NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20633 | 2g9o | 7069 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASN 1 1HT ASN 1 -11.240 -14.491 -7.494 2 HA ASN 1 HA ASN 1 -12.133 -12.269 -9.291 3 1HB ASN 1 1HB ASN 1 -14.369 -12.507 -8.371 4 2HB ASN 1 2HB ASN 1 -13.834 -14.017 -9.100 5 1HD2 ASN 1 1HD2 ASN 1 -13.684 -12.444 -5.809 6 2HD2 ASN 1 2HD2 ASN 1 -14.154 -13.945 -4.984 7 H ASP 2 H ASP 2 -10.074 -12.516 -7.002 8 HA ASP 2 HA ASP 2 -10.862 -10.733 -4.905 9 1HB ASP 2 1HB ASP 2 -8.275 -10.609 -4.680 10 2HB ASP 2 2HB ASP 2 -9.090 -12.114 -4.326 11 H SER 3 H SER 3 -9.963 -8.640 -4.488 12 HA SER 3 HA SER 3 -9.989 -6.879 -6.847 13 1HB SER 3 1HB SER 3 -9.530 -6.138 -3.951 14 2HB SER 3 2HB SER 3 -10.156 -5.121 -5.244 15 HG SER 3 HG SER 3 -12.127 -6.327 -5.117 16 H THR 4 H THR 4 -8.218 -5.338 -7.139 17 HA THR 4 HA THR 4 -5.779 -5.616 -5.581 18 HB THR 4 HB THR 4 -5.943 -6.608 -8.427 19 HG1 THR 4 HG1 THR 4 -5.914 -7.888 -6.402 20 1HG2 THR 4 1HG2 THR 4 -4.090 -4.970 -8.557 21 2HG2 THR 4 2HG2 THR 4 -3.464 -6.623 -8.505 22 3HG2 THR 4 3HG2 THR 4 -3.402 -5.623 -7.042 23 H ALA 5 H ALA 5 -4.411 -3.878 -5.858 24 HA ALA 5 HA ALA 5 -4.993 -1.702 -7.704 25 1HB ALA 5 1HB ALA 5 -5.423 -1.413 -4.700 26 2HB ALA 5 2HB ALA 5 -5.260 -0.036 -5.807 27 3HB ALA 5 3HB ALA 5 -6.626 -1.163 -5.981 28 H THR 6 H THR 6 -3.398 0.052 -7.484 29 HA THR 6 HA THR 6 -0.790 -0.832 -6.322 30 HB THR 6 HB THR 6 -1.224 0.591 -8.950 31 HG1 THR 6 HG1 THR 6 -0.622 -1.401 -9.819 32 1HG2 THR 6 1HG2 THR 6 1.170 0.086 -9.320 33 2HG2 THR 6 2HG2 THR 6 1.267 -0.614 -7.681 34 3HG2 THR 6 3HG2 THR 6 0.928 1.115 -7.900 35 H PHE 7 H PHE 7 0.428 0.696 -5.423 36 HA PHE 7 HA PHE 7 -0.550 3.484 -5.263 37 1HB PHE 7 1HB PHE 7 0.234 1.910 -2.812 38 2HB PHE 7 2HB PHE 7 -0.449 3.497 -2.893 39 HD1 PHE 7 HD1 PHE 7 -1.402 -0.141 -3.372 40 HD2 PHE 7 HD2 PHE 7 -2.844 3.936 -3.008 41 HE1 PHE 7 HE1 PHE 7 -3.677 -0.946 -3.395 42 HE2 PHE 7 HE2 PHE 7 -5.144 3.089 -3.143 43 HZ PHE 7 HZ PHE 7 -5.590 0.659 -3.311 44 H ILE 8 H ILE 8 1.137 4.960 -5.225 45 HA ILE 8 HA ILE 8 3.889 4.016 -4.575 46 HB ILE 8 HB ILE 8 3.487 4.219 -6.997 47 1HG1 ILE 8 1HG1 ILE 8 5.320 6.500 -6.195 48 2HG1 ILE 8 2HG1 ILE 8 5.657 4.825 -5.774 49 1HG2 ILE 8 1HG2 ILE 8 3.128 6.370 -8.118 50 2HG2 ILE 8 2HG2 ILE 8 1.776 5.942 -7.080 51 3HG2 ILE 8 3HG2 ILE 8 2.946 7.169 -6.544 52 1HD1 ILE 8 1HD1 ILE 8 5.309 5.803 -8.623 53 2HD1 ILE 8 2HD1 ILE 8 6.845 5.428 -7.819 54 3HD1 ILE 8 3HD1 ILE 8 5.667 4.135 -8.104 55 H ILE 9 H ILE 9 5.132 5.212 -3.350 56 HA ILE 9 HA ILE 9 3.746 7.443 -1.988 57 HB ILE 9 HB ILE 9 6.003 5.796 -0.834 58 1HG1 ILE 9 1HG1 ILE 9 4.256 4.599 0.517 59 2HG1 ILE 9 2HG1 ILE 9 3.041 5.115 -0.559 60 1HG2 ILE 9 1HG2 ILE 9 5.014 6.708 1.266 61 2HG2 ILE 9 2HG2 ILE 9 5.554 7.980 0.183 62 3HG2 ILE 9 3HG2 ILE 9 3.829 7.633 0.292 63 1HD1 ILE 9 1HD1 ILE 9 5.562 3.471 -1.134 64 2HD1 ILE 9 2HD1 ILE 9 4.002 2.763 -0.685 65 3HD1 ILE 9 3HD1 ILE 9 4.150 3.591 -2.241 66 H ASP 10 H ASP 10 4.742 9.467 -2.150 67 HA ASP 10 HA ASP 10 7.716 9.466 -2.569 68 1HB ASP 10 1HB ASP 10 6.422 10.896 -4.133 69 2HB ASP 10 2HB ASP 10 5.927 11.897 -2.780 70 H GLY 11 H GLY 11 8.996 9.721 -0.880 71 1HA GLY 11 1HA GLY 11 9.726 11.221 0.914 72 2HA GLY 11 2HA GLY 11 8.057 11.236 1.538 73 H MET 12 H MET 12 8.597 8.130 0.547 74 HA MET 12 HA MET 12 8.810 7.152 3.211 75 1HB MET 12 1HB MET 12 8.437 5.048 2.258 76 2HB MET 12 2HB MET 12 7.748 6.065 1.101 77 1HG MET 12 1HG MET 12 10.099 6.012 -0.041 78 2HG MET 12 2HG MET 12 10.339 4.568 0.953 79 1HE MET 12 1HE MET 12 7.085 3.503 0.687 80 2HE MET 12 2HE MET 12 7.566 2.190 -0.408 81 3HE MET 12 3HE MET 12 8.595 2.599 0.988 82 H HIS 13 H HIS 13 10.408 6.059 4.336 83 HA HIS 13 HA HIS 13 13.155 6.797 3.879 84 1HB HIS 13 1HB HIS 13 12.042 4.722 5.763 85 2HB HIS 13 2HB HIS 13 13.614 5.484 5.863 86 HD1 HIS 13 HD1 HIS 13 12.520 5.855 8.445 87 HD2 HIS 13 HD2 HIS 13 11.124 8.264 5.294 88 HE1 HIS 13 HE1 HIS 13 11.433 7.903 9.510 89 H CYS 14 H CYS 14 12.078 5.280 1.666 90 HA CYS 14 HA CYS 14 12.853 3.812 0.096 91 1HB CYS 14 1HB CYS 14 14.901 5.135 0.837 92 2HB CYS 14 2HB CYS 14 15.383 3.726 1.783 93 HG CYS 14 HG CYS 14 16.760 3.933 -0.497 94 H LYS 15 H LYS 15 14.866 1.673 0.830 95 HA LYS 15 HA LYS 15 13.098 -0.499 0.685 96 1HB LYS 15 1HB LYS 15 16.063 -0.316 1.089 97 2HB LYS 15 2HB LYS 15 15.183 -1.857 0.925 98 1HG LYS 15 1HG LYS 15 14.127 -1.079 -1.158 99 2HG LYS 15 2HG LYS 15 14.984 0.465 -1.055 100 1HD LYS 15 1HD LYS 15 17.131 -0.660 -1.354 101 2HD LYS 15 2HD LYS 15 16.311 -2.230 -1.242 102 1HE LYS 15 1HE LYS 15 16.926 -1.469 -3.623 103 2HE LYS 15 2HE LYS 15 15.257 -1.990 -3.369 104 1HZ LYS 15 1HZ LYS 15 15.301 0.098 -4.618 105 2HZ LYS 15 2HZ LYS 15 16.099 0.865 -3.401 106 3HZ LYS 15 3HZ LYS 15 14.563 0.268 -3.218 107 H SER 16 H SER 16 14.002 1.021 3.677 108 HA SER 16 HA SER 16 13.001 -1.370 5.193 109 1HB SER 16 1HB SER 16 13.522 0.025 7.191 110 2HB SER 16 2HB SER 16 14.937 -0.344 6.184 111 HG SER 16 HG SER 16 14.919 1.862 6.744 112 H CYS 17 H CYS 17 11.975 2.127 4.477 113 HA CYS 17 HA CYS 17 9.437 1.906 5.809 114 1HB CYS 17 1HB CYS 17 10.752 3.605 3.827 115 2HB CYS 17 2HB CYS 17 9.106 3.443 3.456 116 HG CYS 17 HG CYS 17 8.040 4.271 5.657 117 H VAL 18 H VAL 18 10.415 1.090 2.514 118 HA VAL 18 HA VAL 18 8.213 -0.039 1.364 119 HB VAL 18 HB VAL 18 11.126 -0.776 1.376 120 1HG1 VAL 18 1HG1 VAL 18 10.840 -2.211 -0.570 121 2HG1 VAL 18 2HG1 VAL 18 10.103 -2.936 0.870 122 3HG1 VAL 18 3HG1 VAL 18 9.099 -2.136 -0.365 123 1HG2 VAL 18 1HG2 VAL 18 9.294 0.280 -0.827 124 2HG2 VAL 18 2HG2 VAL 18 10.295 1.305 0.204 125 3HG2 VAL 18 3HG2 VAL 18 11.064 0.149 -0.885 126 H SER 19 H SER 19 10.226 -1.871 3.851 127 HA SER 19 HA SER 19 8.315 -4.073 3.646 128 1HB SER 19 1HB SER 19 10.858 -4.224 3.943 129 2HB SER 19 2HB SER 19 10.560 -3.890 5.654 130 HG SER 19 HG SER 19 9.300 -5.953 4.058 131 H ASN 20 H ASN 20 8.622 -1.356 5.859 132 HA ASN 20 HA ASN 20 6.834 -2.307 7.944 133 1HB ASN 20 1HB ASN 20 7.021 0.441 6.686 134 2HB ASN 20 2HB ASN 20 6.097 0.083 8.074 135 1HD2 ASN 20 1HD2 ASN 20 9.486 0.190 6.924 136 2HD2 ASN 20 2HD2 ASN 20 9.982 0.812 8.486 137 H ILE 21 H ILE 21 6.410 -1.051 4.673 138 HA ILE 21 HA ILE 21 3.544 -0.717 4.819 139 HB ILE 21 HB ILE 21 4.965 -1.128 2.198 140 1HG1 ILE 21 1HG1 ILE 21 5.801 1.094 4.100 141 2HG1 ILE 21 2HG1 ILE 21 6.533 0.251 2.761 142 1HG2 ILE 21 1HG2 ILE 21 2.718 0.706 3.086 143 2HG2 ILE 21 2HG2 ILE 21 3.287 0.446 1.408 144 3HG2 ILE 21 3HG2 ILE 21 2.534 -0.865 2.286 145 1HD1 ILE 21 1HD1 ILE 21 6.214 2.569 2.266 146 2HD1 ILE 21 2HD1 ILE 21 5.515 1.471 1.062 147 3HD1 ILE 21 3HD1 ILE 21 4.470 2.331 2.207 148 H GLU 22 H GLU 22 5.631 -3.373 3.497 149 HA GLU 22 HA GLU 22 3.632 -5.167 2.663 150 1HB GLU 22 1HB GLU 22 6.281 -5.629 4.102 151 2HB GLU 22 2HB GLU 22 5.306 -6.909 3.429 152 1HG GLU 22 1HG GLU 22 5.551 -6.042 1.182 153 2HG GLU 22 2HG GLU 22 6.396 -4.619 1.772 154 H SER 23 H SER 23 5.042 -4.749 5.938 155 HA SER 23 HA SER 23 3.310 -6.652 7.187 156 1HB SER 23 1HB SER 23 4.933 -4.311 8.324 157 2HB SER 23 2HB SER 23 4.203 -5.609 9.298 158 HG SER 23 HG SER 23 6.314 -5.821 7.400 159 H THR 24 H THR 24 2.975 -3.118 7.010 160 HA THR 24 HA THR 24 0.754 -3.008 8.854 161 HB THR 24 HB THR 24 1.822 -0.917 6.856 162 HG1 THR 24 HG1 THR 24 3.266 -1.428 8.384 163 1HG2 THR 24 1HG2 THR 24 -0.495 -0.337 7.496 164 2HG2 THR 24 2HG2 THR 24 0.665 0.710 8.325 165 3HG2 THR 24 3HG2 THR 24 -0.108 -0.624 9.209 166 H LEU 25 H LEU 25 1.030 -3.120 5.333 167 HA LEU 25 HA LEU 25 -1.854 -2.966 4.953 168 1HB LEU 25 1HB LEU 25 0.494 -3.665 3.196 169 2HB LEU 25 2HB LEU 25 -1.144 -3.822 2.617 170 HG LEU 25 HG LEU 25 0.259 -1.638 2.117 171 1HD1 LEU 25 1HD1 LEU 25 -1.927 -2.060 1.266 172 2HD1 LEU 25 2HD1 LEU 25 -1.899 -0.411 1.900 173 3HD1 LEU 25 3HD1 LEU 25 -2.690 -1.693 2.831 174 1HD2 LEU 25 1HD2 LEU 25 -1.025 -0.835 4.772 175 2HD2 LEU 25 2HD2 LEU 25 -0.318 0.255 3.605 176 3HD2 LEU 25 3HD2 LEU 25 0.723 -0.902 4.421 177 H SER 26 H SER 26 0.538 -5.737 5.016 178 HA SER 26 HA SER 26 -1.581 -7.573 4.247 179 1HB SER 26 1HB SER 26 0.833 -7.960 3.782 180 2HB SER 26 2HB SER 26 1.125 -8.154 5.499 181 HG SER 26 HG SER 26 -0.516 -9.837 5.409 182 H ALA 27 H ALA 27 -1.826 -5.894 6.836 183 HA ALA 27 HA ALA 27 -2.568 -8.107 8.726 184 1HB ALA 27 1HB ALA 27 -1.879 -5.174 9.264 185 2HB ALA 27 2HB ALA 27 -2.324 -6.384 10.489 186 3HB ALA 27 3HB ALA 27 -0.815 -6.560 9.570 187 H LEU 28 H LEU 28 -3.937 -6.058 6.415 188 HA LEU 28 HA LEU 28 -6.015 -4.964 8.082 189 1HB LEU 28 1HB LEU 28 -5.699 -4.967 5.062 190 2HB LEU 28 2HB LEU 28 -6.878 -4.025 5.965 191 HG LEU 28 HG LEU 28 -3.898 -3.718 6.499 192 1HD1 LEU 28 1HD1 LEU 28 -3.716 -1.984 4.927 193 2HD1 LEU 28 2HD1 LEU 28 -5.435 -1.925 4.598 194 3HD1 LEU 28 3HD1 LEU 28 -4.458 -3.308 4.027 195 1HD2 LEU 28 1HD2 LEU 28 -4.581 -1.494 7.268 196 2HD2 LEU 28 2HD2 LEU 28 -5.431 -2.761 8.171 197 3HD2 LEU 28 3HD2 LEU 28 -6.285 -1.874 6.885 198 H GLN 29 H GLN 29 -7.942 -5.754 8.558 199 HA GLN 29 HA GLN 29 -8.729 -8.363 8.152 200 1HB GLN 29 1HB GLN 29 -9.405 -6.642 9.913 201 2HB GLN 29 2HB GLN 29 -10.578 -6.015 8.758 202 1HG GLN 29 1HG GLN 29 -11.601 -7.504 10.434 203 2HG GLN 29 2HG GLN 29 -11.812 -8.149 8.821 204 1HE2 GLN 29 1HE2 GLN 29 -11.713 -10.416 9.033 205 2HE2 GLN 29 2HE2 GLN 29 -10.459 -11.213 9.993 206 H TYR 30 H TYR 30 -8.845 -6.189 5.645 207 HA TYR 30 HA TYR 30 -10.868 -7.792 4.142 208 1HB TYR 30 1HB TYR 30 -11.059 -5.705 2.687 209 2HB TYR 30 2HB TYR 30 -11.801 -5.678 4.274 210 HD1 TYR 30 HD1 TYR 30 -8.164 -4.920 3.277 211 HD2 TYR 30 HD2 TYR 30 -11.865 -3.498 5.013 212 HE1 TYR 30 HE1 TYR 30 -7.132 -2.789 3.739 213 HE2 TYR 30 HE2 TYR 30 -10.757 -1.343 5.566 214 HH TYR 30 HH TYR 30 -7.365 -0.641 4.660 215 H VAL 31 H VAL 31 -7.509 -7.534 4.336 216 HA VAL 31 HA VAL 31 -7.192 -7.377 1.364 217 HB VAL 31 HB VAL 31 -5.829 -5.776 2.701 218 1HG1 VAL 31 1HG1 VAL 31 -5.182 -7.023 4.491 219 2HG1 VAL 31 2HG1 VAL 31 -4.377 -8.273 3.471 220 3HG1 VAL 31 3HG1 VAL 31 -3.762 -6.609 3.511 221 1HG2 VAL 31 1HG2 VAL 31 -3.784 -6.026 1.389 222 2HG2 VAL 31 2HG2 VAL 31 -4.138 -7.707 1.042 223 3HG2 VAL 31 3HG2 VAL 31 -5.158 -6.403 0.349 224 H SER 32 H SER 32 -6.144 -8.942 0.188 225 HA SER 32 HA SER 32 -6.335 -11.710 1.291 226 1HB SER 32 1HB SER 32 -7.676 -10.823 -0.712 227 2HB SER 32 2HB SER 32 -6.145 -10.753 -1.585 228 HG SER 32 HG SER 32 -7.018 -12.688 -2.060 229 H SER 33 H SER 33 -4.063 -9.377 -0.079 230 HA SER 33 HA SER 33 -1.623 -10.725 0.512 231 1HB SER 33 1HB SER 33 -2.938 -11.368 -2.080 232 2HB SER 33 2HB SER 33 -1.225 -11.106 -2.147 233 HG SER 33 HG SER 33 -2.586 -12.846 -0.355 234 H ILE 34 H ILE 34 0.148 -9.862 -1.002 235 HA ILE 34 HA ILE 34 0.017 -7.228 -2.110 236 HB ILE 34 HB ILE 34 -0.412 -6.568 0.220 237 1HG1 ILE 34 1HG1 ILE 34 2.459 -5.804 -0.439 238 2HG1 ILE 34 2HG1 ILE 34 1.055 -5.160 -1.298 239 1HG2 ILE 34 1HG2 ILE 34 1.218 -6.943 2.022 240 2HG2 ILE 34 2HG2 ILE 34 0.634 -8.486 1.409 241 3HG2 ILE 34 3HG2 ILE 34 2.243 -7.894 0.945 242 1HD1 ILE 34 1HD1 ILE 34 0.166 -4.287 0.842 243 2HD1 ILE 34 2HD1 ILE 34 1.636 -4.835 1.672 244 3HD1 ILE 34 3HD1 ILE 34 1.743 -3.592 0.417 245 H VAL 35 H VAL 35 1.916 -6.584 -2.991 246 HA VAL 35 HA VAL 35 4.497 -7.844 -2.268 247 HB VAL 35 HB VAL 35 3.369 -7.672 -5.108 248 1HG1 VAL 35 1HG1 VAL 35 6.308 -7.976 -4.332 249 2HG1 VAL 35 2HG1 VAL 35 5.648 -8.311 -5.948 250 3HG1 VAL 35 3HG1 VAL 35 5.584 -6.675 -5.309 251 1HG2 VAL 35 1HG2 VAL 35 3.038 -9.838 -3.934 252 2HG2 VAL 35 2HG2 VAL 35 4.270 -10.056 -5.185 253 3HG2 VAL 35 3HG2 VAL 35 4.765 -9.855 -3.482 254 H VAL 36 H VAL 36 6.043 -6.357 -2.160 255 HA VAL 36 HA VAL 36 5.305 -3.588 -3.059 256 HB VAL 36 HB VAL 36 5.653 -3.916 -0.619 257 1HG1 VAL 36 1HG1 VAL 36 7.904 -4.028 0.222 258 2HG1 VAL 36 2HG1 VAL 36 7.595 -5.438 -0.825 259 3HG1 VAL 36 3HG1 VAL 36 8.578 -4.087 -1.423 260 1HG2 VAL 36 1HG2 VAL 36 7.473 -1.874 -1.949 261 2HG2 VAL 36 2HG2 VAL 36 5.735 -1.701 -1.675 262 3HG2 VAL 36 3HG2 VAL 36 6.809 -1.809 -0.295 263 H SER 37 H SER 37 6.667 -2.367 -4.285 264 HA SER 37 HA SER 37 8.403 -3.867 -6.118 265 1HB SER 37 1HB SER 37 7.932 -0.864 -6.012 266 2HB SER 37 2HB SER 37 8.479 -1.854 -7.364 267 HG SER 37 HG SER 37 6.260 -2.817 -7.203 268 H LEU 38 H LEU 38 10.105 -4.506 -4.649 269 HA LEU 38 HA LEU 38 11.285 -3.038 -2.701 270 1HB LEU 38 1HB LEU 38 11.501 -5.546 -3.497 271 2HB LEU 38 2HB LEU 38 12.890 -4.961 -4.424 272 HG LEU 38 HG LEU 38 13.364 -6.110 -2.246 273 1HD1 LEU 38 1HD1 LEU 38 14.406 -3.294 -2.229 274 2HD1 LEU 38 2HD1 LEU 38 14.940 -4.492 -3.440 275 3HD1 LEU 38 3HD1 LEU 38 15.230 -4.762 -1.701 276 1HD2 LEU 38 1HD2 LEU 38 11.520 -4.922 -0.937 277 2HD2 LEU 38 2HD2 LEU 38 12.563 -3.474 -0.979 278 3HD2 LEU 38 3HD2 LEU 38 13.119 -4.939 -0.155 279 H GLU 39 H GLU 39 12.371 -3.064 -6.091 280 HA GLU 39 HA GLU 39 14.672 -1.556 -5.737 281 1HB GLU 39 1HB GLU 39 13.893 -2.855 -7.788 282 2HB GLU 39 2HB GLU 39 12.720 -1.590 -8.095 283 1HG GLU 39 1HG GLU 39 14.695 0.035 -8.256 284 2HG GLU 39 2HG GLU 39 15.752 -1.390 -8.222 285 H ASN 40 H ASN 40 11.353 -0.656 -6.142 286 HA ASN 40 HA ASN 40 11.754 2.253 -6.555 287 1HB ASN 40 1HB ASN 40 9.788 0.202 -7.514 288 2HB ASN 40 2HB ASN 40 9.223 1.860 -7.339 289 1HD2 ASN 40 1HD2 ASN 40 11.451 -0.227 -9.078 290 2HD2 ASN 40 2HD2 ASN 40 12.251 0.983 -9.966 291 H ARG 41 H ARG 41 9.384 3.154 -5.991 292 HA ARG 41 HA ARG 41 9.129 3.012 -3.050 293 1HB ARG 41 1HB ARG 41 8.429 5.434 -3.253 294 2HB ARG 41 2HB ARG 41 10.071 5.075 -3.683 295 1HG ARG 41 1HG ARG 41 8.552 4.901 -6.117 296 2HG ARG 41 2HG ARG 41 7.923 6.299 -5.264 297 1HD ARG 41 1HD ARG 41 10.921 5.891 -5.467 298 2HD ARG 41 2HD ARG 41 10.034 6.415 -6.871 299 HE ARG 41 HE ARG 41 9.150 8.141 -4.875 300 1HH1 ARG 41 1HH1 ARG 41 12.378 7.365 -6.081 301 2HH1 ARG 41 2HH1 ARG 41 12.983 8.966 -5.750 302 1HH2 ARG 41 1HH2 ARG 41 10.065 10.233 -4.400 303 2HH2 ARG 41 2HH2 ARG 41 11.719 10.494 -4.772 304 H SER 42 H SER 42 7.573 1.189 -4.717 305 HA SER 42 HA SER 42 4.814 2.173 -4.135 306 1HB SER 42 1HB SER 42 4.170 1.094 -6.372 307 2HB SER 42 2HB SER 42 5.045 2.606 -6.460 308 HG SER 42 HG SER 42 6.087 -0.024 -6.914 309 H ALA 43 H ALA 43 3.164 0.517 -4.382 310 HA ALA 43 HA ALA 43 3.975 -2.292 -3.822 311 1HB ALA 43 1HB ALA 43 3.719 -1.147 -1.601 312 2HB ALA 43 2HB ALA 43 2.079 -0.624 -2.072 313 3HB ALA 43 3HB ALA 43 2.479 -2.359 -1.872 314 H ILE 44 H ILE 44 2.604 -3.784 -4.494 315 HA ILE 44 HA ILE 44 0.066 -3.014 -5.893 316 HB ILE 44 HB ILE 44 1.918 -5.383 -6.381 317 1HG1 ILE 44 1HG1 ILE 44 1.216 -3.040 -8.218 318 2HG1 ILE 44 2HG1 ILE 44 2.717 -3.143 -7.301 319 1HG2 ILE 44 1HG2 ILE 44 -0.490 -5.964 -6.623 320 2HG2 ILE 44 2HG2 ILE 44 -0.710 -4.592 -7.730 321 3HG2 ILE 44 3HG2 ILE 44 0.315 -5.972 -8.185 322 1HD1 ILE 44 1HD1 ILE 44 3.169 -3.836 -9.546 323 2HD1 ILE 44 2HD1 ILE 44 3.283 -5.268 -8.502 324 3HD1 ILE 44 3HD1 ILE 44 1.852 -5.015 -9.534 325 H VAL 45 H VAL 45 -1.631 -3.581 -4.717 326 HA VAL 45 HA VAL 45 -1.269 -5.421 -2.359 327 HB VAL 45 HB VAL 45 -2.993 -2.968 -2.537 328 1HG1 VAL 45 1HG1 VAL 45 -3.720 -4.716 -0.897 329 2HG1 VAL 45 2HG1 VAL 45 -2.094 -4.718 -0.183 330 3HG1 VAL 45 3HG1 VAL 45 -3.133 -3.285 -0.062 331 1HG2 VAL 45 1HG2 VAL 45 -0.676 -2.187 -2.612 332 2HG2 VAL 45 2HG2 VAL 45 -1.387 -1.835 -1.038 333 3HG2 VAL 45 3HG2 VAL 45 -0.266 -3.200 -1.224 334 H VAL 46 H VAL 46 -2.839 -6.980 -2.141 335 HA VAL 46 HA VAL 46 -4.938 -7.141 -4.274 336 HB VAL 46 HB VAL 46 -3.358 -9.318 -2.858 337 1HG1 VAL 46 1HG1 VAL 46 -4.202 -10.915 -4.367 338 2HG1 VAL 46 2HG1 VAL 46 -5.596 -10.086 -3.663 339 3HG1 VAL 46 3HG1 VAL 46 -5.087 -9.683 -5.314 340 1HG2 VAL 46 1HG2 VAL 46 -2.885 -8.217 -5.641 341 2HG2 VAL 46 2HG2 VAL 46 -1.782 -8.164 -4.254 342 3HG2 VAL 46 3HG2 VAL 46 -2.174 -9.712 -4.999 343 H TYR 47 H TYR 47 -6.964 -6.968 -3.336 344 HA TYR 47 HA TYR 47 -7.387 -7.861 -0.518 345 1HB TYR 47 1HB TYR 47 -8.566 -5.888 0.071 346 2HB TYR 47 2HB TYR 47 -6.996 -5.457 -0.507 347 HD1 TYR 47 HD1 TYR 47 -6.752 -4.709 -3.003 348 HD2 TYR 47 HD2 TYR 47 -10.454 -4.676 -0.804 349 HE1 TYR 47 HE1 TYR 47 -7.674 -3.072 -4.605 350 HE2 TYR 47 HE2 TYR 47 -11.383 -3.009 -2.396 351 HH TYR 47 HH TYR 47 -9.495 -1.874 -5.245 352 H ASN 48 H ASN 48 -10.267 -7.404 -0.330 353 HA ASN 48 HA ASN 48 -11.251 -8.675 -2.830 354 1HB ASN 48 1HB ASN 48 -10.420 -10.443 -1.121 355 2HB ASN 48 2HB ASN 48 -11.880 -10.055 -0.209 356 1HD2 ASN 48 1HD2 ASN 48 -10.607 -12.066 -2.601 357 2HD2 ASN 48 2HD2 ASN 48 -12.108 -12.526 -3.376 358 H ALA 49 H ALA 49 -12.952 -7.877 -3.532 359 HA ALA 49 HA ALA 49 -15.356 -7.027 -2.197 360 1HB ALA 49 1HB ALA 49 -13.157 -5.013 -2.872 361 2HB ALA 49 2HB ALA 49 -14.852 -4.546 -2.597 362 3HB ALA 49 3HB ALA 49 -13.907 -5.268 -1.283 363 H SER 50 H SER 50 -16.942 -6.764 -3.812 364 HA SER 50 HA SER 50 -16.201 -6.695 -6.671 365 1HB SER 50 1HB SER 50 -18.709 -6.490 -6.906 366 2HB SER 50 2HB SER 50 -18.163 -7.964 -6.085 367 HG SER 50 HG SER 50 -19.978 -6.669 -5.103 368 H SER 51 H SER 51 -17.661 -4.507 -4.239 369 HA SER 51 HA SER 51 -17.621 -2.149 -5.873 370 1HB SER 51 1HB SER 51 -17.541 -2.402 -2.842 371 2HB SER 51 2HB SER 51 -17.967 -0.953 -3.779 372 HG SER 51 HG SER 51 -19.824 -2.073 -3.116 373 H VAL 52 H VAL 52 -15.428 -2.644 -6.793 374 HA VAL 52 HA VAL 52 -12.973 -2.435 -5.668 375 HB VAL 52 HB VAL 52 -13.818 -0.881 -8.151 376 1HG1 VAL 52 1HG1 VAL 52 -11.419 -1.101 -8.831 377 2HG1 VAL 52 2HG1 VAL 52 -11.595 -0.093 -7.399 378 3HG1 VAL 52 3HG1 VAL 52 -11.035 -1.771 -7.233 379 1HG2 VAL 52 1HG2 VAL 52 -12.693 -3.698 -7.808 380 2HG2 VAL 52 2HG2 VAL 52 -14.331 -3.270 -8.350 381 3HG2 VAL 52 3HG2 VAL 52 -12.944 -2.875 -9.363 382 H THR 53 H THR 53 -12.354 -1.310 -4.011 383 HA THR 53 HA THR 53 -12.717 1.660 -3.856 384 HB THR 53 HB THR 53 -13.213 -0.322 -1.609 385 HG1 THR 53 HG1 THR 53 -14.897 -0.271 -3.084 386 1HG2 THR 53 1HG2 THR 53 -13.488 2.722 -1.762 387 2HG2 THR 53 2HG2 THR 53 -12.352 1.824 -0.724 388 3HG2 THR 53 3HG2 THR 53 -14.091 1.702 -0.440 389 HA PRO 54 HA PRO 54 -8.313 0.462 -3.067 390 1HB PRO 54 1HB PRO 54 -7.052 2.300 -4.622 391 2HB PRO 54 2HB PRO 54 -7.859 0.862 -5.311 392 1HG PRO 54 1HG PRO 54 -9.002 3.667 -5.054 393 2HG PRO 54 2HG PRO 54 -8.936 2.632 -6.519 394 1HD PRO 54 1HD PRO 54 -11.145 2.754 -4.927 395 2HD PRO 54 2HD PRO 54 -10.646 1.223 -5.702 396 H GLU 55 H GLU 55 -10.043 3.467 -2.480 397 HA GLU 55 HA GLU 55 -8.067 5.084 -1.314 398 1HB GLU 55 1HB GLU 55 -11.048 4.800 -1.116 399 2HB GLU 55 2HB GLU 55 -10.278 5.711 0.167 400 1HG GLU 55 1HG GLU 55 -9.792 6.336 -2.773 401 2HG GLU 55 2HG GLU 55 -11.112 7.046 -1.835 402 H SER 56 H SER 56 -9.585 2.189 0.148 403 HA SER 56 HA SER 56 -8.940 2.945 2.898 404 1HB SER 56 1HB SER 56 -9.513 0.567 3.313 405 2HB SER 56 2HB SER 56 -10.777 1.418 2.406 406 HG SER 56 HG SER 56 -10.276 -0.642 1.489 407 H LEU 57 H LEU 57 -7.401 0.943 0.411 408 HA LEU 57 HA LEU 57 -5.161 0.131 2.078 409 1HB LEU 57 1HB LEU 57 -5.384 0.313 -0.933 410 2HB LEU 57 2HB LEU 57 -4.138 -0.547 -0.042 411 HG LEU 57 HG LEU 57 -7.111 -1.248 -0.213 412 1HD1 LEU 57 1HD1 LEU 57 -4.604 -2.134 -1.554 413 2HD1 LEU 57 2HD1 LEU 57 -6.236 -2.013 -2.195 414 3HD1 LEU 57 3HD1 LEU 57 -5.777 -3.405 -1.162 415 1HD2 LEU 57 1HD2 LEU 57 -4.947 -2.807 1.276 416 2HD2 LEU 57 2HD2 LEU 57 -6.639 -3.286 1.021 417 3HD2 LEU 57 3HD2 LEU 57 -6.260 -1.867 2.017 418 H ARG 58 H ARG 58 -5.538 2.811 -0.331 419 HA ARG 58 HA ARG 58 -3.001 3.948 -0.195 420 1HB ARG 58 1HB ARG 58 -4.982 4.591 -1.657 421 2HB ARG 58 2HB ARG 58 -5.697 5.363 -0.289 422 1HG ARG 58 1HG ARG 58 -3.273 6.562 -0.260 423 2HG ARG 58 2HG ARG 58 -3.374 6.163 -1.975 424 1HD ARG 58 1HD ARG 58 -4.408 8.175 -2.130 425 2HD ARG 58 2HD ARG 58 -5.845 7.263 -1.644 426 HE ARG 58 HE ARG 58 -4.331 8.198 0.656 427 1HH1 ARG 58 1HH1 ARG 58 -6.978 9.206 -1.396 428 2HH1 ARG 58 2HH1 ARG 58 -6.993 10.818 -0.755 429 1HH2 ARG 58 1HH2 ARG 58 -4.460 10.119 1.589 430 2HH2 ARG 58 2HH2 ARG 58 -5.599 11.324 1.042 431 H LYS 59 H LYS 59 -5.830 4.641 1.914 432 HA LYS 59 HA LYS 59 -4.587 6.295 3.838 433 1HB LYS 59 1HB LYS 59 -7.069 4.620 3.588 434 2HB LYS 59 2HB LYS 59 -6.559 4.968 5.213 435 1HG LYS 59 1HG LYS 59 -8.199 6.598 4.376 436 2HG LYS 59 2HG LYS 59 -6.680 7.337 4.894 437 1HD LYS 59 1HD LYS 59 -5.961 7.578 2.571 438 2HD LYS 59 2HD LYS 59 -7.400 6.794 1.974 439 1HE LYS 59 1HE LYS 59 -7.490 9.297 3.703 440 2HE LYS 59 2HE LYS 59 -7.268 9.362 1.946 441 1HZ LYS 59 1HZ LYS 59 -9.573 8.008 3.186 442 2HZ LYS 59 2HZ LYS 59 -9.286 8.264 1.583 443 3HZ LYS 59 3HZ LYS 59 -9.609 9.535 2.529 444 H ALA 60 H ALA 60 -4.635 2.682 3.727 445 HA ALA 60 HA ALA 60 -3.514 2.402 6.388 446 1HB ALA 60 1HB ALA 60 -3.195 0.086 5.735 447 2HB ALA 60 2HB ALA 60 -4.810 0.621 5.226 448 3HB ALA 60 3HB ALA 60 -3.505 0.467 4.026 449 H ILE 61 H ILE 61 -2.086 2.743 3.123 450 HA ILE 61 HA ILE 61 0.616 2.408 4.071 451 HB ILE 61 HB ILE 61 -0.354 3.928 1.603 452 1HG1 ILE 61 1HG1 ILE 61 0.530 1.028 1.772 453 2HG1 ILE 61 2HG1 ILE 61 -1.107 1.580 1.539 454 1HG2 ILE 61 1HG2 ILE 61 1.905 4.541 2.059 455 2HG2 ILE 61 2HG2 ILE 61 2.360 2.877 2.460 456 3HG2 ILE 61 3HG2 ILE 61 2.025 3.370 0.788 457 1HD1 ILE 61 1HD1 ILE 61 -0.398 2.733 -0.565 458 2HD1 ILE 61 2HD1 ILE 61 1.148 1.864 -0.445 459 3HD1 ILE 61 3HD1 ILE 61 -0.363 0.956 -0.586 460 H GLU 62 H GLU 62 -1.303 5.404 3.428 461 HA GLU 62 HA GLU 62 0.535 7.278 4.432 462 1HB GLU 62 1HB GLU 62 -2.497 7.120 4.580 463 2HB GLU 62 2HB GLU 62 -1.587 8.497 5.202 464 1HG GLU 62 1HG GLU 62 -0.703 9.052 3.040 465 2HG GLU 62 2HG GLU 62 -1.291 7.522 2.366 466 H ALA 63 H ALA 63 -1.471 4.942 6.275 467 HA ALA 63 HA ALA 63 -0.931 6.248 8.816 468 1HB ALA 63 1HB ALA 63 -3.067 5.084 8.318 469 2HB ALA 63 2HB ALA 63 -2.180 3.542 8.186 470 3HB ALA 63 3HB ALA 63 -2.256 4.396 9.738 471 H VAL 64 H VAL 64 1.216 4.750 7.022 472 HA VAL 64 HA VAL 64 2.529 3.266 9.249 473 HB VAL 64 HB VAL 64 2.221 2.307 6.752 474 1HG1 VAL 64 1HG1 VAL 64 3.931 2.369 5.339 475 2HG1 VAL 64 2HG1 VAL 64 3.534 4.067 5.712 476 3HG1 VAL 64 3HG1 VAL 64 4.994 3.336 6.406 477 1HG2 VAL 64 1HG2 VAL 64 4.870 2.075 8.311 478 2HG2 VAL 64 2HG2 VAL 64 3.387 1.277 8.858 479 3HG2 VAL 64 3HG2 VAL 64 4.113 0.806 7.302 480 H SER 65 H SER 65 2.860 6.059 7.120 481 HA SER 65 HA SER 65 4.553 7.207 9.168 482 1HB SER 65 1HB SER 65 5.841 7.810 6.614 483 2HB SER 65 2HB SER 65 6.428 7.454 8.247 484 HG SER 65 HG SER 65 5.892 5.213 7.774 485 HA PRO 66 HA PRO 66 1.090 9.663 7.354 486 1HB PRO 66 1HB PRO 66 0.059 10.547 9.804 487 2HB PRO 66 2HB PRO 66 -0.436 9.068 8.925 488 1HG PRO 66 1HG PRO 66 1.607 9.318 11.157 489 2HG PRO 66 2HG PRO 66 0.280 8.115 10.988 490 1HD PRO 66 1HD PRO 66 2.742 7.377 10.237 491 2HD PRO 66 2HD PRO 66 1.401 7.029 9.181 492 H GLY 67 H GLY 67 0.921 11.804 6.977 493 1HA GLY 67 1HA GLY 67 1.465 14.079 6.984 494 2HA GLY 67 2HA GLY 67 2.539 13.817 8.386 495 H LEU 68 H LEU 68 3.919 11.576 6.944 496 HA LEU 68 HA LEU 68 5.813 13.177 5.318 497 1HB LEU 68 1HB LEU 68 6.651 11.800 7.131 498 2HB LEU 68 2HB LEU 68 5.857 10.375 6.481 499 HG LEU 68 HG LEU 68 7.318 10.421 4.485 500 1HD1 LEU 68 1HD1 LEU 68 9.339 11.882 4.542 501 2HD1 LEU 68 2HD1 LEU 68 8.644 12.754 5.926 502 3HD1 LEU 68 3HD1 LEU 68 7.844 12.809 4.334 503 1HD2 LEU 68 1HD2 LEU 68 7.902 9.103 6.471 504 2HD2 LEU 68 2HD2 LEU 68 8.725 10.513 7.180 505 3HD2 LEU 68 3HD2 LEU 68 9.357 9.758 5.703 506 H TYR 69 H TYR 69 3.784 10.269 5.018 507 HA TYR 69 HA TYR 69 4.647 9.514 2.411 508 1HB TYR 69 1HB TYR 69 2.576 8.655 4.420 509 2HB TYR 69 2HB TYR 69 2.440 8.086 2.773 510 HD1 TYR 69 HD1 TYR 69 2.619 5.824 3.491 511 HD2 TYR 69 HD2 TYR 69 5.856 8.568 4.200 512 HE1 TYR 69 HE1 TYR 69 4.139 3.960 3.520 513 HE2 TYR 69 HE2 TYR 69 7.369 6.642 4.542 514 HH TYR 69 HH TYR 69 6.238 3.277 4.012 515 H ARG 70 H ARG 70 4.326 10.651 0.638 516 HA ARG 70 HA ARG 70 1.644 11.647 -0.138 517 1HB ARG 70 1HB ARG 70 4.363 11.586 -1.474 518 2HB ARG 70 2HB ARG 70 2.915 12.015 -2.322 519 1HG ARG 70 1HG ARG 70 3.644 14.093 -1.721 520 2HG ARG 70 2HG ARG 70 2.527 13.758 -0.418 521 1HD ARG 70 1HD ARG 70 4.389 14.691 0.652 522 2HD ARG 70 2HD ARG 70 4.541 12.963 0.953 523 HE ARG 70 HE ARG 70 6.052 13.746 -1.401 524 1HH1 ARG 70 1HH1 ARG 70 6.274 13.401 2.091 525 2HH1 ARG 70 2HH1 ARG 70 7.931 13.926 2.144 526 1HH2 ARG 70 1HH2 ARG 70 8.254 13.990 -1.315 527 2HH2 ARG 70 2HH2 ARG 70 9.072 14.214 0.217 528 H VAL 71 H VAL 71 0.583 9.619 0.024 529 HA VAL 71 HA VAL 71 1.367 7.430 -1.785 530 HB VAL 71 HB VAL 71 -1.111 7.495 -0.046 531 1HG1 VAL 71 1HG1 VAL 71 -1.091 5.736 -1.865 532 2HG1 VAL 71 2HG1 VAL 71 0.476 5.170 -1.260 533 3HG1 VAL 71 3HG1 VAL 71 -0.980 5.041 -0.252 534 1HG2 VAL 71 1HG2 VAL 71 0.311 6.134 1.518 535 2HG2 VAL 71 2HG2 VAL 71 1.726 6.529 0.528 536 3HG2 VAL 71 3HG2 VAL 71 0.831 7.810 1.364 537 H SER 72 H SER 72 0.780 7.129 -3.765 538 HA SER 72 HA SER 72 -1.646 8.509 -4.863 539 1HB SER 72 1HB SER 72 0.686 7.991 -6.617 540 2HB SER 72 2HB SER 72 -0.382 9.380 -6.517 541 HG SER 72 HG SER 72 1.761 8.814 -4.711 542 H ILE 73 H ILE 73 -3.005 7.303 -6.127 543 HA ILE 73 HA ILE 73 -2.489 4.421 -6.393 544 HB ILE 73 HB ILE 73 -4.970 5.980 -7.217 545 1HG1 ILE 73 1HG1 ILE 73 -4.422 4.659 -4.537 546 2HG1 ILE 73 2HG1 ILE 73 -4.418 6.382 -4.769 547 1HG2 ILE 73 1HG2 ILE 73 -6.093 3.814 -7.051 548 2HG2 ILE 73 2HG2 ILE 73 -4.685 3.609 -8.081 549 3HG2 ILE 73 3HG2 ILE 73 -4.626 3.052 -6.401 550 1HD1 ILE 73 1HD1 ILE 73 -6.838 4.595 -5.063 551 2HD1 ILE 73 2HD1 ILE 73 -6.504 5.766 -3.782 552 3HD1 ILE 73 3HD1 ILE 73 -6.803 6.334 -5.437 553 H THR 74 H THR 74 -0.782 4.423 -7.862 554 HA THR 74 HA THR 74 -1.145 5.412 -10.585 555 HB THR 74 HB THR 74 0.993 5.655 -9.637 556 HG1 THR 74 HG1 THR 74 0.886 3.605 -11.563 557 1HG2 THR 74 1HG2 THR 74 2.528 3.887 -9.110 558 2HG2 THR 74 2HG2 THR 74 1.342 2.640 -9.484 559 3HG2 THR 74 3HG2 THR 74 1.107 3.692 -8.064 560 H SER 75 H SER 75 -3.006 4.398 -11.224 561 HA SER 75 HA SER 75 -2.941 1.457 -11.784 562 1HB SER 75 1HB SER 75 -5.100 3.559 -12.239 563 2HB SER 75 2HB SER 75 -5.274 1.822 -12.509 564 HG SER 75 HG SER 75 -4.702 3.151 -10.053 565 H GLU 76 H GLU 76 -3.655 0.771 -14.060 566 HA GLU 76 HA GLU 76 -2.408 2.430 -16.135 567 1HB GLU 76 1HB GLU 76 -2.349 -0.071 -16.320 568 2HB GLU 76 2HB GLU 76 -4.115 -0.067 -16.499 569 1HG GLU 76 1HG GLU 76 -3.845 1.479 -18.488 570 2HG GLU 76 2HG GLU 76 -2.097 1.364 -18.304 571 H VAL 77 H VAL 77 -3.464 4.037 -16.932 572 HA VAL 77 HA VAL 77 -6.354 4.073 -17.399 573 HB VAL 77 HB VAL 77 -6.717 6.275 -16.514 574 1HG1 VAL 77 1HG1 VAL 77 -5.316 4.746 -14.275 575 2HG1 VAL 77 2HG1 VAL 77 -6.587 5.966 -14.118 576 3HG1 VAL 77 3HG1 VAL 77 -6.965 4.407 -14.864 577 1HG2 VAL 77 1HG2 VAL 77 -4.614 7.385 -16.862 578 2HG2 VAL 77 2HG2 VAL 77 -5.005 7.491 -15.148 579 3HG2 VAL 77 3HG2 VAL 77 -3.785 6.322 -15.692 Start of MODEL 2 1 1H ASN 1 1HT ASN 1 -9.934 -14.620 -8.703 2 HA ASN 1 HA ASN 1 -11.837 -13.433 -8.943 3 1HB ASN 1 1HB ASN 1 -13.018 -14.540 -6.377 4 2HB ASN 1 2HB ASN 1 -13.850 -13.809 -7.738 5 1HD2 ASN 1 1HD2 ASN 1 -12.669 -16.747 -6.414 6 2HD2 ASN 1 2HD2 ASN 1 -13.062 -17.781 -7.789 7 H ASP 2 H ASP 2 -9.468 -12.869 -7.012 8 HA ASP 2 HA ASP 2 -10.403 -11.077 -5.016 9 1HB ASP 2 1HB ASP 2 -7.585 -10.888 -5.970 10 2HB ASP 2 2HB ASP 2 -8.217 -11.019 -4.334 11 H SER 3 H SER 3 -9.761 -8.824 -4.824 12 HA SER 3 HA SER 3 -9.853 -7.289 -7.379 13 1HB SER 3 1HB SER 3 -11.571 -6.791 -5.498 14 2HB SER 3 2HB SER 3 -10.214 -6.099 -4.615 15 HG SER 3 HG SER 3 -11.466 -5.333 -7.024 16 H THR 4 H THR 4 -8.561 -5.121 -6.945 17 HA THR 4 HA THR 4 -5.986 -5.454 -5.670 18 HB THR 4 HB THR 4 -6.284 -6.310 -8.547 19 HG1 THR 4 HG1 THR 4 -6.019 -7.591 -6.520 20 1HG2 THR 4 1HG2 THR 4 -3.672 -5.302 -7.317 21 2HG2 THR 4 2HG2 THR 4 -4.492 -4.586 -8.734 22 3HG2 THR 4 3HG2 THR 4 -3.828 -6.222 -8.824 23 H ALA 5 H ALA 5 -4.687 -3.721 -5.809 24 HA ALA 5 HA ALA 5 -5.186 -1.579 -7.678 25 1HB ALA 5 1HB ALA 5 -5.382 0.177 -5.878 26 2HB ALA 5 2HB ALA 5 -6.770 -0.946 -5.926 27 3HB ALA 5 3HB ALA 5 -5.512 -1.129 -4.684 28 H THR 6 H THR 6 -3.486 0.163 -7.399 29 HA THR 6 HA THR 6 -0.929 -0.813 -6.229 30 HB THR 6 HB THR 6 -1.357 0.279 -9.023 31 HG1 THR 6 HG1 THR 6 -0.632 -1.839 -9.548 32 1HG2 THR 6 1HG2 THR 6 1.039 -0.266 -9.374 33 2HG2 THR 6 2HG2 THR 6 1.198 -0.614 -7.630 34 3HG2 THR 6 3HG2 THR 6 0.787 1.020 -8.195 35 H PHE 7 H PHE 7 0.418 0.715 -5.568 36 HA PHE 7 HA PHE 7 -0.479 3.548 -5.458 37 1HB PHE 7 1HB PHE 7 0.252 1.935 -2.994 38 2HB PHE 7 2HB PHE 7 -0.339 3.575 -3.056 39 HD1 PHE 7 HD1 PHE 7 -2.690 4.139 -3.345 40 HD2 PHE 7 HD2 PHE 7 -1.447 -0.028 -3.426 41 HE1 PHE 7 HE1 PHE 7 -5.039 3.397 -3.339 42 HE2 PHE 7 HE2 PHE 7 -3.762 -0.708 -3.385 43 HZ PHE 7 HZ PHE 7 -5.590 0.986 -3.369 44 H ILE 8 H ILE 8 1.153 5.056 -4.986 45 HA ILE 8 HA ILE 8 3.915 4.069 -4.587 46 HB ILE 8 HB ILE 8 3.350 4.551 -6.992 47 1HG1 ILE 8 1HG1 ILE 8 5.426 6.534 -5.964 48 2HG1 ILE 8 2HG1 ILE 8 5.623 4.798 -5.742 49 1HG2 ILE 8 1HG2 ILE 8 1.822 6.440 -6.729 50 2HG2 ILE 8 2HG2 ILE 8 3.159 7.465 -6.155 51 3HG2 ILE 8 3HG2 ILE 8 3.156 6.838 -7.811 52 1HD1 ILE 8 1HD1 ILE 8 5.514 4.373 -8.122 53 2HD1 ILE 8 2HD1 ILE 8 5.323 6.120 -8.450 54 3HD1 ILE 8 3HD1 ILE 8 6.824 5.500 -7.725 55 H ILE 9 H ILE 9 5.167 5.146 -3.300 56 HA ILE 9 HA ILE 9 3.958 7.291 -1.669 57 HB ILE 9 HB ILE 9 6.062 5.241 -0.844 58 1HG1 ILE 9 1HG1 ILE 9 4.329 4.157 0.516 59 2HG1 ILE 9 2HG1 ILE 9 3.073 5.016 -0.324 60 1HG2 ILE 9 1HG2 ILE 9 5.880 7.441 0.418 61 2HG2 ILE 9 2HG2 ILE 9 4.190 7.065 0.747 62 3HG2 ILE 9 3HG2 ILE 9 5.491 6.030 1.399 63 1HD1 ILE 9 1HD1 ILE 9 3.576 3.604 -2.297 64 2HD1 ILE 9 2HD1 ILE 9 5.055 3.004 -1.474 65 3HD1 ILE 9 3HD1 ILE 9 3.453 2.602 -0.849 66 H ASP 10 H ASP 10 4.775 8.966 -2.836 67 HA ASP 10 HA ASP 10 7.618 9.298 -3.396 68 1HB ASP 10 1HB ASP 10 5.009 10.624 -3.927 69 2HB ASP 10 2HB ASP 10 6.301 11.713 -3.729 70 H GLY 11 H GLY 11 7.332 8.771 -0.737 71 1HA GLY 11 1HA GLY 11 8.741 10.913 0.617 72 2HA GLY 11 2HA GLY 11 7.067 10.850 1.139 73 H MET 12 H MET 12 9.214 8.173 0.238 74 HA MET 12 HA MET 12 8.534 6.778 2.763 75 1HB MET 12 1HB MET 12 7.970 5.945 0.440 76 2HB MET 12 2HB MET 12 9.667 5.654 0.151 77 1HG MET 12 1HG MET 12 8.416 4.459 2.580 78 2HG MET 12 2HG MET 12 7.726 3.934 1.091 79 1HE MET 12 1HE MET 12 10.391 1.989 -0.826 80 2HE MET 12 2HE MET 12 8.652 2.265 -0.615 81 3HE MET 12 3HE MET 12 9.730 3.615 -1.060 82 H HIS 13 H HIS 13 10.169 5.832 4.109 83 HA HIS 13 HA HIS 13 12.854 6.814 4.001 84 1HB HIS 13 1HB HIS 13 11.966 4.320 5.438 85 2HB HIS 13 2HB HIS 13 13.376 5.301 5.780 86 HD1 HIS 13 HD1 HIS 13 11.649 4.854 8.203 87 HD2 HIS 13 HD2 HIS 13 10.992 7.995 5.484 88 HE1 HIS 13 HE1 HIS 13 10.221 6.580 9.414 89 H CYS 14 H CYS 14 11.606 4.860 1.802 90 HA CYS 14 HA CYS 14 12.545 4.243 -0.135 91 1HB CYS 14 1HB CYS 14 15.194 4.758 1.233 92 2HB CYS 14 2HB CYS 14 15.027 4.231 -0.452 93 HG CYS 14 HG CYS 14 13.325 6.791 0.829 94 H LYS 15 H LYS 15 14.352 2.546 2.487 95 HA LYS 15 HA LYS 15 13.546 0.016 1.048 96 1HB LYS 15 1HB LYS 15 16.343 0.714 1.961 97 2HB LYS 15 2HB LYS 15 15.782 -0.937 1.577 98 1HG LYS 15 1HG LYS 15 14.836 -0.005 -0.587 99 2HG LYS 15 2HG LYS 15 15.712 1.489 -0.283 100 1HD LYS 15 1HD LYS 15 17.797 0.471 -0.683 101 2HD LYS 15 2HD LYS 15 17.113 -1.174 -0.507 102 1HE LYS 15 1HE LYS 15 15.937 -1.086 -2.554 103 2HE LYS 15 2HE LYS 15 15.914 0.664 -2.582 104 1HZ LYS 15 1HZ LYS 15 17.400 -0.239 -4.245 105 2HZ LYS 15 2HZ LYS 15 18.324 -0.979 -3.107 106 3HZ LYS 15 3HZ LYS 15 18.247 0.668 -3.180 107 H SER 16 H SER 16 14.831 0.818 4.412 108 HA SER 16 HA SER 16 13.292 -1.367 5.489 109 1HB SER 16 1HB SER 16 13.912 1.182 7.006 110 2HB SER 16 2HB SER 16 13.678 -0.466 7.621 111 HG SER 16 HG SER 16 15.909 -0.056 7.524 112 H CYS 17 H CYS 17 12.006 1.600 4.224 113 HA CYS 17 HA CYS 17 9.492 1.283 5.771 114 1HB CYS 17 1HB CYS 17 10.410 3.360 3.808 115 2HB CYS 17 2HB CYS 17 8.771 2.858 3.752 116 HG CYS 17 HG CYS 17 8.775 4.922 5.486 117 H VAL 18 H VAL 18 10.692 0.007 2.711 118 HA VAL 18 HA VAL 18 8.364 -0.879 1.511 119 HB VAL 18 HB VAL 18 11.048 -2.298 1.774 120 1HG1 VAL 18 1HG1 VAL 18 8.937 -2.734 -0.329 121 2HG1 VAL 18 2HG1 VAL 18 10.563 -3.437 -0.330 122 3HG1 VAL 18 3HG1 VAL 18 9.422 -3.906 0.931 123 1HG2 VAL 18 1HG2 VAL 18 11.192 0.006 0.815 124 2HG2 VAL 18 2HG2 VAL 18 11.587 -1.227 -0.382 125 3HG2 VAL 18 3HG2 VAL 18 9.993 -0.443 -0.410 126 H SER 19 H SER 19 10.261 -2.602 3.969 127 HA SER 19 HA SER 19 8.614 -4.882 4.339 128 1HB SER 19 1HB SER 19 10.988 -4.599 4.984 129 2HB SER 19 2HB SER 19 10.554 -3.386 6.185 130 HG SER 19 HG SER 19 9.665 -6.113 6.205 131 H ASN 20 H ASN 20 8.536 -1.740 6.206 132 HA ASN 20 HA ASN 20 6.368 -2.465 7.929 133 1HB ASN 20 1HB ASN 20 6.917 0.195 6.620 134 2HB ASN 20 2HB ASN 20 5.878 -0.025 7.973 135 1HD2 ASN 20 1HD2 ASN 20 8.615 1.321 7.368 136 2HD2 ASN 20 2HD2 ASN 20 9.665 0.709 8.623 137 H ILE 21 H ILE 21 6.389 -1.410 4.534 138 HA ILE 21 HA ILE 21 3.519 -0.868 4.476 139 HB ILE 21 HB ILE 21 5.119 -1.353 1.973 140 1HG1 ILE 21 1HG1 ILE 21 5.787 0.816 3.958 141 2HG1 ILE 21 2HG1 ILE 21 6.646 0.063 2.636 142 1HG2 ILE 21 1HG2 ILE 21 2.834 0.536 2.663 143 2HG2 ILE 21 2HG2 ILE 21 3.516 0.251 1.042 144 3HG2 ILE 21 3HG2 ILE 21 2.670 -1.042 1.869 145 1HD1 ILE 21 1HD1 ILE 21 6.397 2.385 2.139 146 2HD1 ILE 21 2HD1 ILE 21 5.639 1.364 0.914 147 3HD1 ILE 21 3HD1 ILE 21 4.630 2.215 2.104 148 H GLU 22 H GLU 22 5.565 -3.635 3.440 149 HA GLU 22 HA GLU 22 3.526 -5.428 2.643 150 1HB GLU 22 1HB GLU 22 6.200 -5.727 4.037 151 2HB GLU 22 2HB GLU 22 5.182 -7.127 3.776 152 1HG GLU 22 1HG GLU 22 5.193 -6.800 1.378 153 2HG GLU 22 2HG GLU 22 6.007 -5.252 1.563 154 H SER 23 H SER 23 4.882 -4.931 5.973 155 HA SER 23 HA SER 23 2.971 -6.715 7.123 156 1HB SER 23 1HB SER 23 5.156 -6.039 8.145 157 2HB SER 23 2HB SER 23 4.472 -4.432 8.469 158 HG SER 23 HG SER 23 2.710 -5.800 9.565 159 H THR 24 H THR 24 2.716 -3.173 6.827 160 HA THR 24 HA THR 24 0.473 -3.029 8.669 161 HB THR 24 HB THR 24 1.525 -0.908 6.716 162 HG1 THR 24 HG1 THR 24 3.065 -1.453 8.131 163 1HG2 THR 24 1HG2 THR 24 0.440 0.671 8.310 164 2HG2 THR 24 2HG2 THR 24 -0.276 -0.710 9.176 165 3HG2 THR 24 3HG2 THR 24 -0.748 -0.363 7.498 166 H LEU 25 H LEU 25 0.834 -3.190 5.169 167 HA LEU 25 HA LEU 25 -2.059 -3.048 4.771 168 1HB LEU 25 1HB LEU 25 0.174 -3.931 2.939 169 2HB LEU 25 2HB LEU 25 -1.523 -3.739 2.482 170 HG LEU 25 HG LEU 25 0.533 -1.592 3.079 171 1HD1 LEU 25 1HD1 LEU 25 -0.565 -0.615 1.088 172 2HD1 LEU 25 2HD1 LEU 25 -1.732 -1.925 1.080 173 3HD1 LEU 25 3HD1 LEU 25 0.004 -2.247 0.760 174 1HD2 LEU 25 1HD2 LEU 25 -2.455 -1.096 3.235 175 2HD2 LEU 25 2HD2 LEU 25 -1.183 0.134 3.242 176 3HD2 LEU 25 3HD2 LEU 25 -1.322 -0.940 4.612 177 H SER 26 H SER 26 0.348 -5.798 4.835 178 HA SER 26 HA SER 26 -1.756 -7.614 3.981 179 1HB SER 26 1HB SER 26 0.787 -7.727 3.639 180 2HB SER 26 2HB SER 26 0.870 -8.428 5.225 181 HG SER 26 HG SER 26 0.582 -10.160 3.942 182 H ALA 27 H ALA 27 -1.935 -6.096 6.650 183 HA ALA 27 HA ALA 27 -2.888 -8.379 8.355 184 1HB ALA 27 1HB ALA 27 -2.574 -6.837 10.269 185 2HB ALA 27 2HB ALA 27 -1.051 -7.063 9.385 186 3HB ALA 27 3HB ALA 27 -1.986 -5.570 9.166 187 H LEU 28 H LEU 28 -4.046 -6.090 6.153 188 HA LEU 28 HA LEU 28 -6.063 -4.907 7.823 189 1HB LEU 28 1HB LEU 28 -5.680 -4.894 4.812 190 2HB LEU 28 2HB LEU 28 -6.915 -3.974 5.662 191 HG LEU 28 HG LEU 28 -3.975 -3.639 6.337 192 1HD1 LEU 28 1HD1 LEU 28 -4.435 -3.188 3.858 193 2HD1 LEU 28 2HD1 LEU 28 -3.809 -1.846 4.816 194 3HD1 LEU 28 3HD1 LEU 28 -5.513 -1.870 4.402 195 1HD2 LEU 28 1HD2 LEU 28 -4.735 -1.431 7.105 196 2HD2 LEU 28 2HD2 LEU 28 -5.562 -2.735 7.975 197 3HD2 LEU 28 3HD2 LEU 28 -6.418 -1.861 6.681 198 H GLN 29 H GLN 29 -8.101 -5.358 8.111 199 HA GLN 29 HA GLN 29 -9.140 -7.996 7.496 200 1HB GLN 29 1HB GLN 29 -10.340 -5.596 8.939 201 2HB GLN 29 2HB GLN 29 -11.081 -7.200 8.841 202 1HG GLN 29 1HG GLN 29 -9.155 -8.214 9.995 203 2HG GLN 29 2HG GLN 29 -8.341 -6.644 10.085 204 1HE2 GLN 29 1HE2 GLN 29 -9.508 -4.868 11.372 205 2HE2 GLN 29 2HE2 GLN 29 -10.544 -5.452 12.676 206 H TYR 30 H TYR 30 -8.929 -7.696 5.291 207 HA TYR 30 HA TYR 30 -11.004 -7.737 3.622 208 1HB TYR 30 1HB TYR 30 -10.999 -5.600 2.358 209 2HB TYR 30 2HB TYR 30 -11.842 -5.603 3.883 210 HD1 TYR 30 HD1 TYR 30 -8.204 -4.823 2.861 211 HD2 TYR 30 HD2 TYR 30 -11.780 -3.572 4.946 212 HE1 TYR 30 HE1 TYR 30 -7.169 -2.701 3.390 213 HE2 TYR 30 HE2 TYR 30 -10.696 -1.402 5.488 214 HH TYR 30 HH TYR 30 -7.374 -0.603 4.403 215 H VAL 31 H VAL 31 -7.547 -7.210 4.019 216 HA VAL 31 HA VAL 31 -7.214 -7.366 1.069 217 HB VAL 31 HB VAL 31 -5.832 -5.693 2.379 218 1HG1 VAL 31 1HG1 VAL 31 -5.257 -6.965 4.201 219 2HG1 VAL 31 2HG1 VAL 31 -4.338 -8.141 3.188 220 3HG1 VAL 31 3HG1 VAL 31 -3.844 -6.433 3.246 221 1HG2 VAL 31 1HG2 VAL 31 -4.223 -7.743 0.761 222 2HG2 VAL 31 2HG2 VAL 31 -5.199 -6.442 0.026 223 3HG2 VAL 31 3HG2 VAL 31 -3.801 -6.062 1.036 224 H SER 32 H SER 32 -6.178 -9.149 0.035 225 HA SER 32 HA SER 32 -5.997 -11.627 1.730 226 1HB SER 32 1HB SER 32 -7.880 -11.391 -0.006 227 2HB SER 32 2HB SER 32 -6.609 -11.579 -1.232 228 HG SER 32 HG SER 32 -6.033 -13.545 -0.163 229 H SER 33 H SER 33 -4.100 -9.472 -0.124 230 HA SER 33 HA SER 33 -1.655 -10.868 0.132 231 1HB SER 33 1HB SER 33 -3.202 -11.401 -2.348 232 2HB SER 33 2HB SER 33 -1.507 -11.090 -2.572 233 HG SER 33 HG SER 33 -2.651 -13.005 -0.803 234 H ILE 34 H ILE 34 -0.013 -9.981 -1.410 235 HA ILE 34 HA ILE 34 -0.119 -7.284 -2.345 236 HB ILE 34 HB ILE 34 -0.441 -6.769 0.030 237 1HG1 ILE 34 1HG1 ILE 34 2.434 -6.041 -0.642 238 2HG1 ILE 34 2HG1 ILE 34 1.035 -5.321 -1.453 239 1HG2 ILE 34 1HG2 ILE 34 1.287 -7.292 1.735 240 2HG2 ILE 34 2HG2 ILE 34 0.531 -8.745 1.110 241 3HG2 ILE 34 3HG2 ILE 34 2.159 -8.281 0.562 242 1HD1 ILE 34 1HD1 ILE 34 0.170 -4.538 0.713 243 2HD1 ILE 34 2HD1 ILE 34 1.621 -5.155 1.526 244 3HD1 ILE 34 3HD1 ILE 34 1.776 -3.867 0.324 245 H VAL 35 H VAL 35 1.812 -6.591 -3.188 246 HA VAL 35 HA VAL 35 4.343 -8.072 -2.822 247 HB VAL 35 HB VAL 35 2.991 -7.483 -5.498 248 1HG1 VAL 35 1HG1 VAL 35 5.957 -8.043 -5.071 249 2HG1 VAL 35 2HG1 VAL 35 5.119 -8.143 -6.634 250 3HG1 VAL 35 3HG1 VAL 35 5.229 -6.594 -5.811 251 1HG2 VAL 35 1HG2 VAL 35 3.683 -9.862 -5.968 252 2HG2 VAL 35 2HG2 VAL 35 4.364 -9.943 -4.324 253 3HG2 VAL 35 3HG2 VAL 35 2.608 -9.746 -4.572 254 H VAL 36 H VAL 36 6.116 -6.644 -3.070 255 HA VAL 36 HA VAL 36 5.530 -3.811 -3.742 256 HB VAL 36 HB VAL 36 5.200 -4.130 -1.268 257 1HG1 VAL 36 1HG1 VAL 36 6.862 -5.815 -0.801 258 2HG1 VAL 36 2HG1 VAL 36 8.183 -4.744 -1.308 259 3HG1 VAL 36 3HG1 VAL 36 7.238 -4.343 0.126 260 1HG2 VAL 36 1HG2 VAL 36 5.706 -1.920 -2.141 261 2HG2 VAL 36 2HG2 VAL 36 6.443 -2.158 -0.556 262 3HG2 VAL 36 3HG2 VAL 36 7.446 -2.225 -2.017 263 H SER 37 H SER 37 7.349 -2.550 -4.306 264 HA