA LYS 2 -12.788 -4.811 1.415 18 HB2 LYS 2 HB2 LYS 2 -10.926 -7.218 1.571 19 HB3 LYS 2 HB3 LYS 2 -11.564 -6.323 2.958 20 HG2 LYS 2 HG2 LYS 2 -13.868 -6.915 2.348 21 HG3 LYS 2 HG3 LYS 2 -13.289 -7.784 0.915 22 HD2 LYS 2 HD2 LYS 2 -12.002 -9.340 2.379 23 HD3 LYS 2 HD3 LYS 2 -12.571 -8.459 3.799 24 HE2 LYS 2 HE2 LYS 2 -13.903 -10.430 3.597 25 HE3 LYS 2 HE3 LYS 2 -14.926 -9.043 3.218 26 HZ1 LYS 2 HZ1 LYS 2 -13.656 -10.818 1.191 27 HZ2 LYS 2 HZ2 LYS 2 -14.678 -9.581 0.859 28 HZ3 LYS 2 HZ3 LYS 2 -15.218 -10.898 1.647 29 H VAL 3 H VAL 3 -11.622 -3.092 0.007 30 HA VAL 3 HA VAL 3 -8.763 -2.697 0.282 31 HB VAL 3 HB VAL 3 -10.840 -0.541 -0.256 32 HG11 VAL 3 HG11 VAL 3 -7.915 -0.805 -1.081 33 HG12 VAL 3 HG12 VAL 3 -9.014 0.502 -1.571 34 HG13 VAL 3 HG13 VAL 3 -8.569 0.340 0.122 35 HG21 VAL 3 HG21 VAL 3 -10.411 -0.986 -2.689 36 HG22 VAL 3 HG22 VAL 3 -9.510 -2.450 -2.236 37 HG23 VAL 3 HG23 VAL 3 -11.253 -2.311 -1.900 38 H CYS 4 H CYS 4 -7.608 -1.432 1.703 39 HA CYS 4 HA CYS 4 -8.612 -1.011 4.382 40 HB2 CYS 4 HB2 CYS 4 -6.049 -0.750 2.965 41 HB3 CYS 4 HB3 CYS 4 -6.310 0.564 4.096 42 H ALA 5 H ALA 5 -9.346 0.769 5.411 43 HA ALA 5 HA ALA 5 -10.325 3.064 3.924 44 HB1 ALA 5 HB1 ALA 5 -10.222 2.468 6.913 45 HB2 ALA 5 HB2 ALA 5 -11.108 3.805 6.144 46 HB3 ALA 5 HB3 ALA 5 -11.571 2.126 5.805 47 H CYS 6 H CYS 6 -8.596 4.128 2.991 48 HA CYS 6 HA CYS 6 -6.668 5.526 4.756 49 HB2 CYS 6 HB2 CYS 6 -6.355 4.442 1.934 50 HB3 CYS 6 HB3 CYS 6 -5.195 5.488 2.717 51 HA PRO 7 HA PRO 7 -8.287 9.246 3.102 52 HB2 PRO 7 HB2 PRO 7 -6.205 10.982 3.275 53 HB3 PRO 7 HB3 PRO 7 -6.931 10.187 4.711 54 HG2 PRO 7 HG2 PRO 7 -4.454 9.337 3.196 55 HG3 PRO 7 HG3 PRO 7 -4.626 9.616 4.962 56 HD2 PRO 7 HD2 PRO 7 -4.865 7.141 3.888 57 HD3 PRO 7 HD3 PRO 7 -5.931 7.627 5.229 58 H LYS 8 H LYS 8 -8.180 10.901 1.424 59 HA LYS 8 HA LYS 8 -7.573 9.770 -1.185 60 HB2 LYS 8 HB2 LYS 8 -8.613 12.537 -0.430 61 HB3 LYS 8 HB3 LYS 8 -8.587 11.849 -2.060 62 HG2 LYS 8 HG2 LYS 8 -9.968 9.889 -1.048 63 HG3 LYS 8 HG3 LYS 8 -10.277 10.997 0.302 64 HD2 LYS 8 HD2 LYS 8 -11.232 12.654 -1.313 65 HD3 LYS 8 HD3 LYS 8 -10.900 11.521 -2.642 66 HE2 LYS 8 HE2 LYS 8 -12.342 9.815 -1.440 67 HE3 LYS 8 HE3 LYS 8 -12.788 11.079 -0.288 68 HZ1 LYS 8 HZ1 LYS 8 -13.698 12.355 -2.176 69 HZ2 LYS 8 HZ2 LYS 8 -14.426 10.899 -2.066 70 HZ3 LYS 8 HZ3 LYS 8 -13.303 11.158 -3.217 71 H ILE 9 H ILE 9 -5.637 11.422 0.811 72 HA ILE 9 HA ILE 9 -4.307 13.376 -0.671 73 HB ILE 9 HB ILE 9 -2.986 11.584 1.372 74 HG12 ILE 9 HG12 ILE 9 -4.319 14.279 1.923 75 HG13 ILE 9 HG13 ILE 9 -5.149 12.752 2.173 76 HG21 ILE 9 HG21 ILE 9 -1.344 12.943 0.147 77 HG22 ILE 9 HG22 ILE 9 -2.274 14.418 0.497 78 HG23 ILE 9 HG23 ILE 9 -1.472 13.511 1.794 79 HD11 ILE 9 HD11 ILE 9 -4.312 13.466 4.290 80 HD12 ILE 9 HD12 ILE 9 -3.378 12.044 3.788 81 HD13 ILE 9 HD13 ILE 9 -2.672 13.675 3.665 82 H LEU 10 H LEU 10 -2.862 13.441 -2.114 83 HA LEU 10 HA LEU 10 -1.855 11.038 -3.560 84 HB2 LEU 10 HB2 LEU 10 -1.682 13.998 -4.276 85 HB3 LEU 10 HB3 LEU 10 -0.962 12.683 -5.187 86 HG LEU 10 HG LEU 10 -3.335 11.704 -5.423 87 HD11 LEU 10 HD11 LEU 10 -5.175 13.319 -5.392 88 HD12 LEU 10 HD12 LEU 10 -4.084 14.611 -4.816 89 HD13 LEU 10 HD13 LEU 10 -4.490 13.228 -3.771 90 HD21 LEU 10 HD21 LEU 10 -2.055 12.760 -7.260 91 HD22 LEU 10 HD22 LEU 10 -2.622 14.359 -6.746 92 HD23 LEU 10 HD23 LEU 10 -3.772 13.163 -7.373 93 H LYS 11 H LYS 11 -0.544 10.376 -1.768 94 HA LYS 11 HA LYS 11 2.193 11.612 -1.819 95 HB2 LYS 11 HB2 LYS 11 0.501 10.871 0.566 96 HB3 LYS 11 HB3 LYS 11 2.239 10.673 0.683 97 HG2 LYS 11 HG2 LYS 11 1.019 13.297 -0.217 98 HG3 LYS 11 HG3 LYS 11 1.240 12.907 1.481 99 HD2 LYS 11 HD2 LYS 11 3.529 12.837 -0.533 100 HD3 LYS 11 HD3 LYS 11 3.096 14.288 0.353 101 HE2 LYS 11 HE2 LYS 11 3.806 11.659 1.732 102 HE3 LYS 11 HE3 LYS 11 5.009 12.870 1.291 103 HZ1 LYS 11 HZ1 LYS 11 3.859 14.477 2.695 104 HZ2 LYS 11 HZ2 LYS 11 4.271 13.171 3.576 105 HZ3 LYS 11 HZ3 LYS 11 2.721 13.381 3.116 106 HA PRO 12 HA PRO 12 2.002 7.131 -3.059 107 HB2 PRO 12 HB2 PRO 12 3.401 7.278 -5.432 108 HB3 PRO 12 HB3 PRO 12 1.642 7.569 -5.286 109 HG2 PRO 12 HG2 PRO 12 3.870 9.626 -5.311 110 HG3 PRO 12 HG3 PRO 12 2.355 9.619 -6.273 111 HD2 PRO 12 HD2 PRO 12 2.550 11.058 -3.991 112 HD3 PRO 12 HD3 PRO 12 1.045 10.171 -4.385 113 H VAL 13 H VAL 13 3.706 5.598 -3.345 114 HA VAL 13 HA VAL 13 6.451 6.305 -2.479 115 HB VAL 13 HB VAL 13 6.403 4.562 -0.728 116 HG11 VAL 13 HG11 VAL 13 6.014 6.956 -0.132 117 HG12 VAL 13 HG12 VAL 13 4.266 6.656 -0.187 118 HG13 VAL 13 HG13 VAL 13 5.278 5.809 0.997 119 HG21 VAL 13 HG21 VAL 13 3.391 4.466 -1.228 120 HG22 VAL 13 HG22 VAL 13 4.562 3.139 -1.422 121 HG23 VAL 13 HG23 VAL 13 4.199 3.781 0.181 122 H CYS 14 H CYS 14 7.989 4.628 -2.850 123 HA CYS 14 HA CYS 14 7.207 2.687 -4.977 124 HB2 CYS 14 HB2 CYS 14 9.227 4.007 -5.375 125 HB3 CYS 14 HB3 CYS 14 9.926 3.452 -3.848 126 H GLY 15 H GLY 15 6.427 0.779 -4.279 127 HA2 GLY 15 HA2 GLY 15 6.965 -0.387 -1.663 128 HA3 GLY 15 HA3 GLY 15 6.183 -1.165 -3.044 129 H SER 16 H SER 16 8.018 -2.398 -1.292 130 HA SER 16 HA SER 16 10.643 -2.662 -2.387 131 HB2 SER 16 HB2 SER 16 9.039 -4.703 -0.812 132 HB3 SER 16 HB3 SER 16 10.784 -4.770 -1.117 133 HG SER 16 HG SER 16 9.445 -2.612 0.178 134 H ASP 17 H ASP 17 7.660 -4.087 -3.494 135 HA ASP 17 HA ASP 17 8.860 -6.076 -5.282 136 HB2 ASP 17 HB2 ASP 17 6.582 -6.254 -4.267 137 HB3 ASP 17 HB3 ASP 17 6.072 -4.855 -5.210 138 H GLY 18 H GLY 18 8.313 -2.665 -5.425 139 HA2 GLY 18 HA2 GLY 18 9.352 -1.258 -7.060 140 HA3 GLY 18 HA3 GLY 18 9.077 -2.481 -8.305 141 H ARG 19 H ARG 19 6.315 -2.576 -6.717 142 HA ARG 19 HA ARG 19 4.743 -1.062 -8.593 143 HB2 ARG 19 HB2 ARG 19 4.149 -3.196 -7.358 144 HB3 ARG 19 HB3 ARG 19 3.922 -2.229 -5.902 145 HG2 ARG 19 HG2 ARG 19 2.048 -1.036 -6.927 146 HG3 ARG 19 HG3 ARG 19 2.396 -1.766 -8.510 147 HD2 ARG 19 HD2 ARG 19 1.845 -3.998 -7.595 148 HD3 ARG 19 HD3 ARG 19 1.502 -3.263 -6.019 149 HE ARG 19 HE ARG 19 -0.048 -2.008 -8.112 150 HH11 ARG 19 HH11 ARG 19 -0.066 -4.902 -6.153 151 HH12 ARG 19 HH12 ARG 19 -1.784 -5.124 -6.331 152 HH21 ARG 19 HH21 ARG 19 -2.221 -2.355 -8.331 153 HH22 ARG 19 HH22 ARG 19 -2.963 -3.718 -7.550 154 H THR 20 H THR 20 3.328 0.546 -8.149 155 HA THR 20 HA THR 20 3.964 2.563 -5.998 156 HB THR 20 HB THR 20 2.931 2.998 -8.830 157 HG1 THR 20 HG1 THR 20 5.115 2.744 -8.763 158 HG21 THR 20 HG21 THR 20 1.843 4.627 -7.307 159 HG22 THR 20 HG22 THR 20 3.006 5.383 -8.379 160 HG23 THR 20 HG23 THR 20 3.443 5.088 -6.674 161 H TYR 21 H TYR 21 2.376 3.142 -4.666 162 HA TYR 21 HA TYR 21 -0.454 2.475 -5.270 163 HB2 TYR 21 HB2 TYR 21 0.446 2.472 -2.442 164 HB3 TYR 21 HB3 TYR 21 -0.744 1.475 -3.278 165 HD1 TYR 21 HD1 TYR 21 2.856 1.945 -2.544 166 HD2 TYR 21 HD2 TYR 21 -0.164 -0.770 -3.998 167 HE1 TYR 21 HE1 TYR 21 4.468 0.078 -2.392 168 HE2 TYR 21 HE2 TYR 21 1.462 -2.652 -3.837 169 HH TYR 21 HH TYR 21 3.623 -3.261 -3.406 170 H ALA 22 H ALA 22 -1.909 3.716 -3.616 171 HA ALA 22 HA ALA 22 -1.742 6.465 -4.158 172 HB1 ALA 22 HB1 ALA 22 -3.292 5.042 -1.945 173 HB2 ALA 22 HB2 ALA 22 -3.626 6.662 -2.583 174 HB3 ALA 22 HB3 ALA 22 -3.822 5.245 -3.632 175 H ASN 23 H ASN 23 -0.950 4.870 -1.014 176 HA ASN 23 HA ASN 23 1.111 6.751 -0.426 177 HB2 ASN 23 HB2 ASN 23 0.153 7.886 1.475 178 HB3 ASN 23 HB3 ASN 23 -0.949 8.125 0.141 179 HD21 ASN 23 HD21 ASN 23 -1.733 8.512 2.789 180 HD22 ASN 23 HD22 ASN 23 -2.904 7.258 3.172 181 H SER 24 H SER 24 1.657 6.487 2.106 182 HA SER 24 HA SER 24 2.641 3.864 2.447 183 HB2 SER 24 HB2 SER 24 3.501 5.914 3.593 184 HB3 SER 24 HB3 SER 24 2.068 5.902 4.635 185 HG SER 24 HG SER 24 4.169 3.983 4.477 186 H CYS 25 H CYS 25 -0.414 5.225 3.661 187 HA CYS 25 HA CYS 25 -1.154 3.216 5.519 188 HB2 CYS 25 HB2 CYS 25 -2.264 5.344 5.432 189 HB3 CYS 25 HB3 CYS 25 -2.789 5.085 3.772 190 H ILE 26 H ILE 26 -1.738 3.381 1.968 191 HA ILE 26 HA ILE 26 -3.210 0.859 2.038 192 HB ILE 26 HB ILE 26 -3.508 2.903 0.409 193 HG12 ILE 26 HG12 ILE 26 -4.206 1.161 -1.414 194 HG13 ILE 26 HG13 ILE 26 -3.606 -0.049 -0.274 195 HG21 ILE 26 HG21 ILE 26 -1.509 1.332 -1.207 196 HG22 ILE 26 HG22 ILE 26 -2.541 2.659 -1.776 197 HG23 ILE 26 HG23 ILE 26 -1.298 2.988 -0.578 198 HD11 ILE 26 HD11 ILE 26 -5.864 1.962 0.200 199 HD12 ILE 26 HD12 ILE 26 -6.033 0.212 -0.055 200 HD13 ILE 26 HD13 ILE 26 -5.276 0.818 1.424 201 H ALA 27 H ALA 27 -0.056 1.977 1.007 202 HA ALA 27 HA ALA 27 0.975 -0.360 -0.074 203 HB1 ALA 27 HB1 ALA 27 3.203 0.593 0.329 204 HB2 ALA 27 HB2 ALA 27 2.067 1.863 -0.169 205 HB3 ALA 27 HB3 ALA 27 2.534 1.707 1.537 206 H ARG 28 H ARG 28 1.233 0.648 3.320 207 HA ARG 28 HA ARG 28 2.494 -1.688 4.430 208 HB2 ARG 28 HB2 ARG 28 0.561 0.297 5.707 209 HB3 ARG 28 HB3 ARG 28 1.566 -0.832 6.595 210 HG2 ARG 28 HG2 ARG 28 3.120 0.957 4.772 211 HG3 ARG 28 HG3 ARG 28 2.168 1.803 5.984 212 HD2 ARG 28 HD2 ARG 28 4.325 1.484 6.892 213 HD3 ARG 28 HD3 ARG 28 3.202 0.437 7.774 214 HE ARG 28 HE ARG 28 4.484 -0.973 5.579 215 HH11 ARG 28 HH11 ARG 28 5.155 0.121 8.832 216 HH12 ARG 28 HH12 ARG 28 6.401 -1.071 9.083 217 HH21 ARG 28 HH21 ARG 28 6.060 -2.485 5.958 218 HH22 ARG 28 HH22 ARG 28 6.915 -2.485 7.473 219 H CYS 29 H CYS 29 -0.944 -0.929 3.882 220 HA CYS 29 HA CYS 29 -1.949 -3.225 5.363 221 HB2 CYS 29 HB2 CYS 29 -3.219 -1.173 5.127 222 HB3 CYS 29 HB3 CYS 29 -3.257 -1.333 3.372 223 H ASN 30 H ASN 30 -1.107 -2.607 1.996 224 HA ASN 30 HA ASN 30 -2.021 -5.083 0.875 225 HB2 ASN 30 HB2 ASN 30 -0.677 -2.672 -0.002 226 HB3 ASN 30 HB3 ASN 30 0.296 -4.016 -0.501 227 HD21 ASN 30 HD21 ASN 30 -3.012 -2.691 -0.590 228 HD22 ASN 30 HD22 ASN 30 -3.446 -3.501 -2.091 229 H GLY 31 H GLY 31 0.415 -4.686 3.188 230 HA2 GLY 31 HA2 GLY 31 1.571 -6.420 4.214 231 HA3 GLY 31 HA3 GLY 31 1.274 -7.470 2.835 232 H VAL 32 H VAL 32 2.681 -4.338 2.205 233 HA VAL 32 HA VAL 32 5.357 -5.581 1.693 234 HB VAL 32 HB VAL 32 4.587 -3.248 0.050 235 HG11 VAL 32 HG11 VAL 32 5.771 -4.514 -1.690 236 HG12 VAL 32 HG12 VAL 32 6.750 -4.442 -0.224 237 HG13 VAL 32 HG13 VAL 32 5.866 -5.931 -0.627 238 HG21 VAL 32 HG21 VAL 32 3.295 -5.960 -0.463 239 HG22 VAL 32 HG22 VAL 32 2.479 -4.401 -0.186 240 HG23 VAL 32 HG23 VAL 32 3.412 -4.654 -1.655 241 H SER 33 H SER 33 7.195 -4.108 1.747 242 HA SER 33 HA SER 33 6.871 -1.752 3.571 243 HB2 SER 33 HB2 SER 33 8.561 -3.485 4.208 244 HB3 SER 33 HB3 SER 33 9.434 -3.149 2.699 245 HG SER 33 HG SER 33 10.259 -1.989 4.504 246 H ILE 34 H ILE 34 8.336 0.037 2.977 247 HA ILE 34 HA ILE 34 8.174 0.665 0.054 248 HB ILE 34 HB ILE 34 7.953 2.944 0.501 249 HG12 ILE 34 HG12 ILE 34 7.516 3.577 3.098 250 HG13 ILE 34 HG13 ILE 34 8.740 2.340 3.336 251 HG21 ILE 34 HG21 ILE 34 6.055 1.490 2.383 252 HG22 ILE 34 HG22 ILE 34 5.797 3.056 1.609 253 HG23 ILE 34 HG23 ILE 34 5.899 1.591 0.612 254 HD11 ILE 34 HD11 ILE 34 9.704 4.620 3.173 255 HD12 ILE 34 HD12 ILE 34 10.275 3.636 1.817 256 HD13 ILE 34 HD13 ILE 34 8.985 4.828 1.564 257 H LYS 35 H LYS 35 9.898 1.400 -0.998 258 HA LYS 35 HA LYS 35 12.570 1.114 0.302 259 HB2 LYS 35 HB2 LYS 35 11.743 -0.122 -1.893 260 HB3 LYS 35 HB3 LYS 35 12.049 1.427 -2.671 261 HG2 LYS 35 HG2 LYS 35 13.990 0.111 -2.987 262 HG3 LYS 35 HG3 LYS 35 14.439 1.292 -1.750 263 HD2 LYS 35 HD2 LYS 35 14.076 -0.420 0.019 264 HD3 LYS 35 HD3 LYS 35 13.560 -1.595 -1.191 265 HE2 LYS 35 HE2 LYS 35 16.317 -0.282 -1.092 266 HE3 LYS 35 HE3 LYS 35 15.930 -1.837 -0.352 267 HZ1 LYS 35 HZ1 LYS 35 15.351 -2.683 -2.562 268 HZ2 LYS 35 HZ2 LYS 35 16.890 -2.160 -2.538 269 HZ3 LYS 35 HZ3 LYS 35 15.744 -1.259 -3.258 270 H SER 36 H SER 36 10.503 3.434 -1.302 271 HA SER 36 HA SER 36 11.930 5.675 -0.161 272 HB2 SER 36 HB2 SER 36 12.569 6.807 -2.222 273 HB3 SER 36 HB3 SER 36 13.354 5.229 -2.136 274 HG SER 36 HG SER 36 11.267 6.101 -3.815 275 H GLU 37 H GLU 37 10.940 7.783 -0.878 276 HA GLU 37 HA GLU 37 8.008 7.677 -1.069 277 HB2 GLU 37 HB2 GLU 37 8.113 10.085 -0.824 278 HB3 GLU 37 HB3 GLU 37 9.083 9.299 0.418 279 HG2 GLU 37 HG2 GLU 37 11.153 9.800 -0.910 280 HG3 GLU 37 HG3 GLU 37 10.161 10.632 -2.109 281 H GLY 38 H GLY 38 6.799 8.828 -2.715 282 HA2 GLY 38 HA2 GLY 38 6.315 9.641 -4.818 283 HA3 GLY 38 HA3 GLY 38 8.020 9.568 -5.279 284 H SER 39 H SER 39 6.128 8.718 -7.093 285 HA SER 39 HA SER 39 5.715 5.850 -7.062 286 HB2 SER 39 HB2 SER 39 5.317 6.176 -9.521 287 HB3 SER 39 HB3 SER 39 4.303 7.143 -8.443 288 HG SER 39 HG SER 39 5.117 8.394 -10.182 289 H CYS 40 H CYS 40 6.787 4.275 -8.190 290 HA CYS 40 HA CYS 40 9.716 4.715 -8.394 291 HB2 CYS 40 HB2 CYS 40 8.145 2.571 -7.479 292 HB3 CYS 40 HB3 CYS 40 8.852 1.990 -8.979 293 HA PRO 41 HA PRO 41 9.608 4.899 -12.848 294 HB2 PRO 41 HB2 PRO 41 12.157 4.170 -13.543 295 HB3 PRO 41 HB3 PRO 41 11.765 5.719 -12.738 296 HG2 PRO 41 HG2 PRO 41 12.741 3.150 -11.450 297 HG3 PRO 41 HG3 PRO 41 13.367 4.814 -11.213 298 HD2 PRO 41 HD2 PRO 41 11.593 3.687 -9.488 299 HD3 PRO 41 HD3 PRO 41 11.503 5.423 -9.891 300 H THR 42 H THR 42 9.384 3.609 -14.678 301 HA THR 42 HA THR 42 8.704 0.825 -14.229 302 HB THR 42 HB THR 42 7.463 2.410 -15.694 303 HG1 THR 42 HG1 THR 42 6.967 0.850 -17.208 304 HG21 THR 42 HG21 THR 42 8.138 2.746 -18.006 305 HG22 THR 42 HG22 THR 42 9.652 1.858 -17.746 306 HG23 THR 42 HG23 THR 42 9.375 3.419 -16.936 307 H GLY 43 H GLY 43 11.602 2.257 -15.043 308 HA2 GLY 43 HA2 GLY 43 13.687 1.006 -14.997 309 HA3 GLY 43 HA3 GLY 43 12.887 -0.356 -15.772 310 H ILE 44 H ILE 44 13.861 3.011 -16.313 311 HA ILE 44 HA ILE 44 13.743 3.008 -19.186 312 HB ILE 44 HB ILE 44 13.603 5.023 -17.778 313 HG12 ILE 44 HG12 ILE 44 15.888 5.205 -19.781 314 HG13 ILE 44 HG13 ILE 44 14.189 5.024 -20.229 315 HG21 ILE 44 HG21 ILE 44 16.626 4.793 -17.422 316 HG22 ILE 44 HG22 ILE 44 15.570 6.076 -16.807 317 HG23 ILE 44 HG23 ILE 44 15.442 4.447 -16.147 318 HD11 ILE 44 HD11 ILE 44 13.650 7.146 -19.034 319 HD12 ILE 44 HD12 ILE 44 15.387 7.374 -18.709 320 HD13 ILE 44 HD13 ILE 44 14.791 7.356 -20.376 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 -11.689 -0.473 -7.459 2 H2 LYS 1 H2 LYS 1 -10.587 0.378 -6.607 3 H3 LYS 1 H3 LYS 1 -10.228 -1.131 -7.130 4 HA LYS 1 HA LYS 1 -12.292 -0.463 -5.126 5 HB2 LYS 1 HB2 LYS 1 -12.771 -2.464 -6.653 6 HB3 LYS 1 HB3 LYS 1 -11.346 -3.231 -5.982 7 HG2 LYS 1 HG2 LYS 1 -13.028 -4.153 -4.683 8 HG3 LYS 1 HG3 LYS 1 -12.476 -2.850 -3.652 9 HD2 LYS 1 HD2 LYS 1 -14.844 -2.755 -3.555 10 HD3 LYS 1 HD3 LYS 1 -14.379 -1.421 -4.600 11 HE2 LYS 1 HE2 LYS 1 -16.268 -2.456 -5.617 12 HE3 LYS 1 HE3 LYS 1 -14.880 -2.899 -6.607 13 HZ1 LYS 1 HZ1 LYS 1 -14.865 -5.071 -5.464 14 HZ2 LYS 1 HZ2 LYS 1 -16.315 -4.810 -6.159 15 HZ3 LYS 1 HZ3 LYS 1 -16.148 -4.636 -4.548 16 H LYS 2 H LYS 2 -11.218 0.315 -3.356 17 HA LYS 2 HA LYS 2 -8.509 -0.623 -2.604 18 HB2 LYS 2 HB2 LYS 2 -10.472 1.321 -1.291 19 HB3 LYS 2 HB3 LYS 2 -8.990 0.788 -0.524 20 HG2 LYS 2 HG2 LYS 2 -8.200 2.698 -1.435 21 HG3 LYS 2 HG3 LYS 2 -7.776 1.561 -2.695 22 HD2 LYS 2 HD2 LYS 2 -8.646 3.495 -3.785 23 HD3 LYS 2 HD3 LYS 2 -9.875 2.256 -3.941 24 HE2 LYS 2 HE2 LYS 2 -11.011 4.280 -3.415 25 HE3 LYS 2 HE3 LYS 2 -11.086 3.285 -1.960 26 HZ1 LYS 2 HZ1 LYS 2 -10.479 5.591 -1.463 27 HZ2 LYS 2 HZ2 LYS 2 -9.161 5.511 -2.421 28 HZ3 LYS 2 HZ3 LYS 2 -9.239 4.615 -1.053 29 H VAL 3 H VAL 3 -8.050 -1.540 -0.563 30 HA VAL 3 HA VAL 3 -10.160 -3.347 0.557 31 HB VAL 3 HB VAL 3 -7.239 -4.131 0.343 32 HG11 VAL 3 HG11 VAL 3 -8.201 -6.449 0.369 33 HG12 VAL 3 HG12 VAL 3 -8.566 -5.569 1.840 34 HG13 VAL 3 HG13 VAL 3 -9.820 -5.751 0.596 35 HG21 VAL 3 HG21 VAL 3 -7.918 -3.754 -1.980 36 HG22 VAL 3 HG22 VAL 3 -7.840 -5.481 -1.672 37 HG23 VAL 3 HG23 VAL 3 -9.421 -4.670 -1.719 38 H CYS 4 H CYS 4 -8.568 -0.738 1.360 39 HA CYS 4 HA CYS 4 -8.597 -1.289 4.258 40 HB2 CYS 4 HB2 CYS 4 -6.275 -1.763 3.136 41 HB3 CYS 4 HB3 CYS 4 -6.117 -0.012 3.087 42 H ALA 5 H ALA 5 -8.995 0.523 5.512 43 HA ALA 5 HA ALA 5 -10.136 2.849 4.184 44 HB1 ALA 5 HB1 ALA 5 -11.221 1.818 6.117 45 HB2 ALA 5 HB2 ALA 5 -9.799 2.156 7.132 46 HB3 ALA 5 HB3 ALA 5 -10.767 3.495 6.475 47 H CYS 6 H CYS 6 -8.519 4.016 3.172 48 HA CYS 6 HA CYS 6 -6.541 5.422 4.869 49 HB2 CYS 6 HB2 CYS 6 -6.251 4.275 2.070 50 HB3 CYS 6 HB3 CYS 6 -5.106 5.377 2.800 51 HA PRO 7 HA PRO 7 -8.226 9.089 3.157 52 HB2 PRO 7 HB2 PRO 7 -6.160 10.856 3.276 53 HB3 PRO 7 HB3 PRO 7 -6.875 10.088 4.732 54 HG2 PRO 7 HG2 PRO 7 -4.396 9.225 3.227 55 HG3 PRO 7 HG3 PRO 7 -4.564 9.546 4.987 56 HD2 PRO 7 HD2 PRO 7 -4.780 7.042 3.984 57 HD3 PRO 7 HD3 PRO 7 -5.853 7.559 5.308 58 H LYS 8 H LYS 8 -8.106 10.757 1.485 59 HA LYS 8 HA LYS 8 -7.548 9.584 -1.130 60 HB2 LYS 8 HB2 LYS 8 -8.682 12.313 -0.381 61 HB3 LYS 8 HB3 LYS 8 -8.687 11.597 -1.993 62 HG2 LYS 8 HG2 LYS 8 -9.930 9.578 -0.747 63 HG3 LYS 8 HG3 LYS 8 -10.299 10.835 0.435 64 HD2 LYS 8 HD2 LYS 8 -12.152 10.720 -1.058 65 HD3 LYS 8 HD3 LYS 8 -11.287 12.210 -1.476 66 HE2 LYS 8 HE2 LYS 8 -10.204 11.068 -3.382 67 HE3 LYS 8 HE3 LYS 8 -10.912 9.525 -2.895 68 HZ1 LYS 8 HZ1 LYS 8 -12.173 10.557 -4.692 69 HZ2 LYS 8 HZ2 LYS 8 -12.466 11.891 -3.800 70 HZ3 LYS 8 HZ3 LYS 8 -13.111 10.452 -3.362 71 H ILE 9 H ILE 9 -5.613 11.322 0.783 72 HA ILE 9 HA ILE 9 -4.454 13.340 -0.778 73 HB ILE 9 HB ILE 9 -2.958 11.696 1.274 74 HG12 ILE 9 HG12 ILE 9 -4.499 14.276 1.817 75 HG13 ILE 9 HG13 ILE 9 -5.202 12.690 2.103 76 HG21 ILE 9 HG21 ILE 9 -2.535 14.557 0.299 77 HG22 ILE 9 HG22 ILE 9 -1.636 13.792 1.621 78 HG23 ILE 9 HG23 ILE 9 -1.473 13.165 -0.004 79 HD11 ILE 9 HD11 ILE 9 -4.382 13.508 4.191 80 HD12 ILE 9 HD12 ILE 9 -3.371 12.138 3.693 81 HD13 ILE 9 HD13 ILE 9 -2.769 13.807 3.532 82 H LEU 10 H LEU 10 -3.022 13.467 -2.237 83 HA LEU 10 HA LEU 10 -1.889 11.119 -3.675 84 HB2 LEU 10 HB2 LEU 10 -2.010 14.092 -4.316 85 HB3 LEU 10 HB3 LEU 10 -1.005 12.987 -5.225 86 HG LEU 10 HG LEU 10 -3.007 13.450 -6.422 87 HD11 LEU 10 HD11 LEU 10 -3.708 11.212 -6.992 88 HD12 LEU 10 HD12 LEU 10 -3.107 10.568 -5.453 89 HD13 LEU 10 HD13 LEU 10 -1.968 11.211 -6.662 90 HD21 LEU 10 HD21 LEU 10 -4.627 12.098 -4.253 91 HD22 LEU 10 HD22 LEU 10 -5.219 12.800 -5.766 92 HD23 LEU 10 HD23 LEU 10 -4.552 13.858 -4.510 93 H LYS 11 H LYS 11 -0.545 10.488 -1.881 94 HA LYS 11 HA LYS 11 2.173 11.757 -2.063 95 HB2 LYS 11 HB2 LYS 11 0.665 10.944 0.434 96 HB3 LYS 11 HB3 LYS 11 2.433 10.937 0.369 97 HG2 LYS 11 HG2 LYS 11 2.528 13.291 -0.185 98 HG3 LYS 11 HG3 LYS 11 0.774 13.380 -0.292 99 HD2 LYS 11 HD2 LYS 11 1.428 14.342 1.772 100 HD3 LYS 11 HD3 LYS 11 0.597 12.840 2.148 101 HE2 LYS 11 HE2 LYS 11 3.634 12.946 1.941 102 HE3 LYS 11 HE3 LYS 11 2.824 13.554 3.381 103 HZ1 LYS 11 HZ1 LYS 11 2.579 10.769 2.384 104 HZ2 LYS 11 HZ2 LYS 11 1.807 11.375 3.697 105 HZ3 LYS 11 HZ3 LYS 11 3.430 11.253 3.686 106 HA PRO 12 HA PRO 12 1.957 7.257 -3.228 107 HB2 PRO 12 HB2 PRO 12 3.401 7.364 -5.584 108 HB3 PRO 12 HB3 PRO 12 1.641 7.662 -5.465 109 HG2 PRO 12 HG2 PRO 12 3.880 9.704 -5.490 110 HG3 PRO 12 HG3 PRO 12 2.371 9.698 -6.461 111 HD2 PRO 12 HD2 PRO 12 2.566 11.163 -4.194 112 HD3 PRO 12 HD3 PRO 12 1.054 10.287 -4.582 113 H VAL 13 H VAL 13 3.654 5.671 -3.520 114 HA VAL 13 HA VAL 13 6.368 6.332 -2.540 115 HB VAL 13 HB VAL 13 6.233 4.678 -0.722 116 HG11 VAL 13 HG11 VAL 13 4.048 6.754 -0.332 117 HG12 VAL 13 HG12 VAL 13 5.036 5.967 0.911 118 HG13 VAL 13 HG13 VAL 13 5.785 7.094 -0.227 119 HG21 VAL 13 HG21 VAL 13 4.002 3.924 0.127 120 HG22 VAL 13 HG22 VAL 13 3.247 4.545 -1.344 121 HG23 VAL 13 HG23 VAL 13 4.431 3.219 -1.434 122 H CYS 14 H CYS 14 7.874 4.585 -2.748 123 HA CYS 14 HA CYS 14 7.145 2.648 -4.901 124 HB2 CYS 14 HB2 CYS 14 9.109 4.004 -5.320 125 HB3 CYS 14 HB3 CYS 14 9.846 3.484 -3.798 126 H GLY 15 H GLY 15 6.373 0.763 -4.218 127 HA2 GLY 15 HA2 GLY 15 6.881 -0.452 -1.630 128 HA3 GLY 15 HA3 GLY 15 6.087 -1.188 -3.022 129 H SER 16 H SER 16 7.804 -2.534 -1.295 130 HA SER 16 HA SER 16 10.407 -2.934 -2.316 131 HB2 SER 16 HB2 SER 16 9.387 -3.738 -0.123 132 HB3 SER 16 HB3 SER 16 8.783 -5.135 -1.038 133 HG SER 16 HG SER 16 10.859 -5.512 -0.091 134 H ASP 17 H ASP 17 7.401 -4.140 -3.584 135 HA ASP 17 HA ASP 17 8.531 -6.105 -5.436 136 HB2 ASP 17 HB2 ASP 17 6.210 -6.172 -4.518 137 HB3 ASP 17 HB3 ASP 17 5.834 -4.687 -5.391 138 H GLY 18 H GLY 18 8.308 -2.668 -5.413 139 HA2 GLY 18 HA2 GLY 18 9.381 -1.205 -6.941 140 HA3 GLY 18 HA3 GLY 18 9.189 -2.390 -8.240 141 H ARG 19 H ARG 19 6.346 -2.476 -6.780 142 HA ARG 19 HA ARG 19 4.858 -0.911 -8.695 143 HB2 ARG 19 HB2 ARG 19 4.249 -3.086 -7.467 144 HB3 ARG 19 HB3 ARG 19 3.893 -2.093 -6.058 145 HG2 ARG 19 HG2 ARG 19 2.123 -0.910 -7.295 146 HG3 ARG 19 HG3 ARG 19 2.567 -1.737 -8.795 147 HD2 ARG 19 HD2 ARG 19 1.440 -3.055 -6.292 148 HD3 ARG 19 HD3 ARG 19 0.529 -2.635 -7.750 149 HE ARG 19 HE ARG 19 2.838 -4.389 -8.232 150 HH11 ARG 19 HH11 ARG 19 -0.569 -4.443 -7.451 151 HH12 ARG 19 HH12 ARG 19 -0.766 -6.076 -8.025 152 HH21 ARG 19 HH21 ARG 19 2.547 -6.445 -8.909 153 HH22 ARG 19 HH22 ARG 19 0.967 -7.176 -8.853 154 H THR 20 H THR 20 3.441 0.705 -8.241 155 HA THR 20 HA THR 20 4.046 2.623 -5.997 156 HB THR 20 HB THR 20 3.035 3.224 -8.804 157 HG1 THR 20 HG1 THR 20 5.215 2.800 -8.745 158 HG21 THR 20 HG21 THR 20 3.687 5.122 -6.512 159 HG22 THR 20 HG22 THR 20 2.071 4.836 -7.206 160 HG23 THR 20 HG23 THR 20 3.316 5.587 -8.192 161 H TYR 21 H TYR 21 2.424 3.255 -4.702 162 HA TYR 21 HA TYR 21 -0.396 2.590 -5.366 163 HB2 TYR 21 HB2 TYR 21 0.484 2.557 -2.524 164 HB3 TYR 21 HB3 TYR 21 -0.739 1.607 -3.362 165 HD1 TYR 21 HD2 TYR 21 2.836 1.929 -2.531 166 HD2 TYR 21 HD1 TYR 21 -0.194 -0.621 -4.237 167 HE1 TYR 21 HE2 TYR 21 4.382 0.007 -2.390 168 HE2 TYR 21 HE1 TYR 21 1.377 -2.555 -4.111 169 HH TYR 21 HH TYR 21 3.494 -3.252 -3.606 170 H ALA 22 H ALA 22 -1.868 3.795 -3.665 171 HA ALA 22 HA ALA 22 -1.766 6.547 -4.209 172 HB1 ALA 22 HB1 ALA 22 -3.627 6.705 -2.606 173 HB2 ALA 22 HB2 ALA 22 -3.809 5.278 -3.644 174 HB3 ALA 22 HB3 ALA 22 -3.246 5.096 -1.965 175 H ASN 23 H ASN 23 -0.916 4.970 -1.076 176 HA ASN 23 HA ASN 23 1.133 6.881 -0.520 177 HB2 ASN 23 HB2 ASN 23 0.207 7.943 1.432 178 HB3 ASN 23 HB3 ASN 23 -0.942 8.184 0.136 179 HD21 ASN 23 HD21 ASN 23 -1.679 8.511 2.791 180 HD22 ASN 23 HD22 ASN 23 -2.792 7.214 3.197 181 H SER 24 H SER 24 1.687 6.561 2.058 182 HA SER 24 HA SER 24 2.762 3.949 2.299 183 HB2 SER 24 HB2 SER 24 3.239 4.647 4.653 184 HB3 SER 24 HB3 SER 24 3.737 5.842 3.442 185 HG SER 24 HG SER 24 2.632 6.869 5.137 186 H CYS 25 H CYS 25 -0.243 5.275 3.591 187 HA CYS 25 HA CYS 25 -0.938 3.246 5.442 188 HB2 CYS 25 HB2 CYS 25 -2.054 5.382 5.386 189 HB3 CYS 25 HB3 CYS 25 -2.662 5.092 3.760 190 H ILE 26 H ILE 26 -1.709 3.466 1.924 191 HA ILE 26 HA ILE 26 -3.187 0.966 2.007 192 HB ILE 26 HB ILE 26 -3.449 2.990 0.368 193 HG12 ILE 26 HG12 ILE 26 -4.090 1.202 -1.480 194 HG13 ILE 26 HG13 ILE 26 -3.587 0.033 -0.250 195 HG21 ILE 26 HG21 ILE 26 -2.460 2.755 -1.808 196 HG22 ILE 26 HG22 ILE 26 -1.226 3.061 -0.594 197 HG23 ILE 26 HG23 ILE 26 -1.445 1.415 -1.243 198 HD11 ILE 26 HD11 ILE 26 -6.027 0.390 -0.181 199 HD12 ILE 26 HD12 ILE 26 -5.303 1.021 1.310 200 HD13 ILE 26 HD13 ILE 26 -5.793 2.138 0.020 201 H ALA 27 H ALA 27 -0.016 2.013 0.950 202 HA ALA 27 HA ALA 27 0.974 -0.350 -0.093 203 HB1 ALA 27 HB1 ALA 27 3.215 0.580 0.266 204 HB2 ALA 27 HB2 ALA 27 2.091 1.862 -0.230 205 HB3 ALA 27 HB3 ALA 27 2.581 1.719 1.468 206 H ARG 28 H ARG 28 1.325 0.738 3.264 207 HA ARG 28 HA ARG 28 2.561 -1.602 4.400 208 HB2 ARG 28 HB2 ARG 28 0.776 0.518 5.683 209 HB3 ARG 28 HB3 ARG 28 1.733 -0.659 6.570 210 HG2 ARG 28 HG2 ARG 28 3.412 0.830 4.662 211 HG3 ARG 28 HG3 ARG 28 2.527 1.928 5.713 212 HD2 ARG 28 HD2 ARG 28 4.195 -0.395 6.752 213 HD3 ARG 28 HD3 ARG 28 4.812 1.249 6.504 214 HE ARG 28 HE ARG 28 2.424 1.313 8.117 215 HH11 ARG 28 HH11 ARG 28 5.827 0.591 8.432 216 HH12 ARG 28 HH12 ARG 28 5.865 1.047 10.115 217 HH21 ARG 28 HH21 ARG 28 2.523 1.873 10.256 218 HH22 ARG 28 HH22 ARG 28 4.028 1.746 11.113 219 H CYS 29 H CYS 29 -0.879 -0.755 3.930 220 HA CYS 29 HA CYS 29 -1.836 -2.993 5.528 221 HB2 CYS 29 HB2 CYS 29 -2.948 -0.756 5.189 222 HB3 CYS 29 HB3 CYS 29 -3.378 -1.275 3.557 223 H ASN 30 H ASN 30 -1.036 -2.521 2.149 224 HA ASN 30 HA ASN 30 -2.131 -4.969 1.100 225 HB2 ASN 30 HB2 ASN 30 -0.662 -2.678 0.129 226 HB3 ASN 30 HB3 ASN 30 0.269 -4.083 -0.280 227 HD21 ASN 30 HD21 ASN 30 -2.917 -2.553 -0.595 228 HD22 ASN 30 HD22 ASN 30 -3.364 -3.456 -2.042 229 H GLY 31 H GLY 31 0.421 -4.558 3.332 230 HA2 GLY 31 HA2 GLY 31 1.539 -6.298 4.415 231 HA3 GLY 31 HA3 GLY 31 1.169 -7.398 3.096 232 H VAL 32 H VAL 32 2.617 -4.376 2.142 233 HA VAL 32 HA VAL 32 5.262 -5.706 1.747 234 HB VAL 32 HB VAL 32 4.962 -3.586 -0.139 235 HG11 VAL 32 HG11 VAL 32 5.324 -5.371 -1.770 236 HG12 VAL 32 HG12 VAL 32 6.383 -5.591 -0.369 237 HG13 VAL 32 HG13 VAL 32 4.928 -6.599 -0.547 238 HG21 VAL 32 HG21 VAL 32 3.148 -4.383 -1.581 239 HG22 VAL 32 HG22 VAL 32 2.613 -5.508 -0.327 240 HG23 VAL 32 HG23 VAL 32 2.543 -3.742 -0.053 241 H SER 33 H SER 33 7.119 -4.501 1.887 242 HA SER 33 HA SER 33 7.083 -2.071 3.585 243 HB2 SER 33 HB2 SER 33 9.362 -3.636 2.295 244 HB3 SER 33 HB3 SER 33 9.565 -2.234 3.359 245 HG SER 33 HG SER 33 8.257 -4.675 4.066 246 H ILE 34 H ILE 34 8.463 -0.186 2.853 247 HA ILE 34 HA ILE 34 8.333 0.338 -0.081 248 HB ILE 34 HB ILE 34 7.838 2.630 0.313 249 HG12 ILE 34 HG12 ILE 34 6.842 3.031 2.840 250 HG13 ILE 34 HG13 ILE 34 8.234 2.030 3.218 251 HG21 ILE 34 HG21 ILE 34 5.981 1.050 0.007 252 HG22 ILE 34 HG22 ILE 34 5.830 0.867 1.770 253 HG23 ILE 34 HG23 ILE 34 5.511 2.429 1.011 254 HD11 ILE 34 HD11 ILE 34 8.796 4.421 3.295 255 HD12 ILE 34 HD12 ILE 34 9.684 3.668 1.956 256 HD13 ILE 34 HD13 ILE 34 8.233 4.641 1.627 257 H LYS 35 H LYS 35 10.078 1.060 -1.056 258 HA LYS 35 HA LYS 35 12.699 1.081 0.285 259 HB2 LYS 35 HB2 LYS 35 11.619 1.385 -2.524 260 HB3 LYS 35 HB3 LYS 35 13.113 2.207 -2.158 261 HG2 LYS 35 HG2 LYS 35 13.662 0.115 -3.106 262 HG3 LYS 35 HG3 LYS 35 14.160 0.090 -1.411 263 HD2 LYS 35 HD2 LYS 35 12.369 -1.394 -0.806 264 HD3 LYS 35 HD3 LYS 35 11.488 -1.033 -2.297 265 HE2 LYS 35 HE2 LYS 35 12.437 -3.260 -2.471 266 HE3 LYS 35 HE3 LYS 35 13.182 -2.181 -3.652 267 HZ1 LYS 35 HZ1 LYS 35 14.403 -3.010 -1.068 268 HZ2 LYS 35 HZ2 LYS 35 15.109 -2.005 -2.153 269 HZ3 LYS 35 HZ3 LYS 35 14.830 -3.562 -2.541 270 H SER 36 H SER 36 10.482 3.454 -1.096 271 HA SER 36 HA SER 36 11.415 5.653 0.535 272 HB2 SER 36 HB2 SER 36 13.265 5.338 -1.287 273 HB3 SER 36 HB3 SER 36 12.063 5.973 -2.417 274 HG SER 36 HG SER 36 13.309 7.216 -0.185 275 H GLU 37 H GLU 37 10.622 7.788 -0.585 276 HA GLU 37 HA GLU 37 7.725 7.566 -1.112 277 HB2 GLU 37 HB2 GLU 37 7.679 9.975 -0.868 278 HB3 GLU 37 HB3 GLU 37 8.503 9.232 0.498 279 HG2 GLU 37 HG2 GLU 37 10.707 9.841 -0.495 280 HG3 GLU 37 HG3 GLU 37 9.883 10.581 -1.869 281 H GLY 38 H GLY 38 6.728 8.853 -2.832 282 HA2 GLY 38 HA2 GLY 38 6.474 9.666 -4.969 283 HA3 GLY 38 HA3 GLY 38 8.204 9.495 -5.280 284 H SER 39 H SER 39 6.237 8.785 -7.148 285 HA SER 39 HA SER 39 5.727 5.970 -7.284 286 HB2 SER 39 HB2 SER 39 6.136 7.835 -9.640 287 HB3 SER 39 HB3 SER 39 5.156 6.361 -9.569 288 HG SER 39 HG SER 39 3.893 8.297 -9.413 289 H CYS 40 H CYS 40 6.933 4.302 -8.111 290 HA CYS 40 HA CYS 40 9.822 4.766 -8.268 291 HB2 CYS 40 HB2 CYS 40 8.210 2.606 -7.494 292 HB3 CYS 40 HB3 CYS 40 8.997 2.045 -8.961 293 HA PRO 41 HA PRO 41 10.065 5.127 -12.698 294 HB2 PRO 41 HB2 PRO 41 12.648 4.336 -13.219 295 HB3 PRO 41 HB3 PRO 41 12.214 5.898 -12.462 296 HG2 PRO 41 HG2 PRO 41 13.072 3.338 -11.083 297 HG3 PRO 41 HG3 PRO 41 13.675 5.003 -10.803 298 HD2 PRO 41 HD2 PRO 41 11.784 3.889 -9.214 299 HD3 PRO 41 HD3 PRO 41 11.698 5.619 -9.650 300 H THR 42 H THR 42 9.598 3.900 -14.429 301 HA THR 42 HA THR 42 8.764 2.151 -15.600 302 HB THR 42 HB THR 42 10.871 0.297 -14.499 303 HG1 THR 42 HG1 THR 42 12.348 1.259 -15.872 304 HG21 THR 42 HG21 THR 42 9.390 -0.544 -16.349 305 HG22 THR 42 HG22 THR 42 11.067 -0.377 -16.868 306 HG23 THR 42 HG23 THR 42 9.870 0.848 -17.338 307 H GLY 43 H GLY 43 8.020 2.402 -12.575 308 HA2 GLY 43 HA2 GLY 43 7.251 -0.258 -11.723 309 HA3 GLY 43 HA3 GLY 43 6.902 1.267 -10.924 310 H ILE 44 H ILE 44 5.747 1.602 -14.006 311 HA ILE 44 HA ILE 44 3.059 0.409 -13.557 312 HB ILE 44 HB ILE 44 3.424 3.236 -14.502 313 HG12 ILE 44 HG12 ILE 44 2.486 2.272 -11.759 314 HG13 ILE 44 HG13 ILE 44 3.994 3.125 -12.096 315 HG21 ILE 44 HG21 ILE 44 0.957 3.314 -14.346 316 HG22 ILE 44 HG22 ILE 44 1.436 1.987 -15.386 317 HG23 ILE 44 HG23 ILE 44 0.928 1.653 -13.718 318 HD11 ILE 44 HD11 ILE 44 2.494 4.712 -11.172 319 HD12 ILE 44 HD12 ILE 44 2.678 5.100 -12.894 320 HD13 ILE 44 HD13 ILE 44 1.205 4.288 -12.305 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 -14.859 -7.717 -2.827 2 H2 LYS 1 H2 LYS 1 -14.013 -8.928 -3.540 3 H3 LYS 1 H3 LYS 1 -14.240 -8.927 -1.926 4 HA LYS 1 HA LYS 1 -11.980 -8.244 -2.413 5 HB2 LYS 1 HB2 LYS 1 -13.415 -6.244 -4.192 6 HB3 LYS 1 HB3 LYS 1 -11.931 -5.774 -3.390 7 HG2 LYS 1 HG2 LYS 1 -11.261 -6.496 -5.506 8 HG3 LYS 1 HG3 LYS 1 -10.732 -7.708 -4.361 9 HD2 LYS 1 HD2 LYS 1 -11.502 -8.800 -6.363 10 HD3 LYS 1 HD3 LYS 1 -12.594 -9.202 -5.059 11 HE2 LYS 1 HE2 LYS 1 -13.918 -8.804 -7.010 12 HE3 LYS 1 HE3 LYS 1 -14.205 -7.442 -5.929 13 HZ1 LYS 1 HZ1 LYS 1 -12.641 -6.136 -7.284 14 HZ2 LYS 1 HZ2 LYS 1 -13.830 -6.730 -8.226 15 HZ3 LYS 1 HZ3 LYS 1 -12.353 -7.418 -8.259 16 H LYS 2 H LYS 2 -10.995 -7.186 -0.787 17 HA LYS 2 HA LYS 2 -12.513 -5.233 0.911 18 HB2 LYS 2 HB2 LYS 2 -10.988 -7.701 1.822 19 HB3 LYS 2 HB3 LYS 2 -11.359 -6.338 2.887 20 HG2 LYS 2 HG2 LYS 2 -13.774 -6.599 2.433 21 HG3 LYS 2 HG3 LYS 2 -13.448 -8.004 1.411 22 HD2 LYS 2 HD2 LYS 2 -12.700 -7.817 4.365 23 HD3 LYS 2 HD3 LYS 2 -14.200 -8.529 3.754 24 HE2 LYS 2 HE2 LYS 2 -12.890 -10.167 2.418 25 HE3 LYS 2 HE3 LYS 2 -11.389 -9.492 3.064 26 HZ1 LYS 2 HZ1 LYS 2 -12.124 -10.149 5.290 27 HZ2 LYS 2 HZ2 LYS 2 -12.099 -11.455 4.312 28 HZ3 LYS 2 HZ3 LYS 2 -13.521 -10.759 4.701 29 H VAL 3 H VAL 3 -11.527 -3.424 0.573 30 HA VAL 3 HA VAL 3 -8.536 -3.231 0.467 31 HB VAL 3 HB VAL 3 -10.596 -1.195 -0.465 32 HG11 VAL 3 HG11 VAL 3 -8.449 -0.141 0.044 33 HG12 VAL 3 HG12 VAL 3 -7.583 -1.383 -0.901 34 HG13 VAL 3 HG13 VAL 3 -8.661 -0.216 -1.697 35 HG21 VAL 3 HG21 VAL 3 -10.744 -3.170 -1.929 36 HG22 VAL 3 HG22 VAL 3 -9.927 -1.859 -2.775 37 HG23 VAL 3 HG23 VAL 3 -8.972 -3.199 -2.100 38 H CYS 4 H CYS 4 -7.491 -1.729 1.772 39 HA CYS 4 HA CYS 4 -8.599 -1.226 4.379 40 HB2 CYS 4 HB2 CYS 4 -6.036 -1.113 3.123 41 HB3 CYS 4 HB3 CYS 4 -6.333 0.483 3.780 42 H ALA 5 H ALA 5 -9.557 0.539 5.262 43 HA ALA 5 HA ALA 5 -10.497 2.760 3.631 44 HB1 ALA 5 HB1 ALA 5 -10.591 2.264 6.639 45 HB2 ALA 5 HB2 ALA 5 -11.457 3.546 5.763 46 HB3 ALA 5 HB3 ALA 5 -11.851 1.844 5.455 47 H CYS 6 H CYS 6 -8.801 3.962 2.812 48 HA CYS 6 HA CYS 6 -7.001 5.336 4.723 49 HB2 CYS 6 HB2 CYS 6 -6.439 4.191 1.968 50 HB3 CYS 6 HB3 CYS 6 -5.406 5.380 2.733 51 HA PRO 7 HA PRO 7 -8.439 9.100 3.031 52 HB2 PRO 7 HB2 PRO 7 -6.267 10.765 3.345 53 HB3 PRO 7 HB3 PRO 7 -7.250 10.102 4.692 54 HG2 PRO 7 HG2 PRO 7 -4.614 9.070 3.637 55 HG3 PRO 7 HG3 PRO 7 -5.088 9.378 5.336 56 HD2 PRO 7 HD2 PRO 7 -5.209 6.910 4.226 57 HD3 PRO 7 HD3 PRO 7 -6.464 7.439 5.377 58 H LYS 8 H LYS 8 -8.229 10.751 1.456 59 HA LYS 8 HA LYS 8 -7.467 9.833 -1.196 60 HB2 LYS 8 HB2 LYS 8 -8.718 12.366 -0.062 61 HB3 LYS 8 HB3 LYS 8 -8.406 12.183 -1.793 62 HG2 LYS 8 HG2 LYS 8 -9.866 10.315 -2.005 63 HG3 LYS 8 HG3 LYS 8 -10.000 10.113 -0.260 64 HD2 LYS 8 HD2 LYS 8 -12.057 11.083 -1.062 65 HD3 LYS 8 HD3 LYS 8 -11.206 12.236 -0.045 66 HE2 LYS 8 HE2 LYS 8 -12.091 13.474 -1.859 67 HE3 LYS 8 HE3 LYS 8 -10.352 13.382 -2.130 68 HZ1 LYS 8 HZ1 LYS 8 -11.634 12.927 -4.156 69 HZ2 LYS 8 HZ2 LYS 8 -12.387 11.662 -3.460 70 HZ3 LYS 8 HZ3 LYS 8 -10.779 11.599 -3.752 71 H ILE 9 H ILE 9 -5.637 11.306 1.039 72 HA ILE 9 HA ILE 9 -4.257 13.343 -0.238 73 HB ILE 9 HB ILE 9 -4.096 12.933 2.120 74 HG12 ILE 9 HG12 ILE 9 -1.307 12.869 0.917 75 HG13 ILE 9 HG13 ILE 9 -2.363 14.286 0.937 76 HG21 ILE 9 HG21 ILE 9 -2.807 11.170 3.153 77 HG22 ILE 9 HG22 ILE 9 -3.849 10.386 1.962 78 HG23 ILE 9 HG23 ILE 9 -2.138 10.653 1.588 79 HD11 ILE 9 HD11 ILE 9 -0.775 14.452 2.756 80 HD12 ILE 9 HD12 ILE 9 -2.399 14.214 3.431 81 HD13 ILE 9 HD13 ILE 9 -1.241 12.863 3.386 82 H LEU 10 H LEU 10 -2.630 13.591 -1.443 83 HA LEU 10 HA LEU 10 -1.797 11.371 -3.250 84 HB2 LEU 10 HB2 LEU 10 -1.478 14.380 -3.551 85 HB3 LEU 10 HB3 LEU 10 -1.105 13.171 -4.779 86 HG LEU 10 HG LEU 10 -3.887 13.747 -3.647 87 HD11 LEU 10 HD11 LEU 10 -2.641 14.428 -6.340 88 HD12 LEU 10 HD12 LEU 10 -3.007 15.576 -5.032 89 HD13 LEU 10 HD13 LEU 10 -4.326 14.729 -5.854 90 HD21 LEU 10 HD21 LEU 10 -3.016 11.934 -5.943 91 HD22 LEU 10 HD22 LEU 10 -4.694 12.360 -5.537 92 HD23 LEU 10 HD23 LEU 10 -3.737 11.411 -4.401 93 H LYS 11 H LYS 11 -0.315 10.328 -1.906 94 HA LYS 11 HA LYS 11 2.414 11.515 -1.993 95 HB2 LYS 11 HB2 LYS 11 1.455 12.036 0.283 96 HB3 LYS 11 HB3 LYS 11 1.359 10.298 0.584 97 HG2 LYS 11 HG2 LYS 11 3.920 10.300 -0.058 98 HG3 LYS 11 HG3 LYS 11 3.835 12.034 0.157 99 HD2 LYS 11 HD2 LYS 11 3.025 10.032 2.331 100 HD3 LYS 11 HD3 LYS 11 4.674 10.569 2.074 101 HE2 LYS 11 HE2 LYS 11 3.996 11.959 3.769 102 HE3 LYS 11 HE3 LYS 11 3.859 12.976 2.337 103 HZ1 LYS 11 HZ1 LYS 11 1.603 11.563 3.674 104 HZ2 LYS 11 HZ2 LYS 11 1.449 12.547 2.367 105 HZ3 LYS 11 HZ3 LYS 11 1.921 13.156 3.804 106 HA PRO 12 HA PRO 12 2.045 7.058 -3.310 107 HB2 PRO 12 HB2 PRO 12 3.447 7.249 -5.687 108 HB3 PRO 12 HB3 PRO 12 1.687 7.527 -5.533 109 HG2 PRO 12 HG2 PRO 12 3.903 9.593 -5.544 110 HG3 PRO 12 HG3 PRO 12 2.371 9.603 -6.477 111 HD2 PRO 12 HD2 PRO 12 2.628 11.000 -4.166 112 HD3 PRO 12 HD3 PRO 12 1.101 10.149 -4.550 113 H VAL 13 H VAL 13 3.742 5.514 -3.535 114 HA VAL 13 HA VAL 13 6.505 6.242 -2.740 115 HB VAL 13 HB VAL 13 6.514 4.536 -0.965 116 HG11 VAL 13 HG11 VAL 13 4.359 6.605 -0.406 117 HG12 VAL 13 HG12 VAL 13 5.402 5.784 0.768 118 HG13 VAL 13 HG13 VAL 13 6.106 6.925 -0.388 119 HG21 VAL 13 HG21 VAL 13 4.707 3.065 -1.593 120 HG22 VAL 13 HG22 VAL 13 4.341 3.733 -0.000 121 HG23 VAL 13 HG23 VAL 13 3.501 4.366 -1.415 122 H CYS 14 H CYS 14 8.011 4.483 -3.044 123 HA CYS 14 HA CYS 14 7.116 2.498 -5.101 124 HB2 CYS 14 HB2 CYS 14 9.015 3.900 -5.738 125 HB3 CYS 14 HB3 CYS 14 9.922 3.354 -4.321 126 H GLY 15 H GLY 15 6.489 0.610 -4.295 127 HA2 GLY 15 HA2 GLY 15 7.187 -0.444 -1.666 128 HA3 GLY 15 HA3 GLY 15 6.367 -1.303 -2.974 129 H SER 16 H SER 16 8.336 -2.445 -1.278 130 HA SER 16 HA SER 16 10.877 -2.595 -2.430 131 HB2 SER 16 HB2 SER 16 10.052 -3.453 -0.168 132 HB3 SER 16 HB3 SER 16 9.659 -4.961 -1.015 133 HG SER 16 HG SER 16 11.840 -5.123 -1.619 134 H ASP 17 H ASP 17 8.005 -4.068 -3.623 135 HA ASP 17 HA ASP 17 9.328 -5.931 -5.497 136 HB2 ASP 17 HB2 ASP 17 6.470 -5.109 -4.903 137 HB3 ASP 17 HB3 ASP 17 6.862 -5.980 -6.376 138 H GLY 18 H GLY 18 8.686 -2.568 -5.499 139 HA2 GLY 18 HA2 GLY 18 9.507 -1.077 -7.151 140 HA3 GLY 18 HA3 GLY 18 9.287 -2.298 -8.404 141 H ARG 19 H ARG 19 6.577 -2.484 -6.672 142 HA ARG 19 HA ARG 19 4.846 -1.176 -8.563 143 HB2 ARG 19 HB2 ARG 19 4.519 -3.251 -6.957 144 HB3 ARG 19 HB3 ARG 19 4.131 -2.045 -5.754 145 HG2 ARG 19 HG2 ARG 19 2.052 -2.837 -6.603 146 HG3 ARG 19 HG3 ARG 19 2.250 -1.227 -7.267 147 HD2 ARG 19 HD2 ARG 19 1.408 -2.655 -9.003 148 HD3 ARG 19 HD3 ARG 19 3.087 -2.277 -9.413 149 HE ARG 19 HE ARG 19 2.933 -4.728 -7.892 150 HH11 ARG 19 HH11 ARG 19 2.272 -3.616 -11.139 151 HH12 ARG 19 HH12 ARG 19 2.515 -5.200 -11.826 152 HH21 ARG 19 HH21 ARG 19 3.242 -6.707 -8.816 153 HH22 ARG 19 HH22 ARG 19 3.047 -6.901 -10.532 154 H THR 20 H THR 20 3.386 0.435 -8.160 155 HA THR 20 HA THR 20 4.020 2.553 -6.114 156 HB THR 20 HB THR 20 2.942 2.840 -8.943 157 HG1 THR 20 HG1 THR 20 5.134 2.675 -8.872 158 HG21 THR 20 HG21 THR 20 2.942 5.248 -8.586 159 HG22 THR 20 HG22 THR 20 3.363 5.026 -6.865 160 HG23 THR 20 HG23 THR 20 1.790 4.488 -7.503 161 H TYR 21 H TYR 21 2.479 3.044 -4.700 162 HA TYR 21 HA TYR 21 -0.364 2.326 -5.217 163 HB2 TYR 21 HB2 TYR 21 0.705 2.573 -2.433 164 HB3 TYR 21 HB3 TYR 21 -0.608 1.591 -3.073 165 HD1 TYR 21 HD2 TYR 21 3.002 1.831 -2.468 166 HD2 TYR 21 HD1 TYR 21 -0.169 -0.676 -3.965 167 HE1 TYR 21 HE2 TYR 21 4.532 -0.126 -2.423 168 HE2 TYR 21 HE1 TYR 21 1.372 -2.635 -3.939 169 HH TYR 21 HH TYR 21 3.504 -3.358 -3.559 170 H ALA 22 H ALA 22 -1.820 3.657 -3.631 171 HA ALA 22 HA ALA 22 -1.665 6.418 -4.288 172 HB1 ALA 22 HB1 ALA 22 -3.755 5.196 -3.787 173 HB2 ALA 22 HB2 ALA 22 -3.256 5.015 -2.089 174 HB3 ALA 22 HB3 ALA 22 -3.582 6.627 -2.755 175 H ASN 23 H ASN 23 -0.892 4.837 -1.140 176 HA ASN 23 HA ASN 