NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
645441 | 6px8 | 30648 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -6.550 -3.468 8.588 2 H2 GLY 1 2HT GLY 1 -7.918 -4.337 8.130 3 H3 GLY 1 3HT GLY 1 -8.017 -3.154 9.332 4 HA2 GLY 1 1HA GLY 1 -8.917 -2.324 7.264 5 HA3 GLY 1 2HA GLY 1 -7.493 -1.433 7.779 6 H ILE 2 H ILE 2 -5.541 -1.724 6.687 7 HA ILE 2 HA ILE 2 -5.898 -2.218 3.937 8 HB ILE 2 HB ILE 2 -3.361 -1.901 3.813 9 HG12 ILE 2 2HG1 ILE 2 -3.817 -1.134 6.711 10 HG13 ILE 2 1HG1 ILE 2 -2.815 -2.460 6.134 11 HG21 ILE 2 1HG2 ILE 2 -5.138 0.257 4.903 12 HG22 ILE 2 2HG2 ILE 2 -4.914 -0.181 3.208 13 HG23 ILE 2 3HG2 ILE 2 -3.585 0.534 4.119 14 HD11 ILE 2 1HD1 ILE 2 -1.465 -0.583 6.840 15 HD12 ILE 2 2HD1 ILE 2 -2.318 0.476 5.717 16 HD13 ILE 2 3HD1 ILE 2 -1.304 -0.828 5.100 17 H THR 3 H THR 3 -5.794 -3.932 2.865 18 HA THR 3 HA THR 3 -4.634 -6.361 4.027 19 HB THR 3 HB THR 3 -7.133 -6.076 2.380 20 HG1 THR 3 1HG THR 3 -7.610 -5.160 4.336 21 HG21 THR 3 1HG2 THR 3 -6.093 -8.403 4.035 22 HG22 THR 3 2HG2 THR 3 -6.089 -8.310 2.276 23 HG23 THR 3 3HG2 THR 3 -7.618 -8.390 3.149 24 H CYS 4 H CYS 4 -3.806 -7.785 2.410 25 HA CYS 4 HA CYS 4 -3.495 -6.565 -0.231 26 HB2 CYS 4 2HB CYS 4 -1.536 -8.307 1.240 27 HB3 CYS 4 1HB CYS 4 -1.316 -7.654 -0.380 28 H ASP 5 H ASP 5 -5.019 -7.601 -1.336 29 HA ASP 5 HA ASP 5 -5.135 -10.531 -1.246 30 HB2 ASP 5 2HB ASP 5 -7.271 -9.177 -1.400 31 HB3 ASP 5 1HB ASP 5 -6.722 -8.604 -2.976 32 H LEU 6 H LEU 6 -4.237 -7.771 -3.135 33 HA LEU 6 HA LEU 6 -2.997 -9.444 -5.139 34 HB2 LEU 6 2HB LEU 6 -3.531 -6.473 -5.026 35 HB3 LEU 6 1HB LEU 6 -2.878 -7.339 -6.396 36 HG LEU 6 HG LEU 6 -5.678 -7.545 -5.296 37 HD11 LEU 6 1HD1 LEU 6 -6.324 -6.558 -7.420 38 HD12 LEU 6 2HD1 LEU 6 -4.625 -6.426 -7.876 39 HD13 LEU 6 3HD1 LEU 6 -5.247 -5.495 -6.514 40 HD21 LEU 6 1HD2 LEU 6 -4.977 -9.694 -6.126 41 HD22 LEU 6 2HD2 LEU 6 -4.392 -8.958 -7.617 42 HD23 LEU 6 3HD2 LEU 6 -6.122 -8.963 -7.254 43 H ILE 7 H ILE 7 -0.828 -9.071 -5.435 44 HA ILE 7 HA ILE 7 0.514 -7.708 -3.224 45 HB ILE 7 HB ILE 7 1.583 -9.928 -5.002 46 HG12 ILE 7 2HG1 ILE 7 0.803 -9.915 -2.076 47 HG13 ILE 7 1HG1 ILE 7 -0.062 -10.722 -3.374 48 HG21 ILE 7 1HG2 ILE 7 3.545 -9.920 -3.519 49 HG22 ILE 7 2HG2 ILE 7 2.888 -8.523 -2.666 50 HG23 ILE 7 3HG2 ILE 7 3.357 -8.381 -4.361 51 HD11 ILE 7 1HD1 ILE 7 2.709 -11.369 -2.425 52 HD12 ILE 7 2HD1 ILE 7 1.851 -12.188 -3.731 53 HD13 ILE 7 3HD1 ILE 7 1.249 -12.298 -2.073 54 H GLY 8 H GLY 8 1.205 -5.834 -3.760 55 HA2 GLY 8 2HA GLY 8 2.477 -4.226 -4.929 56 HA3 GLY 8 1HA GLY 8 2.716 -5.403 -6.212 57 H ASN 9 H ASN 9 0.020 -5.998 -6.666 58 HA ASN 9 HA ASN 9 -0.723 -3.712 -8.357 59 HB2 ASN 9 2HB ASN 9 -1.946 -6.473 -8.117 60 HB3 ASN 9 1HB ASN 9 -2.448 -5.265 -9.284 61 HD21 ASN 9 1HD2 ASN 9 -0.056 -7.634 -8.471 62 HD22 ASN 9 2HD2 ASN 9 0.823 -7.562 -9.944 63 H GLU 10 H GLU 10 -1.074 -4.206 -5.396 64 HA GLU 10 HA GLU 10 -3.895 -4.197 -4.961 65 HB2 GLU 10 2HB GLU 10 -2.362 -5.529 -3.624 66 HB3 GLU 10 1HB GLU 10 -1.542 -4.099 -3.072 67 HG2 GLU 10 2HG GLU 10 -2.991 -4.973 -1.423 68 HG3 GLU 10 1HG GLU 10 -3.560 -3.386 -1.967 69 H ARG 11 H ARG 11 -4.000 -2.217 -6.192 70 HA ARG 11 HA ARG 11 -2.970 0.293 -5.428 71 HB2 ARG 11 2HB ARG 11 -3.975 -0.146 -7.638 72 HB3 ARG 11 1HB ARG 11 -5.561 -0.232 -6.886 73 HG2 ARG 11 2HG ARG 11 -5.368 2.110 -6.198 74 HG3 ARG 11 1HG ARG 11 -3.774 2.197 -6.947 75 HD2 ARG 11 2HD ARG 11 -6.377 1.629 -8.357 76 HD3 ARG 11 1HD ARG 11 -5.479 3.145 -8.399 77 HE ARG 11 HE ARG 11 -3.689 1.294 -9.225 78 HH11 ARG 11 1HH1 ARG 11 -6.917 2.212 -10.340 79 HH12 ARG 11 2HH1 ARG 11 -6.599 1.859 -11.977 80 HH21 ARG 11 1HH2 ARG 11 -3.283 0.743 -11.476 81 HH22 ARG 11 2HH2 ARG 11 -4.494 0.982 -12.632 82 H LEU 12 H LEU 12 -5.757 -1.463 -4.316 83 HA LEU 12 HA LEU 12 -7.023 0.654 -2.951 84 HB2 LEU 12 2HB LEU 12 -7.098 -2.311 -2.411 85 HB3 LEU 12 1HB LEU 12 -8.172 -1.144 -1.663 86 HG LEU 12 HG LEU 12 -8.050 -1.832 -4.603 87 HD11 LEU 12 1HD1 LEU 12 -9.024 -3.598 -3.265 88 HD12 LEU 12 2HD1 LEU 12 -10.258 -2.791 -4.232 89 HD13 LEU 12 3HD1 LEU 12 -10.121 -2.443 -2.509 90 HD21 LEU 12 1HD2 LEU 12 -10.051 -0.431 -4.806 91 HD22 LEU 12 2HD2 LEU 12 -8.652 0.506 -4.295 92 HD23 LEU 12 3HD2 LEU 12 -9.885 0.051 -3.117 93 H CYS 13 H CYS 13 -4.248 -1.273 -2.191 94 HA CYS 13 HA CYS 13 -4.237 -0.243 0.503 95 HB2 CYS 13 2HB CYS 13 -3.415 -2.504 0.280 96 HB3 CYS 13 1HB CYS 13 -2.283 -2.015 -0.986 97 H VAL 14 H VAL 14 -2.431 0.120 -2.518 98 HA VAL 14 HA VAL 14 -0.434 1.904 -1.800 99 HB VAL 14 HB VAL 14 -1.984 2.016 -4.393 100 HG11 VAL 14 1HG1 VAL 14 0.109 2.864 -5.377 101 HG12 VAL 14 2HG1 VAL 14 0.842 2.867 -3.774 102 HG13 VAL 14 3HG1 VAL 14 -0.523 3.929 -4.120 103 HG21 VAL 14 1HG2 VAL 14 -1.217 -0.266 -3.961 104 HG22 VAL 14 2HG2 VAL 14 0.433 0.324 -3.732 105 HG23 VAL 14 3HG2 VAL 14 -0.348 0.456 -5.311 106 H VAL 15 H VAL 15 -3.775 2.657 -2.701 107 HA VAL 15 HA VAL 15 -3.572 5.436 -2.770 108 HB VAL 15 HB VAL 15 -5.505 4.208 -3.662 109 HG11 VAL 15 1HG1 VAL 15 -7.293 3.431 -2.202 110 HG12 VAL 15 2HG1 VAL 15 -6.260 3.752 -0.806 111 HG13 VAL 15 3HG1 VAL 15 -5.790 2.533 -1.989 112 HG21 VAL 15 1HG2 VAL 15 -7.305 5.716 -2.915 113 HG22 VAL 15 2HG2 VAL 15 -5.803 6.576 -3.245 114 HG23 VAL 15 3HG2 VAL 15 -6.282 6.247 -1.581 115 H HIS 16 H HIS 16 -3.868 3.292 -0.030 116 HA HIS 16 HA HIS 16 -4.624 5.256 1.880 117 HB2 HIS 16 2HB HIS 16 -4.991 2.948 2.449 118 HB3 HIS 16 1HB HIS 16 -3.318 2.537 2.125 119 HD1 HIS 16 1HD HIS 16 -5.234 4.713 4.631 120 HD2 HIS 16 2HD HIS 16 -1.817 2.393 4.279 121 HE1 HIS 16 1HE HIS 16 -4.085 4.786 6.909 122 H CYS 17 H CYS 17 -1.595 3.989 0.754 123 HA CYS 17 HA CYS 17 0.086 5.447 2.506 124 HB2 CYS 17 2HB CYS 17 0.690 4.444 -0.279 125 HB3 CYS 17 1HB CYS 17 1.861 4.830 0.977 126 H LEU 18 H LEU 18 -1.206 6.088 -0.722 127 HA LEU 18 HA LEU 18 0.156 8.549 -1.104 128 HB2 LEU 18 2HB LEU 18 -2.378 7.498 -2.357 129 HB3 LEU 18 1HB LEU 18 -1.500 8.905 -2.914 130 HG LEU 18 HG LEU 18 -0.416 6.085 -2.902 131 HD11 LEU 18 1HD1 LEU 18 -0.660 6.214 -5.335 132 HD12 LEU 18 2HD1 LEU 18 -1.458 7.779 -5.165 133 HD13 LEU 18 3HD1 LEU 18 -2.213 6.326 -4.510 134 HD21 LEU 18 1HD2 LEU 18 0.688 8.643 -4.058 135 HD22 LEU 18 2HD2 LEU 18 1.369 7.036 -4.293 136 HD23 LEU 18 3HD2 LEU 18 1.345 7.753 -2.683 137 H ALA 19 H ALA 19 -2.925 7.694 0.350 138 HA ALA 19 HA ALA 19 -3.948 10.307 0.593 139 HB1 ALA 19 1HB ALA 19 -4.498 7.871 2.283 140 HB2 ALA 19 2HB ALA 19 -5.352 8.317 0.805 141 HB3 ALA 19 3HB ALA 19 -5.474 9.338 2.242 142 H LYS 20 H LYS 20 -1.985 8.289 2.700 143 HA LYS 20 HA LYS 20 -1.848 10.167 4.828 144 HB2 LYS 20 2HB LYS 20 0.011 7.919 4.091 145 HB3 LYS 20 1HB LYS 20 0.133 8.849 5.578 146 HG2 LYS 20 2HG LYS 20 -2.110 8.104 6.217 147 HG3 LYS 20 1HG LYS 20 -2.205 7.157 4.734 148 HD2 LYS 20 2HD LYS 20 -0.074 6.804 6.816 149 HD3 LYS 20 1HD LYS 20 -1.558 5.836 6.770 150 HE2 LYS 20 2HE LYS 20 -0.884 5.126 4.482 151 HE3 LYS 20 1HE LYS 20 0.630 5.999 4.710 152 HZ1 LYS 20 1HZ LYS 20 -0.351 3.729 6.335 153 HZ2 LYS 20 2HZ LYS 20 1.074 4.543 6.646 154 HZ3 LYS 20 3HZ LYS 20 0.918 3.645 5.252 155 H GLY 21 H GLY 21 0.040 9.690 1.935 156 HA2 GLY 21 2HA GLY 21 0.955 11.822 1.039 157 HA3 GLY 21 1HA GLY 21 1.531 12.132 2.671 158 H PHE 22 H PHE 22 1.710 8.924 1.600 159 HA PHE 22 HA PHE 22 4.570 9.003 1.589 160 HB2 PHE 22 2HB PHE 22 2.478 6.929 1.680 161 HB3 PHE 22 1HB PHE 22 3.957 6.414 0.859 162 HD1 PHE 22 1HD PHE 22 6.045 6.577 2.056 163 HD2 PHE 22 2HD PHE 22 2.310 7.083 3.969 164 HE1 PHE 22 1HE PHE 22 7.101 6.077 4.127 165 HE2 PHE 22 2HE PHE 22 3.358 6.573 6.138 166 HZ PHE 22 HZ PHE 22 5.768 6.069 6.248 167 H ARG 23 H ARG 23 5.834 8.172 -0.165 168 HA ARG 23 HA ARG 23 5.241 9.178 -2.720 169 HB2 ARG 23 2HB ARG 23 7.106 6.911 -1.989 170 HB3 ARG 23 1HB ARG 23 7.110 7.777 -3.514 171 HG2 ARG 23 2HG ARG 23 7.806 9.798 -2.409 172 HG3 ARG 23 1HG ARG 23 7.694 9.016 -0.834 173 HD2 ARG 23 2HD ARG 23 9.384 7.369 -1.597 174 HD3 ARG 23 1HD ARG 23 9.562 8.300 -3.083 175 HE ARG 23 HE ARG 23 9.916 10.060 -1.012 176 HH11 ARG 23 1HH1 ARG 23 11.515 7.169 -2.239 177 HH12 ARG 23 2HH1 ARG 23 13.054 7.522 -1.607 178 HH21 ARG 23 1HH2 ARG 23 12.039 10.604 -0.112 179 HH22 ARG 23 2HH2 ARG 23 13.345 9.537 -0.329 180 H GLY 24 H GLY 24 4.535 6.184 -1.133 181 HA2 GLY 24 2HA GLY 24 2.385 5.455 -2.594 182 HA3 GLY 24 1HA GLY 24 3.751 4.796 -3.493 183 H GLY 25 H GLY 25 2.520 2.804 -2.855 184 HA2 GLY 25 2HA GLY 25 3.728 1.754 -0.480 185 HA3 GLY 25 1HA GLY 25 1.964 1.791 -0.508 186 H TRP 26 H TRP 26 3.267 -0.568 -0.322 187 HA TRP 26 HA TRP 26 2.343 -1.874 -2.687 188 HB2 TRP 26 2HB TRP 26 4.413 -2.863 -3.384 189 HB3 TRP 26 1HB TRP 26 4.696 -1.133 -3.279 190 HD1 TRP 26 HD TRP 26 6.154 -4.351 -2.274 191 HE1 TRP 26 1HE TRP 26 8.037 -4.059 -0.567 192 HE3 TRP 26 3HE TRP 26 5.324 0.507 -0.981 193 HZ2 TRP 26 2HZ TRP 26 9.042 -2.037 1.140 194 HZ3 TRP 26 3HZ TRP 26 6.759 1.555 0.709 195 HH2 TRP 26 HH TRP 26 8.607 0.290 1.749 196 H CYS 27 H CYS 27 2.127 -4.066 -2.314 197 HA CYS 27 HA CYS 27 2.413 -4.871 0.461 198 HB2 CYS 27 2HB CYS 27 0.990 -6.150 -1.868 199 HB3 CYS 27 1HB CYS 27 1.076 -6.847 -0.251 200 H ASP 28 H ASP 28 3.939 -6.227 1.042 201 HA ASP 28 HA ASP 28 5.816 -6.960 -1.072 202 HB2 ASP 28 2HB ASP 28 7.469 -7.283 0.601 203 HB3 ASP 28 1HB ASP 28 6.585 -5.843 1.077 204 H SER 29 H SER 29 7.029 -9.171 -0.287 205 HA SER 29 HA SER 29 5.384 -11.243 -1.063 206 HB2 SER 29 2HB SER 29 7.961 -11.351 0.488 207 HB3 SER 29 1HB SER 29 7.258 -12.674 -0.448 208 HG SER 29 HG SER 29 7.488 -11.495 -2.285 209 H ARG 30 H ARG 30 5.882 -9.935 2.161 210 HA ARG 30 HA ARG 30 4.846 -12.238 3.525 211 HB2 ARG 30 2HB ARG 30 5.354 -9.414 4.413 212 HB3 ARG 30 1HB ARG 30 4.771 -10.685 5.472 213 HG2 ARG 30 2HG ARG 30 6.801 -11.934 5.156 214 HG3 ARG 30 1HG ARG 30 7.371 -10.753 3.972 215 HD2 ARG 30 2HD ARG 30 8.367 -10.428 6.206 216 HD3 ARG 30 1HD ARG 30 7.441 -9.032 5.657 217 HE ARG 30 HE ARG 30 5.676 -10.532 7.112 218 HH11 ARG 30 1HH1 ARG 30 8.791 -9.043 7.789 219 HH12 ARG 30 2HH1 ARG 30 8.452 -8.745 9.423 220 HH21 ARG 30 1HH2 ARG 30 5.185 -10.122 9.319 221 HH22 ARG 30 2HH2 ARG 30 6.311 -9.351 10.330 222 H LYS 31 H LYS 31 3.366 -10.079 1.541 223 HA LYS 31 HA LYS 31 1.216 -9.587 1.068 224 HB2 LYS 31 2HB LYS 31 0.684 -11.550 3.299 225 HB3 LYS 31 1HB LYS 31 -0.606 -10.794 2.367 226 HG2 LYS 31 2HG LYS 31 1.519 -12.112 0.809 227 HG3 LYS 31 1HG LYS 31 0.509 -13.184 1.781 228 HD2 LYS 31 2HD LYS 31 -0.610 -11.113 -0.098 229 HD3 LYS 31 1HD LYS 31 -0.273 -12.779 -0.582 230 HE2 LYS 31 2HE LYS 31 -1.762 -13.591 1.178 231 HE3 LYS 31 1HE LYS 31 -2.107 -11.940 1.667 232 HZ1 LYS 31 1HZ LYS 31 -2.718 -13.046 -1.011 233 HZ2 LYS 31 2HZ LYS 31 -3.215 -11.536 -0.363 234 HZ3 LYS 31 3HZ LYS 31 -3.791 -12.977 0.281 235 H VAL 32 H VAL 32 2.878 -8.207 3.082 236 HA VAL 32 HA VAL 32 0.837 -6.907 4.732 237 HB VAL 32 HB VAL 32 3.867 -6.760 4.908 238 HG11 VAL 32 1HG1 VAL 32 3.511 -5.698 7.090 239 HG12 VAL 32 2HG1 VAL 32 1.769 -5.729 6.818 240 HG13 VAL 32 3HG1 VAL 32 2.805 -4.749 5.782 241 HG21 VAL 32 1HG2 VAL 32 3.664 -8.127 6.933 242 HG22 VAL 32 2HG2 VAL 32 3.078 -8.984 5.506 243 HG23 VAL 32 3HG2 VAL 32 1.932 -8.286 6.648 244 H CYS 33 H CYS 33 0.372 -4.873 4.500 245 HA CYS 33 HA CYS 33 1.119 -3.418 2.175 246 HB2 CYS 33 2HB CYS 33 -0.619 -2.935 4.550 247 HB3 CYS 33 1HB CYS 33 -0.106 -1.572 3.559 248 H ASN 34 H ASN 34 2.900 -2.224 1.970 249 HA ASN 34 HA ASN 34 4.044 -0.998 4.381 250 HB2 ASN 34 2HB ASN 34 5.606 -1.932 1.949 251 HB3 ASN 34 1HB ASN 34 6.269 -1.266 3.429 252 HD21 ASN 34 1HD2 ASN 34 4.998 -4.008 1.865 253 HD22 ASN 34 2HD2 ASN 34 5.345 -5.205 3.042 254 H CYS 35 H CYS 35 4.433 1.174 4.136 255 HA CYS 35 HA CYS 35 3.996 2.306 1.439 256 HB2 CYS 35 2HB CYS 35 3.582 3.687 4.094 257 HB3 CYS 35 1HB CYS 35 3.197 4.322 2.512 258 H ARG 36 H ARG 36 5.638 3.442 0.554 259 HA ARG 36 HA ARG 36 7.428 5.119 1.769 260 HB2 ARG 36 2HB ARG 36 8.205 2.978 2.930 261 HB3 ARG 36 1HB ARG 36 8.761 2.445 1.353 262 HG2 ARG 36 2HG ARG 36 10.280 4.332 1.224 263 HG3 ARG 36 1HG ARG 36 9.692 4.918 2.781 264 HD2 ARG 36 2HD ARG 36 11.140 2.315 2.277 265 HD3 ARG 36 1HD ARG 36 11.799 3.737 3.088 266 HE ARG 36 HE ARG 36 9.571 3.104 4.515 267 HH11 ARG 36 1HH1 ARG 36 12.601 1.438 3.750 268 HH12 ARG 36 2HH1 ARG 36 12.472 0.337 5.039 269 HH21 ARG 36 1HH2 ARG 36 9.399 1.605 6.259 270 HH22 ARG 36 2HH2 ARG 36 10.608 0.435 6.522 271 H ARG 37 H ARG 37 6.996 2.614 -0.684 272 HA ARG 37 HA ARG 37 8.684 4.115 -2.535 273 HB2 ARG 37 2HB ARG 37 7.803 1.245 -2.629 274 HB3 ARG 37 1HB ARG 37 8.955 2.021 -3.709 275 HG2 ARG 37 2HG ARG 37 10.499 2.294 -1.838 276 HG3 ARG 37 1HG ARG 37 9.287 1.555 -0.774 277 HD2 ARG 37 2HD ARG 37 9.354 -0.481 -2.094 278 HD3 ARG 37 1HD ARG 37 10.576 0.225 -3.154 279 HE ARG 37 HE ARG 37 11.743 0.420 -0.785 280 HH11 ARG 37 1HH1 ARG 37 10.059 -2.301 -2.297 281 HH12 ARG 37 2HH1 ARG 37 10.994 -3.509 -1.541 282 HH21 ARG 37 1HH2 ARG 37 13.049 -1.245 0.255 283 HH22 ARG 37 2HH2 ARG 37 12.748 -2.890 -0.067 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -9.652 0.173 6.482 2 H2 GLY 1 2HT GLY 1 -9.580 -1.410 5.862 3 H3 GLY 1 3HT GLY 1 -9.443 -0.095 4.820 4 HA2 GLY 1 1HA GLY 1 -7.383 0.550 5.914 5 HA3 GLY 1 2HA GLY 1 -7.555 -0.848 6.968 6 H ILE 2 H ILE 2 -5.338 -1.078 5.914 7 HA ILE 2 HA ILE 2 -5.127 -1.896 3.240 8 HB ILE 2 HB ILE 2 -2.915 -2.833 3.967 9 HG12 ILE 2 2HG1 ILE 2 -3.805 -1.731 6.653 10 HG13 ILE 2 1HG1 ILE 2 -3.484 -3.408 6.258 11 HG21 ILE 2 1HG2 ILE 2 -3.141 -0.591 3.094 12 HG22 ILE 2 2HG2 ILE 2 -1.948 -0.622 4.392 13 HG23 ILE 2 3HG2 ILE 2 -3.564 0.013 4.695 14 HD11 ILE 2 1HD1 ILE 2 -1.159 -2.942 5.977 15 HD12 ILE 2 2HD1 ILE 2 -1.691 -2.331 7.546 16 HD13 ILE 2 3HD1 ILE 2 -1.447 -1.219 6.192 17 H THR 3 H THR 3 -5.307 -3.775 2.260 18 HA THR 3 HA THR 3 -5.294 -6.247 3.724 19 HB THR 3 HB THR 3 -7.530 -5.583 1.773 20 HG1 THR 3 1HG THR 3 -7.243 -5.180 4.497 21 HG21 THR 3 1HG2 THR 3 -6.953 -7.975 1.974 22 HG22 THR 3 2HG2 THR 3 -8.552 -7.647 2.642 23 HG23 THR 3 3HG2 THR 3 -7.177 -7.880 3.721 24 H CYS 4 H CYS 4 -4.585 -7.969 2.291 25 HA CYS 4 HA CYS 4 -3.664 -6.906 -0.264 26 HB2 CYS 4 2HB CYS 4 -2.388 -9.040 1.427 27 HB3 CYS 4 1HB CYS 4 -1.846 -8.518 -0.167 28 H ASP 5 H ASP 5 -4.947 -7.585 -1.796 29 HA ASP 5 HA ASP 5 -5.765 -10.379 -1.861 30 HB2 ASP 5 2HB ASP 5 -7.547 -8.892 -2.444 31 HB3 ASP 5 1HB ASP 5 -6.501 -7.928 -3.467 32 H LEU 6 H LEU 6 -4.061 -7.901 -3.654 33 HA LEU 6 HA LEU 6 -2.500 -9.987 -4.976 34 HB2 LEU 6 2HB LEU 6 -3.036 -7.127 -5.833 35 HB3 LEU 6 1HB LEU 6 -1.955 -8.211 -6.668 36 HG LEU 6 HG LEU 6 -4.939 -8.581 -6.399 37 HD11 LEU 6 1HD1 LEU 6 -4.986 -8.101 -8.784 38 HD12 LEU 6 2HD1 LEU 6 -3.247 -7.815 -8.767 39 HD13 LEU 6 3HD1 LEU 6 -4.324 -6.739 -7.878 40 HD21 LEU 6 1HD2 LEU 6 -2.883 -10.186 -7.919 41 HD22 LEU 6 2HD2 LEU 6 -4.627 -10.392 -8.024 42 HD23 LEU 6 3HD2 LEU 6 -3.794 -10.729 -6.508 43 H ILE 7 H ILE 7 -0.329 -9.108 -5.467 44 HA ILE 7 HA ILE 7 0.837 -7.694 -3.164 45 HB ILE 7 HB ILE 7 2.057 -9.818 -4.974 46 HG12 ILE 7 2HG1 ILE 7 1.262 -9.929 -2.058 47 HG13 ILE 7 1HG1 ILE 7 0.475 -10.755 -3.387 48 HG21 ILE 7 1HG2 ILE 7 3.309 -8.392 -2.627 49 HG22 ILE 7 2HG2 ILE 7 3.748 -8.197 -4.323 50 HG23 ILE 7 3HG2 ILE 7 4.028 -9.739 -3.512 51 HD11 ILE 7 1HD1 ILE 7 2.447 -12.130 -3.744 52 HD12 ILE 7 2HD1 ILE 7 1.879 -12.272 -2.079 53 HD13 ILE 7 3HD1 ILE 7 3.286 -11.276 -2.453 54 H GLY 8 H GLY 8 1.950 -5.850 -3.698 55 HA2 GLY 8 2HA GLY 8 2.993 -4.244 -5.010 56 HA3 GLY 8 1HA GLY 8 3.037 -5.420 -6.310 57 H ASN 9 H ASN 9 0.350 -5.889 -6.658 58 HA ASN 9 HA ASN 9 -0.408 -3.484 -8.190 59 HB2 ASN 9 2HB ASN 9 -1.489 -6.310 -8.199 60 HB3 ASN 9 1HB ASN 9 -2.103 -5.016 -9.208 61 HD21 ASN 9 1HD2 ASN 9 -1.649 -6.200 -11.034 62 HD22 ASN 9 2HD2 ASN 9 -0.040 -6.441 -11.592 63 H GLU 10 H GLU 10 -0.772 -4.114 -5.276 64 HA GLU 10 HA GLU 10 -3.617 -4.320 -5.073 65 HB2 GLU 10 2HB GLU 10 -2.213 -5.734 -3.702 66 HB3 GLU 10 1HB GLU 10 -1.501 -4.331 -2.931 67 HG2 GLU 10 2HG GLU 10 -3.182 -5.367 -1.592 68 HG3 GLU 10 1HG GLU 10 -3.611 -3.706 -2.084 69 H ARG 11 H ARG 11 -3.898 -2.392 -6.033 70 HA ARG 11 HA ARG 11 -3.113 0.155 -5.237 71 HB2 ARG 11 2HB ARG 11 -4.242 -0.353 -7.340 72 HB3 ARG 11 1HB ARG 11 -5.734 -0.633 -6.462 73 HG2 ARG 11 2HG ARG 11 -5.846 1.669 -5.810 74 HG3 ARG 11 1HG ARG 11 -4.271 1.994 -6.541 75 HD2 ARG 11 2HD ARG 11 -6.768 1.103 -7.962 76 HD3 ARG 11 1HD ARG 11 -6.013 2.699 -8.046 77 HE ARG 11 HE ARG 11 -4.011 1.226 -8.825 78 HH11 ARG 11 1HH1 ARG 11 -7.393 1.060 -9.820 79 HH12 ARG 11 2HH1 ARG 11 -7.068 0.335 -11.327 80 HH21 ARG 11 1HH2 ARG 11 -3.562 0.178 -10.889 81 HH22 ARG 11 2HH2 ARG 11 -4.839 -0.127 -11.970 82 H LEU 12 H LEU 12 -5.761 -1.794 -3.988 83 HA LEU 12 HA LEU 12 -6.853 0.270 -2.396 84 HB2 LEU 12 2HB LEU 12 -7.126 -2.726 -2.151 85 HB3 LEU 12 1HB LEU 12 -8.044 -1.572 -1.201 86 HG LEU 12 HG LEU 12 -8.178 -1.880 -4.205 87 HD11 LEU 12 1HD1 LEU 12 -9.251 -3.720 -3.063 88 HD12 LEU 12 2HD1 LEU 12 -10.454 -2.663 -3.799 89 HD13 LEU 12 3HD1 LEU 12 -10.162 -2.590 -2.062 90 HD21 LEU 12 1HD2 LEU 12 -9.709 -0.052 -2.355 91 HD22 LEU 12 2HD2 LEU 12 -10.065 -0.307 -4.061 92 HD23 LEU 12 3HD2 LEU 12 -8.543 0.439 -3.589 93 H CYS 13 H CYS 13 -4.118 -1.659 -2.047 94 HA CYS 13 HA CYS 13 -3.798 -1.098 0.770 95 HB2 CYS 13 2HB CYS 13 -2.884 -3.172 0.067 96 HB3 CYS 13 1HB CYS 13 -2.149 -2.450 -1.359 97 H VAL 14 H VAL 14 -2.450 -0.146 -2.347 98 HA VAL 14 HA VAL 14 -0.475 1.659 -1.589 99 HB VAL 14 HB VAL 14 -2.251 1.866 -4.023 100 HG11 VAL 14 1HG1 VAL 14 -0.914 3.860 -3.721 101 HG12 VAL 14 2HG1 VAL 14 -0.313 2.939 -5.099 102 HG13 VAL 14 3HG1 VAL 14 0.547 2.887 -3.561 103 HG21 VAL 14 1HG2 VAL 14 -1.308 -0.375 -3.850 104 HG22 VAL 14 2HG2 VAL 14 0.306 0.306 -3.668 105 HG23 VAL 14 3HG2 VAL 14 -0.569 0.506 -5.187 106 H VAL 15 H VAL 15 -3.940 2.173 -1.974 107 HA VAL 15 HA VAL 15 -3.941 4.968 -1.893 108 HB VAL 15 HB VAL 15 -5.856 3.587 -2.618 109 HG11 VAL 15 1HG1 VAL 15 -5.903 1.912 -0.922 110 HG12 VAL 15 2HG1 VAL 15 -7.465 2.734 -0.983 111 HG13 VAL 15 3HG1 VAL 15 -6.313 3.111 0.300 112 HG21 VAL 15 1HG2 VAL 15 -7.638 5.036 -1.696 113 HG22 VAL 15 2HG2 VAL 15 -6.208 5.932 -2.212 114 HG23 VAL 15 3HG2 VAL 15 -6.483 5.621 -0.496 115 H HIS 16 H HIS 16 -3.532 2.715 0.663 116 HA HIS 16 HA HIS 16 -4.229 4.475 2.817 117 HB2 HIS 16 2HB HIS 16 -4.108 2.020 3.131 118 HB3 HIS 16 1HB HIS 16 -2.397 2.066 2.754 119 HD1 HIS 16 1HD HIS 16 -4.759 3.436 5.414 120 HD2 HIS 16 2HD HIS 16 -0.809 2.286 4.869 121 HE1 HIS 16 1HE HIS 16 -3.672 3.594 7.680 122 H CYS 17 H CYS 17 -1.314 3.671 1.113 123 HA CYS 17 HA CYS 17 0.485 5.308 2.584 124 HB2 CYS 17 2HB CYS 17 0.662 4.387 -0.279 125 HB3 CYS 17 1HB CYS 17 1.985 4.803 0.816 126 H LEU 18 H LEU 18 -1.506 5.751 -0.279 127 HA LEU 18 HA LEU 18 -0.577 8.334 -0.954 128 HB2 LEU 18 2HB LEU 18 -3.289 7.113 -1.477 129 HB3 LEU 18 1HB LEU 18 -2.624 8.498 -2.304 130 HG LEU 18 HG LEU 18 -1.638 5.652 -2.493 131 HD11 LEU 18 1HD1 LEU 18 -2.992 7.426 -4.510 132 HD12 LEU 18 2HD1 LEU 18 -3.714 6.043 -3.693 133 HD13 LEU 18 3HD1 LEU 18 -2.374 5.805 -4.815 134 HD21 LEU 18 1HD2 LEU 18 -0.098 6.473 -4.215 135 HD22 LEU 18 2HD2 LEU 18 0.246 7.203 -2.649 136 HD23 LEU 18 3HD2 LEU 18 -0.610 8.127 -3.887 137 H ALA 19 H ALA 19 -3.039 7.151 1.251 138 HA ALA 19 HA ALA 19 -4.206 9.659 1.838 139 HB1 ALA 19 1HB ALA 19 -5.244 8.511 3.722 140 HB2 ALA 19 2HB ALA 19 -4.154 7.142 3.500 141 HB3 ALA 19 3HB ALA 19 -5.347 7.529 2.259 142 H LYS 20 H LYS 20 -1.654 7.752 3.340 143 HA LYS 20 HA LYS 20 -1.196 9.652 5.407 144 HB2 LYS 20 2HB LYS 20 0.404 7.293 4.459 145 HB3 LYS 20 1HB LYS 20 1.007 8.362 5.720 146 HG2 LYS 20 2HG LYS 20 -0.969 7.848 7.080 147 HG3 LYS 20 1HG LYS 20 -1.557 6.771 5.815 148 HD2 LYS 20 2HD LYS 20 0.327 5.319 6.108 149 HD3 LYS 20 1HD LYS 20 1.081 6.444 7.243 150 HE2 LYS 20 2HE LYS 20 -0.734 6.105 8.816 151 HE3 LYS 20 1HE LYS 20 -1.576 5.082 7.657 152 HZ1 LYS 20 1HZ LYS 20 1.039 4.454 8.932 153 HZ2 LYS 20 2HZ LYS 20 0.246 3.502 7.796 154 HZ3 LYS 20 3HZ LYS 20 -0.445 3.765 9.310 155 H GLY 21 H GLY 21 -0.099 9.449 2.160 156 HA2 GLY 21 2HA GLY 21 0.531 11.618 1.198 157 HA3 GLY 21 1HA GLY 21 1.414 11.941 2.679 158 H PHE 22 H PHE 22 1.668 8.802 1.527 159 HA PHE 22 HA PHE 22 4.472 9.053 1.136 160 HB2 PHE 22 2HB PHE 22 2.503 6.853 1.101 161 HB3 PHE 22 1HB PHE 22 4.060 6.490 0.393 162 HD1 PHE 22 1HD PHE 22 2.201 7.085 3.419 163 HD2 PHE 22 2HD PHE 22 6.042 6.695 1.694 164 HE1 PHE 22 1HE PHE 22 3.159 6.689 5.647 165 HE2 PHE 22 2HE PHE 22 7.016 6.305 3.805 166 HZ PHE 22 HZ PHE 22 5.586 6.292 5.879 167 H ARG 23 H ARG 23 5.654 8.400 -0.704 168 HA ARG 23 HA ARG 23 4.697 9.417 -3.173 169 HB2 ARG 23 2HB ARG 23 7.071 7.613 -2.620 170 HB3 ARG 23 1HB ARG 23 6.775 8.465 -4.125 171 HG2 ARG 23 2HG ARG 23 7.339 9.736 -1.451 172 HG3 ARG 23 1HG ARG 23 8.467 9.587 -2.794 173 HD2 ARG 23 2HD ARG 23 6.980 10.984 -4.165 174 HD3 ARG 23 1HD ARG 23 5.882 11.135 -2.793 175 HE ARG 23 HE ARG 23 8.466 11.915 -2.038 176 HH11 ARG 23 1HH1 ARG 23 5.697 13.081 -3.919 177 HH12 ARG 23 2HH1 ARG 23 6.103 14.725 -3.759 178 HH21 ARG 23 1HH2 ARG 23 9.032 14.178 -1.825 179 HH22 ARG 23 2HH2 ARG 23 8.046 15.358 -2.554 180 H GLY 24 H GLY 24 4.446 6.440 -1.531 181 HA2 GLY 24 2HA GLY 24 2.426 5.441 -3.031 182 HA3 GLY 24 1HA GLY 24 3.881 4.861 -3.829 183 H GLY 25 H GLY 25 2.497 2.932 -3.045 184 HA2 GLY 25 2HA GLY 25 3.827 1.896 -0.742 185 HA3 GLY 25 1HA GLY 25 2.084 2.077 -0.606 186 H TRP 26 H TRP 26 3.164 -0.396 -0.465 187 HA TRP 26 HA TRP 26 1.840 -1.699 -2.613 188 HB2 TRP 26 2HB TRP 26 3.708 -2.867 -3.592 189 HB3 TRP 26 1HB TRP 26 4.058 -1.150 -3.668 190 HD1 TRP 26 HD TRP 26 5.716 -4.284 -2.959 191 HE1 TRP 26 1HE TRP 26 7.892 -3.939 -1.595 192 HE3 TRP 26 3HE TRP 26 4.983 0.475 -1.326 193 HZ2 TRP 26 2HZ TRP 26 9.093 -1.999 -0.054 194 HZ3 TRP 26 3HZ TRP 26 6.661 1.533 0.106 195 HH2 TRP 26 HH TRP 26 8.715 0.310 0.726 196 H CYS 27 H CYS 27 1.355 -3.762 -2.053 197 HA CYS 27 HA CYS 27 2.069 -4.623 0.618 198 HB2 CYS 27 2HB CYS 27 -0.245 -4.993 -0.194 199 HB3 CYS 27 1HB CYS 27 0.385 -5.971 -1.519 200 H ASP 28 H ASP 28 3.614 -6.109 1.019 201 HA ASP 28 HA ASP 28 5.138 -6.966 -1.327 202 HB2 ASP 28 2HB ASP 28 7.094 -7.157 0.050 203 HB3 ASP 28 1HB ASP 28 6.291 -5.681 0.524 204 H SER 29 H SER 29 6.521 -9.115 -0.419 205 HA SER 29 HA SER 29 4.743 -11.171 -0.999 206 HB2 SER 29 2HB SER 29 6.778 -12.595 -0.390 207 HB3 SER 29 1HB SER 29 6.969 -11.411 -1.684 208 HG SER 29 HG SER 29 8.015 -11.436 0.896 209 H ARG 30 H ARG 30 5.689 -9.839 2.063 210 HA ARG 30 HA ARG 30 4.899 -12.129 3.643 211 HB2 ARG 30 2HB ARG 30 5.359 -9.265 4.459 212 HB3 ARG 30 1HB ARG 30 5.220 -10.633 5.545 213 HG2 ARG 30 2HG ARG 30 7.315 -11.503 4.855 214 HG3 ARG 30 1HG ARG 30 7.390 -10.398 3.474 215 HD2 ARG 30 2HD ARG 30 7.472 -9.632 6.393 216 HD3 ARG 30 1HD ARG 30 8.819 -9.559 5.248 217 HE ARG 30 HE ARG 30 6.913 -8.101 4.049 218 HH11 ARG 30 1HH1 ARG 30 8.522 -7.813 7.197 219 HH12 ARG 30 2HH1 ARG 30 8.158 -6.168 7.398 220 HH21 ARG 30 1HH2 ARG 30 6.368 -5.937 4.326 221 HH22 ARG 30 2HH2 ARG 30 6.846 -5.028 5.702 222 H LYS 31 H LYS 31 3.090 -10.088 1.823 223 HA LYS 31 HA LYS 31 0.899 -9.483 1.693 224 HB2 LYS 31 2HB LYS 31 0.547 -11.130 4.224 225 HB3 LYS 31 1HB LYS 31 -0.761 -10.488 3.254 226 HG2 LYS 31 2HG LYS 31 1.246 -12.498 2.252 227 HG3 LYS 31 1HG LYS 31 -0.306 -12.920 2.970 228 HD2 LYS 31 2HD LYS 31 -1.423 -11.591 1.193 229 HD3 LYS 31 1HD LYS 31 0.156 -11.331 0.451 230 HE2 LYS 31 2HE LYS 31 0.459 -13.680 0.081 231 HE3 LYS 31 1HE LYS 31 -0.978 -14.060 1.024 232 HZ1 LYS 31 1HZ LYS 31 -1.344 -14.199 -1.384 233 HZ2 LYS 31 2HZ LYS 31 -1.021 -12.552 -1.538 234 HZ3 LYS 31 3HZ LYS 31 -2.345 -13.076 -0.645 235 H VAL 32 H VAL 32 2.932 -8.062 3.143 236 HA VAL 32 HA VAL 32 1.336 -6.558 5.094 237 HB VAL 32 HB VAL 32 4.358 -6.653 4.770 238 HG11 VAL 32 1HG1 VAL 32 3.599 -4.509 5.636 239 HG12 VAL 32 2HG1 VAL 32 4.434 -5.431 6.888 240 HG13 VAL 32 3HG1 VAL 32 2.676 -5.332 6.893 241 HG21 VAL 32 1HG2 VAL 32 4.399 -7.862 6.888 242 HG22 VAL 32 2HG2 VAL 32 3.491 -8.754 5.664 243 HG23 VAL 32 3HG2 VAL 32 2.638 -7.866 6.924 244 H CYS 33 H CYS 33 0.957 -4.516 4.753 245 HA CYS 33 HA CYS 33 1.665 -3.436 2.191 246 HB2 CYS 33 2HB CYS 33 -0.283 -2.636 4.322 247 HB3 CYS 33 1HB CYS 33 0.212 -1.509 3.061 248 H ASN 34 H ASN 34 3.239 -2.141 1.828 249 HA ASN 34 HA ASN 34 4.586 -0.826 4.102 250 HB2 ASN 34 2HB ASN 34 5.817 -1.604 1.454 251 HB3 ASN 34 1HB ASN 34 6.644 -1.016 2.886 252 HD21 ASN 34 1HD2 ASN 34 5.121 -3.651 1.359 253 HD22 ASN 34 2HD2 ASN 34 5.627 -4.893 2.445 254 H CYS 35 H CYS 35 4.823 1.315 3.853 255 HA CYS 35 HA CYS 35 4.272 2.494 1.195 256 HB2 CYS 35 2HB CYS 35 3.896 3.764 3.914 257 HB3 CYS 35 1HB CYS 35 3.407 4.425 2.363 258 H ARG 36 H ARG 36 5.752 3.620 0.282 259 HA ARG 36 HA ARG 36 7.704 5.159 1.460 260 HB2 ARG 36 2HB ARG 36 8.589 3.092 2.475 261 HB3 ARG 36 1HB ARG 36 8.696 2.360 0.883 262 HG2 ARG 36 2HG ARG 36 10.382 3.992 0.236 263 HG3 ARG 36 1HG ARG 36 10.259 4.749 1.826 264 HD2 ARG 36 2HD ARG 36 11.060 1.890 1.315 265 HD3 ARG 36 1HD ARG 36 12.182 3.211 1.645 266 HE ARG 36 HE ARG 36 10.629 3.367 3.772 267 HH11 ARG 36 1HH1 ARG 36 12.023 0.453 2.295 268 HH12 ARG 36 2HH1 ARG 36 12.199 -0.379 3.759 269 HH21 ARG 36 1HH2 ARG 36 10.866 2.208 5.796 270 HH22 ARG 36 2HH2 ARG 36 11.542 0.648 5.794 271 H ARG 37 H ARG 37 7.359 2.650 -1.038 272 HA ARG 37 HA ARG 37 9.023 4.208 -2.716 273 HB2 ARG 37 2HB ARG 37 9.458 2.197 -3.932 274 HB3 ARG 37 1HB ARG 37 9.128 1.796 -2.243 275 HG2 ARG 37 2HG ARG 37 7.181 0.799 -2.626 276 HG3 ARG 37 1HG ARG 37 6.981 1.491 -4.249 277 HD2 ARG 37 2HD ARG 37 9.042 -0.554 -3.385 278 HD3 ARG 37 1HD ARG 37 7.610 -0.883 -4.360 279 HE ARG 37 HE ARG 37 9.127 1.128 -5.578 280 HH11 ARG 37 1HH1 ARG 37 9.355 -2.380 -4.986 281 HH12 ARG 37 2HH1 ARG 37 10.266 -2.667 -6.389 282 HH21 ARG 37 1HH2 ARG 37 10.410 0.681 -7.463 283 HH22 ARG 37 2HH2 ARG 37 10.885 -0.922 -7.822 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -9.916 -0.580 7.057 2 H2 GLY 1 2HT GLY 1 -9.823 -1.899 5.986 3 H3 GLY 1 3HT GLY 1 -9.638 -0.340 5.408 4 HA2 GLY 1 1HA GLY 1 -7.612 -0.060 6.615 5 HA3 GLY 1 2HA GLY 1 -7.804 -1.694 7.249 6 H ILE 2 H ILE 2 -5.544 -1.533 6.064 7 HA ILE 2 HA ILE 2 -5.890 -2.071 3.257 8 HB ILE 2 HB ILE 2 -3.384 -2.062 3.210 9 HG12 ILE 2 2HG1 ILE 2 -3.768 -1.281 6.114 10 HG13 ILE 2 1HG1 ILE 2 -2.850 -2.636 5.476 11 HG21 ILE 2 1HG2 ILE 2 -3.219 0.365 3.403 12 HG22 ILE 2 2HG2 ILE 2 -4.735 0.394 4.298 13 HG23 ILE 2 3HG2 ILE 2 -4.724 -0.112 2.612 14 HD11 ILE 2 1HD1 ILE 2 -1.274 -1.029 4.475 15 HD12 ILE 2 2HD1 ILE 2 -1.354 -0.945 6.230 16 HD13 ILE 2 3HD1 ILE 2 -2.169 0.278 5.250 17 H THR 3 H THR 3 -5.497 -3.942 2.325 18 HA THR 3 HA THR 3 -4.843 -6.280 3.944 19 HB THR 3 HB THR 3 -7.261 -6.131 2.154 20 HG1 THR 3 1HG THR 3 -8.137 -5.046 3.702 21 HG21 THR 3 1HG2 THR 3 -6.393 -8.382 2.579 22 HG22 THR 3 2HG2 THR 3 -7.950 -8.172 3.381 23 HG23 THR 3 3HG2 THR 3 -6.459 -8.096 4.318 24 H CYS 4 H CYS 4 -4.074 -7.984 2.532 25 HA CYS 4 HA CYS 4 -3.498 -7.017 -0.157 26 HB2 CYS 4 2HB CYS 4 -2.038 -9.055 1.486 27 HB3 CYS 4 1HB CYS 4 -1.619 -8.540 -0.145 28 H ASP 5 H ASP 5 -4.585 -7.884 -1.660 29 HA ASP 5 HA ASP 5 -5.140 -10.775 -1.606 30 HB2 ASP 5 2HB ASP 5 -7.179 -9.413 -1.934 31 HB3 ASP 5 1HB ASP 5 -6.404 -8.576 -3.275 32 H LEU 6 H LEU 6 -3.867 -7.975 -3.242 33 HA LEU 6 HA LEU 6 -2.472 -9.652 -5.154 34 HB2 LEU 6 2HB LEU 6 -3.110 -6.706 -5.172 35 HB3 LEU 6 1HB LEU 6 -2.254 -7.571 -6.428 36 HG LEU 6 HG LEU 6 -5.144 -7.999 -5.668 37 HD11 LEU 6 1HD1 LEU 6 -4.729 -5.853 -6.747 38 HD12 LEU 6 2HD1 LEU 6 -5.645 -6.943 -7.782 39 HD13 LEU 6 3HD1 LEU 6 -3.925 -6.680 -8.079 40 HD21 LEU 6 1HD2 LEU 6 -3.513 -9.138 -7.928 41 HD22 LEU 6 2HD2 LEU 6 -5.245 -9.364 -7.689 42 HD23 LEU 6 3HD2 LEU 6 -4.100 -10.032 -6.526 43 H ILE 7 H ILE 7 -0.346 -9.022 -5.496 44 HA ILE 7 HA ILE 7 0.976 -7.714 -3.229 45 HB ILE 7 HB ILE 7 2.036 -9.928 -5.035 46 HG12 ILE 7 2HG1 ILE 7 1.248 -9.936 -2.113 47 HG13 ILE 7 1HG1 ILE 7 0.361 -10.689 -3.421 48 HG21 ILE 7 1HG2 ILE 7 4.010 -9.946 -3.569 49 HG22 ILE 7 2HG2 ILE 7 3.355 -8.577 -2.670 50 HG23 ILE 7 3HG2 ILE 7 3.820 -8.379 -4.359 51 HD11 ILE 7 1HD1 ILE 7 1.622 -12.316 -2.115 52 HD12 ILE 7 2HD1 ILE 7 3.122 -11.477 -2.527 53 HD13 ILE 7 3HD1 ILE 7 2.166 -12.255 -3.789 54 H GLY 8 H GLY 8 1.951 -5.896 -3.748 55 HA2 GLY 8 2HA GLY 8 2.995 -4.239 -5.025 56 HA3 GLY 8 1HA GLY 8 3.100 -5.399 -6.341 57 H ASN 9 H ASN 9 0.378 -5.971 -6.620 58 HA ASN 9 HA ASN 9 -0.452 -3.614 -8.162 59 HB2 ASN 9 2HB ASN 9 -1.527 -6.442 -8.122 60 HB3 ASN 9 1HB ASN 9 -2.125 -5.169 -9.174 61 HD21 ASN 9 1HD2 ASN 9 0.414 -7.433 -8.571 62 HD22 ASN 9 2HD2 ASN 9 1.262 -7.197 -10.043 63 H GLU 10 H GLU 10 -0.702 -4.216 -5.256 64 HA GLU 10 HA GLU 10 -3.527 -4.367 -4.787 65 HB2 GLU 10 2HB GLU 10 -1.907 -5.671 -3.509 66 HB3 GLU 10 1HB GLU 10 -1.189 -4.210 -2.879 67 HG2 GLU 10 2HG GLU 10 -2.657 -5.276 -1.318 68 HG3 GLU 10 1HG GLU 10 -3.249 -3.665 -1.796 69 H ARG 11 H ARG 11 -3.685 -2.338 -6.002 70 HA ARG 11 HA ARG 11 -2.766 0.144 -5.044 71 HB2 ARG 11 2HB ARG 11 -3.549 -0.264 -7.354 72 HB3 ARG 11 1HB ARG 11 -5.199 -0.351 -6.758 73 HG2 ARG 11 2HG ARG 11 -5.067 1.954 -5.998 74 HG3 ARG 11 1HG ARG 11 -3.396 2.051 -6.545 75 HD2 ARG 11 2HD ARG 11 -5.806 1.562 -8.288 76 HD3 ARG 11 1HD ARG 11 -4.936 3.082 -8.126 77 HE ARG 11 HE ARG 11 -3.284 0.881 -8.967 78 HH11 ARG 11 1HH1 ARG 11 -5.418 3.485 -10.061 79 HH12 ARG 11 2HH1 ARG 11 -4.767 3.525 -11.642 80 HH21 ARG 11 1HH2 ARG 11 -2.408 0.945 -11.186 81 HH22 ARG 11 2HH2 ARG 11 -3.063 2.064 -12.276 82 H LEU 12 H LEU 12 -5.492 -1.788 -4.166 83 HA LEU 12 HA LEU 12 -7.011 0.214 -2.856 84 HB2 LEU 12 2HB LEU 12 -6.864 -2.736 -2.245 85 HB3 LEU 12 1HB LEU 12 -8.113 -1.644 -1.693 86 HG LEU 12 HG LEU 12 -7.615 -2.538 -4.528 87 HD11 LEU 12 1HD1 LEU 12 -8.664 -4.220 -3.162 88 HD12 LEU 12 2HD1 LEU 12 -9.833 -3.549 -4.304 89 HD13 LEU 12 3HD1 LEU 12 -9.869 -3.058 -2.612 90 HD21 LEU 12 1HD2 LEU 12 -8.356 -0.207 -4.526 91 HD22 LEU 12 2HD2 LEU 12 -9.709 -0.629 -3.476 92 HD23 LEU 12 3HD2 LEU 12 -9.635 -1.270 -5.115 93 H CYS 13 H CYS 13 -4.143 -1.485 -2.048 94 HA CYS 13 HA CYS 13 -4.236 -0.646 0.705 95 HB2 CYS 13 2HB CYS 13 -3.225 -2.771 0.357 96 HB3 CYS 13 1HB CYS 13 -2.228 -2.148 -0.961 97 H VAL 14 H VAL 14 -2.554 0.086 -2.285 98 HA VAL 14 HA VAL 14 -0.616 1.904 -1.478 99 HB VAL 14 HB VAL 14 -2.193 2.007 -4.047 100 HG11 VAL 14 1HG1 VAL 14 -0.164 3.022 -5.025 101 HG12 VAL 14 2HG1 VAL 14 0.567 3.052 -3.419 102 HG13 VAL 14 3HG1 VAL 14 -0.871 4.015 -3.751 103 HG21 VAL 14 1HG2 VAL 14 -0.449 0.580 -5.007 104 HG22 VAL 14 2HG2 VAL 14 -1.245 -0.226 -3.647 105 HG23 VAL 14 3HG2 VAL 14 0.343 0.498 -3.437 106 H VAL 15 H VAL 15 -4.026 2.478 -2.170 107 HA VAL 15 HA VAL 15 -4.078 5.238 -2.222 108 HB VAL 15 HB VAL 15 -6.025 3.800 -2.766 109 HG11 VAL 15 1HG1 VAL 15 -6.340 3.505 0.196 110 HG12 VAL 15 2HG1 VAL 15 -5.961 2.232 -0.964 111 HG13 VAL 15 3HG1 VAL 15 -7.538 3.025 -1.007 112 HG21 VAL 15 1HG2 VAL 15 -6.625 5.944 -0.733 113 HG22 VAL 15 2HG2 VAL 15 -7.790 5.262 -1.866 114 HG23 VAL 15 3HG2 VAL 15 -6.406 6.174 -2.468 115 H HIS 16 H HIS 16 -3.810 3.158 0.589 116 HA HIS 16 HA HIS 16 -4.357 5.126 2.573 117 HB2 HIS 16 2HB HIS 16 -4.567 2.824 3.187 118 HB3 HIS 16 1HB HIS 16 -2.946 2.469 2.625 119 HD1 HIS 16 1HD HIS 16 -4.498 4.633 5.412 120 HD2 HIS 16 2HD HIS 16 -1.209 2.272 4.556 121 HE1 HIS 16 1HE HIS 16 -3.089 4.594 7.529 122 H CYS 17 H CYS 17 -1.435 3.945 1.087 123 HA CYS 17 HA CYS 17 0.363 5.502 2.649 124 HB2 CYS 17 2HB CYS 17 0.707 4.414 -0.144 125 HB3 CYS 17 1HB CYS 17 1.992 4.904 0.956 126 H LEU 18 H LEU 18 -1.291 6.044 -0.411 127 HA LEU 18 HA LEU 18 -0.094 8.557 -0.930 128 HB2 LEU 18 2HB LEU 18 -2.749 7.447 -1.847 129 HB3 LEU 18 1HB LEU 18 -1.971 8.868 -2.514 130 HG LEU 18 HG LEU 18 -0.861 6.060 -2.644 131 HD11 LEU 18 1HD1 LEU 18 -2.165 7.746 -4.771 132 HD12 LEU 18 2HD1 LEU 18 -2.844 6.297 -4.026 133 HD13 LEU 18 3HD1 LEU 18 -1.396 6.180 -5.026 134 HD21 LEU 18 1HD2 LEU 18 0.745 7.023 -4.234 135 HD22 LEU 18 2HD2 LEU 18 0.904 7.737 -2.632 136 HD23 LEU 18 3HD2 LEU 18 0.088 8.628 -3.918 137 H ALA 19 H ALA 19 -2.879 7.554 0.958 138 HA ALA 19 HA ALA 19 -3.925 10.146 1.428 139 HB1 ALA 19 1HB ALA 19 -4.189 7.657 3.124 140 HB2 ALA 19 2HB ALA 19 -5.244 8.089 1.781 141 HB3 ALA 