SER 37 HA SER 37 9.593 -4.109 -5.449 265 1HB SER 37 1HB SER 37 8.563 -1.294 -5.712 266 2HB SER 37 2HB SER 37 10.260 -1.634 -6.054 267 HG SER 37 HG SER 37 9.476 -2.082 -7.960 268 H LEU 38 H LEU 38 11.610 -4.245 -4.516 269 HA LEU 38 HA LEU 38 12.129 -2.942 -1.988 270 1HB LEU 38 1HB LEU 38 12.924 -5.225 -2.980 271 2HB LEU 38 2HB LEU 38 14.152 -4.300 -3.820 272 HG LEU 38 HG LEU 38 14.768 -5.501 -1.665 273 1HD1 LEU 38 1HD1 LEU 38 15.464 -2.597 -1.496 274 2HD1 LEU 38 2HD1 LEU 38 16.112 -3.648 -2.783 275 3HD1 LEU 38 3HD1 LEU 38 16.445 -3.998 -1.071 276 1HD2 LEU 38 1HD2 LEU 38 12.794 -4.738 -0.308 277 2HD2 LEU 38 2HD2 LEU 38 13.490 -3.099 -0.301 278 3HD2 LEU 38 3HD2 LEU 38 14.361 -4.437 0.472 279 H GLU 39 H GLU 39 13.030 -2.230 -5.314 280 HA GLU 39 HA GLU 39 14.730 0.028 -4.573 281 1HB GLU 39 1HB GLU 39 15.222 -1.535 -6.472 282 2HB GLU 39 2HB GLU 39 13.705 -1.061 -7.244 283 1HG GLU 39 1HG GLU 39 14.622 1.361 -7.216 284 2HG GLU 39 2HG GLU 39 16.140 0.619 -6.677 285 H ASN 40 H ASN 40 11.748 -0.460 -6.505 286 HA ASN 40 HA ASN 40 11.303 2.340 -6.804 287 1HB ASN 40 1HB ASN 40 9.164 0.282 -7.347 288 2HB ASN 40 2HB ASN 40 9.489 1.794 -8.177 289 1HD2 ASN 40 1HD2 ASN 40 12.013 1.817 -8.952 290 2HD2 ASN 40 2HD2 ASN 40 12.635 0.357 -9.582 291 H ARG 41 H ARG 41 9.857 3.672 -5.660 292 HA ARG 41 HA ARG 41 9.112 2.783 -3.041 293 1HB ARG 41 1HB ARG 41 8.602 5.043 -2.519 294 2HB ARG 41 2HB ARG 41 10.142 4.942 -3.339 295 1HG ARG 41 1HG ARG 41 7.552 5.897 -4.642 296 2HG ARG 41 2HG ARG 41 8.751 6.923 -3.874 297 1HD ARG 41 1HD ARG 41 10.454 6.192 -5.527 298 2HD ARG 41 2HD ARG 41 9.165 5.318 -6.402 299 HE ARG 41 HE ARG 41 8.129 7.854 -6.002 300 1HH1 ARG 41 1HH1 ARG 41 11.130 6.900 -7.640 301 2HH1 ARG 41 2HH1 ARG 41 11.031 8.280 -8.711 302 1HH2 ARG 41 1HH2 ARG 41 8.086 9.479 -7.207 303 2HH2 ARG 41 2HH2 ARG 41 9.249 9.788 -8.475 304 H SER 42 H SER 42 7.627 1.214 -4.638 305 HA SER 42 HA SER 42 4.804 2.109 -4.250 306 1HB SER 42 1HB SER 42 4.412 1.076 -6.595 307 2HB SER 42 2HB SER 42 5.061 2.700 -6.470 308 HG SER 42 HG SER 42 6.510 0.302 -6.949 309 H ALA 43 H ALA 43 3.218 0.550 -4.400 310 HA ALA 43 HA ALA 43 3.966 -2.294 -3.824 311 1HB ALA 43 1HB ALA 43 2.420 -2.266 -1.916 312 2HB ALA 43 2HB ALA 43 3.649 -1.023 -1.670 313 3HB ALA 43 3HB ALA 43 2.015 -0.562 -2.197 314 H ILE 44 H ILE 44 2.530 -3.785 -4.475 315 HA ILE 44 HA ILE 44 0.082 -3.012 -6.026 316 HB ILE 44 HB ILE 44 1.954 -5.385 -6.418 317 1HG1 ILE 44 1HG1 ILE 44 1.393 -3.033 -8.288 318 2HG1 ILE 44 2HG1 ILE 44 2.828 -3.152 -7.275 319 1HG2 ILE 44 1HG2 ILE 44 0.459 -5.951 -8.318 320 2HG2 ILE 44 2HG2 ILE 44 -0.429 -5.955 -6.806 321 3HG2 ILE 44 3HG2 ILE 44 -0.588 -4.572 -7.912 322 1HD1 ILE 44 1HD1 ILE 44 2.091 -5.022 -9.554 323 2HD1 ILE 44 2HD1 ILE 44 3.418 -3.856 -9.485 324 3HD1 ILE 44 3HD1 ILE 44 3.449 -5.282 -8.429 325 H VAL 45 H VAL 45 -1.726 -3.655 -4.958 326 HA VAL 45 HA VAL 45 -1.412 -5.549 -2.641 327 HB VAL 45 HB VAL 45 -3.123 -3.044 -2.767 328 1HG1 VAL 45 1HG1 VAL 45 -3.131 -3.367 -0.260 329 2HG1 VAL 45 2HG1 VAL 45 -3.879 -4.713 -1.121 330 3HG1 VAL 45 3HG1 VAL 45 -2.226 -4.875 -0.480 331 1HG2 VAL 45 1HG2 VAL 45 -1.503 -1.929 -1.314 332 2HG2 VAL 45 2HG2 VAL 45 -0.385 -3.307 -1.473 333 3HG2 VAL 45 3HG2 VAL 45 -0.788 -2.290 -2.872 334 H VAL 46 H VAL 46 -3.024 -7.052 -2.356 335 HA VAL 46 HA VAL 46 -5.128 -7.182 -4.484 336 HB VAL 46 HB VAL 46 -3.522 -9.422 -3.208 337 1HG1 VAL 46 1HG1 VAL 46 -5.351 -9.554 -5.631 338 2HG1 VAL 46 2HG1 VAL 46 -4.417 -10.889 -4.897 339 3HG1 VAL 46 3HG1 VAL 46 -5.750 -10.152 -4.001 340 1HG2 VAL 46 1HG2 VAL 46 -2.376 -9.697 -5.391 341 2HG2 VAL 46 2HG2 VAL 46 -3.097 -8.172 -5.941 342 3HG2 VAL 46 3HG2 VAL 46 -1.964 -8.193 -4.575 343 H TYR 47 H TYR 47 -7.120 -7.027 -3.549 344 HA TYR 47 HA TYR 47 -7.484 -7.981 -0.739 345 1HB TYR 47 1HB TYR 47 -8.689 -5.983 -0.161 346 2HB TYR 47 2HB TYR 47 -7.107 -5.580 -0.738 347 HD1 TYR 47 HD1 TYR 47 -10.664 -5.103 -1.290 348 HD2 TYR 47 HD2 TYR 47 -6.736 -4.597 -2.967 349 HE1 TYR 47 HE1 TYR 47 -11.569 -3.443 -2.926 350 HE2 TYR 47 HE2 TYR 47 -7.621 -2.877 -4.544 351 HH TYR 47 HH TYR 47 -11.041 -1.842 -4.506 352 H ASN 48 H ASN 48 -9.919 -7.962 -0.076 353 HA ASN 48 HA ASN 48 -11.247 -9.627 -2.192 354 1HB ASN 48 1HB ASN 48 -10.331 -10.796 -0.139 355 2HB ASN 48 2HB ASN 48 -11.542 -9.935 0.816 356 1HD2 ASN 48 1HD2 ASN 48 -10.947 -12.632 -1.319 357 2HD2 ASN 48 2HD2 ASN 48 -12.622 -13.139 -1.438 358 H ALA 49 H ALA 49 -12.929 -8.663 -3.069 359 HA ALA 49 HA ALA 49 -15.144 -7.502 -1.658 360 1HB ALA 49 1HB ALA 49 -14.727 -5.140 -2.496 361 2HB ALA 49 2HB ALA 49 -13.644 -5.634 -1.186 362 3HB ALA 49 3HB ALA 49 -13.061 -5.626 -2.868 363 H SER 50 H SER 50 -16.895 -7.713 -3.085 364 HA SER 50 HA SER 50 -16.538 -8.046 -5.932 365 1HB SER 50 1HB SER 50 -19.048 -7.129 -4.484 366 2HB SER 50 2HB SER 50 -18.943 -7.969 -6.042 367 HG SER 50 HG SER 50 -18.253 -9.827 -4.941 368 H SER 51 H SER 51 -16.904 -5.196 -3.901 369 HA SER 51 HA SER 51 -15.610 -3.593 -5.826 370 1HB SER 51 1HB SER 51 -17.881 -3.485 -6.880 371 2HB SER 51 2HB SER 51 -18.471 -2.703 -5.396 372 HG SER 51 HG SER 51 -17.753 -1.190 -6.984 373 H VAL 52 H VAL 52 -14.338 -2.430 -4.487 374 HA VAL 52 HA VAL 52 -15.356 -0.850 -2.265 375 HB VAL 52 HB VAL 52 -13.395 -3.123 -1.789 376 1HG1 VAL 52 1HG1 VAL 52 -12.832 -2.123 0.423 377 2HG1 VAL 52 2HG1 VAL 52 -12.190 -1.199 -0.925 378 3HG1 VAL 52 3HG1 VAL 52 -13.643 -0.622 -0.070 379 1HG2 VAL 52 1HG2 VAL 52 -14.737 -3.459 0.284 380 2HG2 VAL 52 2HG2 VAL 52 -15.791 -2.110 -0.191 381 3HG2 VAL 52 3HG2 VAL 52 -15.734 -3.599 -1.156 382 H THR 53 H THR 53 -14.024 0.904 -1.894 383 HA THR 53 HA THR 53 -12.642 1.820 -4.203 384 HB THR 53 HB THR 53 -14.026 3.277 -2.891 385 HG1 THR 53 HG1 THR 53 -12.636 4.980 -2.956 386 1HG2 THR 53 1HG2 THR 53 -11.881 3.205 -0.728 387 2HG2 THR 53 2HG2 THR 53 -13.466 2.422 -0.596 388 3HG2 THR 53 3HG2 THR 53 -13.363 4.184 -0.744 389 HA PRO 54 HA PRO 54 -8.358 0.864 -2.991 390 1HB PRO 54 1HB PRO 54 -7.023 2.513 -4.715 391 2HB PRO 54 2HB PRO 54 -7.853 1.020 -5.248 392 1HG PRO 54 1HG PRO 54 -8.939 3.855 -5.315 393 2HG PRO 54 2HG PRO 54 -8.871 2.664 -6.660 394 1HD PRO 54 1HD PRO 54 -11.103 2.986 -5.174 395 2HD PRO 54 2HD PRO 54 -10.588 1.350 -5.685 396 H GLU 55 H GLU 55 -10.080 3.813 -2.504 397 HA GLU 55 HA GLU 55 -8.015 5.529 -1.585 398 1HB GLU 55 1HB GLU 55 -10.560 5.850 -2.159 399 2HB GLU 55 2HB GLU 55 -10.833 5.578 -0.451 400 1HG GLU 55 1HG GLU 55 -8.897 7.670 -1.563 401 2HG GLU 55 2HG GLU 55 -10.624 7.970 -1.462 402 H SER 56 H SER 56 -9.557 2.761 0.035 403 HA SER 56 HA SER 56 -8.806 3.509 2.748 404 1HB SER 56 1HB SER 56 -9.524 1.166 3.210 405 2HB SER 56 2HB SER 56 -10.754 2.113 2.338 406 HG SER 56 HG SER 56 -10.483 0.061 1.349 407 H LEU 57 H LEU 57 -7.475 1.308 0.256 408 HA LEU 57 HA LEU 57 -5.291 0.358 1.918 409 1HB LEU 57 1HB LEU 57 -5.504 0.559 -1.090 410 2HB LEU 57 2HB LEU 57 -4.241 -0.301 -0.224 411 HG LEU 57 HG LEU 57 -7.205 -1.018 -0.351 412 1HD1 LEU 57 1HD1 LEU 57 -4.639 -2.044 -1.601 413 2HD1 LEU 57 2HD1 LEU 57 -6.182 -1.681 -2.389 414 3HD1 LEU 57 3HD1 LEU 57 -5.996 -3.147 -1.378 415 1HD2 LEU 57 1HD2 LEU 57 -4.968 -2.604 1.027 416 2HD2 LEU 57 2HD2 LEU 57 -6.663 -3.091 0.847 417 3HD2 LEU 57 3HD2 LEU 57 -6.235 -1.677 1.850 418 H ARG 58 H ARG 58 -5.531 3.075 -0.451 419 HA ARG 58 HA ARG 58 -2.924 4.128 -0.135 420 1HB ARG 58 1HB ARG 58 -4.228 5.230 -1.701 421 2HB ARG 58 2HB ARG 58 -5.620 5.381 -0.677 422 1HG ARG 58 1HG ARG 58 -4.668 7.125 0.607 423 2HG ARG 58 2HG ARG 58 -3.044 6.841 -0.003 424 1HD ARG 58 1HD ARG 58 -3.441 7.954 -2.006 425 2HD ARG 58 2HD ARG 58 -5.197 7.747 -1.901 426 HE ARG 58 HE ARG 58 -3.546 9.540 -0.123 427 1HH1 ARG 58 1HH1 ARG 58 -6.725 8.881 -1.475 428 2HH1 ARG 58 2HH1 ARG 58 -7.544 9.592 -0.122 429 1HH2 ARG 58 1HH2 ARG 58 -4.569 10.419 1.477 430 2HH2 ARG 58 2HH2 ARG 58 -6.263 10.892 1.345 431 H LYS 59 H LYS 59 -5.821 5.017 1.768 432 HA LYS 59 HA LYS 59 -4.649 6.433 3.853 433 1HB LYS 59 1HB LYS 59 -7.134 4.894 3.373 434 2HB LYS 59 2HB LYS 59 -6.655 4.858 5.049 435 1HG LYS 59 1HG LYS 59 -8.156 6.686 4.627 436 2HG LYS 59 2HG LYS 59 -6.567 7.295 5.135 437 1HD LYS 59 1HD LYS 59 -6.019 7.869 2.797 438 2HD LYS 59 2HD LYS 59 -7.545 7.200 2.247 439 1HE LYS 59 1HE LYS 59 -7.347 9.461 4.285 440 2HE LYS 59 2HE LYS 59 -7.452 9.715 2.531 441 1HZ LYS 59 1HZ LYS 59 -9.511 8.241 4.055 442 2HZ LYS 59 2HZ LYS 59 -9.488 8.531 2.456 443 3HZ LYS 59 3HZ LYS 59 -9.665 9.795 3.470 444 H ALA 60 H ALA 60 -4.695 2.824 3.649 445 HA ALA 60 HA ALA 60 -3.632 2.484 6.325 446 1HB ALA 60 1HB ALA 60 -3.726 0.643 3.893 447 2HB ALA 60 2HB ALA 60 -3.340 0.171 5.570 448 3HB ALA 60 3HB ALA 60 -4.964 0.771 5.163 449 H ILE 61 H ILE 61 -2.168 2.778 3.083 450 HA ILE 61 HA ILE 61 0.540 2.444 4.000 451 HB ILE 61 HB ILE 61 -0.462 3.995 1.559 452 1HG1 ILE 61 1HG1 ILE 61 0.486 1.129 1.748 453 2HG1 ILE 61 2HG1 ILE 61 -1.172 1.598 1.511 454 1HG2 ILE 61 1HG2 ILE 61 1.871 3.442 0.714 455 2HG2 ILE 61 2HG2 ILE 61 1.811 4.586 2.009 456 3HG2 ILE 61 3HG2 ILE 61 2.272 2.899 2.353 457 1HD1 ILE 61 1HD1 ILE 61 -0.497 2.793 -0.618 458 2HD1 ILE 61 2HD1 ILE 61 1.032 1.880 -0.512 459 3HD1 ILE 61 3HD1 ILE 61 -0.503 1.020 -0.627 460 H GLU 62 H GLU 62 -1.386 5.447 3.352 461 HA GLU 62 HA GLU 62 0.480 7.309 4.312 462 1HB GLU 62 1HB GLU 62 -2.561 7.374 4.544 463 2HB GLU 62 2HB GLU 62 -1.452 8.725 4.838 464 1HG GLU 62 1HG GLU 62 -0.695 8.723 2.551 465 2HG GLU 62 2HG GLU 62 -1.717 7.325 2.175 466 H ALA 63 H ALA 63 -1.495 5.031 6.194 467 HA ALA 63 HA ALA 63 -1.115 6.505 8.690 468 1HB ALA 63 1HB ALA 63 -3.236 5.328 8.206 469 2HB ALA 63 2HB ALA 63 -2.356 3.781 8.111 470 3HB ALA 63 3HB ALA 63 -2.456 4.658 9.651 471 H VAL 64 H VAL 64 1.031 4.780 7.043 472 HA VAL 64 HA VAL 64 2.248 3.439 9.408 473 HB VAL 64 HB VAL 64 1.990 2.351 6.972 474 1HG1 VAL 64 1HG1 VAL 64 4.770 3.385 6.652 475 2HG1 VAL 64 2HG1 VAL 64 3.780 2.346 5.592 476 3HG1 VAL 64 3HG1 VAL 64 3.324 4.048 5.863 477 1HG2 VAL 64 1HG2 VAL 64 3.073 1.375 9.119 478 2HG2 VAL 64 2HG2 VAL 64 3.882 0.872 7.615 479 3HG2 VAL 64 3HG2 VAL 64 4.585 2.168 8.623 480 H SER 65 H SER 65 2.786 6.074 7.079 481 HA SER 65 HA SER 65 4.449 7.288 9.150 482 1HB SER 65 1HB SER 65 5.778 7.642 6.553 483 2HB SER 65 2HB SER 65 6.347 7.465 8.218 484 HG SER 65 HG SER 65 5.694 5.188 7.971 485 HA PRO 66 HA PRO 66 1.168 9.848 7.139 486 1HB PRO 66 1HB PRO 66 0.122 10.862 9.540 487 2HB PRO 66 2HB PRO 66 -0.451 9.415 8.661 488 1HG PRO 66 1HG PRO 66 1.512 9.549 10.970 489 2HG PRO 66 2HG PRO 66 0.126 8.426 10.747 490 1HD PRO 66 1HD PRO 66 2.575 7.545 10.123 491 2HD PRO 66 2HD PRO 66 1.272 7.249 9.008 492 H GLY 67 H GLY 67 1.082 11.953 6.703 493 1HA GLY 67 1HA GLY 67 1.694 14.191 6.588 494 2HA GLY 67 2HA GLY 67 2.710 13.991 8.043 495 H LEU 68 H LEU 68 3.992 11.605 6.618 496 HA LEU 68 HA LEU 68 6.012 13.136 5.038 497 1HB LEU 68 1HB LEU 68 6.806 12.200 7.062 498 2HB LEU 68 2HB LEU 68 6.007 10.662 6.798 499 HG LEU 68 HG LEU 68 7.567 9.980 5.151 500 1HD1 LEU 68 1HD1 LEU 68 9.529 11.335 4.490 501 2HD1 LEU 68 2HD1 LEU 68 8.858 12.738 5.363 502 3HD1 LEU 68 3HD1 LEU 68 8.033 12.076 3.932 503 1HD2 LEU 68 1HD2 LEU 68 8.215 9.701 7.488 504 2HD2 LEU 68 2HD2 LEU 68 8.959 11.318 7.503 505 3HD2 LEU 68 3HD2 LEU 68 9.650 10.034 6.496 506 H TYR 69 H TYR 69 4.159 10.054 4.977 507 HA TYR 69 HA TYR 69 5.101 9.202 2.418 508 1HB TYR 69 1HB TYR 69 2.798 8.463 4.261 509 2HB TYR 69 2HB TYR 69 2.804 7.897 2.617 510 HD1 TYR 69 HD1 TYR 69 6.140 8.091 4.205 511 HD2 TYR 69 HD2 TYR 69 2.690 5.624 3.501 512 HE1 TYR 69 HE1 TYR 69 7.448 6.061 4.700 513 HE2 TYR 69 HE2 TYR 69 4.045 3.626 3.678 514 HH TYR 69 HH TYR 69 7.247 3.702 5.107 515 H ARG 70 H ARG 70 4.866 10.501 0.512 516 HA ARG 70 HA ARG 70 2.338 11.760 -0.148 517 1HB ARG 70 1HB ARG 70 4.698 12.428 -0.894 518 2HB ARG 70 2HB ARG 70 4.721 10.989 -1.788 519 1HG ARG 70 1HG ARG 70 4.181 12.698 -3.273 520 2HG ARG 70 2HG ARG 70 2.724 11.739 -3.129 521 1HD ARG 70 1HD ARG 70 1.794 13.433 -1.550 522 2HD ARG 70 2HD ARG 70 3.257 14.410 -1.757 523 HE ARG 70 HE ARG 70 1.011 14.187 -3.559 524 1HH1 ARG 70 1HH1 ARG 70 4.519 14.570 -3.672 525 2HH1 ARG 70 2HH1 ARG 70 4.507 15.245 -5.267 526 1HH2 ARG 70 1HH2 ARG 70 1.051 15.099 -5.628 527 2HH2 ARG 70 2HH2 ARG 70 2.559 15.618 -6.324 528 H VAL 71 H VAL 71 0.941 9.725 0.203 529 HA VAL 71 HA VAL 71 1.397 7.583 -1.726 530 HB VAL 71 HB VAL 71 -1.013 7.827 0.035 531 1HG1 VAL 71 1HG1 VAL 71 0.279 5.476 -1.443 532 2HG1 VAL 71 2HG1 VAL 71 -1.050 5.337 -0.279 533 3HG1 VAL 71 3HG1 VAL 71 -1.309 6.190 -1.801 534 1HG2 VAL 71 1HG2 VAL 71 0.275 6.243 1.500 535 2HG2 VAL 71 2HG2 VAL 71 1.705 6.517 0.483 536 3HG2 VAL 71 3HG2 VAL 71 1.001 7.845 1.413 537 H SER 72 H SER 72 0.738 7.457 -3.726 538 HA SER 72 HA SER 72 -1.962 8.506 -4.478 539 1HB SER 72 1HB SER 72 -0.830 9.015 -6.787 540 2HB SER 72 2HB SER 72 -0.796 10.192 -5.473 541 HG SER 72 HG SER 72 1.333 8.380 -5.959 542 H ILE 73 H ILE 73 -3.036 7.350 -6.122 543 HA ILE 73 HA ILE 73 -2.278 4.518 -6.495 544 HB ILE 73 HB ILE 73 -4.503 6.267 -7.644 545 1HG1 ILE 73 1HG1 ILE 73 -4.751 4.076 -5.547 546 2HG1 ILE 73 2HG1 ILE 73 -4.578 5.773 -5.111 547 1HG2 ILE 73 1HG2 ILE 73 -3.952 4.330 -9.137 548 2HG2 ILE 73 2HG2 ILE 73 -4.230 3.228 -7.769 549 3HG2 ILE 73 3HG2 ILE 73 -5.556 4.194 -8.436 550 1HD1 ILE 73 1HD1 ILE 73 -6.899 5.198 -5.006 551 2HD1 ILE 73 2HD1 ILE 73 -6.657 6.312 -6.367 552 3HD1 ILE 73 3HD1 ILE 73 -6.893 4.574 -6.665 553 H THR 74 H THR 74 -0.991 3.836 -8.157 554 HA THR 74 HA THR 74 -0.679 5.651 -10.505 555 HB THR 74 HB THR 74 1.326 5.614 -9.230 556 HG1 THR 74 HG1 THR 74 2.525 5.303 -11.019 557 1HG2 THR 74 1HG2 THR 74 1.319 3.346 -8.218 558 2HG2 THR 74 2HG2 THR 74 2.817 3.704 -9.100 559 3HG2 THR 74 3HG2 THR 74 1.610 2.644 -9.832 560 H SER 75 H SER 75 -1.982 4.997 -11.971 561 HA SER 75 HA SER 75 -1.822 2.382 -13.235 562 1HB SER 75 1HB SER 75 -4.383 3.388 -11.897 563 2HB SER 75 2HB SER 75 -4.331 2.095 -13.093 564 HG SER 75 HG SER 75 -4.402 1.364 -10.892 565 H GLU 76 H GLU 76 -3.103 2.523 -15.368 566 HA GLU 76 HA GLU 76 -3.518 5.253 -16.380 567 1HB GLU 76 1HB GLU 76 -2.874 3.180 -17.836 568 2HB GLU 76 2HB GLU 76 -4.575 2.721 -17.633 569 1HG GLU 76 1HG GLU 76 -4.699 4.057 -19.539 570 2HG GLU 76 2HG GLU 76 -5.048 5.250 -18.332 571 H VAL 77 H VAL 77 -5.335 6.211 -16.176 572 HA VAL 77 HA VAL 77 -7.838 4.911 -15.242 573 HB VAL 77 HB VAL 77 -8.297 6.682 -13.631 574 1HG1 VAL 77 1HG1 VAL 77 -5.622 5.388 -12.960 575 2HG1 VAL 77 2HG1 VAL 77 -6.850 5.982 -11.831 576 3HG1 VAL 77 3HG1 VAL 77 -7.206 4.584 -12.858 577 1HG2 VAL 77 1HG2 VAL 77 -6.565 8.231 -12.823 578 2HG2 VAL 77 2HG2 VAL 77 -5.461 7.696 -14.103 579 3HG2 VAL 77 3HG2 VAL 77 -6.972 8.549 -14.508 Start of MODEL 3 1 1H ASN 1 1HT ASN 1 -13.212 -14.522 -4.155 2 HA ASN 1 HA ASN 1 -13.135 -13.351 -6.834 3 1HB ASN 1 1HB ASN 1 -15.549 -13.411 -6.330 4 2HB ASN 1 2HB ASN 1 -15.265 -12.544 -4.819 5 1HD2 ASN 1 1HD2 ASN 1 -13.143 -11.026 -7.062 6 2HD2 ASN 1 2HD2 ASN 1 -14.264 -9.833 -7.607 7 H ASP 2 H ASP 2 -11.181 -12.454 -6.638 8 HA ASP 2 HA ASP 2 -10.466 -10.793 -4.350 9 1HB ASP 2 1HB ASP 2 -8.234 -10.818 -5.416 10 2HB ASP 2 2HB ASP 2 -8.842 -12.411 -5.014 11 H SER 3 H SER 3 -9.401 -8.775 -4.689 12 HA SER 3 HA SER 3 -9.892 -7.258 -7.156 13 1HB SER 3 1HB SER 3 -11.758 -6.668 -5.646 14 2HB SER 3 2HB SER 3 -10.613 -6.189 -4.393 15 HG SER 3 HG SER 3 -11.607 -4.556 -5.914 16 H THR 4 H THR 4 -8.629 -5.041 -6.770 17 HA THR 4 HA THR 4 -6.098 -5.320 -5.358 18 HB THR 4 HB THR 4 -6.319 -6.212 -8.232 19 HG1 THR 4 HG1 THR 4 -6.141 -7.452 -6.183 20 1HG2 THR 4 1HG2 THR 4 -3.724 -5.186 -6.983 21 2HG2 THR 4 2HG2 THR 4 -4.534 -4.503 -8.423 22 3HG2 THR 4 3HG2 THR 4 -3.866 -6.137 -8.471 23 H ALA 5 H ALA 5 -4.686 -3.614 -5.687 24 HA ALA 5 HA ALA 5 -5.238 -1.513 -7.553 25 1HB ALA 5 1HB ALA 5 -5.430 0.300 -5.780 26 2HB ALA 5 2HB ALA 5 -6.839 -0.786 -5.890 27 3HB ALA 5 3HB ALA 5 -5.650 -0.995 -4.586 28 H THR 6 H THR 6 -3.534 0.175 -7.485 29 HA THR 6 HA THR 6 -0.966 -0.717 -6.238 30 HB THR 6 HB THR 6 -1.328 0.560 -8.963 31 HG1 THR 6 HG1 THR 6 -0.788 -1.489 -9.716 32 1HG2 THR 6 1HG2 THR 6 1.093 -0.501 -7.464 33 2HG2 THR 6 2HG2 THR 6 0.814 1.139 -8.083 34 3HG2 THR 6 3HG2 THR 6 1.089 -0.187 -9.221 35 H PHE 7 H PHE 7 0.330 0.819 -5.448 36 HA PHE 7 HA PHE 7 -0.621 3.627 -5.364 37 1HB PHE 7 1HB PHE 7 0.108 2.007 -2.920 38 2HB PHE 7 2HB PHE 7 -0.488 3.636 -2.964 39 HD1 PHE 7 HD1 PHE 7 -2.917 4.173 -3.314 40 HD2 PHE 7 HD2 PHE 7 -1.527 0.055 -3.302 41 HE1 PHE 7 HE1 PHE 7 -5.229 3.338 -3.285 42 HE2 PHE 7 HE2 PHE 7 -3.808 -0.717 -3.247 43 HZ PHE 7 HZ PHE 7 -5.701 0.917 -3.220 44 H ILE 8 H ILE 8 0.974 5.151 -5.036 45 HA ILE 8 HA ILE 8 3.734 4.221 -4.549 46 HB ILE 8 HB ILE 8 3.205 4.428 -6.971 47 1HG1 ILE 8 1HG1 ILE 8 5.217 6.524 -5.993 48 2HG1 ILE 8 2HG1 ILE 8 5.443 4.788 -5.806 49 1HG2 ILE 8 1HG2 ILE 8 1.639 6.273 -6.964 50 2HG2 ILE 8 2HG2 ILE 8 2.920 7.406 -6.467 51 3HG2 ILE 8 3HG2 ILE 8 2.981 6.603 -8.052 52 1HD1 ILE 8 1HD1 ILE 8 5.216 6.193 -8.480 53 2HD1 ILE 8 2HD1 ILE 8 6.682 5.521 -7.735 54 3HD1 ILE 8 3HD1 ILE 8 5.370 4.432 -8.219 55 H ILE 9 H ILE 9 4.923 5.224 -3.267 56 HA ILE 9 HA ILE 9 3.667 7.318 -1.706 57 HB ILE 9 HB ILE 9 5.899 5.473 -0.828 58 1HG1 ILE 9 1HG1 ILE 9 4.110 4.389 0.564 59 2HG1 ILE 9 2HG1 ILE 9 2.906 5.079 -0.445 60 1HG2 ILE 9 1HG2 ILE 9 3.990 7.392 0.620 61 2HG2 ILE 9 2HG2 ILE 9 5.135 6.283 1.417 62 3HG2 ILE 9 3HG2 ILE 9 5.722 7.601 0.418 63 1HD1 ILE 9 1HD1 ILE 9 3.513 2.682 -0.804 64 2HD1 ILE 9 2HD1 ILE 9 3.769 3.617 -2.283 65 3HD1 ILE 9 3HD1 ILE 9 5.153 3.177 -1.230 66 H ASP 10 H ASP 10 4.420 9.268 -2.315 67 HA ASP 10 HA ASP 10 7.120 9.588 -3.344 68 1HB ASP 10 1HB ASP 10 4.832 10.584 -4.147 69 2HB ASP 10 2HB ASP 10 5.131 11.821 -2.960 70 H GLY 11 H GLY 11 7.315 8.792 -0.822 71 1HA GLY 11 1HA GLY 11 9.128 10.700 0.377 72 2HA GLY 11 2HA GLY 11 7.637 10.617 1.291 73 H MET 12 H MET 12 8.298 7.444 0.056 74 HA MET 12 HA MET 12 8.680 6.652 2.822 75 1HB MET 12 1HB MET 12 8.154 4.481 2.170 76 2HB MET 12 2HB MET 12 7.285 5.438 1.065 77 1HG MET 12 1HG MET 12 9.198 5.111 -0.596 78 2HG MET 12 2HG MET 12 9.853 3.947 0.548 79 1HE MET 12 1HE MET 12 9.473 1.482 0.152 80 2HE MET 12 2HE MET 12 8.597 0.998 -1.314 81 3HE MET 12 3HE MET 12 9.890 2.208 -1.422 82 H HIS 13 H HIS 13 10.339 5.655 3.868 83 HA HIS 13 HA HIS 13 13.049 6.147 3.174 84 1HB HIS 13 1HB HIS 13 12.025 4.088 5.123 85 2HB HIS 13 2HB HIS 13 13.593 4.874 5.150 86 HD1 HIS 13 HD1 HIS 13 12.468 5.103 7.799 87 HD2 HIS 13 HD2 HIS 13 11.238 7.724 4.749 88 HE1 HIS 13 HE1 HIS 13 11.449 7.136 8.947 89 H CYS 14 H CYS 14 11.724 4.480 1.089 90 HA CYS 14 HA CYS 14 12.135 2.672 -0.295 91 1HB CYS 14 1HB CYS 14 14.919 3.447 0.602 92 2HB CYS 14 2HB CYS 14 14.537 2.487 -0.854 93 HG CYS 14 HG CYS 14 13.336 5.525 -0.134 94 H LYS 15 H LYS 15 14.799 1.034 0.645 95 HA LYS 15 HA LYS 15 13.450 -1.371 0.915 96 1HB LYS 15 1HB LYS 15 16.261 -0.499 1.677 97 2HB LYS 15 2HB LYS 15 15.695 -2.130 2.015 98 1HG LYS 15 1HG LYS 15 16.812 -2.286 -0.037 99 2HG LYS 15 2HG LYS 15 15.086 -2.435 -0.364 100 1HD LYS 15 1HD LYS 15 15.045 -0.068 -1.144 101 2HD LYS 15 2HD LYS 15 16.780 0.069 -0.822 102 1HE LYS 15 1HE LYS 15 15.411 -1.783 -2.851 103 2HE LYS 15 2HE LYS 15 16.215 -0.275 -3.221 104 1HZ LYS 15 1HZ LYS 15 17.515 -2.740 -2.259 105 2HZ LYS 15 2HZ LYS 15 18.305 -1.283 -2.527 106 3HZ LYS 15 3HZ LYS 15 17.557 -2.046 -3.744 107 H SER 16 H SER 16 14.264 0.740 3.703 108 HA SER 16 HA SER 16 13.220 -1.344 5.563 109 1HB SER 16 1HB SER 16 13.806 1.563 6.195 110 2HB SER 16 2HB SER 16 13.602 0.201 7.314 111 HG SER 16 HG SER 16 15.834 0.584 7.027 112 H CYS 17 H CYS 17 11.860 1.533 3.864 113 HA CYS 17 HA CYS 17 9.409 1.411 5.460 114 1HB CYS 17 1HB CYS 17 10.574 3.048 3.288 115 2HB CYS 17 2HB CYS 17 8.862 2.783 3.134 116 HG CYS 17 HG CYS 17 8.032 3.745 5.328 117 H VAL 18 H VAL 18 10.516 0.096 2.357 118 HA VAL 18 HA VAL 18 8.295 -1.098 1.319 119 HB VAL 18 HB VAL 18 11.179 -2.037 1.594 120 1HG1 VAL 18 1HG1 VAL 18 9.804 -4.162 1.303 121 2HG1 VAL 18 2HG1 VAL 18 9.344 -3.480 -0.286 122 3HG1 VAL 18 3HG1 VAL 18 11.023 -3.822 0.087 123 1HG2 VAL 18 1HG2 VAL 18 11.285 -1.610 -0.827 124 2HG2 VAL 18 2HG2 VAL 18 9.576 -1.127 -0.816 125 3HG2 VAL 18 3HG2 VAL 18 10.787 -0.185 0.057 126 H SER 19 H SER 19 10.335 -2.722 3.804 127 HA SER 19 HA SER 19 8.640 -4.890 4.377 128 1HB SER 19 1HB SER 19 11.047 -4.556 5.021 129 2HB SER 19 2HB SER 19 10.537 -3.384 6.239 130 HG SER 19 HG SER 19 9.747 -6.132 6.131 131 H ASN 20 H ASN 20 8.570 -1.641 6.007 132 HA ASN 20 HA ASN 20 6.427 -2.325 7.808 133 1HB ASN 20 1HB ASN 20 6.989 0.303 6.433 134 2HB ASN 20 2HB ASN 20 5.930 0.109 7.782 135 1HD2 ASN 20 1HD2 ASN 20 8.666 1.402 7.174 136 2HD2 ASN 20 2HD2 ASN 20 9.735 0.767 8.390 137 H ILE 21 H ILE 21 6.414 -1.285 4.389 138 HA ILE 21 HA ILE 21 3.532 -0.843 4.399 139 HB ILE 21 HB ILE 21 5.007 -1.309 1.822 140 1HG1 ILE 21 1HG1 ILE 21 5.766 0.855 3.758 141 2HG1 ILE 21 2HG1 ILE 21 6.564 0.150 2.384 142 1HG2 ILE 21 1HG2 ILE 21 2.741 0.531 2.716 143 2HG2 ILE 21 2HG2 ILE 21 3.317 0.331 1.036 144 3HG2 ILE 21 3HG2 ILE 21 2.557 -1.010 1.866 145 1HD1 ILE 21 1HD1 ILE 21 4.481 2.267 2.024 146 2HD1 ILE 21 2HD1 ILE 21 6.243 2.455 1.921 147 3HD1 ILE 21 3HD1 ILE 21 5.401 1.438 0.753 148 H GLU 22 H GLU 22 5.583 -3.626 3.537 149 HA GLU 22 HA GLU 22 3.560 -5.435 2.676 150 1HB GLU 22 1HB GLU 22 6.182 -5.742 4.192 151 2HB GLU 22 2HB GLU 22 5.192 -7.123 3.796 152 1HG GLU 22 1HG GLU 22 5.415 -6.733 1.435 153 2HG GLU 22 2HG GLU 22 6.119 -5.145 1.720 154 H SER 23 H SER 23 4.863 -4.845 5.981 155 HA SER 23 HA SER 23 3.033 -6.625 7.239 156 1HB SER 23 1HB SER 23 5.275 -5.860 8.070 157 2HB SER 23 2HB SER 23 4.584 -4.263 8.395 158 HG SER 23 HG SER 23 4.603 -5.549 10.271 159 H THR 24 H THR 24 2.892 -3.053 7.266 160 HA THR 24 HA THR 24 0.572 -2.875 8.910 161 HB THR 24 HB THR 24 1.764 -0.880 6.893 162 HG1 THR 24 HG1 THR 24 2.707 -0.112 8.789 163 1HG2 THR 24 1HG2 THR 24 -0.533 -0.176 7.423 164 2HG2 THR 24 2HG2 THR 24 0.609 0.846 8.298 165 3HG2 THR 24 3HG2 THR 24 -0.252 -0.454 9.154 166 H LEU 25 H LEU 25 0.882 -3.098 5.393 167 HA LEU 25 HA LEU 25 -2.012 -2.878 5.030 168 1HB LEU 25 1HB LEU 25 0.286 -3.626 3.220 169 2HB LEU 25 2HB LEU 25 -1.364 -3.743 2.682 170 HG LEU 25 HG LEU 25 0.055 -1.600 2.121 171 1HD1 LEU 25 1HD1 LEU 25 -2.204 -1.969 1.409 172 2HD1 LEU 25 2HD1 LEU 25 -2.077 -0.312 2.012 173 3HD1 LEU 25 3HD1 LEU 25 -2.848 -1.548 3.010 174 1HD2 LEU 25 1HD2 LEU 25 -0.380 0.319 3.636 175 2HD2 LEU 25 2HD2 LEU 25 0.663 -0.880 4.397 176 3HD2 LEU 25 3HD2 LEU 25 -1.064 -0.748 4.835 177 H SER 26 H SER 26 0.347 -5.696 4.998 178 HA SER 26 HA SER 26 -1.811 -7.455 4.161 179 1HB SER 26 1HB SER 26 0.570 -7.884 3.660 180 2HB SER 26 2HB SER 26 0.872 -8.184 5.364 181 HG SER 26 HG SER 26 -0.893 -9.787 5.155 182 H ALA 27 H ALA 27 -1.835 -5.922 6.889 183 HA ALA 27 HA ALA 27 -2.639 -8.179 8.685 184 1HB ALA 27 1HB ALA 27 -0.831 -6.701 9.553 185 2HB ALA 27 2HB ALA 27 -1.866 -5.281 9.304 186 3HB ALA 27 3HB ALA 27 -2.322 -6.515 10.502 187 H LEU 28 H LEU 28 -3.941 -5.919 6.478 188 HA LEU 28 HA LEU 28 -6.040 -4.935 8.171 189 1HB LEU 28 1HB LEU 28 -5.701 -4.870 5.150 190 2HB LEU 28 2HB LEU 28 -6.925 -3.987 6.057 191 HG LEU 28 HG LEU 28 -3.968 -3.572 6.637 192 1HD1 LEU 28 1HD1 LEU 28 -4.454 -3.166 4.166 193 2HD1 LEU 28 2HD1 LEU 28 -3.848 -1.788 5.094 194 3HD1 LEU 28 3HD1 LEU 28 -5.555 -1.866 4.693 195 1HD2 LEU 28 1HD2 LEU 28 -5.530 -2.688 8.290 196 2HD2 LEU 28 2HD2 LEU 28 -6.443 -1.859 7.008 197 3HD2 LEU 28 3HD2 LEU 28 -4.759 -1.374 7.377 198 H GLN 29 H GLN 29 -7.952 -5.924 8.603 199 HA GLN 29 HA GLN 29 -8.328 -8.638 8.075 200 1HB GLN 29 1HB GLN 29 -10.348 -6.500 8.881 201 2HB GLN 29 2HB GLN 29 -10.651 -8.238 8.988 202 1HG GLN 29 1HG GLN 29 -8.923 -8.548 10.642 203 2HG GLN 29 2HG GLN 29 -8.313 -6.903 10.430 204 1HE2 GLN 29 1HE2 GLN 29 -11.165 -8.752 11.668 205 2HE2 GLN 29 2HE2 GLN 29 -11.681 -7.395 12.676 206 H TYR 30 H TYR 30 -9.121 -6.118 5.863 207 HA TYR 30 HA TYR 30 -10.876 -7.894 4.256 208 1HB TYR 30 1HB TYR 30 -10.967 -5.806 2.795 209 2HB TYR 30 2HB TYR 30 -11.739 -5.742 4.367 210 HD1 TYR 30 HD1 TYR 30 -11.558 -3.726 5.476 211 HD2 TYR 30 HD2 TYR 30 -8.173 -5.003 3.101 212 HE1 TYR 30 HE1 TYR 30 -10.401 -1.594 5.968 213 HE2 TYR 30 HE2 TYR 30 -7.072 -2.900 3.568 214 HH TYR 30 HH TYR 30 -8.461 -0.349 5.652 215 H VAL 31 H VAL 31 -7.453 -7.467 4.460 216 HA VAL 31 HA VAL 31 -7.224 -7.494 1.491 217 HB VAL 31 HB VAL 31 -5.878 -5.742 2.731 218 1HG1 VAL 31 1HG1 VAL 31 -4.178 -8.071 3.447 219 2HG1 VAL 31 2HG1 VAL 31 -3.752 -6.338 3.371 220 3HG1 VAL 31 3HG1 VAL 31 -5.026 -6.868 4.492 221 1HG2 VAL 31 1HG2 VAL 31 -4.246 -7.699 1.012 222 2HG2 VAL 31 2HG2 VAL 31 -5.375 -6.510 0.327 223 3HG2 VAL 31 3HG2 VAL 31 -3.952 -5.979 1.212 224 H SER 32 H SER 32 -6.129 -9.130 0.389 225 HA SER 32 HA SER 32 -5.950 -11.698 1.933 226 1HB SER 32 1HB SER 32 -7.787 -11.423 0.249 227 2HB SER 32 2HB SER 32 -6.551 -11.266 -1.009 228 HG SER 32 HG SER 32 -5.755 -13.358 -0.176 229 H SER 33 H SER 33 -4.031 -9.426 0.197 230 HA SER 33 HA SER 33 -1.538 -10.747 0.381 231 1HB SER 33 1HB SER 33 -3.110 -11.261 -2.099 232 2HB SER 33 2HB SER 33 -1.403 -10.969 -2.294 233 HG SER 33 HG SER 33 -2.591 -12.825 -0.510 234 H ILE 34 H ILE 34 0.038 -9.767 -1.199 235 HA ILE 34 HA ILE 34 -0.185 -7.077 -2.145 236 HB ILE 34 HB ILE 34 -0.478 -6.559 0.233 237 1HG1 ILE 34 1HG1 ILE 34 2.352 -5.742 -0.515 238 2HG1 ILE 34 2HG1 ILE 34 0.908 -5.062 -1.271 239 1HG2 ILE 34 1HG2 ILE 34 1.283 -7.029 1.912 240 2HG2 ILE 34 2HG2 ILE 34 0.588 -8.514 1.282 241 3HG2 ILE 34 3HG2 ILE 34 2.184 -7.970 0.720 242 1HD1 ILE 34 1HD1 ILE 34 0.093 -4.301 0.927 243 2HD1 ILE 34 2HD1 ILE 34 1.585 -4.879 1.687 244 3HD1 ILE 34 3HD1 ILE 34 1.655 -3.580 0.487 245 H VAL 35 H VAL 35 1.696 -6.384 -3.110 246 HA VAL 35 HA VAL 35 4.253 -7.813 -2.690 247 HB VAL 35 HB VAL 35 2.963 -7.379 -5.425 248 1HG1 VAL 35 1HG1 VAL 35 5.143 -8.134 -6.426 249 2HG1 VAL 35 2HG1 VAL 35 5.242 -6.543 -5.682 250 3HG1 VAL 35 3HG1 VAL 35 5.903 -7.958 -4.830 251 1HG2 VAL 35 1HG2 VAL 35 2.520 -9.587 -4.380 252 2HG2 VAL 35 2HG2 VAL 35 3.677 -9.817 -5.697 253 3HG2 VAL 35 3HG2 VAL 35 4.257 -9.758 -4.010 254 H VAL 36 H VAL 36 5.790 -6.429 -2.502 255 HA VAL 36 HA VAL 36 5.244 -3.548 -3.191 256 HB VAL 36 HB VAL 36 5.331 -3.929 -0.816 257 1HG1 VAL 36 1HG1 VAL 36 8.115 -5.008 -1.369 258 2HG1 VAL 36 2HG1 VAL 36 7.493 -4.543 0.228 259 3HG1 VAL 36 3HG1 VAL 36 6.721 -5.862 -0.669 260 1HG2 VAL 36 1HG2 VAL 36 7.763 -2.348 -1.718 261 2HG2 VAL 36 2HG2 VAL 36 6.089 -1.754 -1.682 262 3HG2 VAL 36 3HG2 VAL 36 6.897 -2.203 -0.177 263 H SER 37 H SER 37 6.937 -2.228 -3.952 264 HA SER 37 HA SER 37 8.783 -3.650 -5.800 265 1HB SER 37 1HB SER 37 8.413 -0.667 -5.366 266 2HB SER 37 2HB SER 37 9.172 -1.465 -6.757 267 HG SER 37 HG SER 37 6.518 -1.926 -5.931 268 H LEU 38 H LEU 38 10.687 -4.364 -4.801 269 HA LEU 38 HA LEU 38 11.618 -3.418 -2.353 270 1HB LEU 38 1HB LEU 38 12.089 -5.558 -3.777 271 2HB LEU 38 2HB LEU 38 13.361 -4.619 -4.552 272 HG LEU 38 HG LEU 38 14.021 -6.255 -2.759 273 1HD1 LEU 38 1HD1 LEU 38 15.537 -4.515 -3.513 274 2HD1 LEU 38 2HD1 LEU 38 15.757 -4.882 -1.786 275 3HD1 LEU 38 3HD1 LEU 38 14.858 -3.438 -2.270 276 1HD2 LEU 38 1HD2 LEU 38 13.074 -4.134 -0.806 277 2HD2 LEU 38 2HD2 LEU 38 13.822 -5.694 -0.424 278 3HD2 LEU 38 3HD2 LEU 38 12.188 -5.654 -1.117 279 H GLU 39 H GLU 39 12.635 -2.432 -5.584 280 HA GLU 39 HA GLU 39 14.573 -0.535 -4.632 281 1HB GLU 39 1HB GLU 39 14.222 -2.259 -6.840 282 2HB GLU 39 2HB GLU 39 13.916 -0.693 -7.544 283 1HG GLU 39 1HG GLU 39 16.271 -1.243 -7.768 284 2HG GLU 39 2HG GLU 39 16.045 0.138 -6.676 285 H ASN 40 H ASN 40 11.277 -0.275 -5.636 286 HA ASN 40 HA ASN 40 11.567 2.630 -6.363 287 1HB ASN 40 1HB ASN 40 9.894 0.461 -7.629 288 2HB ASN 40 2HB ASN 40 9.351 2.141 -7.650 289 1HD2 ASN 40 1HD2 ASN 40 12.289 0.168 -8.367 290 2HD2 ASN 40 2HD2 ASN 40 12.902 1.334 -9.516 291 H ARG 41 H ARG 41 9.731 3.995 -5.736 292 HA ARG 41 HA ARG 41 9.040 3.295 -3.043 293 1HB ARG 41 1HB ARG 41 8.445 5.502 -2.666 294 2HB ARG 41 2HB ARG 41 9.974 5.437 -3.485 295 1HG ARG 41 1HG ARG 41 7.376 6.166 -4.912 296 2HG ARG 41 2HG ARG 41 8.340 7.296 -3.980 297 1HD ARG 41 1HD ARG 41 10.306 6.545 -5.560 298 2HD ARG 41 2HD ARG 41 8.947 6.156 -6.635 299 HE ARG 41 HE ARG 41 8.242 8.629 -5.686 300 1HH1 ARG 41 1HH1 ARG 41 11.281 7.717 -7.255 301 2HH1 ARG 41 2HH1 ARG 41 11.679 9.384 -7.559 302 1HH2 ARG 41 1HH2 ARG 41 8.765 10.652 -6.087 303 2HH2 ARG 41 2HH2 ARG 41 10.251 11.067 -6.885 304 H SER 42 H SER 42 7.608 1.539 -4.567 305 HA SER 42 HA SER 42 4.730 2.325 -4.205 306 1HB SER 42 1HB SER 42 4.406 1.074 -6.461 307 2HB SER 42 2HB SER 42 5.046 2.702 -6.478 308 HG SER 42 HG SER 42 6.477 0.256 -6.844 309 H ALA 43 H ALA 43 3.149 0.715 -4.307 310 HA ALA 43 HA ALA 43 3.885 -2.125 -3.790 311 1HB ALA 43 1HB ALA 43 3.819 -1.033 -1.566 312 2HB ALA 43 2HB ALA 43 2.197 -0.343 -1.933 313 3HB ALA 43 3HB ALA 43 2.441 -2.109 -1.766 314 H ILE 44 H ILE 44 2.466 -3.552 -4.466 315 HA ILE 44 HA ILE 44 -0.112 -2.726 -5.752 316 HB ILE 44 HB ILE 44 1.631 -5.174 -6.253 317 1HG1 ILE 44 1HG1 ILE 44 1.130 -2.794 -8.097 318 2HG1 ILE 44 2HG1 ILE 44 2.603 -2.999 -7.152 319 1HG2 ILE 44 1HG2 ILE 44 0.011 -5.647 -8.070 320 2HG2 ILE 44 2HG2 ILE 44 -0.811 -5.583 -6.522 321 3HG2 ILE 44 3HG2 ILE 44 -0.921 -4.199 -7.629 322 1HD1 ILE 44 1HD1 ILE 44 1.632 -4.810 -9.387 323 2HD1 ILE 44 2HD1 ILE 44 3.045 -3.745 -9.377 324 3HD1 ILE 44 3HD1 ILE 44 3.016 -5.175 -8.323 325 H VAL 45 H VAL 45 -1.858 -3.384 -4.569 326 HA VAL 45 HA VAL 45 -1.428 -5.266 -2.251 327 HB VAL 45 HB VAL 45 -3.240 -2.872 -2.434 328 1HG1 VAL 45 1HG1 VAL 45 -2.402 -4.683 -0.109 329 2HG1 VAL 45 2HG1 VAL 45 -3.405 -3.232 0.053 330 3HG1 VAL 45 3HG1 VAL 45 -4.022 -4.613 -0.847 331 1HG2 VAL 45 1HG2 VAL 45 -0.920 -2.057 -2.399 332 2HG2 VAL 45 2HG2 VAL 45 -1.711 -1.734 -0.862 333 3HG2 VAL 45 3HG2 VAL 45 -0.566 -3.085 -1.000 334 H VAL 46 H VAL 46 -3.012 -6.875 -1.997 335 HA VAL 46 HA VAL 46 -5.116 -7.048 -4.134 336 HB VAL 46 HB VAL 46 -3.426 -9.260 -2.925 337 1HG1 VAL 46 1HG1 VAL 46 -4.298 -10.722 -4.637 338 2HG1 VAL 46 2HG1 VAL 46 -5.638 -10.065 -3.695 339 3HG1 VAL 46 3HG1 VAL 46 -5.301 -9.413 -5.314 340 1HG2 VAL 46 1HG2 VAL 46 -1.932 -7.951 -4.278 341 2HG2 VAL 46 2HG2 VAL 46 -2.303 -9.449 -5.125 342 3HG2 VAL 46 3HG2 VAL 46 -3.082 -7.936 -5.632 343 H TYR 47 H TYR 47 -7.069 -6.849 -3.160 344 HA TYR 47 HA TYR 47 -7.456 -7.906 -0.388 345 1HB TYR 47 1HB TYR 47 -8.681 -5.918 0.216 346 2HB TYR 47 2HB TYR 47 -7.110 -5.465 -0.364 347 HD1 TYR 47 HD1 TYR 47 -6.731 -4.548 -2.606 348 HD2 TYR 47 HD2 TYR 47 -10.692 -5.096 -1.012 349 HE1 TYR 47 HE1 TYR 47 -7.607 -2.951 -4.281 350 HE2 TYR 47 HE2 TYR 47 -11.602 -3.566 -2.781 351 HH TYR 47 HH TYR 47 -9.490 -2.225 -5.327 352 H ASN 48 H ASN 48 -9.806 -8.007 0.286 353 HA ASN 48 HA ASN 48 -11.112 -9.710 -1.759 354 1HB ASN 48 1HB ASN 48 -10.580 -10.675 0.411 355 2HB ASN 48 2HB ASN 48 -11.425 -9.376 1.259 356 1HD2 ASN 48 1HD2 ASN 48 -13.856 -9.189 0.816 357 2HD2 ASN 48 2HD2 ASN 48 -14.688 -10.734 0.581 358 H ALA 49 H ALA 49 -12.571 -8.738 -3.061 359 HA ALA 49 HA ALA 49 -15.001 -7.637 -2.086 360 1HB ALA 49 1HB ALA 49 -13.656 -5.591 -1.629 361 2HB ALA 49 2HB ALA 49 -13.023 -5.639 -3.287 362 3HB ALA 49 3HB ALA 49 -14.742 -5.304 -2.991 363 H SER 50 H SER 50 -16.536 -7.348 -3.796 364 HA SER 50 HA SER 50 -15.779 -8.383 -6.457 365 1HB SER 50 1HB SER 50 -18.490 -7.504 -5.386 366 2HB SER 50 2HB SER 50 -18.174 -8.443 -6.858 367 HG SER 50 HG SER 50 -17.403 -10.123 -5.582 368 H SER 51 H SER 51 -14.720 -5.732 -5.539 369 HA SER 51 HA SER 51 -15.532 -4.033 -7.663 370 1HB SER 51 1HB SER 51 -17.581 -3.867 -6.239 371 2HB SER 51 2HB SER 51 -16.583 -3.188 -4.942 372 HG SER 51 HG SER 51 -17.707 -1.676 -6.415 373 H VAL 52 H VAL 52 -14.901 -1.606 -6.838 374 HA VAL 52 HA VAL 52 -12.029 -1.808 -6.044 375 HB VAL 52 HB VAL 52 -11.786 0.404 -7.285 376 1HG1 VAL 52 1HG1 VAL 52 -10.859 -1.745 -8.048 377 2HG1 VAL 52 2HG1 VAL 52 -12.389 -2.136 -8.861 378 3HG1 VAL 52 3HG1 VAL 52 -11.405 -0.765 -9.416 379 1HG2 VAL 52 1HG2 VAL 52 -13.287 0.817 -9.181 380 2HG2 VAL 52 2HG2 VAL 52 -14.359 -0.499 -8.676 381 3HG2 VAL 52 3HG2 VAL 52 -14.193 0.957 -7.674 382 H THR 53 H THR 53 -11.639 -1.152 -4.087 383 HA THR 53 HA THR 53 -12.766 1.443 -3.124 384 HB THR 53 HB THR 53 -12.478 -0.954 -1.287 385 HG1 THR 53 HG1 THR 53 -14.788 -0.979 -1.476 386 1HG2 THR 53 1HG2 THR 53 -12.491 1.289 -0.189 387 2HG2 THR 53 2HG2 THR 53 -13.982 0.410 0.156 388 3HG2 THR 53 3HG2 THR 53 -13.979 1.710 -1.055 389 HA PRO 54 HA PRO 54 -8.142 0.749 -2.897 390 1HB PRO 54 1HB PRO 54 -7.170 2.651 -4.569 391 2HB PRO 54 2HB PRO 54 -7.925 1.154 -5.181 392 1HG PRO 54 1HG PRO 54 -9.265 3.856 -4.822 393 2HG PRO 54 2HG PRO 54 -9.224 2.831 -6.296 394 1HD PRO 54 1HD PRO 54 -11.317 2.716 -4.566 395 2HD PRO 54 2HD PRO 54 -10.675 1.245 -5.353 396 H GLU 55 H GLU 55 -9.964 3.782 -2.390 397 HA GLU 55 HA GLU 55 -7.886 5.375 -1.358 398 1HB GLU 55 1HB GLU 55 -10.872 5.328 -1.124 399 2HB GLU 55 2HB GLU 55 -10.021 6.251 0.107 400 1HG GLU 55 1HG GLU 55 -9.541 6.655 -2.870 401 2HG GLU 55 2HG GLU 55 -10.723 7.569 -1.924 402 H SER 56 H SER 56 -9.678 2.774 0.389 403 HA SER 56 HA SER 56 -8.807 3.523 2.996 404 1HB SER 56 1HB SER 56 -9.382 0.726 2.011 405 2HB SER 56 2HB SER 56 -9.681 1.414 3.605 406 HG SER 56 HG SER 56 -11.600 1.216 2.259 407 H LEU 57 H LEU 57 -7.339 1.545 0.432 408 HA LEU 57 HA LEU 57 -5.212 0.479 2.163 409 1HB LEU 57 1HB LEU 57 -5.429 0.598 -0.859 410 2HB LEU 57 2HB LEU 57 -4.222 -0.295 0.058 411 HG LEU 57 HG LEU 57 -7.218 -0.879 -0.078 412 1HD1 LEU 57 1HD1 LEU 57 -5.972 -3.069 -1.067 413 2HD1 LEU 57 2HD1 LEU 57 -4.756 -1.847 -1.467 414 3HD1 LEU 57 3HD1 LEU 57 -6.395 -1.660 -2.088 415 1HD2 LEU 57 1HD2 LEU 57 -6.342 -1.548 2.123 416 2HD2 LEU 57 2HD2 LEU 57 -5.058 -2.507 1.365 417 3HD2 LEU 57 3HD2 LEU 57 -6.751 -2.969 1.126 418 H ARG 58 H ARG 58 -5.527 3.049 -0.354 419 HA ARG 58 HA ARG 58 -2.953 4.158 -0.221 420 1HB ARG 58 1HB ARG 58 -4.896 4.754 -1.723 421 2HB ARG 58 2HB ARG 58 -5.591 5.694 -0.471 422 1HG ARG 58 1HG ARG 58 -2.759 6.183 -1.336 423 2HG ARG 58 2HG ARG 58 -4.061 6.763 -2.351 424 1HD ARG 58 1HD ARG 58 -3.881 7.525 0.587 425 2HD ARG 58 2HD ARG 58 -3.022 8.404 -0.674 426 HE ARG 58 HE ARG 58 -5.897 8.061 -1.196 427 1HH1 ARG 58 1HH1 ARG 58 -3.477 10.309 0.184 428 2HH1 ARG 58 2HH1 ARG 58 -4.439 11.682 -0.274 429 1HH2 ARG 58 1HH2 ARG 58 -7.102 9.702 -1.446 430 2HH2 ARG 58 2HH2 ARG 58 -6.524 11.362 -1.250 431 H LYS 59 H LYS 59 -5.783 4.866 1.878 432 HA LYS 59 HA LYS 59 -4.361 6.506 3.744 433 1HB LYS 59 1HB LYS 59 -7.043 5.182 3.544 434 2HB LYS 59 2HB LYS 59 -6.491 5.619 5.135 435 1HG LYS 59 1HG LYS 59 -7.866 7.392 4.026 436 2HG LYS 59 2HG LYS 59 -6.289 7.923 4.614 437 1HD LYS 59 1HD LYS 59 -5.381 7.813 2.310 438 2HD LYS 59 2HD LYS 59 -6.950 7.327 1.689 439 1HE LYS 59 1HE LYS 59 -6.581 9.858 3.330 440 2HE LYS 59 2HE LYS 59 -6.141 9.821 1.627 441 1HZ LYS 59 1HZ LYS 59 -8.852 9.122 2.614 442 2HZ LYS 59 2HZ LYS 59 -8.379 9.182 1.051 443 3HZ LYS 59 3HZ LYS 59 -8.446 10.561 1.909 444 H ALA 60 H ALA 60 -4.762 2.891 3.761 445 HA ALA 60 HA ALA 60 -3.621 2.650 6.417 446 1HB ALA 60 1HB ALA 60 -3.684 0.650 4.119 447 2HB ALA 60 2HB ALA 60 -3.376 0.307 5.835 448 3HB ALA 60 3HB ALA 60 -4.976 0.878 5.323 449 H ILE 61 H ILE 61 -2.201 2.837 3.149 450 HA ILE 61 HA ILE 61 0.510 2.533 4.059 451 HB ILE 61 HB ILE 61 -0.492 3.995 1.560 452 1HG1 ILE 61 1HG1 ILE 61 0.394 1.095 1.799 453 2HG1 ILE 61 2HG1 ILE 61 -1.242 1.605 1.612 454 1HG2 ILE 61 1HG2 ILE 61 1.830 4.521 2.041 455 2HG2 ILE 61 2HG2 ILE 61 2.217 2.810 2.311 456 3HG2 ILE 61 3HG2 ILE 61 1.800 3.423 0.698 457 1HD1 ILE 61 1HD1 ILE 61 -0.575 0.892 -0.508 458 2HD1 ILE 61 2HD1 ILE 61 -0.692 2.663 -0.575 459 3HD1 ILE 61 3HD1 ILE 61 0.900 1.865 -0.486 460 H GLU 62 H GLU 62 -1.304 5.584 3.258 461 HA GLU 62 HA GLU 62 0.547 7.403 4.271 462 1HB GLU 62 1HB GLU 62 -2.498 7.506 4.205 463 2HB GLU 62 2HB GLU 62 -1.485 8.858 4.720 464 1HG GLU 62 1HG GLU 62 -0.291 8.845 2.611 465 2HG GLU 62 2HG GLU 62 -1.268 7.482 2.049 466 H ALA 63 H ALA 63 -1.475 5.211 6.174 467 HA ALA 63 HA ALA 63 -0.982 6.684 8.653 468 1HB ALA 63 1HB ALA 63 -2.319 3.993 8.136 469 2HB ALA 63 2HB ALA 63 -2.363 4.899 9.662 470 3HB ALA 63 3HB ALA 63 -3.155 5.564 8.220 471 H VAL 64 H VAL 64 1.085 4.884 6.966 472 HA VAL 64 HA VAL 64 2.260 3.491 9.323 473 HB VAL 64 HB VAL 64 2.042 2.415 6.907 474 1HG1 VAL 64 1HG1 VAL 64 3.812 2.431 5.510 475 2HG1 VAL 64 2HG1 VAL 64 3.347 4.129 5.792 476 3HG1 VAL 64 3HG1 VAL 64 4.809 3.478 6.560 477 1HG2 VAL 64 1HG2 VAL 64 3.896 0.930 7.544 478 2HG2 VAL 64 2HG2 VAL 64 4.662 2.225 8.506 479 3HG2 VAL 64 3HG2 VAL 64 3.153 1.476 9.065 480 H SER 65 H SER 65 2.903 6.168 7.073 481 HA SER 65 HA SER 65 4.557 7.285 9.211 482 1HB SER 65 1HB SER 65 5.896 7.658 6.595 483 2HB SER 65 2HB SER 65 6.463 7.513 8.253 484 HG SER 65 HG SER 65 5.827 5.222 8.064 485 HA PRO 66 HA PRO 66 1.356 9.957 7.196 486 1HB PRO 66 1HB PRO 66 0.274 10.924 9.606 487 2HB PRO 66 2HB PRO 66 -0.325 9.533 8.657 488 1HG PRO 66 1HG PRO 66 1.560 9.513 11.030 489 2HG PRO 66 2HG PRO 66 0.158 8.435 10.707 490 1HD PRO 66 1HD PRO 66 2.621 7.530 10.145 491 2HD PRO 66 2HD PRO 66 1.355 7.298 8.968 492 H GLY 67 H GLY 67 1.405 12.097 6.805 493 1HA GLY 67 1HA GLY 67 2.117 14.333 6.907 494 2HA GLY 67 2HA GLY 67 3.155 13.950 8.307 495 H LEU 68 H LEU 68 4.401 11.652 6.938 496 HA LEU 68 HA LEU 68 6.313 13.028 5.103 497 1HB LEU 68 1HB LEU 68 7.272 11.792 6.920 498 2HB LEU 68 2HB LEU 68 6.273 10.386 6.591 499 HG LEU 68 HG LEU 68 7.441 10.034 4.419 500 1HD1 LEU 68 1HD1 LEU 68 8.174 12.307 3.901 501 2HD1 LEU 68 2HD1 LEU 68 9.579 11.240 4.041 502 3HD1 LEU 68 3HD1 LEU 68 9.176 12.344 5.377 503 1HD2 LEU 68 1HD2 LEU 68 9.517 9.265 5.410 504 2HD2 LEU 68 2HD2 LEU 68 8.144 8.898 6.473 505 3HD2 LEU 68 3HD2 LEU 68 9.226 10.261 6.859 506 H TYR 69 H TYR 69 4.196 10.147 5.227 507 HA TYR 69 HA TYR 69 4.713 9.336 2.544 508 1HB TYR 69 1HB TYR 69 2.744 8.508 4.671 509 2HB TYR 69 2HB TYR 69 2.502 8.009 3.002 510 HD1 TYR 69 HD1 TYR 69 2.584 5.736 3.507 511 HD2 TYR 69 HD2 TYR 69 5.977 8.237 4.341 512 HE1 TYR 69 HE1 TYR 69 3.999 3.748 3.537 513 HE2 TYR 69 HE2 TYR 69 7.372 6.225 4.617 514 HH TYR 69 HH TYR 69 5.951 2.934 4.013 515 H ARG 70 H ARG 70 4.334 10.861 1.057 516 HA ARG 70 HA ARG 70 1.665 11.920 0.332 517 1HB ARG 70 1HB ARG 70 4.398 11.617 -0.884 518 2HB ARG 70 2HB ARG 70 3.015 11.696 -1.946 519 1HG ARG 70 1HG ARG 70 2.319 13.839 -0.983 520 2HG ARG 70 2HG ARG 70 3.740 13.832 0.122 521 1HD ARG 70 1HD ARG 70 5.205 13.659 -1.820 522 2HD ARG 70 2HD ARG 70 3.764 13.519 -2.880 523 HE ARG 70 HE ARG 70 3.621 15.974 -1.486 524 