23 1.014 6.858 -0.440 177 HB2 ASN 23 HB2 ASN 23 -0.140 7.878 1.425 178 HB3 ASN 23 HB3 ASN 23 -1.149 8.065 0.012 179 HD21 ASN 23 HD21 ASN 23 -2.334 8.441 2.365 180 HD22 ASN 23 HD22 ASN 23 -3.387 7.072 2.709 181 H SER 24 H SER 24 1.495 6.659 2.102 182 HA SER 24 HA SER 24 2.526 4.070 2.537 183 HB2 SER 24 HB2 SER 24 1.935 6.201 4.628 184 HB3 SER 24 HB3 SER 24 3.054 4.832 4.802 185 HG SER 24 HG SER 24 4.147 6.759 4.198 186 H CYS 25 H CYS 25 -0.564 5.438 3.622 187 HA CYS 25 HA CYS 25 -1.283 3.506 5.580 188 HB2 CYS 25 HB2 CYS 25 -2.420 5.631 5.353 189 HB3 CYS 25 HB3 CYS 25 -2.969 5.224 3.730 190 H ILE 26 H ILE 26 -1.852 3.519 2.018 191 HA ILE 26 HA ILE 26 -3.351 1.037 2.141 192 HB ILE 26 HB ILE 26 -3.490 2.995 0.396 193 HG12 ILE 26 HG12 ILE 26 -4.120 1.253 -1.417 194 HG13 ILE 26 HG13 ILE 26 -3.635 0.034 -0.237 195 HG21 ILE 26 HG21 ILE 26 -1.404 1.355 -1.013 196 HG22 ILE 26 HG22 ILE 26 -2.389 2.669 -1.694 197 HG23 ILE 26 HG23 ILE 26 -1.244 3.029 -0.416 198 HD11 ILE 26 HD11 ILE 26 -6.076 0.438 -0.215 199 HD12 ILE 26 HD12 ILE 26 -5.381 0.909 1.343 200 HD13 ILE 26 HD13 ILE 26 -5.812 2.152 0.145 201 H ALA 27 H ALA 27 -0.110 2.000 1.140 202 HA ALA 27 HA ALA 27 0.880 -0.458 0.391 203 HB1 ALA 27 HB1 ALA 27 3.134 0.471 0.768 204 HB2 ALA 27 HB2 ALA 27 2.053 1.673 0.039 205 HB3 ALA 27 HB3 ALA 27 2.443 1.763 1.772 206 H ARG 28 H ARG 28 1.000 0.881 3.675 207 HA ARG 28 HA ARG 28 2.201 -1.263 5.126 208 HB2 ARG 28 HB2 ARG 28 0.133 0.853 5.866 209 HB3 ARG 28 HB3 ARG 28 0.805 -0.237 7.053 210 HG2 ARG 28 HG2 ARG 28 2.853 1.217 5.431 211 HG3 ARG 28 HG3 ARG 28 1.806 2.245 6.415 212 HD2 ARG 28 HD2 ARG 28 2.358 0.970 8.428 213 HD3 ARG 28 HD3 ARG 28 3.389 -0.126 7.485 214 HE ARG 28 HE ARG 28 4.431 2.372 6.932 215 HH11 ARG 28 HH11 ARG 28 3.900 0.699 9.956 216 HH12 ARG 28 HH12 ARG 28 5.216 1.520 10.749 217 HH21 ARG 28 HH21 ARG 28 6.100 3.376 7.987 218 HH22 ARG 28 HH22 ARG 28 6.429 2.990 9.649 219 H CYS 29 H CYS 29 -1.024 -1.028 3.860 220 HA CYS 29 HA CYS 29 -2.053 -3.223 5.601 221 HB2 CYS 29 HB2 CYS 29 -3.221 -1.023 5.373 222 HB3 CYS 29 HB3 CYS 29 -3.504 -1.377 3.674 223 H ASN 30 H ASN 30 -1.163 -2.482 2.310 224 HA ASN 30 HA ASN 30 -2.114 -4.891 1.012 225 HB2 ASN 30 HB2 ASN 30 0.066 -2.846 0.365 226 HB3 ASN 30 HB3 ASN 30 -0.388 -4.142 -0.705 227 HD21 ASN 30 HD21 ASN 30 -3.354 -3.929 -0.261 228 HD22 ASN 30 HD22 ASN 30 -3.735 -2.433 -1.100 229 H GLY 31 H GLY 31 0.393 -4.459 3.296 230 HA2 GLY 31 HA2 GLY 31 1.659 -6.163 4.283 231 HA3 GLY 31 HA3 GLY 31 1.229 -7.256 2.973 232 H VAL 32 H VAL 32 2.629 -4.135 2.166 233 HA VAL 32 HA VAL 32 5.217 -5.459 1.429 234 HB VAL 32 HB VAL 32 4.125 -3.140 -0.101 235 HG11 VAL 32 HG11 VAL 32 6.456 -3.650 -0.523 236 HG12 VAL 32 HG12 VAL 32 6.088 -5.380 -0.741 237 HG13 VAL 32 HG13 VAL 32 5.530 -4.180 -1.915 238 HG21 VAL 32 HG21 VAL 32 3.282 -4.786 -1.822 239 HG22 VAL 32 HG22 VAL 32 3.533 -6.087 -0.645 240 HG23 VAL 32 HG23 VAL 32 2.340 -4.802 -0.338 241 H SER 33 H SER 33 7.120 -4.157 1.486 242 HA SER 33 HA SER 33 7.062 -2.004 3.546 243 HB2 SER 33 HB2 SER 33 9.640 -2.946 2.379 244 HB3 SER 33 HB3 SER 33 9.234 -2.509 4.038 245 HG SER 33 HG SER 33 8.076 -4.568 4.140 246 H ILE 34 H ILE 34 7.645 0.114 2.971 247 HA ILE 34 HA ILE 34 7.922 0.711 0.092 248 HB ILE 34 HB ILE 34 7.751 2.952 0.519 249 HG12 ILE 34 HG12 ILE 34 7.544 3.736 3.077 250 HG13 ILE 34 HG13 ILE 34 8.699 2.434 3.325 251 HG21 ILE 34 HG21 ILE 34 5.669 1.669 0.852 252 HG22 ILE 34 HG22 ILE 34 5.955 1.663 2.608 253 HG23 ILE 34 HG23 ILE 34 5.692 3.191 1.763 254 HD11 ILE 34 HD11 ILE 34 8.999 4.784 1.375 255 HD12 ILE 34 HD12 ILE 34 9.778 4.653 2.965 256 HD13 ILE 34 HD13 ILE 34 10.233 3.543 1.665 257 H LYS 35 H LYS 35 9.761 1.187 -0.981 258 HA LYS 35 HA LYS 35 12.383 0.955 0.416 259 HB2 LYS 35 HB2 LYS 35 11.321 0.402 -2.341 260 HB3 LYS 35 HB3 LYS 35 12.931 1.074 -2.269 261 HG2 LYS 35 HG2 LYS 35 12.059 -1.418 -0.750 262 HG3 LYS 35 HG3 LYS 35 12.864 -1.411 -2.329 263 HD2 LYS 35 HD2 LYS 35 14.774 -0.118 -1.240 264 HD3 LYS 35 HD3 LYS 35 14.044 -0.485 0.325 265 HE2 LYS 35 HE2 LYS 35 14.963 -2.520 -1.757 266 HE3 LYS 35 HE3 LYS 35 15.859 -2.053 -0.310 267 HZ1 LYS 35 HZ1 LYS 35 13.997 -2.935 1.027 268 HZ2 LYS 35 HZ2 LYS 35 14.660 -4.091 0.089 269 HZ3 LYS 35 HZ3 LYS 35 13.226 -3.449 -0.330 270 H SER 36 H SER 36 10.425 3.219 -1.446 271 HA SER 36 HA SER 36 11.976 5.434 -0.373 272 HB2 SER 36 HB2 SER 36 13.274 4.670 -2.457 273 HB3 SER 36 HB3 SER 36 11.899 5.265 -3.407 274 HG SER 36 HG SER 36 13.607 6.831 -3.071 275 H GLU 37 H GLU 37 11.168 7.529 -1.267 276 HA GLU 37 HA GLU 37 8.196 7.628 -1.150 277 HB2 GLU 37 HB2 GLU 37 10.273 9.857 -1.043 278 HB3 GLU 37 HB3 GLU 37 8.531 10.043 -0.815 279 HG2 GLU 37 HG2 GLU 37 8.659 8.525 1.178 280 HG3 GLU 37 HG3 GLU 37 10.415 8.469 0.995 281 H GLY 38 H GLY 38 6.910 8.643 -2.739 282 HA2 GLY 38 HA2 GLY 38 6.358 9.587 -4.782 283 HA3 GLY 38 HA3 GLY 38 8.051 9.593 -5.288 284 H SER 39 H SER 39 6.031 8.692 -7.000 285 HA SER 39 HA SER 39 5.749 5.816 -7.032 286 HB2 SER 39 HB2 SER 39 5.128 6.215 -9.438 287 HB3 SER 39 HB3 SER 39 4.177 7.102 -8.239 288 HG SER 39 HG SER 39 4.799 8.443 -9.992 289 H CYS 40 H CYS 40 6.743 4.325 -8.406 290 HA CYS 40 HA CYS 40 9.645 4.814 -8.685 291 HB2 CYS 40 HB2 CYS 40 8.039 2.573 -8.000 292 HB3 CYS 40 HB3 CYS 40 8.826 2.161 -9.510 293 HA PRO 41 HA PRO 41 9.484 5.334 -13.119 294 HB2 PRO 41 HB2 PRO 41 12.028 4.703 -13.886 295 HB3 PRO 41 HB3 PRO 41 11.647 6.148 -12.900 296 HG2 PRO 41 HG2 PRO 41 12.604 3.435 -11.926 297 HG3 PRO 41 HG3 PRO 41 13.262 5.052 -11.512 298 HD2 PRO 41 HD2 PRO 41 11.472 3.764 -9.906 299 HD3 PRO 41 HD3 PRO 41 11.425 5.536 -10.102 300 H THR 42 H THR 42 9.672 4.190 -15.176 301 HA THR 42 HA THR 42 9.017 1.296 -14.954 302 HB THR 42 HB THR 42 8.280 1.601 -17.364 303 HG1 THR 42 HG1 THR 42 7.976 4.313 -16.680 304 HG21 THR 42 HG21 THR 42 6.739 1.378 -15.484 305 HG22 THR 42 HG22 THR 42 6.118 2.544 -16.667 306 HG23 THR 42 HG23 THR 42 6.848 3.119 -15.146 307 H GLY 43 H GLY 43 11.290 1.016 -14.427 308 HA2 GLY 43 HA2 GLY 43 12.645 -0.678 -15.964 309 HA3 GLY 43 HA3 GLY 43 13.156 0.818 -16.747 310 H ILE 44 H ILE 44 14.157 -1.396 -14.679 311 HA ILE 44 HA ILE 44 16.200 0.357 -13.476 312 HB ILE 44 HB ILE 44 14.496 0.063 -11.733 313 HG12 ILE 44 HG12 ILE 44 15.929 -0.810 -9.908 314 HG13 ILE 44 HG13 ILE 44 17.100 -1.387 -11.091 315 HG21 ILE 44 HG21 ILE 44 14.061 -2.098 -10.681 316 HG22 ILE 44 HG22 ILE 44 13.612 -2.164 -12.387 317 HG23 ILE 44 HG23 ILE 44 15.124 -2.919 -11.837 318 HD11 ILE 44 HD11 ILE 44 17.531 0.947 -11.807 319 HD12 ILE 44 HD12 ILE 44 16.250 1.528 -10.715 320 HD13 ILE 44 HD13 ILE 44 17.725 0.793 -10.055 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 -15.780 -10.097 5.813 2 H2 LYS 1 H2 LYS 1 -14.785 -11.321 5.370 3 H3 LYS 1 H3 LYS 1 -14.310 -10.246 6.506 4 HA LYS 1 HA LYS 1 -13.185 -9.766 4.461 5 HB2 LYS 1 HB2 LYS 1 -14.369 -9.158 2.438 6 HB3 LYS 1 HB3 LYS 1 -14.788 -10.792 2.945 7 HG2 LYS 1 HG2 LYS 1 -16.919 -9.814 3.973 8 HG3 LYS 1 HG3 LYS 1 -16.520 -8.292 3.178 9 HD2 LYS 1 HD2 LYS 1 -17.026 -10.965 1.777 10 HD3 LYS 1 HD3 LYS 1 -18.182 -9.660 1.983 11 HE2 LYS 1 HE2 LYS 1 -17.550 -9.106 -0.097 12 HE3 LYS 1 HE3 LYS 1 -16.319 -8.191 0.770 13 HZ1 LYS 1 HZ1 LYS 1 -14.782 -10.083 0.364 14 HZ2 LYS 1 HZ2 LYS 1 -15.378 -9.522 -1.044 15 HZ3 LYS 1 HZ3 LYS 1 -15.962 -10.904 -0.415 16 H LYS 2 H LYS 2 -12.409 -7.709 4.208 17 HA LYS 2 HA LYS 2 -14.009 -5.353 4.822 18 HB2 LYS 2 HB2 LYS 2 -12.824 -4.476 6.621 19 HB3 LYS 2 HB3 LYS 2 -13.208 -6.104 7.096 20 HG2 LYS 2 HG2 LYS 2 -10.492 -5.837 5.858 21 HG3 LYS 2 HG3 LYS 2 -10.754 -4.810 7.253 22 HD2 LYS 2 HD2 LYS 2 -9.800 -6.724 8.140 23 HD3 LYS 2 HD3 LYS 2 -11.512 -6.881 8.542 24 HE2 LYS 2 HE2 LYS 2 -11.810 -8.432 6.627 25 HE3 LYS 2 HE3 LYS 2 -10.117 -8.202 6.162 26 HZ1 LYS 2 HZ1 LYS 2 -10.381 -10.236 7.454 27 HZ2 LYS 2 HZ2 LYS 2 -11.033 -9.427 8.714 28 HZ3 LYS 2 HZ3 LYS 2 -9.472 -9.185 8.303 29 H VAL 3 H VAL 3 -12.338 -3.351 4.808 30 HA VAL 3 HA VAL 3 -10.321 -3.702 2.655 31 HB VAL 3 HB VAL 3 -12.405 -3.037 1.563 32 HG11 VAL 3 HG11 VAL 3 -13.360 -0.796 1.822 33 HG12 VAL 3 HG12 VAL 3 -13.465 -1.686 3.346 34 HG13 VAL 3 HG13 VAL 3 -12.225 -0.429 3.134 35 HG21 VAL 3 HG21 VAL 3 -11.565 -1.292 0.176 36 HG22 VAL 3 HG22 VAL 3 -10.419 -0.748 1.405 37 HG23 VAL 3 HG23 VAL 3 -10.210 -2.337 0.619 38 H CYS 4 H CYS 4 -8.762 -2.097 2.526 39 HA CYS 4 HA CYS 4 -7.852 -0.928 5.029 40 HB2 CYS 4 HB2 CYS 4 -6.835 -0.572 2.196 41 HB3 CYS 4 HB3 CYS 4 -5.981 -0.154 3.679 42 H ALA 5 H ALA 5 -9.347 0.619 5.668 43 HA ALA 5 HA ALA 5 -10.290 2.801 3.991 44 HB1 ALA 5 HB1 ALA 5 -11.215 3.685 6.094 45 HB2 ALA 5 HB2 ALA 5 -11.606 1.969 5.880 46 HB3 ALA 5 HB3 ALA 5 -10.329 2.453 7.020 47 H CYS 6 H CYS 6 -8.650 3.997 3.086 48 HA CYS 6 HA CYS 6 -6.732 5.388 4.868 49 HB2 CYS 6 HB2 CYS 6 -6.393 4.288 2.059 50 HB3 CYS 6 HB3 CYS 6 -5.267 5.399 2.805 51 HA PRO 7 HA PRO 7 -8.257 9.172 3.305 52 HB2 PRO 7 HB2 PRO 7 -6.128 10.852 3.603 53 HB3 PRO 7 HB3 PRO 7 -6.950 10.041 4.976 54 HG2 PRO 7 HG2 PRO 7 -4.430 9.137 3.560 55 HG3 PRO 7 HG3 PRO 7 -4.680 9.384 5.322 56 HD2 PRO 7 HD2 PRO 7 -4.936 6.951 4.184 57 HD3 PRO 7 HD3 PRO 7 -6.075 7.450 5.461 58 H LYS 8 H LYS 8 -8.003 10.973 1.799 59 HA LYS 8 HA LYS 8 -7.554 10.028 -0.899 60 HB2 LYS 8 HB2 LYS 8 -8.373 12.737 0.239 61 HB3 LYS 8 HB3 LYS 8 -8.372 12.386 -1.482 62 HG2 LYS 8 HG2 LYS 8 -10.120 10.977 0.566 63 HG3 LYS 8 HG3 LYS 8 -10.603 12.281 -0.526 64 HD2 LYS 8 HD2 LYS 8 -9.890 10.734 -2.469 65 HD3 LYS 8 HD3 LYS 8 -9.739 9.449 -1.268 66 HE2 LYS 8 HE2 LYS 8 -11.879 9.153 -2.190 67 HE3 LYS 8 HE3 LYS 8 -12.158 9.896 -0.612 68 HZ1 LYS 8 HZ1 LYS 8 -13.494 10.939 -2.363 69 HZ2 LYS 8 HZ2 LYS 8 -12.170 11.335 -3.223 70 HZ3 LYS 8 HZ3 LYS 8 -12.446 12.039 -1.774 71 H ILE 9 H ILE 9 -5.342 11.440 1.105 72 HA ILE 9 HA ILE 9 -4.125 13.420 -0.403 73 HB ILE 9 HB ILE 9 -2.123 12.877 1.029 74 HG12 ILE 9 HG12 ILE 9 -3.873 11.232 2.812 75 HG13 ILE 9 HG13 ILE 9 -3.063 10.399 1.488 76 HG21 ILE 9 HG21 ILE 9 -3.743 14.631 1.559 77 HG22 ILE 9 HG22 ILE 9 -4.784 13.452 2.384 78 HG23 ILE 9 HG23 ILE 9 -3.184 13.845 3.042 79 HD11 ILE 9 HD11 ILE 9 -0.878 11.137 2.270 80 HD12 ILE 9 HD12 ILE 9 -1.626 12.088 3.576 81 HD13 ILE 9 HD13 ILE 9 -1.748 10.318 3.582 82 H LEU 10 H LEU 10 -3.262 13.378 -2.319 83 HA LEU 10 HA LEU 10 -2.003 11.090 -3.596 84 HB2 LEU 10 HB2 LEU 10 -2.336 14.027 -4.280 85 HB3 LEU 10 HB3 LEU 10 -1.223 13.039 -5.195 86 HG LEU 10 HG LEU 10 -3.331 13.296 -6.332 87 HD11 LEU 10 HD11 LEU 10 -1.952 11.274 -6.714 88 HD12 LEU 10 HD12 LEU 10 -3.679 10.991 -6.980 89 HD13 LEU 10 HD13 LEU 10 -2.910 10.399 -5.496 90 HD21 LEU 10 HD21 LEU 10 -5.382 12.249 -5.642 91 HD22 LEU 10 HD22 LEU 10 -4.857 13.357 -4.361 92 HD23 LEU 10 HD23 LEU 10 -4.624 11.602 -4.177 93 H LYS 11 H LYS 11 -0.466 10.440 -2.045 94 HA LYS 11 HA LYS 11 2.187 11.720 -2.497 95 HB2 LYS 11 HB2 LYS 11 0.994 11.013 0.203 96 HB3 LYS 11 HB3 LYS 11 2.731 10.973 -0.094 97 HG2 LYS 11 HG2 LYS 11 2.586 13.360 -0.935 98 HG3 LYS 11 HG3 LYS 11 0.938 13.416 -0.290 99 HD2 LYS 11 HD2 LYS 11 3.438 12.721 1.332 100 HD3 LYS 11 HD3 LYS 11 2.738 14.339 1.231 101 HE2 LYS 11 HE2 LYS 11 0.651 13.579 2.242 102 HE3 LYS 11 HE3 LYS 11 1.218 11.900 2.245 103 HZ1 LYS 11 HZ1 LYS 11 2.507 14.099 3.774 104 HZ2 LYS 11 HZ2 LYS 11 2.954 12.530 3.806 105 HZ3 LYS 11 HZ3 LYS 11 1.511 12.979 4.422 106 HA PRO 12 HA PRO 12 1.907 7.204 -3.462 107 HB2 PRO 12 HB2 PRO 12 3.264 7.249 -5.876 108 HB3 PRO 12 HB3 PRO 12 1.504 7.518 -5.700 109 HG2 PRO 12 HG2 PRO 12 3.699 9.597 -5.899 110 HG3 PRO 12 HG3 PRO 12 2.142 9.537 -6.787 111 HD2 PRO 12 HD2 PRO 12 2.451 11.079 -4.579 112 HD3 PRO 12 HD3 PRO 12 0.920 10.198 -4.869 113 H VAL 13 H VAL 13 3.610 5.643 -3.695 114 HA VAL 13 HA VAL 13 6.321 6.364 -2.729 115 HB VAL 13 HB VAL 13 6.086 4.778 -0.833 116 HG11 VAL 13 HG11 VAL 13 5.747 7.256 -0.498 117 HG12 VAL 13 HG12 VAL 13 4.000 6.974 -0.595 118 HG13 VAL 13 HG13 VAL 13 4.949 6.227 0.698 119 HG21 VAL 13 HG21 VAL 13 4.199 3.400 -1.533 120 HG22 VAL 13 HG22 VAL 13 3.792 4.195 -0.006 121 HG23 VAL 13 HG23 VAL 13 3.101 4.799 -1.510 122 H CYS 14 H CYS 14 7.823 4.549 -2.782 123 HA CYS 14 HA CYS 14 7.056 2.543 -4.867 124 HB2 CYS 14 HB2 CYS 14 8.905 3.963 -5.495 125 HB3 CYS 14 HB3 CYS 14 9.790 3.540 -4.024 126 H GLY 15 H GLY 15 6.473 0.645 -4.164 127 HA2 GLY 15 HA2 GLY 15 7.129 -0.561 -1.596 128 HA3 GLY 15 HA3 GLY 15 6.352 -1.325 -2.976 129 H SER 16 H SER 16 8.227 -2.556 -1.281 130 HA SER 16 HA SER 16 10.823 -2.781 -2.313 131 HB2 SER 16 HB2 SER 16 9.901 -3.690 -0.150 132 HB3 SER 16 HB3 SER 16 9.233 -5.047 -1.076 133 HG SER 16 HG SER 16 11.281 -5.574 -0.244 134 H ASP 17 H ASP 17 7.897 -4.221 -3.580 135 HA ASP 17 HA ASP 17 9.267 -6.014 -5.490 136 HB2 ASP 17 HB2 ASP 17 6.366 -5.170 -5.136 137 HB3 ASP 17 HB3 ASP 17 6.912 -6.245 -6.420 138 H GLY 18 H GLY 18 8.655 -2.672 -5.418 139 HA2 GLY 18 HA2 GLY 18 9.568 -1.150 -6.988 140 HA3 GLY 18 HA3 GLY 18 9.375 -2.337 -8.284 141 H ARG 19 H ARG 19 6.612 -2.553 -6.691 142 HA ARG 19 HA ARG 19 4.987 -1.113 -8.595 143 HB2 ARG 19 HB2 ARG 19 4.568 -3.324 -7.381 144 HB3 ARG 19 HB3 ARG 19 4.180 -2.382 -5.952 145 HG2 ARG 19 HG2 ARG 19 2.259 -1.361 -7.077 146 HG3 ARG 19 HG3 ARG 19 2.724 -2.081 -8.628 147 HD2 ARG 19 HD2 ARG 19 1.909 -3.640 -6.141 148 HD3 ARG 19 HD3 ARG 19 0.829 -3.241 -7.489 149 HE ARG 19 HE ARG 19 3.019 -4.553 -8.648 150 HH11 ARG 19 HH11 ARG 19 0.501 -5.460 -6.402 151 HH12 ARG 19 HH12 ARG 19 0.611 -7.149 -6.814 152 HH21 ARG 19 HH21 ARG 19 3.134 -6.713 -9.119 153 HH22 ARG 19 HH22 ARG 19 2.066 -7.828 -8.322 154 H THR 20 H THR 20 3.473 0.391 -8.134 155 HA THR 20 HA THR 20 4.056 2.464 -6.026 156 HB THR 20 HB THR 20 2.990 2.750 -8.859 157 HG1 THR 20 HG1 THR 20 4.888 3.556 -9.298 158 HG21 THR 20 HG21 THR 20 1.856 4.426 -7.429 159 HG22 THR 20 HG22 THR 20 3.011 5.169 -8.521 160 HG23 THR 20 HG23 THR 20 3.435 4.952 -6.799 161 H TYR 21 H TYR 21 2.472 3.094 -4.698 162 HA TYR 21 HA TYR 21 -0.364 2.415 -5.276 163 HB2 TYR 21 HB2 TYR 21 0.597 2.468 -2.450 164 HB3 TYR 21 HB3 TYR 21 -0.675 1.527 -3.225 165 HD1 TYR 21 HD2 TYR 21 2.939 1.755 -2.521 166 HD2 TYR 21 HD1 TYR 21 -0.215 -0.709 -4.125 167 HE1 TYR 21 HE2 TYR 21 4.465 -0.185 -2.505 168 HE2 TYR 21 HE1 TYR 21 1.335 -2.673 -4.116 169 HH TYR 21 HH TYR 21 4.689 -2.444 -2.923 170 H ALA 22 H ALA 22 -1.829 3.716 -3.688 171 HA ALA 22 HA ALA 22 -1.633 6.446 -4.341 172 HB1 ALA 22 HB1 ALA 22 -3.264 5.124 -2.123 173 HB2 ALA 22 HB2 ALA 22 -3.576 6.705 -2.861 174 HB3 ALA 22 HB3 ALA 22 -3.731 5.233 -3.837 175 H ASN 23 H ASN 23 -0.893 4.936 -1.164 176 HA ASN 23 HA ASN 23 1.074 6.935 -0.522 177 HB2 ASN 23 HB2 ASN 23 0.002 7.916 1.406 178 HB3 ASN 23 HB3 ASN 23 -1.070 8.134 0.043 179 HD21 ASN 23 HD21 ASN 23 -2.113 8.454 2.489 180 HD22 ASN 23 HD22 ASN 23 -3.164 7.088 2.852 181 H SER 24 H SER 24 1.539 6.613 2.080 182 HA SER 24 HA SER 24 2.653 4.010 2.355 183 HB2 SER 24 HB2 SER 24 3.049 4.703 4.725 184 HB3 SER 24 HB3 SER 24 3.596 5.898 3.532 185 HG SER 24 HG SER 24 2.376 6.826 5.290 186 H CYS 25 H CYS 25 -0.383 5.333 3.606 187 HA CYS 25 HA CYS 25 -1.095 3.307 5.442 188 HB2 CYS 25 HB2 CYS 25 -2.210 5.452 5.347 189 HB3 CYS 25 HB3 CYS 25 -2.814 5.130 3.725 190 H ILE 26 H ILE 26 -1.811 3.512 1.916 191 HA ILE 26 HA ILE 26 -3.285 1.011 1.976 192 HB ILE 26 HB ILE 26 -3.515 3.056 0.327 193 HG12 ILE 26 HG12 ILE 26 -4.165 1.289 -1.514 194 HG13 ILE 26 HG13 ILE 26 -3.652 0.095 -0.313 195 HG21 ILE 26 HG21 ILE 26 -2.506 2.819 -1.814 196 HG22 ILE 26 HG22 ILE 26 -1.301 3.136 -0.572 197 HG23 ILE 26 HG23 ILE 26 -1.492 1.484 -1.226 198 HD11 ILE 26 HD11 ILE 26 -5.370 1.028 1.278 199 HD12 ILE 26 HD12 ILE 26 -5.859 2.188 0.031 200 HD13 ILE 26 HD13 ILE 26 -6.099 0.448 -0.234 201 H ALA 27 H ALA 27 -0.097 2.061 0.954 202 HA ALA 27 HA ALA 27 0.866 -0.307 -0.104 203 HB1 ALA 27 HB1 ALA 27 3.124 0.601 0.259 204 HB2 ALA 27 HB2 ALA 27 2.010 1.878 -0.267 205 HB3 ALA 27 HB3 ALA 27 2.487 1.766 1.438 206 H ARG 28 H ARG 28 1.204 0.764 3.261 207 HA ARG 28 HA ARG 28 2.449 -1.557 4.406 208 HB2 ARG 28 HB2 ARG 28 0.577 0.517 5.639 209 HB3 ARG 28 HB3 ARG 28 1.512 -0.653 6.560 210 HG2 ARG 28 HG2 ARG 28 3.232 0.883 4.716 211 HG3 ARG 28 HG3 ARG 28 2.309 1.947 5.771 212 HD2 ARG 28 HD2 ARG 28 3.969 -0.387 6.798 213 HD3 ARG 28 HD3 ARG 28 4.587 1.262 6.602 214 HE ARG 28 HE ARG 28 2.179 1.363 8.142 215 HH11 ARG 28 HH11 ARG 28 5.501 0.374 8.572 216 HH12 ARG 28 HH12 ARG 28 5.488 0.735 10.277 217 HH21 ARG 28 HH21 ARG 28 2.213 1.805 10.310 218 HH22 ARG 28 HH22 ARG 28 3.661 1.521 11.227 219 H CYS 29 H CYS 29 -0.993 -0.798 3.867 220 HA CYS 29 HA CYS 29 -1.953 -3.103 5.371 221 HB2 CYS 29 HB2 CYS 29 -3.107 -0.899 5.099 222 HB3 CYS 29 HB3 CYS 29 -3.410 -1.295 3.412 223 H ASN 30 H ASN 30 -1.081 -2.497 2.027 224 HA ASN 30 HA ASN 30 -2.171 -4.871 0.841 225 HB2 ASN 30 HB2 ASN 30 -0.701 -2.543 0.007 226 HB3 ASN 30 HB3 ASN 30 0.260 -3.913 -0.455 227 HD21 ASN 30 HD21 ASN 30 -2.921 -2.389 -0.785 228 HD22 ASN 30 HD22 ASN 30 -3.323 -3.226 -2.282 229 H GLY 31 H GLY 31 0.379 -4.637 3.097 230 HA2 GLY 31 HA2 GLY 31 1.455 -6.483 4.075 231 HA3 GLY 31 HA3 GLY 31 1.101 -7.470 2.665 232 H VAL 32 H VAL 32 2.598 -4.371 2.075 233 HA VAL 32 HA VAL 32 5.261 -5.639 1.588 234 HB VAL 32 HB VAL 32 4.870 -3.486 -0.248 235 HG11 VAL 32 HG11 VAL 32 6.390 -5.411 -0.521 236 HG12 VAL 32 HG12 VAL 32 4.987 -6.487 -0.718 237 HG13 VAL 32 HG13 VAL 32 5.318 -5.219 -1.917 238 HG21 VAL 32 HG21 VAL 32 2.601 -5.505 -0.452 239 HG22 VAL 32 HG22 VAL 32 2.475 -3.741 -0.185 240 HG23 VAL 32 HG23 VAL 32 3.087 -4.376 -1.713 241 H SER 33 H SER 33 7.089 -4.245 1.599 242 HA SER 33 HA SER 33 6.815 -1.960 3.495 243 HB2 SER 33 HB2 SER 33 9.457 -3.077 2.579 244 HB3 SER 33 HB3 SER 33 9.024 -2.314 4.111 245 HG SER 33 HG SER 33 7.739 -4.271 4.528 246 H ILE 34 H ILE 34 7.609 0.102 2.911 247 HA ILE 34 HA ILE 34 8.124 0.517 0.003 248 HB ILE 34 HB ILE 34 7.807 2.863 0.344 249 HG12 ILE 34 HG12 ILE 34 7.000 2.304 3.233 250 HG13 ILE 34 HG13 ILE 34 8.541 3.024 2.755 251 HG21 ILE 34 HG21 ILE 34 5.937 1.358 -0.248 252 HG22 ILE 34 HG22 ILE 34 5.526 1.171 1.472 253 HG23 ILE 34 HG23 ILE 34 5.374 2.741 0.685 254 HD11 ILE 34 HD11 ILE 34 5.797 4.246 2.302 255 HD12 ILE 34 HD12 ILE 34 7.072 4.803 3.393 256 HD13 ILE 34 HD13 ILE 34 7.317 4.895 1.638 257 H LYS 35 H LYS 35 9.933 1.137 -0.843 258 HA LYS 35 HA LYS 35 12.417 1.166 0.812 259 HB2 LYS 35 HB2 LYS 35 11.720 0.475 -1.971 260 HB3 LYS 35 HB3 LYS 35 13.055 1.611 -1.915 261 HG2 LYS 35 HG2 LYS 35 13.891 -0.654 -1.927 262 HG3 LYS 35 HG3 LYS 35 14.320 0.147 -0.411 263 HD2 LYS 35 HD2 LYS 35 12.596 -1.104 0.804 264 HD3 LYS 35 HD3 LYS 35 11.920 -1.707 -0.705 265 HE2 LYS 35 HE2 LYS 35 13.183 -3.487 0.289 266 HE3 LYS 35 HE3 LYS 35 14.026 -2.953 -1.164 267 HZ1 LYS 35 HZ1 LYS 35 14.756 -2.169 1.614 268 HZ2 LYS 35 HZ2 LYS 35 15.557 -1.696 0.268 269 HZ3 LYS 35 HZ3 LYS 35 15.551 -3.265 0.707 270 H SER 36 H SER 36 10.465 3.375 -1.103 271 HA SER 36 HA SER 36 11.560 5.632 0.325 272 HB2 SER 36 HB2 SER 36 13.257 5.160 -1.610 273 HB3 SER 36 HB3 SER 36 11.992 5.792 -2.674 274 HG SER 36 HG SER 36 13.421 7.078 -0.572 275 H GLU 37 H GLU 37 10.721 7.714 -0.729 276 HA GLU 37 HA GLU 37 7.798 7.515 -1.163 277 HB2 GLU 37 HB2 GLU 37 7.764 9.923 -0.795 278 HB3 GLU 37 HB3 GLU 37 8.559 9.086 0.535 279 HG2 GLU 37 HG2 GLU 37 10.785 9.729 -0.388 280 HG3 GLU 37 HG3 GLU 37 9.988 10.565 -1.723 281 H GLY 38 H GLY 38 6.747 8.785 -2.846 282 HA2 GLY 38 HA2 GLY 38 6.502 9.660 -4.974 283 HA3 GLY 38 HA3 GLY 38 8.228 9.464 -5.301 284 H SER 39 H SER 39 6.131 8.667 -7.083 285 HA SER 39 HA SER 39 5.807 5.787 -7.088 286 HB2 SER 39 HB2 SER 39 5.322 6.206 -9.553 287 HB3 SER 39 HB3 SER 39 4.268 6.972 -8.366 288 HG SER 39 HG SER 39 4.876 8.435 -10.025 289 H CYS 40 H CYS 40 6.945 4.247 -8.183 290 HA CYS 40 HA CYS 40 9.816 4.817 -8.389 291 HB2 CYS 40 HB2 CYS 40 8.214 2.545 -7.763 292 HB3 CYS 40 HB3 CYS 40 9.129 2.125 -9.195 293 HA PRO 41 HA PRO 41 9.962 5.190 -12.836 294 HB2 PRO 41 HB2 PRO 41 12.533 4.458 -13.423 295 HB3 PRO 41 HB3 PRO 41 12.125 5.964 -12.550 296 HG2 PRO 41 HG2 PRO 41 12.982 3.304 -11.365 297 HG3 PRO 41 HG3 PRO 41 13.624 4.937 -10.997 298 HD2 PRO 41 HD2 PRO 41 11.726 3.745 -9.442 299 HD3 PRO 41 HD3 PRO 41 11.705 5.503 -9.732 300 H THR 42 H THR 42 9.735 3.982 -14.717 301 HA THR 42 HA THR 42 9.103 1.180 -14.458 302 HB THR 42 HB THR 42 9.300 2.615 -17.112 303 HG1 THR 42 HG1 THR 42 7.250 3.486 -16.686 304 HG21 THR 42 HG21 THR 42 7.248 0.687 -15.916 305 HG22 THR 42 HG22 THR 42 8.467 0.275 -17.142 306 HG23 THR 42 HG23 THR 42 7.165 1.398 -17.541 307 H GLY 43 H GLY 43 11.980 2.714 -15.072 308 HA2 GLY 43 HA2 GLY 43 13.755 0.624 -15.131 309 HA3 GLY 43 HA3 GLY 43 13.344 0.839 -16.843 310 H ILE 44 H ILE 44 15.912 1.317 -15.463 311 HA ILE 44 HA ILE 44 16.449 4.076 -16.355 312 HB ILE 44 HB ILE 44 15.866 4.182 -13.937 313 HG12 ILE 44 HG12 ILE 44 17.874 5.453 -13.167 314 HG13 ILE 44 HG13 ILE 44 18.733 4.951 -14.621 315 HG21 ILE 44 HG21 ILE 44 18.421 2.596 -13.458 316 HG22 ILE 44 HG22 ILE 44 17.362 3.312 -12.231 317 HG23 ILE 44 HG23 ILE 44 16.772 1.977 -13.227 318 HD11 ILE 44 HD11 ILE 44 16.132 6.561 -14.551 319 HD12 ILE 44 HD12 ILE 44 17.756 7.234 -14.796 320 HD13 ILE 44 HD13 ILE 44 17.061 6.156 -16.015 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 -12.651 -9.015 -2.004 2 H2 LYS 1 H2 LYS 1 -12.077 -9.208 -3.514 3 H3 LYS 1 H3 LYS 1 -11.049 -8.802 -2.327 4 HA LYS 1 HA LYS 1 -11.447 -6.895 -3.664 5 HB2 LYS 1 HB2 LYS 1 -13.631 -5.995 -4.093 6 HB3 LYS 1 HB3 LYS 1 -13.534 -7.649 -4.663 7 HG2 LYS 1 HG2 LYS 1 -14.854 -8.443 -2.740 8 HG3 LYS 1 HG3 LYS 1 -14.873 -6.811 -2.044 9 HD2 LYS 1 HD2 LYS 1 -16.052 -5.955 -4.039 10 HD3 LYS 1 HD3 LYS 1 -16.068 -7.568 -4.754 11 HE2 LYS 1 HE2 LYS 1 -17.345 -6.874 -2.068 12 HE3 LYS 1 HE3 LYS 1 -18.207 -6.788 -3.604 13 HZ1 LYS 1 HZ1 LYS 1 -17.002 -9.265 -2.492 14 HZ2 LYS 1 HZ2 LYS 1 -17.785 -9.161 -3.923 15 HZ3 LYS 1 HZ3 LYS 1 -18.592 -8.916 -2.531 16 H LYS 2 H LYS 2 -11.540 -7.641 -0.424 17 HA LYS 2 HA LYS 2 -12.622 -5.181 0.650 18 HB2 LYS 2 HB2 LYS 2 -12.698 -7.412 1.734 19 HB3 LYS 2 HB3 LYS 2 -10.951 -7.346 1.992 20 HG2 LYS 2 HG2 LYS 2 -11.179 -5.374 3.408 21 HG3 LYS 2 HG3 LYS 2 -12.897 -5.222 3.021 22 HD2 LYS 2 HD2 LYS 2 -11.656 -7.585 4.500 23 HD3 LYS 2 HD3 LYS 2 -12.433 -6.196 5.274 24 HE2 LYS 2 HE2 LYS 2 -14.560 -6.720 4.079 25 HE3 LYS 2 HE3 LYS 2 -13.799 -8.144 3.362 26 HZ1 LYS 2 HZ1 LYS 2 -15.051 -8.733 5.351 27 HZ2 LYS 2 HZ2 LYS 2 -14.181 -7.709 6.274 28 HZ3 LYS 2 HZ3 LYS 2 -13.467 -9.020 5.613 29 H VAL 3 H VAL 3 -11.620 -3.355 0.118 30 HA VAL 3 HA VAL 3 -8.668 -3.038 0.164 31 HB VAL 3 HB VAL 3 -10.799 -0.951 -0.445 32 HG11 VAL 3 HG11 VAL 3 -8.619 0.071 0.010 33 HG12 VAL 3 HG12 VAL 3 -7.822 -1.067 -1.107 34 HG13 VAL 3 HG13 VAL 3 -8.958 0.158 -1.709 35 HG21 VAL 3 HG21 VAL 3 -9.300 -2.794 -2.362 36 HG22 VAL 3 HG22 VAL 3 -11.057 -2.747 -2.088 37 HG23 VAL 3 HG23 VAL 3 -10.258 -1.381 -2.852 38 H CYS 4 H CYS 4 -7.571 -1.632 1.559 39 HA CYS 4 HA CYS 4 -8.608 -1.210 4.231 40 HB2 CYS 4 HB2 CYS 4 -6.053 -1.006 2.867 41 HB3 CYS 4 HB3 CYS 4 -6.344 0.467 3.767 42 H ALA 5 H ALA 5 -9.473 0.565 5.192 43 HA ALA 5 HA ALA 5 -10.336 2.885 3.649 44 HB1 ALA 5 HB1 ALA 5 -11.724 1.942 5.434 45 HB2 ALA 5 HB2 ALA 5 -10.454 2.273 6.633 46 HB3 ALA 5 HB3 ALA 5 -11.273 3.616 5.804 47 H CYS 6 H CYS 6 -8.621 4.081 2.886 48 HA CYS 6 HA CYS 6 -6.790 5.357 4.836 49 HB2 CYS 6 HB2 CYS 6 -6.280 4.375 2.009 50 HB3 CYS 6 HB3 CYS 6 -5.221 5.490 2.846 51 HA PRO 7 HA PRO 7 -8.308 9.174 3.263 52 HB2 PRO 7 HB2 PRO 7 -6.219 10.880 3.676 53 HB3 PRO 7 HB3 PRO 7 -7.108 10.067 5.006 54 HG2 PRO 7 HG2 PRO 7 -4.499 9.184 3.740 55 HG3 PRO 7 HG3 PRO 7 -4.853 9.432 5.483 56 HD2 PRO 7 HD2 PRO 7 -5.014 6.992 4.336 57 HD3 PRO 7 HD3 PRO 7 -6.234 7.474 5.543 58 H LYS 8 H LYS 8 -8.077 10.898 1.691 59 HA LYS 8 HA LYS 8 -7.332 9.860 -0.913 60 HB2 LYS 8 HB2 LYS 8 -8.518 12.531 -0.042 61 HB3 LYS 8 HB3 LYS 8 -8.297 12.053 -1.728 62 HG2 LYS 8 HG2 LYS 8 -9.659 9.942 -1.143 63 HG3 LYS 8 HG3 LYS 8 -10.182 10.821 0.296 64 HD2 LYS 8 HD2 LYS 8 -10.499 11.745 -2.601 65 HD3 LYS 8 HD3 LYS 8 -11.762 10.951 -1.683 66 HE2 LYS 8 HE2 LYS 8 -10.522 13.604 -0.832 67 HE3 LYS 8 HE3 LYS 8 -11.897 13.490 -1.925 68 HZ1 LYS 8 HZ1 LYS 8 -11.895 12.432 0.847 69 HZ2 LYS 8 HZ2 LYS 8 -13.150 12.355 -0.197 70 HZ3 LYS 8 HZ3 LYS 8 -12.639 13.795 0.354 71 H ILE 9 H ILE 9 -5.433 11.529 1.184 72 HA ILE 9 HA ILE 9 -4.187 13.513 -0.249 73 HB ILE 9 HB ILE 9 -2.237 13.053 1.273 74 HG12 ILE 9 HG12 ILE 9 -3.995 11.286 2.929 75 HG13 ILE 9 HG13 ILE 9 -3.047 10.536 1.656 76 HG21 ILE 9 HG21 ILE 9 -4.979 13.506 2.504 77 HG22 ILE 9 HG22 ILE 9 -3.429 13.971 3.234 78 HG23 ILE 9 HG23 ILE 9 -3.955 14.730 1.727 79 HD11 ILE 9 HD11 ILE 9 -0.963 11.404 2.605 80 HD12 ILE 9 HD12 ILE 9 -1.867 12.243 3.884 81 HD13 ILE 9 HD13 ILE 9 -1.862 10.473 3.813 82 H LEU 10 H LEU 10 -3.241 13.516 -2.098 83 HA LEU 10 HA LEU 10 -2.147 11.201 -3.440 84 HB2 LEU 10 HB2 LEU 10 -2.150 14.169 -4.094 85 HB3 LEU 10 HB3 LEU 10 -1.579 12.925 -5.201 86 HG LEU 10 HG LEU 10 -4.437 13.092 -4.134 87 HD11 LEU 10 HD11 LEU 10 -4.997 13.970 -6.351 88 HD12 LEU 10 HD12 LEU 10 -3.286 13.911 -6.831 89 HD13 LEU 10 HD13 LEU 10 -3.819 15.022 -5.554 90 HD21 LEU 10 HD21 LEU 10 -4.961 11.552 -6.001 91 HD22 LEU 10 HD22 LEU 10 -3.846 10.798 -4.860 92 HD23 LEU 10 HD23 LEU 10 -3.235 11.436 -6.405 93 H LYS 11 H LYS 11 -0.522 10.466 -2.033 94 HA LYS 11 HA LYS 11 2.132 11.784 -2.406 95 HB2 LYS 11 HB2 LYS 11 1.004 12.472 -0.203 96 HB3 LYS 11 HB3 LYS 11 1.298 10.846 0.366 97 HG2 LYS 11 HG2 LYS 11 3.410 12.802 -0.676 98 HG3 LYS 11 HG3 LYS 11 2.991 12.618 1.012 99 HD2 LYS 11 HD2 LYS 11 4.303 10.496 -0.735 100 HD3 LYS 11 HD3 LYS 11 5.107 11.497 0.452 101 HE2 LYS 11 HE2 LYS 11 2.910 9.482 1.100 102 HE3 LYS 11 HE3 LYS 11 4.638 9.165 1.226 103 HZ1 LYS 11 HZ1 LYS 11 3.732 9.807 3.375 104 HZ2 LYS 11 HZ2 LYS 11 3.186 11.230 2.798 105 HZ3 LYS 11 HZ3 LYS 11 4.793 10.944 2.888 106 HA PRO 12 HA PRO 12 1.903 7.240 -3.265 107 HB2 PRO 12 HB2 PRO 12 3.420 7.207 -5.578 108 HB3 PRO 12 HB3 PRO 12 1.664 7.539 -5.526 109 HG2 PRO 12 HG2 PRO 12 3.942 9.533 -5.599 110 HG3 PRO 12 HG3 PRO 12 2.449 9.517 -6.590 111 HD2 PRO 12 HD2 PRO 12 2.668 11.077 -4.387 112 HD3 PRO 12 HD3 PRO 12 1.127 10.252 -4.766 113 H VAL 13 H VAL 13 3.589 5.610 -3.512 114 HA VAL 13 HA VAL 13 6.297 6.241 -2.506 115 HB VAL 13 HB VAL 13 6.072 4.559 -0.696 116 HG11 VAL 13 HG11 VAL 13 5.809 6.990 -0.195 117 HG12 VAL 13 HG12 VAL 13 4.048 6.801 -0.332 118 HG13 VAL 13 HG13 VAL 13 4.939 5.934 0.930 119 HG21 VAL 13 HG21 VAL 13 3.782 3.944 0.122 120 HG22 VAL 13 HG22 VAL 13 3.080 4.647 -1.337 121 HG23 VAL 13 HG23 VAL 13 4.164 3.242 -1.453 122 H CYS 14 H CYS 14 7.790 4.503 -2.778 123 HA CYS 14 HA CYS 14 6.968 2.526 -4.858 124 HB2 CYS 14 HB2 CYS 14 8.851 3.924 -5.463 125 HB3 CYS 14 HB3 CYS 14 9.724 3.456 -3.996 126 H GLY 15 H GLY 15 6.354 0.637 -4.150 127 HA2 GLY 15 HA2 GLY 15 6.952 -0.551 -1.580 128 HA3 GLY 15 HA3 GLY 15 6.225 -1.348 -2.971 129 H SER 16 H SER 16 7.984 -2.596 -1.250 130 HA SER 16 HA SER 16 10.656 -2.798 -2.114 131 HB2 SER 16 HB2 SER 16 9.692 -3.751 -0.055 132 HB3 SER 16 HB3 SER 16 8.927 -5.034 -1.011 133 HG SER 16 HG SER 16 11.013 -5.574 -0.056 134 H ASP 17 H ASP 17 7.797 -4.196 -3.575 135 HA ASP 17 HA ASP 17 9.230 -5.945 -5.474 136 HB2 ASP 17 HB2 ASP 17 6.328 -5.075 -5.201 137 HB3 ASP 17 HB3 ASP 17 6.898 -6.145 -6.477 138 H GLY 18 H GLY 18 8.546 -2.595 -5.380 139 HA2 GLY 18 HA2 GLY 18 9.434 -1.028 -6.925 140 HA3 GLY 18 HA3 GLY 18 9.318 -2.215 -8.228 141 H ARG 19 H ARG 19 6.515 -2.506 -6.649 142 HA ARG 19 HA ARG 19 4.852 -1.112 -8.547 143 HB2 ARG 19 HB2 ARG 19 4.446 -3.245 -7.086 144 HB3 ARG 19 HB3 ARG 19 4.018 -2.110 -5.807 145 HG2 ARG 19 HG2 ARG 19 2.234 -1.162 -7.369 146 HG3 ARG 19 HG3 ARG 19 2.696 -2.400 -8.545 147 HD2 ARG 19 HD2 ARG 19 2.248 -3.767 -6.074 148 HD3 ARG 19 HD3 ARG 19 0.976 -2.566 -6.188 149 HE ARG 19 HE ARG 19 0.159 -3.562 -8.195 150 HH11 ARG 19 HH11 ARG 19 2.826 -5.421 -6.924 151 HH12 ARG 19 HH12 ARG 19 2.403 -6.844 -7.834 152 HH21 ARG 19 HH21 ARG 19 -0.346 -5.397 -9.331 153 HH22 ARG 19 HH22 ARG 19 0.642 -6.817 -9.169 154 H THR 20 H THR 20 3.386 0.492 -8.106 155 HA THR 20 HA THR 20 4.028 2.536 -5.991 156 HB THR 20 HB THR 20 2.927 2.929 -8.800 157 HG1 THR 20 HG1 THR 20 5.115 2.684 -8.792 158 HG21 THR 20 HG21 THR 20 3.493 5.039 -6.679 159 HG22 THR 20 HG22 THR 20 1.877 4.565 -7.254 160 HG23 THR 20 HG23 THR 20 2.999 5.319 -8.371 161 H TYR 21 H TYR 21 2.411 3.153 -4.658 162 HA TYR 21 HA TYR 21 -0.402 2.428 -5.277 163 HB2 TYR 21 HB2 TYR 21 0.578 2.509 -2.450 164 HB3 TYR 21 HB3 TYR 21 -0.745 1.613 -3.195 165 HD1 TYR 21 HD2 TYR 21 2.917 1.704 -2.639 166 HD2 TYR 21 HD1 TYR 21 -0.443 -0.674 -3.927 167 HE1 TYR 21 HE2 TYR 21 4.331 -0.318 -2.567 168 HE2 TYR 21 HE1 TYR 21 0.992 -2.721 -3.842 169 HH TYR 21 HH TYR 21 4.447 -2.590 -2.953 170 H ALA 22 H ALA 22 -1.899 3.720 -3.681 171 HA ALA 22 HA ALA 22 -1.748 6.461 -4.330 172 HB1 ALA 22 HB1 ALA 22 -3.667 6.681 -2.820 173 HB2 ALA 22 HB2 ALA 22 -3.819 5.207 -3.792 174 HB3 ALA 22 HB3 ALA 22 -3.315 5.103 -2.089 175 H ASN 23 H ASN 23 -0.976 4.953 -1.138 176 HA ASN 23 HA ASN 23 1.048 6.917 -0.594 177 HB2 ASN 23 HB2 ASN 23 0.034 7.953 1.342 178 HB3 ASN 23 HB3 ASN 23 -1.070 8.159 0.001 179 HD21 ASN 23 HD21 ASN 23 -2.004 8.526 2.500 180 HD22 ASN 23 HD22 ASN 23 -3.093 7.208 2.907 181 H SER 24 H SER 24 1.536 6.656 2.034 182 HA SER 24 HA SER 24 2.672 4.057 2.309 183 HB2 SER 24 HB2 SER 24 3.106 4.833 4.676 184 HB3 SER 24 HB3 SER 24 3.718 5.903 3.402 185 HG SER 24 HG SER 24 2.550 6.968 5.159 186 H CYS 25 H CYS 25 -0.359 5.387 3.548 187 HA CYS 25 HA CYS 25 -1.032 3.389 5.455 188 HB2 CYS 25 HB2 CYS 25 -2.175 5.503 5.369 189 HB3 CYS 25 HB3 CYS 25 -2.761 5.199 3.738 190 H ILE 26 H ILE 26 -1.718 3.503 1.917 191 HA ILE 26 HA ILE 26 -3.211 1.006 2.065 192 HB ILE 26 HB ILE 26 -3.501 3.016 0.395 193 HG12 ILE 26 HG12 ILE 26 -4.237 1.297 -1.398 194 HG13 ILE 26 HG13 ILE 26 -3.600 0.065 -0.296 195 HG21 ILE 26 HG21 ILE 26 -1.506 1.420 -1.184 196 HG22 ILE 26 HG22 ILE 26 -2.501 2.773 -1.763 197 HG23 ILE 26 HG23 ILE 26 -1.272 3.064 -0.540 198 HD11 ILE 26 HD11 ILE 26 -5.241 0.842 1.454 199 HD12 ILE 26 HD12 ILE 26 -5.847 2.059 0.311 200 HD13 ILE 26 HD13 ILE 26 -6.047 0.330 -0.033 201 H ALA 27 H ALA 27 -0.059 2.035 0.997 202 HA ALA 27 HA ALA 27 0.949 -0.361 -0.007 203 HB1 ALA 27 HB1 ALA 27 3.186 0.594 0.356 204 HB2 ALA 27 HB2 ALA 27 2.060 1.842 -0.216 205 HB3 ALA 27 HB3 ALA 27 2.518 1.775 1.501 206 H ARG 28 H ARG 28 1.199 0.818 3.339 207 HA ARG 28 HA ARG 28 2.483 -1.424 4.572 208 HB2 ARG 28 HB2 ARG 28 0.514 0.644 5.651 209 HB3 ARG 28 HB3 ARG 28 1.368 -0.502 6.671 210 HG2 ARG 28 HG2 ARG 28 3.169 1.056 4.878 211 HG3 ARG 28 HG3 ARG 28 2.241 2.058 5.985 212 HD2 ARG 28 HD2 ARG 28 3.880 -0.341 6.891 213 HD3 ARG 28 HD3 ARG 28 4.508 1.316 6.813 214 HE ARG 28 HE ARG 28 2.122 1.455 8.299 215 HH11 ARG 28 HH11 ARG 28 5.268 0.011 8.773 216 HH12 ARG 28 HH12 ARG 28 5.170 0.147 10.509 217 HH21 ARG 28 HH21 ARG 28 2.052 1.610 10.499 218 HH22 ARG 28 HH22 ARG 28 3.385 1.034 11.451 219 H CYS 29 H CYS 29 -0.970 -0.815 3.915 220 HA CYS 29 HA CYS 29 -1.895 -3.125 5.439 221 HB2 CYS 29 HB2 CYS 29 -3.185 -1.058 5.151 222 HB3 CYS 29 HB3 CYS 29 -3.290 -1.335 3.413 223 H ASN 30 H ASN 30 -0.988 -2.527 2.094 224 HA ASN 30 HA ASN 30 -2.008 -4.931 0.927 225 HB2 ASN 30 HB2 ASN 30 -0.580 -2.573 0.088 226 HB3 ASN 30 HB3 ASN 30 0.382 -3.931 -0.397 227 HD21 ASN 30 HD21 ASN 30 -2.929 -2.592 -0.538 228 HD22 ASN 30 HD22 ASN 30 -3.306 -3.348 -2.082 229 H GLY 31 H GLY 31 0.430 -4.706 3.245 230 HA2 GLY 31 HA2 GLY 31 1.502 -6.533 4.235 231 HA3 GLY 31 HA3 GLY 31 1.193 -7.515 2.809 232 H VAL 32 H VAL 32 2.715 -4.407 2.311 233 HA VAL 32 HA VAL 32 5.378 -5.684 1.879 234 HB VAL 32 HB VAL 32 4.974 -3.566 -0.022 235 HG11 VAL 32 HG11 VAL 32 5.540 -5.307 -1.643 236 HG12 VAL 32 HG12 VAL 32 6.588 -5.414 -0.221 237 HG13 VAL 32 HG13 VAL 32 5.247 -6.564 -0.425 238 HG21 VAL 32 HG21 VAL 32 2.597 -3.911 -0.031 239 HG22 VAL 32 HG22 VAL 32 3.279 -4.581 -1.513 240 HG23 VAL 32 HG23 VAL 32 2.796 -5.677 -0.225 241 H SER 33 H SER 33 7.217 -4.323 2.028 242 HA SER 33 HA SER 33 6.890 -1.865 3.638 243 HB2 SER 33 HB2 SER 33 9.381 -1.903 3.659 244 HB3 SER 33 HB3 SER 33 8.639 -3.353 4.343 245 HG SER 33 HG SER 33 10.321 -3.940 2.955 246 H ILE 34 H ILE 34 8.265 0.017 2.935 247 HA ILE 34 HA ILE 34 8.224 0.446 -0.012 248 HB ILE 34 HB ILE 34 7.899 2.785 0.317 249 HG12 ILE 34 HG12 ILE 34 7.486 2.298 3.299 250 HG13 ILE 34 HG13 ILE 34 8.925 3.033 2.586 251 HG21 ILE 34 HG21 ILE 34 5.947 1.290 -0.002 252 HG22 ILE 34 HG22 ILE 34 5.732 1.190 1.761 253 HG23 ILE 34 HG23 ILE 34 5.525 2.730 0.926 254 HD11 ILE 34 HD11 ILE 34 6.137 4.215 2.541 255 HD12 ILE 34 HD12 ILE 34 7.568 4.799 3.405 256 HD13 ILE 34 HD13 ILE 34 7.531 4.863 1.633 257 H LYS 35 H LYS 35 9.975 1.112 -0.964 258 HA LYS 35 HA LYS 35 12.515 1.135 0.595 259 HB2 LYS 35 HB2 LYS 35 11.934 -0.252 -1.619 260 HB3 LYS 35 HB3 LYS 35 12.359 1.253 -2.421 261 HG2 LYS 35 HG2 LYS 35 14.341 -0.029 -2.387 262 HG3 LYS 35 HG3 LYS 35 14.583 1.146 -1.089 263 HD2 LYS 35 HD2 LYS 35 13.806 -0.606 0.563 264 HD3 LYS 35 HD3 LYS 35 13.658 -1.760 -0.759 265 HE2 LYS 35 HE2 LYS 35 16.239 -0.362 0.086 266 HE3 LYS 35 HE3 LYS 35 15.740 -1.965 0.627 267 HZ1 LYS 35 HZ1 LYS 35 17.254 -2.139 -1.237 268 HZ2 LYS 35 HZ2 LYS 35 16.297 -1.235 -2.196 269 HZ3 LYS 35 HZ3 LYS 35 15.797 -2.709 -1.691 270 H SER 36 H SER 36 10.540 3.242 -1.367 271 HA SER 36 HA SER 36 11.967 5.633 -0.385 272 HB2 SER 36 HB2 SER 36 11.626 5.138 -3.379 273 HB3 SER 36 HB3 SER 36 12.239 6.619 -2.633 274 HG SER 36 HG SER 36 13.974 5.306 -1.754 275 H GLU 37 H GLU 37 10.826 7.629 -0.886 276 HA GLU 37 HA GLU 37 7.895 7.433 -1.127 277 HB2 GLU 37 HB2 GLU 37 7.912 9.851 -0.832 278 HB3 GLU 37 HB3 GLU 37 8.818 9.047 0.446 279 HG2 GLU 37 HG2 GLU 37 10.956 9.636 -0.719 280 HG3 GLU 37 HG3 GLU 37 10.032 10.459 -1.976 281 H GLY 38 H GLY 38 6.718 8.716 -2.733 282 HA2 GLY 38 HA2 GLY 38 6.281 9.568 -4.833 283 HA3 GLY 38 HA3 GLY 38 7.985 9.432 -5.283 284 H SER 39 H SER 39 6.125 8.679 -7.129 285 HA SER 39 HA SER 39 5.676 5.804 -7.156 286 HB2 SER 39 HB2 SER 39 5.245 6.182 -9.588 287 HB3 SER 39 HB3 SER 39 4.251 7.146 -8.495 288 HG SER 39 HG SER 39 5.057 8.423 -10.211 289 H CYS 40 H CYS 40 6.749 4.295 -8.386 290 HA CYS 40 HA CYS 40 9.683 4.743 -8.415 291 HB2 CYS 40 HB2 CYS 40 8.054 2.575 -7.673 292 HB3 CYS 40 HB3 CYS 40 8.878 2.035 -9.127 293 HA PRO 41 HA PRO 41 9.876 4.982 -12.873 294 HB2 PRO 41 HB2 PRO 41 12.510 4.443 -13.366 295 HB3 PRO 41 HB3 PRO 41 11.966 5.940 -12.551 296 HG2 PRO 41 HG2 PRO 41 12.981 3.383 -11.261 297 HG3 PRO 41 HG3 PRO 41 13.504 5.068 -10.937 298 HD2 PRO 41 HD2 PRO 41 11.653 3.806 -9.380 299 HD3 PRO 41 HD3 PRO 41 11.522 5.549 -9.739 300 H THR 42 H THR 42 10.035 3.700 -14.767 301 HA THR 42 HA THR 42 9.611 0.824 -14.431 302 HB THR 42 HB THR 42 9.205 0.926 -16.922 303 HG1 THR 42 HG1 THR 42 10.363 2.691 -17.562 304 HG21 THR 42 HG21 THR 42 7.103 2.155 -16.743 305 HG22 THR 42 HG22 THR 42 7.648 2.945 -15.250 306 HG23 THR 42 HG23 THR 42 7.372 1.189 -15.281 307 H GLY 43 H GLY 43 12.391 2.582 -14.797 308 HA2 GLY 43 HA2 GLY 43 14.044 0.250 -15.432 309 HA3 GLY 43 HA3 GLY 43 14.000 1.441 -16.734 310 H ILE 44 H ILE 44 14.915 0.828 -13.424 311 HA ILE 44 HA ILE 44 16.150 3.292 -12.708 312 HB ILE 44 HB ILE 44 15.484 1.572 -11.113 313 HG12 ILE 44 HG12 ILE 44 18.466 2.166 -10.907 314 HG13 ILE 44 HG13 ILE 44 17.187 3.348 -10.611 315 HG21 ILE 44 HG21 ILE 44 16.762 -0.462 -10.728 316 HG22 ILE 44 HG22 ILE 44 16.252 -0.454 -12.413 317 HG23 ILE 44 HG23 ILE 44 17.924 -0.037 -11.997 318 HD11 ILE 44 HD11 ILE 44 16.286 1.894 -8.787 319 HD12 ILE 44 HD12 ILE 44 17.677 0.803 -9.016 320 HD13 ILE 44 HD13 ILE 44 17.937 2.474 -8.496 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 -11.677 -9.232 3.027 2 H2 LYS 1 H2 LYS 1 -11.670 -10.052 1.619 3 H3 LYS 1 H3 LYS 1 -10.963 -8.588 1.701 4 HA LYS 1 HA LYS 1 -13.031 -8.480 0.534 5 HB2 LYS 1 HB2 LYS 1 -15.141 -8.945 1.460 6 HB3 LYS 1 HB3 LYS 1 -14.120 -10.362 1.660 7 HG2 LYS 1 HG2 LYS 1 -13.748 -9.577 4.089 8 HG3 LYS 1 HG3 LYS 1 -15.052 -8.415 3.798 9 HD2 LYS 1 HD2 LYS 1 -15.300 -11.452 3.639 10 HD3 LYS 1 HD3 LYS 1 -15.808 -10.420 4.967 11 HE2 LYS 1 HE2 LYS 1 -17.826 -10.540 3.980 12 HE3 LYS 1 HE3 LYS 1 -17.211 -9.179 3.053 13 HZ1 LYS 1 HZ1 LYS 1 -16.544 -10.852 1.312 14 HZ2 LYS 1 HZ2 LYS 1 -18.158 -10.833 1.580 15 HZ3 LYS 1 HZ3 LYS 1 -17.245 -12.037 2.203 16 H LYS 2 H LYS 2 -12.851 -7.409 3.906 17 HA LYS 2 HA LYS 2 -13.799 -4.703 3.344 18 HB2 LYS 2 HB2 LYS 2 -12.323 -5.794 5.784 19 HB3 LYS 2 HB3 LYS 2 -13.143 -4.233 5.668 20 HG2 LYS 2 HG2 LYS 2 -15.308 -5.424 5.270 21 HG3 LYS 2 HG3 LYS 2 -14.466 -6.971 5.485 22 HD2 LYS 2 HD2 LYS 2 -13.740 -6.200 7.769 23 HD3 LYS 2 HD3 LYS 2 -14.794 -4.793 7.588 24 HE2 LYS 2 HE2 LYS 2 -15.679 -7.718 7.447 25 HE3 LYS 2 HE3 LYS 2 -15.793 -6.705 8.886 26 HZ1 LYS 2 HZ1 LYS 2 -17.302 -5.232 7.664 27 HZ2 LYS 2 HZ2 LYS 2 -17.895 -6.749 7.700 28 HZ3 LYS 2 HZ3 LYS 2 -17.220 -6.178 6.332 29 H VAL 3 H VAL 3 -12.617 -3.261 2.151 30 HA VAL 3 HA VAL 3 -9.766 -3.277 1.878 31 HB VAL 3 HB VAL 3 -10.193 -1.033 0.884 32 HG11 VAL 3 HG11 VAL 3 -10.184 -3.074 -0.483 33 HG12 VAL 3 HG12 VAL 3 -11.931 -3.268 -0.217 34 HG13 VAL 3 HG13 VAL 3 -11.312 -1.868 -1.118 35 HG21 VAL 3 HG21 VAL 3 -13.155 -1.599 1.268 36 HG22 VAL 3 HG22 VAL 3 -12.227 -0.356 2.140 37 HG23 VAL 3 HG23 VAL 3 -12.423 -0.249 0.389 38 H CYS 4 H CYS 4 -8.252 -1.769 2.654 39 HA CYS 4 HA CYS 4 -8.593 -0.842 5.390 40 HB2 CYS 4 HB2 CYS 4 -6.396 -0.578 3.320 41 HB3 CYS 4 HB3 CYS 4 -6.311 0.215 4.891 42 H ALA 5 H ALA 5 -9.542 0.953 6.011 43 HA ALA 5 HA ALA 5 -10.307 3.156 4.321 44 HB1 ALA 5 HB1 ALA 5 -11.570 2.512 6.318 45 HB2 ALA 5 HB2 ALA 5 -10.174 2.884 7.356 46 HB3 ALA 5 HB3 ALA 5 -10.991 4.184 6.461 47 H CYS 6 H CYS 6 -8.656 4.197 3.293 48 HA CYS 6 HA CYS 6 -6.558 5.544 4.891 49 HB2 CYS 6 HB2 CYS 6 -6.421 4.298 2.119 50 HB3 CYS 6 HB3 CYS 6 -5.203 5.367 2.766 51 HA PRO 7 HA PRO 7 -8.118 9.240 3.129 52 HB2 PRO 7 HB2 PRO 7 -5.973 10.906 3.134 53 HB3 PRO 7 HB3 PRO 7 -6.661 10.205 4.636 54 HG2 PRO 7 HG2 PRO 7 -4.287 9.198 3.053 55 HG3 PRO 7 HG3 PRO 7 -4.365 9.565 4.810 56 HD2 PRO 7 HD2 PRO 7 -4.739 7.051 3.871 57 HD3 PRO 7 HD3 PRO 7 -5.724 7.643 5.233 58 H LYS 8 H LYS 8 -8.058 10.787 1.375 59 HA LYS 8 HA LYS 8 -7.472 9.536 -1.207 60 HB2 LYS 8 HB2 LYS 8 -8.648 12.280 -0.608 61 HB3 LYS 8 HB3 LYS 8 -8.693 11.425 -2.153 62 HG2 LYS 8 HG2 LYS 8 -9.911 9.528 -0.730 63 HG3 LYS 8 HG3 LYS 8 -10.214 10.857 0.390 64 HD2 LYS 8 HD2 LYS 8 -12.144 10.813 -0.979 65 HD3 LYS 8 HD3 LYS 8 -11.188 12.152 -1.605 66 HE2 LYS 8 HE2 LYS 8 -11.966 10.980 -3.517 67 HE3 LYS 8 HE3 LYS 8 -10.262 10.547 -3.368 68 HZ1 LYS 8 HZ1 LYS 8 -12.559 8.872 -2.481 69 HZ2 LYS 8 HZ2 LYS 8 -10.990 8.449 -2.304 70 HZ3 LYS 8 HZ3 LYS 8 -11.635 8.594 -3.793 71 H ILE 9 H ILE 9 -5.613 11.366 0.689 72 HA ILE 9 HA ILE 9 -4.418 13.356 -0.871 73 HB ILE 9 HB ILE 9 -2.939 11.673 1.155 74 HG12 ILE 9 HG12 ILE 9 -4.402 14.308 1.673 75 HG13 ILE 9 HG13 ILE 9 -5.114 12.742 2.025 76 HG21 ILE 9 HG21 ILE 9 -1.495 13.669 1.462 77 HG22 ILE 9 HG22 ILE 9 -1.420 13.091 -0.185 78 HG23 ILE 9 HG23 ILE 9 -2.403 14.521 0.198 79 HD11 ILE 9 HD11 ILE 9 -2.638 13.893 3.354 80 HD12 ILE 9 HD12 ILE 9 -4.228 13.600 4.069 81 HD13 ILE 9 HD13 ILE 9 -3.220 12.225 3.577 82 H LEU 10 H LEU 10 -3.053 13.453 -2.368 83 HA LEU 10 HA LEU 10 -2.019 11.083 -3.843 84 HB2 LEU 10 HB2 LEU 10 -1.983 14.056 -4.494 85 HB3 LEU 10 HB3 LEU 10 -1.325 12.799 -5.539 86 HG LEU 10 HG LEU 10 -4.260 12.974 -4.713 87 HD11 LEU 10 HD11 LEU 10 -2.888 13.770 -7.313 88 HD12 LEU 10 HD12 LEU 10 -3.585 14.882 -6.114 89 HD13 LEU 10 HD13 LEU 10 -4.640 13.775 -7.006 90 HD21 LEU 10 HD21 LEU 10 -3.617 10.679 -5.326 91 HD22 LEU 10 HD22 LEU 10 -2.835 11.272 -6.811 92 HD23 LEU 10 HD23 LEU 10 -4.597 11.395 -6.607 93 H LYS 11 H LYS 11 -0.635 10.455 -2.093 94 HA LYS 11 HA LYS 11 2.073 11.730 -2.321 95 HB2 LYS 11 HB2 LYS 11 0.808 12.280 -0.153 96 HB3 LYS 11 HB3 LYS 11 1.051 10.609 0.313 97 HG2 LYS 11 HG2 LYS 11 3.211 12.672 -0.346 98 HG3 LYS 11 HG3 LYS 11 2.700 12.182 1.270 99 HD2 LYS 11 HD2 LYS 11 3.461 9.833 0.736 100 HD3 LYS 11 HD3 LYS 11 4.173 10.452 -0.762 101 HE2 LYS 11 HE2 LYS 11 4.900 11.326 2.067 102 HE3 LYS 11 HE3 LYS 11 5.794 10.179 1.071 103 HZ1 LYS 11 HZ1 LYS 11 5.491 13.079 0.568 104 HZ2 LYS 11 HZ2 LYS 11 6.058 12.045 -0.575 105 HZ3 LYS 11 HZ3 LYS 11 6.867 12.212 0.833 106 HA PRO 12 HA PRO 12 1.908 7.218 -3.383 107 HB2 PRO 12 HB2 PRO 12 3.337 7.291 -5.753 108 HB3 PRO 12 HB3 PRO 12 1.574 7.578 -5.635 109 HG2 PRO 12 HG2 PRO 12 3.798 9.636 -5.718 110 HG3 PRO 12 HG3 PRO 12 2.280 9.601 -6.675 111 HD2 PRO 12 HD2 PRO 12 2.501 11.109 -4.431 112 HD3 PRO 12 HD3 PRO 12 0.981 10.242 -4.808 113 H VAL 13 H VAL 13 3.625 5.667 -3.602 114 HA VAL 13 HA VAL 13 6.335 6.379 -2.639 115 HB VAL 13 HB VAL 13 6.138 4.783 -0.756 116 HG11 VAL 13 HG11 VAL 13 5.774 7.250 -0.400 117 HG12 VAL 13 HG12 VAL 13 4.028 6.954 -0.479 118 HG13 VAL 13 HG13 VAL 13 4.998 6.206 0.800 119 HG21 VAL 13 HG21 VAL 13 4.267 3.374 -1.438 120 HG22 VAL 13 HG22 VAL 13 3.857 4.164 0.091 121 HG23 VAL 13 HG23 VAL 13 3.147 4.757 -1.410 122 H CYS 14 H CYS 14 7.839 4.568 -2.727 123 HA CYS 14 HA CYS 14 7.053 2.569 -4.813 124 HB2 CYS 14 HB2 CYS 14 8.905 3.995 -5.447 125 HB3 CYS 14 HB3 CYS 14 9.799 3.551 -3.986 126 H GLY 15 H GLY 15 6.502 0.650 -4.122 127 HA2 GLY 15 HA2 GLY 15 7.232 -0.519 -1.535 128 HA3 GLY 15 HA3 GLY 15 6.377 -1.304 -2.849 129 H SER 16 H SER 16 8.345 -2.543 -1.248 130 HA SER 16 HA SER 16 10.871 -2.808 -2.445 131 HB2 SER 16 HB2 SER 16 10.954 -4.975 -1.239 132 HB3 SER 16 HB3 SER 16 10.394 -3.631 -0.230 133 HG SER 16 HG SER 16 9.138 -5.606 -0.053 134 H ASP 17 H ASP 17 7.845 -4.209 -3.474 135 HA ASP 17 HA ASP 17 9.018 -6.108 -5.378 136 HB2 ASP 17 HB2 ASP 17 6.785 -6.364 -4.249 137 HB3 ASP 17 HB3 ASP 17 6.182 -5.019 -5.221 138 H GLY 18 H GLY 18 8.305 -2.728 -5.427 139 HA2 GLY 18 HA2 GLY 18 9.420 -1.298 -7.004 140 HA3 GLY 18 HA3 GLY 18 9.104 -2.466 -8.291 141 H ARG 19 H ARG 19 6.340 -2.487 -6.682 142 HA ARG 19 HA ARG 19 4.913 -0.894 -8.623 143 HB2 ARG 19 HB2 ARG 19 4.313 -3.136 -7.493 144 HB3 ARG 19 HB3 ARG 19 3.786 -2.199 -6.114 145 HG2 ARG 19 HG2 ARG 19 2.670 -1.333 -8.761 146 HG3 ARG 19 HG3 ARG 19 2.232 -2.965 -8.279 147 HD2 ARG 19 HD2 ARG 19 1.142 -2.264 -6.312 148 HD3 ARG 19 HD3 ARG 19 1.829 -0.635 -6.385 149 HE ARG 19 HE ARG 19 0.469 -0.677 -8.714 150 HH11 ARG 19 HH11 ARG 19 -0.693 -1.606 -5.574 151 HH12 ARG 19 HH12 ARG 19 -2.305 -1.007 -5.885 152 HH21 ARG 19 HH21 ARG 19 -1.563 0.071 -9.070 153 HH22 ARG 19 HH22 ARG 19 -2.771 -0.080 -7.831 154 H THR 20 H THR 20 3.426 0.656 -8.196 155 HA THR 20 HA THR 20 4.032 2.684 -6.061 156 HB THR 20 HB THR 20 3.022 2.984 -8.912 157 HG1 THR 20 HG1 THR 20 4.959 3.695 -9.324 158 HG21 THR 20 HG21 THR 20 3.517 5.180 -6.861 159 HG22 THR 20 HG22 THR 20 1.925 4.710 -7.500 160 HG23 THR 20 HG23 THR 20 3.116 5.400 -8.588 161 H TYR 21 H TYR 21 2.497 3.080 -4.611 162 HA TYR 21 HA TYR 21 -0.357 2.451 -5.196 163 HB2 TYR 21 HB2 TYR 21 0.712 2.589 -2.397 164 HB3 TYR 21 HB3 TYR 21 -0.629 1.673 -3.090 165 HD1 TYR 21 HD2 TYR 21 3.098 1.828 -2.889 166 HD2 TYR 21 HD1 TYR 21 -0.379 -0.642 -3.531 167 HE1 TYR 21 HE2 TYR 21 4.542 -0.155 -3.039 168 HE2 TYR 21 HE1 TYR 21 1.104 -2.667 -3.666 169 HH TYR 21 HH TYR 21 4.666 -2.403 -3.470 170 H ALA 22 H ALA 22 -1.837 3.716 -3.590 171 HA ALA 22 HA ALA 22 -1.763 6.452 -4.211 172 HB1 ALA 22 HB1 ALA 22 -3.252 5.067 -1.934 173 HB2 ALA 22 HB2 ALA 22 -3.640 6.646 -2.641 174 HB3 ALA 22 HB3 ALA 22 -3.799 5.179 -3.625 175 H ASN 23 H ASN 23 -0.910 4.945 -1.065 176 HA ASN 23 HA ASN 23 1.146 6.825 -0.477 177 HB2 ASN 23 HB2 ASN 23 0.216 7.980 1.398 178 HB3 ASN 23 HB3 ASN 23 -0.942 8.181 0.109 179 HD21 ASN 23 HD21 ASN 23 -1.483 8.491 2.914 180 HD22 ASN 23 HD22 ASN 23 -2.668 7.256 3.307 181 H SER 24 H SER 24 1.715 6.550 2.058 182 HA SER 24 HA SER 24 2.679 3.942 2.392 183 HB2 SER 24 HB2 SER 24 2.099 5.954 4.601 184 HB3 SER 24 HB3 SER 24 3.230 4.588 4.683 185 HG SER 24 HG SER 24 4.288 6.567 4.179 186 H CYS 25 H CYS 25 -0.380 5.271 3.627 187 HA CYS 25 HA CYS 25 -1.079 3.246 5.490 188 HB2 CYS 25 HB2 CYS 25 -2.189 5.395 5.383 189 HB3 CYS 25 HB3 CYS 25 -2.786 5.070 3.758 190 H ILE 26 H ILE 26 -1.730 3.440 1.954 191 HA ILE 26 HA ILE 26 -3.227 0.939 2.017 192 HB ILE 26 HB ILE 26 -3.498 3.014 0.415 193 HG12 ILE 26 HG12 ILE 26 -4.249 1.328 -1.433 194 HG13 ILE 26 HG13 ILE 26 -3.657 0.075 -0.339 195 HG21 ILE 26 HG21 ILE 26 -1.305 3.066 -0.578 196 HG22 ILE 26 HG22 ILE 26 -1.545 1.413 -1.207 197 HG23 ILE 26 HG23 ILE 26 -2.550 2.759 -1.781 198 HD11 ILE 26 HD11 ILE 26 -6.111 0.412 -0.138 199 HD12 ILE 26 HD12 ILE 26 -5.317 0.842 1.387 200 HD13 ILE 26 HD13 ILE 26 -5.856 2.119 0.272 201 H ALA 27 H ALA 27 -0.057 2.028 0.985 202 HA ALA 27 HA ALA 27 0.957 -0.349 -0.073 203 HB1 ALA 27 HB1 ALA 27 2.515 1.764 1.472 204 HB2 ALA 27 HB2 ALA 27 3.187 0.593 0.319 205 HB3 ALA 27 HB3 ALA 27 2.069 1.846 -0.247 206 H ARG 28 H ARG 28 1.212 0.732 3.307 207 HA ARG 28 HA ARG 28 2.427 -1.588 4.480 208 HB2 ARG 28 HB2 ARG 28 0.507 0.482 5.638 209 HB3 ARG 28 HB3 ARG 28 1.379 -0.696 6.605 210 HG2 ARG 28 HG2 ARG 28 3.157 0.895 4.825 211 HG3 ARG 28 HG3 ARG 28 2.244 1.884 5.954 212 HD2 ARG 28 HD2 ARG 28 3.886 -0.532 6.802 213 HD3 ARG 28 HD3 ARG 28 4.518 1.125 6.746 214 HE ARG 28 HE ARG 28 2.198 1.332 8.264 215 HH11 ARG 28 HH11 ARG 28 5.180 -0.441 8.673 216 HH12 ARG 28 HH12 ARG 28 5.069 -0.405 10.412 217 HH21 ARG 28 HH21 ARG 28 2.109 1.356 10.467 218 HH22 ARG 28 HH22 ARG 28 3.368 0.597 11.394 219 H CYS 29 H CYS 29 -0.987 -0.884 3.796 220 HA CYS 29 HA CYS 29 -2.052 -3.200 5.209 221 HB2 CYS 29 HB2 CYS 29 -3.423 -1.267 4.913 222 HB3 CYS 29 HB3 CYS 29 -3.168 -1.243 3.174 223 H ASN 30 H ASN 30 -1.047 -2.536 1.884 224 HA ASN 30 HA ASN 30 -2.009 -4.900 0.646 225 HB2 ASN 30 HB2 ASN 30 -0.563 -2.522 -0.086 226 HB3 ASN 30 HB3 ASN 30 0.405 -3.860 -0.608 227 HD21 ASN 30 HD21 ASN 30 -2.866 -2.462 -0.780 228 HD22 ASN 30 HD22 ASN 30 -3.245 -3.197 -2.337 229 H GLY 31 H GLY 31 0.453 -4.776 2.963 230 HA2 GLY 31 HA2 GLY 31 1.509 -6.652 3.890 231 HA3 GLY 31 HA3 GLY 31 1.180 -7.585 2.435 232 H VAL 32 H VAL 32 2.697 -4.487 1.992 233 HA VAL 32 HA VAL 32 5.364 -5.711 1.468 234 HB VAL 32 HB VAL 32 5.009 -3.564 -0.323 235 HG11 VAL 32 HG11 VAL 32 5.179 -5.307 -2.050 236 HG12 VAL 32 HG12 VAL 32 6.291 -5.647 -0.716 237 HG13 VAL 32 HG13 VAL 32 4.768 -6.556 -0.852 238 HG21 VAL 32 HG21 VAL 32 3.087 -4.190 -1.709 239 HG22 VAL 32 HG22 VAL 32 2.548 -5.337 -0.495 240 HG23 VAL 32 HG23 VAL 32 2.600 -3.587 -0.124 241 H SER 33 H SER 33 7.156 -4.230 1.457 242 HA SER 33 HA SER 33 6.812 -2.017 3.445 243 HB2 SER 33 HB2 SER 33 9.485 -3.168 2.719 244 HB3 SER 33 HB3 SER 33 8.949 -2.423 4.226 245 HG SER 33 HG SER 33 7.624 -4.356 4.541 246 H ILE 34 H ILE 34 7.560 0.031 2.925 247 HA ILE 34 HA ILE 34 8.158 0.497 0.057 248 HB ILE 34 HB ILE 34 7.835 2.819 0.401 249 HG12 ILE 34 HG12 ILE 34 7.200 2.286 3.337 250 HG13 ILE 34 HG13 ILE 34 8.688 3.033 2.748 251 HG21 ILE 34 HG21 ILE 34 5.426 2.720 0.823 252 HG22 ILE 34 HG22 ILE 34 5.933 1.290 -0.073 253 HG23 ILE 34 HG23 ILE 34 5.589 1.181 1.669 254 HD11 ILE 34 HD11 ILE 34 5.893 4.187 2.477 255 HD12 ILE 34 HD12 ILE 34 7.235 4.795 3.455 256 HD13 ILE 34 HD13 ILE 34 7.341 4.857 1.684 257 H LYS 35 H LYS 35 9.959 1.152 -0.801 258 HA LYS 35 HA LYS 35 12.448 1.136 0.862 259 HB2 LYS 35 HB2 LYS 35 11.769 0.252 -1.835 260 HB3 LYS 35 HB3 LYS 35 13.012 1.486 -1.934 261 HG2 LYS 35 HG2 LYS 35 14.129 -0.586 -1.791 262 HG3 LYS 35 HG3 LYS 35 14.368 0.213 -0.233 263 HD2 LYS 35 HD2 LYS 35 12.539 -1.184 0.747 264 HD3 LYS 35 HD3 LYS 35 12.316 -1.984 -0.809 265 HE2 LYS 35 HE2 LYS 35 14.879 -2.015 0.855 266 HE3 LYS 35 HE3 LYS 35 13.665 -3.295 0.848 267 HZ1 LYS 35 HZ1 LYS 35 15.281 -2.470 -1.506 268 HZ2 LYS 35 HZ2 LYS 35 14.122 -3.624 -1.537 269 HZ3 LYS 35 HZ3 LYS 35 15.472 -3.841 -0.649 270 H SER 36 H SER 36 10.515 3.322 -1.057 271 HA SER 36 HA SER 36 11.810 5.667 0.106 272 HB2 SER 36 HB2 SER 36 12.145 5.007 -2.848 273 HB3 SER 36 HB3 SER 36 12.200 6.674 -2.259 274 HG SER 36 HG SER 36 13.797 4.723 -1.000 275 H GLU 37 H GLU 37 10.790 7.661 -0.597 276 HA GLU 37 HA GLU 37 7.879 7.465 -1.011 277 HB2 GLU 37 HB2 GLU 37 9.732 9.849 -0.582 278 HB3 GLU 37 HB3 GLU 37 7.969 9.938 -0.713 279 HG2 GLU 37 HG2 GLU 37 7.709 8.544 1.296 280 HG3 GLU 37 HG3 GLU 37 9.461 8.380 1.440 281 H GLY 38 H GLY 38 6.772 8.746 -2.667 282 HA2 GLY 38 HA2 GLY 38 6.483 9.685 -4.762 283 HA3 GLY 38 HA3 GLY 38 8.207 9.533 -5.117 284 H SER 39 H SER 39 6.196 8.791 -6.957 285 HA SER 39 HA SER 39 5.795 5.927 -7.051 286 HB2 SER 39 HB2 SER 39 5.405 6.413 -9.517 287 HB3 SER 39 HB3 SER 39 4.346 7.213 -8.350 288 HG SER 39 HG SER 39 5.078 8.665 -9.972 289 H CYS 40 H CYS 40 6.907 4.380 -8.157 290 HA CYS 40 HA CYS 40 9.807 4.870 -8.343 291 HB2 CYS 40 HB2 CYS 40 8.166 2.641 -7.693 292 HB3 CYS 40 HB3 CYS 40 9.036 2.195 -9.147 293 HA PRO 41 HA PRO 41 9.886 5.250 -12.800 294 HB2 PRO 41 HB2 PRO 41 12.453 4.522 -13.407 295 HB3 PRO 41 HB3 PRO 41 12.049 6.034 -12.542 296 HG2 PRO 41 HG2 PRO 41 12.925 3.386 -11.345 297 HG3 PRO 41 HG3 PRO 41 13.568 5.023 -10.997 298 HD2 PRO 41 HD2 PRO 41 11.689 3.842 -9.410 299 HD3 PRO 41 HD3 PRO 41 11.661 5.597 -9.718 300 H THR 42 H THR 42 9.829 4.033 -14.714 301 HA THR 42 HA THR 42 9.172 1.184 -14.321 302 HB THR 42 HB THR 42 8.674 2.674 -16.891 303 HG1 THR 42 HG1 THR 42 7.147 2.927 -14.512 304 HG21 THR 42 HG21 THR 42 7.905 0.322 -16.763 305 HG22 THR 42 HG22 THR 42 6.524 1.419 -16.797 306 HG23 THR 42 HG23 THR 42 7.024 0.675 -15.263 307 H GLY 43 H GLY 43 11.934 2.689 -15.239 308 HA2 GLY 43 HA2 GLY 43 13.922 1.583 -16.008 309 HA3 GLY 43 HA3 GLY 43 12.946 0.380 -16.844 310 H ILE 44 H ILE 44 14.391 3.524 -17.003 311 HA ILE 44 HA ILE 44 13.532 3.979 -19.833 312 HB ILE 44 HB ILE 44 14.288 6.154 -17.916 313 HG12 ILE 44 HG12 ILE 44 11.464 5.183 -18.560 314 HG13 ILE 44 HG13 ILE 44 12.266 5.080 -16.990 315 HG21 ILE 44 HG21 ILE 44 13.279 7.595 -19.640 316 HG22 ILE 44 HG22 ILE 44 14.477 6.556 -20.394 317 HG23 ILE 44 HG23 ILE 44 12.753 6.168 -20.560 318 HD11 ILE 44 HD11 ILE 44 12.406 7.583 -16.921 319 HD12 ILE 44 HD12 ILE 44 11.374 7.623 -18.374 320 HD13 ILE 44 HD13 ILE 44 10.764 6.911 -16.874 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 -10.348 -4.586 -5.604 2 H2 LYS 1 H2 LYS 1 -11.321 -3.595 -6.473 3 H3 LYS 1 H3 LYS 1 -9.893 -3.048 -5.897 4 HA LYS 1 HA LYS 1 -11.684 -2.174 -4.552 5 HB2 LYS 1 HB2 LYS 1 -12.281 -5.126 -4.065 6 HB3 LYS 1 HB3 LYS 1 -12.968 -3.825 -3.109 7 HG2 LYS 1 HG2 LYS 1 -13.361 -4.076 -6.122 8 HG3 LYS 1 HG3 LYS 1 -14.448 -4.774 -4.940 9 HD2 LYS 1 HD2 LYS 1 -13.843 -1.783 -5.008 10 HD3 LYS 1 HD3 LYS 1 -15.130 -2.543 -5.948 11 HE2 LYS 1 HE2 LYS 1 -16.139 -3.459 -3.876 12 HE3 LYS 1 HE3 LYS 1 -14.891 -2.669 -2.907 13 HZ1 LYS 1 HZ1 LYS 1 -15.705 -0.522 -3.729 14 HZ2 LYS 1 HZ2 LYS 1 -16.928 -1.339 -3.025 15 HZ3 LYS 1 HZ3 LYS 1 -16.840 -1.251 -4.649 16 H LYS 2 H LYS 2 -11.539 -1.977 -2.189 17 HA LYS 2 HA LYS 2 -9.089 -3.136 -0.946 18 HB2 LYS 2 HB2 LYS 2 -8.346 -0.933 -0.191 19 HB3 LYS 2 HB3 LYS 2 -8.416 -1.003 -1.949 20 HG2 LYS 2 HG2 LYS 2 -10.633 0.192 -1.876 21 HG3 LYS 2 HG3 LYS 2 -10.464 0.335 -0.117 22 HD2 LYS 2 HD2 LYS 2 -8.421 1.677 -0.398 23 HD3 LYS 2 HD3 LYS 2 -8.502 1.463 -2.163 24 HE2 LYS 2 HE2 LYS 2 -10.759 2.566 -2.148 25 HE3 LYS 2 HE3 LYS 2 -10.583 2.857 -0.414 26 HZ1 LYS 2 HZ1 LYS 2 -8.618 4.221 -0.918 27 HZ2 LYS 2 HZ2 LYS 2 -9.921 4.797 -1.715 28 HZ3 LYS 2 HZ3 LYS 2 -8.789 3.946 -2.522 29 H VAL 3 H VAL 3 -8.995 -3.005 1.289 30 HA VAL 3 HA VAL 3 -11.531 -2.434 2.774 31 HB VAL 3 HB VAL 3 -9.675 -4.706 3.543 32 HG11 VAL 3 HG11 VAL 3 -11.738 -5.626 4.599 33 HG12 VAL 3 HG12 VAL 3 -11.321 -4.056 5.267 34 HG13 VAL 3 HG13 VAL 3 -12.637 -4.185 4.080 35 HG21 VAL 3 HG21 VAL 3 -12.073 -4.913 1.672 36 HG22 VAL 3 HG22 VAL 3 -10.380 -5.305 1.282 37 HG23 VAL 3 HG23 VAL 3 -11.256 -6.290 2.442 38 H CYS 4 H CYS 4 -8.478 -1.556 2.417 39 HA CYS 4 HA CYS 4 -7.684 -0.940 5.199 40 HB2 CYS 4 HB2 CYS 4 -6.380 -0.314 2.537 41 HB3 CYS 4 HB3 CYS 4 -5.640 -0.083 4.116 42 H ALA 5 H ALA 5 -8.994 0.676 6.004 43 HA ALA 5 HA ALA 5 -9.902 2.996 4.568 44 HB1 ALA 5 HB1 ALA 5 -10.543 3.812 6.803 45 HB2 ALA 5 HB2 ALA 5 -11.050 2.132 6.550 46 HB3 ALA 5 HB3 ALA 5 -9.632 2.489 7.561 47 H CYS 6 H CYS 6 -8.394 4.271 3.588 48 HA CYS 6 HA CYS 6 -6.274 5.538 5.212 49 HB2 CYS 6 HB2 CYS 6 -6.147 4.413 2.384 50 HB3 CYS 6 HB3 CYS 6 -4.967 5.533 3.024 51 HA PRO 7 HA PRO 7 -7.860 9.347 3.691 52 HB2 PRO 7 HB2 PRO 7 -5.605 10.934 3.590 53 HB3 PRO 7 HB3 PRO 7 -6.399 10.375 5.100 54 HG2 PRO 7 HG2 PRO 7 -3.985 9.198 3.719 55 HG3 PRO 7 HG3 PRO 7 -4.199 9.577 5.458 56 HD2 PRO 7 HD2 PRO 7 -4.556 7.079 4.465 57 HD3 PRO 7 HD3 PRO 7 -5.610 7.685 5.769 58 H LYS 8 H LYS 8 -7.908 10.888 1.979 59 HA LYS 8 HA LYS 8 -7.538 9.736 -0.648 60 HB2 LYS 8 HB2 LYS 8 -9.419 11.321 0.341 61 HB3 LYS 8 HB3 LYS 8 -8.317 12.615 -0.133 62 HG2 LYS 8 HG2 LYS 8 -8.372 11.583 -2.500 63 HG3 LYS 8 HG3 LYS 8 -9.641 10.508 -1.904 64 HD2 LYS 8 HD2 LYS 8 -11.010 12.511 -1.306 65 HD3 LYS 8 HD3 LYS 8 -9.748 13.564 -1.953 66 HE2 LYS 8 HE2 LYS 8 -11.309 11.471 -3.538 67 HE3 LYS 8 HE3 LYS 8 -11.652 13.201 -3.524 68 HZ1 LYS 8 HZ1 LYS 8 -9.435 13.584 -4.478 69 HZ2 LYS 8 HZ2 LYS 8 -10.323 12.621 -5.448 70 HZ3 LYS 8 HZ3 LYS 8 -9.141 11.976 -4.533 71 H ILE 9 H ILE 9 -5.413 11.392 1.165 72 HA ILE 9 HA ILE 9 -4.209 13.348 -0.354 73 HB ILE 9 HB ILE 9 -3.681 13.023 1.921 74 HG12 ILE 9 HG12 ILE 9 -1.135 12.859 0.280 75 HG13 ILE 9 HG13 ILE 9 -2.149 14.296 0.441 76 HG21 ILE 9 HG21 ILE 9 -3.495 10.464 1.866 77 HG22 ILE 9 HG22 ILE 9 -1.865 10.676 1.208 78 HG23 ILE 9 HG23 ILE 9 -2.263 11.285 2.830 79 HD11 ILE 9 HD11 ILE 9 -0.619 12.923 2.689 80 HD12 ILE 9 HD12 ILE 9 -0.265 14.488 1.942 81 HD13 ILE 9 HD13 ILE 9 -1.742 14.288 2.907 82 H LEU 10 H LEU 10 -3.021 13.584 -1.922 83 HA LEU 10 HA LEU 10 -2.330 11.351 -3.755 84 HB2 LEU 10 HB2 LEU 10 -2.127 14.363 -4.158 85 HB3 LEU 10 HB3 LEU 10 -1.912 13.130 -5.400 86 HG LEU 10 HG LEU 10 -4.507 13.735 -3.906 87 HD11 LEU 10 HD11 LEU 10 -5.269 14.603 -6.066 88 HD12 LEU 10 HD12 LEU 10 -3.685 14.245 -6.793 89 HD13 LEU 10 HD13 LEU 10 -3.829 15.475 -5.517 90 HD21 LEU 10 HD21 LEU 10 -4.471 11.366 -4.530 91 HD22 LEU 10 HD22 LEU 10 -3.952 11.780 -6.183 92 HD23 LEU 10 HD23 LEU 10 -5.565 12.247 -5.596 93 H LYS 11 H LYS 11 -0.684 10.459 -2.364 94 HA LYS 11 HA LYS 11 2.002 11.702 -2.780 95 HB2 LYS 11 HB2 LYS 11 1.140 12.526 -0.585 96 HB3 LYS 11 HB3 LYS 11 1.017 10.853 -0.032 97 HG2 LYS 11 HG2 LYS 11 3.533 10.641 -0.515 98 HG3 LYS 11 HG3 LYS 11 3.546 12.373 -0.844 99 HD2 LYS 11 HD2 LYS 11 2.838 12.870 1.429 100 HD3 LYS 11 HD3 LYS 11 2.580 11.160 1.794 101 HE2 LYS 11 HE2 LYS 11 5.284 12.344 1.019 102 HE3 LYS 11 HE3 LYS 11 4.732 12.178 2.688 103 HZ1 LYS 11 HZ1 LYS 11 5.074 9.906 0.807 104 HZ2 LYS 11 HZ2 LYS 11 4.573 9.781 2.360 105 HZ3 LYS 11 HZ3 LYS 11 6.089 10.285 2.034 106 HA PRO 12 HA PRO 12 1.784 7.140 -3.519 107 HB2 PRO 12 HB2 PRO 12 3.189 7.067 -5.903 108 HB3 PRO 12 HB3 PRO 12 1.424 7.322 -5.773 109 HG2 PRO 12 HG2 PRO 12 3.594 9.403 -6.061 110 HG3 PRO 12 HG3 PRO 12 2.046 9.268 -6.958 111 HD2 PRO 12 HD2 PRO 12 2.325 10.949 -4.832 112 HD3 PRO 12 HD3 PRO 12 0.801 10.049 -5.097 113 H VAL 13 H VAL 13 3.524 5.591 -3.763 114 HA VAL 13 HA VAL 13 6.207 6.366 -2.774 115 HB VAL 13 HB VAL 13 6.067 4.750 -0.916 116 HG11 VAL 13 HG11 VAL 13 5.525 7.165 -0.510 117 HG12 VAL 13 HG12 VAL 13 3.803 6.758 -0.645 118 HG13 VAL 13 HG13 VAL 13 4.794 6.040 0.641 119 HG21 VAL 13 HG21 VAL 13 4.314 3.233 -1.743 120 HG22 VAL 13 HG22 VAL 13 3.901 3.867 -0.152 121 HG23 VAL 13 HG23 VAL 13 3.097 4.521 -1.584 122 H CYS 14 H CYS 14 7.642 4.334 -2.607 123 HA CYS 14 HA CYS 14 6.844 2.345 -4.702 124 HB2 CYS 14 HB2 CYS 14 8.684 3.813 -5.424 125 HB3 CYS 14 HB3 CYS 14 9.669 3.247 -4.072 126 H GLY 15 H GLY 15 6.192 0.598 -3.791 127 HA2 GLY 15 HA2 GLY 15 7.079 -0.423 -1.189 128 HA3 GLY 15 HA3 GLY 15 6.109 -1.281 -2.399 129 H SER 16 H SER 16 8.383 -2.242 -0.847 130 HA SER 16 HA SER 16 10.779 -2.548 -2.214 131 HB2 SER 16 HB2 SER 16 10.181 -3.242 0.127 132 HB3 SER 16 HB3 SER 16 9.426 -4.695 -0.547 133 HG SER 16 HG SER 16 11.588 -5.062 0.106 134 H ASP 17 H ASP 17 7.777 -4.098 -3.070 135 HA ASP 17 HA ASP 17 8.805 -6.210 -4.770 136 HB2 ASP 17 HB2 ASP 17 6.526 -6.144 -3.750 137 HB3 ASP 17 HB3 ASP 17 6.123 -4.766 -4.774 138 H GLY 18 H GLY 18 8.329 -2.778 -5.184 139 HA2 GLY 18 HA2 GLY 18 9.589 -1.550 -6.815 140 HA3 GLY 18 HA3 GLY 18 9.331 -2.846 -7.989 141 H ARG 19 H ARG 19 6.487 -2.651 -6.598 142 HA ARG 19 HA ARG 19 5.189 -1.043 -8.670 143 HB2 ARG 19 HB2 ARG 19 4.483 -3.301 -7.687 144 HB3 ARG 19 HB3 ARG 19 4.009 -2.429 -6.237 145 HG2 ARG 19 HG2 ARG 19 2.333 -1.148 -7.543 146 HG3 ARG 19 HG3 ARG 19 2.882 -1.920 -9.038 147 HD2 ARG 19 HD2 ARG 19 1.614 -3.325 -6.650 148 HD3 ARG 19 HD3 ARG 19 0.767 -2.884 -8.123 149 HE ARG 19 HE ARG 19 2.664 -5.107 -7.737 150 HH11 ARG 19 HH11 ARG 19 0.973 -3.277 -10.198 151 HH12 ARG 19 HH12 ARG 19 1.149 -4.545 -11.380 152 HH21 ARG 19 HH21 ARG 19 2.842 -6.669 -9.265 153 HH22 ARG 19 HH22 ARG 19 2.175 -6.423 -10.852 154 H THR 20 H THR 20 3.706 0.548 -8.204 155 HA THR 20 HA THR 20 4.076 2.149 -5.702 156 HB THR 20 HB THR 20 5.057 3.269 -7.680 157 HG1 THR 20 HG1 THR 20 4.303 4.370 -5.866 158 HG21 THR 20 HG21 THR 20 3.378 2.700 -9.435 159 HG22 THR 20 HG22 THR 20 3.629 4.450 -9.256 160 HG23 THR 20 HG23 THR 20 2.178 3.706 -8.580 161 H TYR 21 H TYR 21 2.319 3.172 -4.768 162 HA TYR 21 HA TYR 21 -0.424 2.455 -5.633 163 HB2 TYR 21 HB2 TYR 21 0.425 2.284 -2.748 164 HB3 TYR 21 HB3 TYR 21 -0.966 1.596 -3.552 165 HD1 TYR 21 HD1 TYR 21 2.761 1.235 -3.223 166 HD2 TYR 21 HD2 TYR 21 -0.966 -0.667 -4.296 167 HE1 TYR 21 HE1 TYR 21 3.932 -0.949 -3.428 168 HE2 TYR 21 HE2 TYR 21 0.206 -2.854 -4.450 169 HH TYR 21 HH TYR 21 2.188 -3.969 -4.231 170 H ALA 22 H ALA 22 -2.006 3.674 -3.924 171 HA ALA 22 HA ALA 22 -1.818 6.397 -4.580 172 HB1 ALA 22 HB1 ALA 22 -3.756 6.675 -3.116 173 HB2 ALA 22 HB2 ALA 22 -3.908 5.173 -4.044 174 HB3 ALA 22 HB3 ALA 22 -3.434 5.119 -2.329 175 H ASN 23 H ASN 23 -1.018 4.926 -1.408 176 HA ASN 23 HA ASN 23 1.072 6.814 -0.970 177 HB2 ASN 23 HB2 ASN 23 0.263 7.894 1.037 178 HB3 ASN 23 HB3 ASN 23 -0.930 8.161 -0.213 179 HD21 ASN 23 HD21 ASN 23 -1.639 8.546 2.386 180 HD22 ASN 23 HD22 ASN 23 -2.750 7.263 2.849 181 H SER 24 H SER 24 1.820 6.512 1.534 182 HA SER 24 HA SER 24 2.824 3.864 1.751 183 HB2 SER 24 HB2 SER 24 3.479 4.594 4.072 184 HB3 SER 24 HB3 SER 24 4.009 5.679 2.775 185 HG SER 24 HG SER 24 3.039 6.807 4.554 186 H CYS 25 H CYS 25 -0.023 5.300 3.162 187 HA CYS 25 HA CYS 25 -0.657 3.299 5.107 188 HB2 CYS 25 HB2 CYS 25 -1.597 5.539 5.157 189 HB3 CYS 25 HB3 CYS 25 -2.441 5.264 3.635 190 H ILE 26 H ILE 26 -1.643 3.576 1.637 191 HA ILE 26 HA ILE 26 -3.229 1.124 1.869 192 HB ILE 26 HB ILE 26 -3.589 3.098 0.197 193 HG12 ILE 26 HG12 ILE 26 -4.312 1.261 -1.575 194 HG13 ILE 26 HG13 ILE 26 -3.724 0.125 -0.356 195 HG21 ILE 26 HG21 ILE 26 -2.756 2.861 -2.003 196 HG22 ILE 26 HG22 ILE 26 -1.474 3.231 -0.859 197 HG23 ILE 26 HG23 ILE 26 -1.658 1.566 -1.488 198 HD11 ILE 26 HD11 ILE 26 -5.945 2.202 -0.015 199 HD12 ILE 26 HD12 ILE 26 -6.148 0.441 -0.117 200 HD13 ILE 26 HD13 ILE 26 -5.348 1.166 1.290 201 H ALA 27 H ALA 27 -0.145 2.076 0.532 202 HA ALA 27 HA ALA 27 0.628 -0.324 -0.621 203 HB1 ALA 27 HB1 ALA 27 1.740 1.748 -1.100 204 HB2 ALA 27 HB2 ALA 27 2.236 1.945 0.564 205 HB3 ALA 27 HB3 ALA 27 2.965 0.652 -0.439 206 H ARG 28 H ARG 28 1.356 0.730 2.720 207 HA ARG 28 HA ARG 28 2.750 -1.644 3.572 208 HB2 ARG 28 HB2 ARG 28 2.477 -0.864 5.794 209 HB3 ARG 28 HB3 ARG 28 2.725 0.541 4.747 210 HG2 ARG 28 HG2 ARG 28 0.226 0.883 4.802 211 HG3 ARG 28 HG3 ARG 28 0.138 -0.329 6.081 212 HD2 ARG 28 HD2 ARG 28 1.737 2.266 6.175 213 HD3 ARG 28 HD3 ARG 28 0.138 2.005 6.888 214 HE ARG 28 HE ARG 28 2.262 0.157 7.784 215 HH11 ARG 28 HH11 ARG 28 0.573 3.120 8.571 216 HH12 ARG 28 HH12 ARG 28 0.996 3.018 10.258 217 HH21 ARG 28 HH21 ARG 28 2.752 0.076 9.943 218 HH22 ARG 28 HH22 ARG 28 2.207 1.343 10.999 219 H CYS 29 H CYS 29 -0.639 -0.847 3.521 220 HA CYS 29 HA CYS 29 -1.511 -3.219 4.983 221 HB2 CYS 29 HB2 CYS 29 -2.520 -0.943 5.020 222 HB3 CYS 29 HB3 CYS 29 -3.105 -1.192 3.381 223 H ASN 30 H ASN 30 -1.001 -2.441 1.625 224 HA ASN 30 HA ASN 30 -2.143 -4.778 0.407 225 HB2 ASN 30 HB2 ASN 30 -0.668 -2.427 -0.396 226 HB3 ASN 30 HB3 ASN 30 0.228 -3.805 -0.973 227 HD21 ASN 30 HD21 ASN 30 -3.023 -2.323 -0.922 228 HD22 ASN 30 HD22 ASN 30 -3.508 -3.019 -2.467 229 H GLY 31 H GLY 31 0.448 -4.604 2.607 230 HA2 GLY 31 HA2 GLY 31 1.425 -6.533 3.531 231 HA3 GLY 31 HA3 GLY 31 1.189 -7.415 2.029 232 H VAL 32 H VAL 32 2.653 -4.271 1.693 233 HA VAL 32 HA VAL 32 5.308 -5.567 1.177 234 HB VAL 32 HB VAL 32 4.352 -3.137 -0.259 235 HG11 VAL 32 HG11 VAL 32 6.731 -3.611 -0.472 236 HG12 VAL 32 HG12 VAL 32 6.382 -5.282 -0.977 237 HG13 VAL 32 HG13 VAL 32 5.915 -3.908 -2.004 238 HG21 VAL 32 HG21 VAL 32 3.766 -4.710 -2.182 239 HG22 VAL 32 HG22 VAL 32 3.887 -6.057 -1.042 240 HG23 VAL 32 HG23 VAL 32 2.644 -4.800 -0.828 241 H SER 33 H SER 33 7.170 -4.436 1.562 242 HA SER 33 HA SER 33 7.204 -2.568 3.818 243 HB2 SER 33 HB2 SER 33 9.805 -2.761 2.760 244 HB3 SER 33 HB3 SER 33 9.155 -3.596 4.164 245 HG SER 33 HG SER 33 8.815 -5.395 2.983 246 H ILE 34 H ILE 34 7.474 -0.400 3.711 247 HA ILE 34 HA ILE 34 7.613 0.964 1.100 248 HB ILE 34 HB ILE 34 7.525 2.069 3.927 249 HG12 ILE 34 HG12 ILE 34 5.445 0.940 3.483 250 HG13 ILE 34 HG13 ILE 34 5.160 2.664 3.343 251 HG21 ILE 34 HG21 ILE 34 6.786 4.211 2.805 252 HG22 ILE 34 HG22 ILE 34 8.485 3.794 2.559 253 HG23 ILE 34 HG23 ILE 34 7.312 3.526 1.256 254 HD11 ILE 34 HD11 ILE 34 5.401 0.635 1.083 255 HD12 ILE 34 HD12 ILE 34 4.028 1.631 1.566 256 HD13 ILE 34 HD13 ILE 34 5.445 2.386 0.789 257 H LYS 35 H LYS 35 9.443 1.058 0.133 258 HA LYS 35 HA LYS 35 12.010 1.239 1.635 259 HB2 LYS 35 HB2 LYS 35 11.389 -0.298 -0.520 260 HB3 LYS 35 HB3 LYS 35 11.970 1.135 -1.365 261 HG2 LYS 35 HG2 LYS 35 13.902 -0.185 -1.096 262 HG3 LYS 35 HG3 LYS 35 14.044 0.990 0.217 263 HD2 LYS 35 HD2 LYS 35 12.872 -0.793 1.704 264 HD3 LYS 35 HD3 LYS 35 13.127 -1.916 0.379 265 HE2 LYS 35 HE2 LYS 35 15.278 -0.380 1.916 266 HE3 LYS 35 HE3 LYS 35 14.853 -2.073 2.158 267 HZ1 LYS 35 HZ1 LYS 35 16.797 -1.892 0.758 268 HZ2 LYS 35 HZ2 LYS 35 16.032 -0.950 -0.323 269 HZ3 LYS 35 HZ3 LYS 35 15.584 -2.510 -0.136 270 H SER 36 H SER 36 10.081 3.208 -0.549 271 HA SER 36 HA SER 36 11.463 5.636 0.296 272 HB2 SER 36 HB2 SER 36 12.953 4.651 -1.529 273 HB3 SER 36 HB3 SER 36 11.628 4.955 -2.666 274 HG SER 36 HG SER 36 13.218 6.666 -2.521 275 H GLU 37 H GLU 37 10.583 7.579 -0.931 276 HA GLU 37 HA GLU 37 7.651 7.249 -1.371 277 HB2 GLU 37 HB2 GLU 37 7.355 9.522 -0.721 278 HB3 GLU 37 HB3 GLU 37 8.108 8.607 0.565 279 HG2 GLU 37 HG2 GLU 37 9.707 10.386 -1.330 280 HG3 GLU 37 HG3 GLU 37 8.901 11.018 0.092 281 H GLY 38 H GLY 38 6.584 8.761 -2.851 282 HA2 GLY 38 HA2 GLY 38 6.333 9.790 -4.912 283 HA3 GLY 38 HA3 GLY 38 8.061 9.629 -5.252 284 H SER 39 H SER 39 6.011 8.923 -7.108 285 HA SER 39 HA SER 39 5.533 6.113 -7.240 286 HB2 SER 39 HB2 SER 39 5.942 7.945 -9.611 287 HB3 SER 39 HB3 SER 39 5.016 6.447 -9.558 288 HG SER 39 HG SER 39 3.665 8.304 -9.444 289 H CYS 40 H CYS 40 6.771 4.425 -7.993 290 HA CYS 40 HA CYS 40 9.625 4.803 -8.267 291 HB2 CYS 40 HB2 CYS 40 7.863 2.612 -7.827 292 HB3 CYS 40 HB3 CYS 40 8.729 2.242 -9.301 293 HA PRO 41 HA PRO 41 9.815 5.818 -12.553 294 HB2 PRO 41 HB2 PRO 41 12.337 5.029 -13.291 295 HB3 PRO 41 HB3 PRO 41 11.994 6.402 -12.200 296 HG2 PRO 41 HG2 PRO 41 12.735 3.564 -11.433 297 HG3 PRO 41 HG3 PRO 41 13.424 5.098 -10.812 298 HD2 PRO 41 HD2 PRO 41 11.482 3.748 -9.461 299 HD3 PRO 41 HD3 PRO 41 11.507 5.532 -9.496 300 H THR 42 H THR 42 8.326 4.713 -13.698 301 HA THR 42 HA THR 42 8.423 1.887 -14.315 302 HB THR 42 HB THR 42 6.446 2.424 -15.741 303 HG1 THR 42 HG1 THR 42 6.879 4.574 -16.223 304 HG21 THR 42 HG21 THR 42 4.942 2.924 -13.886 305 HG22 THR 42 HG22 THR 42 6.294 3.498 -12.894 306 HG23 THR 42 HG23 THR 42 6.195 1.785 -13.362 307 H GLY 43 H GLY 43 10.685 2.294 -15.141 308 HA2 GLY 43 HA2 GLY 43 10.680 2.406 -18.160 309 HA3 GLY 43 HA3 GLY 43 11.946 3.149 -17.189 310 H ILE 44 H ILE 44 11.040 0.269 -15.740 311 HA ILE 44 HA ILE 44 13.519 -1.109 -16.267 312 HB ILE 44 HB ILE 44 11.035 -2.226 -15.010 313 HG12 ILE 44 HG12 ILE 44 11.496 -0.226 -13.749 314 HG13 ILE 44 HG13 ILE 44 11.975 -1.619 -12.807 315 HG21 ILE 44 HG21 ILE 44 12.667 -3.687 -13.796 316 HG22 ILE 44 HG22 ILE 44 12.665 -3.945 -15.542 317 HG23 ILE 44 HG23 ILE 44 13.971 -3.009 -14.794 318 HD11 ILE 44 HD11 ILE 44 14.367 -1.192 -13.360 319 HD12 ILE 44 HD12 ILE 44 13.880 0.222 -14.325 320 HD13 ILE 44 HD13 ILE 44 13.599 0.199 -12.579 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 -12.433 0.516 -4.713 2 H2 LYS 1 H2 LYS 1 -13.785 -0.368 -4.942 3 H3 LYS 1 H3 LYS 1 -13.279 -0.057 -3.429 4 HA LYS 1 HA LYS 1 -12.759 -2.344 -4.031 5 HB2 LYS 1 HB2 LYS 1 -11.139 -1.055 -6.266 6 HB3 LYS 1 HB3 LYS 1 -11.077 -2.760 -5.809 7 HG2 LYS 1 HG2 LYS 1 -13.436 -3.067 -6.430 8 HG3 LYS 1 HG3 LYS 1 -13.596 -1.342 -6.781 9 HD2 LYS 1 HD2 LYS 1 -13.365 -2.455 -8.864 10 HD3 LYS 1 HD3 LYS 1 -11.873 -1.552 -8.577 11 HE2 LYS 1 HE2 LYS 1 -10.767 -3.662 -7.810 12 HE3 LYS 1 HE3 LYS 1 -12.275 -4.544 -8.093 13 HZ1 LYS 1 HZ1 LYS 1 -12.096 -3.945 -10.455 14 HZ2 LYS 1 HZ2 LYS 1 -10.764 -4.757 -9.980 15 HZ3 LYS 1 HZ3 LYS 1 -10.698 -3.142 -10.189 16 H LYS 2 H LYS 2 -12.106 -1.706 -1.827 17 HA LYS 2 HA LYS 2 -9.317 -2.296 -1.459 18 HB2 LYS 2 HB2 LYS 2 -8.712 -0.445 0.013 19 HB3 LYS 2 HB3 LYS 2 -9.001 0.116 -1.611 20 HG2 LYS 2 HG2 LYS 2 -11.333 0.270 0.292 21 HG3 LYS 2 HG3 LYS 2 -9.965 1.306 0.651 22 HD2 LYS 2 HD2 LYS 2 -11.357 1.295 -2.054 23 HD3 LYS 2 HD3 LYS 2 -11.782 2.370 -0.716 24 HE2 LYS 2 HE2 LYS 2 -9.460 3.256 -0.677 25 HE3 LYS 2 HE3 LYS 2 -9.037 2.221 -2.046 26 HZ1 LYS 2 HZ1 LYS 2 -11.104 4.359 -2.111 27 HZ2 LYS 2 HZ2 LYS 2 -10.685 3.420 -3.383 28 HZ3 LYS 2 HZ3 LYS 2 -9.613 4.475 -2.760 29 H VAL 3 H VAL 3 -8.812 -2.581 0.881 30 HA VAL 3 HA VAL 3 -11.184 -3.445 2.494 31 HB VAL 3 HB VAL 3 -8.558 -4.961 2.463 32 HG11 VAL 3 HG11 VAL 3 -10.050 -6.855 3.216 33 HG12 VAL 3 HG12 VAL 3 -9.978 -5.545 4.373 34 HG13 VAL 3 HG13 VAL 3 -11.397 -5.703 3.318 35 HG21 VAL 3 HG21 VAL 3 -9.675 -6.635 0.983 36 HG22 VAL 3 HG22 VAL 3 -11.024 -5.504 0.752 37 HG23 VAL 3 HG23 VAL 3 -9.392 -5.111 0.163 38 H CYS 4 H CYS 4 -9.044 -1.156 2.487 39 HA CYS 4 HA CYS 4 -8.833 -0.945 5.455 40 HB2 CYS 4 HB2 CYS 4 -6.600 -0.929 3.469 41 HB3 CYS 4 HB3 CYS 4 -6.548 0.315 4.712 42 H ALA 5 H ALA 5 -9.474 0.899 6.252 43 HA ALA 5 HA ALA 5 -10.330 3.164 4.632 44 HB1 ALA 5 HB1 ALA 5 -10.100 2.767 7.648 45 HB2 ALA 5 HB2 ALA 5 -10.887 4.135 6.835 46 HB3 ALA 5 HB3 ALA 5 -11.548 2.499 6.652 47 H CYS 6 H CYS 6 -8.603 4.074 3.558 48 HA CYS 6 HA CYS 6 -6.510 5.395 5.183 49 HB2 CYS 6 HB2 CYS 6 -6.326 4.128 2.423 50 HB3 CYS 6 HB3 CYS 6 -5.167 5.294 3.021 51 HA PRO 7 HA PRO 7 -8.024 9.132 3.333 52 HB2 PRO 7 HB2 PRO 7 -5.788 10.719 3.363 53 HB3 PRO 7 HB3 PRO 7 -6.685 10.219 4.832 54 HG2 PRO 7 HG2 PRO 7 -4.157 9.007 3.704 55 HG3 PRO 7 HG3 PRO 7 -4.512 9.468 5.397 56 HD2 PRO 7 HD2 PRO 7 -4.781 6.919 4.474 57 HD3 PRO 7 HD3 PRO 7 -5.900 7.567 5.702 58 H LYS 8 H LYS 8 -8.043 10.375 1.411 59 HA LYS 8 HA LYS 8 -7.100 8.979 -0.963 60 HB2 LYS 8 HB2 LYS 8 -9.333 10.393 -0.492 61 HB3 LYS 8 HB3 LYS 8 -8.329 11.724 -1.076 62 HG2 LYS 8 HG2 LYS 8 -7.836 10.025 -3.094 63 HG3 LYS 8 HG3 LYS 8 -9.282 9.218 -2.517 64 HD2 LYS 8 HD2 LYS 8 -9.097 12.148 -3.370 65 HD3 LYS 8 HD3 LYS 8 -9.645 10.817 -4.398 66 HE2 LYS 8 HE2 LYS 8 -11.501 10.348 -2.798 67 HE3 LYS 8 HE3 LYS 8 -10.989 11.730 -1.817 68 HZ1 LYS 8 HZ1 LYS 8 -11.888 11.890 -4.648 69 HZ2 LYS 8 HZ2 LYS 8 -11.419 13.167 -3.745 70 HZ3 LYS 8 HZ3 LYS 8 -12.772 12.343 -3.356 71 H ILE 9 H ILE 9 -5.565 11.137 0.903 72 HA ILE 9 HA ILE 9 -4.401 13.098 -0.580 73 HB ILE 9 HB ILE 9 -4.124 12.981 1.740 74 HG12 ILE 9 HG12 ILE 9 -1.762 13.533 2.089 75 HG13 ILE 9 HG13 ILE 9 -1.365 12.956 0.472 76 HG21 ILE 9 HG21 ILE 9 -2.088 10.725 1.439 77 HG22 ILE 9 HG22 ILE 9 -2.644 11.470 2.947 78 HG23 ILE 9 HG23 ILE 9 -3.755 10.490 1.988 79 HD11 ILE 9 HD11 ILE 9 -2.775 14.753 -0.508 80 HD12 ILE 9 HD12 ILE 9 -3.266 15.262 1.124 81 HD13 ILE 9 HD13 ILE 9 -1.579 15.430 0.603 82 H LEU 10 H LEU 10 -3.141 13.390 -2.071 83 HA LEU 10 HA LEU 10 -2.086 11.220 -3.728 84 HB2 LEU 10 HB2 LEU 10 -3.312 13.394 -4.427 85 HB3 LEU 10 HB3 LEU 10 -1.764 14.199 -4.259 86 HG LEU 10 HG LEU 10 -2.435 11.862 -6.111 87 HD11 LEU 10 HD11 LEU 10 -2.224 13.521 -7.908 88 HD12 LEU 10 HD12 LEU 10 -1.861 14.791 -6.720 89 HD13 LEU 10 HD13 LEU 10 -3.463 14.023 -6.750 90 HD21 LEU 10 HD21 LEU 10 -0.065 11.733 -5.578 91 HD22 LEU 10 HD22 LEU 10 0.148 13.466 -5.898 92 HD23 LEU 10 HD23 LEU 10 -0.255 12.342 -7.216 93 H LYS 11 H LYS 11 -0.511 10.335 -2.334 94 HA LYS 11 HA LYS 11 2.137 11.670 -2.496 95 HB2 LYS 11 HB2 LYS 11 0.911 12.266 -0.274 96 HB3 LYS 11 HB3 LYS 11 1.201 10.606 0.190 97 HG2 LYS 11 HG2 LYS 11 3.019 11.807 1.110 98 HG3 LYS 11 HG3 LYS 11 3.699 11.041 -0.319 99 HD2 LYS 11 HD2 LYS 11 4.529 13.279 -0.253 100 HD3 LYS 11 HD3 LYS 11 3.352 13.237 -1.568 101 HE2 LYS 11 HE2 LYS 11 1.631 14.197 0.005 102 HE3 LYS 11 HE3 LYS 11 2.868 14.271 1.266 103 HZ1 LYS 11 HZ1 LYS 11 4.126 15.797 -0.183 104 HZ2 LYS 11 HZ2 LYS 11 2.645 16.401 0.140 105 HZ3 LYS 11 HZ3 LYS 11 2.951 15.739 -1.319 106 HA PRO 12 HA PRO 12 2.003 7.093 -3.384 107 HB2 PRO 12 HB2 PRO 12 3.331 7.126 -5.802 108 HB3 PRO 12 HB3 PRO 12 1.569 7.388 -5.627 109 HG2 PRO 12 HG2 PRO 12 3.742 9.493 -5.826 110 HG3 PRO 12 HG3 PRO 12 2.211 9.383 -6.759 111 HD2 PRO 12 HD2 PRO 12 2.361 10.967 -4.589 112 HD3 PRO 12 HD3 PRO 12 0.910 9.948 -4.856 113 H VAL 13 H VAL 13 3.733 5.582 -3.595 114 HA VAL 13 HA VAL 13 6.482 6.405 -2.853 115 HB VAL 13 HB VAL 13 6.485 4.848 -0.941 116 HG11 VAL 13 HG11 VAL 13 4.288 6.892 -0.514 117 HG12 VAL 13 HG12 VAL 13 5.477 6.270 0.647 118 HG13 VAL 13 HG13 VAL 13 5.996 7.330 -0.669 119 HG21 VAL 13 HG21 VAL 13 4.266 4.188 0.073 120 HG22 VAL 13 HG22 VAL 13 3.479 4.632 -1.435 121 HG23 VAL 13 HG23 VAL 13 4.686 3.321 -1.413 122 H CYS 14 H CYS 14 8.029 4.676 -2.963 123 HA CYS 14 HA CYS 14 7.355 2.673 -5.056 124 HB2 CYS 14 HB2 CYS 14 9.335 4.046 -5.424 125 HB3 CYS 14 HB3 CYS 14 10.014 3.546 -3.867 126 H GLY 15 H GLY 15 6.687 0.749 -4.422 127 HA2 GLY 15 HA2 GLY 15 6.968 -0.412 -1.791 128 HA3 GLY 15 HA3 GLY 15 6.433 -1.217 -3.265 129 H SER 16 H SER 16 7.953 -2.488 -1.330 130 HA SER 16 HA SER 16 10.695 -2.755 -1.805 131 HB2 SER 16 HB2 SER 16 10.455 -5.015 -0.867 132 HB3 SER 16 HB3 SER 16 9.580 -3.786 0.059 133 HG SER 16 HG SER 16 8.368 -5.742 -0.343 134 H ASP 17 H ASP 17 8.090 -3.972 -3.766 135 HA ASP 17 HA ASP 17 9.903 -5.532 -5.536 136 HB2 ASP 17 HB2 ASP 17 7.703 -6.411 -4.670 137 HB3 ASP 17 HB3 ASP 17 6.887 -5.204 -5.662 138 H GLY 18 H GLY 18 8.941 -2.329 -5.410 139 HA2 GLY 18 HA2 GLY 18 9.583 -0.654 -6.949 140 HA3 GLY 18 HA3 GLY 18 9.591 -1.819 -8.272 141 H ARG 19 H ARG 19 6.815 -2.301 -6.588 142 HA ARG 19 HA ARG 19 4.994 -1.144 -8.488 143 HB2 ARG 19 HB2 ARG 19 4.780 -3.166 -6.815 144 HB3 ARG 19 HB3 ARG 19 4.386 -1.945 -5.631 145 HG2 ARG 19 HG2 ARG 19 2.338 -2.816 -6.326 146 HG3 ARG 19 HG3 ARG 19 2.399 -1.272 -7.152 147 HD2 ARG 19 HD2 ARG 19 3.234 -3.915 -8.430 148 HD3 ARG 19 HD3 ARG 19 1.565 -3.343 -8.439 149 HE ARG 19 HE ARG 19 2.620 -1.227 -9.595 150 HH11 ARG 19 HH11 ARG 19 3.237 -4.575 -10.356 151 HH12 ARG 19 HH12 ARG 19 3.608 -4.220 -12.021 152 HH21 ARG 19 HH21 ARG 19 3.205 -0.819 -11.696 153 HH22 ARG 19 HH22 ARG 19 3.579 -2.151 -12.743 154 H THR 20 H THR 20 3.420 0.417 -8.047 155 HA THR 20 HA THR 20 4.053 2.628 -6.113 156 HB THR 20 HB THR 20 3.120 2.859 -8.997 157 HG1 THR 20 HG1 THR 20 5.297 2.644 -8.869 158 HG21 THR 20 HG21 THR 20 1.969 4.577 -7.628 159 HG22 THR 20 HG22 THR 20 3.188 5.279 -8.681 160 HG23 THR 20 HG23 THR 20 3.538 5.070 -6.947 161 H TYR 21 H TYR 21 2.529 2.911 -4.684 162 HA TYR 21 HA TYR 21 -0.311 2.209 -5.256 163 HB2 TYR 21 HB2 TYR 21 0.691 2.651 -2.473 164 HB3 TYR 21 HB3 TYR 21 -0.552 1.566 -3.087 165 HD1 TYR 21 HD1 TYR 21 3.036 2.036 -2.436 166 HD2 TYR 21 HD2 TYR 21 0.041 -0.710 -3.881 167 HE1 TYR 21 HE1 TYR 21 4.676 0.182 -2.299 168 HE2 TYR 21 HE2 TYR 21 1.694 -2.569 -3.759 169 HH TYR 21 HH TYR 21 3.874 -3.147 -3.350 170 H ALA 22 H ALA 22 -1.840 3.601 -3.735 171 HA ALA 22 HA ALA 22 -1.683 6.320 -4.600 172 HB1 ALA 