19 3HB ALA 19 -5.205 9.096 3.231 142 H LYS 20 H LYS 20 -1.688 8.076 3.168 143 HA LYS 20 HA LYS 20 -1.216 9.809 5.362 144 HB2 LYS 20 2HB LYS 20 0.548 7.679 4.163 145 HB3 LYS 20 1HB LYS 20 0.869 8.477 5.700 146 HG2 LYS 20 2HG LYS 20 -1.154 7.530 6.632 147 HG3 LYS 20 1HG LYS 20 -1.575 6.827 5.070 148 HD2 LYS 20 2HD LYS 20 -0.634 5.088 6.411 149 HD3 LYS 20 1HD LYS 20 0.549 5.510 5.180 150 HE2 LYS 20 2HE LYS 20 1.683 5.202 7.272 151 HE3 LYS 20 1HE LYS 20 1.696 6.916 6.852 152 HZ1 LYS 20 1HZ LYS 20 -0.115 7.266 8.429 153 HZ2 LYS 20 2HZ LYS 20 1.221 6.582 9.175 154 HZ3 LYS 20 3HZ LYS 20 -0.109 5.626 8.824 155 H GLY 21 H GLY 21 0.071 9.685 2.148 156 HA2 GLY 21 2HA GLY 21 0.809 11.837 1.223 157 HA3 GLY 21 1HA GLY 21 1.588 12.154 2.769 158 H PHE 22 H PHE 22 1.755 9.005 1.556 159 HA PHE 22 HA PHE 22 4.600 9.182 1.269 160 HB2 PHE 22 2HB PHE 22 2.585 7.028 1.435 161 HB3 PHE 22 1HB PHE 22 4.076 6.574 0.646 162 HD1 PHE 22 1HD PHE 22 6.060 6.488 1.779 163 HD2 PHE 22 2HD PHE 22 2.527 7.658 3.768 164 HE1 PHE 22 1HE PHE 22 7.163 6.128 3.821 165 HE2 PHE 22 2HE PHE 22 3.633 7.307 5.945 166 HZ PHE 22 HZ PHE 22 5.975 6.537 6.005 167 H ARG 23 H ARG 23 5.717 8.433 -0.560 168 HA ARG 23 HA ARG 23 4.904 9.352 -3.055 169 HB2 ARG 23 2HB ARG 23 6.847 7.144 -2.368 170 HB3 ARG 23 1HB ARG 23 6.723 7.907 -3.940 171 HG2 ARG 23 2HG ARG 23 7.451 10.011 -3.020 172 HG3 ARG 23 1HG ARG 23 7.470 9.330 -1.393 173 HD2 ARG 23 2HD ARG 23 9.713 9.377 -2.288 174 HD3 ARG 23 1HD ARG 23 9.165 7.709 -2.124 175 HE ARG 23 HE ARG 23 8.897 9.055 -4.690 176 HH11 ARG 23 1HH1 ARG 23 10.364 6.474 -2.778 177 HH12 ARG 23 2HH1 ARG 23 11.203 5.771 -4.080 178 HH21 ARG 23 1HH2 ARG 23 10.056 8.112 -6.482 179 HH22 ARG 23 2HH2 ARG 23 11.021 6.725 -6.270 180 H GLY 24 H GLY 24 4.386 6.362 -1.366 181 HA2 GLY 24 2HA GLY 24 2.103 5.628 -2.593 182 HA3 GLY 24 1HA GLY 24 3.385 4.981 -3.618 183 H GLY 25 H GLY 25 2.345 2.936 -2.906 184 HA2 GLY 25 2HA GLY 25 3.750 1.918 -0.640 185 HA3 GLY 25 1HA GLY 25 2.001 1.982 -0.451 186 H TRP 26 H TRP 26 3.079 -0.426 -0.345 187 HA TRP 26 HA TRP 26 1.914 -1.710 -2.604 188 HB2 TRP 26 2HB TRP 26 3.868 -2.815 -3.472 189 HB3 TRP 26 1HB TRP 26 4.236 -1.099 -3.445 190 HD1 TRP 26 HD TRP 26 5.619 -4.358 -2.455 191 HE1 TRP 26 1HE TRP 26 7.679 -4.081 -0.930 192 HE3 TRP 26 3HE TRP 26 5.123 0.571 -1.288 193 HZ2 TRP 26 2HZ TRP 26 8.902 -2.082 0.575 194 HZ3 TRP 26 3HZ TRP 26 6.742 1.618 0.227 195 HH2 TRP 26 HH TRP 26 8.628 0.305 1.146 196 H CYS 27 H CYS 27 1.905 -4.005 -2.243 197 HA CYS 27 HA CYS 27 2.335 -4.703 0.561 198 HB2 CYS 27 2HB CYS 27 0.032 -5.065 -0.279 199 HB3 CYS 27 1HB CYS 27 0.676 -6.086 -1.565 200 H ASP 28 H ASP 28 3.826 -6.244 0.996 201 HA ASP 28 HA ASP 28 5.375 -7.124 -1.328 202 HB2 ASP 28 2HB ASP 28 7.313 -7.362 0.087 203 HB3 ASP 28 1HB ASP 28 6.526 -5.889 0.576 204 H SER 29 H SER 29 6.587 -9.358 -0.648 205 HA SER 29 HA SER 29 4.671 -11.301 -1.133 206 HB2 SER 29 2HB SER 29 7.514 -11.642 -0.188 207 HB3 SER 29 1HB SER 29 6.518 -12.895 -0.936 208 HG SER 29 HG SER 29 6.443 -11.733 -2.795 209 H ARG 30 H ARG 30 5.645 -10.052 1.945 210 HA ARG 30 HA ARG 30 4.901 -12.395 3.478 211 HB2 ARG 30 2HB ARG 30 5.259 -9.526 4.331 212 HB3 ARG 30 1HB ARG 30 5.039 -10.883 5.416 213 HG2 ARG 30 2HG ARG 30 7.177 -11.769 4.824 214 HG3 ARG 30 1HG ARG 30 7.347 -10.577 3.526 215 HD2 ARG 30 2HD ARG 30 7.176 -9.972 6.478 216 HD3 ARG 30 1HD ARG 30 8.628 -9.872 5.474 217 HE ARG 30 HE ARG 30 6.838 -8.300 4.191 218 HH11 ARG 30 1HH1 ARG 30 8.191 -8.244 7.477 219 HH12 ARG 30 2HH1 ARG 30 7.949 -6.579 7.702 220 HH21 ARG 30 1HH2 ARG 30 6.472 -6.091 4.498 221 HH22 ARG 30 2HH2 ARG 30 6.916 -5.269 5.934 222 H LYS 31 H LYS 31 3.111 -10.242 1.707 223 HA LYS 31 HA LYS 31 0.929 -9.655 1.569 224 HB2 LYS 31 2HB LYS 31 0.583 -11.605 3.866 225 HB3 LYS 31 1HB LYS 31 -0.761 -10.767 3.111 226 HG2 LYS 31 2HG LYS 31 1.105 -12.685 1.729 227 HG3 LYS 31 1HG LYS 31 -0.487 -13.099 2.363 228 HD2 LYS 31 2HD LYS 31 -1.405 -11.273 0.857 229 HD3 LYS 31 1HD LYS 31 0.190 -11.228 0.100 230 HE2 LYS 31 2HE LYS 31 -1.312 -12.665 -1.164 231 HE3 LYS 31 1HE LYS 31 -0.012 -13.615 -0.441 232 HZ1 LYS 31 1HZ LYS 31 -1.524 -14.318 1.303 233 HZ2 LYS 31 2HZ LYS 31 -2.226 -14.654 -0.188 234 HZ3 LYS 31 3HZ LYS 31 -2.734 -13.329 0.704 235 H VAL 32 H VAL 32 2.860 -8.272 3.078 236 HA VAL 32 HA VAL 32 1.215 -6.883 5.090 237 HB VAL 32 HB VAL 32 4.229 -6.842 4.808 238 HG11 VAL 32 1HG1 VAL 32 2.463 -5.779 7.007 239 HG12 VAL 32 2HG1 VAL 32 3.349 -4.826 5.820 240 HG13 VAL 32 3HG1 VAL 32 4.227 -5.777 7.018 241 HG21 VAL 32 1HG2 VAL 32 4.328 -8.223 6.839 242 HG22 VAL 32 2HG2 VAL 32 3.489 -9.067 5.532 243 HG23 VAL 32 3HG2 VAL 32 2.568 -8.333 6.843 244 H CYS 33 H CYS 33 0.826 -4.834 4.782 245 HA CYS 33 HA CYS 33 1.598 -3.669 2.288 246 HB2 CYS 33 2HB CYS 33 -0.421 -2.976 4.408 247 HB3 CYS 33 1HB CYS 33 0.211 -1.730 3.320 248 H ASN 34 H ASN 34 3.066 -2.174 1.977 249 HA ASN 34 HA ASN 34 4.408 -0.916 4.297 250 HB2 ASN 34 2HB ASN 34 5.738 -1.696 1.696 251 HB3 ASN 34 1HB ASN 34 6.511 -1.111 3.156 252 HD21 ASN 34 1HD2 ASN 34 5.154 -3.792 1.525 253 HD22 ASN 34 2HD2 ASN 34 5.669 -5.020 2.621 254 H CYS 35 H CYS 35 4.922 1.291 3.955 255 HA CYS 35 HA CYS 35 4.031 2.437 1.383 256 HB2 CYS 35 2HB CYS 35 4.012 3.737 4.119 257 HB3 CYS 35 1HB CYS 35 3.526 4.514 2.622 258 H ARG 36 H ARG 36 5.522 3.512 0.194 259 HA ARG 36 HA ARG 36 7.492 5.221 1.052 260 HB2 ARG 36 2HB ARG 36 8.464 3.142 2.130 261 HB3 ARG 36 1HB ARG 36 8.725 2.527 0.504 262 HG2 ARG 36 2HG ARG 36 10.125 4.495 0.027 263 HG3 ARG 36 1HG ARG 36 9.939 5.001 1.707 264 HD2 ARG 36 2HD ARG 36 11.203 2.456 0.707 265 HD3 ARG 36 1HD ARG 36 12.035 3.833 1.420 266 HE ARG 36 HE ARG 36 10.236 3.021 3.320 267 HH11 ARG 36 1HH1 ARG 36 12.952 1.613 1.588 268 HH12 ARG 36 2HH1 ARG 36 13.373 0.505 2.807 269 HH21 ARG 36 1HH2 ARG 36 10.759 1.439 5.005 270 HH22 ARG 36 2HH2 ARG 36 12.082 0.386 4.798 271 H ARG 37 H ARG 37 6.813 2.594 -1.230 272 HA ARG 37 HA ARG 37 8.333 3.921 -3.310 273 HB2 ARG 37 2HB ARG 37 6.994 1.215 -3.274 274 HB3 ARG 37 1HB ARG 37 8.032 1.830 -4.552 275 HG2 ARG 37 2HG ARG 37 9.847 1.968 -2.799 276 HG3 ARG 37 1HG ARG 37 8.728 1.087 -1.753 277 HD2 ARG 37 2HD ARG 37 10.298 -0.440 -2.887 278 HD3 ARG 37 1HD ARG 37 8.621 -0.748 -3.344 279 HE ARG 37 HE ARG 37 9.837 1.078 -5.119 280 HH11 ARG 37 1HH1 ARG 37 9.827 -2.400 -4.382 281 HH12 ARG 37 2HH1 ARG 37 10.175 -2.866 -5.976 282 HH21 ARG 37 1HH2 ARG 37 10.303 0.392 -7.315 283 HH22 ARG 37 2HH2 ARG 37 10.428 -1.271 -7.666 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -8.647 0.273 5.546 2 H2 GLY 1 2HT GLY 1 -9.527 -0.172 6.920 3 H3 GLY 1 3HT GLY 1 -9.476 -1.182 5.565 4 HA2 GLY 1 1HA GLY 1 -7.123 -0.546 7.199 5 HA3 GLY 1 2HA GLY 1 -8.083 -2.017 7.315 6 H ILE 2 H ILE 2 -5.294 -0.955 6.150 7 HA ILE 2 HA ILE 2 -5.361 -1.798 3.503 8 HB ILE 2 HB ILE 2 -2.831 -1.982 3.771 9 HG12 ILE 2 2HG1 ILE 2 -3.558 -0.848 6.482 10 HG13 ILE 2 1HG1 ILE 2 -2.667 -2.324 6.150 11 HG21 ILE 2 1HG2 ILE 2 -4.242 0.604 4.345 12 HG22 ILE 2 2HG2 ILE 2 -3.940 -0.104 2.760 13 HG23 ILE 2 3HG2 ILE 2 -2.589 0.449 3.751 14 HD11 ILE 2 1HD1 ILE 2 -0.817 -1.004 5.265 15 HD12 ILE 2 2HD1 ILE 2 -1.212 -0.517 6.917 16 HD13 ILE 2 3HD1 ILE 2 -1.749 0.462 5.543 17 H THR 3 H THR 3 -5.453 -3.598 2.606 18 HA THR 3 HA THR 3 -4.851 -6.065 4.069 19 HB THR 3 HB THR 3 -7.167 -5.582 2.186 20 HG1 THR 3 1HG THR 3 -7.242 -4.399 4.256 21 HG21 THR 3 1HG2 THR 3 -6.466 -7.921 2.389 22 HG22 THR 3 2HG2 THR 3 -8.045 -7.685 3.143 23 HG23 THR 3 3HG2 THR 3 -6.600 -7.823 4.145 24 H CYS 4 H CYS 4 -3.876 -7.620 2.663 25 HA CYS 4 HA CYS 4 -3.370 -6.596 -0.019 26 HB2 CYS 4 2HB CYS 4 -1.581 -8.289 1.689 27 HB3 CYS 4 1HB CYS 4 -1.252 -7.797 0.030 28 H ASP 5 H ASP 5 -4.706 -7.589 -1.258 29 HA ASP 5 HA ASP 5 -5.021 -10.472 -1.073 30 HB2 ASP 5 2HB ASP 5 -7.072 -9.239 -1.424 31 HB3 ASP 5 1HB ASP 5 -6.332 -8.305 -2.714 32 H LEU 6 H LEU 6 -3.768 -7.840 -2.992 33 HA LEU 6 HA LEU 6 -2.349 -9.711 -4.705 34 HB2 LEU 6 2HB LEU 6 -3.086 -6.810 -5.084 35 HB3 LEU 6 1HB LEU 6 -2.125 -7.745 -6.205 36 HG LEU 6 HG LEU 6 -5.022 -8.246 -5.519 37 HD11 LEU 6 1HD1 LEU 6 -3.754 -7.125 -8.014 38 HD12 LEU 6 2HD1 LEU 6 -4.695 -6.217 -6.831 39 HD13 LEU 6 3HD1 LEU 6 -5.468 -7.477 -7.792 40 HD21 LEU 6 1HD2 LEU 6 -4.942 -9.838 -7.401 41 HD22 LEU 6 2HD2 LEU 6 -3.898 -10.317 -6.069 42 HD23 LEU 6 3HD2 LEU 6 -3.201 -9.586 -7.516 43 H ILE 7 H ILE 7 -0.229 -9.083 -5.160 44 HA ILE 7 HA ILE 7 1.136 -7.624 -3.026 45 HB ILE 7 HB ILE 7 2.106 -9.777 -4.921 46 HG12 ILE 7 2HG1 ILE 7 1.850 -9.661 -1.925 47 HG13 ILE 7 1HG1 ILE 7 0.789 -10.528 -3.001 48 HG21 ILE 7 1HG2 ILE 7 4.305 -9.633 -3.819 49 HG22 ILE 7 2HG2 ILE 7 3.749 -8.222 -2.916 50 HG23 ILE 7 3HG2 ILE 7 3.899 -8.141 -4.669 51 HD11 ILE 7 1HD1 ILE 7 3.714 -11.133 -2.700 52 HD12 ILE 7 2HD1 ILE 7 2.527 -12.078 -3.598 53 HD13 ILE 7 3HD1 ILE 7 2.431 -11.978 -1.841 54 H GLY 8 H GLY 8 1.804 -5.697 -3.544 55 HA2 GLY 8 2HA GLY 8 2.818 -3.971 -4.734 56 HA3 GLY 8 1HA GLY 8 3.084 -5.103 -6.050 57 H ASN 9 H ASN 9 0.408 -5.817 -6.453 58 HA ASN 9 HA ASN 9 -0.460 -3.571 -8.132 59 HB2 ASN 9 2HB ASN 9 -1.507 -6.404 -7.925 60 HB3 ASN 9 1HB ASN 9 -2.040 -5.219 -9.105 61 HD21 ASN 9 1HD2 ASN 9 0.437 -7.463 -8.209 62 HD22 ASN 9 2HD2 ASN 9 1.344 -7.362 -9.650 63 H GLU 10 H GLU 10 -0.820 -4.195 -5.163 64 HA GLU 10 HA GLU 10 -3.642 -4.359 -4.848 65 HB2 GLU 10 2HB GLU 10 -2.160 -5.620 -3.441 66 HB3 GLU 10 1HB GLU 10 -1.382 -4.170 -2.860 67 HG2 GLU 10 2HG GLU 10 -2.899 -5.056 -1.276 68 HG3 GLU 10 1HG GLU 10 -3.447 -3.474 -1.875 69 H ARG 11 H ARG 11 -3.958 -2.512 -5.985 70 HA ARG 11 HA ARG 11 -3.209 0.114 -5.460 71 HB2 ARG 11 2HB ARG 11 -4.314 -0.602 -7.499 72 HB3 ARG 11 1HB ARG 11 -5.784 -0.924 -6.598 73 HG2 ARG 11 2HG ARG 11 -6.087 1.420 -6.161 74 HG3 ARG 11 1HG ARG 11 -4.540 1.792 -6.928 75 HD2 ARG 11 2HD ARG 11 -6.887 0.489 -8.280 76 HD3 ARG 11 1HD ARG 11 -6.451 2.189 -8.435 77 HE ARG 11 HE ARG 11 -4.189 1.024 -9.177 78 HH11 ARG 11 1HH1 ARG 11 -7.515 0.326 -10.194 79 HH12 ARG 11 2HH1 ARG 11 -7.061 -0.291 -11.714 80 HH21 ARG 11 1HH2 ARG 11 -3.598 0.178 -11.275 81 HH22 ARG 11 2HH2 ARG 11 -4.786 -0.409 -12.325 82 H LEU 12 H LEU 12 -5.755 -1.793 -3.980 83 HA LEU 12 HA LEU 12 -7.023 0.333 -2.603 84 HB2 LEU 12 2HB LEU 12 -6.910 -2.605 -1.958 85 HB3 LEU 12 1HB LEU 12 -7.936 -1.462 -1.117 86 HG LEU 12 HG LEU 12 -8.130 -2.202 -4.039 87 HD11 LEU 12 1HD1 LEU 12 -9.923 -2.854 -1.709 88 HD12 LEU 12 2HD1 LEU 12 -8.869 -3.980 -2.561 89 HD13 LEU 12 3HD1 LEU 12 -10.237 -3.251 -3.398 90 HD21 LEU 12 1HD2 LEU 12 -10.201 -0.885 -4.005 91 HD22 LEU 12 2HD2 LEU 12 -8.788 0.110 -3.684 92 HD23 LEU 12 3HD2 LEU 12 -9.843 -0.377 -2.356 93 H CYS 13 H CYS 13 -4.103 -1.350 -2.045 94 HA CYS 13 HA CYS 13 -3.904 -0.396 0.668 95 HB2 CYS 13 2HB CYS 13 -2.978 -2.578 0.195 96 HB3 CYS 13 1HB CYS 13 -1.987 -1.921 -1.106 97 H VAL 14 H VAL 14 -2.406 0.131 -2.493 98 HA VAL 14 HA VAL 14 -0.450 2.001 -1.872 99 HB VAL 14 HB VAL 14 -2.120 2.120 -4.375 100 HG11 VAL 14 1HG1 VAL 14 -0.028 2.901 -5.425 101 HG12 VAL 14 2HG1 VAL 14 0.749 2.862 -3.843 102 HG13 VAL 14 3HG1 VAL 14 -0.594 3.966 -4.137 103 HG21 VAL 14 1HG2 VAL 14 -0.598 0.515 -5.397 104 HG22 VAL 14 2HG2 VAL 14 -1.420 -0.205 -4.015 105 HG23 VAL 14 3HG2 VAL 14 0.257 0.326 -3.868 106 H VAL 15 H VAL 15 -3.854 2.544 -2.663 107 HA VAL 15 HA VAL 15 -3.820 5.322 -2.765 108 HB VAL 15 HB VAL 15 -5.702 3.927 -3.569 109 HG11 VAL 15 1HG1 VAL 15 -6.416 3.601 -0.680 110 HG12 VAL 15 2HG1 VAL 15 -5.876 2.340 -1.787 111 HG13 VAL 15 3HG1 VAL 15 -7.431 3.138 -2.048 112 HG21 VAL 15 1HG2 VAL 15 -6.073 6.310 -3.277 113 HG22 VAL 15 2HG2 VAL 15 -6.530 6.050 -1.595 114 HG23 VAL 15 3HG2 VAL 15 -7.541 5.411 -2.890 115 H HIS 16 H HIS 16 -3.879 3.207 0.007 116 HA HIS 16 HA HIS 16 -4.723 5.206 1.870 117 HB2 HIS 16 2HB HIS 16 -5.101 2.805 2.359 118 HB3 HIS 16 1HB HIS 16 -3.369 2.537 2.314 119 HD1 HIS 16 1HD HIS 16 -5.970 4.304 4.416 120 HD2 HIS 16 2HD HIS 16 -2.060 2.942 4.618 121 HE1 HIS 16 1HE HIS 16 -5.235 4.598 6.834 122 H CYS 17 H CYS 17 -1.663 3.826 0.849 123 HA CYS 17 HA CYS 17 0.001 5.307 2.609 124 HB2 CYS 17 2HB CYS 17 0.627 4.291 -0.169 125 HB3 CYS 17 1HB CYS 17 1.785 4.743 1.078 126 H LEU 18 H LEU 18 -1.278 5.975 -0.616 127 HA LEU 18 HA LEU 18 0.030 8.456 -0.963 128 HB2 LEU 18 2HB LEU 18 -2.592 7.502 -2.121 129 HB3 LEU 18 1HB LEU 18 -1.672 8.875 -2.693 130 HG LEU 18 HG LEU 18 -0.787 5.991 -2.818 131 HD11 LEU 18 1HD1 LEU 18 -1.086 6.237 -5.226 132 HD12 LEU 18 2HD1 LEU 18 -1.707 7.868 -4.985 133 HD13 LEU 18 3HD1 LEU 18 -2.602 6.484 -4.360 134 HD21 LEU 18 1HD2 LEU 18 1.051 6.841 -4.198 135 HD22 LEU 18 2HD2 LEU 18 1.110 7.497 -2.563 136 HD23 LEU 18 3HD2 LEU 18 0.512 8.493 -3.893 137 H ALA 19 H ALA 19 -2.962 7.524 0.622 138 HA ALA 19 HA ALA 19 -3.977 10.133 1.052 139 HB1 ALA 19 1HB ALA 19 -4.462 7.629 2.672 140 HB2 ALA 19 2HB ALA 19 -5.371 8.106 1.239 141 HB3 ALA 19 3HB ALA 19 -5.448 9.092 2.703 142 H LYS 20 H LYS 20 -2.021 7.960 3.042 143 HA LYS 20 HA LYS 20 -1.774 9.785 5.186 144 HB2 LYS 20 2HB LYS 20 -0.197 7.324 4.480 145 HB3 LYS 20 1HB LYS 20 0.263 8.342 5.836 146 HG2 LYS 20 2HG LYS 20 -2.021 7.975 6.799 147 HG3 LYS 20 1HG LYS 20 -2.330 6.852 5.479 148 HD2 LYS 20 2HD LYS 20 -0.694 5.353 6.216 149 HD3 LYS 20 1HD LYS 20 0.035 6.535 7.315 150 HE2 LYS 20 2HE LYS 20 -2.721 5.324 7.585 151 HE3 LYS 20 1HE LYS 20 -1.292 4.792 8.464 152 HZ1 LYS 20 1HZ LYS 20 -1.173 6.964 9.511 153 HZ2 LYS 20 2HZ LYS 20 -2.668 6.264 9.805 154 HZ3 LYS 20 3HZ LYS 20 -2.534 7.498 8.683 155 H GLY 21 H GLY 21 -0.090 9.513 2.210 156 HA2 GLY 21 2HA GLY 21 0.815 11.714 1.501 157 HA3 GLY 21 1HA GLY 21 1.515 11.835 3.109 158 H PHE 22 H PHE 22 1.647 8.743 1.962 159 HA PHE 22 HA PHE 22 4.477 8.847 1.652 160 HB2 PHE 22 2HB PHE 22 2.402 6.743 1.708 161 HB3 PHE 22 1HB PHE 22 3.920 6.281 0.963 162 HD1 PHE 22 1HD PHE 22 2.207 7.075 4.058 163 HD2 PHE 22 2HD PHE 22 5.928 6.387 2.166 164 HE1 PHE 22 1HE PHE 22 3.247 6.671 6.248 165 HE2 PHE 22 2HE PHE 22 6.972 5.987 4.206 166 HZ PHE 22 HZ PHE 22 5.662 6.116 6.369 167 H ARG 23 H ARG 23 5.633 8.168 -0.166 168 HA ARG 23 HA ARG 23 4.679 9.264 -2.593 169 HB2 ARG 23 2HB ARG 23 7.109 7.562 -2.005 170 HB3 ARG 23 1HB ARG 23 6.800 8.362 -3.539 171 HG2 ARG 23 2HG ARG 23 7.102 9.788 -0.901 172 HG3 ARG 23 1HG ARG 23 8.383 9.600 -2.102 173 HD2 ARG 23 2HD ARG 23 5.735 10.987 -2.557 174 HD3 ARG 23 1HD ARG 23 7.266 11.794 -2.249 175 HE ARG 23 HE ARG 23 7.944 10.350 -4.305 176 HH11 ARG 23 1HH1 ARG 23 5.059 12.349 -3.870 177 HH12 ARG 23 2HH1 ARG 23 4.830 12.625 -5.536 178 HH21 ARG 23 1HH2 ARG 23 7.608 10.722 -6.578 179 HH22 ARG 23 2HH2 ARG 23 6.291 11.659 -7.102 180 H GLY 24 H GLY 24 4.274 6.272 -1.090 181 HA2 GLY 24 2HA GLY 24 2.339 5.377 -2.763 182 HA3 GLY 24 1HA GLY 24 3.833 4.758 -3.468 183 H GLY 25 H GLY 25 2.540 2.743 -2.833 184 HA2 GLY 25 2HA GLY 25 3.746 1.729 -0.474 185 HA3 GLY 25 1HA GLY 25 1.990 1.892 -0.338 186 H TRP 26 H TRP 26 3.481 -0.520 -0.283 187 HA TRP 26 HA TRP 26 2.302 -1.832 -2.584 188 HB2 TRP 26 2HB TRP 26 4.326 -2.910 -3.276 189 HB3 TRP 26 1HB TRP 26 4.675 -1.188 -3.194 190 HD1 TRP 26 HD TRP 26 5.908 -4.491 -1.965 191 HE1 TRP 26 1HE TRP 26 7.839 -4.176 -0.266 192 HE3 TRP 26 3HE TRP 26 5.488 0.505 -1.164 193 HZ2 TRP 26 2HZ TRP 26 8.993 -2.116 1.204 194 HZ3 TRP 26 3HZ TRP 26 7.017 1.598 0.411 195 HH2 TRP 26 HH TRP 26 8.758 0.301 1.581 196 H CYS 27 H CYS 27 1.854 -3.928 -2.131 197 HA CYS 27 HA CYS 27 2.336 -4.833 0.568 198 HB2 CYS 27 2HB CYS 27 0.865 -6.081 -1.751 199 HB3 CYS 27 1HB CYS 27 1.027 -6.836 -0.163 200 H ASP 28 H ASP 28 3.911 -6.167 1.059 201 HA ASP 28 HA ASP 28 5.713 -6.888 -1.095 202 HB2 ASP 28 2HB ASP 28 7.390 -7.354 0.561 203 HB3 ASP 28 1HB ASP 28 6.562 -5.908 1.084 204 H SER 29 H SER 29 6.847 -9.176 -0.416 205 HA SER 29 HA SER 29 5.173 -11.083 -1.488 206 HB2 SER 29 2HB SER 29 7.663 -11.117 -1.497 207 HB3 SER 29 1HB SER 29 7.623 -11.616 0.191 208 HG SER 29 HG SER 29 6.579 -12.975 -2.049 209 H ARG 30 H ARG 30 5.542 -10.201 1.877 210 HA ARG 30 HA ARG 30 4.343 -12.645 2.898 211 HB2 ARG 30 2HB ARG 30 5.020 -10.045 4.249 212 HB3 ARG 30 1HB ARG 30 4.526 -11.517 5.064 213 HG2 ARG 30 2HG ARG 30 6.544 -12.599 4.538 214 HG3 ARG 30 1HG ARG 30 6.970 -11.379 3.329 215 HD2 ARG 30 2HD ARG 30 6.749 -10.932 6.301 216 HD3 ARG 30 1HD ARG 30 8.247 -11.026 5.359 217 HE ARG 30 HE ARG 30 6.688 -9.101 4.158 218 HH11 ARG 30 1HH1 ARG 30 8.335 -9.438 7.274 219 HH12 ARG 30 2HH1 ARG 30 8.431 -7.762 7.554 220 HH21 ARG 30 1HH2 ARG 30 6.721 -6.887 4.563 221 HH22 ARG 30 2HH2 ARG 30 7.459 -6.243 5.967 222 H LYS 31 H LYS 31 3.010 -10.242 1.213 223 HA LYS 31 HA LYS 31 0.933 -9.364 0.929 224 HB2 LYS 31 2HB LYS 31 0.113 -11.367 3.064 225 HB3 LYS 31 1HB LYS 31 -1.015 -10.414 2.130 226 HG2 LYS 31 2HG LYS 31 0.891 -12.414 0.917 227 HG3 LYS 31 1HG LYS 31 -0.749 -12.806 1.413 228 HD2 LYS 31 2HD LYS 31 -1.589 -11.080 -0.180 229 HD3 LYS 31 1HD LYS 31 0.074 -10.816 -0.716 230 HE2 LYS 31 2HE LYS 31 0.236 -13.148 -1.424 231 HE3 LYS 31 1HE LYS 31 -1.395 -13.456 -0.845 232 HZ1 LYS 31 1HZ LYS 31 -2.245 -11.934 -2.573 233 HZ2 LYS 31 2HZ LYS 31 -1.296 -13.150 -3.244 234 HZ3 LYS 31 3HZ LYS 31 -0.666 -11.636 -3.098 235 H VAL 32 H VAL 32 2.799 -8.183 2.703 236 HA VAL 32 HA VAL 32 1.077 -6.887 4.730 237 HB VAL 32 HB VAL 32 4.110 -6.935 4.544 238 HG11 VAL 32 1HG1 VAL 32 2.315 -5.922 6.747 239 HG12 VAL 32 2HG1 VAL 32 3.270 -4.932 5.647 240 HG13 VAL 32 3HG1 VAL 32 4.076 -5.990 6.806 241 HG21 VAL 32 1HG2 VAL 32 3.231 -9.142 5.106 242 HG22 VAL 32 2HG2 VAL 32 2.330 -8.432 6.450 243 HG23 VAL 32 3HG2 VAL 32 4.094 -8.413 6.460 244 H CYS 33 H CYS 33 0.615 -4.838 4.514 245 HA CYS 33 HA CYS 33 1.423 -3.404 2.186 246 HB2 CYS 33 2HB CYS 33 -0.349 -2.850 4.528 247 HB3 CYS 33 1HB CYS 33 0.224 -1.531 3.516 248 H ASN 34 H ASN 34 3.136 -2.151 2.010 249 HA ASN 34 HA ASN 34 4.237 -0.913 4.425 250 HB2 ASN 34 2HB ASN 34 5.896 -1.885 2.073 251 HB3 ASN 34 1HB ASN 34 6.489 -1.225 3.587 252 HD21 ASN 34 1HD2 ASN 34 5.284 -3.966 1.949 253 HD22 ASN 34 2HD2 ASN 34 5.584 -5.148 3.167 254 H CYS 35 H CYS 35 4.723 1.250 4.069 255 HA CYS 35 HA CYS 35 4.016 2.229 1.384 256 HB2 CYS 35 2HB CYS 35 3.779 3.675 4.024 257 HB3 CYS 35 1HB CYS 35 3.271 4.292 2.463 258 H ARG 36 H ARG 36 5.438 3.367 0.250 259 HA ARG 36 HA ARG 36 7.245 5.248 0.903 260 HB2 ARG 36 2HB ARG 36 8.432 3.560 2.313 261 HB3 ARG 36 1HB ARG 36 8.655 2.564 0.885 262 HG2 ARG 36 2HG ARG 36 10.049 4.295 -0.108 263 HG3 ARG 36 1HG ARG 36 9.828 5.296 1.332 264 HD2 ARG 36 2HD ARG 36 10.876 3.582 2.706 265 HD3 ARG 36 1HD ARG 36 11.064 2.540 1.296 266 HE ARG 36 HE ARG 36 12.259 5.103 0.996 267 HH11 ARG 36 1HH1 ARG 36 12.822 1.865 2.383 268 HH12 ARG 36 2HH1 ARG 36 14.506 1.925 2.236 269 HH21 ARG 36 1HH2 ARG 36 14.638 5.191 0.833 270 HH22 ARG 36 2HH2 ARG 36 15.557 3.855 1.338 271 H ARG 37 H ARG 37 6.468 2.448 -1.077 272 HA ARG 37 HA ARG 37 7.713 3.724 -3.400 273 HB2 ARG 37 2HB ARG 37 7.538 0.766 -2.897 274 HB3 ARG 37 1HB ARG 37 8.376 1.568 -4.217 275 HG2 ARG 37 2HG ARG 37 9.938 2.532 -2.556 276 HG3 ARG 37 1HG ARG 37 9.091 1.610 -1.311 277 HD2 ARG 37 2HD ARG 37 10.561 0.469 -3.689 278 HD3 ARG 37 1HD ARG 37 11.063 0.440 -1.994 279 HE ARG 37 HE ARG 37 8.723 -0.795 -1.874 280 HH11 ARG 37 1HH1 ARG 37 11.435 -1.274 -4.112 281 HH12 ARG 37 2HH1 ARG 37 11.201 -2.948 -4.240 282 HH21 ARG 37 1HH2 ARG 37 8.416 -3.140 -2.096 283 HH22 ARG 37 2HH2 ARG 37 9.485 -4.007 -3.107 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -8.112 0.926 5.405 2 H2 GLY 1 2HT GLY 1 -6.800 0.752 6.442 3 H3 GLY 1 3HT GLY 1 -8.352 0.888 7.081 4 HA2 GLY 1 1HA GLY 1 -7.621 -1.395 7.173 5 HA3 GLY 1 2HA GLY 1 -8.961 -1.213 6.053 6 H ILE 2 H ILE 2 -5.483 -1.624 6.337 7 HA ILE 2 HA ILE 2 -5.308 -2.030 3.497 8 HB ILE 2 HB ILE 2 -2.838 -2.202 3.955 9 HG12 ILE 2 2HG1 ILE 2 -3.721 -1.305 6.717 10 HG13 ILE 2 1HG1 ILE 2 -2.832 -2.763 6.314 11 HG21 ILE 2 1HG2 ILE 2 -4.259 0.346 4.675 12 HG22 ILE 2 2HG2 ILE 2 -3.844 -0.212 3.056 13 HG23 ILE 2 3HG2 ILE 2 -2.568 0.222 4.191 14 HD11 ILE 2 1HD1 ILE 2 -0.931 -1.372 5.624 15 HD12 ILE 2 2HD1 ILE 2 -1.380 -1.127 7.310 16 HD13 ILE 2 3HD1 ILE 2 -1.846 0.063 6.087 17 H THR 3 H THR 3 -5.388 -3.882 2.624 18 HA THR 3 HA THR 3 -4.691 -6.333 4.048 19 HB THR 3 HB THR 3 -7.196 -5.891 2.424 20 HG1 THR 3 1HG THR 3 -7.034 -6.254 5.248 21 HG21 THR 3 1HG2 THR 3 -6.400 -8.213 2.438 22 HG22 THR 3 2HG2 THR 3 -7.899 -8.080 3.359 23 HG23 THR 3 3HG2 THR 3 -6.354 -8.200 4.201 24 H CYS 4 H CYS 4 -3.819 -7.824 2.526 25 HA CYS 4 HA CYS 4 -3.595 -6.722 -0.165 26 HB2 CYS 4 2HB CYS 4 -1.606 -8.418 1.302 27 HB3 CYS 4 1HB CYS 4 -1.428 -7.780 -0.331 28 H ASP 5 H ASP 5 -4.923 -7.729 -1.413 29 HA ASP 5 HA ASP 5 -5.184 -10.631 -1.259 30 HB2 ASP 5 2HB ASP 5 -7.191 -9.125 -1.618 31 HB3 ASP 5 1HB ASP 5 -6.476 -8.656 -3.155 32 H LEU 6 H LEU 6 -3.948 -7.971 -3.125 33 HA LEU 6 HA LEU 6 -2.551 -9.819 -4.896 34 HB2 LEU 6 2HB LEU 6 -3.140 -6.866 -5.254 35 HB3 LEU 6 1HB LEU 6 -2.251 -7.848 -6.392 36 HG LEU 6 HG LEU 6 -5.163 -8.180 -5.686 37 HD11 LEU 6 1HD1 LEU 6 -3.815 -7.135 -8.164 38 HD12 LEU 6 2HD1 LEU 6 -4.717 -6.180 -6.987 39 HD13 LEU 6 3HD1 LEU 6 -5.547 -7.395 -7.959 40 HD21 LEU 6 1HD2 LEU 6 -3.422 -9.622 -7.680 41 HD22 LEU 6 2HD2 LEU 6 -5.173 -9.753 -7.582 42 HD23 LEU 6 3HD2 LEU 6 -4.174 -10.321 -6.243 43 H ILE 7 H ILE 7 -0.452 -9.035 -5.456 44 HA ILE 7 HA ILE 7 0.987 -7.916 -3.158 45 HB ILE 7 HB ILE 7 1.962 -9.862 -5.279 46 HG12 ILE 7 2HG1 ILE 7 1.428 -10.228 -2.327 47 HG13 ILE 7 1HG1 ILE 7 0.465 -10.879 -3.640 48 HG21 ILE 7 1HG2 ILE 7 3.765 -8.354 -4.599 49 HG22 ILE 7 2HG2 ILE 7 4.052 -9.981 -3.980 50 HG23 ILE 7 3HG2 ILE 7 3.450 -8.722 -2.903 51 HD11 ILE 7 1HD1 ILE 7 1.895 -12.575 -2.645 52 HD12 ILE 7 2HD1 ILE 7 3.314 -11.598 -3.043 53 HD13 ILE 7 3HD1 ILE 7 2.320 -12.278 -4.333 54 H GLY 8 H GLY 8 1.603 -5.975 -3.531 55 HA2 GLY 8 2HA GLY 8 2.616 -4.137 -4.556 56 HA3 GLY 8 1HA GLY 8 2.948 -5.162 -5.943 57 H ASN 9 H ASN 9 0.230 -5.886 -6.392 58 HA ASN 9 HA ASN 9 -0.563 -3.553 -7.988 59 HB2 ASN 9 2HB ASN 9 -1.564 -6.406 -7.947 60 HB3 ASN 9 1HB ASN 9 -2.199 -5.159 -9.004 61 HD21 ASN 9 1HD2 ASN 9 -1.650 -6.415 -10.757 62 HD22 ASN 9 2HD2 ASN 9 -0.037 -6.545 -11.318 63 H GLU 10 H GLU 10 -0.974 -4.178 -5.082 64 HA GLU 10 HA GLU 10 -3.814 -4.322 -4.860 65 HB2 GLU 10 2HB GLU 10 -2.438 -5.719 -3.470 66 HB3 GLU 10 1HB GLU 10 -1.638 -4.328 -2.776 67 HG2 GLU 10 2HG GLU 10 -3.259 -5.204 -1.313 68 HG3 GLU 10 1HG GLU 10 -3.743 -3.593 -1.881 69 H ARG 11 H ARG 11 -4.045 -2.386 -5.900 70 HA ARG 11 HA ARG 11 -3.211 0.151 -5.109 71 HB2 ARG 11 2HB ARG 11 -5.773 -0.632 -6.461 72 HB3 ARG 11 1HB ARG 11 -5.224 1.027 -6.281 73 HG2 ARG 11 2HG ARG 11 -3.801 -1.158 -7.788 74 HG3 ARG 11 1HG ARG 11 -4.734 0.162 -8.497 75 HD2 ARG 11 2HD ARG 11 -2.217 0.444 -6.848 76 HD3 ARG 11 1HD ARG 11 -2.340 0.624 -8.590 77 HE ARG 11 HE ARG 11 -4.149 2.393 -7.416 78 HH11 ARG 11 1HH1 ARG 11 -0.654 1.948 -7.584 79 HH12 ARG 11 2HH1 ARG 11 -0.276 3.598 -7.527 80 HH21 ARG 11 1HH2 ARG 11 -3.666 4.686 -7.297 81 HH22 ARG 11 2HH2 ARG 11 -2.039 5.195 -7.369 82 H LEU 12 H LEU 12 -5.758 -1.809 -3.763 83 HA LEU 12 HA LEU 12 -7.093 0.214 -2.304 84 HB2 LEU 12 2HB LEU 12 -6.757 -2.698 -1.622 85 HB3 LEU 12 1HB LEU 12 -7.898 -1.608 -0.865 86 HG LEU 12 HG LEU 12 -7.928 -2.495 -3.742 87 HD11 LEU 12 1HD1 LEU 12 -9.737 -3.134 -1.432 88 HD12 LEU 12 2HD1 LEU 12 -8.572 -4.224 -2.187 89 HD13 LEU 12 3HD1 LEU 12 -9.959 -3.642 -3.107 90 HD21 LEU 12 1HD2 LEU 12 -8.752 -0.218 -3.558 91 HD22 LEU 12 2HD2 LEU 12 -9.799 -0.685 -2.221 92 HD23 LEU 12 3HD2 LEU 12 -10.100 -1.323 -3.838 93 H CYS 13 H CYS 13 -4.146 -1.475 -1.794 94 HA CYS 13 HA CYS 13 -3.916 -0.536 0.917 95 HB2 CYS 13 2HB CYS 13 -3.074 -2.739 0.450 96 HB3 CYS 13 1HB CYS 13 -2.097 -2.141 -0.888 97 H VAL 14 H VAL 14 -2.437 -0.037 -2.242 98 HA VAL 14 HA VAL 14 -0.470 1.831 -1.583 99 HB VAL 14 HB VAL 14 -2.037 1.780 -4.162 100 HG11 VAL 14 1HG1 VAL 14 0.775 2.706 -3.590 101 HG12 VAL 14 2HG1 VAL 14 -0.612 3.731 -3.962 102 HG13 VAL 14 3HG1 VAL 14 0.027 2.634 -5.187 103 HG21 VAL 14 1HG2 VAL 14 -1.247 -0.461 -3.648 104 HG22 VAL 14 2HG2 VAL 14 0.392 0.152 -3.411 105 HG23 VAL 14 3HG2 VAL 14 -0.357 0.212 -5.008 106 H VAL 15 H VAL 15 -3.893 2.329 -2.323 107 HA VAL 15 HA VAL 15 -3.806 5.112 -2.546 108 HB VAL 15 HB VAL 15 -5.690 3.665 -3.316 109 HG11 VAL 15 1HG1 VAL 15 -7.487 3.071 -1.770 110 HG12 VAL 15 2HG1 VAL 15 -6.480 3.611 -0.425 111 HG13 VAL 15 3HG1 VAL 15 -5.972 2.239 -1.411 112 HG21 VAL 15 1HG2 VAL 15 -7.470 5.264 -2.837 113 HG22 VAL 15 2HG2 VAL 15 -5.945 6.082 -3.205 114 HG23 VAL 15 3HG2 VAL 15 -6.495 5.938 -1.533 115 H HIS 16 H HIS 16 -3.807 3.073 0.256 116 HA HIS 16 HA HIS 16 -4.632 5.032 2.173 117 HB2 HIS 16 2HB HIS 16 -4.798 2.664 2.727 118 HB3 HIS 16 1HB HIS 16 -3.090 2.433 2.413 119 HD1 HIS 16 1HD HIS 16 -5.442 3.807 5.022 120 HD2 HIS 16 2HD HIS 16 -1.403 3.001 4.500 121 HE1 HIS 16 1HE HIS 16 -4.383 4.059 7.291 122 H CYS 17 H CYS 17 -1.598 3.864 0.930 123 HA CYS 17 HA CYS 17 0.163 5.390 2.516 124 HB2 CYS 17 2HB CYS 17 0.558 4.498 -0.331 125 HB3 CYS 17 1HB CYS 17 1.797 4.803 0.883 126 H LEU 18 H LEU 18 -1.314 5.952 -0.653 127 HA LEU 18 HA LEU 18 -0.132 8.479 -1.118 128 HB2 LEU 18 2HB LEU 18 -2.718 7.365 -2.203 129 HB3 LEU 18 1HB LEU 18 -1.839 8.730 -2.858 130 HG LEU 18 HG LEU 18 -0.891 5.864 -2.822 131 HD11 LEU 18 1HD1 LEU 18 -1.155 5.985 -5.244 132 HD12 LEU 18 2HD1 LEU 18 -1.823 7.609 -5.088 133 HD13 LEU 18 3HD1 LEU 18 -2.686 6.231 -4.404 134 HD21 LEU 18 1HD2 LEU 18 0.958 6.678 -4.231 135 HD22 LEU 18 2HD2 LEU 18 0.992 7.388 -2.619 136 HD23 LEU 18 3HD2 LEU 18 0.399 8.334 -3.984 137 H ALA 19 H ALA 19 -3.006 7.437 0.568 138 HA ALA 19 HA ALA 19 -4.295 9.915 0.863 139 HB1 ALA 19 1HB ALA 19 -5.395 7.774 1.339 140 HB2 ALA 19 2HB ALA 19 -5.472 8.866 2.728 141 HB3 ALA 19 3HB ALA 19 -4.318 7.537 2.713 142 H LYS 20 H LYS 20 -2.058 8.167 2.964 143 HA LYS 20 HA LYS 20 -1.964 10.216 4.907 144 HB2 LYS 20 2HB LYS 20 -0.118 7.905 4.376 145 HB3 LYS 20 1HB LYS 20 0.149 9.045 5.687 146 HG2 LYS 20 2HG LYS 20 -2.096 8.451 6.581 147 HG3 LYS 20 1HG LYS 20 -2.229 7.221 5.331 148 HD2 LYS 20 2HD LYS 20 -0.370 6.030 6.181 149 HD3 LYS 20 1HD LYS 20 0.050 7.335 7.288 150 HE2 LYS 20 2HE LYS 20 -2.476 5.681 7.391 151 HE3 LYS 20 1HE LYS 20 -1.075 5.480 8.439 152 HZ1 LYS 20 1HZ LYS 20 -2.794 6.746 9.535 153 HZ2 LYS 20 2HZ LYS 20 -2.808 7.894 8.308 154 HZ3 LYS 20 3HZ LYS 20 -1.445 7.725 9.279 155 H GLY 21 H GLY 21 -0.026 9.582 2.087 156 HA2 GLY 21 2HA GLY 21 0.780 11.747 1.072 157 HA3 GLY 21 1HA GLY 21 1.418 12.103 2.673 158 H PHE 22 H PHE 22 1.510 8.938 1.304 159 HA PHE 22 HA PHE 22 4.381 9.000 1.380 160 HB2 PHE 22 2HB PHE 22 2.323 6.870 1.239 161 HB3 PHE 22 1HB PHE 22 3.935 6.451 0.678 162 HD1 PHE 22 1HD PHE 22 1.815 7.059 3.509 163 HD2 PHE 22 2HD PHE 22 5.807 6.747 2.140 164 HE1 PHE 22 1HE PHE 22 2.576 6.703 5.818 165 HE2 PHE 22 2HE PHE 22 6.593 6.392 4.326 166 HZ PHE 22 HZ PHE 22 4.986 6.362 6.269 167 H ARG 23 H ARG 23 5.632 8.206 -0.322 168 HA ARG 23 HA ARG 23 4.856 9.243 -2.833 169 HB2 ARG 23 2HB ARG 23 7.212 9.192 -2.034 170 HB3 ARG 23 1HB ARG 23 7.193 7.439 -2.146 171 HG2 ARG 23 2HG ARG 23 8.326 8.501 -4.044 172 HG3 ARG 23 1HG ARG 23 6.922 7.558 -4.547 173 HD2 ARG 23 2HD ARG 23 7.024 9.705 -5.724 174 HD3 ARG 23 1HD ARG 23 5.594 9.595 -4.705 175 HE ARG 23 HE ARG 23 7.949 10.885 -3.613 176 HH11 ARG 23 1HH1 ARG 23 4.697 11.292 -5.016 177 HH12 ARG 23 2HH1 ARG 23 4.521 12.899 -4.500 178 HH21 ARG 23 1HH2 ARG 23 7.702 13.111 -2.933 179 HH22 ARG 23 2HH2 ARG 23 6.286 13.971 -3.317 180 H GLY 24 H GLY 24 4.437 6.267 -1.210 181 HA2 GLY 24 2HA GLY 24 2.523 5.312 -2.871 182 HA3 GLY 24 1HA GLY 24 4.028 4.716 -3.562 183 H GLY 25 H GLY 25 2.515 2.816 -2.893 184 HA2 GLY 25 2HA GLY 25 3.698 1.738 -0.502 185 HA3 GLY 25 1HA GLY 25 1.938 1.834 -0.556 186 H TRP 26 H TRP 26 3.109 -0.597 -0.346 187 HA TRP 26 HA TRP 26 2.092 -1.872 -2.666 188 HB2 TRP 26 2HB TRP 26 4.092 -2.967 -3.434 189 HB3 TRP 26 1HB TRP 26 4.412 -1.243 -3.426 190 HD1 TRP 26 HD TRP 26 5.963 -4.410 -2.481 191 HE1 TRP 26 1HE TRP 26 7.970 -4.042 -0.887 192 HE3 TRP 26 3HE TRP 26 5.076 0.408 -1.102 193 HZ2 TRP 26 2HZ TRP 26 8.998 -2.042 0.716 194 HZ3 TRP 26 3HZ TRP 26 6.580 1.511 0.468 195 HH2 TRP 26 HH TRP 26 8.537 0.320 1.362 196 H CYS 27 H CYS 27 1.843 -4.043 -2.300 197 HA CYS 27 HA CYS 27 2.246 -4.922 0.442 198 HB2 CYS 27 2HB CYS 27 0.788 -6.164 -1.889 199 HB3 CYS 27 1HB CYS 27 0.915 -6.886 -0.286 200 H ASP 28 H ASP 28 3.961 -6.110 0.872 201 HA ASP 28 HA ASP 28 5.606 -6.938 -1.356 202 HB2 ASP 28 2HB ASP 28 7.386 -7.342 0.228 203 HB3 ASP 28 1HB ASP 28 6.549 -5.916 0.753 204 H SER 29 H SER 29 6.730 -9.267 -0.786 205 HA SER 29 HA SER 29 4.974 -11.130 -1.727 206 HB2 SER 29 2HB SER 29 7.474 -11.660 -0.144 207 HB3 SER 29 1HB SER 29 6.775 -12.651 -1.430 208 HG SER 29 HG SER 29 8.572 -11.174 -1.963 209 H ARG 30 H ARG 30 5.562 -10.250 1.628 210 HA ARG 30 HA ARG 30 4.428 -12.685 2.739 211 HB2 ARG 30 2HB ARG 30 5.147 -10.069 4.038 212 HB3 ARG 30 1HB ARG 30 4.732 -11.551 4.879 213 HG2 ARG 30 2HG ARG 30 6.743 -12.581 4.239 214 HG3 ARG 30 1HG ARG 30 7.075 -11.338 3.023 215 HD2 ARG 30 2HD ARG 30 6.996 -10.942 6.013 216 HD3 ARG 30 1HD ARG 30 8.444 -10.938 4.995 217 HE ARG 30 HE ARG 30 6.864 -9.066 3.857 218 HH11 ARG 30 1HH1 ARG 30 8.096 -9.445 7.152 219 HH12 ARG 30 2HH1 ARG 30 8.024 -7.778 7.507 220 HH21 ARG 30 1HH2 ARG 30 6.724 -6.861 4.340 221 HH22 ARG 30 2HH2 ARG 30 7.237 -6.242 5.855 222 H LYS 31 H LYS 31 3.026 -10.213 1.157 223 HA LYS 31 HA LYS 31 0.937 -9.362 0.986 224 HB2 LYS 31 2HB LYS 31 0.290 -11.418 3.105 225 HB3 LYS 31 1HB LYS 31 -0.922 -10.345 2.435 226 HG2 LYS 31 2HG LYS 31 0.708 -12.327 0.861 227 HG3 LYS 31 1HG LYS 31 -0.946 -12.584 1.413 228 HD2 LYS 31 2HD LYS 31 -1.543 -10.468 0.135 229 HD3 LYS 31 1HD LYS 31 0.061 -10.571 -0.590 230 HE2 LYS 31 2HE LYS 31 -1.577 -11.579 -2.055 231 HE3 LYS 31 1HE LYS 31 -0.488 -12.814 -1.423 232 HZ1 LYS 31 1HZ LYS 31 -2.181 -13.461 0.169 233 HZ2 LYS 31 2HZ LYS 31 -2.826 -13.515 -1.384 234 HZ3 LYS 31 3HZ LYS 31 -3.210 -12.242 -0.359 235 H VAL 32 H VAL 32 2.946 -8.345 2.821 236 HA VAL 32 HA VAL 32 1.322 -6.993 4.851 237 HB VAL 32 HB VAL 32 4.331 -7.008 4.441 238 HG11 VAL 32 1HG1 VAL 32 3.571 -4.981 5.566 239 HG12 VAL 32 2HG1 VAL 32 4.464 -6.022 6.675 240 HG13 VAL 32 3HG1 VAL 32 2.705 -5.955 6.756 241 HG21 VAL 32 1HG2 VAL 32 4.421 -8.458 6.402 242 HG22 VAL 32 2HG2 VAL 32 3.491 -9.202 5.096 243 HG23 VAL 32 3HG2 VAL 32 2.659 -8.476 6.469 244 H CYS 33 H CYS 33 0.809 -4.961 4.715 245 HA CYS 33 HA CYS 33 1.372 -3.491 2.330 246 HB2 CYS 33 2HB CYS 33 -0.364 -3.085 4.726 247 HB3 CYS 33 1HB CYS 33 0.117 -1.694 3.758 248 H ASN 34 H ASN 34 3.035 -2.217 2.055 249 HA ASN 34 HA ASN 34 4.220 -0.924 4.414 250 HB2 ASN 34 2HB ASN 34 5.796 -1.818 1.981 251 HB3 ASN 34 1HB ASN 34 6.433 -1.182 3.487 252 HD21 ASN 34 1HD2 ASN 34 5.271 -3.903 1.811 253 HD22 ASN 34 2HD2 ASN 34 5.621 -5.120 2.977 254 H CYS 35 H CYS 35 4.442 1.256 4.127 255 HA CYS 35 HA CYS 35 4.094 2.324 1.381 256 HB2 CYS 35 2HB CYS 35 3.394 3.694 3.990 257 HB3 CYS 35 1HB CYS 35 3.043 4.266 2.372 258 H ARG 36 H ARG 36 5.596 3.521 0.568 259 HA ARG 36 HA ARG 36 7.306 5.230 1.888 260 HB2 ARG 36 2HB ARG 36 8.176 3.209 3.047 261 HB3 ARG 36 1HB ARG 36 8.590 2.518 1.488 262 HG2 ARG 36 2HG ARG 36 10.183 4.295 1.109 263 HG3 ARG 36 1HG ARG 36 9.755 5.025 2.659 264 HD2 ARG 36 2HD ARG 36 10.465 2.980 3.803 265 HD3 ARG 36 1HD ARG 36 10.904 2.281 2.243 266 HE ARG 36 HE ARG 36 12.201 4.718 2.550 267 HH11 ARG 36 1HH1 ARG 36 12.284 1.431 3.860 268 HH12 ARG 36 2HH1 ARG 36 13.917 1.466 4.302 269 HH21 ARG 36 1HH2 ARG 36 14.492 4.784 3.137 270 HH22 ARG 36 2HH2 ARG 36 15.204 3.428 3.855 271 H ARG 37 H ARG 37 7.654 2.609 -0.437 272 HA ARG 37 HA ARG 37 9.374 4.116 -2.086 273 HB2 ARG 37 2HB ARG 37 9.807 2.050 -3.183 274 HB3 ARG 37 1HB ARG 37 9.268 1.673 -1.537 275 HG2 ARG 37 2HG ARG 37 7.275 0.924 -2.127 276 HG3 ARG 37 1HG ARG 37 7.348 1.556 -3.792 277 HD2 ARG 37 2HD ARG 37 9.031 -0.644 -2.580 278 HD3 ARG 37 1HD ARG 37 7.684 -0.877 -3.687 279 HE ARG 37 HE ARG 37 9.582 0.814 -4.873 280 HH11 ARG 37 1HH1 ARG 37 9.203 -2.557 -3.911 281 HH12 ARG 37 2HH1 ARG 37 10.206 -3.167 -5.133 282 HH21 ARG 37 1HH2 ARG 37 10.942 0.004 -6.546 283 