1HH1 ARG 70 1HH1 ARG 70 5.722 14.512 -4.014 525 2HH1 ARG 70 2HH1 ARG 70 5.949 16.018 -4.800 526 1HH2 ARG 70 1HH2 ARG 70 4.037 17.902 -2.573 527 2HH2 ARG 70 2HH2 ARG 70 5.066 17.903 -3.980 528 H VAL 71 H VAL 71 0.021 10.129 -0.261 529 HA VAL 71 HA VAL 71 1.327 7.940 -1.890 530 HB VAL 71 HB VAL 71 -1.050 7.403 -0.152 531 1HG1 VAL 71 1HG1 VAL 71 0.917 5.586 -1.645 532 2HG1 VAL 71 2HG1 VAL 71 -0.427 5.052 -0.614 533 3HG1 VAL 71 3HG1 VAL 71 -0.751 5.883 -2.135 534 1HG2 VAL 71 1HG2 VAL 71 0.566 6.212 1.303 535 2HG2 VAL 71 2HG2 VAL 71 1.905 6.757 0.269 536 3HG2 VAL 71 3HG2 VAL 71 1.024 7.914 1.219 537 H SER 72 H SER 72 0.642 7.416 -3.750 538 HA SER 72 HA SER 72 -1.767 8.785 -4.909 539 1HB SER 72 1HB SER 72 0.488 8.288 -6.733 540 2HB SER 72 2HB SER 72 -0.445 9.751 -6.469 541 HG SER 72 HG SER 72 1.703 8.831 -4.828 542 H ILE 73 H ILE 73 -3.107 7.460 -6.164 543 HA ILE 73 HA ILE 73 -2.386 4.640 -6.646 544 HB ILE 73 HB ILE 73 -4.724 6.346 -7.616 545 1HG1 ILE 73 1HG1 ILE 73 -4.646 4.292 -5.376 546 2HG1 ILE 73 2HG1 ILE 73 -4.615 6.030 -5.113 547 1HG2 ILE 73 1HG2 ILE 73 -5.823 4.217 -8.226 548 2HG2 ILE 73 2HG2 ILE 73 -4.322 4.398 -9.106 549 3HG2 ILE 73 3HG2 ILE 73 -4.389 3.310 -7.704 550 1HD1 ILE 73 1HD1 ILE 73 -6.846 5.272 -4.724 551 2HD1 ILE 73 2HD1 ILE 73 -6.843 6.240 -6.210 552 3HD1 ILE 73 3HD1 ILE 73 -6.930 4.463 -6.296 553 H THR 74 H THR 74 -1.192 3.867 -8.106 554 HA THR 74 HA THR 74 -0.587 5.446 -10.516 555 HB THR 74 HB THR 74 0.492 2.675 -10.367 556 HG1 THR 74 HG1 THR 74 1.136 4.651 -8.461 557 1HG2 THR 74 1HG2 THR 74 2.554 3.939 -10.861 558 2HG2 THR 74 2HG2 THR 74 1.706 5.469 -10.505 559 3HG2 THR 74 3HG2 THR 74 1.233 4.492 -11.917 560 H SER 75 H SER 75 -2.003 5.429 -12.114 561 HA SER 75 HA SER 75 -2.841 2.968 -13.439 562 1HB SER 75 1HB SER 75 -4.846 4.834 -12.094 563 2HB SER 75 2HB SER 75 -5.262 3.634 -13.318 564 HG SER 75 HG SER 75 -3.755 2.676 -11.197 565 H GLU 76 H GLU 76 -3.927 3.484 -15.458 566 HA GLU 76 HA GLU 76 -3.098 5.789 -16.904 567 1HB GLU 76 1HB GLU 76 -5.276 3.707 -17.370 568 2HB GLU 76 2HB GLU 76 -4.836 4.972 -18.491 569 1HG GLU 76 1HG GLU 76 -3.476 3.463 -19.365 570 2HG GLU 76 2HG GLU 76 -2.357 3.973 -18.110 571 H VAL 77 H VAL 77 -3.651 7.700 -16.284 572 HA VAL 77 HA VAL 77 -6.581 8.394 -16.037 573 HB VAL 77 HB VAL 77 -4.163 9.717 -14.728 574 1HG1 VAL 77 1HG1 VAL 77 -5.896 11.400 -15.039 575 2HG1 VAL 77 2HG1 VAL 77 -7.146 10.290 -14.428 576 3HG1 VAL 77 3HG1 VAL 77 -5.883 10.917 -13.347 577 1HG2 VAL 77 1HG2 VAL 77 -6.360 7.961 -13.514 578 2HG2 VAL 77 2HG2 VAL 77 -4.667 7.487 -13.693 579 3HG2 VAL 77 3HG2 VAL 77 -5.087 8.803 -12.602 Start of MODEL 4 1 1H ASN 1 1HT ASN 1 -11.664 -15.831 -5.540 2 HA ASN 1 HA ASN 1 -9.899 -14.701 -6.325 3 1HB ASN 1 1HB ASN 1 -11.079 -14.803 -8.663 4 2HB ASN 1 2HB ASN 1 -11.465 -13.107 -8.361 5 1HD2 ASN 1 1HD2 ASN 1 -9.614 -11.528 -8.364 6 2HD2 ASN 1 2HD2 ASN 1 -8.068 -12.089 -8.972 7 H ASP 2 H ASP 2 -9.105 -12.366 -6.394 8 HA ASP 2 HA ASP 2 -10.487 -10.717 -4.405 9 1HB ASP 2 1HB ASP 2 -7.747 -9.974 -4.690 10 2HB ASP 2 2HB ASP 2 -8.530 -10.725 -3.334 11 H SER 3 H SER 3 -9.740 -8.370 -4.534 12 HA SER 3 HA SER 3 -9.798 -7.290 -7.320 13 1HB SER 3 1HB SER 3 -11.409 -6.257 -5.698 14 2HB SER 3 2HB SER 3 -10.058 -5.847 -4.646 15 HG SER 3 HG SER 3 -10.326 -4.066 -5.874 16 H THR 4 H THR 4 -8.219 -5.296 -7.329 17 HA THR 4 HA THR 4 -5.737 -5.616 -5.859 18 HB THR 4 HB THR 4 -5.836 -6.704 -8.679 19 HG1 THR 4 HG1 THR 4 -6.011 -7.785 -6.467 20 1HG2 THR 4 1HG2 THR 4 -3.354 -6.892 -8.555 21 2HG2 THR 4 2HG2 THR 4 -3.345 -5.863 -7.109 22 3HG2 THR 4 3HG2 THR 4 -3.865 -5.204 -8.681 23 H ALA 5 H ALA 5 -4.527 -3.921 -5.889 24 HA ALA 5 HA ALA 5 -4.824 -1.798 -7.898 25 1HB ALA 5 1HB ALA 5 -5.143 -0.083 -6.069 26 2HB ALA 5 2HB ALA 5 -6.524 -1.195 -6.242 27 3HB ALA 5 3HB ALA 5 -5.357 -1.419 -4.921 28 H THR 6 H THR 6 -3.161 -0.194 -7.732 29 HA THR 6 HA THR 6 -0.722 -1.007 -6.247 30 HB THR 6 HB THR 6 -0.766 0.320 -8.971 31 HG1 THR 6 HG1 THR 6 -0.058 -1.690 -9.682 32 1HG2 THR 6 1HG2 THR 6 1.666 -0.246 -8.942 33 2HG2 THR 6 2HG2 THR 6 1.487 -0.829 -7.266 34 3HG2 THR 6 3HG2 THR 6 1.224 0.881 -7.653 35 H PHE 7 H PHE 7 0.343 0.539 -5.258 36 HA PHE 7 HA PHE 7 -0.567 3.367 -5.421 37 1HB PHE 7 1HB PHE 7 0.047 2.018 -2.794 38 2HB PHE 7 2HB PHE 7 -0.710 3.567 -3.087 39 HD1 PHE 7 HD1 PHE 7 -1.435 -0.170 -3.258 40 HD2 PHE 7 HD2 PHE 7 -3.051 3.852 -3.479 41 HE1 PHE 7 HE1 PHE 7 -3.685 -1.064 -3.325 42 HE2 PHE 7 HE2 PHE 7 -5.336 2.899 -3.478 43 HZ PHE 7 HZ PHE 7 -5.661 0.451 -3.430 44 H ILE 8 H ILE 8 1.112 4.857 -5.216 45 HA ILE 8 HA ILE 8 3.825 3.796 -4.548 46 HB ILE 8 HB ILE 8 3.406 4.246 -7.010 47 1HG1 ILE 8 1HG1 ILE 8 5.520 6.148 -5.954 48 2HG1 ILE 8 2HG1 ILE 8 5.620 4.408 -5.669 49 1HG2 ILE 8 1HG2 ILE 8 3.307 6.555 -7.823 50 2HG2 ILE 8 2HG2 ILE 8 1.943 6.238 -6.746 51 3HG2 ILE 8 3HG2 ILE 8 3.334 7.175 -6.158 52 1HD1 ILE 8 1HD1 ILE 8 5.592 3.902 -8.014 53 2HD1 ILE 8 2HD1 ILE 8 5.356 5.621 -8.442 54 3HD1 ILE 8 3HD1 ILE 8 6.873 5.090 -7.689 55 H ILE 9 H ILE 9 5.129 4.894 -3.327 56 HA ILE 9 HA ILE 9 3.893 7.132 -1.891 57 HB ILE 9 HB ILE 9 6.097 5.288 -0.910 58 1HG1 ILE 9 1HG1 ILE 9 4.241 4.308 0.555 59 2HG1 ILE 9 2HG1 ILE 9 3.084 4.928 -0.497 60 1HG2 ILE 9 1HG2 ILE 9 5.408 6.113 1.310 61 2HG2 ILE 9 2HG2 ILE 9 5.852 7.465 0.284 62 3HG2 ILE 9 3HG2 ILE 9 4.147 7.120 0.571 63 1HD1 ILE 9 1HD1 ILE 9 5.348 2.954 -1.039 64 2HD1 ILE 9 2HD1 ILE 9 3.677 2.510 -0.627 65 3HD1 ILE 9 3HD1 ILE 9 4.003 3.278 -2.190 66 H ASP 10 H ASP 10 5.079 8.883 -1.406 67 HA ASP 10 HA ASP 10 7.941 9.012 -2.225 68 1HB ASP 10 1HB ASP 10 6.597 10.447 -3.787 69 2HB ASP 10 2HB ASP 10 6.102 11.413 -2.396 70 H GLY 11 H GLY 11 9.273 9.858 -0.637 71 1HA GLY 11 1HA GLY 11 9.582 11.218 1.525 72 2HA GLY 11 2HA GLY 11 8.067 10.500 2.027 73 H MET 12 H MET 12 8.804 8.011 0.787 74 HA MET 12 HA MET 12 9.385 6.664 3.130 75 1HB MET 12 1HB MET 12 8.495 4.883 1.846 76 2HB MET 12 2HB MET 12 7.801 6.271 1.233 77 1HG MET 12 1HG MET 12 10.203 4.955 -0.123 78 2HG MET 12 2HG MET 12 8.536 4.576 -0.388 79 1HE MET 12 1HE MET 12 11.487 6.675 -1.598 80 2HE MET 12 2HE MET 12 10.787 8.240 -2.084 81 3HE MET 12 3HE MET 12 11.036 7.871 -0.375 82 H HIS 13 H HIS 13 11.104 6.075 4.066 83 HA HIS 13 HA HIS 13 13.730 6.015 3.134 84 1HB HIS 13 1HB HIS 13 12.983 4.611 5.670 85 2HB HIS 13 2HB HIS 13 14.294 5.735 5.352 86 HD1 HIS 13 HD1 HIS 13 13.491 8.436 5.543 87 HD2 HIS 13 HD2 HIS 13 10.512 5.529 6.028 88 HE1 HIS 13 HE1 HIS 13 11.409 9.648 6.359 89 H CYS 14 H CYS 14 12.763 4.202 1.330 90 HA CYS 14 HA CYS 14 13.790 2.430 0.180 91 1HB CYS 14 1HB CYS 14 15.804 3.604 1.256 92 2HB CYS 14 2HB CYS 14 15.788 2.325 2.466 93 HG CYS 14 HG CYS 14 16.585 2.389 -0.713 94 H LYS 15 H LYS 15 15.240 0.106 1.684 95 HA LYS 15 HA LYS 15 13.083 -1.724 1.695 96 1HB LYS 15 1HB LYS 15 15.810 -1.949 1.962 97 2HB LYS 15 2HB LYS 15 15.306 -2.310 3.589 98 1HG LYS 15 1HG LYS 15 15.037 -3.913 1.086 99 2HG LYS 15 2HG LYS 15 15.531 -4.365 2.674 100 1HD LYS 15 1HD LYS 15 13.675 -5.578 2.593 101 2HD LYS 15 2HD LYS 15 12.944 -4.141 3.263 102 1HE LYS 15 1HE LYS 15 12.045 -3.534 1.036 103 2HE LYS 15 2HE LYS 15 12.975 -4.793 0.254 104 1HZ LYS 15 1HZ LYS 15 10.539 -5.377 0.746 105 2HZ LYS 15 2HZ LYS 15 10.884 -5.404 2.287 106 3HZ LYS 15 3HZ LYS 15 11.615 -6.476 1.297 107 H SER 16 H SER 16 14.177 0.392 4.340 108 HA SER 16 HA SER 16 12.634 -0.861 6.408 109 1HB SER 16 1HB SER 16 13.392 2.081 6.274 110 2HB SER 16 2HB SER 16 13.081 1.084 7.704 111 HG SER 16 HG SER 16 15.322 1.294 7.379 112 H CYS 17 H CYS 17 11.787 2.075 4.332 113 HA CYS 17 HA CYS 17 9.123 2.297 5.455 114 1HB CYS 17 1HB CYS 17 8.618 3.603 3.440 115 2HB CYS 17 2HB CYS 17 10.154 4.098 4.146 116 HG CYS 17 HG CYS 17 10.268 4.268 1.530 117 H VAL 18 H VAL 18 10.220 0.696 2.476 118 HA VAL 18 HA VAL 18 7.985 -0.511 1.566 119 HB VAL 18 HB VAL 18 10.882 -1.307 1.712 120 1HG1 VAL 18 1HG1 VAL 18 10.005 -3.401 1.537 121 2HG1 VAL 18 2HG1 VAL 18 8.702 -2.943 0.494 122 3HG1 VAL 18 3HG1 VAL 18 10.364 -2.961 -0.154 123 1HG2 VAL 18 1HG2 VAL 18 10.097 0.710 0.401 124 2HG2 VAL 18 2HG2 VAL 18 10.971 -0.503 -0.495 125 3HG2 VAL 18 3HG2 VAL 18 9.214 -0.381 -0.655 126 H SER 19 H SER 19 10.182 -2.094 4.064 127 HA SER 19 HA SER 19 8.313 -4.260 4.291 128 1HB SER 19 1HB SER 19 10.790 -3.473 5.791 129 2HB SER 19 2HB SER 19 9.807 -4.904 6.230 130 HG SER 19 HG SER 19 9.896 -5.394 3.857 131 H ASN 20 H ASN 20 8.371 -1.216 6.085 132 HA ASN 20 HA ASN 20 6.385 -2.081 8.035 133 1HB ASN 20 1HB ASN 20 6.622 0.594 6.640 134 2HB ASN 20 2HB ASN 20 5.514 0.253 7.918 135 1HD2 ASN 20 1HD2 ASN 20 8.939 0.625 7.165 136 2HD2 ASN 20 2HD2 ASN 20 9.249 1.270 8.764 137 H ILE 21 H ILE 21 6.153 -0.834 4.663 138 HA ILE 21 HA ILE 21 3.250 -0.883 4.681 139 HB ILE 21 HB ILE 21 4.545 -1.001 2.012 140 1HG1 ILE 21 1HG1 ILE 21 5.477 1.138 3.980 141 2HG1 ILE 21 2HG1 ILE 21 6.310 0.102 2.820 142 1HG2 ILE 21 1HG2 ILE 21 2.583 0.921 3.303 143 2HG2 ILE 21 2HG2 ILE 21 2.980 0.830 1.566 144 3HG2 ILE 21 3HG2 ILE 21 2.184 -0.521 2.342 145 1HD1 ILE 21 1HD1 ILE 21 5.442 1.275 0.900 146 2HD1 ILE 21 2HD1 ILE 21 4.616 2.429 1.972 147 3HD1 ILE 21 3HD1 ILE 21 6.387 2.323 1.969 148 H GLU 22 H GLU 22 5.640 -3.206 3.432 149 HA GLU 22 HA GLU 22 3.915 -5.172 2.355 150 1HB GLU 22 1HB GLU 22 6.530 -5.445 3.897 151 2HB GLU 22 2HB GLU 22 5.769 -6.737 2.994 152 1HG GLU 22 1HG GLU 22 6.164 -5.593 0.849 153 2HG GLU 22 2HG GLU 22 6.651 -4.177 1.661 154 H SER 23 H SER 23 5.031 -4.630 5.749 155 HA SER 23 HA SER 23 3.440 -6.787 6.846 156 1HB SER 23 1HB SER 23 5.564 -5.951 7.823 157 2HB SER 23 2HB SER 23 4.811 -4.384 8.142 158 HG SER 23 HG SER 23 4.765 -5.697 10.001 159 H THR 24 H THR 24 3.071 -3.292 7.410 160 HA THR 24 HA THR 24 0.713 -3.369 8.890 161 HB THR 24 HB THR 24 1.850 -1.129 7.120 162 HG1 THR 24 HG1 THR 24 2.014 -1.483 9.906 163 1HG2 THR 24 1HG2 THR 24 -0.443 -0.533 7.697 164 2HG2 THR 24 2HG2 THR 24 0.649 0.383 8.732 165 3HG2 THR 24 3HG2 THR 24 -0.202 -1.036 9.384 166 H LEU 25 H LEU 25 1.007 -3.197 5.314 167 HA LEU 25 HA LEU 25 -1.923 -3.028 5.064 168 1HB LEU 25 1HB LEU 25 0.185 -3.832 3.071 169 2HB LEU 25 2HB LEU 25 -1.540 -3.670 2.743 170 HG LEU 25 HG LEU 25 0.489 -1.497 3.318 171 1HD1 LEU 25 1HD1 LEU 25 0.020 -2.193 0.994 172 2HD1 LEU 25 2HD1 LEU 25 -0.648 -0.588 1.273 173 3HD1 LEU 25 3HD1 LEU 25 -1.733 -1.967 1.288 174 1HD2 LEU 25 1HD2 LEU 25 -2.501 -1.055 3.394 175 2HD2 LEU 25 2HD2 LEU 25 -1.249 0.190 3.471 176 3HD2 LEU 25 3HD2 LEU 25 -1.421 -0.919 4.818 177 H SER 26 H SER 26 0.461 -5.766 5.092 178 HA SER 26 HA SER 26 -1.526 -7.668 4.181 179 1HB SER 26 1HB SER 26 0.898 -7.960 3.839 180 2HB SER 26 2HB SER 26 1.139 -8.133 5.560 181 HG SER 26 HG SER 26 -0.459 -9.887 5.381 182 H ALA 27 H ALA 27 -1.965 -6.058 6.797 183 HA ALA 27 HA ALA 27 -2.878 -8.315 8.539 184 1HB ALA 27 1HB ALA 27 -1.047 -6.961 9.543 185 2HB ALA 27 2HB ALA 27 -2.001 -5.484 9.300 186 3HB ALA 27 3HB ALA 27 -2.574 -6.737 10.424 187 H LEU 28 H LEU 28 -4.046 -6.165 6.261 188 HA LEU 28 HA LEU 28 -6.154 -4.960 7.830 189 1HB LEU 28 1HB LEU 28 -5.641 -5.112 4.837 190 2HB LEU 28 2HB LEU 28 -6.948 -4.188 5.574 191 HG LEU 28 HG LEU 28 -4.057 -3.692 6.375 192 1HD1 LEU 28 1HD1 LEU 28 -3.895 -1.965 4.757 193 2HD1 LEU 28 2HD1 LEU 28 -5.549 -2.172 4.198 194 3HD1 LEU 28 3HD1 LEU 28 -4.325 -3.427 3.864 195 1HD2 LEU 28 1HD2 LEU 28 -5.815 -2.748 7.831 196 2HD2 LEU 28 2HD2 LEU 28 -6.574 -1.981 6.416 197 3HD2 LEU 28 3HD2 LEU 28 -4.944 -1.480 6.954 198 H GLN 29 H GLN 29 -8.238 -5.497 8.049 199 HA GLN 29 HA GLN 29 -9.114 -8.184 7.546 200 1HB GLN 29 1HB GLN 29 -9.663 -6.827 9.574 201 2HB GLN 29 2HB GLN 29 -10.698 -5.802 8.585 202 1HG GLN 29 1HG GLN 29 -11.491 -8.528 8.066 203 2HG GLN 29 2HG GLN 29 -11.238 -8.407 9.802 204 1HE2 GLN 29 1HE2 GLN 29 -12.779 -6.446 7.153 205 2HE2 GLN 29 2HE2 GLN 29 -14.213 -6.094 8.141 206 H TYR 30 H TYR 30 -8.682 -7.978 5.293 207 HA TYR 30 HA TYR 30 -10.702 -8.466 3.600 208 1HB TYR 30 1HB TYR 30 -10.803 -6.463 2.064 209 2HB TYR 30 2HB TYR 30 -11.756 -6.439 3.520 210 HD1 TYR 30 HD1 TYR 30 -8.088 -5.392 3.068 211 HD2 TYR 30 HD2 TYR 30 -12.137 -4.211 3.980 212 HE1 TYR 30 HE1 TYR 30 -7.326 -3.144 3.506 213 HE2 TYR 30 HE2 TYR 30 -11.351 -1.894 4.401 214 HH TYR 30 HH TYR 30 -7.898 -0.979 4.094 215 H VAL 31 H VAL 31 -7.328 -7.630 4.043 216 HA VAL 31 HA VAL 31 -6.908 -7.753 1.143 217 HB VAL 31 HB VAL 31 -5.689 -6.034 2.422 218 1HG1 VAL 31 1HG1 VAL 31 -5.013 -7.233 4.322 219 2HG1 VAL 31 2HG1 VAL 31 -3.996 -8.331 3.315 220 3HG1 VAL 31 3HG1 VAL 31 -3.654 -6.584 3.366 221 1HG2 VAL 31 1HG2 VAL 31 -3.579 -6.276 1.158 222 2HG2 VAL 31 2HG2 VAL 31 -3.882 -7.983 0.878 223 3HG2 VAL 31 3HG2 VAL 31 -4.929 -6.749 0.127 224 H SER 32 H SER 32 -5.989 -9.351 0.019 225 HA SER 32 HA SER 32 -5.927 -12.016 1.300 226 1HB SER 32 1HB SER 32 -6.097 -11.135 -1.618 227 2HB SER 32 2HB SER 32 -6.352 -12.774 -0.980 228 HG SER 32 HG SER 32 -8.331 -11.821 -1.249 229 H SER 33 H SER 33 -3.755 -9.720 -0.168 230 HA SER 33 HA SER 33 -1.323 -11.165 0.123 231 1HB SER 33 1HB SER 33 -2.746 -11.364 -2.491 232 2HB SER 33 2HB SER 33 -1.023 -11.313 -2.514 233 HG SER 33 HG SER 33 -2.539 -13.100 -0.898 234 H ILE 34 H ILE 34 0.419 -10.141 -1.120 235 HA ILE 34 HA ILE 34 0.306 -7.480 -2.142 236 HB ILE 34 HB ILE 34 -0.306 -6.926 0.196 237 1HG1 ILE 34 1HG1 ILE 34 2.491 -5.895 -0.428 238 2HG1 ILE 34 2HG1 ILE 34 1.029 -5.361 -1.269 239 1HG2 ILE 34 1HG2 ILE 34 0.918 -8.754 1.383 240 2HG2 ILE 34 2HG2 ILE 34 2.461 -7.959 0.984 241 3HG2 ILE 34 3HG2 ILE 34 1.296 -7.159 2.030 242 1HD1 ILE 34 1HD1 ILE 34 0.098 -4.598 0.898 243 2HD1 ILE 34 2HD1 ILE 34 1.631 -5.028 1.694 244 3HD1 ILE 34 3HD1 ILE 34 1.616 -3.778 0.449 245 H VAL 35 H VAL 35 2.187 -6.718 -2.883 246 HA VAL 35 HA VAL 35 4.816 -7.807 -2.046 247 HB VAL 35 HB VAL 35 3.785 -7.615 -4.926 248 1HG1 VAL 35 1HG1 VAL 35 5.934 -6.466 -5.014 249 2HG1 VAL 35 2HG1 VAL 35 6.706 -7.746 -4.045 250 3HG1 VAL 35 3HG1 VAL 35 6.132 -8.075 -5.694 251 1HG2 VAL 35 1HG2 VAL 35 5.271 -9.764 -3.344 252 2HG2 VAL 35 2HG2 VAL 35 3.557 -9.834 -3.834 253 3HG2 VAL 35 3HG2 VAL 35 4.825 -9.919 -5.063 254 H VAL 36 H VAL 36 6.370 -6.209 -2.050 255 HA VAL 36 HA VAL 36 5.488 -3.528 -3.074 256 HB VAL 36 HB VAL 36 7.197 -4.062 -0.669 257 1HG1 VAL 36 1HG1 VAL 36 8.344 -2.288 -1.829 258 2HG1 VAL 36 2HG1 VAL 36 6.812 -1.449 -2.181 259 3HG1 VAL 36 3HG1 VAL 36 7.378 -1.569 -0.525 260 1HG2 VAL 36 1HG2 VAL 36 5.620 -2.507 0.428 261 2HG2 VAL 36 2HG2 VAL 36 4.755 -2.325 -1.113 262 3HG2 VAL 36 3HG2 VAL 36 4.729 -3.894 -0.268 263 H SER 37 H SER 37 6.543 -2.654 -4.505 264 HA SER 37 HA SER 37 9.040 -3.736 -5.692 265 1HB SER 37 1HB SER 37 7.214 -1.423 -6.458 266 2HB SER 37 2HB SER 37 8.690 -1.903 -7.326 267 HG SER 37 HG SER 37 6.603 -2.802 -8.085 268 H LEU 38 H LEU 38 10.486 -3.330 -3.972 269 HA LEU 38 HA LEU 38 10.872 -1.094 -2.413 270 1HB LEU 38 1HB LEU 38 12.005 -3.025 -1.906 271 2HB LEU 38 2HB LEU 38 12.746 -3.188 -3.478 272 HG LEU 38 HG LEU 38 14.352 -1.460 -3.070 273 1HD1 LEU 38 1HD1 LEU 38 13.052 -0.914 -0.370 274 2HD1 LEU 38 2HD1 LEU 38 13.012 0.222 -1.722 275 3HD1 LEU 38 3HD1 LEU 38 14.549 -0.197 -0.988 276 1HD2 LEU 38 1HD2 LEU 38 13.891 -3.078 -0.561 277 2HD2 LEU 38 2HD2 LEU 38 15.462 -2.416 -1.067 278 3HD2 LEU 38 3HD2 LEU 38 14.692 -3.706 -2.027 279 H GLU 39 H GLU 39 12.574 -1.759 -5.447 280 HA GLU 39 HA GLU 39 13.966 0.591 -5.788 281 1HB GLU 39 1HB GLU 39 14.103 -1.527 -7.143 282 2HB GLU 39 2HB GLU 39 12.577 -1.106 -7.910 283 1HG GLU 39 1HG GLU 39 13.771 1.075 -8.647 284 2HG GLU 39 2HG GLU 39 15.273 0.263 -8.172 285 H ASN 40 H ASN 40 10.724 -0.159 -7.122 286 HA ASN 40 HA ASN 40 10.403 2.573 -8.033 287 1HB ASN 40 1HB ASN 40 8.914 0.009 -8.519 288 2HB ASN 40 2HB ASN 40 8.214 1.570 -8.981 289 1HD2 ASN 40 1HD2 ASN 40 11.098 -0.537 -9.500 290 2HD2 ASN 40 2HD2 ASN 40 11.800 0.471 -10.704 291 H ARG 41 H ARG 41 10.197 1.737 -5.000 292 HA ARG 41 HA ARG 41 9.086 2.390 -3.151 293 1HB ARG 41 1HB ARG 41 8.247 4.824 -4.764 294 2HB ARG 41 2HB ARG 41 8.503 4.670 -3.049 295 1HG ARG 41 1HG ARG 41 10.475 5.588 -3.390 296 2HG ARG 41 2HG ARG 41 11.011 3.983 -3.865 297 1HD ARG 41 1HD ARG 41 10.836 4.538 -6.180 298 2HD ARG 41 2HD ARG 41 9.778 5.914 -5.866 299 HE ARG 41 HE ARG 41 11.517 7.271 -5.333 300 1HH1 ARG 41 1HH1 ARG 41 12.882 3.986 -5.674 301 2HH1 ARG 41 2HH1 ARG 41 14.498 4.555 -5.474 302 1HH2 ARG 41 1HH2 ARG 41 13.652 7.918 -5.198 303 2HH2 ARG 41 2HH2 ARG 41 14.928 6.731 -5.178 304 H SER 42 H SER 42 7.363 0.678 -4.823 305 HA SER 42 HA SER 42 4.691 1.826 -4.079 306 1HB SER 42 1HB SER 42 3.974 0.676 -6.360 307 2HB SER 42 2HB SER 42 4.607 2.311 -6.305 308 HG SER 42 HG SER 42 6.528 1.652 -7.090 309 H ALA 43 H ALA 43 2.942 0.449 -3.889 310 HA ALA 43 HA ALA 43 3.614 -2.367 -3.110 311 1HB ALA 43 1HB ALA 43 1.421 -0.538 -2.006 312 2HB ALA 43 2HB ALA 43 1.866 -2.161 -1.434 313 3HB ALA 43 3HB ALA 43 2.988 -0.807 -1.208 314 H ILE 44 H ILE 44 2.652 -3.852 -4.211 315 HA ILE 44 HA ILE 44 0.261 -3.296 -5.933 316 HB ILE 44 HB ILE 44 2.340 -5.518 -6.110 317 1HG1 ILE 44 1HG1 ILE 44 1.738 -3.270 -8.097 318 2HG1 ILE 44 2HG1 ILE 44 3.047 -3.171 -6.924 319 1HG2 ILE 44 1HG2 ILE 44 0.041 -6.277 -6.690 320 2HG2 ILE 44 2HG2 ILE 44 -0.128 -4.923 -7.825 321 3HG2 ILE 44 3HG2 ILE 44 1.055 -6.217 -8.127 322 1HD1 ILE 44 1HD1 ILE 44 4.069 -5.229 -7.897 323 2HD1 ILE 44 2HD1 ILE 44 2.814 -5.222 -9.161 324 3HD1 ILE 44 3HD1 ILE 44 3.956 -3.875 -9.038 325 H VAL 45 H VAL 45 -1.480 -3.780 -4.772 326 HA VAL 45 HA VAL 45 -1.244 -5.679 -2.461 327 HB VAL 45 HB VAL 45 -3.025 -3.226 -2.658 328 1HG1 VAL 45 1HG1 VAL 45 -3.761 -4.910 -1.026 329 2HG1 VAL 45 2HG1 VAL 45 -2.125 -5.002 -0.335 330 3HG1 VAL 45 3HG1 VAL 45 -3.093 -3.530 -0.148 331 1HG2 VAL 45 1HG2 VAL 45 -1.492 -2.036 -1.160 332 2HG2 VAL 45 2HG2 VAL 45 -0.318 -3.365 -1.286 333 3HG2 VAL 45 3HG2 VAL 45 -0.726 -2.378 -2.702 334 H VAL 46 H VAL 46 -2.784 -7.212 -2.311 335 HA VAL 46 HA VAL 46 -4.859 -7.329 -4.482 336 HB VAL 46 HB VAL 46 -3.135 -9.473 -3.202 337 1HG1 VAL 46 1HG1 VAL 46 -5.057 -9.811 -5.529 338 2HG1 VAL 46 2HG1 VAL 46 -3.995 -11.056 -4.789 339 3HG1 VAL 46 3HG1 VAL 46 -5.329 -10.372 -3.856 340 1HG2 VAL 46 1HG2 VAL 46 -2.056 -9.758 -5.405 341 2HG2 VAL 46 2HG2 VAL 46 -2.915 -8.324 -5.999 342 3HG2 VAL 46 3HG2 VAL 46 -1.732 -8.183 -4.686 343 H TYR 47 H TYR 47 -6.822 -7.099 -3.518 344 HA TYR 47 HA TYR 47 -7.198 -8.037 -0.705 345 1HB TYR 47 1HB TYR 47 -8.166 -5.959 -0.086 346 2HB TYR 47 2HB TYR 47 -6.606 -5.623 -0.797 347 HD1 TYR 47 HD1 TYR 47 -10.031 -4.740 -0.769 348 HD2 TYR 47 HD2 TYR 47 -6.627 -4.952 -3.400 349 HE1 TYR 47 HE1 TYR 47 -11.153 -3.193 -2.357 350 HE2 TYR 47 HE2 TYR 47 -7.747 -3.390 -4.978 351 HH TYR 47 HH TYR 47 -11.032 -2.089 -4.341 352 H ASN 48 H ASN 48 -9.232 -8.752 -0.111 353 HA ASN 48 HA ASN 48 -10.834 -9.586 -2.408 354 1HB ASN 48 1HB ASN 48 -10.105 -10.816 0.063 355 2HB ASN 48 2HB ASN 48 -11.859 -10.755 0.020 356 1HD2 ASN 48 1HD2 ASN 48 -12.979 -11.690 -1.897 357 2HD2 ASN 48 2HD2 ASN 48 -12.077 -12.743 -2.981 358 H ALA 49 H ALA 49 -11.771 -7.556 -2.920 359 HA ALA 49 HA ALA 49 -14.404 -7.147 -1.695 360 1HB ALA 49 1HB ALA 49 -12.231 -5.050 -1.486 361 2HB ALA 49 2HB ALA 49 -13.943 -4.816 -1.033 362 3HB ALA 49 3HB ALA 49 -12.927 -5.938 -0.116 363 H SER 50 H SER 50 -15.500 -7.234 -3.673 364 HA SER 50 HA SER 50 -14.481 -5.904 -6.048 365 1HB SER 50 1HB SER 50 -17.242 -7.105 -5.659 366 2HB SER 50 2HB SER 50 -16.304 -6.944 -7.154 367 HG SER 50 HG SER 50 -16.154 -9.076 -6.450 368 H SER 51 H SER 51 -16.445 -4.832 -3.425 369 HA SER 51 HA SER 51 -17.840 -2.839 -5.130 370 1HB SER 51 1HB SER 51 -19.663 -3.021 -3.518 371 2HB SER 51 2HB SER 51 -19.218 -4.622 -4.128 372 HG SER 51 HG SER 51 -18.602 -3.432 -1.638 373 H VAL 52 H VAL 52 -15.186 -2.204 -4.011 374 HA VAL 52 HA VAL 52 -15.931 0.120 -2.331 375 HB VAL 52 HB VAL 52 -14.298 -0.232 -0.627 376 1HG1 VAL 52 1HG1 VAL 52 -15.919 -2.803 -0.823 377 2HG1 VAL 52 2HG1 VAL 52 -15.215 -2.090 0.638 378 3HG1 VAL 52 3HG1 VAL 52 -16.520 -1.244 -0.205 379 1HG2 VAL 52 1HG2 VAL 52 -13.557 -2.797 -2.077 380 2HG2 VAL 52 2HG2 VAL 52 -12.524 -1.388 -1.758 381 3HG2 VAL 52 3HG2 VAL 52 -13.040 -2.411 -0.417 382 H THR 53 H THR 53 -14.207 1.663 -2.031 383 HA THR 53 HA THR 53 -12.802 2.150 -4.504 384 HB THR 53 HB THR 53 -13.865 3.973 -3.422 385 HG1 THR 53 HG1 THR 53 -12.205 5.371 -3.530 386 1HG2 THR 53 1HG2 THR 53 -11.981 3.534 -1.067 387 2HG2 THR 53 2HG2 THR 53 -13.739 3.298 -1.058 388 3HG2 THR 53 3HG2 THR 53 -13.076 4.919 -1.289 389 HA PRO 54 HA PRO 54 -8.724 0.569 -3.236 390 1HB PRO 54 1HB PRO 54 -7.133 2.030 -4.912 391 2HB PRO 54 2HB PRO 54 -8.120 0.642 -5.460 392 1HG PRO 54 1HG PRO 54 -8.843 3.593 -5.579 393 2HG PRO 54 2HG PRO 54 -8.898 2.389 -6.912 394 1HD PRO 54 1HD PRO 54 -11.102 3.016 -5.512 395 2HD PRO 54 2HD PRO 54 -10.788 1.311 -5.949 396 H GLU 55 H GLU 55 -9.891 3.885 -2.971 397 HA GLU 55 HA GLU 55 -7.665 5.163 -1.821 398 1HB GLU 55 1HB GLU 55 -9.770 6.215 -2.623 399 2HB GLU 55 2HB GLU 55 -10.615 5.535 -1.243 400 1HG GLU 55 1HG GLU 55 -10.235 7.845 -0.843 401 2HG GLU 55 2HG GLU 55 -9.272 6.924 0.297 402 H SER 56 H SER 56 -9.616 2.544 -0.382 403 HA SER 56 HA SER 56 -9.164 3.241 2.370 404 1HB SER 56 1HB SER 56 -9.529 0.414 1.484 405 2HB SER 56 2HB SER 56 -10.297 1.300 2.794 406 HG SER 56 HG SER 56 -11.165 0.986 0.186 407 H LEU 57 H LEU 57 -7.458 1.161 -0.011 408 HA LEU 57 HA LEU 57 -5.533 0.158 1.973 409 1HB LEU 57 1HB LEU 57 -5.479 0.194 -1.055 410 2HB LEU 57 2HB LEU 57 -4.296 -0.614 -0.039 411 HG LEU 57 HG LEU 57 -7.250 -1.321 -0.330 412 1HD1 LEU 57 1HD1 LEU 57 -4.626 -2.302 -1.501 413 2HD1 LEU 57 2HD1 LEU 57 -6.165 -2.018 -2.318 414 3HD1 LEU 57 3HD1 LEU 57 -5.934 -3.467 -1.295 415 1HD2 LEU 57 1HD2 LEU 57 -5.064 -2.872 1.200 416 2HD2 LEU 57 2HD2 LEU 57 -6.729 -3.412 0.939 417 3HD2 LEU 57 3HD2 LEU 57 -6.409 -1.971 1.930 418 H ARG 58 H ARG 58 -5.597 2.745 -0.526 419 HA ARG 58 HA ARG 58 -3.029 3.815 -0.206 420 1HB ARG 58 1HB ARG 58 -4.788 4.480 -1.876 421 2HB ARG 58 2HB ARG 58 -5.702 5.209 -0.612 422 1HG ARG 58 1HG ARG 58 -3.283 6.433 -0.213 423 2HG ARG 58 2HG ARG 58 -3.234 6.179 -1.967 424 1HD ARG 58 1HD ARG 58 -5.277 7.384 -2.272 425 2HD ARG 58 2HD ARG 58 -5.593 7.411 -0.522 426 HE ARG 58 HE ARG 58 -3.263 8.762 -0.590 427 1HH1 ARG 58 1HH1 ARG 58 -6.362 9.219 -2.201 428 2HH1 ARG 58 2HH1 ARG 58 -6.069 10.918 -2.474 429 1HH2 ARG 58 1HH2 ARG 58 -3.044 10.804 -0.648 430 2HH2 ARG 58 2HH2 ARG 58 -4.140 11.885 -1.528 431 H LYS 59 H LYS 59 -6.054 4.703 1.645 432 HA LYS 59 HA LYS 59 -4.711 6.275 3.594 433 1HB LYS 59 1HB LYS 59 -7.403 5.054 3.192 434 2HB LYS 59 2HB LYS 59 -6.940 5.190 4.871 435 1HG LYS 59 1HG LYS 59 -8.131 7.184 4.064 436 2HG LYS 59 2HG LYS 59 -6.507 7.533 4.693 437 1HD LYS 59 1HD LYS 59 -5.680 7.623 2.292 438 2HD LYS 59 2HD LYS 59 -7.356 7.432 1.777 439 1HE LYS 59 1HE LYS 59 -7.960 9.545 2.818 440 2HE LYS 59 2HE LYS 59 -6.403 9.618 3.681 441 1HZ LYS 59 1HZ LYS 59 -6.730 9.719 0.754 442 2HZ LYS 59 2HZ LYS 59 -5.290 9.785 1.556 443 3HZ LYS 59 3HZ LYS 59 -6.358 11.029 1.715 444 H ALA 60 H ALA 60 -5.104 2.687 3.624 445 HA ALA 60 HA ALA 60 -3.954 2.490 6.281 446 1HB ALA 60 1HB ALA 60 -5.184 0.654 5.229 447 2HB ALA 60 2HB ALA 60 -3.952 0.524 3.958 448 3HB ALA 60 3HB ALA 60 -3.527 0.167 5.647 449 H ILE 61 H ILE 61 -2.454 2.839 3.049 450 HA ILE 61 HA ILE 61 0.254 2.640 4.049 451 HB ILE 61 HB ILE 61 -0.683 4.049 1.505 452 1HG1 ILE 61 1HG1 ILE 61 0.226 1.210 1.974 453 2HG1 ILE 61 2HG1 ILE 61 -1.395 1.700 1.545 454 1HG2 ILE 61 1HG2 ILE 61 1.677 3.589 0.765 455 2HG2 ILE 61 2HG2 ILE 61 1.579 4.693 2.095 456 3HG2 ILE 61 3HG2 ILE 61 2.043 3.013 2.406 457 1HD1 ILE 61 1HD1 ILE 61 1.018 1.771 -0.264 458 2HD1 ILE 61 2HD1 ILE 61 -0.512 0.913 -0.473 459 3HD1 ILE 61 3HD1 ILE 61 -0.479 2.680 -0.601 460 H GLU 62 H GLU 62 -1.698 5.601 3.182 461 HA GLU 62 HA GLU 62 0.202 7.441 4.180 462 1HB GLU 62 1HB GLU 62 -2.825 7.710 3.931 463 2HB GLU 62 2HB GLU 62 -1.673 9.012 4.304 464 1HG GLU 62 1HG GLU 62 -0.506 8.695 2.225 465 2HG GLU 62 2HG GLU 62 -1.594 7.352 1.796 466 H ALA 63 H ALA 63 -1.846 5.282 6.004 467 HA ALA 63 HA ALA 63 -1.433 6.790 8.488 468 1HB ALA 63 1HB ALA 63 -3.628 5.705 8.015 469 2HB ALA 63 2HB ALA 63 -2.811 4.120 7.959 470 3HB ALA 63 3HB ALA 63 -2.869 5.043 9.475 471 H VAL 64 H VAL 64 0.598 4.868 6.826 472 HA VAL 64 HA VAL 64 1.734 3.588 9.262 473 HB VAL 64 HB VAL 64 1.596 2.431 6.856 474 1HG1 VAL 64 1HG1 VAL 64 3.494 2.346 5.600 475 2HG1 VAL 64 2HG1 VAL 64 2.976 4.049 5.727 476 3HG1 VAL 64 3HG1 VAL 64 4.386 3.479 6.642 477 1HG2 VAL 64 1HG2 VAL 64 4.119 2.271 8.611 478 2HG2 VAL 64 2HG2 VAL 64 2.581 1.536 9.103 479 3HG2 VAL 64 3HG2 VAL 64 3.406 0.946 7.645 480 H SER 65 H SER 65 2.487 6.183 6.907 481 HA SER 65 HA SER 65 4.159 7.298 9.059 482 1HB SER 65 1HB SER 65 5.426 7.507 6.413 483 2HB SER 65 2HB SER 65 6.058 7.489 8.060 484 HG SER 65 HG SER 65 5.330 5.186 8.010 485 HA PRO 66 HA PRO 66 1.018 9.982 6.932 486 1HB PRO 66 1HB PRO 66 0.048 11.117 9.371 487 2HB PRO 66 2HB PRO 66 -0.699 9.826 8.395 488 1HG PRO 66 1HG PRO 66 1.120 9.582 10.789 489 2HG PRO 66 2HG PRO 66 -0.309 8.583 10.360 490 1HD PRO 66 1HD PRO 66 2.143 7.599 9.902 491 2HD PRO 66 2HD PRO 66 0.926 7.437 8.654 492 H GLY 67 H GLY 67 1.129 12.013 6.305 493 1HA GLY 67 1HA GLY 67 1.791 14.249 6.153 494 2HA GLY 67 2HA GLY 67 2.642 14.098 7.713 495 H LEU 68 H LEU 68 4.099 11.669 6.694 496 HA LEU 68 HA LEU 68 6.256 12.993 5.124 497 1HB LEU 68 1HB LEU 68 7.465 12.127 6.672 498 2HB LEU 68 2HB LEU 68 6.109 11.284 7.365 499 HG LEU 68 HG LEU 68 6.566 9.373 5.743 500 1HD1 LEU 68 1HD1 LEU 68 8.811 9.115 4.884 501 2HD1 LEU 68 2HD1 LEU 68 9.257 10.757 5.411 502 3HD1 LEU 68 3HD1 LEU 68 8.059 10.539 4.130 503 1HD2 LEU 68 1HD2 LEU 68 8.288 8.561 7.257 504 2HD2 LEU 68 2HD2 LEU 68 7.150 9.562 8.171 505 3HD2 LEU 68 3HD2 LEU 68 8.714 10.250 7.682 506 H TYR 69 H TYR 69 4.107 10.138 5.122 507 HA TYR 69 HA TYR 69 4.808 9.299 2.440 508 1HB TYR 69 1HB TYR 69 2.632 8.493 4.405 509 2HB TYR 69 2HB TYR 69 2.600 8.002 2.738 510 HD1 TYR 69 HD1 TYR 69 2.541 5.725 3.548 511 HD2 TYR 69 HD2 TYR 69 6.044 8.179 4.011 512 HE1 TYR 69 HE1 TYR 69 3.871 3.733 3.678 513 HE2 TYR 69 HE2 TYR 69 7.350 6.166 4.546 514 HH TYR 69 HH TYR 69 5.900 2.880 4.360 515 H ARG 70 H ARG 70 4.472 10.577 0.831 516 HA ARG 70 HA ARG 70 1.808 11.697 0.068 517 1HB ARG 70 1HB ARG 70 4.334 10.834 -1.410 518 2HB ARG 70 2HB ARG 70 2.893 11.315 -2.226 519 1HG ARG 70 1HG ARG 70 3.203 13.529 -0.732 520 2HG ARG 70 2HG ARG 70 4.865 12.940 -0.608 521 1HD ARG 70 1HD ARG 70 4.129 12.658 -3.359 522 2HD ARG 70 2HD ARG 70 3.414 14.175 -2.834 523 HE ARG 70 HE ARG 70 6.273 13.400 -3.096 524 1HH1 ARG 70 1HH1 ARG 70 4.259 15.991 -1.785 525 2HH1 ARG 70 2HH1 ARG 70 5.655 17.007 -1.519 526 1HH2 ARG 70 1HH2 ARG 70 7.867 14.533 -2.692 527 2HH2 ARG 70 2HH2 ARG 70 7.789 16.139 -1.983 528 H VAL 71 H VAL 71 0.132 10.096 -0.713 529 HA VAL 71 HA VAL 71 1.354 7.702 -2.044 530 HB VAL 71 HB VAL 71 -1.159 7.491 -0.406 531 1HG1 VAL 71 1HG1 VAL 71 -0.899 5.075 -0.799 532 2HG1 VAL 71 2HG1 VAL 71 -1.051 5.914 -2.343 533 3HG1 VAL 71 3HG1 VAL 71 0.541 5.368 -1.797 534 1HG2 VAL 71 1HG2 VAL 71 0.956 7.717 1.012 535 2HG2 VAL 71 2HG2 VAL 71 0.193 6.135 1.131 536 3HG2 VAL 71 3HG2 VAL 71 1.639 6.366 0.129 537 H SER 72 H SER 72 0.642 7.232 -4.013 538 HA SER 72 HA SER 72 -2.029 8.249 -4.864 539 1HB SER 72 1HB SER 72 -1.148 9.048 -7.045 540 2HB SER 72 2HB SER 72 -0.651 10.004 -5.649 541 HG SER 72 HG SER 72 1.355 8.756 -5.712 542 H ILE 73 H ILE 73 -3.022 7.203 -6.629 543 HA ILE 73 HA ILE 73 -2.259 4.340 -6.918 544 HB ILE 73 HB ILE 73 -4.698 5.880 -7.896 545 1HG1 ILE 73 1HG1 ILE 73 -4.544 3.932 -5.565 546 2HG1 ILE 73 2HG1 ILE 73 -4.422 5.672 -5.332 547 1HG2 ILE 73 1HG2 ILE 73 -4.192 3.792 -9.223 548 2HG2 ILE 73 2HG2 ILE 73 -4.242 2.857 -7.719 549 3HG2 ILE 73 3HG2 ILE 73 -5.693 3.669 -8.326 550 1HD1 ILE 73 1HD1 ILE 73 -6.654 6.008 -6.302 551 2HD1 ILE 73 2HD1 ILE 73 -6.826 4.250 -6.508 552 3HD1 ILE 73 3HD1 ILE 73 -6.683 4.942 -4.882 553 H THR 74 H THR 74 -0.356 4.631 -8.003 554 HA THR 74 HA THR 74 -0.205 5.733 -10.650 555 HB THR 74 HB THR 74 1.854 5.328 -9.551 556 HG1 THR 74 HG1 THR 74 1.647 4.945 -11.859 557 1HG2 THR 74 1HG2 THR 74 1.221 2.349 -9.553 558 2HG2 THR 74 2HG2 THR 74 1.296 3.383 -8.106 559 3HG2 THR 74 3HG2 THR 74 2.751 3.098 -9.081 560 H SER 75 H SER 75 -1.268 5.200 -12.314 561 HA SER 75 HA SER 75 -2.023 2.437 -12.971 562 1HB SER 75 1HB SER 75 -4.343 3.564 -13.530 563 2HB SER 75 2HB SER 75 -3.995 2.969 -11.921 564 HG SER 75 HG SER 75 -3.473 5.162 -11.293 565 H GLU 76 H GLU 76 -2.221 2.164 -15.220 566 HA GLU 76 HA GLU 76 -0.800 4.106 -16.813 567 1HB GLU 76 1HB GLU 76 -0.591 1.627 -16.771 568 2HB GLU 76 2HB GLU 76 -2.112 1.488 -17.651 569 1HG GLU 76 1HG GLU 76 -1.108 2.713 -19.556 570 2HG GLU 76 2HG GLU 76 0.374 2.982 -18.625 571 H VAL 77 H VAL 77 -2.457 5.708 -16.256 572 HA VAL 77 HA VAL 77 -4.990 5.580 -17.817 573 HB VAL 77 HB VAL 77 -5.611 7.687 -16.739 574 1HG1 VAL 77 1HG1 VAL 77 -6.145 5.494 -15.729 575 2HG1 VAL 77 2HG1 VAL 77 -4.641 5.566 -14.783 576 3HG1 VAL 77 3HG1 VAL 77 -5.927 6.757 -14.506 577 1HG2 VAL 77 1HG2 VAL 77 -3.382 8.731 -16.361 578 2HG2 VAL 77 2HG2 VAL 77 -4.345 8.630 -14.884 579 3HG2 VAL 77 3HG2 VAL 77 -3.021 7.485 -15.139 Start of MODEL 5 1 1H ASN 1 1HT ASN 1 -10.849 -13.957 -7.226 2 HA ASN 1 HA ASN 1 -13.528 -13.156 -7.807 3 1HB ASN 1 1HB ASN 1 -14.669 -14.031 -5.779 4 2HB ASN 1 2HB ASN 1 -14.211 -15.313 -6.883 5 1HD2 ASN 1 1HD2 ASN 1 -12.874 -13.556 -4.020 6 2HD2 ASN 1 2HD2 ASN 1 -12.158 -15.021 -3.322 7 H ASP 2 H ASP 2 -10.805 -12.258 -7.189 8 HA ASP 2 HA ASP 2 -10.901 -10.718 -4.710 9 1HB ASP 2 1HB ASP 2 -8.393 -10.797 -5.043 10 2HB ASP 2 2HB ASP 2 -9.143 -12.339 -4.728 11 H SER 3 H SER 3 -9.472 -8.737 -4.817 12 HA SER 3 HA SER 3 -9.644 -7.276 -7.395 13 1HB SER 3 1HB SER 3 -11.451 -6.552 -5.823 14 2HB SER 3 2HB SER 3 -10.217 -6.091 -4.646 15 HG SER 3 HG SER 3 -11.071 -4.406 -6.044 16 H THR 4 H THR 4 -8.231 -5.264 -7.134 17 HA THR 4 HA THR 4 -6.001 -5.436 -5.348 18 HB THR 4 HB THR 4 -5.472 -7.036 -7.414 19 HG1 THR 4 HG1 THR 4 -4.172 -6.575 -5.662 20 1HG2 THR 4 1HG2 THR 4 -5.578 -5.115 -9.127 21 2HG2 THR 4 2HG2 THR 4 -4.064 -6.053 -9.068 22 3HG2 THR 4 3HG2 THR 4 -4.123 -4.457 -8.315 23 H ALA 5 H ALA 5 -4.439 -3.682 -5.741 24 HA ALA 5 HA ALA 5 -5.099 -1.516 -7.520 25 1HB ALA 5 1HB ALA 5 -5.370 0.195 -5.668 26 2HB ALA 5 2HB ALA 5 -6.730 -0.941 -5.838 27 3HB ALA 5 3HB ALA 5 -5.549 -1.164 -4.534 28 H THR 6 H THR 6 -3.531 0.198 -7.439 29 HA THR 6 HA THR 6 -0.870 -0.617 -6.363 30 HB THR 6 HB THR 6 -1.390 0.797 -8.981 31 HG1 THR 6 HG1 THR 6 -0.876 -1.202 -9.886 32 1HG2 THR 6 1HG2 THR 6 1.001 0.118 -9.408 33 2HG2 THR 6 2HG2 THR 6 1.093 -0.403 -7.703 34 3HG2 THR 6 3HG2 THR 6 0.799 1.304 -8.109 35 H PHE 7 H PHE 7 0.268 0.846 -5.430 36 HA PHE 7 HA PHE 7 -0.607 3.675 -5.358 37 1HB PHE 7 1HB PHE 7 0.100 2.151 -2.854 38 2HB PHE 7 2HB PHE 7 -0.594 3.770 -3.005 39 HD1 PHE 7 HD1 PHE 7 -1.434 0.075 -3.413 40 HD2 PHE 7 HD2 PHE 7 -2.974 4.128 -3.018 41 HE1 PHE 7 HE1 PHE 7 -3.673 -0.777 -3.341 42 HE2 PHE 7 HE2 PHE 7 -5.241 3.206 -2.923 43 HZ PHE 7 HZ PHE 7 -5.624 0.765 -3.093 44 H ILE 8 H ILE 8 0.975 5.172 -4.891 45 HA ILE 8 HA ILE 8 3.772 4.210 -4.639 46 HB ILE 8 HB ILE 8 3.023 4.630 -6.989 47 1HG1 ILE 8 1HG1 ILE 8 5.232 6.549 -6.111 48 2HG1 ILE 8 2HG1 ILE 8 5.380 4.807 -5.914 49 1HG2 ILE 8 1HG2 ILE 8 2.984 7.580 -6.254 50 2HG2 ILE 8 2HG2 ILE 8 2.808 6.880 -7.874 51 3HG2 ILE 8 3HG2 ILE 8 1.567 6.585 -6.650 52 1HD1 ILE 8 1HD1 ILE 8 5.111 4.382 -8.270 53 2HD1 ILE 8 2HD1 ILE 8 4.952 6.131 -8.603 54 3HD1 ILE 8 3HD1 ILE 8 6.477 5.469 -7.968 55 H ILE 9 H ILE 9 5.112 5.283 -3.405 56 HA ILE 9 HA ILE 9 3.954 7.451 -1.750 57 HB ILE 9 HB ILE 9 5.971 5.259 -1.070 58 1HG1 ILE 9 1HG1 ILE 9 4.358 4.276 0.411 59 2HG1 ILE 9 2HG1 ILE 9 3.076 5.330 -0.153 60 1HG2 ILE 9 1HG2 ILE 9 4.509 7.293 0.683 61 2HG2 ILE 9 2HG2 ILE 9 5.544 5.972 1.280 62 3HG2 ILE 9 3HG2 ILE 9 6.251 7.249 0.336 63 1HD1 ILE 9 1HD1 ILE 9 4.578 3.251 -1.798 64 2HD1 ILE 9 2HD1 ILE 9 3.123 2.917 -0.858 65 3HD1 ILE 9 3HD1 ILE 9 3.014 4.036 -2.217 66 H ASP 10 H ASP 10 5.041 9.414 -2.572 67 HA ASP 10 HA ASP 10 7.840 9.397 -3.112 68 1HB ASP 10 1HB ASP 10 6.001 11.106 -3.888 69 2HB ASP 10 2HB ASP 10 6.319 11.876 -2.346 70 H GLY 11 H GLY 11 6.731 8.899 -0.180 71 1HA GLY 11 1HA GLY 11 8.593 10.745 1.332 72 2HA GLY 11 2HA GLY 11 7.084 10.088 2.006 73 H MET 12 H MET 12 8.488 7.826 0.022 74 HA MET 12 HA MET 12 8.784 6.102 2.302 75 1HB MET 12 1HB MET 12 8.124 5.792 -0.379 76 2HB MET 12 2HB MET 12 9.706 5.077 -0.344 77 1HG MET 12 1HG MET 12 8.825 3.808 1.613 78 2HG MET 12 2HG MET 12 7.254 4.451 1.338 79 1HE MET 12 1HE MET 12 9.937 1.843 0.273 80 2HE MET 12 2HE MET 12 9.406 1.344 -1.342 81 3HE MET 12 3HE MET 12 10.089 2.949 -1.123 82 H HIS 13 H HIS 13 10.584 5.679 3.417 83 HA HIS 13 HA HIS 13 13.213 6.543 2.836 84 1HB HIS 13 1HB HIS 13 12.321 4.228 4.548 85 2HB HIS 13 2HB HIS 13 13.883 5.043 4.645 86 HD1 HIS 13 HD1 HIS 13 12.732 5.124 7.324 87 HD2 HIS 13 HD2 HIS 13 11.455 7.843 4.380 88 HE1 HIS 13 HE1 HIS 13 11.613 7.059 8.544 89 H CYS 14 H CYS 14 11.652 4.397 0.981 90 HA CYS 14 HA CYS 14 12.347 3.395 -0.943 91 1HB CYS 14 1HB CYS 14 15.049 4.390 -0.006 92 2HB CYS 14 2HB CYS 14 14.832 3.495 -1.501 93 HG CYS 14 HG CYS 14 13.234 6.246 -0.497 94 H LYS 15 H LYS 15 14.344 2.258 1.784 95 HA LYS 15 HA LYS 15 13.975 -0.533 0.663 96 1HB LYS 15 1HB LYS 15 16.404 0.828 1.729 97 2HB LYS 15 2HB LYS 15 16.115 -0.843 2.263 98 1HG LYS 15 1HG LYS 15 17.425 -1.020 0.292 99 2HG LYS 15 2HG LYS 15 15.803 -1.526 -0.133 100 1HD LYS 15 1HD LYS 15 15.866 1.251 -0.718 101 2HD LYS 15 2HD LYS 15 17.441 0.696 -1.143 102 1HE LYS 15 1HE LYS 15 16.710 -0.566 -2.944 103 2HE LYS 15 2HE LYS 15 15.192 -1.006 -2.164 104 1HZ LYS 15 1HZ LYS 15 14.270 1.076 -2.622 105 2HZ LYS 15 2HZ LYS 15 14.825 0.535 -4.018 106 3HZ LYS 15 3HZ LYS 15 15.684 1.709 -3.269 107 H SER 16 H SER 16 14.971 0.286 4.021 108 HA SER 16 HA SER 16 13.299 -1.511 5.209 109 1HB SER 16 1HB SER 16 13.903 1.160 6.503 110 2HB SER 16 2HB SER 16 13.688 -0.430 7.268 111 HG SER 16 HG SER 16 15.883 -0.156 7.115 112 H CYS 17 H CYS 17 12.078 1.695 4.156 113 HA CYS 17 HA CYS 17 9.542 1.626 5.500 114 1HB CYS 17 1HB CYS 17 10.489 3.022 2.932 115 2HB CYS 17 2HB CYS 17 8.842 2.779 3.246 116 HG CYS 17 HG CYS 17 8.379 4.113 5.224 117 H VAL 18 H VAL 18 10.550 -0.320 2.664 118 HA VAL 18 HA VAL 18 7.983 -1.169 1.907 119 HB VAL 18 HB VAL 18 10.794 -2.273 1.731 120 1HG1 VAL 18 1HG1 VAL 18 9.798 -3.805 -0.115 121 2HG1 VAL 18 2HG1 VAL 18 9.711 -4.292 1.587 122 3HG1 VAL 18 3HG1 VAL 18 8.287 -3.613 0.809 123 1HG2 VAL 18 1HG2 VAL 18 8.991 -0.518 0.096 124 2HG2 VAL 18 2HG2 VAL 18 10.717 -0.397 0.429 125 3HG2 VAL 18 3HG2 VAL 18 10.112 -1.557 -0.758 126 H SER 19 H SER 19 10.192 -2.466 4.407 127 HA SER 19 HA SER 19 8.716 -4.901 4.949 128 1HB SER 19 1HB SER 19 11.096 -4.137 5.703 129 2HB SER 19 2HB SER 19 10.283 -3.148 6.922 130 HG SER 19 HG SER 19 9.304 -5.167 7.680 131 H ASN 20 H ASN 20 8.459 -1.577 6.264 132 HA ASN 20 HA ASN 20 6.394 -2.148 8.186 133 1HB ASN 20 1HB ASN 20 6.913 0.380 6.633 134 2HB ASN 20 2HB ASN 20 6.027 0.291 8.093 135 1HD2 ASN 20 1HD2 ASN 20 8.460 1.784 7.357 136 2HD2 ASN 20 2HD2 ASN 20 9.655 1.347 8.568 137 H ILE 21 H ILE 21 6.318 -1.039 4.760 138 HA ILE 21 HA ILE 21 3.460 -0.592 4.773 139 HB ILE 21 HB ILE 21 5.001 -1.233 2.250 140 1HG1 ILE 21 1HG1 ILE 21 5.691 1.045 4.055 141 2HG1 ILE 21 2HG1 ILE 21 6.504 0.246 2.716 142 1HG2 ILE 21 1HG2 ILE 21 2.640 0.572 2.882 143 2HG2 ILE 21 2HG2 ILE 21 3.330 0.279 1.255 144 3HG2 ILE 21 3HG2 ILE 21 2.584 -1.037 2.131 145 1HD1 ILE 21 1HD1 ILE 21 5.330 1.434 1.007 146 2HD1 ILE 21 2HD1 ILE 21 4.401 2.330 2.228 147 3HD1 ILE 21 3HD1 ILE 21 6.160 2.526 2.109 148 H GLU 22 H GLU 22 5.447 -3.316 3.618 149 HA GLU 22 HA GLU 22 3.399 -5.109 2.848 150 1HB GLU 22 1HB GLU 22 6.185 -5.421 4.016 151 2HB GLU 22 2HB GLU 22 5.227 -6.806 3.598 152 1HG GLU 22 1HG GLU 22 5.148 -4.888 1.387 153 2HG GLU 22 2HG GLU 22 6.796 -5.083 1.859 154 H SER 23 H SER 23 4.925 -4.727 6.133 155 HA SER 23 HA SER 23 3.132 -6.599 7.309 156 1HB SER 23 1HB SER 23 5.364 -5.885 8.195 157 2HB SER 23 2HB SER 23 4.665 -4.304 8.597 158 HG SER 23 HG SER 23 3.032 -5.750 9.794 159 H THR 24 H THR 24 2.775 -3.047 7.162 160 HA THR 24 HA THR 24 0.520 -3.013 8.985 161 HB THR 24 HB THR 24 1.733 -0.935 7.072 162 HG1 THR 24 HG1 THR 24 1.549 -1.055 9.893 163 1HG2 THR 24 1HG2 THR 24 -0.538 -0.561 9.088 164 2HG2 THR 24 2HG2 THR 24 -0.620 -0.295 7.333 165 3HG2 THR 24 3HG2 THR 24 0.393 0.753 8.327 166 H LEU 25 H LEU 25 0.896 -3.043 5.465 167 HA LEU 25 HA LEU 25 -1.982 -2.909 5.034 168 1HB LEU 25 1HB LEU 25 0.377 -3.609 3.272 169 2HB LEU 25 2HB LEU 25 -1.260 -3.744 2.703 170 HG LEU 25 HG LEU 25 0.187 -1.579 2.220 171 1HD1 LEU 25 1HD1 LEU 25 -1.942 -0.332 1.930 172 2HD1 LEU 25 2HD1 LEU 25 -2.777 -1.562 2.888 173 3HD1 LEU 25 3HD1 LEU 25 -2.013 -1.993 1.346 174 1HD2 LEU 25 1HD2 LEU 25 -0.391 0.326 3.681 175 2HD2 LEU 25 2HD2 LEU 25 0.602 -0.842 4.539 176 3HD2 LEU 25 3HD2 LEU 25 -1.152 -0.749 4.838 177 H SER 26 H SER 26 0.434 -5.693 5.090 178 HA SER 26 HA SER 26 -1.693 -7.477 4.225 179 1HB SER 26 1HB SER 26 0.695 -7.872 3.751 180 2HB SER 26 2HB SER 26 1.011 -8.133 5.453 181 HG SER 26 HG SER 26 -0.628 -9.804 5.330 182 H ALA 27 H ALA 27 -1.976 -5.918 6.864 183 HA ALA 27 HA ALA 27 -2.836 -8.172 8.646 184 1HB ALA 27 1HB ALA 27 -2.099 -5.279 9.328 185 2HB ALA 27 2HB ALA 27 -2.614 -6.528 10.486 186 3HB ALA 27 3HB ALA 27 -1.074 -6.698 9.618 187 H LEU 28 H LEU 28 -4.012 -5.897 6.375 188 HA LEU 28 HA LEU 28 -6.168 -4.853 7.968 189 1HB LEU 28 1HB LEU 28 -5.735 -4.847 4.960 190 2HB LEU 28 2HB LEU 28 -6.969 -3.937 5.823 191 HG LEU 28 HG LEU 28 -4.025 -3.552 6.470 192 1HD1 LEU 28 1HD1 LEU 28 -4.487 -3.170 3.976 193 2HD1 LEU 28 2HD1 LEU 28 -3.826 -1.820 4.898 194 3HD1 LEU 28 3HD1 LEU 28 -5.533 -1.816 4.491 195 1HD2 LEU 28 1HD2 LEU 28 -5.650 -2.645 8.074 196 2HD2 LEU 28 2HD2 LEU 28 -6.483 -1.789 6.755 197 3HD2 LEU 28 3HD2 LEU 28 -4.810 -1.348 7.205 198 H GLN 29 H GLN 29 -8.140 -5.687 8.305 199 HA GLN 29 HA GLN 29 -8.552 -8.442 7.959 200 1HB GLN 29 1HB GLN 29 -10.686 -6.334 8.470 201 2HB GLN 29 2HB GLN 29 -10.763 -8.040 8.904 202 1HG GLN 29 1HG GLN 29 -8.825 -5.993 10.111 203 2HG GLN 29 2HG GLN 29 -10.304 -6.582 10.845 204 1HE2 GLN 29 1HE2 GLN 29 -6.869 -7.540 10.074 205 2HE2 GLN 29 2HE2 GLN 29 -7.020 -8.960 11.087 206 H TYR 30 H TYR 30 -9.235 -5.987 5.607 207 HA TYR 30 HA TYR 30 -10.880 -7.837 3.966 208 1HB TYR 30 1HB TYR 30 -11.002 -5.776 2.471 209 2HB TYR 30 2HB TYR 30 -11.838 -5.739 4.011 210 HD1 TYR 30 HD1 TYR 30 -8.199 -4.891 3.061 211 HD2 TYR 30 HD2 TYR 30 -11.915 -3.617 4.886 212 HE1 TYR 30 HE1 TYR 30 -7.215 -2.752 3.611 213 HE2 TYR 30 HE2 TYR 30 -10.859 -1.449 5.488 214 HH TYR 30 HH TYR 30 -7.485 -0.653 4.565 215 H VAL 31 H VAL 31 -7.493 -7.413 4.274 216 HA VAL 31 HA VAL 31 -7.152 -7.396 1.311 217 HB VAL 31 HB VAL 31 -5.844 -5.662 2.586 218 1HG1 VAL 31 1HG1 VAL 31 -4.195 -8.019 3.358 219 2HG1 VAL 31 2HG1 VAL 31 -3.781 -6.288 3.376 220 3HG1 VAL 31 3HG1 VAL 31 -5.121 -6.868 4.391 221 1HG2 VAL 31 1HG2 VAL 31 -3.786 -5.969 1.230 222 2HG2 VAL 31 2HG2 VAL 31 -4.170 -7.653 0.957 223 3HG2 VAL 31 3HG2 VAL 31 -5.190 -6.369 0.234 224 H SER 32 H SER 32 -6.183 -9.080 0.229 225 HA SER 32 HA SER 32 -6.071 -11.649 1.770 226 1HB SER 32 1HB SER 32 -7.837 -11.217 -0.029 227 2HB SER 32 2HB SER 32 -6.513 -11.303 -1.205 228 HG SER 32 HG SER 32 -6.048 -13.403 -0.344 229 H SER 33 H SER 33 -4.061 -9.456 -0.009 230 HA SER 33 HA SER 33 -1.615 -10.836 0.363 231 1HB SER 33 1HB SER 33 -3.046 -11.336 -2.205 232 2HB SER 33 2HB SER 33 -1.329 -11.125 -2.290 233 HG SER 33 HG SER 33 -2.708 -12.922 -0.567 234 H ILE 34 H ILE 34 0.079 -9.854 -1.164 235 HA ILE 34 HA ILE 34 -0.120 -7.179 -2.150 236 HB ILE 34 HB ILE 34 -0.516 -6.634 0.222 237 1HG1 ILE 34 1HG1 ILE 34 2.331 -5.784 -0.427 238 2HG1 ILE 34 2HG1 ILE 34 0.913 -5.137 -1.261 239 1HG2 ILE 34 1HG2 ILE 34 2.153 -8.000 0.804 240 2HG2 ILE 34 2HG2 ILE 34 1.215 -7.048 1.955 241 3HG2 ILE 34 3HG2 ILE 34 0.550 -8.555 1.337 242 1HD1 ILE 34 1HD1 ILE 34 0.004 -4.337 0.888 243 2HD1 ILE 34 2HD1 ILE 34 1.471 -4.895 1.715 244 3HD1 ILE 34 3HD1 ILE 34 1.580 -3.618 0.496 245 H VAL 35 H VAL 35 1.828 -6.441 -2.935 246 HA VAL 35 HA VAL 35 4.379 -7.738 -2.289 247 HB VAL 35 HB VAL 35 3.311 -7.593 -5.141 248 1HG1 VAL 35 1HG1 VAL 35 5.517 -6.553 -5.313 249 2HG1 VAL 35 2HG1 VAL 35 6.240 -7.836 -4.312 250 3HG1 VAL 35 3HG1 VAL 35 5.615 -8.192 -5.936 251 1HG2 VAL 35 1HG2 VAL 35 4.685 -9.705 -3.420 252 2HG2 VAL 35 2HG2 VAL 35 3.004 -9.770 -4.030 253 3HG2 VAL 35 3HG2 VAL 35 4.351 -9.955 -5.158 254 H VAL 36 H VAL 36 5.687 -6.209 -1.834 255 HA VAL 36 HA VAL 36 5.423 -3.514 -3.163 256 HB VAL 36 HB VAL 36 6.977 -4.386 -0.722 257 1HG1 VAL 36 1HG1 VAL 36 6.961 -1.687 -2.166 258 2HG1 VAL 36 2HG1 VAL 36 7.445 -1.917 -0.487 259 3HG1 VAL 36 3HG1 VAL 36 8.374 -2.698 -1.780 260 1HG2 VAL 36 1HG2 VAL 36 4.872 -2.241 -1.133 261 2HG2 VAL 36 2HG2 VAL 36 4.489 -3.847 -0.480 262 3HG2 VAL 36 3HG2 VAL 36 5.577 -2.740 0.421 263 H SER 37 H SER 37 6.797 -2.654 -4.442 264 HA SER 37 HA SER 37 9.065 -4.192 -5.582 265 1HB SER 37 1HB SER 37 7.774 -1.517 -6.170 266 2HB SER 37 2HB SER 37 9.360 -1.930 -6.813 267 HG SER 37 HG SER 37 8.428 -3.084 -8.261 268 H LEU 38 H LEU 38 10.490 -4.362 -3.734 269 HA LEU 38 HA LEU 38 11.362 -2.342 -2.066 270 1HB LEU 38 1HB LEU 38 12.027 -4.794 -1.945 271 2HB LEU 38 2HB LEU 38 13.310 -4.384 -3.106 272 HG LEU 38 HG LEU 38 14.279 -2.732 -1.610 273 1HD1 LEU 38 1HD1 LEU 38 13.515 -2.659 0.821 274 2HD1 LEU 38 2HD1 LEU 38 12.055 -3.492 0.300 275 3HD1 LEU 38 3HD1 LEU 38 12.444 -1.856 -0.321 276 1HD2 LEU 38 1HD2 LEU 38 15.012 -5.041 -1.358 277 2HD2 LEU 38 2HD2 LEU 38 13.755 -5.273 -0.098 278 3HD2 LEU 38 3HD2 LEU 38 15.075 -4.098 0.163 279 H GLU 39 H GLU 39 12.656 -3.046 -5.273 280 HA GLU 39 HA GLU 39 14.789 -1.297 -5.448 281 1HB GLU 39 1HB GLU 39 13.892 -1.235 -7.883 282 2HB GLU 39 2HB GLU 39 14.562 -2.722 -7.234 283 1HG GLU 39 1HG GLU 39 12.476 -3.782 -7.139 284 2HG GLU 39 2HG GLU 39 11.581 -2.263 -7.053 285 H ASN 40 H ASN 40 11.332 -0.659 -5.731 286 HA ASN 40 HA ASN 40 11.767 2.182 -6.390 287 1HB ASN 40 1HB ASN 40 10.057 0.042 -7.545 288 2HB ASN 40 2HB ASN 40 9.255 1.602 -7.374 289 1HD2 ASN 40 1HD2 ASN 40 11.616 -0.164 -9.235 290 2HD2 ASN 40 2HD2 ASN 40 12.482 1.242 -9.829 291 H ARG 41 H ARG 41 9.283 3.142 -6.160 292 HA ARG 41 HA ARG 41 8.959 3.397 -3.224 293 1HB ARG 41 1HB ARG 41 7.776 5.341 -5.198 294 2HB ARG 41 2HB ARG 41 8.381 5.624 -3.570 295 1HG ARG 41 1HG ARG 41 10.101 5.219 -6.011 296 2HG ARG 41 2HG ARG 41 9.537 6.761 -5.416 297 1HD ARG 41 1HD ARG 41 11.304 4.816 -3.892 298 2HD ARG 41 2HD ARG 41 11.769 6.285 -4.740 299 HE ARG 41 HE ARG 41 10.924 6.130 -2.064 300 1HH1 ARG 41 1HH1 ARG 41 10.341 8.390 -4.755 301 2HH1 ARG 41 2HH1 ARG 41 10.099 9.728 -3.686 302 1HH2 ARG 41 1HH2 ARG 41 10.856 7.897 -0.791 303 2HH2 ARG 41 2HH2 ARG 41 10.333 9.431 -1.475 304 H SER 42 H SER 42 7.462 1.256 -4.941 305 HA SER 42 HA SER 42 4.671 2.138 -4.336 306 1HB SER 42 1HB SER 42 4.047 1.080 -6.552 307 2HB SER 42 2HB SER 42 4.902 2.608 -6.617 308 HG SER 42 HG SER 42 5.999 -0.007 -7.000 309 H ALA 43 H ALA 43 3.039 0.597 -4.403 310 HA ALA 43 HA ALA 43 3.784 -2.228 -3.677 311 1HB ALA 43 1HB ALA 43 2.286 -2.030 -1.754 312 2HB ALA 43 2HB ALA 43 3.425 -0.672 -1.653 313 3HB ALA 43 3HB ALA 43 1.777 -0.397 -2.232 314 H ILE 44 H ILE 44 2.438 -3.746 -4.495 315 HA ILE 44 HA ILE 44 -0.150 -2.912 -5.759 316 HB ILE 44 HB ILE 44 1.643 -5.278 -6.420 317 1HG1 ILE 44 1HG1 ILE 44 0.794 -2.878 -8.116 318 2HG1 ILE 44 2HG1 ILE 44 2.364 -3.023 -7.337 319 1HG2 ILE 44 1HG2 ILE 44 -0.114 -5.817 -8.120 320 2HG2 ILE 44 2HG2 ILE 44 -0.765 -5.886 -6.495 321 3HG2 ILE 44 3HG2 ILE 44 -1.116 -4.479 -7.517 322 1HD1 ILE 44 1HD1 ILE 44 2.611 -3.625 -9.646 323 2HD1 ILE 44 2HD1 ILE 44 2.809 -5.098 -8.674 324 3HD1 ILE 44 3HD1 ILE 44 1.293 -4.801 -9.563 325 H VAL 45 H VAL 45 -1.821 -3.517 -4.601 326 HA VAL 45 HA VAL 45 -1.425 -5.355 -2.243 327 HB VAL 45 HB VAL 45 -3.139 -2.882 -2.559 328 1HG1 VAL 45 1HG1 VAL 45 -2.354 -4.548 -0.096 329 2HG1 VAL 45 2HG1 VAL 45 -3.346 -3.079 -0.055 330 3HG1 VAL 45 3HG1 VAL 45 -3.964 -4.525 -0.850 331 1HG2 VAL 45 1HG2 VAL 45 -0.817 -2.132 -2.562 332 2HG2 VAL 45 2HG2 VAL 45 -1.564 -1.729 -1.020 333 3HG2 VAL 45 3HG2 VAL 45 -0.461 -3.117 -1.132 334 H VAL 46 H VAL 46 -2.838 -7.081 -2.227 335 HA VAL 46 HA VAL 46 -5.044 -7.134 -4.261 336 HB VAL 46 HB VAL 46 -3.363 -9.306 -2.982 337 1HG1 VAL 46 1HG1 VAL 46 -5.637 -10.217 -3.295 338 2HG1 VAL 46 2HG1 VAL 46 -5.600 -9.709 -4.997 339 3HG1 VAL 46 3HG1 VAL 46 -4.461 -10.949 -4.381 340 1HG2 VAL 46 1HG2 VAL 46 -2.481 -9.752 -5.178 341 2HG2 VAL 46 2HG2 VAL 46 -3.548 -8.544 -5.912 342 3HG2 VAL 46 3HG2 VAL 46 -2.239 -8.041 -4.815 343 H TYR 47 H TYR 47 -7.052 -6.905 -3.342 344 HA TYR 47 HA TYR 47 -7.468 -7.815 -0.527 345 1HB TYR 47 1HB TYR 47 -8.623 -5.811 0.048 346 2HB TYR 47 2HB TYR 47 -7.063 -5.389 -0.587 347 HD1 TYR 47 HD1 TYR 47 -6.774 -4.483 -2.886 348 HD2 TYR 47 HD2 TYR 47 -10.662 -4.990 -1.100 349 HE1 TYR 47 HE1 TYR 47 -7.725 -2.931 -4.550 350 HE2 TYR 47 HE2 TYR 47 -11.644 -3.481 -2.843 351 HH TYR 47 HH TYR 47 -9.627 -2.111 -5.470 352 H ASN 48 H ASN 48 -9.795 -8.119 0.103 353 HA ASN 48 HA ASN 48 -10.997 -9.651 -2.149 354 1HB ASN 48 1HB ASN 48 -10.236 -10.785 -0.023 355 2HB ASN 48 2HB ASN 48 -11.535 -9.943 0.829 356 1HD2 ASN 48 1HD2 ASN 48 -10.731 -12.682 -1.141 357 2HD2 ASN 48 2HD2 ASN 48 -12.392 -13.206 -1.404 358 H ALA 49 H ALA 49 -12.504 -8.578 -3.237 359 HA ALA 49 HA ALA 49 -14.958 -7.674 -2.042 360 1HB ALA 49 1HB ALA 49 -13.530 -5.731 -1.412 361 2HB ALA 49 2HB ALA 49 -12.984 -5.585 -3.097 362 3HB ALA 49 3HB ALA 49 -14.678 -5.257 -2.672 363 H SER 50 H SER 50 -16.580 -7.442 -3.668 364 HA SER 50 HA SER 50 -15.833 -7.980 -6.460 365 1HB SER 50 1HB SER 50 -18.525 -7.135 -5.329 366 2HB SER 50 2HB SER 50 -18.218 -7.993 -6.850 367 HG SER 50 HG SER 50 -17.597 -9.810 -5.623 368 H SER 51 H SER 51 -15.326 -5.290 -4.753 369 HA SER 51 HA SER 51 -16.376 -3.373 -6.784 370 1HB SER 51 1HB SER 51 -16.221 -3.079 -3.755 371 2HB SER 51 2HB SER 51 -16.527 -1.736 -4.868 372 HG SER 51 HG SER 51 -18.454 -2.643 -4.007 373 H VAL 52 H VAL 52 -15.073 -1.530 -7.165 374 HA VAL 52 HA VAL 52 -12.222 -1.706 -6.414 375 HB VAL 52 HB VAL 52 -12.576 -1.258 -8.701 376 1HG1 VAL 52 1HG1 VAL 52 -14.859 -0.293 -8.691 377 2HG1 VAL 52 2HG1 VAL 52 -14.201 1.235 -8.063 378 3HG1 VAL 52 3HG1 VAL 52 -13.717 0.646 -9.657 379 1HG2 VAL 52 1HG2 VAL 52 -11.272 0.755 -9.012 380 2HG2 VAL 52 2HG2 VAL 52 -11.726 1.360 -7.408 381 3HG2 VAL 52 3HG2 VAL 52 -10.702 -0.089 -7.561 382 H THR 53 H THR 53 -11.762 -0.974 -4.462 383 HA THR 53 HA THR 53 -12.564 1.755 -3.614 384 HB THR 53 HB THR 53 -13.043 -0.605 -1.756 385 HG1 THR 53 HG1 THR 53 -14.652 0.829 -3.524 386 1HG2 THR 53 1HG2 THR 53 -13.713 2.378 -1.594 387 2HG2 THR 53 2HG2 THR 53 -12.521 1.523 -0.598 388 3HG2 THR 53 3HG2 THR 53 -14.243 1.139 -0.430 389 HA PRO 54 HA PRO 54 -8.162 0.547 -2.861 390 1HB PRO 54 1HB PRO 54 -6.939 2.538 -4.277 391 2HB PRO 54 2HB PRO 54 -7.630 1.089 -5.060 392 1HG PRO 54 1HG PRO 54 -8.925 3.807 -4.721 393 2HG PRO 54 2HG PRO 54 -8.737 2.856 -6.232 394 1HD PRO 54 1HD PRO 54 -11.022 2.757 -4.794 395 2HD PRO 54 2HD PRO 54 -10.354 1.285 -5.554 396 H GLU 55 H GLU 55 -10.114 3.331 -2.152 397 HA GLU 55 HA GLU 55 -8.347 5.175 -1.089 398 1HB GLU 55 1HB GLU 55 -11.178 4.471 -0.186 399 2HB GLU 55 2HB GLU 55 -10.293 5.897 0.341 400 1HG GLU 55 1HG GLU 55 -11.848 6.486 -1.433 401 2HG GLU 55 2HG GLU 55 -10.178 6.766 -1.933 402 H SER 56 H SER 56 -9.931 2.474 0.762 403 HA SER 56 HA SER 56 -8.842 3.181 3.262 404 1HB SER 56 1HB SER 56 -9.458 0.356 2.472 405 2HB SER 56 2HB SER 56 -9.806 1.198 3.986 406 HG SER 56 HG SER 56 -11.658 0.815 2.462 407 H LEU 57 H LEU 57 -7.446 1.348 0.588 408 HA LEU 57 HA LEU 57 -5.241 0.230 2.200 409 1HB LEU 57 1HB LEU 57 -5.450 0.595 -0.792 410 2HB LEU 57 2HB LEU 57 -4.259 -0.366 0.063 411 HG LEU 57 HG LEU 57 -7.243 -0.933 -0.250 412 1HD1 LEU 57 1HD1 LEU 57 -5.883 -3.106 -1.226 413 2HD1 LEU 57 2HD1 LEU 57 -4.713 -1.821 -1.579 414 3HD1 LEU 57 3HD1 LEU 57 -6.348 -1.701 -2.228 415 1HD2 LEU 57 1HD2 LEU 57 -6.862 -3.053 0.920 416 2HD2 LEU 57 2HD2 LEU 57 -6.501 -1.670 1.968 417 3HD2 LEU 57 3HD2 LEU 57 -5.174 -2.610 1.260 418 H ARG 58 H ARG 58 -5.648 2.983 -0.135 419 HA ARG 58 HA ARG 58 -3.076 4.053 0.057 420 1HB ARG 58 1HB ARG 58 -5.098 4.679 -1.453 421 2HB ARG 58 2HB ARG 58 -5.651 5.660 -0.164 422 1HG ARG 58 1HG ARG 58 -3.213 6.632 -0.207 423 2HG ARG 58 2HG ARG 58 -3.152 5.924 -1.819 424 1HD ARG 58 1HD ARG 58 -3.903 7.989 -2.410 425 2HD ARG 58 2HD ARG 58 -5.483 7.235 -2.105 426 HE ARG 58 HE ARG 58 -4.370 8.356 0.319 427 1HH1 ARG 58 1HH1 ARG 58 -5.929 9.535 -2.609 428 2HH1 ARG 58 2HH1 ARG 58 -6.104 11.145 -1.964 429 1HH2 ARG 58 1HH2 ARG 58 -4.545 10.257 1.065 430 2HH2 ARG 58 2HH2 ARG 58 -5.280 11.595 0.176 431 H LYS 59 H LYS 59 -5.986 4.878 2.124 432 HA LYS 59 HA LYS 59 -4.687 6.406 4.062 433 1HB LYS 59 1HB LYS 59 -7.046 4.485 4.203 434 2HB LYS 59 2HB LYS 59 -6.565 5.568 5.484 435 1HG LYS 59 1HG LYS 59 -7.729 6.290 2.805 436 2HG LYS 59 2HG LYS 59 -8.311 6.702 4.406 437 1HD LYS 59 1HD LYS 59 -5.808 7.804 3.052 438 2HD LYS 59 2HD LYS 59 -7.327 8.580 3.155 439 1HE LYS 59 1HE LYS 59 -7.207 8.553 5.680 440 2HE LYS 59 2HE LYS 59 -5.603 7.818 5.558 441 1HZ LYS 59 1HZ LYS 59 -4.820 9.797 4.415 442 2HZ LYS 59 2HZ LYS 59 -5.454 10.222 5.849 443 3HZ LYS 59 3HZ LYS 59 -6.296 10.483 4.454 444 H ALA 60 H ALA 60 -4.840 2.746 3.984 445 HA ALA 60 HA ALA 60 -3.595 2.493 6.573 446 1HB ALA 60 1HB ALA 60 -4.894 0.712 5.446 447 2HB ALA 60 2HB ALA 60 -3.640 0.587 4.191 448 3HB ALA 60 3HB ALA 60 -3.254 0.183 5.882 449 H ILE 61 H ILE 61 -2.235 2.719 3.270 450 HA ILE 61 HA ILE 61 0.508 2.497 4.106 451 HB ILE 61 HB ILE 61 -0.577 4.071 1.716 452 1HG1 ILE 61 1HG1 ILE 61 0.262 1.153 1.787 453 2HG1 ILE 61 2HG1 ILE 61 -1.347 1.768 1.523 454 1HG2 ILE 61 1HG2 ILE 61 2.183 2.902 2.272 455 2HG2 ILE 61 2HG2 ILE 61 1.688 3.719 0.769 456 3HG2 ILE 61 3HG2 ILE 61 1.739 4.622 2.240 457 1HD1 ILE 61 1HD1 ILE 61 0.983 1.996 -0.382 458 2HD1 ILE 61 2HD1 ILE 61 -0.567 1.177 -0.607 459 3HD1 ILE 61 3HD1 ILE 61 -0.502 2.955 -0.546 460 H GLU 62 H GLU 62 -1.457 5.470 3.516 461 HA GLU 62 HA GLU 62 0.443 7.330 4.413 462 1HB GLU 62 1HB GLU 62 -2.581 7.325 4.801 463 2HB GLU 62 2HB GLU 62 -1.496 8.672 5.158 464 1HG GLU 62 1HG GLU 62 -0.923 9.001 2.873 465 2HG GLU 62 2HG GLU 62 -1.753 7.514 2.384 466 H ALA 63 H ALA 63 -1.499 5.043 6.366 467 HA ALA 63 HA ALA 63 -0.970 6.489 8.857 468 1HB ALA 63 1HB ALA 63 -2.285 3.786 8.346 469 2HB ALA 63 2HB ALA 63 -2.328 4.702 9.863 470 3HB ALA 63 3HB ALA 63 -3.140 5.349 8.422 471 H VAL 64 H VAL 64 1.106 4.835 7.110 472 HA VAL 64 HA VAL 64 2.428 3.467 9.409 473 HB VAL 64 HB VAL 64 2.032 2.385 6.967 474 1HG1 VAL 64 1HG1 VAL 64 4.831 3.336 6.548 475 2HG1 VAL 64 2HG1 VAL 64 3.768 2.324 5.533 476 3HG1 VAL 64 3HG1 VAL 64 3.376 4.038 5.813 477 1HG2 VAL 64 1HG2 VAL 64 3.147 1.392 9.090 478 2HG2 VAL 64 2HG2 VAL 64 3.900 0.853 7.571 479 3HG2 VAL 64 3HG2 VAL 64 4.660 2.148 8.548 480 H SER 65 H SER 65 2.776 6.127 7.124 481 HA SER 65 HA SER 65 4.624 7.317 9.004 482 1HB SER 65 1HB SER 65 5.809 7.654 6.337 483 2HB SER 65 2HB SER 65 6.459 7.436 7.959 484 HG SER 65 HG SER 65 5.766 5.197 7.773 485 HA PRO 66 HA PRO 66 1.211 9.836 7.170 486 1HB PRO 66 1HB PRO 66 0.278 10.858 9.602 487 2HB PRO 66 2HB PRO 66 -0.305 9.371 8.796 488 1HG PRO 66 1HG PRO 66 1.797 9.614 10.973 489 2HG PRO 66 2HG PRO 66 0.413 8.467 10.882 490 1HD PRO 66 1HD PRO 66 2.829 7.596 10.112 491 2HD PRO 66 2HD PRO 66 1.451 7.249 9.107 492 H GLY 67 H GLY 67 1.158 11.957 6.704 493 1HA GLY 67 1HA GLY 67 1.793 14.218 6.656 494 2HA GLY 67 2HA GLY 67 2.914 13.930 8.013 495 H LEU 68 H LEU 68 4.264 11.691 6.780 496 HA LEU 68 HA LEU 68 6.144 13.088 4.981 497 1HB LEU 68 1HB LEU 68 6.972 11.828 6.846 498 2HB LEU 68 2HB LEU 68 6.043 10.406 6.397 499 HG LEU 68 HG LEU 68 7.402 10.085 4.389 500 1HD1 LEU 68 1HD1 LEU 68 8.076 12.378 3.860 501 2HD1 LEU 68 2HD1 LEU 68 9.498 11.350 4.084 502 3HD1 LEU 68 3HD1 LEU 68 9.007 12.472 5.379 503 1HD2 LEU 68 1HD2 LEU 68 8.993 10.452 6.952 504 2HD2 LEU 68 2HD2 LEU 68 9.462 9.440 5.568 505 3HD2 LEU 68 3HD2 LEU 68 8.022 9.025 6.514 506 H TYR 69 H TYR 69 4.021 10.204 4.861 507 HA TYR 69 HA TYR 69 4.851 9.438 2.247 508 1HB TYR 69 1HB TYR 69 2.681 8.572 4.181 509 2HB TYR 69 2HB TYR 69 2.711 7.992 2.540 510 HD1 TYR 69 HD1 TYR 69 2.702 5.771 3.643 511 HD2 TYR 69 HD2 TYR 69 6.126 8.394 3.797 512 HE1 TYR 69 HE1 TYR 69 4.144 3.852 3.780 513 HE2 TYR 69 HE2 TYR 69 7.566 6.449 4.252 514 HH TYR 69 HH TYR 69 6.206 3.110 4.135 515 H ARG 70 H ARG 70 4.543 10.763 0.566 516 HA ARG 70 HA ARG 70 2.166 12.153 -0.117 517 1HB ARG 70 1HB ARG 70 4.712 12.333 -0.920 518 2HB ARG 70 2HB ARG 70 4.207 11.179 -2.123 519 1HG ARG 70 1HG ARG 70 3.616 12.922 -3.413 520 2HG ARG 70 2HG ARG 70 2.226 13.133 -2.345 521 1HD ARG 70 1HD ARG 70 3.256 15.250 -2.445 522 2HD ARG 70 2HD ARG 70 3.711 14.555 -0.868 523 HE ARG 70 HE ARG 70 5.748 13.889 -2.770 524 1HH1 ARG 70 1HH1 ARG 70 4.559 16.923 -1.361 525 2HH1 ARG 70 2HH1 ARG 70 6.118 17.677 -1.531 526 1HH2 ARG 70 1HH2 ARG 70 7.621 14.872 -2.987 527 2HH2 ARG 70 2HH2 ARG 70 7.868 16.524 -2.473 528 H VAL 71 H VAL 71 1.194 9.639 0.400 529 HA VAL 71 HA VAL 71 1.338 7.779 -1.725 530 HB VAL 71 HB VAL 71 -1.075 7.739 0.089 531 1HG1 VAL 71 1HG1 VAL 71 0.665 5.501 -1.072 532 2HG1 VAL 71 2HG1 VAL 71 -0.855 5.318 -0.166 533 3HG1 VAL 71 3HG1 VAL 71 -0.869 6.033 -1.775 534 1HG2 VAL 71 1HG2 VAL 71 0.762 8.128 1.577 535 2HG2 VAL 71 2HG2 VAL 71 0.331 6.422 1.687 536 3HG2 VAL 71 3HG2 VAL 71 1.771 6.915 0.762 537 H SER 72 H SER 72 0.576 7.526 -3.573 538 HA SER 72 HA SER 72 -2.053 8.729 -4.362 539 1HB SER 72 1HB SER 72 0.610 8.858 -5.812 540 2HB SER 72 2HB SER 72 -0.946 9.340 -6.474 541 HG SER 72 HG SER 72 0.348 10.479 -4.212 542 H ILE 73 H ILE 73 -2.951 7.684 -6.270 543 HA ILE 73 HA ILE 73 -2.345 4.756 -6.439 544 HB ILE 73 HB ILE 73 -4.807 6.397 -7.231 545 1HG1 ILE 73 1HG1 ILE 73 -4.531 4.373 -4.984 546 2HG1 ILE 73 2HG1 ILE 73 -4.409 6.105 -4.717 547 1HG2 ILE 73 1HG2 ILE 73 -4.461 3.360 -7.239 548 2HG2 ILE 73 2HG2 ILE 73 -5.925 4.253 -7.687 549 3HG2 ILE 73 3HG2 ILE 73 -4.496 4.389 -8.689 550 1HD1 ILE 73 1HD1 ILE 73 -6.622 5.348 -4.113 551 2HD1 ILE 73 2HD1 ILE 73 -6.718 6.429 -5.521 552 3HD1 ILE 73 3HD1 ILE 73 -6.884 4.671 -5.724 553 H THR 74 H THR 74 -1.358 3.965 -8.085 554 HA THR 74 HA THR 74 -0.846 5.696 -10.404 555 HB THR 74 HB THR 74 0.345 2.949 -10.277 556 HG1 THR 74 HG1 THR 74 1.015 4.991 -8.437 557 1HG2 THR 74 1HG2 THR 74 1.457 5.777 -10.533 558 2HG2 THR 74 2HG2 THR 74 1.004 4.728 -11.900 559 3HG2 THR 74 3HG2 THR 74 2.351 4.263 -10.834 560 H SER 75 H SER 75 -2.498 5.710 -11.883 561 HA SER 75 HA SER 75 -3.073 3.269 -13.376 562 1HB SER 75 1HB SER 75 -5.170 4.571 -11.608 563 2HB SER 75 2HB SER 75 -5.589 3.595 -13.024 564 HG SER 75 HG SER 75 -3.772 2.518 -11.163 565 H GLU 76 H GLU 76 -4.573 3.781 -15.257 566 HA GLU 76 HA GLU 76 -3.514 6.182 -16.552 567 1HB GLU 76 1HB GLU 76 -3.490 3.953 -17.581 568 2HB GLU 76 2HB GLU 76 -5.248 3.912 -17.568 569 1HG GLU 76 1HG GLU 76 -4.472 6.380 -18.864 570 2HG GLU 76 2HG GLU 76 -3.366 5.152 -19.464 571 H VAL 77 H VAL 77 -4.693 7.419 -14.969 572 HA VAL 77 HA VAL 77 -7.539 8.011 -15.394 573 HB VAL 77 HB VAL 77 -5.386 9.625 -13.963 574 1HG1 VAL 77 1HG1 VAL 77 -7.357 11.019 -14.479 575 2HG1 VAL 77 2HG1 VAL 77 -8.432 9.783 -13.794 576 3HG1 VAL 77 3HG1 VAL 77 -7.295 10.666 -12.751 577 1HG2 VAL 77 1HG2 VAL 77 -5.583 7.411 -12.907 578 2HG2 VAL 77 2HG2 VAL 77 -6.325 8.635 -11.879 579 3HG2 VAL 77 3HG2 VAL 77 -7.352 7.570 -12.863 Start of MODEL 6 1 1H ASN 1 1HT ASN 1 -9.677 -15.612 -5.725 2 HA ASN 1 HA ASN 1 -10.919 -14.421 -7.184 3 1HB ASN 1 1HB ASN 1 -12.834 -16.031 -6.920 4 2HB ASN 1 2HB ASN 1 -13.469 -14.984 -5.646 5 1HD2 ASN 1 1HD2 ASN 1 -15.360 -14.958 -7.156 6 2HD2 ASN 1 2HD2 ASN 1 -15.322 -13.743 -8.437 7 H ASP 2 H ASP 2 -9.649 -12.750 -6.479 8 HA ASP 2 HA ASP 2 -10.683 -10.825 -4.535 9 1HB ASP 2 1HB ASP 2 -8.120 -10.418 -4.248 10 2HB ASP 2 2HB ASP 2 -8.895 -11.758 -3.457 11 H SER 3 H SER 3 -9.528 -8.665 -4.744 12 HA SER 3 HA SER 3 -9.403 -7.728 -7.571 13 1HB SER 3 1HB SER 3 -11.166 -6.752 -5.848 14 2HB SER 3 2HB SER 3 -9.767 -5.885 -5.220 15 HG SER 3 HG SER 3 -11.056 -5.710 -7.705 16 H THR 4 H THR 4 -8.083 -5.405 -7.258 17 HA THR 4 HA THR 4 -5.565 -5.667 -5.867 18 HB THR 4 HB THR 4 -5.748 -6.533 -8.759 19 HG1 THR 4 HG1 THR 4 -5.606 -7.853 -6.728 20 1HG2 THR 4 1HG2 THR 4 -3.265 -6.457 -8.889 21 2HG2 THR 4 2HG2 THR 4 -3.213 -5.515 -7.388 22 3HG2 THR 4 3HG2 THR 4 -3.963 -4.834 -8.858 23 H ALA 5 H ALA 5 -4.311 -3.863 -6.038 24 HA ALA 5 HA ALA 5 -4.806 -1.810 -8.011 25 1HB ALA 5 1HB ALA 5 -5.357 -1.295 -5.063 26 2HB ALA 5 2HB ALA 5 -5.095 0.006 -6.238 27 3HB ALA 5 3HB ALA 5 -6.485 -1.094 -6.419 28 H THR 6 H THR 6 -3.187 -0.072 -7.858 29 HA THR 6 HA THR 6 -0.593 -0.930 -6.636 30 HB THR 6 HB THR 6 -0.976 0.643 -9.196 31 HG1 THR 6 HG1 THR 6 -0.759 -1.218 -10.254 32 1HG2 THR 6 1HG2 THR 6 1.422 -0.059 -9.550 33 2HG2 THR 6 2HG2 THR 6 1.422 -0.687 -7.879 34 3HG2 THR 6 3HG2 THR 6 1.183 1.046 -8.188 35 H PHE 7 H PHE 7 0.569 0.602 -5.619 36 HA PHE 7 HA PHE 7 -0.407 3.394 -5.593 37 1HB PHE 7 1HB PHE 7 0.216 2.024 -2.974 38 2HB PHE 7 2HB PHE 7 -0.525 3.582 -3.282 39 HD1 PHE 7 HD1 PHE 7 -1.295 -0.127 -3.718 40 HD2 PHE 7 HD2 PHE 7 -2.857 3.909 -3.310 41 HE1 PHE 7 HE1 PHE 7 -3.556 -0.994 -3.732 42 HE2 PHE 7 HE2 PHE 7 -5.151 2.971 -3.261 43 HZ PHE 7 HZ PHE 7 -5.514 0.543 -3.523 44 H ILE 8 H ILE 8 1.125 4.944 -5.180 45 HA ILE 8 HA ILE 8 3.917 4.044 -4.663 46 HB ILE 8 HB ILE 8 3.336 4.191 -7.109 47 1HG1 ILE 8 1HG1 ILE 8 5.357 6.351 -6.294 48 2HG1 ILE 8 2HG1 ILE 8 5.608 4.671 -5.869 49 1HG2 ILE 8 1HG2 ILE 8 1.784 6.102 -7.094 50 2HG2 ILE 8 2HG2 ILE 8 3.140 7.194 -6.730 51 3HG2 ILE 8 3HG2 ILE 8 3.096 6.297 -8.258 52 1HD1 ILE 8 1HD1 ILE 8 5.554 3.967 -8.204 53 2HD1 ILE 8 2HD1 ILE 8 5.330 5.660 -8.723 54 3HD1 ILE 8 3HD1 ILE 8 6.828 5.162 -7.903 55 H ILE 9 H ILE 9 5.093 5.211 -3.411 56 HA ILE 9 HA ILE 9 3.685 7.463 -2.127 57 HB ILE 9 HB ILE 9 5.916 5.804 -0.907 58 1HG1 ILE 9 1HG1 ILE 9 4.258 4.578 0.438 59 2HG1 ILE 9 2HG1 ILE 9 2.980 5.066 -0.547 60 1HG2 ILE 9 1HG2 ILE 9 3.895 7.871 0.057 61 2HG2 ILE 9 2HG2 ILE 9 4.680 6.733 1.189 62 3HG2 ILE 9 3HG2 ILE 9 5.638 7.850 0.226 63 1HD1 ILE 9 1HD1 ILE 9 4.030 3.621 -2.338 64 2HD1 ILE 9 2HD1 ILE 9 5.415 3.371 -1.209 65 3HD1 ILE 9 3HD1 ILE 9 3.805 2.765 -0.811 66 H ASP 10 H ASP 10 4.599 9.478 -2.177 67 HA ASP 10 HA ASP 10 7.545 9.677 -2.600 68 1HB ASP 10 1HB ASP 10 5.979 11.227 -3.867 69 2HB ASP 10 2HB ASP 10 5.628 12.004 -2.351 70 H GLY 11 H GLY 11 8.698 9.352 -0.783 71 1HA GLY 11 1HA GLY 11 9.515 10.884 1.046 72 2HA GLY 11 2HA GLY 11 7.879 10.790 1.725 73 H MET 12 H MET 12 8.121 7.792 0.627 74 HA MET 12 HA MET 12 8.875 6.678 3.155 75 1HB MET 12 1HB MET 12 8.216 4.674 2.362 76 2HB MET 12 2HB MET 12 7.344 5.638 1.292 77 1HG MET 12 1HG MET 12 8.981 5.210 -0.493 78 2HG MET 12 2HG MET 12 10.021 4.380 0.638 79 1HE MET 12 1HE MET 12 9.354 1.180 -0.960 80 2HE MET 12 2HE MET 12 10.325 2.651 -1.006 81 3HE MET 12 3HE MET 12 10.177 1.738 0.514 82 H HIS 13 H HIS 13 10.658 5.603 3.841 83 HA HIS 13 HA HIS 13 13.183 6.584 3.211 84 1HB HIS 13 1HB HIS 13 12.290 4.108 4.697 85 2HB HIS 13 2HB HIS 13 13.954 4.690 4.705 86 HD1 HIS 13 HD1 HIS 13 13.827 5.018 7.350 87 HD2 HIS 13 HD2 HIS 13 11.261 7.439 5.061 88 HE1 HIS 13 HE1 HIS 13 12.950 6.835 8.907 89 H CYS 14 H CYS 14 11.713 4.551 1.104 90 HA CYS 14 HA CYS 14 12.476 3.452 -0.794 91 1HB CYS 14 1HB CYS 14 14.868 5.170 -0.091 92 2HB CYS 14 2HB CYS 14 14.728 4.279 -1.599 93 HG CYS 14 HG CYS 14 12.575 6.484 -0.348 94 H LYS 15 H LYS 15 12.970 2.044 1.754 95 HA LYS 15 HA LYS 15 14.062 -0.440 0.901 96 1HB LYS 15 1HB LYS 15 16.149 1.469 1.533 97 2HB LYS 15 2HB LYS 15 16.065 0.354 2.864 98 1HG LYS 15 1HG LYS 15 17.560 -0.700 1.558 99 2HG LYS 15 2HG LYS 15 16.111 -1.545 1.046 100 1HD LYS 15 1HD LYS 15 17.254 0.860 -0.454 101 2HD LYS 15 2HD LYS 15 17.849 -0.777 -0.691 102 1HE LYS 15 1HE LYS 15 16.029 -1.538 -1.827 103 2HE LYS 15 2HE LYS 15 14.921 -0.449 -0.983 104 1HZ LYS 15 1HZ LYS 15 15.109 0.228 -3.242 105 2HZ LYS 15 2HZ LYS 15 16.753 0.437 -3.126 106 3HZ LYS 15 3HZ LYS 15 15.695 1.363 -2.254 107 H SER 16 H SER 16 14.826 0.481 4.250 108 HA SER 16 HA SER 16 13.205 -1.439 5.328 109 1HB SER 16 1HB SER 16 13.673 1.179 6.767 110 2HB SER 16 2HB SER 16 13.568 -0.463 7.426 111 HG SER 16 HG SER 16 15.745 -0.080 7.282 112 H CYS 17 H CYS 17 11.873 1.761 4.298 113 HA CYS 17 HA CYS 17 9.389 1.613 5.669 114 1HB CYS 17 1HB CYS 17 10.571 2.963 3.244 115 2HB CYS 17 2HB CYS 17 8.864 2.784 3.217 116 HG CYS 17 HG CYS 17 8.638 3.564 5.920 117 H VAL 18 H VAL 18 10.490 -0.317 2.840 118 HA VAL 18 HA VAL 18 7.996 -1.291 2.050 119 HB VAL 18 HB VAL 18 10.868 -2.287 1.998 120 1HG1 VAL 18 1HG1 VAL 18 8.428 -3.732 0.986 121 2HG1 VAL 18 2HG1 VAL 18 10.001 -3.912 0.175 122 3HG1 VAL 18 3HG1 VAL 18 9.811 -4.360 1.878 123 1HG2 VAL 18 1HG2 VAL 18 9.060 -0.611 0.318 124 2HG2 VAL 18 2HG2 VAL 18 10.788 -0.497 0.616 125 3HG2 VAL 18 3HG2 VAL 18 10.156 -1.676 -0.529 126 H SER 19 H SER 19 10.101 -2.419 4.707 127 HA SER 19 HA SER 19 8.677 -4.902 5.213 128 1HB SER 19 1HB SER 19 11.032 -3.949 6.012 129 2HB SER 19 2HB SER 19 10.107 -3.141 7.278 130 HG SER 19 HG SER 19 9.358 -5.272 7.909 131 H ASN 20 H ASN 20 8.281 -1.564 6.440 132 HA ASN 20 HA ASN 20 6.104 -2.141 8.247 133 1HB ASN 20 1HB ASN 20 6.712 0.390 6.724 134 2HB ASN 20 2HB ASN 20 5.704 0.289 8.108 135 1HD2 ASN 20 1HD2 ASN 20 8.197 1.783 7.557 136 2HD2 ASN 20 2HD2 ASN 20 9.313 1.331 8.833 137 H ILE 21 H ILE 21 6.241 -1.025 4.823 138 HA ILE 21 HA ILE 21 3.399 -0.615 4.643 139 HB ILE 21 HB ILE 21 5.104 -1.259 2.230 140 1HG1 ILE 21 1HG1 ILE 21 5.629 1.037 4.068 141 2HG1 ILE 21 2HG1 ILE 21 6.550 0.249 2.796 142 1HG2 ILE 21 1HG2 ILE 21 2.660 0.478 2.713 143 2HG2 ILE 21 2HG2 ILE 21 3.475 0.261 1.135 144 3HG2 ILE 21 3HG2 ILE 21 2.714 -1.105 1.914 145 1HD1 ILE 21 1HD1 ILE 21 6.203 2.550 2.192 146 2HD1 ILE 21 2HD1 ILE 21 5.532 1.428 1.005 147 3HD1 ILE 21 3HD1 ILE 21 4.451 2.283 2.122 148 H GLU 22 H GLU 22 5.430 -3.363 3.653 149 HA GLU 22 HA GLU 22 3.418 -5.171 2.820 150 1HB GLU 22 1HB GLU 22 6.158 -5.432 4.108 151 2HB GLU 22 2HB GLU 22 5.245 -6.847 3.719 152 1HG GLU 22 1HG GLU 22 5.200 -4.986 1.449 153 2HG GLU 22 2HG GLU 22 6.842 -5.185 1.964 154 H SER 23 H SER 23 4.734 -4.641 6.163 155 HA SER 23 HA SER 23 2.921 -6.506 7.329 156 1HB SER 23 1HB SER 23 4.306 -4.085 8.606 157 2HB SER 23 2HB SER 23 3.626 -5.473 9.482 158 HG SER 23 HG SER 23 5.902 -5.356 7.793 159 H THR 24 H THR 24 2.521 -2.967 7.104 160 HA THR 24 HA THR 24 0.121 -2.944 8.706 161 HB THR 24 HB THR 24 1.444 -0.869 6.853 162 HG1 THR 24 HG1 THR 24 1.027 -1.046 9.650 163 1HG2 THR 24 1HG2 THR 24 -0.991 -0.520 8.680 164 2HG2 THR 24 2HG2 THR 24 -0.940 -0.269 6.924 165 3HG2 THR 24 3HG2 THR 24 -0.025 0.805 7.983 166 H LEU 25 H LEU 25 0.705 -3.070 5.224 167 HA LEU 25 HA LEU 25 -2.139 -3.013 4.620 168 1HB LEU 25 1HB LEU 25 0.345 -3.750 3.058 169 2HB LEU 25 2HB LEU 25 -1.251 -3.855 2.367 170 HG LEU 25 HG LEU 25 0.259 -1.713 1.966 171 1HD1 LEU 25 1HD1 LEU 25 -1.798 -0.420 1.552 172 2HD1 LEU 25 2HD1 LEU 25 -2.731 -1.595 2.491 173 3HD1 LEU 25 3HD1 LEU 25 -1.919 -2.092 0.987 174 1HD2 LEU 25 1HD2 LEU 25 -0.390 0.230 3.362 175 2HD2 LEU 25 2HD2 LEU 25 0.535 -0.931 4.299 176 3HD2 LEU 25 3HD2 LEU 25 -1.235 -0.823 4.479 177 H SER 26 H SER 26 0.342 -5.729 4.862 178 HA SER 26 HA SER 26 -1.692 -7.625 3.971 179 1HB SER 26 1HB SER 26 0.853 -7.652 3.626 180 2HB SER 26 2HB SER 26 0.961 -8.315 5.228 181 HG SER 26 HG SER 26 0.795 -10.031 3.853 182 H ALA 27 H ALA 27 -2.041 -6.065 6.540 183 HA ALA 27 HA ALA 27 -2.932 -8.330 8.282 184 1HB ALA 27 1HB ALA 27 -1.155 -6.965 9.340 185 2HB ALA 27 2HB ALA 27 -2.094 -5.487 9.053 186 3HB ALA 27 3HB ALA 27 -2.706 -6.730 10.171 187 H LEU 28 H LEU 28 -4.075 -6.122 6.001 188 HA LEU 28 HA LEU 28 -6.221 -4.958 7.533 189 1HB LEU 28 1HB LEU 28 -5.698 -5.106 4.543 190 2HB LEU 28 2HB LEU 28 -7.030 -4.217 5.267 191 HG LEU 28 HG LEU 28 -4.158 -3.641 6.062 192 1HD1 LEU 28 1HD1 LEU 28 -5.689 -2.144 3.902 193 2HD1 LEU 28 2HD1 LEU 28 -4.461 -3.387 3.546 194 3HD1 LEU 28 3HD1 LEU 28 -4.024 -1.914 4.421 195 1HD2 LEU 28 1HD2 LEU 28 -5.910 -2.735 7.529 196 2HD2 LEU 28 2HD2 LEU 28 -6.718 -2.002 6.120 197 3HD2 LEU 28 3HD2 LEU 28 -5.095 -1.446 6.628 198 H GLN 29 H GLN 29 -8.208 -5.544 7.795 199 HA GLN 29 HA GLN 29 -9.146 -8.094 7.907 200 1HB GLN 29 1HB GLN 29 -11.386 -7.075 8.188 201 2HB GLN 29 2HB GLN 29 -10.138 -6.191 9.070 202 1HG GLN 29 1HG GLN 29 -10.083 -4.452 7.299 203 2HG GLN 29 2HG GLN 29 -11.242 -5.373 6.334 204 1HE2 GLN 29 1HE2 GLN 29 -11.419 -4.661 9.918 205 2HE2 GLN 29 2HE2 GLN 29 -12.913 -3.752 9.688 206 H TYR 30 H TYR 30 -9.058 -6.363 4.934 207 HA TYR 30 HA TYR 30 -10.801 -8.381 3.588 208 1HB TYR 30 1HB TYR 30 -10.928 -6.440 1.852 209 2HB TYR 30 2HB TYR 30 -11.890 -6.387 3.308 210 HD1 TYR 30 HD1 TYR 30 -8.235 -5.350 2.689 211 HD2 TYR 30 HD2 TYR 30 -12.226 -4.203 3.917 212 HE1 TYR 30 HE1 TYR 30 -7.449 -3.109 3.160 213 HE2 TYR 30 HE2 TYR 30 -11.391 -1.928 4.451 214 HH TYR 30 HH TYR 30 -7.981 -0.981 3.912 215 H VAL 31 H VAL 31 -7.439 -7.745 3.864 216 HA VAL 31 HA VAL 31 -7.078 -7.771 0.924 217 HB VAL 31 HB VAL 31 -5.845 -6.060 2.197 218 1HG1 VAL 31 1HG1 VAL 31 -3.826 -6.531 3.118 219 2HG1 VAL 31 2HG1 VAL 31 -5.155 -7.205 4.087 220 3HG1 VAL 31 3HG1 VAL 31 -4.104 -8.301 3.116 221 1HG2 VAL 31 1HG2 VAL 31 -4.048 -7.985 0.639 222 2HG2 VAL 31 2HG2 VAL 31 -5.093 -6.737 -0.096 223 3HG2 VAL 31 3HG2 VAL 31 -3.736 -6.279 0.931 224 H SER 32 H SER 32 -6.123 -9.336 -0.267 225 HA SER 32 HA SER 32 -6.070 -12.085 0.886 226 1HB SER 32 1HB SER 32 -7.430 -11.817 -1.068 227 2HB SER 32 2HB SER 32 -6.189 -10.870 -1.893 228 HG SER 32 HG SER 32 -6.085 -12.850 -2.769 229 H SER 33 H SER 33 -3.954 -9.667 -0.619 230 HA SER 33 HA SER 33 -1.460 -10.960 0.045 231 1HB SER 33 1HB SER 33 -2.740 -11.441 -2.611 232 2HB SER 33 2HB SER 33 -1.009 -11.282 -2.577 233 HG SER 33 HG SER 33 -2.503 -13.010 -0.870 234 H ILE 34 H ILE 34 0.312 -9.981 -1.398 235 HA ILE 34 HA ILE 34 0.153 -7.305 -2.393 236 HB ILE 34 HB ILE 34 -0.348 -6.774 -0.036 237 1HG1 ILE 34 1HG1 ILE 34 2.506 -5.877 -0.583 238 2HG1 ILE 34 2HG1 ILE 34 1.109 -5.255 -1.469 239 1HG2 ILE 34 1HG2 ILE 34 0.696 -8.669 1.123 240 2HG2 ILE 34 2HG2 ILE 34 2.316 -8.116 0.632 241 3HG2 ILE 34 3HG2 ILE 34 1.347 -7.156 1.743 242 1HD1 ILE 34 1HD1 ILE 34 1.680 -3.719 0.299 243 2HD1 ILE 34 2HD1 ILE 34 0.110 -4.470 0.643 244 3HD1 ILE 34 3HD1 ILE 34 1.564 -4.992 1.520 245 H VAL 35 H VAL 35 2.127 -6.552 -3.100 246 HA VAL 35 HA VAL 35 4.663 -7.840 -2.345 247 HB VAL 35 HB VAL 35 3.668 -7.646 -5.230 248 1HG1 VAL 35 1HG1 VAL 35 5.865 -6.578 -5.333 249 2HG1 VAL 35 2HG1 VAL 35 6.581 -7.869 -4.340 250 3HG1 VAL 35 3HG1 VAL 35 5.997 -8.203 -5.984 251 1HG2 VAL 35 1HG2 VAL 35 3.366 -9.845 -4.148 252 2HG2 VAL 35 2HG2 VAL 35 4.734 -10.001 -5.256 253 3HG2 VAL 35 3HG2 VAL 35 5.035 -9.767 -3.510 254 H VAL 36 H VAL 36 5.930 -6.305 -1.781 255 HA VAL 36 HA VAL 36 5.664 -3.600 -3.079 256 HB VAL 36 HB VAL 36 7.119 -4.470 -0.577 257 1HG1 VAL 36 1HG1 VAL 36 7.109 -1.761 -1.997 258 2HG1 VAL 36 2HG1 VAL 36 7.540 -2.002 -0.306 259 3HG1 VAL 36 3HG1 VAL 36 8.523 -2.758 -1.579 260 1HG2 VAL 36 1HG2 VAL 36 5.621 -2.855 0.496 261 2HG2 VAL 36 2HG2 VAL 36 4.979 -2.375 -1.090 262 3HG2 VAL 36 3HG2 VAL 36 4.607 -3.989 -0.457 263 H SER 37 H SER 37 7.051 -2.698 -4.305 264 HA SER 37 HA SER 37 9.399 -4.158 -5.376 265 1HB SER 37 1HB SER 37 8.068 -1.511 -5.975 266 2HB SER 37 2HB SER 37 9.727 -1.829 -6.478 267 HG SER 37 HG SER 37 8.645 -2.576 -8.142 268 H LEU 38 H LEU 38 10.732 -4.361 -3.475 269 HA LEU 38 HA LEU 38 11.504 -2.367 -1.748 270 1HB LEU 38 1HB LEU 38 12.155 -4.766 -1.604 271 2HB LEU 38 2HB LEU 38 13.437 -4.446 -2.772 272 HG LEU 38 HG LEU 38 14.456 -2.764 -1.293 273 1HD1 LEU 38 1HD1 LEU 38 13.679 -2.575 1.117 274 2HD1 LEU 38 2HD1 LEU 38 12.222 -3.438 0.638 275 3HD1 LEU 38 3HD1 LEU 38 12.594 -1.825 -0.044 276 1HD2 LEU 38 1HD2 LEU 38 13.881 -5.227 0.299 277 2HD2 LEU 38 2HD2 LEU 38 15.208 -4.048 0.519 278 3HD2 LEU 38 3HD2 LEU 38 15.149 -5.057 -0.965 279 H GLU 39 H GLU 39 12.812 -2.895 -4.913 280 HA GLU 39 HA GLU 39 14.986 -1.157 -4.962 281 1HB GLU 39 1HB GLU 39 14.244 -2.768 -6.743 282 2HB GLU 39 2HB GLU 39 12.901 -1.687 -7.130 283 1HG GLU 39 1HG GLU 39 14.716 0.114 -7.558 284 2HG GLU 39 2HG GLU 39 15.874 -1.227 -7.512 285 H ASN 40 H ASN 40 11.561 -0.537 -5.470 286 HA ASN 40 HA ASN 40 11.826 2.318 -6.130 287 1HB ASN 40 1HB ASN 40 9.406 0.489 -6.303 288 2HB ASN 40 2HB ASN 40 9.630 2.049 -7.099 289 1HD2 ASN 40 1HD2 ASN 40 12.343 1.656 -8.014 290 2HD2 ASN 40 2HD2 ASN 40 12.325 0.398 -9.195 291 H ARG 41 H ARG 41 9.417 3.239 -5.606 292 HA ARG 41 HA ARG 41 9.039 3.183 -2.650 293 1HB ARG 41 1HB ARG 41 8.272 5.472 -4.478 294 2HB ARG 41 2HB ARG 41 8.291 5.432 -2.732 295 1HG ARG 41 1HG ARG 41 10.293 6.217 -2.561 296 2HG ARG 41 2HG ARG 41 10.946 4.855 -3.458 297 1HD ARG 41 1HD ARG 41 11.543 6.350 -4.922 298 2HD ARG 41 2HD ARG 41 9.934 6.273 -5.554 299 HE ARG 41 HE ARG 41 9.348 8.344 -4.462 300 1HH1 ARG 41 1HH1 ARG 41 12.734 7.545 -3.901 301 2HH1 ARG 41 2HH1 ARG 41 13.159 9.193 -3.537 302 1HH2 ARG 41 1HH2 ARG 41 9.957 10.508 -3.853 303 2HH2 ARG 41 2HH2 ARG 41 11.615 10.817 -3.542 304 H SER 42 H SER 42 7.726 1.168 -4.410 305 HA SER 42 HA SER 42 4.893 2.041 -4.139 306 1HB SER 42 1HB SER 42 4.559 0.988 -6.463 307 2HB SER 42 2HB SER 42 5.287 2.577 -6.379 308 HG SER 42 HG SER 42 6.548 0.079 -6.874 309 H ALA 43 H ALA 43 3.322 0.511 -4.333 310 HA ALA 43 HA ALA 43 4.040 -2.312 -3.604 311 1HB ALA 43 1HB ALA 43 3.505 -0.801 -1.600 312 2HB ALA 43 2HB ALA 43 1.914 -0.496 -2.316 313 3HB ALA 43 3HB ALA 43 2.364 -2.143 -1.819 314 H ILE 44 H ILE 44 2.814 -3.817 -4.505 315 HA ILE 44 HA ILE 44 0.334 -3.087 -6.033 316 HB ILE 44 HB ILE 44 2.268 -5.405 -6.433 317 1HG1 ILE 44 1HG1 ILE 44 1.517 -3.113 -8.320 318 2HG1 ILE 44 2HG1 ILE 44 2.975 -3.109 -7.332 319 1HG2 ILE 44 1HG2 ILE 44 -0.102 -6.092 -6.753 320 2HG2 ILE 44 2HG2 ILE 44 -0.356 -4.728 -7.864 321 3HG2 ILE 44 3HG2 ILE 44 0.746 -6.059 -8.290 322 1HD1 ILE 44 1HD1 ILE 44 3.733 -5.209 -8.471 323 2HD1 ILE 44 2HD1 ILE 44 2.333 -5.076 -9.566 324 3HD1 ILE 44 3HD1 ILE 44 3.568 -3.810 -9.552 325 H VAL 45 H VAL 45 -1.414 -3.631 -4.919 326 HA VAL 45 HA VAL 45 -1.161 -5.487 -2.566 327 HB VAL 45 HB VAL 45 -2.971 -3.081 -2.831 328 1HG1 VAL 45 1HG1 VAL 45 -2.125 -4.856 -0.474 329 2HG1 VAL 45 2HG1 VAL 45 -3.161 -3.425 -0.335 330 3HG1 VAL 45 3HG1 VAL 45 -3.730 -4.827 -1.237 331 1HG2 VAL 45 1HG2 VAL 45 -0.306 -3.216 -1.369 332 2HG2 VAL 45 2HG2 VAL 45 -0.667 -2.224 -2.791 333 3HG2 VAL 45 3HG2 VAL 45 -1.483 -1.889 -1.270 334 H VAL 46 H VAL 46 -2.706 -7.105 -2.471 335 HA VAL 46 HA VAL 46 -4.684 -7.246 -4.716 336 HB VAL 46 HB VAL 46 -3.096 -9.417 -3.312 337 1HG1 VAL 46 1HG1 VAL 46 -5.296 -10.229 -4.153 338 2HG1 VAL 46 2HG1 VAL 46 -4.814 -9.735 -5.792 339 3HG1 VAL 46 3HG1 VAL 46 -3.891 -10.989 -4.911 340 1HG2 VAL 46 1HG2 VAL 46 -2.630 -8.251 -6.071 341 2HG2 VAL 46 2HG2 VAL 46 -1.544 -8.176 -4.671 342 3HG2 VAL 46 3HG2 VAL 46 -1.871 -9.727 -5.441 343 H TYR 47 H TYR 47 -6.670 -6.834 -3.768 344 HA TYR 47 HA TYR 47 -7.131 -7.811 -0.982 345 1HB TYR 47 1HB TYR 47 -8.237 -5.777 -0.408 346 2HB TYR 47 2HB TYR 47 -6.642 -5.386 -1.020 347 HD1 TYR 47 HD1 TYR 47 -10.240 -4.982 -1.500 348 HD2 TYR 47 HD2 TYR 47 -6.400 -4.480 -3.385 349 HE1 TYR 47 HE1 TYR 47 -11.249 -3.443 -3.175 350 HE2 TYR 47 HE2 TYR 47 -7.401 -2.877 -4.996 351 HH TYR 47 HH TYR 47 -10.872 -2.014 -4.913 352 H ASN 48 H ASN 48 -9.198 -8.512 -0.378 353 HA ASN 48 HA ASN 48 -10.898 -9.278 -2.660 354 1HB ASN 48 1HB ASN 48 -10.117 -10.877 -0.811 355 2HB ASN 48 2HB ASN 48 -11.279 -10.064 0.249 356 1HD2 ASN 48 1HD2 ASN 48 -10.891 -12.649 -1.907 357 2HD2 ASN 48 2HD2 ASN 48 -12.492 -12.695 -2.592 358 H ALA 49 H ALA 49 -12.785 -8.294 -3.126 359 HA ALA 49 HA ALA 49 -14.531 -7.024 -1.252 360 1HB ALA 49 1HB ALA 49 -12.731 -5.224 -2.919 361 2HB ALA 49 2HB ALA 49 -14.231 -4.675 -2.136 362 3HB ALA 49 3HB ALA 49 -12.877 -5.229 -1.148 363 H SER 50 H SER 50 -16.524 -7.240 -2.188 364 HA SER 50 HA SER 50 -16.798 -7.421 -5.113 365 1HB SER 50 1HB SER 50 -18.179 -8.765 -3.479 366 2HB SER 50 2HB SER 50 -19.029 -7.260 -3.064 367 HG SER 50 HG SER 50 -19.365 -7.086 -5.440 368 H SER 51 H SER 51 -16.666 -4.823 -2.944 369 HA SER 51 HA SER 51 -16.558 -2.859 -4.875 370 1HB SER 51 1HB SER 51 -19.348 -3.066 -3.760 371 2HB SER 51 2HB SER 51 -18.649 -1.488 -4.174 372 HG SER 51 HG SER 51 -18.783 -3.737 -5.889 373 H VAL 52 H VAL 52 -14.957 -1.836 -3.816 374 HA VAL 52 HA VAL 52 -15.596 -0.117 -1.630 375 HB VAL 52 HB VAL 52 -13.798 -0.548 -0.128 376 1HG1 VAL 52 1HG1 VAL 52 -14.386 -2.615 0.986 377 2HG1 VAL 52 2HG1 VAL 52 -15.846 -1.808 0.400 378 3HG1 VAL 52 3HG1 VAL 52 -15.195 -3.225 -0.467 379 1HG2 VAL 52 1HG2 VAL 52 -12.954 -2.768 -1.982 380 2HG2 VAL 52 2HG2 VAL 52 -12.018 -1.362 -1.460 381 3HG2 VAL 52 3HG2 VAL 52 -12.366 -2.651 -0.306 382 H THR 53 H THR 53 -13.989 1.576 -1.472 383 HA THR 53 HA THR 53 -12.834 2.195 -4.032 384 HB THR 53 HB THR 53 -12.717 3.737 -1.408 385 HG1 THR 53 HG1 THR 53 -14.615 4.698 -2.316 386 1HG2 THR 53 1HG2 THR 53 -12.518 5.715 -2.798 387 2HG2 THR 53 2HG2 THR 53 -12.657 4.751 -4.291 388 3HG2 THR 53 3HG2 THR 53 -11.223 4.609 -3.255 389 HA PRO 54 HA PRO 54 -8.600 0.712 -3.085 390 1HB PRO 54 1HB PRO 54 -7.187 2.155 -4.928 391 2HB PRO 54 2HB PRO 54 -8.157 0.706 -5.320 392 1HG PRO 54 1HG PRO 54 -8.994 3.616 -5.565 393 2HG PRO 54 2HG PRO 54 -9.144 2.312 -6.791 394 1HD PRO 54 1HD PRO 54 -11.235 2.987 -5.230 395 2HD PRO 54 2HD PRO 54 -10.902 1.263 -5.572 396 H GLU 55 H GLU 55 -9.555 4.123 -3.029 397 HA GLU 55 HA GLU 55 -7.545 5.395 -1.659 398 1HB GLU 55 1HB GLU 55 -9.682 6.409 -2.363 399 2HB GLU 55 2HB GLU 55 -10.546 5.419 -1.188 400 1HG GLU 55 1HG GLU 55 -10.500 7.641 -0.393 401 2HG GLU 55 2HG GLU 55 -9.515 6.663 0.676 402 H SER 56 H SER 56 -9.451 2.675 -0.430 403 HA SER 56 HA SER 56 -9.055 3.256 2.382 404 1HB SER 56 1HB SER 56 -9.775 0.908 2.698 405 2HB SER 56 2HB SER 56 -10.929 1.860 1.745 406 HG SER 56 HG SER 56 -10.334 0.774 -0.084 407 H LEU 57 H LEU 57 -7.420 1.127 0.005 408 HA LEU 57 HA LEU 57 -5.324 0.287 1.851 409 1HB LEU 57 1HB LEU 57 -5.331 0.435 -1.166 410 2HB LEU 57 2HB LEU 57 -4.152 -0.415 -0.180 411 HG LEU 57 HG LEU 57 -7.098 -1.115 -0.580 412 1HD1 LEU 57 1HD1 LEU 57 -4.457 -2.033 -1.690 413 2HD1 LEU 57 2HD1 LEU 57 -6.002 -1.813 -2.513 414 3HD1 LEU 57 3HD1 LEU 57 -5.717 -3.251 -1.485 415 1HD2 LEU 57 1HD2 LEU 57 -6.698 -3.211 0.625 416 2HD2 LEU 57 2HD2 LEU 57 -6.421 -1.821 1.693 417 3HD2 LEU 57 3HD2 LEU 57 -5.042 -2.731 1.026 418 H ARG 58 H ARG 58 -5.566 2.910 -0.632 419 HA ARG 58 HA ARG 58 -3.009 4.010 -0.411 420 1HB ARG 58 1HB ARG 58 -4.910 4.663 -1.935 421 2HB ARG 58 2HB ARG 58 -5.577 5.627 -0.682 422 1HG ARG 58 1HG ARG 58 -2.727 5.979 -1.607 423 2HG ARG 58 2HG ARG 58 -4.035 6.678 -2.526 424 1HD ARG 58 1HD ARG 58 -3.536 7.383 0.400 425 2HD ARG 58 2HD ARG 58 -2.821 8.244 -0.959 426 HE ARG 58 HE ARG 58 -5.753 7.997 -0.975 427 1HH1 ARG 58 1HH1 ARG 58 -3.097 10.242 -0.173 428 2HH1 ARG 58 2HH1 ARG 58 -4.055 11.609 -0.647 429 1HH2 ARG 58 1HH2 ARG 58 -6.938 9.707 -1.107 430 2HH2 ARG 58 2HH2 ARG 58 -6.247 11.327 -1.214 431 H LYS 59 H LYS 59 -5.864 4.803 1.659 432 HA LYS 59 HA LYS 59 -4.329 6.311 3.562 433 1HB LYS 59 1HB LYS 59 -7.138 5.371 3.218 434 2HB LYS 59 2HB LYS 59 -6.614 5.598 4.868 435 1HG LYS 59 1HG LYS 59 -7.627 7.632 3.851 436 2HG LYS 59 2HG LYS 59 -6.009 7.860 4.529 437 1HD LYS 59 1HD LYS 59 -5.073 7.721 2.177 438 2HD LYS 59 2HD LYS 59 -6.720 7.677 1.571 439 1HE LYS 59 1HE LYS 59 -5.541 9.857 3.373 440 2HE LYS 59 2HE LYS 59 -5.459 9.911 1.625 441 1HZ LYS 59 1HZ LYS 59 -7.994 9.821 3.142 442 2HZ LYS 59 2HZ LYS 59 -7.852 9.865 1.510 443 3HZ LYS 59 3HZ LYS 59 -7.358 11.156 2.401 444 H ALA 60 H ALA 60 -4.802 2.764 3.443 445 HA ALA 60 HA ALA 60 -3.773 2.447 6.151 446 1HB ALA 60 1HB ALA 60 -4.968 0.648 4.911 447 2HB ALA 60 2HB ALA 60 -3.602 0.544 3.772 448 3HB ALA 60 3HB ALA 60 -3.362 0.150 5.487 449 H ILE 61 H ILE 61 -2.255 2.730 2.913 450 HA ILE 61 HA ILE 61 0.424 2.563 3.898 451 HB ILE 61 HB ILE 61 -0.449 4.067 1.389 452 1HG1 ILE 61 1HG1 ILE 61 0.393 1.148 1.532 453 2HG1 ILE 61 2HG1 ILE 61 -1.270 1.668 1.427 454 1HG2 ILE 61 1HG2 ILE 61 1.853 4.515 1.982 455 2HG2 ILE 61 2HG2 ILE 61 2.175 2.801 2.305 456 3HG2 ILE 61 3HG2 ILE 61 1.904 3.395 0.657 457 1HD1 ILE 61 1HD1 ILE 61 -0.529 1.040 -0.756 458 2HD1 ILE 61 2HD1 ILE 61 -0.856 2.782 -0.716 459 3HD1 ILE 61 3HD1 ILE 61 0.818 2.188 -0.705 460 H GLU 62 H GLU 62 -1.428 5.584 3.042 461 HA GLU 62 HA GLU 62 0.423 7.376 4.180 462 1HB GLU 62 1HB GLU 62 -2.588 7.569 3.778 463 2HB GLU 62 2HB GLU 62 -1.603 8.899 4.402 464 1HG GLU 62 1HG GLU 62 -0.138 8.788 2.448 465 2HG GLU 62 2HG GLU 62 -1.138 7.473 1.785 466 H ALA 63 H ALA 63 -1.684 5.177 5.937 467 HA ALA 63 HA ALA 63 -1.311 