22 HB1 ALA 22 -3.793 5.128 -4.117 173 HB2 ALA 22 HB2 ALA 22 -3.373 5.063 -2.388 174 HB3 ALA 22 HB3 ALA 22 -3.665 6.626 -3.178 175 H ASN 23 H ASN 23 -0.986 4.910 -1.344 176 HA ASN 23 HA ASN 23 0.811 7.129 -0.750 177 HB2 ASN 23 HB2 ASN 23 -0.437 7.993 1.144 178 HB3 ASN 23 HB3 ASN 23 -1.473 8.040 -0.266 179 HD21 ASN 23 HD21 ASN 23 -2.983 8.267 1.673 180 HD22 ASN 23 HD22 ASN 23 -3.706 6.749 2.187 181 H SER 24 H SER 24 1.378 7.022 1.735 182 HA SER 24 HA SER 24 2.540 4.460 2.257 183 HB2 SER 24 HB2 SER 24 2.407 6.879 4.110 184 HB3 SER 24 HB3 SER 24 3.593 5.562 4.166 185 HG SER 24 HG SER 24 4.416 7.440 3.133 186 H CYS 25 H CYS 25 -0.540 4.946 2.649 187 HA CYS 25 HA CYS 25 -0.819 3.545 5.285 188 HB2 CYS 25 HB2 CYS 25 -1.995 5.646 5.213 189 HB3 CYS 25 HB3 CYS 25 -2.778 5.229 3.698 190 H ILE 26 H ILE 26 -1.864 3.522 1.832 191 HA ILE 26 HA ILE 26 -3.381 1.099 2.095 192 HB ILE 26 HB ILE 26 -3.553 3.016 0.320 193 HG12 ILE 26 HG12 ILE 26 -4.192 1.278 -1.507 194 HG13 ILE 26 HG13 ILE 26 -3.651 0.045 -0.364 195 HG21 ILE 26 HG21 ILE 26 -2.458 2.821 -1.730 196 HG22 ILE 26 HG22 ILE 26 -1.288 3.075 -0.434 197 HG23 ILE 26 HG23 ILE 26 -1.490 1.447 -1.151 198 HD11 ILE 26 HD11 ILE 26 -5.879 2.086 0.134 199 HD12 ILE 26 HD12 ILE 26 -6.115 0.382 -0.301 200 HD13 ILE 26 HD13 ILE 26 -5.393 0.800 1.262 201 H ALA 27 H ALA 27 -0.174 1.902 1.006 202 HA ALA 27 HA ALA 27 0.694 -0.498 -0.023 203 HB1 ALA 27 HB1 ALA 27 2.374 1.492 1.575 204 HB2 ALA 27 HB2 ALA 27 2.986 0.316 0.391 205 HB3 ALA 27 HB3 ALA 27 1.931 1.645 -0.134 206 H ARG 28 H ARG 28 1.014 0.564 3.309 207 HA ARG 28 HA ARG 28 2.190 -1.723 4.530 208 HB2 ARG 28 HB2 ARG 28 0.246 0.270 5.788 209 HB3 ARG 28 HB3 ARG 28 1.376 -0.786 6.633 210 HG2 ARG 28 HG2 ARG 28 3.262 0.408 5.367 211 HG3 ARG 28 HG3 ARG 28 2.049 1.580 4.825 212 HD2 ARG 28 HD2 ARG 28 2.740 0.935 7.726 213 HD3 ARG 28 HD3 ARG 28 3.329 2.339 6.820 214 HE ARG 28 HE ARG 28 0.666 2.653 6.548 215 HH11 ARG 28 HH11 ARG 28 2.664 2.376 9.389 216 HH12 ARG 28 HH12 ARG 28 1.540 3.253 10.391 217 HH21 ARG 28 HH21 ARG 28 -0.807 3.654 7.905 218 HH22 ARG 28 HH22 ARG 28 -0.361 3.971 9.551 219 H CYS 29 H CYS 29 -1.230 -0.994 3.926 220 HA CYS 29 HA CYS 29 -2.221 -3.317 5.407 221 HB2 CYS 29 HB2 CYS 29 -3.516 -1.243 5.145 222 HB3 CYS 29 HB3 CYS 29 -3.596 -1.486 3.402 223 H ASN 30 H ASN 30 -1.416 -2.607 2.041 224 HA ASN 30 HA ASN 30 -2.372 -5.029 0.853 225 HB2 ASN 30 HB2 ASN 30 -0.992 -2.608 0.045 226 HB3 ASN 30 HB3 ASN 30 -0.079 -3.960 -0.546 227 HD21 ASN 30 HD21 ASN 30 -3.249 -2.380 -0.599 228 HD22 ASN 30 HD22 ASN 30 -3.781 -3.184 -2.076 229 H GLY 31 H GLY 31 0.205 -4.678 3.044 230 HA2 GLY 31 HA2 GLY 31 1.350 -6.478 4.017 231 HA3 GLY 31 HA3 GLY 31 1.012 -7.486 2.616 232 H VAL 32 H VAL 32 2.364 -4.391 1.820 233 HA VAL 32 HA VAL 32 5.067 -5.544 1.371 234 HB VAL 32 HB VAL 32 4.736 -3.668 -0.586 235 HG11 VAL 32 HG11 VAL 32 4.056 -6.631 -0.789 236 HG12 VAL 32 HG12 VAL 32 4.537 -5.576 -2.139 237 HG13 VAL 32 HG13 VAL 32 5.690 -5.929 -0.845 238 HG21 VAL 32 HG21 VAL 32 2.329 -3.352 -0.237 239 HG22 VAL 32 HG22 VAL 32 2.658 -4.093 -1.806 240 HG23 VAL 32 HG23 VAL 32 2.055 -5.100 -0.498 241 H SER 33 H SER 33 6.804 -4.327 1.907 242 HA SER 33 HA SER 33 6.401 -1.864 3.448 243 HB2 SER 33 HB2 SER 33 8.927 -1.999 3.622 244 HB3 SER 33 HB3 SER 33 8.031 -3.363 4.307 245 HG SER 33 HG SER 33 9.793 -4.076 3.056 246 H ILE 34 H ILE 34 7.762 0.038 2.970 247 HA ILE 34 HA ILE 34 7.903 0.630 0.048 248 HB ILE 34 HB ILE 34 7.602 2.886 0.451 249 HG12 ILE 34 HG12 ILE 34 7.064 3.603 2.991 250 HG13 ILE 34 HG13 ILE 34 8.257 2.361 3.341 251 HG21 ILE 34 HG21 ILE 34 5.657 1.433 2.291 252 HG22 ILE 34 HG22 ILE 34 5.407 2.989 1.509 253 HG23 ILE 34 HG23 ILE 34 5.557 1.527 0.516 254 HD11 ILE 34 HD11 ILE 34 9.889 3.597 1.860 255 HD12 ILE 34 HD12 ILE 34 8.625 4.793 1.512 256 HD13 ILE 34 HD13 ILE 34 9.260 4.620 3.159 257 H LYS 35 H LYS 35 9.771 1.124 -0.895 258 HA LYS 35 HA LYS 35 12.301 0.934 0.649 259 HB2 LYS 35 HB2 LYS 35 11.425 0.613 -2.226 260 HB3 LYS 35 HB3 LYS 35 13.041 1.217 -1.949 261 HG2 LYS 35 HG2 LYS 35 11.940 -1.378 -0.802 262 HG3 LYS 35 HG3 LYS 35 12.992 -1.228 -2.221 263 HD2 LYS 35 HD2 LYS 35 14.421 0.140 -0.292 264 HD3 LYS 35 HD3 LYS 35 13.639 -1.093 0.690 265 HE2 LYS 35 HE2 LYS 35 15.369 -1.568 -1.790 266 HE3 LYS 35 HE3 LYS 35 15.926 -1.695 -0.123 267 HZ1 LYS 35 HZ1 LYS 35 15.372 -3.868 -0.989 268 HZ2 LYS 35 HZ2 LYS 35 13.849 -3.423 -1.357 269 HZ3 LYS 35 HZ3 LYS 35 14.327 -3.510 0.209 270 H SER 36 H SER 36 10.417 3.280 -1.200 271 HA SER 36 HA SER 36 11.800 5.461 0.114 272 HB2 SER 36 HB2 SER 36 13.315 4.788 -1.908 273 HB3 SER 36 HB3 SER 36 12.045 5.503 -2.911 274 HG SER 36 HG SER 36 13.718 6.712 -0.951 275 H GLU 37 H GLU 37 11.056 7.603 -0.818 276 HA GLU 37 HA GLU 37 8.114 7.649 -1.045 277 HB2 GLU 37 HB2 GLU 37 8.351 10.077 -0.788 278 HB3 GLU 37 HB3 GLU 37 9.124 9.183 0.519 279 HG2 GLU 37 HG2 GLU 37 11.351 9.554 -0.533 280 HG3 GLU 37 HG3 GLU 37 10.581 10.441 -1.850 281 H GLY 38 H GLY 38 6.936 8.688 -2.739 282 HA2 GLY 38 HA2 GLY 38 6.536 9.568 -4.830 283 HA3 GLY 38 HA3 GLY 38 8.257 9.533 -5.222 284 H SER 39 H SER 39 6.100 8.629 -6.922 285 HA SER 39 HA SER 39 5.801 5.822 -7.081 286 HB2 SER 39 HB2 SER 39 6.092 7.716 -9.435 287 HB3 SER 39 HB3 SER 39 5.206 6.188 -9.385 288 HG SER 39 HG SER 39 3.827 8.037 -9.182 289 H CYS 40 H CYS 40 7.044 4.185 -7.977 290 HA CYS 40 HA CYS 40 9.904 4.756 -8.337 291 HB2 CYS 40 HB2 CYS 40 8.375 2.480 -7.571 292 HB3 CYS 40 HB3 CYS 40 9.185 2.052 -9.067 293 HA PRO 41 HA PRO 41 9.696 5.283 -12.723 294 HB2 PRO 41 HB2 PRO 41 12.213 4.591 -13.567 295 HB3 PRO 41 HB3 PRO 41 11.864 6.059 -12.607 296 HG2 PRO 41 HG2 PRO 41 12.851 3.371 -11.604 297 HG3 PRO 41 HG3 PRO 41 13.494 5.001 -11.221 298 HD2 PRO 41 HD2 PRO 41 11.758 3.710 -9.567 299 HD3 PRO 41 HD3 PRO 41 11.672 5.480 -9.789 300 H THR 42 H THR 42 9.200 4.188 -14.603 301 HA THR 42 HA THR 42 8.758 1.306 -14.506 302 HB THR 42 HB THR 42 7.865 1.717 -16.846 303 HG1 THR 42 HG1 THR 42 7.559 3.915 -17.371 304 HG21 THR 42 HG21 THR 42 6.391 1.751 -14.861 305 HG22 THR 42 HG22 THR 42 5.867 2.916 -16.089 306 HG23 THR 42 HG23 THR 42 6.721 3.484 -14.637 307 H GLY 43 H GLY 43 11.455 3.042 -15.249 308 HA2 GLY 43 HA2 GLY 43 13.223 1.090 -15.754 309 HA3 GLY 43 HA3 GLY 43 12.560 1.286 -17.375 310 H ILE 44 H ILE 44 12.268 4.302 -16.684 311 HA ILE 44 HA ILE 44 15.041 5.259 -16.538 312 HB ILE 44 HB ILE 44 14.665 4.803 -18.920 313 HG12 ILE 44 HG12 ILE 44 14.839 7.800 -18.430 314 HG13 ILE 44 HG13 ILE 44 16.134 6.664 -18.035 315 HG21 ILE 44 HG21 ILE 44 12.504 6.958 -18.838 316 HG22 ILE 44 HG22 ILE 44 13.076 6.079 -20.267 317 HG23 ILE 44 HG23 ILE 44 12.196 5.219 -19.008 318 HD11 ILE 44 HD11 ILE 44 15.017 7.175 -20.821 319 HD12 ILE 44 HD12 ILE 44 16.592 7.671 -20.185 320 HD13 ILE 44 HD13 ILE 44 16.242 5.948 -20.415 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 -8.979 -6.273 -4.156 2 H2 LYS 1 H2 LYS 1 -10.189 -5.923 -5.201 3 H3 LYS 1 H3 LYS 1 -9.700 -4.811 -4.108 4 HA LYS 1 HA LYS 1 -11.781 -5.762 -3.373 5 HB2 LYS 1 HB2 LYS 1 -10.206 -8.369 -3.481 6 HB3 LYS 1 HB3 LYS 1 -11.759 -8.217 -2.683 7 HG2 LYS 1 HG2 LYS 1 -11.508 -7.516 -5.636 8 HG3 LYS 1 HG3 LYS 1 -11.567 -9.182 -5.101 9 HD2 LYS 1 HD2 LYS 1 -13.755 -8.587 -5.729 10 HD3 LYS 1 HD3 LYS 1 -13.746 -8.788 -3.978 11 HE2 LYS 1 HE2 LYS 1 -13.746 -6.336 -3.677 12 HE3 LYS 1 HE3 LYS 1 -13.600 -6.100 -5.429 13 HZ1 LYS 1 HZ1 LYS 1 -15.902 -5.876 -4.676 14 HZ2 LYS 1 HZ2 LYS 1 -15.911 -7.393 -4.075 15 HZ3 LYS 1 HZ3 LYS 1 -15.777 -7.150 -5.684 16 H LYS 2 H LYS 2 -12.234 -6.191 -1.110 17 HA LYS 2 HA LYS 2 -11.926 -5.568 1.095 18 HB2 LYS 2 HB2 LYS 2 -9.748 -7.640 0.665 19 HB3 LYS 2 HB3 LYS 2 -10.233 -7.053 2.260 20 HG2 LYS 2 HG2 LYS 2 -12.488 -7.843 1.995 21 HG3 LYS 2 HG3 LYS 2 -12.205 -8.303 0.307 22 HD2 LYS 2 HD2 LYS 2 -10.617 -10.020 0.963 23 HD3 LYS 2 HD3 LYS 2 -10.714 -9.527 2.668 24 HE2 LYS 2 HE2 LYS 2 -13.072 -10.146 2.772 25 HE3 LYS 2 HE3 LYS 2 -13.106 -10.494 1.040 26 HZ1 LYS 2 HZ1 LYS 2 -12.868 -12.520 2.376 27 HZ2 LYS 2 HZ2 LYS 2 -11.468 -11.987 3.022 28 HZ3 LYS 2 HZ3 LYS 2 -11.560 -12.321 1.424 29 H VAL 3 H VAL 3 -11.061 -3.556 -0.354 30 HA VAL 3 HA VAL 3 -8.386 -2.609 0.144 31 HB VAL 3 HB VAL 3 -10.804 -0.857 -0.400 32 HG11 VAL 3 HG11 VAL 3 -8.712 0.360 0.134 33 HG12 VAL 3 HG12 VAL 3 -7.868 -0.550 -1.145 34 HG13 VAL 3 HG13 VAL 3 -9.172 0.584 -1.550 35 HG21 VAL 3 HG21 VAL 3 -10.225 -1.089 -2.831 36 HG22 VAL 3 HG22 VAL 3 -9.088 -2.388 -2.409 37 HG23 VAL 3 HG23 VAL 3 -10.840 -2.587 -2.142 38 H CYS 4 H CYS 4 -7.564 -1.359 1.729 39 HA CYS 4 HA CYS 4 -8.969 -1.267 4.301 40 HB2 CYS 4 HB2 CYS 4 -6.207 -0.205 3.608 41 HB3 CYS 4 HB3 CYS 4 -6.855 -0.575 5.207 42 H ALA 5 H ALA 5 -9.430 0.597 5.528 43 HA ALA 5 HA ALA 5 -10.342 2.910 4.060 44 HB1 ALA 5 HB1 ALA 5 -11.559 2.015 5.981 45 HB2 ALA 5 HB2 ALA 5 -10.182 2.365 7.052 46 HB3 ALA 5 HB3 ALA 5 -11.072 3.694 6.276 47 H CYS 6 H CYS 6 -8.689 4.030 3.091 48 HA CYS 6 HA CYS 6 -6.728 5.441 4.805 49 HB2 CYS 6 HB2 CYS 6 -6.395 4.217 2.044 50 HB3 CYS 6 HB3 CYS 6 -5.250 5.325 2.763 51 HA PRO 7 HA PRO 7 -8.312 9.083 2.953 52 HB2 PRO 7 HB2 PRO 7 -6.285 10.851 3.203 53 HB3 PRO 7 HB3 PRO 7 -7.020 10.033 4.620 54 HG2 PRO 7 HG2 PRO 7 -4.497 9.227 3.147 55 HG3 PRO 7 HG3 PRO 7 -4.697 9.529 4.908 56 HD2 PRO 7 HD2 PRO 7 -4.889 7.031 3.871 57 HD3 PRO 7 HD3 PRO 7 -5.973 7.535 5.194 58 H LYS 8 H LYS 8 -8.094 10.752 1.289 59 HA LYS 8 HA LYS 8 -7.405 9.596 -1.286 60 HB2 LYS 8 HB2 LYS 8 -9.460 11.057 -0.535 61 HB3 LYS 8 HB3 LYS 8 -8.389 12.428 -0.849 62 HG2 LYS 8 HG2 LYS 8 -8.128 11.613 -3.218 63 HG3 LYS 8 HG3 LYS 8 -9.174 10.237 -2.837 64 HD2 LYS 8 HD2 LYS 8 -11.041 11.811 -2.357 65 HD3 LYS 8 HD3 LYS 8 -9.971 13.181 -2.740 66 HE2 LYS 8 HE2 LYS 8 -9.626 12.241 -5.031 67 HE3 LYS 8 HE3 LYS 8 -10.729 10.916 -4.644 68 HZ1 LYS 8 HZ1 LYS 8 -12.500 12.572 -4.342 69 HZ2 LYS 8 HZ2 LYS 8 -11.870 12.689 -5.842 70 HZ3 LYS 8 HZ3 LYS 8 -11.476 13.793 -4.709 71 H ILE 9 H ILE 9 -5.566 11.311 0.755 72 HA ILE 9 HA ILE 9 -4.242 13.325 -0.648 73 HB ILE 9 HB ILE 9 -2.804 11.497 1.269 74 HG12 ILE 9 HG12 ILE 9 -4.326 14.055 1.976 75 HG13 ILE 9 HG13 ILE 9 -4.976 12.441 2.233 76 HG21 ILE 9 HG21 ILE 9 -1.376 13.472 1.725 77 HG22 ILE 9 HG22 ILE 9 -1.307 13.043 0.036 78 HG23 ILE 9 HG23 ILE 9 -2.304 14.421 0.548 79 HD11 ILE 9 HD11 ILE 9 -4.099 13.194 4.321 80 HD12 ILE 9 HD12 ILE 9 -3.036 11.901 3.725 81 HD13 ILE 9 HD13 ILE 9 -2.533 13.604 3.611 82 H LEU 10 H LEU 10 -2.922 13.478 -2.151 83 HA LEU 10 HA LEU 10 -1.852 11.211 -3.742 84 HB2 LEU 10 HB2 LEU 10 -1.884 14.224 -4.162 85 HB3 LEU 10 HB3 LEU 10 -1.093 13.110 -5.271 86 HG LEU 10 HG LEU 10 -4.060 12.898 -4.593 87 HD11 LEU 10 HD11 LEU 10 -4.469 14.051 -6.733 88 HD12 LEU 10 HD12 LEU 10 -2.723 14.338 -6.921 89 HD13 LEU 10 HD13 LEU 10 -3.620 15.098 -5.587 90 HD21 LEU 10 HD21 LEU 10 -4.144 11.647 -6.730 91 HD22 LEU 10 HD22 LEU 10 -3.055 10.857 -5.585 92 HD23 LEU 10 HD23 LEU 10 -2.386 11.828 -6.916 93 H LYS 11 H LYS 11 -0.489 10.471 -1.998 94 HA LYS 11 HA LYS 11 2.228 11.714 -2.175 95 HB2 LYS 11 HB2 LYS 11 0.969 12.287 0.006 96 HB3 LYS 11 HB3 LYS 11 1.211 10.618 0.472 97 HG2 LYS 11 HG2 LYS 11 3.356 12.689 -0.197 98 HG3 LYS 11 HG3 LYS 11 2.872 12.167 1.416 99 HD2 LYS 11 HD2 LYS 11 3.748 9.869 0.923 100 HD3 LYS 11 HD3 LYS 11 4.243 10.432 -0.680 101 HE2 LYS 11 HE2 LYS 11 6.190 10.442 0.624 102 HE3 LYS 11 HE3 LYS 11 5.735 12.124 0.364 103 HZ1 LYS 11 HZ1 LYS 11 6.401 11.676 2.653 104 HZ2 LYS 11 HZ2 LYS 11 5.213 10.575 2.851 105 HZ3 LYS 11 HZ3 LYS 11 4.840 12.155 2.631 106 HA PRO 12 HA PRO 12 1.940 7.206 -3.200 107 HB2 PRO 12 HB2 PRO 12 3.406 7.221 -5.551 108 HB3 PRO 12 HB3 PRO 12 1.641 7.509 -5.454 109 HG2 PRO 12 HG2 PRO 12 3.871 9.543 -5.594 110 HG3 PRO 12 HG3 PRO 12 2.338 9.498 -6.524 111 HD2 PRO 12 HD2 PRO 12 2.626 11.058 -4.301 112 HD3 PRO 12 HD3 PRO 12 1.082 10.224 -4.650 113 H VAL 13 H VAL 13 3.633 5.606 -3.465 114 HA VAL 13 HA VAL 13 6.343 6.253 -2.499 115 HB VAL 13 HB VAL 13 6.160 4.651 -0.613 116 HG11 VAL 13 HG11 VAL 13 5.119 6.109 0.986 117 HG12 VAL 13 HG12 VAL 13 5.931 7.110 -0.224 118 HG13 VAL 13 HG13 VAL 13 4.167 6.921 -0.272 119 HG21 VAL 13 HG21 VAL 13 4.229 3.311 -1.201 120 HG22 VAL 13 HG22 VAL 13 3.890 4.132 0.328 121 HG23 VAL 13 HG23 VAL 13 3.156 4.730 -1.161 122 H CYS 14 H CYS 14 7.827 4.611 -2.869 123 HA CYS 14 HA CYS 14 6.953 2.618 -4.907 124 HB2 CYS 14 HB2 CYS 14 8.858 4.003 -5.512 125 HB3 CYS 14 HB3 CYS 14 9.730 3.520 -4.052 126 H GLY 15 H GLY 15 6.455 0.640 -4.322 127 HA2 GLY 15 HA2 GLY 15 7.070 -0.499 -1.706 128 HA3 GLY 15 HA3 GLY 15 6.237 -1.281 -3.048 129 H SER 16 H SER 16 8.108 -2.495 -1.358 130 HA SER 16 HA SER 16 10.657 -2.926 -2.465 131 HB2 SER 16 HB2 SER 16 9.780 -3.723 -0.257 132 HB3 SER 16 HB3 SER 16 8.920 -5.015 -1.112 133 HG SER 16 HG SER 16 11.743 -4.561 -0.995 134 H ASP 17 H ASP 17 7.582 -4.228 -3.585 135 HA ASP 17 HA ASP 17 8.707 -6.220 -5.418 136 HB2 ASP 17 HB2 ASP 17 5.945 -5.022 -5.007 137 HB3 ASP 17 HB3 ASP 17 6.301 -6.099 -6.352 138 H GLY 18 H GLY 18 8.154 -2.798 -5.601 139 HA2 GLY 18 HA2 GLY 18 9.435 -1.519 -7.198 140 HA3 GLY 18 HA3 GLY 18 9.089 -2.734 -8.437 141 H ARG 19 H ARG 19 6.283 -2.535 -6.992 142 HA ARG 19 HA ARG 19 5.003 -0.744 -8.898 143 HB2 ARG 19 HB2 ARG 19 4.214 -2.999 -7.715 144 HB3 ARG 19 HB3 ARG 19 3.685 -1.923 -6.431 145 HG2 ARG 19 HG2 ARG 19 2.295 -0.668 -8.152 146 HG3 ARG 19 HG3 ARG 19 2.881 -1.794 -9.384 147 HD2 ARG 19 HD2 ARG 19 1.844 -3.673 -8.004 148 HD3 ARG 19 HD3 ARG 19 1.137 -2.427 -6.976 149 HE ARG 19 HE ARG 19 -0.334 -1.783 -8.694 150 HH11 ARG 19 HH11 ARG 19 1.775 -4.274 -9.956 151 HH12 ARG 19 HH12 ARG 19 0.806 -4.498 -11.386 152 HH21 ARG 19 HH21 ARG 19 -1.517 -2.105 -10.538 153 HH22 ARG 19 HH22 ARG 19 -1.007 -3.295 -11.697 154 H THR 20 H THR 20 3.635 0.967 -8.283 155 HA THR 20 HA THR 20 4.243 2.399 -5.716 156 HB THR 20 HB THR 20 4.944 3.693 -7.666 157 HG1 THR 20 HG1 THR 20 2.692 4.882 -6.439 158 HG21 THR 20 HG21 THR 20 3.254 3.077 -9.356 159 HG22 THR 20 HG22 THR 20 3.308 4.830 -9.092 160 HG23 THR 20 HG23 THR 20 1.989 3.881 -8.395 161 H TYR 21 H TYR 21 2.548 3.261 -4.501 162 HA TYR 21 HA TYR 21 -0.240 2.523 -5.217 163 HB2 TYR 21 HB2 TYR 21 0.657 2.449 -2.356 164 HB3 TYR 21 HB3 TYR 21 -0.626 1.575 -3.180 165 HD1 TYR 21 HD1 TYR 21 -0.129 -0.534 -4.435 166 HD2 TYR 21 HD2 TYR 21 2.924 1.624 -2.284 167 HE1 TYR 21 HE1 TYR 21 1.400 -2.510 -4.592 168 HE2 TYR 21 HE2 TYR 21 4.419 -0.323 -2.422 169 HH TYR 21 HH TYR 21 4.634 -2.544 -3.108 170 H ALA 22 H ALA 22 -1.778 3.707 -3.567 171 HA ALA 22 HA ALA 22 -1.694 6.439 -4.138 172 HB1 ALA 22 HB1 ALA 22 -3.602 6.612 -2.601 173 HB2 ALA 22 HB2 ALA 22 -3.731 5.151 -3.596 174 HB3 ALA 22 HB3 ALA 22 -3.216 5.031 -1.897 175 H ASN 23 H ASN 23 -0.913 4.961 -0.952 176 HA ASN 23 HA ASN 23 1.088 6.903 -0.343 177 HB2 ASN 23 HB2 ASN 23 0.072 8.040 1.498 178 HB3 ASN 23 HB3 ASN 23 -1.064 8.179 0.180 179 HD21 ASN 23 HD21 ASN 23 -1.711 8.522 2.937 180 HD22 ASN 23 HD22 ASN 23 -2.845 7.240 3.331 181 H SER 24 H SER 24 1.561 6.660 2.226 182 HA SER 24 HA SER 24 2.644 4.067 2.579 183 HB2 SER 24 HB2 SER 24 3.414 6.137 3.750 184 HB3 SER 24 HB3 SER 24 1.949 6.094 4.745 185 HG SER 24 HG SER 24 4.092 4.216 4.664 186 H CYS 25 H CYS 25 -0.468 5.334 3.750 187 HA CYS 25 HA CYS 25 -1.171 3.301 5.591 188 HB2 CYS 25 HB2 CYS 25 -2.324 5.420 5.473 189 HB3 CYS 25 HB3 CYS 25 -2.871 5.098 3.830 190 H ILE 26 H ILE 26 -1.773 3.475 2.036 191 HA ILE 26 HA ILE 26 -3.240 0.962 2.092 192 HB ILE 26 HB ILE 26 -3.476 2.969 0.420 193 HG12 ILE 26 HG12 ILE 26 -4.086 1.222 -1.414 194 HG13 ILE 26 HG13 ILE 26 -3.511 0.015 -0.257 195 HG21 ILE 26 HG21 ILE 26 -2.413 2.725 -1.716 196 HG22 ILE 26 HG22 ILE 26 -1.229 3.076 -0.466 197 HG23 ILE 26 HG23 ILE 26 -1.389 1.417 -1.098 198 HD11 ILE 26 HD11 ILE 26 -5.804 1.999 0.165 199 HD12 ILE 26 HD12 ILE 26 -5.957 0.261 -0.154 200 HD13 ILE 26 HD13 ILE 26 -5.264 0.812 1.375 201 H ALA 27 H ALA 27 -0.055 2.033 1.119 202 HA ALA 27 HA ALA 27 0.969 -0.342 0.117 203 HB1 ALA 27 HB1 ALA 27 3.190 0.616 0.493 204 HB2 ALA 27 HB2 ALA 27 2.063 1.874 -0.051 205 HB3 ALA 27 HB3 ALA 27 2.523 1.777 1.660 206 H ARG 28 H ARG 28 1.207 0.791 3.475 207 HA ARG 28 HA ARG 28 2.419 -1.496 4.698 208 HB2 ARG 28 HB2 ARG 28 0.460 0.573 5.802 209 HB3 ARG 28 HB3 ARG 28 1.316 -0.587 6.800 210 HG2 ARG 28 HG2 ARG 28 3.189 0.928 5.086 211 HG3 ARG 28 HG3 ARG 28 2.164 1.994 6.042 212 HD2 ARG 28 HD2 ARG 28 4.224 1.530 7.227 213 HD3 ARG 28 HD3 ARG 28 2.828 0.890 8.109 214 HE ARG 28 HE ARG 28 3.957 -1.163 6.437 215 HH11 ARG 28 HH11 ARG 28 4.740 0.523 9.393 216 HH12 ARG 28 HH12 ARG 28 5.624 -0.829 10.046 217 HH21 ARG 28 HH21 ARG 28 5.061 -2.871 7.329 218 HH22 ARG 28 HH22 ARG 28 5.799 -2.696 8.892 219 H CYS 29 H CYS 29 -1.023 -0.810 4.024 220 HA CYS 29 HA CYS 29 -1.952 -3.112 5.543 221 HB2 CYS 29 HB2 CYS 29 -3.159 -0.873 4.962 222 HB3 CYS 29 HB3 CYS 29 -3.570 -1.667 3.442 223 H ASN 30 H ASN 30 -1.060 -2.535 2.198 224 HA ASN 30 HA ASN 30 -2.020 -4.984 1.050 225 HB2 ASN 30 HB2 ASN 30 -0.660 -2.591 0.186 226 HB3 ASN 30 HB3 ASN 30 0.344 -3.929 -0.276 227 HD21 ASN 30 HD21 ASN 30 -2.950 -2.600 -0.505 228 HD22 ASN 30 HD22 ASN 30 -3.330 -3.433 -2.010 229 H GLY 31 H GLY 31 0.522 -4.556 3.290 230 HA2 GLY 31 HA2 GLY 31 1.714 -6.277 4.320 231 HA3 GLY 31 HA3 GLY 31 1.304 -7.374 3.009 232 H VAL 32 H VAL 32 2.743 -4.334 2.079 233 HA VAL 32 HA VAL 32 5.371 -5.659 1.556 234 HB VAL 32 HB VAL 32 5.033 -3.488 -0.250 235 HG11 VAL 32 HG11 VAL 32 5.258 -5.237 -1.954 236 HG12 VAL 32 HG12 VAL 32 6.383 -5.516 -0.615 237 HG13 VAL 32 HG13 VAL 32 4.896 -6.485 -0.743 238 HG21 VAL 32 HG21 VAL 32 2.615 -3.572 -0.053 239 HG22 VAL 32 HG22 VAL 32 3.134 -4.156 -1.636 240 HG23 VAL 32 HG23 VAL 32 2.618 -5.323 -0.416 241 H SER 33 H SER 33 7.262 -4.435 1.710 242 HA SER 33 HA SER 33 7.217 -2.125 3.531 243 HB2 SER 33 HB2 SER 33 9.545 -3.262 1.926 244 HB3 SER 33 HB3 SER 33 9.637 -2.188 3.322 245 HG SER 33 HG SER 33 8.695 -3.886 4.591 246 H ILE 34 H ILE 34 8.076 -0.037 2.951 247 HA ILE 34 HA ILE 34 8.013 0.624 0.043 248 HB ILE 34 HB ILE 34 7.446 2.830 0.479 249 HG12 ILE 34 HG12 ILE 34 6.601 3.283 3.029 250 HG13 ILE 34 HG13 ILE 34 8.010 2.289 3.370 251 HG21 ILE 34 HG21 ILE 34 5.597 1.015 2.069 252 HG22 ILE 34 HG22 ILE 34 5.176 2.554 1.312 253 HG23 ILE 34 HG23 ILE 34 5.647 1.181 0.297 254 HD11 ILE 34 HD11 ILE 34 8.573 4.692 3.343 255 HD12 ILE 34 HD12 ILE 34 9.399 3.896 1.991 256 HD13 ILE 34 HD13 ILE 34 7.935 4.853 1.695 257 H LYS 35 H LYS 35 9.715 1.198 -0.902 258 HA LYS 35 HA LYS 35 12.303 1.005 0.516 259 HB2 LYS 35 HB2 LYS 35 11.428 -0.289 -1.585 260 HB3 LYS 35 HB3 LYS 35 11.874 1.157 -2.491 261 HG2 LYS 35 HG2 LYS 35 14.212 0.893 -1.836 262 HG3 LYS 35 HG3 LYS 35 13.786 -0.360 -0.649 263 HD2 LYS 35 HD2 LYS 35 12.968 -1.834 -2.454 264 HD3 LYS 35 HD3 LYS 35 13.401 -0.603 -3.664 265 HE2 LYS 35 HE2 LYS 35 15.784 -0.761 -2.932 266 HE3 LYS 35 HE3 LYS 35 15.332 -2.001 -1.756 267 HZ1 LYS 35 HZ1 LYS 35 15.031 -2.255 -4.704 268 HZ2 LYS 35 HZ2 LYS 35 14.595 -3.400 -3.620 269 HZ3 LYS 35 HZ3 LYS 35 16.166 -3.003 -3.802 270 H SER 36 H SER 36 10.433 3.357 -1.232 271 HA SER 36 HA SER 36 11.760 5.526 0.056 272 HB2 SER 36 HB2 SER 36 13.334 5.095 -1.933 273 HB3 SER 36 HB3 SER 36 12.011 5.650 -2.974 274 HG SER 36 HG SER 36 13.508 7.327 -2.321 275 H GLU 37 H GLU 37 10.821 7.678 -0.890 276 HA GLU 37 HA GLU 37 7.883 7.384 -1.200 277 HB2 GLU 37 HB2 GLU 37 7.739 9.747 -0.735 278 HB3 GLU 37 HB3 GLU 37 8.611 8.896 0.540 279 HG2 GLU 37 HG2 GLU 37 10.759 9.737 -0.333 280 HG3 GLU 37 HG3 GLU 37 9.929 10.505 -1.691 281 H GLY 38 H GLY 38 6.727 8.776 -2.729 282 HA2 GLY 38 HA2 GLY 38 6.307 9.676 -4.807 283 HA3 GLY 38 HA3 GLY 38 8.022 9.604 -5.230 284 H SER 39 H SER 39 6.123 8.830 -7.074 285 HA SER 39 HA SER 39 5.766 5.962 -7.181 286 HB2 SER 39 HB2 SER 39 5.926 7.911 -9.501 287 HB3 SER 39 HB3 SER 39 5.203 6.299 -9.518 288 HG SER 39 HG SER 39 3.672 7.053 -7.967 289 H CYS 40 H CYS 40 7.051 4.391 -8.071 290 HA CYS 40 HA CYS 40 9.886 4.955 -8.295 291 HB2 CYS 40 HB2 CYS 40 8.234 2.650 -7.873 292 HB3 CYS 40 HB3 CYS 40 9.209 2.331 -9.289 293 HA PRO 41 HA PRO 41 10.018 5.671 -12.695 294 HB2 PRO 41 HB2 PRO 41 12.629 5.137 -13.301 295 HB3 PRO 41 HB3 PRO 41 12.136 6.525 -12.285 296 HG2 PRO 41 HG2 PRO 41 13.090 3.796 -11.364 297 HG3 PRO 41 HG3 PRO 41 13.676 5.405 -10.830 298 HD2 PRO 41 HD2 PRO 41 11.808 4.002 -9.415 299 HD3 PRO 41 HD3 PRO 41 11.728 5.780 -9.538 300 H THR 42 H THR 42 10.259 4.637 -14.757 301 HA THR 42 HA THR 42 9.422 1.868 -14.790 302 HB THR 42 HB THR 42 8.590 3.659 -16.314 303 HG1 THR 42 HG1 THR 42 8.219 1.531 -16.843 304 HG21 THR 42 HG21 THR 42 9.791 4.212 -18.351 305 HG22 THR 42 HG22 THR 42 11.186 3.236 -17.856 306 HG23 THR 42 HG23 THR 42 10.755 4.709 -16.953 307 H GLY 43 H GLY 43 12.487 3.211 -14.835 308 HA2 GLY 43 HA2 GLY 43 13.856 0.633 -15.182 309 HA3 GLY 43 HA3 GLY 43 14.138 1.768 -16.505 310 H ILE 44 H ILE 44 14.408 1.331 -13.018 311 HA ILE 44 HA ILE 44 16.064 3.594 -12.397 312 HB ILE 44 HB ILE 44 14.613 2.095 -10.896 313 HG12 ILE 44 HG12 ILE 44 15.726 4.022 -10.043 314 HG13 ILE 44 HG13 ILE 44 15.714 2.700 -8.891 315 HG21 ILE 44 HG21 ILE 44 15.664 -0.063 -11.366 316 HG22 ILE 44 HG22 ILE 44 17.162 0.484 -10.592 317 HG23 ILE 44 HG23 ILE 44 15.675 0.333 -9.640 318 HD11 ILE 44 HD11 ILE 44 18.105 3.740 -10.448 319 HD12 ILE 44 HD12 ILE 44 17.816 3.816 -8.713 320 HD13 ILE 44 HD13 ILE 44 18.144 2.250 -9.470 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 -12.042 -0.267 -6.807 2 H2 LYS 1 H2 LYS 1 -13.300 0.780 -6.739 3 H3 LYS 1 H3 LYS 1 -11.781 1.297 -6.421 4 HA LYS 1 HA LYS 1 -12.975 1.081 -4.353 5 HB2 LYS 1 HB2 LYS 1 -13.446 -1.735 -5.399 6 HB3 LYS 1 HB3 LYS 1 -13.509 -1.393 -3.678 7 HG2 LYS 1 HG2 LYS 1 -15.221 0.116 -5.699 8 HG3 LYS 1 HG3 LYS 1 -15.726 -1.375 -4.900 9 HD2 LYS 1 HD2 LYS 1 -15.462 -0.336 -2.683 10 HD3 LYS 1 HD3 LYS 1 -14.979 1.196 -3.417 11 HE2 LYS 1 HE2 LYS 1 -17.649 -0.192 -3.936 12 HE3 LYS 1 HE3 LYS 1 -17.400 1.000 -2.660 13 HZ1 LYS 1 HZ1 LYS 1 -16.785 2.627 -4.366 14 HZ2 LYS 1 HZ2 LYS 1 -18.284 2.053 -4.638 15 HZ3 LYS 1 HZ3 LYS 1 -17.046 1.538 -5.561 16 H LYS 2 H LYS 2 -11.983 0.356 -2.403 17 HA LYS 2 HA LYS 2 -9.118 -0.506 -2.705 18 HB2 LYS 2 HB2 LYS 2 -10.420 1.319 -0.630 19 HB3 LYS 2 HB3 LYS 2 -8.731 0.803 -0.613 20 HG2 LYS 2 HG2 LYS 2 -8.365 1.899 -2.811 21 HG3 LYS 2 HG3 LYS 2 -10.039 2.487 -2.788 22 HD2 LYS 2 HD2 LYS 2 -9.571 3.666 -0.633 23 HD3 LYS 2 HD3 LYS 2 -7.877 3.178 -0.742 24 HE2 LYS 2 HE2 LYS 2 -9.381 4.877 -2.793 25 HE3 LYS 2 HE3 LYS 2 -8.341 5.520 -1.520 26 HZ1 LYS 2 HZ1 LYS 2 -7.134 5.350 -3.602 27 HZ2 LYS 2 HZ2 LYS 2 -7.429 3.754 -3.732 28 HZ3 LYS 2 HZ3 LYS 2 -6.469 4.315 -2.528 29 H VAL 3 H VAL 3 -8.219 -1.522 -0.778 30 HA VAL 3 HA VAL 3 -10.110 -3.434 0.536 31 HB VAL 3 HB VAL 3 -7.153 -3.938 0.082 32 HG11 VAL 3 HG11 VAL 3 -9.519 -5.808 0.592 33 HG12 VAL 3 HG12 VAL 3 -7.874 -6.343 0.186 34 HG13 VAL 3 HG13 VAL 3 -8.158 -5.499 1.696 35 HG21 VAL 3 HG21 VAL 3 -8.102 -3.636 -2.157 36 HG22 VAL 3 HG22 VAL 3 -7.828 -5.347 -1.873 37 HG23 VAL 3 HG23 VAL 3 -9.475 -4.692 -1.748 38 H CYS 4 H CYS 4 -8.623 -0.721 1.268 39 HA CYS 4 HA CYS 4 -8.644 -1.245 4.159 40 HB2 CYS 4 HB2 CYS 4 -6.228 -1.474 2.928 41 HB3 CYS 4 HB3 CYS 4 -6.233 0.259 3.226 42 H ALA 5 H ALA 5 -9.106 0.584 5.388 43 HA ALA 5 HA ALA 5 -10.253 2.891 3.998 44 HB1 ALA 5 HB1 ALA 5 -10.965 3.541 6.267 45 HB2 ALA 5 HB2 ALA 5 -11.413 1.866 5.891 46 HB3 ALA 5 HB3 ALA 5 -10.029 2.197 6.957 47 H CYS 6 H CYS 6 -8.605 4.093 3.057 48 HA CYS 6 HA CYS 6 -6.675 5.428 4.861 49 HB2 CYS 6 HB2 CYS 6 -6.282 4.378 2.037 50 HB3 CYS 6 HB3 CYS 6 -5.170 5.458 2.847 51 HA PRO 7 HA PRO 7 -8.227 9.200 3.206 52 HB2 PRO 7 HB2 PRO 7 -6.035 10.860 3.368 53 HB3 PRO 7 HB3 PRO 7 -6.952 10.241 4.780 54 HG2 PRO 7 HG2 PRO 7 -4.378 9.169 3.622 55 HG3 PRO 7 HG3 PRO 7 -4.766 9.518 5.336 56 HD2 PRO 7 HD2 PRO 7 -4.949 7.022 4.293 57 HD3 PRO 7 HD3 PRO 7 -6.145 7.582 5.491 58 H LYS 8 H LYS 8 -8.126 10.791 1.520 59 HA LYS 8 HA LYS 8 -7.454 9.702 -1.065 60 HB2 LYS 8 HB2 LYS 8 -9.516 11.093 -0.251 61 HB3 LYS 8 HB3 LYS 8 -8.467 12.492 -0.433 62 HG2 LYS 8 HG2 LYS 8 -9.073 12.587 -2.595 63 HG3 LYS 8 HG3 LYS 8 -8.221 11.067 -2.881 64 HD2 LYS 8 HD2 LYS 8 -10.301 9.814 -2.277 65 HD3 LYS 8 HD3 LYS 8 -11.155 11.370 -2.140 66 HE2 LYS 8 HE2 LYS 8 -10.555 11.891 -4.501 67 HE3 LYS 8 HE3 LYS 8 -9.707 10.346 -4.628 68 HZ1 LYS 8 HZ1 LYS 8 -12.621 10.659 -4.135 69 HZ2 LYS 8 HZ2 LYS 8 -11.842 9.224 -4.222 70 HZ3 LYS 8 HZ3 LYS 8 -11.943 10.181 -5.539 71 H ILE 9 H ILE 9 -5.561 11.367 0.975 72 HA ILE 9 HA ILE 9 -4.238 13.364 -0.435 73 HB ILE 9 HB ILE 9 -3.904 13.050 1.888 74 HG12 ILE 9 HG12 ILE 9 -1.228 12.854 0.464 75 HG13 ILE 9 HG13 ILE 9 -2.244 14.297 0.513 76 HG21 ILE 9 HG21 ILE 9 -3.741 10.501 1.877 77 HG22 ILE 9 HG22 ILE 9 -2.069 10.676 1.322 78 HG23 ILE 9 HG23 ILE 9 -2.559 11.310 2.908 79 HD11 ILE 9 HD11 ILE 9 -0.493 14.505 2.163 80 HD12 ILE 9 HD12 ILE 9 -2.048 14.335 3.002 81 HD13 ILE 9 HD13 ILE 9 -0.921 12.958 2.906 82 H LEU 10 H LEU 10 -2.846 13.584 -1.845 83 HA LEU 10 HA LEU 10 -2.117 11.335 -3.643 84 HB2 LEU 10 HB2 LEU 10 -1.861 14.340 -4.042 85 HB3 LEU 10 HB3 LEU 10 -1.637 13.104 -5.278 86 HG LEU 10 HG LEU 10 -4.262 13.723 -3.838 87 HD11 LEU 10 HD11 LEU 10 -4.970 14.658 -5.980 88 HD12 LEU 10 HD12 LEU 10 -3.376 14.308 -6.689 89 HD13 LEU 10 HD13 LEU 10 -3.535 15.502 -5.380 90 HD21 LEU 10 HD21 LEU 10 -4.225 11.371 -4.526 91 HD22 LEU 10 HD22 LEU 10 -3.671 11.828 -6.155 92 HD23 LEU 10 HD23 LEU 10 -5.292 12.290 -5.588 93 H LYS 11 H LYS 11 -0.578 10.508 -2.011 94 HA LYS 11 HA LYS 11 2.153 11.705 -2.318 95 HB2 LYS 11 HB2 LYS 11 0.633 11.204 0.220 96 HB3 LYS 11 HB3 LYS 11 2.338 10.819 0.242 97 HG2 LYS 11 HG2 LYS 11 1.299 13.525 -0.653 98 HG3 LYS 11 HG3 LYS 11 1.731 13.149 1.010 99 HD2 LYS 11 HD2 LYS 11 3.679 12.931 -1.335 100 HD3 LYS 11 HD3 LYS 11 3.528 14.330 -0.273 101 HE2 LYS 11 HE2 LYS 11 4.125 12.954 1.687 102 HE3 LYS 11 HE3 LYS 11 4.256 11.518 0.665 103 HZ1 LYS 11 HZ1 LYS 11 6.436 12.539 1.056 104 HZ2 LYS 11 HZ2 LYS 11 5.955 13.941 0.385 105 HZ3 LYS 11 HZ3 LYS 11 6.089 12.592 -0.523 106 HA PRO 12 HA PRO 12 1.921 7.216 -3.357 107 HB2 PRO 12 HB2 PRO 12 3.366 7.300 -5.725 108 HB3 PRO 12 HB3 PRO 12 1.597 7.546 -5.604 109 HG2 PRO 12 HG2 PRO 12 3.783 9.644 -5.705 110 HG3 PRO 12 HG3 PRO 12 2.256 9.584 -6.646 111 HD2 PRO 12 HD2 PRO 12 2.477 11.102 -4.414 112 HD3 PRO 12 HD3 PRO 12 0.967 10.205 -4.759 113 H VAL 13 H VAL 13 3.603 5.648 -3.577 114 HA VAL 13 HA VAL 13 6.327 6.312 -2.618 115 HB VAL 13 HB VAL 13 6.097 4.676 -0.759 116 HG11 VAL 13 HG11 VAL 13 4.986 6.106 0.827 117 HG12 VAL 13 HG12 VAL 13 5.838 7.131 -0.335 118 HG13 VAL 13 HG13 VAL 13 4.080 6.931 -0.452 119 HG21 VAL 13 HG21 VAL 13 4.184 3.348 -1.447 120 HG22 VAL 13 HG22 VAL 13 3.800 4.123 0.095 121 HG23 VAL 13 HG23 VAL 13 3.104 4.762 -1.394 122 H CYS 14 H CYS 14 7.820 4.545 -2.830 123 HA CYS 14 HA CYS 14 6.973 2.556 -4.897 124 HB2 CYS 14 HB2 CYS 14 8.856 3.922 -5.563 125 HB3 CYS 14 HB3 CYS 14 9.744 3.494 -4.095 126 H GLY 15 H GLY 15 6.434 0.619 -4.232 127 HA2 GLY 15 HA2 GLY 15 7.016 -0.537 -1.629 128 HA3 GLY 15 HA3 GLY 15 6.275 -1.332 -3.010 129 H SER 16 H SER 16 8.068 -2.559 -1.277 130 HA SER 16 HA SER 16 10.706 -2.862 -2.160 131 HB2 SER 16 HB2 SER 16 9.686 -3.845 -0.116 132 HB3 SER 16 HB3 SER 16 8.879 -5.056 -1.125 133 HG SER 16 HG SER 16 11.699 -4.652 -0.824 134 H ASP 17 H ASP 17 7.801 -4.174 -3.646 135 HA ASP 17 HA ASP 17 9.209 -5.911 -5.571 136 HB2 ASP 17 HB2 ASP 17 6.318 -5.151 -5.066 137 HB3 ASP 17 HB3 ASP 17 6.785 -5.983 -6.542 138 H GLY 18 H GLY 18 8.536 -2.560 -5.458 139 HA2 GLY 18 HA2 GLY 18 9.435 -1.001 -6.993 140 HA3 GLY 18 HA3 GLY 18 9.364 -2.199 -8.287 141 H ARG 19 H ARG 19 6.507 -2.440 -6.783 142 HA ARG 19 HA ARG 19 4.906 -0.978 -8.710 143 HB2 ARG 19 HB2 ARG 19 4.439 -3.172 -7.333 144 HB3 ARG 19 HB3 ARG 19 4.051 -2.085 -6.024 145 HG2 ARG 19 HG2 ARG 19 2.000 -2.710 -6.953 146 HG3 ARG 19 HG3 ARG 19 2.218 -1.076 -7.542 147 HD2 ARG 19 HD2 ARG 19 2.975 -3.560 -9.145 148 HD3 ARG 19 HD3 ARG 19 1.342 -2.893 -9.156 149 HE ARG 19 HE ARG 19 2.560 -0.700 -9.934 150 HH11 ARG 19 HH11 ARG 19 3.084 -3.932 -11.141 151 HH12 ARG 19 HH12 ARG 19 3.578 -3.361 -12.710 152 HH21 ARG 19 HH21 ARG 19 3.307 -0.025 -11.912 153 HH22 ARG 19 HH22 ARG 19 3.689 -1.210 -13.120 154 H THR 20 H THR 20 3.440 0.645 -8.186 155 HA THR 20 HA THR 20 4.085 2.517 -5.921 156 HB THR 20 HB THR 20 2.881 3.205 -8.633 157 HG1 THR 20 HG1 THR 20 5.080 2.820 -8.736 158 HG21 THR 20 HG21 THR 20 3.186 5.558 -7.918 159 HG22 THR 20 HG22 THR 20 3.676 4.998 -6.300 160 HG23 THR 20 HG23 THR 20 2.020 4.733 -6.902 161 H TYR 21 H TYR 21 2.485 3.138 -4.586 162 HA TYR 21 HA TYR 21 -0.338 2.452 -5.195 163 HB2 TYR 21 HB2 TYR 21 0.585 2.406 -2.366 164 HB3 TYR 21 HB3 TYR 21 -0.649 1.460 -3.192 165 HD1 TYR 21 HD2 TYR 21 -0.052 -0.695 -4.302 166 HD2 TYR 21 HD1 TYR 21 2.892 1.723 -2.289 167 HE1 TYR 21 HE2 TYR 21 1.553 -2.604 -4.342 168 HE2 TYR 21 HE1 TYR 21 4.474 -0.183 -2.295 169 HH TYR 21 HH TYR 21 3.658 -3.331 -3.802 170 H ALA 22 H ALA 22 -1.812 3.716 -3.601 171 HA ALA 22 HA ALA 22 -1.635 6.438 -4.207 172 HB1 ALA 22 HB1 ALA 22 -3.715 5.220 -3.682 173 HB2 ALA 22 HB2 ALA 22 -3.225 5.098 -1.973 174 HB3 ALA 22 HB3 ALA 22 -3.557 6.685 -2.695 175 H ASN 23 H ASN 23 -0.880 4.964 -1.030 176 HA ASN 23 HA ASN 23 1.135 6.904 -0.420 177 HB2 ASN 23 HB2 ASN 23 0.128 7.968 1.490 178 HB3 ASN 23 HB3 ASN 23 -0.971 8.186 0.148 179 HD21 ASN 23 HD21 ASN 23 -1.872 8.558 2.710 180 HD22 ASN 23 HD22 ASN 23 -2.976 7.244 3.094 181 H SER 24 H SER 24 1.607 6.602 2.184 182 HA SER 24 HA SER 24 2.694 3.983 2.442 183 HB2 SER 24 HB2 SER 24 3.138 4.687 4.805 184 HB3 SER 24 HB3 SER 24 3.690 5.848 3.583 185 HG SER 24 HG SER 24 2.574 6.917 5.260 186 H CYS 25 H CYS 25 -0.358 5.308 3.671 187 HA CYS 25 HA CYS 25 -1.059 3.282 5.526 188 HB2 CYS 25 HB2 CYS 25 -2.188 5.407 5.454 189 HB3 CYS 25 HB3 CYS 25 -2.754 5.127 3.811 190 H ILE 26 H ILE 26 -1.748 3.473 1.991 191 HA ILE 26 HA ILE 26 -3.234 0.974 2.064 192 HB ILE 26 HB ILE 26 -3.462 3.003 0.412 193 HG12 ILE 26 HG12 ILE 26 -4.140 1.266 -1.430 194 HG13 ILE 26 HG13 ILE 26 -3.595 0.049 -0.266 195 HG21 ILE 26 HG21 ILE 26 -1.450 1.408 -1.151 196 HG22 ILE 26 HG22 ILE 26 -2.446 2.754 -1.741 197 HG23 ILE 26 HG23 ILE 26 -1.232 3.056 -0.503 198 HD11 ILE 26 HD11 ILE 26 -5.801 2.119 0.196 199 HD12 ILE 26 HD12 ILE 26 -6.053 0.400 -0.175 200 HD13 ILE 26 HD13 ILE 26 -5.300 0.873 1.356 201 H ALA 27 H ALA 27 -0.045 2.019 1.075 202 HA ALA 27 HA ALA 27 0.959 -0.353 0.043 203 HB1 ALA 27 HB1 ALA 27 2.083 1.858 -0.077 204 HB2 ALA 27 HB2 ALA 27 2.542 1.715 1.630 205 HB3 ALA 27 HB3 ALA 27 3.192 0.571 0.439 206 H ARG 28 H ARG 28 1.228 0.739 3.416 207 HA ARG 28 HA ARG 28 2.427 -1.594 4.580 208 HB2 ARG 28 HB2 ARG 28 0.522 0.463 5.792 209 HB3 ARG 28 HB3 ARG 28 1.449 -0.697 6.726 210 HG2 ARG 28 HG2 ARG 28 3.189 0.904 4.938 211 HG3 ARG 28 HG3 ARG 28 2.199 1.909 5.990 212 HD2 ARG 28 HD2 ARG 28 4.299 1.513 7.056 213 HD3 ARG 28 HD3 ARG 28 3.016 0.712 7.976 214 HE ARG 28 HE ARG 28 4.096 -1.200 6.175 215 HH11 ARG 28 HH11 ARG 28 5.249 0.575 8.952 216 HH12 ARG 28 HH12 ARG 28 6.385 -0.668 9.400 217 HH21 ARG 28 HH21 ARG 28 5.522 -2.776 6.814 218 HH22 ARG 28 HH22 ARG 28 6.530 -2.513 8.206 219 H CYS 29 H CYS 29 -0.993 -0.824 3.952 220 HA CYS 29 HA CYS 29 -1.992 -3.113 5.456 221 HB2 CYS 29 HB2 CYS 29 -3.116 -0.889 5.128 222 HB3 CYS 29 HB3 CYS 29 -3.442 -1.346 3.457 223 H ASN 30 H ASN 30 -1.055 -2.532 2.128 224 HA ASN 30 HA ASN 30 -2.066 -4.963 0.961 225 HB2 ASN 30 HB2 ASN 30 -0.600 -2.610 0.127 226 HB3 ASN 30 HB3 ASN 30 0.348 -3.992 -0.322 227 HD21 ASN 30 HD21 ASN 30 -2.833 -2.460 -0.654 228 HD22 ASN 30 HD22 ASN 30 -3.240 -3.308 -2.145 229 H GLY 31 H GLY 31 0.404 -4.587 3.287 230 HA2 GLY 31 HA2 GLY 31 1.537 -6.331 4.344 231 HA3 GLY 31 HA3 GLY 31 1.187 -7.408 3.000 232 H VAL 32 H VAL 32 2.625 -4.367 2.120 233 HA VAL 32 HA VAL 32 5.300 -5.641 1.735 234 HB VAL 32 HB VAL 32 5.030 -3.496 -0.092 235 HG11 VAL 32 HG11 VAL 32 5.306 -5.250 -1.777 236 HG12 VAL 32 HG12 VAL 32 6.367 -5.544 -0.393 237 HG13 VAL 32 HG13 VAL 32 4.874 -6.492 -0.582 238 HG21 VAL 32 HG21 VAL 32 2.603 -5.308 -0.344 239 HG22 VAL 32 HG22 VAL 32 2.605 -3.553 0.004 240 HG23 VAL 32 HG23 VAL 32 3.180 -4.156 -1.549 241 H SER 33 H SER 33 7.145 -4.345 1.898 242 HA SER 33 HA SER 33 6.929 -1.946 3.631 243 HB2 SER 33 HB2 SER 33 9.405 -3.254 2.434 244 HB3 SER 33 HB3 SER 33 9.347 -2.059 3.740 245 HG SER 33 HG SER 33 8.152 -3.662 4.976 246 H ILE 34 H ILE 34 7.926 0.068 2.953 247 HA ILE 34 HA ILE 34 8.105 0.457 -0.007 248 HB ILE 34 HB ILE 34 7.853 2.806 0.317 249 HG12 ILE 34 HG12 ILE 34 7.277 2.327 3.274 250 HG13 ILE 34 HG13 ILE 34 8.786 2.999 2.649 251 HG21 ILE 34 HG21 ILE 34 5.616 1.221 1.664 252 HG22 ILE 34 HG22 ILE 34 5.455 2.773 0.841 253 HG23 ILE 34 HG23 ILE 34 5.898 1.340 -0.088 254 HD11 ILE 34 HD11 ILE 34 6.042 4.279 2.418 255 HD12 ILE 34 HD12 ILE 34 7.428 4.829 3.370 256 HD13 ILE 34 HD13 ILE 34 7.507 4.876 1.597 257 H LYS 35 H LYS 35 9.880 1.200 -0.943 258 HA LYS 35 HA LYS 35 12.411 1.039 0.631 259 HB2 LYS 35 HB2 LYS 35 11.839 -0.223 -1.651 260 HB3 LYS 35 HB3 LYS 35 12.241 1.328 -2.380 261 HG2 LYS 35 HG2 LYS 35 14.237 0.061 -2.433 262 HG3 LYS 35 HG3 LYS 35 14.480 1.192 -1.097 263 HD2 LYS 35 HD2 LYS 35 13.832 -0.628 0.515 264 HD3 LYS 35 HD3 LYS 35 13.595 -1.728 -0.856 265 HE2 LYS 35 HE2 LYS 35 15.989 -1.413 -1.491 266 HE3 LYS 35 HE3 LYS 35 16.208 -0.346 -0.099 267 HZ1 LYS 35 HZ1 LYS 35 15.631 -2.231 1.346 268 HZ2 LYS 35 HZ2 LYS 35 16.912 -2.613 0.411 269 HZ3 LYS 35 HZ3 LYS 35 15.439 -3.215 0.055 270 H SER 36 H SER 36 10.451 3.282 -1.197 271 HA SER 36 HA SER 36 11.753 5.577 0.019 272 HB2 SER 36 HB2 SER 36 12.474 6.679 -2.036 273 HB3 SER 36 HB3 SER 36 13.289 5.123 -1.863 274 HG SER 36 HG SER 36 11.275 5.895 -3.676 275 H GLU 37 H GLU 37 10.753 7.650 -0.766 276 HA GLU 37 HA GLU 37 7.845 7.394 -1.196 277 HB2 GLU 37 HB2 GLU 37 7.734 9.759 -0.765 278 HB3 GLU 37 HB3 GLU 37 8.622 8.943 0.518 279 HG2 GLU 37 HG2 GLU 37 10.773 9.713 -0.476 280 HG3 GLU 37 HG3 GLU 37 9.884 10.547 -1.753 281 H GLY 38 H GLY 38 6.756 8.769 -2.809 282 HA2 GLY 38 HA2 GLY 38 6.456 9.686 -4.910 283 HA3 GLY 38 HA3 GLY 38 8.170 9.477 -5.294 284 H SER 39 H SER 39 6.226 8.798 -7.136 285 HA SER 39 HA SER 39 5.687 5.936 -7.189 286 HB2 SER 39 HB2 SER 39 4.428 7.553 -8.572 287 HB3 SER 39 HB3 SER 39 5.915 7.922 -9.474 288 HG SER 39 HG SER 39 4.821 5.298 -9.290 289 H CYS 40 H CYS 40 6.737 4.374 -8.353 290 HA CYS 40 HA CYS 40 9.677 4.717 -8.573 291 HB2 CYS 40 HB2 CYS 40 8.006 2.600 -7.682 292 HB3 CYS 40 HB3 CYS 40 8.773 2.029 -9.150 293 HA PRO 41 HA PRO 41 9.476 4.805 -13.048 294 HB2 PRO 41 HB2 PRO 41 12.016 4.035 -13.730 295 HB3 PRO 41 HB3 PRO 41 11.644 5.612 -12.972 296 HG2 PRO 41 HG2 PRO 41 12.612 3.077 -11.612 297 HG3 PRO 41 HG3 PRO 41 13.246 4.745 -11.428 298 HD2 PRO 41 HD2 PRO 41 11.457 3.666 -9.658 299 HD3 PRO 41 HD3 PRO 41 11.401 5.393 -10.095 300 H THR 42 H THR 42 9.303 3.440 -14.843 301 HA THR 42 HA THR 42 9.217 0.486 -14.293 302 HB THR 42 HB THR 42 7.352 1.917 -16.200 303 HG1 THR 42 HG1 THR 42 7.064 2.768 -14.113 304 HG21 THR 42 HG21 THR 42 7.328 -0.541 -16.433 305 HG22 THR 42 HG22 THR 42 5.846 0.000 -15.650 306 HG23 THR 42 HG23 THR 42 7.142 -0.723 -14.673 307 H GLY 43 H GLY 43 10.870 2.705 -16.088 308 HA2 GLY 43 HA2 GLY 43 12.483 1.002 -17.550 309 HA3 GLY 43 HA3 GLY 43 11.115 1.257 -18.632 310 H ILE 44 H ILE 44 13.270 3.210 -16.557 311 HA ILE 44 HA ILE 44 13.150 5.593 -18.208 312 HB ILE 44 HB ILE 44 13.570 5.339 -15.682 313 HG12 ILE 44 HG12 ILE 44 13.405 7.472 -16.712 314 HG13 ILE 44 HG13 ILE 44 14.631 7.447 -15.460 315 HG21 ILE 44 HG21 ILE 44 16.476 5.148 -16.534 316 HG22 ILE 44 HG22 ILE 44 15.854 5.367 -14.890 317 HG23 ILE 44 HG23 ILE 44 15.528 3.864 -15.765 318 HD11 ILE 44 HD11 ILE 44 16.404 7.343 -17.271 319 HD12 ILE 44 HD12 ILE 44 15.094 7.581 -18.458 320 HD13 ILE 44 HD13 ILE 44 15.423 8.818 -17.248 Start of MODEL 11 1 H1 LYS 1 H1 LYS 1 -13.401 -8.435 -3.862 2 H2 LYS 1 H2 LYS 1 -12.584 -8.450 -5.279 3 H3 LYS 1 H3 LYS 1 -11.802 -8.782 -3.886 4 HA LYS 1 HA LYS 1 -11.253 -6.557 -4.616 5 HB2 LYS 1 HB2 LYS 1 -13.540 -6.310 -5.799 6 HB3 LYS 1 HB3 LYS 1 -14.200 -5.894 -4.233 7 HG2 LYS 1 HG2 LYS 1 -13.748 -3.792 -5.094 8 HG3 LYS 1 HG3 LYS 1 -12.291 -4.078 -4.159 9 HD2 LYS 1 HD2 LYS 1 -11.593 -3.168 -6.239 10 HD3 LYS 1 HD3 LYS 1 -11.182 -4.887 -6.329 11 HE2 LYS 1 HE2 LYS 1 -13.260 -5.301 -7.652 12 HE3 LYS 1 HE3 LYS 1 -13.702 -3.600 -7.496 13 HZ1 LYS 1 HZ1 LYS 1 -12.627 -4.044 -9.624 14 HZ2 LYS 1 HZ2 LYS 1 -11.279 -4.602 -8.898 15 HZ3 LYS 1 HZ3 LYS 1 -11.696 -3.028 -8.756 16 H LYS 2 H LYS 2 -10.085 -6.118 -2.817 17 HA LYS 2 HA LYS 2 -11.450 -5.384 -0.269 18 HB2 LYS 2 HB2 LYS 2 -9.190 -7.417 -0.536 19 HB3 LYS 2 HB3 LYS 2 -9.619 -6.610 0.974 20 HG2 LYS 2 HG2 LYS 2 -11.917 -7.549 0.834 21 HG3 LYS 2 HG3 LYS 2 -11.456 -8.430 -0.635 22 HD2 LYS 2 HD2 LYS 2 -9.723 -9.662 0.621 23 HD3 LYS 2 HD3 LYS 2 -10.144 -8.768 2.098 24 HE2 LYS 2 HE2 LYS 2 -12.457 -9.671 1.985 25 HE3 LYS 2 HE3 LYS 2 -12.043 -10.562 0.516 26 HZ1 LYS 2 HZ1 LYS 2 -11.893 -11.979 2.478 27 HZ2 LYS 2 HZ2 LYS 2 -10.797 -10.998 3.181 28 HZ3 LYS 2 HZ3 LYS 2 -10.408 -11.821 1.822 29 H VAL 3 H VAL 3 -10.744 -3.529 0.468 30 HA VAL 3 HA VAL 3 -7.981 -2.549 -0.030 31 HB VAL 3 HB VAL 3 -10.406 -0.780 -0.522 32 HG11 VAL 3 HG11 VAL 3 -7.430 -0.389 -1.039 33 HG12 VAL 3 HG12 VAL 3 -8.707 0.731 -1.560 34 HG13 VAL 3 HG13 VAL 3 -8.422 0.480 0.153 35 HG21 VAL 3 HG21 VAL 3 -9.778 -0.823 -2.933 36 HG22 VAL 3 HG22 VAL 3 -8.594 -2.103 -2.588 37 HG23 VAL 3 HG23 VAL 3 -10.337 -2.393 -2.373 38 H CYS 4 H CYS 4 -7.196 -1.283 1.606 39 HA CYS 4 HA CYS 4 -8.619 -1.320 4.175 40 HB2 CYS 4 HB2 CYS 4 -5.915 -0.124 3.458 41 HB3 CYS 4 HB3 CYS 4 -6.560 -0.404 5.074 42 H ALA 5 H ALA 5 -9.257 0.475 5.387 43 HA ALA 5 HA ALA 5 -10.172 2.830 3.980 44 HB1 ALA 5 HB1 ALA 5 -11.424 1.840 5.838 45 HB2 ALA 5 HB2 ALA 5 -10.074 2.159 6.952 46 HB3 ALA 5 HB3 ALA 5 -10.962 3.510 6.214 47 H CYS 6 H CYS 6 -8.576 4.126 3.147 48 HA CYS 6 HA CYS 6 -6.619 5.361 4.993 49 HB2 CYS 6 HB2 CYS 6 -6.254 4.356 2.150 50 HB3 CYS 6 HB3 CYS 6 -5.153 5.481 2.917 51 HA PRO 7 HA PRO 7 -8.175 9.180 3.506 52 HB2 PRO 7 HB2 PRO 7 -6.053 10.873 3.791 53 HB3 PRO 7 HB3 PRO 7 -6.871 10.069 5.169 54 HG2 PRO 7 HG2 PRO 7 -4.343 9.173 3.762 55 HG3 PRO 7 HG3 PRO 7 -4.602 9.414 5.523 56 HD2 PRO 7 HD2 PRO 7 -4.837 6.981 4.373 57 HD3 PRO 7 HD3 PRO 7 -5.978 7.463 5.655 58 H LYS 8 H LYS 8 -7.985 10.931 1.959 59 HA LYS 8 HA LYS 8 -7.507 9.937 -0.720 60 HB2 LYS 8 HB2 LYS 8 -8.456 12.620 0.372 61 HB3 LYS 8 HB3 LYS 8 -8.464 12.238 -1.344 62 HG2 LYS 8 HG2 LYS 8 -10.038 10.657 0.724 63 HG3 LYS 8 HG3 LYS 8 -10.671 12.011 -0.213 64 HD2 LYS 8 HD2 LYS 8 -10.223 10.803 -2.322 65 HD3 LYS 8 HD3 LYS 8 -9.602 9.419 -1.409 66 HE2 LYS 8 HE2 LYS 8 -11.786 9.149 -0.293 67 HE3 LYS 8 HE3 LYS 8 -12.415 10.555 -1.147 68 HZ1 LYS 8 HZ1 LYS 8 -11.495 8.058 -2.459 69 HZ2 LYS 8 HZ2 LYS 8 -12.096 9.358 -3.237 70 HZ3 LYS 8 HZ3 LYS 8 -13.050 8.486 -2.250 71 H ILE 9 H ILE 9 -5.351 11.470 1.236 72 HA ILE 9 HA ILE 9 -4.221 13.474 -0.306 73 HB ILE 9 HB ILE 9 -2.180 13.016 1.103 74 HG12 ILE 9 HG12 ILE 9 -3.894 11.271 2.843 75 HG13 ILE 9 HG13 ILE 9 -2.931 10.531 1.585 76 HG21 ILE 9 HG21 ILE 9 -3.251 13.988 3.113 77 HG22 ILE 9 HG22 ILE 9 -3.858 14.723 1.626 78 HG23 ILE 9 HG23 ILE 9 -4.845 13.521 2.485 79 HD11 ILE 9 HD11 ILE 9 -0.869 11.463 2.525 80 HD12 ILE 9 HD12 ILE 9 -1.794 12.276 3.798 81 HD13 ILE 9 HD13 ILE 9 -1.743 10.512 3.733 82 H LEU 10 H LEU 10 -3.384 13.438 -2.214 83 HA LEU 10 HA LEU 10 -2.291 11.111 -3.556 84 HB2 LEU 10 HB2 LEU 10 -2.357 14.069 -4.270 85 HB3 LEU 10 HB3 LEU 10 -1.805 12.802 -5.362 86 HG LEU 10 HG LEU 10 -4.633 12.983 -4.220 87 HD11 LEU 10 HD11 LEU 10 -5.261 13.746 -6.470 88 HD12 LEU 10 HD12 LEU 10 -3.554 13.716 -6.972 89 HD13 LEU 10 HD13 LEU 10 -4.103 14.859 -5.727 90 HD21 LEU 10 HD21 LEU 10 -4.055 10.670 -4.855 91 HD22 LEU 10 HD22 LEU 10 -3.467 11.235 -6.436 92 HD23 LEU 10 HD23 LEU 10 -5.188 11.362 -6.015 93 H LYS 11 H LYS 11 -0.626 10.429 -2.189 94 HA LYS 11 HA LYS 11 1.995 11.799 -2.595 95 HB2 LYS 11 HB2 LYS 11 0.877 12.529 -0.415 96 HB3 LYS 11 HB3 LYS 11 1.163 10.914 0.196 97 HG2 LYS 11 HG2 LYS 11 3.300 12.842 -0.850 98 HG3 LYS 11 HG3 LYS 11 2.837 12.659 0.836 99 HD2 LYS 11 HD2 LYS 11 3.614 10.269 0.774 100 HD3 LYS 11 HD3 LYS 11 4.149 10.525 -0.889 101 HE2 LYS 11 HE2 LYS 11 6.058 10.701 0.518 102 HE3 LYS 11 HE3 LYS 11 5.707 12.292 -0.155 103 HZ1 LYS 11 HZ1 LYS 11 4.981 11.404 2.594 104 HZ2 LYS 11 HZ2 LYS 11 4.694 12.894 1.984 105 HZ3 LYS 11 HZ3 LYS 11 6.224 12.396 2.227 106 HA PRO 12 HA PRO 12 1.836 7.248 -3.391 107 HB2 PRO 12 HB2 PRO 12 3.443 7.207 -5.653 108 HB3 PRO 12 HB3 PRO 12 1.680 7.497 -5.661 109 HG2 PRO 12 HG2 PRO 12 3.914 9.535 -5.702 110 HG3 PRO 12 HG3 PRO 12 2.442 9.483 -6.719 111 HD2 PRO 12 HD2 PRO 12 2.598 11.072 -4.535 112 HD3 PRO 12 HD3 PRO 12 1.076 10.220 -4.932 113 H VAL 13 H VAL 13 3.525 5.618 -3.553 114 HA VAL 13 HA VAL 13 6.220 6.275 -2.527 115 HB VAL 13 HB VAL 13 6.003 4.639 -0.682 116 HG11 VAL 13 HG11 VAL 13 3.896 6.812 -0.385 117 HG12 VAL 13 HG12 VAL 13 4.785 5.981 0.905 118 HG13 VAL 13 HG13 VAL 13 5.644 7.058 -0.204 119 HG21 VAL 13 HG21 VAL 13 4.196 3.232 -1.446 120 HG22 VAL 13 HG22 VAL 13 3.704 3.964 0.081 121 HG23 VAL 13 HG23 VAL 13 3.041 4.582 -1.430 122 H CYS 14 H CYS 14 7.671 4.396 -2.611 123 HA CYS 14 HA CYS 14 6.807 2.418 -4.690 124 HB2 CYS 14 HB2 CYS 14 8.646 3.801 -5.400 125 HB3 CYS 14 HB3 CYS 14 9.591 3.370 -3.971 126 H GLY 15 H GLY 15 6.376 0.451 -4.059 127 HA2 GLY 15 HA2 GLY 15 7.086 -0.661 -1.428 128 HA3 GLY 15 HA3 GLY 15 6.206 -1.459 -2.723 129 H SER 16 H SER 16 8.141 -2.694 -1.152 130 HA SER 16 HA SER 16 10.684 -2.997 -2.222 131 HB2 SER 16 HB2 SER 16 9.881 -3.933 -0.088 132 HB3 SER 16 HB3 SER 16 8.955 -5.154 -0.973 133 HG SER 16 HG SER 16 11.797 -4.813 -1.051 134 H ASP 17 H ASP 17 7.717 -4.254 -3.549 135 HA ASP 17 HA ASP 17 8.879 -6.163 -5.428 136 HB2 ASP 17 HB2 ASP 17 6.558 -6.281 -4.504 137 HB3 ASP 17 HB3 ASP 17 6.152 -4.808 -5.380 138 H GLY 18 H GLY 18 8.610 -2.724 -5.389 139 HA2 GLY 18 HA2 GLY 18 9.562 -1.226 -6.962 140 HA3 GLY 18 HA3 GLY 18 9.409 -2.441 -8.235 141 H ARG 19 H ARG 19 6.599 -2.552 -6.630 142 HA ARG 19 HA ARG 19 4.991 -1.151 -8.590 143 HB2 ARG 19 HB2 ARG 19 4.485 -3.301 -7.216 144 HB3 ARG 19 HB3 ARG 19 4.185 -2.229 -5.865 145 HG2 ARG 19 HG2 ARG 19 2.058 -2.801 -6.774 146 HG3 ARG 19 HG3 ARG 19 2.334 -1.139 -7.239 147 HD2 ARG 19 HD2 ARG 19 1.479 -2.180 -9.184 148 HD3 ARG 19 HD3 ARG 19 3.197 -2.065 -9.497 149 HE ARG 19 HE ARG 19 3.446 -4.424 -9.139 150 HH11 ARG 19 HH11 ARG 19 0.091 -3.512 -8.877 151 HH12 ARG 19 HH12 ARG 19 -0.474 -5.154 -9.002 152 HH21 ARG 19 HH21 ARG 19 2.693 -6.498 -9.270 153 HH22 ARG 19 HH22 ARG 19 0.982 -6.804 -9.221 154 H THR 20 H THR 20 3.563 0.470 -8.159 155 HA THR 20 HA THR 20 4.152 2.447 -5.965 156 HB THR 20 HB THR 20 3.091 2.989 -8.768 157 HG1 THR 20 HG1 THR 20 5.037 3.460 -9.269 158 HG21 THR 20 HG21 THR 20 3.727 4.900 -6.482 159 HG22 THR 20 HG22 THR 20 2.129 4.610 -7.207 160 HG23 THR 20 HG23 THR 20 3.385 5.384 -8.160 161 H TYR 21 H TYR 21 2.507 3.069 -4.668 162 HA TYR 21 HA TYR 21 -0.304 2.399 -5.381 163 HB2 TYR 21 HB2 TYR 21 0.537 2.398 -2.524 164 HB3 TYR 21 HB3 TYR 21 -0.689 1.451 -3.359 165 HD1 TYR 21 HD2 TYR 21 2.864 1.719 -2.453 166 HD2 TYR 21 HD1 TYR 21 -0.109 -0.749 -4.353 167 HE1 TYR 21 HE2 TYR 21 4.389 -0.229 -2.289 168 HE2 TYR 21 HE1 TYR 21 1.443 -2.696 -4.243 169 HH TYR 21 HH TYR 21 3.525 -3.428 -3.643 170 H ALA 22 H ALA 22 -1.835 3.660 -3.779 171 HA ALA 22 HA ALA 22 -1.653 6.380 -4.487 172 HB1 ALA 22 HB1 ALA 22 -3.611 6.657 -3.025 173 HB2 ALA 22 HB2 ALA 22 -3.760 5.186 -3.994 174 HB3 ALA 22 HB3 ALA 22 -3.312 5.085 -2.280 175 H ASN 23 H ASN 23 -0.952 4.934 -1.262 176 HA ASN 23 HA ASN 23 1.047 6.915 -0.743 177 HB2 ASN 23 HB2 ASN 23 0.047 8.010 1.165 178 HB3 ASN 23 HB3 ASN 23 -1.077 8.167 -0.163 179 HD21 ASN 23 HD21 ASN 23 -1.982 8.595 2.344 180 HD22 ASN 23 HD22 ASN 23 -3.063 7.275 2.775 181 H SER 24 H SER 24 1.647 6.730 1.790 182 HA SER 24 HA SER 24 2.751 4.145 2.153 183 HB2 SER 24 HB2 SER 24 3.620 6.226 3.194 184 HB3 SER 24 HB3 SER 24 2.223 6.253 4.288 185 HG SER 24 HG SER 24 4.104 5.290 5.221 186 H CYS 25 H CYS 25 -0.294 5.457 3.422 187 HA CYS 25 HA CYS 25 -0.892 3.392 5.283 188 HB2 CYS 25 HB2 CYS 25 -2.000 5.553 5.284 189 HB3 CYS 25 HB3 CYS 25 -2.691 5.256 3.693 190 H ILE 26 H ILE 26 -1.712 3.604 1.768 191 HA ILE 26 HA ILE 26 -3.172 1.086 1.914 192 HB ILE 26 HB ILE 26 -3.515 3.024 0.287 193 HG12 ILE 26 HG12 ILE 26 -3.332 0.410 -1.202 194 HG13 ILE 26 HG13 ILE 26 -4.374 0.480 0.220 195 HG21 ILE 26 HG21 ILE 26 -1.312 1.731 -1.259 196 HG22 ILE 26 HG22 ILE 26 -2.485 2.893 -1.900 197 HG23 ILE 26 HG23 ILE 26 -1.394 3.388 -0.612 198 HD11 ILE 26 HD11 ILE 26 -4.653 2.291 -2.218 199 HD12 ILE 26 HD12 ILE 26 -5.659 0.897 -1.831 200 HD13 ILE 26 HD13 ILE 26 -5.680 2.317 -0.774 201 H ALA 27 H ALA 27 -0.020 2.145 0.924 202 HA ALA 27 HA ALA 27 0.994 -0.191 -0.191 203 HB1 ALA 27 HB1 ALA 27 2.575 1.882 1.389 204 HB2 ALA 27 HB2 ALA 27 3.226 0.754 0.185 205 HB3 ALA 27 HB3 ALA 27 2.081 2.016 -0.307 206 H ARG 28 H ARG 28 1.313 0.808 3.208 207 HA ARG 28 HA ARG 28 2.662 -1.556 4.171 208 HB2 ARG 28 HB2 ARG 28 2.274 -0.708 6.357 209 HB3 ARG 28 HB3 ARG 28 2.565 0.659 5.274 210 HG2 ARG 28 HG2 ARG 28 0.217 1.233 5.291 211 HG3 ARG 28 HG3 ARG 28 -0.167 -0.162 6.314 212 HD2 ARG 28 HD2 ARG 28 1.055 0.737 8.169 213 HD3 ARG 28 HD3 ARG 28 1.848 1.943 7.157 214 HE ARG 28 HE ARG 28 0.093 3.362 7.469 215 HH11 ARG 28 HH11 ARG 28 -1.144 0.204 8.263 216 HH12 ARG 28 HH12 ARG 28 -2.657 0.828 8.855 217 HH21 ARG 28 HH21 ARG 28 -1.865 4.120 8.204 218 HH22 ARG 28 HH22 ARG 28 -3.038 3.002 8.820 219 H CYS 29 H CYS 29 -0.654 -0.859 3.694 220 HA CYS 29 HA CYS 29 -1.642 -3.089 5.371 221 HB2 CYS 29 HB2 CYS 29 -2.623 -0.756 5.190 222 HB3 CYS 29 HB3 CYS 29 -3.280 -1.234 3.623 223 H ASN 30 H ASN 30 -1.017 -2.468 2.009 224 HA ASN 30 HA ASN 30 -2.119 -4.913 0.906 225 HB2 ASN 30 HB2 ASN 30 -0.259 -2.698 0.057 226 HB3 ASN 30 HB3 ASN 30 -0.051 -4.228 -0.728 227 HD21 ASN 30 HD21 ASN 30 -2.401 -1.683 -0.051 228 HD22 ASN 30 HD22 ASN 30 -3.460 -2.087 -1.416 229 H GLY 31 H GLY 31 0.345 -4.525 3.218 230 HA2 GLY 31 HA2 GLY 31 1.524 -6.241 4.250 231 HA3 GLY 31 HA3 GLY 31 1.132 -7.328 2.926 232 H VAL 32 H VAL 32 2.647 -4.237 2.167 233 HA VAL 32 HA VAL 32 5.236 -5.623 1.601 234 HB VAL 32 HB VAL 32 4.600 -3.420 -0.224 235 HG11 VAL 32 HG11 VAL 32 6.586 -4.895 -0.412 236 HG12 VAL 32 HG12 VAL 32 5.515 -6.280 -0.696 237 HG13 VAL 32 HG13 VAL 32 5.577 -4.945 -1.862 238 HG21 VAL 32 HG21 VAL 32 3.171 -4.757 -1.749 239 HG22 VAL 32 HG22 VAL 32 2.947 -5.959 -0.473 240 HG23 VAL 32 HG23 VAL 32 2.345 -4.298 -0.267 241 H SER 33 H SER 33 7.154 -4.469 1.897 242 HA SER 33 HA SER 33 6.966 -2.098 3.631 243 HB2 SER 33 HB2 SER 33 9.689 -2.665 2.943 244 HB3 SER 33 HB3 SER 33 8.863 -2.826 4.484 245 HG SER 33 HG SER 33 9.518 -4.774 2.603 246 H ILE 34 H ILE 34 7.450 -0.004 3.008 247 HA ILE 34 HA ILE 34 7.972 0.482 0.143 248 HB ILE 34 HB ILE 34 7.697 2.792 0.519 249 HG12 ILE 34 HG12 ILE 34 7.261 2.290 3.494 250 HG13 ILE 34 HG13 ILE 34 8.726 2.985 2.797 251 HG21 ILE 34 HG21 ILE 34 5.331 2.773 1.086 252 HG22 ILE 34 HG22 ILE 34 5.731 1.302 0.193 253 HG23 ILE 34 HG23 ILE 34 5.494 1.244 1.956 254 HD11 ILE 34 HD11 ILE 34 7.371 4.841 1.809 255 HD12 ILE 34 HD12 ILE 34 5.969 4.238 2.726 256 HD13 ILE 34 HD13 ILE 34 7.412 4.802 3.581 257 H LYS 35 H LYS 35 9.753 1.167 -0.754 258 HA LYS 35 HA LYS 35 12.291 1.152 0.832 259 HB2 LYS 35 HB2 LYS 35 11.520 0.216 -1.821 260 HB3 LYS 35 HB3 LYS 35 12.773 1.432 -1.984 261 HG2 LYS 35 HG2 LYS 35 13.815 -0.712 -1.821 262 HG3 LYS 35 HG3 LYS 35 14.194 0.206 -0.362 263 HD2 LYS 35 HD2 LYS 35 12.518 -1.109 0.921 264 HD3 LYS 35 HD3 LYS 35 12.002 -1.911 -0.561 265 HE2 LYS 35 HE2 LYS 35 13.436 -3.436 0.604 266 HE3 LYS 35 HE3 LYS 35 14.300 -2.869 -0.828 267 HZ1 LYS 35 HZ1 LYS 35 15.557 -1.356 0.598 268 HZ2 LYS 35 HZ2 LYS 35 15.696 -2.870 1.182 269 HZ3 LYS 35 HZ3 LYS 35 14.708 -1.806 1.923 270 H SER 36 H SER 36 10.295 3.322 -1.044 271 HA SER 36 HA SER 36 11.568 5.614 0.164 272 HB2 SER 36 HB2 SER 36 13.068 5.003 -1.892 273 HB3 SER 36 HB3 SER 36 11.719 5.599 -2.867 274 HG SER 36 HG SER 36 13.325 6.984 -0.958 275 H GLU 37 H GLU 37 10.662 7.659 -0.908 276 HA GLU 37 HA GLU 37 7.698 7.452 -1.150 277 HB2 GLU 37 HB2 GLU 37 9.495 9.878 -0.711 278 HB3 GLU 37 HB3 GLU 37 7.742 9.903 -0.843 279 HG2 GLU 37 HG2 GLU 37 8.120 9.999 1.451 280 HG3 GLU 37 HG3 GLU 37 7.618 8.341 1.148 281 H GLY 38 H GLY 38 6.592 8.764 -2.744 282 HA2 GLY 38 HA2 GLY 38 6.189 9.605 -4.835 283 HA3 GLY 38 HA3 GLY 38 7.914 9.602 -5.221 284 H SER 39 H SER 39 6.160 8.813 -7.113 285 HA SER 39 HA SER 39 5.654 5.975 -7.241 286 HB2 SER 39 HB2 SER 39 6.068 7.832 -9.612 287 HB3 SER 39 HB3 SER 39 5.170 6.305 -9.567 288 HG SER 39 HG SER 39 3.892 8.283 -9.541 289 H CYS 40 H CYS 40 6.887 4.326 -8.075 290 HA CYS 40 HA CYS 40 9.772 4.732 -8.194 291 HB2 CYS 40 HB2 CYS 40 8.018 2.565 -7.677 292 HB3 CYS 40 HB3 CYS 40 8.908 2.107 -9.114 293 HA PRO 41 HA PRO 41 10.062 5.326 -12.619 294 HB2 PRO 41 HB2 PRO 41 12.676 4.679 -13.098 295 HB3 PRO 41 HB3 PRO 41 12.169 6.141 -12.204 296 HG2 PRO 41 HG2 PRO 41 13.070 3.484 -11.050 297 HG3 PRO 41 HG3 PRO 41 13.605 5.131 -10.593 298 HD2 PRO 41 HD2 PRO 41 11.678 3.784 -9.205 299 HD3 PRO 41 HD3 PRO 41 11.603 5.556 -9.425 300 H THR 42 H THR 42 9.013 4.056 -13.981 301 HA THR 42 HA THR 42 8.934 1.264 -13.997 302 HB THR 42 HB THR 42 8.329 2.864 -16.488 303 HG1 THR 42 HG1 THR 42 6.399 3.526 -15.536 304 HG21 THR 42 HG21 THR 42 6.299 1.447 -16.518 305 HG22 THR 42 HG22 THR 42 6.778 0.710 -14.973 306 HG23 THR 42 HG23 THR 42 7.746 0.435 -16.438 307 H GLY 43 H GLY 43 11.334 3.214 -15.337 308 HA2 GLY 43 HA2 GLY 43 12.842 0.952 -16.461 309 HA3 GLY 43 HA3 GLY 43 12.283 2.105 -17.677 310 H ILE 44 H ILE 44 13.938 1.959 -14.559 311 HA ILE 44 HA ILE 44 15.334 4.439 -14.640 312 HB ILE 44 HB ILE 44 14.910 3.154 -12.608 313 HG12 ILE 44 HG12 ILE 44 17.888 3.628 -13.019 314 HG13 ILE 44 HG13 ILE 44 16.692 4.911 -12.811 315 HG21 ILE 44 HG21 ILE 44 17.135 1.260 -13.484 316 HG22 ILE 44 HG22 ILE 44 16.213 1.198 -11.971 317 HG23 ILE 44 HG23 ILE 44 15.409 0.855 -13.499 318 HD11 ILE 44 HD11 ILE 44 17.783 4.499 -10.700 319 HD12 ILE 44 HD12 ILE 44 16.090 3.982 -10.577 320 HD13 ILE 44 HD13 ILE 44 17.389 2.775 -10.759 Start of MODEL 12 1 H1 LYS 1 H1 LYS 1 -16.174 -7.108 -2.588 2 H2 LYS 1 H2 LYS 1 -15.811 -8.555 -1.903 3 H3 LYS 1 H3 LYS 1 -16.145 -7.268 -0.963 4 HA LYS 1 HA LYS 1 -13.763 -7.658 -0.961 5 HB2 LYS 1 HB2 LYS 1 -14.123 -7.441 -3.982 6 HB3 LYS 1 HB3 LYS 1 -12.614 -7.016 -3.200 7 HG2 LYS 1 HG2 LYS 1 -12.253 -9.196 -3.862 8 HG3 LYS 1 HG3 LYS 1 -12.532 -9.289 -2.136 9 HD2 LYS 1 HD2 LYS 1 -13.629 -11.160 -3.132 10 HD3 LYS 1 HD3 LYS 1 -14.890 -10.073 -2.607 11 HE2 LYS 1 HE2 LYS 1 -15.587 -10.808 -4.733 12 HE3 LYS 1 HE3 LYS 1 -14.970 -9.183 -5.033 13 HZ1 LYS 1 HZ1 LYS 1 -14.149 -10.780 -6.672 14 HZ2 LYS 1 HZ2 LYS 1 -13.478 -11.712 -5.518 15 HZ3 LYS 1 HZ3 LYS 1 -12.882 -10.218 -5.813 16 H LYS 2 H LYS 2 -12.902 -5.924 -0.023 17 HA LYS 2 HA LYS 2 -13.087 -3.264 -1.290 18 HB2 LYS 2 HB2 LYS 2 -13.582 -2.139 0.830 19 HB3 LYS 2 HB3 LYS 2 -14.927 -3.070 0.220 20 HG2 LYS 2 HG2 LYS 2 -13.114 -4.322 2.304 21 HG3 LYS 2 HG3 LYS 2 -14.208 -3.048 2.800 22 HD2 LYS 2 HD2 LYS 2 -15.143 -5.594 1.412 23 HD3 LYS 2 HD3 LYS 2 -15.076 -5.357 3.159 24 HE2 LYS 2 HE2 LYS 2 -16.583 -3.375 2.938 25 HE3 LYS 2 HE3 LYS 2 -16.731 -3.695 1.210 26 HZ1 LYS 2 HZ1 LYS 2 -18.576 -4.660 2.463 27 HZ2 LYS 2 HZ2 LYS 2 -17.565 -5.565 3.367 28 HZ3 LYS 2 HZ3 LYS 2 -17.720 -5.860 1.766 29 H VAL 3 H VAL 3 -11.350 -1.937 -0.964 30 HA VAL 3 HA VAL 3 -8.853 -3.066 -0.011 31 HB VAL 3 HB VAL 3 -8.030 -0.808 -0.674 32 HG11 VAL 3 HG11 VAL 3 -8.236 -1.155 -3.075 33 HG12 VAL 3 HG12 VAL 3 -7.995 -2.696 -2.239 34 HG13 VAL 3 HG13 VAL 3 -9.613 -2.248 -2.825 35 HG21 VAL 3 HG21 VAL 3 -10.105 0.523 -0.334 36 HG22 VAL 3 HG22 VAL 3 -9.370 0.745 -1.927 37 HG23 VAL 3 HG23 VAL 3 -10.812 -0.267 -1.765 38 H CYS 4 H CYS 4 -7.444 -1.651 1.410 39 HA CYS 4 HA CYS 4 -8.585 -1.216 3.993 40 HB2 CYS 4 HB2 CYS 4 -5.971 -1.058 2.737 41 HB3 CYS 4 HB3 CYS 4 -6.224 0.361 3.735 42 H ALA 5 H ALA 5 -9.500 0.490 4.954 43 HA ALA 5 HA ALA 5 -10.350 2.832 3.487 44 HB1 ALA 5 HB1 ALA 5 -11.726 1.812 5.236 45 HB2 ALA 5 HB2 ALA 5 -10.474 2.144 6.455 46 HB3 ALA 5 HB3 ALA 5 -11.324 3.487 5.660 47 H CYS 6 H CYS 6 -8.670 4.088 2.765 48 HA CYS 6 HA CYS 6 -6.854 5.328 4.751 49 HB2 CYS 6 HB2 CYS 6 -6.328 4.383 1.914 50 HB3 CYS 6 HB3 CYS 6 -5.271 5.488 2.767 51 HA PRO 7 HA PRO 7 -8.316 9.188 3.298 52 HB2 PRO 7 HB2 PRO 7 -6.212 10.858 3.783 53 HB3 PRO 7 HB3 PRO 7 -7.122 10.007 5.073 54 HG2 PRO 7 HG2 PRO 7 -4.507 9.147 3.806 55 HG3 PRO 7 HG3 PRO 7 -4.884 9.326 5.553 56 HD2 PRO 7 HD2 PRO 7 -5.046 6.942 4.295 57 HD3 PRO 7 HD3 PRO 7 -6.270 7.380 5.516 58 H LYS 8 H LYS 8 -8.077 10.975 1.820 59 HA LYS 8 HA LYS 8 -7.362 10.102 -0.824 60 HB2 LYS 8 HB2 LYS 8 -9.441 11.336 -0.138 61 HB3 LYS 8 HB3 LYS 8 -8.455 12.739 0.241 62 HG2 LYS 8 HG2 LYS 8 -9.678 12.975 -1.869 63 HG3 LYS 8 HG3 LYS 8 -7.949 13.121 -2.081 64 HD2 LYS 8 HD2 LYS 8 -8.903 11.847 -3.927 65 HD3 LYS 8 HD3 LYS 8 -7.826 10.827 -2.996 66 HE2 LYS 8 HE2 LYS 8 -9.725 9.504 -3.540 67 HE3 LYS 8 HE3 LYS 8 -9.823 9.844 -1.812 68 HZ1 LYS 8 HZ1 LYS 8 -11.464 11.589 -2.332 69 HZ2 LYS 8 HZ2 LYS 8 -11.966 10.158 -2.929 70 HZ3 LYS 8 HZ3 LYS 8 -11.343 11.281 -3.933 71 H ILE 9 H ILE 9 -5.469 11.655 1.389 72 HA ILE 9 HA ILE 9 -4.063 13.644 0.071 73 HB ILE 9 HB ILE 9 -2.239 13.067 1.632 74 HG12 ILE 9 HG12 ILE 9 -3.953 11.335 3.314 75 HG13 ILE 9 HG13 ILE 9 -3.282 10.528 1.903 76 HG21 ILE 9 HG21 ILE 9 -3.455 13.875 3.615 77 HG22 ILE 9 HG22 ILE 9 -3.945 14.733 2.147 78 HG23 ILE 9 HG23 ILE 9 -4.998 13.480 2.833 79 HD11 ILE 9 HD11 ILE 9 -1.650 12.048 3.980 80 HD12 ILE 9 HD12 ILE 9 -1.821 10.283 3.876 81 HD13 ILE 9 HD13 ILE 9 -1.002 11.170 2.572 82 H LEU 10 H LEU 10 -3.236 13.570 -1.824 83 HA LEU 10 HA LEU 10 -2.195 11.271 -3.195 84 HB2 LEU 10 HB2 LEU 10 -2.021 14.252 -3.795 85 HB3 LEU 10 HB3 LEU 10 -1.576 12.981 -4.929 86 HG LEU 10 HG LEU 10 -4.386 13.309 -3.774 87 HD11 LEU 10 HD11 LEU 10 -4.974 14.283 -5.949 88 HD12 LEU 10 HD12 LEU 10 -3.268 14.219 -6.453 89 HD13 LEU 10 HD13 LEU 10 -3.769 15.269 -5.108 90 HD21 LEU 10 HD21 LEU 10 -3.335 11.695 -6.145 91 HD22 LEU 10 HD22 LEU 10 -5.042 11.872 -5.679 92 HD23 LEU 10 HD23 LEU 10 -3.926 11.026 -4.605 93 H LYS 11 H LYS 11 -0.547 10.366 -2.003 94 HA LYS 11 HA LYS 11 2.123 11.682 -2.217 95 HB2 LYS 11 HB2 LYS 11 1.104 12.208 0.051 96 HB3 LYS 11 HB3 LYS 11 1.151 10.481 0.404 97 HG2 LYS 11 HG2 LYS 11 3.710 10.665 -0.211 98 HG3 LYS 11 HG3 LYS 11 3.471 12.403 -0.084 99 HD2 LYS 11 HD2 LYS 11 2.927 10.347 2.112 100 HD3 LYS 11 HD3 LYS 11 4.375 11.354 1.978 101 HE2 LYS 11 HE2 LYS 11 2.962 13.403 2.171 102 HE3 LYS 11 HE3 LYS 11 1.530 12.383 2.374 103 HZ1 LYS 11 HZ1 LYS 11 2.560 11.464 4.392 104 HZ2 LYS 11 HZ2 LYS 11 2.427 13.087 4.521 105 HZ3 LYS 11 HZ3 LYS 11 3.876 12.412 4.200 106 HA PRO 12 HA PRO 12 1.908 7.168 -3.370 107 HB2 PRO 12 HB2 PRO 12 3.238 7.304 -5.793 108 HB3 PRO 12 HB3 PRO 12 1.477 7.541 -5.589 109 HG2 PRO 12 HG2 PRO 12 3.632 9.663 -5.751 110 HG3 PRO 12 HG3 PRO 12 2.068 9.598 -6.627 111 HD2 PRO 12 HD2 PRO 12 2.364 11.085 -4.379 112 HD3 PRO 12 HD3 PRO 12 0.851 10.178 -4.680 113 H VAL 13 H VAL 13 3.609 5.636 -3.609 114 HA VAL 13 HA VAL 13 6.353 6.371 -2.765 115 HB VAL 13 HB VAL 13 6.265 4.778 -0.884 116 HG11 VAL 13 HG11 VAL 13 4.111 6.887 -0.511 117 HG12 VAL 13 HG12 VAL 13 5.150 6.157 0.726 118 HG13 VAL 13 HG13 VAL 13 5.851 7.229 -0.497 119 HG21 VAL 13 HG21 VAL 13 4.047 4.082 0.052 120 HG22 VAL 13 HG22 VAL 13 3.257 4.661 -1.414 121 HG23 VAL 13 HG23 VAL 13 4.418 3.314 -1.497 122 H CYS 14 H CYS 14 7.853 4.551 -2.892 123 HA CYS 14 HA CYS 14 7.003 2.518 -4.917 124 HB2 CYS 14 HB2 CYS 14 8.906 3.879 -5.575 125 HB3 CYS 14 HB3 CYS 14 9.778 3.436 -4.098 126 H GLY 15 H GLY 15 6.400 0.634 -4.154 127 HA2 GLY 15 HA2 GLY 15 7.098 -0.408 -1.524 128 HA3 GLY 15 HA3 GLY 15 6.251 -1.260 -2.811 129 H SER 16 H SER 16 8.272 -2.361 -1.094 130 HA SER 16 HA SER 16 10.776 -2.719 -2.292 131 HB2 SER 16 HB2 SER 16 9.125 -4.670 -0.668 132 HB3 SER 16 HB3 SER 16 10.841 -4.892 -1.057 133 HG SER 16 HG SER 16 11.345 -3.042 0.075 134 H ASP 17 H ASP 17 7.756 -4.116 -3.361 135 HA ASP 17 HA ASP 17 8.943 -6.155 -5.105 136 HB2 ASP 17 HB2 ASP 17 6.693 -6.314 -4.001 137 HB3 ASP 17 HB3 ASP 17 6.127 -5.005 -5.039 138 H GLY 18 H GLY 18 8.488 -2.765 -5.345 139 HA2 GLY 18 HA2 GLY 18 9.485 -1.438 -7.054 140 HA3 GLY 18 HA3 GLY 18 9.173 -2.707 -8.244 141 H ARG 19 H ARG 19 6.461 -2.586 -6.527 142 HA ARG 19 HA ARG 19 4.901 -1.212 -8.550 143 HB2 ARG 19 HB2 ARG 19 4.444 -3.348 -7.022 144 HB3 ARG 19 HB3 ARG 19 3.926 -2.166 -5.846 145 HG2 ARG 19 HG2 ARG 19 1.997 -3.029 -6.969 146 HG3 ARG 19 HG3 ARG 19 2.177 -1.361 -7.509 147 HD2 ARG 19 HD2 ARG 19 3.108 -2.077 -9.636 148 HD3 ARG 19 HD3 ARG 19 3.295 -3.734 -9.077 149 HE ARG 19 HE ARG 19 0.836 -2.437 -10.036 150 HH11 ARG 19 HH11 ARG 19 2.045 -5.254 -8.346 151 HH12 ARG 19 HH12 ARG 19 0.626 -6.195 -8.714 152 HH21 ARG 19 HH21 ARG 19 -0.934 -3.688 -10.482 153 HH22 ARG 19 HH22 ARG 19 -1.011 -5.322 -9.893 154 H THR 20 H THR 20 3.454 0.401 -8.187 155 HA THR 20 HA THR 20 4.012 2.479 -6.079 156 HB THR 20 HB THR 20 2.903 2.729 -8.900 157 HG1 THR 20 HG1 THR 20 4.787 3.507 -9.376 158 HG21 THR 20 HG21 THR 20 1.757 4.396 -7.477 159 HG22 THR 20 HG22 THR 20 2.899 5.155 -8.571 160 HG23 THR 20 HG23 THR 20 3.330 4.945 -6.851 161 H TYR 21 H TYR 21 2.416 3.090 -4.736 162 HA TYR 21 HA TYR 21 -0.408 2.374 -5.321 163 HB2 TYR 21 HB2 TYR 21 0.557 2.466 -2.498 164 HB3 TYR 21 HB3 TYR 21 -0.724 1.518 -3.253 165 HD1 TYR 21 HD1 TYR 21 -0.233 -0.695 -4.260 166 HD2 TYR 21 HD2 TYR 21 2.849 1.717 -2.442 167 HE1 TYR 21 HE1 TYR 21 1.305 -2.669 -4.215 168 HE2 TYR 21 HE2 TYR 21 4.356 -0.235 -2.378 169 HH TYR 21 HH TYR 21 4.592 -2.484 -2.830 170 H ALA 22 H ALA 22 -1.882 3.655 -3.704 171 HA ALA 22 HA ALA 22 -1.744 6.397 -4.359 172 HB1 ALA 22 HB1 ALA 22 -3.664 6.613 -2.842 173 HB2 ALA 22 HB2 ALA 22 -3.815 5.144 -3.825 174 HB3 ALA 22 HB3 ALA 22 -3.312 5.030 -2.120 175 H ASN 23 H ASN 23 -0.952 4.887 -1.181 176 HA ASN 23 HA ASN 23 1.014 6.886 -0.595 177 HB2 ASN 23 HB2 ASN 23 -0.033 7.939 1.312 178 HB3 ASN 23 HB3 ASN 23 -1.114 8.130 -0.050 179 HD21 ASN 23 HD21 ASN 23 -2.153 8.540 2.360 180 HD22 ASN 23 HD22 ASN 23 -3.207 7.198 2.792 181 H SER 24 H SER 24 1.498 6.660 2.004 182 HA SER 24 HA SER 24 2.615 4.078 2.352 183 HB2 SER 24 HB2 SER 24 3.005 4.865 4.710 184 HB3 SER 24 HB3 SER 24 3.582 5.978 3.455 185 HG SER 24 HG SER 24 2.388 7.048 5.129 186 H CYS 25 H CYS 25 -0.450 5.395 3.552 187 HA CYS 25 HA CYS 25 -1.123 3.399 5.448 188 HB2 CYS 25 HB2 CYS 25 -2.284 5.501 5.337 189 HB3 CYS 25 HB3 CYS 25 -2.840 5.189 3.697 190 H ILE 26 H ILE 26 -1.786 3.495 1.907 191 HA ILE 26 HA ILE 26 -3.230 0.971 2.028 192 HB ILE 26 HB ILE 26 -3.508 2.971 0.344 193 HG12 ILE 26 HG12 ILE 26 -4.165 1.196 -1.459 194 HG13 ILE 26 HG13 ILE 26 -3.589 0.006 -0.285 195 HG21 ILE 26 HG21 ILE 26 -1.463 1.394 -1.195 196 HG22 ILE 26 HG22 ILE 26 -2.500 2.700 -1.808 197 HG23 ILE 26 HG23 ILE 26 -1.293 3.063 -0.582 198 HD11 ILE 26 HD11 ILE 26 -6.038 0.300 -0.149 199 HD12 ILE 26 HD12 ILE 26 -5.297 0.864 1.356 200 HD13 ILE 26 HD13 ILE 26 -5.839 2.040 0.139 201 H ALA 27 H ALA 27 -0.063 2.057 1.000 202 HA ALA 27 HA ALA 27 0.997 -0.328 0.044 203 HB1 ALA 27 HB1 ALA 27 3.211 0.645 0.438 204 HB2 ALA 27 HB2 ALA 27 2.087 1.884 -0.153 205 HB3 ALA 27 HB3 ALA 27 2.520 1.827 1.567 206 H ARG 28 H ARG 28 1.204 0.852 3.392 207 HA ARG 28 HA ARG 28 2.463 -1.391 4.645 208 HB2 ARG 28 HB2 ARG 28 0.475 0.656 5.731 209 HB3 ARG 28 HB3 ARG 28 1.369 -0.475 6.735 210 HG2 ARG 28 HG2 ARG 28 3.185 1.022 4.962 211 HG3 ARG 28 HG3 ARG 28 2.186 2.113 5.914 212 HD2 ARG 28 HD2 ARG 28 3.773 -0.172 7.140 213 HD3 ARG 28 HD3 ARG 28 4.411 1.468 6.922 214 HE ARG 28 HE ARG 28 1.961 1.773 8.264 215 HH11 ARG 28 HH11 ARG 28 5.044 0.323 9.034 216 HH12 ARG 28 HH12 ARG 28 4.881 0.655 10.738 217 HH21 ARG 28 HH21 ARG 28 1.808 2.181 10.431 218 HH22 ARG 28 HH22 ARG 28 3.086 1.685 11.498 219 H CYS 29 H CYS 29 -0.973 -0.832 3.909 220 HA CYS 29 HA CYS 29 -1.891 -3.185 5.386 221 HB2 CYS 29 HB2 CYS 29 -3.250 -1.184 5.133 222 HB3 CYS 29 HB3 CYS 29 -3.260 -1.356 3.378 223 H ASN 30 H ASN 30 -0.939 -2.502 2.060 224 HA ASN 30 HA ASN 30 -1.875 -4.905 0.839 225 HB2 ASN 30 HB2 ASN 30 -0.500 -2.504 0.059 226 HB3 ASN 30 HB3 ASN 30 0.515 -3.824 -0.430 227 HD21 ASN 30 HD21 ASN 30 -2.769 -2.484 -0.677 228 HD22 ASN 30 HD22 ASN 30 -3.128 -3.287 -2.205 229 H GLY 31 H GLY 31 0.591 -4.652 3.150 230 HA2 GLY 31 HA2 GLY 31 1.702 -6.460 4.129 231 HA3 GLY 31 HA3 GLY 31 1.331 -7.468 2.737 232 H VAL 32 H VAL 32 2.857 -4.390 2.155 233 HA VAL 32 HA VAL 32 5.521 -5.655 1.677 234 HB VAL 32 HB VAL 32 5.049 -3.525 -0.214 235 HG11 VAL 32 HG11 VAL 32 5.674 -5.242 -1.842 236 HG12 VAL 32 HG12 VAL 32 6.728 -5.329 -0.421 237 HG13 VAL 32 HG13 VAL 32 5.418 -6.516 -0.630 238 HG21 VAL 32 HG21 VAL 32 3.384 -4.601 -1.695 239 HG22 VAL 32 HG22 VAL 32 2.962 -5.728 -0.408 240 HG23 VAL 32 HG23 VAL 32 2.692 -3.974 -0.197 241 H SER 33 H SER 33 7.348 -4.290 1.883 242 HA SER 33 HA SER 33 6.969 -1.935 3.639 243 HB2 SER 33 HB2 SER 33 9.504 -3.172 2.494 244 HB3 SER 33 HB3 SER 33 9.421 -1.911 3.730 245 HG SER 33 HG SER 33 8.307 -3.440 5.078 246 H ILE 34 H ILE 34 8.067 0.127 3.044 247 HA ILE 34 HA ILE 34 8.072 0.654 0.104 248 HB ILE 34 HB ILE 34 7.650 2.914 0.463 249 HG12 ILE 34 HG12 ILE 34 6.915 3.554 2.993 250 HG13 ILE 34 HG13 ILE 34 8.220 2.441 3.373 251 HG21 ILE 34 HG21 ILE 34 5.718 1.317 2.187 252 HG22 ILE 34 HG22 ILE 34 5.393 2.846 1.367 253 HG23 ILE 34 HG23 ILE 34 5.724 1.393 0.409 254 HD11 ILE 34 HD11 ILE 34 9.013 4.775 3.242 255 HD12 ILE 34 HD12 ILE 34 9.751 3.851 1.922 256 HD13 ILE 34 HD13 ILE 34 8.381 4.929 1.592 257 H LYS 35 H LYS 35 9.857 1.181 -0.879 258 HA LYS 35 HA LYS 35 12.398 1.115 0.674 259 HB2 LYS 35 HB2 LYS 35 11.766 -0.202 -1.593 260 HB3 LYS 35 HB3 LYS 35 12.313 1.299 -2.334 261 HG2 LYS 35 HG2 LYS 35 14.235 -0.061 -2.260 262 HG3 LYS 35 HG3 LYS 35 14.458 1.031 -0.886 263 HD2 LYS 35 HD2 LYS 35 13.449 -0.803 0.593 264 HD3 LYS 35 HD3 LYS 35 13.468 -1.866 -0.812 265 HE2 LYS 35 HE2 LYS 35 15.903 -0.512 0.446 266 HE3 LYS 35 HE3 LYS 35 15.391 -2.171 0.758 267 HZ1 LYS 35 HZ1 LYS 35 15.738 -2.651 -1.617 268 HZ2 LYS 35 HZ2 LYS 35 17.116 -2.139 -0.913 269 HZ3 LYS 35 HZ3 LYS 35 16.279 -1.128 -1.877 270 H SER 36 H SER 36 10.499 3.332 -1.243 271 HA SER 36 HA SER 36 11.774 5.596 0.008 272 HB2 SER 36 HB2 SER 36 13.340 5.040 -1.957 273 HB3 SER 36 HB3 SER 36 12.021 5.560 -3.022 274 HG SER 36 HG SER 36 13.537 7.248 -2.459 275 H GLU 37 H GLU 37 10.893 7.657 -0.983 276 HA GLU 37 HA GLU 37 7.940 7.533 -1.222 277 HB2 GLU 37 HB2 GLU 37 8.033 9.976 -0.939 278 HB3 GLU 37 HB3 GLU 37 8.799 9.105 0.388 279 HG2 GLU 37 HG2 GLU 37 11.037 9.626 -0.511 280 HG3 GLU 37 HG3 GLU 37 10.314 10.393 -1.925 281 H GLY 38 H GLY 38 6.794 8.762 -2.863 282 HA2 GLY 38 HA2 GLY 38 6.413 9.615 -4.976 283 HA3 GLY 38 HA3 GLY 38 8.125 9.464 -5.392 284 H SER 39 H SER 39 6.031 8.632 -7.119 285 HA SER 39 HA SER 39 5.627 5.773 -7.061 286 HB2 SER 39 HB2 SER 39 5.132 6.127 -9.525 287 HB3 SER 39 HB3 SER 39 4.136 7.012 -8.366 288 HG SER 39 HG SER 39 4.827 8.348 -10.107 289 H CYS 40 H CYS 40 6.661 4.162 -8.162 290 HA CYS 40 HA CYS 40 9.558 4.587 -8.505 291 HB2 CYS 40 HB2 CYS 40 7.937 2.414 -7.675 292 HB3 CYS 40 HB3 CYS 40 8.683 1.903 -9.179 293 HA PRO 41 HA PRO 41 9.331 4.964 -12.928 294 HB2 PRO 41 HB2 PRO 41 11.848 4.271 -13.722 295 HB3 PRO 41 HB3 PRO 41 11.491 5.775 -12.821 296 HG2 PRO 41 HG2 PRO 41 12.494 3.134 -11.708 297 HG3 PRO 41 HG3 PRO 41 13.127 4.781 -11.389 298 HD2 PRO 41 HD2 PRO 41 11.386 3.544 -9.695 299 HD3 PRO 41 HD3 PRO 41 11.305 5.304 -9.978 300 H THR 42 H THR 42 8.859 3.772 -14.731 301 HA THR 42 HA THR 42 8.615 0.841 -14.451 302 HB THR 42 HB THR 42 7.145 1.128 -16.494 303 HG1 THR 42 HG1 THR 42 6.472 3.271 -16.883 304 HG21 THR 42 HG21 THR 42 5.273 2.099 -15.244 305 HG22 THR 42 HG22 THR 42 6.389 2.762 -14.031 306 HG23 THR 42 HG23 THR 42 6.207 1.004 -14.213 307 H GLY 43 H GLY 43 10.978 2.740 -15.702 308 HA2 GLY 43 HA2 GLY 43 12.193 0.554 -17.160 309 HA3 GLY 43 HA3 GLY 43 11.608 1.779 -18.281 310 H ILE 44 H ILE 44 12.231 4.131 -17.226 311 HA ILE 44 HA ILE 44 14.988 4.486 -17.717 312 HB ILE 44 HB ILE 44 13.391 6.198 -18.173 313 HG12 ILE 44 HG12 ILE 44 15.279 7.303 -16.058 314 HG13 ILE 44 HG13 ILE 44 15.835 6.704 -17.625 315 HG21 ILE 44 HG21 ILE 44 11.822 5.905 -16.265 316 HG22 ILE 44 HG22 ILE 44 13.037 6.582 -15.163 317 HG23 ILE 44 HG23 ILE 44 12.318 7.582 -16.437 318 HD11 ILE 44 HD11 ILE 44 13.901 9.022 -17.220 319 HD12 ILE 44 HD12 ILE 44 15.602 9.116 -17.703 320 HD13 ILE 44 HD13 ILE 44 14.421 8.363 -18.793 Start of MODEL 13 1 H1 LYS 1 H1 LYS 1 -12.458 -9.462 -3.599 2 H2 LYS 1 H2 LYS 1 -11.564 -8.627 -2.530 3 H3 LYS 1 H3 LYS 1 -13.011 -9.237 -2.073 4 HA LYS 1 HA LYS 1 -12.523 -7.070 -4.004 5 HB2 LYS 1 HB2 LYS 1 -14.863 -6.877 -4.439 6 HB3 LYS 1 HB3 LYS 1 -14.275 -8.439 -4.935 7 HG2 LYS 1 HG2 LYS 1 -15.808 -8.037 -2.321 8 HG3 LYS 1 HG3 LYS 1 -16.592 -8.262 -3.873 9 HD2 LYS 1 HD2 LYS 1 -15.441 -10.461 -4.135 10 HD3 LYS 1 HD3 LYS 1 -14.798 -10.307 -2.493 11 HE2 LYS 1 HE2 LYS 1 -17.758 -10.269 -3.231 12 HE3 LYS 1 HE3 LYS 1 -16.878 -11.693 -2.675 13 HZ1 LYS 1 HZ1 LYS 1 -16.432 -10.529 -0.576 14 HZ2 LYS 1 HZ2 LYS 1 -18.034 -10.637 -0.841 15 HZ3 LYS 1 HZ3 LYS 1 -17.277 -9.217 -1.079 16 H LYS 2 H LYS 2 -11.364 -6.541 -1.712 17 HA LYS 2 HA LYS 2 -13.063 -4.448 -0.498 18 HB2 LYS 2 HB2 LYS 2 -13.207 -6.560 0.918 19 HB3 LYS 2 HB3 LYS 2 -11.467 -6.411 1.214 20 HG2 LYS 2 HG2 LYS 2 -11.903 -4.138 2.213 21 HG3 LYS 2 HG3 LYS 2 -13.632 -4.386 1.965 22 HD2 LYS 2 HD2 LYS 2 -11.812 -6.084 3.748 23 HD3 LYS 2 HD3 LYS 2 -12.847 -4.767 4.278 24 HE2 LYS 2 HE2 LYS 2 -14.266 -6.438 4.780 25 HE3 LYS 2 HE3 LYS 2 -14.781 -6.168 3.115 26 HZ1 LYS 2 HZ1 LYS 2 -12.858 -8.262 4.017 27 HZ2 LYS 2 HZ2 LYS 2 -13.348 -8.064 2.470 28 HZ3 LYS 2 HZ3 LYS 2 -14.412 -8.532 3.613 29 H VAL 3 H VAL 3 -11.839 -2.758 0.398 30 HA VAL 3 HA VAL 3 -8.900 -2.683 -0.136 31 HB VAL 3 HB VAL 3 -10.793 -0.386 -0.752 32 HG11 VAL 3 HG11 VAL 3 -8.822 0.562 -1.929 33 HG12 VAL 3 HG12 VAL 3 -8.521 0.363 -0.209 34 HG13 VAL 3 HG13 VAL 3 -7.837 -0.804 -1.370 35 HG21 VAL 3 HG21 VAL 3 -11.201 -2.121 -2.443 36 HG22 VAL 3 HG22 VAL 3 -10.274 -0.806 -3.158 37 HG23 VAL 3 HG23 VAL 3 -9.451 -2.316 -2.700 38 H CYS 4 H CYS 4 -7.731 -1.499 1.357 39 HA CYS 4 HA CYS 4 -8.871 -1.263 3.998 40 HB2 CYS 4 HB2 CYS 4 -6.212 -0.168 3.020 41 HB3 CYS 4 HB3 CYS 4 -6.688 -0.523 4.677 42 H ALA 5 H ALA 5 -9.577 0.491 5.128 43 HA ALA 5 HA ALA 5 -10.355 2.907 3.760 44 HB1 ALA 5 HB1 ALA 5 -11.209 3.563 5.975 45 HB2 ALA 5 HB2 ALA 5 -11.697 1.913 5.546 46 HB3 ALA 5 HB3 ALA 5 -10.383 2.174 6.718 47 H CYS 6 H CYS 6 -8.634 4.048 2.968 48 HA CYS 6 HA CYS 6 -6.757 5.320 4.875 49 HB2 CYS 6 HB2 CYS 6 -6.322 4.304 2.045 50 HB3 CYS 6 HB3 CYS 6 -5.223 5.402 2.847 51 HA PRO 7 HA PRO 7 -8.299 9.111 3.421 52 HB2 PRO 7 HB2 PRO 7 -6.170 10.823 3.634 53 HB3 PRO 7 HB3 PRO 7 -6.969 10.027 5.029 54 HG2 PRO 7 HG2 PRO 7 -4.455 9.156 3.592 55 HG3 PRO 7 HG3 PRO 7 -4.705 9.375 5.357 56 HD2 PRO 7 HD2 PRO 7 -4.928 6.944 4.208 57 HD3 PRO 7 HD3 PRO 7 -6.074 7.417 5.486 58 H LYS 8 H LYS 8 -8.200 10.896 1.930 59 HA LYS 8 HA LYS 8 -7.859 10.012 -0.802 60 HB2 LYS 8 HB2 LYS 8 -8.694 12.672 0.439 61 HB3 LYS 8 HB3 LYS 8 -8.812 12.349 -1.281 62 HG2 LYS 8 HG2 LYS 8 -10.256 10.681 0.818 63 HG3 LYS 8 HG3 LYS 8 -10.953 12.107 0.071 64 HD2 LYS 8 HD2 LYS 8 -9.982 9.687 -1.515 65 HD3 LYS 8 HD3 LYS 8 -11.633 9.866 -0.943 66 HE2 LYS 8 HE2 LYS 8 -10.254 11.878 -2.782 67 HE3 LYS 8 HE3 LYS 8 -11.227 10.523 -3.355 68 HZ1 LYS 8 HZ1 LYS 8 -12.247 12.717 -1.628 69 HZ2 LYS 8 HZ2 LYS 8 -13.131 11.440 -2.146 70 HZ3 LYS 8 HZ3 LYS 8 -12.561 12.528 -3.217 71 H ILE 9 H ILE 9 -5.609 11.438 1.138 72 HA ILE 9 HA ILE 9 -4.501 13.474 -0.366 73 HB ILE 9 HB ILE 9 -2.638 13.291 1.134 74 HG12 ILE 9 HG12 ILE 9 -3.000 11.412 3.051 75 HG13 ILE 9 HG13 ILE 9 -3.565 10.487 1.663 76 HG21 ILE 9 HG21 ILE 9 -3.761 13.685 3.206 77 HG22 ILE 9 HG22 ILE 9 -4.763 14.305 1.886 78 HG23 ILE 9 HG23 ILE 9 -5.187 12.773 2.683 79 HD11 ILE 9 HD11 ILE 9 -0.862 11.899 1.890 80 HD12 ILE 9 HD12 ILE 9 -1.142 10.172 2.152 81 HD13 ILE 9 HD13 ILE 9 -1.379 10.864 0.538 82 H LEU 10 H LEU 10 -2.549 13.645 -1.417 83 HA LEU 10 HA LEU 10 -1.979 11.353 -3.272 84 HB2 LEU 10 HB2 LEU 10 -1.837 14.340 -3.800 85 HB3 LEU 10 HB3 LEU 10 -1.558 13.054 -4.973 86 HG LEU 10 HG LEU 10 -4.225 13.575 -3.564 87 HD11 LEU 10 HD11 LEU 10 -4.940 14.469 -5.741 88 HD12 LEU 10 HD12 LEU 10 -3.287 14.272 -6.373 89 HD13 LEU 10 HD13 LEU 10 -3.614 15.414 -5.047 90 HD21 LEU 10 HD21 LEU 10 -5.116 12.121 -5.425 91 HD22 LEU 10 HD22 LEU 10 -4.118 11.254 -4.249 92 HD23 LEU 10 HD23 LEU 10 -3.436 11.696 -5.839 93 H LYS 11 H LYS 11 -0.342 10.501 -1.905 94 HA LYS 11 HA LYS 11 2.322 11.771 -2.279 95 HB2 LYS 11 HB2 LYS 11 1.153 10.884 0.391 96 HB3 LYS 11 HB3 LYS 11 2.875 11.045 0.066 97 HG2 LYS 11 HG2 LYS 11 2.486 13.440 -0.607 98 HG3 LYS 11 HG3 LYS 11 0.820 13.278 -0.010 99 HD2 LYS 11 HD2 LYS 11 1.665 12.678 2.230 100 HD3 LYS 11 HD3 LYS 11 3.336 12.786 1.665 101 HE2 LYS 11 HE2 LYS 11 1.335 15.095 1.673 102 HE3 LYS 11 HE3 LYS 11 2.530 14.794 2.941 103 HZ1 LYS 11 HZ1 LYS 11 4.285 15.076 1.258 104 HZ2 LYS 11 HZ2 LYS 11 3.367 16.419 1.373 105 HZ3 LYS 11 HZ3 LYS 11 3.173 15.413 0.105 106 HA PRO 12 HA PRO 12 1.936 7.300 -3.356 107 HB2 PRO 12 HB2 PRO 12 3.412 7.339 -5.711 108 HB3 PRO 12 HB3 PRO 12 1.652 7.641 -5.596 109 HG2 PRO 12 HG2 PRO 12 3.895 9.674 -5.687 110 HG3 PRO 12 HG3 PRO 12 2.359 9.669 -6.613 111 HD2 PRO 12 HD2 PRO 12 2.646 11.164 -4.371 112 HD3 PRO 12 HD3 PRO 12 1.105 10.318 -4.710 113 H VAL 13 H VAL 13 3.564 5.665 -3.654 114 HA VAL 13 HA VAL 13 6.306 6.186 -2.690 115 HB VAL 13 HB VAL 13 6.055 4.532 -0.853 116 HG11 VAL 13 HG11 VAL 13 5.044 5.977 0.790 117 HG12 VAL 13 HG12 VAL 13 5.927 6.978 -0.374 118 HG13 VAL 13 HG13 VAL 13 4.157 6.874 -0.455 119 HG21 VAL 13 HG21 VAL 13 3.049 4.767 -1.363 120 HG22 VAL 13 HG22 VAL 13 4.045 3.303 -1.522 121 HG23 VAL 13 HG23 VAL 13 3.788 4.034 0.065 122 H CYS 14 H CYS 14 7.700 4.407 -2.960 123 HA CYS 14 HA CYS 14 6.703 2.354 -4.896 124 HB2 CYS 14 HB2 CYS 14 8.488 3.781 -5.733 125 HB3 CYS 14 HB3 CYS 14 9.525 3.338 -4.369 126 H GLY 15 H GLY 15 6.429 0.371 -4.191 127 HA2 GLY 15 HA2 GLY 15 7.126 -0.517 -1.502 128 HA3 GLY 15 HA3 GLY 15 6.362 -1.476 -2.759 129 H SER 16 H SER 16 8.291 -2.557 -1.064 130 HA SER 16 HA SER 16 10.874 -2.764 -2.125 131 HB2 SER 16 HB2 SER 16 10.999 -4.909 -0.925 132 HB3 SER 16 HB3 SER 16 10.325 -3.593 0.052 133 HG SER 16 HG SER 16 9.145 -5.613 0.182 134 H ASP 17 H ASP 17 7.977 -4.167 -3.427 135 HA ASP 17 HA ASP 17 9.319 -6.046 -5.251 136 HB2 ASP 17 HB2 ASP 17 7.005 -6.366 -4.355 137 HB3 ASP 17 HB3 ASP 17 6.479 -4.955 -5.272 138 H GLY 18 H GLY 18 8.474 -2.659 -5.344 139 HA2 GLY 18 HA2 GLY 18 9.574 -1.162 -6.883 140 HA3 GLY 18 HA3 GLY 18 9.444 -2.372 -8.160 141 H ARG 19 H ARG 19 6.577 -2.565 -6.697 142 HA ARG 19 HA ARG 19 5.128 -1.017 -8.687 143 HB2 ARG 19 HB2 ARG 19 4.585 -3.301 -7.598 144 HB3 ARG 19 HB3 ARG 19 4.012 -2.391 -6.212 145 HG2 ARG 19 HG2 ARG 19 2.917 -1.537 -8.876 146 HG3 ARG 19 HG3 ARG 19 2.502 -3.178 -8.399 147 HD2 ARG 19 HD2 ARG 19 1.387 -2.493 -6.435 148 HD3 ARG 19 HD3 ARG 19 2.036 -0.849 -6.514 149 HE ARG 19 HE ARG 19 0.679 -1.006 -8.875 150 HH11 ARG 19 HH11 ARG 19 -0.385 -1.615 -5.626 151 HH12 ARG 19 HH12 ARG 19 -2.038 -1.152 -5.970 152 HH21 ARG 19 HH21 ARG 19 -1.391 -0.362 -9.260 153 HH22 ARG 19 HH22 ARG 19 -2.571 -0.429 -7.984 154 H THR 20 H THR 20 3.570 0.523 -8.226 155 HA THR 20 HA THR 20 4.196 2.423 -5.982 156 HB THR 20 HB THR 20 3.111 3.015 -8.753 157 HG1 THR 20 HG1 THR 20 5.278 2.595 -8.764 158 HG21 THR 20 HG21 THR 20 3.433 5.383 -8.169 159 HG22 THR 20 HG22 THR 20 3.821 4.931 -6.489 160 HG23 THR 20 HG23 THR 20 2.193 4.660 -7.157 161 H TYR 21 H TYR 21 2.640 3.109 -4.614 162 HA TYR 21 HA TYR 21 -0.217 2.489 -5.177 163 HB2 TYR 21 HB2 TYR 21 0.871 2.497 -2.373 164 HB3 TYR 21 HB3 TYR 21 -0.544 1.718 -3.075 165 HD1 TYR 21 HD2 TYR 21 3.209 1.528 -3.045 166 HD2 TYR 21 HD1 TYR 21 -0.520 -0.596 -3.493 167 HE1 TYR 21 HE2 TYR 21 4.447 -0.603 -3.307 168 HE2 TYR 21 