HH22 ARG 37 2HH2 ARG 37 11.230 -1.675 -6.687 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -9.685 -2.703 5.804 2 H2 GLY 1 2HT GLY 1 -9.706 -1.200 5.066 3 H3 GLY 1 3HT GLY 1 -10.139 -1.331 6.706 4 HA2 GLY 1 1HA GLY 1 -7.950 -0.422 6.522 5 HA3 GLY 1 2HA GLY 1 -7.860 -2.055 7.183 6 H ILE 2 H ILE 2 -5.597 -1.905 6.353 7 HA ILE 2 HA ILE 2 -5.476 -2.147 3.488 8 HB ILE 2 HB ILE 2 -2.956 -2.196 3.901 9 HG12 ILE 2 2HG1 ILE 2 -3.879 -1.258 6.629 10 HG13 ILE 2 1HG1 ILE 2 -2.964 -2.716 6.277 11 HG21 ILE 2 1HG2 ILE 2 -2.848 0.235 4.073 12 HG22 ILE 2 2HG2 ILE 2 -4.527 0.261 4.603 13 HG23 ILE 2 3HG2 ILE 2 -4.126 -0.295 2.978 14 HD11 ILE 2 1HD1 ILE 2 -1.538 -1.005 7.223 15 HD12 ILE 2 2HD1 ILE 2 -2.017 0.118 5.948 16 HD13 ILE 2 3HD1 ILE 2 -1.073 -1.311 5.547 17 H THR 3 H THR 3 -5.451 -3.934 2.526 18 HA THR 3 HA THR 3 -4.649 -6.405 3.855 19 HB THR 3 HB THR 3 -7.159 -6.004 2.219 20 HG1 THR 3 1HG THR 3 -6.635 -5.687 4.932 21 HG21 THR 3 1HG2 THR 3 -6.267 -8.312 3.968 22 HG22 THR 3 2HG2 THR 3 -6.265 -8.294 2.205 23 HG23 THR 3 3HG2 THR 3 -7.792 -8.225 3.084 24 H CYS 4 H CYS 4 -4.021 -8.000 2.181 25 HA CYS 4 HA CYS 4 -3.562 -6.678 -0.367 26 HB2 CYS 4 2HB CYS 4 -1.698 -8.536 1.076 27 HB3 CYS 4 1HB CYS 4 -1.422 -7.816 -0.508 28 H ASP 5 H ASP 5 -5.109 -7.571 -1.573 29 HA ASP 5 HA ASP 5 -5.343 -10.474 -1.650 30 HB2 ASP 5 2HB ASP 5 -7.395 -9.133 -2.008 31 HB3 ASP 5 1HB ASP 5 -6.609 -8.327 -3.363 32 H LEU 6 H LEU 6 -4.068 -7.759 -3.340 33 HA LEU 6 HA LEU 6 -2.647 -9.508 -5.187 34 HB2 LEU 6 2HB LEU 6 -3.174 -6.537 -5.305 35 HB3 LEU 6 1HB LEU 6 -2.355 -7.489 -6.528 36 HG LEU 6 HG LEU 6 -5.264 -7.708 -5.765 37 HD11 LEU 6 1HD1 LEU 6 -3.949 -6.539 -8.212 38 HD12 LEU 6 2HD1 LEU 6 -4.762 -5.638 -6.934 39 HD13 LEU 6 3HD1 LEU 6 -5.684 -6.729 -7.966 40 HD21 LEU 6 1HD2 LEU 6 -3.706 -9.072 -7.960 41 HD22 LEU 6 2HD2 LEU 6 -5.449 -9.170 -7.716 42 HD23 LEU 6 3HD2 LEU 6 -4.354 -9.846 -6.513 43 H ILE 7 H ILE 7 -0.474 -9.135 -5.324 44 HA ILE 7 HA ILE 7 0.720 -7.746 -3.054 45 HB ILE 7 HB ILE 7 1.922 -9.868 -4.866 46 HG12 ILE 7 2HG1 ILE 7 1.161 -9.923 -1.940 47 HG13 ILE 7 1HG1 ILE 7 0.282 -10.702 -3.241 48 HG21 ILE 7 1HG2 ILE 7 3.185 -8.445 -2.519 49 HG22 ILE 7 2HG2 ILE 7 3.654 -8.282 -4.211 50 HG23 ILE 7 3HG2 ILE 7 3.880 -9.821 -3.377 51 HD11 ILE 7 1HD1 ILE 7 1.619 -12.306 -1.998 52 HD12 ILE 7 2HD1 ILE 7 3.076 -11.373 -2.348 53 HD13 ILE 7 3HD1 ILE 7 2.201 -12.162 -3.659 54 H GLY 8 H GLY 8 1.478 -5.842 -3.430 55 HA2 GLY 8 2HA GLY 8 2.778 -4.177 -4.434 56 HA3 GLY 8 1HA GLY 8 3.032 -5.253 -5.802 57 H ASN 9 H ASN 9 0.367 -5.772 -6.392 58 HA ASN 9 HA ASN 9 -0.268 -3.367 -7.966 59 HB2 ASN 9 2HB ASN 9 -1.469 -6.149 -8.020 60 HB3 ASN 9 1HB ASN 9 -1.845 -4.863 -9.154 61 HD21 ASN 9 1HD2 ASN 9 -0.752 -7.527 -9.608 62 HD22 ASN 9 2HD2 ASN 9 0.745 -7.300 -10.422 63 H GLU 10 H GLU 10 -0.840 -4.007 -5.068 64 HA GLU 10 HA GLU 10 -3.686 -4.151 -5.007 65 HB2 GLU 10 2HB GLU 10 -2.454 -5.599 -3.586 66 HB3 GLU 10 1HB GLU 10 -1.598 -4.284 -2.834 67 HG2 GLU 10 2HG GLU 10 -3.303 -5.118 -1.443 68 HG3 GLU 10 1HG GLU 10 -3.688 -3.466 -1.961 69 H ARG 11 H ARG 11 -3.903 -2.199 -5.981 70 HA ARG 11 HA ARG 11 -3.116 0.286 -4.964 71 HB2 ARG 11 2HB ARG 11 -5.553 -0.309 -6.627 72 HB3 ARG 11 1HB ARG 11 -4.913 1.293 -6.312 73 HG2 ARG 11 2HG ARG 11 -2.766 0.557 -7.378 74 HG3 ARG 11 1HG ARG 11 -3.587 -0.927 -7.856 75 HD2 ARG 11 2HD ARG 11 -3.622 0.647 -9.702 76 HD3 ARG 11 1HD ARG 11 -5.257 0.436 -9.079 77 HE ARG 11 HE ARG 11 -4.099 2.595 -7.750 78 HH11 ARG 11 1HH1 ARG 11 -5.041 1.909 -11.118 79 HH12 ARG 11 2HH1 ARG 11 -5.468 3.541 -11.421 80 HH21 ARG 11 1HH2 ARG 11 -4.678 4.739 -8.222 81 HH22 ARG 11 2HH2 ARG 11 -5.266 5.167 -9.765 82 H LEU 12 H LEU 12 -5.616 -1.799 -3.820 83 HA LEU 12 HA LEU 12 -7.092 0.161 -2.364 84 HB2 LEU 12 2HB LEU 12 -6.788 -2.813 -1.949 85 HB3 LEU 12 1HB LEU 12 -7.912 -1.808 -1.062 86 HG LEU 12 HG LEU 12 -7.995 -2.253 -4.051 87 HD11 LEU 12 1HD1 LEU 12 -8.496 -4.279 -2.793 88 HD12 LEU 12 2HD1 LEU 12 -9.943 -3.638 -3.573 89 HD13 LEU 12 3HD1 LEU 12 -9.687 -3.399 -1.843 90 HD21 LEU 12 1HD2 LEU 12 -9.959 -0.944 -2.174 91 HD22 LEU 12 2HD2 LEU 12 -10.190 -1.210 -3.901 92 HD23 LEU 12 3HD2 LEU 12 -8.939 -0.105 -3.342 93 H CYS 13 H CYS 13 -4.159 -1.519 -1.897 94 HA CYS 13 HA CYS 13 -3.938 -0.763 0.873 95 HB2 CYS 13 2HB CYS 13 -3.021 -2.890 0.286 96 HB3 CYS 13 1HB CYS 13 -2.130 -2.202 -1.068 97 H VAL 14 H VAL 14 -2.447 -0.033 -2.239 98 HA VAL 14 HA VAL 14 -0.517 1.825 -1.501 99 HB VAL 14 HB VAL 14 -2.144 1.897 -4.038 100 HG11 VAL 14 1HG1 VAL 14 -0.133 2.901 -5.060 101 HG12 VAL 14 2HG1 VAL 14 0.625 2.942 -3.466 102 HG13 VAL 14 3HG1 VAL 14 -0.821 3.899 -3.780 103 HG21 VAL 14 1HG2 VAL 14 0.386 0.366 -3.456 104 HG22 VAL 14 2HG2 VAL 14 -0.397 0.488 -5.031 105 HG23 VAL 14 3HG2 VAL 14 -1.217 -0.327 -3.699 106 H VAL 15 H VAL 15 -3.963 2.358 -2.146 107 HA VAL 15 HA VAL 15 -3.953 5.131 -2.210 108 HB VAL 15 HB VAL 15 -5.899 3.712 -2.824 109 HG11 VAL 15 1HG1 VAL 15 -6.327 3.477 0.131 110 HG12 VAL 15 2HG1 VAL 15 -5.952 2.173 -0.999 111 HG13 VAL 15 3HG1 VAL 15 -7.499 3.019 -1.103 112 HG21 VAL 15 1HG2 VAL 15 -6.515 5.912 -0.853 113 HG22 VAL 15 2HG2 VAL 15 -7.655 5.247 -2.023 114 HG23 VAL 15 3HG2 VAL 15 -6.218 6.105 -2.581 115 H HIS 16 H HIS 16 -3.728 3.016 0.563 116 HA HIS 16 HA HIS 16 -4.384 4.956 2.539 117 HB2 HIS 16 2HB HIS 16 -4.462 2.592 3.084 118 HB3 HIS 16 1HB HIS 16 -2.768 2.401 2.675 119 HD1 HIS 16 1HD HIS 16 -4.828 4.320 5.272 120 HD2 HIS 16 2HD HIS 16 -1.164 2.442 4.787 121 HE1 HIS 16 1HE HIS 16 -3.669 4.463 7.525 122 H CYS 17 H CYS 17 -1.396 3.866 1.090 123 HA CYS 17 HA CYS 17 0.368 5.504 2.609 124 HB2 CYS 17 2HB CYS 17 0.741 4.423 -0.180 125 HB3 CYS 17 1HB CYS 17 1.997 4.847 0.978 126 H LEU 18 H LEU 18 -1.331 5.916 -0.450 127 HA LEU 18 HA LEU 18 -0.155 8.421 -1.110 128 HB2 LEU 18 2HB LEU 18 -2.753 7.210 -2.042 129 HB3 LEU 18 1HB LEU 18 -1.953 8.585 -2.777 130 HG LEU 18 HG LEU 18 -0.886 5.768 -2.669 131 HD11 LEU 18 1HD1 LEU 18 -1.215 5.799 -5.094 132 HD12 LEU 18 2HD1 LEU 18 -1.976 7.385 -4.960 133 HD13 LEU 18 3HD1 LEU 18 -2.729 5.977 -4.209 134 HD21 LEU 18 1HD2 LEU 18 0.935 7.364 -2.584 135 HD22 LEU 18 2HD2 LEU 18 0.238 8.251 -3.938 136 HD23 LEU 18 3HD2 LEU 18 0.859 6.618 -4.182 137 H ALA 19 H ALA 19 -2.986 7.484 0.728 138 HA ALA 19 HA ALA 19 -4.053 10.091 0.979 139 HB1 ALA 19 1HB ALA 19 -5.431 9.142 2.758 140 HB2 ALA 19 2HB ALA 19 -4.421 7.695 2.778 141 HB3 ALA 19 3HB ALA 19 -5.397 8.067 1.358 142 H LYS 20 H LYS 20 -1.863 8.148 2.933 143 HA LYS 20 HA LYS 20 -1.633 10.066 5.019 144 HB2 LYS 20 2HB LYS 20 0.264 7.839 4.293 145 HB3 LYS 20 1HB LYS 20 0.304 8.762 5.788 146 HG2 LYS 20 2HG LYS 20 -1.939 7.916 6.338 147 HG3 LYS 20 1HG LYS 20 -1.920 6.953 4.861 148 HD2 LYS 20 2HD LYS 20 -1.295 5.484 6.602 149 HD3 LYS 20 1HD LYS 20 0.194 5.881 5.750 150 HE2 LYS 20 2HE LYS 20 0.613 5.954 8.114 151 HE3 LYS 20 1HE LYS 20 0.655 7.594 7.476 152 HZ1 LYS 20 1HZ LYS 20 -1.597 6.344 8.938 153 HZ2 LYS 20 2HZ LYS 20 -1.638 7.891 8.295 154 HZ3 LYS 20 3HZ LYS 20 -0.573 7.528 9.538 155 H GLY 21 H GLY 21 0.013 9.649 1.994 156 HA2 GLY 21 2HA GLY 21 0.849 11.789 1.074 157 HA3 GLY 21 1HA GLY 21 1.505 12.109 2.671 158 H PHE 22 H PHE 22 1.736 8.932 1.508 159 HA PHE 22 HA PHE 22 4.593 9.083 1.417 160 HB2 PHE 22 2HB PHE 22 2.554 6.936 1.291 161 HB3 PHE 22 1HB PHE 22 4.121 6.518 0.641 162 HD1 PHE 22 1HD PHE 22 2.192 7.254 3.615 163 HD2 PHE 22 2HD PHE 22 6.041 6.551 2.005 164 HE1 PHE 22 1HE PHE 22 3.048 6.789 5.871 165 HE2 PHE 22 2HE PHE 22 6.916 6.087 4.139 166 HZ PHE 22 HZ PHE 22 5.436 6.194 6.175 167 H ARG 23 H ARG 23 5.761 8.044 -0.414 168 HA ARG 23 HA ARG 23 5.004 9.284 -2.869 169 HB2 ARG 23 2HB ARG 23 7.372 8.916 -2.093 170 HB3 ARG 23 1HB ARG 23 7.134 7.200 -2.359 171 HG2 ARG 23 2HG ARG 23 8.362 8.143 -4.200 172 HG3 ARG 23 1HG ARG 23 6.760 7.660 -4.759 173 HD2 ARG 23 2HD ARG 23 7.363 10.436 -3.858 174 HD3 ARG 23 1HD ARG 23 7.670 9.940 -5.529 175 HE ARG 23 HE ARG 23 5.137 9.290 -5.308 176 HH11 ARG 23 1HH1 ARG 23 6.655 12.206 -3.961 177 HH12 ARG 23 2HH1 ARG 23 5.330 13.213 -4.259 178 HH21 ARG 23 1HH2 ARG 23 3.292 10.682 -5.697 179 HH22 ARG 23 2HH2 ARG 23 3.364 12.322 -5.279 180 H GLY 24 H GLY 24 4.503 6.330 -1.279 181 HA2 GLY 24 2HA GLY 24 2.376 5.494 -2.777 182 HA3 GLY 24 1HA GLY 24 3.800 4.839 -3.586 183 H GLY 25 H GLY 25 2.542 2.841 -2.961 184 HA2 GLY 25 2HA GLY 25 3.708 1.806 -0.557 185 HA3 GLY 25 1HA GLY 25 1.948 1.890 -0.562 186 H TRP 26 H TRP 26 3.168 -0.520 -0.333 187 HA TRP 26 HA TRP 26 2.142 -1.882 -2.623 188 HB2 TRP 26 2HB TRP 26 4.159 -2.922 -3.401 189 HB3 TRP 26 1HB TRP 26 4.469 -1.198 -3.365 190 HD1 TRP 26 HD TRP 26 5.917 -4.396 -2.332 191 HE1 TRP 26 1HE TRP 26 7.907 -4.056 -0.714 192 HE3 TRP 26 3HE TRP 26 5.233 0.509 -1.171 193 HZ2 TRP 26 2HZ TRP 26 9.011 -2.050 0.813 194 HZ3 TRP 26 3HZ TRP 26 6.782 1.586 0.400 195 HH2 TRP 26 HH TRP 26 8.661 0.323 1.375 196 H CYS 27 H CYS 27 1.901 -4.044 -2.166 197 HA CYS 27 HA CYS 27 2.381 -4.840 0.582 198 HB2 CYS 27 2HB CYS 27 1.082 -6.299 -1.713 199 HB3 CYS 27 1HB CYS 27 1.164 -6.881 -0.052 200 H ASP 28 H ASP 28 4.013 -6.171 1.114 201 HA ASP 28 HA ASP 28 5.757 -6.983 -1.072 202 HB2 ASP 28 2HB ASP 28 7.499 -7.373 0.558 203 HB3 ASP 28 1HB ASP 28 6.683 -5.911 1.037 204 H SER 29 H SER 29 6.832 -9.345 -0.313 205 HA SER 29 HA SER 29 4.852 -11.093 -1.170 206 HB2 SER 29 2HB SER 29 6.662 -12.828 -0.615 207 HB3 SER 29 1HB SER 29 7.034 -11.590 -1.816 208 HG SER 29 HG SER 29 7.961 -11.911 0.788 209 H ARG 30 H ARG 30 5.650 -10.119 2.049 210 HA ARG 30 HA ARG 30 4.503 -12.462 3.322 211 HB2 ARG 30 2HB ARG 30 5.181 -9.756 4.456 212 HB3 ARG 30 1HB ARG 30 4.758 -11.180 5.384 213 HG2 ARG 30 2HG ARG 30 6.804 -12.233 4.857 214 HG3 ARG 30 1HG ARG 30 7.166 -11.043 3.596 215 HD2 ARG 30 2HD ARG 30 6.981 -10.524 6.564 216 HD3 ARG 30 1HD ARG 30 8.445 -10.496 5.570 217 HE ARG 30 HE ARG 30 6.904 -8.737 4.303 218 HH11 ARG 30 1HH1 ARG 30 7.819 -8.936 7.716 219 HH12 ARG 30 2HH1 ARG 30 7.597 -7.281 8.022 220 HH21 ARG 30 1HH2 ARG 30 6.504 -6.549 4.719 221 HH22 ARG 30 2HH2 ARG 30 6.793 -5.836 6.255 222 H LYS 31 H LYS 31 3.083 -10.162 1.525 223 HA LYS 31 HA LYS 31 0.942 -9.390 1.271 224 HB2 LYS 31 2HB LYS 31 0.407 -11.218 3.614 225 HB3 LYS 31 1HB LYS 31 -0.851 -10.269 2.856 226 HG2 LYS 31 2HG LYS 31 0.809 -12.262 1.340 227 HG3 LYS 31 1HG LYS 31 -0.665 -12.703 2.197 228 HD2 LYS 31 2HD LYS 31 -1.797 -10.848 0.853 229 HD3 LYS 31 1HD LYS 31 -0.345 -10.854 -0.152 230 HE2 LYS 31 2HE LYS 31 -0.692 -13.159 -0.729 231 HE3 LYS 31 1HE LYS 31 -2.023 -13.294 0.415 232 HZ1 LYS 31 1HZ LYS 31 -2.972 -13.054 -1.690 233 HZ2 LYS 31 2HZ LYS 31 -1.989 -11.804 -2.156 234 HZ3 LYS 31 3HZ LYS 31 -3.176 -11.556 -0.958 235 H VAL 32 H VAL 32 2.969 -8.229 3.185 236 HA VAL 32 HA VAL 32 1.198 -6.774 4.993 237 HB VAL 32 HB VAL 32 4.239 -6.794 4.846 238 HG11 VAL 32 1HG1 VAL 32 4.164 -5.671 7.026 239 HG12 VAL 32 2HG1 VAL 32 2.405 -5.598 6.923 240 HG13 VAL 32 3HG1 VAL 32 3.392 -4.699 5.772 241 HG21 VAL 32 1HG2 VAL 32 4.150 -8.114 6.906 242 HG22 VAL 32 2HG2 VAL 32 3.347 -8.948 5.573 243 HG23 VAL 32 3HG2 VAL 32 2.389 -8.140 6.812 244 H CYS 33 H CYS 33 0.762 -4.717 4.791 245 HA CYS 33 HA CYS 33 1.359 -3.433 2.317 246 HB2 CYS 33 2HB CYS 33 -0.427 -2.905 4.632 247 HB3 CYS 33 1HB CYS 33 0.039 -1.546 3.599 248 H ASN 34 H ASN 34 3.070 -2.265 1.964 249 HA ASN 34 HA ASN 34 4.403 -0.970 4.240 250 HB2 ASN 34 2HB ASN 34 5.633 -1.904 1.638 251 HB3 ASN 34 1HB ASN 34 6.486 -1.169 2.980 252 HD21 ASN 34 1HD2 ASN 34 5.050 -3.990 1.723 253 HD22 ASN 34 2HD2 ASN 34 5.619 -5.118 2.896 254 H CYS 35 H CYS 35 4.840 1.198 3.946 255 HA CYS 35 HA CYS 35 4.007 2.344 1.375 256 HB2 CYS 35 2HB CYS 35 3.898 3.629 4.115 257 HB3 CYS 35 1HB CYS 35 3.429 4.390 2.609 258 H ARG 36 H ARG 36 5.480 3.341 0.217 259 HA ARG 36 HA ARG 36 7.331 5.173 0.989 260 HB2 ARG 36 2HB ARG 36 8.505 3.297 2.159 261 HB3 ARG 36 1HB ARG 36 8.695 2.506 0.602 262 HG2 ARG 36 2HG ARG 36 10.062 4.349 -0.208 263 HG3 ARG 36 1HG ARG 36 9.840 5.204 1.319 264 HD2 ARG 36 2HD ARG 36 11.225 2.551 0.938 265 HD3 ARG 36 1HD ARG 36 12.004 4.100 1.260 266 HE ARG 36 HE ARG 36 10.089 3.449 3.251 267 HH11 ARG 36 1HH1 ARG 36 13.413 2.793 2.270 268 HH12 ARG 36 2HH1 ARG 36 13.902 2.255 3.809 269 HH21 ARG 36 1HH2 ARG 36 10.758 2.728 5.338 270 HH22 ARG 36 2HH2 ARG 36 12.368 2.243 5.601 271 H ARG 37 H ARG 37 7.127 2.345 -1.186 272 HA ARG 37 HA ARG 37 8.485 3.669 -3.313 273 HB2 ARG 37 2HB ARG 37 6.933 1.078 -3.341 274 HB3 ARG 37 1HB ARG 37 8.060 1.623 -4.578 275 HG2 ARG 37 2HG ARG 37 9.861 1.515 -2.894 276 HG3 ARG 37 1HG ARG 37 8.656 0.922 -1.740 277 HD2 ARG 37 2HD ARG 37 8.188 -0.982 -3.238 278 HD3 ARG 37 1HD ARG 37 9.461 -0.423 -4.321 279 HE ARG 37 HE ARG 37 10.631 -0.652 -1.874 280 HH11 ARG 37 1HH1 ARG 37 8.984 -2.880 -4.099 281 HH12 ARG 37 2HH1 ARG 37 9.783 -4.265 -3.550 282 HH21 ARG 37 1HH2 ARG 37 11.764 -2.608 -1.112 283 HH22 ARG 37 2HH2 ARG 37 11.404 -4.106 -1.813 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -9.268 -0.421 3.818 2 H2 GLY 1 2HT GLY 1 -8.073 0.774 3.828 3 H3 GLY 1 3HT GLY 1 -9.240 0.754 5.052 4 HA2 GLY 1 1HA GLY 1 -7.194 -0.080 5.872 5 HA3 GLY 1 2HA GLY 1 -8.400 -1.362 5.802 6 H ILE 2 H ILE 2 -5.299 -0.964 5.431 7 HA ILE 2 HA ILE 2 -4.759 -1.950 2.869 8 HB ILE 2 HB ILE 2 -2.516 -2.604 3.834 9 HG12 ILE 2 2HG1 ILE 2 -3.698 -1.308 6.315 10 HG13 ILE 2 1HG1 ILE 2 -3.118 -2.954 6.139 11 HG21 ILE 2 1HG2 ILE 2 -3.470 0.227 4.110 12 HG22 ILE 2 2HG2 ILE 2 -2.837 -0.549 2.656 13 HG23 ILE 2 3HG2 ILE 2 -1.784 -0.275 4.041 14 HD11 ILE 2 1HD1 ILE 2 -1.386 -0.519 5.916 15 HD12 ILE 2 2HD1 ILE 2 -0.861 -2.210 5.968 16 HD13 ILE 2 3HD1 ILE 2 -1.604 -1.470 7.381 17 H THR 3 H THR 3 -5.072 -3.751 2.027 18 HA THR 3 HA THR 3 -5.139 -6.228 3.578 19 HB THR 3 HB THR 3 -7.037 -5.532 1.313 20 HG1 THR 3 1HG THR 3 -7.478 -4.075 2.937 21 HG21 THR 3 1HG2 THR 3 -6.774 -7.923 1.872 22 HG22 THR 3 2HG2 THR 3 -8.396 -7.346 2.262 23 HG23 THR 3 3HG2 THR 3 -7.206 -7.565 3.544 24 H CYS 4 H CYS 4 -4.505 -8.031 2.050 25 HA CYS 4 HA CYS 4 -3.409 -6.967 -0.425 26 HB2 CYS 4 2HB CYS 4 -2.152 -9.052 1.358 27 HB3 CYS 4 1HB CYS 4 -1.554 -8.647 -0.242 28 H ASP 5 H ASP 5 -5.090 -7.504 -1.638 29 HA ASP 5 HA ASP 5 -6.024 -10.264 -1.775 30 HB2 ASP 5 2HB ASP 5 -7.599 -8.326 -1.997 31 HB3 ASP 5 1HB ASP 5 -6.716 -7.812 -3.426 32 H LEU 6 H LEU 6 -4.148 -7.857 -3.439 33 HA LEU 6 HA LEU 6 -2.824 -9.926 -4.997 34 HB2 LEU 6 2HB LEU 6 -3.651 -7.168 -5.924 35 HB3 LEU 6 1HB LEU 6 -2.551 -8.210 -6.793 36 HG LEU 6 HG LEU 6 -5.466 -8.797 -6.269 37 HD11 LEU 6 1HD1 LEU 6 -5.128 -6.950 -7.834 38 HD12 LEU 6 2HD1 LEU 6 -5.750 -8.380 -8.652 39 HD13 LEU 6 3HD1 LEU 6 -4.043 -7.958 -8.794 40 HD21 LEU 6 1HD2 LEU 6 -5.129 -10.636 -7.870 41 HD22 LEU 6 2HD2 LEU 6 -4.143 -10.838 -6.426 42 HD23 LEU 6 3HD2 LEU 6 -3.405 -10.267 -7.922 43 H ILE 7 H ILE 7 -0.674 -9.010 -5.679 44 HA ILE 7 HA ILE 7 0.323 -7.108 -3.705 45 HB ILE 7 HB ILE 7 1.754 -9.451 -5.009 46 HG12 ILE 7 2HG1 ILE 7 0.934 -8.870 -2.165 47 HG13 ILE 7 1HG1 ILE 7 0.356 -10.154 -3.200 48 HG21 ILE 7 1HG2 ILE 7 3.286 -7.572 -4.879 49 HG22 ILE 7 2HG2 ILE 7 3.738 -8.826 -3.723 50 HG23 ILE 7 3HG2 ILE 7 2.917 -7.369 -3.166 51 HD11 ILE 7 1HD1 ILE 7 2.561 -11.205 -3.166 52 HD12 ILE 7 2HD1 ILE 7 1.890 -11.034 -1.543 53 HD13 ILE 7 3HD1 ILE 7 3.150 -9.930 -2.098 54 H GLY 8 H GLY 8 1.309 -5.330 -4.485 55 HA2 GLY 8 2HA GLY 8 2.414 -3.941 -6.005 56 HA3 GLY 8 1HA GLY 8 2.301 -5.212 -7.215 57 H ASN 9 H ASN 9 -0.344 -5.684 -7.263 58 HA ASN 9 HA ASN 9 -1.377 -3.339 -8.698 59 HB2 ASN 9 2HB ASN 9 -2.233 -6.225 -8.551 60 HB3 ASN 9 1HB ASN 9 -3.195 -5.005 -9.365 61 HD21 ASN 9 1HD2 ASN 9 -1.705 -7.411 -10.337 62 HD22 ASN 9 2HD2 ASN 9 -0.722 -6.813 -11.621 63 H GLU 10 H GLU 10 -1.286 -4.119 -5.753 64 HA GLU 10 HA GLU 10 -4.037 -4.160 -5.003 65 HB2 GLU 10 2HB GLU 10 -2.411 -5.589 -3.893 66 HB3 GLU 10 1HB GLU 10 -1.514 -4.177 -3.367 67 HG2 GLU 10 2HG GLU 10 -2.883 -5.215 -1.655 68 HG3 GLU 10 1HG GLU 10 -3.249 -3.507 -1.961 69 H ARG 11 H ARG 11 -4.382 -2.226 -5.992 70 HA ARG 11 HA ARG 11 -3.311 0.290 -5.330 71 HB2 ARG 11 2HB ARG 11 -6.007 -0.405 -6.476 72 HB3 ARG 11 1HB ARG 11 -5.335 1.218 -6.408 73 HG2 ARG 11 2HG ARG 11 -4.119 -1.106 -7.892 74 HG3 ARG 11 1HG ARG 11 -5.063 0.185 -8.632 75 HD2 ARG 11 2HD ARG 11 -2.421 0.457 -7.196 76 HD3 ARG 11 1HD ARG 11 -2.712 0.637 -8.922 77 HE ARG 11 HE ARG 11 -4.374 2.451 -7.770 78 HH11 ARG 11 1HH1 ARG 11 -0.877 1.902 -7.608 79 HH12 ARG 11 2HH1 ARG 11 -0.520 3.561 -7.385 80 HH21 ARG 11 1HH2 ARG 11 -3.861 4.685 -7.425 81 HH22 ARG 11 2HH2 ARG 11 -2.229 5.159 -7.282 82 H LEU 12 H LEU 12 -5.820 -1.585 -3.846 83 HA LEU 12 HA LEU 12 -6.825 0.539 -2.266 84 HB2 LEU 12 2HB LEU 12 -7.129 -2.442 -2.008 85 HB3 LEU 12 1HB LEU 12 -7.944 -1.297 -0.954 86 HG LEU 12 HG LEU 12 -8.324 -1.542 -3.942 87 HD11 LEU 12 1HD1 LEU 12 -10.103 -2.347 -1.651 88 HD12 LEU 12 2HD1 LEU 12 -9.259 -3.432 -2.756 89 HD13 LEU 12 3HD1 LEU 12 -10.545 -2.386 -3.358 90 HD21 LEU 12 1HD2 LEU 12 -10.212 0.002 -3.595 91 HD22 LEU 12 2HD2 LEU 12 -8.668 0.751 -3.207 92 HD23 LEU 12 3HD2 LEU 12 -9.731 0.199 -1.910 93 H CYS 13 H CYS 13 -4.055 -1.439 -2.028 94 HA CYS 13 HA CYS 13 -3.666 -0.839 0.766 95 HB2 CYS 13 2HB CYS 13 -2.705 -2.906 0.020 96 HB3 CYS 13 1HB CYS 13 -1.928 -2.120 -1.360 97 H VAL 14 H VAL 14 -2.395 0.098 -2.368 98 HA VAL 14 HA VAL 14 -0.435 1.946 -1.650 99 HB VAL 14 HB VAL 14 -2.220 2.170 -4.069 100 HG11 VAL 14 1HG1 VAL 14 0.624 3.070 -3.627 101 HG12 VAL 14 2HG1 VAL 14 -0.797 4.105 -3.759 102 HG13 VAL 14 3HG1 VAL 14 -0.253 3.172 -5.154 103 HG21 VAL 14 1HG2 VAL 14 -0.611 0.769 -5.244 104 HG22 VAL 14 2HG2 VAL 14 -1.374 -0.102 -3.914 105 HG23 VAL 14 3HG2 VAL 14 0.272 0.511 -3.742 106 H VAL 15 H VAL 15 -3.901 2.402 -2.128 107 HA VAL 15 HA VAL 15 -3.916 5.180 -2.041 108 HB VAL 15 HB VAL 15 -5.778 3.784 -2.860 109 HG11 VAL 15 1HG1 VAL 15 -6.415 3.327 0.028 110 HG12 VAL 15 2HG1 VAL 15 -5.858 2.126 -1.133 111 HG13 VAL 15 3HG1 VAL 15 -7.439 2.886 -1.343 112 HG21 VAL 15 1HG2 VAL 15 -6.168 6.130 -2.469 113 HG22 VAL 15 2HG2 VAL 15 -6.523 5.809 -0.773 114 HG23 VAL 15 3HG2 VAL 15 -7.612 5.212 -2.028 115 H HIS 16 H HIS 16 -3.712 2.887 0.572 116 HA HIS 16 HA HIS 16 -4.422 4.732 2.652 117 HB2 HIS 16 2HB HIS 16 -4.528 2.436 3.255 118 HB3 HIS 16 1HB HIS 16 -2.917 2.118 2.640 119 HD1 HIS 16 1HD HIS 16 -4.413 4.231 5.501 120 HD2 HIS 16 2HD HIS 16 -1.105 1.951 4.511 121 HE1 HIS 16 1HE HIS 16 -2.894 4.257 7.554 122 H CYS 17 H CYS 17 -1.464 3.747 1.165 123 HA CYS 17 HA CYS 17 0.252 5.388 2.702 124 HB2 CYS 17 2HB CYS 17 0.606 4.336 -0.099 125 HB3 CYS 17 1HB CYS 17 1.888 4.909 0.968 126 H LEU 18 H LEU 18 -1.548 5.898 -0.278 127 HA LEU 18 HA LEU 18 -0.480 8.469 -0.825 128 HB2 LEU 18 2HB LEU 18 -3.122 7.266 -1.651 129 HB3 LEU 18 1HB LEU 18 -2.430 8.731 -2.314 130 HG LEU 18 HG LEU 18 -1.258 5.961 -2.578 131 HD11 LEU 18 1HD1 LEU 18 -3.290 6.237 -3.889 132 HD12 LEU 18 2HD1 LEU 18 -1.872 6.161 -4.931 133 HD13 LEU 18 3HD1 LEU 18 -2.641 7.712 -4.604 134 HD21 LEU 18 1HD2 LEU 18 0.489 7.659 -2.547 135 HD22 LEU 18 2HD2 LEU 18 -0.380 8.598 -3.760 136 HD23 LEU 18 3HD2 LEU 18 0.285 7.020 -4.178 137 H ALA 19 H ALA 19 -3.158 7.322 1.134 138 HA ALA 19 HA ALA 19 -4.235 9.884 1.693 139 HB1 ALA 19 1HB ALA 19 -5.538 7.818 1.991 140 HB2 ALA 19 2HB ALA 19 -5.472 8.758 3.482 141 HB3 ALA 19 3HB ALA 19 -4.455 7.329 3.294 142 H LYS 20 H LYS 20 -1.820 7.864 3.195 143 HA LYS 20 HA LYS 20 -1.381 9.512 5.464 144 HB2 LYS 20 2HB LYS 20 0.404 7.480 4.135 145 HB3 LYS 20 1HB LYS 20 0.800 8.277 5.648 146 HG2 LYS 20 2HG LYS 20 -1.161 7.278 6.697 147 HG3 LYS 20 1HG LYS 20 -1.603 6.526 5.164 148 HD2 LYS 20 2HD LYS 20 -0.521 4.873 6.525 149 HD3 LYS 20 1HD LYS 20 0.562 5.298 5.207 150 HE2 LYS 20 2HE LYS 20 1.834 5.108 7.236 151 HE3 LYS 20 1HE LYS 20 1.760 6.802 6.744 152 HZ1 LYS 20 1HZ LYS 20 1.447 6.497 9.128 153 HZ2 LYS 20 2HZ LYS 20 0.093 5.560 8.863 154 HZ3 LYS 20 3HZ LYS 20 0.079 7.192 8.444 155 H GLY 21 H GLY 21 -0.096 9.483 2.241 156 HA2 GLY 21 2HA GLY 21 0.624 11.622 1.299 157 HA3 GLY 21 1HA GLY 21 1.367 11.977 2.857 158 H PHE 22 H PHE 22 1.496 8.883 1.301 159 HA PHE 22 HA PHE 22 4.385 9.094 1.181 160 HB2 PHE 22 2HB PHE 22 2.487 6.894 1.586 161 HB3 PHE 22 1HB PHE 22 3.935 6.454 0.699 162 HD1 PHE 22 1HD PHE 22 6.097 6.822 1.672 163 HD2 PHE 22 2HD PHE 22 2.527 7.321 3.898 164 HE1 PHE 22 1HE PHE 22 7.362 6.624 3.655 165 HE2 PHE 22 2HE PHE 22 3.810 7.129 5.988 166 HZ PHE 22 HZ PHE 22 6.247 6.781 5.896 167 H ARG 23 H ARG 23 5.527 8.259 -0.513 168 HA ARG 23 HA ARG 23 4.745 9.007 -3.084 169 HB2 ARG 23 2HB ARG 23 7.070 8.813 -2.227 170 HB3 ARG 23 1HB ARG 23 6.894 7.069 -2.238 171 HG2 ARG 23 2HG ARG 23 6.635 7.075 -4.638 172 HG3 ARG 23 1HG ARG 23 6.716 8.837 -4.659 173 HD2 ARG 23 2HD ARG 23 8.905 6.964 -3.765 174 HD3 ARG 23 1HD ARG 23 8.849 7.882 -5.273 175 HE ARG 23 HE ARG 23 8.554 9.620 -3.115 176 HH11 ARG 23 1HH1 ARG 23 11.059 7.714 -4.750 177 HH12 ARG 23 2HH1 ARG 23 12.346 8.670 -4.194 178 HH21 ARG 23 1HH2 ARG 23 10.331 10.918 -2.332 179 HH22 ARG 23 2HH2 ARG 23 11.921 10.554 -2.800 180 H GLY 24 H GLY 24 4.291 6.069 -1.288 181 HA2 GLY 24 2HA GLY 24 2.264 5.068 -2.790 182 HA3 GLY 24 1HA GLY 24 3.710 4.463 -3.586 183 H GLY 25 H GLY 25 2.254 2.540 -2.772 184 HA2 GLY 25 2HA GLY 25 3.542 1.554 -0.390 185 HA3 GLY 25 1HA GLY 25 1.785 1.655 -0.380 186 H TRP 26 H TRP 26 3.147 -0.742 -0.136 187 HA TRP 26 HA TRP 26 2.071 -2.178 -2.381 188 HB2 TRP 26 2HB TRP 26 4.113 -3.128 -3.203 189 HB3 TRP 26 1HB TRP 26 4.357 -1.391 -3.179 190 HD1 TRP 26 HD TRP 26 5.960 -4.551 -2.084 191 HE1 TRP 26 1HE TRP 26 7.939 -4.102 -0.510 192 HE3 TRP 26 3HE TRP 26 5.107 0.368 -1.075 193 HZ2 TRP 26 2HZ TRP 26 8.989 -1.973 0.961 194 HZ3 TRP 26 3HZ TRP 26 6.622 1.544 0.450 195 HH2 TRP 26 HH TRP 26 8.554 0.370 1.451 196 H CYS 27 H CYS 27 1.820 -4.344 -1.868 197 HA CYS 27 HA CYS 27 2.378 -5.189 0.836 198 HB2 CYS 27 2HB CYS 27 1.312 -6.728 -1.557 199 HB3 CYS 27 1HB CYS 27 1.392 -7.341 0.088 200 H ASP 28 H ASP 28 4.157 -6.363 1.363 201 HA ASP 28 HA ASP 28 5.887 -7.162 -0.858 202 HB2 ASP 28 2HB ASP 28 7.728 -7.330 0.730 203 HB3 ASP 28 1HB ASP 28 6.908 -5.810 1.021 204 H SER 29 H SER 29 7.206 -9.337 0.080 205 HA SER 29 HA SER 29 5.413 -11.396 -0.467 206 HB2 SER 29 2HB SER 29 8.091 -11.602 0.892 207 HB3 SER 29 1HB SER 29 7.254 -12.880 0.009 208 HG SER 29 HG SER 29 7.296 -11.009 -1.699 209 H ARG 30 H ARG 30 6.082 -9.885 2.585 210 HA ARG 30 HA ARG 30 5.217 -12.135 4.191 211 HB2 ARG 30 2HB ARG 30 5.709 -9.259 4.919 212 HB3 ARG 30 1HB ARG 30 5.418 -10.556 6.058 213 HG2 ARG 30 2HG ARG 30 7.512 -11.567 5.561 214 HG3 ARG 30 1HG ARG 30 7.753 -10.510 4.162 215 HD2 ARG 30 2HD ARG 30 7.635 -9.660 7.054 216 HD3 ARG 30 1HD ARG 30 9.067 -9.675 6.016 217 HE ARG 30 HE ARG 30 7.312 -8.176 4.634 218 HH11 ARG 30 1HH1 ARG 30 8.697 -7.871 7.871 219 HH12 ARG 30 2HH1 ARG 30 8.381 -6.198 7.998 220 HH21 ARG 30 1HH2 ARG 30 6.858 -5.967 4.811 221 HH22 ARG 30 2HH2 ARG 30 7.312 -5.048 6.195 222 H LYS 31 H LYS 31 3.531 -10.147 2.218 223 HA LYS 31 HA LYS 31 1.352 -9.553 1.943 224 HB2 LYS 31 2HB LYS 31 0.816 -11.000 4.560 225 HB3 LYS 31 1HB LYS 31 -0.416 -10.401 3.470 226 HG2 LYS 31 2HG LYS 31 1.588 -12.539 2.791 227 HG3 LYS 31 1HG LYS 31 -0.062 -12.832 3.353 228 HD2 LYS 31 2HD LYS 31 -0.891 -11.616 1.359 229 HD3 LYS 31 1HD LYS 31 0.778 -11.469 0.798 230 HE2 LYS 31 2HE LYS 31 1.005 -13.884 0.718 231 HE3 LYS 31 1HE LYS 31 -0.606 -14.085 1.385 232 HZ1 LYS 31 1HZ LYS 31 -0.562 -14.407 -1.005 233 HZ2 LYS 31 2HZ LYS 31 0.023 -12.851 -1.231 234 HZ3 LYS 31 3HZ LYS 31 -1.511 -13.077 -0.578 235 H VAL 32 H VAL 32 3.356 -8.184 3.754 236 HA VAL 32 HA VAL 32 1.574 -6.526 5.372 237 HB VAL 32 HB VAL 32 4.606 -6.486 5.185 238 HG11 VAL 32 1HG1 VAL 32 4.529 -5.150 7.240 239 HG12 VAL 32 2HG1 VAL 32 2.767 -5.155 7.176 240 HG13 VAL 32 3HG1 VAL 32 3.692 -4.345 5.912 241 HG21 VAL 32 1HG2 VAL 32 3.825 -8.593 6.138 242 HG22 VAL 32 2HG2 VAL 32 2.840 -7.714 7.306 243 HG23 VAL 32 3HG2 VAL 32 4.599 -7.600 7.373 244 H CYS 33 H CYS 33 1.022 -4.590 4.832 245 HA CYS 33 HA CYS 33 1.904 -3.500 2.326 246 HB2 CYS 33 2HB CYS 33 -0.221 -2.832 4.290 247 HB3 CYS 33 1HB CYS 33 0.349 -1.581 3.194 248 H ASN 34 H ASN 34 3.381 -2.078 2.107 249 HA ASN 34 HA ASN 34 4.346 -0.628 4.484 250 HB2 ASN 34 2HB ASN 34 6.041 -1.438 2.116 251 HB3 ASN 34 1HB ASN 34 6.581 -0.819 3.666 252 HD21 ASN 34 1HD2 ASN 34 5.538 -3.563 1.887 253 HD22 ASN 34 2HD2 ASN 34 5.869 -4.771 3.071 254 H CYS 35 H CYS 35 4.889 1.546 4.040 255 HA CYS 35 HA CYS 35 4.078 2.528 1.399 256 HB2 CYS 35 2HB CYS 35 4.027 3.949 4.072 257 HB3 CYS 35 1HB CYS 35 3.476 4.606 2.540 258 H ARG 36 H ARG 36 5.707 3.407 0.209 259 HA ARG 36 HA ARG 36 7.739 5.090 1.110 260 HB2 ARG 36 2HB ARG 36 8.534 3.049 2.334 261 HB3 ARG 36 1HB ARG 36 8.690 2.246 0.783 262 HG2 ARG 36 2HG ARG 36 10.375 3.892 0.129 263 HG3 ARG 36 1HG ARG 36 10.267 4.608 1.747 264 HD2 ARG 36 2HD ARG 36 10.810 2.366 2.703 265 HD3 ARG 36 1HD ARG 36 11.032 1.787 1.057 266 HE ARG 36 HE ARG 36 12.646 4.007 1.431 267 HH11 ARG 36 1HH1 ARG 36 12.446 0.628 2.466 268 HH12 ARG 36 2HH1 ARG 36 14.096 0.471 2.823 269 HH21 ARG 36 1HH2 ARG 36 14.916 3.816 1.973 270 HH22 ARG 36 2HH2 ARG 36 15.536 2.329 2.549 271 H ARG 37 H ARG 37 7.261 2.295 -1.056 272 HA ARG 37 HA ARG 37 9.000 3.333 -3.045 273 HB2 ARG 37 2HB ARG 37 7.093 1.010 -3.202 274 HB3 ARG 37 1HB ARG 37 8.382 1.365 -4.339 275 HG2 ARG 37 2HG ARG 37 8.665 0.579 -1.458 276 HG3 ARG 37 1HG ARG 37 9.026 -0.435 -2.855 277 HD2 ARG 37 2HD ARG 37 10.482 2.074 -1.986 278 HD3 ARG 37 1HD ARG 37 11.071 0.416 -1.901 279 HE ARG 37 HE ARG 37 10.471 0.840 -4.526 280 HH11 ARG 37 1HH1 ARG 37 12.799 2.104 -2.175 281 HH12 ARG 37 2HH1 ARG 37 13.832 2.788 -3.335 282 HH21 ARG 37 1HH2 ARG 37 11.926 1.768 -6.154 283 HH22 ARG 37 2HH2 ARG 37 13.319 2.596 -5.638 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -10.076 -1.866 5.328 2 H2 GLY 1 2HT GLY 1 -9.421 -0.345 5.077 3 H3 GLY 1 3HT GLY 1 -10.229 -0.694 6.538 4 HA2 GLY 1 1HA GLY 1 -7.846 -0.703 6.844 5 HA3 GLY 1 2HA GLY 1 -8.539 -2.306 7.087 6 H ILE 2 H ILE 2 -5.819 -1.674 6.353 7 HA ILE 2 HA ILE 2 -5.561 -2.133 3.569 8 HB ILE 2 HB ILE 2 -3.103 -2.368 4.153 9 HG12 ILE 2 2HG1 ILE 2 -4.142 -1.579 6.892 10 HG13 ILE 2 1HG1 ILE 2 -3.296 -3.064 6.486 11 HG21 ILE 2 1HG2 ILE 2 -4.551 0.155 4.932 12 HG22 ILE 2 2HG2 ILE 2 -4.042 -0.313 3.310 13 HG23 ILE 2 3HG2 ILE 2 -2.833 0.046 4.544 14 HD11 ILE 2 1HD1 ILE 2 -1.865 -1.511 7.666 15 HD12 ILE 2 2HD1 ILE 2 -2.166 -0.284 6.433 16 HD13 ILE 2 3HD1 ILE 2 -1.281 -1.748 6.017 17 H THR 3 H THR 3 -5.554 -3.954 2.554 18 HA THR 3 HA THR 3 -5.057 -6.489 3.929 19 HB THR 3 HB THR 3 -7.413 -5.964 2.093 20 HG1 THR 3 1HG THR 3 -7.108 -5.257 4.628 21 HG21 THR 3 1HG2 THR 3 -6.790 -8.262 3.968 22 HG22 THR 3 2HG2 THR 3 -6.645 -8.304 2.212 23 HG23 THR 3 3HG2 THR 3 -8.232 -8.121 2.962 24 H CYS 4 H CYS 4 -3.898 -7.841 2.530 25 HA CYS 4 HA CYS 4 -3.405 -6.732 -0.109 26 HB2 CYS 4 2HB CYS 4 -1.772 -8.723 1.439 27 HB3 CYS 4 1HB CYS 4 -1.369 -8.039 -0.142 28 H ASP 5 H ASP 5 -4.585 -7.533 -1.631 29 HA ASP 5 HA ASP 5 -5.088 -10.396 -1.709 30 HB2 ASP 5 2HB ASP 5 -7.045 -9.099 -2.185 31 HB3 ASP 5 1HB ASP 5 -6.148 -8.019 -3.235 32 H LEU 6 H LEU 6 -3.759 -7.703 -3.577 33 HA LEU 6 HA LEU 6 -2.161 -9.614 -5.062 34 HB2 LEU 6 2HB LEU 6 -2.881 -6.746 -5.650 35 HB3 LEU 6 1HB LEU 6 -1.799 -7.705 -6.627 36 HG LEU 6 HG LEU 6 -4.726 -8.292 -6.186 37 HD11 LEU 6 1HD1 LEU 6 -4.974 -7.627 -8.526 38 HD12 LEU 6 2HD1 LEU 6 -3.269 -7.172 -8.564 39 HD13 LEU 6 3HD1 LEU 6 -4.390 -6.300 -7.522 40 HD21 LEU 6 1HD2 LEU 6 -2.702 -9.615 -7.999 41 HD22 LEU 6 2HD2 LEU 6 -4.430 -9.936 -7.987 42 HD23 LEU 6 3HD2 LEU 6 -3.456 -10.334 -6.575 43 H ILE 7 H ILE 7 -0.093 -8.898 -5.516 44 HA ILE 7 HA ILE 7 1.286 -7.588 -3.282 45 HB ILE 7 HB ILE 7 2.315 -9.489 -5.422 46 HG12 ILE 7 2HG1 ILE 7 1.922 -9.950 -2.460 47 HG13 ILE 7 1HG1 ILE 7 0.826 -10.509 -3.716 48 HG21 ILE 7 1HG2 ILE 7 4.411 -9.553 -4.141 49 HG22 ILE 7 2HG2 ILE 7 3.779 -8.320 -3.051 50 HG23 ILE 7 3HG2 ILE 7 4.068 -7.932 -4.746 51 HD11 ILE 7 1HD1 ILE 7 2.590 -11.906 -4.630 52 HD12 ILE 7 2HD1 ILE 7 2.278 -12.281 -2.934 53 HD13 ILE 7 3HD1 ILE 7 3.696 -11.328 -3.385 54 H GLY 8 H GLY 8 2.195 -5.669 -3.694 55 HA2 GLY 8 2HA GLY 8 3.073 -3.855 -4.849 56 HA3 GLY 8 1HA GLY 8 3.170 -4.884 -6.262 57 H ASN 9 H ASN 9 0.430 -5.486 -6.537 58 HA ASN 9 HA ASN 9 -0.410 -2.953 -7.799 59 HB2 ASN 9 2HB ASN 9 -1.204 -5.804 -8.313 60 HB3 ASN 9 1HB ASN 9 -1.931 -4.422 -9.118 61 HD21 ASN 9 1HD2 ASN 9 -0.472 -6.614 -10.261 62 HD22 ASN 9 2HD2 ASN 9 0.858 -5.929 -11.116 63 H GLU 10 H GLU 10 -0.781 -3.857 -5.061 64 HA GLU 10 HA GLU 10 -3.590 -4.296 -4.905 65 HB2 GLU 10 2HB GLU 10 -2.185 -5.615 -3.536 66 HB3 GLU 10 1HB GLU 10 -1.428 -4.229 -2.801 67 HG2 GLU 10 2HG GLU 10 -3.017 -5.327 -1.395 68 HG3 GLU 10 1HG GLU 10 -3.503 -3.655 -1.747 69 H ARG 11 H ARG 11 -4.026 -2.412 -5.872 70 HA ARG 11 HA ARG 11 -3.452 0.212 -5.133 71 HB2 ARG 11 2HB ARG 11 -5.964 -0.841 -6.413 72 HB3 ARG 11 1HB ARG 11 -5.528 0.857 -6.322 73 HG2 ARG 11 2HG ARG 11 -3.991 -1.294 -7.767 74 HG3 ARG 11 1HG ARG 11 -5.017 -0.069 -8.510 75 HD2 ARG 11 2HD ARG 11 -2.469 0.414 -6.952 76 HD3 ARG 11 1HD ARG 11 -2.682 0.570 -8.690 77 HE ARG 11 HE ARG 11 -4.543 2.258 -7.543 78 HH11 ARG 11 1HH1 ARG 11 -1.013 1.996 -7.432 79 HH12 ARG 11 2HH1 ARG 11 -0.770 3.672 -7.286 80 HH21 ARG 11 1HH2 ARG 11 -4.181 4.529 -7.363 81 HH22 ARG 11 2HH2 ARG 11 -2.590 5.144 -7.285 82 H LEU 12 H LEU 12 -5.878 -1.939 -3.832 83 HA LEU 12 HA LEU 12 -7.281 0.045 -2.377 84 HB2 LEU 12 2HB LEU 12 -7.093 -2.916 -1.860 85 HB3 LEU 12 1HB LEU 12 -8.258 -1.835 -1.122 86 HG LEU 12 HG LEU 12 -8.086 -2.527 -4.053 87 HD11 LEU 12 1HD1 LEU 12 -10.229 -3.632 -3.672 88 HD12 LEU 12 2HD1 LEU 12 -10.099 -3.270 -1.950 89 HD13 LEU 12 3HD1 LEU 12 -8.934 -4.351 -2.715 90 HD21 LEU 12 1HD2 LEU 12 -10.181 -1.275 -4.266 91 HD22 LEU 12 2HD2 LEU 12 -8.854 -0.237 -3.757 92 HD23 LEU 12 3HD2 LEU 12 -10.055 -0.776 -2.579 93 H CYS 13 H CYS 13 -4.330 -1.607 -1.835 94 HA CYS 13 HA CYS 13 -4.209 -0.744 0.917 95 HB2 CYS 13 2HB CYS 13 -3.180 -2.884 0.381 96 HB3 CYS 13 1HB CYS 13 -2.184 -2.128 -0.860 97 H VAL 14 H VAL 14 -2.654 -0.065 -2.185 98 HA VAL 14 HA VAL 14 -0.741 1.803 -1.484 99 HB VAL 14 HB VAL 14 -2.364 1.871 -4.030 100 HG11 VAL 14 1HG1 VAL 14 -0.345 2.852 -5.040 101 HG12 VAL 14 2HG1 VAL 14 0.414 2.890 -3.448 102 HG13 VAL 14 3HG1 VAL 14 -1.021 3.865 -3.765 103 HG21 VAL 14 1HG2 VAL 14 -0.625 0.446 -4.999 104 HG22 VAL 14 2HG2 VAL 14 -1.452 -0.354 -3.666 105 HG23 VAL 14 3HG2 VAL 14 0.156 0.332 -3.423 106 H VAL 15 H VAL 15 -4.162 2.407 -2.186 107 HA VAL 15 HA VAL 15 -4.187 5.164 -2.280 108 HB VAL 15 HB VAL 15 -6.143 3.774 -2.802 109 HG11 VAL 15 1HG1 VAL 15 -6.041 2.146 -1.055 110 HG12 VAL 15 2HG1 VAL 15 -7.625 2.929 -1.037 111 HG13 VAL 15 3HG1 VAL 15 -6.401 3.374 0.154 112 HG21 VAL 15 1HG2 VAL 15 -6.535 6.133 -2.416 113 HG22 VAL 15 2HG2 VAL 15 -6.727 5.844 -0.687 114 HG23 VAL 15 3HG2 VAL 15 -7.907 5.194 -1.826 115 H HIS 16 H HIS 16 -3.889 3.157 0.541 116 HA HIS 16 HA HIS 16 -4.432 5.141 2.504 117 HB2 HIS 16 2HB HIS 16 -4.620 2.866 3.187 118 HB3 HIS 16 1HB HIS 16 -3.024 2.471 2.577 119 HD1 HIS 16 1HD HIS 16 -4.634 4.436 5.450 120 HD2 HIS 16 2HD HIS 16 -1.105 2.532 4.386 121 HE1 HIS 16 1HE HIS 16 -3.166 4.479 7.505 122 H CYS 17 H CYS 17 -1.508 3.934 1.026 123 HA CYS 17 HA CYS 17 0.327 5.557 2.517 124 HB2 CYS 17 2HB CYS 17 0.654 4.298 -0.198 125 HB3 CYS 17 1HB CYS 17 1.939 4.788 0.908 126 H LEU 18 H LEU 18 -1.400 5.928 -0.497 127 HA LEU 18 HA LEU 18 -0.187 8.375 -1.252 128 HB2 LEU 18 2HB LEU 18 -2.888 7.228 -1.943 129 HB3 LEU 18 1HB LEU 18 -2.152 8.603 -2.741 130 HG LEU 18 HG LEU 18 -1.078 5.786 -2.754 131 HD11 LEU 18 1HD1 LEU 18 -2.463 7.385 -4.895 132 HD12 LEU 18 2HD1 LEU 18 -3.111 5.980 -4.050 133 HD13 LEU 18 3HD1 LEU 18 -1.723 5.802 -5.120 134 HD21 LEU 18 1HD2 LEU 18 0.714 7.436 -2.902 135 HD22 LEU 18 2HD2 LEU 18 -0.138 8.262 -4.206 136 HD23 LEU 18 3HD2 LEU 18 0.486 6.633 -4.454 137 H ALA 19 H ALA 19 -2.864 7.509 0.812 138 HA ALA 19 HA ALA 19 -3.777 10.160 1.219 139 HB1 ALA 19 1HB ALA 19 -5.217 8.218 1.619 140 HB2 ALA 19 2HB ALA 19 -5.063 9.196 3.082 141 HB3 ALA 19 3HB ALA 19 -4.148 7.699 2.917 142 H LYS 