6.725 8.418 468 1HB ALA 63 1HB ALA 63 -2.777 5.000 9.414 469 2HB ALA 63 2HB ALA 63 -3.514 5.709 7.967 470 3HB ALA 63 3HB ALA 63 -2.754 4.097 7.883 471 H VAL 64 H VAL 64 0.726 4.811 6.798 472 HA VAL 64 HA VAL 64 1.777 3.403 9.189 473 HB VAL 64 HB VAL 64 1.723 2.403 6.712 474 1HG1 VAL 64 1HG1 VAL 64 3.146 4.118 5.742 475 2HG1 VAL 64 2HG1 VAL 64 4.522 3.443 6.629 476 3HG1 VAL 64 3HG1 VAL 64 3.617 2.414 5.486 477 1HG2 VAL 64 1HG2 VAL 64 2.669 1.400 8.934 478 2HG2 VAL 64 2HG2 VAL 64 3.554 0.894 7.475 479 3HG2 VAL 64 3HG2 VAL 64 4.204 2.185 8.527 480 H SER 65 H SER 65 2.590 6.077 7.006 481 HA SER 65 HA SER 65 4.117 7.209 9.222 482 1HB SER 65 1HB SER 65 5.587 7.455 6.660 483 2HB SER 65 2HB SER 65 6.067 7.467 8.354 484 HG SER 65 HG SER 65 5.407 5.125 8.214 485 HA PRO 66 HA PRO 66 1.104 9.986 7.062 486 1HB PRO 66 1HB PRO 66 0.060 11.020 9.475 487 2HB PRO 66 2HB PRO 66 -0.634 9.706 8.485 488 1HG PRO 66 1HG PRO 66 1.172 9.486 10.902 489 2HG PRO 66 2HG PRO 66 -0.281 8.510 10.498 490 1HD PRO 66 1HD PRO 66 2.145 7.469 10.012 491 2HD PRO 66 2HD PRO 66 0.915 7.332 8.780 492 H GLY 67 H GLY 67 1.416 12.051 6.572 493 1HA GLY 67 1HA GLY 67 2.293 14.231 6.617 494 2HA GLY 67 2HA GLY 67 3.170 13.854 8.126 495 H LEU 68 H LEU 68 4.412 11.423 7.084 496 HA LEU 68 HA LEU 68 6.602 12.567 5.456 497 1HB LEU 68 1HB LEU 68 7.073 11.037 7.329 498 2HB LEU 68 2HB LEU 68 6.123 9.780 6.554 499 HG LEU 68 HG LEU 68 7.704 9.794 4.609 500 1HD1 LEU 68 1HD1 LEU 68 8.655 12.041 4.778 501 2HD1 LEU 68 2HD1 LEU 68 9.947 10.855 4.992 502 3HD1 LEU 68 3HD1 LEU 68 9.280 11.687 6.410 503 1HD2 LEU 68 1HD2 LEU 68 7.880 8.175 6.450 504 2HD2 LEU 68 2HD2 LEU 68 8.908 9.308 7.356 505 3HD2 LEU 68 3HD2 LEU 68 9.477 8.610 5.823 506 H TYR 69 H TYR 69 4.048 10.099 5.153 507 HA TYR 69 HA TYR 69 4.725 9.386 2.434 508 1HB TYR 69 1HB TYR 69 2.619 8.568 4.445 509 2HB TYR 69 2HB TYR 69 2.519 8.074 2.765 510 HD1 TYR 69 HD1 TYR 69 5.910 8.325 4.309 511 HD2 TYR 69 HD2 TYR 69 2.564 5.782 3.418 512 HE1 TYR 69 HE1 TYR 69 7.279 6.352 4.762 513 HE2 TYR 69 HE2 TYR 69 3.958 3.825 3.563 514 HH TYR 69 HH TYR 69 7.339 4.086 4.812 515 H ARG 70 H ARG 70 4.130 10.387 0.689 516 HA ARG 70 HA ARG 70 1.401 11.626 0.383 517 1HB ARG 70 1HB ARG 70 4.082 11.878 -1.050 518 2HB ARG 70 2HB ARG 70 2.611 12.393 -1.774 519 1HG ARG 70 1HG ARG 70 3.343 14.396 -0.848 520 2HG ARG 70 2HG ARG 70 2.322 13.817 0.459 521 1HD ARG 70 1HD ARG 70 4.294 14.557 1.515 522 2HD ARG 70 2HD ARG 70 4.445 12.803 1.503 523 HE ARG 70 HE ARG 70 5.733 13.794 -0.837 524 1HH1 ARG 70 1HH1 ARG 70 6.377 13.446 2.595 525 2HH1 ARG 70 2HH1 ARG 70 7.976 14.113 2.468 526 1HH2 ARG 70 1HH2 ARG 70 7.891 14.197 -0.994 527 2HH2 ARG 70 2HH2 ARG 70 8.864 14.446 0.431 528 H VAL 71 H VAL 71 0.033 9.862 -0.352 529 HA VAL 71 HA VAL 71 1.427 7.932 -2.200 530 HB VAL 71 HB VAL 71 -0.979 7.310 -0.509 531 1HG1 VAL 71 1HG1 VAL 71 -0.676 5.858 -2.533 532 2HG1 VAL 71 2HG1 VAL 71 0.996 5.544 -2.041 533 3HG1 VAL 71 3HG1 VAL 71 -0.354 4.990 -1.030 534 1HG2 VAL 71 1HG2 VAL 71 1.980 6.783 -0.093 535 2HG2 VAL 71 2HG2 VAL 71 1.020 7.824 0.902 536 3HG2 VAL 71 3HG2 VAL 71 0.671 6.096 0.899 537 H SER 72 H SER 72 0.737 7.458 -4.173 538 HA SER 72 HA SER 72 -1.973 8.430 -4.999 539 1HB SER 72 1HB SER 72 -1.152 9.073 -7.195 540 2HB SER 72 2HB SER 72 -0.452 10.050 -5.907 541 HG SER 72 HG SER 72 1.440 8.646 -6.093 542 H ILE 73 H ILE 73 -2.940 7.284 -6.728 543 HA ILE 73 HA ILE 73 -2.190 4.404 -6.865 544 HB ILE 73 HB ILE 73 -4.714 5.938 -7.664 545 1HG1 ILE 73 1HG1 ILE 73 -4.376 3.913 -5.439 546 2HG1 ILE 73 2HG1 ILE 73 -4.265 5.646 -5.157 547 1HG2 ILE 73 1HG2 ILE 73 -4.378 3.963 -9.141 548 2HG2 ILE 73 2HG2 ILE 73 -4.235 2.919 -7.710 549 3HG2 ILE 73 3HG2 ILE 73 -5.762 3.737 -8.094 550 1HD1 ILE 73 1HD1 ILE 73 -6.472 4.891 -4.547 551 2HD1 ILE 73 2HD1 ILE 73 -6.583 5.951 -5.967 552 3HD1 ILE 73 3HD1 ILE 73 -6.734 4.190 -6.151 553 H THR 74 H THR 74 -1.033 3.700 -8.427 554 HA THR 74 HA THR 74 -0.641 5.302 -10.820 555 HB THR 74 HB THR 74 0.482 2.522 -10.675 556 HG1 THR 74 HG1 THR 74 1.211 4.591 -8.886 557 1HG2 THR 74 1HG2 THR 74 1.635 5.326 -10.996 558 2HG2 THR 74 2HG2 THR 74 1.168 4.247 -12.333 559 3HG2 THR 74 3HG2 THR 74 2.520 3.796 -11.262 560 H SER 75 H SER 75 -2.408 5.388 -12.188 561 HA SER 75 HA SER 75 -2.986 3.055 -13.847 562 1HB SER 75 1HB SER 75 -5.120 4.346 -12.090 563 2HB SER 75 2HB SER 75 -5.442 3.272 -13.454 564 HG SER 75 HG SER 75 -3.632 2.267 -11.625 565 H GLU 76 H GLU 76 -4.288 3.752 -15.717 566 HA GLU 76 HA GLU 76 -4.004 6.529 -16.471 567 1HB GLU 76 1HB GLU 76 -5.004 5.748 -18.519 568 2HB GLU 76 2HB GLU 76 -3.469 4.997 -18.141 569 1HG GLU 76 1HG GLU 76 -6.077 3.691 -17.469 570 2HG GLU 76 2HG GLU 76 -5.430 3.571 -19.109 571 H VAL 77 H VAL 77 -5.290 7.972 -15.824 572 HA VAL 77 HA VAL 77 -8.137 7.293 -15.040 573 HB VAL 77 HB VAL 77 -8.015 9.092 -13.403 574 1HG1 VAL 77 1HG1 VAL 77 -6.618 7.970 -11.754 575 2HG1 VAL 77 2HG1 VAL 77 -7.428 6.753 -12.754 576 3HG1 VAL 77 3HG1 VAL 77 -5.706 7.116 -13.008 577 1HG2 VAL 77 1HG2 VAL 77 -6.298 10.565 -14.422 578 2HG2 VAL 77 2HG2 VAL 77 -5.914 10.157 -12.746 579 3HG2 VAL 77 3HG2 VAL 77 -5.050 9.348 -14.064 Start of MODEL 7 1 1H ASN 1 1HT ASN 1 -12.631 -13.111 -9.913 2 HA ASN 1 HA ASN 1 -11.155 -14.318 -7.691 3 1HB ASN 1 1HB ASN 1 -10.387 -14.088 -10.115 4 2HB ASN 1 2HB ASN 1 -10.224 -12.353 -9.830 5 1HD2 ASN 1 1HD2 ASN 1 -8.482 -11.642 -8.292 6 2HD2 ASN 1 2HD2 ASN 1 -7.179 -12.771 -7.966 7 H ASP 2 H ASP 2 -9.770 -13.079 -6.214 8 HA ASP 2 HA ASP 2 -10.700 -10.791 -4.930 9 1HB ASP 2 1HB ASP 2 -7.817 -11.672 -5.341 10 2HB ASP 2 2HB ASP 2 -8.441 -10.630 -4.061 11 H SER 3 H SER 3 -9.812 -8.595 -4.895 12 HA SER 3 HA SER 3 -9.330 -7.515 -7.620 13 1HB SER 3 1HB SER 3 -11.190 -6.643 -6.220 14 2HB SER 3 2HB SER 3 -10.012 -6.084 -5.025 15 HG SER 3 HG SER 3 -10.664 -4.452 -6.487 16 H THR 4 H THR 4 -7.950 -5.370 -7.362 17 HA THR 4 HA THR 4 -5.531 -5.612 -5.788 18 HB THR 4 HB THR 4 -5.527 -6.627 -8.631 19 HG1 THR 4 HG1 THR 4 -5.560 -7.794 -6.492 20 1HG2 THR 4 1HG2 THR 4 -3.700 -4.971 -8.694 21 2HG2 THR 4 2HG2 THR 4 -3.038 -6.605 -8.577 22 3HG2 THR 4 3HG2 THR 4 -3.080 -5.575 -7.133 23 H ALA 5 H ALA 5 -4.229 -3.834 -5.894 24 HA ALA 5 HA ALA 5 -4.652 -1.784 -7.932 25 1HB ALA 5 1HB ALA 5 -5.061 0.010 -6.176 26 2HB ALA 5 2HB ALA 5 -6.406 -1.143 -6.381 27 3HB ALA 5 3HB ALA 5 -5.300 -1.296 -5.001 28 H THR 6 H THR 6 -3.143 -0.057 -7.823 29 HA THR 6 HA THR 6 -0.531 -0.773 -6.577 30 HB THR 6 HB THR 6 -1.001 0.793 -9.123 31 HG1 THR 6 HG1 THR 6 -0.365 -1.113 -10.138 32 1HG2 THR 6 1HG2 THR 6 1.472 -0.407 -7.821 33 2HG2 THR 6 2HG2 THR 6 1.127 1.315 -8.106 34 3HG2 THR 6 3HG2 THR 6 1.432 0.243 -9.483 35 H PHE 7 H PHE 7 0.515 0.692 -5.527 36 HA PHE 7 HA PHE 7 -0.433 3.488 -5.411 37 1HB PHE 7 1HB PHE 7 0.268 1.988 -2.879 38 2HB PHE 7 2HB PHE 7 -0.466 3.568 -3.073 39 HD1 PHE 7 HD1 PHE 7 -1.293 -0.130 -3.515 40 HD2 PHE 7 HD2 PHE 7 -2.801 3.919 -3.295 41 HE1 PHE 7 HE1 PHE 7 -3.540 -0.969 -3.641 42 HE2 PHE 7 HE2 PHE 7 -5.112 3.017 -3.372 43 HZ PHE 7 HZ PHE 7 -5.494 0.589 -3.571 44 H ILE 8 H ILE 8 1.166 4.996 -5.025 45 HA ILE 8 HA ILE 8 3.954 4.054 -4.636 46 HB ILE 8 HB ILE 8 3.306 4.353 -7.055 47 1HG1 ILE 8 1HG1 ILE 8 5.373 6.446 -6.216 48 2HG1 ILE 8 2HG1 ILE 8 5.615 4.736 -5.896 49 1HG2 ILE 8 1HG2 ILE 8 3.075 7.311 -6.450 50 2HG2 ILE 8 2HG2 ILE 8 3.051 6.550 -8.050 51 3HG2 ILE 8 3HG2 ILE 8 1.751 6.210 -6.905 52 1HD1 ILE 8 1HD1 ILE 8 5.226 5.872 -8.670 53 2HD1 ILE 8 2HD1 ILE 8 6.755 5.327 -7.945 54 3HD1 ILE 8 3HD1 ILE 8 5.457 4.153 -8.242 55 H ILE 9 H ILE 9 5.227 5.203 -3.377 56 HA ILE 9 HA ILE 9 3.926 7.472 -1.961 57 HB ILE 9 HB ILE 9 5.983 5.566 -0.815 58 1HG1 ILE 9 1HG1 ILE 9 4.467 4.354 0.467 59 2HG1 ILE 9 2HG1 ILE 9 3.067 5.158 -0.126 60 1HG2 ILE 9 1HG2 ILE 9 5.746 7.767 0.268 61 2HG2 ILE 9 2HG2 ILE 9 4.001 7.533 0.405 62 3HG2 ILE 9 3HG2 ILE 9 5.120 6.505 1.326 63 1HD1 ILE 9 1HD1 ILE 9 3.347 3.830 -2.208 64 2HD1 ILE 9 2HD1 ILE 9 4.990 3.346 -1.651 65 3HD1 ILE 9 3HD1 ILE 9 3.558 2.782 -0.796 66 H ASP 10 H ASP 10 4.884 9.300 -2.550 67 HA ASP 10 HA ASP 10 7.845 9.499 -2.785 68 1HB ASP 10 1HB ASP 10 5.498 11.151 -3.466 69 2HB ASP 10 2HB ASP 10 6.755 12.060 -2.723 70 H GLY 11 H GLY 11 8.498 8.902 -0.782 71 1HA GLY 11 1HA GLY 11 9.022 10.664 1.321 72 2HA GLY 11 2HA GLY 11 7.426 10.080 1.694 73 H MET 12 H MET 12 7.904 7.372 0.634 74 HA MET 12 HA MET 12 8.623 6.212 3.104 75 1HB MET 12 1HB MET 12 7.978 4.175 2.121 76 2HB MET 12 2HB MET 12 7.138 5.317 1.233 77 1HG MET 12 1HG MET 12 8.925 5.256 -0.527 78 2HG MET 12 2HG MET 12 9.675 3.930 0.315 79 1HE MET 12 1HE MET 12 7.860 0.895 -1.006 80 2HE MET 12 2HE MET 12 9.423 1.685 -0.766 81 3HE MET 12 3HE MET 12 8.323 1.407 0.626 82 H HIS 13 H HIS 13 10.487 5.811 4.022 83 HA HIS 13 HA HIS 13 12.907 6.709 3.221 84 1HB HIS 13 1HB HIS 13 12.512 4.556 5.295 85 2HB HIS 13 2HB HIS 13 13.809 5.741 5.240 86 HD1 HIS 13 HD1 HIS 13 13.286 8.061 6.449 87 HD2 HIS 13 HD2 HIS 13 9.991 5.513 5.870 88 HE1 HIS 13 HE1 HIS 13 11.345 9.059 7.776 89 H CYS 14 H CYS 14 12.356 5.002 1.111 90 HA CYS 14 HA CYS 14 13.484 4.027 -0.547 91 1HB CYS 14 1HB CYS 14 15.804 4.539 1.329 92 2HB CYS 14 2HB CYS 14 16.027 3.871 -0.291 93 HG CYS 14 HG CYS 14 14.329 6.630 0.467 94 H LYS 15 H LYS 15 14.486 2.448 2.490 95 HA LYS 15 HA LYS 15 14.131 -0.209 1.109 96 1HB LYS 15 1HB LYS 15 16.433 0.743 2.904 97 2HB LYS 15 2HB LYS 15 16.209 -0.934 2.409 98 1HG LYS 15 1HG LYS 15 16.626 1.381 0.443 99 2HG LYS 15 2HG LYS 15 17.925 0.369 1.056 100 1HD LYS 15 1HD LYS 15 17.245 -1.523 -0.076 101 2HD LYS 15 2HD LYS 15 15.579 -1.036 -0.107 102 1HE LYS 15 1HE LYS 15 17.740 -0.125 -2.022 103 2HE LYS 15 2HE LYS 15 16.313 -1.145 -2.321 104 1HZ LYS 15 1HZ LYS 15 15.513 0.750 -3.088 105 2HZ LYS 15 2HZ LYS 15 16.360 1.748 -2.060 106 3HZ LYS 15 3HZ LYS 15 15.012 0.908 -1.587 107 H SER 16 H SER 16 14.789 0.786 4.532 108 HA SER 16 HA SER 16 13.176 -1.213 5.679 109 1HB SER 16 1HB SER 16 13.450 1.532 6.917 110 2HB SER 16 2HB SER 16 13.477 -0.065 7.688 111 HG SER 16 HG SER 16 15.602 0.727 7.574 112 H CYS 17 H CYS 17 11.936 1.642 3.988 113 HA CYS 17 HA CYS 17 9.372 1.886 5.161 114 1HB CYS 17 1HB CYS 17 8.806 2.410 2.711 115 2HB CYS 17 2HB CYS 17 10.017 3.447 3.447 116 HG CYS 17 HG CYS 17 10.225 1.126 1.125 117 H VAL 18 H VAL 18 10.679 -0.454 2.738 118 HA VAL 18 HA VAL 18 8.164 -1.340 1.866 119 HB VAL 18 HB VAL 18 11.029 -2.215 1.715 120 1HG1 VAL 18 1HG1 VAL 18 10.326 -4.136 0.119 121 2HG1 VAL 18 2HG1 VAL 18 10.447 -4.410 1.867 122 3HG1 VAL 18 3HG1 VAL 18 8.873 -4.172 1.128 123 1HG2 VAL 18 1HG2 VAL 18 8.869 -1.394 -0.220 124 2HG2 VAL 18 2HG2 VAL 18 10.371 -0.557 0.226 125 3HG2 VAL 18 3HG2 VAL 18 10.431 -2.028 -0.751 126 H SER 19 H SER 19 10.226 -2.615 4.438 127 HA SER 19 HA SER 19 8.630 -4.941 5.005 128 1HB SER 19 1HB SER 19 10.971 -4.755 5.612 129 2HB SER 19 2HB SER 19 10.683 -3.326 6.599 130 HG SER 19 HG SER 19 9.543 -5.891 7.139 131 H ASN 20 H ASN 20 8.386 -1.585 6.263 132 HA ASN 20 HA ASN 20 6.275 -2.185 8.185 133 1HB ASN 20 1HB ASN 20 6.738 0.363 6.620 134 2HB ASN 20 2HB ASN 20 5.674 0.177 7.975 135 1HD2 ASN 20 1HD2 ASN 20 9.111 0.280 7.070 136 2HD2 ASN 20 2HD2 ASN 20 9.516 0.907 8.657 137 H ILE 21 H ILE 21 6.350 -1.175 4.729 138 HA ILE 21 HA ILE 21 3.491 -0.826 4.637 139 HB ILE 21 HB ILE 21 5.021 -1.322 2.086 140 1HG1 ILE 21 1HG1 ILE 21 5.645 0.890 4.008 141 2HG1 ILE 21 2HG1 ILE 21 6.561 0.135 2.721 142 1HG2 ILE 21 1HG2 ILE 21 3.353 0.320 1.247 143 2HG2 ILE 21 2HG2 ILE 21 2.578 -1.036 2.046 144 3HG2 ILE 21 3HG2 ILE 21 2.721 0.503 2.908 145 1HD1 ILE 21 1HD1 ILE 21 5.490 1.435 0.995 146 2HD1 ILE 21 2HD1 ILE 21 4.491 2.261 2.214 147 3HD1 ILE 21 3HD1 ILE 21 6.248 2.461 2.226 148 H GLU 22 H GLU 22 5.524 -3.615 3.748 149 HA GLU 22 HA GLU 22 3.543 -5.446 2.873 150 1HB GLU 22 1HB GLU 22 6.127 -5.644 4.456 151 2HB GLU 22 2HB GLU 22 5.170 -7.079 4.173 152 1HG GLU 22 1HG GLU 22 5.431 -6.949 1.786 153 2HG GLU 22 2HG GLU 22 6.019 -5.307 1.885 154 H SER 23 H SER 23 4.654 -4.683 6.188 155 HA SER 23 HA SER 23 2.892 -6.526 7.443 156 1HB SER 23 1HB SER 23 4.348 -4.082 8.602 157 2HB SER 23 2HB SER 23 3.713 -5.450 9.537 158 HG SER 23 HG SER 23 5.949 -5.339 7.797 159 H THR 24 H THR 24 2.548 -2.968 7.275 160 HA THR 24 HA THR 24 0.157 -2.941 8.887 161 HB THR 24 HB THR 24 1.458 -0.864 7.016 162 HG1 THR 24 HG1 THR 24 1.223 -0.997 9.829 163 1HG2 THR 24 1HG2 THR 24 -0.901 -0.218 7.249 164 2HG2 THR 24 2HG2 THR 24 0.107 0.817 8.264 165 3HG2 THR 24 3HG2 THR 24 -0.845 -0.495 9.001 166 H LEU 25 H LEU 25 0.718 -3.106 5.421 167 HA LEU 25 HA LEU 25 -2.134 -2.968 4.800 168 1HB LEU 25 1HB LEU 25 0.324 -3.719 3.205 169 2HB LEU 25 2HB LEU 25 -1.283 -3.820 2.540 170 HG LEU 25 HG LEU 25 0.203 -1.720 2.061 171 1HD1 LEU 25 1HD1 LEU 25 -1.858 -0.378 1.780 172 2HD1 LEU 25 2HD1 LEU 25 -2.738 -1.537 2.782 173 3HD1 LEU 25 3HD1 LEU 25 -2.040 -2.046 1.236 174 1HD2 LEU 25 1HD2 LEU 25 -0.242 0.228 3.517 175 2HD2 LEU 25 2HD2 LEU 25 0.678 -0.993 4.382 176 3HD2 LEU 25 3HD2 LEU 25 -1.068 -0.787 4.678 177 H SER 26 H SER 26 0.286 -5.753 5.007 178 HA SER 26 HA SER 26 -1.805 -7.598 4.173 179 1HB SER 26 1HB SER 26 0.606 -7.984 3.760 180 2HB SER 26 2HB SER 26 0.880 -8.185 5.483 181 HG SER 26 HG SER 26 -0.724 -9.882 5.379 182 H ALA 27 H ALA 27 -2.176 -5.928 6.697 183 HA ALA 27 HA ALA 27 -3.050 -8.103 8.568 184 1HB ALA 27 1HB ALA 27 -2.297 -5.192 9.146 185 2HB ALA 27 2HB ALA 27 -2.854 -6.382 10.345 186 3HB ALA 27 3HB ALA 27 -1.301 -6.613 9.518 187 H LEU 28 H LEU 28 -4.219 -5.945 6.187 188 HA LEU 28 HA LEU 28 -6.373 -4.802 7.709 189 1HB LEU 28 1HB LEU 28 -5.940 -5.009 4.709 190 2HB LEU 28 2HB LEU 28 -7.203 -4.059 5.472 191 HG LEU 28 HG LEU 28 -4.281 -3.583 6.168 192 1HD1 LEU 28 1HD1 LEU 28 -4.089 -1.955 4.464 193 2HD1 LEU 28 2HD1 LEU 28 -5.772 -2.108 3.971 194 3HD1 LEU 28 3HD1 LEU 28 -4.617 -3.430 3.652 195 1HD2 LEU 28 1HD2 LEU 28 -6.752 -1.811 6.200 196 2HD2 LEU 28 2HD2 LEU 28 -5.100 -1.344 6.700 197 3HD2 LEU 28 3HD2 LEU 28 -5.992 -2.562 7.625 198 H GLN 29 H GLN 29 -8.432 -5.469 7.976 199 HA GLN 29 HA GLN 29 -8.906 -8.274 7.912 200 1HB GLN 29 1HB GLN 29 -10.883 -6.017 8.426 201 2HB GLN 29 2HB GLN 29 -11.046 -7.692 8.945 202 1HG GLN 29 1HG GLN 29 -8.897 -5.742 9.936 203 2HG GLN 29 2HG GLN 29 -10.363 -6.191 10.788 204 1HE2 GLN 29 1HE2 GLN 29 -7.044 -7.373 9.912 205 2HE2 GLN 29 2HE2 GLN 29 -7.238 -8.772 10.944 206 H TYR 30 H TYR 30 -9.116 -6.325 5.269 207 HA TYR 30 HA TYR 30 -10.991 -8.193 3.885 208 1HB TYR 30 1HB TYR 30 -11.160 -6.238 2.210 209 2HB TYR 30 2HB TYR 30 -12.043 -6.160 3.722 210 HD1 TYR 30 HD1 TYR 30 -8.435 -5.177 2.799 211 HD2 TYR 30 HD2 TYR 30 -12.251 -4.016 4.485 212 HE1 TYR 30 HE1 TYR 30 -7.599 -2.924 3.181 213 HE2 TYR 30 HE2 TYR 30 -11.351 -1.747 4.937 214 HH TYR 30 HH TYR 30 -8.047 -0.792 3.953 215 H VAL 31 H VAL 31 -7.619 -7.660 4.124 216 HA VAL 31 HA VAL 31 -7.299 -7.667 1.158 217 HB VAL 31 HB VAL 31 -6.057 -5.906 2.404 218 1HG1 VAL 31 1HG1 VAL 31 -5.382 -7.100 4.290 219 2HG1 VAL 31 2HG1 VAL 31 -4.266 -8.107 3.299 220 3HG1 VAL 31 3HG1 VAL 31 -4.089 -6.329 3.353 221 1HG2 VAL 31 1HG2 VAL 31 -3.925 -6.162 1.162 222 2HG2 VAL 31 2HG2 VAL 31 -4.243 -7.865 0.894 223 3HG2 VAL 31 3HG2 VAL 31 -5.267 -6.626 0.112 224 H SER 32 H SER 32 -6.495 -9.359 0.018 225 HA SER 32 HA SER 32 -6.177 -11.929 1.443 226 1HB SER 32 1HB SER 32 -6.496 -11.118 -1.472 227 2HB SER 32 2HB SER 32 -6.181 -12.783 -0.959 228 HG SER 32 HG SER 32 -8.417 -12.290 -1.206 229 H SER 33 H SER 33 -4.122 -9.575 -0.206 230 HA SER 33 HA SER 33 -1.628 -10.864 0.421 231 1HB SER 33 1HB SER 33 -2.911 -11.407 -2.221 232 2HB SER 33 2HB SER 33 -1.180 -11.218 -2.196 233 HG SER 33 HG SER 33 -2.597 -12.923 -0.420 234 H ILE 34 H ILE 34 0.142 -9.945 -1.025 235 HA ILE 34 HA ILE 34 -0.061 -7.285 -2.088 236 HB ILE 34 HB ILE 34 -0.401 -6.714 0.266 237 1HG1 ILE 34 1HG1 ILE 34 2.443 -5.905 -0.450 238 2HG1 ILE 34 2HG1 ILE 34 1.012 -5.258 -1.264 239 1HG2 ILE 34 1HG2 ILE 34 0.657 -8.638 1.387 240 2HG2 ILE 34 2HG2 ILE 34 2.261 -8.090 0.850 241 3HG2 ILE 34 3HG2 ILE 34 1.320 -7.131 1.999 242 1HD1 ILE 34 1HD1 ILE 34 1.627 -4.978 1.702 243 2HD1 ILE 34 2HD1 ILE 34 1.724 -3.719 0.462 244 3HD1 ILE 34 3HD1 ILE 34 0.151 -4.425 0.886 245 H VAL 35 H VAL 35 1.842 -6.573 -2.966 246 HA VAL 35 HA VAL 35 4.399 -8.018 -2.602 247 HB VAL 35 HB VAL 35 3.006 -7.480 -5.275 248 1HG1 VAL 35 1HG1 VAL 35 5.134 -8.137 -6.425 249 2HG1 VAL 35 2HG1 VAL 35 5.237 -6.576 -5.622 250 3HG1 VAL 35 3HG1 VAL 35 5.985 -8.009 -4.870 251 1HG2 VAL 35 1HG2 VAL 35 2.664 -9.736 -4.297 252 2HG2 VAL 35 2HG2 VAL 35 3.718 -9.868 -5.710 253 3HG2 VAL 35 3HG2 VAL 35 4.426 -9.902 -4.075 254 H VAL 36 H VAL 36 6.123 -6.564 -2.809 255 HA VAL 36 HA VAL 36 5.438 -3.758 -3.550 256 HB VAL 36 HB VAL 36 5.094 -4.010 -1.131 257 1HG1 VAL 36 1HG1 VAL 36 8.055 -4.699 -1.031 258 2HG1 VAL 36 2HG1 VAL 36 6.983 -4.340 0.338 259 3HG1 VAL 36 3HG1 VAL 36 6.698 -5.786 -0.640 260 1HG2 VAL 36 1HG2 VAL 36 7.466 -2.223 -1.748 261 2HG2 VAL 36 2HG2 VAL 36 5.753 -1.805 -1.918 262 3HG2 VAL 36 3HG2 VAL 36 6.420 -2.129 -0.319 263 H SER 37 H SER 37 7.096 -2.391 -4.109 264 HA SER 37 HA SER 37 9.467 -3.705 -5.326 265 1HB SER 37 1HB SER 37 8.047 -1.051 -5.640 266 2HB SER 37 2HB SER 37 9.725 -1.247 -6.117 267 HG SER 37 HG SER 37 9.237 -2.403 -7.732 268 H LEU 38 H LEU 38 11.440 -3.372 -4.651 269 HA LEU 38 HA LEU 38 12.090 -1.451 -2.423 270 1HB LEU 38 1HB LEU 38 12.462 -4.053 -2.285 271 2HB LEU 38 2HB LEU 38 13.827 -3.725 -3.353 272 HG LEU 38 HG LEU 38 14.492 -1.885 -1.706 273 1HD1 LEU 38 1HD1 LEU 38 12.602 -1.525 -0.311 274 2HD1 LEU 38 2HD1 LEU 38 13.762 -2.356 0.719 275 3HD1 LEU 38 3HD1 LEU 38 12.438 -3.279 0.019 276 1HD2 LEU 38 1HD2 LEU 38 15.546 -3.402 -0.130 277 2HD2 LEU 38 2HD2 LEU 38 15.700 -3.927 -1.841 278 3HD2 LEU 38 3HD2 LEU 38 14.517 -4.723 -0.737 279 H GLU 39 H GLU 39 12.858 -2.420 -5.710 280 HA GLU 39 HA GLU 39 15.006 -0.604 -6.152 281 1HB GLU 39 1HB GLU 39 14.889 -1.340 -8.253 282 2HB GLU 39 2HB GLU 39 14.689 -2.735 -7.234 283 1HG GLU 39 1HG GLU 39 12.881 -1.478 -9.256 284 2HG GLU 39 2HG GLU 39 13.396 -3.138 -9.027 285 H ASN 40 H ASN 40 11.556 -0.586 -6.507 286 HA ASN 40 HA ASN 40 11.485 2.319 -7.126 287 1HB ASN 40 1HB ASN 40 9.468 0.169 -7.718 288 2HB ASN 40 2HB ASN 40 8.992 1.864 -7.658 289 1HD2 ASN 40 1HD2 ASN 40 10.878 -0.502 -9.336 290 2HD2 ASN 40 2HD2 ASN 40 11.697 0.635 -10.412 291 H ARG 41 H ARG 41 9.074 3.053 -6.236 292 HA ARG 41 HA ARG 41 9.304 3.072 -3.267 293 1HB ARG 41 1HB ARG 41 8.220 5.427 -4.840 294 2HB ARG 41 2HB ARG 41 8.902 5.365 -3.234 295 1HG ARG 41 1HG ARG 41 10.546 6.478 -4.358 296 2HG ARG 41 2HG ARG 41 11.176 4.832 -4.468 297 1HD ARG 41 1HD ARG 41 10.226 4.668 -6.783 298 2HD ARG 41 2HD ARG 41 9.530 6.271 -6.603 299 HE ARG 41 HE ARG 41 11.856 7.138 -6.381 300 1HH1 ARG 41 1HH1 ARG 41 11.321 4.208 -8.413 301 2HH1 ARG 41 2HH1 ARG 41 12.905 4.296 -9.059 302 1HH2 ARG 41 1HH2 ARG 41 13.812 7.222 -7.424 303 2HH2 ARG 41 2HH2 ARG 41 14.230 6.051 -8.645 304 H SER 42 H SER 42 7.648 1.182 -4.682 305 HA SER 42 HA SER 42 4.880 2.143 -4.210 306 1HB SER 42 1HB SER 42 4.333 1.000 -6.471 307 2HB SER 42 2HB SER 42 5.008 2.615 -6.471 308 HG SER 42 HG SER 42 6.334 0.171 -7.064 309 H ALA 43 H ALA 43 3.267 0.573 -4.252 310 HA ALA 43 HA ALA 43 4.024 -2.269 -3.647 311 1HB ALA 43 1HB ALA 43 2.390 -2.194 -1.808 312 2HB ALA 43 2HB ALA 43 3.636 -0.963 -1.533 313 3HB ALA 43 3HB ALA 43 2.039 -0.481 -2.146 314 H ILE 44 H ILE 44 2.596 -3.770 -4.308 315 HA ILE 44 HA ILE 44 0.120 -2.954 -5.775 316 HB ILE 44 HB ILE 44 1.982 -5.301 -6.329 317 1HG1 ILE 44 1HG1 ILE 44 1.222 -2.892 -8.055 318 2HG1 ILE 44 2HG1 ILE 44 2.750 -3.052 -7.192 319 1HG2 ILE 44 1HG2 ILE 44 -0.411 -5.929 -6.564 320 2HG2 ILE 44 2HG2 ILE 44 -0.681 -4.524 -7.619 321 3HG2 ILE 44 3HG2 ILE 44 0.367 -5.863 -8.136 322 1HD1 ILE 44 1HD1 ILE 44 3.260 -5.115 -8.520 323 2HD1 ILE 44 2HD1 ILE 44 1.806 -4.792 -9.499 324 3HD1 ILE 44 3HD1 ILE 44 3.136 -3.628 -9.478 325 H VAL 45 H VAL 45 -1.587 -3.493 -4.620 326 HA VAL 45 HA VAL 45 -1.307 -5.426 -2.324 327 HB VAL 45 HB VAL 45 -3.061 -2.993 -2.561 328 1HG1 VAL 45 1HG1 VAL 45 -3.868 -4.741 -0.963 329 2HG1 VAL 45 2HG1 VAL 45 -2.281 -4.738 -0.165 330 3HG1 VAL 45 3HG1 VAL 45 -3.327 -3.306 -0.094 331 1HG2 VAL 45 1HG2 VAL 45 -1.555 -1.837 -0.997 332 2HG2 VAL 45 2HG2 VAL 45 -0.420 -3.203 -1.076 333 3HG2 VAL 45 3HG2 VAL 45 -0.735 -2.207 -2.505 334 H VAL 46 H VAL 46 -2.847 -7.063 -2.205 335 HA VAL 46 HA VAL 46 -4.824 -7.244 -4.437 336 HB VAL 46 HB VAL 46 -3.252 -9.397 -2.978 337 1HG1 VAL 46 1HG1 VAL 46 -5.389 -10.259 -3.851 338 2HG1 VAL 46 2HG1 VAL 46 -4.927 -9.722 -5.485 339 3HG1 VAL 46 3HG1 VAL 46 -3.977 -10.972 -4.633 340 1HG2 VAL 46 1HG2 VAL 46 -1.643 -8.181 -4.267 341 2HG2 VAL 46 2HG2 VAL 46 -1.953 -9.727 -5.052 342 3HG2 VAL 46 3HG2 VAL 46 -2.665 -8.242 -5.712 343 H TYR 47 H TYR 47 -6.877 -6.970 -3.566 344 HA TYR 47 HA TYR 47 -7.374 -7.891 -0.763 345 1HB TYR 47 1HB TYR 47 -8.536 -5.855 -0.272 346 2HB TYR 47 2HB TYR 47 -6.925 -5.476 -0.836 347 HD1 TYR 47 HD1 TYR 47 -6.524 -4.605 -3.138 348 HD2 TYR 47 HD2 TYR 47 -10.492 -5.057 -1.525 349 HE1 TYR 47 HE1 TYR 47 -7.387 -3.025 -4.843 350 HE2 TYR 47 HE2 TYR 47 -11.378 -3.575 -3.329 351 HH TYR 47 HH TYR 47 -9.260 -2.191 -5.856 352 H ASN 48 H ASN 48 -9.565 -8.352 -0.128 353 HA ASN 48 HA ASN 48 -11.063 -9.489 -2.429 354 1HB ASN 48 1HB ASN 48 -10.135 -10.946 -0.587 355 2HB ASN 48 2HB ASN 48 -11.285 -10.191 0.523 356 1HD2 ASN 48 1HD2 ASN 48 -10.816 -12.601 -1.921 357 2HD2 ASN 48 2HD2 ASN 48 -12.505 -13.082 -2.036 358 H ALA 49 H ALA 49 -12.884 -8.571 -3.038 359 HA ALA 49 HA ALA 49 -14.976 -7.568 -1.385 360 1HB ALA 49 1HB ALA 49 -13.479 -5.662 -0.947 361 2HB ALA 49 2HB ALA 49 -13.117 -5.520 -2.682 362 3HB ALA 49 3HB ALA 49 -14.744 -5.138 -2.062 363 H SER 50 H SER 50 -16.883 -7.494 -2.684 364 HA SER 50 HA SER 50 -16.807 -7.988 -5.498 365 1HB SER 50 1HB SER 50 -19.057 -6.557 -4.045 366 2HB SER 50 2HB SER 50 -19.155 -7.639 -5.446 367 HG SER 50 HG SER 50 -19.785 -8.751 -3.579 368 H SER 51 H SER 51 -16.897 -4.975 -3.639 369 HA SER 51 HA SER 51 -15.345 -3.562 -5.408 370 1HB SER 51 1HB SER 51 -17.326 -3.407 -6.914 371 2HB SER 51 2HB SER 51 -18.189 -2.534 -5.626 372 HG SER 51 HG SER 51 -16.959 -1.205 -7.201 373 H VAL 52 H VAL 52 -15.046 -1.389 -4.658 374 HA VAL 52 HA VAL 52 -15.787 -0.080 -2.360 375 HB VAL 52 HB VAL 52 -13.873 -0.475 -0.830 376 1HG1 VAL 52 1HG1 VAL 52 -14.757 -2.104 0.542 377 2HG1 VAL 52 2HG1 VAL 52 -16.156 -1.458 -0.332 378 3HG1 VAL 52 3HG1 VAL 52 -15.446 -3.037 -0.778 379 1HG2 VAL 52 1HG2 VAL 52 -13.425 -3.038 -2.385 380 2HG2 VAL 52 2HG2 VAL 52 -12.324 -1.648 -2.270 381 3HG2 VAL 52 3HG2 VAL 52 -12.658 -2.628 -0.836 382 H THR 53 H THR 53 -13.840 1.490 -1.735 383 HA THR 53 HA THR 53 -12.621 2.252 -4.297 384 HB THR 53 HB THR 53 -13.756 4.002 -3.244 385 HG1 THR 53 HG1 THR 53 -12.116 5.419 -3.415 386 1HG2 THR 53 1HG2 THR 53 -13.042 4.995 -1.107 387 2HG2 THR 53 2HG2 THR 53 -11.909 3.652 -0.846 388 3HG2 THR 53 3HG2 THR 53 -13.657 3.354 -0.872 389 HA PRO 54 HA PRO 54 -8.504 0.673 -3.124 390 1HB PRO 54 1HB PRO 54 -7.005 2.115 -4.900 391 2HB PRO 54 2HB PRO 54 -7.966 0.673 -5.348 392 1HG PRO 54 1HG PRO 54 -8.764 3.591 -5.610 393 2HG PRO 54 2HG PRO 54 -8.856 2.303 -6.856 394 1HD PRO 54 1HD PRO 54 -11.004 2.995 -5.389 395 2HD PRO 54 2HD PRO 54 -10.696 1.273 -5.760 396 H GLU 55 H GLU 55 -9.668 4.014 -2.995 397 HA GLU 55 HA GLU 55 -7.537 5.372 -1.798 398 1HB GLU 55 1HB GLU 55 -9.736 6.299 -2.556 399 2HB GLU 55 2HB GLU 55 -10.510 5.523 -1.181 400 1HG GLU 55 1HG GLU 55 -10.253 7.863 -0.743 401 2HG GLU 55 2HG GLU 55 -9.263 6.949 0.382 402 H SER 56 H SER 56 -9.449 2.768 -0.460 403 HA SER 56 HA SER 56 -9.015 3.267 2.372 404 1HB SER 56 1HB SER 56 -9.746 0.915 2.581 405 2HB SER 56 2HB SER 56 -10.873 1.872 1.605 406 HG SER 56 HG SER 56 -10.262 0.771 -0.202 407 H LEU 57 H LEU 57 -7.348 1.237 -0.059 408 HA LEU 57 HA LEU 57 -5.334 0.281 1.841 409 1HB LEU 57 1HB LEU 57 -5.302 0.389 -1.183 410 2HB LEU 57 2HB LEU 57 -4.190 -0.520 -0.170 411 HG LEU 57 HG LEU 57 -7.176 -1.040 -0.563 412 1HD1 LEU 57 1HD1 LEU 57 -5.746 -3.274 -1.377 413 2HD1 LEU 57 2HD1 LEU 57 -4.670 -1.942 -1.839 414 3HD1 LEU 57 3HD1 LEU 57 -6.316 -1.958 -2.451 415 1HD2 LEU 57 1HD2 LEU 57 -6.871 -3.126 0.697 416 2HD2 LEU 57 2HD2 LEU 57 -6.547 -1.706 1.713 417 3HD2 LEU 57 3HD2 LEU 57 -5.199 -2.685 1.096 418 H ARG 58 H ARG 58 -5.467 2.855 -0.645 419 HA ARG 58 HA ARG 58 -2.923 3.972 -0.365 420 1HB ARG 58 1HB ARG 58 -4.821 4.599 -1.933 421 2HB ARG 58 2HB ARG 58 -5.532 5.542 -0.678 422 1HG ARG 58 1HG ARG 58 -2.646 6.031 -1.274 423 2HG ARG 58 2HG ARG 58 -3.762 6.483 -2.540 424 1HD ARG 58 1HD ARG 58 -4.225 7.455 0.291 425 2HD ARG 58 2HD ARG 58 -3.028 8.231 -0.751 426 HE ARG 58 HE ARG 58 -5.833 7.900 -1.748 427 1HH1 ARG 58 1HH1 ARG 58 -3.627 10.229 -0.341 428 2HH1 ARG 58 2HH1 ARG 58 -4.279 11.542 -1.309 429 1HH2 ARG 58 1HH2 ARG 58 -6.766 9.481 -2.607 430 2HH2 ARG 58 2HH2 ARG 58 -6.160 11.134 -2.598 431 H LYS 59 H LYS 59 -5.842 4.724 1.625 432 HA LYS 59 HA LYS 59 -4.585 6.286 3.614 433 1HB LYS 59 1HB LYS 59 -7.157 4.843 3.222 434 2HB LYS 59 2HB LYS 59 -6.668 5.001 4.891 435 1HG LYS 59 1HG LYS 59 -8.055 6.897 4.167 436 2HG LYS 59 2HG LYS 59 -6.447 7.384 4.727 437 1HD LYS 59 1HD LYS 59 -5.736 7.511 2.284 438 2HD LYS 59 2HD LYS 59 -7.405 7.236 1.846 439 1HE LYS 59 1HE LYS 59 -8.088 9.332 2.780 440 2HE LYS 59 2HE LYS 59 -6.622 9.419 3.800 441 1HZ LYS 59 1HZ LYS 59 -6.621 9.613 0.867 442 2HZ LYS 59 2HZ LYS 59 -5.289 9.730 1.878 443 3HZ LYS 59 3HZ LYS 59 -6.456 10.893 1.904 444 H ALA 60 H ALA 60 -4.779 2.674 3.463 445 HA ALA 60 HA ALA 60 -3.788 2.340 6.169 446 1HB ALA 60 1HB ALA 60 -3.641 0.454 3.781 447 2HB ALA 60 2HB ALA 60 -3.414 0.036 5.492 448 3HB ALA 60 3HB ALA 60 -5.006 0.583 4.919 449 H ILE 61 H ILE 61 -2.176 2.707 2.998 450 HA ILE 61 HA ILE 61 0.463 2.464 4.144 451 HB ILE 61 HB ILE 61 -0.267 3.989 1.604 452 1HG1 ILE 61 1HG1 ILE 61 0.474 1.055 1.674 453 2HG1 ILE 61 2HG1 ILE 61 -1.157 1.653 1.504 454 1HG2 ILE 61 1HG2 ILE 61 1.961 4.466 2.109 455 2HG2 ILE 61 2HG2 ILE 61 2.285 2.850 2.776 456 3HG2 ILE 61 3HG2 ILE 61 2.167 3.112 1.037 457 1HD1 ILE 61 1HD1 ILE 61 -0.618 2.788 -0.579 458 2HD1 ILE 61 2HD1 ILE 61 1.052 2.201 -0.508 459 3HD1 ILE 61 3HD1 ILE 61 -0.284 1.050 -0.658 460 H GLU 62 H GLU 62 -1.486 5.403 3.320 461 HA GLU 62 HA GLU 62 0.334 7.327 4.257 462 1HB GLU 62 1HB GLU 62 -2.698 7.299 4.532 463 2HB GLU 62 2HB GLU 62 -1.628 8.670 4.848 464 1HG GLU 62 1HG GLU 62 -1.044 8.934 2.561 465 2HG GLU 62 2HG GLU 62 -1.869 7.443 2.105 466 H ALA 63 H ALA 63 -1.748 5.104 6.121 467 HA ALA 63 HA ALA 63 -1.312 6.496 8.641 468 1HB ALA 63 1HB ALA 63 -3.456 5.366 8.082 469 2HB ALA 63 2HB ALA 63 -2.599 3.803 8.015 470 3HB ALA 63 3HB ALA 63 -2.725 4.687 9.551 471 H VAL 64 H VAL 64 0.884 4.830 7.016 472 HA VAL 64 HA VAL 64 1.981 3.415 9.399 473 HB VAL 64 HB VAL 64 1.853 2.379 6.939 474 1HG1 VAL 64 1HG1 VAL 64 4.637 3.418 6.749 475 2HG1 VAL 64 2HG1 VAL 64 3.687 2.375 5.652 476 3HG1 VAL 64 3HG1 VAL 64 3.225 4.080 5.901 477 1HG2 VAL 64 1HG2 VAL 64 3.635 0.856 7.664 478 2HG2 VAL 64 2HG2 VAL 64 4.392 2.137 8.660 479 3HG2 VAL 64 3HG2 VAL 64 2.849 1.414 9.155 480 H SER 65 H SER 65 2.638 6.108 7.177 481 HA SER 65 HA SER 65 4.203 7.285 9.343 482 1HB SER 65 1HB SER 65 5.647 7.619 6.809 483 2HB SER 65 2HB SER 65 6.155 7.434 8.498 484 HG SER 65 HG SER 65 5.502 5.171 8.219 485 HA PRO 66 HA PRO 66 1.043 9.793 7.074 486 1HB PRO 66 1HB PRO 66 -0.179 10.854 9.371 487 2HB PRO 66 2HB PRO 66 -0.672 9.374 8.495 488 1HG PRO 66 1HG PRO 66 1.132 9.600 10.925 489 2HG PRO 66 2HG PRO 66 -0.224 8.453 10.641 490 1HD PRO 66 1HD PRO 66 2.269 7.580 10.198 491 2HD PRO 66 2HD PRO 66 1.045 7.249 9.012 492 H GLY 67 H GLY 67 0.873 11.934 6.653 493 1HA GLY 67 1HA GLY 67 1.492 14.186 6.568 494 2HA GLY 67 2HA GLY 67 2.489 13.962 8.026 495 H LEU 68 H LEU 68 3.919 11.629 6.735 496 HA LEU 68 HA LEU 68 5.859 13.201 5.123 497 1HB LEU 68 1HB LEU 68 7.312 12.412 6.447 498 2HB LEU 68 2HB LEU 68 6.050 11.676 7.384 499 HG LEU 68 HG LEU 68 6.333 9.579 5.956 500 1HD1 LEU 68 1HD1 LEU 68 7.724 10.406 4.067 501 2HD1 LEU 68 2HD1 LEU 68 8.630 9.245 5.035 502 3HD1 LEU 68 3HD1 LEU 68 8.951 10.983 5.208 503 1HD2 LEU 68 1HD2 LEU 68 8.573 10.696 7.652 504 2HD2 LEU 68 2HD2 LEU 68 8.239 8.956 7.386 505 3HD2 LEU 68 3HD2 LEU 68 7.074 9.958 8.268 506 H TYR 69 H TYR 69 3.915 10.213 4.999 507 HA TYR 69 HA TYR 69 4.949 9.358 2.435 508 1HB TYR 69 1HB TYR 69 2.640 8.530 4.247 509 2HB TYR 69 2HB TYR 69 2.772 7.937 2.614 510 HD1 TYR 69 HD1 TYR 69 6.031 8.382 4.218 511 HD2 TYR 69 HD2 TYR 69 2.745 5.673 3.586 512 HE1 TYR 69 HE1 TYR 69 7.436 6.484 4.904 513 HE2 TYR 69 HE2 TYR 69 4.215 3.783 3.877 514 HH TYR 69 HH TYR 69 7.440 4.243 5.354 515 H ARG 70 H ARG 70 4.670 10.752 0.658 516 HA ARG 70 HA ARG 70 1.984 11.701 -0.027 517 1HB ARG 70 1HB ARG 70 4.138 12.850 -0.703 518 2HB ARG 70 2HB ARG 70 4.406 11.540 -1.787 519 1HG ARG 70 1HG ARG 70 2.887 12.217 -3.313 520 2HG ARG 70 2HG ARG 70 1.678 12.618 -2.100 521 1HD ARG 70 1HD ARG 70 2.297 14.626 -3.311 522 2HD ARG 70 2HD ARG 70 2.714 14.696 -1.591 523 HE ARG 70 HE ARG 70 4.886 15.124 -2.234 524 1HH1 ARG 70 1HH1 ARG 70 3.563 13.104 -4.856 525 2HH1 ARG 70 2HH1 ARG 70 5.162 12.932 -5.536 526 1HH2 ARG 70 1HH2 ARG 70 6.848 14.876 -3.365 527 2HH2 ARG 70 2HH2 ARG 70 6.830 13.866 -4.796 528 H VAL 71 H VAL 71 1.073 9.569 0.288 529 HA VAL 71 HA VAL 71 1.601 7.485 -1.700 530 HB VAL 71 HB VAL 71 -0.936 7.454 -0.064 531 1HG1 VAL 71 1HG1 VAL 71 0.938 5.219 -1.001 532 2HG1 VAL 71 2HG1 VAL 71 -0.680 5.053 -0.283 533 3HG1 VAL 71 3HG1 VAL 71 -0.497 5.733 -1.893 534 1HG2 VAL 71 1HG2 VAL 71 1.850 6.681 0.884 535 2HG2 VAL 71 2HG2 VAL 71 0.772 7.900 1.590 536 3HG2 VAL 71 3HG2 VAL 71 0.342 6.197 1.672 537 H SER 72 H SER 72 0.842 7.215 -3.617 538 HA SER 72 HA SER 72 -1.558 8.732 -4.570 539 1HB SER 72 1HB SER 72 0.948 8.210 -6.170 540 2HB SER 72 2HB SER 72 -0.306 9.409 -6.429 541 HG SER 72 HG SER 72 1.650 9.420 -4.362 542 H ILE 73 H ILE 73 -2.767 7.616 -6.213 543 HA ILE 73 HA ILE 73 -2.160 4.710 -6.644 544 HB ILE 73 HB ILE 73 -4.587 6.424 -7.350 545 1HG1 ILE 73 1HG1 ILE 73 -4.302 4.212 -5.283 546 2HG1 ILE 73 2HG1 ILE 73 -4.254 5.926 -4.879 547 1HG2 ILE 73 1HG2 ILE 73 -4.169 3.406 -7.645 548 2HG2 ILE 73 2HG2 ILE 73 -5.664 4.292 -8.012 549 3HG2 ILE 73 3HG2 ILE 73 -4.235 4.570 -8.986 550 1HD1 ILE 73 1HD1 ILE 73 -6.445 5.080 -4.376 551 2HD1 ILE 73 2HD1 ILE 73 -6.565 6.198 -5.748 552 3HD1 ILE 73 3HD1 ILE 73 -6.639 4.439 -6.015 553 H THR 74 H THR 74 -1.045 4.138 -8.440 554 HA THR 74 HA THR 74 -1.289 5.919 -10.833 555 HB THR 74 HB THR 74 0.955 5.842 -10.120 556 HG1 THR 74 HG1 THR 74 1.736 5.143 -12.129 557 1HG2 THR 74 1HG2 THR 74 0.977 2.824 -10.516 558 2HG2 THR 74 2HG2 THR 74 1.080 3.656 -8.947 559 3HG2 THR 74 3HG2 THR 74 2.363 3.866 -10.146 560 H SER 75 H SER 75 -2.823 5.271 -12.112 561 HA SER 75 HA SER 75 -2.772 2.647 -13.339 562 1HB SER 75 1HB SER 75 -4.142 2.217 -11.260 563 2HB SER 75 2HB SER 75 -5.291 3.440 -11.831 564 HG SER 75 HG SER 75 -6.119 1.716 -12.806 565 H GLU 76 H GLU 76 -4.347 2.573 -15.184 566 HA GLU 76 HA GLU 76 -4.784 5.279 -16.315 567 1HB GLU 76 1HB GLU 76 -3.613 3.673 -17.726 568 2HB GLU 76 2HB GLU 76 -5.043 2.618 -17.748 569 1HG GLU 76 1HG GLU 76 -6.335 4.225 -18.936 570 2HG GLU 76 2HG GLU 76 -5.288 5.562 -18.478 571 H VAL 77 H VAL 77 -6.187 5.625 -14.654 572 HA VAL 77 HA VAL 77 -8.871 4.595 -14.457 573 HB VAL 77 HB VAL 77 -7.756 7.330 -13.706 574 1HG1 VAL 77 1HG1 VAL 77 -10.213 5.886 -12.609 575 2HG1 VAL 77 2HG1 VAL 77 -9.530 7.399 -11.980 576 3HG1 VAL 77 3HG1 VAL 77 -10.231 7.367 -13.592 577 1HG2 VAL 77 1HG2 VAL 77 -7.940 4.753 -12.071 578 2HG2 VAL 77 2HG2 VAL 77 -6.449 5.547 -12.600 579 3HG2 VAL 77 3HG2 VAL 77 -7.480 6.343 -11.421 Start of MODEL 8 1 1H ASN 1 1HT ASN 1 -12.833 -14.742 -8.299 2 HA ASN 1 HA ASN 1 -11.181 -14.744 -6.765 3 1HB ASN 1 1HB ASN 1 -9.326 -13.677 -8.911 4 2HB ASN 1 2HB ASN 1 -8.876 -14.446 -7.394 5 1HD2 ASN 1 1HD2 ASN 1 -11.135 -16.569 -7.688 6 2HD2 ASN 1 2HD2 ASN 1 -10.381 -17.645 -8.859 7 H ASP 2 H ASP 2 -9.100 -12.961 -6.145 8 HA ASP 2 HA ASP 2 -10.508 -10.912 -4.736 9 1HB ASP 2 1HB ASP 2 -7.571 -11.549 -5.117 10 2HB ASP 2 2HB ASP 2 -8.214 -10.268 -4.077 11 H SER 3 H SER 3 -9.929 -8.655 -4.708 12 HA SER 3 HA SER 3 -9.672 -7.438 -7.395 13 1HB SER 3 1HB SER 3 -11.372 -6.623 -5.739 14 2HB SER 3 2HB SER 3 -10.076 -6.174 -4.649 15 HG SER 3 HG SER 3 -10.939 -5.096 -7.121 16 H THR 4 H THR 4 -8.239 -5.286 -7.119 17 HA THR 4 HA THR 4 -5.705 -5.608 -5.824 18 HB THR 4 HB THR 4 -5.978 -6.653 -8.640 19 HG1 THR 4 HG1 THR 4 -5.793 -7.801 -6.526 20 1HG2 THR 4 1HG2 THR 4 -4.161 -4.994 -8.925 21 2HG2 THR 4 2HG2 THR 4 -3.506 -6.634 -8.868 22 3HG2 THR 4 3HG2 THR 4 -3.375 -5.592 -7.440 23 H ALA 5 H ALA 5 -4.443 -3.873 -6.010 24 HA ALA 5 HA ALA 5 -4.795 -1.892 -8.103 25 1HB ALA 5 1HB ALA 5 -5.396 -1.252 -5.192 26 2HB ALA 5 2HB ALA 5 -5.048 0.005 -6.392 27 3HB ALA 5 3HB ALA 5 -6.476 -1.043 -6.583 28 H THR 6 H THR 6 -3.124 -0.140 -7.893 29 HA THR 6 HA THR 6 -0.649 -0.972 -6.460 30 HB THR 6 HB THR 6 -0.812 0.187 -9.240 31 HG1 THR 6 HG1 THR 6 -0.092 -1.837 -9.853 32 1HG2 THR 6 1HG2 THR 6 1.192 0.967 -8.147 33 2HG2 THR 6 2HG2 THR 6 1.642 -0.289 -9.308 34 3HG2 THR 6 3HG2 THR 6 1.571 -0.671 -7.567 35 H PHE 7 H PHE 7 0.434 0.533 -5.522 36 HA PHE 7 HA PHE 7 -0.515 3.360 -5.578 37 1HB PHE 7 1HB PHE 7 0.154 1.884 -3.017 38 2HB PHE 7 2HB PHE 7 -0.574 3.476 -3.231 39 HD1 PHE 7 HD1 PHE 7 -1.342 -0.232 -3.666 40 HD2 PHE 7 HD2 PHE 7 -2.910 3.803 -3.434 41 HE1 PHE 7 HE1 PHE 7 -3.605 -1.104 -3.709 42 HE2 PHE 7 HE2 PHE 7 -5.206 2.877 -3.496 43 HZ PHE 7 HZ PHE 7 -5.562 0.438 -3.613 44 H ILE 8 H ILE 8 0.987 4.934 -4.949 45 HA ILE 8 HA ILE 8 3.825 4.104 -4.652 46 HB ILE 8 HB ILE 8 3.166 4.572 -7.029 47 1HG1 ILE 8 1HG1 ILE 8 5.182 6.664 -6.175 48 2HG1 ILE 8 2HG1 ILE 8 5.453 4.974 -5.762 49 1HG2 ILE 8 1HG2 ILE 8 2.853 6.839 -7.849 50 2HG2 ILE 8 2HG2 ILE 8 1.561 6.405 -6.725 51 3HG2 ILE 8 3HG2 ILE 8 2.874 7.479 -6.197 52 1HD1 ILE 8 1HD1 ILE 8 5.335 4.274 -8.073 53 2HD1 ILE 8 2HD1 ILE 8 5.019 5.953 -8.599 54 3HD1 ILE 8 3HD1 ILE 8 6.580 5.518 -7.856 55 H ILE 9 H ILE 9 5.071 5.337 -3.390 56 HA ILE 9 HA ILE 9 3.662 7.499 -1.922 57 HB ILE 9 HB ILE 9 5.738 5.551 -0.919 58 1HG1 ILE 9 1HG1 ILE 9 4.079 4.470 0.422 59 2HG1 ILE 9 2HG1 ILE 9 2.772 5.338 -0.341 60 1HG2 ILE 9 1HG2 ILE 9 4.955 6.465 1.296 61 2HG2 ILE 9 2HG2 ILE 9 5.629 7.730 0.280 62 3HG2 ILE 9 3HG2 ILE 9 3.879 7.595 0.424 63 1HD1 ILE 9 1HD1 ILE 9 4.649 3.371 -1.712 64 2HD1 ILE 9 2HD1 ILE 9 3.196 2.888 -0.846 65 3HD1 ILE 9 3HD1 ILE 9 3.026 3.903 -2.272 66 H ASP 10 H ASP 10 4.579 9.427 -2.614 67 HA ASP 10 HA ASP 10 7.415 9.641 -3.247 68 1HB ASP 10 1HB ASP 10 5.483 10.797 -4.423 69 2HB ASP 10 2HB ASP 10 5.449 11.929 -3.082 70 H GLY 11 H GLY 11 6.807 8.986 -0.481 71 1HA GLY 11 1HA GLY 11 8.617 10.923 0.852 72 2HA GLY 11 2HA GLY 11 7.030 10.716 1.588 73 H MET 12 H MET 12 8.575 8.003 0.008 74 HA MET 12 HA MET 12 8.229 6.471 2.464 75 1HB MET 12 1HB MET 12 7.435 5.820 0.256 76 2HB MET 12 2HB MET 12 9.082 5.598 -0.333 77 1HG MET 12 1HG MET 12 8.207 4.213 2.151 78 2HG MET 12 2HG MET 12 7.432 3.698 0.691 79 1HE MET 12 1HE MET 12 8.060 2.229 -0.918 80 2HE MET 12 2HE MET 12 9.500 1.204 -0.867 81 3HE MET 12 3HE MET 12 8.314 1.135 0.456 82 H HIS 13 H HIS 13 9.745 5.781 3.823 83 HA HIS 13 HA HIS 13 12.345 6.887 3.748 84 1HB HIS 13 1HB HIS 13 11.523 4.561 5.447 85 2HB HIS 13 2HB HIS 13 12.704 5.801 5.846 86 HD1 HIS 13 HD1 HIS 13 11.161 5.576 8.182 87 HD2 HIS 13 HD2 HIS 13 9.403 7.486 4.868 88 HE1 HIS 13 HE1 HIS 13 8.947 6.550 8.981 89 H CYS 14 H CYS 14 11.627 4.533 1.721 90 HA CYS 14 HA CYS 14 12.978 3.435 0.266 91 1HB CYS 14 1HB CYS 14 14.823 4.922 1.186 92 2HB CYS 14 2HB CYS 14 15.311 3.572 2.208 93 HG CYS 14 HG CYS 14 16.847 3.892 0.026 94 H LYS 15 H LYS 15 15.040 1.398 1.286 95 HA LYS 15 HA LYS 15 13.292 -0.839 1.250 96 1HB LYS 15 1HB LYS 15 16.225 -0.467 1.868 97 2HB LYS 15 2HB LYS 15 15.456 -2.015 2.201 98 1HG LYS 15 1HG LYS 15 16.493 -2.061 0.009 99 2HG LYS 15 2HG LYS 15 14.744 -2.276 -0.097 100 1HD LYS 15 1HD LYS 15 14.439 -0.010 -0.912 101 2HD LYS 15 2HD LYS 15 16.151 0.364 -0.601 102 1HE LYS 15 1HE LYS 15 16.837 -1.228 -2.347 103 2HE LYS 15 2HE LYS 15 15.159 -1.688 -2.651 104 1HZ LYS 15 1HZ LYS 15 16.097 1.125 -2.938 105 2HZ LYS 15 2HZ LYS 15 14.668 0.496 -3.438 106 3HZ LYS 15 3HZ LYS 15 16.024 0.070 -4.191 107 H SER 16 H SER 16 14.500 0.857 4.228 108 HA SER 16 HA SER 16 13.217 -1.069 5.959 109 1HB SER 16 1HB SER 16 13.452 1.896 6.541 110 2HB SER 16 2HB SER 16 13.413 0.536 7.677 111 HG SER 16 HG SER 16 15.581 1.228 7.425 112 H CYS 17 H CYS 17 11.834 1.710 4.117 113 HA CYS 17 HA CYS 17 9.284 1.387 5.545 114 1HB CYS 17 1HB CYS 17 10.187 3.320 3.407 115 2HB CYS 17 2HB CYS 17 8.569 2.777 3.428 116 HG CYS 17 HG CYS 17 10.080 3.722 6.200 117 H VAL 18 H VAL 18 10.538 0.216 2.404 118 HA VAL 18 HA VAL 18 8.331 -1.091 1.460 119 HB VAL 18 HB VAL 18 11.163 -2.181 1.776 120 1HG1 VAL 18 1HG1 VAL 18 8.835 -3.637 0.635 121 2HG1 VAL 18 2HG1 VAL 18 10.359 -3.729 -0.253 122 3HG1 VAL 18 3HG1 VAL 18 10.280 -4.232 1.444 123 1HG2 VAL 18 1HG2 VAL 18 11.499 -1.628 -0.540 124 2HG2 VAL 18 2HG2 VAL 18 9.830 -1.053 -0.693 125 3HG2 VAL 18 3HG2 VAL 18 10.978 -0.208 0.355 126 H SER 19 H SER 19 10.420 -2.507 4.045 127 HA SER 19 HA SER 19 8.866 -4.816 4.603 128 1HB SER 19 1HB SER 19 11.219 -4.064 5.418 129 2HB SER 19 2HB SER 19 10.383 -3.075 6.626 130 HG SER 19 HG SER 19 9.475 -5.031 7.451 131 H ASN 20 H ASN 20 8.511 -1.485 5.965 132 HA ASN 20 HA ASN 20 6.424 -2.191 7.838 133 1HB ASN 20 1HB ASN 20 6.983 0.409 6.413 134 2HB ASN 20 2HB ASN 20 5.952 0.246 7.781 135 1HD2 ASN 20 1HD2 ASN 20 8.410 1.765 7.306 136 2HD2 ASN 20 2HD2 ASN 20 9.625 1.185 8.423 137 H ILE 21 H ILE 21 6.404 -1.111 4.400 138 HA ILE 21 HA ILE 21 3.526 -0.720 4.386 139 HB ILE 21 HB ILE 21 5.158 -1.304 1.906 140 1HG1 ILE 21 1HG1 ILE 21 5.707 0.951 3.731 141 2HG1 ILE 21 2HG1 ILE 21 6.537 0.327 2.336 142 1HG2 ILE 21 1HG2 ILE 21 3.408 0.137 0.872 143 2HG2 ILE 21 2HG2 ILE 21 2.750 -1.264 1.682 144 3HG2 ILE 21 3HG2 ILE 21 2.651 0.316 2.488 145 1HD1 ILE 21 1HD1 ILE 21 6.006 2.586 1.874 146 2HD1 ILE 21 2HD1 ILE 21 5.239 1.506 0.723 147 3HD1 ILE 21 3HD1 ILE 21 4.270 2.250 2.017 148 H GLU 22 H GLU 22 5.597 -3.422 3.366 149 HA GLU 22 HA GLU 22 3.608 -5.297 2.625 150 1HB GLU 22 1HB GLU 22 6.354 -5.519 3.916 151 2HB GLU 22 2HB GLU 22 5.436 -6.923 3.451 152 1HG GLU 22 1HG GLU 22 5.419 -5.048 1.238 153 2HG GLU 22 2HG GLU 22 7.055 -5.163 1.794 154 H SER 23 H SER 23 4.970 -4.603 5.899 155 HA SER 23 HA SER 23 3.291 -6.544 7.176 156 