HE1 TYR 21 0.741 -2.750 -3.689 169 HH TYR 21 HH TYR 21 2.825 -3.733 -3.844 170 H ALA 22 H ALA 22 -1.676 3.792 -3.601 171 HA ALA 22 HA ALA 22 -1.434 6.528 -4.281 172 HB1 ALA 22 HB1 ALA 22 -3.569 5.342 -3.901 173 HB2 ALA 22 HB2 ALA 22 -3.192 5.201 -2.166 174 HB3 ALA 22 HB3 ALA 22 -3.449 6.797 -2.896 175 H ASN 23 H ASN 23 -0.833 4.989 -1.084 176 HA ASN 23 HA ASN 23 1.092 7.000 -0.374 177 HB2 ASN 23 HB2 ASN 23 0.007 7.937 1.549 178 HB3 ASN 23 HB3 ASN 23 -1.082 8.154 0.196 179 HD21 ASN 23 HD21 ASN 23 -2.053 8.410 2.731 180 HD22 ASN 23 HD22 ASN 23 -3.109 7.040 3.047 181 H SER 24 H SER 24 1.543 6.635 2.208 182 HA SER 24 HA SER 24 2.704 4.047 2.457 183 HB2 SER 24 HB2 SER 24 3.019 4.750 4.857 184 HB3 SER 24 HB3 SER 24 3.610 5.921 3.661 185 HG SER 24 HG SER 24 2.363 6.928 5.323 186 H CYS 25 H CYS 25 -0.348 5.318 3.746 187 HA CYS 25 HA CYS 25 -1.066 3.253 5.517 188 HB2 CYS 25 HB2 CYS 25 -2.207 5.383 5.442 189 HB3 CYS 25 HB3 CYS 25 -2.776 5.084 3.804 190 H ILE 26 H ILE 26 -1.718 3.483 1.983 191 HA ILE 26 HA ILE 26 -3.220 0.998 2.004 192 HB ILE 26 HB ILE 26 -3.439 3.066 0.389 193 HG12 ILE 26 HG12 ILE 26 -4.083 1.369 -1.495 194 HG13 ILE 26 HG13 ILE 26 -3.539 0.128 -0.359 195 HG21 ILE 26 HG21 ILE 26 -2.407 2.875 -1.750 196 HG22 ILE 26 HG22 ILE 26 -1.210 3.156 -0.492 197 HG23 ILE 26 HG23 ILE 26 -1.411 1.520 -1.174 198 HD11 ILE 26 HD11 ILE 26 -5.988 0.434 -0.268 199 HD12 ILE 26 HD12 ILE 26 -5.274 0.918 1.278 200 HD13 ILE 26 HD13 ILE 26 -5.783 2.158 0.110 201 H ALA 27 H ALA 27 -0.023 2.036 0.993 202 HA ALA 27 HA ALA 27 0.933 -0.374 -0.037 203 HB1 ALA 27 HB1 ALA 27 3.197 0.543 0.325 204 HB2 ALA 27 HB2 ALA 27 2.088 1.776 -0.299 205 HB3 ALA 27 HB3 ALA 27 2.532 1.773 1.421 206 H ARG 28 H ARG 28 1.228 0.781 3.305 207 HA ARG 28 HA ARG 28 2.436 -1.532 4.512 208 HB2 ARG 28 HB2 ARG 28 0.587 0.622 5.637 209 HB3 ARG 28 HB3 ARG 28 1.429 -0.554 6.635 210 HG2 ARG 28 HG2 ARG 28 2.895 1.374 4.773 211 HG3 ARG 28 HG3 ARG 28 2.482 1.783 6.425 212 HD2 ARG 28 HD2 ARG 28 4.190 -0.605 5.588 213 HD3 ARG 28 HD3 ARG 28 4.827 0.969 6.086 214 HE ARG 28 HE ARG 28 3.190 0.226 8.197 215 HH11 ARG 28 HH11 ARG 28 6.006 -1.213 6.725 216 HH12 ARG 28 HH12 ARG 28 6.510 -1.985 8.205 217 HH21 ARG 28 HH21 ARG 28 3.861 -0.776 10.051 218 HH22 ARG 28 HH22 ARG 28 5.315 -1.729 10.044 219 H CYS 29 H CYS 29 -0.994 -0.770 3.875 220 HA CYS 29 HA CYS 29 -1.978 -3.033 5.419 221 HB2 CYS 29 HB2 CYS 29 -3.193 -0.854 4.892 222 HB3 CYS 29 HB3 CYS 29 -3.464 -1.493 3.269 223 H ASN 30 H ASN 30 -1.032 -2.522 2.078 224 HA ASN 30 HA ASN 30 -2.030 -4.947 0.934 225 HB2 ASN 30 HB2 ASN 30 -0.570 -2.600 0.093 226 HB3 ASN 30 HB3 ASN 30 0.380 -3.978 -0.366 227 HD21 ASN 30 HD21 ASN 30 -2.861 -2.519 -0.617 228 HD22 ASN 30 HD22 ASN 30 -3.273 -3.362 -2.110 229 H GLY 31 H GLY 31 0.432 -4.636 3.256 230 HA2 GLY 31 HA2 GLY 31 1.497 -6.451 4.295 231 HA3 GLY 31 HA3 GLY 31 1.199 -7.463 2.889 232 H VAL 32 H VAL 32 2.664 -4.368 2.256 233 HA VAL 32 HA VAL 32 5.353 -5.600 1.859 234 HB VAL 32 HB VAL 32 5.050 -3.504 -0.000 235 HG11 VAL 32 HG11 VAL 32 4.847 -6.509 -0.461 236 HG12 VAL 32 HG12 VAL 32 5.325 -5.284 -1.660 237 HG13 VAL 32 HG13 VAL 32 6.360 -5.601 -0.261 238 HG21 VAL 32 HG21 VAL 32 2.635 -5.328 -0.254 239 HG22 VAL 32 HG22 VAL 32 2.616 -3.581 0.122 240 HG23 VAL 32 HG23 VAL 32 3.208 -4.148 -1.437 241 H SER 33 H SER 33 7.154 -4.148 1.849 242 HA SER 33 HA SER 33 6.844 -1.811 3.686 243 HB2 SER 33 HB2 SER 33 9.359 -3.103 2.555 244 HB3 SER 33 HB3 SER 33 9.280 -1.873 3.822 245 HG SER 33 HG SER 33 8.197 -3.398 5.155 246 H ILE 34 H ILE 34 7.813 0.220 3.040 247 HA ILE 34 HA ILE 34 7.873 0.663 0.096 248 HB ILE 34 HB ILE 34 7.699 2.961 0.422 249 HG12 ILE 34 HG12 ILE 34 7.155 3.678 2.996 250 HG13 ILE 34 HG13 ILE 34 8.403 2.478 3.297 251 HG21 ILE 34 HG21 ILE 34 5.493 3.122 1.421 252 HG22 ILE 34 HG22 ILE 34 5.641 1.616 0.499 253 HG23 ILE 34 HG23 ILE 34 5.715 1.590 2.277 254 HD11 ILE 34 HD11 ILE 34 8.610 4.929 1.474 255 HD12 ILE 34 HD12 ILE 34 9.358 4.740 3.073 256 HD13 ILE 34 HD13 ILE 34 9.915 3.752 1.709 257 H LYS 35 H LYS 35 9.674 0.977 -0.999 258 HA LYS 35 HA LYS 35 12.298 0.868 0.382 259 HB2 LYS 35 HB2 LYS 35 11.237 0.230 -2.341 260 HB3 LYS 35 HB3 LYS 35 12.791 1.032 -2.350 261 HG2 LYS 35 HG2 LYS 35 12.182 -1.494 -0.753 262 HG3 LYS 35 HG3 LYS 35 12.952 -1.444 -2.350 263 HD2 LYS 35 HD2 LYS 35 14.756 0.039 -1.314 264 HD3 LYS 35 HD3 LYS 35 14.052 -0.359 0.271 265 HE2 LYS 35 HE2 LYS 35 14.383 -2.776 -0.194 266 HE3 LYS 35 HE3 LYS 35 15.101 -2.371 -1.761 267 HZ1 LYS 35 HZ1 LYS 35 16.204 -1.559 0.880 268 HZ2 LYS 35 HZ2 LYS 35 16.863 -1.173 -0.566 269 HZ3 LYS 35 HZ3 LYS 35 16.814 -2.729 -0.079 270 H SER 36 H SER 36 10.328 3.107 -1.503 271 HA SER 36 HA SER 36 11.812 5.339 -0.380 272 HB2 SER 36 HB2 SER 36 13.132 4.640 -2.471 273 HB3 SER 36 HB3 SER 36 11.742 5.206 -3.416 274 HG SER 36 HG SER 36 13.401 6.817 -3.062 275 H GLU 37 H GLU 37 10.944 7.416 -1.269 276 HA GLU 37 HA GLU 37 7.974 7.441 -1.278 277 HB2 GLU 37 HB2 GLU 37 8.190 9.844 -0.914 278 HB3 GLU 37 HB3 GLU 37 9.084 8.928 0.297 279 HG2 GLU 37 HG2 GLU 37 11.212 9.389 -0.930 280 HG3 GLU 37 HG3 GLU 37 10.310 10.318 -2.130 281 H GLY 38 H GLY 38 6.783 8.726 -2.827 282 HA2 GLY 38 HA2 GLY 38 6.285 9.636 -4.880 283 HA3 GLY 38 HA3 GLY 38 7.982 9.568 -5.365 284 H SER 39 H SER 39 6.126 8.861 -7.205 285 HA SER 39 HA SER 39 5.599 6.032 -7.361 286 HB2 SER 39 HB2 SER 39 5.940 7.966 -9.675 287 HB3 SER 39 HB3 SER 39 5.029 6.446 -9.661 288 HG SER 39 HG SER 39 3.673 8.314 -9.420 289 H CYS 40 H CYS 40 6.776 4.382 -8.278 290 HA CYS 40 HA CYS 40 9.651 4.777 -8.488 291 HB2 CYS 40 HB2 CYS 40 7.872 2.579 -8.075 292 HB3 CYS 40 HB3 CYS 40 8.799 2.211 -9.512 293 HA PRO 41 HA PRO 41 9.895 5.430 -12.910 294 HB2 PRO 41 HB2 PRO 41 12.434 4.597 -13.489 295 HB3 PRO 41 HB3 PRO 41 12.098 6.036 -12.483 296 HG2 PRO 41 HG2 PRO 41 12.717 3.215 -11.542 297 HG3 PRO 41 HG3 PRO 41 13.489 4.748 -11.017 298 HD2 PRO 41 HD2 PRO 41 11.466 3.588 -9.613 299 HD3 PRO 41 HD3 PRO 41 11.598 5.364 -9.741 300 H THR 42 H THR 42 10.366 4.294 -14.984 301 HA THR 42 HA THR 42 9.472 1.429 -14.903 302 HB THR 42 HB THR 42 9.131 3.238 -17.299 303 HG1 THR 42 HG1 THR 42 8.125 4.269 -15.555 304 HG21 THR 42 HG21 THR 42 8.592 0.842 -17.671 305 HG22 THR 42 HG22 THR 42 7.120 1.810 -17.666 306 HG23 THR 42 HG23 THR 42 7.544 0.848 -16.235 307 H GLY 43 H GLY 43 12.277 3.065 -15.347 308 HA2 GLY 43 HA2 GLY 43 13.311 1.493 -17.668 309 HA3 GLY 43 HA3 GLY 43 14.086 2.878 -16.915 310 H ILE 44 H ILE 44 14.936 2.551 -14.707 311 HA ILE 44 HA ILE 44 16.761 0.364 -14.616 312 HB ILE 44 HB ILE 44 17.023 2.729 -13.790 313 HG12 ILE 44 HG12 ILE 44 18.781 1.114 -13.562 314 HG13 ILE 44 HG13 ILE 44 18.742 2.285 -12.259 315 HG21 ILE 44 HG21 ILE 44 15.796 1.719 -11.205 316 HG22 ILE 44 HG22 ILE 44 16.587 3.281 -11.479 317 HG23 ILE 44 HG23 ILE 44 15.075 2.895 -12.316 318 HD11 ILE 44 HD11 ILE 44 19.350 0.165 -11.344 319 HD12 ILE 44 HD12 ILE 44 17.720 0.532 -10.756 320 HD13 ILE 44 HD13 ILE 44 17.965 -0.645 -12.073 Start of MODEL 14 1 H1 LYS 1 H1 LYS 1 -15.718 -8.619 0.676 2 H2 LYS 1 H2 LYS 1 -15.210 -7.695 1.912 3 H3 LYS 1 H3 LYS 1 -16.574 -7.295 1.096 4 HA LYS 1 HA LYS 1 -13.818 -7.262 0.038 5 HB2 LYS 1 HB2 LYS 1 -16.381 -6.540 -1.444 6 HB3 LYS 1 HB3 LYS 1 -14.734 -6.406 -2.059 7 HG2 LYS 1 HG2 LYS 1 -14.463 -8.842 -2.000 8 HG3 LYS 1 HG3 LYS 1 -16.093 -9.032 -1.318 9 HD2 LYS 1 HD2 LYS 1 -17.045 -7.884 -3.325 10 HD3 LYS 1 HD3 LYS 1 -15.439 -7.848 -4.057 11 HE2 LYS 1 HE2 LYS 1 -16.938 -10.373 -3.202 12 HE3 LYS 1 HE3 LYS 1 -16.948 -9.710 -4.836 13 HZ1 LYS 1 HZ1 LYS 1 -14.529 -10.027 -4.920 14 HZ2 LYS 1 HZ2 LYS 1 -15.287 -11.444 -4.648 15 HZ3 LYS 1 HZ3 LYS 1 -14.526 -10.688 -3.422 16 H LYS 2 H LYS 2 -13.745 -5.877 2.194 17 HA LYS 2 HA LYS 2 -14.678 -3.055 1.799 18 HB2 LYS 2 HB2 LYS 2 -13.497 -4.616 4.141 19 HB3 LYS 2 HB3 LYS 2 -13.432 -2.864 4.091 20 HG2 LYS 2 HG2 LYS 2 -15.300 -3.466 5.402 21 HG3 LYS 2 HG3 LYS 2 -15.885 -2.717 3.917 22 HD2 LYS 2 HD2 LYS 2 -16.504 -4.902 3.008 23 HD3 LYS 2 HD3 LYS 2 -15.816 -5.736 4.411 24 HE2 LYS 2 HE2 LYS 2 -18.123 -3.733 4.520 25 HE3 LYS 2 HE3 LYS 2 -18.341 -5.477 4.369 26 HZ1 LYS 2 HZ1 LYS 2 -18.509 -4.808 6.674 27 HZ2 LYS 2 HZ2 LYS 2 -17.027 -4.133 6.669 28 HZ3 LYS 2 HZ3 LYS 2 -17.193 -5.753 6.503 29 H VAL 3 H VAL 3 -13.207 -1.365 1.826 30 HA VAL 3 HA VAL 3 -10.413 -1.954 0.898 31 HB VAL 3 HB VAL 3 -11.923 0.683 0.785 32 HG11 VAL 3 HG11 VAL 3 -9.504 1.056 0.813 33 HG12 VAL 3 HG12 VAL 3 -9.266 -0.187 -0.442 34 HG13 VAL 3 HG13 VAL 3 -10.112 1.329 -0.812 35 HG21 VAL 3 HG21 VAL 3 -12.025 0.277 -1.673 36 HG22 VAL 3 HG22 VAL 3 -11.352 -1.349 -1.422 37 HG23 VAL 3 HG23 VAL 3 -12.956 -0.926 -0.779 38 H CYS 4 H CYS 4 -8.678 -1.055 1.991 39 HA CYS 4 HA CYS 4 -8.937 -0.857 4.851 40 HB2 CYS 4 HB2 CYS 4 -7.000 -1.740 3.464 41 HB3 CYS 4 HB3 CYS 4 -6.531 -0.051 3.204 42 H ALA 5 H ALA 5 -8.783 0.889 6.233 43 HA ALA 5 HA ALA 5 -9.793 3.424 5.262 44 HB1 ALA 5 HB1 ALA 5 -9.849 4.002 7.653 45 HB2 ALA 5 HB2 ALA 5 -10.575 2.413 7.341 46 HB3 ALA 5 HB3 ALA 5 -8.943 2.520 8.041 47 H CYS 6 H CYS 6 -8.175 4.176 3.870 48 HA CYS 6 HA CYS 6 -5.856 5.509 5.141 49 HB2 CYS 6 HB2 CYS 6 -6.077 4.122 2.439 50 HB3 CYS 6 HB3 CYS 6 -4.741 5.142 2.915 51 HA PRO 7 HA PRO 7 -7.465 9.162 3.444 52 HB2 PRO 7 HB2 PRO 7 -5.274 10.732 3.046 53 HB3 PRO 7 HB3 PRO 7 -5.783 10.139 4.663 54 HG2 PRO 7 HG2 PRO 7 -3.672 8.971 2.840 55 HG3 PRO 7 HG3 PRO 7 -3.520 9.403 4.577 56 HD2 PRO 7 HD2 PRO 7 -4.085 6.878 3.800 57 HD3 PRO 7 HD3 PRO 7 -4.880 7.560 5.242 58 H LYS 8 H LYS 8 -7.759 10.593 1.673 59 HA LYS 8 HA LYS 8 -7.557 9.438 -0.959 60 HB2 LYS 8 HB2 LYS 8 -9.439 10.853 0.148 61 HB3 LYS 8 HB3 LYS 8 -8.410 12.249 -0.139 62 HG2 LYS 8 HG2 LYS 8 -10.050 12.185 -1.835 63 HG3 LYS 8 HG3 LYS 8 -8.541 11.739 -2.619 64 HD2 LYS 8 HD2 LYS 8 -9.220 9.324 -2.498 65 HD3 LYS 8 HD3 LYS 8 -10.730 9.814 -1.692 66 HE2 LYS 8 HE2 LYS 8 -11.273 11.236 -3.698 67 HE3 LYS 8 HE3 LYS 8 -9.821 10.608 -4.496 68 HZ1 LYS 8 HZ1 LYS 8 -10.790 8.367 -4.312 69 HZ2 LYS 8 HZ2 LYS 8 -11.787 9.353 -5.154 70 HZ3 LYS 8 HZ3 LYS 8 -12.139 8.973 -3.606 71 H ILE 9 H ILE 9 -5.361 11.145 0.720 72 HA ILE 9 HA ILE 9 -4.389 13.173 -0.993 73 HB ILE 9 HB ILE 9 -2.764 11.611 1.010 74 HG12 ILE 9 HG12 ILE 9 -4.186 14.274 1.500 75 HG13 ILE 9 HG13 ILE 9 -4.939 12.742 1.907 76 HG21 ILE 9 HG21 ILE 9 -1.341 12.972 -0.464 77 HG22 ILE 9 HG22 ILE 9 -2.330 14.409 -0.128 78 HG23 ILE 9 HG23 ILE 9 -1.352 13.655 1.146 79 HD11 ILE 9 HD11 ILE 9 -3.955 13.628 3.898 80 HD12 ILE 9 HD12 ILE 9 -3.036 12.187 3.419 81 HD13 ILE 9 HD13 ILE 9 -2.373 13.814 3.128 82 H LEU 10 H LEU 10 -3.151 13.258 -2.561 83 HA LEU 10 HA LEU 10 -2.177 10.911 -4.077 84 HB2 LEU 10 HB2 LEU 10 -1.643 12.695 -5.840 85 HB3 LEU 10 HB3 LEU 10 -3.300 12.271 -5.488 86 HG LEU 10 HG LEU 10 -3.659 14.329 -4.222 87 HD11 LEU 10 HD11 LEU 10 -2.042 16.184 -4.287 88 HD12 LEU 10 HD12 LEU 10 -0.826 15.113 -5.017 89 HD13 LEU 10 HD13 LEU 10 -1.402 14.825 -3.359 90 HD21 LEU 10 HD21 LEU 10 -2.416 14.805 -6.958 91 HD22 LEU 10 HD22 LEU 10 -3.570 15.870 -6.123 92 HD23 LEU 10 HD23 LEU 10 -4.079 14.258 -6.644 93 H LYS 11 H LYS 11 -0.713 10.506 -2.200 94 HA LYS 11 HA LYS 11 1.993 11.743 -2.672 95 HB2 LYS 11 HB2 LYS 11 0.533 11.272 -0.080 96 HB3 LYS 11 HB3 LYS 11 2.277 11.129 -0.104 97 HG2 LYS 11 HG2 LYS 11 0.839 13.597 -1.146 98 HG3 LYS 11 HG3 LYS 11 1.336 13.409 0.533 99 HD2 LYS 11 HD2 LYS 11 3.246 13.364 -1.850 100 HD3 LYS 11 HD3 LYS 11 2.922 14.755 -0.814 101 HE2 LYS 11 HE2 LYS 11 3.738 13.498 1.166 102 HE3 LYS 11 HE3 LYS 11 4.087 12.100 0.141 103 HZ1 LYS 11 HZ1 LYS 11 5.682 13.481 -1.084 104 HZ2 LYS 11 HZ2 LYS 11 6.070 13.418 0.498 105 HZ3 LYS 11 HZ3 LYS 11 5.377 14.763 -0.114 106 HA PRO 12 HA PRO 12 1.879 7.210 -3.451 107 HB2 PRO 12 HB2 PRO 12 3.384 7.179 -5.776 108 HB3 PRO 12 HB3 PRO 12 1.618 7.464 -5.728 109 HG2 PRO 12 HG2 PRO 12 3.845 9.517 -5.825 110 HG3 PRO 12 HG3 PRO 12 2.361 9.441 -6.832 111 HD2 PRO 12 HD2 PRO 12 2.499 11.044 -4.662 112 HD3 PRO 12 HD3 PRO 12 0.997 10.144 -5.037 113 H VAL 13 H VAL 13 3.614 5.650 -3.646 114 HA VAL 13 HA VAL 13 6.299 6.406 -2.649 115 HB VAL 13 HB VAL 13 6.122 4.769 -0.798 116 HG11 VAL 13 HG11 VAL 13 3.986 6.910 -0.500 117 HG12 VAL 13 HG12 VAL 13 4.994 6.172 0.760 118 HG13 VAL 13 HG13 VAL 13 5.733 7.226 -0.440 119 HG21 VAL 13 HG21 VAL 13 3.835 4.118 0.033 120 HG22 VAL 13 HG22 VAL 13 3.144 4.686 -1.488 121 HG23 VAL 13 HG23 VAL 13 4.299 3.332 -1.481 122 H CYS 14 H CYS 14 7.854 4.758 -2.878 123 HA CYS 14 HA CYS 14 7.164 2.720 -4.944 124 HB2 CYS 14 HB2 CYS 14 9.080 4.147 -5.417 125 HB3 CYS 14 HB3 CYS 14 9.851 3.680 -3.893 126 H GLY 15 H GLY 15 6.587 0.798 -4.291 127 HA2 GLY 15 HA2 GLY 15 6.926 -0.314 -1.664 128 HA3 GLY 15 HA3 GLY 15 6.413 -1.162 -3.123 129 H SER 16 H SER 16 7.974 -2.322 -1.155 130 HA SER 16 HA SER 16 10.706 -2.627 -1.749 131 HB2 SER 16 HB2 SER 16 9.539 -3.572 0.196 132 HB3 SER 16 HB3 SER 16 8.762 -4.772 -0.850 133 HG SER 16 HG SER 16 11.555 -4.458 -0.313 134 H ASP 17 H ASP 17 7.925 -4.011 -3.418 135 HA ASP 17 HA ASP 17 9.437 -5.766 -5.205 136 HB2 ASP 17 HB2 ASP 17 7.089 -6.163 -4.424 137 HB3 ASP 17 HB3 ASP 17 6.569 -4.756 -5.351 138 H GLY 18 H GLY 18 8.649 -2.403 -5.210 139 HA2 GLY 18 HA2 GLY 18 9.677 -0.807 -6.655 140 HA3 GLY 18 HA3 GLY 18 9.716 -1.992 -7.963 141 H ARG 19 H ARG 19 6.786 -2.399 -6.728 142 HA ARG 19 HA ARG 19 5.293 -0.902 -8.706 143 HB2 ARG 19 HB2 ARG 19 4.814 -3.176 -7.557 144 HB3 ARG 19 HB3 ARG 19 4.231 -2.240 -6.187 145 HG2 ARG 19 HG2 ARG 19 2.457 -1.243 -7.588 146 HG3 ARG 19 HG3 ARG 19 3.165 -1.984 -9.041 147 HD2 ARG 19 HD2 ARG 19 2.742 -4.241 -8.025 148 HD3 ARG 19 HD3 ARG 19 1.894 -3.436 -6.688 149 HE ARG 19 HE ARG 19 0.743 -2.502 -9.102 150 HH11 ARG 19 HH11 ARG 19 0.884 -5.551 -7.409 151 HH12 ARG 19 HH12 ARG 19 -0.575 -6.147 -8.158 152 HH21 ARG 19 HH21 ARG 19 -1.092 -3.308 -10.039 153 HH22 ARG 19 HH22 ARG 19 -1.660 -4.894 -9.609 154 H THR 20 H THR 20 3.665 0.580 -8.238 155 HA THR 20 HA THR 20 4.175 2.518 -5.992 156 HB THR 20 HB THR 20 3.146 3.042 -8.802 157 HG1 THR 20 HG1 THR 20 5.096 3.645 -9.237 158 HG21 THR 20 HG21 THR 20 3.394 5.437 -8.218 159 HG22 THR 20 HG22 THR 20 3.748 4.982 -6.532 160 HG23 THR 20 HG23 THR 20 2.147 4.669 -7.245 161 H TYR 21 H TYR 21 2.532 3.152 -4.701 162 HA TYR 21 HA TYR 21 -0.280 2.445 -5.352 163 HB2 TYR 21 HB2 TYR 21 0.665 2.429 -2.516 164 HB3 TYR 21 HB3 TYR 21 -0.599 1.499 -3.306 165 HD1 TYR 21 HD2 TYR 21 -0.039 -0.667 -4.441 166 HD2 TYR 21 HD1 TYR 21 2.963 1.729 -2.482 167 HE1 TYR 21 HE2 TYR 21 1.557 -2.593 -4.494 168 HE2 TYR 21 HE1 TYR 21 4.526 -0.168 -2.523 169 HH TYR 21 HH TYR 21 4.805 -2.416 -3.035 170 H ALA 22 H ALA 22 -1.761 3.640 -3.650 171 HA ALA 22 HA ALA 22 -1.727 6.365 -4.263 172 HB1 ALA 22 HB1 ALA 22 -3.734 5.074 -3.665 173 HB2 ALA 22 HB2 ALA 22 -3.177 4.952 -1.981 174 HB3 ALA 22 HB3 ALA 22 -3.593 6.534 -2.671 175 H ASN 23 H ASN 23 -0.889 4.977 -1.069 176 HA ASN 23 HA ASN 23 1.246 6.815 -0.623 177 HB2 ASN 23 HB2 ASN 23 0.421 8.093 1.263 178 HB3 ASN 23 HB3 ASN 23 -0.693 8.345 -0.055 179 HD21 ASN 23 HD21 ASN 23 -2.732 7.010 -0.009 180 HD22 ASN 23 HD22 ASN 23 -3.375 6.615 1.578 181 H SER 24 H SER 24 1.939 6.663 1.847 182 HA SER 24 HA SER 24 2.694 3.947 2.275 183 HB2 SER 24 HB2 SER 24 3.955 4.936 4.238 184 HB3 SER 24 HB3 SER 24 4.245 5.735 2.702 185 HG SER 24 HG SER 24 2.636 6.637 4.859 186 H CYS 25 H CYS 25 -0.096 4.276 2.612 187 HA CYS 25 HA CYS 25 -0.535 3.006 5.302 188 HB2 CYS 25 HB2 CYS 25 -1.568 5.191 5.297 189 HB3 CYS 25 HB3 CYS 25 -2.342 4.897 3.749 190 H ILE 26 H ILE 26 -1.517 3.162 1.810 191 HA ILE 26 HA ILE 26 -3.268 0.879 2.045 192 HB ILE 26 HB ILE 26 -3.361 2.823 0.350 193 HG12 ILE 26 HG12 ILE 26 -4.126 1.211 -1.536 194 HG13 ILE 26 HG13 ILE 26 -3.597 -0.104 -0.484 195 HG21 ILE 26 HG21 ILE 26 -1.439 1.158 -1.260 196 HG22 ILE 26 HG22 ILE 26 -2.307 2.621 -1.759 197 HG23 ILE 26 HG23 ILE 26 -1.070 2.732 -0.511 198 HD11 ILE 26 HD11 ILE 26 -5.729 1.979 0.221 199 HD12 ILE 26 HD12 ILE 26 -6.051 0.325 -0.339 200 HD13 ILE 26 HD13 ILE 26 -5.267 0.587 1.227 201 H ALA 27 H ALA 27 -0.038 1.471 0.919 202 HA ALA 27 HA ALA 27 0.666 -0.999 -0.120 203 HB1 ALA 27 HB1 ALA 27 2.036 1.069 -0.255 204 HB2 ALA 27 HB2 ALA 27 2.488 0.890 1.448 205 HB3 ALA 27 HB3 ALA 27 3.005 -0.326 0.261 206 H ARG 28 H ARG 28 1.177 0.084 3.206 207 HA ARG 28 HA ARG 28 2.133 -2.347 4.372 208 HB2 ARG 28 HB2 ARG 28 0.541 -0.090 5.691 209 HB3 ARG 28 HB3 ARG 28 1.445 -1.354 6.515 210 HG2 ARG 28 HG2 ARG 28 3.500 -0.444 5.090 211 HG3 ARG 28 HG3 ARG 28 2.475 0.987 4.882 212 HD2 ARG 28 HD2 ARG 28 3.928 1.365 6.769 213 HD3 ARG 28 HD3 ARG 28 2.278 1.148 7.381 214 HE ARG 28 HE ARG 28 3.767 -1.352 7.334 215 HH11 ARG 28 HH11 ARG 28 3.440 1.514 9.299 216 HH12 ARG 28 HH12 ARG 28 3.922 0.684 10.755 217 HH21 ARG 28 HH21 ARG 28 4.358 -2.362 9.208 218 HH22 ARG 28 HH22 ARG 28 4.433 -1.458 10.689 219 H CYS 29 H CYS 29 -1.162 -1.249 3.785 220 HA CYS 29 HA CYS 29 -2.379 -3.356 5.409 221 HB2 CYS 29 HB2 CYS 29 -3.213 -0.961 4.906 222 HB3 CYS 29 HB3 CYS 29 -3.810 -1.622 3.381 223 H ASN 30 H ASN 30 -1.598 -2.887 2.004 224 HA ASN 30 HA ASN 30 -2.737 -5.358 0.995 225 HB2 ASN 30 HB2 ASN 30 -1.222 -3.052 -0.018 226 HB3 ASN 30 HB3 ASN 30 -0.490 -4.529 -0.569 227 HD21 ASN 30 HD21 ASN 30 -3.588 -2.760 -0.430 228 HD22 ASN 30 HD22 ASN 30 -4.246 -3.542 -1.867 229 H GLY 31 H GLY 31 0.138 -4.647 2.807 230 HA2 GLY 31 HA2 GLY 31 1.255 -6.399 4.022 231 HA3 GLY 31 HA3 GLY 31 0.968 -7.520 2.701 232 H VAL 32 H VAL 32 2.114 -4.429 1.598 233 HA VAL 32 HA VAL 32 4.869 -5.498 1.229 234 HB VAL 32 HB VAL 32 4.560 -3.534 -0.657 235 HG11 VAL 32 HG11 VAL 32 5.614 -5.733 -0.969 236 HG12 VAL 32 HG12 VAL 32 4.010 -6.504 -1.002 237 HG13 VAL 32 HG13 VAL 32 4.490 -5.373 -2.288 238 HG21 VAL 32 HG21 VAL 32 2.545 -4.008 -1.976 239 HG22 VAL 32 HG22 VAL 32 1.919 -5.047 -0.700 240 HG23 VAL 32 HG23 VAL 32 2.139 -3.295 -0.418 241 H SER 33 H SER 33 6.612 -4.259 1.779 242 HA SER 33 HA SER 33 6.138 -1.827 3.381 243 HB2 SER 33 HB2 SER 33 8.615 -2.019 3.769 244 HB3 SER 33 HB3 SER 33 7.674 -3.419 4.309 245 HG SER 33 HG SER 33 9.544 -4.047 3.158 246 H ILE 34 H ILE 34 7.778 -0.015 2.950 247 HA ILE 34 HA ILE 34 7.980 0.555 0.021 248 HB ILE 34 HB ILE 34 7.600 2.825 0.388 249 HG12 ILE 34 HG12 ILE 34 6.761 3.470 2.874 250 HG13 ILE 34 HG13 ILE 34 7.973 2.276 3.320 251 HG21 ILE 34 HG21 ILE 34 5.301 2.845 1.161 252 HG22 ILE 34 HG22 ILE 34 5.615 1.386 0.204 253 HG23 ILE 34 HG23 ILE 34 5.505 1.295 1.978 254 HD11 ILE 34 HD11 ILE 34 9.681 3.604 2.027 255 HD12 ILE 34 HD12 ILE 34 8.407 4.756 1.576 256 HD13 ILE 34 HD13 ILE 34 8.886 4.576 3.275 257 H LYS 35 H LYS 35 9.722 1.534 -0.767 258 HA LYS 35 HA LYS 35 12.235 1.347 0.859 259 HB2 LYS 35 HB2 LYS 35 11.679 -0.100 -1.326 260 HB3 LYS 35 HB3 LYS 35 12.170 1.366 -2.161 261 HG2 LYS 35 HG2 LYS 35 14.099 -0.001 -2.030 262 HG3 LYS 35 HG3 LYS 35 14.360 1.252 -0.811 263 HD2 LYS 35 HD2 LYS 35 13.620 -0.348 0.969 264 HD3 LYS 35 HD3 LYS 35 13.303 -1.571 -0.272 265 HE2 LYS 35 HE2 LYS 35 15.706 -1.506 -0.935 266 HE3 LYS 35 HE3 LYS 35 16.015 -0.295 0.316 267 HZ1 LYS 35 HZ1 LYS 35 16.566 -2.528 1.094 268 HZ2 LYS 35 HZ2 LYS 35 15.048 -3.061 0.824 269 HZ3 LYS 35 HZ3 LYS 35 15.330 -1.942 1.984 270 H SER 36 H SER 36 10.298 3.512 -1.048 271 HA SER 36 HA SER 36 11.630 5.775 0.124 272 HB2 SER 36 HB2 SER 36 13.155 5.184 -1.880 273 HB3 SER 36 HB3 SER 36 11.830 5.758 -2.907 274 HG SER 36 HG SER 36 13.404 7.395 -2.343 275 H GLU 37 H GLU 37 10.784 7.845 -0.816 276 HA GLU 37 HA GLU 37 7.829 7.877 -1.002 277 HB2 GLU 37 HB2 GLU 37 9.935 10.084 -1.012 278 HB3 GLU 37 HB3 GLU 37 8.199 10.371 -1.054 279 HG2 GLU 37 HG2 GLU 37 9.665 8.970 1.230 280 HG3 GLU 37 HG3 GLU 37 9.246 10.675 1.190 281 H GLY 38 H GLY 38 6.667 8.835 -2.754 282 HA2 GLY 38 HA2 GLY 38 6.251 9.669 -4.853 283 HA3 GLY 38 HA3 GLY 38 7.974 9.664 -5.241 284 H SER 39 H SER 39 6.083 8.830 -7.091 285 HA SER 39 HA SER 39 5.732 6.000 -7.279 286 HB2 SER 39 HB2 SER 39 6.124 7.927 -9.591 287 HB3 SER 39 HB3 SER 39 5.245 6.393 -9.601 288 HG SER 39 HG SER 39 3.838 8.217 -9.449 289 H CYS 40 H CYS 40 7.041 4.391 -8.086 290 HA CYS 40 HA CYS 40 9.904 4.974 -8.281 291 HB2 CYS 40 HB2 CYS 40 8.324 2.701 -7.645 292 HB3 CYS 40 HB3 CYS 40 9.217 2.275 -9.094 293 HA PRO 41 HA PRO 41 10.037 5.339 -12.742 294 HB2 PRO 41 HB2 PRO 41 12.650 4.780 -13.303 295 HB3 PRO 41 HB3 PRO 41 12.150 6.248 -12.413 296 HG2 PRO 41 HG2 PRO 41 13.140 3.622 -11.253 297 HG3 PRO 41 HG3 PRO 41 13.702 5.281 -10.870 298 HD2 PRO 41 HD2 PRO 41 11.856 3.988 -9.336 299 HD3 PRO 41 HD3 PRO 41 11.757 5.749 -9.612 300 H THR 42 H THR 42 10.270 4.106 -14.713 301 HA THR 42 HA THR 42 9.399 1.415 -14.558 302 HB THR 42 HB THR 42 10.588 2.672 -17.049 303 HG1 THR 42 HG1 THR 42 8.577 3.667 -17.346 304 HG21 THR 42 HG21 THR 42 8.668 1.548 -18.163 305 HG22 THR 42 HG22 THR 42 8.147 0.888 -16.597 306 HG23 THR 42 HG23 THR 42 9.687 0.378 -17.324 307 H GLY 43 H GLY 43 12.534 2.632 -14.546 308 HA2 GLY 43 HA2 GLY 43 13.856 0.071 -14.237 309 HA3 GLY 43 HA3 GLY 43 14.179 0.755 -15.835 310 H ILE 44 H ILE 44 14.983 0.813 -12.533 311 HA ILE 44 HA ILE 44 16.210 3.358 -12.189 312 HB ILE 44 HB ILE 44 15.567 1.850 -10.354 313 HG12 ILE 44 HG12 ILE 44 17.560 2.116 -8.897 314 HG13 ILE 44 HG13 ILE 44 18.517 2.611 -10.289 315 HG21 ILE 44 HG21 ILE 44 16.336 -0.317 -11.328 316 HG22 ILE 44 HG22 ILE 44 18.018 0.184 -11.067 317 HG23 ILE 44 HG23 ILE 44 16.934 -0.055 -9.688 318 HD11 ILE 44 HD11 ILE 44 16.026 4.046 -9.249 319 HD12 ILE 44 HD12 ILE 44 17.703 4.522 -8.919 320 HD13 ILE 44 HD13 ILE 44 17.076 4.610 -10.571 Start of MODEL 15 1 H1 LYS 1 H1 LYS 1 -12.752 -2.673 -3.582 2 H2 LYS 1 H2 LYS 1 -14.374 -2.510 -3.454 3 H3 LYS 1 H3 LYS 1 -13.409 -1.840 -2.330 4 HA LYS 1 HA LYS 1 -14.415 -3.832 -1.423 5 HB2 LYS 1 HB2 LYS 1 -13.094 -5.211 -3.794 6 HB3 LYS 1 HB3 LYS 1 -13.873 -6.037 -2.441 7 HG2 LYS 1 HG2 LYS 1 -16.039 -5.093 -2.995 8 HG3 LYS 1 HG3 LYS 1 -15.351 -4.088 -4.272 9 HD2 LYS 1 HD2 LYS 1 -15.374 -7.135 -4.293 10 HD3 LYS 1 HD3 LYS 1 -16.519 -6.079 -5.134 11 HE2 LYS 1 HE2 LYS 1 -14.541 -5.024 -6.342 12 HE3 LYS 1 HE3 LYS 1 -13.518 -6.285 -5.640 13 HZ1 LYS 1 HZ1 LYS 1 -14.939 -7.939 -6.763 14 HZ2 LYS 1 HZ2 LYS 1 -14.268 -6.919 -7.845 15 HZ3 LYS 1 HZ3 LYS 1 -15.838 -6.750 -7.438 16 H LYS 2 H LYS 2 -12.990 -2.867 0.140 17 HA LYS 2 HA LYS 2 -10.705 -4.548 0.803 18 HB2 LYS 2 HB2 LYS 2 -9.054 -2.808 1.047 19 HB3 LYS 2 HB3 LYS 2 -9.569 -2.857 -0.617 20 HG2 LYS 2 HG2 LYS 2 -10.933 -0.868 1.216 21 HG3 LYS 2 HG3 LYS 2 -9.255 -0.577 0.773 22 HD2 LYS 2 HD2 LYS 2 -9.743 -0.422 -1.553 23 HD3 LYS 2 HD3 LYS 2 -11.341 -1.129 -1.349 24 HE2 LYS 2 HE2 LYS 2 -11.621 1.222 -1.723 25 HE3 LYS 2 HE3 LYS 2 -12.105 0.841 -0.070 26 HZ1 LYS 2 HZ1 LYS 2 -9.951 1.713 0.688 27 HZ2 LYS 2 HZ2 LYS 2 -10.740 2.847 -0.182 28 HZ3 LYS 2 HZ3 LYS 2 -9.495 2.037 -0.856 29 H VAL 3 H VAL 3 -9.782 -3.912 2.932 30 HA VAL 3 HA VAL 3 -11.754 -2.587 4.761 31 HB VAL 3 HB VAL 3 -9.792 -4.715 5.661 32 HG11 VAL 3 HG11 VAL 3 -12.429 -3.699 6.830 33 HG12 VAL 3 HG12 VAL 3 -11.466 -5.039 7.489 34 HG13 VAL 3 HG13 VAL 3 -10.808 -3.413 7.500 35 HG21 VAL 3 HG21 VAL 3 -11.701 -6.337 5.605 36 HG22 VAL 3 HG22 VAL 3 -12.660 -5.139 4.707 37 HG23 VAL 3 HG23 VAL 3 -11.187 -5.847 3.998 38 H CYS 4 H CYS 4 -9.052 -1.977 3.243 39 HA CYS 4 HA CYS 4 -7.306 -0.830 5.277 40 HB2 CYS 4 HB2 CYS 4 -7.276 -0.457 2.266 41 HB3 CYS 4 HB3 CYS 4 -5.977 -0.095 3.399 42 H ALA 5 H ALA 5 -8.450 0.716 6.394 43 HA ALA 5 HA ALA 5 -9.717 3.029 5.107 44 HB1 ALA 5 HB1 ALA 5 -10.593 2.139 7.212 45 HB2 ALA 5 HB2 ALA 5 -9.043 2.462 8.024 46 HB3 ALA 5 HB3 ALA 5 -10.031 3.809 7.419 47 H CYS 6 H CYS 6 -8.130 4.006 3.816 48 HA CYS 6 HA CYS 6 -5.957 5.440 5.232 49 HB2 CYS 6 HB2 CYS 6 -5.984 4.223 2.445 50 HB3 CYS 6 HB3 CYS 6 -4.761 5.327 3.028 51 HA PRO 7 HA PRO 7 -7.756 9.091 3.482 52 HB2 PRO 7 HB2 PRO 7 -5.614 10.789 3.365 53 HB3 PRO 7 HB3 PRO 7 -6.338 10.200 4.900 54 HG2 PRO 7 HG2 PRO 7 -3.901 9.139 3.471 55 HG3 PRO 7 HG3 PRO 7 -4.065 9.572 5.203 56 HD2 PRO 7 HD2 PRO 7 -4.335 7.013 4.321 57 HD3 PRO 7 HD3 PRO 7 -5.357 7.623 5.648 58 H LYS 8 H LYS 8 -7.760 10.564 1.682 59 HA LYS 8 HA LYS 8 -7.222 9.200 -0.858 60 HB2 LYS 8 HB2 LYS 8 -8.557 11.880 -0.309 61 HB3 LYS 8 HB3 LYS 8 -8.609 10.978 -1.823 62 HG2 LYS 8 HG2 LYS 8 -9.542 9.073 -0.027 63 HG3 LYS 8 HG3 LYS 8 -10.122 10.567 0.706 64 HD2 LYS 8 HD2 LYS 8 -11.866 9.759 -0.698 65 HD3 LYS 8 HD3 LYS 8 -11.169 11.145 -1.558 66 HE2 LYS 8 HE2 LYS 8 -9.832 9.602 -2.970 67 HE3 LYS 8 HE3 LYS 8 -10.417 8.217 -2.041 68 HZ1 LYS 8 HZ1 LYS 8 -11.660 8.484 -4.105 69 HZ2 LYS 8 HZ2 LYS 8 -12.130 9.993 -3.697 70 HZ3 LYS 8 HZ3 LYS 8 -12.664 8.707 -2.839 71 H ILE 9 H ILE 9 -5.394 11.223 0.849 72 HA ILE 9 HA ILE 9 -4.397 13.219 -0.740 73 HB ILE 9 HB ILE 9 -3.830 13.022 1.545 74 HG12 ILE 9 HG12 ILE 9 -1.274 13.053 -0.093 75 HG13 ILE 9 HG13 ILE 9 -2.418 14.392 0.043 76 HG21 ILE 9 HG21 ILE 9 -1.818 10.816 0.903 77 HG22 ILE 9 HG22 ILE 9 -2.244 11.456 2.504 78 HG23 ILE 9 HG23 ILE 9 -3.416 10.499 1.600 79 HD11 ILE 9 HD11 ILE 9 -0.747 13.212 2.300 80 HD12 ILE 9 HD12 ILE 9 -0.568 14.798 1.536 81 HD13 ILE 9 HD13 ILE 9 -2.007 14.454 2.517 82 H LEU 10 H LEU 10 -3.165 13.536 -2.294 83 HA LEU 10 HA LEU 10 -2.195 11.352 -4.058 84 HB2 LEU 10 HB2 LEU 10 -2.205 14.378 -4.405 85 HB3 LEU 10 HB3 LEU 10 -1.657 13.230 -5.623 86 HG LEU 10 HG LEU 10 -4.504 13.391 -4.535 87 HD11 LEU 10 HD11 LEU 10 -3.323 14.276 -7.201 88 HD12 LEU 10 HD12 LEU 10 -3.868 15.348 -5.894 89 HD13 LEU 10 HD13 LEU 10 -5.041 14.329 -6.744 90 HD21 LEU 10 HD21 LEU 10 -5.043 11.930 -6.487 91 HD22 LEU 10 HD22 LEU 10 -4.013 11.115 -5.309 92 HD23 LEU 10 HD23 LEU 10 -3.306 11.750 -6.815 93 H LYS 11 H LYS 11 -0.612 10.536 -2.547 94 HA LYS 11 HA LYS 11 2.029 11.843 -2.962 95 HB2 LYS 11 HB2 LYS 11 1.129 12.705 -0.800 96 HB3 LYS 11 HB3 LYS 11 1.018 11.057 -0.200 97 HG2 LYS 11 HG2 LYS 11 2.979 12.149 0.685 98 HG3 LYS 11 HG3 LYS 11 3.493 10.834 -0.367 99 HD2 LYS 11 HD2 LYS 11 4.091 12.433 -2.146 100 HD3 LYS 11 HD3 LYS 11 3.364 13.761 -1.227 101 HE2 LYS 11 HE2 LYS 11 5.751 13.891 -0.927 102 HE3 LYS 11 HE3 LYS 11 5.017 13.396 0.599 103 HZ1 LYS 11 HZ1 LYS 11 6.464 11.662 -1.321 104 HZ2 LYS 11 HZ2 LYS 11 5.589 11.059 -0.067 105 HZ3 LYS 11 HZ3 LYS 11 6.884 11.978 0.240 106 HA PRO 12 HA PRO 12 1.875 7.266 -3.601 107 HB2 PRO 12 HB2 PRO 12 3.146 7.144 -6.037 108 HB3 PRO 12 HB3 PRO 12 1.391 7.439 -5.846 109 HG2 PRO 12 HG2 PRO 12 3.589 9.469 -6.259 110 HG3 PRO 12 HG3 PRO 12 2.014 9.339 -7.106 111 HD2 PRO 12 HD2 PRO 12 2.381 11.054 -5.012 112 HD3 PRO 12 HD3 PRO 12 0.834 10.180 -5.227 113 H VAL 13 H VAL 13 3.610 5.740 -3.789 114 HA VAL 13 HA VAL 13 6.344 6.551 -3.047 115 HB VAL 13 HB VAL 13 6.279 5.204 -0.987 116 HG11 VAL 13 HG11 VAL 13 5.302 6.809 0.457 117 HG12 VAL 13 HG12 VAL 13 5.841 7.723 -0.957 118 HG13 VAL 13 HG13 VAL 13 4.128 7.335 -0.767 119 HG21 VAL 13 HG21 VAL 13 4.334 3.742 -1.460 120 HG22 VAL 13 HG22 VAL 13 4.155 4.605 0.073 121 HG23 VAL 13 HG23 VAL 13 3.248 5.139 -1.354 122 H CYS 14 H CYS 14 7.828 4.737 -3.033 123 HA CYS 14 HA CYS 14 6.889 2.564 -4.852 124 HB2 CYS 14 HB2 CYS 14 8.744 3.979 -5.640 125 HB3 CYS 14 HB3 CYS 14 9.735 3.427 -4.284 126 H GLY 15 H GLY 15 6.300 0.769 -3.943 127 HA2 GLY 15 HA2 GLY 15 7.102 -0.118 -1.274 128 HA3 GLY 15 HA3 GLY 15 6.155 -1.037 -2.437 129 H SER 16 H SER 16 8.096 -2.226 -0.869 130 HA SER 16 HA SER 16 10.656 -2.431 -2.052 131 HB2 SER 16 HB2 SER 16 9.837 -3.173 0.262 132 HB3 SER 16 HB3 SER 16 9.373 -4.696 -0.520 133 HG SER 16 HG SER 16 11.476 -4.841 0.299 134 H ASP 17 H ASP 17 7.739 -3.847 -3.177 135 HA ASP 17 HA ASP 17 8.918 -5.954 -4.840 136 HB2 ASP 17 HB2 ASP 17 6.574 -5.974 -3.983 137 HB3 ASP 17 HB3 ASP 17 6.208 -4.578 -4.999 138 H GLY 18 H GLY 18 8.461 -2.514 -5.164 139 HA2 GLY 18 HA2 GLY 18 9.724 -1.202 -6.721 140 HA3 GLY 18 HA3 GLY 18 9.586 -2.487 -7.930 141 H ARG 19 H ARG 19 6.662 -2.326 -6.574 142 HA ARG 19 HA ARG 19 5.441 -0.755 -8.736 143 HB2 ARG 19 HB2 ARG 19 4.762 -3.091 -7.651 144 HB3 ARG 19 HB3 ARG 19 4.040 -2.099 -6.408 145 HG2 ARG 19 HG2 ARG 19 2.326 -2.727 -7.966 146 HG3 ARG 19 HG3 ARG 19 2.605 -1.000 -8.206 147 HD2 ARG 19 HD2 ARG 19 4.029 -1.516 -10.186 148 HD3 ARG 19 HD3 ARG 19 3.803 -3.251 -9.888 149 HE ARG 19 HE ARG 19 1.250 -1.957 -10.160 150 HH11 ARG 19 HH11 ARG 19 3.921 -2.981 -12.175 151 HH12 ARG 19 HH12 ARG 19 2.913 -3.164 -13.583 152 HH21 ARG 19 HH21 ARG 19 0.016 -2.205 -11.986 153 HH22 ARG 19 HH22 ARG 19 0.757 -2.730 -13.468 154 H THR 20 H THR 20 3.861 0.799 -8.323 155 HA THR 20 HA THR 20 4.154 2.416 -5.815 156 HB THR 20 HB THR 20 5.067 3.542 -7.780 157 HG1 THR 20 HG1 THR 20 2.734 4.886 -6.969 158 HG21 THR 20 HG21 THR 20 3.537 2.813 -9.580 159 HG22 THR 20 HG22 THR 20 3.613 4.582 -9.445 160 HG23 THR 20 HG23 THR 20 2.205 3.714 -8.813 161 H TYR 21 H TYR 21 2.409 3.300 -4.806 162 HA TYR 21 HA TYR 21 -0.337 2.507 -5.606 163 HB2 TYR 21 HB2 TYR 21 0.589 2.435 -2.734 164 HB3 TYR 21 HB3 TYR 21 -0.777 1.643 -3.503 165 HD1 TYR 21 HD1 TYR 21 2.912 1.549 -3.042 166 HD2 TYR 21 HD2 TYR 21 -0.570 -0.597 -4.431 167 HE1 TYR 21 HE1 TYR 21 4.259 -0.527 -3.247 168 HE2 TYR 21 HE2 TYR 21 0.787 -2.679 -4.598 169 HH TYR 21 HH TYR 21 2.864 -3.622 -4.354 170 H ALA 22 H ALA 22 -1.906 3.703 -3.883 171 HA ALA 22 HA ALA 22 -1.837 6.425 -4.530 172 HB1 ALA 22 HB1 ALA 22 -3.703 6.646 -2.950 173 HB2 ALA 22 HB2 ALA 22 -3.866 5.167 -3.913 174 HB3 ALA 22 HB3 ALA 22 -3.310 5.076 -2.224 175 H ASN 23 H ASN 23 -0.966 5.012 -1.343 176 HA ASN 23 HA ASN 23 1.115 6.971 -0.939 177 HB2 ASN 23 HB2 ASN 23 0.259 8.037 1.029 178 HB3 ASN 23 HB3 ASN 23 -0.987 8.184 -0.190 179 HD21 ASN 23 HD21 ASN 23 -1.613 8.559 2.457 180 HD22 ASN 23 HD22 ASN 23 -2.595 7.200 2.988 181 H SER 24 H SER 24 1.872 6.719 1.543 182 HA SER 24 HA SER 24 2.858 4.021 1.842 183 HB2 SER 24 HB2 SER 24 4.040 5.085 3.827 184 HB3 SER 24 HB3 SER 24 4.301 5.913 2.288 185 HG SER 24 HG SER 24 3.768 7.365 4.018 186 H CYS 25 H CYS 25 -0.048 4.671 2.410 187 HA CYS 25 HA CYS 25 -0.343 3.193 5.017 188 HB2 CYS 25 HB2 CYS 25 -1.391 5.358 5.122 189 HB3 CYS 25 HB3 CYS 25 -2.261 5.079 3.621 190 H ILE 26 H ILE 26 -1.606 3.395 1.613 191 HA ILE 26 HA ILE 26 -3.289 1.091 1.927 192 HB ILE 26 HB ILE 26 -3.470 2.991 0.195 193 HG12 ILE 26 HG12 ILE 26 -4.233 1.318 -1.651 194 HG13 ILE 26 HG13 ILE 26 -3.665 0.043 -0.569 195 HG21 ILE 26 HG21 ILE 26 -1.524 1.391 -1.424 196 HG22 ILE 26 HG22 ILE 26 -2.476 2.799 -1.928 197 HG23 ILE 26 HG23 ILE 26 -1.232 2.997 -0.696 198 HD11 ILE 26 HD11 ILE 26 -6.111 0.414 -0.376 199 HD12 ILE 26 HD12 ILE 26 -5.308 0.791 1.158 200 HD13 ILE 26 HD13 ILE 26 -5.830 2.107 0.081 201 H ALA 27 H ALA 27 -0.111 1.658 0.664 202 HA ALA 27 HA ALA 27 0.452 -0.837 -0.415 203 HB1 ALA 27 HB1 ALA 27 2.826 -0.135 -0.267 204 HB2 ALA 27 HB2 ALA 27 1.784 1.231 -0.735 205 HB3 ALA 27 HB3 ALA 27 2.352 1.089 0.940 206 H ARG 28 H ARG 28 1.018 0.301 2.870 207 HA ARG 28 HA ARG 28 2.246 -2.061 3.993 208 HB2 ARG 28 HB2 ARG 28 0.707 0.184 5.372 209 HB3 ARG 28 HB3 ARG 28 1.695 -1.045 6.158 210 HG2 ARG 28 HG2 ARG 28 3.634 -0.187 4.600 211 HG3 ARG 28 HG3 ARG 28 2.580 1.198 4.303 212 HD2 ARG 28 HD2 ARG 28 4.085 1.809 6.062 213 HD3 ARG 28 HD3 ARG 28 2.495 1.570 6.810 214 HE ARG 28 HE ARG 28 4.014 -0.882 6.882 215 HH11 ARG 28 HH11 ARG 28 3.976 2.199 8.525 216 HH12 ARG 28 HH12 ARG 28 4.702 1.542 9.968 217 HH21 ARG 28 HH21 ARG 28 4.920 -1.667 8.730 218 HH22 ARG 28 HH22 ARG 28 5.223 -0.600 10.067 219 H CYS 29 H CYS 29 -1.122 -1.083 3.652 220 HA CYS 29 HA CYS 29 -2.185 -3.320 5.211 221 HB2 CYS 29 HB2 CYS 29 -3.307 -1.114 4.884 222 HB3 CYS 29 HB3 CYS 29 -3.533 -1.506 3.180 223 H ASN 30 H ASN 30 -1.352 -2.751 1.841 224 HA ASN 30 HA ASN 30 -2.479 -5.119 0.688 225 HB2 ASN 30 HB2 ASN 30 -0.987 -2.783 -0.161 226 HB3 ASN 30 HB3 ASN 30 -0.149 -4.185 -0.758 227 HD21 ASN 30 HD21 ASN 30 -3.336 -2.592 -0.623 228 HD22 ASN 30 HD22 ASN 30 -3.904 -3.291 -2.138 229 H GLY 31 H GLY 31 0.160 -4.933 2.830 230 HA2 GLY 31 HA2 GLY 31 1.216 -6.873 3.700 231 HA3 GLY 31 HA3 GLY 31 0.939 -7.733 2.196 232 H VAL 32 H VAL 32 2.309 -4.565 1.830 233 HA VAL 32 HA VAL 32 5.070 -5.669 1.470 234 HB VAL 32 HB VAL 32 4.628 -3.374 -0.226 235 HG11 VAL 32 HG11 VAL 32 5.502 -4.875 -1.942 236 HG12 VAL 32 HG12 VAL 32 6.435 -5.053 -0.447 237 HG13 VAL 32 HG13 VAL 32 5.227 -6.281 -0.892 238 HG21 VAL 32 HG21 VAL 32 2.742 -5.683 -0.847 239 HG22 VAL 32 HG22 VAL 32 2.282 -4.004 -0.458 240 HG23 VAL 32 HG23 VAL 32 3.169 -4.357 -1.937 241 H SER 33 H SER 33 6.831 -4.084 1.651 242 HA SER 33 HA SER 33 6.233 -1.960 3.656 243 HB2 SER 33 HB2 SER 33 8.714 -2.036 4.032 244 HB3 SER 33 HB3 SER 33 7.834 -3.507 4.463 245 HG SER 33 HG SER 33 9.724 -4.000 3.289 246 H ILE 34 H ILE 34 7.363 0.034 3.482 247 HA ILE 34 HA ILE 34 7.525 1.059 0.687 248 HB ILE 34 HB ILE 34 7.364 2.516 3.334 249 HG12 ILE 34 HG12 ILE 34 5.223 1.502 2.877 250 HG13 ILE 34 HG13 ILE 34 5.104 3.210 2.509 251 HG21 ILE 34 HG21 ILE 34 7.446 3.637 0.504 252 HG22 ILE 34 HG22 ILE 34 6.864 4.547 1.910 253 HG23 ILE 34 HG23 ILE 34 8.541 3.989 1.853 254 HD11 ILE 34 HD11 ILE 34 5.079 0.855 0.628 255 HD12 ILE 34 HD12 ILE 34 4.053 2.309 0.668 256 HD13 ILE 34 HD13 ILE 34 5.676 2.405 0.011 257 H LYS 35 H LYS 35 9.375 0.944 -0.222 258 HA LYS 35 HA LYS 35 11.951 0.933 1.202 259 HB2 LYS 35 HB2 LYS 35 10.953 0.420 -1.587 260 HB3 LYS 35 HB3 LYS 35 12.555 1.109 -1.475 261 HG2 LYS 35 HG2 LYS 35 11.659 -1.429 -0.057 262 HG3 LYS 35 HG3 LYS 35 12.574 -1.342 -1.570 263 HD2 LYS 35 HD2 LYS 35 14.100 0.220 0.187 264 HD3 LYS 35 HD3 LYS 35 13.514 -1.081 1.224 265 HE2 LYS 35 HE2 LYS 35 14.957 -1.420 -1.448 266 HE3 LYS 35 HE3 LYS 35 15.731 -1.527 0.134 267 HZ1 LYS 35 HZ1 LYS 35 14.372 -3.455 0.641 268 HZ2 LYS 35 HZ2 LYS 35 15.147 -3.720 -0.769 269 HZ3 LYS 35 HZ3 LYS 35 13.552 -3.349 -0.769 270 H SER 36 H SER 36 10.227 3.150 -1.008 271 HA SER 36 HA SER 36 11.618 5.426 0.213 272 HB2 SER 36 HB2 SER 36 13.147 4.538 -1.641 273 HB3 SER 36 HB3 SER 36 11.906 5.069 -2.792 274 HG SER 36 HG SER 36 13.562 6.658 -2.365 275 H GLU 37 H GLU 37 10.920 7.483 -0.746 276 HA GLU 37 HA GLU 37 7.971 7.533 -1.067 277 HB2 GLU 37 HB2 GLU 37 10.036 9.703 -0.517 278 HB3 GLU 37 HB3 GLU 37 8.326 10.029 -0.820 279 HG2 GLU 37 HG2 GLU 37 7.698 8.616 1.122 280 HG3 GLU 37 HG3 GLU 37 9.407 8.318 1.458 281 H GLY 38 H GLY 38 6.884 8.717 -2.740 282 HA2 GLY 38 HA2 GLY 38 6.658 9.818 -4.781 283 HA3 GLY 38 HA3 GLY 38 8.379 9.615 -5.127 284 H SER 39 H SER 39 6.070 8.940 -6.844 285 HA SER 39 HA SER 39 5.757 6.091 -6.991 286 HB2 SER 39 HB2 SER 39 5.189 6.640 -9.456 287 HB3 SER 39 HB3 SER 39 4.145 7.220 -8.166 288 HG SER 39 HG SER 39 6.161 8.734 -9.522 289 H CYS 40 H CYS 40 6.868 4.544 -7.989 290 HA CYS 40 HA CYS 40 9.678 4.974 -8.461 291 HB2 CYS 40 HB2 CYS 40 7.900 2.735 -8.065 292 HB3 CYS 40 HB3 CYS 40 8.816 2.448 -9.522 293 HA PRO 41 HA PRO 41 9.612 5.943 -12.792 294 HB2 PRO 41 HB2 PRO 41 12.065 5.075 -13.661 295 HB3 PRO 41 HB3 PRO 41 11.848 6.465 -12.557 296 HG2 PRO 41 HG2 PRO 41 12.502 3.591 -11.824 297 HG3 PRO 41 HG3 PRO 41 13.321 5.088 -11.270 298 HD2 PRO 41 HD2 PRO 41 11.405 3.859 -9.766 299 HD3 PRO 41 HD3 PRO 41 11.529 5.637 -9.820 300 H THR 42 H THR 42 9.547 5.081 -14.923 301 HA THR 42 HA THR 42 8.970 2.151 -15.159 302 HB THR 42 HB THR 42 7.298 4.212 -16.592 303 HG1 THR 42 HG1 THR 42 5.839 4.110 -14.876 304 HG21 THR 42 HG21 THR 42 6.680 1.430 -15.470 305 HG22 THR 42 HG22 THR 42 7.017 1.781 -17.176 306 HG23 THR 42 HG23 THR 42 5.570 2.446 -16.413 307 H GLY 43 H GLY 43 11.399 3.435 -15.906 308 HA2 GLY 43 HA2 GLY 43 12.921 3.015 -17.666 309 HA3 GLY 43 HA3 GLY 43 11.586 2.654 -18.754 310 H ILE 44 H ILE 44 12.264 5.545 -16.802 311 HA ILE 44 HA ILE 44 11.629 7.499 -18.757 312 HB ILE 44 HB ILE 44 11.593 7.893 -16.338 313 HG12 ILE 44 HG12 ILE 44 12.659 10.135 -16.259 314 HG13 ILE 44 HG13 ILE 44 13.440 9.823 -17.806 315 HG21 ILE 44 HG21 ILE 44 14.638 7.965 -16.437 316 HG22 ILE 44 HG22 ILE 44 13.612 8.310 -15.037 317 HG23 ILE 44 HG23 ILE 44 13.676 6.673 -15.695 318 HD11 ILE 44 HD11 ILE 44 11.376 11.200 -18.003 319 HD12 ILE 44 HD12 ILE 44 11.216 9.684 -18.901 320 HD13 ILE 44 HD13 ILE 44 10.421 9.871 -17.319 Start of MODEL 16 1 H1 LYS 1 H1 LYS 1 -11.414 -10.180 -0.354 2 H2 LYS 1 H2 LYS 1 -10.580 -9.188 0.623 3 H3 LYS 1 H3 LYS 1 -11.859 -10.030 1.210 4 HA LYS 1 HA LYS 1 -11.952 -7.855 -0.786 5 HB2 