20 H LYS 20 -1.501 8.063 2.867 143 HA LYS 20 HA LYS 20 -1.016 9.831 5.039 144 HB2 LYS 20 2HB LYS 20 0.818 7.694 3.949 145 HB3 LYS 20 1HB LYS 20 0.984 8.473 5.518 146 HG2 LYS 20 2HG LYS 20 -1.221 7.497 6.142 147 HG3 LYS 20 1HG LYS 20 -1.228 6.641 4.604 148 HD2 LYS 20 2HD LYS 20 -0.420 5.079 6.170 149 HD3 LYS 20 1HD LYS 20 1.012 5.657 5.324 150 HE2 LYS 20 2HE LYS 20 1.508 5.555 7.676 151 HE3 LYS 20 1HE LYS 20 1.394 7.246 7.199 152 HZ1 LYS 20 1HZ LYS 20 -0.738 5.704 8.585 153 HZ2 LYS 20 2HZ LYS 20 -0.833 7.342 8.166 154 HZ3 LYS 20 3HZ LYS 20 0.285 6.825 9.289 155 H GLY 21 H GLY 21 0.213 9.615 1.825 156 HA2 GLY 21 2HA GLY 21 1.030 11.657 0.796 157 HA3 GLY 21 1HA GLY 21 1.751 12.084 2.343 158 H PHE 22 H PHE 22 1.924 8.884 1.175 159 HA PHE 22 HA PHE 22 4.794 9.013 1.107 160 HB2 PHE 22 2HB PHE 22 2.752 6.948 1.404 161 HB3 PHE 22 1HB PHE 22 4.144 6.351 0.543 162 HD1 PHE 22 1HD PHE 22 6.330 6.552 1.550 163 HD2 PHE 22 2HD PHE 22 2.783 7.345 3.708 164 HE1 PHE 22 1HE PHE 22 7.548 6.237 3.567 165 HE2 PHE 22 2HE PHE 22 4.000 7.037 5.822 166 HZ PHE 22 HZ PHE 22 6.404 6.481 5.777 167 H ARG 23 H ARG 23 5.990 7.948 -0.613 168 HA ARG 23 HA ARG 23 5.469 8.828 -3.216 169 HB2 ARG 23 2HB ARG 23 7.199 6.615 -2.125 170 HB3 ARG 23 1HB ARG 23 7.155 7.016 -3.832 171 HG2 ARG 23 2HG ARG 23 7.868 8.997 -1.695 172 HG3 ARG 23 1HG ARG 23 9.038 7.978 -2.546 173 HD2 ARG 23 2HD ARG 23 7.127 9.889 -3.870 174 HD3 ARG 23 1HD ARG 23 8.828 10.222 -3.536 175 HE ARG 23 HE ARG 23 9.010 7.961 -4.898 176 HH11 ARG 23 1HH1 ARG 23 7.119 10.841 -5.651 177 HH12 ARG 23 2HH1 ARG 23 7.234 10.654 -7.339 178 HH21 ARG 23 1HH2 ARG 23 9.231 7.725 -7.174 179 HH22 ARG 23 2HH2 ARG 23 8.512 8.847 -8.241 180 H GLY 24 H GLY 24 4.566 6.025 -1.458 181 HA2 GLY 24 2HA GLY 24 2.336 5.384 -2.815 182 HA3 GLY 24 1HA GLY 24 3.627 4.559 -3.693 183 H GLY 25 H GLY 25 2.190 2.790 -2.834 184 HA2 GLY 25 2HA GLY 25 3.455 1.803 -0.444 185 HA3 GLY 25 1HA GLY 25 1.691 1.897 -0.467 186 H TRP 26 H TRP 26 2.901 -0.520 -0.215 187 HA TRP 26 HA TRP 26 1.897 -1.802 -2.550 188 HB2 TRP 26 2HB TRP 26 3.897 -2.822 -3.340 189 HB3 TRP 26 1HB TRP 26 4.281 -1.116 -3.182 190 HD1 TRP 26 HD TRP 26 5.598 -4.438 -2.371 191 HE1 TRP 26 1HE TRP 26 7.535 -4.302 -0.668 192 HE3 TRP 26 3HE TRP 26 5.002 0.368 -0.805 193 HZ2 TRP 26 2HZ TRP 26 8.625 -2.485 1.079 194 HZ3 TRP 26 3HZ TRP 26 6.526 1.269 0.890 195 HH2 TRP 26 HH TRP 26 8.333 -0.140 1.832 196 H CYS 27 H CYS 27 1.488 -3.893 -2.135 197 HA CYS 27 HA CYS 27 2.006 -4.856 0.532 198 HB2 CYS 27 2HB CYS 27 0.437 -5.938 -1.791 199 HB3 CYS 27 1HB CYS 27 0.774 -6.897 -0.352 200 H ASP 28 H ASP 28 3.695 -5.928 0.943 201 HA ASP 28 HA ASP 28 5.546 -6.686 -1.138 202 HB2 ASP 28 2HB ASP 28 6.329 -5.737 1.026 203 HB3 ASP 28 1HB ASP 28 5.634 -7.120 1.858 204 H SER 29 H SER 29 6.578 -8.953 -0.526 205 HA SER 29 HA SER 29 4.739 -10.935 -1.500 206 HB2 SER 29 2HB SER 29 7.169 -10.987 -2.058 207 HB3 SER 29 1HB SER 29 7.535 -11.270 -0.362 208 HG SER 29 HG SER 29 7.220 -13.075 -2.086 209 H ARG 30 H ARG 30 6.062 -9.942 1.499 210 HA ARG 30 HA ARG 30 5.207 -12.139 3.104 211 HB2 ARG 30 2HB ARG 30 6.201 -9.361 3.712 212 HB3 ARG 30 1HB ARG 30 5.839 -10.551 4.958 213 HG2 ARG 30 2HG ARG 30 7.577 -11.955 4.296 214 HG3 ARG 30 1HG ARG 30 7.733 -11.173 2.724 215 HD2 ARG 30 2HD ARG 30 8.312 -9.775 5.318 216 HD3 ARG 30 1HD ARG 30 9.546 -10.658 4.414 217 HE ARG 30 HE ARG 30 8.370 -8.943 2.618 218 HH11 ARG 30 1HH1 ARG 30 10.206 -8.474 5.643 219 HH12 ARG 30 2HH1 ARG 30 10.883 -7.000 5.135 220 HH21 ARG 30 1HH2 ARG 30 9.372 -6.996 1.928 221 HH22 ARG 30 2HH2 ARG 30 10.412 -6.138 2.968 222 H LYS 31 H LYS 31 3.406 -9.976 1.499 223 HA LYS 31 HA LYS 31 1.251 -9.360 1.492 224 HB2 LYS 31 2HB LYS 31 0.908 -11.217 3.862 225 HB3 LYS 31 1HB LYS 31 -0.381 -10.581 2.855 226 HG2 LYS 31 2HG LYS 31 1.768 -12.530 2.033 227 HG3 LYS 31 1HG LYS 31 0.055 -12.871 2.260 228 HD2 LYS 31 2HD LYS 31 -0.451 -11.312 0.391 229 HD3 LYS 31 1HD LYS 31 1.282 -11.096 0.147 230 HE2 LYS 31 2HE LYS 31 -0.262 -13.678 -0.120 231 HE3 LYS 31 1HE LYS 31 0.417 -12.722 -1.430 232 HZ1 LYS 31 1HZ LYS 31 1.819 -14.599 -0.922 233 HZ2 LYS 31 2HZ LYS 31 1.961 -14.140 0.680 234 HZ3 LYS 31 3HZ LYS 31 2.666 -13.207 -0.515 235 H VAL 32 H VAL 32 3.208 -8.002 3.089 236 HA VAL 32 HA VAL 32 1.585 -6.768 5.194 237 HB VAL 32 HB VAL 32 4.516 -6.344 4.554 238 HG11 VAL 32 1HG1 VAL 32 4.655 -5.352 6.796 239 HG12 VAL 32 2HG1 VAL 32 2.916 -5.559 6.990 240 HG13 VAL 32 3HG1 VAL 32 3.540 -4.473 5.751 241 HG21 VAL 32 1HG2 VAL 32 5.017 -7.761 6.490 242 HG22 VAL 32 2HG2 VAL 32 4.147 -8.650 5.239 243 HG23 VAL 32 3HG2 VAL 32 3.297 -8.099 6.680 244 H CYS 33 H CYS 33 0.746 -4.873 4.911 245 HA CYS 33 HA CYS 33 1.133 -3.406 2.491 246 HB2 CYS 33 2HB CYS 33 -0.684 -3.199 4.839 247 HB3 CYS 33 1HB CYS 33 -0.292 -1.710 3.984 248 H ASN 34 H ASN 34 2.865 -2.255 2.212 249 HA ASN 34 HA ASN 34 3.925 -0.805 4.528 250 HB2 ASN 34 2HB ASN 34 5.405 -1.960 2.168 251 HB3 ASN 34 1HB ASN 34 6.118 -0.874 3.340 252 HD21 ASN 34 1HD2 ASN 34 5.029 -4.062 2.690 253 HD22 ASN 34 2HD2 ASN 34 5.714 -4.792 4.107 254 H CYS 35 H CYS 35 4.501 1.292 4.188 255 HA CYS 35 HA CYS 35 3.776 2.437 1.572 256 HB2 CYS 35 2HB CYS 35 3.689 3.751 4.299 257 HB3 CYS 35 1HB CYS 35 3.290 4.533 2.775 258 H ARG 36 H ARG 36 5.440 3.245 0.429 259 HA ARG 36 HA ARG 36 7.459 4.895 1.281 260 HB2 ARG 36 2HB ARG 36 8.191 2.926 2.662 261 HB3 ARG 36 1HB ARG 36 8.463 2.048 1.167 262 HG2 ARG 36 2HG ARG 36 10.155 3.654 0.523 263 HG3 ARG 36 1HG ARG 36 9.867 4.557 2.016 264 HD2 ARG 36 2HD ARG 36 10.447 2.544 3.310 265 HD3 ARG 36 1HD ARG 36 10.812 1.712 1.802 266 HE ARG 36 HE ARG 36 12.276 4.081 1.942 267 HH11 ARG 36 1HH1 ARG 36 12.117 0.898 3.478 268 HH12 ARG 36 2HH1 ARG 36 13.774 0.824 3.848 269 HH21 ARG 36 1HH2 ARG 36 14.585 3.970 2.461 270 HH22 ARG 36 2HH2 ARG 36 15.196 2.600 3.268 271 H ARG 37 H ARG 37 6.735 2.113 -0.791 272 HA ARG 37 HA ARG 37 8.523 3.027 -2.872 273 HB2 ARG 37 2HB ARG 37 6.695 0.633 -2.740 274 HB3 ARG 37 1HB ARG 37 7.849 0.970 -4.022 275 HG2 ARG 37 2HG ARG 37 8.556 0.546 -1.148 276 HG3 ARG 37 1HG ARG 37 8.606 -0.716 -2.376 277 HD2 ARG 37 2HD ARG 37 10.193 1.835 -2.332 278 HD3 ARG 37 1HD ARG 37 10.796 0.198 -2.019 279 HE ARG 37 HE ARG 37 9.929 -0.237 -4.375 280 HH11 ARG 37 1HH1 ARG 37 11.510 2.752 -3.345 281 HH12 ARG 37 2HH1 ARG 37 12.063 3.168 -4.904 282 HH21 ARG 37 1HH2 ARG 37 10.733 0.332 -6.534 283 HH22 ARG 37 2HH2 ARG 37 11.611 1.777 -6.731 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -9.436 0.058 5.531 2 H2 GLY 1 2HT GLY 1 -9.109 -1.474 4.866 3 H3 GLY 1 3HT GLY 1 -8.852 -0.090 3.950 4 HA2 GLY 1 1HA GLY 1 -7.098 0.608 5.387 5 HA3 GLY 1 2HA GLY 1 -7.367 -0.827 6.378 6 H ILE 2 H ILE 2 -4.965 -0.866 5.642 7 HA ILE 2 HA ILE 2 -4.638 -1.845 2.961 8 HB ILE 2 HB ILE 2 -2.226 -2.105 3.615 9 HG12 ILE 2 2HG1 ILE 2 -3.173 -0.706 6.134 10 HG13 ILE 2 1HG1 ILE 2 -2.435 -2.296 6.033 11 HG21 ILE 2 1HG2 ILE 2 -1.794 0.310 3.542 12 HG22 ILE 2 2HG2 ILE 2 -3.514 0.595 3.823 13 HG23 ILE 2 3HG2 ILE 2 -2.980 -0.232 2.358 14 HD11 ILE 2 1HD1 ILE 2 -0.871 -0.634 6.844 15 HD12 ILE 2 2HD1 ILE 2 -1.132 0.316 5.375 16 HD13 ILE 2 3HD1 ILE 2 -0.358 -1.266 5.272 17 H THR 3 H THR 3 -4.920 -3.759 2.395 18 HA THR 3 HA THR 3 -4.110 -6.044 4.004 19 HB THR 3 HB THR 3 -6.843 -5.759 2.710 20 HG1 THR 3 1HG THR 3 -6.047 -4.801 4.999 21 HG21 THR 3 1HG2 THR 3 -7.372 -7.880 3.860 22 HG22 THR 3 2HG2 THR 3 -5.725 -7.946 4.486 23 HG23 THR 3 3HG2 THR 3 -6.016 -8.073 2.749 24 H CYS 4 H CYS 4 -3.506 -7.802 2.543 25 HA CYS 4 HA CYS 4 -3.291 -6.819 -0.190 26 HB2 CYS 4 2HB CYS 4 -1.596 -8.822 1.262 27 HB3 CYS 4 1HB CYS 4 -1.387 -8.346 -0.423 28 H ASP 5 H ASP 5 -5.034 -7.494 -1.220 29 HA ASP 5 HA ASP 5 -5.710 -10.342 -1.179 30 HB2 ASP 5 2HB ASP 5 -7.585 -8.738 -1.068 31 HB3 ASP 5 1HB ASP 5 -6.995 -7.955 -2.528 32 H LEU 6 H LEU 6 -4.463 -7.742 -3.117 33 HA LEU 6 HA LEU 6 -3.464 -9.670 -5.067 34 HB2 LEU 6 2HB LEU 6 -4.048 -6.715 -5.414 35 HB3 LEU 6 1HB LEU 6 -3.336 -7.742 -6.639 36 HG LEU 6 HG LEU 6 -6.137 -7.984 -5.551 37 HD11 LEU 6 1HD1 LEU 6 -5.101 -6.966 -8.191 38 HD12 LEU 6 2HD1 LEU 6 -5.843 -5.997 -6.917 39 HD13 LEU 6 3HD1 LEU 6 -6.798 -7.204 -7.778 40 HD21 LEU 6 1HD2 LEU 6 -4.733 -9.472 -7.770 41 HD22 LEU 6 2HD2 LEU 6 -6.450 -9.581 -7.389 42 HD23 LEU 6 3HD2 LEU 6 -5.255 -10.146 -6.224 43 H ILE 7 H ILE 7 -1.278 -9.436 -5.489 44 HA ILE 7 HA ILE 7 0.173 -7.872 -3.570 45 HB ILE 7 HB ILE 7 1.099 -9.973 -5.534 46 HG12 ILE 7 2HG1 ILE 7 1.674 -11.171 -3.490 47 HG13 ILE 7 1HG1 ILE 7 0.765 -10.006 -2.529 48 HG21 ILE 7 1HG2 ILE 7 2.873 -8.332 -5.201 49 HG22 ILE 7 2HG2 ILE 7 3.285 -9.854 -4.412 50 HG23 ILE 7 3HG2 ILE 7 2.712 -8.492 -3.452 51 HD11 ILE 7 1HD1 ILE 7 -1.264 -10.719 -3.820 52 HD12 ILE 7 2HD1 ILE 7 -0.561 -12.001 -2.843 53 HD13 ILE 7 3HD1 ILE 7 -0.277 -11.964 -4.586 54 H GLY 8 H GLY 8 0.703 -6.004 -4.049 55 HA2 GLY 8 2HA GLY 8 1.821 -4.227 -5.155 56 HA3 GLY 8 1HA GLY 8 2.091 -5.308 -6.509 57 H ASN 9 H ASN 9 -0.597 -5.964 -6.976 58 HA ASN 9 HA ASN 9 -1.484 -3.651 -8.520 59 HB2 ASN 9 2HB ASN 9 -2.615 -6.445 -8.237 60 HB3 ASN 9 1HB ASN 9 -3.277 -5.221 -9.302 61 HD21 ASN 9 1HD2 ASN 9 -2.965 -6.505 -11.069 62 HD22 ASN 9 2HD2 ASN 9 -1.404 -6.821 -11.725 63 H GLU 10 H GLU 10 -1.666 -4.305 -5.564 64 HA GLU 10 HA GLU 10 -4.434 -4.236 -4.919 65 HB2 GLU 10 2HB GLU 10 -2.930 -5.643 -3.751 66 HB3 GLU 10 1HB GLU 10 -1.867 -4.341 -3.325 67 HG2 GLU 10 2HG GLU 10 -3.130 -5.088 -1.477 68 HG3 GLU 10 1HG GLU 10 -3.612 -3.444 -1.909 69 H ARG 11 H ARG 11 -4.620 -2.244 -6.097 70 HA ARG 11 HA ARG 11 -3.482 0.212 -5.402 71 HB2 ARG 11 2HB ARG 11 -6.194 -0.288 -6.584 72 HB3 ARG 11 1HB ARG 11 -5.410 1.281 -6.511 73 HG2 ARG 11 2HG ARG 11 -3.544 0.275 -7.876 74 HG3 ARG 11 1HG ARG 11 -4.589 -1.131 -8.108 75 HD2 ARG 11 2HD ARG 11 -4.820 0.398 -9.983 76 HD3 ARG 11 1HD ARG 11 -6.321 0.343 -9.050 77 HE ARG 11 HE ARG 11 -4.458 2.415 -8.316 78 HH11 ARG 11 1HH1 ARG 11 -7.338 1.644 -10.223 79 HH12 ARG 11 2HH1 ARG 11 -7.833 3.264 -10.378 80 HH21 ARG 11 1HH2 ARG 11 -5.127 4.615 -8.534 81 HH22 ARG 11 2HH2 ARG 11 -6.553 5.001 -9.390 82 H LEU 12 H LEU 12 -6.174 -1.475 -3.971 83 HA LEU 12 HA LEU 12 -7.174 0.670 -2.432 84 HB2 LEU 12 2HB LEU 12 -7.325 -2.300 -1.944 85 HB3 LEU 12 1HB LEU 12 -8.226 -1.103 -1.036 86 HG LEU 12 HG LEU 12 -8.529 -1.620 -3.997 87 HD11 LEU 12 1HD1 LEU 12 -9.321 -3.489 -2.655 88 HD12 LEU 12 2HD1 LEU 12 -10.663 -2.616 -3.394 89 HD13 LEU 12 3HD1 LEU 12 -10.296 -2.385 -1.683 90 HD21 LEU 12 1HD2 LEU 12 -9.056 0.690 -3.401 91 HD22 LEU 12 2HD2 LEU 12 -10.110 0.126 -2.106 92 HD23 LEU 12 3HD2 LEU 12 -10.527 -0.204 -3.786 93 H CYS 13 H CYS 13 -4.369 -1.253 -2.105 94 HA CYS 13 HA CYS 13 -3.997 -0.561 0.665 95 HB2 CYS 13 2HB CYS 13 -3.125 -2.701 0.011 96 HB3 CYS 13 1HB CYS 13 -2.296 -1.999 -1.379 97 H VAL 14 H VAL 14 -2.578 0.131 -2.478 98 HA VAL 14 HA VAL 14 -0.579 1.927 -1.773 99 HB VAL 14 HB VAL 14 -2.228 2.133 -4.284 100 HG11 VAL 14 1HG1 VAL 14 -0.127 2.918 -5.315 101 HG12 VAL 14 2HG1 VAL 14 0.650 2.842 -3.735 102 HG13 VAL 14 3HG1 VAL 14 -0.681 3.966 -4.009 103 HG21 VAL 14 1HG2 VAL 14 -1.582 -0.192 -4.017 104 HG22 VAL 14 2HG2 VAL 14 0.095 0.278 -3.745 105 HG23 VAL 14 3HG2 VAL 14 -0.651 0.538 -5.322 106 H VAL 15 H VAL 15 -3.998 2.541 -2.426 107 HA VAL 15 HA VAL 15 -3.867 5.335 -2.470 108 HB VAL 15 HB VAL 15 -5.770 3.971 -3.304 109 HG11 VAL 15 1HG1 VAL 15 -6.066 2.435 -1.497 110 HG12 VAL 15 2HG1 VAL 15 -7.571 3.310 -1.795 111 HG13 VAL 15 3HG1 VAL 15 -6.549 3.744 -0.421 112 HG21 VAL 15 1HG2 VAL 15 -6.479 6.196 -1.411 113 HG22 VAL 15 2HG2 VAL 15 -7.546 5.570 -2.667 114 HG23 VAL 15 3HG2 VAL 15 -6.030 6.361 -3.109 115 H HIS 16 H HIS 16 -3.906 3.153 0.237 116 HA HIS 16 HA HIS 16 -4.697 5.086 2.203 117 HB2 HIS 16 2HB HIS 16 -4.899 2.652 2.672 118 HB3 HIS 16 1HB HIS 16 -3.170 2.482 2.470 119 HD1 HIS 16 1HD HIS 16 -5.605 4.219 4.869 120 HD2 HIS 16 2HD HIS 16 -1.762 2.643 4.725 121 HE1 HIS 16 1HE HIS 16 -4.744 4.303 7.215 122 H CYS 17 H CYS 17 -1.695 3.889 0.933 123 HA CYS 17 HA CYS 17 0.096 5.373 2.562 124 HB2 CYS 17 2HB CYS 17 0.496 4.458 -0.276 125 HB3 CYS 17 1HB CYS 17 1.721 4.706 0.964 126 H LEU 18 H LEU 18 -1.397 5.946 -0.579 127 HA LEU 18 HA LEU 18 -0.147 8.429 -1.116 128 HB2 LEU 18 2HB LEU 18 -2.844 7.461 -2.070 129 HB3 LEU 18 1HB LEU 18 -1.917 8.769 -2.768 130 HG LEU 18 HG LEU 18 -1.157 5.849 -2.786 131 HD11 LEU 18 1HD1 LEU 18 -3.011 6.339 -4.270 132 HD12 LEU 18 2HD1 LEU 18 -1.549 5.997 -5.193 133 HD13 LEU 18 3HD1 LEU 18 -2.100 7.660 -4.998 134 HD21 LEU 18 1HD2 LEU 18 0.221 8.223 -4.045 135 HD22 LEU 18 2HD2 LEU 18 0.656 6.534 -4.293 136 HD23 LEU 18 3HD2 LEU 18 0.832 7.261 -2.697 137 H ALA 19 H ALA 19 -3.039 7.563 0.670 138 HA ALA 19 HA ALA 19 -4.053 10.182 1.037 139 HB1 ALA 19 1HB ALA 19 -5.349 9.182 2.882 140 HB2 ALA 19 2HB ALA 19 -4.399 7.703 2.726 141 HB3 ALA 19 3HB ALA 19 -5.441 8.229 1.403 142 H LYS 20 H LYS 20 -1.950 8.111 2.982 143 HA LYS 20 HA LYS 20 -1.559 10.059 5.011 144 HB2 LYS 20 2HB LYS 20 -0.052 7.553 4.332 145 HB3 LYS 20 1HB LYS 20 0.452 8.615 5.642 146 HG2 LYS 20 2HG LYS 20 -1.740 8.306 6.705 147 HG3 LYS 20 1HG LYS 20 -2.205 7.211 5.406 148 HD2 LYS 20 2HD LYS 20 -0.491 5.662 6.013 149 HD3 LYS 20 1HD LYS 20 0.183 6.791 7.192 150 HE2 LYS 20 2HE LYS 20 -1.863 6.668 8.500 151 HE3 LYS 20 1HE LYS 20 -2.580 5.602 7.297 152 HZ1 LYS 20 1HZ LYS 20 -0.184 4.983 8.914 153 HZ2 LYS 20 2HZ LYS 20 -0.925 3.941 7.808 154 HZ3 LYS 20 3HZ LYS 20 -1.731 4.395 9.206 155 H GLY 21 H GLY 21 -0.161 9.667 1.928 156 HA2 GLY 21 2HA GLY 21 0.716 11.786 1.037 157 HA3 GLY 21 1HA GLY 21 1.522 12.014 2.583 158 H PHE 22 H PHE 22 1.594 8.866 1.623 159 HA PHE 22 HA PHE 22 4.409 8.887 1.157 160 HB2 PHE 22 2HB PHE 22 2.273 6.814 1.180 161 HB3 PHE 22 1HB PHE 22 3.858 6.364 0.606 162 HD1 PHE 22 1HD PHE 22 1.763 6.908 3.432 163 HD2 PHE 22 2HD PHE 22 5.775 6.718 2.102 164 HE1 PHE 22 1HE PHE 22 2.507 6.489 5.733 165 HE2 PHE 22 2HE PHE 22 6.541 6.308 4.290 166 HZ PHE 22 HZ PHE 22 4.914 6.180 6.202 167 H ARG 23 H ARG 23 5.403 8.027 -0.696 168 HA ARG 23 HA ARG 23 4.286 8.901 -3.182 169 HB2 ARG 23 2HB ARG 23 6.755 8.875 -2.754 170 HB3 ARG 23 1HB ARG 23 6.690 7.119 -2.673 171 HG2 ARG 23 2HG ARG 23 5.751 7.187 -5.030 172 HG3 ARG 23 1HG ARG 23 6.236 8.882 -5.059 173 HD2 ARG 23 2HD ARG 23 8.041 6.527 -4.561 174 HD3 ARG 23 1HD ARG 23 7.929 7.433 -6.067 175 HE ARG 23 HE ARG 23 8.549 9.350 -4.359 176 HH11 ARG 23 1HH1 ARG 23 9.889 6.108 -4.637 177 HH12 ARG 23 2HH1 ARG 23 11.480 6.524 -4.210 178 HH21 ARG 23 1HH2 ARG 23 10.729 9.977 -3.727 179 HH22 ARG 23 2HH2 ARG 23 11.969 8.811 -3.699 180 H GLY 24 H GLY 24 4.388 6.007 -1.240 181 HA2 GLY 24 2HA GLY 24 2.213 4.882 -2.407 182 HA3 GLY 24 1HA GLY 24 3.548 4.350 -3.406 183 H GLY 25 H GLY 25 2.139 2.518 -2.423 184 HA2 GLY 25 2HA GLY 25 3.636 1.358 -0.246 185 HA3 GLY 25 1HA GLY 25 1.874 1.489 -0.163 186 H TRP 26 H TRP 26 3.424 -0.910 -0.220 187 HA TRP 26 HA TRP 26 2.209 -2.207 -2.508 188 HB2 TRP 26 2HB TRP 26 4.263 -3.134 -3.378 189 HB3 TRP 26 1HB TRP 26 4.450 -1.389 -3.320 190 HD1 TRP 26 HD TRP 26 6.177 -4.505 -2.336 191 HE1 TRP 26 1HE TRP 26 8.184 -3.999 -0.780 192 HE3 TRP 26 3HE TRP 26 5.139 0.334 -1.180 193 HZ2 TRP 26 2HZ TRP 26 9.155 -1.852 0.742 194 HZ3 TRP 26 3HZ TRP 26 6.621 1.543 0.339 195 HH2 TRP 26 HH TRP 26 8.605 0.466 1.272 196 H CYS 27 H CYS 27 2.089 -4.418 -2.197 197 HA CYS 27 HA CYS 27 2.509 -5.394 0.479 198 HB2 CYS 27 2HB CYS 27 1.525 -6.754 -2.026 199 HB3 CYS 27 1HB CYS 27 1.495 -7.442 -0.403 200 H ASP 28 H ASP 28 4.371 -6.274 1.062 201 HA ASP 28 HA ASP 28 6.287 -7.013 -0.991 202 HB2 ASP 28 2HB ASP 28 7.942 -7.204 0.752 203 HB3 ASP 28 1HB ASP 28 7.015 -5.752 1.074 204 H SER 29 H SER 29 7.654 -9.150 0.103 205 HA SER 29 HA SER 29 6.180 -11.283 -0.883 206 HB2 SER 29 2HB SER 29 8.142 -12.588 0.182 207 HB3 SER 29 1HB SER 29 8.502 -11.411 -1.084 208 HG SER 29 HG SER 29 9.877 -10.765 0.438 209 H ARG 30 H ARG 30 6.326 -9.988 2.323 210 HA ARG 30 HA ARG 30 5.295 -12.387 3.619 211 HB2 ARG 30 2HB ARG 30 5.674 -9.595 4.669 212 HB3 ARG 30 1HB ARG 30 5.329 -11.023 5.628 213 HG2 ARG 30 2HG ARG 30 7.473 -11.911 5.255 214 HG3 ARG 30 1HG ARG 30 7.793 -10.775 3.935 215 HD2 ARG 30 2HD ARG 30 7.445 -10.079 6.850 216 HD3 ARG 30 1HD ARG 30 8.955 -10.050 5.928 217 HE ARG 30 HE ARG 30 7.280 -8.480 4.501 218 HH11 ARG 30 1HH1 ARG 30 8.619 -8.350 7.771 219 HH12 ARG 30 2HH1 ARG 30 8.302 -6.689 7.985 220 HH21 ARG 30 1HH2 ARG 30 6.859 -6.274 4.760 221 HH22 ARG 30 2HH2 ARG 30 7.294 -5.424 6.189 222 H LYS 31 H LYS 31 3.897 -10.240 1.629 223 HA LYS 31 HA LYS 31 1.773 -9.601 1.133 224 HB2 LYS 31 2HB LYS 31 0.926 -11.399 3.428 225 HB3 LYS 31 1HB LYS 31 -0.156 -10.698 2.241 226 HG2 LYS 31 2HG LYS 31 2.013 -12.717 1.689 227 HG3 LYS 31 1HG LYS 31 0.286 -13.053 1.785 228 HD2 LYS 31 2HD LYS 31 -0.061 -11.506 -0.127 229 HD3 LYS 31 1HD LYS 31 1.688 -11.321 -0.243 230 HE2 LYS 31 2HE LYS 31 0.935 -12.974 -1.850 231 HE3 LYS 31 1HE LYS 31 1.917 -13.731 -0.608 232 HZ1 LYS 31 1HZ LYS 31 -0.083 -14.551 0.464 233 HZ2 LYS 31 2HZ LYS 31 -0.077 -15.025 -1.142 234 HZ3 LYS 31 3HZ LYS 31 -1.060 -13.762 -0.657 235 H VAL 32 H VAL 32 3.424 -8.222 3.084 236 HA VAL 32 HA VAL 32 1.407 -6.884 4.751 237 HB VAL 32 HB VAL 32 4.439 -6.676 4.823 238 HG11 VAL 32 1HG1 VAL 32 4.122 -5.520 6.966 239 HG12 VAL 32 2HG1 VAL 32 2.374 -5.594 6.741 240 HG13 VAL 32 3HG1 VAL 32 3.364 -4.644 5.635 241 HG21 VAL 32 1HG2 VAL 32 2.579 -8.137 6.690 242 HG22 VAL 32 2HG2 VAL 32 4.325 -7.962 6.888 243 HG23 VAL 32 3HG2 VAL 32 3.677 -8.881 5.528 244 H CYS 33 H CYS 33 0.760 -4.926 4.312 245 HA CYS 33 HA CYS 33 1.690 -3.576 1.982 246 HB2 CYS 33 2HB CYS 33 -0.352 -3.060 4.073 247 HB3 CYS 33 1HB CYS 33 0.196 -1.743 3.057 248 H ASN 34 H ASN 34 3.404 -2.392 1.962 249 HA ASN 34 HA ASN 34 4.212 -0.976 4.421 250 HB2 ASN 34 2HB ASN 34 5.969 -1.668 2.050 251 HB3 ASN 34 1HB ASN 34 6.482 -0.996 3.589 252 HD21 ASN 34 1HD2 ASN 34 5.501 -3.781 1.876 253 HD22 ASN 34 2HD2 ASN 34 5.909 -4.968 3.056 254 H CYS 35 H CYS 35 4.169 1.170 4.201 255 HA CYS 35 HA CYS 35 4.087 2.350 1.470 256 HB2 CYS 35 2HB CYS 35 3.218 3.639 4.062 257 HB3 CYS 35 1HB CYS 35 2.900 4.205 2.435 258 H ARG 36 H ARG 36 5.872 3.440 0.970 259 HA ARG 36 HA ARG 36 7.464 4.879 2.776 260 HB2 ARG 36 2HB ARG 36 7.718 2.651 3.874 261 HB3 ARG 36 1HB ARG 36 8.525 2.077 2.429 262 HG2 ARG 36 2HG ARG 36 10.278 3.713 2.768 263 HG3 ARG 36 1HG ARG 36 9.459 4.275 4.234 264 HD2 ARG 36 2HD ARG 36 9.604 1.985 5.147 265 HD3 ARG 36 1HD ARG 36 10.509 1.506 3.717 266 HE ARG 36 HE ARG 36 11.824 3.650 4.819 267 HH11 ARG 36 1HH1 ARG 36 11.042 0.310 5.682 268 HH12 ARG 36 2HH1 ARG 36 12.337 0.123 6.768 269 HH21 ARG 36 1HH2 ARG 36 13.624 3.400 6.323 270 HH22 ARG 36 2HH2 ARG 36 13.819 1.936 7.158 271 H ARG 37 H ARG 37 7.193 3.103 -0.227 272 HA ARG 37 HA ARG 37 9.755 4.179 -0.940 273 HB2 ARG 37 2HB ARG 37 9.973 2.467 -2.664 274 HB3 ARG 37 1HB ARG 37 9.332 1.753 -1.190 275 HG2 ARG 37 2HG ARG 37 7.253 1.421 -2.046 276 HG3 ARG 37 1HG ARG 37 7.549 2.468 -3.449 277 HD2 ARG 37 2HD ARG 37 8.948 -0.141 -2.852 278 HD3 ARG 37 1HD ARG 37 7.674 0.080 -4.052 279 HE ARG 37 HE ARG 37 9.654 1.928 -4.606 280 HH11 ARG 37 1HH1 ARG 37 9.401 -1.622 -4.591 281 HH12 ARG 37 2HH1 ARG 37 10.539 -1.847 -5.815 282 HH21 ARG 37 1HH2 ARG 37 11.224 1.599 -6.285 283 HH22 ARG 37 2HH2 ARG 37 11.621 0.039 -6.800 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -6.602 -3.652 9.232 2 H2 GLY 1 2HT GLY 1 -6.712 -2.357 10.286 3 H3 GLY 1 3HT GLY 1 -5.459 -2.420 9.166 4 HA2 GLY 1 1HA GLY 1 -8.336 -2.123 8.560 5 HA3 GLY 1 2HA GLY 1 -7.111 -0.858 8.430 6 H ILE 2 H ILE 2 -5.176 -1.537 7.014 7 HA ILE 2 HA ILE 2 -6.327 -2.122 4.494 8 HB ILE 2 HB ILE 2 -3.900 -1.958 3.677 9 HG12 ILE 2 2HG1 ILE 2 -3.541 -1.085 6.559 10 HG13 ILE 2 1HG1 ILE 2 -2.689 -2.368 5.717 11 HG21 ILE 2 1HG2 ILE 2 -5.474 -0.198 3.330 12 HG22 ILE 2 2HG2 ILE 2 -3.927 0.498 3.821 13 HG23 ILE 2 3HG2 ILE 2 -5.255 0.384 4.980 14 HD11 ILE 2 1HD1 ILE 2 -1.616 -0.663 4.299 15 HD12 ILE 2 2HD1 ILE 2 -1.251 -0.462 6.010 16 HD13 ILE 2 3HD1 ILE 2 -2.432 0.592 5.230 17 H THR 3 H THR 3 -5.824 -3.750 3.082 18 HA THR 3 HA THR 3 -4.782 -6.234 4.256 19 HB THR 3 HB THR 3 -7.371 -6.058 2.700 20 HG1 THR 3 1HG THR 3 -6.799 -5.863 5.447 21 HG21 THR 3 1HG2 THR 3 -7.735 -8.336 3.558 22 HG22 THR 3 2HG2 THR 3 -6.193 -8.270 4.407 23 HG23 THR 3 3HG2 THR 3 -6.229 -8.245 2.645 24 H CYS 4 H CYS 4 -3.834 -7.579 2.701 25 HA CYS 4 HA CYS 4 -3.678 -6.456 0.008 26 HB2 CYS 4 2HB CYS 4 -1.808 -8.352 1.410 27 HB3 CYS 4 1HB CYS 4 -1.628 -7.779 -0.246 28 H ASP 5 H ASP 5 -4.795 -7.477 -1.493 29 HA ASP 5 HA ASP 5 -5.367 -10.304 -1.087 30 HB2 ASP 5 2HB ASP 5 -7.273 -8.838 -1.685 31 HB3 ASP 5 1HB ASP 5 -6.433 -8.368 -3.160 32 H LEU 6 H LEU 6 -4.049 -7.937 -3.341 33 HA LEU 6 HA LEU 6 -2.607 -10.081 -4.674 34 HB2 LEU 6 2HB LEU 6 -3.200 -7.253 -5.538 35 HB3 LEU 6 1HB LEU 6 -2.193 -8.373 -6.427 36 HG LEU 6 HG LEU 6 -5.145 -8.703 -5.900 37 HD11 LEU 6 1HD1 LEU 6 -4.621 -6.903 -7.480 38 HD12 LEU 6 2HD1 LEU 6 -5.392 -8.267 -8.280 39 HD13 LEU 6 3HD1 LEU 6 -3.652 -8.027 -8.433 40 HD21 LEU 6 1HD2 LEU 6 -4.023 -10.862 -6.039 41 HD22 LEU 6 2HD2 LEU 6 -3.221 -10.367 -7.527 42 HD23 LEU 6 3HD2 LEU 6 -4.970 -10.575 -7.499 43 H ILE 7 H ILE 7 -0.523 -9.354 -5.416 44 HA ILE 7 HA ILE 7 0.937 -7.832 -3.386 45 HB ILE 7 HB ILE 7 1.872 -10.121 -5.163 46 HG12 ILE 7 2HG1 ILE 7 1.454 -9.975 -2.172 47 HG13 ILE 7 1HG1 ILE 7 0.434 -10.827 -3.310 48 HG21 ILE 7 1HG2 ILE 7 3.675 -8.517 -4.833 49 HG22 ILE 7 2HG2 ILE 7 4.000 -10.003 -3.938 50 HG23 ILE 7 3HG2 ILE 7 3.424 -8.571 -3.088 51 HD11 ILE 7 1HD1 ILE 7 1.916 -12.345 -2.096 52 HD12 ILE 7 2HD1 ILE 7 3.316 -11.488 -2.753 53 HD13 ILE 7 3HD1 ILE 7 2.228 -12.359 -3.829 54 H GLY 8 H GLY 8 2.047 -6.107 -4.122 55 HA2 GLY 8 2HA GLY 8 2.983 -4.565 -5.559 56 HA3 GLY 8 1HA GLY 8 2.933 -5.785 -6.812 57 H ASN 9 H ASN 9 0.056 -6.103 -6.690 58 HA ASN 9 HA ASN 9 -0.656 -3.761 -8.346 59 HB2 ASN 9 2HB ASN 9 -1.698 -6.590 -8.292 60 HB3 ASN 9 1HB ASN 9 -2.406 -5.315 -9.271 61 HD21 ASN 9 1HD2 ASN 9 0.384 -7.413 -8.845 62 HD22 ASN 9 2HD2 ASN 9 1.055 -7.095 -10.385 63 H GLU 10 H GLU 10 -0.924 -4.342 -5.386 64 HA GLU 10 HA GLU 10 -3.780 -4.388 -5.026 65 HB2 GLU 10 2HB GLU 10 -2.377 -5.794 -3.671 66 HB3 GLU 10 1HB GLU 10 -1.492 -4.430 -3.047 67 HG2 GLU 10 2HG GLU 10 -3.048 -5.306 -1.468 68 HG3 GLU 10 1HG GLU 10 -3.502 -3.659 -1.929 69 H ARG 11 H ARG 11 -3.774 -2.346 -6.248 70 HA ARG 11 HA ARG 11 -2.790 0.081 -5.205 71 HB2 ARG 11 2HB ARG 11 -3.360 -0.240 -7.563 72 HB3 ARG 11 1HB ARG 11 -5.056 -0.328 -7.135 73 HG2 ARG 11 2HG ARG 11 -5.118 1.960 -6.492 74 HG3 ARG 11 1HG ARG 11 -3.361 2.097 -6.593 75 HD2 ARG 11 2HD ARG 11 -5.167 1.480 -8.924 76 HD3 ARG 11 1HD ARG 11 -4.544 3.085 -8.529 77 HE ARG 11 HE ARG 11 -2.291 1.802 -8.672 78 HH11 ARG 11 1HH1 ARG 11 -5.063 1.433 -10.852 79 HH12 ARG 11 2HH1 ARG 11 -4.115 1.062 -12.208 80 HH21 ARG 11 1HH2 ARG 11 -1.004 1.289 -10.544 81 HH22 ARG 11 2HH2 ARG 11 -1.771 0.977 -12.033 82 H LEU 12 H LEU 12 -5.664 -1.659 -4.546 83 HA LEU 12 HA LEU 12 -7.111 0.421 -3.301 84 HB2 LEU 12 2HB LEU 12 -7.220 -2.555 -2.845 85 HB3 LEU 12 1HB LEU 12 -8.314 -1.416 -2.088 86 HG LEU 12 HG LEU 12 -8.073 -1.864 -5.065 87 HD11 LEU 12 1HD1 LEU 12 -10.207 -2.720 -3.115 88 HD12 LEU 12 2HD1 LEU 12 -9.050 -3.781 -3.919 89 HD13 LEU 12 3HD1 LEU 12 -10.260 -2.922 -4.867 90 HD21 LEU 12 1HD2 LEU 12 -9.997 -0.203 -3.442 91 HD22 LEU 12 2HD2 LEU 12 -10.095 -0.485 -5.176 92 HD23 LEU 12 3HD2 LEU 12 -8.741 0.417 -4.514 93 H CYS 13 H CYS 13 -4.405 -1.455 -2.219 94 HA CYS 13 HA CYS 13 -4.757 -0.373 0.433 95 HB2 CYS 13 2HB CYS 13 -3.811 -2.612 0.316 96 HB3 CYS 13 1HB CYS 13 -2.500 -2.037 -0.716 97 H VAL 14 H VAL 14 -2.809 0.078 -2.423 98 HA VAL 14 HA VAL 14 -0.845 1.840 -1.558 99 HB VAL 14 HB VAL 14 -2.218 1.885 -4.256 100 HG11 VAL 14 1HG1 VAL 14 0.530 2.830 -3.457 101 HG12 VAL 14 2HG1 VAL 14 -0.833 3.847 -3.924 102 HG13 VAL 14 3HG1 VAL 14 -0.091 2.769 -5.107 103 HG21 VAL 14 1HG2 VAL 14 -1.409 -0.356 -3.687 104 HG22 VAL 14 2HG2 VAL 14 0.195 0.307 -3.378 105 HG23 VAL 14 3HG2 VAL 14 -0.480 0.354 -5.005 106 H VAL 15 H VAL 15 -4.169 2.506 -2.467 107 HA VAL 15 HA VAL 15 -4.086 5.272 -2.648 108 HB VAL 15 HB VAL 15 -6.060 3.888 -3.270 109 HG11 VAL 15 1HG1 VAL 15 -6.205 2.426 -1.384 110 HG12 VAL 15 2HG1 VAL 15 -7.733 3.291 -1.587 111 HG13 VAL 15 3HG1 VAL 15 -6.598 3.779 -0.325 112 HG21 VAL 15 1HG2 VAL 15 -6.335 6.283 -3.136 113 HG22 VAL 15 2HG2 VAL 15 -6.667 6.180 -1.408 114 HG23 VAL 15 3HG2 VAL 15 -7.804 5.489 -2.566 115 H HIS 16 H HIS 16 -4.098 3.289 0.243 116 HA HIS 16 HA HIS 16 -4.679 5.339 2.117 117 HB2 HIS 16 2HB HIS 16 -4.932 3.065 2.839 118 HB3 HIS 16 1HB HIS 16 -3.301 2.655 2.345 119 HD1 HIS 16 1HD HIS 16 -4.984 4.852 5.019 120 HD2 HIS 16 2HD HIS 16 -1.521 2.679 4.308 121 HE1 HIS 16 1HE HIS 16 -3.625 4.985 7.148 122 H CYS 17 H CYS 17 -1.725 4.069 0.781 123 HA CYS 17 HA CYS 17 0.065 5.642 2.329 124 HB2 CYS 17 2HB CYS 17 0.546 4.532 -0.437 125 HB3 CYS 17 1HB CYS 17 1.744 4.897 0.806 126 H LEU 18 H LEU 18 -1.503 6.079 -0.790 127 HA LEU 18 HA LEU 18 -0.186 8.506 -1.479 128 HB2 LEU 18 2HB LEU 18 -2.859 7.457 -2.401 129 HB3 LEU 18 1HB LEU 18 -1.927 8.717 -3.182 130 HG LEU 18 HG LEU 18 -1.110 5.823 -2.942 131 HD11 LEU 18 1HD1 LEU 18 -2.103 7.398 -5.304 132 HD12 LEU 18 2HD1 LEU 18 -2.972 6.117 -4.459 133 HD13 LEU 18 3HD1 LEU 18 -1.498 5.742 -5.351 134 HD21 LEU 18 1HD2 LEU 18 0.834 7.303 -2.979 135 HD22 LEU 18 2HD2 LEU 18 0.205 8.113 -4.414 136 HD23 LEU 18 3HD2 LEU 18 0.693 6.423 -4.500 137 H ALA 19 H ALA 19 -3.099 7.721 0.316 138 HA ALA 19 HA ALA 19 -4.081 10.366 0.550 139 HB1 ALA 19 1HB ALA 19 -4.552 7.977 2.329 140 HB2 ALA 19 2HB ALA 19 -5.492 8.393 0.895 141 HB3 ALA 19 3HB ALA 19 -5.512 9.456 2.304 142 H LYS 20 H LYS 20 -1.897 8.396 2.442 143 HA LYS 20 HA LYS 20 -1.607 10.339 4.517 144 HB2 LYS 20 2HB LYS 20 0.158 8.010 3.779 145 HB3 LYS 20 1HB LYS 20 0.430 9.034 5.180 146 HG2 LYS 20 2HG LYS 20 -1.883 8.409 5.936 147 HG3 LYS 20 1HG LYS 20 -1.889 7.215 4.643 148 HD2 LYS 20 2HD LYS 20 0.218 7.362 6.771 149 HD3 LYS 20 1HD LYS 20 -1.215 6.326 6.898 150 HE2 LYS 20 2HE LYS 20 -0.436 5.238 4.781 151 HE3 LYS 20 1HE LYS 20 1.040 6.198 4.904 152 HZ1 LYS 20 1HZ LYS 20 0.054 4.271 6.929 153 HZ2 LYS 20 2HZ LYS 20 1.458 5.191 7.069 154 HZ3 LYS 20 3HZ LYS 20 1.362 4.002 5.899 155 H GLY 21 H GLY 21 -0.092 9.803 1.482 156 HA2 GLY 21 2HA GLY 21 0.843 11.729 0.378 157 HA3 GLY 21 1HA GLY 21 1.385 12.302 1.951 158 H PHE 22 H PHE 22 1.689 9.005 1.159 159 HA PHE 22 HA PHE 22 4.561 9.148 1.267 160 HB2 PHE 22 2HB PHE 22 2.500 7.065 1.502 161 HB3 PHE 22 1HB PHE 22 3.987 6.496 0.728 162 HD1 PHE 22 1HD PHE 22 2.497 8.049 3.712 163 HD2 PHE 22 2HD PHE 22 5.910 6.129 2.036 164 HE1 PHE 22 1HE PHE 22 3.473 7.818 5.942 165 HE2 PHE 22 2HE PHE 22 6.878 5.905 4.209 166 HZ PHE 22 HZ PHE 22 5.674 6.747 6.219 167 H ARG 23 H ARG 23 5.849 7.988 -0.400 168 HA ARG 23 HA ARG 23 5.096 9.008 -2.979 169 HB2 ARG 23 2HB ARG 23 7.479 7.315 -2.166 170 HB3 ARG 23 1HB ARG 23 7.231 7.963 -3.771 171 HG2 ARG 23 2HG ARG 23 8.883 9.259 -2.592 172 HG3 ARG 23 1HG ARG 23 7.438 10.236 -2.861 173 HD2 ARG 23 2HD ARG 23 8.421 10.545 -0.609 174 HD3 ARG 23 1HD ARG 23 6.767 9.939 -0.572 175 HE ARG 23 HE ARG 23 8.556 7.771 -0.497 176 HH11 ARG 23 1HH1 ARG 23 7.420 10.418 1.575 177 HH12 ARG 23 2HH1 ARG 23 7.725 9.602 3.040 178 HH21 ARG 23 1HH2 ARG 23 8.972 6.651 1.536 179 HH22 ARG 23 2HH2 ARG 23 8.659 7.421 3.010 180 H GLY 24 H GLY 24 4.893 6.124 -1.208 181 HA2 GLY 24 2HA GLY 24 2.845 5.130 -2.710 182 HA3 GLY 24 1HA GLY 24 4.314 4.488 -3.423 183 H GLY 25 H GLY 25 2.478 2.883 -2.577 184 HA2 GLY 25 2HA GLY 25 3.654 1.565 -0.307 185 HA3 GLY 25 1HA GLY 25 1.920 1.894 -0.321 186 H TRP 26 H TRP 26 3.192 -0.651 -0.376 187 HA TRP 26 HA TRP 26 1.751 -1.756 -2.587 188 HB2 TRP 26 2HB TRP 26 3.619 -2.833 -3.717 189 HB3 TRP 26 1HB TRP 26 3.882 -1.097 -3.709 190 HD1 TRP 26 HD TRP 26 5.679 -4.232 -3.090 191 HE1 TRP 26 1HE TRP 26 7.911 -3.767 -1.804 192 HE3 TRP 26 3HE TRP 26 4.865 0.512 -1.564 193 HZ2 TRP 26 2HZ TRP 26 9.079 -1.791 -0.371 194 HZ3 TRP 26 3HZ TRP 26 6.501 1.640 -0.246 195 HH2 TRP 26 HH TRP 26 8.617 0.568 0.356 196 H CYS 27 H CYS 27 1.461 -3.906 -2.347 197 HA CYS 27 HA CYS 27 2.142 -4.991 0.224 198 HB2 CYS 27 2HB CYS 27 0.539 -6.087 -2.076 199 HB3 CYS 27 1HB CYS 27 0.769 -6.909 -0.530 200 H ASP 28 H ASP 28 3.829 -6.149 0.534 201 HA ASP 28 HA ASP 28 5.398 -6.942 -1.792 202 HB2 ASP 28 2HB ASP 28 7.305 -7.069 -0.336 203 HB3 ASP 28 1HB ASP 28 6.372 -5.715 0.220 204 H SER 29 H SER 29 6.730 -9.163 -0.971 205 HA SER 29 HA SER 29 4.969 -11.208 -1.635 206 HB2 SER 29 2HB SER 29 7.665 -11.441 -0.318 207 HB3 SER 29 1HB SER 29 6.855 -12.660 -1.308 208 HG SER 29 HG SER 29 6.927 -11.156 -3.055 209 H ARG 30 H ARG 30 5.751 -9.906 1.504 210 HA ARG 30 HA ARG 30 4.891 -12.249 2.974 211 HB2 ARG 30 2HB ARG 30 5.425 -9.435 3.898 212 HB3 ARG 30 1HB ARG 30 5.176 -10.823 4.940 213 HG2 ARG 30 2HG ARG 30 7.254 -11.770 4.314 214 HG3 ARG 30 1HG ARG 30 7.430 -10.636 2.964 215 HD2 ARG 30 2HD ARG 30 7.423 -9.948 5.898 216 HD3 ARG 30 1HD ARG 30 8.818 -9.899 4.807 217 HE ARG 30 HE ARG 30 7.079 -8.343 3.538 218 HH11 ARG 30 1HH1 ARG 30 8.235 -8.233 6.877 219 HH12 ARG 30 2HH1 ARG 30 7.891 -6.580 7.084 220 HH21 ARG 30 1HH2 ARG 30 6.550 -6.194 3.824 221 HH22 ARG 30 2HH2 ARG 30 6.893 -5.314 5.248 222 H LYS 31 H LYS 31 3.180 -10.121 1.181 223 HA LYS 31 HA LYS 31 0.994 -9.502 1.028 224 HB2 LYS 31 2HB LYS 31 0.644 -11.325 3.423 225 HB3 LYS 31 1HB LYS 31 -0.690 -10.514 2.627 226 HG2 LYS 31 2HG LYS 31 1.156 -12.449 1.243 227 HG3 LYS 31 1HG LYS 31 -0.359 -12.908 2.019 228 HD2 LYS 31 2HD LYS 31 -1.546 -11.313 0.515 229 HD3 LYS 31 1HD LYS 31 -0.015 -11.022 -0.316 230 HE2 LYS 31 2HE LYS 31 0.136 -13.337 -0.964 231 HE3 LYS 31 1HE LYS 31 -1.284 -13.737 -0.004 232 HZ1 LYS 31 1HZ LYS 31 -1.281 -12.019 -2.452 233 HZ2 LYS 31 2HZ LYS 31 -2.623 -12.393 -1.494 234 HZ3 LYS 31 3HZ LYS 31 -1.821 -13.602 -2.311 235 H VAL 32 H VAL 32 2.998 -8.150 2.706 236 HA VAL 32 HA VAL 32 1.304 -6.749 4.635 237 HB VAL 32 HB VAL 32 4.306 -6.581 4.197 238 HG11 VAL 32 1HG1 VAL 32 2.602 -5.432 6.407 239 HG12 VAL 32 2HG1 VAL 32 3.404 -4.517 5.131 240 HG13 VAL 32 3HG1 VAL 32 4.363 -5.381 6.333 241 HG21 VAL 32 1HG2 VAL 32 3.632 -8.758 5.076 242 HG22 VAL 32 2HG2 VAL 32 2.767 -7.959 6.391 243 HG23 VAL 32 3HG2 VAL 32 4.522 -7.825 6.278 244 H CYS 33 H CYS 33 0.563 -4.843 4.254 245 HA CYS 33 HA CYS 33 1.103 -3.369 1.874 246 HB2 CYS 33 2HB CYS 33 -0.512 -2.900 4.376 247 HB3 CYS 33 1HB CYS 33 -0.169 -1.591 3.258 248 H ASN 34 H ASN 34 2.933 -2.212 1.662 249 HA ASN 34 HA ASN 34 4.126 -1.070 4.111 250 HB2 ASN 34 2HB ASN 34 5.563 -1.728 1.532 251 HB3 ASN 34 1HB ASN 34 6.283 -1.188 3.037 252 HD21 ASN 34 1HD2 ASN 34 4.934 -3.788 1.293 253 HD22 ASN 34 2HD2 ASN 34 5.408 -5.069 2.351 254 H CYS 35 H CYS 35 3.542 1.068 4.080 255 HA CYS 35 HA CYS 35 3.879 2.553 1.535 256 HB2 CYS 35 2HB CYS 35 3.133 3.682 4.254 257 HB3 CYS 35 1HB CYS 35 2.924 4.438 2.686 258 H ARG 36 H ARG 36 5.893 3.267 1.180 259 HA ARG 36 HA ARG 36 7.529 4.106 3.399 260 HB2 ARG 36 2HB ARG 36 7.432 1.700 3.807 261 HB3 ARG 36 1HB ARG 36 8.169 1.407 2.239 262 HG2 ARG 36 2HG ARG 36 10.188 2.485 2.951 263 HG3 ARG 36 1HG ARG 36 9.451 2.923 4.497 264 HD2 ARG 36 2HD ARG 36 9.127 0.531 4.970 265 HD3 ARG 36 1HD ARG 36 9.984 0.132 3.481 266 HE ARG 36 HE ARG 36 11.537 1.847 5.032 267 HH11 ARG 36 1HH1 ARG 36 10.422 -1.538 5.049 268 HH12 ARG 36 2HH1 ARG 36 11.746 -2.108 5.955 269 HH21 ARG 36 1HH2 ARG 36 13.321 1.031 6.373 270 HH22 ARG 36 2HH2 ARG 36 13.376 -0.636 6.734 271 H ARG 37 H ARG 37 7.477 2.837 0.177 272 HA ARG 37 HA ARG 37 9.925 3.993 -0.592 273 HB2 ARG 37 2HB ARG 37 9.369 3.235 -2.849 274 HB3 ARG 37 1HB ARG 37 8.740 2.043 -1.722 275 HG2 ARG 37 2HG ARG 37 6.575 2.782 -1.937 276 HG3 ARG 37 1HG ARG 37 7.023 4.166 -2.955 277 HD2 ARG 37 2HD ARG 37 7.871 2.540 -4.648 278 HD3 ARG 37 1HD ARG 37 7.327 1.230 -3.600 279 HE ARG 37 HE ARG 37 5.382 3.197 -4.544 280 HH11 ARG 37 1HH1 ARG 37 6.640 -0.119 -4.750 281 HH12 ARG 37 2HH1 ARG 37 5.215 -0.744 -5.452 282 HH21 ARG 37 1HH2 ARG 37 3.416 2.284 -5.505 283 HH22 ARG 37 2HH2 ARG 37 3.370 0.636 -5.866 