1HB SER 23 1HB SER 23 4.689 -4.088 8.366 157 2HB SER 23 2HB SER 23 4.137 -5.517 9.266 158 HG SER 23 HG SER 23 6.228 -5.331 7.338 159 H THR 24 H THR 24 2.902 -3.007 7.017 160 HA THR 24 HA THR 24 0.570 -2.954 8.698 161 HB THR 24 HB THR 24 1.762 -0.891 6.748 162 HG1 THR 24 HG1 THR 24 1.848 -1.057 9.576 163 1HG2 THR 24 1HG2 THR 24 0.531 0.777 8.183 164 2HG2 THR 24 2HG2 THR 24 -0.342 -0.576 8.947 165 3HG2 THR 24 3HG2 THR 24 -0.545 -0.241 7.219 166 H LEU 25 H LEU 25 1.009 -3.120 5.173 167 HA LEU 25 HA LEU 25 -1.908 -3.062 4.813 168 1HB LEU 25 1HB LEU 25 0.314 -3.850 2.927 169 2HB LEU 25 2HB LEU 25 -1.399 -3.764 2.518 170 HG LEU 25 HG LEU 25 0.547 -1.495 2.964 171 1HD1 LEU 25 1HD1 LEU 25 -0.079 -2.213 0.694 172 2HD1 LEU 25 2HD1 LEU 25 -0.764 -0.623 1.017 173 3HD1 LEU 25 3HD1 LEU 25 -1.811 -2.022 1.108 174 1HD2 LEU 25 1HD2 LEU 25 -1.233 0.147 3.211 175 2HD2 LEU 25 2HD2 LEU 25 -1.257 -0.914 4.601 176 3HD2 LEU 25 3HD2 LEU 25 -2.448 -1.131 3.283 177 H SER 26 H SER 26 0.593 -5.767 4.861 178 HA SER 26 HA SER 26 -1.490 -7.606 4.026 179 1HB SER 26 1HB SER 26 1.017 -7.706 3.623 180 2HB SER 26 2HB SER 26 1.183 -8.321 5.234 181 HG SER 26 HG SER 26 0.981 -10.061 3.876 182 H ALA 27 H ALA 27 -1.768 -6.065 6.663 183 HA ALA 27 HA ALA 27 -2.565 -8.352 8.428 184 1HB ALA 27 1HB ALA 27 -2.310 -6.727 10.288 185 2HB ALA 27 2HB ALA 27 -0.788 -6.909 9.391 186 3HB ALA 27 3HB ALA 27 -1.797 -5.473 9.133 187 H LEU 28 H LEU 28 -3.867 -6.162 6.193 188 HA LEU 28 HA LEU 28 -5.928 -5.039 7.863 189 1HB LEU 28 1HB LEU 28 -5.566 -5.113 4.846 190 2HB LEU 28 2HB LEU 28 -6.835 -4.208 5.662 191 HG LEU 28 HG LEU 28 -3.904 -3.738 6.320 192 1HD1 LEU 28 1HD1 LEU 28 -3.812 -1.978 4.741 193 2HD1 LEU 28 2HD1 LEU 28 -5.502 -2.135 4.289 194 3HD1 LEU 28 3HD1 LEU 28 -4.331 -3.405 3.836 195 1HD2 LEU 28 1HD2 LEU 28 -5.550 -2.828 7.910 196 2HD2 LEU 28 2HD2 LEU 28 -6.393 -2.008 6.573 197 3HD2 LEU 28 3HD2 LEU 28 -4.726 -1.541 7.016 198 H GLN 29 H GLN 29 -7.975 -5.607 8.170 199 HA GLN 29 HA GLN 29 -8.789 -8.304 7.854 200 1HB GLN 29 1HB GLN 29 -9.266 -6.528 9.710 201 2HB GLN 29 2HB GLN 29 -10.570 -5.989 8.653 202 1HG GLN 29 1HG GLN 29 -11.242 -8.599 8.739 203 2HG GLN 29 2HG GLN 29 -10.235 -8.581 10.185 204 1HE2 GLN 29 1HE2 GLN 29 -13.069 -7.013 8.631 205 2HE2 GLN 29 2HE2 GLN 29 -13.777 -6.504 10.173 206 H TYR 30 H TYR 30 -8.430 -7.042 5.311 207 HA TYR 30 HA TYR 30 -10.654 -8.206 3.903 208 1HB TYR 30 1HB TYR 30 -10.988 -6.166 2.440 209 2HB TYR 30 2HB TYR 30 -11.720 -6.153 4.035 210 HD1 TYR 30 HD1 TYR 30 -8.130 -5.190 3.055 211 HD2 TYR 30 HD2 TYR 30 -11.947 -3.948 4.666 212 HE1 TYR 30 HE1 TYR 30 -7.243 -2.974 3.435 213 HE2 TYR 30 HE2 TYR 30 -11.017 -1.682 5.077 214 HH TYR 30 HH TYR 30 -7.657 -0.817 4.188 215 H VAL 31 H VAL 31 -7.308 -7.761 4.103 216 HA VAL 31 HA VAL 31 -7.016 -7.692 1.140 217 HB VAL 31 HB VAL 31 -5.743 -5.929 2.444 218 1HG1 VAL 31 1HG1 VAL 31 -3.749 -6.461 3.328 219 2HG1 VAL 31 2HG1 VAL 31 -5.071 -7.218 4.254 220 3HG1 VAL 31 3HG1 VAL 31 -4.012 -8.222 3.190 221 1HG2 VAL 31 1HG2 VAL 31 -3.656 -6.160 1.126 222 2HG2 VAL 31 2HG2 VAL 31 -4.004 -7.846 0.790 223 3HG2 VAL 31 3HG2 VAL 31 -5.035 -6.555 0.100 224 H SER 32 H SER 32 -6.035 -9.451 0.079 225 HA SER 32 HA SER 32 -5.561 -11.859 1.816 226 1HB SER 32 1HB SER 32 -7.538 -11.861 0.209 227 2HB SER 32 2HB SER 32 -6.341 -11.912 -1.104 228 HG SER 32 HG SER 32 -5.432 -13.761 0.011 229 H SER 33 H SER 33 -3.895 -9.642 -0.204 230 HA SER 33 HA SER 33 -1.373 -10.925 0.079 231 1HB SER 33 1HB SER 33 -2.880 -11.469 -2.427 232 2HB SER 33 2HB SER 33 -1.183 -11.146 -2.607 233 HG SER 33 HG SER 33 -2.329 -13.013 -0.798 234 H ILE 34 H ILE 34 0.251 -9.971 -1.400 235 HA ILE 34 HA ILE 34 0.122 -7.304 -2.398 236 HB ILE 34 HB ILE 34 -0.330 -6.756 -0.029 237 1HG1 ILE 34 1HG1 ILE 34 2.535 -5.919 -0.623 238 2HG1 ILE 34 2HG1 ILE 34 1.133 -5.267 -1.484 239 1HG2 ILE 34 1HG2 ILE 34 2.324 -8.136 0.604 240 2HG2 ILE 34 2HG2 ILE 34 1.373 -7.174 1.727 241 3HG2 ILE 34 3HG2 ILE 34 0.707 -8.679 1.110 242 1HD1 ILE 34 1HD1 ILE 34 1.677 -5.028 1.495 243 2HD1 ILE 34 2HD1 ILE 34 1.739 -3.749 0.277 244 3HD1 ILE 34 3HD1 ILE 34 0.184 -4.515 0.682 245 H VAL 35 H VAL 35 2.088 -6.596 -3.139 246 HA VAL 35 HA VAL 35 4.625 -7.846 -2.343 247 HB VAL 35 HB VAL 35 3.672 -7.721 -5.238 248 1HG1 VAL 35 1HG1 VAL 35 5.864 -6.654 -5.322 249 2HG1 VAL 35 2HG1 VAL 35 6.567 -7.922 -4.291 250 3HG1 VAL 35 3HG1 VAL 35 6.015 -8.291 -5.938 251 1HG2 VAL 35 1HG2 VAL 35 4.739 -10.076 -5.198 252 2HG2 VAL 35 2HG2 VAL 35 5.000 -9.809 -3.450 253 3HG2 VAL 35 3HG2 VAL 35 3.346 -9.899 -4.126 254 H VAL 36 H VAL 36 5.871 -6.286 -1.815 255 HA VAL 36 HA VAL 36 5.507 -3.568 -3.058 256 HB VAL 36 HB VAL 36 7.195 -4.461 -0.719 257 1HG1 VAL 36 1HG1 VAL 36 7.767 -2.003 -0.524 258 2HG1 VAL 36 2HG1 VAL 36 8.605 -2.831 -1.851 259 3HG1 VAL 36 3HG1 VAL 36 7.211 -1.774 -2.180 260 1HG2 VAL 36 1HG2 VAL 36 5.825 -2.860 0.469 261 2HG2 VAL 36 2HG2 VAL 36 5.136 -2.240 -1.041 262 3HG2 VAL 36 3HG2 VAL 36 4.692 -3.861 -0.482 263 H SER 37 H SER 37 6.735 -2.685 -4.478 264 HA SER 37 HA SER 37 8.805 -4.183 -5.924 265 1HB SER 37 1HB SER 37 7.677 -1.374 -6.069 266 2HB SER 37 2HB SER 37 9.159 -1.816 -6.899 267 HG SER 37 HG SER 37 7.808 -2.406 -8.388 268 H LEU 38 H LEU 38 10.295 -4.659 -4.213 269 HA LEU 38 HA LEU 38 11.340 -3.259 -2.212 270 1HB LEU 38 1HB LEU 38 11.824 -5.653 -3.214 271 2HB LEU 38 2HB LEU 38 13.132 -4.830 -4.088 272 HG LEU 38 HG LEU 38 13.721 -6.181 -2.057 273 1HD1 LEU 38 1HD1 LEU 38 14.693 -3.363 -2.094 274 2HD1 LEU 38 2HD1 LEU 38 15.221 -4.620 -3.225 275 3HD1 LEU 38 3HD1 LEU 38 15.563 -4.778 -1.486 276 1HD2 LEU 38 1HD2 LEU 38 12.008 -5.337 -0.489 277 2HD2 LEU 38 2HD2 LEU 38 12.783 -3.728 -0.532 278 3HD2 LEU 38 3HD2 LEU 38 13.653 -5.123 0.130 279 H GLU 39 H GLU 39 12.474 -2.972 -5.563 280 HA GLU 39 HA GLU 39 14.621 -1.257 -5.060 281 1HB GLU 39 1HB GLU 39 14.281 -2.726 -6.996 282 2HB GLU 39 2HB GLU 39 12.964 -1.717 -7.571 283 1HG GLU 39 1HG GLU 39 15.671 -0.436 -7.089 284 2HG GLU 39 2HG GLU 39 15.465 -1.548 -8.451 285 H ASN 40 H ASN 40 11.311 -0.652 -6.132 286 HA ASN 40 HA ASN 40 11.543 2.218 -6.396 287 1HB ASN 40 1HB ASN 40 9.035 0.527 -6.468 288 2HB ASN 40 2HB ASN 40 9.295 2.114 -7.203 289 1HD2 ASN 40 1HD2 ASN 40 12.033 1.383 -8.282 290 2HD2 ASN 40 2HD2 ASN 40 11.750 0.280 -9.516 291 H ARG 41 H ARG 41 9.364 3.300 -5.661 292 HA ARG 41 HA ARG 41 8.985 3.043 -2.720 293 1HB ARG 41 1HB ARG 41 8.265 5.344 -2.728 294 2HB ARG 41 2HB ARG 41 9.902 5.193 -3.308 295 1HG ARG 41 1HG ARG 41 7.712 5.253 -5.395 296 2HG ARG 41 2HG ARG 41 7.995 6.707 -4.479 297 1HD ARG 41 1HD ARG 41 10.580 6.176 -5.210 298 2HD ARG 41 2HD ARG 41 9.750 5.304 -6.464 299 HE ARG 41 HE ARG 41 9.369 7.281 -7.527 300 1HH1 ARG 41 1HH1 ARG 41 9.435 8.208 -4.068 301 2HH1 ARG 41 2HH1 ARG 41 9.041 9.869 -4.507 302 1HH2 ARG 41 1HH2 ARG 41 8.877 9.507 -7.841 303 2HH2 ARG 41 2HH2 ARG 41 8.658 10.497 -6.402 304 H SER 42 H SER 42 7.574 1.184 -4.463 305 HA SER 42 HA SER 42 4.757 2.094 -4.167 306 1HB SER 42 1HB SER 42 4.510 1.100 -6.623 307 2HB SER 42 2HB SER 42 4.877 2.784 -6.300 308 HG SER 42 HG SER 42 6.599 0.776 -7.252 309 H ALA 43 H ALA 43 3.133 0.463 -4.452 310 HA ALA 43 HA ALA 43 3.999 -2.327 -3.773 311 1HB ALA 43 1HB ALA 43 3.568 -0.848 -1.715 312 2HB ALA 43 2HB ALA 43 1.923 -0.582 -2.311 313 3HB ALA 43 3HB ALA 43 2.445 -2.218 -1.866 314 H ILE 44 H ILE 44 2.768 -3.854 -4.615 315 HA ILE 44 HA ILE 44 0.276 -3.183 -6.135 316 HB ILE 44 HB ILE 44 2.181 -5.546 -6.421 317 1HG1 ILE 44 1HG1 ILE 44 1.722 -3.193 -8.321 318 2HG1 ILE 44 2HG1 ILE 44 3.117 -3.331 -7.261 319 1HG2 ILE 44 1HG2 ILE 44 0.758 -6.132 -8.367 320 2HG2 ILE 44 2HG2 ILE 44 -0.209 -6.081 -6.903 321 3HG2 ILE 44 3HG2 ILE 44 -0.281 -4.725 -8.049 322 1HD1 ILE 44 1HD1 ILE 44 3.738 -5.477 -8.398 323 2HD1 ILE 44 2HD1 ILE 44 2.422 -5.189 -9.568 324 3HD1 ILE 44 3HD1 ILE 44 3.770 -4.047 -9.450 325 H VAL 45 H VAL 45 -1.496 -3.788 -5.027 326 HA VAL 45 HA VAL 45 -1.217 -5.669 -2.693 327 HB VAL 45 HB VAL 45 -2.984 -3.217 -2.845 328 1HG1 VAL 45 1HG1 VAL 45 -2.010 -4.978 -0.532 329 2HG1 VAL 45 2HG1 VAL 45 -2.964 -3.500 -0.323 330 3HG1 VAL 45 3HG1 VAL 45 -3.670 -4.882 -1.160 331 1HG2 VAL 45 1HG2 VAL 45 -0.235 -3.340 -1.557 332 2HG2 VAL 45 2HG2 VAL 45 -0.681 -2.371 -2.974 333 3HG2 VAL 45 3HG2 VAL 45 -1.407 -2.008 -1.417 334 H VAL 46 H VAL 46 -2.910 -7.096 -2.328 335 HA VAL 46 HA VAL 46 -4.995 -7.297 -4.467 336 HB VAL 46 HB VAL 46 -3.401 -9.489 -3.098 337 1HG1 VAL 46 1HG1 VAL 46 -5.595 -10.275 -3.890 338 2HG1 VAL 46 2HG1 VAL 46 -5.178 -9.747 -5.541 339 3HG1 VAL 46 3HG1 VAL 46 -4.236 -11.029 -4.729 340 1HG2 VAL 46 1HG2 VAL 46 -2.217 -9.856 -5.246 341 2HG2 VAL 46 2HG2 VAL 46 -2.911 -8.342 -5.859 342 3HG2 VAL 46 3HG2 VAL 46 -1.810 -8.330 -4.469 343 H TYR 47 H TYR 47 -7.042 -7.200 -3.552 344 HA TYR 47 HA TYR 47 -7.361 -8.016 -0.697 345 1HB TYR 47 1HB TYR 47 -8.422 -5.960 -0.119 346 2HB TYR 47 2HB TYR 47 -6.855 -5.614 -0.794 347 HD1 TYR 47 HD1 TYR 47 -10.423 -5.080 -1.140 348 HD2 TYR 47 HD2 TYR 47 -6.651 -4.732 -3.169 349 HE1 TYR 47 HE1 TYR 47 -11.438 -3.474 -2.770 350 HE2 TYR 47 HE2 TYR 47 -7.636 -3.066 -4.736 351 HH TYR 47 HH TYR 47 -11.067 -2.049 -4.503 352 H ASN 48 H ASN 48 -9.546 -8.431 0.046 353 HA ASN 48 HA ASN 48 -10.889 -9.844 -2.165 354 1HB ASN 48 1HB ASN 48 -10.010 -10.981 -0.023 355 2HB ASN 48 2HB ASN 48 -11.344 -10.230 0.840 356 1HD2 ASN 48 1HD2 ASN 48 -10.441 -12.513 -1.713 357 2HD2 ASN 48 2HD2 ASN 48 -11.972 -13.398 -1.708 358 H ALA 49 H ALA 49 -11.847 -7.888 -2.982 359 HA ALA 49 HA ALA 49 -14.582 -7.450 -2.016 360 1HB ALA 49 1HB ALA 49 -12.571 -5.183 -1.929 361 2HB ALA 49 2HB ALA 49 -14.286 -5.100 -1.442 362 3HB ALA 49 3HB ALA 49 -13.142 -6.037 -0.488 363 H SER 50 H SER 50 -15.026 -5.042 -3.282 364 HA SER 50 HA SER 50 -14.026 -4.589 -5.872 365 1HB SER 50 1HB SER 50 -16.416 -6.455 -5.776 366 2HB SER 50 2HB SER 50 -16.205 -5.282 -7.081 367 HG SER 50 HG SER 50 -14.222 -7.164 -6.292 368 H SER 51 H SER 51 -17.183 -4.662 -4.056 369 HA SER 51 HA SER 51 -17.930 -2.004 -4.932 370 1HB SER 51 1HB SER 51 -19.815 -2.377 -3.364 371 2HB SER 51 2HB SER 51 -19.587 -3.723 -4.494 372 HG SER 51 HG SER 51 -18.882 -3.557 -1.767 373 H VAL 52 H VAL 52 -15.523 -1.462 -4.098 374 HA VAL 52 HA VAL 52 -15.829 0.404 -1.922 375 HB VAL 52 HB VAL 52 -15.479 -1.734 -0.617 376 1HG1 VAL 52 1HG1 VAL 52 -13.322 -2.812 -0.554 377 2HG1 VAL 52 2HG1 VAL 52 -13.910 -2.834 -2.228 378 3HG1 VAL 52 3HG1 VAL 52 -12.651 -1.680 -1.739 379 1HG2 VAL 52 1HG2 VAL 52 -13.204 0.254 -0.252 380 2HG2 VAL 52 2HG2 VAL 52 -14.875 0.512 0.300 381 3HG2 VAL 52 3HG2 VAL 52 -13.914 -0.823 0.960 382 H THR 53 H THR 53 -14.023 1.834 -1.767 383 HA THR 53 HA THR 53 -12.690 2.130 -4.328 384 HB THR 53 HB THR 53 -13.681 4.076 -3.528 385 HG1 THR 53 HG1 THR 53 -11.942 5.411 -3.538 386 1HG2 THR 53 1HG2 THR 53 -12.999 5.183 -1.395 387 2HG2 THR 53 2HG2 THR 53 -12.131 3.697 -0.936 388 3HG2 THR 53 3HG2 THR 53 -13.893 3.682 -1.147 389 HA PRO 54 HA PRO 54 -8.608 0.622 -3.030 390 1HB PRO 54 1HB PRO 54 -7.052 1.925 -4.867 391 2HB PRO 54 2HB PRO 54 -8.050 0.491 -5.253 392 1HG PRO 54 1HG PRO 54 -8.762 3.416 -5.652 393 2HG PRO 54 2HG PRO 54 -8.873 2.079 -6.845 394 1HD PRO 54 1HD PRO 54 -11.022 2.880 -5.440 395 2HD PRO 54 2HD PRO 54 -10.746 1.136 -5.726 396 H GLU 55 H GLU 55 -9.728 3.945 -2.982 397 HA GLU 55 HA GLU 55 -7.616 5.327 -1.748 398 1HB GLU 55 1HB GLU 55 -9.865 6.191 -2.514 399 2HB GLU 55 2HB GLU 55 -10.576 5.412 -1.110 400 1HG GLU 55 1HG GLU 55 -10.452 7.661 -0.570 401 2HG GLU 55 2HG GLU 55 -9.169 6.910 0.360 402 H SER 56 H SER 56 -9.450 2.583 -0.504 403 HA SER 56 HA SER 56 -9.066 3.088 2.345 404 1HB SER 56 1HB SER 56 -9.717 0.702 2.542 405 2HB SER 56 2HB SER 56 -10.881 1.644 1.595 406 HG SER 56 HG SER 56 -10.240 0.639 -0.242 407 H LEU 57 H LEU 57 -7.324 1.098 -0.087 408 HA LEU 57 HA LEU 57 -5.339 0.178 1.850 409 1HB LEU 57 1HB LEU 57 -5.266 0.283 -1.179 410 2HB LEU 57 2HB LEU 57 -4.114 -0.570 -0.158 411 HG LEU 57 HG LEU 57 -7.079 -1.224 -0.521 412 1HD1 LEU 57 1HD1 LEU 57 -5.783 -3.394 -1.434 413 2HD1 LEU 57 2HD1 LEU 57 -4.461 -2.238 -1.636 414 3HD1 LEU 57 3HD1 LEU 57 -5.986 -1.951 -2.474 415 1HD2 LEU 57 1HD2 LEU 57 -6.340 -1.880 1.760 416 2HD2 LEU 57 2HD2 LEU 57 -4.973 -2.789 1.078 417 3HD2 LEU 57 3HD2 LEU 57 -6.637 -3.305 0.747 418 H ARG 58 H ARG 58 -5.442 2.783 -0.616 419 HA ARG 58 HA ARG 58 -2.898 3.906 -0.338 420 1HB ARG 58 1HB ARG 58 -4.655 4.602 -1.942 421 2HB ARG 58 2HB ARG 58 -5.651 5.138 -0.636 422 1HG ARG 58 1HG ARG 58 -3.537 6.671 -0.078 423 2HG ARG 58 2HG ARG 58 -3.215 6.456 -1.805 424 1HD ARG 58 1HD ARG 58 -5.239 7.519 -2.414 425 2HD ARG 58 2HD ARG 58 -5.963 7.239 -0.817 426 HE ARG 58 HE ARG 58 -3.965 8.838 -0.070 427 1HH1 ARG 58 1HH1 ARG 58 -6.627 9.263 -2.310 428 2HH1 ARG 58 2HH1 ARG 58 -6.489 10.980 -2.312 429 1HH2 ARG 58 1HH2 ARG 58 -4.026 10.857 0.192 430 2HH2 ARG 58 2HH2 ARG 58 -4.950 11.954 -0.850 431 H LYS 59 H LYS 59 -5.858 4.687 1.610 432 HA LYS 59 HA LYS 59 -4.483 6.319 3.519 433 1HB LYS 59 1HB LYS 59 -7.192 5.067 3.223 434 2HB LYS 59 2HB LYS 59 -6.698 5.508 4.829 435 1HG LYS 59 1HG LYS 59 -7.956 7.312 3.694 436 2HG LYS 59 2HG LYS 59 -6.358 7.802 4.264 437 1HD LYS 59 1HD LYS 59 -5.470 7.653 1.949 438 2HD LYS 59 2HD LYS 59 -7.028 7.077 1.386 439 1HE LYS 59 1HE LYS 59 -6.785 9.393 0.825 440 2HE LYS 59 2HE LYS 59 -8.084 9.220 1.997 441 1HZ LYS 59 1HZ LYS 59 -6.505 9.949 3.711 442 2HZ LYS 59 2HZ LYS 59 -6.518 11.074 2.492 443 3HZ LYS 59 3HZ LYS 59 -5.288 9.978 2.674 444 H ALA 60 H ALA 60 -4.873 2.745 3.500 445 HA ALA 60 HA ALA 60 -3.872 2.458 6.229 446 1HB ALA 60 1HB ALA 60 -3.539 0.128 5.579 447 2HB ALA 60 2HB ALA 60 -5.161 0.680 5.103 448 3HB ALA 60 3HB ALA 60 -3.876 0.513 3.879 449 H ILE 61 H ILE 61 -2.330 2.694 3.013 450 HA ILE 61 HA ILE 61 0.345 2.385 3.970 451 HB ILE 61 HB ILE 61 -0.616 3.952 1.522 452 1HG1 ILE 61 1HG1 ILE 61 0.368 1.103 1.700 453 2HG1 ILE 61 2HG1 ILE 61 -1.279 1.574 1.393 454 1HG2 ILE 61 1HG2 ILE 61 1.635 4.586 2.082 455 2HG2 ILE 61 2HG2 ILE 61 2.121 2.881 2.269 456 3HG2 ILE 61 3HG2 ILE 61 1.695 3.574 0.690 457 1HD1 ILE 61 1HD1 ILE 61 1.030 1.897 -0.513 458 2HD1 ILE 61 2HD1 ILE 61 -0.487 1.020 -0.724 459 3HD1 ILE 61 3HD1 ILE 61 -0.494 2.797 -0.696 460 H GLU 62 H GLU 62 -1.528 5.413 3.307 461 HA GLU 62 HA GLU 62 0.316 7.276 4.258 462 1HB GLU 62 1HB GLU 62 -2.701 7.203 4.655 463 2HB GLU 62 2HB GLU 62 -1.662 8.577 5.017 464 1HG GLU 62 1HG GLU 62 -1.102 8.911 2.703 465 2HG GLU 62 2HG GLU 62 -1.984 7.447 2.230 466 H ALA 63 H ALA 63 -1.682 5.011 6.177 467 HA ALA 63 HA ALA 63 -1.281 6.449 8.677 468 1HB ALA 63 1HB ALA 63 -2.508 3.722 8.081 469 2HB ALA 63 2HB ALA 63 -2.651 4.622 9.604 470 3HB ALA 63 3HB ALA 63 -3.389 5.270 8.127 471 H VAL 64 H VAL 64 0.918 4.833 7.065 472 HA VAL 64 HA VAL 64 2.179 3.513 9.412 473 HB VAL 64 HB VAL 64 1.967 2.410 7.003 474 1HG1 VAL 64 1HG1 VAL 64 4.668 3.583 6.553 475 2HG1 VAL 64 2HG1 VAL 64 3.655 2.525 5.533 476 3HG1 VAL 64 3HG1 VAL 64 3.159 4.201 5.847 477 1HG2 VAL 64 1HG2 VAL 64 4.618 2.387 8.556 478 2HG2 VAL 64 2HG2 VAL 64 3.167 1.527 9.123 479 3HG2 VAL 64 3HG2 VAL 64 3.930 1.043 7.592 480 H SER 65 H SER 65 2.660 6.144 7.035 481 HA SER 65 HA SER 65 4.356 7.397 9.074 482 1HB SER 65 1HB SER 65 5.485 7.865 6.397 483 2HB SER 65 2HB SER 65 6.172 7.738 8.001 484 HG SER 65 HG SER 65 6.968 6.143 6.879 485 HA PRO 66 HA PRO 66 0.885 9.801 7.153 486 1HB PRO 66 1HB PRO 66 -0.267 10.727 9.535 487 2HB PRO 66 2HB PRO 66 -0.707 9.232 8.659 488 1HG PRO 66 1HG PRO 66 1.221 9.536 10.982 489 2HG PRO 66 2HG PRO 66 -0.078 8.312 10.763 490 1HD PRO 66 1HD PRO 66 2.441 7.612 10.148 491 2HD PRO 66 2HD PRO 66 1.160 7.205 9.041 492 H GLY 67 H GLY 67 0.831 11.893 6.612 493 1HA GLY 67 1HA GLY 67 1.289 14.199 6.631 494 2HA GLY 67 2HA GLY 67 2.282 13.993 8.096 495 H LEU 68 H LEU 68 3.723 11.729 6.689 496 HA LEU 68 HA LEU 68 5.657 13.315 5.041 497 1HB LEU 68 1HB LEU 68 6.592 12.354 6.988 498 2HB LEU 68 2HB LEU 68 5.776 10.821 6.757 499 HG LEU 68 HG LEU 68 7.208 10.193 4.948 500 1HD1 LEU 68 1HD1 LEU 68 7.656 12.352 3.830 501 2HD1 LEU 68 2HD1 LEU 68 9.165 11.548 4.264 502 3HD1 LEU 68 3HD1 LEU 68 8.570 12.911 5.248 503 1HD2 LEU 68 1HD2 LEU 68 7.937 9.846 7.293 504 2HD2 LEU 68 2HD2 LEU 68 8.795 11.399 7.253 505 3HD2 LEU 68 3HD2 LEU 68 9.324 10.063 6.206 506 H TYR 69 H TYR 69 3.859 10.216 5.089 507 HA TYR 69 HA TYR 69 4.659 9.326 2.527 508 1HB TYR 69 1HB TYR 69 2.587 8.556 4.559 509 2HB TYR 69 2HB TYR 69 2.318 8.041 2.926 510 HD1 TYR 69 HD1 TYR 69 2.367 5.758 3.574 511 HD2 TYR 69 HD2 TYR 69 5.850 8.220 4.128 512 HE1 TYR 69 HE1 TYR 69 3.753 3.748 3.571 513 HE2 TYR 69 HE2 TYR 69 7.189 6.157 4.476 514 HH TYR 69 HH TYR 69 5.684 2.920 4.105 515 H ARG 70 H ARG 70 4.476 10.643 0.836 516 HA ARG 70 HA ARG 70 1.993 11.868 -0.055 517 1HB ARG 70 1HB ARG 70 4.669 11.233 -1.247 518 2HB ARG 70 2HB ARG 70 3.402 12.032 -2.164 519 1HG ARG 70 1HG ARG 70 3.679 13.579 0.136 520 2HG ARG 70 2HG ARG 70 5.337 13.085 -0.208 521 1HD ARG 70 1HD ARG 70 4.943 13.912 -2.602 522 2HD ARG 70 2HD ARG 70 3.338 14.418 -2.056 523 HE ARG 70 HE ARG 70 4.352 16.129 -0.717 524 1HH1 ARG 70 1HH1 ARG 70 6.868 14.450 -2.681 525 2HH1 ARG 70 2HH1 ARG 70 8.062 15.579 -2.210 526 1HH2 ARG 70 1HH2 ARG 70 5.967 17.618 -0.305 527 2HH2 ARG 70 2HH2 ARG 70 7.560 17.367 -0.961 528 H VAL 71 H VAL 71 0.758 9.844 0.215 529 HA VAL 71 HA VAL 71 1.274 7.698 -1.742 530 HB VAL 71 HB VAL 71 -1.207 7.705 -0.024 531 1HG1 VAL 71 1HG1 VAL 71 -0.982 5.261 -0.251 532 2HG1 VAL 71 2HG1 VAL 71 -1.010 5.976 -1.855 533 3HG1 VAL 71 3HG1 VAL 71 0.529 5.450 -1.163 534 1HG2 VAL 71 1HG2 VAL 71 0.135 6.337 1.600 535 2HG2 VAL 71 2HG2 VAL 71 1.610 6.829 0.745 536 3HG2 VAL 71 3HG2 VAL 71 0.596 8.036 1.542 537 H SER 72 H SER 72 0.473 7.299 -3.594 538 HA SER 72 HA SER 72 -2.150 8.416 -4.452 539 1HB SER 72 1HB SER 72 0.582 8.831 -5.724 540 2HB SER 72 2HB SER 72 -0.933 9.023 -6.601 541 HG SER 72 HG SER 72 -0.329 10.369 -4.179 542 H ILE 73 H ILE 73 -2.763 7.405 -6.597 543 HA ILE 73 HA ILE 73 -2.047 4.484 -6.776 544 HB ILE 73 HB ILE 73 -4.468 6.071 -7.755 545 1HG1 ILE 73 1HG1 ILE 73 -4.265 3.989 -5.548 546 2HG1 ILE 73 2HG1 ILE 73 -4.411 5.721 -5.263 547 1HG2 ILE 73 1HG2 ILE 73 -3.986 3.056 -7.860 548 2HG2 ILE 73 2HG2 ILE 73 -5.418 3.918 -8.450 549 3HG2 ILE 73 3HG2 ILE 73 -3.884 4.151 -9.258 550 1HD1 ILE 73 1HD1 ILE 73 -6.560 4.741 -4.926 551 2HD1 ILE 73 2HD1 ILE 73 -6.630 5.705 -6.415 552 3HD1 ILE 73 3HD1 ILE 73 -6.521 3.927 -6.496 553 H THR 74 H THR 74 -0.993 3.790 -8.491 554 HA THR 74 HA THR 74 -0.849 5.554 -10.895 555 HB THR 74 HB THR 74 1.282 5.497 -9.857 556 HG1 THR 74 HG1 THR 74 2.279 4.997 -11.774 557 1HG2 THR 74 1HG2 THR 74 2.705 3.547 -9.690 558 2HG2 THR 74 2HG2 THR 74 1.406 2.487 -10.270 559 3HG2 THR 74 3HG2 THR 74 1.261 3.303 -8.694 560 H SER 75 H SER 75 -2.136 4.816 -12.351 561 HA SER 75 HA SER 75 -2.202 2.039 -13.234 562 1HB SER 75 1HB SER 75 -4.522 3.213 -11.661 563 2HB SER 75 2HB SER 75 -4.715 1.852 -12.777 564 HG SER 75 HG SER 75 -2.658 1.719 -10.874 565 H GLU 76 H GLU 76 -3.631 1.701 -15.044 566 HA GLU 76 HA GLU 76 -3.271 3.737 -16.984 567 1HB GLU 76 1HB GLU 76 -3.150 1.087 -16.825 568 2HB GLU 76 2HB GLU 76 -4.779 1.149 -17.449 569 1HG GLU 76 1HG GLU 76 -4.002 2.208 -19.493 570 2HG GLU 76 2HG GLU 76 -2.412 2.545 -18.781 571 H VAL 77 H VAL 77 -4.998 4.927 -15.340 572 HA VAL 77 HA VAL 77 -7.791 4.316 -15.891 573 HB VAL 77 HB VAL 77 -6.925 6.700 -14.230 574 1HG1 VAL 77 1HG1 VAL 77 -9.022 6.178 -13.008 575 2HG1 VAL 77 2HG1 VAL 77 -9.395 6.431 -14.710 576 3HG1 VAL 77 3HG1 VAL 77 -9.316 4.785 -14.067 577 1HG2 VAL 77 1HG2 VAL 77 -7.049 3.776 -13.373 578 2HG2 VAL 77 2HG2 VAL 77 -5.656 4.876 -13.269 579 3HG2 VAL 77 3HG2 VAL 77 -7.054 5.153 -12.249 Start of MODEL 9 1 1H ASN 1 1HT ASN 1 -14.709 -12.575 -6.063 2 HA ASN 1 HA ASN 1 -12.128 -14.040 -6.085 3 1HB ASN 1 1HB ASN 1 -13.285 -12.271 -8.297 4 2HB ASN 1 2HB ASN 1 -11.560 -12.573 -8.111 5 1HD2 ASN 1 1HD2 ASN 1 -13.270 -15.457 -7.306 6 2HD2 ASN 1 2HD2 ASN 1 -13.058 -16.193 -8.895 7 H ASP 2 H ASP 2 -10.353 -12.618 -5.648 8 HA ASP 2 HA ASP 2 -11.006 -10.184 -4.223 9 1HB ASP 2 1HB ASP 2 -8.452 -10.123 -3.931 10 2HB ASP 2 2HB ASP 2 -9.419 -11.259 -3.037 11 H SER 3 H SER 3 -9.858 -8.304 -4.558 12 HA SER 3 HA SER 3 -9.734 -7.376 -7.377 13 1HB SER 3 1HB SER 3 -11.447 -6.403 -5.794 14 2HB SER 3 2HB SER 3 -10.143 -5.833 -4.772 15 HG SER 3 HG SER 3 -11.204 -4.444 -6.480 16 H THR 4 H THR 4 -8.292 -5.157 -7.182 17 HA THR 4 HA THR 4 -5.778 -5.436 -5.788 18 HB THR 4 HB THR 4 -5.995 -6.475 -8.608 19 HG1 THR 4 HG1 THR 4 -5.841 -7.635 -6.501 20 1HG2 THR 4 1HG2 THR 4 -3.516 -6.428 -8.789 21 2HG2 THR 4 2HG2 THR 4 -3.429 -5.376 -7.362 22 3HG2 THR 4 3HG2 THR 4 -4.200 -4.800 -8.867 23 H ALA 5 H ALA 5 -4.478 -3.685 -5.997 24 HA ALA 5 HA ALA 5 -4.946 -1.646 -8.010 25 1HB ALA 5 1HB ALA 5 -6.639 -0.928 -6.466 26 2HB ALA 5 2HB ALA 5 -5.569 -1.158 -5.075 27 3HB ALA 5 3HB ALA 5 -5.255 0.163 -6.217 28 H THR 6 H THR 6 -3.339 0.114 -7.852 29 HA THR 6 HA THR 6 -0.793 -0.694 -6.522 30 HB THR 6 HB THR 6 -1.075 0.711 -9.189 31 HG1 THR 6 HG1 THR 6 -0.237 -1.939 -8.614 32 1HG2 THR 6 1HG2 THR 6 0.991 1.297 -8.092 33 2HG2 THR 6 2HG2 THR 6 1.359 0.132 -9.376 34 3HG2 THR 6 3HG2 THR 6 1.314 -0.403 -7.673 35 H PHE 7 H PHE 7 0.273 0.788 -5.519 36 HA PHE 7 HA PHE 7 -0.668 3.593 -5.468 37 1HB PHE 7 1HB PHE 7 -0.058 2.061 -2.933 38 2HB PHE 7 2HB PHE 7 -0.777 3.660 -3.102 39 HD1 PHE 7 HD1 PHE 7 -3.156 3.966 -3.144 40 HD2 PHE 7 HD2 PHE 7 -1.512 -0.022 -3.681 41 HE1 PHE 7 HE1 PHE 7 -5.414 2.986 -3.130 42 HE2 PHE 7 HE2 PHE 7 -3.750 -0.941 -3.696 43 HZ PHE 7 HZ PHE 7 -5.739 0.544 -3.388 44 H ILE 8 H ILE 8 0.923 5.110 -4.888 45 HA ILE 8 HA ILE 8 3.708 4.111 -4.579 46 HB ILE 8 HB ILE 8 2.998 4.631 -6.966 47 1HG1 ILE 8 1HG1 ILE 8 5.165 6.571 -6.043 48 2HG1 ILE 8 2HG1 ILE 8 5.352 4.838 -5.822 49 1HG2 ILE 8 1HG2 ILE 8 1.528 6.562 -6.585 50 2HG2 ILE 8 2HG2 ILE 8 2.922 7.542 -6.076 51 3HG2 ILE 8 3HG2 ILE 8 2.812 6.930 -7.736 52 1HD1 ILE 8 1HD1 ILE 8 5.114 4.383 -8.176 53 2HD1 ILE 8 2HD1 ILE 8 4.899 6.123 -8.523 54 3HD1 ILE 8 3HD1 ILE 8 6.442 5.518 -7.876 55 H ILE 9 H ILE 9 5.025 5.176 -3.277 56 HA ILE 9 HA ILE 9 3.851 7.387 -1.705 57 HB ILE 9 HB ILE 9 5.903 5.361 -0.717 58 1HG1 ILE 9 1HG1 ILE 9 4.025 4.297 0.535 59 2HG1 ILE 9 2HG1 ILE 9 2.906 4.984 -0.587 60 1HG2 ILE 9 1HG2 ILE 9 5.533 7.596 0.439 61 2HG2 ILE 9 2HG2 ILE 9 3.852 7.112 0.707 62 3HG2 ILE 9 3HG2 ILE 9 5.195 6.183 1.427 63 1HD1 ILE 9 1HD1 ILE 9 5.265 3.106 -1.131 64 2HD1 ILE 9 2HD1 ILE 9 3.600 2.569 -0.839 65 3HD1 ILE 9 3HD1 ILE 9 3.964 3.485 -2.308 66 H ASP 10 H ASP 10 4.836 9.163 -2.618 67 HA ASP 10 HA ASP 10 7.778 9.190 -2.797 68 1HB ASP 10 1HB ASP 10 5.609 10.723 -3.881 69 2HB ASP 10 2HB ASP 10 6.710 11.810 -3.137 70 H GLY 11 H GLY 11 8.703 8.943 -0.979 71 1HA GLY 11 1HA GLY 11 9.639 10.610 0.793 72 2HA GLY 11 2HA GLY 11 7.986 10.610 1.416 73 H MET 12 H MET 12 8.332 7.485 0.409 74 HA MET 12 HA MET 12 8.716 6.540 3.088 75 1HB MET 12 1HB MET 12 8.154 4.463 2.295 76 2HB MET 12 2HB MET 12 7.439 5.438 1.094 77 1HG MET 12 1HG MET 12 9.402 5.080 -0.398 78 2HG MET 12 2HG MET 12 10.103 4.042 0.842 79 1HE MET 12 1HE MET 12 10.314 1.756 0.156 80 2HE MET 12 2HE MET 12 9.413 1.077 -1.223 81 3HE MET 12 3HE MET 12 10.353 2.571 -1.415 82 H HIS 13 H HIS 13 10.413 5.594 4.126 83 HA HIS 13 HA HIS 13 13.106 6.266 3.478 84 1HB HIS 13 1HB HIS 13 12.141 4.149 5.397 85 2HB HIS 13 2HB HIS 13 13.680 4.991 5.455 86 HD1 HIS 13 HD1 HIS 13 12.649 5.241 8.092 87 HD2 HIS 13 HD2 HIS 13 11.122 7.704 5.042 88 HE1 HIS 13 HE1 HIS 13 11.432 7.161 9.240 89 H CYS 14 H CYS 14 12.091 4.730 1.273 90 HA CYS 14 HA CYS 14 12.623 3.064 -0.205 91 1HB CYS 14 1HB CYS 14 15.299 3.671 1.065 92 2HB CYS 14 2HB CYS 14 15.075 2.865 -0.515 93 HG CYS 14 HG CYS 14 15.769 5.441 -0.804 94 H LYS 15 H LYS 15 15.151 1.365 0.702 95 HA LYS 15 HA LYS 15 13.955 -1.091 0.615 96 1HB LYS 15 1HB LYS 15 16.565 -0.122 0.767 97 2HB LYS 15 2HB LYS 15 16.418 -0.949 2.308 98 1HG LYS 15 1HG LYS 15 17.163 -2.711 1.035 99 2HG LYS 15 2HG LYS 15 15.430 -2.914 0.784 100 1HD LYS 15 1HD LYS 15 15.882 -1.278 -1.281 101 2HD LYS 15 2HD LYS 15 17.544 -1.791 -1.086 102 1HE LYS 15 1HE LYS 15 17.009 -4.106 -1.537 103 2HE LYS 15 2HE LYS 15 15.289 -3.811 -1.259 104 1HZ LYS 15 1HZ LYS 15 16.794 -2.811 -3.606 105 2HZ LYS 15 2HZ LYS 15 15.227 -2.465 -3.247 106 3HZ LYS 15 3HZ LYS 15 15.625 -3.970 -3.638 107 H SER 16 H SER 16 14.436 0.749 3.656 108 HA SER 16 HA SER 16 13.360 -1.522 5.250 109 1HB SER 16 1HB SER 16 13.973 1.299 6.178 110 2HB SER 16 2HB SER 16 13.809 -0.180 7.150 111 HG SER 16 HG SER 16 16.023 0.250 6.816 112 H CYS 17 H CYS 17 12.047 1.550 3.857 113 HA CYS 17 HA CYS 17 9.640 1.488 5.535 114 1HB CYS 17 1HB CYS 17 10.859 3.170 3.531 115 2HB CYS 17 2HB CYS 17 9.208 2.850 3.112 116 HG CYS 17 HG CYS 17 10.321 3.744 6.156 117 H VAL 18 H VAL 18 10.514 0.104 2.373 118 HA VAL 18 HA VAL 18 8.259 -1.089 1.528 119 HB VAL 18 HB VAL 18 11.000 -2.349 1.991 120 1HG1 VAL 18 1HG1 VAL 18 8.624 -3.612 0.734 121 2HG1 VAL 18 2HG1 VAL 18 10.175 -3.849 -0.068 122 3HG1 VAL 18 3HG1 VAL 18 9.968 -4.324 1.623 123 1HG2 VAL 18 1HG2 VAL 18 11.691 -1.597 -0.055 124 2HG2 VAL 18 2HG2 VAL 18 10.040 -1.386 -0.693 125 3HG2 VAL 18 3HG2 VAL 18 10.704 -0.275 0.480 126 H SER 19 H SER 19 10.303 -2.626 4.070 127 HA SER 19 HA SER 19 8.638 -4.805 4.701 128 1HB SER 19 1HB SER 19 11.048 -4.198 5.485 129 2HB SER 19 2HB SER 19 10.298 -3.129 6.673 130 HG SER 19 HG SER 19 9.231 -5.014 7.536 131 H ASN 20 H ASN 20 8.572 -1.479 6.116 132 HA ASN 20 HA ASN 20 6.507 -1.994 8.043 133 1HB ASN 20 1HB ASN 20 7.046 0.533 6.499 134 2HB ASN 20 2HB ASN 20 6.159 0.465 7.948 135 1HD2 ASN 20 1HD2 ASN 20 8.672 1.871 7.197 136 2HD2 ASN 20 2HD2 ASN 20 9.843 1.383 8.416 137 H ILE 21 H ILE 21 6.371 -0.915 4.627 138 HA ILE 21 HA ILE 21 3.506 -0.398 4.720 139 HB ILE 21 HB ILE 21 4.773 -0.971 2.062 140 1HG1 ILE 21 1HG1 ILE 21 5.903 1.149 3.881 141 2HG1 ILE 21 2HG1 ILE 21 6.579 0.172 2.603 142 1HG2 ILE 21 1HG2 ILE 21 2.885 1.162 3.111 143 2HG2 ILE 21 2HG2 ILE 21 3.261 0.834 1.395 144 3HG2 ILE 21 3HG2 ILE 21 2.408 -0.367 2.349 145 1HD1 ILE 21 1HD1 ILE 21 5.659 1.438 0.819 146 2HD1 ILE 21 2HD1 ILE 21 4.820 2.517 1.949 147 3HD1 ILE 21 3HD1 ILE 21 6.586 2.473 1.917 148 H GLU 22 H GLU 22 5.493 -3.110 3.511 149 HA GLU 22 HA GLU 22 3.395 -4.825 2.686 150 1HB GLU 22 1HB GLU 22 6.196 -5.315 3.779 151 2HB GLU 22 2HB GLU 22 5.154 -6.601 3.229 152 1HG GLU 22 1HG GLU 22 4.992 -4.902 1.057 153 2HG GLU 22 2HG GLU 22 6.573 -4.494 1.656 154 H SER 23 H SER 23 5.049 -4.615 5.921 155 HA SER 23 HA SER 23 3.267 -6.473 7.128 156 1HB SER 23 1HB SER 23 5.485 -5.779 8.031 157 2HB SER 23 2HB SER 23 4.822 -4.171 8.381 158 HG SER 23 HG SER 23 3.155 -5.564 9.626 159 H THR 24 H THR 24 2.883 -2.932 6.899 160 HA THR 24 HA THR 24 0.685 -2.894 8.809 161 HB THR 24 HB THR 24 1.642 -0.724 6.859 162 HG1 THR 24 HG1 THR 24 3.171 -1.218 8.310 163 1HG2 THR 24 1HG2 THR 24 0.504 0.824 8.429 164 2HG2 THR 24 2HG2 THR 24 -0.184 -0.563 9.302 165 3HG2 THR 24 3HG2 THR 24 -0.656 -0.236 7.616 166 H LEU 25 H LEU 25 0.987 -2.993 5.298 167 HA LEU 25 HA LEU 25 -1.890 -2.902 4.891 168 1HB LEU 25 1HB LEU 25 0.488 -3.626 3.185 169 2HB LEU 25 2HB LEU 25 -1.137 -3.786 2.580 170 HG LEU 25 HG LEU 25 0.258 -1.598 2.064 171 1HD1 LEU 25 1HD1 LEU 25 -1.893 -0.395 1.786 172 2HD1 LEU 25 2HD1 LEU 25 -2.698 -1.626 2.776 173 3HD1 LEU 25 3HD1 LEU 25 -1.948 -2.067 1.223 174 1HD2 LEU 25 1HD2 LEU 25 -0.362 0.325 3.484 175 2HD2 LEU 25 2HD2 LEU 25 0.653 -0.787 4.380 176 3HD2 LEU 25 3HD2 LEU 25 -1.102 -0.737 4.664 177 H SER 26 H SER 26 0.554 -5.609 4.925 178 HA SER 26 HA SER 26 -1.518 -7.460 4.047 179 1HB SER 26 1HB SER 26 1.073 -7.542 3.713 180 2HB SER 26 2HB SER 26 1.117 -8.248 5.292 181 HG SER 26 HG SER 26 0.881 -9.939 3.858 182 H ALA 27 H ALA 27 -1.689 -5.969 6.774 183 HA ALA 27 HA ALA 27 -2.379 -8.306 8.521 184 1HB ALA 27 1HB ALA 27 -1.774 -5.385 9.212 185 2HB ALA 27 2HB ALA 27 -2.190 -6.663 10.374 186 3HB ALA 27 3HB ALA 27 -0.671 -6.755 9.456 187 H LEU 28 H LEU 28 -3.772 -6.056 6.357 188 HA LEU 28 HA LEU 28 -5.898 -5.168 8.089 189 1HB LEU 28 1HB LEU 28 -5.551 -4.951 5.078 190 2HB LEU 28 2HB LEU 28 -6.754 -4.091 6.037 191 HG LEU 28 HG LEU 28 -3.779 -3.761 6.584 192 1HD1 LEU 28 1HD1 LEU 28 -5.365 -1.859 4.846 193 2HD1 LEU 28 2HD1 LEU 28 -4.390 -3.186 4.149 194 3HD1 LEU 28 3HD1 LEU 28 -3.645 -1.928 5.134 195 1HD2 LEU 28 1HD2 LEU 28 -6.196 -2.013 7.137 196 2HD2 LEU 28 2HD2 LEU 28 -4.488 -1.609 7.494 197 3HD2 LEU 28 3HD2 LEU 28 -5.278 -2.956 8.337 198 H GLN 29 H GLN 29 -7.766 -6.216 8.503 199 HA GLN 29 HA GLN 29 -8.249 -8.841 7.678 200 1HB GLN 29 1HB GLN 29 -10.156 -6.741 8.790 201 2HB GLN 29 2HB GLN 29 -10.549 -8.461 8.677 202 1HG GLN 29 1HG GLN 29 -8.792 -9.074 10.213 203 2HG GLN 29 2HG GLN 29 -8.112 -7.443 10.208 204 1HE2 GLN 29 1HE2 GLN 29 -10.961 -9.349 11.319 205 2HE2 GLN 29 2HE2 GLN 29 -11.408 -8.113 12.501 206 H TYR 30 H TYR 30 -8.896 -6.125 5.696 207 HA TYR 30 HA TYR 30 -10.748 -7.701 3.983 208 1HB TYR 30 1HB TYR 30 -10.789 -5.564 2.638 209 2HB TYR 30 2HB TYR 30 -11.577 -5.560 4.207 210 HD1 TYR 30 HD1 TYR 30 -7.942 -4.849 3.139 211 HD2 TYR 30 HD2 TYR 30 -11.474 -3.501 5.249 212 HE1 TYR 30 HE1 TYR 30 -6.836 -2.777 3.678 213 HE2 TYR 30 HE2 TYR 30 -10.290 -1.406 5.856 214 HH TYR 30 HH TYR 30 -6.967 -0.683 4.713 215 H VAL 31 H VAL 31 -7.308 -7.387 4.191 216 HA VAL 31 HA VAL 31 -7.075 -7.209 1.225 217 HB VAL 31 HB VAL 31 -5.686 -5.624 2.646 218 1HG1 VAL 31 1HG1 VAL 31 -4.910 -6.994 4.288 219 2HG1 VAL 31 2HG1 VAL 31 -4.146 -8.130 3.110 220 3HG1 VAL 31 3HG1 VAL 31 -3.565 -6.459 3.259 221 1HG2 VAL 31 1HG2 VAL 31 -4.053 -7.435 0.798 222 2HG2 VAL 31 2HG2 VAL 31 -5.112 -6.109 0.213 223 3HG2 VAL 31 3HG2 VAL 31 -3.703 -5.771 1.219 224 H SER 32 H SER 32 -6.156 -8.841 0.031 225 HA SER 32 HA SER 32 -6.235 -11.575 1.236 226 1HB SER 32 1HB SER 32 -7.736 -10.972 -0.652 227 2HB SER 32 2HB SER 32 -6.326 -10.569 -1.631 228 HG SER 32 HG SER 32 -6.801 -12.580 -2.201 229 H SER 33 H SER 33 -4.094 -9.259 -0.382 230 HA SER 33 HA SER 33 -1.639 -10.625 0.221 231 1HB SER 33 1HB SER 33 -2.980 -11.165 -2.382 232 2HB SER 33 2HB SER 33 -1.264 -10.977 -2.438 233 HG SER 33 HG SER 33 -2.691 -12.694 -0.661 234 H ILE 34 H ILE 34 0.139 -9.723 -1.218 235 HA ILE 34 HA ILE 34 0.035 -7.100 -2.317 236 HB ILE 34 HB ILE 34 -0.535 -6.358 -0.084 237 1HG1 ILE 34 1HG1 ILE 34 2.406 -5.689 -0.493 238 2HG1 ILE 34 2HG1 ILE 34 1.084 -4.982 -1.431 239 1HG2 ILE 34 1HG2 ILE 34 1.999 -7.683 0.966 240 2HG2 ILE 34 2HG2 ILE 34 0.797 -6.746 1.876 241 3HG2 ILE 34 3HG2 ILE 34 0.350 -8.305 1.213 242 1HD1 ILE 34 1HD1 ILE 34 1.721 -3.458 0.334 243 2HD1 ILE 34 2HD1 ILE 34 0.099 -4.100 0.682 244 3HD1 ILE 34 3HD1 ILE 34 1.511 -4.712 1.563 245 H VAL 35 H VAL 35 1.965 -6.408 -3.068 246 HA VAL 35 HA VAL 35 4.521 -7.654 -2.261 247 HB VAL 35 HB VAL 35 3.469 -7.573 -5.115 248 1HG1 VAL 35 1HG1 VAL 35 5.774 -8.133 -5.919 249 2HG1 VAL 35 2HG1 VAL 35 5.643 -6.480 -5.328 250 3HG1 VAL 35 3HG1 VAL 35 6.406 -7.725 -4.311 251 1HG2 VAL 35 1HG2 VAL 35 4.920 -9.616 -3.378 252 2HG2 VAL 35 2HG2 VAL 35 3.215 -9.709 -3.895 253 3HG2 VAL 35 3HG2 VAL 35 4.505 -9.912 -5.090 254 H VAL 36 H VAL 36 5.908 -6.092 -1.874 255 HA VAL 36 HA VAL 36 5.564 -3.406 -3.233 256 HB VAL 36 HB VAL 36 6.960 -4.235 -0.676 257 1HG1 VAL 36 1HG1 VAL 36 7.594 -1.840 -0.401 258 2HG1 VAL 36 2HG1 VAL 36 8.529 -2.716 -1.609 259 3HG1 VAL 36 3HG1 VAL 36 7.252 -1.577 -2.119 260 1HG2 VAL 36 1HG2 VAL 36 4.495 -3.570 -0.682 261 2HG2 VAL 36 2HG2 VAL 36 5.564 -2.548 0.329 262 3HG2 VAL 36 3HG2 VAL 36 5.039 -1.979 -1.266 263 H SER 37 H SER 37 7.189 -2.435 -4.349 264 HA SER 37 HA SER 37 9.458 -4.154 -5.250 265 1HB SER 37 1HB SER 37 8.433 -2.237 -6.757 266 2HB SER 37 2HB SER 37 9.249 -1.216 -5.616 267 HG SER 37 HG SER 37 11.032 -3.139 -6.433 268 H LEU 38 H LEU 38 10.703 -4.522 -3.623 269 HA LEU 38 HA LEU 38 11.581 -3.094 -1.461 270 1HB LEU 38 1HB LEU 38 12.470 -5.365 -3.120 271 2HB LEU 38 2HB LEU 38 13.816 -4.528 -2.422 272 HG LEU 38 HG LEU 38 11.418 -5.500 -0.812 273 1HD1 LEU 38 1HD1 LEU 38 12.580 -7.414 -1.789 274 2HD1 LEU 38 2HD1 LEU 38 12.855 -7.332 -0.038 275 3HD1 LEU 38 3HD1 LEU 38 14.137 -6.818 -1.162 276 1HD2 LEU 38 1HD2 LEU 38 12.863 -3.618 0.196 277 2HD2 LEU 38 2HD2 LEU 38 14.208 -4.768 0.179 278 3HD2 LEU 38 3HD2 LEU 38 12.770 -5.103 1.157 279 H GLU 39 H GLU 39 12.502 -2.476 -4.741 280 HA GLU 39 HA GLU 39 14.583 -0.551 -4.062 281 1HB GLU 39 1HB GLU 39 14.822 -0.713 -6.607 282 2HB GLU 39 2HB GLU 39 15.568 -1.838 -5.506 283 1HG GLU 39 1HG GLU 39 13.210 -2.288 -7.340 284 2HG GLU 39 2HG GLU 39 14.846 -2.957 -7.408 285 H ASN 40 H ASN 40 11.477 -0.708 -5.662 286 HA ASN 40 HA ASN 40 11.656 2.147 -6.436 287 1HB ASN 40 1HB ASN 40 9.590 0.072 -7.143 288 2HB ASN 40 2HB ASN 40 9.323 1.755 -7.412 289 1HD2 ASN 40 1HD2 ASN 40 11.519 -0.949 -8.069 290 2HD2 ASN 40 2HD2 ASN 40 12.520 -0.068 -9.216 291 H ARG 41 H ARG 41 9.158 3.167 -5.923 292 HA ARG 41 HA ARG 41 8.836 2.847 -2.989 293 1HB ARG 41 1HB ARG 41 8.420 5.066 -2.569 294 2HB ARG 41 2HB ARG 41 9.979 4.933 -3.331 295 1HG ARG 41 1HG ARG 41 7.467 5.885 -4.802 296 2HG ARG 41 2HG ARG 41 8.568 6.919 -3.904 297 1HD ARG 41 1HD ARG 41 10.429 5.958 -5.418 298 2HD ARG 41 2HD ARG 41 9.087 5.505 -6.499 299 HE ARG 41 HE ARG 41 8.479 8.098 -5.858 300 1HH1 ARG 41 1HH1 ARG 41 11.533 6.840 -7.118 301 2HH1 ARG 41 2HH1 ARG 41 12.147 8.450 -7.389 302 1HH2 ARG 41 1HH2 ARG 41 9.291 10.040 -6.152 303 2HH2 ARG 41 2HH2 ARG 41 10.846 10.283 -6.883 304 H SER 42 H SER 42 7.424 1.190 -4.620 305 HA SER 42 HA SER 42 4.658 2.168 -4.232 306 1HB SER 42 1HB SER 42 4.231 1.086 -6.591 307 2HB SER 42 2HB SER 42 4.820 2.736 -6.471 308 HG SER 42 HG SER 42 5.962 1.300 -8.012 309 H ALA 43 H ALA 43 3.045 0.593 -4.403 310 HA ALA 43 HA ALA 43 3.832 -2.202 -3.658 311 1HB ALA 43 1HB ALA 43 3.314 -0.670 -1.657 312 2HB ALA 43 2HB ALA 43 1.696 -0.437 -2.332 313 3HB ALA 43 3HB ALA 43 2.223 -2.060 -1.829 314 H ILE 44 H ILE 44 2.577 -3.722 -4.496 315 HA ILE 44 HA ILE 44 0.082 -3.037 -6.015 316 HB ILE 44 HB ILE 44 2.002 -5.381 -6.347 317 1HG1 ILE 44 1HG1 ILE 44 1.321 -3.112 -8.286 318 2HG1 ILE 44 2HG1 ILE 44 2.770 -3.129 -7.289 319 1HG2 ILE 44 1HG2 ILE 44 -0.373 -6.038 -6.678 320 2HG2 ILE 44 2HG2 ILE 44 -0.589 -4.703 -7.830 321 3HG2 ILE 44 3HG2 ILE 44 0.495 -6.062 -8.204 322 1HD1 ILE 44 1HD1 ILE 44 2.096 -5.115 -9.497 323 2HD1 ILE 44 2HD1 ILE 44 3.362 -3.879 -9.491 324 3HD1 ILE 44 3HD1 ILE 44 3.483 -5.264 -8.389 325 H VAL 45 H VAL 45 -1.627 -3.466 -4.833 326 HA VAL 45 HA VAL 45 -1.394 -5.331 -2.483 327 HB VAL 45 HB VAL 45 -3.068 -2.837 -2.694 328 1HG1 VAL 45 1HG1 VAL 45 -2.161 -4.507 -0.293 329 2HG1 VAL 45 2HG1 VAL 45 -3.242 -3.098 -0.238 330 3HG1 VAL 45 3HG1 VAL 45 -3.773 -4.578 -1.030 331 1HG2 VAL 45 1HG2 VAL 45 -0.767 -2.047 -2.780 332 2HG2 VAL 45 2HG2 VAL 45 -1.442 -1.715 -1.186 333 3HG2 VAL 45 3HG2 VAL 45 -0.326 -3.077 -1.412 334 H VAL 46 H VAL 46 -2.957 -6.854 -2.326 335 HA VAL 46 HA VAL 46 -5.081 -6.990 -4.433 336 HB VAL 46 HB VAL 46 -3.551 -9.171 -2.972 337 1HG1 VAL 46 1HG1 VAL 46 -5.218 -9.540 -5.469 338 2HG1 VAL 46 2HG1 VAL 46 -4.372 -10.772 -4.483 339 3HG1 VAL 46 3HG1 VAL 46 -5.774 -9.914 -3.822 340 1HG2 VAL 46 1HG2 VAL 46 -2.970 -8.119 -5.748 341 2HG2 VAL 46 2HG2 VAL 46 -1.910 -8.081 -4.329 342 3HG2 VAL 46 3HG2 VAL 46 -2.319 -9.624 -5.072 343 H TYR 47 H TYR 47 -7.199 -6.972 -3.497 344 HA TYR 47 HA TYR 47 -7.494 -7.723 -0.620 345 1HB TYR 47 1HB TYR 47 -8.439 -5.635 0.004 346 2HB TYR 47 2HB TYR 47 -6.899 -5.316 -0.736 347 HD1 TYR 47 HD1 TYR 47 -6.853 -4.636 -3.249 348 HD2 TYR 47 HD2 TYR 47 -10.454 -4.614 -0.885 349 HE1 TYR 47 HE1 TYR 47 -7.944 -3.220 -4.951 350 HE2 TYR 47 HE2 TYR 47 -11.567 -3.194 -2.610 351 HH TYR 47 HH TYR 47 -9.874 -2.265 -5.626 352 H ASN 48 H ASN 48 -9.792 -7.903 0.121 353 HA ASN 48 HA ASN 48 -11.231 -9.231 -2.123 354 1HB ASN 48 1HB ASN 48 -10.448 -10.616 -0.305 355 2HB ASN 48 2HB ASN 48 -11.264 -9.603 0.892 356 1HD2 ASN 48 1HD2 ASN 48 -13.630 -9.631 0.959 357 2HD2 ASN 48 2HD2 ASN 48 -14.481 -11.027 0.278 358 H ALA 49 H ALA 49 -12.920 -8.238 -3.035 359 HA ALA 49 HA ALA 49 -15.210 -7.374 -1.516 360 1HB ALA 49 1HB ALA 49 -13.516 -5.246 -2.919 361 2HB ALA 49 2HB ALA 49 -15.146 -4.979 -2.264 362 3HB ALA 49 3HB ALA 49 -13.807 -5.350 -1.168 363 H SER 50 H SER 50 -17.046 -6.902 -2.886 364 HA SER 50 HA SER 50 -16.784 -7.671 -5.758 365 1HB SER 50 1HB SER 50 -18.488 -8.840 -4.301 366 2HB SER 50 2HB SER 50 -19.334 -7.283 -4.154 367 HG SER 50 HG SER 50 -20.050 -8.729 -5.906 368 H SER 51 H SER 51 -15.447 -5.458 -5.289 369 HA SER 51 HA SER 51 -16.721 -3.365 -6.676 370 1HB SER 51 1HB SER 51 -16.861 -3.171 -3.690 371 2HB SER 51 2HB SER 51 -16.467 -1.700 -4.599 372 HG SER 51 HG SER 51 -18.646 -3.415 -5.175 373 H VAL 52 H VAL 52 -15.332 -1.545 -7.056 374 HA VAL 52 HA VAL 52 -12.464 -1.985 -6.424 375 HB VAL 52 HB VAL 52 -12.126 -0.046 -8.047 376 1HG1 VAL 52 1HG1 VAL 52 -12.164 -1.587 -9.964 377 2HG1 VAL 52 2HG1 VAL 52 -11.547 -2.383 -8.507 378 3HG1 VAL 52 3HG1 VAL 52 -13.206 -2.707 -9.058 379 1HG2 VAL 52 1HG2 VAL 52 -13.806 0.272 -9.803 380 2HG2 VAL 52 2HG2 VAL 52 -14.930 -0.836 -9.000 381 3HG2 VAL 52 3HG2 VAL 52 -14.526 0.721 -8.254 382 H THR 53 H THR 53 -12.485 -1.459 -4.290 383 HA THR 53 HA THR 53 -13.066 1.402 -3.570 384 HB THR 53 HB THR 53 -13.334 -1.007 -1.744 385 HG1 THR 53 HG1 THR 53 -15.596 -0.493 -2.087 386 1HG2 THR 53 1HG2 THR 53 -14.280 1.896 -1.503 387 2HG2 THR 53 2HG2 THR 53 -12.991 1.152 -0.533 388 3HG2 THR 53 3HG2 THR 53 -14.651 0.586 -0.358 389 HA PRO 54 HA PRO 54 -8.567 0.372 -2.812 390 1HB PRO 54 1HB PRO 54 -7.320 2.230 -4.342 391 2HB PRO 54 2HB PRO 54 -8.089 0.785 -5.058 392 1HG PRO 54 1HG PRO 54 -9.291 3.567 -4.764 393 2HG PRO 54 2HG PRO 54 -9.161 2.580 -6.257 394 1HD PRO 54 1HD PRO 54 -11.426 2.570 -4.751 395 2HD PRO 54 2HD PRO 54 -10.812 1.078 -5.526 396 H GLU 55 H GLU 55 -10.444 3.222 -2.129 397 HA GLU 55 HA GLU 55 -8.554 5.009 -1.079 398 1HB GLU 55 1HB GLU 55 -11.470 4.531 -0.884 399 2HB GLU 55 2HB GLU 55 -10.821 5.287 0.556 400 1HG GLU 55 1HG GLU 55 -10.132 6.396 -2.189 401 2HG GLU 55 2HG GLU 55 -11.669 6.774 -1.409 402 H SER 56 H SER 56 -9.875 2.090 0.496 403 HA SER 56 HA SER 56 -8.984 2.774 3.174 404 1HB SER 56 1HB SER 56 -9.498 0.404 3.628 405 2HB SER 56 2HB SER 56 -10.830 1.221 2.794 406 HG SER 56 HG SER 56 -10.274 -0.894 1.937 407 H LEU 57 H LEU 57 -7.602 0.740 0.579 408 HA LEU 57 HA LEU 57 -5.249 -0.034 2.059 409 1HB LEU 57 1HB LEU 57 -5.457 0.362 -0.924 410 2HB LEU 57 2HB LEU 57 -4.278 -0.613 -0.068 411 HG LEU 57 HG LEU 57 -7.243 -1.211 -0.449 412 1HD1 LEU 57 1HD1 LEU 57 -6.396 -2.018 -2.387 413 2HD1 LEU 57 2HD1 LEU 57 -5.734 -3.347 -1.390 414 3HD1 LEU 57 3HD1 LEU 57 -4.735 -1.943 -1.815 415 1HD2 LEU 57 1HD2 LEU 57 -6.577 -1.951 1.772 416 2HD2 LEU 57 2HD2 LEU 57 -5.204 -2.872 1.112 417 3HD2 LEU 57 3HD2 LEU 57 -6.876 -3.331 0.712 418 H ARG 58 H ARG 58 -5.758 2.692 -0.260 419 HA ARG 58 HA ARG 58 -3.256 3.950 -0.160 420 1HB ARG 58 1HB ARG 58 -5.013 4.657 -1.635 421 2HB ARG 58 2HB ARG 58 -6.120 4.910 -0.352 422 1HG ARG 58 1HG ARG 58 -4.015 6.654 0.271 423 2HG ARG 58 2HG ARG 58 -4.107 6.742 -1.479 424 1HD ARG 58 1HD ARG 58 -6.333 7.561 -1.438 425 2HD ARG 58 2HD ARG 58 -6.625 6.955 0.203 426 HE ARG 58 HE ARG 58 -4.792 8.656 0.883 427 1HH1 ARG 58 1HH1 ARG 58 -7.677 9.268 -1.016 428 2HH1 ARG 58 2HH1 ARG 58 -7.471 11.009 -0.941 429 1HH2 ARG 58 1HH2 ARG 58 -4.596 10.715 1.105 430 2HH2 ARG 58 2HH2 ARG 58 -5.778 11.852 0.470 431 H LYS 59 H LYS 59 -6.083 4.636 1.982 432 HA LYS 59 HA LYS 59 -4.849 6.259 3.858 433 1HB LYS 59 1HB LYS 59 -7.266 4.557 3.736 434 2HB LYS 59 2HB LYS 59 -6.631 4.751 5.348 435 1HG LYS 59 1HG LYS 59 -8.185 6.534 4.948 436 2HG LYS 59 2HG LYS 59 -6.552 7.221 5.052 437 1HD LYS 59 1HD LYS 59 -6.479 7.254 2.524 438 2HD LYS 59 2HD LYS 59 -8.103 6.620 2.526 439 1HE LYS 59 1HE LYS 59 -8.614 8.724 4.065 440 2HE LYS 59 2HE LYS 59 -7.066 9.317 3.423 441 1HZ LYS 59 1HZ LYS 59 -8.907 10.090 2.034 442 2HZ LYS 59 2HZ LYS 59 -9.476 8.579 1.816 443 3HZ LYS 59 3HZ LYS 59 -8.090 8.949 1.152 444 H ALA 60 H ALA 60 -4.788 2.633 3.863 445 HA ALA 60 HA ALA 60 -3.507 2.411 6.437 446 1HB ALA 60 1HB ALA 60 -4.867 0.642 5.358 447 2HB ALA 60 2HB ALA 60 -3.643 0.472 4.080 448 3HB ALA 60 3HB ALA 60 -3.229 0.095 5.777 449 H ILE 61 H ILE 61 -2.239 2.806 3.156 450 HA ILE 61 HA ILE 61 0.532 2.531 3.930 451 HB ILE 61 HB ILE 61 -0.648 4.062 1.555 452 1HG1 ILE 61 1HG1 ILE 61 0.308 1.182 1.593 453 2HG1 ILE 61 2HG1 ILE 61 -1.353 1.707 1.508 454 1HG2 ILE 61 1HG2 ILE 61 1.638 4.698 1.918 455 2HG2 ILE 61 2HG2 ILE 61 2.155 3.013 2.093 456 3HG2 ILE 61 3HG2 ILE 61 1.597 3.651 0.537 457 1HD1 ILE 61 1HD1 ILE 61 0.736 2.079 -0.636 458 2HD1 ILE 61 2HD1 ILE 61 -0.775 1.158 -0.695 459 3HD1 ILE 61 3HD1 ILE 61 -0.823 2.936 -0.627 460 H GLU 62 H GLU 62 -1.506 5.451 3.324 461 HA GLU 62 HA GLU 62 0.323 7.393 4.169 462 1HB GLU 62 1HB GLU 62 -2.701 7.312 4.589 463 2HB GLU 62 2HB GLU 62 -1.653 8.720 4.792 464 1HG GLU 62 1HG GLU 62 -1.087 8.778 2.462 465 2HG GLU 62 2HG GLU 62 -1.965 7.268 2.163 466 H ALA 63 H ALA 63 -1.506 5.101 6.173 467 HA ALA 63 HA ALA 63 -1.090 6.638 8.627 468 1HB ALA 63 1HB ALA 63 -2.410 4.804 9.649 469 2HB ALA 63 2HB ALA 63 -3.213 5.444 8.204 470 3HB ALA 63 3HB ALA 63 -2.330 3.898 8.126 471 H VAL 64 H VAL 64 1.075 4.961 6.995 472 HA VAL 64 HA VAL 64 2.296 3.605 9.351 473 HB VAL 64 HB VAL 64 2.050 2.510 6.929 474 1HG1 VAL 64 1HG1 VAL 64 4.783 3.619 6.544 475 2HG1 VAL 64 2HG1 VAL 64 3.786 2.547 5.514 476 3HG1 VAL 64 3HG1 VAL 64 3.295 4.236 5.797 477 1HG2 VAL 64 1HG2 VAL 64 3.998 1.079 7.546 478 2HG2 VAL 64 2HG2 VAL 64 4.684 2.401 8.532 479 3HG2 VAL 64 3HG2 VAL 64 3.206 1.570 9.062 480 H SER 65 H SER 65 2.857 6.243 7.008 481 HA SER 65 HA SER 65 4.443 7.501 9.107 482 1HB SER 65 1HB SER 65 5.834 7.805 6.524 483 2HB SER 65 2HB SER 65 6.367 7.718 8.200 484 HG SER 65 HG SER 65 5.770 5.390 8.016 485 HA PRO 66 HA PRO 66 1.209 10.003 6.939 486 1HB PRO 66 1HB PRO 66 0.087 11.058 9.281 487 2HB PRO 66 2HB PRO 66 -0.456 9.586 8.424 488 1HG PRO 66 1HG PRO 66 1.432 9.786 10.787 489 2HG PRO 66 2HG PRO 66 0.058 8.651 10.549 490 1HD PRO 66 1HD PRO 66 2.549 7.791 10.036 491 2HD PRO 66 2HD PRO 66 1.277 7.419 8.901 492 H GLY 67 H GLY 67 1.277 12.120 6.424 493 1HA GLY 67 1HA GLY 67 1.980 14.360 6.418 494 2HA GLY 67 2HA GLY 67 2.984 14.056 7.860 495 H LEU 68 H LEU 68 4.274 11.691 6.625 496 HA LEU 68 HA LEU 68 6.256 13.026 4.850 497 1HB LEU 68 1HB LEU 68 7.062 11.817 6.777 498 2HB LEU 68 2HB LEU 68 6.145 10.382 6.340 499 HG LEU 68 HG LEU 68 7.537 10.046 4.333 500 1HD1 LEU 68 1HD1 LEU 68 9.641 11.359 4.101 501 2HD1 LEU 68 2HD1 LEU 68 9.067 12.471 5.364 502 3HD1 LEU 68 3HD1 LEU 68 8.202 12.343 3.810 503 1HD2 LEU 68 1HD2 LEU 68 9.061 10.432 6.936 504 2HD2 LEU 68 2HD2 LEU 68 9.586 9.440 5.560 505 3HD2 LEU 68 3HD2 LEU 68 8.127 8.991 6.464 506 H TYR 69 H TYR 69 4.042 10.226 4.851 507 HA TYR 69 HA TYR 69 4.870 9.244 2.314 508 1HB TYR 69 1HB TYR 69 2.635 8.630 4.276 509 2HB TYR 69 2HB TYR 69 2.564 8.006 2.658 510 HD1 TYR 69 HD1 TYR 69 2.540 5.755 3.400 511 HD2 TYR 69 HD2 TYR 69 5.947 8.246 4.237 512 HE1 TYR 69 HE1 TYR 69 3.925 3.768 3.488 513 HE2 TYR 69 HE2 TYR 69 7.288 6.181 4.679 514 HH TYR 69 HH TYR 69 5.899 2.940 4.063 515 H ARG 70 H ARG 70 4.723 10.744 0.587 516 HA ARG 70 HA ARG 70 2.187 11.840 -0.272 517 1HB ARG 70 1HB ARG 70 4.574 12.494 -1.059 518 2HB ARG 70 2HB ARG 70 4.516 11.075 -2.019 519 1HG ARG 70 1HG ARG 70 3.200 13.664 -2.436 520 2HG ARG 70 2HG ARG 70 3.978 12.607 -3.571 521 1HD ARG 70 1HD ARG 70 2.094 11.152 -3.774 522 2HD ARG 70 2HD ARG 70 1.240 11.938 -2.445 523 HE ARG 70 HE ARG 70 1.488 12.808 -5.214 524 1HH1 ARG 70 1HH1 ARG 70 0.518 13.873 -1.996 525 2HH1 ARG 70 2HH1 ARG 70 -0.858 14.767 -2.586 526 1HH2 ARG 70 1HH2 ARG 70 -0.295 13.911 -5.918 527 2HH2 ARG 70 2HH2 ARG 70 -1.262 14.855 -4.823 528 H VAL 71 H VAL 71 0.919 9.774 0.221 529 HA VAL 71 HA VAL 71 1.161 7.653 -1.782 530 HB VAL 71 HB VAL 71 -1.203 8.011 0.046 531 1HG1 VAL 71 1HG1 VAL 71 -0.113 5.573 -1.442 532 2HG1 VAL 71 2HG1 VAL 71 -1.438 5.547 -0.259 533 3HG1 VAL 71 3HG1 VAL 71 -1.645 6.410 -1.781 534 1HG2 VAL 71 1HG2 VAL 71 0.792 7.886 1.415 535 2HG2 VAL 71 2HG2 VAL 71 0.026 6.305 1.454 536 3HG2 VAL 71 3HG2 VAL 71 1.456 6.560 0.435 537 H SER 72 H SER 72 0.350 7.342 -3.618 538 HA SER 72 HA SER 72 -2.208 8.584 -4.451 539 1HB SER 72 1HB SER 72 0.466 8.881 -5.857 540 2HB SER 72 2HB SER 72 -1.087 9.232 -6.576 541 HG SER 72 HG SER 72 -0.561 10.352 -4.090 542 H ILE 73 H ILE 73 -3.052 7.556 -6.400 543 HA ILE 73 HA ILE 73 -2.342 4.659 -6.641 544 HB ILE 73 HB ILE 73 -4.888 6.143 -7.461 545 1HG1 ILE 73 1HG1 ILE 73 -4.451 4.376 -5.030 546 2HG1 ILE 73 2HG1 ILE 73 -4.639 6.120 -4.964 547 1HG2 ILE 73 1HG2 ILE 73 -4.333 3.985 -8.710 548 2HG2 ILE 73 2HG2 ILE 73 -4.481 3.134 -7.161 549 3HG2 ILE 73 3HG2 ILE 73 -5.871 3.980 -7.870 550 1HD1 ILE 73 1HD1 ILE 73 -6.946 5.888 -5.898 551 2HD1 ILE 73 2HD1 ILE 73 -6.772 4.119 -5.780 552 3HD1 ILE 73 3HD1 ILE 73 -6.715 5.109 -4.318 553 H THR 74 H THR 74 -1.317 4.006 -8.332 554 HA THR 74 HA THR 74 -0.779 5.819 -10.496 555 HB THR 74 HB THR 74 0.230 2.993 -10.583 556 HG1 THR 74 HG1 THR 74 1.769 3.631 -8.996 557 1HG2 THR 74 1HG2 THR 74 1.522 5.753 -10.621 558 2HG2 THR 74 2HG2 THR 74 1.032 4.840 -12.069 559 3HG2 THR 74 3HG2 THR 74 2.327 4.212 -11.023 560 H SER 75 H SER 75 -3.081 5.938 -11.291 561 HA SER 75 HA SER 75 -3.676 3.662 -13.173 562 1HB SER 75 1HB SER 75 -5.609 5.558 -11.784 563 2HB SER 75 2HB SER 75 -6.043 4.309 -12.945 564 HG SER 75 HG SER 75 -6.404 3.511 -10.944 565 H GLU 76 H GLU 76 -4.990 4.257 -15.046 566 HA GLU 76 HA GLU 76 -4.380 6.860 -16.279 567 1HB GLU 76 1HB GLU 76 -4.455 4.763 -17.645 568 2HB GLU 76 2HB GLU 76 -6.143 4.521 -17.166 569 1HG GLU 76 1HG GLU 76 -6.737 6.698 -18.239 570 2HG GLU 76 2HG GLU 76 -5.048 6.905 -18.730 571 H VAL 77 H VAL 77 -5.790 8.428 -16.170 572 HA VAL 77 HA VAL 77 -8.505 8.276 -15.083 573 HB VAL 77 HB VAL 77 -8.094 9.972 -13.345 574 1HG1 VAL 77 1HG1 VAL 77 -7.990 7.538 -12.705 575 2HG1 VAL 77 2HG1 VAL 77 -6.210 7.630 -12.810 576 3HG1 VAL 77 3HG1 VAL 77 -7.085 8.620 -11.637 577 1HG2 VAL 77 1HG2 VAL 77 -5.812 10.502 -12.559 578 2HG2 VAL 77 2HG2 VAL 77 -5.122 9.632 -13.942 579 3HG2 VAL 77 3HG2 VAL 77 -6.108 11.092 -14.191 Start of MODEL 10 1 1H ASN 1 1HT ASN 1 -13.714 -14.149 -5.779 2 HA ASN 1 HA ASN 1 -12.199 -12.997 -8.033 3 1HB ASN 1 1HB ASN 1 -14.985 -12.510 -6.904 4 2HB ASN 1 2HB ASN 1 -14.267 -11.504 -8.170 5 1HD2 ASN 1 1HD2 ASN 1 -13.390 -12.670 -10.126 6 2HD2 ASN 1 2HD2 ASN 1 -14.318 -14.069 -10.673 7 H ASP 2 H ASP 2 -10.491 -12.657 -6.181 8 HA ASP 2 HA ASP 2 -10.739 -10.387 -4.468 9 1HB ASP 2 1HB ASP 2 -8.233 -11.694 -5.585 10 2HB ASP 2 2HB ASP 2 -8.350 -10.616 -4.213 11 H SER 3 H SER 3 -9.811 -8.370 -4.646 12 HA SER 3 HA SER 3 -9.652 -7.206 -7.379 13 1HB SER 3 1HB SER 3 -11.346 -6.297 -5.829 14 2HB SER 3 2HB SER 3 -10.085 -5.931 -4.648 15 HG SER 3 HG SER 3 -10.594 -4.090 -5.839 16 H THR 4 H THR 4 -8.186 -5.123 -7.237 17 HA THR 4 HA THR 4 -5.714 -5.328 -5.777 18 HB THR 4 HB THR 4 -5.752 -6.321 -8.626 19 HG1 THR 4 HG1 THR 4 -5.737 -7.518 -6.485 20 1HG2 THR 4 1HG2 THR 4 -3.316 -5.248 -7.117 21 2HG2 THR 4 2HG2 THR 4 -3.950 -4.634 -8.669 22 3HG2 THR 4 3HG2 THR 4 -3.255 -6.257 -8.576 23 H ALA 5 H ALA 5 -4.610 -3.517 -5.770 24 HA ALA 5 HA ALA 5 -4.940 -1.499 -7.871 25 1HB ALA 5 1HB ALA 5 -5.244 0.308 -6.093 26 2HB ALA 5 2HB ALA 5 -6.643 -0.766 -6.340 27 3HB ALA 5 3HB ALA 5 -5.585 -1.002 -4.940 28 H THR 6 H THR 6 -3.255 0.184 -7.700 29 HA THR 6 HA THR 6 -0.779 -0.791 -6.343 30 HB THR 6 HB THR 6 -0.993 0.528 -9.030 31 HG1 THR 6 HG1 THR 6 -0.301 -1.485 -9.788 32 1HG2 THR 6 1HG2 THR 6 1.381 -0.558 -7.487 33 2HG2 THR 6 2HG2 THR 6 1.091 1.125 -7.985 34 3HG2 THR 6 3HG2 THR 6 1.439 -0.101 -9.212 35 H PHE 7 H PHE 7 0.363 0.674 -5.342 36 HA PHE 7 HA PHE 7 -0.558 3.501 -5.360 37 1HB PHE 7 1HB PHE 7 0.088 2.001 -2.814 38 2HB PHE 7 2HB PHE 7 -0.579 3.615 -3.003 39 HD1 PHE 7 HD1 PHE 7 -1.490 -0.040 -3.529 40 HD2 PHE 7 HD2 PHE 7 -2.923 4.039 -3.115 41 HE1 PHE 7 HE1 PHE 7 -3.764 -0.836 -3.568 42 HE2 PHE 7 HE2 PHE 7 -5.230 3.184 -3.081 43 HZ PHE 7 HZ PHE 7 -5.676 0.757 -3.333 44 H ILE 8 H ILE 8 1.003 5.031 -4.853 45 HA ILE 8 HA ILE 8 3.788 4.083 -4.495 46 HB ILE 8 HB ILE 8 3.177 4.398 -6.898 47 1HG1 ILE 8 1HG1 ILE 8 5.211 6.501 -6.020 48 2HG1 ILE 8 2HG1 ILE 8 5.461 4.800 -5.662 49 1HG2 ILE 8 1HG2 ILE 8 1.608 6.262 -6.789 50 2HG2 ILE 8 2HG2 ILE 8 2.911 7.364 -6.297 51 3HG2 ILE 8 3HG2 ILE 8 2.934 6.601 -7.897 52 1HD1 ILE 8 1HD1 ILE 8 5.378 4.174 -8.003 53 2HD1 ILE 8 2HD1 ILE 8 5.113 5.875 -8.476 54 3HD1 ILE 8 3HD1 ILE 8 6.640 5.386 -7.709 55 H ILE 9 H ILE 9 5.037 5.174 -3.233 56 HA ILE 9 HA ILE 9 3.715 7.317 -1.721 57 HB ILE 9 HB ILE 9 5.970 5.474 -0.864 58 1HG1 ILE 9 1HG1 ILE 9 4.118 4.459 0.603 59 2HG1 ILE 9 2HG1 ILE 9 2.965 5.110 -0.457 60 1HG2 ILE 9 1HG2 ILE 9 4.107 7.333 0.705 61 2HG2 ILE 9 2HG2 ILE 9 5.319 6.258 1.412 62 3HG2 ILE 9 3HG2 ILE 9 5.819 7.602 0.389 63 1HD1 ILE 9 1HD1 ILE 9 5.188 3.148 -1.143 64 2HD1 ILE 9 2HD1 ILE 9 3.530 2.700 -0.714 65 3HD1 ILE 9 3HD1 ILE 9 3.818 3.572 -2.219 66 H ASP 10 H ASP 10 4.492 9.330 -2.100 67 HA ASP 10 HA ASP 10 7.010 9.660 -3.503 68 1HB ASP 10 1HB ASP 10 4.706 10.937 -3.751 69 2HB ASP 10 2HB ASP 10 5.343 11.957 -2.478 70 H GLY 11 H GLY 11 6.664 9.069 -0.459 71 1HA GLY 11 1HA GLY 11 9.062 10.571 0.482 72 2HA GLY 11 2HA GLY 11 7.559 10.767 1.369 73 H MET 12 H MET 12 8.301 7.528 0.057 74 HA MET 12 HA MET 12 8.265 6.592 2.825 75 1HB MET 12 1HB MET 12 8.184 4.439 2.177 76 2HB MET 12 2HB MET 12 7.267 5.191 0.970 77 1HG MET 12 1HG MET 12 8.595 4.439 -0.677 78 2HG MET 12 2HG MET 12 10.061 4.925 0.100 79 1HE MET 12 1HE MET 12 7.893 0.915 0.196 80 2HE MET 12 2HE MET 12 7.340 2.471 -0.464 81 3HE MET 12 3HE MET 12 8.593 1.516 -1.302 82 H HIS 13 H HIS 13 9.855 5.640 4.037 83 HA HIS 13 HA HIS 13 12.436 6.833 3.812 84 1HB HIS 13 1HB HIS 13 11.690 4.530 5.577 85 2HB HIS 13 2HB HIS 13 12.876 5.789 5.923 86 HD1 HIS 13 HD1 HIS 13 11.229 5.344 8.249 87 HD2 HIS 13 HD2 HIS 13 9.619 7.538 5.045 88 HE1 HIS 13 HE1 HIS 13 9.030 6.330 9.072 89 H CYS 14 H CYS 14 11.740 4.789 1.663 90 HA CYS 14 HA CYS 14 12.913 3.494 0.229 91 1HB CYS 14 1HB CYS 14 14.764 5.058 0.998 92 2HB CYS 14 2HB CYS 14 15.334 3.761 2.050 93 HG CYS 14 HG CYS 14 16.760 3.998 -0.215 94 H LYS 15 H LYS 15 15.090 1.570 1.312 95 HA LYS 15 HA LYS 15 13.501 -0.745 1.228 96 1HB LYS 15 1HB LYS 15 16.352 -0.124 1.986 97 2HB LYS 15 2HB LYS 15 15.719 -1.707 2.417 98 1HG LYS 15 1HG LYS 15 16.862 -1.733 0.236 99 2HG LYS 15 2HG LYS 15 15.183 -2.258 0.165 100 1HD LYS 15 1HD LYS 15 14.514 -0.045 -0.760 101 2HD LYS 15 2HD LYS 15 16.220 0.472 -0.684 102 1HE LYS 15 1HE LYS 15 16.824 -1.311 -2.275 103 2HE LYS 15 2HE LYS 15 15.147 -1.906 -2.265 104 1HZ LYS 15 1HZ LYS 15 15.856 0.863 -3.150 105 2HZ LYS 15 2HZ LYS 15 14.411 0.100 -3.313 106 3HZ LYS 15 3HZ LYS 15 15.662 -0.404 -4.175 107 H SER 16 H SER 16 14.522 0.896 4.318 108 HA SER 16 HA SER 16 13.203 -1.161 5.898 109 1HB SER 16 1HB SER 16 13.466 1.762 6.701 110 2HB SER 16 2HB SER 16 13.452 0.318 7.736 111 HG SER 16 HG SER 16 15.602 1.055 7.504 112 H CYS 17 H CYS 17 11.893 1.791 4.247 113 HA CYS 17 HA CYS 17 9.347 1.425 5.581 114 1HB CYS 17 1HB CYS 17 10.450 3.296 3.515 115 2HB CYS 17 2HB CYS 17 8.790 2.884 3.357 116 HG CYS 17 HG CYS 17 7.777 3.577 5.491 117 H VAL 18 H VAL 18 10.609 0.387 2.393 118 HA VAL 18 HA VAL 18 8.441 -0.864 1.332 119 HB VAL 18 HB VAL 18 11.293 -1.906 1.592 120 1HG1 VAL 18 1HG1 VAL 18 9.036 -3.487 0.504 121 2HG1 VAL 18 2HG1 VAL 18 10.528 -3.428 -0.436 122 3HG1 VAL 18 3HG1 VAL 18 10.554 -3.981 1.246 123 1HG2 VAL 18 1HG2 VAL 18 11.509 -1.313 -0.751 124 2HG2 VAL 18 2HG2 VAL 18 9.825 -0.752 -0.789 125 3HG2 VAL 18 3HG2 VAL 18 11.019 0.072 0.221 126 H SER 19 H SER 19 10.455 -2.494 3.850 127 HA SER 19 HA SER 19 8.754 -4.775 4.121 128 1HB SER 19 1HB SER 19 11.183 -4.415 4.868 129 2HB SER 19 2HB SER 19 10.587 -3.396 6.177 130 HG SER 19 HG SER 19 9.962 -6.173 5.764 131 H ASN 20 H ASN 20 8.586 -1.596 5.905 132 HA ASN 20 HA ASN 20 6.464 -2.408 7.670 133 1HB ASN 20 1HB ASN 20 7.043 0.276 6.414 134 2HB ASN 20 2HB ASN 20 5.942 0.032 7.714 135 1HD2 ASN 20 1HD2 ASN 20 8.669 1.378 7.220 136 2HD2 ASN 20 2HD2 ASN 20 9.683 0.803 8.509 137 H ILE 21 H ILE 21 6.478 -1.091 4.303 138 HA ILE 21 HA ILE 21 3.604 -0.689 4.384 139 HB ILE 21 HB ILE 21 4.987 -1.060 1.735 140 1HG1 ILE 21 1HG1 ILE 21 5.826 1.021 3.734 141 2HG1 ILE 21 2HG1 ILE 21 6.616 0.281 2.367 142 1HG2 ILE 21 1HG2 ILE 21 2.570 -0.752 1.848 143 2HG2 ILE 21 2HG2 ILE 21 2.767 0.717 2.810 144 3HG2 ILE 21 3HG2 ILE 21 3.292 0.657 1.101 145 1HD1 ILE 21 1HD1 ILE 21 6.373 2.594 1.844 146 2HD1 ILE 21 2HD1 ILE 21 5.467 1.579 0.716 147 3HD1 ILE 21 3HD1 ILE 21 4.605 2.472 1.977 148 H GLU 22 H GLU 22 5.616 -3.335 3.093 149 HA GLU 22 HA GLU 22 3.562 -5.093 2.261 150 1HB GLU 22 1HB GLU 22 6.293 -5.574 3.540 151 2HB GLU 22 2HB GLU 22 5.313 -6.838 2.845 152 1HG GLU 22 1HG GLU 22 5.298 -5.089 0.746 153 2HG GLU 22 2HG GLU 22 6.805 -4.626 1.499 154 H SER 23 H SER 23 5.065 -4.787 5.525 155 HA SER 23 HA SER 23 3.380 -6.736 6.716 156 1HB SER 23 1HB SER 23 4.936 -4.447 8.021 157 2HB SER 23 2HB SER 23 4.382 -5.931 8.830 158 HG SER 23 HG SER 23 6.412 -5.577 6.887 159 H THR 24 H THR 24 3.062 -3.196 6.889 160 HA THR 24 HA THR 24 0.890 -3.197 8.775 161 HB THR 24 HB THR 24 2.009 -1.025 6.896 162 HG1 THR 24 HG1 THR 24 2.230 -1.375 9.696 163 1HG2 THR 24 1HG2 THR 24 -0.260 -0.356 7.510 164 2HG2 THR 24 2HG2 THR 24 0.901 0.581 8.451 165 3HG2 THR 24 3HG2 THR 24 0.030 -0.772 9.212 166 H LEU 25 H LEU 25 1.057 -3.147 5.247 167 HA LEU 25 HA LEU 25 -1.844 -2.960 4.975 168 1HB LEU 25 1HB LEU 25 0.415 -3.662 3.108 169 2HB LEU 25 2HB LEU 25 -1.246 -3.769 2.600 170 HG LEU 25 HG LEU 25 0.227 -1.610 2.105 171 1HD1 LEU 25 1HD1 LEU 25 -1.971 -1.955 1.261 172 2HD1 LEU 25 2HD1 LEU 25 -1.918 -0.332 1.952 173 3HD1 LEU 25 3HD1 LEU 25 -2.715 -1.634 2.841 174 1HD2 LEU 25 1HD2 LEU 25 -1.008 -0.828 4.789 175 2HD2 LEU 25 2HD2 LEU 25 -0.314 0.280 3.630 176 3HD2 LEU 25 3HD2 LEU 25 0.732 -0.902 4.403 177 H SER 26 H SER 26 0.525 -5.744 4.746 178 HA SER 26 HA SER 26 -1.580 -7.590 4.079 179 1HB SER 26 1HB SER 26 0.851 -7.917 3.580 180 2HB SER 26 2HB SER 26 1.160 -8.162 5.286 181 HG SER 26 HG SER 26 -0.441 -9.879 5.142 182 H ALA 27 H ALA 27 -1.754 -5.998 6.724 183 HA ALA 27 HA ALA 27 -2.499 -8.232 8.573 184 1HB ALA 27 1HB ALA 27 -1.624 -5.364 9.191 185 2HB ALA 27 2HB ALA 27 -2.101 -6.588 10.390 186 3HB ALA 27 3HB ALA 27 -0.632 -6.819 9.419 187 H LEU 28 H LEU 28 -3.859 -6.142 6.328 188 HA LEU 28 HA LEU 28 -5.918 -5.018 8.029 189 1HB LEU 28 1HB LEU 28 -5.596 -5.083 5.012 190 2HB LEU 28 2HB LEU 28 -6.843 -4.183 5.862 191 HG LEU 28 HG LEU 28 -3.902 -3.688 6.454 192 1HD1 LEU 28 1HD1 LEU 28 -3.775 -2.022 4.803 193 2HD1 LEU 28 2HD1 LEU 28 -5.491 -2.079 4.430 194 3HD1 LEU 28 3HD1 LEU 28 -4.419 -3.423 3.948 195 1HD2 LEU 28 1HD2 LEU 28 -6.392 -1.967 6.703 196 2HD2 LEU 28 2HD2 LEU 28 -4.721 -1.480 7.108 197 3HD2 LEU 28 3HD2 LEU 28 -5.523 -2.756 8.042 198 H GLN 29 H GLN 29 -7.807 -5.897 8.524 199 HA GLN 29 HA GLN 29 -8.489 -8.562 8.143 200 1HB GLN 29 1HB GLN 29 -10.272 -6.182 8.831 201 2HB GLN 29 2HB GLN 29 -10.746 -7.860 9.057 202 1HG GLN 29 1HG GLN 29 -8.348 -6.606 10.460 203 2HG GLN 29 2HG GLN 29 -9.969 -6.713 11.137 204 1HE2 GLN 29 1HE2 GLN 29 -10.546 -8.672 12.234 205 2HE2 GLN 29 2HE2 GLN 29 -9.486 -10.084 12.133 206 H TYR 30 H TYR 30 -8.728 -6.417 5.620 207 HA TYR 30 HA TYR 30 -10.688 -8.163 4.188 208 1HB TYR 30 1HB TYR 30 -10.931 -6.129 2.654 209 2HB TYR 30 2HB TYR 30 -11.704 -6.088 4.225 210 HD1 TYR 30 HD1 TYR 30 -11.808 -3.944 5.051 211 HD2 TYR 30 HD2 TYR 30 -8.131 -5.163 3.126 212 HE1 TYR 30 HE1 TYR 30 -10.807 -1.732 5.547 213 HE2 TYR 30 HE2 TYR 30 -7.198 -2.959 3.540 214 HH TYR 30 HH TYR 30 -8.929 -0.401 5.346 215 H VAL 31 H VAL 31 -7.289 -7.649 4.293 216 HA VAL 31 HA VAL 31 -7.129 -7.464 1.316 217 HB VAL 31 HB VAL 31 -5.824 -5.801 2.635 218 1HG1 VAL 31 1HG1 VAL 31 -5.001 -7.144 4.353 219 2HG1 VAL 31 2HG1 VAL 31 -4.014 -8.096 3.183 220 3HG1 VAL 31 3HG1 VAL 31 -3.749 -6.339 3.373 221 1HG2 VAL 31 1HG2 VAL 31 -4.091 -7.590 0.854 222 2HG2 VAL 31 2HG2 VAL 31 -5.188 -6.311 0.239 223 3HG2 VAL 31 3HG2 VAL 31 -3.790 -5.906 1.236 224 H SER 32 H SER 32 -6.311 -9.021 0.022 225 HA SER 32 HA SER 32 -6.249 -11.737 1.141 226 1HB SER 32 1HB SER 32 -6.256 -10.745 -1.749 227 2HB SER 32 2HB SER 32 -6.561 -12.403 -1.180 228 HG SER 32 HG SER 32 -8.533 -11.538 -1.492 229 H SER 33 H SER 33 -4.076 -9.388 -0.299 230 HA SER 33 HA SER 33 -1.608 -10.737 0.192 231 1HB SER 33 1HB SER 33 -2.939 -11.180 -2.442 232 2HB SER 33 2HB SER 33 -1.212 -10.997 -2.446 233 HG SER 33 HG SER 33 -2.642 -12.756 -0.733 234 H ILE 34 H ILE 34 0.149 -9.749 -1.242 235 HA ILE 34 HA ILE 34 -0.035 -7.114 -2.314 236 HB ILE 34 HB ILE 34 -0.517 -6.460 0.009 237 1HG1 ILE 34 1HG1 ILE 34 2.353 -5.652 -0.604 238 2HG1 ILE 34 2HG1 ILE 34 0.944 -5.001 -1.448 239 1HG2 ILE 34 1HG2 ILE 34 2.146 -7.731 0.790 240 2HG2 ILE 34 2HG2 ILE 34 1.054 -6.827 1.843 241 3HG2 ILE 34 3HG2 ILE 34 0.544 -8.381 1.195 242 1HD1 ILE 34 1HD1 ILE 34 1.538 -4.736 1.521 243 2HD1 ILE 34 2HD1 ILE 34 1.622 -3.466 0.296 244 3HD1 ILE 34 3HD1 ILE 34 0.054 -4.185 0.725 245 H VAL 35 H VAL 35 1.931 -6.414 -3.106 246 HA VAL 35 HA VAL 35 4.451 -7.718 -2.285 247 HB VAL 35 HB VAL 35 3.438 -7.619 -5.154 248 1HG1 VAL 35 1HG1 VAL 35 6.361 -7.819 -4.300 249 2HG1 VAL 35 2HG1 VAL 35 5.751 -8.214 -5.920 250 3HG1 VAL 35 3HG1 VAL 35 5.631 -6.564 -5.330 251 1HG2 VAL 35 1HG2 VAL 35 3.134 -9.766 -3.965 252 2HG2 VAL 35 2HG2 VAL 35 4.449 -9.974 -5.127 253 3HG2 VAL 35 3HG2 VAL 35 4.830 -9.702 -3.406 254 H VAL 36 H VAL 36 5.922 -6.203 -1.939 255 HA VAL 36 HA VAL 36 5.453 -3.477 -3.150 256 HB VAL 36 HB VAL 36 7.135 -4.340 -0.820 257 1HG1 VAL 36 1HG1 VAL 36 7.942 -1.985 -0.696 258 2HG1 VAL 36 2HG1 VAL 36 8.717 -2.964 -1.963 259 3HG1 VAL 36 3HG1 VAL 36 7.482 -1.758 -2.376 260 1HG2 VAL 36 1HG2 VAL 36 5.322 -1.929 -1.228 261 2HG2 VAL 36 2HG2 VAL 36 4.685 -3.477 -0.645 262 3HG2 VAL 36 3HG2 VAL 36 5.906 -2.590 0.306 263 H SER 37 H SER 37 6.646 -2.623 -4.583 264 HA SER 37 HA SER 37 8.605 -4.138 -6.163 265 1HB SER 37 1HB SER 37 7.623 -1.267 -6.061 266 2HB SER 37 2HB SER 37 8.993 -1.762 -7.053 267 HG SER 37 HG SER 37 7.457 -2.071 -8.438 268 H LEU 38 H LEU 38 10.160 -4.714 -4.498 269 HA LEU 38 HA LEU 38 11.197 -3.139 -2.534 270 1HB LEU 38 1HB LEU 38 11.657 -5.710 -3.458 271 2HB LEU 38 2HB LEU 38 13.220 -4.947 -3.777 272 HG LEU 38 HG LEU 38 11.822 -4.984 -1.081 273 1HD1 LEU 38 1HD1 LEU 38 13.409 -6.688 -0.412 274 2HD1 LEU 38 2HD1 LEU 38 14.129 -6.703 -2.042 275 3HD1 LEU 38 3HD1 LEU 38 12.451 -7.249 -1.790 276 1HD2 LEU 38 1HD2 LEU 38 13.327 -3.135 -1.082 277 2HD2 LEU 38 2HD2 LEU 38 14.620 -4.103 -1.847 278 3HD2 LEU 38 3HD2 LEU 38 14.095 -4.434 -0.180 279 H GLU 39 H GLU 39 12.280 -2.993 -5.932 280 HA GLU 39 HA GLU 39 14.494 -1.316 -5.433 281 1HB GLU 39 1HB GLU 39 14.044 -2.610 -7.473 282 2HB GLU 39 2HB GLU 39 12.710 -1.540 -7.883 283 1HG GLU 39 1HG GLU 39 15.435 -0.315 -7.356 284 2HG GLU 39 2HG GLU 39 15.183 -1.291 -8.809 285 H ASN 40 H ASN 40 11.184 -0.616 -6.425 286 HA ASN 40 HA ASN 40 11.361 2.242 -6.456 287 1HB ASN 40 1HB ASN 40 8.873 0.529 -6.475 288 2HB ASN 40 2HB ASN 40 9.076 2.145 -7.151 289 1HD2 ASN 40 1HD2 ASN 40 11.756 1.514 -8.380 290 2HD2 ASN 40 2HD2 ASN 40 11.431 0.487 -9.675 291 H ARG 41 H ARG 41 9.343 3.296 -5.611 292 HA ARG 41 HA ARG 41 9.042 3.080 -2.669 293 1HB ARG 41 1HB ARG 41 8.298 5.428 -2.830 294 2HB ARG 41 2HB ARG 41 9.917 5.169 -3.400 295 1HG ARG 41 1HG ARG 41 8.231 4.899 -5.707 296 2HG ARG 41 2HG ARG 41 7.571 6.245 -4.817 297 1HD ARG 41 1HD ARG 41 10.569 6.174 -5.165 298 2HD ARG 41 2HD ARG 41 9.599 6.367 -6.595 299 HE ARG 41 HE ARG 41 8.511 8.184 -4.752 300 1HH1 ARG 41 1HH1 ARG 41 11.697 7.902 -6.226 301 2HH1 ARG 41 2HH1 ARG 41 11.900 9.631 -6.335 302 1HH2 ARG 41 1HH2 ARG 41 8.743 10.449 -5.110 303 2HH2 ARG 41 2HH2 ARG 41 10.260 11.035 -5.641 304 H SER 42 H SER 42 7.541 1.170 -4.471 305 HA SER 42 HA SER 42 4.742 2.122 -4.016 306 1HB SER 42 1HB SER 42 4.223 1.114 -6.281 307 2HB SER 42 2HB SER 42 5.092 2.632 -6.272 308 HG SER 42 HG SER 42 6.085 0.023 -6.811 309 H ALA 43 H ALA 43 3.098 0.541 -4.282 310 HA ALA 43 HA ALA 43 3.831 -2.278 -3.596 311 1HB ALA 43 1HB ALA 43 2.215 -2.213 -1.759 312 2HB ALA 43 2HB ALA 43 3.373 -0.897 -1.493 313 3HB ALA 43 3HB ALA 43 1.764 -0.536 -2.139 314 H ILE 44 H ILE 44 2.559 -3.740 -4.505 315 HA ILE 44 HA ILE 44 0.071 -2.947 -5.983 316 HB ILE 44 HB ILE 44 1.900 -5.358 -6.356 317 1HG1 ILE 44 1HG1 ILE 44 1.373 -3.005 -8.237 318 2HG1 ILE 44 2HG1 ILE 44 2.808 -3.136 -7.229 319 1HG2 ILE 44 1HG2 ILE 44 -0.624 -4.500 -7.864 320 2HG2 ILE 44 2HG2 ILE 44 0.381 -5.920 -8.235 321 3HG2 ILE 44 3HG2 ILE 44 -0.518 -5.862 -6.727 322 1HD1 ILE 44 1HD1 ILE 44 2.030 -5.009 -9.498 323 2HD1 ILE 44 2HD1 ILE 44 3.374 -3.861 -9.445 324 3HD1 ILE 44 3HD1 ILE 44 3.394 -5.284 -8.386 325 H VAL 45 H VAL 45 -1.638 -3.370 -4.725 326 HA VAL 45 HA VAL 45 -1.362 -5.259 -2.397 327 HB VAL 45 HB VAL 45 -3.073 -2.786 -2.597 328 1HG1 VAL 45 1HG1 VAL 45 -2.205 -4.511 -0.221 329 2HG1 VAL 45 2HG1 VAL 45 -3.247 -3.075 -0.135 330 3HG1 VAL 45 3HG1 VAL 45 -3.819 -4.521 -0.961 331 1HG2 VAL 45 1HG2 VAL 45 -1.485 -1.646 -1.096 332 2HG2 VAL 45 2HG2 VAL 45 -0.359 -3.007 -1.263 333 3HG2 VAL 45 3HG2 VAL 45 -0.759 -2.007 -2.661 334 H VAL 46 H VAL 46 -2.936 -6.824 -2.224 335 HA VAL 46 HA VAL 46 -5.019 -6.933 -4.381 336 HB VAL 46 HB VAL 46 -3.443 -9.147 -3.011 337 1HG1 VAL 46 1HG1 VAL 46 -4.206 -10.697 -4.614 338 2HG1 VAL 46 2HG1 VAL 46 -5.624 -9.922 -3.892 339 3HG1 VAL 46 3HG1 VAL 46 -5.096 -9.444 -5.523 340 1HG2 VAL 46 1HG2 VAL 46 -2.193 -9.472 -5.123 341 2HG2 VAL 46 2HG2 VAL 46 -2.861 -7.942 -5.721 342 3HG2 VAL 46 3HG2 VAL 46 -1.815 -7.967 -4.292 343 H TYR 47 H TYR 47 -7.148 -6.988 -3.470 344 HA TYR 47 HA TYR 47 -7.408 -7.826 -0.606 345 1HB TYR 47 1HB TYR 47 -8.497 -5.890 0.100 346 2HB TYR 47 2HB TYR 47 -6.992 -5.385 -0.633 347 HD1 TYR 47 HD1 TYR 47 -10.623 -5.171 -0.721 348 HD2 TYR 47 HD2 TYR 47 -7.046 -4.388 -2.985 349 HE1 TYR 47 HE1 TYR 47 -11.911 -3.691 -2.243 350 HE2 TYR 47 HE2 TYR 47 -8.297 -2.867 -4.472 351 HH TYR 47 HH TYR 47 -11.894 -2.682 -4.297 352 H ASN 48 H ASN 48 -9.630 -8.267 0.136 353 HA ASN 48 HA ASN 48 -11.123 -9.428 -2.129 354 1HB ASN 48 1HB ASN 48 -10.380 -10.727 -0.044 355 2HB ASN 48 2HB ASN 48 -11.610 -9.840 0.847 356 1HD2 ASN 48 1HD2 ASN 48 -10.984 -12.257 -1.696 357 2HD2 ASN 48 2HD2 ASN 48 -12.630 -12.881 -1.663 358 H ALA 49 H ALA 49 -12.913 -8.377 -2.923 359 HA ALA 49 HA ALA 49 -15.043 -7.348 -1.305 360 1HB ALA 49 1HB ALA 49 -13.510 -5.386 -1.051 361 2HB ALA 49 2HB ALA 49 -13.356 -5.307 -2.825 362 3HB ALA 49 3HB ALA 49 -14.912 -4.963 -2.043 363 H SER 50 H SER 50 -16.957 -6.723 -2.694 364 HA SER 50 HA SER 50 -16.764 -7.745 -5.458 365 1HB SER 50 1HB SER 50 -19.168 -7.708 -5.374 366 2HB SER 50 2HB SER 50 -18.580 -8.499 -3.906 367 HG SER 50 HG SER 50 -19.602 -5.881 -4.244 368 H SER 51 H SER 51 -15.342 -5.257 -4.798 369 HA SER 51 HA SER 51 -16.445 -3.450 -6.683 370 1HB SER 51 1HB SER 51 -18.093 -3.107 -4.811 371 2HB SER 51 2HB SER 51 -16.760 -2.476 -3.830 372 HG SER 51 HG SER 51 -18.010 -0.872 -5.012 373 H VAL 52 H VAL 52 -15.488 -1.201 -6.436 374 HA VAL 52 HA VAL 52 -12.545 -1.401 -5.968 375 HB VAL 52 HB VAL 52 -12.999 -1.172 -8.294 376 1HG1 VAL 52 1HG1 VAL 52 -15.241 -0.089 -8.258 377 2HG1 VAL 52 2HG1 VAL 52 -14.472 1.448 -7.800 378 3HG1 VAL 52 3HG1 VAL 52 -14.102 0.695 -9.358 379 1HG2 VAL 52 1HG2 VAL 52 -11.988 1.495 -7.238 380 2HG2 VAL 52 2HG2 VAL 52 -11.034 -0.006 -7.331 381 3HG2 VAL 52 3HG2 VAL 52 -11.633 0.761 -8.811 382 H THR 53 H THR 53 -11.897 -0.374 -4.231 383 HA THR 53 HA THR 53 -12.757 2.344 -3.546 384 HB THR 53 HB THR 53 -13.121 0.223 -1.397 385 HG1 THR 53 HG1 THR 53 -14.879 1.176 -3.347 386 1HG2 THR 53 1HG2 THR 53 -14.434 2.024 -0.327 387 2HG2 THR 53 2HG2 THR 53 -14.095 3.108 -1.694 388 3HG2 THR 53 3HG2 THR 53 -12.779 2.571 -0.626 389 HA PRO 54 HA PRO 54 -8.367 0.836 -2.798 390 1HB PRO 54 1HB PRO 54 -6.991 2.570 -4.417 391 2HB PRO 54 2HB PRO 54 -7.774 1.080 -5.010 392 1HG PRO 54 1HG PRO 54 -8.897 3.900 -5.045 393 2HG PRO 54 2HG PRO 54 -8.788 2.737 -6.409 394 1HD PRO 54 1HD PRO 54 -11.062 2.999 -4.974 395 2HD PRO 54 2HD PRO 54 -10.485 1.383 -5.497 396 H GLU 55 H GLU 55 -9.785 4.086 -2.627 397 HA GLU 55 HA GLU 55 -7.977 5.461 -1.143 398 1HB GLU 55 1HB GLU 55 -10.943 5.458 -1.457 399 2HB GLU 55 2HB GLU 55 -10.383 6.253 0.005 400 1HG GLU 55 1HG GLU 55 -10.613 7.758 -2.027 401 2HG GLU 55 2HG GLU 55 -9.064 7.825 -1.168 402 H SER 56 H SER 56 -9.603 2.621 0.269 403 HA SER 56 HA SER 56 -8.820 3.389 2.977 404 1HB SER 56 1HB SER 56 -9.516 0.696 1.800 405 2HB SER 56 2HB SER 56 -9.476 1.142 3.488 406 HG SER 56 HG SER 56 -11.640 1.180 2.487 407 H LEU 57 H LEU 57 -7.459 1.351 0.307 408 HA LEU 57 HA LEU 57 -5.323 0.289 2.001 409 1HB LEU 57 1HB LEU 57 -5.540 0.474 -1.007 410 2HB LEU 57 2HB LEU 57 -4.297 -0.403 -0.127 411 HG LEU 57 HG LEU 57 -7.260 -1.087 -0.299 412 1HD1 LEU 57 1HD1 LEU 57 -5.874 -3.242 -1.251 413 2HD1 LEU 57 2HD1 LEU 57 -4.750 -1.936 -1.678 414 3HD1 LEU 57 3HD1 LEU 57 -6.400 -1.875 -2.282 415 1HD2 LEU 57 1HD2 LEU 57 -6.414 -1.730 1.930 416 2HD2 LEU 57 2HD2 LEU 57 -5.104 -2.674 1.187 417 3HD2 LEU 57 3HD2 LEU 57 -6.794 -3.136 0.919 418 H ARG 58 H ARG 58 -5.504 2.961 -0.458 419 HA ARG 58 HA ARG 58 -2.936 4.009 -0.222 420 1HB ARG 58 1HB ARG 58 -4.861 4.825 -1.683 421 2HB ARG 58 2HB ARG 58 -5.562 5.566 -0.287 422 1HG ARG 58 1HG ARG 58 -2.965 6.499 -0.188 423 2HG ARG 58 2HG ARG 58 -3.211 6.400 -1.924 424 1HD ARG 58 1HD ARG 58 -5.073 7.862 0.003 425 2HD ARG 58 2HD ARG 58 -3.712 8.620 -0.787 426 HE ARG 58 HE ARG 58 -6.111 7.464 -2.252 427 1HH1 ARG 58 1HH1 ARG 58 -3.485 9.829 -2.173 428 2HH1 ARG 58 2HH1 ARG 58 -4.084 10.662 -3.575 429 1HH2 ARG 58 1HH2 ARG 58 -6.774 8.416 -3.983 430 2HH2 ARG 58 2HH2 ARG 58 -5.973 9.842 -4.654 431 H LYS 59 H LYS 59 -5.760 4.572 1.924 432 HA LYS 59 HA LYS 59 -4.385 6.253 3.803 433 1HB LYS 59 1HB LYS 59 -7.032 4.852 3.584 434 2HB LYS 59 2HB LYS 59 -6.500 5.289 5.181 435 1HG LYS 59 1HG LYS 59 -7.968 6.964 4.031 436 2HG LYS 59 2HG LYS 59 -6.489 7.603 4.735 437 1HD LYS 59 1HD LYS 59 -5.501 8.088 2.710 438 2HD LYS 59 2HD LYS 59 -6.382 6.862 1.818 439 1HE LYS 59 1HE LYS 59 -7.597 9.447 2.837 440 2HE LYS 59 2HE LYS 59 -7.041 9.130 1.187 441 1HZ LYS 59 1HZ LYS 59 -9.371 8.662 1.237 442 2HZ LYS 59 2HZ LYS 59 -9.233 7.735 2.596 443 3HZ LYS 59 3HZ LYS 59 -8.610 7.184 1.208 444 H ALA 60 H ALA 60 -4.827 2.631 3.789 445 HA ALA 60 HA ALA 60 -3.606 2.295 6.375 446 1HB ALA 60 1HB ALA 60 -4.859 0.541 5.144 447 2HB ALA 60 2HB ALA 60 -3.565 0.468 3.929 448 3HB ALA 60 3HB ALA 60 -3.229 0.015 5.615 449 H ILE 61 H ILE 61 -2.193 2.859 3.167 450 HA ILE 61 HA ILE 61 0.533 2.564 4.078 451 HB ILE 61 HB ILE 61 -0.457 4.047 1.594 452 1HG1 ILE 61 1HG1 ILE 61 0.380 1.130 1.785 453 2HG1 ILE 61 2HG1 ILE 61 -1.260 1.677 1.660 454 1HG2 ILE 61 1HG2 ILE 61 2.227 2.802 2.309 455 2HG2 ILE 61 2HG2 ILE 61 1.804 3.452 0.714 456 3HG2 ILE 61 3HG2 ILE 61 1.870 4.516 2.078 457 1HD1 ILE 61 1HD1 ILE 61 -0.633 0.969 -0.493 458 2HD1 ILE 61 2HD1 ILE 61 -0.765 2.737 -0.530 459 3HD1 ILE 61 3HD1 ILE 61 0.835 1.954 -0.491 460 H GLU 62 H GLU 62 -1.393 5.542 3.285 461 HA GLU 62 HA GLU 62 0.416 7.408 4.349 462 1HB GLU 62 1HB GLU 62 -2.621 7.538 4.075 463 2HB GLU 62 2HB GLU 62 -1.576 8.904 4.512 464 1HG GLU 62 1HG GLU 62 -0.287 8.651 2.502 465 2HG GLU 62 2HG GLU 62 -1.267 7.263 2.003 466 H ALA 63 H ALA 63 -1.494 5.148 6.185 467 HA ALA 63 HA ALA 63 -1.142 6.693 8.659 468 1HB ALA 63 1HB ALA 63 -3.283 5.518 8.218 469 2HB ALA 63 2HB ALA 63 -2.408 3.968 8.132 470 3HB ALA 63 3HB ALA 63 -2.483 4.869 9.661 471 H VAL 64 H VAL 64 0.982 4.887 6.997 472 HA VAL 64 HA VAL 64 2.132 3.552 9.394 473 HB VAL 64 HB VAL 64 2.028 2.448 7.002 474 1HG1 VAL 64 1HG1 VAL 64 4.751 3.625 6.686 475 2HG1 VAL 64 2HG1 VAL 64 3.862 2.459 5.670 476 3HG1 VAL 64 3HG1 VAL 64 3.271 4.135 5.841 477 1HG2 VAL 64 1HG2 VAL 64 3.979 1.064 7.691 478 2HG2 VAL 64 2HG2 VAL 64 4.603 2.406 8.690 479 3HG2 VAL 64 3HG2 VAL 64 3.121 1.542 9.170 480 H SER 65 H SER 65 2.887 6.162 7.080 481 HA SER 65 HA SER 65 4.439 7.374 9.269 482 1HB SER 65 1HB SER 65 5.728 7.751 6.626 483 2HB SER 65 2HB SER 65 6.327 7.722 8.271 484 HG SER 65 HG SER 65 7.146 6.061 7.168 485 HA PRO 66 HA PRO 66 1.194 9.937 7.152 486 1HB PRO 66 1HB PRO 66 0.223 11.056 9.599 487 2HB PRO 66 2HB PRO 66 -0.503 9.751 8.626 488 1HG PRO 66 1HG PRO 66 1.327 9.544 11.013 489 2HG PRO 66 2HG PRO 66 -0.070 8.503 10.578 490 1HD PRO 66 1HD PRO 66 2.425 7.607 10.126 491 2HD PRO 66 2HD PRO 66 1.207 7.388 8.884 492 H GLY 67 H GLY 67 1.162 12.034 6.588 493 1HA GLY 67 1HA GLY 67 1.782 14.283 6.452 494 2HA GLY 67 2HA GLY 67 2.772 14.100 7.926 495 H LEU 68 H LEU 68 4.243 11.809 6.891 496 HA LEU 68 HA LEU 68 6.155 13.113 5.014 497 1HB LEU 68 1HB LEU 68 7.044 12.239 7.049 498 2HB LEU 68 2HB LEU 68 6.202 10.708 6.873 499 HG LEU 68 HG LEU 68 7.669 9.955 5.149 500 1HD1 LEU 68 1HD1 LEU 68 9.614 11.277 4.370 501 2HD1 LEU 68 2HD1 LEU 68 8.976 12.711 5.216 502 3HD1 LEU 68 3HD1 LEU 68 8.089 11.990 3.852 503 1HD2 LEU 68 1HD2 LEU 68 9.795 9.952 6.394 504 2HD2 LEU 68 2HD2 LEU 68 8.427 9.819 7.523 505 3HD2 LEU 68 3HD2 LEU 68 9.275 11.367 7.330 506 H TYR 69 H TYR 69 4.064 10.208 5.286 507 HA TYR 69 HA TYR 69 4.660 9.291 2.613 508 1HB TYR 69 1HB TYR 69 2.664 8.481 4.727 509 2HB TYR 69 2HB TYR 69 2.458 7.979 3.054 510 HD1 TYR 69 HD1 TYR 69 2.509 5.739 3.557 511 HD2 TYR 69 HD2 TYR 69 5.926 8.190 4.416 512 HE1 TYR 69 HE1 TYR 69 3.893 3.732 3.562 513 HE2 TYR 69 HE2 TYR 69 7.269 6.158 4.737 514 HH TYR 69 HH TYR 69 5.815 2.886 4.111 515 H ARG 70 H ARG 70 4.306 10.964 1.210 516 HA ARG 70 HA ARG 70 1.615 11.929 0.438 517 1HB ARG 70 1HB ARG 70 4.381 12.082 -0.526 518 2HB ARG 70 2HB ARG 70 3.250 11.621 -1.795 519 1HG ARG 70 1HG ARG 70 1.834 13.515 -1.333 520 2HG ARG 70 2HG ARG 70 2.994 14.125 -0.101 521 1HD ARG 70 1HD ARG 70 4.733 14.195 -1.823 522 2HD ARG 70 2HD ARG 70 3.627 13.369 -2.953 523 HE ARG 70 HE ARG 70 2.442 15.806 -2.100 524 1HH1 ARG 70 1HH1 ARG 70 5.057 14.676 -4.253 525 2HH1 ARG 70 2HH1 ARG 70 4.788 15.927 -5.398 526 1HH2 ARG 70 1HH2 ARG 70 2.122 17.385 -3.657 527 2HH2 ARG 70 2HH2 ARG 70 3.160 17.467 -5.062 528 H VAL 71 H VAL 71 0.032 10.050 -0.139 529 HA VAL 71 HA VAL 71 1.388 8.032 -1.937 530 HB VAL 71 HB VAL 71 -0.900 7.400 -0.103 531 1HG1 VAL 71 1HG1 VAL 71 -0.805 5.897 -2.031 532 2HG1 VAL 71 2HG1 VAL 71 0.926 5.608 -1.754 533 3HG1 VAL 71 3HG1 VAL 71 -0.283 5.050 -0.579 534 1HG2 VAL 71 1HG2 VAL 71 1.183 7.909 1.211 535 2HG2 VAL 71 2HG2 VAL 71 0.769 6.200 1.281 536 3HG2 VAL 71 3HG2 VAL 71 2.063 6.805 0.211 537 H SER 72 H SER 72 0.590 7.498 -3.767 538 HA SER 72 HA SER 72 -2.137 8.472 -4.536 539 1HB SER 72 1HB SER 72 0.457 8.752 -6.090 540 2HB SER 72 2HB SER 72 -1.157 9.184 -6.652 541 HG SER 72 HG SER 72 0.185 10.285 -4.410 542 H ILE 73 H ILE 73 -3.021 7.350 -6.377 543 HA ILE 73 HA ILE 73 -2.264 4.477 -6.558 544 HB ILE 73 HB ILE 73 -4.673 6.066 -7.527 545 1HG1 ILE 73 1HG1 ILE 73 -4.659 3.981 -5.337 546 2HG1 ILE 73 2HG1 ILE 73 -4.398 5.677 -4.962 547 1HG2 ILE 73 1HG2 ILE 73 -4.236 4.082 -8.976 548 2HG2 ILE 73 2HG2 ILE 73 -4.236 3.039 -7.539 549 3HG2 ILE 73 3HG2 ILE 73 -5.710 3.877 -8.049 550 1HD1 ILE 73 1HD1 ILE 73 -6.573 6.286 -5.919 551 2HD1 ILE 73 2HD1 ILE 73 -6.894 4.579 -6.290 552 3HD1 ILE 73 3HD1 ILE 73 -6.722 5.104 -4.607 553 H THR 74 H THR 74 -1.123 3.747 -8.289 554 HA THR 74 HA THR 74 -1.290 5.321 -10.820 555 HB THR 74 HB THR 74 0.773 5.792 -9.737 556 HG1 THR 74 HG1 THR 74 1.935 5.385 -11.599 557 1HG2 THR 74 1HG2 THR 74 2.589 4.252 -9.494 558 2HG2 THR 74 2HG2 THR 74 1.637 2.906 -10.137 559 3HG2 THR 74 3HG2 THR 74 1.228 3.614 -8.555 560 H SER 75 H SER 75 -2.544 4.229 -12.090 561 HA SER 75 HA SER 75 -1.862 1.435 -12.788 562 1HB SER 75 1HB SER 75 -4.341 0.883 -12.720 563 2HB SER 75 2HB SER 75 -3.556 1.093 -11.158 564 HG SER 75 HG SER 75 -5.126 3.060 -12.474 565 H GLU 76 H GLU 76 -2.722 0.751 -14.851 566 HA GLU 76 HA GLU 76 -2.690 2.919 -16.756 567 1HB GLU 76 1HB GLU 76 -1.462 0.706 -16.817 568 2HB GLU 76 2HB GLU 76 -2.963 -0.034 -17.384 569 1HG GLU 76 1HG GLU 76 -2.979 1.497 -19.334 570 2HG GLU 76 2HG GLU 76 -1.575 2.363 -18.694 571 H VAL 77 H VAL 77 -4.635 3.666 -15.688 572 HA VAL 77 HA VAL 77 -7.272 2.740 -16.457 573 HB VAL 77 HB VAL 77 -6.427 5.543 -15.620 574 1HG1 VAL 77 1HG1 VAL 77 -8.777 5.618 -14.632 575 2HG1 VAL 77 2HG1 VAL 77 -8.747 5.674 -16.377 576 3HG1 VAL 77 3HG1 VAL 77 -9.149 4.148 -15.555 577 1HG2 VAL 77 1HG2 VAL 77 -7.321 3.159 -13.930 578 2HG2 VAL 77 2HG2 VAL 77 -5.713 3.896 -13.917 579 3HG2 VAL 77 3HG2 VAL 77 -7.082 4.814 -13.323 Start of MODEL 11 1 1H ASN 1 1HT ASN 1 -14.156 -13.532 -6.828 2 HA ASN 1 HA ASN 1 -11.336 -13.643 -7.780 3 1HB ASN 1 1HB ASN 1 -13.606 -11.895 -8.832 4 2HB ASN 1 2HB ASN 1 -11.914 -11.431 -8.963 5 1HD2 ASN 1 1HD2 ASN 1 -12.241 -14.892 -9.438 6 2HD2 ASN 1 2HD2 ASN 1 -12.212 -14.755 -11.190 7 H ASP 2 H ASP 2 -10.017 -12.366 -6.562 8 HA ASP 2 HA ASP 2 -11.085 -10.580 -4.519 9 1HB ASP 2 1HB ASP 2 -8.283 -11.407 -5.322 10 2HB ASP 2 2HB ASP 2 -8.697 -10.271 -4.032 11 H SER 3 H SER 3 -10.217 -8.366 -4.426 12 HA SER 3 HA SER 3 -10.095 -7.028 -7.083 13 1HB SER 3 1HB SER 3 -11.734 -6.183 -5.412 14 2HB SER 3 2HB SER 3 -10.395 -5.806 -4.318 15 HG SER 3 HG SER 3 -11.066 -4.024 -5.562 16 H THR 4 H THR 4 -8.538 -5.038 -6.864 17 HA THR 4 HA THR 4 -5.954 -5.524 -5.639 18 HB THR 4 HB THR 4 -6.437 -6.483 -8.460 19 HG1 THR 4 HG1 THR 4 -6.325 -7.701 -6.372 20 1HG2 THR 4 1HG2 THR 4 -3.724 -5.705 -7.288 21 2HG2 THR 4 2HG2 THR 4 -4.482 -4.999 -8.742 22 3HG2 THR 4 3HG2 THR 4 -3.973 -6.690 -8.743 23 H ALA 5 H ALA 5 -4.513 -3.873 -5.951 24 HA ALA 5 HA ALA 5 -5.039 -1.679 -7.774 25 1HB ALA 5 1HB ALA 5 -5.233 0.006 -5.903 26 2HB ALA 5 2HB ALA 5 -6.621 -1.107 -6.008 27 3HB ALA 5 3HB ALA 5 -5.375 -1.352 -4.766 28 H THR 6 H THR 6 -3.364 -0.033 -7.666 29 HA THR 6 HA THR 6 -0.799 -0.889 -6.417 30 HB THR 6 HB THR 6 -1.101 0.447 -9.111 31 HG1 THR 6 HG1 THR 6 -0.496 -1.606 -9.889 32 1HG2 THR 6 1HG2 THR 6 1.298 -0.221 -9.345 33 2HG2 THR 6 2HG2 THR 6 1.267 -0.775 -7.648 34 3HG2 THR 6 3HG2 THR 6 1.019 0.939 -8.036 35 H PHE 7 H PHE 7 0.321 0.598 -5.474 36 HA PHE 7 HA PHE 7 -0.528 3.448 -5.557 37 1HB PHE 7 1HB PHE 7 0.195 2.077 -2.958 38 2HB PHE 7 2HB PHE 7 -0.504 3.657 -3.224 39 HD1 PHE 7 HD1 PHE 7 -1.403 -0.039 -3.362 40 HD2 PHE 7 HD2 PHE 7 -2.851 4.047 -3.464 41 HE1 PHE 7 HE1 PHE 7 -3.667 -0.845 -3.374 42 HE2 PHE 7 HE2 PHE 7 -5.159 3.191 -3.482 43 HZ PHE 7 HZ PHE 7 -5.591 0.747 -3.412 44 H ILE 8 H ILE 8 1.046 4.939 -5.176 45 HA ILE 8 HA ILE 8 3.815 4.018 -4.646 46 HB ILE 8 HB ILE 8 3.220 4.736 -7.096 47 1HG1 ILE 8 1HG1 ILE 8 5.466 6.393 -5.896 48 2HG1 ILE 8 2HG1 ILE 8 5.508 4.635 -5.824 49 1HG2 ILE 8 1HG2 ILE 8 3.226 7.134 -7.583 50 2HG2 ILE 8 2HG2 ILE 8 1.879 6.716 -6.512 51 3HG2 ILE 8 3HG2 ILE 8 3.322 7.519 -5.846 52 1HD1 ILE 8 1HD1 ILE 8 5.265 6.122 -8.426 53 2HD1 ILE 8 2HD1 ILE 8 6.747 5.397 -7.755 54 3HD1 ILE 8 3HD1 ILE 8 5.373 4.353 -8.174 55 H ILE 9 H ILE 9 5.025 5.250 -3.392 56 HA ILE 9 HA ILE 9 3.572 7.276 -1.773 57 HB ILE 9 HB ILE 9 6.069 5.670 -1.055 58 1HG1 ILE 9 1HG1 ILE 9 4.321 4.395 0.470 59 2HG1 ILE 9 2HG1 ILE 9 3.143 4.869 -0.660 60 1HG2 ILE 9 1HG2 ILE 9 5.784 7.632 0.352 61 2HG2 ILE 9 2HG2 ILE 9 4.064 7.237 0.616 62 3HG2 ILE 9 3HG2 ILE 9 5.365 6.210 1.263 63 1HD1 ILE 9 1HD1 ILE 9 4.184 2.565 -0.751 64 2HD1 ILE 9 2HD1 ILE 9 4.357 3.408 -2.276 65 3HD1 ILE 9 3HD1 ILE 9 5.753 3.331 -1.118 66 H ASP 10 H ASP 10 5.061 9.086 -1.038 67 HA ASP 10 HA ASP 10 7.626 9.326 -2.406 68 1HB ASP 10 1HB ASP 10 5.435 10.474 -3.609 69 2HB ASP 10 2HB ASP 10 6.029 11.829 -2.727 70 H GLY 11 H GLY 11 9.065 10.025 -0.954 71 1HA GLY 11 1HA GLY 11 9.828 11.517 0.860 72 2HA GLY 11 2HA GLY 11 8.166 11.517 1.501 73 H MET 12 H MET 12 8.528 8.467 0.533 74 HA MET 12 HA MET 12 8.968 7.270 3.055 75 1HB MET 12 1HB MET 12 8.942 5.160 1.798 76 2HB MET 12 2HB MET 12 7.701 6.202 1.239 77 1HG MET 12 1HG MET 12 10.389 5.807 -0.130 78 2HG MET 12 2HG MET 12 8.925 4.954 -0.512 79 1HE MET 12 1HE MET 12 11.162 7.194 -2.010 80 2HE MET 12 2HE MET 12 10.340 8.698 -2.489 81 3HE MET 12 3HE MET 12 10.852 8.456 -0.807 82 H HIS 13 H HIS 13 10.677 6.366 4.026 83 HA HIS 13 HA HIS 13 13.010 7.680 4.011 84 1HB HIS 13 1HB HIS 13 12.741 4.771 4.793 85 2HB HIS 13 2HB HIS 13 14.028 5.856 5.303 86 HD1 HIS 13 HD1 HIS 13 12.908 4.870 7.766 87 HD2 HIS 13 HD2 HIS 13 10.976 7.906 5.606 88 HE1 HIS 13 HE1 HIS 13 11.264 5.969 9.372 89 H CYS 14 H CYS 14 12.690 4.702 2.062 90 HA CYS 14 HA CYS 14 14.539 4.917 0.173 91 1HB CYS 14 1HB CYS 14 16.721 3.919 0.987 92 2HB CYS 14 2HB CYS 14 16.418 5.536 1.542 93 HG CYS 14 HG CYS 14 17.503 4.568 3.543 94 H LYS 15 H LYS 15 14.622 2.602 2.774 95 HA LYS 15 HA LYS 15 13.930 0.275 1.000 96 1HB LYS 15 1HB LYS 15 16.486 1.118 2.218 97 2HB LYS 15 2HB LYS 15 15.970 -0.409 2.917 98 1HG LYS 15 1HG LYS 15 17.453 -0.815 1.093 99 2HG LYS 15 2HG LYS 15 15.864 -1.446 0.682 100 1HD