LYS 1 HB2 LYS 1 -14.376 -8.129 -0.869 6 HB3 LYS 1 HB3 LYS 1 -13.535 -9.548 -1.459 7 HG2 LYS 1 HG2 LYS 1 -14.074 -10.842 0.491 8 HG3 LYS 1 HG3 LYS 1 -14.582 -9.416 1.403 9 HD2 LYS 1 HD2 LYS 1 -16.475 -9.078 -0.175 10 HD3 LYS 1 HD3 LYS 1 -16.008 -10.569 -1.027 11 HE2 LYS 1 HE2 LYS 1 -16.329 -11.871 1.048 12 HE3 LYS 1 HE3 LYS 1 -16.694 -10.392 1.946 13 HZ1 LYS 1 HZ1 LYS 1 -18.329 -11.458 -0.293 14 HZ2 LYS 1 HZ2 LYS 1 -18.660 -10.094 0.545 15 HZ3 LYS 1 HZ3 LYS 1 -18.724 -11.543 1.288 16 H LYS 2 H LYS 2 -10.683 -7.232 1.580 17 HA LYS 2 HA LYS 2 -12.673 -5.529 3.038 18 HB2 LYS 2 HB2 LYS 2 -10.503 -7.299 4.208 19 HB3 LYS 2 HB3 LYS 2 -11.141 -5.883 5.053 20 HG2 LYS 2 HG2 LYS 2 -13.419 -6.782 4.960 21 HG3 LYS 2 HG3 LYS 2 -12.844 -8.219 4.092 22 HD2 LYS 2 HD2 LYS 2 -11.524 -8.932 6.010 23 HD3 LYS 2 HD3 LYS 2 -11.801 -7.396 6.833 24 HE2 LYS 2 HE2 LYS 2 -13.195 -9.058 7.860 25 HE3 LYS 2 HE3 LYS 2 -14.210 -7.880 7.028 26 HZ1 LYS 2 HZ1 LYS 2 -14.485 -9.485 5.218 27 HZ2 LYS 2 HZ2 LYS 2 -14.934 -10.171 6.625 28 HZ3 LYS 2 HZ3 LYS 2 -13.500 -10.566 5.959 29 H VAL 3 H VAL 3 -12.272 -3.657 2.011 30 HA VAL 3 HA VAL 3 -9.730 -2.532 1.388 31 HB VAL 3 HB VAL 3 -11.065 -0.422 1.341 32 HG11 VAL 3 HG11 VAL 3 -12.261 -2.731 -0.232 33 HG12 VAL 3 HG12 VAL 3 -12.353 -1.007 -0.648 34 HG13 VAL 3 HG13 VAL 3 -10.786 -1.831 -0.654 35 HG21 VAL 3 HG21 VAL 3 -13.478 -0.433 1.487 36 HG22 VAL 3 HG22 VAL 3 -13.505 -2.151 1.907 37 HG23 VAL 3 HG23 VAL 3 -12.809 -0.964 3.034 38 H CYS 4 H CYS 4 -8.635 -0.817 2.423 39 HA CYS 4 HA CYS 4 -8.764 -0.961 5.397 40 HB2 CYS 4 HB2 CYS 4 -6.478 0.018 3.663 41 HB3 CYS 4 HB3 CYS 4 -6.456 -0.380 5.382 42 H ALA 5 H ALA 5 -8.793 0.873 6.671 43 HA ALA 5 HA ALA 5 -9.986 3.273 5.538 44 HB1 ALA 5 HB1 ALA 5 -10.745 2.332 7.659 45 HB2 ALA 5 HB2 ALA 5 -9.134 2.587 8.376 46 HB3 ALA 5 HB3 ALA 5 -10.123 3.979 7.877 47 H CYS 6 H CYS 6 -8.177 3.703 4.103 48 HA CYS 6 HA CYS 6 -5.963 5.267 5.317 49 HB2 CYS 6 HB2 CYS 6 -6.221 3.978 2.575 50 HB3 CYS 6 HB3 CYS 6 -4.896 5.002 3.078 51 HA PRO 7 HA PRO 7 -7.716 8.901 3.505 52 HB2 PRO 7 HB2 PRO 7 -5.620 10.598 3.515 53 HB3 PRO 7 HB3 PRO 7 -6.265 9.867 5.024 54 HG2 PRO 7 HG2 PRO 7 -3.891 8.920 3.403 55 HG3 PRO 7 HG3 PRO 7 -3.946 9.291 5.161 56 HD2 PRO 7 HD2 PRO 7 -4.297 6.761 4.201 57 HD3 PRO 7 HD3 PRO 7 -5.220 7.333 5.616 58 H LYS 8 H LYS 8 -7.678 10.375 1.722 59 HA LYS 8 HA LYS 8 -7.047 9.077 -0.830 60 HB2 LYS 8 HB2 LYS 8 -8.501 11.637 -0.045 61 HB3 LYS 8 HB3 LYS 8 -8.345 11.133 -1.719 62 HG2 LYS 8 HG2 LYS 8 -9.730 9.466 0.419 63 HG3 LYS 8 HG3 LYS 8 -10.525 10.578 -0.701 64 HD2 LYS 8 HD2 LYS 8 -9.555 9.231 -2.632 65 HD3 LYS 8 HD3 LYS 8 -8.949 8.075 -1.444 66 HE2 LYS 8 HE2 LYS 8 -10.970 7.171 -2.291 67 HE3 LYS 8 HE3 LYS 8 -11.301 7.711 -0.645 68 HZ1 LYS 8 HZ1 LYS 8 -13.054 8.371 -2.219 69 HZ2 LYS 8 HZ2 LYS 8 -11.997 9.229 -3.115 70 HZ3 LYS 8 HZ3 LYS 8 -12.356 9.704 -1.591 71 H ILE 9 H ILE 9 -5.251 11.180 0.960 72 HA ILE 9 HA ILE 9 -4.449 13.171 -0.729 73 HB ILE 9 HB ILE 9 -2.403 13.243 0.674 74 HG12 ILE 9 HG12 ILE 9 -3.585 11.115 2.455 75 HG13 ILE 9 HG13 ILE 9 -2.426 10.683 1.207 76 HG21 ILE 9 HG21 ILE 9 -3.602 14.009 2.673 77 HG22 ILE 9 HG22 ILE 9 -4.464 14.475 1.207 78 HG23 ILE 9 HG23 ILE 9 -5.044 13.105 2.177 79 HD11 ILE 9 HD11 ILE 9 -1.889 12.662 3.456 80 HD12 ILE 9 HD12 ILE 9 -1.292 10.997 3.339 81 HD13 ILE 9 HD13 ILE 9 -0.750 12.210 2.166 82 H LEU 10 H LEU 10 -3.093 13.496 -2.271 83 HA LEU 10 HA LEU 10 -2.098 11.269 -3.865 84 HB2 LEU 10 HB2 LEU 10 -1.805 14.268 -4.285 85 HB3 LEU 10 HB3 LEU 10 -1.470 13.015 -5.478 86 HG LEU 10 HG LEU 10 -4.206 13.680 -4.297 87 HD11 LEU 10 HD11 LEU 10 -3.061 14.100 -7.087 88 HD12 LEU 10 HD12 LEU 10 -3.326 15.368 -5.868 89 HD13 LEU 10 HD13 LEU 10 -4.710 14.498 -6.549 90 HD21 LEU 10 HD21 LEU 10 -4.142 11.296 -4.852 91 HD22 LEU 10 HD22 LEU 10 -3.433 11.656 -6.446 92 HD23 LEU 10 HD23 LEU 10 -5.093 12.163 -6.058 93 H LYS 11 H LYS 11 -0.668 10.405 -2.278 94 HA LYS 11 HA LYS 11 2.105 11.551 -2.357 95 HB2 LYS 11 HB2 LYS 11 0.410 10.853 0.027 96 HB3 LYS 11 HB3 LYS 11 2.112 10.472 0.140 97 HG2 LYS 11 HG2 LYS 11 1.070 13.221 -0.577 98 HG3 LYS 11 HG3 LYS 11 1.457 12.719 1.061 99 HD2 LYS 11 HD2 LYS 11 3.559 12.639 -1.159 100 HD3 LYS 11 HD3 LYS 11 3.181 14.085 -0.251 101 HE2 LYS 11 HE2 LYS 11 5.042 13.255 0.822 102 HE3 LYS 11 HE3 LYS 11 3.707 12.846 1.894 103 HZ1 LYS 11 HZ1 LYS 11 5.413 11.069 1.512 104 HZ2 LYS 11 HZ2 LYS 11 4.931 10.935 -0.031 105 HZ3 LYS 11 HZ3 LYS 11 3.880 10.561 1.176 106 HA PRO 12 HA PRO 12 1.990 7.112 -3.703 107 HB2 PRO 12 HB2 PRO 12 3.581 7.376 -5.953 108 HB3 PRO 12 HB3 PRO 12 1.802 7.576 -5.949 109 HG2 PRO 12 HG2 PRO 12 3.920 9.736 -5.759 110 HG3 PRO 12 HG3 PRO 12 2.478 9.687 -6.824 111 HD2 PRO 12 HD2 PRO 12 2.465 11.077 -4.499 112 HD3 PRO 12 HD3 PRO 12 1.019 10.158 -5.016 113 H VAL 13 H VAL 13 3.718 5.637 -3.726 114 HA VAL 13 HA VAL 13 6.379 6.429 -2.668 115 HB VAL 13 HB VAL 13 6.169 4.746 -0.857 116 HG11 VAL 13 HG11 VAL 13 4.924 6.077 0.710 117 HG12 VAL 13 HG12 VAL 13 5.769 7.168 -0.398 118 HG13 VAL 13 HG13 VAL 13 4.027 6.883 -0.590 119 HG21 VAL 13 HG21 VAL 13 3.219 4.653 -1.649 120 HG22 VAL 13 HG22 VAL 13 4.394 3.311 -1.644 121 HG23 VAL 13 HG23 VAL 13 3.863 4.044 -0.133 122 H CYS 14 H CYS 14 7.956 4.731 -2.796 123 HA CYS 14 HA CYS 14 7.371 2.733 -4.930 124 HB2 CYS 14 HB2 CYS 14 9.399 4.091 -5.190 125 HB3 CYS 14 HB3 CYS 14 9.997 3.512 -3.628 126 H GLY 15 H GLY 15 6.520 0.889 -4.236 127 HA2 GLY 15 HA2 GLY 15 6.854 -0.317 -1.621 128 HA3 GLY 15 HA3 GLY 15 6.246 -1.087 -3.088 129 H SER 16 H SER 16 7.927 -2.236 -1.136 130 HA SER 16 HA SER 16 10.619 -2.502 -1.931 131 HB2 SER 16 HB2 SER 16 10.503 -4.731 -0.675 132 HB3 SER 16 HB3 SER 16 10.209 -3.224 0.197 133 HG SER 16 HG SER 16 8.046 -3.600 0.188 134 H ASP 17 H ASP 17 7.839 -3.994 -3.398 135 HA ASP 17 HA ASP 17 9.461 -5.820 -5.097 136 HB2 ASP 17 HB2 ASP 17 6.505 -5.124 -4.981 137 HB3 ASP 17 HB3 ASP 17 7.189 -6.120 -6.260 138 H GLY 18 H GLY 18 8.743 -2.503 -5.175 139 HA2 GLY 18 HA2 GLY 18 9.626 -0.980 -6.761 140 HA3 GLY 18 HA3 GLY 18 9.561 -2.212 -8.025 141 H ARG 19 H ARG 19 6.730 -2.478 -6.457 142 HA ARG 19 HA ARG 19 5.096 -1.211 -8.465 143 HB2 ARG 19 HB2 ARG 19 4.684 -3.295 -6.878 144 HB3 ARG 19 HB3 ARG 19 4.190 -2.090 -5.707 145 HG2 ARG 19 HG2 ARG 19 2.185 -2.870 -6.734 146 HG3 ARG 19 HG3 ARG 19 2.460 -1.280 -7.429 147 HD2 ARG 19 HD2 ARG 19 3.735 -2.662 -9.321 148 HD3 ARG 19 HD3 ARG 19 2.817 -4.018 -8.693 149 HE ARG 19 HE ARG 19 1.866 -1.773 -10.294 150 HH11 ARG 19 HH11 ARG 19 0.667 -4.205 -8.080 151 HH12 ARG 19 HH12 ARG 19 -0.953 -4.096 -8.713 152 HH21 ARG 19 HH21 ARG 19 -0.187 -1.683 -11.046 153 HH22 ARG 19 HH22 ARG 19 -1.414 -2.701 -10.355 154 H THR 20 H THR 20 3.552 0.376 -8.122 155 HA THR 20 HA THR 20 4.122 2.517 -6.085 156 HB THR 20 HB THR 20 3.305 2.867 -8.991 157 HG1 THR 20 HG1 THR 20 5.464 2.473 -8.780 158 HG21 THR 20 HG21 THR 20 3.793 4.965 -6.831 159 HG22 THR 20 HG22 THR 20 2.235 4.618 -7.621 160 HG23 THR 20 HG23 THR 20 3.559 5.281 -8.567 161 H TYR 21 H TYR 21 2.447 3.211 -4.913 162 HA TYR 21 HA TYR 21 -0.346 2.448 -5.611 163 HB2 TYR 21 HB2 TYR 21 0.463 2.671 -2.750 164 HB3 TYR 21 HB3 TYR 21 -0.722 1.635 -3.529 165 HD1 TYR 21 HD1 TYR 21 2.883 2.134 -2.839 166 HD2 TYR 21 HD2 TYR 21 -0.140 -0.667 -4.103 167 HE1 TYR 21 HE1 TYR 21 4.494 0.279 -2.562 168 HE2 TYR 21 HE2 TYR 21 1.494 -2.534 -3.850 169 HH TYR 21 HH TYR 21 3.662 -3.108 -3.367 170 H ALA 22 H ALA 22 -1.897 3.752 -3.948 171 HA ALA 22 HA ALA 22 -1.680 6.504 -4.784 172 HB1 ALA 22 HB1 ALA 22 -3.787 6.751 -3.523 173 HB2 ALA 22 HB2 ALA 22 -3.820 5.310 -4.553 174 HB3 ALA 22 HB3 ALA 22 -3.564 5.146 -2.802 175 H ASN 23 H ASN 23 -1.047 4.911 -1.655 176 HA ASN 23 HA ASN 23 0.383 7.269 -0.677 177 HB2 ASN 23 HB2 ASN 23 -2.021 7.634 -0.085 178 HB3 ASN 23 HB3 ASN 23 -1.986 6.129 0.845 179 HD21 ASN 23 HD21 ASN 23 -2.399 7.094 2.881 180 HD22 ASN 23 HD22 ASN 23 -1.189 8.151 3.611 181 H SER 24 H SER 24 1.074 6.712 1.720 182 HA SER 24 HA SER 24 2.682 4.278 1.729 183 HB2 SER 24 HB2 SER 24 3.205 4.966 4.072 184 HB3 SER 24 HB3 SER 24 3.485 6.248 2.879 185 HG SER 24 HG SER 24 2.351 7.045 4.707 186 H CYS 25 H CYS 25 -0.290 5.251 3.401 187 HA CYS 25 HA CYS 25 -0.572 3.027 5.119 188 HB2 CYS 25 HB2 CYS 25 -1.761 5.097 5.418 189 HB3 CYS 25 HB3 CYS 25 -2.606 4.917 3.885 190 H ILE 26 H ILE 26 -1.672 3.390 1.738 191 HA ILE 26 HA ILE 26 -3.313 1.004 1.788 192 HB ILE 26 HB ILE 26 -3.481 3.079 0.185 193 HG12 ILE 26 HG12 ILE 26 -4.191 1.422 -1.723 194 HG13 ILE 26 HG13 ILE 26 -3.734 0.159 -0.573 195 HG21 ILE 26 HG21 ILE 26 -2.491 2.971 -1.927 196 HG22 ILE 26 HG22 ILE 26 -1.252 3.086 -0.679 197 HG23 ILE 26 HG23 ILE 26 -1.557 1.521 -1.486 198 HD11 ILE 26 HD11 ILE 26 -6.171 0.635 -0.497 199 HD12 ILE 26 HD12 ILE 26 -5.423 1.066 1.053 200 HD13 ILE 26 HD13 ILE 26 -5.843 2.336 -0.119 201 H ALA 27 H ALA 27 -0.118 1.863 0.677 202 HA ALA 27 HA ALA 27 0.746 -0.552 -0.383 203 HB1 ALA 27 HB1 ALA 27 2.499 1.421 1.152 204 HB2 ALA 27 HB2 ALA 27 3.012 0.288 -0.102 205 HB3 ALA 27 HB3 ALA 27 1.944 1.651 -0.511 206 H ARG 28 H ARG 28 1.233 0.598 2.953 207 HA ARG 28 HA ARG 28 2.336 -1.766 4.105 208 HB2 ARG 28 HB2 ARG 28 0.552 0.319 5.442 209 HB3 ARG 28 HB3 ARG 28 1.537 -0.880 6.267 210 HG2 ARG 28 HG2 ARG 28 3.339 0.480 4.519 211 HG3 ARG 28 HG3 ARG 28 2.282 1.729 5.195 212 HD2 ARG 28 HD2 ARG 28 2.796 0.869 7.489 213 HD3 ARG 28 HD3 ARG 28 3.943 -0.273 6.754 214 HE ARG 28 HE ARG 28 4.440 2.469 5.926 215 HH11 ARG 28 HH11 ARG 28 5.076 0.317 8.605 216 HH12 ARG 28 HH12 ARG 28 6.456 1.238 9.138 217 HH21 ARG 28 HH21 ARG 28 6.187 3.613 6.658 218 HH22 ARG 28 HH22 ARG 28 7.058 3.058 8.054 219 H CYS 29 H CYS 29 -1.098 -0.929 3.599 220 HA CYS 29 HA CYS 29 -2.030 -3.201 5.174 221 HB2 CYS 29 HB2 CYS 29 -3.208 -0.924 4.670 222 HB3 CYS 29 HB3 CYS 29 -3.719 -1.706 3.171 223 H ASN 30 H ASN 30 -1.263 -2.666 1.797 224 HA ASN 30 HA ASN 30 -2.397 -5.065 0.694 225 HB2 ASN 30 HB2 ASN 30 -0.931 -2.745 -0.222 226 HB3 ASN 30 HB3 ASN 30 -0.048 -4.145 -0.739 227 HD21 ASN 30 HD21 ASN 30 -3.265 -2.613 -0.773 228 HD22 ASN 30 HD22 ASN 30 -3.778 -3.403 -2.262 229 H GLY 31 H GLY 31 0.171 -4.803 2.888 230 HA2 GLY 31 HA2 GLY 31 1.258 -6.659 3.851 231 HA3 GLY 31 HA3 GLY 31 0.973 -7.615 2.405 232 H VAL 32 H VAL 32 2.332 -4.459 1.861 233 HA VAL 32 HA VAL 32 5.060 -5.592 1.449 234 HB VAL 32 HB VAL 32 4.633 -3.478 -0.405 235 HG11 VAL 32 HG11 VAL 32 5.140 -5.192 -2.058 236 HG12 VAL 32 HG12 VAL 32 6.165 -5.409 -0.636 237 HG13 VAL 32 HG13 VAL 32 4.769 -6.476 -0.888 238 HG21 VAL 32 HG21 VAL 32 2.882 -4.369 -1.894 239 HG22 VAL 32 HG22 VAL 32 2.407 -5.540 -0.666 240 HG23 VAL 32 HG23 VAL 32 2.221 -3.790 -0.365 241 H SER 33 H SER 33 6.817 -4.269 1.857 242 HA SER 33 HA SER 33 6.305 -1.928 3.600 243 HB2 SER 33 HB2 SER 33 8.951 -3.085 2.663 244 HB3 SER 33 HB3 SER 33 8.691 -1.957 4.006 245 HG SER 33 HG SER 33 8.942 -4.233 4.608 246 H ILE 34 H ILE 34 7.173 0.156 3.103 247 HA ILE 34 HA ILE 34 7.664 0.741 0.207 248 HB ILE 34 HB ILE 34 7.386 3.001 0.593 249 HG12 ILE 34 HG12 ILE 34 6.633 3.711 3.085 250 HG13 ILE 34 HG13 ILE 34 7.784 2.455 3.521 251 HG21 ILE 34 HG21 ILE 34 5.320 1.709 0.443 252 HG22 ILE 34 HG22 ILE 34 5.241 1.582 2.216 253 HG23 ILE 34 HG23 ILE 34 5.112 3.161 1.442 254 HD11 ILE 34 HD11 ILE 34 9.548 3.672 2.213 255 HD12 ILE 34 HD12 ILE 34 8.335 4.866 1.706 256 HD13 ILE 34 HD13 ILE 34 8.797 4.732 3.415 257 H LYS 35 H LYS 35 9.521 1.644 -0.504 258 HA LYS 35 HA LYS 35 11.934 1.371 1.263 259 HB2 LYS 35 HB2 LYS 35 11.271 -0.132 -0.971 260 HB3 LYS 35 HB3 LYS 35 12.322 1.100 -1.671 261 HG2 LYS 35 HG2 LYS 35 14.108 0.512 -0.069 262 HG3 LYS 35 HG3 LYS 35 13.004 -0.588 0.782 263 HD2 LYS 35 HD2 LYS 35 12.804 -1.976 -1.287 264 HD3 LYS 35 HD3 LYS 35 13.916 -0.888 -2.113 265 HE2 LYS 35 HE2 LYS 35 15.146 -2.831 -1.432 266 HE3 LYS 35 HE3 LYS 35 15.702 -1.458 -0.474 267 HZ1 LYS 35 HZ1 LYS 35 15.352 -3.456 0.883 268 HZ2 LYS 35 HZ2 LYS 35 13.777 -3.522 0.476 269 HZ3 LYS 35 HZ3 LYS 35 14.345 -2.278 1.377 270 H SER 36 H SER 36 10.239 3.466 -0.874 271 HA SER 36 HA SER 36 11.682 5.725 0.189 272 HB2 SER 36 HB2 SER 36 12.467 6.719 -1.921 273 HB3 SER 36 HB3 SER 36 13.288 5.197 -1.571 274 HG SER 36 HG SER 36 12.625 5.352 -3.761 275 H GLU 37 H GLU 37 10.855 7.830 -0.712 276 HA GLU 37 HA GLU 37 7.919 7.770 -1.029 277 HB2 GLU 37 HB2 GLU 37 9.878 10.097 -0.800 278 HB3 GLU 37 HB3 GLU 37 8.118 10.228 -0.864 279 HG2 GLU 37 HG2 GLU 37 8.027 8.743 1.213 280 HG3 GLU 37 HG3 GLU 37 9.778 8.967 1.348 281 H GLY 38 H GLY 38 6.782 8.789 -2.757 282 HA2 GLY 38 HA2 GLY 38 6.429 9.683 -4.855 283 HA3 GLY 38 HA3 GLY 38 8.159 9.645 -5.211 284 H SER 39 H SER 39 6.381 8.831 -7.108 285 HA SER 39 HA SER 39 5.887 5.994 -7.285 286 HB2 SER 39 HB2 SER 39 4.844 7.680 -8.760 287 HB3 SER 39 HB3 SER 39 6.438 8.038 -9.467 288 HG SER 39 HG SER 39 5.204 6.579 -10.744 289 H CYS 40 H CYS 40 7.022 4.426 -8.438 290 HA CYS 40 HA CYS 40 9.990 4.756 -8.303 291 HB2 CYS 40 HB2 CYS 40 8.358 2.753 -7.304 292 HB3 CYS 40 HB3 CYS 40 9.044 2.014 -8.745 293 HA PRO 41 HA PRO 41 10.220 4.886 -12.706 294 HB2 PRO 41 HB2 PRO 41 12.830 4.183 -13.200 295 HB3 PRO 41 HB3 PRO 41 12.336 5.738 -12.465 296 HG2 PRO 41 HG2 PRO 41 13.279 3.227 -11.048 297 HG3 PRO 41 HG3 PRO 41 13.823 4.916 -10.791 298 HD2 PRO 41 HD2 PRO 41 11.957 3.761 -9.192 299 HD3 PRO 41 HD3 PRO 41 11.825 5.480 -9.650 300 H THR 42 H THR 42 9.579 3.596 -14.314 301 HA THR 42 HA THR 42 9.431 0.696 -14.034 302 HB THR 42 HB THR 42 8.317 0.862 -16.292 303 HG1 THR 42 HG1 THR 42 9.202 2.815 -16.987 304 HG21 THR 42 HG21 THR 42 6.268 1.881 -15.415 305 HG22 THR 42 HG22 THR 42 7.174 2.618 -14.076 306 HG23 THR 42 HG23 THR 42 7.026 0.849 -14.189 307 H GLY 43 H GLY 43 11.772 0.494 -13.863 308 HA2 GLY 43 HA2 GLY 43 12.948 -0.608 -16.294 309 HA3 GLY 43 HA3 GLY 43 13.698 0.921 -15.831 310 H ILE 44 H ILE 44 13.011 -2.365 -14.795 311 HA ILE 44 HA ILE 44 15.243 -2.326 -12.822 312 HB ILE 44 HB ILE 44 13.033 -2.482 -11.751 313 HG12 ILE 44 HG12 ILE 44 13.420 -4.524 -10.379 314 HG13 ILE 44 HG13 ILE 44 14.710 -5.013 -11.473 315 HG21 ILE 44 HG21 ILE 44 11.634 -4.474 -11.960 316 HG22 ILE 44 HG22 ILE 44 11.792 -3.690 -13.533 317 HG23 ILE 44 HG23 ILE 44 12.724 -5.160 -13.175 318 HD11 ILE 44 HD11 ILE 44 15.536 -3.893 -9.409 319 HD12 ILE 44 HD12 ILE 44 16.002 -2.986 -10.855 320 HD13 ILE 44 HD13 ILE 44 14.645 -2.423 -9.849 Start of MODEL 17 1 H1 LYS 1 H1 LYS 1 -11.754 -6.882 -5.431 2 H2 LYS 1 H2 LYS 1 -10.673 -6.505 -4.283 3 H3 LYS 1 H3 LYS 1 -11.840 -7.630 -3.986 4 HA LYS 1 HA LYS 1 -12.223 -4.744 -4.433 5 HB2 LYS 1 HB2 LYS 1 -14.656 -5.085 -4.131 6 HB3 LYS 1 HB3 LYS 1 -13.969 -5.753 -5.582 7 HG2 LYS 1 HG2 LYS 1 -15.628 -7.234 -4.817 8 HG3 LYS 1 HG3 LYS 1 -14.086 -8.049 -4.630 9 HD2 LYS 1 HD2 LYS 1 -14.151 -7.666 -2.196 10 HD3 LYS 1 HD3 LYS 1 -15.627 -6.685 -2.368 11 HE2 LYS 1 HE2 LYS 1 -16.816 -8.652 -3.302 12 HE3 LYS 1 HE3 LYS 1 -15.351 -9.630 -3.140 13 HZ1 LYS 1 HZ1 LYS 1 -15.484 -9.333 -0.736 14 HZ2 LYS 1 HZ2 LYS 1 -16.891 -9.951 -1.272 15 HZ3 LYS 1 HZ3 LYS 1 -16.805 -8.374 -0.871 16 H LYS 2 H LYS 2 -10.790 -6.402 -2.096 17 HA LYS 2 HA LYS 2 -12.188 -5.002 0.157 18 HB2 LYS 2 HB2 LYS 2 -10.402 -7.459 0.112 19 HB3 LYS 2 HB3 LYS 2 -10.835 -6.577 1.585 20 HG2 LYS 2 HG2 LYS 2 -13.227 -6.928 1.153 21 HG3 LYS 2 HG3 LYS 2 -12.853 -7.843 -0.311 22 HD2 LYS 2 HD2 LYS 2 -11.908 -8.641 2.477 23 HD3 LYS 2 HD3 LYS 2 -13.400 -9.224 1.728 24 HE2 LYS 2 HE2 LYS 2 -12.075 -10.139 -0.186 25 HE3 LYS 2 HE3 LYS 2 -10.585 -9.629 0.620 26 HZ1 LYS 2 HZ1 LYS 2 -11.150 -11.118 2.463 27 HZ2 LYS 2 HZ2 LYS 2 -11.098 -11.964 1.070 28 HZ3 LYS 2 HZ3 LYS 2 -12.537 -11.578 1.732 29 H VAL 3 H VAL 3 -11.264 -3.066 -0.738 30 HA VAL 3 HA VAL 3 -8.412 -2.488 -0.358 31 HB VAL 3 HB VAL 3 -9.896 -1.329 -1.981 32 HG11 VAL 3 HG11 VAL 3 -11.897 -0.961 -0.537 33 HG12 VAL 3 HG12 VAL 3 -10.971 0.227 0.406 34 HG13 VAL 3 HG13 VAL 3 -11.317 0.523 -1.306 35 HG21 VAL 3 HG21 VAL 3 -8.910 0.837 -1.816 36 HG22 VAL 3 HG22 VAL 3 -8.519 0.608 -0.110 37 HG23 VAL 3 HG23 VAL 3 -7.724 -0.390 -1.362 38 H CYS 4 H CYS 4 -7.626 -0.944 1.208 39 HA CYS 4 HA CYS 4 -8.861 -1.273 3.909 40 HB2 CYS 4 HB2 CYS 4 -6.151 -0.086 3.239 41 HB3 CYS 4 HB3 CYS 4 -6.780 -0.521 4.818 42 H ALA 5 H ALA 5 -9.441 0.473 5.208 43 HA ALA 5 HA ALA 5 -10.360 2.883 3.906 44 HB1 ALA 5 HB1 ALA 5 -10.243 2.096 6.848 45 HB2 ALA 5 HB2 ALA 5 -11.136 3.474 6.170 46 HB3 ALA 5 HB3 ALA 5 -11.598 1.821 5.730 47 H CYS 6 H CYS 6 -8.752 4.184 3.096 48 HA CYS 6 HA CYS 6 -6.819 5.391 4.980 49 HB2 CYS 6 HB2 CYS 6 -6.376 4.311 2.172 50 HB3 CYS 6 HB3 CYS 6 -5.302 5.478 2.909 51 HA PRO 7 HA PRO 7 -8.230 9.248 3.417 52 HB2 PRO 7 HB2 PRO 7 -6.075 10.875 3.786 53 HB3 PRO 7 HB3 PRO 7 -6.965 10.100 5.137 54 HG2 PRO 7 HG2 PRO 7 -4.406 9.136 3.833 55 HG3 PRO 7 HG3 PRO 7 -4.733 9.382 5.581 56 HD2 PRO 7 HD2 PRO 7 -4.982 6.959 4.400 57 HD3 PRO 7 HD3 PRO 7 -6.142 7.461 5.659 58 H LYS 8 H LYS 8 -7.991 10.922 1.809 59 HA LYS 8 HA LYS 8 -7.274 9.804 -0.775 60 HB2 LYS 8 HB2 LYS 8 -8.386 12.548 -0.048 61 HB3 LYS 8 HB3 LYS 8 -8.286 11.880 -1.682 62 HG2 LYS 8 HG2 LYS 8 -9.661 9.874 -0.661 63 HG3 LYS 8 HG3 LYS 8 -10.111 11.057 0.575 64 HD2 LYS 8 HD2 LYS 8 -10.510 11.330 -2.445 65 HD3 LYS 8 HD3 LYS 8 -11.764 10.901 -1.277 66 HE2 LYS 8 HE2 LYS 8 -11.540 13.098 -0.175 67 HE3 LYS 8 HE3 LYS 8 -10.235 13.542 -1.284 68 HZ1 LYS 8 HZ1 LYS 8 -12.370 14.441 -2.022 69 HZ2 LYS 8 HZ2 LYS 8 -13.028 12.950 -2.113 70 HZ3 LYS 8 HZ3 LYS 8 -11.817 13.375 -3.125 71 H ILE 9 H ILE 9 -5.382 11.546 1.272 72 HA ILE 9 HA ILE 9 -4.111 13.495 -0.168 73 HB ILE 9 HB ILE 9 -2.162 13.000 1.330 74 HG12 ILE 9 HG12 ILE 9 -3.863 11.263 3.058 75 HG13 ILE 9 HG13 ILE 9 -3.060 10.472 1.711 76 HG21 ILE 9 HG21 ILE 9 -4.875 13.444 2.621 77 HG22 ILE 9 HG22 ILE 9 -3.306 13.873 3.331 78 HG23 ILE 9 HG23 ILE 9 -3.852 14.677 1.854 79 HD11 ILE 9 HD11 ILE 9 -1.639 12.130 3.835 80 HD12 ILE 9 HD12 ILE 9 -1.702 10.358 3.762 81 HD13 ILE 9 HD13 ILE 9 -0.868 11.265 2.484 82 H LEU 10 H LEU 10 -3.135 13.507 -2.032 83 HA LEU 10 HA LEU 10 -2.073 11.162 -3.355 84 HB2 LEU 10 HB2 LEU 10 -1.928 14.122 -4.089 85 HB3 LEU 10 HB3 LEU 10 -1.307 12.799 -5.061 86 HG LEU 10 HG LEU 10 -3.767 11.835 -4.900 87 HD11 LEU 10 HD11 LEU 10 -4.231 14.834 -4.512 88 HD12 LEU 10 HD12 LEU 10 -4.707 13.551 -3.376 89 HD13 LEU 10 HD13 LEU 10 -5.469 13.639 -4.959 90 HD21 LEU 10 HD21 LEU 10 -3.026 14.221 -6.644 91 HD22 LEU 10 HD22 LEU 10 -4.324 13.049 -6.972 92 HD23 LEU 10 HD23 LEU 10 -2.639 12.515 -6.970 93 H LYS 11 H LYS 11 -0.472 10.294 -2.095 94 HA LYS 11 HA LYS 11 2.188 11.573 -2.377 95 HB2 LYS 11 HB2 LYS 11 1.203 12.264 -0.108 96 HB3 LYS 11 HB3 LYS 11 1.243 10.568 0.330 97 HG2 LYS 11 HG2 LYS 11 3.223 11.255 1.227 98 HG3 LYS 11 HG3 LYS 11 3.822 10.742 -0.339 99 HD2 LYS 11 HD2 LYS 11 3.205 13.616 0.519 100 HD3 LYS 11 HD3 LYS 11 4.782 12.857 0.452 101 HE2 LYS 11 HE2 LYS 11 4.959 13.889 -1.514 102 HE3 LYS 11 HE3 LYS 11 4.145 12.453 -2.117 103 HZ1 LYS 11 HZ1 LYS 11 2.821 15.032 -1.403 104 HZ2 LYS 11 HZ2 LYS 11 2.024 13.745 -2.026 105 HZ3 LYS 11 HZ3 LYS 11 3.130 14.536 -2.920 106 HA PRO 12 HA PRO 12 1.939 7.066 -3.362 107 HB2 PRO 12 HB2 PRO 12 3.325 7.166 -5.764 108 HB3 PRO 12 HB3 PRO 12 1.555 7.371 -5.596 109 HG2 PRO 12 HG2 PRO 12 3.681 9.522 -5.777 110 HG3 PRO 12 HG3 PRO 12 2.124 9.419 -6.664 111 HD2 PRO 12 HD2 PRO 12 2.382 10.957 -4.456 112 HD3 PRO 12 HD3 PRO 12 0.885 10.016 -4.736 113 H VAL 13 H VAL 13 3.638 5.539 -3.620 114 HA VAL 13 HA VAL 13 6.374 6.251 -2.733 115 HB VAL 13 HB VAL 13 6.265 4.552 -0.940 116 HG11 VAL 13 HG11 VAL 13 5.128 5.859 0.732 117 HG12 VAL 13 HG12 VAL 13 5.907 6.964 -0.410 118 HG13 VAL 13 HG13 VAL 13 4.155 6.693 -0.494 119 HG21 VAL 13 HG21 VAL 13 4.043 3.817 -0.056 120 HG22 VAL 13 HG22 VAL 13 3.258 4.496 -1.481 121 HG23 VAL 13 HG23 VAL 13 4.408 3.148 -1.648 122 H CYS 14 H CYS 14 7.874 4.505 -3.010 123 HA CYS 14 HA CYS 14 7.014 2.476 -5.040 124 HB2 CYS 14 HB2 CYS 14 8.851 3.912 -5.760 125 HB3 CYS 14 HB3 CYS 14 9.793 3.475 -4.328 126 H GLY 15 H GLY 15 6.487 0.590 -4.210 127 HA2 GLY 15 HA2 GLY 15 7.150 -0.393 -1.562 128 HA3 GLY 15 HA3 GLY 15 6.415 -1.300 -2.877 129 H SER 16 H SER 16 8.236 -2.398 -1.100 130 HA SER 16 HA SER 16 10.858 -2.707 -1.933 131 HB2 SER 16 HB2 SER 16 9.794 -3.662 0.102 132 HB3 SER 16 HB3 SER 16 9.040 -4.907 -0.906 133 HG SER 16 HG SER 16 11.828 -4.457 -0.452 134 H ASP 17 H ASP 17 8.029 -4.058 -3.500 135 HA ASP 17 HA ASP 17 9.500 -5.870 -5.289 136 HB2 ASP 17 HB2 ASP 17 7.198 -6.302 -4.419 137 HB3 ASP 17 HB3 ASP 17 6.609 -4.921 -5.343 138 H GLY 18 H GLY 18 8.710 -2.509 -5.350 139 HA2 GLY 18 HA2 GLY 18 9.652 -0.979 -6.927 140 HA3 GLY 18 HA3 GLY 18 9.567 -2.202 -8.194 141 H ARG 19 H ARG 19 6.739 -2.487 -6.678 142 HA ARG 19 HA ARG 19 5.105 -1.089 -8.628 143 HB2 ARG 19 HB2 ARG 19 4.642 -3.282 -7.475 144 HB3 ARG 19 HB3 ARG 19 4.389 -2.395 -5.977 145 HG2 ARG 19 HG2 ARG 19 2.416 -1.291 -6.883 146 HG3 ARG 19 HG3 ARG 19 2.737 -1.955 -8.503 147 HD2 ARG 19 HD2 ARG 19 2.361 -4.232 -7.652 148 HD3 ARG 19 HD3 ARG 19 2.128 -3.595 -6.014 149 HE ARG 19 HE ARG 19 0.327 -2.377 -7.953 150 HH11 ARG 19 HH11 ARG 19 0.620 -5.217 -5.937 151 HH12 ARG 19 HH12 ARG 19 -1.101 -5.485 -5.907 152 HH21 ARG 19 HH21 ARG 19 -1.839 -2.797 -7.931 153 HH22 ARG 19 HH22 ARG 19 -2.449 -4.159 -7.041 154 H THR 20 H THR 20 3.565 0.421 -8.169 155 HA THR 20 HA THR 20 4.057 2.390 -5.944 156 HB THR 20 HB THR 20 2.854 2.913 -8.689 157 HG1 THR 20 HG1 THR 20 4.687 4.208 -8.909 158 HG21 THR 20 HG21 THR 20 3.438 4.836 -6.393 159 HG22 THR 20 HG22 THR 20 1.831 4.434 -7.047 160 HG23 THR 20 HG23 THR 20 2.971 5.315 -8.041 161 H TYR 21 H TYR 21 2.441 2.986 -4.625 162 HA TYR 21 HA TYR 21 -0.368 2.229 -5.217 163 HB2 TYR 21 HB2 TYR 21 0.610 2.331 -2.387 164 HB3 TYR 21 HB3 TYR 21 -0.705 1.417 -3.124 165 HD1 TYR 21 HD2 TYR 21 2.932 1.546 -2.504 166 HD2 TYR 21 HD1 TYR 21 -0.336 -0.839 -4.000 167 HE1 TYR 21 HE2 TYR 21 4.427 -0.416 -2.611 168 HE2 TYR 21 HE1 TYR 21 1.169 -2.830 -4.077 169 HH TYR 21 HH TYR 21 4.629 -2.636 -3.182 170 H ALA 22 H ALA 22 -1.863 3.553 -3.650 171 HA ALA 22 HA ALA 22 -1.679 6.275 -4.348 172 HB1 ALA 22 HB1 ALA 22 -3.294 4.987 -2.098 173 HB2 ALA 22 HB2 ALA 22 -3.612 6.555 -2.861 174 HB3 ALA 22 HB3 ALA 22 -3.773 5.067 -3.810 175 H ASN 23 H ASN 23 -0.929 4.821 -1.144 176 HA ASN 23 HA ASN 23 1.078 6.790 -0.579 177 HB2 ASN 23 HB2 ASN 23 0.038 7.908 1.299 178 HB3 ASN 23 HB3 ASN 23 -1.029 8.091 -0.072 179 HD21 ASN 23 HD21 ASN 23 -2.067 8.566 2.335 180 HD22 ASN 23 HD22 ASN 23 -3.160 7.255 2.770 181 H SER 24 H SER 24 1.611 6.611 1.957 182 HA SER 24 HA SER 24 2.614 3.998 2.386 183 HB2 SER 24 HB2 SER 24 3.512 6.117 3.351 184 HB3 SER 24 HB3 SER 24 2.160 6.148 4.492 185 HG SER 24 HG SER 24 2.937 4.251 5.422 186 H CYS 25 H CYS 25 -0.440 5.405 3.498 187 HA CYS 25 HA CYS 25 -1.129 3.461 5.479 188 HB2 CYS 25 HB2 CYS 25 -2.172 5.648 5.370 189 HB3 CYS 25 HB3 CYS 25 -2.832 5.307 3.773 190 H ILE 26 H ILE 26 -1.703 3.543 1.927 191 HA ILE 26 HA ILE 26 -3.228 1.041 2.113 192 HB ILE 26 HB ILE 26 -3.539 2.980 0.398 193 HG12 ILE 26 HG12 ILE 26 -4.204 1.153 -1.366 194 HG13 ILE 26 HG13 ILE 26 -3.568 -0.002 -0.194 195 HG21 ILE 26 HG21 ILE 26 -2.566 2.685 -1.759 196 HG22 ILE 26 HG22 ILE 26 -1.372 3.129 -0.548 197 HG23 ILE 26 HG23 ILE 26 -1.474 1.437 -1.115 198 HD11 ILE 26 HD11 ILE 26 -5.898 1.940 0.203 199 HD12 ILE 26 HD12 ILE 26 -5.980 0.168 0.063 200 HD13 ILE 26 HD13 ILE 26 -5.252 0.910 1.489 201 H ALA 27 H ALA 27 -0.068 2.081 1.025 202 HA ALA 27 HA ALA 27 0.944 -0.301 0.048 203 HB1 ALA 27 HB1 ALA 27 2.515 1.790 1.610 204 HB2 ALA 27 HB2 ALA 27 3.188 0.602 0.474 205 HB3 ALA 27 HB3 ALA 27 2.097 1.870 -0.116 206 H ARG 28 H ARG 28 1.209 0.772 3.440 207 HA ARG 28 HA ARG 28 2.442 -1.569 4.536 208 HB2 ARG 28 HB2 ARG 28 1.778 -0.752 6.694 209 HB3 ARG 28 HB3 ARG 28 2.232 0.616 5.666 210 HG2 ARG 28 HG2 ARG 28 -0.194 1.024 5.265 211 HG3 ARG 28 HG3 ARG 28 -0.580 -0.176 6.501 212 HD2 ARG 28 HD2 ARG 28 1.066 2.354 6.934 213 HD3 ARG 28 HD3 ARG 28 -0.666 2.185 7.260 214 HE ARG 28 HE ARG 28 0.977 0.201 8.646 215 HH11 ARG 28 HH11 ARG 28 -0.344 3.429 8.949 216 HH12 ARG 28 HH12 ARG 28 -0.295 3.386 10.689 217 HH21 ARG 28 HH21 ARG 28 1.017 0.211 10.868 218 HH22 ARG 28 HH22 ARG 28 0.467 1.614 11.734 219 H CYS 29 H CYS 29 -0.908 -0.853 3.976 220 HA CYS 29 HA CYS 29 -1.939 -3.197 5.384 221 HB2 CYS 29 HB2 CYS 29 -2.985 -0.910 5.148 222 HB3 CYS 29 HB3 CYS 29 -3.413 -1.338 3.491 223 H ASN 30 H ASN 30 -1.055 -2.485 2.076 224 HA ASN 30 HA ASN 30 -2.130 -4.833 0.805 225 HB2 ASN 30 HB2 ASN 30 -0.650 -2.471 0.059 226 HB3 ASN 30 HB3 ASN 30 0.304 -3.834 -0.442 227 HD21 ASN 30 HD21 ASN 30 -2.902 -2.321 -0.705 228 HD22 ASN 30 HD22 ASN 30 -3.287 -3.090 -2.243 229 H GLY 31 H GLY 31 0.384 -4.598 3.102 230 HA2 GLY 31 HA2 GLY 31 1.420 -6.461 4.094 231 HA3 GLY 31 HA3 GLY 31 1.133 -7.424 2.652 232 H VAL 32 H VAL 32 2.631 -4.301 2.164 233 HA VAL 32 HA VAL 32 5.325 -5.524 1.774 234 HB VAL 32 HB VAL 32 4.962 -3.514 -0.180 235 HG11 VAL 32 HG11 VAL 32 6.388 -5.519 -0.359 236 HG12 VAL 32 HG12 VAL 32 4.935 -6.541 -0.488 237 HG13 VAL 32 HG13 VAL 32 5.317 -5.358 -1.759 238 HG21 VAL 32 HG21 VAL 32 2.611 -5.440 -0.313 239 HG22 VAL 32 HG22 VAL 32 2.547 -3.667 -0.085 240 HG23 VAL 32 HG23 VAL 32 3.140 -4.362 -1.596 241 H SER 33 H SER 33 7.133 -4.172 2.016 242 HA SER 33 HA SER 33 6.744 -1.767 3.665 243 HB2 SER 33 HB2 SER 33 9.378 -1.868 3.409 244 HB3 SER 33 HB3 SER 33 8.512 -2.939 4.516 245 HG SER 33 HG SER 33 9.947 -4.179 3.336 246 H ILE 34 H ILE 34 7.425 0.273 3.063 247 HA ILE 34 HA ILE 34 7.699 0.829 0.167 248 HB ILE 34 HB ILE 34 7.508 3.074 0.560 249 HG12 ILE 34 HG12 ILE 34 7.194 3.872 3.113 250 HG13 ILE 34 HG13 ILE 34 8.370 2.598 3.397 251 HG21 ILE 34 HG21 ILE 34 5.639 1.793 2.589 252 HG22 ILE 34 HG22 ILE 34 5.401 3.314 1.726 253 HG23 ILE 34 HG23 ILE 34 5.424 1.788 0.822 254 HD11 ILE 34 HD11 ILE 34 9.441 4.810 3.052 255 HD12 ILE 34 HD12 ILE 34 9.900 3.732 1.723 256 HD13 ILE 34 HD13 ILE 34 8.655 4.966 1.467 257 H LYS 35 H LYS 35 9.543 1.129 -0.858 258 HA LYS 35 HA LYS 35 12.133 0.946 0.595 259 HB2 LYS 35 HB2 LYS 35 11.130 0.240 -2.117 260 HB3 LYS 35 HB3 LYS 35 12.645 1.109 -2.162 261 HG2 LYS 35 HG2 LYS 35 12.149 -1.428 -0.544 262 HG3 LYS 35 HG3 LYS 35 12.952 -1.329 -2.121 263 HD2 LYS 35 HD2 LYS 35 14.593 0.320 -0.978 264 HD3 LYS 35 HD3 LYS 35 13.924 -0.280 0.558 265 HE2 LYS 35 HE2 LYS 35 14.566 -2.581 -0.043 266 HE3 LYS 35 HE3 LYS 35 15.158 -2.026 -1.616 267 HZ1 LYS 35 HZ1 LYS 35 16.285 -1.200 1.009 268 HZ2 LYS 35 HZ2 LYS 35 16.823 -0.685 -0.446 269 HZ3 LYS 35 HZ3 LYS 35 16.977 -2.253 -0.027 270 H SER 36 H SER 36 10.304 3.124 -1.492 271 HA SER 36 HA SER 36 11.926 5.433 -0.551 272 HB2 SER 36 HB2 SER 36 11.509 4.781 -3.502 273 HB3 SER 36 HB3 SER 36 12.096 6.329 -2.884 274 HG SER 36 HG SER 36 13.367 3.794 -2.582 275 H GLU 37 H GLU 37 10.961 7.477 -1.002 276 HA GLU 37 HA GLU 37 8.023 7.582 -1.138 277 HB2 GLU 37 HB2 GLU 37 8.356 10.012 -0.886 278 HB3 GLU 37 HB3 GLU 37 9.125 9.078 0.394 279 HG2 GLU 37 HG2 GLU 37 11.339 9.372 -0.701 280 HG3 GLU 37 HG3 GLU 37 10.577 10.283 -2.006 281 H GLY 38 H GLY 38 6.820 8.663 -2.787 282 HA2 GLY 38 HA2 GLY 38 6.384 9.612 -4.849 283 HA3 GLY 38 HA3 GLY 38 8.087 9.501 -5.309 284 H SER 39 H SER 39 6.051 8.766 -7.060 285 HA SER 39 HA SER 39 5.601 5.900 -7.157 286 HB2 SER 39 HB2 SER 39 4.265 7.542 -8.445 287 HB3 SER 39 HB3 SER 39 5.696 7.895 -9.444 288 HG SER 39 HG SER 39 4.343 6.351 -10.437 289 H CYS 40 H CYS 40 6.622 4.367 -8.417 290 HA CYS 40 HA CYS 40 9.538 4.768 -8.736 291 HB2 CYS 40 HB2 CYS 40 7.932 2.603 -7.865 292 HB3 CYS 40 HB3 CYS 40 8.653 2.086 -9.376 293 HA PRO 41 HA PRO 41 9.162 5.141 -13.160 294 HB2 PRO 41 HB2 PRO 41 11.730 4.686 -13.977 295 HB3 PRO 41 HB3 PRO 41 11.257 6.127 -13.029 296 HG2 PRO 41 HG2 PRO 41 12.456 3.535 -11.992 297 HG3 PRO 41 HG3 PRO 41 12.988 5.213 -11.649 298 HD2 PRO 41 HD2 PRO 41 11.340 3.842 -9.949 299 HD3 PRO 41 HD3 PRO 41 11.151 5.596 -10.208 300 H THR 42 H THR 42 9.140 3.957 -15.120 301 HA THR 42 HA THR 42 8.764 1.069 -14.876 302 HB THR 42 HB THR 42 7.335 2.597 -16.253 303 HG1 THR 42 HG1 THR 42 7.246 0.403 -16.598 304 HG21 THR 42 HG21 THR 42 9.599 2.478 -18.293 305 HG22 THR 42 HG22 THR 42 9.117 3.929 -17.380 306 HG23 THR 42 HG23 THR 42 7.986 3.178 -18.515 307 H GLY 43 H GLY 43 11.447 2.934 -15.491 308 HA2 GLY 43 HA2 GLY 43 13.559 1.459 -15.432 309 HA3 GLY 43 HA3 GLY 43 12.980 0.808 -16.961 310 H ILE 44 H ILE 44 12.040 3.796 -17.419 311 HA ILE 44 HA ILE 44 14.632 4.938 -18.386 312 HB ILE 44 HB ILE 44 11.925 5.272 -19.632 313 HG12 ILE 44 HG12 ILE 44 12.646 2.981 -20.059 314 HG13 ILE 44 HG13 ILE 44 12.664 3.942 -21.520 315 HG21 ILE 44 HG21 ILE 44 13.306 7.228 -20.002 316 HG22 ILE 44 HG22 ILE 44 14.687 6.228 -20.488 317 HG23 ILE 44 HG23 ILE 44 13.234 6.310 -21.507 318 HD11 ILE 44 HD11 ILE 44 14.602 2.425 -21.383 319 HD12 ILE 44 HD12 ILE 44 15.122 4.116 -21.439 320 HD13 ILE 44 HD13 ILE 44 15.149 3.223 -19.901 Start of MODEL 18 1 H1 LYS 1 H1 LYS 1 -13.516 -8.708 -2.560 2 H2 LYS 1 H2 LYS 1 -12.217 -8.066 -1.834 3 H3 LYS 1 H3 LYS 1 -13.261 -8.991 -0.970 4 HA LYS 1 HA LYS 1 -13.805 -6.339 -2.145 5 HB2 LYS 1 HB2 LYS 1 -16.066 -6.453 -1.327 6 HB3 LYS 1 HB3 LYS 1 -15.767 -7.752 -2.449 7 HG2 LYS 1 HG2 LYS 1 -15.367 -8.446 0.448 8 HG3 LYS 1 HG3 LYS 1 -17.000 -8.003 0.005 9 HD2 LYS 1 HD2 LYS 1 -15.440 -10.128 -1.525 10 HD3 LYS 1 HD3 LYS 1 -16.355 -10.504 -0.073 11 HE2 LYS 1 HE2 LYS 1 -17.604 -9.159 -2.511 12 HE3 LYS 1 HE3 LYS 1 -17.518 -10.909 -2.308 13 HZ1 LYS 1 HZ1 LYS 1 -18.905 -9.069 -0.432 14 HZ2 LYS 1 HZ2 LYS 1 -18.792 -10.689 -0.249 15 HZ3 LYS 1 HZ3 LYS 1 -19.628 -10.066 -1.500 16 H LYS 2 H LYS 2 -11.623 -6.806 -0.262 17 HA LYS 2 HA LYS 2 -12.598 -5.334 2.162 18 HB2 LYS 2 HB2 LYS 2 -10.514 -7.545 1.999 19 HB3 LYS 2 HB3 LYS 2 -10.771 -6.491 3.393 20 HG2 LYS 2 HG2 LYS 2 -13.115 -7.312 3.595 21 HG3 LYS 2 HG3 LYS 2 -12.861 -8.361 2.199 22 HD2 LYS 2 HD2 LYS 2 -12.627 -9.733 4.144 23 HD3 LYS 2 HD3 LYS 2 -11.042 -9.549 3.410 24 HE2 LYS 2 HE2 LYS 2 -10.734 -9.392 5.764 25 HE3 LYS 2 HE3 LYS 2 -10.497 -7.771 5.117 26 HZ1 LYS 2 HZ1 LYS 2 -12.777 -7.236 5.846 27 HZ2 LYS 2 HZ2 LYS 2 -11.896 -7.766 7.111 28 HZ3 LYS 2 HZ3 LYS 2 -12.989 -8.754 6.417 29 H VAL 3 H VAL 3 -12.040 -3.333 1.753 30 HA VAL 3 HA VAL 3 -9.243 -2.680 0.871 31 HB VAL 3 HB VAL 3 -11.647 -0.849 0.695 32 HG11 VAL 3 HG11 VAL 3 -10.197 0.425 -0.868 33 HG12 VAL 3 HG12 VAL 3 -9.503 0.345 0.747 34 HG13 VAL 3 HG13 VAL 3 -8.864 -0.704 -0.542 35 HG21 VAL 3 HG21 VAL 3 -10.391 -2.556 -1.503 36 HG22 VAL 3 HG22 VAL 3 -12.047 -2.707 -0.869 37 HG23 VAL 3 HG23 VAL 3 -11.583 -1.264 -1.768 38 H CYS 4 H CYS 4 -8.041 -1.409 2.119 39 HA CYS 4 HA CYS 4 -8.796 -1.063 4.929 40 HB2 CYS 4 HB2 CYS 4 -6.241 -0.169 3.553 41 HB3 CYS 4 HB3 CYS 4 -6.515 -0.443 5.274 42 H ALA 5 H ALA 5 -9.420 0.794 5.920 43 HA ALA 5 HA ALA 5 -10.247 3.091 4.409 44 HB1 ALA 5 HB1 ALA 5 -10.889 3.980 6.614 45 HB2 ALA 5 HB2 ALA 5 -11.437 2.308 6.395 46 HB3 ALA 5 HB3 ALA 5 -10.021 2.652 7.416 47 H CYS 6 H CYS 6 -8.583 4.103 3.352 48 HA CYS 6 HA CYS 6 -6.526 5.513 4.945 49 HB2 CYS 6 HB2 CYS 6 -6.346 4.238 2.189 50 HB3 CYS 6 HB3 CYS 6 -5.147 5.330 2.839 51 HA PRO 7 HA PRO 7 -8.108 9.171 3.122 52 HB2 PRO 7 HB2 PRO 7 -5.937 10.831 3.050 53 HB3 PRO 7 HB3 PRO 7 -6.678 10.225 4.568 54 HG2 PRO 7 HG2 PRO 7 -4.266 9.104 3.122 55 HG3 PRO 7 HG3 PRO 7 -4.407 9.554 4.856 56 HD2 PRO 7 HD2 PRO 7 -4.756 7.008 4.016 57 HD3 PRO 7 HD3 PRO 7 -5.803 7.663 5.301 58 H LYS 8 H LYS 8 -8.088 10.669 1.363 59 HA LYS 8 HA LYS 8 -7.571 9.433 -1.237 60 HB2 LYS 8 HB2 LYS 8 -8.736 12.145 -0.461 61 HB3 LYS 8 HB3 LYS 8 -8.789 11.472 -2.084 62 HG2 LYS 8 HG2 LYS 8 -10.138 10.182 0.330 63 HG3 LYS 8 HG3 LYS 8 -10.919 11.287 -0.799 64 HD2 LYS 8 HD2 LYS 8 -10.552 9.732 -2.670 65 HD3 LYS 8 HD3 LYS 8 -9.641 8.644 -1.618 66 HE2 LYS 8 HE2 LYS 8 -11.832 7.730 -1.887 67 HE3 LYS 8 HE3 LYS 8 -11.647 8.271 -0.217 68 HZ1 LYS 8 HZ1 LYS 8 -13.797 8.919 -1.169 69 HZ2 LYS 8 HZ2 LYS 8 -13.075 9.784 -2.347 70 HZ3 LYS 8 HZ3 LYS 8 -12.947 10.253 -0.783 71 H ILE 9 H ILE 9 -5.659 11.278 0.621 72 HA ILE 9 HA ILE 9 -4.625 13.266 -1.075 73 HB ILE 9 HB ILE 9 -4.500 13.275 1.302 74 HG12 ILE 9 HG12 ILE 9 -2.995 14.701 -0.163 75 HG13 ILE 9 HG13 ILE 9 -2.742 14.640 1.570 76 HG21 ILE 9 HG21 ILE 9 -2.223 11.257 1.165 77 HG22 ILE 9 HG22 ILE 9 -2.789 12.109 2.618 78 HG23 ILE 9 HG23 ILE 9 -3.844 10.954 1.792 79 HD11 ILE 9 HD11 ILE 9 -0.784 13.241 1.348 80 HD12 ILE 9 HD12 ILE 9 -1.049 13.066 -0.397 81 HD13 ILE 9 HD13 ILE 9 -0.630 14.646 0.282 82 H LEU 10 H LEU 10 -3.093 13.483 -2.368 83 HA LEU 10 HA LEU 10 -1.908 11.155 -3.780 84 HB2 LEU 10 HB2 LEU 10 -2.021 14.132 -4.375 85 HB3 LEU 10 HB3 LEU 10 -1.097 13.014 -5.370 86 HG LEU 10 HG LEU 10 -4.081 12.652 -4.882 87 HD11 LEU 10 HD11 LEU 10 -4.389 13.661 -7.117 88 HD12 LEU 10 HD12 LEU 10 -2.653 14.044 -7.188 89 HD13 LEU 10 HD13 LEU 10 -3.694 14.820 -5.974 90 HD21 LEU 10 HD21 LEU 10 -2.897 10.625 -5.685 91 HD22 LEU 10 HD22 LEU 10 -2.171 11.565 -7.007 92 HD23 LEU 10 HD23 LEU 10 -3.925 11.292 -6.956 93 H LYS 11 H LYS 11 -0.509 10.478 -2.064 94 HA LYS 11 HA LYS 11 2.186 11.709 -2.369 95 HB2 LYS 11 HB2 LYS 11 0.726 11.336 0.210 96 HB3 LYS 11 HB3 LYS 11 2.399 10.830 0.218 97 HG2 LYS 11 HG2 LYS 11 1.555 13.571 -0.759 98 HG3 LYS 11 HG3 LYS 11 1.968 13.230 0.914 99 HD2 LYS 11 HD2 LYS 11 3.873 12.683 -1.407 100 HD3 LYS 11 HD3 LYS 11 3.833 14.211 -0.550 101 HE2 LYS 11 HE2 LYS 11 4.290 11.551 0.872 102 HE3 LYS 11 HE3 LYS 11 5.600 12.482 0.152 103 HZ1 LYS 11 HZ1 LYS 11 3.808 13.496 2.290 104 HZ2 LYS 11 HZ2 LYS 11 5.020 14.344 1.592 105 HZ3 LYS 11 HZ3 LYS 11 5.360 13.021 2.480 106 HA PRO 12 HA PRO 12 1.942 7.214 -3.366 107 HB2 PRO 12 HB2 PRO 12 3.420 7.304 -5.721 108 HB3 PRO 12 HB3 PRO 12 1.649 7.534 -5.620 109 HG2 PRO 12 HG2 PRO 12 3.815 9.650 -5.706 110 HG3 PRO 12 HG3 PRO 12 2.294 9.577 -6.654 111 HD2 PRO 12 HD2 PRO 12 2.487 11.100 -4.430 112 HD3 PRO 12 HD3 PRO 12 0.990 10.183 -4.774 113 H VAL 13 H VAL 13 3.644 5.637 -3.587 114 HA VAL 13 HA VAL 13 6.349 6.306 -2.580 115 HB VAL 13 HB VAL 13 6.088 4.681 -0.718 116 HG11 VAL 13 HG11 VAL 13 5.831 7.141 -0.315 117 HG12 VAL 13 HG12 VAL 13 4.073 6.940 -0.442 118 HG13 VAL 13 HG13 VAL 13 4.972 6.121 0.848 119 HG21 VAL 13 HG21 VAL 13 3.780 4.136 0.107 120 HG22 VAL 13 HG22 VAL 13 3.102 4.782 -1.389 121 HG23 VAL 13 HG23 VAL 13 4.172 3.361 -1.432 122 H CYS 14 H CYS 14 7.852 4.539 -2.754 123 HA CYS 14 HA CYS 14 7.042 2.525 -4.805 124 HB2 CYS 14 HB2 CYS 14 8.928 3.953 -5.407 125 HB3 CYS 14 HB3 CYS 14 9.812 3.434 -3.967 126 H GLY 15 H GLY 15 6.396 0.652 -4.051 127 HA2 GLY 15 HA2 GLY 15 7.107 -0.579 -1.505 128 HA3 GLY 15 HA3 GLY 15 6.273 -1.329 -2.858 129 H SER 16 H SER 16 8.215 -2.606 -1.238 130 HA SER 16 HA SER 16 10.776 -2.856 -2.369 131 HB2 SER 16 HB2 SER 16 9.041 -4.935 -0.991 132 HB3 SER 16 HB3 SER 16 10.741 -5.195 -1.416 133 HG SER 16 HG SER 16 9.728 -3.120 0.256 134 H ASP 17 H ASP 17 7.788 -4.127 -3.666 135 HA ASP 17 HA ASP 17 9.060 -5.987 -5.551 136 HB2 ASP 17 HB2 ASP 17 6.769 -6.264 -4.540 137 HB3 ASP 17 HB3 ASP 17 6.224 -4.892 -5.505 138 H GLY 18 H GLY 18 8.501 -2.594 -5.506 139 HA2 GLY 18 HA2 GLY 18 9.457 -1.063 -7.038 140 HA3 GLY 18 HA3 GLY 18 9.355 -2.256 -8.338 141 H ARG 19 H ARG 19 6.506 -2.417 -6.772 142 HA ARG 19 HA ARG 19 4.954 -0.905 -8.715 143 HB2 ARG 19 HB2 ARG 19 4.434 -3.145 -7.451 144 HB3 ARG 19 HB3 ARG 19 4.022 -2.119 -6.101 145 HG2 ARG 19 HG2 ARG 19 1.990 -2.676 -7.111 146 HG3 ARG 19 HG3 ARG 19 2.237 -1.020 -7.619 147 HD2 ARG 19 HD2 ARG 19 3.015 -3.433 -9.318 148 HD3 ARG 19 HD3 ARG 19 1.386 -2.754 -9.334 149 HE ARG 19 HE ARG 19 2.772 -0.537 -9.948 150 HH11 ARG 19 HH11 ARG 19 2.793 -3.700 -11.412 151 HH12 ARG 19 HH12 ARG 19 3.243 -3.072 -12.974 152 HH21 ARG 19 HH21 ARG 19 3.464 0.199 -11.926 153 HH22 ARG 19 HH22 ARG 19 3.599 -0.925 -13.241 154 H THR 20 H THR 20 3.471 0.683 -8.157 155 HA THR 20 HA THR 20 4.120 2.537 -5.891 156 HB THR 20 HB THR 20 3.084 3.245 -8.661 157 HG1 THR 20 HG1 THR 20 5.248 2.736 -8.660 158 HG21 THR 20 HG21 THR 20 3.844 5.020 -6.303 159 HG22 THR 20 HG22 THR 20 2.213 4.841 -7.002 160 HG23 THR 20 HG23 THR 20 3.490 5.583 -7.955 161 H TYR 21 H TYR 21 2.476 3.232 -4.628 162 HA TYR 21 HA TYR 21 -0.340 2.528 -5.295 163 HB2 TYR 21 HB2 TYR 21 0.554 2.498 -2.447 164 HB3 TYR 21 HB3 TYR 