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 -9.977 -0.714 6.405 2 H2 GLY 1 2HT GLY 1 -9.771 -1.939 5.252 3 H3 GLY 1 3HT GLY 1 -9.192 -0.399 4.936 4 HA2 GLY 1 1HA GLY 1 -7.589 -0.628 6.716 5 HA3 GLY 1 2HA GLY 1 -8.237 -2.237 7.031 6 H ILE 2 H ILE 2 -5.540 -1.439 6.222 7 HA ILE 2 HA ILE 2 -5.204 -2.115 3.516 8 HB ILE 2 HB ILE 2 -2.774 -2.465 4.233 9 HG12 ILE 2 2HG1 ILE 2 -3.883 -1.246 6.779 10 HG13 ILE 2 1HG1 ILE 2 -3.127 -2.824 6.616 11 HG21 ILE 2 1HG2 ILE 2 -2.393 -0.035 4.322 12 HG22 ILE 2 2HG2 ILE 2 -4.134 0.199 4.498 13 HG23 ILE 2 3HG2 ILE 2 -3.487 -0.541 3.040 14 HD11 ILE 2 1HD1 ILE 2 -1.640 -1.181 7.648 15 HD12 ILE 2 2HD1 ILE 2 -1.762 -0.178 6.194 16 HD13 ILE 2 3HD1 ILE 2 -1.004 -1.763 6.110 17 H THR 3 H THR 3 -5.230 -3.920 2.587 18 HA THR 3 HA THR 3 -4.510 -6.383 3.950 19 HB THR 3 HB THR 3 -7.069 -5.995 2.346 20 HG1 THR 3 1HG THR 3 -6.504 -5.681 5.000 21 HG21 THR 3 1HG2 THR 3 -6.149 -8.260 2.182 22 HG22 THR 3 2HG2 THR 3 -7.623 -8.268 3.154 23 HG23 THR 3 3HG2 THR 3 -6.045 -8.357 3.938 24 H CYS 4 H CYS 4 -3.577 -7.806 2.405 25 HA CYS 4 HA CYS 4 -3.508 -6.749 -0.317 26 HB2 CYS 4 2HB CYS 4 -1.316 -8.203 1.145 27 HB3 CYS 4 1HB CYS 4 -1.281 -7.720 -0.551 28 H ASP 5 H ASP 5 -4.668 -7.961 -1.526 29 HA ASP 5 HA ASP 5 -4.479 -10.876 -1.161 30 HB2 ASP 5 2HB ASP 5 -6.800 -9.885 -1.097 31 HB3 ASP 5 1HB ASP 5 -6.525 -9.331 -2.752 32 H LEU 6 H LEU 6 -4.069 -8.121 -3.173 33 HA LEU 6 HA LEU 6 -2.751 -9.744 -5.184 34 HB2 LEU 6 2HB LEU 6 -3.899 -6.953 -5.263 35 HB3 LEU 6 1HB LEU 6 -3.023 -7.704 -6.587 36 HG LEU 6 HG LEU 6 -5.687 -8.603 -5.480 37 HD11 LEU 6 1HD1 LEU 6 -5.000 -7.197 -8.054 38 HD12 LEU 6 2HD1 LEU 6 -5.849 -6.496 -6.677 39 HD13 LEU 6 3HD1 LEU 6 -6.595 -7.799 -7.600 40 HD21 LEU 6 1HD2 LEU 6 -4.112 -9.596 -7.860 41 HD22 LEU 6 2HD2 LEU 6 -5.749 -10.089 -7.439 42 HD23 LEU 6 3HD2 LEU 6 -4.410 -10.486 -6.364 43 H ILE 7 H ILE 7 -0.855 -8.512 -6.007 44 HA ILE 7 HA ILE 7 0.460 -6.938 -3.921 45 HB ILE 7 HB ILE 7 1.766 -9.039 -5.687 46 HG12 ILE 7 2HG1 ILE 7 1.142 -9.026 -2.730 47 HG13 ILE 7 1HG1 ILE 7 0.417 -10.050 -3.944 48 HG21 ILE 7 1HG2 ILE 7 2.929 -7.280 -3.525 49 HG22 ILE 7 2HG2 ILE 7 3.276 -7.196 -5.255 50 HG23 ILE 7 3HG2 ILE 7 3.776 -8.604 -4.319 51 HD11 ILE 7 1HD1 ILE 7 3.300 -10.128 -3.110 52 HD12 ILE 7 2HD1 ILE 7 2.550 -11.164 -4.326 53 HD13 ILE 7 3HD1 ILE 7 2.052 -11.279 -2.634 54 H GLY 8 H GLY 8 0.922 -5.008 -4.658 55 HA2 GLY 8 2HA GLY 8 1.739 -3.351 -6.091 56 HA3 GLY 8 1HA GLY 8 1.946 -4.581 -7.333 57 H ASN 9 H ASN 9 -0.629 -5.560 -7.316 58 HA ASN 9 HA ASN 9 -2.076 -3.500 -8.808 59 HB2 ASN 9 2HB ASN 9 -2.710 -6.432 -8.349 60 HB3 ASN 9 1HB ASN 9 -3.616 -5.362 -9.408 61 HD21 ASN 9 1HD2 ASN 9 -0.733 -7.280 -9.038 62 HD22 ASN 9 2HD2 ASN 9 -0.184 -7.083 -10.653 63 H GLU 10 H GLU 10 -1.691 -4.316 -5.821 64 HA GLU 10 HA GLU 10 -4.384 -4.375 -4.817 65 HB2 GLU 10 2HB GLU 10 -2.490 -5.715 -3.890 66 HB3 GLU 10 1HB GLU 10 -1.727 -4.217 -3.397 67 HG2 GLU 10 2HG GLU 10 -2.813 -5.348 -1.598 68 HG3 GLU 10 1HG GLU 10 -3.499 -3.749 -1.903 69 H ARG 11 H ARG 11 -4.662 -2.308 -5.987 70 HA ARG 11 HA ARG 11 -3.307 0.054 -5.219 71 HB2 ARG 11 2HB ARG 11 -4.559 -0.356 -7.385 72 HB3 ARG 11 1HB ARG 11 -6.035 -0.095 -6.478 73 HG2 ARG 11 2HG ARG 11 -5.390 1.899 -7.724 74 HG3 ARG 11 1HG ARG 11 -5.361 2.188 -5.983 75 HD2 ARG 11 2HD ARG 11 -3.410 3.146 -7.245 76 HD3 ARG 11 1HD ARG 11 -2.975 2.069 -5.925 77 HE ARG 11 HE ARG 11 -3.143 0.549 -8.252 78 HH11 ARG 11 1HH1 ARG 11 -1.068 3.231 -7.118 79 HH12 ARG 11 2HH1 ARG 11 0.312 2.618 -7.860 80 HH21 ARG 11 1HH2 ARG 11 -1.248 -0.233 -9.268 81 HH22 ARG 11 2HH2 ARG 11 0.221 0.609 -9.148 82 H LEU 12 H LEU 12 -5.975 -1.656 -3.895 83 HA LEU 12 HA LEU 12 -7.135 0.393 -2.336 84 HB2 LEU 12 2HB LEU 12 -7.024 -2.584 -1.878 85 HB3 LEU 12 1HB LEU 12 -8.024 -1.481 -0.956 86 HG LEU 12 HG LEU 12 -8.287 -2.038 -3.911 87 HD11 LEU 12 1HD1 LEU 12 -10.003 -2.873 -1.579 88 HD12 LEU 12 2HD1 LEU 12 -8.973 -3.931 -2.543 89 HD13 LEU 12 3HD1 LEU 12 -10.372 -3.149 -3.280 90 HD21 LEU 12 1HD2 LEU 12 -8.954 0.244 -3.370 91 HD22 LEU 12 2HD2 LEU 12 -9.971 -0.350 -2.059 92 HD23 LEU 12 3HD2 LEU 12 -10.370 -0.743 -3.730 93 H CYS 13 H CYS 13 -4.241 -1.471 -1.965 94 HA CYS 13 HA CYS 13 -3.910 -0.642 0.778 95 HB2 CYS 13 2HB CYS 13 -3.070 -2.810 0.310 96 HB3 CYS 13 1HB CYS 13 -2.207 -2.257 -1.135 97 H VAL 14 H VAL 14 -2.504 -0.025 -2.388 98 HA VAL 14 HA VAL 14 -0.470 1.758 -1.687 99 HB VAL 14 HB VAL 14 -2.094 1.886 -4.220 100 HG11 VAL 14 1HG1 VAL 14 0.766 2.660 -3.670 101 HG12 VAL 14 2HG1 VAL 14 -0.581 3.755 -3.976 102 HG13 VAL 14 3HG1 VAL 14 -0.006 2.684 -5.257 103 HG21 VAL 14 1HG2 VAL 14 -0.485 0.296 -5.202 104 HG22 VAL 14 2HG2 VAL 14 -1.411 -0.417 -3.884 105 HG23 VAL 14 3HG2 VAL 14 0.258 0.091 -3.615 106 H VAL 15 H VAL 15 -3.898 2.355 -2.262 107 HA VAL 15 HA VAL 15 -3.758 5.152 -2.382 108 HB VAL 15 HB VAL 15 -5.691 3.810 -3.158 109 HG11 VAL 15 1HG1 VAL 15 -7.429 3.125 -1.605 110 HG12 VAL 15 2HG1 VAL 15 -6.379 3.570 -0.259 111 HG13 VAL 15 3HG1 VAL 15 -5.912 2.260 -1.344 112 HG21 VAL 15 1HG2 VAL 15 -5.942 6.188 -2.904 113 HG22 VAL 15 2HG2 VAL 15 -6.365 5.991 -1.204 114 HG23 VAL 15 3HG2 VAL 15 -7.447 5.380 -2.459 115 H HIS 16 H HIS 16 -3.673 3.001 0.316 116 HA HIS 16 HA HIS 16 -4.375 4.906 2.324 117 HB2 HIS 16 2HB HIS 16 -4.544 2.549 2.851 118 HB3 HIS 16 1HB HIS 16 -2.872 2.281 2.401 119 HD1 HIS 16 1HD HIS 16 -4.825 4.158 5.111 120 HD2 HIS 16 2HD HIS 16 -1.173 2.305 4.430 121 HE1 HIS 16 1HE HIS 16 -3.619 4.138 7.325 122 H CYS 17 H CYS 17 -1.445 3.839 0.825 123 HA CYS 17 HA CYS 17 0.406 5.371 2.328 124 HB2 CYS 17 2HB CYS 17 0.603 4.442 -0.528 125 HB3 CYS 17 1HB CYS 17 1.929 4.752 0.593 126 H LEU 18 H LEU 18 -1.421 5.920 -0.633 127 HA LEU 18 HA LEU 18 -0.344 8.491 -1.187 128 HB2 LEU 18 2HB LEU 18 -3.029 7.355 -1.970 129 HB3 LEU 18 1HB LEU 18 -2.282 8.772 -2.672 130 HG LEU 18 HG LEU 18 -1.262 5.940 -2.899 131 HD11 LEU 18 1HD1 LEU 18 -3.279 6.337 -4.197 132 HD12 LEU 18 2HD1 LEU 18 -1.878 6.147 -5.247 133 HD13 LEU 18 3HD1 LEU 18 -2.535 7.755 -4.937 134 HD21 LEU 18 1HD2 LEU 18 0.359 6.874 -4.495 135 HD22 LEU 18 2HD2 LEU 18 0.583 7.538 -2.880 136 HD23 LEU 18 3HD2 LEU 18 -0.217 8.500 -4.124 137 H ALA 19 H ALA 19 -2.997 7.357 0.785 138 HA ALA 19 HA ALA 19 -4.163 9.849 1.369 139 HB1 ALA 19 1HB ALA 19 -4.140 7.347 3.054 140 HB2 ALA 19 2HB ALA 19 -5.297 7.709 1.773 141 HB3 ALA 19 3HB ALA 19 -5.245 8.710 3.225 142 H LYS 20 H LYS 20 -1.725 7.942 3.098 143 HA LYS 20 HA LYS 20 -1.356 9.855 5.159 144 HB2 LYS 20 2HB LYS 20 0.428 7.653 4.163 145 HB3 LYS 20 1HB LYS 20 0.891 8.703 5.493 146 HG2 LYS 20 2HG LYS 20 -1.113 7.938 6.725 147 HG3 LYS 20 1HG LYS 20 -1.461 6.825 5.396 148 HD2 LYS 20 2HD LYS 20 0.565 5.639 5.759 149 HD3 LYS 20 1HD LYS 20 1.140 6.838 6.930 150 HE2 LYS 20 2HE LYS 20 -0.745 6.205 8.390 151 HE3 LYS 20 1HE LYS 20 -1.209 4.978 7.212 152 HZ1 LYS 20 1HZ LYS 20 1.010 3.956 7.544 153 HZ2 LYS 20 2HZ LYS 20 0.068 3.967 8.920 154 HZ3 LYS 20 3HZ LYS 20 1.321 5.067 8.774 155 H GLY 21 H GLY 21 0.184 9.441 2.061 156 HA2 GLY 21 2HA GLY 21 0.908 11.568 1.002 157 HA3 GLY 21 1HA GLY 21 1.627 11.978 2.558 158 H PHE 22 H PHE 22 1.643 8.928 0.857 159 HA PHE 22 HA PHE 22 4.555 9.002 0.825 160 HB2 PHE 22 2HB PHE 22 2.553 6.798 0.980 161 HB3 PHE 22 1HB PHE 22 4.133 6.393 0.338 162 HD1 PHE 22 1HD PHE 22 6.099 6.783 1.662 163 HD2 PHE 22 2HD PHE 22 2.199 7.150 3.256 164 HE1 PHE 22 1HE PHE 22 7.022 6.614 3.795 165 HE2 PHE 22 2HE PHE 22 3.113 6.970 5.530 166 HZ PHE 22 HZ PHE 22 5.545 6.707 5.846 167 H ARG 23 H ARG 23 5.562 8.001 -0.993 168 HA ARG 23 HA ARG 23 4.335 8.944 -3.428 169 HB2 ARG 23 2HB ARG 23 7.025 7.609 -3.025 170 HB3 ARG 23 1HB ARG 23 6.447 8.332 -4.511 171 HG2 ARG 23 2HG ARG 23 7.078 9.761 -1.945 172 HG3 ARG 23 1HG ARG 23 7.981 9.830 -3.460 173 HD2 ARG 23 2HD ARG 23 5.895 10.753 -4.529 174 HD3 ARG 23 1HD ARG 23 5.219 10.873 -2.908 175 HE ARG 23 HE ARG 23 7.777 12.130 -3.297 176 HH11 ARG 23 1HH1 ARG 23 4.262 12.588 -3.048 177 HH12 ARG 23 2HH1 ARG 23 4.360 14.281 -2.968 178 HH21 ARG 23 1HH2 ARG 23 7.894 14.448 -3.267 179 HH22 ARG 23 2HH2 ARG 23 6.462 15.366 -3.099 180 H GLY 24 H GLY 24 4.496 6.144 -1.573 181 HA2 GLY 24 2HA GLY 24 2.647 4.826 -3.064 182 HA3 GLY 24 1HA GLY 24 4.198 4.351 -3.735 183 H GLY 25 H GLY 25 2.584 2.563 -2.785 184 HA2 GLY 25 2HA GLY 25 3.924 1.566 -0.453 185 HA3 GLY 25 1HA GLY 25 2.167 1.736 -0.420 186 H TRP 26 H TRP 26 3.567 -0.693 -0.293 187 HA TRP 26 HA TRP 26 2.407 -2.013 -2.561 188 HB2 TRP 26 2HB TRP 26 4.436 -3.007 -3.376 189 HB3 TRP 26 1HB TRP 26 4.705 -1.272 -3.331 190 HD1 TRP 26 HD TRP 26 6.287 -4.445 -2.365 191 HE1 TRP 26 1HE TRP 26 8.256 -4.054 -0.761 192 HE3 TRP 26 3HE TRP 26 5.417 0.410 -1.101 193 HZ2 TRP 26 2HZ TRP 26 9.269 -2.049 0.841 194 HZ3 TRP 26 3HZ TRP 26 6.901 1.503 0.489 195 HH2 TRP 26 HH TRP 26 8.847 0.248 1.455 196 H CYS 27 H CYS 27 2.309 -4.233 -2.190 197 HA CYS 27 HA CYS 27 2.482 -4.996 0.584 198 HB2 CYS 27 2HB CYS 27 1.557 -6.511 -1.853 199 HB3 CYS 27 1HB CYS 27 1.317 -6.981 -0.171 200 H ASP 28 H ASP 28 4.214 -6.064 1.319 201 HA ASP 28 HA ASP 28 6.122 -6.969 -0.659 202 HB2 ASP 28 2HB ASP 28 7.720 -7.325 1.130 203 HB3 ASP 28 1HB ASP 28 6.910 -5.810 1.449 204 H SER 29 H SER 29 7.184 -9.273 0.152 205 HA SER 29 HA SER 29 5.300 -11.098 -0.773 206 HB2 SER 29 2HB SER 29 7.934 -11.619 0.591 207 HB3 SER 29 1HB SER 29 7.032 -12.774 -0.397 208 HG SER 29 HG SER 29 7.123 -10.837 -1.954 209 H ARG 30 H ARG 30 5.688 -10.000 2.455 210 HA ARG 30 HA ARG 30 4.497 -12.391 3.650 211 HB2 ARG 30 2HB ARG 30 5.158 -9.702 4.842 212 HB3 ARG 30 1HB ARG 30 4.682 -11.136 5.735 213 HG2 ARG 30 2HG ARG 30 6.734 -12.215 5.265 214 HG3 ARG 30 1HG ARG 30 7.146 -11.016 4.031 215 HD2 ARG 30 2HD ARG 30 6.867 -10.496 6.985 216 HD3 ARG 30 1HD ARG 30 8.386 -10.575 6.081 217 HE ARG 30 HE ARG 30 6.876 -8.728 4.766 218 HH11 ARG 30 1HH1 ARG 30 8.203 -8.992 8.026 219 HH12 ARG 30 2HH1 ARG 30 8.166 -7.324 8.344 220 HH21 ARG 30 1HH2 ARG 30 6.810 -6.504 5.147 221 HH22 ARG 30 2HH2 ARG 30 7.385 -5.809 6.613 222 H LYS 31 H LYS 31 3.324 -10.021 1.778 223 HA LYS 31 HA LYS 31 1.301 -9.160 1.305 224 HB2 LYS 31 2HB LYS 31 0.339 -11.007 3.496 225 HB3 LYS 31 1HB LYS 31 -0.746 -10.000 2.553 226 HG2 LYS 31 2HG LYS 31 1.068 -12.119 1.412 227 HG3 LYS 31 1HG LYS 31 -0.641 -12.338 1.792 228 HD2 LYS 31 2HD LYS 31 -1.212 -10.552 0.199 229 HD3 LYS 31 1HD LYS 31 0.496 -10.377 -0.204 230 HE2 LYS 31 2HE LYS 31 -0.701 -11.723 -1.853 231 HE3 LYS 31 1HE LYS 31 0.554 -12.654 -1.050 232 HZ1 LYS 31 1HZ LYS 31 -2.364 -12.785 -0.434 233 HZ2 LYS 31 2HZ LYS 31 -1.177 -13.684 0.342 234 HZ3 LYS 31 3HZ LYS 31 -1.482 -13.919 -1.280 235 H VAL 32 H VAL 32 3.105 -8.160 3.443 236 HA VAL 32 HA VAL 32 1.313 -6.594 5.113 237 HB VAL 32 HB VAL 32 4.352 -6.647 4.942 238 HG11 VAL 32 1HG1 VAL 32 2.582 -5.297 6.982 239 HG12 VAL 32 2HG1 VAL 32 3.555 -4.485 5.759 240 HG13 VAL 32 3HG1 VAL 32 4.341 -5.397 7.049 241 HG21 VAL 32 1HG2 VAL 32 3.423 -8.736 5.793 242 HG22 VAL 32 2HG2 VAL 32 2.498 -7.845 7.001 243 HG23 VAL 32 3HG2 VAL 32 4.259 -7.853 7.070 244 H CYS 33 H CYS 33 0.746 -4.622 4.743 245 HA CYS 33 HA CYS 33 1.432 -3.323 2.293 246 HB2 CYS 33 2HB CYS 33 -0.404 -2.754 4.571 247 HB3 CYS 33 1HB CYS 33 0.053 -1.444 3.487 248 H ASN 34 H ASN 34 3.216 -2.204 2.052 249 HA ASN 34 HA ASN 34 4.256 -0.780 4.400 250 HB2 ASN 34 2HB ASN 34 5.802 -1.730 1.976 251 HB3 ASN 34 1HB ASN 34 6.466 -0.907 3.376 252 HD21 ASN 34 1HD2 ASN 34 5.292 -3.835 2.092 253 HD22 ASN 34 2HD2 ASN 34 5.781 -4.890 3.361 254 H CYS 35 H CYS 35 4.158 1.355 4.167 255 HA CYS 35 HA CYS 35 4.090 2.479 1.433 256 HB2 CYS 35 2HB CYS 35 3.253 3.825 4.015 257 HB3 CYS 35 1HB CYS 35 2.996 4.404 2.378 258 H ARG 36 H ARG 36 5.870 3.561 0.857 259 HA ARG 36 HA ARG 36 7.662 4.821 2.653 260 HB2 ARG 36 2HB ARG 36 7.750 2.481 3.510 261 HB3 ARG 36 1HB ARG 36 8.396 2.006 1.954 262 HG2 ARG 36 2HG ARG 36 10.318 3.508 2.383 263 HG3 ARG 36 1HG ARG 36 9.687 3.752 4.020 264 HD2 ARG 36 2HD ARG 36 10.534 1.146 2.763 265 HD3 ARG 36 1HD ARG 36 11.335 1.982 4.093 266 HE ARG 36 HE ARG 36 9.099 1.591 5.270 267 HH11 ARG 36 1HH1 ARG 36 10.628 -0.733 3.062 268 HH12 ARG 36 2HH1 ARG 36 9.863 -2.099 3.741 269 HH21 ARG 36 1HH2 ARG 36 8.038 -0.339 6.190 270 HH22 ARG 36 2HH2 ARG 36 8.360 -1.869 5.522 271 H ARG 37 H ARG 37 7.091 3.045 -0.347 272 HA ARG 37 HA ARG 37 9.383 4.393 -1.499 273 HB2 ARG 37 2HB ARG 37 8.326 1.628 -2.157 274 HB3 ARG 37 1HB ARG 37 9.595 2.451 -3.056 275 HG2 ARG 37 2HG ARG 37 10.866 2.535 -0.871 276 HG3 ARG 37 1HG ARG 37 9.598 1.473 -0.248 277 HD2 ARG 37 2HD ARG 37 11.524 0.148 -0.996 278 HD3 ARG 37 1HD ARG 37 10.108 -0.174 -1.998 279 HE ARG 37 HE ARG 37 11.789 1.897 -3.006 280 HH11 ARG 37 1HH1 ARG 37 11.358 -1.650 -2.973 281 HH12 ARG 37 2HH1 ARG 37 12.143 -1.880 -4.469 282 HH21 ARG 37 1HH2 ARG 37 12.908 1.513 -5.041 283 HH22 ARG 37 2HH2 ARG 37 13.048 -0.079 -5.637 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 -10.533 -0.234 5.135 2 H2 GLY 1 2HT GLY 1 -10.265 -1.545 4.078 3 H3 GLY 1 3HT GLY 1 -9.648 -0.027 3.711 4 HA2 GLY 1 1HA GLY 1 -8.192 -0.112 5.609 5 HA3 GLY 1 2HA GLY 1 -8.856 -1.692 6.002 6 H ILE 2 H ILE 2 -6.103 -1.388 5.563 7 HA ILE 2 HA ILE 2 -5.431 -1.877 2.913 8 HB ILE 2 HB ILE 2 -3.250 -2.647 3.877 9 HG12 ILE 2 2HG1 ILE 2 -4.558 -1.842 6.495 10 HG13 ILE 2 1HG1 ILE 2 -4.072 -3.469 6.043 11 HG21 ILE 2 1HG2 ILE 2 -4.288 0.026 4.773 12 HG22 ILE 2 2HG2 ILE 2 -3.673 -0.358 3.170 13 HG23 ILE 2 3HG2 ILE 2 -2.594 -0.409 4.565 14 HD11 ILE 2 1HD1 ILE 2 -2.493 -2.415 7.576 15 HD12 ILE 2 2HD1 ILE 2 -2.223 -1.131 6.383 16 HD13 ILE 2 3HD1 ILE 2 -1.759 -2.791 6.016 17 H THR 3 H THR 3 -5.530 -3.560 1.783 18 HA THR 3 HA THR 3 -5.961 -6.183 2.996 19 HB THR 3 HB THR 3 -7.017 -4.940 0.474 20 HG1 THR 3 1HG THR 3 -7.971 -4.269 2.551 21 HG21 THR 3 1HG2 THR 3 -7.605 -7.656 1.686 22 HG22 THR 3 2HG2 THR 3 -6.710 -7.351 0.199 23 HG23 THR 3 3HG2 THR 3 -8.432 -6.982 0.283 24 H CYS 4 H CYS 4 -4.621 -7.756 1.951 25 HA CYS 4 HA CYS 4 -3.170 -6.730 -0.337 26 HB2 CYS 4 2HB CYS 4 -1.931 -8.496 1.771 27 HB3 CYS 4 1HB CYS 4 -1.203 -7.884 0.272 28 H ASP 5 H ASP 5 -4.681 -7.664 -1.551 29 HA ASP 5 HA ASP 5 -4.763 -10.585 -1.543 30 HB2 ASP 5 2HB ASP 5 -6.888 -9.257 -1.793 31 HB3 ASP 5 1HB ASP 5 -6.229 -8.595 -3.286 32 H LEU 6 H LEU 6 -3.676 -7.726 -3.169 33 HA LEU 6 HA LEU 6 -2.171 -9.359 -5.024 34 HB2 LEU 6 2HB LEU 6 -2.929 -6.449 -5.086 35 HB3 LEU 6 1HB LEU 6 -1.942 -7.262 -6.289 36 HG LEU 6 HG LEU 6 -4.834 -7.856 -5.686 37 HD11 LEU 6 1HD1 LEU 6 -5.255 -6.877 -7.878 38 HD12 LEU 6 2HD1 LEU 6 -3.547 -6.455 -8.015 39 HD13 LEU 6 3HD1 LEU 6 -4.542 -5.708 -6.769 40 HD21 LEU 6 1HD2 LEU 6 -4.700 -9.222 -7.743 41 HD22 LEU 6 2HD2 LEU 6 -3.721 -9.847 -6.422 42 HD23 LEU 6 3HD2 LEU 6 -2.951 -8.982 -7.754 43 H ILE 7 H ILE 7 -0.120 -8.998 -5.148 44 HA ILE 7 HA ILE 7 1.311 -7.569 -3.031 45 HB ILE 7 HB ILE 7 2.246 -9.704 -4.997 46 HG12 ILE 7 2HG1 ILE 7 1.770 -9.904 -2.011 47 HG13 ILE 7 1HG1 ILE 7 0.720 -10.563 -3.257 48 HG21 ILE 7 1HG2 ILE 7 3.767 -8.450 -2.711 49 HG22 ILE 7 2HG2 ILE 7 4.072 -8.192 -4.426 50 HG23 ILE 7 3HG2 ILE 7 4.334 -9.786 -3.716 51 HD11 ILE 7 1HD1 ILE 7 3.562 -11.399 -2.718 52 HD12 ILE 7 2HD1 ILE 7 2.503 -12.076 -3.956 53 HD13 ILE 7 3HD1 ILE 7 2.110 -12.286 -2.249 54 H GLY 8 H GLY 8 2.376 -5.752 -3.624 55 HA2 GLY 8 2HA GLY 8 3.440 -4.165 -4.994 56 HA3 GLY 8 1HA GLY 8 3.316 -5.307 -6.309 57 H ASN 9 H ASN 9 0.597 -5.636 -6.451 58 HA ASN 9 HA ASN 9 -0.132 -3.169 -7.907 59 HB2 ASN 9 2HB ASN 9 -1.097 -6.011 -8.017 60 HB3 ASN 9 1HB ASN 9 -1.904 -4.715 -8.872 61 HD21 ASN 9 1HD2 ASN 9 0.978 -6.691 -8.739 62 HD22 ASN 9 2HD2 ASN 9 1.567 -6.233 -10.287 63 H GLU 10 H GLU 10 -0.421 -3.672 -5.030 64 HA GLU 10 HA GLU 10 -3.238 -4.045 -4.824 65 HB2 GLU 10 2HB GLU 10 -1.902 -5.432 -3.474 66 HB3 GLU 10 1HB GLU 10 -1.131 -4.089 -2.676 67 HG2 GLU 10 2HG GLU 10 -2.822 -4.936 -1.296 68 HG3 GLU 10 1HG GLU 10 -3.328 -3.361 -1.968 69 H ARG 11 H ARG 11 -3.736 -2.243 -5.678 70 HA ARG 11 HA ARG 11 -3.196 0.378 -4.924 71 HB2 ARG 11 2HB ARG 11 -4.414 -0.252 -6.947 72 HB3 ARG 11 1HB ARG 11 -5.793 -0.702 -5.968 73 HG2 ARG 11 2HG ARG 11 -6.237 1.539 -5.365 74 HG3 ARG 11 1HG ARG 11 -4.686 2.091 -6.008 75 HD2 ARG 11 2HD ARG 11 -6.896 0.861 -7.634 76 HD3 ARG 11 1HD ARG 11 -6.580 2.595 -7.515 77 HE ARG 11 HE ARG 11 -4.211 1.658 -8.270 78 HH11 ARG 11 1HH1 ARG 11 -7.406 0.988 -9.595 79 HH12 ARG 11 2HH1 ARG 11 -6.886 0.816 -11.196 80 HH21 ARG 11 1HH2 ARG 11 -3.450 1.412 -10.495 81 HH22 ARG 11 2HH2 ARG 11 -4.573 1.067 -11.715 82 H LEU 12 H LEU 12 -5.298 -1.914 -3.359 83 HA LEU 12 HA LEU 12 -6.726 -0.109 -1.696 84 HB2 LEU 12 2HB LEU 12 -5.977 -2.990 -1.194 85 HB3 LEU 12 1HB LEU 12 -7.143 -2.081 -0.256 86 HG LEU 12 HG LEU 12 -7.419 -2.793 -3.177 87 HD11 LEU 12 1HD1 LEU 12 -9.200 -4.268 -2.399 88 HD12 LEU 12 2HD1 LEU 12 -8.779 -3.890 -0.727 89 HD13 LEU 12 3HD1 LEU 12 -7.625 -4.736 -1.763 90 HD21 LEU 12 1HD2 LEU 12 -8.534 -0.691 -2.658 91 HD22 LEU 12 2HD2 LEU 12 -9.336 -1.440 -1.279 92 HD23 LEU 12 3HD2 LEU 12 -9.717 -1.973 -2.917 93 H CYS 13 H CYS 13 -3.557 -1.405 -1.573 94 HA CYS 13 HA CYS 13 -3.049 -0.510 1.128 95 HB2 CYS 13 2HB CYS 13 -1.991 -2.546 0.444 96 HB3 CYS 13 1HB CYS 13 -1.382 -1.815 -1.025 97 H VAL 14 H VAL 14 -2.174 0.265 -2.194 98 HA VAL 14 HA VAL 14 -0.392 2.344 -1.888 99 HB VAL 14 HB VAL 14 -2.560 2.223 -3.984 100 HG11 VAL 14 1HG1 VAL 14 -1.000 3.475 -5.382 101 HG12 VAL 14 2HG1 VAL 14 0.148 3.535 -4.042 102 HG13 VAL 14 3HG1 VAL 14 -1.403 4.357 -3.907 103 HG21 VAL 14 1HG2 VAL 14 -0.911 1.011 -5.350 104 HG22 VAL 14 2HG2 VAL 14 -1.367 0.116 -3.895 105 HG23 VAL 14 3HG2 VAL 14 0.174 0.961 -3.959 106 H VAL 15 H VAL 15 -3.928 2.549 -1.973 107 HA VAL 15 HA VAL 15 -4.036 5.350 -1.855 108 HB VAL 15 HB VAL 15 -5.858 3.916 -2.666 109 HG11 VAL 15 1HG1 VAL 15 -6.343 3.269 0.206 110 HG12 VAL 15 2HG1 VAL 15 -5.841 2.156 -1.069 111 HG13 VAL 15 3HG1 VAL 15 -7.447 2.893 -1.117 112 HG21 VAL 15 1HG2 VAL 15 -6.343 6.229 -2.134 113 HG22 VAL 15 2HG2 VAL 15 -6.683 5.782 -0.460 114 HG23 VAL 15 3HG2 VAL 15 -7.733 5.210 -1.755 115 H HIS 16 H HIS 16 -3.593 3.005 0.636 116 HA HIS 16 HA HIS 16 -4.294 4.729 2.834 117 HB2 HIS 16 2HB HIS 16 -4.385 2.322 3.210 118 HB3 HIS 16 1HB HIS 16 -2.730 2.125 2.679 119 HD1 HIS 16 1HD HIS 16 -4.634 3.722 5.601 120 HD2 HIS 16 2HD HIS 16 -0.941 2.069 4.637 121 HE1 HIS 16 1HE HIS 16 -3.318 3.638 7.745 122 H CYS 17 H CYS 17 -1.415 3.761 1.151 123 HA CYS 17 HA CYS 17 0.465 5.270 2.652 124 HB2 CYS 17 2HB CYS 17 0.558 4.330 -0.203 125 HB3 CYS 17 1HB CYS 17 1.931 4.795 0.805 126 H LEU 18 H LEU 18 -1.534 6.002 -0.156 127 HA LEU 18 HA LEU 18 -0.379 8.559 -0.608 128 HB2 LEU 18 2HB LEU 18 -3.150 7.562 -1.300 129 HB3 LEU 18 1HB LEU 18 -2.397 9.003 -1.951 130 HG LEU 18 HG LEU 18 -1.466 6.168 -2.420 131 HD11 LEU 18 1HD1 LEU 18 -2.836 8.102 -4.270 132 HD12 LEU 18 2HD1 LEU 18 -3.558 6.661 -3.561 133 HD13 LEU 18 3HD1 LEU 18 -2.225 6.509 -4.707 134 HD21 LEU 18 1HD2 LEU 18 0.403 7.726 -2.445 135 HD22 LEU 18 2HD2 LEU 18 -0.470 8.775 -3.561 136 HD23 LEU 18 3HD2 LEU 18 0.041 7.170 -4.078 137 H ALA 19 H ALA 19 -2.987 7.361 1.426 138 HA ALA 19 HA ALA 19 -3.925 9.870 2.310 139 HB1 ALA 19 1HB ALA 19 -3.992 7.233 3.783 140 HB2 ALA 19 2HB ALA 19 -5.180 7.757 2.597 141 HB3 ALA 19 3HB ALA 19 -5.007 8.637 4.116 142 H LYS 20 H LYS 20 -1.391 7.746 3.470 143 HA LYS 20 HA LYS 20 -0.777 9.333 5.746 144 HB2 LYS 20 2HB LYS 20 0.728 7.152 4.341 145 HB3 LYS 20 1HB LYS 20 1.434 8.027 5.694 146 HG2 LYS 20 2HG LYS 20 -0.469 7.329 7.097 147 HG3 LYS 20 1HG LYS 20 -1.105 6.411 5.735 148 HD2 LYS 20 2HD LYS 20 0.709 4.910 5.756 149 HD3 LYS 20 1HD LYS 20 1.663 5.940 6.839 150 HE2 LYS 20 2HE LYS 20 0.060 5.518 8.621 151 HE3 LYS 20 1HE LYS 20 -0.918 4.542 7.530 152 HZ1 LYS 20 1HZ LYS 20 0.469 3.189 8.972 153 HZ2 LYS 20 2HZ LYS 20 1.864 3.910 8.361 154 HZ3 LYS 20 3HZ LYS 20 0.888 2.968 7.363 155 H GLY 21 H GLY 21 0.453 9.274 2.486 156 HA2 GLY 21 2HA GLY 21 1.175 11.493 1.629 157 HA3 GLY 21 1HA GLY 21 2.051 11.678 3.146 158 H PHE 22 H PHE 22 1.717 9.101 0.792 159 HA PHE 22 HA PHE 22 4.623 8.917 0.655 160 HB2 PHE 22 2HB PHE 22 2.554 6.879 1.112 161 HB3 PHE 22 1HB PHE 22 3.907 6.329 0.160 162 HD1 PHE 22 1HD PHE 22 6.149 6.680 1.042 163 HD2 PHE 22 2HD PHE 22 2.670 7.070 3.403 164 HE1 PHE 22 1HE PHE 22 7.481 6.349 2.938 165 HE2 PHE 22 2HE PHE 22 4.005 6.738 5.438 166 HZ PHE 22 HZ PHE 22 6.440 6.378 5.249 167 H ARG 23 H ARG 23 5.432 7.950 -1.306 168 HA ARG 23 HA ARG 23 4.261 8.948 -3.668 169 HB2 ARG 23 2HB ARG 23 6.238 6.667 -3.408 170 HB3 ARG 23 1HB ARG 23 5.863 7.527 -4.889 171 HG2 ARG 23 2HG ARG 23 6.811 9.565 -3.937 172 HG3 ARG 23 1HG ARG 23 7.183 8.686 -2.455 173 HD2 ARG 23 2HD ARG 23 8.536 7.107 -3.836 174 HD3 ARG 23 1HD ARG 23 8.308 8.204 -5.198 175 HE ARG 23 HE ARG 23 9.237 9.750 -3.151 176 HH11 ARG 23 1HH1 ARG 23 10.461 7.015 -5.023 177 HH12 ARG 23 2HH1 ARG 23 12.093 7.298 -4.660 178 HH21 ARG 23 1HH2 ARG 23 11.463 10.193 -2.692 179 HH22 ARG 23 2HH2 ARG 23 12.691 9.178 -3.310 180 H GLY 24 H GLY 24 3.970 6.013 -1.861 181 HA2 GLY 24 2HA GLY 24 1.548 5.224 -2.736 182 HA3 GLY 24 1HA GLY 24 2.667 4.549 -3.924 183 H GLY 25 H GLY 25 1.732 2.538 -2.968 184 HA2 GLY 25 2HA GLY 25 3.488 1.671 -0.862 185 HA3 GLY 25 1HA GLY 25 1.764 1.616 -0.520 186 H TRP 26 H TRP 26 3.150 -0.648 -0.455 187 HA TRP 26 HA TRP 26 1.938 -2.093 -2.606 188 HB2 TRP 26 2HB TRP 26 3.918 -3.120 -3.476 189 HB3 TRP 26 1HB TRP 26 4.202 -1.386 -3.520 190 HD1 TRP 26 HD TRP 26 5.816 -4.535 -2.593 191 HE1 TRP 26 1HE TRP 26 7.901 -4.137 -1.103 192 HE3 TRP 26 3HE TRP 26 5.037 0.329 -1.330 193 HZ2 TRP 26 2HZ TRP 26 9.037 -2.082 0.369 194 HZ3 TRP 26 3HZ TRP 26 6.648 1.453 0.137 195 HH2 TRP 26 HH TRP 26 8.629 0.259 0.976 196 H CYS 27 H CYS 27 1.245 -3.957 -1.818 197 HA CYS 27 HA CYS 27 2.138 -4.835 0.748 198 HB2 CYS 27 2HB CYS 27 0.327 -6.090 -1.314 199 HB3 CYS 27 1HB CYS 27 0.700 -6.819 0.249 200 H ASP 28 H ASP 28 3.746 -6.143 1.093 201 HA ASP 28 HA ASP 28 5.218 -7.039 -1.279 202 HB2 ASP 28 2HB ASP 28 7.152 -7.253 0.104 203 HB3 ASP 28 1HB ASP 28 6.349 -5.788 0.641 204 H SER 29 H SER 29 6.573 -9.199 -0.389 205 HA SER 29 HA SER 29 4.824 -11.302 -0.851 206 HB2 SER 29 2HB SER 29 7.569 -11.349 0.371 207 HB3 SER 29 1HB SER 29 6.756 -12.676 -0.472 208 HG SER 29 HG SER 29 6.969 -11.677 -2.334 209 H ARG 30 H ARG 30 5.806 -9.791 2.173 210 HA ARG 30 HA ARG 30 4.997 -11.939 3.891 211 HB2 ARG 30 2HB ARG 30 5.418 -9.005 4.424 212 HB3 ARG 30 1HB ARG 30 5.120 -10.210 5.660 213 HG2 ARG 30 2HG ARG 30 7.219 -11.286 5.169 214 HG3 ARG 30 1HG ARG 30 7.491 -10.186 3.811 215 HD2 ARG 30 2HD ARG 30 8.734 -9.489 5.817 216 HD3 ARG 30 1HD ARG 30 7.549 -8.290 5.317 217 HE ARG 30 HE ARG 30 6.662 -10.176 7.323 218 HH11 ARG 30 1HH1 ARG 30 7.906 -6.892 6.743 219 HH12 ARG 30 2HH1 ARG 30 7.543 -6.344 8.307 220 HH21 ARG 30 1HH2 ARG 30 6.115 -9.409 9.376 221 HH22 ARG 30 2HH2 ARG 30 6.474 -7.811 9.864 222 H LYS 31 H LYS 31 3.250 -9.858 1.953 223 HA LYS 31 HA LYS 31 1.117 -9.234 1.748 224 HB2 LYS 31 2HB LYS 31 0.653 -11.225 3.987 225 HB3 LYS 31 1HB LYS 31 -0.656 -10.326 3.239 226 HG2 LYS 31 2HG LYS 31 1.205 -12.211 1.794 227 HG3 LYS 31 1HG LYS 31 -0.425 -12.607 2.334 228 HD2 LYS 31 2HD LYS 31 -1.297 -10.773 0.900 229 HD3 LYS 31 1HD LYS 31 0.339 -10.500 0.306 230 HE2 LYS 31 2HE LYS 31 -0.892 -11.852 -1.276 231 HE3 LYS 31 1HE LYS 31 0.397 -12.802 -0.545 232 HZ1 LYS 31 1HZ LYS 31 -1.601 -14.073 -0.684 233 HZ2 LYS 31 2HZ LYS 31 -2.498 -12.945 0.174 234 HZ3 LYS 31 3HZ LYS 31 -1.248 -13.808 0.929 235 H VAL 32 H VAL 32 3.009 -7.902 3.398 236 HA VAL 32 HA VAL 32 1.302 -6.502 5.298 237 HB VAL 32 HB VAL 32 4.304 -6.360 4.815 238 HG11 VAL 32 1HG1 VAL 32 2.679 -5.030 6.984 239 HG12 VAL 32 2HG1 VAL 32 3.437 -4.213 5.618 240 HG13 VAL 32 3HG1 VAL 32 4.437 -5.004 6.838 241 HG21 VAL 32 1HG2 VAL 32 3.620 -8.450 5.855 242 HG22 VAL 32 2HG2 VAL 32 2.760 -7.555 7.110 243 HG23 VAL 32 3HG2 VAL 32 4.517 -7.447 6.995 244 H CYS 33 H CYS 33 0.659 -4.457 4.875 245 HA CYS 33 HA CYS 33 1.112 -3.318 2.270 246 HB2 CYS 33 2HB CYS 33 -1.125 -2.986 3.536 247 HB3 CYS 33 1HB CYS 33 -0.191 -2.105 4.718 248 H ASN 34 H ASN 34 2.976 -2.271 1.851 249 HA ASN 34 HA ASN 34 4.345 -0.894 4.073 250 HB2 ASN 34 2HB ASN 34 5.590 -1.879 1.495 251 HB3 ASN 34 1HB ASN 34 6.429 -1.212 2.883 252 HD21 ASN 34 1HD2 ASN 34 4.952 -3.909 1.492 253 HD22 ASN 34 2HD2 ASN 34 5.409 -5.108 2.645 254 H CYS 35 H CYS 35 4.975 1.218 3.674 255 HA CYS 35 HA CYS 35 3.971 2.330 1.147 256 HB2 CYS 35 2HB CYS 35 4.072 3.642 3.861 257 HB3 CYS 35 1HB CYS 35 3.514 4.404 2.379 258 H ARG 36 H ARG 36 5.316 3.228 -0.160 259 HA ARG 36 HA ARG 36 7.201 5.098 0.245 260 HB2 ARG 36 2HB ARG 36 8.525 3.487 1.576 261 HB3 ARG 36 1HB ARG 36 8.542 2.388 0.205 262 HG2 ARG 36 2HG ARG 36 9.934 3.840 -1.061 263 HG3 ARG 36 1HG ARG 36 9.737 5.149 0.101 264 HD2 ARG 36 2HD ARG 36 11.934 4.069 0.296 265 HD3 ARG 36 1HD ARG 36 10.984 3.898 1.762 266 HE ARG 36 HE ARG 36 10.510 1.618 1.073 267 HH11 ARG 36 1HH1 ARG 36 13.319 3.211 -0.421 268 HH12 ARG 36 2HH1 ARG 36 14.186 1.777 -0.662 269 HH21 ARG 36 1HH2 ARG 36 11.766 -0.385 0.734 270 HH22 ARG 36 2HH2 ARG 36 13.286 -0.296 -0.011 271 H ARG 37 H ARG 37 6.510 2.144 -1.610 272 HA ARG 37 HA ARG 37 7.625 3.368 -4.010 273 HB2 ARG 37 2HB ARG 37 6.538 0.581 -3.598 274 HB3 ARG 37 1HB ARG 37 7.408 1.164 -5.008 275 HG2 ARG 37 2HG ARG 37 9.405 1.493 -3.608 276 HG3 ARG 37 1HG ARG 37 8.469 0.882 -2.231 277 HD2 ARG 37 2HD ARG 37 8.177 -1.265 -3.336 278 HD3 ARG 37 1HD ARG 37 9.028 -0.666 -4.761 279 HE ARG 37 HE ARG 37 10.875 -0.328 -2.900 280 HH11 ARG 37 1HH1 ARG 37 8.846 -3.153 -3.536 281 HH12 ARG 37 2HH1 ARG 37 9.999 -4.295 -3.032 282 HH21 ARG 37 1HH2 ARG 37 12.464 -1.864 -2.180 283 HH22 ARG 37 2HH2 ARG 37 12.117 -3.531 -2.179 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 -8.858 0.768 3.202 2 H2 GLY 1 2HT GLY 1 -9.980 0.758 4.488 3 H3 GLY 1 3HT GLY 1 -9.800 -0.595 3.479 4 HA2 GLY 1 1HA GLY 1 -7.699 0.456 5.237 5 HA3 GLY 1 2HA GLY 1 -8.701 -0.955 5.572 6 H ILE 2 H ILE 2 -5.914 -1.152 5.405 7 HA ILE 2 HA ILE 2 -5.133 -1.827 2.790 8 HB ILE 2 HB ILE 2 -3.055 -2.605 3.869 9 HG12 ILE 2 2HG1 ILE 2 -4.512 -1.892 6.440 10 HG13 ILE 2 1HG1 ILE 2 -3.920 -3.478 5.977 11 HG21 ILE 2 1HG2 ILE 2 -4.085 0.067 4.796 12 HG22 ILE 2 2HG2 ILE 2 -3.379 -0.287 3.223 13 HG23 ILE 2 3HG2 ILE 2 -2.386 -0.394 4.679 14 HD11 ILE 2 1HD1 ILE 2 -1.632 -2.681 6.128 15 HD12 ILE 2 2HD1 ILE 2 -2.491 -2.388 7.647 16 HD13 ILE 2 3HD1 ILE 2 -2.220 -1.068 6.505 17 H THR 3 H THR 3 -4.988 -3.719 1.829 18 HA THR 3 HA THR 3 -5.712 -6.174 3.202 19 HB THR 3 HB THR 3 -6.949 -5.163 0.638 20 HG1 THR 3 1HG THR 3 -7.546 -4.607 3.188 21 HG21 THR 3 1HG2 THR 3 -8.562 -7.026 0.945 22 HG22 THR 3 2HG2 THR 3 -7.698 -7.520 2.400 23 HG23 THR 3 3HG2 THR 3 -6.905 -7.620 0.828 24 H CYS 4 H CYS 4 -4.963 -8.010 1.724 25 HA CYS 4 HA CYS 4 -3.342 -7.086 -0.509 26 HB2 CYS 4 2HB CYS 4 -2.414 -9.116 1.513 27 HB3 CYS 4 1HB CYS 4 -1.616 -8.671 0.001 28 H ASP 5 H ASP 5 -4.845 -7.829 -1.942 29 HA ASP 5 HA ASP 5 -5.080 -10.766 -2.028 30 HB2 ASP 5 2HB ASP 5 -7.181 -9.366 -2.361 31 HB3 ASP 5 1HB ASP 5 -6.434 -8.735 -3.826 32 H LEU 6 H LEU 6 -3.949 -7.861 -3.576 33 HA LEU 6 HA LEU 6 -2.391 -9.415 -5.447 34 HB2 LEU 6 2HB LEU 6 -3.144 -6.499 -5.335 35 HB3 LEU 6 1HB LEU 6 -2.028 -7.181 -6.496 36 HG LEU 6 HG LEU 6 -4.919 -8.012 -6.275 37 HD11 LEU 6 1HD1 LEU 6 -5.280 -6.629 -8.249 38 HD12 LEU 6 2HD1 LEU 6 -3.609 -6.070 -8.177 39 HD13 LEU 6 3HD1 LEU 6 -4.738 -5.647 -6.889 40 HD21 LEU 6 1HD2 LEU 6 -3.459 -9.675 -7.300 41 HD22 LEU 6 2HD2 LEU 6 -2.814 -8.448 -8.388 42 HD23 LEU 6 3HD2 LEU 6 -4.503 -8.931 -8.513 43 H ILE 7 H ILE 7 -0.291 -9.149 -5.408 44 HA ILE 7 HA ILE 7 0.999 -7.834 -3.140 45 HB ILE 7 HB ILE 7 2.179 -9.650 -5.282 46 HG12 ILE 7 2HG1 ILE 7 1.456 -10.317 -2.416 47 HG13 ILE 7 1HG1 ILE 7 0.547 -10.828 -3.833 48 HG21 ILE 7 1HG2 ILE 7 3.853 -8.177 -4.327 49 HG22 ILE 7 2HG2 ILE 7 4.109 -9.830 -3.753 50 HG23 ILE 7 3HG2 ILE 7 3.361 -8.636 -2.696 51 HD11 ILE 7 1HD1 ILE 7 2.469 -12.131 -4.593 52 HD12 ILE 7 2HD1 ILE 7 1.959 -12.620 -2.976 53 HD13 ILE 7 3HD1 ILE 7 3.386 -11.603 -3.182 54 H GLY 8 H GLY 8 2.018 -5.940 -3.484 55 HA2 GLY 8 2HA GLY 8 3.088 -4.199 -4.577 56 HA3 GLY 8 1HA GLY 8 3.183 -5.228 -5.988 57 H ASN 9 H ASN 9 0.419 -5.589 -6.407 58 HA ASN 9 HA ASN 9 -0.185 -3.001 -7.705 59 HB2 ASN 9 2HB ASN 9 -1.309 -5.761 -8.153 60 HB3 ASN 9 1HB ASN 9 -1.768 -4.350 -9.090 61 HD21 ASN 9 1HD2 ASN 9 -0.662 -6.728 -10.138 62 HD22 ASN 9 2HD2 ASN 9 0.860 -6.355 -10.850 63 H GLU 10 H GLU 10 -0.713 -3.959 -4.954 64 HA GLU 10 HA GLU 10 -3.535 -4.204 -4.841 65 HB2 GLU 10 2HB GLU 10 -2.284 -5.670 -3.514 66 HB3 GLU 10 1HB GLU 10 -1.403 -4.391 -2.726 67 HG2 GLU 10 2HG GLU 10 -3.099 -5.227 -1.297 68 HG3 GLU 10 1HG GLU 10 -3.481 -3.576 -1.838 69 H ARG 11 H ARG 11 -3.998 -2.346 -5.598 70 HA ARG 11 HA ARG 11 -3.512 0.229 -4.777 71 HB2 ARG 11 2HB ARG 11 -6.154 -0.880 -5.655 72 HB3 ARG 11 1HB ARG 11 -5.793 0.836 -5.521 73 HG2 ARG 11 2HG ARG 11 -4.499 -1.153 -7.377 74 HG3 ARG 11 1HG ARG 11 -5.663 0.092 -7.824 75 HD2 ARG 11 2HD ARG 11 -2.882 0.536 -6.740 76 HD3 ARG 11 1HD ARG 11 -3.408 0.765 -8.400 77 HE ARG 11 HE ARG 11 -4.994 2.374 -6.746 78 HH11 ARG 11 1HH1 ARG 11 -1.658 2.168 -7.896 79 HH12 ARG 11 2HH1 ARG 11 -1.343 3.832 -7.718 80 HH21 ARG 11 1HH2 ARG 11 -4.578 4.624 -6.518 81 HH22 ARG 11 2HH2 ARG 11 -3.069 5.289 -6.944 82 H LEU 12 H LEU 12 -5.519 -2.120 -3.018 83 HA LEU 12 HA LEU 12 -6.753 -0.250 -1.275 84 HB2 LEU 12 2HB LEU 12 -6.105 -3.171 -0.865 85 HB3 LEU 12 1HB LEU 12 -7.057 -2.220 0.256 86 HG LEU 12 HG LEU 12 -7.818 -2.781 -2.609 87 HD11 LEU 12 1HD1 LEU 12 -8.883 -3.938 -0.037 88 HD12 LEU 12 2HD1 LEU 12 -7.908 -4.792 -1.234 89 HD13 LEU 12 3HD1 LEU 12 -9.527 -4.235 -1.652 90 HD21 LEU 12 1HD2 LEU 12 -9.336 -1.487 -0.361 91 HD22 LEU 12 2HD2 LEU 12 -9.979 -1.872 -1.959 92 HD23 LEU 12 3HD2 LEU 12 -8.699 -0.672 -1.788 93 H CYS 13 H CYS 13 -3.634 -1.583 -1.400 94 HA CYS 13 HA CYS 13 -2.933 -0.696 1.259 95 HB2 CYS 13 2HB CYS 13 -1.947 -2.752 0.506 96 HB3 CYS 13 1HB CYS 13 -1.402 -2.013 -0.987 97 H VAL 14 H VAL 14 -2.188 0.030 -2.120 98 HA VAL 14 HA VAL 14 -0.350 2.078 -1.855 99 HB VAL 14 HB VAL 14 -2.516 2.078 -3.943 100 HG11 VAL 14 1HG1 VAL 14 0.318 3.091 -4.013 101 HG12 VAL 14 2HG1 VAL 14 -1.141 4.062 -3.887 102 HG13 VAL 14 3HG1 VAL 14 -0.824 3.143 -5.365 103 HG21 VAL 14 1HG2 VAL 14 0.077 0.528 -3.995 104 HG22 VAL 14 2HG2 VAL 14 -1.054 0.665 -5.341 105 HG23 VAL 14 3HG2 VAL 14 -1.535 -0.168 -3.863 106 H VAL 15 H VAL 15 -3.900 2.339 -1.959 107 HA VAL 15 HA VAL 15 -4.013 5.131 -1.945 108 HB VAL 15 HB VAL 15 -5.896 3.651 -2.585 109 HG11 VAL 15 1HG1 VAL 15 -6.257 3.220 0.354 110 HG12 VAL 15 2HG1 VAL 15 -5.811 2.011 -0.851 111 HG13 VAL 15 3HG1 VAL 15 -7.414 2.753 -0.896 112 HG21 VAL 15 1HG2 VAL 15 -6.339 6.003 -2.203 113 HG22 VAL 15 2HG2 VAL 15 -6.572 5.705 -0.482 114 HG23 VAL 15 3HG2 VAL 15 -7.711 5.040 -1.652 115 H HIS 16 H HIS 16 -3.538 2.896 0.674 116 HA HIS 16 HA HIS 16 -4.258 4.702 2.777 117 HB2 HIS 16 2HB HIS 16 -4.318 2.387 3.332 118 HB3 HIS 16 1HB HIS 16 -2.722 2.090 2.686 119 HD1 HIS 16 1HD HIS 16 -4.317 3.869 5.686 120 HD2 HIS 16 2HD HIS 16 -0.763 2.107 4.465 121 HE1 HIS 16 1HE HIS 16 -2.783 3.895 7.709 122 H CYS 17 H CYS 17 -1.320 3.769 1.182 123 HA CYS 17 HA CYS 17 0.364 5.418 2.790 124 HB2 CYS 17 2HB CYS 17 0.850 4.247 0.063 125 HB3 CYS 17 1HB CYS 17 2.072 4.843 1.187 126 H LEU 18 H LEU 18 -1.343 5.858 -0.271 127 HA LEU 18 HA LEU 18 -0.201 8.382 -0.877 128 HB2 LEU 18 2HB LEU 18 -2.914 7.272 -1.598 129 HB3 LEU 18 1HB LEU 18 -2.198 8.701 -2.306 130 HG LEU 18 HG LEU 18 -1.098 5.904 -2.567 131 HD11 LEU 18 1HD1 LEU 18 -1.867 6.063 -4.883 132 HD12 LEU 18 2HD1 LEU 18 -2.605 7.624 -4.521 133 HD13 LEU 18 3HD1 LEU 18 -3.210 6.162 -3.743 134 HD21 LEU 18 1HD2 LEU 18 0.343 6.893 -4.283 135 HD22 LEU 18 2HD2 LEU 18 0.643 7.605 -2.702 136 HD23 LEU 18 3HD2 LEU 18 -0.302 8.489 -3.902 137 H ALA 19 H ALA 19 -2.901 7.368 1.134 138 HA ALA 19 HA ALA 19 -3.912 9.979 1.626 139 HB1 ALA 19 1HB ALA 19 -4.251 7.460 3.259 140 HB2 ALA 19 2HB ALA 19 -5.280 7.957 1.918 141 HB3 ALA 19 3HB ALA 19 -5.228 8.923 3.393 142 H LYS 20 H LYS 20 -1.559 7.922 3.187 143 HA LYS 20 HA LYS 20 -1.199 9.715 5.382 144 HB2 LYS 20 2HB LYS 20 0.487 7.408 4.434 145 HB3 LYS 20 1HB LYS 20 0.838 8.347 5.880 146 HG2 LYS 20 2HG LYS 20 -1.340 7.710 6.811 147 HG3 LYS 20 1HG LYS 20 -1.666 6.756 5.367 148 HD2 LYS 20 2HD LYS 20 -0.915 5.314 7.158 149 HD3 LYS 20 1HD LYS 20 0.289 5.361 5.876 150 HE2 LYS 20 2HE LYS 20 1.301 5.456 8.107 151 HE3 LYS 20 1HE LYS 20 1.635 6.893 7.150 152 HZ1 LYS 20 1HZ LYS 20 -0.058 8.086 8.412 153 HZ2 LYS 20 2HZ LYS 20 1.065 7.400 9.452 154 HZ3 LYS 20 3HZ LYS 20 -0.437 6.683 9.270 155 H GLY 21 H GLY 21 0.124 9.488 2.221 156 HA2 GLY 21 2HA GLY 21 0.929 11.643 1.346 157 HA3 GLY 21 1HA GLY 21 1.744 11.871 2.886 158 H PHE 22 H PHE 22 1.756 8.780 1.413 159 HA PHE 22 HA PHE 22 4.606 9.032 0.918 160 HB2 PHE 22 2HB PHE 22 2.795 6.880 1.677 161 HB3 PHE 22 1HB PHE 22 3.953 6.333 0.492 162 HD1 PHE 22 1HD PHE 22 6.360 6.780 0.951 163 HD2 PHE 22 2HD PHE 22 3.349 7.076 3.919 164 HE1 PHE 22 1HE PHE 22 8.045 6.484 2.630 165 HE2 PHE 22 2HE PHE 22 5.036 6.780 5.663 166 HZ PHE 22 HZ PHE 22 7.413 6.486 5.048 167 H ARG 23 H ARG 23 5.518 8.174 -1.051 168 HA ARG 23 HA ARG 23 4.362 8.903 -3.468 169 HB2 ARG 23 2HB ARG 23 6.465 6.819 -2.860 170 HB3 ARG 23 1HB ARG 23 6.006 7.273 -4.491 171 HG2 ARG 23 2HG ARG 23 7.184 9.122 -2.429 172 HG3 ARG 23 1HG ARG 23 8.057 8.382 -3.771 173 HD2 ARG 23 2HD ARG 23 5.758 10.328 -3.965 174 HD3 ARG 23 1HD ARG 23 7.447 10.636 -4.357 175 HE ARG 23 HE ARG 23 7.085 8.749 -6.030 176 HH11 ARG 23 1HH1 ARG 23 4.687 11.199 -5.226 177 HH12 ARG 23 2HH1 ARG 23 3.886 11.146 -6.725 178 HH21 ARG 23 1HH2 ARG 23 6.058 8.693 -8.099 179 HH22 ARG 23 2HH2 ARG 23 4.670 9.660 -8.413 180 H GLY 24 H GLY 24 4.082 6.011 -1.608 181 HA2 GLY 24 2HA GLY 24 1.658 5.246 -2.473 182 HA3 GLY 24 1HA GLY 24 2.773 4.532 -3.638 183 H GLY 25 H GLY 25 1.628 2.664 -2.524 184 HA2 GLY 25 2HA GLY 25 3.444 1.714 -0.501 185 HA3 GLY 25 1HA GLY 25 1.715 1.701 -0.145 186 H TRP 26 H TRP 26 3.367 -0.538 -0.321 187 HA TRP 26 HA TRP 26 1.988 -1.892 -2.464 188 HB2 TRP 26 2HB TRP 26 3.954 -2.884 -3.418 189 HB3 TRP 26 1HB TRP 26 4.260 -1.159 -3.344 190 HD1 TRP 26 HD TRP 26 5.792 -4.399 -2.536 191 HE1 TRP 26 1HE TRP 26 7.892 -4.106 -1.089 192 HE3 TRP 26 3HE TRP 26 5.152 0.454 -1.171 193 HZ2 TRP 26 2HZ TRP 26 9.108 -2.090 0.445 194 HZ3 TRP 26 3HZ TRP 26 6.797 1.507 0.300 195 HH2 TRP 26 HH TRP 26 8.761 0.250 1.099 196 H CYS 27 H CYS 27 1.346 -3.810 -1.809 197 HA CYS 27 HA CYS 27 2.153 -4.714 0.797 198 HB2 CYS 27 2HB CYS 27 -0.198 -4.996 0.063 199 HB3 CYS 27 1HB CYS 27 0.356 -6.014 -1.265 200 H ASP 28 H ASP 28 3.801 -6.052 1.078 201 HA ASP 28 HA ASP 28 5.178 -6.926 -1.349 202 HB2 ASP 28 2HB ASP 28 7.153 -7.218 -0.045 203 HB3 ASP 28 1HB ASP 28 6.398 -5.758 0.569 204 H SER 29 H SER 29 6.504 -9.131 -0.703 205 HA SER 29 HA SER 29 4.724 -11.204 -1.151 206 HB2 SER 29 2HB SER 29 7.471 -11.462 0.034 207 HB3 SER 29 1HB SER 29 6.642 -12.573 -1.063 208 HG SER 29 HG SER 29 6.690 -10.696 -2.615 209 H ARG 30 H ARG 30 5.860 -9.837 1.895 210 HA ARG 30 HA ARG 30 5.088 -12.072 3.543 211 HB2 ARG 30 2HB ARG 30 5.825 -9.225 4.234 212 HB3 ARG 30 1HB ARG 30 5.536 -10.494 5.414 213 HG2 ARG 30 2HG ARG 30 7.416 -11.737 4.611 214 HG3 ARG 30 1HG ARG 30 7.668 -10.584 3.298 215 HD2 ARG 30 2HD ARG 30 9.240 -10.232 5.145 216 HD3 ARG 30 1HD ARG 30 8.183 -8.842 4.915 217 HE ARG 30 HE ARG 30 6.900 -10.281 6.797 218 HH11 ARG 30 1HH1 ARG 30 10.253 -9.146 6.592 219 HH12 ARG 30 2HH1 ARG 30 10.410 -8.907 8.273 220 HH21 ARG 30 1HH2 ARG 30 7.123 -9.964 9.049 221 HH22 ARG 30 2HH2 ARG 30 8.594 -9.401 9.722 222 H LYS 31 H LYS 31 3.381 -9.812 1.884 223 HA LYS 31 HA LYS 31 1.263 -9.153 1.797 224 HB2 LYS 31 2HB LYS 31 0.752 -11.126 4.025 225 HB3 LYS 31 1HB LYS 31 -0.471 -10.399 2.997 226 HG2 LYS 31 2HG LYS 31 1.729 -12.229 2.062 227 HG3 LYS 31 1HG LYS 31 0.060 -12.710 2.338 228 HD2 LYS 31 2HD LYS 31 -0.676 -11.159 0.592 229 HD3 LYS 31 1HD LYS 31 0.991 -10.638 0.345 230 HE2 LYS 31 2HE LYS 31 0.326 -12.247 -1.349 231 HE3 LYS 31 1HE LYS 31 1.610 -12.894 -0.332 232 HZ1 LYS 31 1HZ LYS 31 -0.111 -14.513 -0.776 233 HZ2 LYS 31 2HZ LYS 31 -1.281 -13.537 -0.078 234 HZ3 LYS 31 3HZ LYS 31 -0.053 -14.186 0.872 235 H VAL 32 H VAL 32 3.123 -7.793 3.298 236 HA VAL 32 HA VAL 32 1.457 -6.509 5.326 237 HB VAL 32 HB VAL 32 4.450 -6.332 4.851 238 HG11 VAL 32 1HG1 VAL 32 4.544 -5.089 6.979 239 HG12 VAL 32 2HG1 VAL 32 2.782 -5.116 7.055 240 HG13 VAL 32 3HG1 VAL 32 3.592 -4.243 5.757 241 HG21 VAL 32 1HG2 VAL 32 2.929 -7.694 7.071 242 HG22 VAL 32 2HG2 VAL 32 4.683 -7.525 6.990 243 HG23 VAL 32 3HG2 VAL 32 3.832 -8.489 5.782 244 H CYS 33 H CYS 33 0.826 -4.437 4.939 245 HA CYS 33 HA CYS 33 1.310 -3.298 2.344 246 HB2 CYS 33 2HB CYS 33 -0.939 -3.005 3.619 247 HB3 CYS 33 1HB CYS 33 -0.023 -2.034 4.747 248 H ASN 34 H ASN 34 3.198 -2.278 1.971 249 HA ASN 34 HA ASN 34 4.509 -0.924 4.241 250 HB2 ASN 34 2HB ASN 34 5.799 -1.817 1.648 251 HB3 ASN 34 1HB ASN 34 6.611 -1.199 3.073 252 HD21 ASN 34 1HD2 ASN 34 5.172 -3.870 1.558 253 HD22 ASN 34 2HD2 ASN 34 5.589 -5.105 2.686 254 H CYS 35 H CYS 35 5.156 1.223 3.890 255 HA CYS 35 HA CYS 35 4.139 2.408 1.381 256 HB2 CYS 35 2HB CYS 35 4.395 3.718 4.093 257 HB3 CYS 35 1HB CYS 35 3.777 4.479 2.637 258 H ARG 36 H ARG 36 5.520 3.325 0.062 259 HA ARG 36 HA ARG 36 7.509 5.104 0.552 260 HB2 ARG 36 2HB ARG 36 8.638 3.170 1.761 261 HB3 ARG 36 1HB ARG 36 8.790 2.396 0.191 262 HG2 ARG 36 2HG ARG 36 10.163 4.216 -0.604 263 HG3 ARG 36 1HG ARG 36 9.971 5.055 0.938 264 HD2 ARG 36 2HD ARG 36 11.015 3.096 2.065 265 HD3 ARG 36 1HD ARG 36 11.330 2.401 0.474 266 HE ARG 36 HE ARG 36 12.357 4.979 0.532 267 HH11 ARG 36 1HH1 ARG 36 13.043 1.818 1.970 268 HH12 ARG 36 2HH1 ARG 36 14.682 2.148 2.258 269 HH21 ARG 36 1HH2 ARG 36 14.624 5.441 0.937 270 HH22 ARG 36 2HH2 ARG 36 15.604 4.257 1.642 271 H ARG 37 H ARG 37 6.522 2.316 -1.397 272 HA ARG 37 HA ARG 37 7.652 3.570 -3.790 273 HB2 ARG 37 2HB ARG 37 6.714 0.726 -3.396 274 HB3 ARG 37 1HB ARG 37 7.550 1.374 -4.801 275 HG2 ARG 37 2HG ARG 37 9.528 1.769 -3.428 276 HG3 ARG 37 1HG ARG 37 8.645 1.120 -2.036 277 HD2 ARG 37 2HD ARG 37 8.444 -1.032 -3.169 278 HD3 ARG 37 1HD ARG 37 9.311 -0.391 -4.566 279 HE ARG 37 HE ARG 37 11.074 0.075 -2.699 280 HH11 ARG 37 1HH1 ARG 37 9.157 -2.878 -3.222 281 HH12 ARG 37 2HH1 ARG 37 10.270 -3.919 -2.501 282 HH21 ARG 37 1HH2 ARG 37 12.649 -1.386 -1.723 283 HH22 ARG 37 2HH2 ARG 37 12.321 -3.047 -1.635 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 -10.263 -1.516 6.135 2 H2 GLY 1 2HT GLY 1 -9.450 -2.871 5.520 3 H3 GLY 1 3HT GLY 1 -9.818 -1.591 4.508 4 HA2 GLY 1 1HA GLY 1 -8.323 -0.150 5.686 5 HA3 GLY 1 2HA GLY 1 -7.926 -1.495 6.754 6 H ILE 2 H ILE 2 -5.763 -1.743 6.121 7 HA ILE 2 HA ILE 2 -5.300 -2.079 3.312 8 HB ILE 2 HB ILE 2 -2.874 -2.307 4.057 9 HG12 ILE 2 2HG1 ILE 2 -4.059 -1.273 6.648 10 HG13 ILE 2 1HG1 ILE 2 -3.235 -2.815 6.425 11 HG21 ILE 2 1HG2 ILE 2 -4.353 0.262 4.549 12 HG22 ILE 2 2HG2 ILE 2 -3.742 -0.324 3.004 13 HG23 ILE 2 3HG2 ILE 2 -2.617 0.121 4.287 14 HD11 ILE 2 1HD1 ILE 2 -2.008 -0.083 6.163 15 HD12 ILE 2 2HD1 ILE 2 -1.160 -1.615 5.962 16 HD13 ILE 2 3HD1 ILE 2 -1.825 -1.170 7.540 17 H THR 3 H THR 3 -5.359 -3.890 2.413 18 HA THR 3 HA THR 3 -4.821 -6.369 3.863 19 HB THR 3 HB THR 3 -7.195 -5.933 2.000 20 HG1 THR 3 1HG THR 3 -6.934 -5.666 4.786 21 HG21 THR 3 1HG2 THR 3 -7.989 -8.064 2.929 22 HG22 THR 3 2HG2 THR 3 -6.569 -8.149 3.970 23 HG23 THR 3 3HG2 THR 3 -6.386 -8.267 2.220 24 H CYS 4 H CYS 4 -4.080 -8.022 2.301 25 HA CYS 4 HA CYS 4 -3.391 -6.838 -0.272 26 HB2 CYS 4 2HB CYS 4 -1.724 -8.665 1.430 27 HB3 CYS 4 1HB CYS 4 -1.301 -8.145 -0.200 28 H ASP 5 H ASP 5 -4.750 -7.735 -1.661 29 HA ASP 5 HA ASP 5 -5.043 -10.625 -1.581 30 HB2 ASP 5 2HB ASP 5 -7.138 -9.328 -1.825 31 HB3 ASP 5 1HB ASP 5 -6.466 -8.547 -3.255 32 H LEU 6 H LEU 6 -3.824 -7.914 -3.436 33 HA LEU 6 HA LEU 6 -2.320 -9.832 -5.022 34 HB2 LEU 6 2HB LEU 6 -3.294 -7.082 -5.754 35 HB3 LEU 6 1HB LEU 6 -2.125 -7.980 -6.701 36 HG LEU 6 HG LEU 6 -4.997 -8.764 -6.204 37 HD11 LEU 6 1HD1 LEU 6 -5.262 -8.333 -8.599 38 HD12 LEU 6 2HD1 LEU 6 -3.588 -7.783 -8.674 39 HD13 LEU 6 3HD1 LEU 6 -4.767 -6.880 -7.733 40 HD21 LEU 6 1HD2 LEU 6 -2.864 -10.100 -7.872 41 HD22 LEU 6 2HD2 LEU 6 -4.567 -10.546 -7.841 42 HD23 LEU 6 3HD2 LEU 6 -3.586 -10.742 -6.394 43 H ILE 7 H ILE 7 -0.269 -9.135 -5.538 44 HA ILE 7 HA ILE 7 1.034 -7.627 -3.428 45 HB ILE 7 HB ILE 7 2.180 -9.354 -5.624 46 HG12 ILE 7 2HG1 ILE 7 0.980 -10.670 -4.018 47 HG13 ILE 7 1HG1 ILE 7 2.722 -10.900 -3.858 48 HG21 ILE 7 1HG2 ILE 7 3.584 -8.053 -3.302 49 HG22 ILE 7 2HG2 ILE 7 3.771 -7.642 -5.007 50 HG23 ILE 7 3HG2 ILE 7 4.307 -9.215 -4.414 51 HD11 ILE 7 1HD1 ILE 7 1.644 -10.829 -1.678 52 HD12 ILE 7 2HD1 ILE 7 0.976 -9.242 -2.041 53 HD13 ILE 7 3HD1 ILE 7 2.723 -9.448 -1.882 54 H GLY 8 H GLY 8 1.668 -5.744 -3.761 55 HA2 GLY 8 2HA GLY 8 2.479 -3.764 -4.750 56 HA3 GLY 8 1HA GLY 8 2.770 -4.708 -6.197 57 H ASN 9 H ASN 9 0.091 -5.479 -6.648 58 HA ASN 9 HA ASN 9 -0.839 -3.048 -8.006 59 HB2 ASN 9 2HB ASN 9 -1.535 -5.958 -8.286 60 HB3 ASN 9 1HB ASN 9 -2.450 -4.700 -9.097 61 HD21 ASN 9 1HD2 ASN 9 0.604 -6.387 -8.967 62 HD22 ASN 9 2HD2 ASN 9 1.184 -5.808 -10.483 63 H GLU 10 H GLU 10 -1.205 -4.093 -5.186 64 HA GLU 10 HA GLU 10 -4.030 -4.242 -4.920 65 HB2 GLU 10 2HB GLU 10 -2.648 -5.684 -3.672 66 HB3 GLU 10 1HB GLU 10 -1.733 -4.395 -2.953 67 HG2 GLU 10 2HG GLU 10 -3.243 -5.236 -1.398 68 HG3 GLU 10 1HG GLU 10 -3.831 -3.644 -1.924 69 H ARG 11 H ARG 11 -4.370 -2.336 -5.796 70 HA ARG 11 HA ARG 11 -3.445 0.214 -5.123 71 HB2 ARG 11 2HB ARG 11 -6.165 -0.475 -6.200 72 HB3 ARG 11 1HB ARG 11 -5.383 1.100 -6.275 73 HG2 ARG 11 2HG ARG 11 -4.393 -1.417 -7.607 74 HG3 ARG 11 1HG ARG 11 -5.234 -0.090 -8.403 75 HD2 ARG 11 2HD ARG 11 -2.577 0.136 -6.977 76 HD3 ARG 11 1HD ARG 11 -2.774 0.002 -8.715 77 HE ARG 11 HE ARG 11 -4.328 2.117 -7.966 78 HH11 ARG 11 1HH1 ARG 11 -0.855 1.323 -7.768 79 HH12 ARG 11 2HH1 ARG 11 -0.351 2.938 -7.922 80 HH21 ARG 11 1HH2 ARG 11 -3.593 4.339 -8.125 81 HH22 ARG 11 2HH2 ARG 11 -1.936 4.692 -8.078 82 H LEU 12 H LEU 12 -6.049 -1.614 -3.654 83 HA LEU 12 HA LEU 12 -7.055 0.506 -2.081 84 HB2 LEU 12 2HB LEU 12 -7.204 -2.475 -1.704 85 HB3 LEU 12 1HB LEU 12 -8.064 -1.334 -0.691 86 HG LEU 12 HG LEU 12 -8.488 -1.728 -3.660 87 HD11 LEU 12 1HD1 LEU 12 -9.295 -3.603 -2.350 88 HD12 LEU 12 2HD1 LEU 12 -10.640 -2.663 -2.994 89 HD13 LEU 12 3HD1 LEU 12 -10.185 -2.502 -1.299 90 HD21 LEU 12 1HD2 LEU 12 -9.941 0.028 -1.676 91 HD22 LEU 12 2HD2 LEU 12 -10.445 -0.269 -3.336 92 HD23 LEU 12 3HD2 LEU 12 -8.935 0.581 -3.019 93 H CYS 13 H CYS 13 -4.268 -1.417 -1.817 94 HA CYS 13 HA CYS 13 -3.839 -0.724 0.950 95 HB2 CYS 13 2HB CYS 13 -3.049 -2.884 0.243 96 HB3 CYS 13 1HB CYS 13 -2.173 -2.184 -1.117 97 H VAL 14 H VAL 14 -2.531 -0.020 -2.235 98 HA VAL 14 HA VAL 14 -0.498 1.780 -1.599 99 HB VAL 14 HB VAL 14 -2.237 1.897 -4.058 100 HG11 VAL 14 1HG1 VAL 14 -0.216 2.753 -5.184 101 HG12 VAL 14 2HG1 VAL 14 0.625 2.746 -3.634 102 HG13 VAL 14 3HG1 VAL 14 -0.762 3.808 -3.880 103 HG21 VAL 14 1HG2 VAL 14 0.211 0.197 -3.591 104 HG22 VAL 14 2HG2 VAL 14 -0.689 0.340 -5.108 105 HG23 VAL 14 3HG2 VAL 14 -1.451 -0.385 -3.699 106 H VAL 15 H VAL 15 -3.953 2.371 -2.083 107 HA VAL 15 HA VAL 15 -3.861 5.162 -2.191 108 HB VAL 15 HB VAL 15 -5.818 3.784 -2.857 109 HG11 VAL 15 1HG1 VAL 15 -6.343 3.552 0.082 110 HG12 VAL 15 2HG1 VAL 15 -5.931 2.245 -1.026 111 HG13 VAL 15 3HG1 VAL 15 -7.472 3.093 -1.195 112 HG21 VAL 15 1HG2 VAL 15 -7.553 5.352 -2.106 113 HG22 VAL 15 2HG2 VAL 15 -6.075 6.185 -2.596 114 HG23 VAL 15 3HG2 VAL 15 -6.441 5.969 -0.884 115 H HIS 16 H HIS 16 -3.623 3.038 0.516 116 HA HIS 16 HA HIS 16 -4.332 4.889 2.570 117 HB2 HIS 16 2HB HIS 16 -4.304 2.497 3.004 118 HB3 HIS 16 1HB HIS 16 -2.610 2.400 2.567 119 HD1 HIS 16 1HD HIS 16 -4.852 3.610 5.358 120 HD2 HIS 16 2HD HIS 16 -0.843 2.866 4.581 121 HE1 HIS 16 1HE HIS 16 -3.658 3.836 7.567 122 H CYS 17 H CYS 17 -1.385 3.920 1.018 123 HA CYS 17 HA CYS 17 0.424 5.533 2.500 124 HB2 CYS 17 2HB CYS 17 0.692 4.482 -0.302 125 HB3 CYS 17 1HB CYS 17 1.982 4.845 0.840 126 H LEU 18 H LEU 18 -1.393 5.948 -0.502 127 HA LEU 18 HA LEU 18 -0.195 8.425 -1.203 128 HB2 LEU 18 2HB LEU 18 -2.907 7.357 -1.986 129 HB3 LEU 18 1HB LEU 18 -2.045 8.657 -2.781 130 HG LEU 18 HG LEU 18 -1.235 5.754 -2.716 131 HD11 LEU 18 1HD1 LEU 18 -1.680 5.816 -5.115 132 HD12 LEU 18 2HD1 LEU 18 -2.246 7.479 -4.965 133 HD13 LEU 18 3HD1 LEU 18 -3.125 6.174 -4.170 134 HD21 LEU 18 1HD2 LEU 18 0.744 7.167 -2.711 135 HD22 LEU 18 2HD2 LEU 18 0.094 8.111 -4.050 136 HD23 LEU 18 3HD2 LEU 18 0.535 6.420 -4.297 137 H ALA 19 H ALA 19 -2.944 7.526 0.777 138 HA ALA 19 HA ALA 19 -3.997 10.131 1.094 139 HB1 ALA 19 1HB ALA 19 -4.320 7.724 2.886 140 HB2 ALA 19 2HB ALA 19 -5.331 8.106 1.493 141 HB3 ALA 19 3HB ALA 19 -5.327 9.170 2.901 142 H LYS 20 H LYS 20 -1.804 8.161 3.076 143 HA LYS 20 HA LYS 20 -1.509 10.117 5.111 144 HB2 LYS 20 2HB LYS 20 0.206 7.783 4.329 145 HB3 LYS 20 1HB LYS 20 0.669 8.875 5.623 146 HG2 LYS 20 2HG LYS 20 -1.447 8.302 6.789 147 HG3 LYS 20 1HG LYS 20 -1.788 7.121 5.525 148 HD2 LYS 20 2HD LYS 20 0.193 5.895 6.040 149 HD3 LYS 20 1HD LYS 20 0.721 7.144 7.168 150 HE2 LYS 20 2HE LYS 20 -1.164 6.677 8.609 151 HE3 LYS 20 1HE LYS 20 -1.769 5.486 7.460 152 HZ1 LYS 20 1HZ LYS 20 -0.606 4.455 9.285 153 HZ2 LYS 20 2HZ LYS 20 0.817 5.274 8.932 154 HZ3 LYS 20 3HZ LYS 20 0.170 4.153 7.831 155 H GLY 21 H GLY 21 0.232 9.536 2.152 156 HA2 GLY 21 2HA GLY 21 1.048 11.643 1.107 157 HA3 GLY 21 1HA GLY 21 1.698 12.035 2.694 158 H PHE 22 H PHE 22 1.743 9.096 0.808 159 HA PHE 22 HA PHE 22 4.647 9.028 1.102 160 HB2 PHE 22 2HB PHE 22 2.541 6.927 0.994 161 HB3 PHE 22 1HB PHE 22 4.132 6.480 0.427 162 HD1 PHE 22 1HD PHE 22 5.956 6.492 1.865 163 HD2 PHE 22 2HD PHE 22 2.068 7.338 3.272 164 HE1 PHE 22 1HE PHE 22 6.715 6.035 4.048 165 HE2 PHE 22 2HE PHE 22 2.799 6.887 5.575 166 HZ PHE 22 HZ PHE 22 5.145 6.230 6.003 167 H ARG 23 H ARG 23 5.817 8.091 -0.641 168 HA ARG 23 HA ARG 23 5.196 9.049 -3.212 169 HB2 ARG 23 2HB ARG 23 7.493 8.561 -2.457 170 HB3 ARG 23 1HB ARG 23 7.092 6.861 -2.306 171 HG2 ARG 23 2HG ARG 23 6.777 6.720 -4.726 172 HG3 ARG 23 1HG ARG 23 7.177 8.431 -4.882 173 HD2 ARG 23 2HD ARG 23 8.988 6.295 -3.765 174 HD3 ARG 23 1HD ARG 23 9.101 6.978 -5.388 175 HE ARG 23 HE ARG 23 9.208 9.115 -3.669 176 HH11 ARG 23 1HH1 ARG 23 11.191 6.233 -4.155 177 HH12 ARG 23 2HH1 ARG 23 12.647 6.952 -3.643 178 HH21 ARG 23 1HH2 ARG 23 11.159 10.118 -2.999 179 HH22 ARG 23 2HH2 ARG 23 12.630 9.242 -2.974 180 H GLY 24 H GLY 24 4.516 6.134 -1.438 181 HA2 GLY 24 2HA GLY 24 2.287 5.395 -2.754 182 HA3 GLY 24 1HA GLY 24 3.590 4.676 -3.694 183 H GLY 25 H GLY 25 2.437 2.705 -2.961 184 HA2 GLY 25 2HA GLY 25 3.703 1.712 -0.591 185 HA3 GLY 25 1HA GLY 25 1.945 1.785 -0.535 186 H TRP 26 H TRP 26 3.177 -0.610 -0.321 187 HA TRP 26 HA TRP 26 2.155 -1.975 -2.624 188 HB2 TRP 26 2HB TRP 26 4.183 -3.032 -3.340 189 HB3 TRP 26 1HB TRP 26 4.490 -1.304 -3.312 190 HD1 TRP 26 HD TRP 26 5.901 -4.511 -2.167 191 HE1 TRP 26 1HE TRP 26 7.880 -4.141 -0.526 192 HE3 TRP 26 3HE TRP 26 5.227 0.429 -1.149 193 HZ2 TRP 26 2HZ TRP 26 8.963 -2.068 0.984 194 HZ3 TRP 26 3HZ TRP 26 6.743 1.532 0.436 195 HH2 TRP 26 HH TRP 26 8.593 0.296 1.474 196 H CYS 27 H CYS 27 1.774 -4.076 -2.158 197 HA CYS 27 HA CYS 27 2.213 -4.981 0.553 198 HB2 CYS 27 2HB CYS 27 0.886 -6.258 -1.841 199 HB3 CYS 27 1HB CYS 27 1.035 -7.041 -0.270 200 H ASP 28 H ASP 28 3.918 -6.182 1.086 201 HA ASP 28 HA ASP 28 5.665 -7.003 -1.105 202 HB2 ASP 28 2HB ASP 28 7.449 -7.261 0.473 203 HB3 ASP 28 1HB ASP 28 6.611 -5.789 0.925 204 H SER 29 H SER 29 6.923 -9.217 -0.277 205 HA SER 29 HA SER 29 5.085 -11.174 -1.025 206 HB2 SER 29 2HB SER 29 7.532 -11.257 -1.461 207 HB3 SER 29 1HB SER 29 7.788 -11.586 0.253 208 HG SER 29 HG SER 29 6.709 -13.501 0.045 209 H ARG 30 H ARG 30 5.867 -9.982 2.159 210 HA ARG 30 HA ARG 30 4.957 -12.330 3.579 211 HB2 ARG 30 2HB ARG 30 5.406 -9.511 4.538 212 HB3 ARG 30 1HB ARG 30 5.103 -10.894 5.567 213 HG2 ARG 30 2HG ARG 30 7.219 -11.827 5.082 214 HG3 ARG 30 1HG ARG 30 7.476 -10.705 3.736 215 HD2 ARG 30 2HD ARG 30 7.286 -9.980 6.664 216 HD3 ARG 30 1HD ARG 30 8.745 -9.943 5.665 217 HE ARG 30 HE ARG 30 7.004 -8.390 4.306 218 HH11 ARG 30 1HH1 ARG 30 8.316 -8.211 7.589 219 HH12 ARG 30 2HH1 ARG 30 8.015 -6.544 7.766 220 HH21 ARG 30 1HH2 ARG 30 6.565 -6.193 4.553 221 HH22 ARG 30 2HH2 ARG 30 7.018 -5.320 5.964 222 H LYS 31 H LYS 31 3.338 -10.082 1.793 223 HA LYS 31 HA LYS 31 1.155 -9.530 1.493 224 HB2 LYS 31 2HB LYS 31 0.505 -11.184 3.960 225 HB3 LYS 31 1HB LYS 31 -0.653 -10.581 2.791 226 HG2 LYS 31 2HG LYS 31 1.494 -12.623 2.238 227 HG3 LYS 31 1HG LYS 31 -0.204 -12.976 2.549 228 HD2 LYS 31 2HD LYS 31 -0.809 -11.694 0.538 229 HD3 LYS 31 1HD LYS 31 0.907 -11.402 0.232 230 HE2 LYS 31 2HE LYS 31 1.317 -13.772 0.020 231 HE3 LYS 31 1HE LYS 31 -0.353 -14.134 0.436 232 HZ1 LYS 31 1HZ LYS 31 -0.109 -14.273 -1.916 233 HZ2 LYS 31 2HZ LYS 31 0.637 -12.794 -2.021 234 HZ3 LYS 31 3HZ LYS 31 -0.996 -12.879 -1.611 235 H VAL 32 H VAL 32 3.076 -8.189 3.300 236 HA VAL 32 HA VAL 32 1.291 -6.746 5.113 237 HB VAL 32 HB VAL 32 4.316 -6.618 4.830 238 HG11 VAL 32 1HG1 VAL 32 4.290 -5.417 6.968 239 HG12 VAL 32 2HG1 VAL 32 2.529 -5.452 6.966 240 HG13 VAL 32 3HG1 VAL 32 3.392 -4.542 5.727 241 HG21 VAL 32 1HG2 VAL 32 2.640 -8.007 6.917 242 HG22 VAL 32 2HG2 VAL 32 4.398 -7.871 6.937 243 HG23 VAL 32 3HG2 VAL 32 3.598 -8.790 5.662 244 H CYS 33 H CYS 33 0.768 -4.717 4.841 245 HA CYS 33 HA CYS 33 1.306 -3.441 2.338 246 HB2 CYS 33 2HB CYS 33 -0.532 -2.953 4.643 247 HB3 CYS 33 1HB CYS 33 -0.080 -1.595 3.619 248 H ASN 34 H ASN 34 3.004 -2.245 2.025 249 HA ASN 34 HA ASN 34 4.231 -0.909 4.344 250 HB2 ASN 34 2HB ASN 34 5.634 -1.763 1.808 251 HB3 ASN 34 1HB ASN 34 6.367 -1.132 3.268 252 HD21 ASN 34 1HD2 ASN 34 5.081 -3.833 1.677 253 HD22 ASN 34 2HD2 ASN 34 5.495 -5.041 2.840 254 H CYS 35 H CYS 35 4.614 1.234 4.052 255 HA CYS 35 HA CYS 35 3.996 2.337 1.389 256 HB2 CYS 35 2HB CYS 35 3.670 3.733 4.064 257 HB3 CYS 35 1HB CYS 35 3.276 4.379 2.491 258 H ARG 36 H ARG 36 5.507 3.448 0.382 259 HA ARG 36 HA ARG 36 7.434 5.113 1.411 260 HB2 ARG 36 2HB ARG 36 8.282 3.008 2.527 261 HB3 ARG 36 1HB ARG 36 8.633 2.384 0.923 262 HG2 ARG 36 2HG ARG 36 10.159 4.269 0.556 263 HG3 ARG 36 1HG ARG 36 9.832 4.814 2.203 264 HD2 ARG 36 2HD ARG 36 11.086 2.198 1.394 265 HD3 ARG 36 1HD ARG 36 11.899 3.571 2.152 266 HE ARG 36 HE ARG 36 9.682 2.386 3.608 267 HH11 ARG 36 1HH1 ARG 36 13.206 2.640 3.256 268 HH12 ARG 36 2HH1 ARG 36 13.530 1.901 4.749 269 HH21 ARG 36 1HH2 ARG 36 10.138 1.397 5.652 270 HH22 ARG 36 2HH2 ARG 36 11.758 1.176 6.138 271 H ARG 37 H ARG 37 6.958 2.481 -0.928 272 HA ARG 37 HA ARG 37 8.494 3.954 -2.910 273 HB2 ARG 37 2HB ARG 37 7.622 1.071 -2.858 274 HB3 ARG 37 1HB ARG 37 8.720 1.806 -4.023 275 HG2 ARG 37 2HG ARG 37 10.320 2.230 -2.221 276 HG3 ARG 37 1HG ARG 37 9.172 1.506 -1.084 277 HD2 ARG 37 2HD ARG 37 9.340 -0.619 -2.275 278 HD3 ARG 37 1HD ARG 37 10.490 0.097 -3.407 279 HE ARG 37 HE ARG 37 11.759 0.574 -1.192 280 HH11 ARG 37 1HH1 ARG 37 10.102 -2.397 -2.137 281 HH12 ARG 37 2HH1 ARG 37 11.002 -3.421 -1.143 282 HH21 ARG 37 1HH2 ARG 37 13.059 -0.842 0.185 283 HH22 ARG 37 2HH2 ARG 37 12.742 -2.517 0.205 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 -9.077 -1.675 6.351 2 H2 GLY 1 2HT GLY 1 -8.928 -0.312 7.376 3 H3 GLY 1 3HT GLY 1 -7.691 -1.459 7.284 4 HA2 GLY 1 1HA GLY 1 -8.568 0.262 5.073 5 HA3 GLY 1 2HA GLY 1 -7.133 0.512 6.063 6 H ILE 2 H ILE 2 -5.359 -0.942 5.856 7 HA ILE 2 HA ILE 2 -4.999 -1.768 3.198 8 HB ILE 2 HB ILE 2 -2.777 -2.631 4.104 9 HG12 ILE 2 2HG1 ILE 2 -3.834 -1.244 6.588 10 HG13 ILE 2 1HG1 ILE 2 -3.361 -2.935 6.450 11 HG21 ILE 2 1HG2 ILE 2 -3.536 0.264 4.419 12 HG22 ILE 2 2HG2 ILE 2 -3.007 -0.535 2.939 13 HG23 ILE 2 3HG2 ILE 2 -1.890 -0.350 4.290 14 HD11 ILE 2 1HD1 ILE 2 -1.739 -1.539 7.646 15 HD12 ILE 2 2HD1 ILE 2 -1.537 -0.569 6.176 16 HD13 ILE 2 3HD1 ILE 2 -1.054 -2.267 6.194 17 H THR 3 H THR 3 -5.210 -3.604 2.248 18 HA THR 3 HA THR 3 -5.357 -6.094 3.723 19 HB THR 3 HB THR 3 -7.460 -5.218 1.710 20 HG1 THR 3 1HG THR 3 -7.251 -4.774 4.371 21 HG21 THR 3 1HG2 THR 3 -7.056 -7.647 1.776 22 HG22 THR 3 2HG2 THR 3 -8.644 -7.255 2.434 23 HG23 THR 3 3HG2 THR 3 -7.311 -7.643 3.522 24 H CYS 4 H CYS 4 -4.317 -7.662 2.498 25 HA CYS 4 HA CYS 4 -3.515 -6.816 -0.176 26 HB2 CYS 4 2HB CYS 4 -2.170 -8.791 1.657 27 HB3 CYS 4 1HB CYS 4 -1.624 -8.315 0.043 28 H ASP 5 H ASP 5 -4.939 -7.595 -1.524 29 HA ASP 5 HA ASP 5 -5.569 -10.457 -1.410 30 HB2 ASP 5 2HB ASP 5 -7.474 -8.862 -1.744 31 HB3 ASP 5 1HB ASP 5 -6.680 -8.265 -3.197 32 H LEU 6 H LEU 6 -4.057 -7.866 -3.186 33 HA LEU 6 HA LEU 6 -2.770 -9.766 -4.974 34 HB2 LEU 6 2HB LEU 6 -3.262 -6.801 -5.273 35 HB3 LEU 6 1HB LEU 6 -2.470 -7.835 -6.443 36 HG LEU 6 HG LEU 6 -5.368 -8.081 -5.628 37 HD11 LEU 6 1HD1 LEU 6 -4.955 -5.991 -6.799 38 HD12 LEU 6 2HD1 LEU 6 -5.863 -7.113 -7.811 39 HD13 LEU 6 3HD1 LEU 6 -4.140 -6.864 -8.095 40 HD21 LEU 6 1HD2 LEU 6 -3.799 -9.370 -7.860 41 HD22 LEU 6 2HD2 LEU 6 -5.535 -9.538 -7.588 42 HD23 LEU 6 3HD2 LEU 6 -4.390 -10.180 -6.409 43 H ILE 7 H ILE 7 -0.604 -9.279 -5.332 44 HA ILE 7 HA ILE 7 0.812 -7.845 -3.193 45 HB ILE 7 HB ILE 7 1.854 -9.969 -5.113 46 HG12 ILE 7 2HG1 ILE 7 1.260 -10.182 -2.151 47 HG13 ILE 7 1HG1 ILE 7 0.291 -10.888 -3.438 48 HG21 ILE 7 1HG2 ILE 7 3.594 -8.391 -4.448 49 HG22 ILE 7 2HG2 ILE 7 3.877 -9.977 -3.731 50 HG23 ILE 7 3HG2 ILE 7 3.214 -8.672 -2.748 51 HD11 ILE 7 1HD1 ILE 7 2.172 -12.319 -4.063 52 HD12 ILE 7 2HD1 ILE 7 1.716 -12.551 -2.375 53 HD13 ILE 7 3HD1 ILE 7 3.143 -11.598 -2.780 54 H GLY 8 H GLY 8 1.817 -6.008 -3.782 55 HA2 GLY 8 2HA GLY 8 2.869 -4.428 -5.097 56 HA3 GLY 8 1HA GLY 8 2.905 -5.596 -6.406 57 H ASN 9 H ASN 9 0.133 -6.023 -6.671 58 HA ASN 9 HA ASN 9 -0.596 -3.576 -8.150 59 HB2 ASN 9 2HB ASN 9 -1.771 -6.358 -8.168 60 HB3 ASN 9 1HB ASN 9 -2.427 -5.027 -9.098 61 HD21 ASN 9 1HD2 ASN 9 -1.468 -7.499 -10.085 62 HD22 ASN 9 2HD2 ASN 9 -0.167 -7.170 -11.160 63 H GLU 10 H GLU 10 -0.826 -4.094 -5.253 64 HA GLU 10 HA GLU 10 -3.648 -4.310 -4.914 65 HB2 GLU 10 2HB GLU 10 -2.269 -5.718 -3.583 66 HB3 GLU 10 1HB GLU 10 -1.412 -4.358 -2.900 67 HG2 GLU 10 2HG GLU 10 -3.042 -5.285 -1.417 68 HG3 GLU 10 1HG GLU 10 -3.412 -3.604 -1.865 69 H ARG 11 H ARG 11 -3.993 -2.403 -5.909 70 HA ARG 11 HA ARG 11 -3.237 0.159 -5.094 71 HB2 ARG 11 2HB ARG 11 -4.304 -0.150 -7.205 72 HB3 ARG 11 1HB ARG 11 -5.777 -0.712 -6.446 73 HG2 ARG 11 2HG ARG 11 -6.306 1.439 -5.601 74 HG3 ARG 11 1HG ARG 11 -4.704 2.059 -5.992 75 HD2 ARG 11 2HD ARG 11 -6.673 1.091 -8.046 76 HD3 ARG 11 1HD ARG 11 -6.529 2.777 -7.539 77 HE ARG 11 HE ARG 11 -4.028 1.685 -8.301 78 HH11 ARG 11 1HH1 ARG 11 -7.012 3.002 -9.657 79 HH12 ARG 11 2HH1 ARG 11 -6.277 3.624 -11.056 80 HH21 ARG 11 1HH2 ARG 11 -2.996 2.560 -10.168 81 HH22 ARG 11 2HH2 ARG 11 -3.920 3.376 -11.347 82 H LEU 12 H LEU 12 -5.689 -1.895 -3.786 83 HA LEU 12 HA LEU 12 -7.004 0.076 -2.214 84 HB2 LEU 12 2HB LEU 12 -6.784 -2.899 -1.746 85 HB3 LEU 12 1HB LEU 12 -7.882 -1.832 -0.895 86 HG LEU 12 HG LEU 12 -7.953 -2.412 -3.859 87 HD11 LEU 12 1HD1 LEU 12 -9.749 -3.332 -1.628 88 HD12 LEU 12 2HD1 LEU 12 -8.639 -4.333 -2.566 89 HD13 LEU 12 3HD1 LEU 12 -10.034 -3.591 -3.348 90 HD21 LEU 12 1HD2 LEU 12 -9.803 -0.782 -2.117 91 HD22 LEU 12 2HD2 LEU 12 -10.107 -1.217 -3.794 92 HD23 LEU 12 3HD2 LEU 12 -8.753 -0.165 -3.394 93 H CYS 13 H CYS 13 -4.047 -1.593 -1.873 94 HA CYS 13 HA CYS 13 -3.699 -0.802 0.879 95 HB2 CYS 13 2HB CYS 13 -2.745 -2.908 0.225 96 HB3 CYS 13 1HB CYS 13 -1.908 -2.166 -1.140 97 H VAL 14 H VAL 14 -2.417 -0.069 -2.330 98 HA VAL 14 HA VAL 14 -0.500 1.847 -1.736 99 HB VAL 14 HB VAL 14 -2.307 1.933 -4.156 100 HG11 VAL 14 1HG1 VAL 14 -0.367 2.928 -5.298 101 HG12 VAL 14 2HG1 VAL 14 0.511 2.926 -3.768 102 HG13 VAL 14 3HG1 VAL 14 -0.939 3.912 -3.950 103 HG21 VAL 14 1HG2 VAL 14 -0.662 0.510 -5.302 104 HG22 VAL 14 2HG2 VAL 14 -1.379 -0.319 -3.915 105 HG23 VAL 14 3HG2 VAL 14 0.242 0.360 -3.797 106 H VAL 15 H VAL 15 -3.984 2.284 -2.225 107 HA VAL 15 HA VAL 15 -4.021 5.070 -2.241 108 HB VAL 15 HB VAL 15 -5.910 3.634 -2.962 109 HG11 VAL 15 1HG1 VAL 15 -7.550 2.822 -1.336 110 HG12 VAL 15 2HG1 VAL 15 -6.443 3.276 -0.036 111 HG13 VAL 15 3HG1 VAL 15 -5.979 2.029 -1.191 112 HG21 VAL 15 1HG2 VAL 15 -6.627 5.747 -0.938 113 HG22 VAL 15 2HG2 VAL 15 -7.726 5.095 -2.151 114 HG23 VAL 15 3HG2 VAL 15 -6.299 6.004 -2.653 115 H HIS 16 H HIS 16 -3.758 2.885 0.439 116 HA HIS 16 HA HIS 16 -4.561 4.695 2.488 117 HB2 HIS 16 2HB HIS 16 -4.477 2.263 2.936 118 HB3 HIS 16 1HB HIS 16 -2.771 2.249 2.542 119 HD1 HIS 16 1HD HIS 16 -5.036 3.801 5.190 120 HD2 HIS 16 2HD HIS 16 -1.189 2.346 4.659 121 HE1 HIS 16 1HE HIS 16 -3.940 3.867 7.470 122 H CYS 17 H CYS 17 -1.566 3.833 0.982 123 HA CYS 17 HA CYS 17 0.142 5.509 2.531 124 HB2 CYS 17 2HB CYS 17 0.563 4.404 -0.234 125 HB3 CYS 17 1HB CYS 17 1.801 4.865 0.932 126 H LEU 18 H LEU 18 -1.702 5.871 -0.443 127 HA LEU 18 HA LEU 18 -0.544 8.369 -1.190 128 HB2 LEU 18 2HB LEU 18 -3.244 7.247 -1.940 129 HB3 LEU 18 1HB LEU 18 -2.418 8.560 -2.745 130 HG LEU 18 HG LEU 18 -1.573 5.670 -2.700 131 HD11 LEU 18 1HD1 LEU 18 -2.621 7.398 -4.928 132 HD12 LEU 18 2HD1 LEU 18 -3.489 6.094 -4.122 133 HD13 LEU 18 3HD1 LEU 18 -2.059 5.736 -5.090 134 HD21 LEU 18 1HD2 LEU 18 -0.277 8.023 -4.080 135 HD22 LEU 18 2HD2 LEU 18 0.191 6.333 -4.266 136 HD23 LEU 18 3HD2 LEU 18 0.390 7.134 -2.709 137 H ALA 19 H ALA 19 -3.248 7.404 0.814 138 HA ALA 19 HA ALA 19 -4.289 10.029 1.151 139 HB1 ALA 19 1HB ALA 19 -5.689 8.048 1.459 140 HB2 ALA 19 2HB ALA 19 -5.656 9.020 2.933 141 HB3 ALA 19 3HB ALA 19 -4.692 7.547 2.820 142 H LYS 20 H LYS 20 -2.010 8.022 2.926 143 HA LYS 20 HA LYS 20 -1.630 9.878 5.060 144 HB2 LYS 20 2HB LYS 20 0.054 7.611 4.040 145 HB3 LYS 20 1HB LYS 20 0.593 8.648 5.352 146 HG2 LYS 20 2HG LYS 20 -1.383 8.001 6.651 147 HG3 LYS 20 1HG LYS 20 -1.883 6.947 5.327 148 HD2 LYS 20 2HD LYS 20 -0.013 5.548 5.599 149 HD3 LYS 20 1HD LYS 20 0.784 6.688 6.696 150 HE2 LYS 20 2HE LYS 20 -0.982 6.315 8.328 151 HE3 LYS 20 1HE LYS 20 -1.786 5.216 7.210 152 HZ1 LYS 20 1HZ LYS 20 -0.513 4.023 8.851 153 HZ2 LYS 20 2HZ LYS 20 0.892 4.821 8.409 154 HZ3 LYS 20 3HZ LYS 20 0.155 3.753 7.334 155 H GLY 21 H GLY 21 -0.154 9.465 1.967 156 HA2 GLY 21 2HA GLY 21 0.748 11.403 0.841 157 HA3 GLY 21 1HA GLY 21 1.270 12.006 2.415 158 H PHE 22 H PHE 22 1.566 8.919 0.775 159 HA PHE 22 HA PHE 22 4.423 9.062 1.269 160 HB2 PHE 22 2HB PHE 22 2.505 6.870 1.500 161 HB3 PHE 22 1HB PHE 22 4.006 6.372 0.745 162 HD1 PHE 22 1HD PHE 22 6.140 6.695 1.934 163 HD2 PHE 22 2HD PHE 22 2.363 7.391 3.791 164 HE1 PHE 22 1HE PHE 22 7.195 6.598 4.050 165 HE2 PHE 22 2HE PHE 22 3.442 7.283 5.991 166 HZ PHE 22 HZ PHE 22 5.874 6.893 6.146 167 H ARG 23 H ARG 23 5.788 8.135 -0.190 168 HA ARG 23 HA ARG 23 5.521 8.993 -2.839 169 HB2 ARG 23 2HB ARG 23 7.343 6.870 -1.715 170 HB3 ARG 23 1HB ARG 23 7.606 7.811 -3.174 171 HG2 ARG 23 2HG ARG 23 7.905 9.815 -1.904 172 HG3 ARG 23 1HG ARG 23 7.447 8.986 -0.417 173 HD2 ARG 23 2HD ARG 23 9.846 9.215 -0.552 174 HD3 ARG 23 1HD ARG 23 9.381 7.519 -0.640 175 HE ARG 23 HE ARG 23 10.064 9.123 -3.004 176 HH11 ARG 23 1HH1 ARG 23 10.188 6.067 -1.241 177 HH12 ARG 23 2HH1 ARG 23 11.363 5.359 -2.234 178 HH21 ARG 23 1HH2 ARG 23 11.628 8.157 -4.422 179 HH22 ARG 23 2HH2 ARG 23 12.213 6.590 -4.144 180 H GLY 24 H GLY 24 4.696 6.069 -1.183 181 HA2 GLY 24 2HA GLY 24 2.812 5.181 -2.902 182 HA3 GLY 24 1HA GLY 24 4.312 4.491 -3.515 183 H GLY 25 H GLY 25 2.397 2.845 -2.701 184 HA2 GLY 25 2HA GLY 25 3.571 1.656 -0.347 185 HA3 GLY 25 1HA GLY 25 1.841 1.998 -0.338 186 H TRP 26 H TRP 26 2.926 -0.575 -0.182 187 HA TRP 26 HA TRP 26 1.571 -1.780 -2.395 188 HB2 TRP 26 2HB TRP 26 3.439 -2.923 -3.400 189 HB3 TRP 26 1HB TRP 26 3.834 -1.211 -3.376 190 HD1 TRP 26 HD TRP 26 5.240 -4.502 -2.508 191 HE1 TRP 26 1HE TRP 26 7.383 -4.267 -1.076 192 HE3 TRP 26 3HE TRP 26 4.888 0.415 -1.281 193 HZ2 TRP 26 2HZ TRP 26 8.705 -2.297 0.376 194 HZ3 TRP 26 3HZ TRP 26 6.575 1.416 0.147 195 HH2 TRP 26 HH TRP 26 8.498 0.063 0.963 196 H CYS 27 H CYS 27 1.159 -3.927 -1.981 197 HA CYS 27 HA CYS 27 1.870 -4.992 0.606 198 HB2 CYS 27 2HB CYS 27 0.342 -6.127 -1.739 199 HB3 CYS 27 1HB CYS 27 0.684 -7.037 -0.271 200 H ASP 28 H ASP 28 3.742 -5.893 0.856 201 HA ASP 28 HA ASP 28 5.329 -6.593 -1.467 202 HB2 ASP 28 2HB ASP 28 6.214 -5.462 0.687 203 HB3 ASP 28 1HB ASP 28 6.123 -7.064 1.408 204 H SER 29 H SER 29 6.722 -8.820 -0.779 205 HA SER 29 HA SER 29 4.950 -10.825 -1.624 206 HB2 SER 29 2HB SER 29 7.729 -11.107 -0.510 207 HB3 SER 29 1HB SER 29 6.906 -12.224 -1.607 208 HG SER 29 HG SER 29 7.518 -11.033 -3.199 209 H ARG 30 H ARG 30 5.798 -9.715 1.496 210 HA ARG 30 HA ARG 30 5.074 -12.233 2.777 211 HB2 ARG 30 2HB ARG 30 5.862 -9.628 4.112 212 HB3 ARG 30 1HB ARG 30 5.608 -11.159 4.929 213 HG2 ARG 30 2HG ARG 30 7.870 -11.213 4.795 214 HG3 ARG 30 1HG ARG 30 7.512 -11.920 3.218 215 HD2 ARG 30 2HD ARG 30 9.180 -10.225 2.909 216 HD3 ARG 30 1HD ARG 30 7.656 -9.612 2.255 217 HE ARG 30 HE ARG 30 7.894 -8.833 4.945 218 HH11 ARG 30 1HH1 ARG 30 9.162 -7.955 1.748 219 HH12 ARG 30 2HH1 ARG 30 9.743 -6.450 2.286 220 HH21 ARG 30 1HH2 ARG 30 8.656 -6.740 5.607 221 HH22 ARG 30 2HH2 ARG 30 9.422 -5.729 4.471 222 H LYS 31 H LYS 31 3.266 -10.114 1.333 223 HA LYS 31 HA LYS 31 1.093 -9.478 1.385 224 HB2 LYS 31 2HB LYS 31 0.859 -11.394 3.730 225 HB3 LYS 31 1HB LYS 31 -0.494 -10.652 2.904 226 HG2 LYS 31 2HG LYS 31 1.454 -12.626 1.709 227 HG3 LYS 31 1HG LYS 31 -0.195 -12.965 2.227 228 HD2 LYS 31 2HD LYS 31 -1.001 -11.319 0.530 229 HD3 LYS 31 1HD LYS 31 0.661 -11.147 -0.024 230 HE2 LYS 31 2HE LYS 31 -0.476 -12.703 -1.476 231 HE3 LYS 31 1HE LYS 31 0.716 -13.578 -0.520 232 HZ1 LYS 31 1HZ LYS 31 -2.213 -13.491 -0.008 233 HZ2 LYS 31 2HZ LYS 31 -1.111 -14.317 0.944 234 HZ3 LYS 31 3HZ LYS 31 -1.369 -14.790 -0.644 235 H VAL 32 H VAL 32 3.091 -8.079 2.841 236 HA VAL 32 HA VAL 32 1.510 -6.756 4.957 237 HB VAL 32 HB VAL 32 4.524 -6.775 4.594 238 HG11 VAL 32 1HG1 VAL 32 2.848 -5.666 6.838 239 HG12 VAL 32 2HG1 VAL 32 3.726 -4.725 5.634 240 HG13 VAL 32 3HG1 VAL 32 4.611 -5.711 6.797 241 HG21 VAL 32 1HG2 VAL 32 2.828 -8.227 6.619 242 HG22 VAL 32 2HG2 VAL 32 4.585 -8.139 6.649 243 HG23 VAL 32 3HG2 VAL 32 3.768 -8.963 5.320 244 H CYS 33 H CYS 33 0.971 -4.776 4.684 245 HA CYS 33 HA CYS 33 1.659 -3.386 2.292 246 HB2 CYS 33 2HB CYS 33 -0.254 -2.833 4.554 247 HB3 CYS 33 1HB CYS 33 0.276 -1.548 3.477 248 H ASN 34 H ASN 34 3.221 -2.066 2.032 249 HA ASN 34 HA ASN 34 4.436 -0.761 4.381 250 HB2 ASN 34 2HB ASN 34 5.864 -1.539 1.824 251 HB3 ASN 34 1HB ASN 34 6.583 -0.821 3.249 252 HD21 ASN 34 1HD2 ASN 34 5.422 -3.685 1.760 253 HD22 ASN 34 2HD2 ASN 34 6.040 -4.794 2.934 254 H CYS 35 H CYS 35 4.574 1.435 4.145 255 HA CYS 35 HA CYS 35 4.114 2.543 1.438 256 HB2 CYS 35 2HB CYS 35 3.607 3.928 4.094 257 HB3 CYS 35 1HB CYS 35 3.158 4.505 2.505 258 H ARG 36 H ARG 36 5.960 3.194 0.587 259 HA ARG 36 HA ARG 36 7.858 4.789 2.053 260 HB2 ARG 36 2HB ARG 36 8.707 2.038 1.136 261 HB3 ARG 36 1HB ARG 36 9.733 3.321 1.740 262 HG2 ARG 36 2HG ARG 36 8.834 3.072 3.946 263 HG3 ARG 36 1HG ARG 36 7.611 1.947 3.363 264 HD2 ARG 36 2HD ARG 36 9.521 0.444 2.661 265 HD3 ARG 36 1HD ARG 36 10.581 1.524 3.573 266 HE ARG 36 HE ARG 36 8.734 1.034 5.349 267 HH11 ARG 36 1HH1 ARG 36 10.615 -1.209 3.351 268 HH12 ARG 36 2HH1 ARG 36 10.358 -2.543 4.395 269 HH21 ARG 36 1HH2 ARG 36 8.395 -0.836 6.760 270 HH22 ARG 36 2HH2 ARG 36 9.110 -2.311 6.338 271 H ARG 37 H ARG 37 7.385 2.565 -0.684 272 HA ARG 37 HA ARG 37 9.301 3.985 -2.304 273 HB2 ARG 37 2HB ARG 37 7.900 1.349 -2.697 274 HB3 ARG 37 1HB ARG 37 9.170 1.989 -3.744 275 HG2 ARG 37 2HG ARG 37 10.624 1.982 -1.686 276 HG3 ARG 37 1HG ARG 37 9.284 1.123 -0.910 277 HD2 ARG 37 2HD ARG 37 10.893 -0.508 -1.711 278 HD3 ARG 37 1HD ARG 37 9.409 -0.613 -2.653 279 HE ARG 37 HE ARG 37 11.337 1.109 -3.849 280 HH11 ARG 37 1HH1 ARG 37 10.279 -2.244 -3.594 281 HH12 ARG 37 2HH1 ARG 37 11.176 -2.789 -4.927 282 HH21 ARG 37 1HH2 ARG 37 12.588 0.339 -5.741 283 HH22 ARG 37 2HH2 ARG 37 12.455 -1.304 -6.187 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 -8.982 -3.201 7.180 2 H2 GLY 1 2HT GLY 1 -9.853 -2.232 6.130 3 H3 GLY 1 3HT GLY 1 -9.806 -1.861 7.792 4 HA2 GLY 1 1HA GLY 1 -8.352 -0.403 6.521 5 HA3 GLY 1 2HA GLY 1 -7.453 -1.428 7.643 6 H ILE 2 H ILE 2 -5.552 -1.269 6.351 7 HA ILE 2 HA ILE 2 -5.587 -2.034 3.661 8 HB ILE 2 HB ILE 2 -3.074 -2.211 4.031 9 HG12 ILE 2 2HG1 ILE 2 -3.887 -1.140 6.765 10 HG13 ILE 2 1HG1 ILE 2 -2.980 -2.600 6.418 11 HG21 ILE 2 1HG2 ILE 2 -4.096 -0.324 2.992 12 HG22 ILE 2 2HG2 ILE 2 -2.834 0.237 4.089 13 HG23 ILE 2 3HG2 ILE 2 -4.529 0.359 4.555 14 HD11 ILE 2 1HD1 ILE 2 -1.107 -1.212 5.622 15 HD12 ILE 2 2HD1 ILE 2 -1.543 -0.871 7.291 16 HD13 ILE 2 3HD1 ILE 2 -2.044 0.230 6.009 17 H THR 3 H THR 3 -5.504 -3.908 2.756 18 HA THR 3 HA THR 3 -4.709 -6.313 4.202 19 HB THR 3 HB THR 3 -7.196 -6.000 2.521 20 HG1 THR 3 1HG THR 3 -6.782 -5.890 5.306 21 HG21 THR 3 1HG2 THR 3 -6.264 -8.329 4.226 22 HG22 THR 3 2HG2 THR 3 -6.252 -8.265 2.466 23 HG23 THR 3 3HG2 THR 3 -7.786 -8.270 3.336 24 H CYS 4 H CYS 4 -3.833 -7.832 2.652 25 HA CYS 4 HA CYS 4 -3.551 -6.692 -0.017 26 HB2 CYS 4 2HB CYS 4 -1.548 -8.305 1.525 27 HB3 CYS 4 1HB CYS 4 -1.341 -7.652 -0.100 28 H ASP 5 H ASP 5 -4.867 -7.822 -1.242 29 HA ASP 5 HA ASP 5 -4.886 -10.732 -0.975 30 HB2 ASP 5 2HB ASP 5 -7.085 -9.587 -1.261 31 HB3 ASP 5 1HB ASP 5 -6.489 -8.900 -2.772 32 H LEU 6 H LEU 6 -3.947 -8.036 -2.956 33 HA LEU 6 HA LEU 6 -2.559 -9.810 -4.782 34 HB2 LEU 6 2HB LEU 6 -3.354 -6.912 -5.003 35 HB3 LEU 6 1HB LEU 6 -2.451 -7.797 -6.218 36 HG LEU 6 HG LEU 6 -5.292 -8.354 -5.368 37 HD11 LEU 6 1HD1 LEU 6 -5.098 -6.270 -6.601 38 HD12 LEU 6 2HD1 LEU 6 -5.884 -7.503 -7.585 39 HD13 LEU 6 3HD1 LEU 6 -4.195 -7.091 -7.874 40 HD21 LEU 6 1HD2 LEU 6 -4.168 -10.387 -6.094 41 HD22 LEU 6 2HD2 LEU 6 -3.607 -9.575 -7.554 42 HD23 LEU 6 3HD2 LEU 6 -5.328 -9.864 -7.315 43 H ILE 7 H ILE 7 -0.492 -9.152 -5.309 44 HA ILE 7 HA ILE 7 0.978 -7.776 -3.171 45 HB ILE 7 HB ILE 7 1.933 -9.855 -5.175 46 HG12 ILE 7 2HG1 ILE 7 1.583 -9.989 -2.177 47 HG13 ILE 7 1HG1 ILE 7 0.533 -10.741 -3.359 48 HG21 ILE 7 1HG2 ILE 7 3.489 -8.491 -2.974 49 HG22 ILE 7 2HG2 ILE 7 3.703 -8.232 -4.703 50 HG23 ILE 7 3HG2 ILE 7 4.081 -9.804 -3.994 51 HD11 ILE 7 1HD1 ILE 7 2.072 -12.344 -2.331 52 HD12 ILE 7 2HD1 ILE 7 3.439 -11.413 -2.959 53 HD13 ILE 7 3HD1 ILE 7 2.325 -12.205 -4.068 54 H GLY 8 H GLY 8 1.730 -5.865 -3.671 55 HA2 GLY 8 2HA GLY 8 2.598 -4.079 -4.863 56 HA3 GLY 8 1HA GLY 8 2.799 -5.165 -6.228 57 H ASN 9 H ASN 9 0.074 -5.903 -6.404 58 HA ASN 9 HA ASN 9 -0.861 -3.636 -8.020 59 HB2 ASN 9 2HB ASN 9 -1.702 -6.532 -7.930 60 HB3 ASN 9 1HB ASN 9 -2.434 -5.334 -8.982 61 HD21 ASN 9 1HD2 ASN 9 0.348 -7.362 -8.448 62 HD22 ASN 9 2HD2 ASN 9 1.086 -7.026 -9.961 63 H GLU 10 H GLU 10 -1.143 -4.292 -5.075 64 HA GLU 10 HA GLU 10 -3.972 -4.491 -4.750 65 HB2 GLU 10 2HB GLU 10 -2.509 -5.782 -3.353 66 HB3 GLU 10 1HB GLU 10 -1.686 -4.355 -2.783 67 HG2 GLU 10 2HG GLU 10 -3.174 -5.167 -1.159 68 HG3 GLU 10 1HG GLU 10 -3.739 -3.608 -1.791 69 H ARG 11 H ARG 11 -4.271 -2.610 -5.875 70 HA ARG 11 HA ARG 11 -3.396 -0.021 -5.324 71 HB2 ARG 11 2HB ARG 11 -4.563 -0.665 -7.382 72 HB3 ARG 11 1HB ARG 11 -6.050 -0.847 -6.469 73 HG2 ARG 11 2HG ARG 11 -6.086 1.506 -5.962 74 HG3 ARG 11 1HG ARG 11 -4.537 1.733 -6.772 75 HD2 ARG 11 2HD ARG 11 -7.064 0.750 -8.080 76 HD3 ARG 11 1HD ARG 11 -6.432 2.394 -8.174 77 HE ARG 11 HE ARG 11 -4.415 0.712 -8.992 78 HH11 ARG 11 1HH1 ARG 11 -7.646 1.554 -10.076 79 HH12 ARG 11 2HH1 ARG 11 -7.354 1.323 -11.735 80 HH21 ARG 11 1HH2 ARG 11 -3.925 0.430 -11.259 81 HH22 ARG 11 2HH2 ARG 11 -5.114 0.674 -12.440 82 H LEU 12 H LEU 12 -6.015 -1.828 -3.873 83 HA LEU 12 HA LEU 12 -7.269 0.294 -2.497 84 HB2 LEU 12 2HB LEU 12 -7.077 -2.618 -1.763 85 HB3 LEU 12 1HB LEU 12 -8.173 -1.475 -1.013 86 HG LEU 12 HG LEU 12 -8.241 -2.342 -3.906 87 HD11 LEU 12 1HD1 LEU 12 -10.298 -3.485 -3.281 88 HD12 LEU 12 2HD1 LEU 12 -10.049 -3.008 -1.603 89 HD13 LEU 12 3HD1 LEU 12 -8.915 -4.112 -2.384 90 HD21 LEU 12 1HD2 LEU 12 -10.384 -1.153 -3.971 91 HD22 LEU 12 2HD2 LEU 12 -9.038 -0.068 -3.652 92 HD23 LEU 12 3HD2 LEU 12 -10.102 -0.564 -2.332 93 H CYS 13 H CYS 13 -4.366 -1.446 -1.917 94 HA CYS 13 HA CYS 13 -4.121 -0.428 0.766 95 HB2 CYS 13 2HB CYS 13 -3.289 -2.637 0.425 96 HB3 CYS 13 1HB CYS 13 -2.354 -2.133 -0.983 97 H VAL 14 H VAL 14 -2.686 0.017 -2.426 98 HA VAL 14 HA VAL 14 -0.633 1.814 -1.856 99 HB VAL 14 HB VAL 14 -2.364 1.838 -4.328 100 HG11 VAL 14 1HG1 VAL 14 -0.345 2.687 -5.474 101 HG12 VAL 14 2HG1 VAL 14 0.480 2.753 -3.916 102 HG13 VAL 14 3HG1 VAL 14 -0.920 3.778 -4.212 103 HG21 VAL 14 1HG2 VAL 14 -1.544 -0.422 -3.901 104 HG22 VAL 14 2HG2 VAL 14 0.105 0.187 -3.772 105 HG23 VAL 14 3HG2 VAL 14 -0.751 0.271 -5.315 106 H VAL 15 H VAL 15 -4.049 2.457 -2.511 107 HA VAL 15 HA VAL 15 -3.919 5.243 -2.629 108 HB VAL 15 HB VAL 15 -5.874 3.889 -3.354 109 HG11 VAL 15 1HG1 VAL 15 -6.084 2.349 -1.545 110 HG12 VAL 15 2HG1 VAL 15 -7.596 3.248 -1.720 111 HG13 VAL 15 3HG1 VAL 15 -6.468 3.657 -0.428 112 HG21 VAL 15 1HG2 VAL 15 -6.120 6.292 -3.114 113 HG22 VAL 15 2HG2 VAL 15 -6.543 6.096 -1.413 114 HG23 VAL 15 3HG2 VAL 15 -7.616 5.473 -2.667 115 H HIS 16 H HIS 16 -3.890 3.123 0.128 116 HA HIS 16 HA HIS 16 -4.599 5.080 2.079 117 HB2 HIS 16 2HB HIS 16 -4.886 2.777 2.680 118 HB3 HIS 16 1HB HIS 16 -3.235 2.386 2.239 119 HD1 HIS 16 1HD HIS 16 -5.069 4.397 4.931 120 HD2 HIS 16 2HD HIS 16 -1.513 2.363 4.272 121 HE1 HIS 16 1HE HIS 16 -3.819 4.395 7.150 122 H CYS 17 H CYS 17 -1.614 3.841 0.774 123 HA CYS 17 HA CYS 17 0.196 5.338 2.371 124 HB2 CYS 17 2HB CYS 17 0.548 4.412 -0.478 125 HB3 CYS 17 1HB CYS 17 1.818 4.742 0.693 126 H LEU 18 H LEU 18 -1.395 5.967 -0.713 127 HA LEU 18 HA LEU 18 -0.135 8.468 -1.184 128 HB2 LEU 18 2HB LEU 18 -2.784 7.461 -2.217 129 HB3 LEU 18 1HB LEU 18 -1.853 8.783 -2.888 130 HG LEU 18 HG LEU 18 -1.057 5.872 -2.872 131 HD11 LEU 18 1HD1 LEU 18 -2.835 6.355 -4.443 132 HD12 LEU 18 2HD1 LEU 18 -1.325 6.003 -5.282 133 HD13 LEU 18 3HD1 LEU 18 -1.883 7.670 -5.135 134 HD21 LEU 18 1HD2 LEU 18 0.376 8.272 -4.014 135 HD22 LEU 18 2HD2 LEU 18 0.823 6.593 -4.302 136 HD23 LEU 18 3HD2 LEU 18 0.925 7.263 -2.674 137 H ALA 19 H ALA 19 -3.041 7.512 0.527 138 HA ALA 19 HA ALA 19 -4.089 10.096 0.960 139 HB1 ALA 19 1HB ALA 19 -5.457 9.036 2.693 140 HB2 ALA 19 2HB ALA 19 -4.427 7.607 2.635 141 HB3 ALA 19 3HB ALA 19 -5.408 8.037 1.238 142 H LYS 20 H LYS 20 -1.895 8.056 2.815 143 HA LYS 20 HA LYS 20 -1.626 9.874 4.995 144 HB2 LYS 20 2HB LYS 20 0.296 7.716 4.109 145 HB3 LYS 20 1HB LYS 20 0.312 8.527 5.668 146 HG2 LYS 20 2HG LYS 20 -1.911 7.564 6.155 147 HG3 LYS 20 1HG LYS 20 -1.863 6.730 4.606 148 HD2 LYS 20 2HD LYS 20 -1.202 5.151 6.240 149 HD3 LYS 20 1HD LYS 20 0.265 5.628 5.391 150 HE2 LYS 20 2HE LYS 20 0.731 5.532 7.754 151 HE3 LYS 20 1HE LYS 20 0.740 7.214 7.230 152 HZ1 LYS 20 1HZ LYS 20 -0.423 6.933 9.320 153 HZ2 LYS 20 2HZ LYS 20 -1.524 5.876 8.605 154 HZ3 LYS 20 3HZ LYS 20 -1.477 7.484 8.135 155 H GLY 21 H GLY 21 -0.099 9.544 1.922 156 HA2 GLY 21 2HA GLY 21 0.739 11.594 0.902 157 HA3 GLY 21 1HA GLY 21 1.364 12.055 2.480 158 H PHE 22 H PHE 22 1.609 8.856 1.200 159 HA PHE 22 HA PHE 22 4.470 8.983 1.389 160 HB2 PHE 22 2HB PHE 22 2.452 6.864 1.225 161 HB3 PHE 22 1HB PHE 22 4.006 6.423 0.556 162 HD1 PHE 22 1HD PHE 22 6.029 6.838 1.976 163 HD2 PHE 22 2HD PHE 22 2.064 6.802 3.492 164 HE1 PHE 22 1HE PHE 22 6.908 6.407 4.145 165 HE2 PHE 22 2HE PHE 22 2.939 6.358 5.748 166 HZ PHE 22 HZ PHE 22 5.374 6.161 6.097 167 H ARG 23 H ARG 23 5.833 8.071 -0.225 168 HA ARG 23 HA ARG 23 5.435 9.242 -2.791 169 HB2 ARG 23 2HB ARG 23 7.473 7.127 -2.128 170 HB3 ARG 23 1HB ARG 23 7.595 8.427 -3.300 171 HG2 ARG 23 2HG ARG 23 7.724 10.050 -1.487 172 HG3 ARG 23 1HG ARG 23 7.610 8.733 -0.315 173 HD2 ARG 23 2HD ARG 23 9.896 9.193 -0.475 174 HD3 ARG 23 1HD ARG 23 9.658 7.763 -1.472 175 HE ARG 23 HE ARG 23 9.853 10.488 -2.526 176 HH11 ARG 23 1HH1 ARG 23 10.388 7.007 -3.002 177 HH12 ARG 23 2HH1 ARG 23 11.546 7.237 -4.216 178 HH21 ARG 23 1HH2 ARG 23 11.435 10.754 -4.292 179 HH22 ARG 23 2HH2 ARG 23 12.088 9.350 -4.998 180 H GLY 24 H GLY 24 4.711 6.246 -1.285 181 HA2 GLY 24 2HA GLY 24 3.003 5.294 -3.152 182 HA3 GLY 24 1HA GLY 24 4.582 4.706 -3.661 183 H GLY 25 H GLY 25 2.672 2.951 -3.059 184 HA2 GLY 25 2HA GLY 25 3.643 1.740 -0.614 185 HA3 GLY 25 1HA GLY 25 1.922 2.056 -0.754 186 H TRP 26 H TRP 26 3.163 -0.489 -0.508 187 HA TRP 26 HA TRP 26 1.929 -1.813 -2.707 188 HB2 TRP 26 2HB TRP 26 3.861 -2.888 -3.662 189 HB3 TRP 26 1HB TRP 26 4.159 -1.161 -3.679 190 HD1 TRP 26 HD TRP 26 5.914 -4.258 -3.028 191 HE1 TRP 26 1HE TRP 26 8.037 -3.890 -1.579 192 HE3 TRP 26 3HE TRP 26 4.953 0.409 -1.255 193 HZ2 TRP 26 2HZ TRP 26 9.122 -1.926 0.066 194 HZ3 TRP 26 3HZ TRP 26 6.538 1.476 0.255 195 HH2 TRP 26 HH TRP 26 8.613 0.332 0.903 196 H CYS 27 H CYS 27 1.385 -3.812 -2.124 197 HA CYS 27 HA CYS 27 2.158 -4.807 0.465 198 HB2 CYS 27 2HB CYS 27 0.505 -5.990 -1.761 199 HB3 CYS 27 1HB CYS 27 0.749 -6.732 -0.181 200 H ASP 28 H ASP 28 3.888 -6.035 0.715 201 HA ASP 28 HA ASP 28 5.224 -6.847 -1.764 202 HB2 ASP 28 2HB ASP 28 7.262 -7.074 -0.556 203 HB3 ASP 28 1HB ASP 28 6.490 -5.646 0.107 204 H SER 29 H SER 29 6.668 -9.085 -1.045 205 HA SER 29 HA SER 29 4.941 -11.172 -1.578 206 HB2 SER 29 2HB SER 29 7.588 -11.432 -0.185 207 HB3 SER 29 1HB SER 29 6.858 -12.529 -1.351 208 HG SER 29 HG SER 29 8.547 -11.087 -2.108 209 H ARG 30 H ARG 30 5.742 -9.710 1.435 210 HA ARG 30 HA ARG 30 5.064 -11.847 3.214 211 HB2 ARG 30 2HB ARG 30 5.325 -8.882 3.565 212 HB3 ARG 30 1HB ARG 30 4.985 -9.987 4.881 213 HG2 ARG 30 2HG ARG 30 7.096 -10.905 4.822 214 HG3 ARG 30 1HG ARG 30 7.389 -10.376 3.161 215 HD2 ARG 30 2HD ARG 30 8.631 -9.061 4.855 216 HD3 ARG 30 1HD ARG 30 7.560 -8.093 3.851 217 HE ARG 30 HE ARG 30 6.898 -8.957 6.581 218 HH11 ARG 30 1HH1 ARG 30 6.565 -6.562 3.990 219 HH12 ARG 30 2HH1 ARG 30 6.249 -5.251 5.018 220 HH21 ARG 30 1HH2 ARG 30 6.291 -7.197 7.998 221 HH22 ARG 30 2HH2 ARG 30 6.056 -5.628 7.384 222 H LYS 31 H LYS 31 3.140 -9.912 1.215 223 HA LYS 31 HA LYS 31 0.920 -9.454 1.061 224 HB2 LYS 31 2HB LYS 31 0.698 -11.426 3.360 225 HB3 LYS 31 1HB LYS 31 -0.692 -10.696 2.579 226 HG2 LYS 31 2HG LYS 31 1.334 -12.379 1.130 227 HG3 LYS 31 1HG LYS 31 -0.127 -13.035 1.868 228 HD2 LYS 31 2HD LYS 31 -1.458 -11.467 0.443 229 HD3 LYS 31 1HD LYS 31 0.043 -11.004 -0.362 230 HE2 LYS 31 2HE LYS 31 0.389 -13.240 -1.152 231 HE3 LYS 31 1HE LYS 31 -0.962 -13.839 -0.195 232 HZ1 LYS 31 1HZ LYS 31 -1.598 -13.612 -2.475 233 HZ2 LYS 31 2HZ LYS 31 -1.162 -12.012 -2.554 234 HZ3 LYS 31 3HZ LYS 31 -2.454 -12.501 -1.561 235 H VAL 32 H VAL 32 2.798 -8.057 2.816 236 HA VAL 32 HA VAL 32 0.923 -6.759 4.667 237 HB VAL 32 HB VAL 32 3.963 -6.789 4.732 238 HG11 VAL 32 1HG1 VAL 32 3.047 -4.704 5.628 239 HG12 VAL 32 2HG1 VAL 32 3.773 -5.684 6.902 240 HG13 VAL 32 3HG1 VAL 32 2.019 -5.625 6.729 241 HG21 VAL 32 1HG2 VAL 32 3.037 -8.950 5.372 242 HG22 VAL 32 2HG2 VAL 32 1.985 -8.165 6.548 243 HG23 VAL 32 3HG2 VAL 32 3.735 -8.133 6.770 244 H CYS 33 H CYS 33 0.570 -4.701 4.512 245 HA CYS 33 HA CYS 33 1.200 -3.310 2.128 246 HB2 CYS 33 2HB CYS 33 -0.434 -2.714 4.587 247 HB3 CYS 33 1HB CYS 33 0.058 -1.411 3.503 248 H ASN 34 H ASN 34 2.984 -2.229 1.782 249 HA ASN 34 HA ASN 34 4.365 -1.013 4.082 250 HB2 ASN 34 2HB ASN 34 5.595 -1.787 1.427 251 HB3 ASN 34 1HB ASN 34 6.433 -1.184 2.841 252 HD21 ASN 34 1HD2 ASN 34 5.051 -3.837 1.280 253 HD22 ASN 34 2HD2 ASN 34 5.591 -5.095 2.333 254 H CYS 35 H CYS 35 4.288 1.151 3.970 255 HA CYS 35 HA CYS 35 4.132 2.415 1.298 256 HB2 CYS 35 2HB CYS 35 3.368 3.623 3.974 257 HB3 CYS 35 1HB CYS 35 3.043 4.286 2.384 258 H ARG 36 H ARG 36 5.932 3.484 0.698 259 HA ARG 36 HA ARG 36 7.590 4.955 2.403 260 HB2 ARG 36 2HB ARG 36 8.108 2.799 3.493 261 HB3 ARG 36 1HB ARG 36 8.653 2.161 1.956 262 HG2 ARG 36 2HG ARG 36 10.464 3.771 1.898 263 HG3 ARG 36 1HG ARG 36 9.919 4.460 3.430 264 HD2 ARG 36 2HD ARG 36 10.820 1.609 3.015 265 HD3 ARG 36 1HD ARG 36 11.811 2.890 3.710 266 HE ARG 36 HE ARG 36 9.652 2.924 5.289 267 HH11 ARG 36 1HH1 ARG 36 11.743 0.222 4.265 268 HH12 ARG 36 2HH1 ARG 36 11.490 -0.646 5.714 269 HH21 ARG 36 1HH2 ARG 36 9.374 1.696 7.250 270 HH22 ARG 36 2HH2 ARG 36 10.157 0.187 7.409 271 H ARG 37 H ARG 37 7.726 2.681 -0.286 272 HA ARG 37 HA ARG 37 10.039 3.741 -1.380 273 HB2 ARG 37 2HB ARG 37 9.767 2.155 -3.170 274 HB3 ARG 37 1HB ARG 37 9.191 1.477 -1.640 275 HG2 ARG 37 2HG ARG 37 7.009 1.602 -2.225 276 HG3 ARG 37 1HG ARG 37 7.311 2.592 -3.664 277 HD2 ARG 37 2HD ARG 37 8.151 -0.276 -3.187 278 HD3 ARG 37 1HD ARG 37 6.880 0.258 -4.280 279 HE ARG 37 HE ARG 37 9.061 1.565 -5.168 280 HH11 ARG 37 1HH1 ARG 37 8.411 -1.864 -4.502 281 HH12 ARG 37 2HH1 ARG 37 9.461 -2.440 -5.701 282 HH21 ARG 37 1HH2 ARG 37 10.563 0.741 -6.824 283 HH22 ARG 37 2HH2 ARG 37 10.687 -0.954 -7.027 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 -9.674 -1.418 5.038 2 H2 GLY 1 2HT GLY 1 -10.123 -1.781 6.620 3 H3 GLY 1 3HT GLY 1 -9.692 -3.022 5.549 4 HA2 GLY 1 1HA GLY 1 -7.868 -0.909 6.509 5 HA3 GLY 1 2HA GLY 1 -7.911 -2.572 7.090 6 H ILE 2 H ILE 2 -5.601 -1.557 6.026 7 HA ILE 2 HA ILE 2 -5.426 -2.223 3.265 8 HB ILE 2 HB ILE 2 -2.921 -2.064 3.626 9 HG12 ILE 2 2HG1 ILE 2 -3.791 -1.144 6.380 10 HG13 ILE 2 1HG1 ILE 2 -2.860 -2.592 6.031 11 HG21 ILE 2 1HG2 ILE 2 -4.604 0.299 4.396 12 HG22 ILE 2 2HG2 ILE 2 -4.246 -0.237 2.758 13 HG23 ILE 2 3HG2 ILE 2 -2.950 0.366 3.793 14 HD11 ILE 2 1HD1 ILE 2 -1.014 -1.182 5.227 15 HD12 ILE 2 2HD1 ILE 2 -1.441 -0.832 6.900 16 HD13 ILE 2 3HD1 ILE 2 -1.965 0.252 5.611 17 H THR 3 H THR 3 -5.306 -4.076 2.421 18 HA THR 3 HA THR 3 -4.326 -6.396 3.905 19 HB THR 3 HB THR 3 -6.859 -6.162 2.288 20 HG1 THR 3 1HG THR 3 -7.428 -5.247 4.138 21 HG21 THR 3 1HG2 THR 3 -5.798 -8.452 3.963 22 HG22 THR 3 2HG2 THR 3 -5.910 -8.418 2.204 23 HG23 THR 3 3HG2 THR 3 -7.379 -8.423 3.182 24 H CYS 4 H CYS 4 -3.607 -8.063 2.319 25 HA CYS 4 HA CYS 4 -3.209 -6.853 -0.286 26 HB2 CYS 4 2HB CYS 4 -1.454 -8.827 1.152 27 HB3 CYS 4 1HB CYS 4 -1.188 -8.177 -0.464 28 H ASP 5 H ASP 5 -4.935 -7.597 -1.293 29 HA ASP 5 HA ASP 5 -5.434 -10.478 -1.368 30 HB2 ASP 5 2HB ASP 5 -7.382 -8.902 -1.317 31 HB3 ASP 5 1HB ASP 5 -6.818 -8.207 -2.835 32 H LEU 6 H LEU 6 -4.270 -7.757 -3.146 33 HA LEU 6 HA LEU 6 -3.267 -9.512 -5.246 34 HB2 LEU 6 2HB LEU 6 -3.756 -6.535 -5.303 35 HB3 LEU 6 1HB LEU 6 -3.246 -7.542 -6.640 36 HG LEU 6 HG LEU 6 -5.938 -7.667 -5.289 37 HD11 LEU 6 1HD1 LEU 6 -5.157 -6.574 -7.984 38 HD12 LEU 6 2HD1 LEU 6 -5.592 -5.618 -6.571 39 HD13 LEU 6 3HD1 LEU 6 -6.792 -6.662 -7.324 40 HD21 LEU 6 1HD2 LEU 6 -4.875 -9.084 -7.727 41 HD22 LEU 6 2HD2 LEU 6 -6.544 -9.134 -7.157 42 HD23 LEU 6 3HD2 LEU 6 -5.255 -9.825 -6.174 43 H ILE 7 H ILE 7 -1.183 -8.841 -5.968 44 HA ILE 7 HA ILE 7 0.430 -7.436 -3.939 45 HB ILE 7 HB ILE 7 1.370 -9.463 -6.004 46 HG12 ILE 7 2HG1 ILE 7 1.057 -9.760 -3.006 47 HG13 ILE 7 1HG1 ILE 7 0.016 -10.491 -4.220 48 HG21 ILE 7 1HG2 ILE 7 3.090 -7.807 -5.471 49 HG22 ILE 7 2HG2 ILE 7 3.520 -9.386 -4.815 50 HG23 ILE 7 3HG2 ILE 7 2.886 -8.134 -3.748 51 HD11 ILE 7 1HD1 ILE 7 1.600 -12.096 -3.326 52 HD12 ILE 7 2HD1 ILE 7 2.935 -11.050 -3.825 53 HD13 ILE 7 3HD1 ILE 7 1.900 -11.798 -5.043 54 H GLY 8 H GLY 8 1.096 -5.500 -4.568 55 HA2 GLY 8 2HA GLY 8 1.889 -3.779 -5.902 56 HA3 GLY 8 1HA GLY 8 2.004 -4.916 -7.234 57 H ASN 9 H ASN 9 -0.691 -5.679 -7.208 58 HA ASN 9 HA ASN 9 -1.845 -3.460 -8.721 59 HB2 ASN 9 2HB ASN 9 -2.881 -6.279 -8.285 60 HB3 ASN 9 1HB ASN 9 -3.545 -5.118 -9.419 61 HD21 ASN 9 1HD2 ASN 9 -2.570 -7.756 -9.961 62 HD22 ASN 9 2HD2 ASN 9 -1.260 -7.576 -11.059 63 H GLU 10 H GLU 10 -1.658 -4.215 -5.705 64 HA GLU 10 HA GLU 10 -4.347 -4.213 -4.778 65 HB2 GLU 10 2HB GLU 10 -2.517 -5.525 -3.764 66 HB3 GLU 10 1HB GLU 10 -1.702 -4.036 -3.339 67 HG2 GLU 10 2HG GLU 10 -2.832 -5.092 -1.498 68 HG3 GLU 10 1HG GLU 10 -3.414 -3.457 -1.839 69 H ARG 11 H ARG 11 -4.663 -2.203 -5.960 70 HA ARG 11 HA ARG 11 -3.386 0.238 -5.298 71 HB2 ARG 11 2HB ARG 11 -4.689 -0.345 -7.413 72 HB3 ARG 11 1HB ARG 11 -6.125 0.048 -6.479 73 HG2 ARG 11 2HG ARG 11 -4.389 2.181 -6.065 74 HG3 ARG 11 1HG ARG 11 -4.271 1.809 -7.783 75 HD2 ARG 11 2HD ARG 11 -6.031 3.391 -7.517 76 HD3 ARG 11 1HD ARG 11 -6.765 1.823 -7.852 77 HE ARG 11 HE ARG 11 -6.419 2.560 -5.088 78 HH11 ARG 11 1HH1 ARG 11 -8.611 2.176 -7.845 79 HH12 ARG 11 2HH1 ARG 11 -10.044 2.381 -6.955 80 HH21 ARG 11 1HH2 ARG 11 -8.502 2.851 -3.808 81 HH22 ARG 11 2HH2 ARG 11 -9.969 2.752 -4.640 82 H LEU 12 H LEU 12 -6.046 -1.467 -3.903 83 HA LEU 12 HA LEU 12 -7.190 0.691 -2.472 84 HB2 LEU 12 2HB LEU 12 -7.176 -2.264 -1.860 85 HB3 LEU 12 1HB LEU 12 -8.180 -1.081 -1.047 86 HG LEU 12 HG LEU 12 -8.349 -1.777 -3.981 87 HD11 LEU 12 1HD1 LEU 12 -10.458 -2.843 -3.371 88 HD12 LEU 12 2HD1 LEU 12 -10.111 -2.531 -1.667 89 HD13 LEU 12 3HD1 LEU 12 -9.071 -3.607 -2.598 90 HD21 LEU 12 1HD2 LEU 12 -9.036 0.516 -3.551 91 HD22 LEU 12 2HD2 LEU 12 -10.081 -0.033 -2.242 92 HD23 LEU 12 3HD2 LEU 12 -10.441 -0.490 -3.907 93 H CYS 13 H CYS 13 -4.353 -1.216 -2.022 94 HA CYS 13 HA CYS 13 -4.011 -0.313 0.691 95 HB2 CYS 13 2HB CYS 13 -3.224 -2.550 0.174 96 HB3 CYS 13 1HB CYS 13 -2.255 -1.931 -1.166 97 H VAL 14 H VAL 14 -2.578 0.171 -2.500 98 HA VAL 14 HA VAL 14 -0.504 1.926 -1.962 99 HB VAL 14 HB VAL 14 -2.334 2.233 -4.328 100 HG11 VAL 14 1HG1 VAL 14 -0.698 3.997 -4.145 101 HG12 VAL 14 2HG1 VAL 14 -0.308 2.965 -5.520 102 HG13 VAL 14 3HG1 VAL 14 0.606 2.817 -4.019 103 HG21 VAL 14 1HG2 VAL 14 -0.941 0.619 -5.520 104 HG22 VAL 14 2HG2 VAL 14 -1.768 -0.097 -4.139 105 HG23 VAL 14 3HG2 VAL 14 -0.045 0.292 -4.030 106 H VAL 15 H VAL 15 -3.912 2.702 -2.549 107 HA VAL 15 HA VAL 15 -3.680 5.474 -2.546 108 HB VAL 15 HB VAL 15 -5.691 4.282 -3.339 109 HG11 VAL 15 1HG1 VAL 15 -5.954 2.628 -1.624 110 HG12 VAL 15 2HG1 VAL 15 -7.434 3.579 -1.780 111 HG13 VAL 15 3HG1 VAL 15 -6.327 3.878 -0.437 112 HG21 VAL 15 1HG2 VAL 15 -5.859 6.659 -2.955 113 HG22 VAL 15 2HG2 VAL 15 -6.204 6.388 -1.249 114 HG23 VAL 15 3HG2 VAL 15 -7.373 5.887 -2.468 115 H HIS 16 H HIS 16 -3.799 3.272 0.150 116 HA HIS 16 HA HIS 16 -4.497 5.168 2.144 117 HB2 HIS 16 2HB HIS 16 -4.726 2.826 2.654 118 HB3 HIS 16 1HB HIS 16 -3.045 2.517 2.259 119 HD1 HIS 16 1HD HIS 16 -5.002 4.499 4.899 120 HD2 HIS 16 2HD HIS 16 -1.465 2.398 4.371 121 HE1 HIS 16 1HE HIS 16 -3.849 4.505 7.144 122 H CYS 17 H CYS 17 -1.483 4.026 0.839 123 HA CYS 17 HA CYS 17 0.172 5.612 2.544 124 HB2 CYS 17 2HB CYS 17 0.771 4.353 -0.125 125 HB3 CYS 17 1HB CYS 17 1.953 4.906 1.061 126 H LEU 18 H LEU 18 -1.239 6.053 -0.656 127 HA LEU 18 HA LEU 18 0.127 8.468 -1.258 128 HB2 LEU 18 2HB LEU 18 -2.580 7.537 -2.225 129 HB3 LEU 18 1HB LEU 18 -1.627 8.815 -2.943 130 HG LEU 18 HG LEU 18 -0.894 5.886 -2.882 131 HD11 LEU 18 1HD1 LEU 18 -2.743 6.357 -4.379 132 HD12 LEU 18 2HD1 LEU 18 -1.283 5.976 -5.293 133 HD13 LEU 18 3HD1 LEU 18 -1.817 7.649 -5.139 134 HD21 LEU 18 1HD2 LEU 18 1.097 7.287 -2.827 135 HD22 LEU 18 2HD2 LEU 18 0.488 8.227 -4.187 136 HD23 LEU 18 3HD2 LEU 18 0.919 6.531 -4.411 137 H ALA 19 H ALA 19 -2.805 7.724 0.506 138 HA ALA 19 HA ALA 19 -3.670 10.422 0.775 139 HB1 ALA 19 1HB ALA 19 -4.436 7.983 2.379 140 HB2 ALA 19 2HB ALA 19 -5.221 8.522 0.896 141 HB3 ALA 19 3HB ALA 19 -5.302 9.519 2.348 142 H LYS 20 H LYS 20 -1.738 8.225 2.710 143 HA LYS 20 HA LYS 20 -1.577 9.946 4.977 144 HB2 LYS 20 2HB LYS 20 0.195 7.654 4.150 145 HB3 LYS 20 1HB LYS 20 0.340 8.506 5.677 146 HG2 LYS 20 2HG LYS 20 -1.962 7.812 6.240 147 HG3 LYS 20 1HG LYS 20 -2.025 6.904 4.730 148 HD2 LYS 20 2HD LYS 20 -1.483 5.364 6.466 149 HD3 LYS 20 1HD LYS 20 -0.029 5.619 5.509 150 HE2 LYS 20 2HE LYS 20 0.526 5.595 7.867 151 HE3 LYS 20 1HE LYS 20 0.774 7.205 7.203 152 HZ1 LYS 20 1HZ LYS 20 -1.318 7.906 8.172 153 HZ2 LYS 20 2HZ LYS 20 -0.322 7.279 9.358 154 HZ3 LYS 20 3HZ LYS 20 -1.601 6.358 8.778 155 H GLY 21 H GLY 21 0.250 9.646 2.065 156 HA2 GLY 21 2HA GLY 21 1.288 11.814 1.369 157 HA3 GLY 21 1HA GLY 21 1.937 11.892 3.004 158 H PHE 22 H PHE 22 1.723 9.103 0.927 159 HA PHE 22 HA PHE 22 4.630 8.968 0.855 160 HB2 PHE 22 2HB PHE 22 2.548 6.921 1.370 161 HB3 PHE 22 1HB PHE 22 3.997 6.336 0.585 162 HD1 PHE 22 1HD PHE 22 6.129 6.654 1.636 163 HD2 PHE 22 2HD PHE 22 2.495 7.477 3.650 164 HE1 PHE 22 1HE PHE 22 7.295 6.527 3.670 165 HE2 PHE 22 2HE PHE 22 3.665 7.357 5.805 166 HZ PHE 22 HZ PHE 22 6.091 6.885 5.850 167 H ARG 23 H ARG 23 5.515 8.006 -0.973 168 HA ARG 23 HA ARG 23 4.189 8.754 -3.390 169 HB2 ARG 23 2HB ARG 23 6.842 7.391 -2.892 170 HB3 ARG 23 1HB ARG 23 6.234 7.825 -4.476 171 HG2 ARG 23 2HG ARG 23 6.881 9.742 -2.245 172 HG3 ARG 23 1HG ARG 23 7.851 9.445 -3.690 173 HD2 ARG 23 2HD ARG 23 5.096 10.666 -3.549 174 HD3 ARG 23 1HD ARG 23 6.593 11.445 -4.055 175 HE ARG 23 HE ARG 23 6.142 9.217 -5.692 176 HH11 ARG 23 1HH1 ARG 23 4.853 12.476 -5.183 177 HH12 ARG 23 2HH1 ARG 23 4.213 12.583 -6.754 178 HH21 ARG 23 1HH2 ARG 23 5.231 9.373 -7.779 179 HH22 ARG 23 2HH2 ARG 23 4.404 10.791 -8.260 180 H GLY 24 H GLY 24 4.369 5.974 -1.421 181 HA2 GLY 24 2HA GLY 24 2.287 4.759 -2.699 182 HA3 GLY 24 1HA GLY 24 3.712 4.186 -3.537 183 H GLY 25 H GLY 25 1.922 2.617 -2.291 184 HA2 GLY 25 2HA GLY 25 3.476 1.500 -0.118 185 HA3 GLY 25 1HA GLY 25 1.719 1.651 -0.021 186 H TRP 26 H TRP 26 3.288 -0.724 -0.017 187 HA TRP 26 HA TRP 26 2.113 -2.058 -2.307 188 HB2 TRP 26 2HB TRP 26 4.174 -2.898 -3.180 189 HB3 TRP 26 1HB TRP 26 4.460 -1.178 -2.947 190 HD1 TRP 26 HD TRP 26 5.866 -4.494 -2.090 191 HE1 TRP 26 1HE TRP 26 7.706 -4.282 -0.290 192 HE3 TRP 26 3HE TRP 26 5.164 0.364 -0.735 193 HZ2 TRP 26 2HZ TRP 26 8.691 -2.422 1.409 194 HZ3 TRP 26 3HZ TRP 26 6.587 1.337 0.991 195 HH2 TRP 26 HH TRP 26 8.367 -0.043 2.072 196 H CYS 27 H CYS 27 2.350 -4.359 -2.026 197 HA CYS 27 HA CYS 27 2.499 -5.167 0.746 198 HB2 CYS 27 2HB CYS 27 1.560 -6.564 -1.744 199 HB3 CYS 27 1HB CYS 27 1.520 -7.248 -0.119 200 H ASP 28 H ASP 28 4.355 -5.949 1.419 201 HA ASP 28 HA ASP 28 6.478 -6.739 -0.364 202 HB2 ASP 28 2HB ASP 28 6.185 -6.730 2.607 203 HB3 ASP 28 1HB ASP 28 7.387 -7.803 1.907 204 H SER 29 H SER 29 7.624 -8.992 0.252 205 HA SER 29 HA SER 29 5.884 -11.014 -0.634 206 HB2 SER 29 2HB SER 29 7.976 -12.448 -0.076 207 HB3 SER 29 1HB SER 29 8.127 -11.206 -1.321 208 HG SER 29 HG SER 29 9.611 -10.342 -0.162 209 H ARG 30 H ARG 30 6.403 -9.698 2.341 210 HA ARG 30 HA ARG 30 5.648 -11.950 3.995 211 HB2 ARG 30 2HB ARG 30 5.852 -8.991 4.561 212 HB3 ARG 30 1HB ARG 30 5.426 -10.190 5.769 213 HG2 ARG 30 2HG ARG 30 7.578 -11.177 5.665 214 HG3 ARG 30 1HG ARG 30 8.011 -10.239 4.236 215 HD2 ARG 30 2HD ARG 30 7.389 -9.087 6.959 216 HD3 ARG 30 1HD ARG 30 9.015 -9.328 6.320 217 HE ARG 30 HE ARG 30 8.251 -7.811 4.462 218 HH11 ARG 30 1HH1 ARG 30 7.142 -7.444 7.805 219 HH12 ARG 30 2HH1 ARG 30 6.787 -5.786 7.659 220 HH21 ARG 30 1HH2 ARG 30 7.736 -5.447 4.274 221 HH22 ARG 30 2HH2 ARG 30 7.118 -4.655 5.633 222 H LYS 31 H LYS 31 4.004 -10.019 1.825 223 HA LYS 31 HA LYS 31 1.881 -9.578 1.325 224 HB2 LYS 31 2HB LYS 31 1.337 -11.709 3.389 225 HB3 LYS 31 1HB LYS 31 0.049 -10.944 2.478 226 HG2 LYS 31 2HG LYS 31 2.344 -12.515 1.308 227 HG3 LYS 31 1HG LYS 31 0.698 -13.109 1.521 228 HD2 LYS 31 2HD LYS 31 1.532 -10.791 -0.240 229 HD3 LYS 31 1HD LYS 31 1.112 -12.411 -0.807 230 HE2 LYS 31 2HE LYS 31 -0.678 -10.465 0.625 231 HE3 LYS 31 1HE LYS 31 -0.704 -10.796 -1.100 232 HZ1 LYS 31 1HZ LYS 31 -1.387 -13.054 -0.597 233 HZ2 LYS 31 2HZ LYS 31 -2.462 -11.940 0.078 234 HZ3 LYS 31 3HZ LYS 31 -1.355 -12.738 1.057 235 H VAL 32 H VAL 32 3.251 -8.092 3.329 236 HA VAL 32 HA VAL 32 0.972 -6.950 4.836 237 HB VAL 32 HB VAL 32 3.918 -6.506 5.355 238 HG11 VAL 32 1HG1 VAL 32 1.500 -5.921 7.055 239 HG12 VAL 32 2HG1 VAL 32 2.493 -4.741 6.199 240 HG13 VAL 32 3HG1 VAL 32 3.177 -5.665 7.537 241 HG21 VAL 32 1HG2 VAL 32 2.075 -8.416 6.783 242 HG22 VAL 32 2HG2 VAL 32 3.729 -8.028 7.266 243 HG23 VAL 32 3HG2 VAL 32 3.426 -8.860 5.740 244 H CYS 33 H CYS 33 0.412 -4.970 4.429 245 HA CYS 33 HA CYS 33 1.504 -3.500 2.270 246 HB2 CYS 33 2HB CYS 33 -0.574 -3.021 4.342 247 HB3 CYS 33 1HB CYS 33 0.021 -1.685 3.371 248 H ASN 34 H ASN 34 2.976 -1.987 2.290 249 HA ASN 34 HA ASN 34 3.784 -0.696 4.815 250 HB2 ASN 34 2HB ASN 34 5.710 -1.553 2.638 251 HB3 ASN 34 1HB ASN 34 6.117 -0.800 4.167 252 HD21 ASN 34 1HD2 ASN 34 5.141 -3.655 2.573 253 HD22 ASN 34 2HD2 ASN 34 5.526 -4.760 3.840 254 H CYS 35 H CYS 35 4.436 1.463 4.470 255 HA CYS 35 HA CYS 35 4.010 2.506 1.734 256 HB2 CYS 35 2HB CYS 35 3.728 3.975 4.374 257 HB3 CYS 35 1HB CYS 35 3.353 4.611 2.781 258 H ARG 36 H ARG 36 5.841 3.308 0.778 259 HA ARG 36 HA ARG 36 7.843 4.790 1.977 260 HB2 ARG 36 2HB ARG 36 8.091 2.614 3.324 261 HB3 ARG 36 1HB ARG 36 8.756 1.935 1.849 262 HG2 ARG 36 2HG ARG 36 10.531 3.560 1.869 263 HG3 ARG 36 1HG ARG 36 9.857 4.299 3.327 264 HD2 ARG 36 2HD ARG 36 11.647 2.832 3.991 265 HD3 ARG 36 1HD ARG 36 10.116 2.116 4.485 266 HE ARG 36 HE ARG 36 11.646 1.290 2.114 267 HH11 ARG 36 1HH1 ARG 36 9.495 0.409 4.830 268 HH12 ARG 36 2HH1 ARG 36 9.595 -1.259 4.485 269 HH21 ARG 36 1HH2 ARG 36 11.746 -1.010 1.730 270 HH22 ARG 36 2HH2 ARG 36 10.865 -2.060 2.732 271 H ARG 37 H ARG 37 6.755 2.725 -0.594 272 HA ARG 37 HA ARG 37 9.107 3.456 -2.161 273 HB2 ARG 37 2HB ARG 37 7.183 1.142 -2.482 274 HB3 ARG 37 1HB ARG 37 8.388 1.574 -3.690 275 HG2 ARG 37 2HG ARG 37 10.147 1.146 -2.029 276 HG3 ARG 37 1HG ARG 37 8.871 0.746 -0.866 277 HD2 ARG 37 2HD ARG 37 9.895 -1.270 -1.919 278 HD3 ARG 37 1HD ARG 37 8.159 -1.132 -2.168 279 HE ARG 37 HE ARG 37 9.715 -0.003 -4.284 280 HH11 ARG 37 1HH1 ARG 37 8.326 -3.046 -3.062 281 HH12 ARG 37 2HH1 ARG 37 8.261 -3.781 -4.605 282 HH21 ARG 37 1HH2 ARG 37 9.559 -1.050 -6.419 283 HH22 ARG 37 2HH2 ARG 37 8.983 -2.633 -6.517 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 -9.768 0.145 5.095 2 H2 GLY 1 2HT GLY 1 -10.314 -0.240 6.654 3 H3 GLY 1 3HT GLY 1 -10.172 -1.443 5.472 4 HA2 GLY 1 1HA GLY 1 -7.910 0.072 6.578 5 HA3 GLY 1 2HA GLY 1 -8.380 -1.566 7.041 6 H ILE 2 H ILE 2 -5.897 -1.495 6.163 7 HA ILE 2 HA ILE 2 -5.697 -1.620 3.364 8 HB ILE 2 HB ILE 2 -3.393 -2.512 3.917 9 HG12 ILE 2 2HG1 ILE 2 -4.295 -1.844 6.740 10 HG13 ILE 2 1HG1 ILE 2 -3.861 -3.440 6.141 11 HG21 ILE 2 1HG2 ILE 2 -2.600 -0.313 4.639 12 HG22 ILE 2 2HG2 ILE 2 -4.253 0.134 5.059 13 HG23 ILE 2 3HG2 ILE 2 -3.827 -0.194 3.379 14 HD11 ILE 2 1HD1 ILE 2 -1.581 -2.750 5.885 15 HD12 ILE 2 2HD1 ILE 2 -2.117 -2.336 7.525 16 HD13 ILE 2 3HD1 ILE 2 -2.020 -1.092 6.264 17 H THR 3 H THR 3 -5.436 -3.347 2.094 18 HA THR 3 HA THR 3 -5.964 -5.990 3.203 19 HB THR 3 HB THR 3 -7.123 -4.776 0.696 20 HG1 THR 3 1HG THR 3 -8.173 -5.102 3.319 21 HG21 THR 3 1HG2 THR 3 -6.882 -7.217 0.599 22 HG22 THR 3 2HG2 THR 3 -8.587 -6.779 0.686 23 HG23 THR 3 3HG2 THR 3 -7.756 -7.375 2.122 24 H CYS 4 H CYS 4 -4.736 -7.559 2.040 25 HA CYS 4 HA CYS 4 -3.299 -6.590 -0.294 26 HB2 CYS 4 2HB CYS 4 -2.037 -8.245 1.882 27 HB3 CYS 4 1HB CYS 4 -1.315 -7.747 0.343 28 H ASP 5 H ASP 5 -4.743 -7.665 -1.542 29 HA ASP 5 HA ASP 5 -4.750 -10.579 -1.316 30 HB2 ASP 5 2HB ASP 5 -6.838 -9.393 -1.964 31 HB3 ASP 5 1HB ASP 5 -6.014 -8.763 -3.386 32 H LEU 6 H LEU 6 -3.514 -7.931 -3.102 33 HA LEU 6 HA LEU 6 -1.908 -9.728 -4.737 34 HB2 LEU 6 2HB LEU 6 -2.832 -6.920 -5.296 35 HB3 LEU 6 1HB LEU 6 -1.685 -7.801 -6.280 36 HG LEU 6 HG LEU 6 -4.547 -8.636 -5.820 37 HD11 LEU 6 1HD1 LEU 6 -4.918 -7.897 -8.121 38 HD12 LEU 6 2HD1 LEU 6 -3.259 -7.317 -8.210 39 HD13 LEU 6 3HD1 LEU 6 -4.400 -6.554 -7.102 40 HD21 LEU 6 1HD2 LEU 6 -4.112 -10.181 -7.687 41 HD22 LEU 6 2HD2 LEU 6 -3.076 -10.518 -6.306 42 HD23 LEU 6 3HD2 LEU 6 -2.426 -9.669 -7.707 43 H ILE 7 H ILE 7 0.116 -9.409 -4.845 44 HA ILE 7 HA ILE 7 1.553 -7.700 -3.015 45 HB ILE 7 HB ILE 7 2.544 -9.577 -5.195 46 HG12 ILE 7 2HG1 ILE 7 2.428 -10.013 -2.203 47 HG13 ILE 7 1HG1 ILE 7 1.309 -10.712 -3.367 48 HG21 ILE 7 1HG2 ILE 7 4.073 -8.245 -2.960 49 HG22 ILE 7 2HG2 ILE 7 4.201 -7.868 -4.677 50 HG23 ILE 7 3HG2 ILE 7 4.725 -9.444 -4.076 51 HD11 ILE 7 1HD1 ILE 7 3.023 -12.301 -2.657 52 HD12 ILE 7 2HD1 ILE 7 4.273 -11.214 -3.284 53 HD13 ILE 7 3HD1 ILE 7 3.116 -11.954 -4.384 54 H GLY 8 H GLY 8 2.209 -5.736 -3.575 55 HA2 GLY 8 2HA GLY 8 2.941 -3.901 -4.824 56 HA3 GLY 8 1HA GLY 8 3.175 -5.009 -6.152 57 H ASN 9 H ASN 9 0.520 -5.768 -6.507 58 HA ASN 9 HA ASN 9 -0.320 -3.532 -8.176 59 HB2 ASN 9 2HB ASN 9 -1.358 -6.360 -7.918 60 HB3 ASN 9 1HB ASN 9 -1.966 -5.189 -9.077 61 HD21 ASN 9 1HD2 ASN 9 -1.412 -6.602 -10.736 62 HD22 ASN 9 2HD2 ASN 9 0.224 -6.786 -11.255 63 H GLU 10 H GLU 10 -0.848 -4.476 -5.189 64 HA GLU 10 HA GLU 10 -3.625 -4.339 -4.930 65 HB2 GLU 10 2HB GLU 10 -2.367 -5.732 -3.515 66 HB3 GLU 10 1HB GLU 10 -1.382 -4.416 -2.930 67 HG2 GLU 10 2HG GLU 10 -2.969 -5.000 -1.318 68 HG3 GLU 10 1HG GLU 10 -3.346 -3.412 -2.018 69 H ARG 11 H ARG 11 -4.016 -2.570 -5.840 70 HA ARG 11 HA ARG 11 -3.339 0.087 -5.444 71 HB2 ARG 11 2HB ARG 11 -6.153 -0.893 -5.901 72 HB3 ARG 11 1HB ARG 11 -5.539 0.707 -6.241 73 HG2 ARG 11 2HG ARG 11 -4.711 -1.833 -7.653 74 HG3 ARG 11 1HG ARG 11 -5.840 -0.633 -8.267 75 HD2 ARG 11 2HD ARG 11 -3.849 -0.121 -9.366 76 HD3 ARG 11 1HD ARG 11 -3.884 1.018 -8.025 77 HE ARG 11 HE ARG 11 -2.458 -1.461 -7.613 78 HH11 ARG 11 1HH1 ARG 11 -2.266 1.987 -8.395 79 HH12 ARG 11 2HH1 ARG 11 -0.585 2.116 -8.166 80 HH21 ARG 11 1HH2 ARG 11 -0.023 -1.270 -7.323 81 HH22 ARG 11 2HH2 ARG 11 0.672 0.261 -7.569 82 H LEU 12 H LEU 12 -5.406 -1.940 -3.418 83 HA LEU 12 HA LEU 12 -6.540 0.171 -1.906 84 HB2 LEU 12 2HB LEU 12 -6.327 -2.764 -1.304 85 HB3 LEU 12 1HB LEU 12 -7.271 -1.622 -0.368 86 HG LEU 12 HG LEU 12 -7.742 -2.351 -3.257 87 HD11 LEU 12 1HD1 LEU 12 -9.774 -3.391 -2.416 88 HD12 LEU 12 2HD1 LEU 12 -9.294 -2.992 -0.765 89 HD13 LEU 12 3HD1 LEU 12 -8.331 -4.123 -1.713 90 HD21 LEU 12 1HD2 LEU 12 -9.792 -1.022 -3.022 91 HD22 LEU 12 2HD2 LEU 12 -8.351 -0.034 -2.841 92 HD23 LEU 12 3HD2 LEU 12 -9.276 -0.513 -1.414 93 H CYS 13 H CYS 13 -3.528 -1.391 -1.767 94 HA CYS 13 HA CYS 13 -3.044 -0.515 0.954 95 HB2 CYS 13 2HB CYS 13 -2.025 -2.577 0.317 96 HB3 CYS 13 1HB CYS 13 -1.353 -1.878 -1.144 97 H VAL 14 H VAL 14 -2.136 0.229 -2.339 98 HA VAL 14 HA VAL 14 -0.272 2.245 -2.003 99 HB VAL 14 HB VAL 14 -2.405 2.236 -4.127 100 HG11 VAL 14 1HG1 VAL 14 -0.682 3.316 -5.513 101 HG12 VAL 14 2HG1 VAL 14 0.410 3.291 -4.117 102 HG13 VAL 14 3HG1 VAL 14 -1.068 4.239 -4.053 103 HG21 VAL 14 1HG2 VAL 14 0.196 0.711 -4.088 104 HG22 VAL 14 2HG2 VAL 14 -0.889 0.839 -5.473 105 HG23 VAL 14 3HG2 VAL 14 -1.419 0.012 -4.008 106 H VAL 15 H VAL 15 -3.797 2.513 -2.270 107 HA VAL 15 HA VAL 15 -3.958 5.294 -2.102 108 HB VAL 15 HB VAL 15 -5.764 3.828 -2.907 109 HG11 VAL 15 1HG1 VAL 15 -7.324 2.766 -1.360 110 HG12 VAL 15 2HG1 VAL 15 -6.232 3.177 -0.033 111 HG13 VAL 15 3HG1 VAL 15 -5.699 2.076 -1.299 112 HG21 VAL 15 1HG2 VAL 15 -6.340 6.115 -2.404 113 HG22 VAL 15 2HG2 VAL 15 -6.577 5.716 -0.712 114 HG23 VAL 15 3HG2 VAL 15 -7.679 5.070 -1.926 115 H HIS 16 H HIS 16 -3.507 2.955 0.422 116 HA HIS 16 HA HIS 16 -4.329 4.654 2.588 117 HB2 HIS 16 2HB HIS 16 -4.284 2.236 2.987 118 HB3 HIS 16 1HB HIS 16 -2.600 2.145 2.526 119 HD1 HIS 16 1HD HIS 16 -4.786 3.392 5.367 120 HD2 HIS 16 2HD HIS 16 -0.813 2.568 4.494 121 HE1 HIS 16 1HE HIS 16 -3.570 3.486 7.548 122 H CYS 17 H CYS 17 -1.329 3.807 1.046 123 HA CYS 17 HA CYS 17 0.358 5.403 2.697 124 HB2 CYS 17 2HB CYS 17 0.781 4.369 -0.093 125 HB3 CYS 17 1HB CYS 17 2.024 4.849 1.063 126 H LEU 18 H LEU 18 -1.418 5.934 -0.278 127 HA LEU 18 HA LEU 18 -0.299 8.498 -0.782 128 HB2 LEU 18 2HB LEU 18 -2.948 7.360 -1.676 129 HB3 LEU 18 1HB LEU 18 -2.195 8.805 -2.319 130 HG LEU 18 HG LEU 18 -1.136 5.994 -2.563 131 HD11 LEU 18 1HD1 LEU 18 -1.604 6.268 -4.942 132 HD12 LEU 18 2HD1 LEU 18 -2.328 7.840 -4.611 133 HD13 LEU 18 3HD1 LEU 18 -3.064 6.374 -3.961 134 HD21 LEU 18 1HD2 LEU 18 0.697 7.581 -2.410 135 HD22 LEU 18 2HD2 LEU 18 -0.044 8.585 -3.654 136 HD23 LEU 18 3HD2 LEU 18 0.550 6.972 -4.056 137 H ALA 19 H ALA 19 -3.018 7.361 1.135 138 HA ALA 19 HA ALA 19 -4.068 9.922 1.722 139 HB1 ALA 19 1HB ALA 19 -5.225 8.805 3.575 140 HB2 ALA 19 2HB ALA 19 -4.242 7.360 3.309 141 HB3 ALA 19 3HB ALA 19 -5.366 7.913 2.063 142 H LYS 20 H LYS 20 -1.682 7.878 3.309 143 HA LYS 20 HA LYS 20 -1.254 9.672 5.461 144 HB2 LYS 20 2HB LYS 20 