21 -0.686 1.565 -3.272 165 HD1 TYR 21 HD2 TYR 21 2.882 1.820 -2.437 166 HD2 TYR 21 HD1 TYR 21 -0.130 -0.616 -4.325 167 HE1 TYR 21 HE2 TYR 21 4.451 -0.096 -2.453 168 HE2 TYR 21 HE1 TYR 21 1.460 -2.537 -4.372 169 HH TYR 21 HH TYR 21 3.577 -3.266 -3.870 170 H ALA 22 H ALA 22 -1.843 3.734 -3.619 171 HA ALA 22 HA ALA 22 -1.764 6.467 -4.208 172 HB1 ALA 22 HB1 ALA 22 -3.233 5.088 -1.915 173 HB2 ALA 22 HB2 ALA 22 -3.633 6.658 -2.635 174 HB3 ALA 22 HB3 ALA 22 -3.792 5.181 -3.602 175 H ASN 23 H ASN 23 -0.892 4.968 -1.062 176 HA ASN 23 HA ASN 23 1.138 6.889 -0.496 177 HB2 ASN 23 HB2 ASN 23 0.205 8.021 1.378 178 HB3 ASN 23 HB3 ASN 23 -0.996 8.170 0.117 179 HD21 ASN 23 HD21 ASN 23 -1.442 8.467 2.948 180 HD22 ASN 23 HD22 ASN 23 -2.587 7.209 3.379 181 H SER 24 H SER 24 1.635 6.601 2.108 182 HA SER 24 HA SER 24 2.732 3.996 2.380 183 HB2 SER 24 HB2 SER 24 3.143 4.711 4.753 184 HB3 SER 24 HB3 SER 24 3.701 5.874 3.535 185 HG SER 24 HG SER 24 2.518 6.879 5.256 186 H CYS 25 H CYS 25 -0.305 5.299 3.660 187 HA CYS 25 HA CYS 25 -0.990 3.256 5.493 188 HB2 CYS 25 HB2 CYS 25 -2.106 5.404 5.416 189 HB3 CYS 25 HB3 CYS 25 -2.734 5.080 3.802 190 H ILE 26 H ILE 26 -1.716 3.475 1.969 191 HA ILE 26 HA ILE 26 -3.214 0.983 2.038 192 HB ILE 26 HB ILE 26 -3.462 3.033 0.409 193 HG12 ILE 26 HG12 ILE 26 -4.197 1.350 -1.427 194 HG13 ILE 26 HG13 ILE 26 -3.605 0.095 -0.330 195 HG21 ILE 26 HG21 ILE 26 -2.486 2.792 -1.764 196 HG22 ILE 26 HG22 ILE 26 -1.250 3.086 -0.549 197 HG23 ILE 26 HG23 ILE 26 -1.480 1.442 -1.204 198 HD11 ILE 26 HD11 ILE 26 -6.072 0.444 -0.158 199 HD12 ILE 26 HD12 ILE 26 -5.280 0.820 1.380 200 HD13 ILE 26 HD13 ILE 26 -5.801 2.136 0.303 201 H ALA 27 H ALA 27 -0.040 2.027 0.998 202 HA ALA 27 HA ALA 27 0.947 -0.347 -0.050 203 HB1 ALA 27 HB1 ALA 27 2.546 1.728 1.511 204 HB2 ALA 27 HB2 ALA 27 3.187 0.581 0.319 205 HB3 ALA 27 HB3 ALA 27 2.070 1.861 -0.191 206 H ARG 28 H ARG 28 1.260 0.755 3.305 207 HA ARG 28 HA ARG 28 2.447 -1.523 4.550 208 HB2 ARG 28 HB2 ARG 28 0.497 0.598 5.557 209 HB3 ARG 28 HB3 ARG 28 1.249 -0.574 6.624 210 HG2 ARG 28 HG2 ARG 28 3.050 1.101 4.858 211 HG3 ARG 28 HG3 ARG 28 2.274 1.867 6.243 212 HD2 ARG 28 HD2 ARG 28 3.247 0.268 7.778 213 HD3 ARG 28 HD3 ARG 28 3.898 -0.707 6.446 214 HE ARG 28 HE ARG 28 5.060 1.729 5.994 215 HH11 ARG 28 HH11 ARG 28 4.996 -0.231 8.891 216 HH12 ARG 28 HH12 ARG 28 6.561 0.329 9.415 217 HH21 ARG 28 HH21 ARG 28 7.055 2.390 6.704 218 HH22 ARG 28 HH22 ARG 28 7.690 1.767 8.196 219 H CYS 29 H CYS 29 -0.999 -0.846 3.861 220 HA CYS 29 HA CYS 29 -1.901 -3.171 5.370 221 HB2 CYS 29 HB2 CYS 29 -3.102 -0.899 4.860 222 HB3 CYS 29 HB3 CYS 29 -3.585 -1.685 3.356 223 H ASN 30 H ASN 30 -1.033 -2.560 2.035 224 HA ASN 30 HA ASN 30 -2.139 -4.906 0.824 225 HB2 ASN 30 HB2 ASN 30 -0.647 -2.583 0.023 226 HB3 ASN 30 HB3 ASN 30 0.302 -3.953 -0.460 227 HD21 ASN 30 HD21 ASN 30 -2.874 -2.404 -0.750 228 HD22 ASN 30 HD22 ASN 30 -3.290 -3.214 -2.258 229 H GLY 31 H GLY 31 0.374 -4.754 3.100 230 HA2 GLY 31 HA2 GLY 31 1.436 -6.623 4.047 231 HA3 GLY 31 HA3 GLY 31 1.103 -7.576 2.608 232 H VAL 32 H VAL 32 2.571 -4.479 2.026 233 HA VAL 32 HA VAL 32 5.260 -5.698 1.602 234 HB VAL 32 HB VAL 32 4.983 -3.537 -0.182 235 HG11 VAL 32 HG11 VAL 32 4.792 -6.522 -0.737 236 HG12 VAL 32 HG12 VAL 32 5.240 -5.260 -1.908 237 HG13 VAL 32 HG13 VAL 32 6.297 -5.596 -0.528 238 HG21 VAL 32 HG21 VAL 32 2.539 -5.314 -0.494 239 HG22 VAL 32 HG22 VAL 32 2.556 -3.573 -0.081 240 HG23 VAL 32 HG23 VAL 32 3.132 -4.124 -1.654 241 H SER 33 H SER 33 7.035 -4.183 1.528 242 HA SER 33 HA SER 33 6.718 -1.930 3.467 243 HB2 SER 33 HB2 SER 33 9.426 -3.016 2.991 244 HB3 SER 33 HB3 SER 33 8.649 -2.499 4.485 245 HG SER 33 HG SER 33 9.128 -4.789 4.354 246 H ILE 34 H ILE 34 7.357 0.066 2.815 247 HA ILE 34 HA ILE 34 8.168 0.433 0.005 248 HB ILE 34 HB ILE 34 7.915 2.788 0.337 249 HG12 ILE 34 HG12 ILE 34 7.219 2.252 3.261 250 HG13 ILE 34 HG13 ILE 34 8.720 2.987 2.690 251 HG21 ILE 34 HG21 ILE 34 5.577 1.230 1.543 252 HG22 ILE 34 HG22 ILE 34 5.495 2.780 0.710 253 HG23 ILE 34 HG23 ILE 34 5.967 1.340 -0.190 254 HD11 ILE 34 HD11 ILE 34 7.400 4.845 1.651 255 HD12 ILE 34 HD12 ILE 34 5.941 4.181 2.428 256 HD13 ILE 34 HD13 ILE 34 7.288 4.753 3.419 257 H LYS 35 H LYS 35 10.038 1.133 -0.788 258 HA LYS 35 HA LYS 35 12.429 1.198 1.022 259 HB2 LYS 35 HB2 LYS 35 11.951 0.367 -1.779 260 HB3 LYS 35 HB3 LYS 35 13.282 1.500 -1.637 261 HG2 LYS 35 HG2 LYS 35 14.187 -0.709 -1.433 262 HG3 LYS 35 HG3 LYS 35 14.312 0.078 0.146 263 HD2 LYS 35 HD2 LYS 35 12.237 -1.142 0.879 264 HD3 LYS 35 HD3 LYS 35 12.177 -1.924 -0.713 265 HE2 LYS 35 HE2 LYS 35 14.363 -2.973 -0.311 266 HE3 LYS 35 HE3 LYS 35 14.509 -2.143 1.246 267 HZ1 LYS 35 HZ1 LYS 35 13.649 -4.489 1.373 268 HZ2 LYS 35 HZ2 LYS 35 12.264 -3.988 0.631 269 HZ3 LYS 35 HZ3 LYS 35 12.671 -3.392 2.089 270 H SER 36 H SER 36 10.570 3.232 -1.144 271 HA SER 36 HA SER 36 11.890 5.654 -0.061 272 HB2 SER 36 HB2 SER 36 11.768 5.085 -3.057 273 HB3 SER 36 HB3 SER 36 12.341 6.580 -2.302 274 HG SER 36 HG SER 36 13.990 5.271 -1.264 275 H GLU 37 H GLU 37 10.829 7.618 -0.664 276 HA GLU 37 HA GLU 37 7.901 7.460 -1.006 277 HB2 GLU 37 HB2 GLU 37 9.817 9.792 -0.583 278 HB3 GLU 37 HB3 GLU 37 8.063 9.950 -0.736 279 HG2 GLU 37 HG2 GLU 37 7.732 8.542 1.265 280 HG3 GLU 37 HG3 GLU 37 9.477 8.353 1.443 281 H GLY 38 H GLY 38 6.785 8.721 -2.651 282 HA2 GLY 38 HA2 GLY 38 6.498 9.751 -4.704 283 HA3 GLY 38 HA3 GLY 38 8.209 9.547 -5.096 284 H SER 39 H SER 39 6.328 8.998 -6.974 285 HA SER 39 HA SER 39 5.632 6.194 -7.238 286 HB2 SER 39 HB2 SER 39 4.602 8.022 -8.571 287 HB3 SER 39 HB3 SER 39 6.166 8.300 -9.373 288 HG SER 39 HG SER 39 4.774 6.971 -10.617 289 H CYS 40 H CYS 40 6.617 4.645 -8.517 290 HA CYS 40 HA CYS 40 9.594 4.820 -8.540 291 HB2 CYS 40 HB2 CYS 40 7.934 2.951 -7.398 292 HB3 CYS 40 HB3 CYS 40 8.432 2.139 -8.876 293 HA PRO 41 HA PRO 41 9.482 4.772 -12.992 294 HB2 PRO 41 HB2 PRO 41 12.107 4.289 -13.588 295 HB3 PRO 41 HB3 PRO 41 11.545 5.815 -12.847 296 HG2 PRO 41 HG2 PRO 41 12.725 3.394 -11.444 297 HG3 PRO 41 HG3 PRO 41 13.193 5.117 -11.259 298 HD2 PRO 41 HD2 PRO 41 11.468 3.900 -9.520 299 HD3 PRO 41 HD3 PRO 41 11.249 5.603 -9.998 300 H THR 42 H THR 42 9.536 3.383 -14.811 301 HA THR 42 HA THR 42 9.259 0.519 -14.290 302 HB THR 42 HB THR 42 8.750 0.460 -16.779 303 HG1 THR 42 HG1 THR 42 9.729 2.274 -17.547 304 HG21 THR 42 HG21 THR 42 6.970 0.641 -15.081 305 HG22 THR 42 HG22 THR 42 6.575 1.545 -16.553 306 HG23 THR 42 HG23 THR 42 7.119 2.414 -15.103 307 H GLY 43 H GLY 43 11.952 2.335 -14.855 308 HA2 GLY 43 HA2 GLY 43 13.755 0.234 -14.859 309 HA3 GLY 43 HA3 GLY 43 13.506 0.544 -16.577 310 H ILE 44 H ILE 44 13.240 3.415 -16.368 311 HA ILE 44 HA ILE 44 15.871 4.393 -15.368 312 HB ILE 44 HB ILE 44 14.812 5.110 -18.085 313 HG12 ILE 44 HG12 ILE 44 17.071 3.166 -17.414 314 HG13 ILE 44 HG13 ILE 44 15.520 2.740 -18.143 315 HG21 ILE 44 HG21 ILE 44 16.228 6.809 -16.880 316 HG22 ILE 44 HG22 ILE 44 17.523 5.600 -16.756 317 HG23 ILE 44 HG23 ILE 44 17.000 6.217 -18.339 318 HD11 ILE 44 HD11 ILE 44 17.125 2.759 -19.889 319 HD12 ILE 44 HD12 ILE 44 16.078 4.174 -20.121 320 HD13 ILE 44 HD13 ILE 44 17.719 4.364 -19.449 Start of MODEL 19 1 H1 LYS 1 H1 LYS 1 -7.359 -7.794 -5.084 2 H2 LYS 1 H2 LYS 1 -6.563 -9.221 -4.964 3 H3 LYS 1 H3 LYS 1 -8.118 -9.105 -4.481 4 HA LYS 1 HA LYS 1 -6.680 -9.154 -2.552 5 HB2 LYS 1 HB2 LYS 1 -5.458 -6.666 -3.837 6 HB3 LYS 1 HB3 LYS 1 -5.224 -7.128 -2.149 7 HG2 LYS 1 HG2 LYS 1 -4.234 -9.296 -2.863 8 HG3 LYS 1 HG3 LYS 1 -4.388 -8.794 -4.559 9 HD2 LYS 1 HD2 LYS 1 -2.894 -6.859 -4.138 10 HD3 LYS 1 HD3 LYS 1 -2.815 -7.284 -2.426 11 HE2 LYS 1 HE2 LYS 1 -0.792 -8.036 -3.433 12 HE3 LYS 1 HE3 LYS 1 -1.746 -9.455 -2.998 13 HZ1 LYS 1 HZ1 LYS 1 -1.568 -8.300 -5.737 14 HZ2 LYS 1 HZ2 LYS 1 -2.402 -9.651 -5.337 15 HZ3 LYS 1 HZ3 LYS 1 -0.778 -9.634 -5.231 16 H LYS 2 H LYS 2 -7.236 -8.027 -0.633 17 HA LYS 2 HA LYS 2 -9.785 -6.563 -0.698 18 HB2 LYS 2 HB2 LYS 2 -7.892 -7.420 1.545 19 HB3 LYS 2 HB3 LYS 2 -9.288 -6.397 1.825 20 HG2 LYS 2 HG2 LYS 2 -10.120 -8.463 2.338 21 HG3 LYS 2 HG3 LYS 2 -10.732 -8.187 0.709 22 HD2 LYS 2 HD2 LYS 2 -8.930 -9.708 -0.183 23 HD3 LYS 2 HD3 LYS 2 -8.312 -9.892 1.464 24 HE2 LYS 2 HE2 LYS 2 -9.595 -11.832 1.045 25 HE3 LYS 2 HE3 LYS 2 -10.559 -10.832 2.136 26 HZ1 LYS 2 HZ1 LYS 2 -11.859 -10.111 0.194 27 HZ2 LYS 2 HZ2 LYS 2 -11.891 -11.736 0.318 28 HZ3 LYS 2 HZ3 LYS 2 -10.947 -11.033 -0.807 29 H VAL 3 H VAL 3 -9.977 -4.587 0.693 30 HA VAL 3 HA VAL 3 -7.961 -2.508 -0.106 31 HB VAL 3 HB VAL 3 -10.995 -2.244 0.023 32 HG11 VAL 3 HG11 VAL 3 -8.860 -0.265 -0.898 33 HG12 VAL 3 HG12 VAL 3 -10.605 -0.071 -1.154 34 HG13 VAL 3 HG13 VAL 3 -9.975 -0.074 0.483 35 HG21 VAL 3 HG21 VAL 3 -10.860 -1.982 -2.449 36 HG22 VAL 3 HG22 VAL 3 -9.129 -2.381 -2.388 37 HG23 VAL 3 HG23 VAL 3 -10.354 -3.587 -1.935 38 H CYS 4 H CYS 4 -7.756 -0.690 1.307 39 HA CYS 4 HA CYS 4 -8.561 -1.177 4.149 40 HB2 CYS 4 HB2 CYS 4 -5.940 -0.939 2.954 41 HB3 CYS 4 HB3 CYS 4 -6.208 0.442 3.998 42 H ALA 5 H ALA 5 -9.021 0.591 5.439 43 HA ALA 5 HA ALA 5 -10.092 2.987 4.148 44 HB1 ALA 5 HB1 ALA 5 -10.778 3.565 6.442 45 HB2 ALA 5 HB2 ALA 5 -11.279 1.922 6.004 46 HB3 ALA 5 HB3 ALA 5 -9.882 2.168 7.076 47 H CYS 6 H CYS 6 -8.354 4.069 3.220 48 HA CYS 6 HA CYS 6 -6.436 5.396 5.043 49 HB2 CYS 6 HB2 CYS 6 -6.037 4.298 2.238 50 HB3 CYS 6 HB3 CYS 6 -4.929 5.415 3.005 51 HA PRO 7 HA PRO 7 -7.994 9.143 3.335 52 HB2 PRO 7 HB2 PRO 7 -5.773 10.789 3.342 53 HB3 PRO 7 HB3 PRO 7 -6.679 10.274 4.801 54 HG2 PRO 7 HG2 PRO 7 -4.128 9.113 3.683 55 HG3 PRO 7 HG3 PRO 7 -4.511 9.532 5.383 56 HD2 PRO 7 HD2 PRO 7 -4.707 6.996 4.436 57 HD3 PRO 7 HD3 PRO 7 -5.892 7.600 5.622 58 H LYS 8 H LYS 8 -8.028 10.579 1.545 59 HA LYS 8 HA LYS 8 -7.378 9.367 -1.003 60 HB2 LYS 8 HB2 LYS 8 -9.439 10.888 -0.107 61 HB3 LYS 8 HB3 LYS 8 -8.384 12.189 -0.611 62 HG2 LYS 8 HG2 LYS 8 -9.532 11.953 -2.533 63 HG3 LYS 8 HG3 LYS 8 -8.306 10.748 -2.895 64 HD2 LYS 8 HD2 LYS 8 -11.115 10.206 -1.812 65 HD3 LYS 8 HD3 LYS 8 -10.579 10.037 -3.473 66 HE2 LYS 8 HE2 LYS 8 -10.479 7.861 -2.853 67 HE3 LYS 8 HE3 LYS 8 -8.816 8.343 -2.534 68 HZ1 LYS 8 HZ1 LYS 8 -9.780 7.068 -0.689 69 HZ2 LYS 8 HZ2 LYS 8 -10.997 8.133 -0.509 70 HZ3 LYS 8 HZ3 LYS 8 -9.463 8.577 -0.157 71 H ILE 9 H ILE 9 -5.503 11.162 0.918 72 HA ILE 9 HA ILE 9 -4.360 13.211 -0.532 73 HB ILE 9 HB ILE 9 -3.995 12.896 1.796 74 HG12 ILE 9 HG12 ILE 9 -1.329 13.019 0.354 75 HG13 ILE 9 HG13 ILE 9 -2.498 14.340 0.443 76 HG21 ILE 9 HG21 ILE 9 -3.556 10.373 1.747 77 HG22 ILE 9 HG22 ILE 9 -1.915 10.742 1.191 78 HG23 ILE 9 HG23 ILE 9 -2.468 11.295 2.787 79 HD11 ILE 9 HD11 ILE 9 -0.775 14.710 2.091 80 HD12 ILE 9 HD12 ILE 9 -2.291 14.334 2.935 81 HD13 ILE 9 HD13 ILE 9 -1.010 13.104 2.795 82 H LEU 10 H LEU 10 -3.015 13.546 -1.958 83 HA LEU 10 HA LEU 10 -2.020 11.413 -3.745 84 HB2 LEU 10 HB2 LEU 10 -3.211 13.640 -4.373 85 HB3 LEU 10 HB3 LEU 10 -1.649 14.405 -4.157 86 HG LEU 10 HG LEU 10 -2.371 12.163 -6.103 87 HD11 LEU 10 HD11 LEU 10 -1.657 15.087 -6.583 88 HD12 LEU 10 HD12 LEU 10 -3.290 14.390 -6.668 89 HD13 LEU 10 HD13 LEU 10 -2.055 13.884 -7.831 90 HD21 LEU 10 HD21 LEU 10 0.282 13.634 -5.796 91 HD22 LEU 10 HD22 LEU 10 -0.156 12.582 -7.162 92 HD23 LEU 10 HD23 LEU 10 -0.015 11.898 -5.545 93 H LYS 11 H LYS 11 -0.527 10.505 -2.189 94 HA LYS 11 HA LYS 11 2.156 11.808 -2.259 95 HB2 LYS 11 HB2 LYS 11 0.945 12.498 -0.137 96 HB3 LYS 11 HB3 LYS 11 1.019 10.811 0.373 97 HG2 LYS 11 HG2 LYS 11 3.582 10.978 0.044 98 HG3 LYS 11 HG3 LYS 11 3.338 12.686 -0.302 99 HD2 LYS 11 HD2 LYS 11 3.987 12.578 1.982 100 HD3 LYS 11 HD3 LYS 11 2.265 12.944 1.969 101 HE2 LYS 11 HE2 LYS 11 2.637 11.334 3.698 102 HE3 LYS 11 HE3 LYS 11 1.782 10.505 2.396 103 HZ1 LYS 11 HZ1 LYS 11 3.646 9.191 3.257 104 HZ2 LYS 11 HZ2 LYS 11 4.715 10.366 2.882 105 HZ3 LYS 11 HZ3 LYS 11 3.926 9.567 1.689 106 HA PRO 12 HA PRO 12 1.897 7.264 -3.230 107 HB2 PRO 12 HB2 PRO 12 3.467 7.264 -5.515 108 HB3 PRO 12 HB3 PRO 12 1.711 7.604 -5.482 109 HG2 PRO 12 HG2 PRO 12 3.999 9.592 -5.457 110 HG3 PRO 12 HG3 PRO 12 2.536 9.594 -6.498 111 HD2 PRO 12 HD2 PRO 12 2.645 11.120 -4.281 112 HD3 PRO 12 HD3 PRO 12 1.145 10.226 -4.684 113 H VAL 13 H VAL 13 3.584 5.621 -3.579 114 HA VAL 13 HA VAL 13 6.270 6.182 -2.461 115 HB VAL 13 HB VAL 13 6.065 4.312 -0.867 116 HG11 VAL 13 HG11 VAL 13 4.851 5.437 0.869 117 HG12 VAL 13 HG12 VAL 13 5.687 6.654 -0.102 118 HG13 VAL 13 HG13 VAL 13 3.940 6.410 -0.305 119 HG21 VAL 13 HG21 VAL 13 3.095 4.326 -1.575 120 HG22 VAL 13 HG22 VAL 13 4.261 3.002 -1.818 121 HG23 VAL 13 HG23 VAL 13 3.805 3.495 -0.189 122 H CYS 14 H CYS 14 7.758 4.389 -2.719 123 HA CYS 14 HA CYS 14 7.088 2.638 -5.050 124 HB2 CYS 14 HB2 CYS 14 9.051 4.030 -5.412 125 HB3 CYS 14 HB3 CYS 14 9.793 3.429 -3.920 126 H GLY 15 H GLY 15 6.354 0.726 -4.486 127 HA2 GLY 15 HA2 GLY 15 6.884 -0.549 -1.924 128 HA3 GLY 15 HA3 GLY 15 6.091 -1.274 -3.344 129 H SER 16 H SER 16 8.059 -2.423 -1.532 130 HA SER 16 HA SER 16 10.575 -2.833 -2.765 131 HB2 SER 16 HB2 SER 16 9.853 -3.519 -0.455 132 HB3 SER 16 HB3 SER 16 9.010 -4.900 -1.185 133 HG SER 16 HG SER 16 11.150 -5.413 -0.485 134 H ASP 17 H ASP 17 7.442 -4.151 -3.640 135 HA ASP 17 HA ASP 17 8.367 -6.272 -5.401 136 HB2 ASP 17 HB2 ASP 17 6.143 -6.159 -4.232 137 HB3 ASP 17 HB3 ASP 17 5.695 -4.818 -5.285 138 H GLY 18 H GLY 18 8.081 -2.836 -5.733 139 HA2 GLY 18 HA2 GLY 18 9.233 -1.667 -7.480 140 HA3 GLY 18 HA3 GLY 18 8.782 -2.932 -8.627 141 H ARG 19 H ARG 19 6.090 -2.570 -7.006 142 HA ARG 19 HA ARG 19 4.696 -0.935 -8.976 143 HB2 ARG 19 HB2 ARG 19 3.994 -3.101 -7.624 144 HB3 ARG 19 HB3 ARG 19 3.653 -1.976 -6.338 145 HG2 ARG 19 HG2 ARG 19 1.587 -2.374 -7.306 146 HG3 ARG 19 HG3 ARG 19 2.003 -0.813 -7.984 147 HD2 ARG 19 HD2 ARG 19 2.491 -3.473 -9.390 148 HD3 ARG 19 HD3 ARG 19 0.985 -2.572 -9.541 149 HE ARG 19 HE ARG 19 2.454 -0.646 -10.416 150 HH11 ARG 19 HH11 ARG 19 3.029 -4.003 -11.197 151 HH12 ARG 19 HH12 ARG 19 3.718 -3.615 -12.749 152 HH21 ARG 19 HH21 ARG 19 3.392 -0.211 -12.370 153 HH22 ARG 19 HH22 ARG 19 3.906 -1.525 -13.383 154 H THR 20 H THR 20 3.396 0.797 -8.476 155 HA THR 20 HA THR 20 3.996 2.515 -6.081 156 HB THR 20 HB THR 20 2.955 3.363 -8.814 157 HG1 THR 20 HG1 THR 20 4.888 4.485 -8.901 158 HG21 THR 20 HG21 THR 20 3.238 5.686 -7.963 159 HG22 THR 20 HG22 THR 20 3.586 5.037 -6.346 160 HG23 THR 20 HG23 THR 20 1.985 4.827 -7.096 161 H TYR 21 H TYR 21 2.328 3.184 -4.804 162 HA TYR 21 HA TYR 21 -0.481 2.548 -5.532 163 HB2 TYR 21 HB2 TYR 21 0.410 2.422 -2.680 164 HB3 TYR 21 HB3 TYR 21 -0.878 1.562 -3.509 165 HD1 TYR 21 HD2 TYR 21 2.753 1.704 -2.853 166 HD2 TYR 21 HD1 TYR 21 -0.451 -0.671 -4.484 167 HE1 TYR 21 HE2 TYR 21 4.255 -0.256 -2.924 168 HE2 TYR 21 HE1 TYR 21 1.071 -2.646 -4.575 169 HH TYR 21 HH TYR 21 3.177 -3.455 -4.128 170 H ALA 22 H ALA 22 -1.974 3.783 -3.824 171 HA ALA 22 HA ALA 22 -1.792 6.517 -4.443 172 HB1 ALA 22 HB1 ALA 22 -3.674 6.770 -2.875 173 HB2 ALA 22 HB2 ALA 22 -3.879 5.325 -3.881 174 HB3 ALA 22 HB3 ALA 22 -3.349 5.167 -2.189 175 H ASN 23 H ASN 23 -0.982 4.987 -1.293 176 HA ASN 23 HA ASN 23 1.130 6.879 -0.845 177 HB2 ASN 23 HB2 ASN 23 0.308 7.889 1.196 178 HB3 ASN 23 HB3 ASN 23 -0.886 8.172 -0.051 179 HD21 ASN 23 HD21 ASN 23 -1.648 8.500 2.522 180 HD22 ASN 23 HD22 ASN 23 -2.716 7.176 2.971 181 H SER 24 H SER 24 1.802 6.490 1.737 182 HA SER 24 HA SER 24 2.848 3.836 1.836 183 HB2 SER 24 HB2 SER 24 3.413 4.496 4.228 184 HB3 SER 24 HB3 SER 24 4.028 5.581 2.970 185 HG SER 24 HG SER 24 2.968 6.643 4.791 186 H CYS 25 H CYS 25 -0.035 5.211 3.259 187 HA CYS 25 HA CYS 25 -0.638 3.207 5.188 188 HB2 CYS 25 HB2 CYS 25 -1.663 5.394 5.203 189 HB3 CYS 25 HB3 CYS 25 -2.449 5.100 3.657 190 H ILE 26 H ILE 26 -1.663 3.397 1.739 191 HA ILE 26 HA ILE 26 -3.381 1.070 1.970 192 HB ILE 26 HB ILE 26 -3.515 3.046 0.267 193 HG12 ILE 26 HG12 ILE 26 -4.341 1.422 -1.553 194 HG13 ILE 26 HG13 ILE 26 -3.784 0.119 -0.494 195 HG21 ILE 26 HG21 ILE 26 -1.630 1.359 -1.363 196 HG22 ILE 26 HG22 ILE 26 -2.528 2.800 -1.872 197 HG23 ILE 26 HG23 ILE 26 -1.271 2.953 -0.652 198 HD11 ILE 26 HD11 ILE 26 -6.235 0.555 -0.288 199 HD12 ILE 26 HD12 ILE 26 -5.410 0.849 1.250 200 HD13 ILE 26 HD13 ILE 26 -5.894 2.219 0.227 201 H ALA 27 H ALA 27 -0.209 1.740 0.841 202 HA ALA 27 HA ALA 27 0.506 -0.789 -0.164 203 HB1 ALA 27 HB1 ALA 27 2.170 1.522 0.864 204 HB2 ALA 27 HB2 ALA 27 2.781 0.191 -0.177 205 HB3 ALA 27 HB3 ALA 27 1.548 1.326 -0.767 206 H ARG 28 H ARG 28 1.119 0.652 3.053 207 HA ARG 28 HA ARG 28 2.380 -1.558 4.385 208 HB2 ARG 28 HB2 ARG 28 0.566 0.696 5.314 209 HB3 ARG 28 HB3 ARG 28 1.235 -0.471 6.441 210 HG2 ARG 28 HG2 ARG 28 3.181 0.900 4.584 211 HG3 ARG 28 HG3 ARG 28 2.430 1.860 5.861 212 HD2 ARG 28 HD2 ARG 28 3.225 0.317 7.575 213 HD3 ARG 28 HD3 ARG 28 3.876 -0.776 6.353 214 HE ARG 28 HE ARG 28 4.888 1.998 6.950 215 HH11 ARG 28 HH11 ARG 28 5.638 -1.199 5.668 216 HH12 ARG 28 HH12 ARG 28 7.347 -0.793 5.620 217 HH21 ARG 28 HH21 ARG 28 7.074 2.375 6.705 218 HH22 ARG 28 HH22 ARG 28 8.080 1.110 6.055 219 H CYS 29 H CYS 29 -1.038 -1.020 3.586 220 HA CYS 29 HA CYS 29 -1.961 -3.223 5.327 221 HB2 CYS 29 HB2 CYS 29 -3.287 -1.213 5.015 222 HB3 CYS 29 HB3 CYS 29 -3.398 -1.499 3.280 223 H ASN 30 H ASN 30 -1.234 -2.681 1.932 224 HA ASN 30 HA ASN 30 -1.704 -5.375 0.965 225 HB2 ASN 30 HB2 ASN 30 -0.311 -2.858 0.037 226 HB3 ASN 30 HB3 ASN 30 0.138 -4.360 -0.712 227 HD21 ASN 30 HD21 ASN 30 -2.635 -2.215 -0.050 228 HD22 ASN 30 HD22 ASN 30 -3.594 -2.868 -1.390 229 H GLY 31 H GLY 31 0.495 -4.344 3.313 230 HA2 GLY 31 HA2 GLY 31 1.917 -5.726 4.514 231 HA3 GLY 31 HA3 GLY 31 1.921 -6.902 3.206 232 H VAL 32 H VAL 32 2.671 -3.720 2.126 233 HA VAL 32 HA VAL 32 5.330 -4.623 1.345 234 HB VAL 32 HB VAL 32 4.112 -1.953 0.779 235 HG11 VAL 32 HG11 VAL 32 6.389 -2.019 0.048 236 HG12 VAL 32 HG12 VAL 32 6.173 -3.650 -0.662 237 HG13 VAL 32 HG13 VAL 32 5.376 -2.238 -1.376 238 HG21 VAL 32 HG21 VAL 32 3.141 -2.837 -1.267 239 HG22 VAL 32 HG22 VAL 32 3.778 -4.465 -0.928 240 HG23 VAL 32 HG23 VAL 32 2.476 -3.767 0.051 241 H SER 33 H SER 33 7.229 -3.536 1.646 242 HA SER 33 HA SER 33 7.650 -2.752 4.391 243 HB2 SER 33 HB2 SER 33 9.653 -3.000 2.104 244 HB3 SER 33 HB3 SER 33 10.042 -2.914 3.819 245 HG SER 33 HG SER 33 8.943 -4.899 4.102 246 H ILE 34 H ILE 34 7.419 -1.059 1.718 247 HA ILE 34 HA ILE 34 7.867 1.031 0.776 248 HB ILE 34 HB ILE 34 7.656 2.007 3.615 249 HG12 ILE 34 HG12 ILE 34 5.692 0.680 3.155 250 HG13 ILE 34 HG13 ILE 34 5.241 2.359 3.030 251 HG21 ILE 34 HG21 ILE 34 8.438 3.843 2.287 252 HG22 ILE 34 HG22 ILE 34 7.322 3.472 0.966 253 HG23 ILE 34 HG23 ILE 34 6.702 4.089 2.509 254 HD11 ILE 34 HD11 ILE 34 4.228 1.280 1.214 255 HD12 ILE 34 HD12 ILE 34 5.587 2.142 0.471 256 HD13 ILE 34 HD13 ILE 34 5.675 0.393 0.749 257 H LYS 35 H LYS 35 9.688 0.647 -0.054 258 HA LYS 35 HA LYS 35 12.274 0.966 1.284 259 HB2 LYS 35 HB2 LYS 35 11.695 -0.639 -0.629 260 HB3 LYS 35 HB3 LYS 35 11.816 0.751 -1.720 261 HG2 LYS 35 HG2 LYS 35 14.165 1.092 -1.045 262 HG3 LYS 35 HG3 LYS 35 14.009 -0.159 0.203 263 HD2 LYS 35 HD2 LYS 35 13.575 -1.862 -1.593 264 HD3 LYS 35 HD3 LYS 35 13.786 -0.594 -2.805 265 HE2 LYS 35 HE2 LYS 35 15.843 -1.804 -2.688 266 HE3 LYS 35 HE3 LYS 35 16.122 -0.214 -1.970 267 HZ1 LYS 35 HZ1 LYS 35 17.088 -2.015 -0.637 268 HZ2 LYS 35 HZ2 LYS 35 15.632 -2.721 -0.437 269 HZ3 LYS 35 HZ3 LYS 35 15.937 -1.258 0.230 270 H SER 36 H SER 36 10.252 3.051 -0.727 271 HA SER 36 HA SER 36 11.612 5.381 0.292 272 HB2 SER 36 HB2 SER 36 13.087 4.644 -1.696 273 HB3 SER 36 HB3 SER 36 11.736 5.132 -2.735 274 HG SER 36 HG SER 36 13.310 6.813 -2.351 275 H GLU 37 H GLU 37 10.702 7.411 -0.706 276 HA GLU 37 HA GLU 37 7.739 7.193 -1.024 277 HB2 GLU 37 HB2 GLU 37 9.479 9.596 -0.327 278 HB3 GLU 37 HB3 GLU 37 7.733 9.612 -0.529 279 HG2 GLU 37 HG2 GLU 37 7.999 9.531 1.772 280 HG3 GLU 37 HG3 GLU 37 7.554 7.891 1.326 281 H GLY 38 H GLY 38 6.666 8.688 -2.521 282 HA2 GLY 38 HA2 GLY 38 6.336 9.700 -4.573 283 HA3 GLY 38 HA3 GLY 38 8.061 9.597 -4.949 284 H SER 39 H SER 39 6.217 8.945 -6.889 285 HA SER 39 HA SER 39 5.697 6.090 -7.083 286 HB2 SER 39 HB2 SER 39 4.520 7.803 -8.449 287 HB3 SER 39 HB3 SER 39 6.040 8.114 -9.324 288 HG SER 39 HG SER 39 4.727 6.624 -10.443 289 H CYS 40 H CYS 40 6.791 4.561 -8.287 290 HA CYS 40 HA CYS 40 9.732 4.911 -8.353 291 HB2 CYS 40 HB2 CYS 40 8.083 2.771 -7.611 292 HB3 CYS 40 HB3 CYS 40 8.806 2.249 -9.126 293 HA PRO 41 HA PRO 41 9.696 5.489 -12.739 294 HB2 PRO 41 HB2 PRO 41 12.295 5.180 -13.413 295 HB3 PRO 41 HB3 PRO 41 11.683 6.513 -12.390 296 HG2 PRO 41 HG2 PRO 41 12.958 3.908 -11.466 297 HG3 PRO 41 HG3 PRO 41 13.371 5.577 -10.954 298 HD2 PRO 41 HD2 PRO 41 11.678 3.981 -9.511 299 HD3 PRO 41 HD3 PRO 41 11.438 5.746 -9.618 300 H THR 42 H THR 42 8.337 3.756 -13.138 301 HA THR 42 HA THR 42 9.361 1.158 -14.101 302 HB THR 42 HB THR 42 6.978 0.708 -14.692 303 HG1 THR 42 HG1 THR 42 6.154 2.715 -15.088 304 HG21 THR 42 HG21 THR 42 7.833 0.156 -12.434 305 HG22 THR 42 HG22 THR 42 6.122 0.608 -12.415 306 HG23 THR 42 HG23 THR 42 7.343 1.765 -11.856 307 H GLY 43 H GLY 43 9.102 4.168 -15.498 308 HA2 GLY 43 HA2 GLY 43 8.485 3.389 -18.270 309 HA3 GLY 43 HA3 GLY 43 8.922 4.994 -17.691 310 H ILE 44 H ILE 44 10.201 1.821 -18.525 311 HA ILE 44 HA ILE 44 12.795 2.984 -19.396 312 HB ILE 44 HB ILE 44 13.070 2.019 -17.164 313 HG12 ILE 44 HG12 ILE 44 14.534 0.381 -19.275 314 HG13 ILE 44 HG13 ILE 44 14.885 2.071 -18.899 315 HG21 ILE 44 HG21 ILE 44 12.886 -0.375 -16.732 316 HG22 ILE 44 HG22 ILE 44 11.335 0.212 -17.322 317 HG23 ILE 44 HG23 ILE 44 12.408 -0.688 -18.410 318 HD11 ILE 44 HD11 ILE 44 15.391 1.432 -16.538 319 HD12 ILE 44 HD12 ILE 44 15.169 -0.279 -16.985 320 HD13 ILE 44 HD13 ILE 44 16.464 0.671 -17.730 Start of MODEL 20 1 H1 LYS 1 H1 LYS 1 -13.487 -9.936 -2.146 2 H2 LYS 1 H2 LYS 1 -13.262 -9.185 -0.714 3 H3 LYS 1 H3 LYS 1 -14.698 -9.052 -1.491 4 HA LYS 1 HA LYS 1 -12.123 -7.986 -2.459 5 HB2 LYS 1 HB2 LYS 1 -13.851 -8.804 -4.209 6 HB3 LYS 1 HB3 LYS 1 -14.855 -7.466 -3.689 7 HG2 LYS 1 HG2 LYS 1 -13.766 -6.550 -5.497 8 HG3 LYS 1 HG3 LYS 1 -12.709 -5.990 -4.198 9 HD2 LYS 1 HD2 LYS 1 -11.215 -7.992 -4.656 10 HD3 LYS 1 HD3 LYS 1 -12.257 -8.417 -6.015 11 HE2 LYS 1 HE2 LYS 1 -10.658 -5.831 -5.718 12 HE3 LYS 1 HE3 LYS 1 -10.197 -7.222 -6.699 13 HZ1 LYS 1 HZ1 LYS 1 -11.247 -5.556 -8.074 14 HZ2 LYS 1 HZ2 LYS 1 -12.595 -5.531 -7.161 15 HZ3 LYS 1 HZ3 LYS 1 -12.220 -6.862 -8.033 16 H LYS 2 H LYS 2 -11.602 -6.702 -0.732 17 HA LYS 2 HA LYS 2 -13.256 -4.297 -0.234 18 HB2 LYS 2 HB2 LYS 2 -13.676 -6.195 1.532 19 HB3 LYS 2 HB3 LYS 2 -12.038 -5.885 2.065 20 HG2 LYS 2 HG2 LYS 2 -13.466 -4.696 3.543 21 HG3 LYS 2 HG3 LYS 2 -12.703 -3.494 2.537 22 HD2 LYS 2 HD2 LYS 2 -14.813 -2.682 2.479 23 HD3 LYS 2 HD3 LYS 2 -14.968 -3.735 1.085 24 HE2 LYS 2 HE2 LYS 2 -15.791 -4.427 3.952 25 HE3 LYS 2 HE3 LYS 2 -16.878 -3.785 2.724 26 HZ1 LYS 2 HZ1 LYS 2 -17.093 -6.162 2.826 27 HZ2 LYS 2 HZ2 LYS 2 -15.505 -6.411 2.584 28 HZ3 LYS 2 HZ3 LYS 2 -16.437 -5.785 1.384 29 H VAL 3 H VAL 3 -11.950 -2.626 0.911 30 HA VAL 3 HA VAL 3 -9.015 -2.818 0.421 31 HB VAL 3 HB VAL 3 -10.014 -1.711 -1.481 32 HG11 VAL 3 HG11 VAL 3 -11.019 0.440 0.433 33 HG12 VAL 3 HG12 VAL 3 -11.069 0.503 -1.339 34 HG13 VAL 3 HG13 VAL 3 -12.035 -0.700 -0.479 35 HG21 VAL 3 HG21 VAL 3 -7.764 -1.030 -0.713 36 HG22 VAL 3 HG22 VAL 3 -8.630 0.232 -1.598 37 HG23 VAL 3 HG23 VAL 3 -8.503 0.337 0.162 38 H CYS 4 H CYS 4 -7.722 -1.542 1.680 39 HA CYS 4 HA CYS 4 -8.566 -1.159 4.417 40 HB2 CYS 4 HB2 CYS 4 -6.037 -0.168 3.047 41 HB3 CYS 4 HB3 CYS 4 -6.319 -0.330 4.779 42 H ALA 5 H ALA 5 -9.558 0.555 5.299 43 HA ALA 5 HA ALA 5 -10.298 2.911 3.872 44 HB1 ALA 5 HB1 ALA 5 -11.625 1.968 5.701 45 HB2 ALA 5 HB2 ALA 5 -10.319 2.311 6.861 46 HB3 ALA 5 HB3 ALA 5 -11.174 3.646 6.057 47 H CYS 6 H CYS 6 -8.713 4.206 3.080 48 HA CYS 6 HA CYS 6 -6.739 5.405 4.926 49 HB2 CYS 6 HB2 CYS 6 -6.413 4.419 2.066 50 HB3 CYS 6 HB3 CYS 6 -5.296 5.538 2.816 51 HA PRO 7 HA PRO 7 -8.228 9.301 3.565 52 HB2 PRO 7 HB2 PRO 7 -5.965 10.879 3.698 53 HB3 PRO 7 HB3 PRO 7 -6.854 10.235 5.118 54 HG2 PRO 7 HG2 PRO 7 -4.355 9.130 3.832 55 HG3 PRO 7 HG3 PRO 7 -4.691 9.396 5.571 56 HD2 PRO 7 HD2 PRO 7 -4.977 6.975 4.381 57 HD3 PRO 7 HD3 PRO 7 -6.110 7.489 5.658 58 H LYS 8 H LYS 8 -8.169 10.956 1.948 59 HA LYS 8 HA LYS 8 -7.640 9.938 -0.721 60 HB2 LYS 8 HB2 LYS 8 -8.644 12.672 0.187 61 HB3 LYS 8 HB3 LYS 8 -8.665 12.063 -1.475 62 HG2 LYS 8 HG2 LYS 8 -9.976 10.032 -0.439 63 HG3 LYS 8 HG3 LYS 8 -10.321 11.151 0.882 64 HD2 LYS 8 HD2 LYS 8 -10.934 11.604 -2.079 65 HD3 LYS 8 HD3 LYS 8 -12.107 11.030 -0.906 66 HE2 LYS 8 HE2 LYS 8 -10.692 13.726 -0.686 67 HE3 LYS 8 HE3 LYS 8 -12.222 13.490 -1.530 68 HZ1 LYS 8 HZ1 LYS 8 -11.798 12.942 1.357 69 HZ2 LYS 8 HZ2 LYS 8 -13.198 12.690 0.549 70 HZ3 LYS 8 HZ3 LYS 8 -12.623 14.203 0.732 71 H ILE 9 H ILE 9 -5.631 11.473 1.287 72 HA ILE 9 HA ILE 9 -4.228 13.381 -0.189 73 HB ILE 9 HB ILE 9 -3.889 13.074 2.152 74 HG12 ILE 9 HG12 ILE 9 -1.251 12.756 0.675 75 HG13 ILE 9 HG13 ILE 9 -2.179 14.253 0.824 76 HG21 ILE 9 HG21 ILE 9 -2.683 11.266 3.191 77 HG22 ILE 9 HG22 ILE 9 -3.836 10.493 2.099 78 HG23 ILE 9 HG23 ILE 9 -2.138 10.637 1.620 79 HD11 ILE 9 HD11 ILE 9 -0.849 12.716 3.095 80 HD12 ILE 9 HD12 ILE 9 -0.374 14.285 2.430 81 HD13 ILE 9 HD13 ILE 9 -1.905 14.133 3.318 82 H LEU 10 H LEU 10 -3.014 13.528 -1.660 83 HA LEU 10 HA LEU 10 -2.042 11.300 -3.343 84 HB2 LEU 10 HB2 LEU 10 -3.101 13.155 -4.460 85 HB3 LEU 10 HB3 LEU 10 -2.108 14.330 -3.595 86 HG LEU 10 HG LEU 10 -0.108 13.554 -4.763 87 HD11 LEU 10 HD11 LEU 10 -0.261 12.073 -6.724 88 HD12 LEU 10 HD12 LEU 10 -1.991 11.808 -6.409 89 HD13 LEU 10 HD13 LEU 10 -0.771 11.206 -5.272 90 HD21 LEU 10 HD21 LEU 10 -1.428 15.417 -5.674 91 HD22 LEU 10 HD22 LEU 10 -2.383 14.274 -6.646 92 HD23 LEU 10 HD23 LEU 10 -0.646 14.490 -6.965 93 H LYS 11 H LYS 11 -0.395 10.301 -2.217 94 HA LYS 11 HA LYS 11 2.178 11.626 -2.429 95 HB2 LYS 11 HB2 LYS 11 1.248 12.324 -0.084 96 HB3 LYS 11 HB3 LYS 11 1.554 10.672 0.392 97 HG2 LYS 11 HG2 LYS 11 3.539 11.772 1.005 98 HG3 LYS 11 HG3 LYS 11 3.972 11.057 -0.541 99 HD2 LYS 11 HD2 LYS 11 4.812 13.268 -0.674 100 HD3 LYS 11 HD3 LYS 11 3.333 13.316 -1.619 101 HE2 LYS 11 HE2 LYS 11 3.246 15.276 -0.340 102 HE3 LYS 11 HE3 LYS 11 2.145 14.179 0.492 103 HZ1 LYS 11 HZ1 LYS 11 3.626 15.301 2.056 104 HZ2 LYS 11 HZ2 LYS 11 4.956 14.754 1.290 105 HZ3 LYS 11 HZ3 LYS 11 3.976 13.708 2.077 106 HA PRO 12 HA PRO 12 1.994 7.055 -3.134 107 HB2 PRO 12 HB2 PRO 12 3.329 6.968 -5.558 108 HB3 PRO 12 HB3 PRO 12 1.568 7.232 -5.373 109 HG2 PRO 12 HG2 PRO 12 3.740 9.296 -5.744 110 HG3 PRO 12 HG3 PRO 12 2.164 9.163 -6.590 111 HD2 PRO 12 HD2 PRO 12 2.509 10.858 -4.481 112 HD3 PRO 12 HD3 PRO 12 0.982 9.946 -4.685 113 H VAL 13 H VAL 13 3.739 5.486 -3.529 114 HA VAL 13 HA VAL 13 6.461 6.209 -2.631 115 HB VAL 13 HB VAL 13 6.382 4.523 -0.817 116 HG11 VAL 13 HG11 VAL 13 6.083 6.940 -0.314 117 HG12 VAL 13 HG12 VAL 13 4.321 6.703 -0.343 118 HG13 VAL 13 HG13 VAL 13 5.315 5.867 0.866 119 HG21 VAL 13 HG21 VAL 13 3.371 4.475 -1.322 120 HG22 VAL 13 HG22 VAL 13 4.515 3.115 -1.404 121 HG23 VAL 13 HG23 VAL 13 4.141 3.872 0.144 122 H CYS 14 H CYS 14 7.985 4.596 -3.076 123 HA CYS 14 HA CYS 14 7.100 2.518 -5.033 124 HB2 CYS 14 HB2 CYS 14 8.996 3.898 -5.706 125 HB3 CYS 14 HB3 CYS 14 9.897 3.427 -4.257 126 H GLY 15 H GLY 15 6.538 0.609 -4.231 127 HA2 GLY 15 HA2 GLY 15 7.143 -0.359 -1.571 128 HA3 GLY 15 HA3 GLY 15 6.407 -1.268 -2.890 129 H SER 16 H SER 16 8.167 -2.417 -1.102 130 HA SER 16 HA SER 16 10.834 -2.719 -2.055 131 HB2 SER 16 HB2 SER 16 9.896 -3.468 0.155 132 HB3 SER 16 HB3 SER 16 9.116 -4.819 -0.684 133 HG SER 16 HG SER 16 11.913 -4.271 -0.451 134 H ASP 17 H ASP 17 7.868 -4.131 -3.278 135 HA ASP 17 HA ASP 17 9.110 -6.118 -5.026 136 HB2 ASP 17 HB2 ASP 17 6.805 -6.289 -4.096 137 HB3 ASP 17 HB3 ASP 17 6.328 -4.880 -5.043 138 H GLY 18 H GLY 18 8.418 -2.706 -5.270 139 HA2 GLY 18 HA2 GLY 18 9.589 -1.304 -6.819 140 HA3 GLY 18 HA3 GLY 18 9.490 -2.565 -8.053 141 H ARG 19 H ARG 19 6.568 -2.702 -6.824 142 HA ARG 19 HA ARG 19 5.164 -1.056 -8.757 143 HB2 ARG 19 HB2 ARG 19 4.527 -3.299 -7.435 144 HB3 ARG 19 HB3 ARG 19 3.982 -2.188 -6.202 145 HG2 ARG 19 HG2 ARG 19 2.048 -2.725 -7.480 146 HG3 ARG 19 HG3 ARG 19 2.486 -1.107 -8.003 147 HD2 ARG 19 HD2 ARG 19 1.924 -2.342 -9.965 148 HD3 ARG 19 HD3 ARG 19 3.682 -2.150 -9.990 149 HE ARG 19 HE ARG 19 2.871 -4.630 -8.706 150 HH11 ARG 19 HH11 ARG 19 3.352 -3.290 -11.907 151 HH12 ARG 19 HH12 ARG 19 3.593 -4.859 -12.617 152 HH21 ARG 19 HH21 ARG 19 3.179 -6.582 -9.663 153 HH22 ARG 19 HH22 ARG 19 3.474 -6.680 -11.373 154 H THR 20 H THR 20 3.689 0.609 -8.197 155 HA THR 20 HA THR 20 4.259 2.174 -5.698 156 HB THR 20 HB THR 20 4.823 3.446 -7.731 157 HG1 THR 20 HG1 THR 20 2.568 4.629 -6.551 158 HG21 THR 20 HG21 THR 20 2.943 4.474 -9.023 159 HG22 THR 20 HG22 THR 20 1.826 3.317 -8.309 160 HG23 THR 20 HG23 THR 20 3.156 2.740 -9.346 161 H TYR 21 H TYR 21 2.526 3.096 -4.579 162 HA TYR 21 HA TYR 21 -0.238 2.257 -5.224 163 HB2 TYR 21 HB2 TYR 21 0.582 2.270 -2.354 164 HB3 TYR 21 HB3 TYR 21 -0.598 1.289 -3.216 165 HD1 TYR 21 HD1 TYR 21 0.058 -0.880 -4.231 166 HD2 TYR 21 HD2 TYR 21 2.940 1.660 -2.279 167 HE1 TYR 21 HE1 TYR 21 1.739 -2.718 -4.313 168 HE2 TYR 21 HE2 TYR 21 4.594 -0.179 -2.313 169 HH TYR 21 HH TYR 21 3.896 -3.343 -3.854 170 H ALA 22 H ALA 22 -1.813 3.571 -3.754 171 HA ALA 22 HA ALA 22 -1.575 6.269 -4.464 172 HB1 ALA 22 HB1 ALA 22 -3.305 5.060 -2.257 173 HB2 ALA 22 HB2 ALA 22 -3.581 6.598 -3.092 174 HB3 ALA 22 HB3 ALA 22 -3.699 5.076 -3.993 175 H ASN 23 H ASN 23 -0.926 4.881 -1.222 176 HA ASN 23 HA ASN 23 1.048 6.876 -0.666 177 HB2 ASN 23 HB2 ASN 23 0.020 7.936 1.252 178 HB3 ASN 23 HB3 ASN 23 -1.062 8.138 -0.108 179 HD21 ASN 23 HD21 ASN 23 -2.043 8.531 2.386 180 HD22 ASN 23 HD22 ASN 23 -3.143 7.210 2.760 181 H SER 24 H SER 24 1.597 6.653 1.885 182 HA SER 24 HA SER 24 2.670 4.063 2.277 183 HB2 SER 24 HB2 SER 24 3.103 4.935 4.614 184 HB3 SER 24 HB3 SER 24 3.696 5.959 3.292 185 HG SER 24 HG SER 24 2.600 7.234 4.812 186 H CYS 25 H CYS 25 -0.408 5.411 3.384 187 HA CYS 25 HA CYS 25 -1.063 3.414 5.324 188 HB2 CYS 25 HB2 CYS 25 -2.156 5.583 5.248 189 HB3 CYS 25 HB3 CYS 25 -2.800 5.256 3.643 190 H ILE 26 H ILE 26 -1.773 3.557 1.795 191 HA ILE 26 HA ILE 26 -3.263 1.042 1.936 192 HB ILE 26 HB ILE 26 -3.532 3.015 0.286 193 HG12 ILE 26 HG12 ILE 26 -3.811 0.873 -1.565 194 HG13 ILE 26 HG13 ILE 26 -3.957 0.110 0.013 195 HG21 ILE 26 HG21 ILE 26 -2.557 2.796 -1.880 196 HG22 ILE 26 HG22 ILE 26 -1.404 3.248 -0.627 197 HG23 ILE 26 HG23 ILE 26 -1.431 1.572 -1.248 198 HD11 ILE 26 HD11 ILE 26 -6.141 0.830 -0.886 199 HD12 ILE 26 HD12 ILE 26 -5.767 1.679 0.633 200 HD13 ILE 26 HD13 ILE 26 -5.586 2.511 -0.934 201 H ALA 27 H ALA 27 -0.085 2.116 0.967 202 HA ALA 27 HA ALA 27 0.993 -0.225 -0.059 203 HB1 ALA 27 HB1 ALA 27 2.077 2.003 -0.143 204 HB2 ALA 27 HB2 ALA 27 2.498 1.860 1.574 205 HB3 ALA 27 HB3 ALA 27 3.196 0.736 0.394 206 H ARG 28 H ARG 28 1.211 0.824 3.355 207 HA ARG 28 HA ARG 28 2.549 -1.506 4.373 208 HB2 ARG 28 HB2 ARG 28 2.012 -0.701 6.552 209 HB3 ARG 28 HB3 ARG 28 2.330 0.686 5.500 210 HG2 ARG 28 HG2 ARG 28 -0.033 1.185 5.358 211 HG3 ARG 28 HG3 ARG 28 -0.443 -0.230 6.340 212 HD2 ARG 28 HD2 ARG 28 0.667 0.707 8.280 213 HD3 ARG 28 HD3 ARG 28 1.379 1.996 7.308 214 HE ARG 28 HE ARG 28 -0.490 3.238 7.588 215 HH11 ARG 28 HH11 ARG 28 -1.552 -0.041 8.215 216 HH12 ARG 28 HH12 ARG 28 -3.177 0.462 8.591 217 HH21 ARG 28 HH21 ARG 28 -2.570 3.810 8.126 218 HH22 ARG 28 HH22 ARG 28 -3.721 2.580 8.537 219 H CYS 29 H CYS 29 -0.733 -0.940 3.713 220 HA CYS 29 HA CYS 29 -1.759 -3.221 5.296 221 HB2 CYS 29 HB2 CYS 29 -2.767 -0.901 5.119 222 HB3 CYS 29 HB3 CYS 29 -3.310 -1.332 3.500 223 H ASN 30 H ASN 30 -0.904 -2.571 2.014 224 HA ASN 30 HA ASN 30 -2.154 -4.819 0.705 225 HB2 ASN 30 HB2 ASN 30 -0.209 -2.635 0.085 226 HB3 ASN 30 HB3 ASN 30 0.087 -4.109 -0.776 227 HD21 ASN 30 HD21 ASN 30 -2.391 -1.682 -0.080 228 HD22 ASN 30 HD22 ASN 30 -3.329 -2.002 -1.551 229 H GLY 31 H GLY 31 0.264 -4.898 3.059 230 HA2 GLY 31 HA2 GLY 31 1.290 -6.852 3.882 231 HA3 GLY 31 HA3 GLY 31 0.994 -7.681 2.360 232 H VAL 32 H VAL 32 2.441 -4.583 1.992 233 HA VAL 32 HA VAL 32 5.201 -5.650 1.646 234 HB VAL 32 HB VAL 32 4.929 -3.526 -0.120 235 HG11 VAL 32 HG11 VAL 32 4.654 -6.497 -0.713 236 HG12 VAL 32 HG12 VAL 32 5.144 -5.240 -1.871 237 HG13 VAL 32 HG13 VAL 32 6.183 -5.618 -0.489 238 HG21 VAL 32 HG21 VAL 32 2.476 -3.520 -0.033 239 HG22 VAL 32 HG22 VAL 32 3.077 -4.005 -1.617 240 HG23 VAL 32 HG23 VAL 32 2.450 -5.237 -0.525 241 H SER 33 H SER 33 6.808 -3.853 1.541 242 HA SER 33 HA SER 33 6.152 -1.582 3.377 243 HB2 SER 33 HB2 SER 33 7.626 -3.333 4.433 244 HB3 SER 33 HB3 SER 33 8.848 -2.964 3.203 245 HG SER 33 HG SER 33 7.890 -1.422 5.366 246 H ILE 34 H ILE 34 7.798 0.167 3.094 247 HA ILE 34 HA ILE 34 7.930 0.810 0.174 248 HB ILE 34 HB ILE 34 7.578 3.021 0.567 249 HG12 ILE 34 HG12 ILE 34 7.271 3.849 3.100 250 HG13 ILE 34 HG13 ILE 34 8.493 2.622 3.402 251 HG21 ILE 34 HG21 ILE 34 5.817 1.669 2.651 252 HG22 ILE 34 HG22 ILE 34 5.487 3.173 1.799 253 HG23 ILE 34 HG23 ILE 34 5.554 1.650 0.890 254 HD11 ILE 34 HD11 ILE 34 9.440 4.900 3.014 255 HD12 ILE 34 HD12 ILE 34 10.000 3.788 1.756 256 HD13 ILE 34 HD13 ILE 34 8.700 4.941 1.401 257 H LYS 35 H LYS 35 9.774 1.365 -0.838 258 HA LYS 35 HA LYS 35 12.343 1.286 0.665 259 HB2 LYS 35 HB2 LYS 35 11.426 0.736 -2.180 260 HB3 LYS 35 HB3 LYS 35 13.087 1.189 -1.887 261 HG2 LYS 35 HG2 LYS 35 11.689 -1.147 -0.531 262 HG3 LYS 35 HG3 LYS 35 12.699 -1.283 -1.967 263 HD2 LYS 35 HD2 LYS 35 14.191 0.137 0.104 264 HD3 LYS 35 HD3 LYS 35 13.478 -1.311 0.790 265 HE2 LYS 35 HE2 LYS 35 15.641 -1.919 0.031 266 HE3 LYS 35 HE3 LYS 35 14.498 -2.647 -1.099 267 HZ1 LYS 35 HZ1 LYS 35 16.356 -1.567 -2.247 268 HZ2 LYS 35 HZ2 LYS 35 16.013 -0.126 -1.570 269 HZ3 LYS 35 HZ3 LYS 35 14.973 -0.799 -2.640 270 H SER 36 H SER 36 10.358 3.396 -1.307 271 HA SER 36 HA SER 36 11.977 5.723 -0.541 272 HB2 SER 36 HB2 SER 36 13.075 4.718 -2.622 273 HB3 SER 36 HB3 SER 36 11.595 5.132 -3.499 274 HG SER 36 HG SER 36 13.346 6.931 -2.122 275 H GLU 37 H GLU 37 11.058 7.721 -1.384 276 HA GLU 37 HA GLU 37 8.082 7.732 -1.303 277 HB2 GLU 37 HB2 GLU 37 8.293 10.156 -1.040 278 HB3 GLU 37 HB3 GLU 37 9.076 9.256 0.243 279 HG2 GLU 37 HG2 GLU 37 10.702 10.321 -2.098 280 HG3 GLU 37 HG3 GLU 37 10.206 11.376 -0.790 281 H GLY 38 H GLY 38 6.772 8.764 -2.837 282 HA2 GLY 38 HA2 GLY 38 6.126 9.563 -4.905 283 HA3 GLY 38 HA3 GLY 38 7.806 9.614 -5.457 284 H SER 39 H SER 39 5.918 8.606 -7.141 285 HA SER 39 HA SER 39 5.687 5.716 -7.089 286 HB2 SER 39 HB2 SER 39 4.234 7.122 -8.489 287 HB3 SER 39 HB3 SER 39 5.654 7.647 -9.429 288 HG SER 39 HG SER 39 4.545 5.939 -10.461 289 H CYS 40 H CYS 40 6.831 4.206 -8.318 290 HA CYS 40 HA CYS 40 9.727 4.742 -8.569 291 HB2 CYS 40 HB2 CYS 40 8.135 2.429 -7.962 292 HB3 CYS 40 HB3 CYS 40 9.000 2.097 -9.445 293 HA PRO 41 HA PRO 41 9.439 5.385 -12.988 294 HB2 PRO 41 HB2 PRO 41 11.961 4.692 -13.828 295 HB3 PRO 41 HB3 PRO 41 11.598 6.189 -12.916 296 HG2 PRO 41 HG2 PRO 41 12.628 3.551 -11.829 297 HG3 PRO 41 HG3 PRO 41 13.245 5.202 -11.499 298 HD2 PRO 41 HD2 PRO 41 11.535 3.936 -9.792 299 HD3 PRO 41 HD3 PRO 41 11.417 5.695 -10.075 300 H THR 42 H THR 42 9.144 4.237 -14.909 301 HA THR 42 HA THR 42 8.328 2.513 -16.162 302 HB THR 42 HB THR 42 10.518 0.741 -15.071 303 HG1 THR 42 HG1 THR 42 10.801 2.880 -16.923 304 HG21 THR 42 HG21 THR 42 10.783 0.139 -17.464 305 HG22 THR 42 HG22 THR 42 9.453 1.233 -17.899 306 HG23 THR 42 HG23 THR 42 9.144 -0.212 -16.917 307 H GLY 43 H GLY 43 7.142 2.754 -13.527 308 HA2 GLY 43 HA2 GLY 43 6.695 0.298 -12.202 309 HA3 GLY 43 HA3 GLY 43 5.670 1.723 -12.092 310 H ILE 44 H ILE 44 4.295 2.027 -14.130 311 HA ILE 44 HA ILE 44 2.152 1.446 -14.739 312 HB ILE 44 HB ILE 44 3.635 -0.328 -16.647 313 HG12 ILE 44 HG12 ILE 44 3.465 1.803 -18.141 314 HG13 ILE 44 HG13 ILE 44 3.313 2.708 -16.643 315 HG21 ILE 44 HG21 ILE 44 1.055 1.302 -16.891 316 HG22 ILE 44 HG22 ILE 44 1.775 0.297 -18.166 317 HG23 ILE 44 HG23 ILE 44 1.135 -0.462 -16.717 318 HD11 ILE 44 HD11 ILE 44 5.585 2.092 -16.017 319 HD12 ILE 44 HD12 ILE 44 5.663 0.867 -17.307 320 HD13 ILE 44 HD13 ILE 44 5.615 2.595 -17.703
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