0.334 7.357 4.422 145 HB3 LYS 20 1HB LYS 20 0.967 8.368 5.708 146 HG2 LYS 20 2HG LYS 20 -1.102 7.870 7.005 147 HG3 LYS 20 1HG LYS 20 -1.552 6.725 5.740 148 HD2 LYS 20 2HD LYS 20 0.404 5.397 6.169 149 HD3 LYS 20 1HD LYS 20 1.034 6.603 7.294 150 HE2 LYS 20 2HE LYS 20 -1.514 5.026 7.657 151 HE3 LYS 20 1HE LYS 20 0.016 4.662 8.440 152 HZ1 LYS 20 1HZ LYS 20 -1.528 7.176 8.782 153 HZ2 LYS 20 2HZ LYS 20 -0.098 6.787 9.591 154 HZ3 LYS 20 3HZ LYS 20 -1.503 5.906 9.877 155 H GLY 21 H GLY 21 0.177 9.434 2.311 156 HA2 GLY 21 2HA GLY 21 0.975 11.571 1.393 157 HA3 GLY 21 1HA GLY 21 1.691 11.894 2.971 158 H PHE 22 H PHE 22 1.688 8.981 1.082 159 HA PHE 22 HA PHE 22 4.609 8.983 1.060 160 HB2 PHE 22 2HB PHE 22 2.525 6.892 1.262 161 HB3 PHE 22 1HB PHE 22 3.981 6.391 0.448 162 HD1 PHE 22 1HD PHE 22 2.425 7.320 3.583 163 HD2 PHE 22 2HD PHE 22 6.028 6.362 1.590 164 HE1 PHE 22 1HE PHE 22 3.488 6.834 5.746 165 HE2 PHE 22 2HE PHE 22 7.101 5.874 3.626 166 HZ PHE 22 HZ PHE 22 5.848 6.102 5.810 167 H ARG 23 H ARG 23 5.567 7.995 -0.839 168 HA ARG 23 HA ARG 23 4.592 8.939 -3.312 169 HB2 ARG 23 2HB ARG 23 6.739 7.051 -2.491 170 HB3 ARG 23 1HB ARG 23 6.172 6.961 -4.146 171 HG2 ARG 23 2HG ARG 23 8.139 8.341 -3.968 172 HG3 ARG 23 1HG ARG 23 6.744 9.288 -4.479 173 HD2 ARG 23 2HD ARG 23 6.504 10.116 -2.187 174 HD3 ARG 23 1HD ARG 23 7.915 9.164 -1.711 175 HE ARG 23 HE ARG 23 8.527 10.819 -3.897 176 HH11 ARG 23 1HH1 ARG 23 7.890 11.079 -0.443 177 HH12 ARG 23 2HH1 ARG 23 8.980 12.356 -0.183 178 HH21 ARG 23 1HH2 ARG 23 9.955 12.566 -3.591 179 HH22 ARG 23 2HH2 ARG 23 10.160 13.277 -2.038 180 H GLY 24 H GLY 24 4.178 6.004 -1.515 181 HA2 GLY 24 2HA GLY 24 1.781 5.284 -2.513 182 HA3 GLY 24 1HA GLY 24 2.935 4.603 -3.657 183 H GLY 25 H GLY 25 1.925 2.609 -2.822 184 HA2 GLY 25 2HA GLY 25 3.471 1.623 -0.620 185 HA3 GLY 25 1HA GLY 25 1.729 1.663 -0.381 186 H TRP 26 H TRP 26 3.187 -0.643 -0.362 187 HA TRP 26 HA TRP 26 1.886 -2.040 -2.499 188 HB2 TRP 26 2HB TRP 26 3.844 -3.034 -3.480 189 HB3 TRP 26 1HB TRP 26 4.106 -1.293 -3.489 190 HD1 TRP 26 HD TRP 26 5.743 -4.458 -2.712 191 HE1 TRP 26 1HE TRP 26 7.863 -4.113 -1.303 192 HE3 TRP 26 3HE TRP 26 5.007 0.377 -1.317 193 HZ2 TRP 26 2HZ TRP 26 9.037 -2.091 0.209 194 HZ3 TRP 26 3HZ TRP 26 6.642 1.463 0.135 195 HH2 TRP 26 HH TRP 26 8.655 0.242 0.890 196 H CYS 27 H CYS 27 1.228 -3.922 -1.738 197 HA CYS 27 HA CYS 27 2.173 -4.887 0.772 198 HB2 CYS 27 2HB CYS 27 0.387 -6.153 -1.309 199 HB3 CYS 27 1HB CYS 27 0.673 -6.784 0.313 200 H ASP 28 H ASP 28 3.852 -6.156 1.020 201 HA ASP 28 HA ASP 28 5.240 -6.989 -1.421 202 HB2 ASP 28 2HB ASP 28 7.238 -7.322 -0.089 203 HB3 ASP 28 1HB ASP 28 6.470 -5.856 0.455 204 H SER 29 H SER 29 6.624 -9.269 -0.647 205 HA SER 29 HA SER 29 4.759 -11.246 -1.274 206 HB2 SER 29 2HB SER 29 7.518 -11.659 -0.123 207 HB3 SER 29 1HB SER 29 6.611 -12.747 -1.172 208 HG SER 29 HG SER 29 7.210 -11.645 -2.853 209 H ARG 30 H ARG 30 5.700 -9.983 1.818 210 HA ARG 30 HA ARG 30 4.748 -12.248 3.355 211 HB2 ARG 30 2HB ARG 30 5.347 -9.404 4.169 212 HB3 ARG 30 1HB ARG 30 4.994 -10.714 5.280 213 HG2 ARG 30 2HG ARG 30 7.040 -11.787 4.792 214 HG3 ARG 30 1HG ARG 30 7.340 -10.736 3.398 215 HD2 ARG 30 2HD ARG 30 7.244 -9.916 6.301 216 HD3 ARG 30 1HD ARG 30 8.686 -10.025 5.283 217 HE ARG 30 HE ARG 30 7.063 -8.374 3.904 218 HH11 ARG 30 1HH1 ARG 30 8.421 -8.259 7.180 219 HH12 ARG 30 2HH1 ARG 30 8.279 -6.572 7.321 220 HH21 ARG 30 1HH2 ARG 30 6.841 -6.145 4.100 221 HH22 ARG 30 2HH2 ARG 30 7.388 -5.287 5.483 222 H LYS 31 H LYS 31 3.247 -9.947 1.518 223 HA LYS 31 HA LYS 31 1.203 -9.111 1.266 224 HB2 LYS 31 2HB LYS 31 0.480 -11.260 3.263 225 HB3 LYS 31 1HB LYS 31 -0.728 -10.225 2.515 226 HG2 LYS 31 2HG LYS 31 1.142 -12.067 1.026 227 HG3 LYS 31 1HG LYS 31 -0.535 -12.433 1.432 228 HD2 LYS 31 2HD LYS 31 -1.266 -10.490 0.099 229 HD3 LYS 31 1HD LYS 31 0.412 -10.156 -0.325 230 HE2 LYS 31 2HE LYS 31 -0.702 -11.333 -2.131 231 HE3 LYS 31 1HE LYS 31 0.565 -12.334 -1.431 232 HZ1 LYS 31 1HZ LYS 31 -1.195 -13.522 -0.174 233 HZ2 LYS 31 2HZ LYS 31 -1.409 -13.631 -1.829 234 HZ3 LYS 31 3HZ LYS 31 -2.363 -12.598 -0.949 235 H VAL 32 H VAL 32 3.016 -7.973 3.089 236 HA VAL 32 HA VAL 32 1.312 -6.663 5.075 237 HB VAL 32 HB VAL 32 4.312 -6.482 4.582 238 HG11 VAL 32 1HG1 VAL 32 3.434 -4.432 5.595 239 HG12 VAL 32 2HG1 VAL 32 4.452 -5.325 6.724 240 HG13 VAL 32 3HG1 VAL 32 2.699 -5.385 6.888 241 HG21 VAL 32 1HG2 VAL 32 2.805 -7.904 6.765 242 HG22 VAL 32 2HG2 VAL 32 4.561 -7.784 6.622 243 HG23 VAL 32 3HG2 VAL 32 3.632 -8.670 5.410 244 H CYS 33 H CYS 33 0.651 -4.581 4.729 245 HA CYS 33 HA CYS 33 1.129 -3.329 2.183 246 HB2 CYS 33 2HB CYS 33 -1.128 -3.042 3.568 247 HB3 CYS 33 1HB CYS 33 -0.119 -2.123 4.646 248 H ASN 34 H ASN 34 3.065 -2.357 1.843 249 HA ASN 34 HA ASN 34 4.404 -1.008 4.113 250 HB2 ASN 34 2HB ASN 34 5.633 -1.803 1.462 251 HB3 ASN 34 1HB ASN 34 6.471 -1.216 2.886 252 HD21 ASN 34 1HD2 ASN 34 5.010 -3.860 1.331 253 HD22 ASN 34 2HD2 ASN 34 5.529 -5.098 2.438 254 H CYS 35 H CYS 35 4.967 1.162 3.825 255 HA CYS 35 HA CYS 35 4.051 2.356 1.302 256 HB2 CYS 35 2HB CYS 35 4.116 3.646 4.048 257 HB3 CYS 35 1HB CYS 35 3.574 4.389 2.562 258 H ARG 36 H ARG 36 5.433 3.423 0.136 259 HA ARG 36 HA ARG 36 7.511 5.076 0.857 260 HB2 ARG 36 2HB ARG 36 8.656 3.121 1.870 261 HB3 ARG 36 1HB ARG 36 8.527 2.266 0.341 262 HG2 ARG 36 2HG ARG 36 9.952 4.033 -0.678 263 HG3 ARG 36 1HG ARG 36 10.188 4.692 0.943 264 HD2 ARG 36 2HD ARG 36 11.136 2.562 1.677 265 HD3 ARG 36 1HD ARG 36 10.868 1.892 0.068 266 HE ARG 36 HE ARG 36 12.439 4.256 0.032 267 HH11 ARG 36 1HH1 ARG 36 12.634 0.738 0.513 268 HH12 ARG 36 2HH1 ARG 36 14.280 0.623 0.114 269 HH21 ARG 36 1HH2 ARG 36 14.751 4.085 -0.485 270 HH22 ARG 36 2HH2 ARG 36 15.507 2.569 -0.448 271 H ARG 37 H ARG 37 6.564 2.466 -1.350 272 HA ARG 37 HA ARG 37 7.776 3.925 -3.562 273 HB2 ARG 37 2HB ARG 37 7.288 0.977 -3.251 274 HB3 ARG 37 1HB ARG 37 8.163 1.754 -4.573 275 HG2 ARG 37 2HG ARG 37 9.859 2.511 -2.919 276 HG3 ARG 37 1HG ARG 37 8.957 1.637 -1.682 277 HD2 ARG 37 2HD ARG 37 10.841 0.303 -2.427 278 HD3 ARG 37 1HD ARG 37 9.327 -0.460 -2.905 279 HE ARG 37 HE ARG 37 10.212 1.178 -4.981 280 HH11 ARG 37 1HH1 ARG 37 11.231 -1.814 -3.350 281 HH12 ARG 37 2HH1 ARG 37 11.883 -2.507 -4.757 282 HH21 ARG 37 1HH2 ARG 37 11.163 0.223 -6.889 283 HH22 ARG 37 2HH2 ARG 37 11.831 -1.337 -6.820 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 -9.707 -1.081 7.087 2 H2 GLY 1 2HT GLY 1 -8.469 -2.213 6.985 3 H3 GLY 1 3HT GLY 1 -9.662 -2.169 5.795 4 HA2 GLY 1 1HA GLY 1 -8.925 0.011 5.110 5 HA3 GLY 1 2HA GLY 1 -7.641 -0.077 6.297 6 H ILE 2 H ILE 2 -5.793 -1.294 5.825 7 HA ILE 2 HA ILE 2 -5.272 -1.676 3.118 8 HB ILE 2 HB ILE 2 -3.118 -2.625 3.893 9 HG12 ILE 2 2HG1 ILE 2 -4.329 -2.234 6.653 10 HG13 ILE 2 1HG1 ILE 2 -3.842 -3.762 5.937 11 HG21 ILE 2 1HG2 ILE 2 -2.344 -0.551 4.952 12 HG22 ILE 2 2HG2 ILE 2 -4.023 -0.081 5.222 13 HG23 ILE 2 3HG2 ILE 2 -3.405 -0.246 3.578 14 HD11 ILE 2 1HD1 ILE 2 -1.531 -3.096 5.996 15 HD12 ILE 2 2HD1 ILE 2 -2.234 -2.886 7.609 16 HD13 ILE 2 3HD1 ILE 2 -1.987 -1.491 6.543 17 H THR 3 H THR 3 -4.955 -3.487 1.904 18 HA THR 3 HA THR 3 -5.862 -6.040 2.961 19 HB THR 3 HB THR 3 -6.937 -4.642 0.522 20 HG1 THR 3 1HG THR 3 -7.618 -4.448 3.092 21 HG21 THR 3 1HG2 THR 3 -6.950 -7.075 0.264 22 HG22 THR 3 2HG2 THR 3 -8.605 -6.495 0.468 23 HG23 THR 3 3HG2 THR 3 -7.758 -7.254 1.819 24 H CYS 4 H CYS 4 -5.023 -7.771 1.608 25 HA CYS 4 HA CYS 4 -3.389 -6.882 -0.625 26 HB2 CYS 4 2HB CYS 4 -2.660 -9.118 1.273 27 HB3 CYS 4 1HB CYS 4 -1.777 -8.620 -0.171 28 H ASP 5 H ASP 5 -4.887 -7.353 -2.063 29 HA ASP 5 HA ASP 5 -5.705 -10.159 -2.358 30 HB2 ASP 5 2HB ASP 5 -7.500 -8.429 -2.578 31 HB3 ASP 5 1HB ASP 5 -6.580 -7.668 -3.871 32 H LEU 6 H LEU 6 -3.904 -7.474 -3.566 33 HA LEU 6 HA LEU 6 -2.576 -9.155 -5.521 34 HB2 LEU 6 2HB LEU 6 -2.956 -6.166 -5.354 35 HB3 LEU 6 1HB LEU 6 -1.978 -6.989 -6.552 36 HG LEU 6 HG LEU 6 -4.955 -7.397 -6.262 37 HD11 LEU 6 1HD1 LEU 6 -4.460 -5.082 -6.887 38 HD12 LEU 6 2HD1 LEU 6 -5.173 -5.976 -8.227 39 HD13 LEU 6 3HD1 LEU 6 -3.439 -5.656 -8.205 40 HD21 LEU 6 1HD2 LEU 6 -2.996 -8.122 -8.432 41 HD22 LEU 6 2HD2 LEU 6 -4.738 -8.394 -8.477 42 HD23 LEU 6 3HD2 LEU 6 -3.747 -9.239 -7.294 43 H ILE 7 H ILE 7 -0.368 -8.860 -5.541 44 HA ILE 7 HA ILE 7 0.843 -7.734 -3.131 45 HB ILE 7 HB ILE 7 1.820 -9.972 -4.955 46 HG12 ILE 7 2HG1 ILE 7 0.850 -10.025 -2.089 47 HG13 ILE 7 1HG1 ILE 7 -0.019 -10.634 -3.484 48 HG21 ILE 7 1HG2 ILE 7 3.710 -8.662 -4.127 49 HG22 ILE 7 2HG2 ILE 7 3.678 -10.251 -3.364 50 HG23 ILE 7 3HG2 ILE 7 3.123 -8.836 -2.473 51 HD11 ILE 7 1HD1 ILE 7 0.994 -12.440 -2.209 52 HD12 ILE 7 2HD1 ILE 7 2.587 -11.712 -2.436 53 HD13 ILE 7 3HD1 ILE 7 1.685 -12.322 -3.826 54 H GLY 8 H GLY 8 2.277 -6.130 -3.475 55 HA2 GLY 8 2HA GLY 8 3.628 -4.657 -4.639 56 HA3 GLY 8 1HA GLY 8 3.443 -5.676 -6.047 57 H ASN 9 H ASN 9 0.806 -5.673 -6.619 58 HA ASN 9 HA ASN 9 0.459 -3.095 -7.867 59 HB2 ASN 9 2HB ASN 9 0.473 -5.372 -8.942 60 HB3 ASN 9 1HB ASN 9 -0.979 -5.713 -8.007 61 HD21 ASN 9 1HD2 ASN 9 -2.190 -6.039 -9.786 62 HD22 ASN 9 2HD2 ASN 9 -2.662 -4.731 -10.793 63 H GLU 10 H GLU 10 -0.079 -3.647 -5.002 64 HA GLU 10 HA GLU 10 -2.880 -4.059 -4.889 65 HB2 GLU 10 2HB GLU 10 -1.587 -5.440 -3.521 66 HB3 GLU 10 1HB GLU 10 -0.808 -4.090 -2.726 67 HG2 GLU 10 2HG GLU 10 -2.537 -5.104 -1.412 68 HG3 GLU 10 1HG GLU 10 -2.872 -3.399 -1.830 69 H ARG 11 H ARG 11 -3.482 -2.318 -5.686 70 HA ARG 11 HA ARG 11 -3.240 0.328 -4.901 71 HB2 ARG 11 2HB ARG 11 -5.724 -1.040 -5.906 72 HB3 ARG 11 1HB ARG 11 -5.519 0.698 -5.790 73 HG2 ARG 11 2HG ARG 11 -3.911 -1.176 -7.516 74 HG3 ARG 11 1HG ARG 11 -5.152 -0.046 -8.061 75 HD2 ARG 11 2HD ARG 11 -2.499 0.661 -6.790 76 HD3 ARG 11 1HD ARG 11 -2.949 0.882 -8.472 77 HE ARG 11 HE ARG 11 -4.790 2.236 -6.828 78 HH11 ARG 11 1HH1 ARG 11 -1.439 2.508 -7.910 79 HH12 ARG 11 2HH1 ARG 11 -1.395 4.208 -7.815 80 HH21 ARG 11 1HH2 ARG 11 -4.712 4.536 -6.624 81 HH22 ARG 11 2HH2 ARG 11 -3.292 5.394 -7.040 82 H LEU 12 H LEU 12 -5.053 -2.191 -3.198 83 HA LEU 12 HA LEU 12 -6.511 -0.342 -1.569 84 HB2 LEU 12 2HB LEU 12 -5.905 -3.262 -1.105 85 HB3 LEU 12 1HB LEU 12 -7.063 -2.312 -0.196 86 HG LEU 12 HG LEU 12 -7.247 -3.014 -3.120 87 HD11 LEU 12 1HD1 LEU 12 -8.846 -3.960 -0.756 88 HD12 LEU 12 2HD1 LEU 12 -7.689 -4.911 -1.688 89 HD13 LEU 12 3HD1 LEU 12 -9.179 -4.348 -2.442 90 HD21 LEU 12 1HD2 LEU 12 -8.204 -0.835 -2.734 91 HD22 LEU 12 2HD2 LEU 12 -9.118 -1.445 -1.360 92 HD23 LEU 12 3HD2 LEU 12 -9.497 -2.004 -2.990 93 H CYS 13 H CYS 13 -3.372 -1.588 -1.562 94 HA CYS 13 HA CYS 13 -2.860 -0.776 1.168 95 HB2 CYS 13 2HB CYS 13 -1.719 -2.741 0.386 96 HB3 CYS 13 1HB CYS 13 -1.123 -1.904 -1.038 97 H VAL 14 H VAL 14 -2.138 0.159 -2.153 98 HA VAL 14 HA VAL 14 -0.450 2.323 -1.755 99 HB VAL 14 HB VAL 14 -2.537 2.089 -3.938 100 HG11 VAL 14 1HG1 VAL 14 0.052 3.633 -3.868 101 HG12 VAL 14 2HG1 VAL 14 -1.576 4.313 -3.830 102 HG13 VAL 14 3HG1 VAL 14 -1.008 3.468 -5.269 103 HG21 VAL 14 1HG2 VAL 14 -1.149 0.090 -3.838 104 HG22 VAL 14 2HG2 VAL 14 0.306 1.085 -3.895 105 HG23 VAL 14 3HG2 VAL 14 -0.785 1.035 -5.281 106 H VAL 15 H VAL 15 -3.983 2.245 -1.688 107 HA VAL 15 HA VAL 15 -4.358 5.022 -1.586 108 HB VAL 15 HB VAL 15 -6.144 3.400 -2.118 109 HG11 VAL 15 1HG1 VAL 15 -6.202 2.858 0.825 110 HG12 VAL 15 2HG1 VAL 15 -5.770 1.722 -0.454 111 HG13 VAL 15 3HG1 VAL 15 -7.426 2.324 -0.325 112 HG21 VAL 15 1HG2 VAL 15 -7.988 4.581 -0.983 113 HG22 VAL 15 2HG2 VAL 15 -6.762 5.679 -1.619 114 HG23 VAL 15 3HG2 VAL 15 -6.811 5.315 0.106 115 H HIS 16 H HIS 16 -3.507 2.756 0.936 116 HA HIS 16 HA HIS 16 -4.146 4.476 3.128 117 HB2 HIS 16 2HB HIS 16 -3.930 2.065 3.496 118 HB3 HIS 16 1HB HIS 16 -2.269 2.047 2.963 119 HD1 HIS 16 1HD HIS 16 -4.423 3.053 5.854 120 HD2 HIS 16 2HD HIS 16 -0.412 2.725 4.863 121 HE1 HIS 16 1HE HIS 16 -3.126 3.404 8.015 122 H CYS 17 H CYS 17 -1.405 3.809 1.168 123 HA CYS 17 HA CYS 17 0.474 5.465 2.478 124 HB2 CYS 17 2HB CYS 17 0.419 4.517 -0.378 125 HB3 CYS 17 1HB CYS 17 1.838 4.999 0.549 126 H LEU 18 H LEU 18 -1.738 5.931 -0.257 127 HA LEU 18 HA LEU 18 -0.866 8.538 -0.940 128 HB2 LEU 18 2HB LEU 18 -3.572 7.258 -1.337 129 HB3 LEU 18 1HB LEU 18 -3.058 8.750 -2.088 130 HG LEU 18 HG LEU 18 -1.876 6.021 -2.579 131 HD11 LEU 18 1HD1 LEU 18 -2.868 6.247 -4.805 132 HD12 LEU 18 2HD1 LEU 18 -3.605 7.773 -4.317 133 HD13 LEU 18 3HD1 LEU 18 -4.094 6.269 -3.537 134 HD21 LEU 18 1HD2 LEU 18 -0.621 7.113 -4.383 135 HD22 LEU 18 2HD2 LEU 18 -0.177 7.758 -2.805 136 HD23 LEU 18 3HD2 LEU 18 -1.246 8.678 -3.868 137 H ALA 19 H ALA 19 -3.184 7.325 1.382 138 HA ALA 19 HA ALA 19 -4.219 9.855 2.121 139 HB1 ALA 19 1HB ALA 19 -4.128 7.290 3.710 140 HB2 ALA 19 2HB ALA 19 -5.407 7.759 2.589 141 HB3 ALA 19 3HB ALA 19 -5.140 8.691 4.063 142 H LYS 20 H LYS 20 -1.641 7.814 3.440 143 HA LYS 20 HA LYS 20 -1.000 9.626 5.534 144 HB2 LYS 20 2HB LYS 20 0.444 7.260 4.412 145 HB3 LYS 20 1HB LYS 20 1.219 8.306 5.589 146 HG2 LYS 20 2HG LYS 20 -0.674 7.842 7.145 147 HG3 LYS 20 1HG LYS 20 -1.296 6.677 5.976 148 HD2 LYS 20 2HD LYS 20 0.632 5.321 6.155 149 HD3 LYS 20 1HD LYS 20 1.502 6.552 7.076 150 HE2 LYS 20 2HE LYS 20 -0.958 5.063 7.984 151 HE3 LYS 20 1HE LYS 20 0.696 4.709 8.475 152 HZ1 LYS 20 1HZ LYS 20 -0.783 7.229 9.028 153 HZ2 LYS 20 2HZ LYS 20 0.816 6.947 9.432 154 HZ3 LYS 20 3HZ LYS 20 -0.397 6.028 10.151 155 H GLY 21 H GLY 21 -0.077 9.512 2.242 156 HA2 GLY 21 2HA GLY 21 0.733 11.518 1.204 157 HA3 GLY 21 1HA GLY 21 1.522 11.939 2.721 158 H PHE 22 H PHE 22 1.522 8.981 0.861 159 HA PHE 22 HA PHE 22 4.445 9.064 0.789 160 HB2 PHE 22 2HB PHE 22 2.445 6.876 0.929 161 HB3 PHE 22 1HB PHE 22 3.992 6.485 0.192 162 HD1 PHE 22 1HD PHE 22 2.308 7.546 3.281 163 HD2 PHE 22 2HD PHE 22 5.892 6.329 1.406 164 HE1 PHE 22 1HE PHE 22 3.332 7.161 5.490 165 HE2 PHE 22 2HE PHE 22 6.923 5.942 3.460 166 HZ PHE 22 HZ PHE 22 5.661 6.355 5.628 167 H ARG 23 H ARG 23 5.448 8.148 -1.087 168 HA ARG 23 HA ARG 23 4.371 9.136 -3.513 169 HB2 ARG 23 2HB ARG 23 6.700 7.283 -3.021 170 HB3 ARG 23 1HB ARG 23 6.323 8.040 -4.563 171 HG2 ARG 23 2HG ARG 23 6.671 10.232 -3.589 172 HG3 ARG 23 1HG ARG 23 7.016 9.493 -2.025 173 HD2 ARG 23 2HD ARG 23 8.899 8.286 -3.068 174 HD3 ARG 23 1HD ARG 23 8.575 9.147 -4.571 175 HE ARG 23 HE ARG 23 8.831 11.107 -2.743 176 HH11 ARG 23 1HH1 ARG 23 10.869 8.385 -3.714 177 HH12 ARG 23 2HH1 ARG 23 12.341 9.143 -3.345 178 HH21 ARG 23 1HH2 ARG 23 10.903 12.206 -2.278 179 HH22 ARG 23 2HH2 ARG 23 12.357 11.355 -2.548 180 H GLY 24 H GLY 24 4.148 6.194 -1.753 181 HA2 GLY 24 2HA GLY 24 1.948 5.281 -3.017 182 HA3 GLY 24 1HA GLY 24 3.276 4.642 -3.976 183 H GLY 25 H GLY 25 2.109 2.683 -3.154 184 HA2 GLY 25 2HA GLY 25 3.566 1.716 -0.882 185 HA3 GLY 25 1HA GLY 25 1.813 1.752 -0.727 186 H TRP 26 H TRP 26 2.987 -0.606 -0.549 187 HA TRP 26 HA TRP 26 1.828 -2.014 -2.724 188 HB2 TRP 26 2HB TRP 26 3.792 -3.065 -3.626 189 HB3 TRP 26 1HB TRP 26 4.109 -1.343 -3.642 190 HD1 TRP 26 HD TRP 26 5.675 -4.519 -2.728 191 HE1 TRP 26 1HE TRP 26 7.746 -4.164 -1.244 192 HE3 TRP 26 3HE TRP 26 4.960 0.359 -1.468 193 HZ2 TRP 26 2HZ TRP 26 8.900 -2.132 0.255 194 HZ3 TRP 26 3HZ TRP 26 6.563 1.467 0.011 195 HH2 TRP 26 HH TRP 26 8.537 0.227 0.869 196 H CYS 27 H CYS 27 1.373 -4.094 -2.070 197 HA CYS 27 HA CYS 27 2.065 -4.749 0.676 198 HB2 CYS 27 2HB CYS 27 -0.270 -5.135 -0.042 199 HB3 CYS 27 1HB CYS 27 0.300 -6.202 -1.323 200 H ASP 28 H ASP 28 3.643 -6.167 1.129 201 HA ASP 28 HA ASP 28 5.092 -7.179 -1.193 202 HB2 ASP 28 2HB ASP 28 7.046 -7.354 0.175 203 HB3 ASP 28 1HB ASP 28 6.240 -5.885 0.659 204 H SER 29 H SER 29 6.400 -9.399 -0.290 205 HA SER 29 HA SER 29 4.463 -11.349 -0.787 206 HB2 SER 29 2HB SER 29 6.438 -12.883 -0.400 207 HB3 SER 29 1HB SER 29 6.638 -11.649 -1.643 208 HG SER 29 HG SER 29 8.057 -12.059 0.577 209 H ARG 30 H ARG 30 5.601 -10.005 2.181 210 HA ARG 30 HA ARG 30 4.858 -12.276 3.826 211 HB2 ARG 30 2HB ARG 30 5.438 -9.416 4.566 212 HB3 ARG 30 1HB ARG 30 5.274 -10.750 5.693 213 HG2 ARG 30 2HG ARG 30 7.290 -11.732 4.951 214 HG3 ARG 30 1HG ARG 30 7.364 -10.661 3.546 215 HD2 ARG 30 2HD ARG 30 7.575 -9.815 6.436 216 HD3 ARG 30 1HD ARG 30 8.900 -9.883 5.266 217 HE ARG 30 HE ARG 30 7.035 -8.339 4.070 218 HH11 ARG 30 1HH1 ARG 30 8.923 -8.052 7.068 219 HH12 ARG 30 2HH1 ARG 30 8.676 -6.376 7.206 220 HH21 ARG 30 1HH2 ARG 30 6.726 -6.134 4.249 221 HH22 ARG 30 2HH2 ARG 30 7.434 -5.200 5.506 222 H LYS 31 H LYS 31 3.137 -10.058 2.112 223 HA LYS 31 HA LYS 31 1.025 -9.373 2.012 224 HB2 LYS 31 2HB LYS 31 0.553 -11.168 4.417 225 HB3 LYS 31 1HB LYS 31 -0.720 -10.327 3.552 226 HG2 LYS 31 2HG LYS 31 1.087 -12.451 2.410 227 HG3 LYS 31 1HG LYS 31 -0.595 -12.664 2.893 228 HD2 LYS 31 2HD LYS 31 -1.255 -10.981 1.198 229 HD3 LYS 31 1HD LYS 31 0.429 -10.868 0.688 230 HE2 LYS 31 2HE LYS 31 -0.761 -12.325 -0.814 231 HE3 LYS 31 1HE LYS 31 0.386 -13.268 0.129 232 HZ1 LYS 31 1HZ LYS 31 -1.799 -14.342 -0.074 233 HZ2 LYS 31 2HZ LYS 31 -2.526 -13.072 0.729 234 HZ3 LYS 31 3HZ LYS 31 -1.415 -14.036 1.530 235 H VAL 32 H VAL 32 3.056 -7.993 3.399 236 HA VAL 32 HA VAL 32 1.532 -6.519 5.394 237 HB VAL 32 HB VAL 32 4.502 -6.407 4.762 238 HG11 VAL 32 1HG1 VAL 32 4.704 -5.089 6.825 239 HG12 VAL 32 2HG1 VAL 32 2.950 -5.105 7.005 240 HG13 VAL 32 3HG1 VAL 32 3.688 -4.276 5.635 241 HG21 VAL 32 1HG2 VAL 32 3.069 -7.638 7.112 242 HG22 VAL 32 2HG2 VAL 32 4.819 -7.556 6.888 243 HG23 VAL 32 3HG2 VAL 32 3.830 -8.520 5.791 244 H CYS 33 H CYS 33 0.831 -4.514 4.932 245 HA CYS 33 HA CYS 33 1.228 -3.398 2.308 246 HB2 CYS 33 2HB CYS 33 -0.978 -3.080 3.606 247 HB3 CYS 33 1HB CYS 33 -0.040 -2.160 4.758 248 H ASN 34 H ASN 34 3.019 -2.207 1.820 249 HA ASN 34 HA ASN 34 4.343 -0.788 4.042 250 HB2 ASN 34 2HB ASN 34 5.688 -1.764 1.509 251 HB3 ASN 34 1HB ASN 34 6.459 -1.065 2.921 252 HD21 ASN 34 1HD2 ASN 34 5.127 -3.837 1.488 253 HD22 ASN 34 2HD2 ASN 34 5.586 -4.997 2.674 254 H CYS 35 H CYS 35 4.845 1.340 3.646 255 HA CYS 35 HA CYS 35 4.008 2.390 1.035 256 HB2 CYS 35 2HB CYS 35 3.980 3.745 3.743 257 HB3 CYS 35 1HB CYS 35 3.516 4.494 2.225 258 H ARG 36 H ARG 36 5.498 3.390 -0.164 259 HA ARG 36 HA ARG 36 7.559 5.037 0.633 260 HB2 ARG 36 2HB ARG 36 8.544 3.014 1.725 261 HB3 ARG 36 1HB ARG 36 8.559 2.217 0.161 262 HG2 ARG 36 2HG ARG 36 10.094 3.995 -0.657 263 HG3 ARG 36 1HG ARG 36 10.145 4.617 0.996 264 HD2 ARG 36 2HD ARG 36 10.926 1.821 0.175 265 HD3 ARG 36 1HD ARG 36 12.068 3.131 0.462 266 HE ARG 36 HE ARG 36 10.886 3.132 2.772 267 HH11 ARG 36 1HH1 ARG 36 11.746 0.248 0.898 268 HH12 ARG 36 2HH1 ARG 36 12.024 -0.740 2.254 269 HH21 ARG 36 1HH2 ARG 36 11.303 1.786 4.643 270 HH22 ARG 36 2HH2 ARG 36 11.759 0.155 4.442 271 H ARG 37 H ARG 37 6.815 2.353 -1.569 272 HA ARG 37 HA ARG 37 8.309 3.500 -3.722 273 HB2 ARG 37 2HB ARG 37 6.543 1.061 -3.592 274 HB3 ARG 37 1HB ARG 37 7.490 1.527 -4.999 275 HG2 ARG 37 2HG ARG 37 9.531 1.337 -3.612 276 HG3 ARG 37 1HG ARG 37 8.476 0.822 -2.284 277 HD2 ARG 37 2HD ARG 37 9.538 -1.097 -3.461 278 HD3 ARG 37 1HD ARG 37 7.780 -1.131 -3.495 279 HE ARG 37 HE ARG 37 8.810 0.141 -5.805 280 HH11 ARG 37 1HH1 ARG 37 8.418 -3.075 -4.377 281 HH12 ARG 37 2HH1 ARG 37 8.301 -3.883 -5.865 282 HH21 ARG 37 1HH2 ARG 37 8.658 -1.004 -7.871 283 HH22 ARG 37 2HH2 ARG 37 8.463 -2.703 -7.890 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 -10.116 -0.711 5.642 2 H2 GLY 1 2HT GLY 1 -9.399 -2.232 5.422 3 H3 GLY 1 3HT GLY 1 -9.673 -1.259 4.095 4 HA2 GLY 1 1HA GLY 1 -8.083 0.343 4.911 5 HA3 GLY 1 2HA GLY 1 -7.800 -0.713 6.295 6 H ILE 2 H ILE 2 -5.636 -1.163 5.786 7 HA ILE 2 HA ILE 2 -4.936 -2.020 3.196 8 HB ILE 2 HB ILE 2 -2.751 -2.590 4.282 9 HG12 ILE 2 2HG1 ILE 2 -4.095 -1.378 6.727 10 HG13 ILE 2 1HG1 ILE 2 -3.540 -3.037 6.560 11 HG21 ILE 2 1HG2 ILE 2 -2.141 -0.233 4.591 12 HG22 ILE 2 2HG2 ILE 2 -3.858 0.183 4.620 13 HG23 ILE 2 3HG2 ILE 2 -3.142 -0.511 3.165 14 HD11 ILE 2 1HD1 ILE 2 -1.259 -2.293 6.453 15 HD12 ILE 2 2HD1 ILE 2 -2.036 -1.642 7.904 16 HD13 ILE 2 3HD1 ILE 2 -1.788 -0.613 6.485 17 H THR 3 H THR 3 -5.290 -3.854 2.378 18 HA THR 3 HA THR 3 -4.935 -6.317 3.881 19 HB THR 3 HB THR 3 -7.364 -5.928 2.087 20 HG1 THR 3 1HG THR 3 -6.942 -5.419 4.801 21 HG21 THR 3 1HG2 THR 3 -8.130 -7.995 3.202 22 HG22 THR 3 2HG2 THR 3 -6.615 -8.056 4.103 23 HG23 THR 3 3HG2 THR 3 -6.604 -8.225 2.350 24 H CYS 4 H CYS 4 -4.046 -7.898 2.505 25 HA CYS 4 HA CYS 4 -3.525 -6.872 -0.178 26 HB2 CYS 4 2HB CYS 4 -1.768 -8.625 1.502 27 HB3 CYS 4 1HB CYS 4 -1.409 -8.042 -0.124 28 H ASP 5 H ASP 5 -4.766 -7.858 -1.587 29 HA ASP 5 HA ASP 5 -4.992 -10.768 -1.458 30 HB2 ASP 5 2HB ASP 5 -7.082 -9.468 -1.843 31 HB3 ASP 5 1HB ASP 5 -6.353 -8.718 -3.248 32 H LEU 6 H LEU 6 -3.878 -8.012 -3.291 33 HA LEU 6 HA LEU 6 -2.281 -9.753 -4.979 34 HB2 LEU 6 2HB LEU 6 -3.168 -6.899 -5.336 35 HB3 LEU 6 1HB LEU 6 -1.988 -7.689 -6.358 36 HG LEU 6 HG LEU 6 -4.871 -8.507 -6.052 37 HD11 LEU 6 1HD1 LEU 6 -5.118 -7.679 -8.328 38 HD12 LEU 6 2HD1 LEU 6 -3.427 -7.205 -8.359 39 HD13 LEU 6 3HD1 LEU 6 -4.550 -6.384 -7.273 40 HD21 LEU 6 1HD2 LEU 6 -3.479 -10.424 -6.507 41 HD22 LEU 6 2HD2 LEU 6 -2.653 -9.550 -7.793 42 HD23 LEU 6 3HD2 LEU 6 -4.352 -9.979 -7.975 43 H ILE 7 H ILE 7 -0.239 -9.053 -5.413 44 HA ILE 7 HA ILE 7 1.123 -7.676 -3.220 45 HB ILE 7 HB ILE 7 2.163 -9.619 -5.316 46 HG12 ILE 7 2HG1 ILE 7 1.898 -9.910 -2.325 47 HG13 ILE 7 1HG1 ILE 7 0.772 -10.568 -3.490 48 HG21 ILE 7 1HG2 ILE 7 3.667 -8.277 -3.062 49 HG22 ILE 7 2HG2 ILE 7 3.885 -7.962 -4.782 50 HG23 ILE 7 3HG2 ILE 7 4.307 -9.539 -4.114 51 HD11 ILE 7 1HD1 ILE 7 2.369 -12.234 -2.623 52 HD12 ILE 7 2HD1 ILE 7 3.683 -11.296 -3.367 53 HD13 ILE 7 3HD1 ILE 7 2.442 -12.029 -4.371 54 H GLY 8 H GLY 8 1.799 -5.725 -3.638 55 HA2 GLY 8 2HA GLY 8 2.631 -3.874 -4.752 56 HA3 GLY 8 1HA GLY 8 2.897 -4.909 -6.141 57 H ASN 9 H ASN 9 0.122 -5.668 -6.445 58 HA ASN 9 HA ASN 9 -0.742 -3.275 -7.926 59 HB2 ASN 9 2HB ASN 9 -1.633 -6.158 -8.088 60 HB3 ASN 9 1HB ASN 9 -2.335 -4.870 -9.053 61 HD21 ASN 9 1HD2 ASN 9 -1.001 -7.288 -9.948 62 HD22 ASN 9 2HD2 ASN 9 0.334 -6.756 -10.882 63 H GLU 10 H GLU 10 -1.138 -4.181 -5.043 64 HA GLU 10 HA GLU 10 -3.979 -4.365 -4.815 65 HB2 GLU 10 2HB GLU 10 -2.546 -5.792 -3.517 66 HB3 GLU 10 1HB GLU 10 -1.768 -4.421 -2.766 67 HG2 GLU 10 2HG GLU 10 -3.320 -5.374 -1.302 68 HG3 GLU 10 1HG GLU 10 -3.897 -3.784 -1.830 69 H ARG 11 H ARG 11 -4.275 -2.389 -5.712 70 HA ARG 11 HA ARG 11 -3.377 0.083 -4.809 71 HB2 ARG 11 2HB ARG 11 -5.948 -0.521 -6.229 72 HB3 ARG 11 1HB ARG 11 -5.280 1.091 -6.004 73 HG2 ARG 11 2HG ARG 11 -3.243 0.329 -7.203 74 HG3 ARG 11 1HG ARG 11 -4.079 -1.180 -7.561 75 HD2 ARG 11 2HD ARG 11 -4.262 0.335 -9.435 76 HD3 ARG 11 1HD ARG 11 -5.847 0.090 -8.699 77 HE ARG 11 HE ARG 11 -4.645 2.325 -7.549 78 HH11 ARG 11 1HH1 ARG 11 -5.955 1.357 -10.676 79 HH12 ARG 11 2HH1 ARG 11 -6.523 2.897 -11.104 80 HH21 ARG 11 1HH2 ARG 11 -5.410 4.479 -8.100 81 HH22 ARG 11 2HH2 ARG 11 -6.200 4.735 -9.587 82 H LEU 12 H LEU 12 -6.016 -1.826 -3.546 83 HA LEU 12 HA LEU 12 -7.176 0.216 -1.962 84 HB2 LEU 12 2HB LEU 12 -7.147 -2.776 -1.619 85 HB3 LEU 12 1HB LEU 12 -8.070 -1.704 -0.586 86 HG LEU 12 HG LEU 12 -8.476 -1.990 -3.568 87 HD11 LEU 12 1HD1 LEU 12 -10.519 -3.178 -2.970 88 HD12 LEU 12 2HD1 LEU 12 -10.070 -3.082 -1.267 89 HD13 LEU 12 3HD1 LEU 12 -9.086 -4.024 -2.385 90 HD21 LEU 12 1HD2 LEU 12 -10.069 -0.543 -1.453 91 HD22 LEU 12 2HD2 LEU 12 -10.557 -0.759 -3.129 92 HD23 LEU 12 3HD2 LEU 12 -9.134 0.207 -2.749 93 H CYS 13 H CYS 13 -4.326 -1.621 -1.647 94 HA CYS 13 HA CYS 13 -3.922 -0.860 1.105 95 HB2 CYS 13 2HB CYS 13 -3.083 -3.003 0.532 96 HB3 CYS 13 1HB CYS 13 -2.283 -2.390 -0.917 97 H VAL 14 H VAL 14 -2.564 -0.226 -2.095 98 HA VAL 14 HA VAL 14 -0.548 1.579 -1.457 99 HB VAL 14 HB VAL 14 -2.258 1.672 -3.943 100 HG11 VAL 14 1HG1 VAL 14 -0.252 2.572 -5.047 101 HG12 VAL 14 2HG1 VAL 14 0.583 2.575 -3.492 102 HG13 VAL 14 3HG1 VAL 14 -0.823 3.612 -3.741 103 HG21 VAL 14 1HG2 VAL 14 0.213 0.018 -3.421 104 HG22 VAL 14 2HG2 VAL 14 -0.616 0.154 -4.974 105 HG23 VAL 14 3HG2 VAL 14 -1.429 -0.597 -3.599 106 H VAL 15 H VAL 15 -3.984 2.192 -2.042 107 HA VAL 15 HA VAL 15 -3.936 4.967 -2.117 108 HB VAL 15 HB VAL 15 -5.898 3.611 -2.762 109 HG11 VAL 15 1HG1 VAL 15 -6.345 3.263 0.183 110 HG12 VAL 15 2HG1 VAL 15 -5.919 2.002 -0.974 111 HG13 VAL 15 3HG1 VAL 15 -7.483 2.812 -1.088 112 HG21 VAL 15 1HG2 VAL 15 -6.521 5.681 -0.667 113 HG22 VAL 15 2HG2 VAL 15 -7.640 5.107 -1.905 114 HG23 VAL 15 3HG2 VAL 15 -6.187 5.996 -2.366 115 H HIS 16 H HIS 16 -3.737 2.843 0.628 116 HA HIS 16 HA HIS 16 -4.441 4.720 2.632 117 HB2 HIS 16 2HB HIS 16 -4.409 2.323 3.135 118 HB3 HIS 16 1HB HIS 16 -2.712 2.234 2.712 119 HD1 HIS 16 1HD HIS 16 -4.959 3.670 5.437 120 HD2 HIS 16 2HD HIS 16 -1.014 2.572 4.756 121 HE1 HIS 16 1HE HIS 16 -3.799 3.864 7.646 122 H CYS 17 H CYS 17 -1.450 3.810 1.097 123 HA CYS 17 HA CYS 17 0.294 5.542 2.599 124 HB2 CYS 17 2HB CYS 17 0.681 4.314 -0.121 125 HB3 CYS 17 1HB CYS 17 1.932 4.866 0.991 126 H LEU 18 H LEU 18 -1.432 5.745 -0.461 127 HA LEU 18 HA LEU 18 -0.278 8.205 -1.260 128 HB2 LEU 18 2HB LEU 18 -2.944 7.033 -2.046 129 HB3 LEU 18 1HB LEU 18 -2.094 8.307 -2.893 130 HG LEU 18 HG LEU 18 -1.231 5.431 -2.644 131 HD11 LEU 18 1HD1 LEU 18 -1.585 5.355 -5.056 132 HD12 LEU 18 2HD1 LEU 18 -2.192 7.010 -5.015 133 HD13 LEU 18 3HD1 LEU 18 -3.065 5.727 -4.176 134 HD21 LEU 18 1HD2 LEU 18 0.727 6.892 -2.653 135 HD22 LEU 18 2HD2 LEU 18 0.123 7.706 -4.099 136 HD23 LEU 18 3HD2 LEU 18 0.594 6.010 -4.173 137 H ALA 19 H ALA 19 -3.044 7.360 0.710 138 HA ALA 19 HA ALA 19 -4.058 10.000 0.947 139 HB1 ALA 19 1HB ALA 19 -4.410 7.625 2.768 140 HB2 ALA 19 2HB ALA 19 -5.428 8.023 1.384 141 HB3 ALA 19 3HB ALA 19 -5.382 9.096 2.784 142 H LYS 20 H LYS 20 -1.903 8.000 2.930 143 HA LYS 20 HA LYS 20 -1.516 9.892 4.984 144 HB2 LYS 20 2HB LYS 20 0.129 7.549 4.086 145 HB3 LYS 20 1HB LYS 20 0.702 8.616 5.356 146 HG2 LYS 20 2HG LYS 20 -1.371 8.100 6.641 147 HG3 LYS 20 1HG LYS 20 -1.805 6.943 5.389 148 HD2 LYS 20 2HD LYS 20 0.079 5.587 5.854 149 HD3 LYS 20 1HD LYS 20 0.797 6.823 6.890 150 HE2 LYS 20 2HE LYS 20 -0.950 6.558 8.512 151 HE3 LYS 20 1HE LYS 20 -1.833 5.468 7.448 152 HZ1 LYS 20 1HZ LYS 20 0.824 4.909 8.664 153 HZ2 LYS 20 2HZ LYS 20 -0.058 3.870 7.650 154 HZ3 LYS 20 3HZ LYS 20 -0.654 4.260 9.156 155 H GLY 21 H GLY 21 -0.042 9.568 1.884 156 HA2 GLY 21 2HA GLY 21 0.853 11.573 0.859 157 HA3 GLY 21 1HA GLY 21 1.441 12.056 2.450 158 H PHE 22 H PHE 22 1.605 9.147 0.531 159 HA PHE 22 HA PHE 22 4.493 9.131 0.892 160 HB2 PHE 22 2HB PHE 22 2.461 6.987 1.104 161 HB3 PHE 22 1HB PHE 22 3.984 6.467 0.429 162 HD1 PHE 22 1HD PHE 22 2.224 7.661 3.363 163 HD2 PHE 22 2HD PHE 22 5.969 6.604 1.694 164 HE1 PHE 22 1HE PHE 22 3.184 7.497 5.622 165 HE2 PHE 22 2HE PHE 22 6.935 6.426 3.842 166 HZ PHE 22 HZ PHE 22 5.563 6.877 5.893 167 H ARG 23 H ARG 23 5.715 8.246 -0.790 168 HA ARG 23 HA ARG 23 4.839 9.077 -3.388 169 HB2 ARG 23 2HB ARG 23 7.320 7.581 -2.512 170 HB3 ARG 23 1HB ARG 23 7.027 8.115 -4.155 171 HG2 ARG 23 2HG ARG 23 7.256 9.937 -1.767 172 HG3 ARG 23 1HG ARG 23 8.557 9.580 -2.902 173 HD2 ARG 23 2HD ARG 23 5.918 10.868 -3.596 174 HD3 ARG 23 1HD ARG 23 7.450 11.715 -3.404 175 HE ARG 23 HE ARG 23 7.680 9.642 -5.314 176 HH11 ARG 23 1HH1 ARG 23 6.250 12.863 -4.974 177 HH12 ARG 23 2HH1 ARG 23 6.440 13.262 -6.616 178 HH21 ARG 23 1HH2 ARG 23 7.903 10.172 -7.531 179 HH22 ARG 23 2HH2 ARG 23 7.404 11.685 -8.122 180 H GLY 24 H GLY 24 4.603 6.271 -1.521 181 HA2 GLY 24 2HA GLY 24 2.761 5.075 -3.099 182 HA3 GLY 24 1HA GLY 24 4.302 4.496 -3.711 183 H GLY 25 H GLY 25 2.243 3.008 -2.555 184 HA2 GLY 25 2HA GLY 25 3.686 1.856 -0.307 185 HA3 GLY 25 1HA GLY 25 1.932 2.064 -0.267 186 H TRP 26 H TRP 26 3.073 -0.459 -0.084 187 HA TRP 26 HA TRP 26 1.873 -1.680 -2.375 188 HB2 TRP 26 2HB TRP 26 3.813 -2.756 -3.293 189 HB3 TRP 26 1HB TRP 26 4.157 -1.035 -3.222 190 HD1 TRP 26 HD TRP 26 5.634 -4.290 -2.408 191 HE1 TRP 26 1HE TRP 26 7.719 -4.025 -0.898 192 HE3 TRP 26 3HE TRP 26 5.065 0.562 -0.979 193 HZ2 TRP 26 2HZ TRP 26 8.923 -2.093 0.690 194 HZ3 TRP 26 3HZ TRP 26 6.702 1.556 0.548 195 HH2 TRP 26 HH TRP 26 8.626 0.216 1.370 196 H CYS 27 H CYS 27 1.408 -3.771 -1.999 197 HA CYS 27 HA CYS 27 2.000 -4.923 0.582 198 HB2 CYS 27 2HB CYS 27 0.535 -5.970 -1.840 199 HB3 CYS 27 1HB CYS 27 0.760 -6.880 -0.353 200 H ASP 28 H ASP 28 3.813 -6.013 0.842 201 HA ASP 28 HA ASP 28 5.258 -6.812 -1.548 202 HB2 ASP 28 2HB ASP 28 7.174 -7.239 -0.157 203 HB3 ASP 28 1HB ASP 28 6.460 -5.743 0.416 204 H SER 29 H SER 29 6.471 -9.101 -1.033 205 HA SER 29 HA SER 29 4.536 -11.006 -1.625 206 HB2 SER 29 2HB SER 29 6.939 -11.112 -2.282 207 HB3 SER 29 1HB SER 29 7.343 -11.521 -0.620 208 HG SER 29 HG SER 29 5.857 -13.019 -2.501 209 H ARG 30 H ARG 30 5.650 -9.984 1.517 210 HA ARG 30 HA ARG 30 4.715 -12.342 2.924 211 HB2 ARG 30 2HB ARG 30 5.519 -9.625 3.948 212 HB3 ARG 30 1HB ARG 30 5.236 -11.051 4.929 213 HG2 ARG 30 2HG ARG 30 7.171 -12.108 4.140 214 HG3 ARG 30 1HG ARG 30 7.351 -10.957 2.806 215 HD2 ARG 30 2HD ARG 30 7.598 -10.345 5.744 216 HD3 ARG 30 1HD ARG 30 8.928 -10.426 4.579 217 HE ARG 30 HE ARG 30 7.061 -8.639 3.580 218 HH11 ARG 30 1HH1 ARG 30 9.306 -8.760 6.306 219 HH12 ARG 30 2HH1 ARG 30 9.411 -7.073 6.469 220 HH21 ARG 30 1HH2 ARG 30 7.107 -6.397 3.839 221 HH22 ARG 30 2HH2 ARG 30 8.116 -5.657 5.015 222 H LYS 31 H LYS 31 3.102 -9.964 1.380 223 HA LYS 31 HA LYS 31 0.954 -9.246 1.313 224 HB2 LYS 31 2HB LYS 31 0.475 -11.059 3.700 225 HB3 LYS 31 1HB LYS 31 -0.773 -10.295 2.736 226 HG2 LYS 31 2HG LYS 31 1.190 -12.316 1.658 227 HG3 LYS 31 1HG LYS 31 -0.404 -12.724 2.275 228 HD2 LYS 31 2HD LYS 31 -1.416 -11.294 0.517 229 HD3 LYS 31 1HD LYS 31 0.203 -10.950 -0.103 230 HE2 LYS 31 2HE LYS 31 0.573 -13.267 -0.617 231 HE3 LYS 31 1HE LYS 31 -0.925 -13.730 0.179 232 HZ1 LYS 31 1HZ LYS 31 -2.162 -12.602 -1.564 233 HZ2 LYS 31 2HZ LYS 31 -1.150 -13.748 -2.204 234 HZ3 LYS 31 3HZ LYS 31 -0.739 -12.138 -2.351 235 H VAL 32 H VAL 32 3.055 -8.050 2.966 236 HA VAL 32 HA VAL 32 1.524 -6.646 5.038 237 HB VAL 32 HB VAL 32 4.498 -6.538 4.428 238 HG11 VAL 32 1HG1 VAL 32 4.715 -5.473 6.627 239 HG12 VAL 32 2HG1 VAL 32 2.962 -5.498 6.811 240 HG13 VAL 32 3HG1 VAL 32 3.700 -4.520 5.542 241 HG21 VAL 32 1HG2 VAL 32 3.056 -8.038 6.603 242 HG22 VAL 32 2HG2 VAL 32 4.807 -7.901 6.425 243 HG23 VAL 32 3HG2 VAL 32 3.855 -8.748 5.203 244 H CYS 33 H CYS 33 0.973 -4.638 4.881 245 HA CYS 33 HA CYS 33 1.439 -3.251 2.413 246 HB2 CYS 33 2HB CYS 33 -0.406 -2.802 4.752 247 HB3 CYS 33 1HB CYS 33 -0.015 -1.501 3.632 248 H ASN 34 H ASN 34 3.159 -2.144 2.163 249 HA ASN 34 HA ASN 34 4.403 -0.816 4.489 250 HB2 ASN 34 2HB ASN 34 5.752 -1.571 1.885 251 HB3 ASN 34 1HB ASN 34 6.517 -1.045 3.370 252 HD21 ASN 34 1HD2 ASN 34 5.115 -3.665 1.641 253 HD22 ASN 34 2HD2 ASN 34 5.603 -4.942 2.692 254 H CYS 35 H CYS 35 4.669 1.402 4.243 255 HA CYS 35 HA CYS 35 4.134 2.534 1.571 256 HB2 CYS 35 2HB CYS 35 3.852 3.968 4.237 257 HB3 CYS 35 1HB CYS 35 3.409 4.567 2.654 258 H ARG 36 H ARG 36 5.969 3.354 0.608 259 HA ARG 36 HA ARG 36 7.888 4.947 1.800 260 HB2 ARG 36 2HB ARG 36 8.263 2.839 3.182 261 HB3 ARG 36 1HB ARG 36 8.894 2.118 1.714 262 HG2 ARG 36 2HG ARG 36 10.654 3.746 1.625 263 HG3 ARG 36 1HG ARG 36 10.001 4.562 3.052 264 HD2 ARG 36 2HD ARG 36 11.068 1.744 2.916 265 HD3 ARG 36 1HD ARG 36 11.834 3.111 3.720 266 HE ARG 36 HE ARG 36 9.837 3.155 5.192 267 HH11 ARG 36 1HH1 ARG 36 10.800 0.117 3.621 268 HH12 ARG 36 2HH1 ARG 36 10.028 -0.867 4.755 269 HH21 ARG 36 1HH2 ARG 36 8.783 1.780 6.754 270 HH22 ARG 36 2HH2 ARG 36 8.869 0.091 6.624 271 H ARG 37 H ARG 37 6.848 2.926 -0.820 272 HA ARG 37 HA ARG 37 9.271 3.560 -2.293 273 HB2 ARG 37 2HB ARG 37 7.108 1.522 -2.869 274 HB3 ARG 37 1HB ARG 37 8.333 1.961 -4.052 275 HG2 ARG 37 2HG ARG 37 8.706 0.651 -1.382 276 HG3 ARG 37 1HG ARG 37 8.940 -0.069 -2.974 277 HD2 ARG 37 2HD ARG 37 10.597 2.103 -1.684 278 HD3 ARG 37 1HD ARG 37 11.079 0.450 -2.032 279 HE ARG 37 HE ARG 37 10.368 1.494 -4.457 280 HH11 ARG 37 1HH1 ARG 37 12.755 2.290 -1.988 281 HH12 ARG 37 2HH1 ARG 37 13.825 3.072 -3.070 282 HH21 ARG 37 1HH2 ARG 37 11.815 2.493 -5.938 283 HH22 ARG 37 2HH2 ARG 37 13.285 3.162 -5.408
Contact the webmaster for help, if required. Tuesday, May 7, 2024 10:34:50 AM GMT (wattos1)