LYS 15 1HD LYS 15 16.440 1.358 -0.226 101 2HD LYS 15 2HD LYS 15 17.434 0.104 -0.965 102 1HE LYS 15 1HE LYS 15 15.611 -1.027 -1.949 103 2HE LYS 15 2HE LYS 15 14.452 -0.351 -0.837 104 1HZ LYS 15 1HZ LYS 15 14.576 1.749 -1.887 105 2HZ LYS 15 2HZ LYS 15 14.263 0.620 -3.011 106 3HZ LYS 15 3HZ LYS 15 15.767 1.265 -2.942 107 H SER 16 H SER 16 14.665 1.019 4.494 108 HA SER 16 HA SER 16 13.034 -0.958 5.606 109 1HB SER 16 1HB SER 16 13.140 1.702 6.983 110 2HB SER 16 2HB SER 16 13.472 0.080 7.608 111 HG SER 16 HG SER 16 15.430 1.160 7.477 112 H CYS 17 H CYS 17 11.853 1.907 3.966 113 HA CYS 17 HA CYS 17 9.210 2.055 5.116 114 1HB CYS 17 1HB CYS 17 8.755 3.065 2.818 115 2HB CYS 17 2HB CYS 17 9.968 3.873 3.811 116 HG CYS 17 HG CYS 17 10.282 1.944 1.130 117 H VAL 18 H VAL 18 10.655 0.050 2.569 118 HA VAL 18 HA VAL 18 8.281 -0.811 1.335 119 HB VAL 18 HB VAL 18 11.064 -2.083 1.543 120 1HG1 VAL 18 1HG1 VAL 18 8.944 -2.674 -0.531 121 2HG1 VAL 18 2HG1 VAL 18 10.594 -3.318 -0.498 122 3HG1 VAL 18 3HG1 VAL 18 9.457 -3.797 0.759 123 1HG2 VAL 18 1HG2 VAL 18 11.118 0.161 0.549 124 2HG2 VAL 18 2HG2 VAL 18 11.432 -1.054 -0.684 125 3HG2 VAL 18 3HG2 VAL 18 9.832 -0.287 -0.589 126 H SER 19 H SER 19 10.254 -2.410 3.823 127 HA SER 19 HA SER 19 8.664 -4.793 4.137 128 1HB SER 19 1HB SER 19 11.052 -4.492 4.785 129 2HB SER 19 2HB SER 19 10.592 -3.276 5.984 130 HG SER 19 HG SER 19 9.732 -6.006 6.028 131 H ASN 20 H ASN 20 8.472 -1.611 5.840 132 HA ASN 20 HA ASN 20 6.429 -2.426 7.707 133 1HB ASN 20 1HB ASN 20 6.790 0.231 6.338 134 2HB ASN 20 2HB ASN 20 5.843 -0.041 7.743 135 1HD2 ASN 20 1HD2 ASN 20 8.457 1.423 6.917 136 2HD2 ASN 20 2HD2 ASN 20 9.526 1.080 8.259 137 H ILE 21 H ILE 21 6.307 -1.276 4.304 138 HA ILE 21 HA ILE 21 3.408 -0.974 4.391 139 HB ILE 21 HB ILE 21 4.761 -1.292 1.738 140 1HG1 ILE 21 1HG1 ILE 21 5.562 0.857 3.728 141 2HG1 ILE 21 2HG1 ILE 21 6.421 -0.014 2.469 142 1HG2 ILE 21 1HG2 ILE 21 2.632 0.586 2.849 143 2HG2 ILE 21 2HG2 ILE 21 3.106 0.438 1.133 144 3HG2 ILE 21 3HG2 ILE 21 2.337 -0.911 1.948 145 1HD1 ILE 21 1HD1 ILE 21 5.434 1.229 0.681 146 2HD1 ILE 21 2HD1 ILE 21 4.531 2.229 1.844 147 3HD1 ILE 21 3HD1 ILE 21 6.306 2.269 1.814 148 H GLU 22 H GLU 22 5.541 -3.658 3.538 149 HA GLU 22 HA GLU 22 3.540 -5.505 2.639 150 1HB GLU 22 1HB GLU 22 6.178 -5.729 4.125 151 2HB GLU 22 2HB GLU 22 5.217 -7.146 3.833 152 1HG GLU 22 1HG GLU 22 5.360 -6.827 1.426 153 2HG GLU 22 2HG GLU 22 6.137 -5.257 1.666 154 H SER 23 H SER 23 4.900 -4.967 5.934 155 HA SER 23 HA SER 23 3.090 -6.785 7.148 156 1HB SER 23 1HB SER 23 5.309 -6.053 8.061 157 2HB SER 23 2HB SER 23 4.608 -4.462 8.414 158 HG SER 23 HG SER 23 2.933 -5.889 9.598 159 H THR 24 H THR 24 2.832 -3.230 7.038 160 HA THR 24 HA THR 24 0.594 -3.141 8.856 161 HB THR 24 HB THR 24 1.837 -1.050 6.977 162 HG1 THR 24 HG1 THR 24 1.881 -1.369 9.795 163 1HG2 THR 24 1HG2 THR 24 -0.264 -0.705 9.176 164 2HG2 THR 24 2HG2 THR 24 -0.445 -0.309 7.454 165 3HG2 THR 24 3HG2 THR 24 0.684 0.616 8.448 166 H LEU 25 H LEU 25 0.887 -3.278 5.343 167 HA LEU 25 HA LEU 25 -2.003 -3.067 4.972 168 1HB LEU 25 1HB LEU 25 0.278 -3.878 3.176 169 2HB LEU 25 2HB LEU 25 -1.373 -3.978 2.656 170 HG LEU 25 HG LEU 25 0.129 -1.877 2.065 171 1HD1 LEU 25 1HD1 LEU 25 -2.812 -1.796 2.793 172 2HD1 LEU 25 2HD1 LEU 25 -2.065 -2.238 1.241 173 3HD1 LEU 25 3HD1 LEU 25 -1.983 -0.573 1.814 174 1HD2 LEU 25 1HD2 LEU 25 -0.351 0.092 3.491 175 2HD2 LEU 25 2HD2 LEU 25 0.653 -1.082 4.330 176 3HD2 LEU 25 3HD2 LEU 25 -1.087 -0.932 4.702 177 H SER 26 H SER 26 0.376 -5.869 4.957 178 HA SER 26 HA SER 26 -1.797 -7.679 4.302 179 1HB SER 26 1HB SER 26 0.575 -8.108 3.717 180 2HB SER 26 2HB SER 26 0.956 -8.350 5.419 181 HG SER 26 HG SER 26 -0.741 -9.971 5.383 182 H ALA 27 H ALA 27 -1.958 -6.047 6.855 183 HA ALA 27 HA ALA 27 -2.683 -8.206 8.799 184 1HB ALA 27 1HB ALA 27 -2.374 -6.445 10.529 185 2HB ALA 27 2HB ALA 27 -0.879 -6.708 9.607 186 3HB ALA 27 3HB ALA 27 -1.889 -5.286 9.270 187 H LEU 28 H LEU 28 -4.040 -6.079 6.473 188 HA LEU 28 HA LEU 28 -6.125 -5.023 8.173 189 1HB LEU 28 1HB LEU 28 -5.892 -5.054 5.147 190 2HB LEU 28 2HB LEU 28 -7.046 -4.108 6.065 191 HG LEU 28 HG LEU 28 -4.062 -3.744 6.519 192 1HD1 LEU 28 1HD1 LEU 28 -4.725 -3.497 4.023 193 2HD1 LEU 28 2HD1 LEU 28 -3.883 -2.174 4.811 194 3HD1 LEU 28 3HD1 LEU 28 -5.615 -2.044 4.561 195 1HD2 LEU 28 1HD2 LEU 28 -5.589 -2.738 8.160 196 2HD2 LEU 28 2HD2 LEU 28 -6.441 -1.885 6.850 197 3HD2 LEU 28 3HD2 LEU 28 -4.733 -1.510 7.211 198 H GLN 29 H GLN 29 -8.078 -5.931 8.626 199 HA GLN 29 HA GLN 29 -8.537 -8.647 8.157 200 1HB GLN 29 1HB GLN 29 -9.446 -7.250 10.007 201 2HB GLN 29 2HB GLN 29 -10.608 -6.525 8.884 202 1HG GLN 29 1HG GLN 29 -11.706 -8.679 8.550 203 2HG GLN 29 2HG GLN 29 -10.439 -9.519 9.449 204 1HE2 GLN 29 1HE2 GLN 29 -12.900 -10.090 10.321 205 2HE2 GLN 29 2HE2 GLN 29 -13.227 -9.197 11.814 206 H TYR 30 H TYR 30 -9.220 -6.111 5.900 207 HA TYR 30 HA TYR 30 -10.938 -7.903 4.262 208 1HB TYR 30 1HB TYR 30 -11.118 -5.847 2.809 209 2HB TYR 30 2HB TYR 30 -11.879 -5.794 4.390 210 HD1 TYR 30 HD1 TYR 30 -8.298 -4.988 3.230 211 HD2 TYR 30 HD2 TYR 30 -11.882 -3.668 5.274 212 HE1 TYR 30 HE1 TYR 30 -7.306 -2.814 3.586 213 HE2 TYR 30 HE2 TYR 30 -10.802 -1.483 5.732 214 HH TYR 30 HH TYR 30 -7.536 -0.668 4.499 215 H VAL 31 H VAL 31 -7.530 -7.531 4.438 216 HA VAL 31 HA VAL 31 -7.331 -7.379 1.455 217 HB VAL 31 HB VAL 31 -5.937 -5.761 2.727 218 1HG1 VAL 31 1HG1 VAL 31 -4.364 -8.188 3.442 219 2HG1 VAL 31 2HG1 VAL 31 -3.876 -6.476 3.519 220 3HG1 VAL 31 3HG1 VAL 31 -5.248 -7.032 4.504 221 1HG2 VAL 31 1HG2 VAL 31 -4.284 -7.714 1.040 222 2HG2 VAL 31 2HG2 VAL 31 -5.302 -6.401 0.363 223 3HG2 VAL 31 3HG2 VAL 31 -3.900 -6.037 1.372 224 H SER 32 H SER 32 -6.507 -9.022 0.221 225 HA SER 32 HA SER 32 -6.502 -11.704 1.458 226 1HB SER 32 1HB SER 32 -6.527 -10.865 -1.477 227 2HB SER 32 2HB SER 32 -6.891 -12.471 -0.806 228 HG SER 32 HG SER 32 -8.823 -11.452 -1.233 229 H SER 33 H SER 33 -4.303 -9.427 -0.052 230 HA SER 33 HA SER 33 -1.869 -10.869 0.353 231 1HB SER 33 1HB SER 33 -3.330 -11.298 -2.209 232 2HB SER 33 2HB SER 33 -1.606 -11.141 -2.318 233 HG SER 33 HG SER 33 -3.001 -12.888 -0.558 234 H ILE 34 H ILE 34 -0.135 -10.004 -1.126 235 HA ILE 34 HA ILE 34 -0.216 -7.322 -2.122 236 HB ILE 34 HB ILE 34 -0.524 -6.773 0.254 237 1HG1 ILE 34 1HG1 ILE 34 2.332 -6.030 -0.471 238 2HG1 ILE 34 2HG1 ILE 34 0.923 -5.347 -1.294 239 1HG2 ILE 34 1HG2 ILE 34 2.111 -8.228 0.763 240 2HG2 ILE 34 2HG2 ILE 34 1.226 -7.255 1.941 241 3HG2 ILE 34 3HG2 ILE 34 0.504 -8.739 1.327 242 1HD1 ILE 34 1HD1 ILE 34 1.704 -3.847 0.458 243 2HD1 ILE 34 2HD1 ILE 34 0.083 -4.465 0.846 244 3HD1 ILE 34 3HD1 ILE 34 1.506 -5.108 1.685 245 H VAL 35 H VAL 35 1.689 -6.639 -2.959 246 HA VAL 35 HA VAL 35 4.236 -8.089 -2.624 247 HB VAL 35 HB VAL 35 2.835 -7.558 -5.293 248 1HG1 VAL 35 1HG1 VAL 35 5.053 -6.637 -5.645 249 2HG1 VAL 35 2HG1 VAL 35 5.815 -8.063 -4.892 250 3HG1 VAL 35 3HG1 VAL 35 4.963 -8.199 -6.446 251 1HG2 VAL 35 1HG2 VAL 35 3.559 -9.931 -5.746 252 2HG2 VAL 35 2HG2 VAL 35 4.259 -9.984 -4.110 253 3HG2 VAL 35 3HG2 VAL 35 2.498 -9.817 -4.340 254 H VAL 36 H VAL 36 5.985 -6.631 -2.966 255 HA VAL 36 HA VAL 36 5.279 -3.831 -3.634 256 HB VAL 36 HB VAL 36 5.073 -4.056 -1.171 257 1HG1 VAL 36 1HG1 VAL 36 7.176 -4.201 0.146 258 2HG1 VAL 36 2HG1 VAL 36 6.746 -5.713 -0.689 259 3HG1 VAL 36 3HG1 VAL 36 8.045 -4.682 -1.320 260 1HG2 VAL 36 1HG2 VAL 36 6.320 -2.063 -0.547 261 2HG2 VAL 36 2HG2 VAL 36 7.296 -2.165 -2.024 262 3HG2 VAL 36 3HG2 VAL 36 5.552 -1.867 -2.118 263 H SER 37 H SER 37 6.965 -2.489 -4.187 264 HA SER 37 HA SER 37 9.067 -3.791 -5.794 265 1HB SER 37 1HB SER 37 8.750 -0.829 -5.255 266 2HB SER 37 2HB SER 37 9.482 -1.587 -6.670 267 HG SER 37 HG SER 37 6.736 -1.547 -5.882 268 H LEU 38 H LEU 38 11.079 -4.339 -4.799 269 HA LEU 38 HA LEU 38 11.806 -2.947 -2.336 270 1HB LEU 38 1HB LEU 38 12.601 -5.397 -3.501 271 2HB LEU 38 2HB LEU 38 14.047 -4.364 -3.523 272 HG LEU 38 HG LEU 38 12.332 -4.886 -1.058 273 1HD1 LEU 38 1HD1 LEU 38 14.166 -6.344 -0.311 274 2HD1 LEU 38 2HD1 LEU 38 15.029 -6.073 -1.842 275 3HD1 LEU 38 3HD1 LEU 38 13.473 -6.934 -1.828 276 1HD2 LEU 38 1HD2 LEU 38 14.303 -3.974 0.187 277 2HD2 LEU 38 2HD2 LEU 38 13.517 -2.762 -0.819 278 3HD2 LEU 38 3HD2 LEU 38 15.040 -3.506 -1.362 279 H GLU 39 H GLU 39 13.043 -2.727 -5.749 280 HA GLU 39 HA GLU 39 14.943 -0.686 -5.208 281 1HB GLU 39 1HB GLU 39 14.673 -2.026 -7.352 282 2HB GLU 39 2HB GLU 39 13.219 -1.107 -7.692 283 1HG GLU 39 1HG GLU 39 14.844 0.982 -7.359 284 2HG GLU 39 2HG GLU 39 16.106 -0.233 -7.632 285 H ASN 40 H ASN 40 11.672 -0.422 -6.571 286 HA ASN 40 HA ASN 40 11.659 2.448 -6.214 287 1HB ASN 40 1HB ASN 40 9.961 0.463 -7.709 288 2HB ASN 40 2HB ASN 40 9.299 2.070 -7.381 289 1HD2 ASN 40 1HD2 ASN 40 11.813 0.305 -9.099 290 2HD2 ASN 40 2HD2 ASN 40 12.738 1.655 -9.595 291 H ARG 41 H ARG 41 9.614 3.550 -5.623 292 HA ARG 41 HA ARG 41 8.910 2.712 -2.880 293 1HB ARG 41 1HB ARG 41 8.165 4.968 -2.606 294 2HB ARG 41 2HB ARG 41 9.856 4.870 -3.044 295 1HG ARG 41 1HG ARG 41 7.820 5.443 -5.221 296 2HG ARG 41 2HG ARG 41 8.141 6.649 -3.990 297 1HD ARG 41 1HD ARG 41 10.686 6.181 -4.660 298 2HD ARG 41 2HD ARG 41 9.892 5.766 -6.189 299 HE ARG 41 HE ARG 41 8.986 8.280 -4.921 300 1HH1 ARG 41 1HH1 ARG 41 11.249 7.017 -7.352 301 2HH1 ARG 41 2HH1 ARG 41 11.557 8.615 -7.964 302 1HH2 ARG 41 1HH2 ARG 41 9.415 10.202 -5.706 303 2HH2 ARG 41 2HH2 ARG 41 10.449 10.428 -7.098 304 H SER 42 H SER 42 7.509 1.068 -4.636 305 HA SER 42 HA SER 42 4.716 2.035 -4.265 306 1HB SER 42 1HB SER 42 4.301 0.927 -6.609 307 2HB SER 42 2HB SER 42 4.882 2.570 -6.487 308 HG SER 42 HG SER 42 6.396 0.230 -7.164 309 H ALA 43 H ALA 43 3.085 0.499 -4.310 310 HA ALA 43 HA ALA 43 3.820 -2.345 -3.693 311 1HB ALA 43 1HB ALA 43 3.461 -1.030 -1.599 312 2HB ALA 43 2HB ALA 43 1.872 -0.493 -2.213 313 3HB ALA 43 3HB ALA 43 2.179 -2.214 -1.854 314 H ILE 44 H ILE 44 2.461 -3.862 -4.414 315 HA ILE 44 HA ILE 44 -0.009 -3.099 -5.942 316 HB ILE 44 HB ILE 44 1.876 -5.456 -6.352 317 1HG1 ILE 44 1HG1 ILE 44 1.217 -3.160 -8.259 318 2HG1 ILE 44 2HG1 ILE 44 2.651 -3.162 -7.239 319 1HG2 ILE 44 1HG2 ILE 44 -0.715 -4.680 -7.784 320 2HG2 ILE 44 2HG2 ILE 44 0.345 -6.037 -8.231 321 3HG2 ILE 44 3HG2 ILE 44 -0.504 -6.067 -6.693 322 1HD1 ILE 44 1HD1 ILE 44 3.409 -5.282 -8.322 323 2HD1 ILE 44 2HD1 ILE 44 2.031 -5.158 -9.446 324 3HD1 ILE 44 3HD1 ILE 44 3.277 -3.903 -9.433 325 H VAL 45 H VAL 45 -1.753 -3.648 -4.783 326 HA VAL 45 HA VAL 45 -1.451 -5.542 -2.449 327 HB VAL 45 HB VAL 45 -3.066 -3.021 -2.585 328 1HG1 VAL 45 1HG1 VAL 45 -2.211 -4.815 -0.239 329 2HG1 VAL 45 2HG1 VAL 45 -3.241 -3.375 -0.122 330 3HG1 VAL 45 3HG1 VAL 45 -3.835 -4.799 -0.955 331 1HG2 VAL 45 1HG2 VAL 45 -0.344 -3.370 -1.293 332 2HG2 VAL 45 2HG2 VAL 45 -0.753 -2.295 -2.643 333 3HG2 VAL 45 3HG2 VAL 45 -1.426 -1.984 -1.047 334 H VAL 46 H VAL 46 -3.168 -6.982 -2.131 335 HA VAL 46 HA VAL 46 -5.280 -7.058 -4.264 336 HB VAL 46 HB VAL 46 -3.653 -9.285 -2.984 337 1HG1 VAL 46 1HG1 VAL 46 -5.916 -10.050 -3.657 338 2HG1 VAL 46 2HG1 VAL 46 -5.563 -9.549 -5.327 339 3HG1 VAL 46 3HG1 VAL 46 -4.596 -10.828 -4.534 340 1HG2 VAL 46 1HG2 VAL 46 -3.347 -8.110 -5.761 341 2HG2 VAL 46 2HG2 VAL 46 -2.157 -8.116 -4.447 342 3HG2 VAL 46 3HG2 VAL 46 -2.617 -9.633 -5.215 343 H TYR 47 H TYR 47 -7.318 -6.947 -3.288 344 HA TYR 47 HA TYR 47 -7.608 -7.796 -0.433 345 1HB TYR 47 1HB TYR 47 -8.672 -5.749 0.174 346 2HB TYR 47 2HB TYR 47 -7.103 -5.398 -0.489 347 HD1 TYR 47 HD1 TYR 47 -6.913 -4.659 -2.947 348 HD2 TYR 47 HD2 TYR 47 -10.639 -4.666 -0.786 349 HE1 TYR 47 HE1 TYR 47 -7.821 -3.015 -4.542 350 HE2 TYR 47 HE2 TYR 47 -11.583 -3.040 -2.426 351 HH TYR 47 HH TYR 47 -9.636 -1.798 -5.171 352 H ASN 48 H ASN 48 -9.862 -8.117 0.342 353 HA ASN 48 HA ASN 48 -11.328 -9.376 -1.893 354 1HB ASN 48 1HB ASN 48 -10.670 -10.662 0.203 355 2HB ASN 48 2HB ASN 48 -11.876 -9.721 1.076 356 1HD2 ASN 48 1HD2 ASN 48 -11.341 -12.082 -1.582 357 2HD2 ASN 48 2HD2 ASN 48 -13.009 -12.631 -1.597 358 H ALA 49 H ALA 49 -12.860 -8.162 -2.826 359 HA ALA 49 HA ALA 49 -15.144 -7.164 -1.464 360 1HB ALA 49 1HB ALA 49 -13.171 -5.035 -2.441 361 2HB ALA 49 2HB ALA 49 -14.842 -4.719 -1.937 362 3HB ALA 49 3HB ALA 49 -13.668 -5.291 -0.754 363 H SER 50 H SER 50 -16.825 -6.908 -2.966 364 HA SER 50 HA SER 50 -16.326 -7.210 -5.826 365 1HB SER 50 1HB SER 50 -18.862 -6.271 -4.435 366 2HB SER 50 2HB SER 50 -18.714 -6.999 -6.045 367 HG SER 50 HG SER 50 -19.417 -8.554 -4.566 368 H SER 51 H SER 51 -15.717 -4.649 -3.851 369 HA SER 51 HA SER 51 -16.750 -2.546 -5.692 370 1HB SER 51 1HB SER 51 -16.116 -2.379 -2.724 371 2HB SER 51 2HB SER 51 -16.574 -1.019 -3.754 372 HG SER 51 HG SER 51 -18.370 -1.841 -2.673 373 H VAL 52 H VAL 52 -15.195 -1.533 -6.848 374 HA VAL 52 HA VAL 52 -12.378 -1.552 -6.141 375 HB VAL 52 HB VAL 52 -12.231 0.243 -7.968 376 1HG1 VAL 52 1HG1 VAL 52 -13.269 -2.538 -8.641 377 2HG1 VAL 52 2HG1 VAL 52 -12.344 -1.475 -9.722 378 3HG1 VAL 52 3HG1 VAL 52 -11.590 -2.107 -8.249 379 1HG2 VAL 52 1HG2 VAL 52 -14.049 0.346 -9.601 380 2HG2 VAL 52 2HG2 VAL 52 -15.057 -0.740 -8.630 381 3HG2 VAL 52 3HG2 VAL 52 -14.679 0.890 -8.042 382 H THR 53 H THR 53 -12.565 -0.879 -3.979 383 HA THR 53 HA THR 53 -12.654 2.115 -3.634 384 HB THR 53 HB THR 53 -13.211 0.046 -1.487 385 HG1 THR 53 HG1 THR 53 -14.930 1.636 -3.074 386 1HG2 THR 53 1HG2 THR 53 -14.240 2.012 -0.351 387 2HG2 THR 53 2HG2 THR 53 -13.705 3.066 -1.681 388 3HG2 THR 53 3HG2 THR 53 -12.515 2.287 -0.630 389 HA PRO 54 HA PRO 54 -8.308 0.477 -3.109 390 1HB PRO 54 1HB PRO 54 -7.015 2.249 -4.744 391 2HB PRO 54 2HB PRO 54 -7.857 0.798 -5.364 392 1HG PRO 54 1HG PRO 54 -8.953 3.628 -5.180 393 2HG PRO 54 2HG PRO 54 -8.908 2.552 -6.619 394 1HD PRO 54 1HD PRO 54 -11.117 2.691 -5.094 395 2HD PRO 54 2HD PRO 54 -10.545 1.111 -5.703 396 H GLU 55 H GLU 55 -9.880 3.624 -2.599 397 HA GLU 55 HA GLU 55 -7.610 4.799 -1.291 398 1HB GLU 55 1HB GLU 55 -10.288 5.617 -0.298 399 2HB GLU 55 2HB GLU 55 -8.889 6.558 -0.676 400 1HG GLU 55 1HG GLU 55 -10.491 7.226 -2.274 401 2HG GLU 55 2HG GLU 55 -9.540 6.039 -3.200 402 H SER 56 H SER 56 -9.535 2.168 -0.278 403 HA SER 56 HA SER 56 -9.306 2.681 2.599 404 1HB SER 56 1HB SER 56 -9.689 0.210 2.756 405 2HB SER 56 2HB SER 56 -10.951 1.010 1.792 406 HG SER 56 HG SER 56 -10.173 0.065 -0.040 407 H LEU 57 H LEU 57 -7.515 0.708 0.253 408 HA LEU 57 HA LEU 57 -5.322 0.099 1.973 409 1HB LEU 57 1HB LEU 57 -5.429 0.295 -1.051 410 2HB LEU 57 2HB LEU 57 -4.188 -0.527 -0.109 411 HG LEU 57 HG LEU 57 -7.145 -1.308 -0.340 412 1HD1 LEU 57 1HD1 LEU 57 -6.229 -2.045 -2.304 413 2HD1 LEU 57 2HD1 LEU 57 -5.740 -3.420 -1.263 414 3HD1 LEU 57 3HD1 LEU 57 -4.603 -2.103 -1.644 415 1HD2 LEU 57 1HD2 LEU 57 -6.348 -1.875 1.905 416 2HD2 LEU 57 2HD2 LEU 57 -4.940 -2.718 1.231 417 3HD2 LEU 57 3HD2 LEU 57 -6.584 -3.330 0.929 418 H ARG 58 H ARG 58 -5.620 2.801 -0.487 419 HA ARG 58 HA ARG 58 -3.192 3.958 -0.052 420 1HB ARG 58 1HB ARG 58 -3.898 5.807 -0.915 421 2HB ARG 58 2HB ARG 58 -5.160 4.772 -1.544 422 1HG ARG 58 1HG ARG 58 -6.633 5.897 0.175 423 2HG ARG 58 2HG ARG 58 -5.244 6.795 0.736 424 1HD ARG 58 1HD ARG 58 -6.117 6.935 -2.180 425 2HD ARG 58 2HD ARG 58 -6.892 7.938 -0.958 426 HE ARG 58 HE ARG 58 -4.244 8.345 -2.073 427 1HH1 ARG 58 1HH1 ARG 58 -5.995 8.742 0.953 428 2HH1 ARG 58 2HH1 ARG 58 -4.877 9.884 1.510 429 1HH2 ARG 58 1HH2 ARG 58 -2.780 9.851 -1.069 430 2HH2 ARG 58 2HH2 ARG 58 -3.237 10.434 0.527 431 H LYS 59 H LYS 59 -5.994 4.602 2.057 432 HA LYS 59 HA LYS 59 -4.573 6.076 4.025 433 1HB LYS 59 1HB LYS 59 -7.234 4.672 3.867 434 2HB LYS 59 2HB LYS 59 -6.564 4.924 5.452 435 1HG LYS 59 1HG LYS 59 -7.686 6.911 5.268 436 2HG LYS 59 2HG LYS 59 -6.127 7.409 4.661 437 1HD LYS 59 1HD LYS 59 -7.319 8.177 2.838 438 2HD LYS 59 2HD LYS 59 -7.266 6.513 2.339 439 1HE LYS 59 1HE LYS 59 -9.352 6.204 3.953 440 2HE LYS 59 2HE LYS 59 -9.531 7.955 3.785 441 1HZ LYS 59 1HZ LYS 59 -9.747 7.598 1.381 442 2HZ LYS 59 2HZ LYS 59 -10.843 6.650 2.154 443 3HZ LYS 59 3HZ LYS 59 -9.460 5.984 1.576 444 H ALA 60 H ALA 60 -4.927 2.473 3.811 445 HA ALA 60 HA ALA 60 -3.651 2.058 6.385 446 1HB ALA 60 1HB ALA 60 -3.670 0.269 3.919 447 2HB ALA 60 2HB ALA 60 -3.296 -0.192 5.594 448 3HB ALA 60 3HB ALA 60 -4.943 0.324 5.171 449 H ILE 61 H ILE 61 -2.331 2.577 3.113 450 HA ILE 61 HA ILE 61 0.414 2.321 3.969 451 HB ILE 61 HB ILE 61 -0.670 3.863 1.552 452 1HG1 ILE 61 1HG1 ILE 61 0.227 0.965 1.643 453 2HG1 ILE 61 2HG1 ILE 61 -1.414 1.517 1.474 454 1HG2 ILE 61 1HG2 ILE 61 1.603 4.486 1.982 455 2HG2 ILE 61 2HG2 ILE 61 2.110 2.796 2.194 456 3HG2 ILE 61 3HG2 ILE 61 1.635 3.435 0.604 457 1HD1 ILE 61 1HD1 ILE 61 -0.737 0.902 -0.680 458 2HD1 ILE 61 2HD1 ILE 61 -0.774 2.679 -0.659 459 3HD1 ILE 61 3HD1 ILE 61 0.779 1.805 -0.574 460 H GLU 62 H GLU 62 -1.602 5.282 3.459 461 HA GLU 62 HA GLU 62 0.285 7.163 4.345 462 1HB GLU 62 1HB GLU 62 -2.722 7.075 4.844 463 2HB GLU 62 2HB GLU 62 -1.663 8.454 5.152 464 1HG GLU 62 1HG GLU 62 -1.154 8.763 2.848 465 2HG GLU 62 2HG GLU 62 -1.957 7.263 2.390 466 H ALA 63 H ALA 63 -1.632 4.834 6.268 467 HA ALA 63 HA ALA 63 -1.031 6.131 8.798 468 1HB ALA 63 1HB ALA 63 -2.305 4.231 9.739 469 2HB ALA 63 2HB ALA 63 -3.172 4.947 8.366 470 3HB ALA 63 3HB ALA 63 -2.276 3.418 8.161 471 H VAL 64 H VAL 64 1.065 4.604 6.934 472 HA VAL 64 HA VAL 64 2.392 3.106 9.143 473 HB VAL 64 HB VAL 64 2.015 2.166 6.650 474 1HG1 VAL 64 1HG1 VAL 64 3.744 2.213 5.214 475 2HG1 VAL 64 2HG1 VAL 64 3.313 3.904 5.573 476 3HG1 VAL 64 3HG1 VAL 64 4.786 3.204 6.273 477 1HG2 VAL 64 1HG2 VAL 64 3.176 1.116 8.731 478 2HG2 VAL 64 2HG2 VAL 64 3.857 0.629 7.161 479 3HG2 VAL 64 3HG2 VAL 64 4.667 1.884 8.162 480 H SER 65 H SER 65 2.783 5.862 6.967 481 HA SER 65 HA SER 65 4.534 7.013 8.984 482 1HB SER 65 1HB SER 65 5.752 7.523 6.369 483 2HB SER 65 2HB SER 65 6.384 7.222 7.989 484 HG SER 65 HG SER 65 5.813 4.974 7.641 485 HA PRO 66 HA PRO 66 1.092 9.561 7.257 486 1HB PRO 66 1HB PRO 66 0.133 10.444 9.726 487 2HB PRO 66 2HB PRO 66 -0.420 8.984 8.852 488 1HG PRO 66 1HG PRO 66 1.677 9.167 11.043 489 2HG PRO 66 2HG PRO 66 0.314 8.003 10.899 490 1HD PRO 66 1HD PRO 66 2.743 7.207 10.092 491 2HD PRO 66 2HD PRO 66 1.371 6.884 9.068 492 H GLY 67 H GLY 67 1.095 11.683 6.838 493 1HA GLY 67 1HA GLY 67 1.789 13.924 6.835 494 2HA GLY 67 2HA GLY 67 2.835 13.603 8.241 495 H LEU 68 H LEU 68 4.004 11.223 6.738 496 HA LEU 68 HA LEU 68 6.050 12.729 5.195 497 1HB LEU 68 1HB LEU 68 6.645 11.324 7.156 498 2HB LEU 68 2HB LEU 68 5.981 9.911 6.349 499 HG LEU 68 HG LEU 68 7.688 10.043 4.590 500 1HD1 LEU 68 1HD1 LEU 68 8.134 12.429 4.473 501 2HD1 LEU 68 2HD1 LEU 68 9.630 11.621 4.956 502 3HD1 LEU 68 3HD1 LEU 68 8.652 12.458 6.181 503 1HD2 LEU 68 1HD2 LEU 68 8.731 10.153 7.448 504 2HD2 LEU 68 2HD2 LEU 68 9.629 9.526 6.056 505 3HD2 LEU 68 3HD2 LEU 68 8.139 8.714 6.581 506 H TYR 69 H TYR 69 3.630 10.211 4.801 507 HA TYR 69 HA TYR 69 4.650 9.344 2.203 508 1HB TYR 69 1HB TYR 69 2.504 8.444 4.149 509 2HB TYR 69 2HB TYR 69 2.502 7.892 2.497 510 HD1 TYR 69 HD1 TYR 69 2.586 5.621 3.405 511 HD2 TYR 69 HD2 TYR 69 5.891 8.339 3.898 512 HE1 TYR 69 HE1 TYR 69 4.088 3.722 3.455 513 HE2 TYR 69 HE2 TYR 69 7.386 6.394 4.248 514 HH TYR 69 HH TYR 69 6.227 3.027 3.918 515 H ARG 70 H ARG 70 4.350 10.772 0.567 516 HA ARG 70 HA ARG 70 1.938 12.048 -0.279 517 1HB ARG 70 1HB ARG 70 4.399 12.471 -0.938 518 2HB ARG 70 2HB ARG 70 4.115 11.107 -1.986 519 1HG ARG 70 1HG ARG 70 1.992 12.596 -2.693 520 2HG ARG 70 2HG ARG 70 3.033 13.923 -2.156 521 1HD ARG 70 1HD ARG 70 4.715 13.188 -3.693 522 2HD ARG 70 2HD ARG 70 3.809 11.670 -3.999 523 HE ARG 70 HE ARG 70 2.123 13.712 -4.799 524 1HH1 ARG 70 1HH1 ARG 70 5.285 12.367 -5.863 525 2HH1 ARG 70 2HH1 ARG 70 4.825 12.418 -7.521 526 1HH2 ARG 70 1HH2 ARG 70 1.678 13.813 -7.014 527 2HH2 ARG 70 2HH2 ARG 70 2.856 13.265 -8.167 528 H VAL 71 H VAL 71 0.918 9.558 0.312 529 HA VAL 71 HA VAL 71 1.171 7.644 -1.735 530 HB VAL 71 HB VAL 71 -1.292 7.777 0.030 531 1HG1 VAL 71 1HG1 VAL 71 -1.241 5.304 -0.206 532 2HG1 VAL 71 2HG1 VAL 71 -1.436 6.078 -1.777 533 3HG1 VAL 71 3HG1 VAL 71 0.151 5.428 -1.303 534 1HG2 VAL 71 1HG2 VAL 71 0.626 7.990 1.443 535 2HG2 VAL 71 2HG2 VAL 71 0.079 6.313 1.567 536 3HG2 VAL 71 3HG2 VAL 71 1.509 6.708 0.581 537 H SER 72 H SER 72 0.618 7.420 -3.648 538 HA SER 72 HA SER 72 -1.904 8.647 -4.715 539 1HB SER 72 1HB SER 72 0.860 8.647 -5.961 540 2HB SER 72 2HB SER 72 -0.613 9.296 -6.658 541 HG SER 72 HG SER 72 0.670 10.213 -4.287 542 H ILE 73 H ILE 73 -2.704 7.573 -6.634 543 HA ILE 73 HA ILE 73 -2.066 4.634 -6.843 544 HB ILE 73 HB ILE 73 -4.459 6.262 -7.806 545 1HG1 ILE 73 1HG1 ILE 73 -4.242 4.214 -5.563 546 2HG1 ILE 73 2HG1 ILE 73 -4.409 5.953 -5.326 547 1HG2 ILE 73 1HG2 ILE 73 -4.095 3.234 -7.857 548 2HG2 ILE 73 2HG2 ILE 73 -5.467 4.157 -8.495 549 3HG2 ILE 73 3HG2 ILE 73 -3.904 4.286 -9.281 550 1HD1 ILE 73 1HD1 ILE 73 -6.645 5.860 -6.463 551 2HD1 ILE 73 2HD1 ILE 73 -6.506 4.083 -6.477 552 3HD1 ILE 73 3HD1 ILE 73 -6.545 4.950 -4.939 553 H THR 74 H THR 74 -0.992 3.896 -8.490 554 HA THR 74 HA THR 74 -0.669 5.637 -10.891 555 HB THR 74 HB THR 74 1.408 5.422 -9.785 556 HG1 THR 74 HG1 THR 74 2.487 4.648 -11.594 557 1HG2 THR 74 1HG2 THR 74 2.650 3.361 -9.507 558 2HG2 THR 74 2HG2 THR 74 1.291 2.398 -10.123 559 3HG2 THR 74 3HG2 THR 74 1.151 3.269 -8.576 560 H SER 75 H SER 75 -1.888 5.048 -12.436 561 HA SER 75 HA SER 75 -1.916 2.379 -13.537 562 1HB SER 75 1HB SER 75 -3.645 2.297 -11.620 563 2HB SER 75 2HB SER 75 -4.632 3.362 -12.627 564 HG SER 75 HG SER 75 -5.139 1.201 -13.090 565 H GLU 76 H GLU 76 -3.627 2.300 -15.381 566 HA GLU 76 HA GLU 76 -3.253 4.510 -17.228 567 1HB GLU 76 1HB GLU 76 -3.232 2.008 -17.620 568 2HB GLU 76 2HB GLU 76 -4.994 2.056 -17.582 569 1HG GLU 76 1HG GLU 76 -4.960 3.698 -19.451 570 2HG GLU 76 2HG GLU 76 -3.190 3.710 -19.430 571 H VAL 77 H VAL 77 -4.223 5.829 -15.459 572 HA VAL 77 HA VAL 77 -7.139 6.274 -15.761 573 HB VAL 77 HB VAL 77 -6.877 8.182 -14.282 574 1HG1 VAL 77 1HG1 VAL 77 -6.183 7.022 -12.265 575 2HG1 VAL 77 2HG1 VAL 77 -7.082 5.911 -13.310 576 3HG1 VAL 77 3HG1 VAL 77 -5.310 5.799 -13.205 577 1HG2 VAL 77 1HG2 VAL 77 -4.703 9.083 -14.985 578 2HG2 VAL 77 2HG2 VAL 77 -4.711 8.767 -13.248 579 3HG2 VAL 77 3HG2 VAL 77 -3.871 7.653 -14.342 Start of MODEL 12 1 1H ASN 1 1HT ASN 1 -12.965 -14.588 -5.382 2 HA ASN 1 HA ASN 1 -11.211 -13.954 -7.602 3 1HB ASN 1 1HB ASN 1 -13.287 -14.235 -8.849 4 2HB ASN 1 2HB ASN 1 -14.187 -13.273 -7.666 5 1HD2 ASN 1 1HD2 ASN 1 -11.045 -12.750 -9.433 6 2HD2 ASN 1 2HD2 ASN 1 -11.521 -11.149 -9.981 7 H ASP 2 H ASP 2 -9.893 -12.631 -6.448 8 HA ASP 2 HA ASP 2 -10.969 -10.766 -4.467 9 1HB ASP 2 1HB ASP 2 -8.156 -11.709 -5.082 10 2HB ASP 2 2HB ASP 2 -8.611 -10.511 -3.872 11 H SER 3 H SER 3 -10.079 -8.596 -4.487 12 HA SER 3 HA SER 3 -9.880 -7.396 -7.202 13 1HB SER 3 1HB SER 3 -11.650 -6.603 -5.601 14 2HB SER 3 2HB SER 3 -10.371 -6.036 -4.526 15 HG SER 3 HG SER 3 -11.365 -4.529 -6.098 16 H THR 4 H THR 4 -8.497 -5.188 -6.827 17 HA THR 4 HA THR 4 -5.930 -5.527 -5.555 18 HB THR 4 HB THR 4 -6.254 -6.423 -8.419 19 HG1 THR 4 HG1 THR 4 -6.105 -7.719 -6.386 20 1HG2 THR 4 1HG2 THR 4 -3.780 -6.459 -8.641 21 2HG2 THR 4 2HG2 THR 4 -3.627 -5.503 -7.155 22 3HG2 THR 4 3HG2 THR 4 -4.398 -4.806 -8.607 23 H ALA 5 H ALA 5 -4.524 -3.791 -5.951 24 HA ALA 5 HA ALA 5 -5.142 -1.675 -7.785 25 1HB ALA 5 1HB ALA 5 -5.583 -1.244 -4.810 26 2HB ALA 5 2HB ALA 5 -5.388 0.090 -5.967 27 3HB ALA 5 3HB ALA 5 -6.767 -1.028 -6.117 28 H THR 6 H THR 6 -3.506 0.092 -7.652 29 HA THR 6 HA THR 6 -0.886 -0.758 -6.490 30 HB THR 6 HB THR 6 -1.328 0.680 -9.123 31 HG1 THR 6 HG1 THR 6 -0.769 -1.305 -10.012 32 1HG2 THR 6 1HG2 THR 6 0.847 1.206 -8.227 33 2HG2 THR 6 2HG2 THR 6 1.088 -0.022 -9.475 34 3HG2 THR 6 3HG2 THR 6 1.127 -0.484 -7.753 35 H PHE 7 H PHE 7 0.362 0.764 -5.631 36 HA PHE 7 HA PHE 7 -0.571 3.557 -5.446 37 1HB PHE 7 1HB PHE 7 0.099 1.890 -3.018 38 2HB PHE 7 2HB PHE 7 -0.539 3.512 -3.044 39 HD1 PHE 7 HD1 PHE 7 -1.510 -0.106 -3.449 40 HD2 PHE 7 HD2 PHE 7 -2.923 3.998 -3.448 41 HE1 PHE 7 HE1 PHE 7 -3.780 -0.892 -3.490 42 HE2 PHE 7 HE2 PHE 7 -5.228 3.159 -3.481 43 HZ PHE 7 HZ PHE 7 -5.685 0.721 -3.486 44 H ILE 8 H ILE 8 1.098 5.019 -5.169 45 HA ILE 8 HA ILE 8 3.830 4.004 -4.587 46 HB ILE 8 HB ILE 8 3.298 4.342 -7.023 47 1HG1 ILE 8 1HG1 ILE 8 5.387 6.377 -6.099 48 2HG1 ILE 8 2HG1 ILE 8 5.581 4.661 -5.774 49 1HG2 ILE 8 1HG2 ILE 8 1.802 6.236 -6.913 50 2HG2 ILE 8 2HG2 ILE 8 3.116 7.302 -6.370 51 3HG2 ILE 8 3HG2 ILE 8 3.156 6.573 -7.987 52 1HD1 ILE 8 1HD1 ILE 8 6.795 5.229 -7.790 53 2HD1 ILE 8 2HD1 ILE 8 5.476 4.099 -8.141 54 3HD1 ILE 8 3HD1 ILE 8 5.308 5.827 -8.560 55 H ILE 9 H ILE 9 5.078 5.060 -3.281 56 HA ILE 9 HA ILE 9 3.932 7.372 -1.843 57 HB ILE 9 HB ILE 9 5.830 5.323 -0.671 58 1HG1 ILE 9 1HG1 ILE 9 4.021 4.289 0.533 59 2HG1 ILE 9 2HG1 ILE 9 2.823 4.989 -0.486 60 1HG2 ILE 9 1HG2 ILE 9 3.806 7.243 0.546 61 2HG2 ILE 9 2HG2 ILE 9 4.966 6.214 1.418 62 3HG2 ILE 9 3HG2 ILE 9 5.552 7.538 0.429 63 1HD1 ILE 9 1HD1 ILE 9 3.469 2.585 -0.829 64 2HD1 ILE 9 2HD1 ILE 9 3.766 3.509 -2.307 65 3HD1 ILE 9 3HD1 ILE 9 5.118 3.101 -1.197 66 H ASP 10 H ASP 10 5.131 9.154 -2.602 67 HA ASP 10 HA ASP 10 8.068 8.939 -2.602 68 1HB ASP 10 1HB ASP 10 6.246 10.722 -3.831 69 2HB ASP 10 2HB ASP 10 7.018 11.706 -2.654 70 H GLY 11 H GLY 11 9.269 9.119 -0.838 71 1HA GLY 11 1HA GLY 11 9.996 10.573 1.037 72 2HA GLY 11 2HA GLY 11 8.287 10.775 1.486 73 H MET 12 H MET 12 8.193 7.709 0.592 74 HA MET 12 HA MET 12 8.622 6.553 3.205 75 1HB MET 12 1HB MET 12 8.050 4.508 2.255 76 2HB MET 12 2HB MET 12 7.216 5.575 1.281 77 1HG MET 12 1HG MET 12 8.992 5.414 -0.434 78 2HG MET 12 2HG MET 12 9.842 4.236 0.539 79 1HE MET 12 1HE MET 12 8.427 1.788 1.344 80 2HE MET 12 2HE MET 12 8.174 0.951 -0.194 81 3HE MET 12 3HE MET 12 9.686 1.832 0.069 82 H HIS 13 H HIS 13 10.429 5.603 4.041 83 HA HIS 13 HA HIS 13 12.954 6.563 3.405 84 1HB HIS 13 1HB HIS 13 12.186 4.097 4.979 85 2HB HIS 13 2HB HIS 13 13.760 4.887 5.056 86 HD1 HIS 13 HD1 HIS 13 13.094 4.969 7.760 87 HD2 HIS 13 HD2 HIS 13 11.058 7.530 5.117 88 HE1 HIS 13 HE1 HIS 13 11.996 6.769 9.186 89 H CYS 14 H CYS 14 11.670 4.722 1.179 90 HA CYS 14 HA CYS 14 12.433 3.604 -0.652 91 1HB CYS 14 1HB CYS 14 14.933 4.874 0.477 92 2HB CYS 14 2HB CYS 14 15.021 3.850 -0.946 93 HG CYS 14 HG CYS 14 12.927 6.404 -0.400 94 H LYS 15 H LYS 15 13.854 2.477 2.282 95 HA LYS 15 HA LYS 15 14.269 -0.267 1.130 96 1HB LYS 15 1HB LYS 15 16.030 1.520 2.865 97 2HB LYS 15 2HB LYS 15 16.358 -0.208 2.662 98 1HG LYS 15 1HG LYS 15 16.359 1.848 0.389 99 2HG LYS 15 2HG LYS 15 17.744 1.456 1.374 100 1HD LYS 15 1HD LYS 15 18.141 0.206 -0.497 101 2HD LYS 15 2HD LYS 15 17.511 -0.967 0.641 102 1HE LYS 15 1HE LYS 15 16.601 -1.434 -1.536 103 2HE LYS 15 2HE LYS 15 15.282 -0.860 -0.527 104 1HZ LYS 15 1HZ LYS 15 15.303 0.059 -2.746 105 2HZ LYS 15 2HZ LYS 15 16.717 0.879 -2.458 106 3HZ LYS 15 3HZ LYS 15 15.300 1.205 -1.624 107 H SER 16 H SER 16 14.847 0.734 4.545 108 HA SER 16 HA SER 16 13.220 -1.239 5.626 109 1HB SER 16 1HB SER 16 13.529 1.437 6.990 110 2HB SER 16 2HB SER 16 13.562 -0.197 7.682 111 HG SER 16 HG SER 16 15.696 0.509 7.562 112 H CYS 17 H CYS 17 11.912 1.841 4.251 113 HA CYS 17 HA CYS 17 9.353 1.562 5.538 114 1HB CYS 17 1HB CYS 17 10.585 3.184 3.330 115 2HB CYS 17 2HB CYS 17 8.878 2.893 3.215 116 HG CYS 17 HG CYS 17 8.054 3.831 5.403 117 H VAL 18 H VAL 18 10.771 -0.070 2.741 118 HA VAL 18 HA VAL 18 8.398 -0.850 1.416 119 HB VAL 18 HB VAL 18 11.132 -2.226 1.721 120 1HG1 VAL 18 1HG1 VAL 18 9.042 -2.800 -0.380 121 2HG1 VAL 18 2HG1 VAL 18 10.681 -3.476 -0.319 122 3HG1 VAL 18 3HG1 VAL 18 9.526 -3.902 0.945 123 1HG2 VAL 18 1HG2 VAL 18 10.075 -0.520 -0.569 124 2HG2 VAL 18 2HG2 VAL 18 11.223 0.035 0.666 125 3HG2 VAL 18 3HG2 VAL 18 11.684 -1.255 -0.442 126 H SER 19 H SER 19 10.254 -2.405 3.981 127 HA SER 19 HA SER 19 8.639 -4.698 4.415 128 1HB SER 19 1HB SER 19 11.070 -4.099 5.040 129 2HB SER 19 2HB SER 19 10.380 -3.282 6.453 130 HG SER 19 HG SER 19 9.849 -6.004 5.721 131 H ASN 20 H ASN 20 8.463 -1.467 6.003 132 HA ASN 20 HA ASN 20 6.365 -2.192 7.859 133 1HB ASN 20 1HB ASN 20 6.900 0.406 6.435 134 2HB ASN 20 2HB ASN 20 5.869 0.245 7.804 135 1HD2 ASN 20 1HD2 ASN 20 8.517 1.646 7.149 136 2HD2 ASN 20 2HD2 ASN 20 9.566 1.204 8.473 137 H ILE 21 H ILE 21 6.420 -1.143 4.411 138 HA ILE 21 HA ILE 21 3.544 -0.735 4.384 139 HB ILE 21 HB ILE 21 5.083 -1.225 1.840 140 1HG1 ILE 21 1HG1 ILE 21 5.722 0.970 3.769 141 2HG1 ILE 21 2HG1 ILE 21 6.549 0.323 2.368 142 1HG2 ILE 21 1HG2 ILE 21 2.702 0.513 2.628 143 2HG2 ILE 21 2HG2 ILE 21 3.346 0.326 0.971 144 3HG2 ILE 21 3HG2 ILE 21 2.631 -1.046 1.796 145 1HD1 ILE 21 1HD1 ILE 21 5.363 1.612 0.780 146 2HD1 ILE 21 2HD1 ILE 21 4.334 2.316 2.043 147 3HD1 ILE 21 3HD1 ILE 21 6.074 2.660 2.015 148 H GLU 22 H GLU 22 5.639 -3.503 3.437 149 HA GLU 22 HA GLU 22 3.643 -5.354 2.670 150 1HB GLU 22 1HB GLU 22 6.286 -5.592 4.156 151 2HB GLU 22 2HB GLU 22 5.293 -7.001 3.825 152 1HG GLU 22 1HG GLU 22 5.508 -6.769 1.475 153 2HG GLU 22 2HG GLU 22 6.122 -5.133 1.613 154 H SER 23 H SER 23 4.953 -4.732 5.992 155 HA SER 23 HA SER 23 3.114 -6.565 7.175 156 1HB SER 23 1HB SER 23 5.299 -5.832 8.169 157 2HB SER 23 2HB SER 23 4.593 -4.233 8.472 158 HG SER 23 HG SER 23 2.860 -5.652 9.597 159 H THR 24 H THR 24 2.850 -3.015 6.993 160 HA THR 24 HA THR 24 0.570 -2.896 8.763 161 HB THR 24 HB THR 24 1.776 -0.809 6.844 162 HG1 THR 24 HG1 THR 24 1.968 -1.196 9.656 163 1HG2 THR 24 1HG2 THR 24 -0.505 -0.116 7.408 164 2HG2 THR 24 2HG2 THR 24 0.640 0.846 8.345 165 3HG2 THR 24 3HG2 THR 24 -0.240 -0.488 9.125 166 H LEU 25 H LEU 25 0.957 -3.046 5.262 167 HA LEU 25 HA LEU 25 -1.936 -2.836 4.821 168 1HB LEU 25 1HB LEU 25 0.412 -3.627 3.090 169 2HB LEU 25 2HB LEU 25 -1.222 -3.754 2.520 170 HG LEU 25 HG LEU 25 0.205 -1.636 1.927 171 1HD1 LEU 25 1HD1 LEU 25 -1.903 -0.358 1.715 172 2HD1 LEU 25 2HD1 LEU 25 -2.698 -1.496 2.812 173 3HD1 LEU 25 3HD1 LEU 25 -2.081 -2.045 1.244 174 1HD2 LEU 25 1HD2 LEU 25 -0.203 0.319 3.390 175 2HD2 LEU 25 2HD2 LEU 25 0.792 -0.874 4.209 176 3HD2 LEU 25 3HD2 LEU 25 -0.939 -0.697 4.603 177 H SER 26 H SER 26 0.454 -5.635 4.916 178 HA SER 26 HA SER 26 -1.690 -7.448 4.159 179 1HB SER 26 1HB SER 26 0.702 -7.858 3.653 180 2HB SER 26 2HB SER 26 1.021 -8.105 5.363 181 HG SER 26 HG SER 26 -0.637 -9.763 5.257 182 H ALA 27 H ALA 27 -1.987 -5.805 6.691 183 HA ALA 27 HA ALA 27 -2.718 -7.998 8.606 184 1HB ALA 27 1HB ALA 27 -0.973 -6.476 9.468 185 2HB ALA 27 2HB ALA 27 -1.999 -5.069 9.118 186 3HB ALA 27 3HB ALA 27 -2.491 -6.247 10.357 187 H LEU 28 H LEU 28 -4.103 -5.963 6.275 188 HA LEU 28 HA LEU 28 -6.177 -4.852 7.920 189 1HB LEU 28 1HB LEU 28 -5.934 -5.016 4.894 190 2HB LEU 28 2HB LEU 28 -7.114 -4.051 5.758 191 HG LEU 28 HG LEU 28 -4.153 -3.624 6.276 192 1HD1 LEU 28 1HD1 LEU 28 -4.590 -3.488 3.774 193 2HD1 LEU 28 2HD1 LEU 28 -4.008 -2.011 4.544 194 3HD1 LEU 28 3HD1 LEU 28 -5.714 -2.149 4.124 195 1HD2 LEU 28 1HD2 LEU 28 -6.572 -1.793 6.389 196 2HD2 LEU 28 2HD2 LEU 28 -4.889 -1.381 6.838 197 3HD2 LEU 28 3HD2 LEU 28 -5.795 -2.571 7.791 198 H GLN 29 H GLN 29 -8.175 -5.522 8.337 199 HA GLN 29 HA GLN 29 -8.978 -8.146 8.319 200 1HB GLN 29 1HB GLN 29 -11.107 -7.331 9.096 201 2HB GLN 29 2HB GLN 29 -9.852 -6.257 9.717 202 1HG GLN 29 1HG GLN 29 -10.372 -4.672 7.776 203 2HG GLN 29 2HG GLN 29 -11.736 -5.719 7.366 204 1HE2 GLN 29 1HE2 GLN 29 -13.501 -5.946 9.068 205 2HE2 GLN 29 2HE2 GLN 29 -13.653 -4.606 10.210 206 H TYR 30 H TYR 30 -9.030 -6.319 5.477 207 HA TYR 30 HA TYR 30 -10.897 -8.238 4.151 208 1HB TYR 30 1HB TYR 30 -11.180 -6.278 2.488 209 2HB TYR 30 2HB TYR 30 -12.034 -6.249 4.017 210 HD1 TYR 30 HD1 TYR 30 -12.357 -4.084 4.678 211 HD2 TYR 30 HD2 TYR 30 -8.446 -5.144 3.161 212 HE1 TYR 30 HE1 TYR 30 -11.528 -1.810 5.207 213 HE2 TYR 30 HE2 TYR 30 -7.666 -2.881 3.607 214 HH TYR 30 HH TYR 30 -9.721 -0.386 5.162 215 H VAL 31 H VAL 31 -7.557 -7.655 4.328 216 HA VAL 31 HA VAL 31 -7.291 -7.574 1.354 217 HB VAL 31 HB VAL 31 -6.049 -5.826 2.578 218 1HG1 VAL 31 1HG1 VAL 31 -5.352 -7.090 4.440 219 2HG1 VAL 31 2HG1 VAL 31 -4.225 -8.033 3.400 220 3HG1 VAL 31 3HG1 VAL 31 -4.079 -6.251 3.535 221 1HG2 VAL 31 1HG2 VAL 31 -5.308 -6.479 0.274 222 2HG2 VAL 31 2HG2 VAL 31 -3.944 -6.031 1.298 223 3HG2 VAL 31 3HG2 VAL 31 -4.249 -7.731 0.986 224 H SER 32 H SER 32 -6.293 -9.124 0.188 225 HA SER 32 HA SER 32 -6.180 -11.836 1.427 226 1HB SER 32 1HB SER 32 -7.707 -11.388 -0.452 227 2HB SER 32 2HB SER 32 -6.349 -10.844 -1.445 228 HG SER 32 HG SER 32 -7.033 -13.026 -1.820 229 H SER 33 H SER 33 -4.172 -9.428 -0.227 230 HA SER 33 HA SER 33 -1.648 -10.703 0.358 231 1HB SER 33 1HB SER 33 -3.034 -11.267 -2.219 232 2HB SER 33 2HB SER 33 -1.321 -11.003 -2.319 233 HG SER 33 HG SER 33 -2.585 -12.774 -0.484 234 H ILE 34 H ILE 34 0.067 -9.805 -1.089 235 HA ILE 34 HA ILE 34 -0.116 -7.148 -2.159 236 HB ILE 34 HB ILE 34 -0.391 -6.570 0.205 237 1HG1 ILE 34 1HG1 ILE 34 2.446 -5.802 -0.588 238 2HG1 ILE 34 2HG1 ILE 34 1.005 -5.134 -1.365 239 1HG2 ILE 34 1HG2 ILE 34 2.270 -7.981 0.713 240 2HG2 ILE 34 2HG2 ILE 34 1.381 -7.004 1.885 241 3HG2 ILE 34 3HG2 ILE 34 0.676 -8.504 1.298 242 1HD1 ILE 34 1HD1 ILE 34 1.700 -4.867 1.587 243 2HD1 ILE 34 2HD1 ILE 34 1.776 -3.604 0.349 244 3HD1 ILE 34 3HD1 ILE 34 0.209 -4.298 0.817 245 H VAL 35 H VAL 35 1.739 -6.518 -3.117 246 HA VAL 35 HA VAL 35 4.307 -7.951 -2.736 247 HB VAL 35 HB VAL 35 2.916 -7.475 -5.420 248 1HG1 VAL 35 1HG1 VAL 35 5.884 -8.036 -4.983 249 2HG1 VAL 35 2HG1 VAL 35 5.041 -8.186 -6.540 250 3HG1 VAL 35 3HG1 VAL 35 5.164 -6.610 -5.772 251 1HG2 VAL 35 1HG2 VAL 35 2.532 -9.699 -4.390 252 2HG2 VAL 35 2HG2 VAL 35 3.588 -9.879 -5.796 253 3HG2 VAL 35 3HG2 VAL 35 4.289 -9.893 -4.158 254 H VAL 36 H VAL 36 6.044 -6.551 -3.014 255 HA VAL 36 HA VAL 36 5.444 -3.717 -3.719 256 HB VAL 36 HB VAL 36 5.203 -4.002 -1.245 257 1HG1 VAL 36 1HG1 VAL 36 7.285 -4.268 0.085 258 2HG1 VAL 36 2HG1 VAL 36 6.819 -5.736 -0.800 259 3HG1 VAL 36 3HG1 VAL 36 8.159 -4.723 -1.379 260 1HG2 VAL 36 1HG2 VAL 36 7.474 -2.163 -2.075 261 2HG2 VAL 36 2HG2 VAL 36 5.736 -1.806 -2.099 262 3HG2 VAL 36 3HG2 VAL 36 6.551 -2.079 -0.563 263 H SER 37 H SER 37 7.347 -2.472 -4.317 264 HA SER 37 HA SER 37 9.469 -4.223 -5.470 265 1HB SER 37 1HB SER 37 8.364 -2.316 -6.815 266 2HB SER 37 2HB SER 37 9.341 -1.260 -5.814 267 HG SER 37 HG SER 37 10.234 -2.159 -7.911 268 H LEU 38 H LEU 38 11.585 -4.160 -4.841 269 HA LEU 38 HA LEU 38 12.180 -2.771 -2.309 270 1HB LEU 38 1HB LEU 38 12.990 -5.230 -3.477 271 2HB LEU 38 2HB LEU 38 14.415 -4.193 -3.516 272 HG LEU 38 HG LEU 38 12.679 -4.768 -1.054 273 1HD1 LEU 38 1HD1 LEU 38 13.862 -6.781 -1.832 274 2HD1 LEU 38 2HD1 LEU 38 14.506 -6.207 -0.286 275 3HD1 LEU 38 3HD1 LEU 38 15.409 -5.902 -1.790 276 1HD2 LEU 38 1HD2 LEU 38 14.587 -3.851 0.267 277 2HD2 LEU 38 2HD2 LEU 38 13.842 -2.627 -0.761 278 3HD2 LEU 38 3HD2 LEU 38 15.386 -3.373 -1.247 279 H GLU 39 H GLU 39 12.826 -2.246 -5.743 280 HA GLU 39 HA GLU 39 14.775 -0.112 -5.182 281 1HB GLU 39 1HB GLU 39 14.805 -1.755 -7.137 282 2HB GLU 39 2HB GLU 39 13.393 -0.962 -7.781 283 1HG GLU 39 1HG GLU 39 15.914 0.604 -7.100 284 2HG GLU 39 2HG GLU 39 15.783 -0.407 -8.543 285 H ASN 40 H ASN 40 11.532 -0.546 -6.605 286 HA ASN 40 HA ASN 40 11.138 2.349 -6.735 287 1HB ASN 40 1HB ASN 40 9.402 0.008 -7.613 288 2HB ASN 40 2HB ASN 40 8.807 1.654 -7.618 289 1HD2 ASN 40 1HD2 ASN 40 11.906 0.115 -8.480 290 2HD2 ASN 40 2HD2 ASN 40 12.153 0.976 -9.901 291 H ARG 41 H ARG 41 9.682 3.567 -5.650 292 HA ARG 41 HA ARG 41 9.057 2.685 -2.951 293 1HB ARG 41 1HB ARG 41 8.631 5.391 -4.309 294 2HB ARG 41 2HB ARG 41 8.484 5.027 -2.610 295 1HG ARG 41 1HG ARG 41 10.490 5.792 -2.356 296 2HG ARG 41 2HG ARG 41 10.922 4.131 -2.774 297 1HD ARG 41 1HD ARG 41 12.234 5.419 -4.112 298 2HD ARG 41 2HD ARG 41 10.947 4.938 -5.215 299 HE ARG 41 HE ARG 41 10.319 7.471 -3.984 300 1HH1 ARG 41 1HH1 ARG 41 12.462 6.176 -6.487 301 2HH1 ARG 41 2HH1 ARG 41 12.421 7.653 -7.399 302 1HH2 ARG 41 1HH2 ARG 41 10.332 9.353 -5.150 303 2HH2 ARG 41 2HH2 ARG 41 11.234 9.456 -6.627 304 H SER 42 H SER 42 7.508 1.108 -4.627 305 HA SER 42 HA SER 42 4.722 2.072 -4.143 306 1HB SER 42 1HB SER 42 4.174 1.051 -6.430 307 2HB SER 42 2HB SER 42 4.924 2.631 -6.405 308 HG SER 42 HG SER 42 6.258 0.146 -6.789 309 H ALA 43 H ALA 43 3.134 0.574 -4.182 310 HA ALA 43 HA ALA 43 3.850 -2.284 -3.720 311 1HB ALA 43 1HB ALA 43 1.928 -0.541 -2.070 312 2HB ALA 43 2HB ALA 43 2.243 -2.279 -1.841 313 3HB ALA 43 3HB ALA 43 3.532 -1.110 -1.539 314 H ILE 44 H ILE 44 2.386 -3.739 -4.374 315 HA ILE 44 HA ILE 44 -0.081 -2.893 -5.848 316 HB ILE 44 HB ILE 44 1.767 -5.258 -6.381 317 1HG1 ILE 44 1HG1 ILE 44 1.062 -2.899 -8.194 318 2HG1 ILE 44 2HG1 ILE 44 2.535 -2.962 -7.232 319 1HG2 ILE 44 1HG2 ILE 44 -0.866 -4.443 -7.710 320 2HG2 ILE 44 2HG2 ILE 44 0.175 -5.790 -8.222 321 3HG2 ILE 44 3HG2 ILE 44 -0.624 -5.857 -6.660 322 1HD1 ILE 44 1HD1 ILE 44 3.207 -5.060 -8.416 323 2HD1 ILE 44 2HD1 ILE 44 1.796 -4.862 -9.488 324 3HD1 ILE 44 3HD1 ILE 44 3.071 -3.636 -9.468 325 H VAL 45 H VAL 45 -1.799 -3.455 -4.678 326 HA VAL 45 HA VAL 45 -1.457 -5.384 -2.387 327 HB VAL 45 HB VAL 45 -3.155 -2.908 -2.533 328 1HG1 VAL 45 1HG1 VAL 45 -3.945 -4.674 -0.937 329 2HG1 VAL 45 2HG1 VAL 45 -2.337 -4.695 -0.181 330 3HG1 VAL 45 3HG1 VAL 45 -3.369 -3.254 -0.074 331 1HG2 VAL 45 1HG2 VAL 45 -0.815 -2.174 -2.544 332 2HG2 VAL 45 2HG2 VAL 45 -1.566 -1.819 -0.996 333 3HG2 VAL 45 3HG2 VAL 45 -0.468 -3.207 -1.149 334 H VAL 46 H VAL 46 -3.055 -6.938 -2.175 335 HA VAL 46 HA VAL 46 -5.126 -7.087 -4.334 336 HB VAL 46 HB VAL 46 -3.454 -9.244 -2.992 337 1HG1 VAL 46 1HG1 VAL 46 -4.275 -10.817 -4.587 338 2HG1 VAL 46 2HG1 VAL 46 -5.657 -10.099 -3.751 339 3HG1 VAL 46 3HG1 VAL 46 -5.265 -9.573 -5.405 340 1HG2 VAL 46 1HG2 VAL 46 -2.310 -9.540 -5.171 341 2HG2 VAL 46 2HG2 VAL 46 -3.099 -8.065 -5.763 342 3HG2 VAL 46 3HG2 VAL 46 -1.961 -7.993 -4.405 343 H TYR 47 H TYR 47 -7.174 -6.931 -3.388 344 HA TYR 47 HA TYR 47 -7.477 -7.830 -0.549 345 1HB TYR 47 1HB TYR 47 -8.669 -5.838 0.017 346 2HB TYR 47 2HB TYR 47 -7.095 -5.421 -0.608 347 HD1 TYR 47 HD1 TYR 47 -6.841 -4.609 -2.993 348 HD2 TYR 47 HD2 TYR 47 -10.681 -4.954 -1.077 349 HE1 TYR 47 HE1 TYR 47 -7.786 -3.011 -4.629 350 HE2 TYR 47 HE2 TYR 47 -11.659 -3.406 -2.775 351 HH TYR 47 HH TYR 47 -9.679 -2.098 -5.457 352 H ASN 48 H ASN 48 -9.580 -8.422 0.175 353 HA ASN 48 HA ASN 48 -11.207 -9.567 -2.018 354 1HB ASN 48 1HB ASN 48 -10.458 -11.038 -0.168 355 2HB ASN 48 2HB ASN 48 -11.349 -10.032 0.988 356 1HD2 ASN 48 1HD2 ASN 48 -11.697 -12.251 -1.827 357 2HD2 ASN 48 2HD2 ASN 48 -13.432 -12.467 -1.590 358 H ALA 49 H ALA 49 -12.832 -8.444 -2.763 359 HA ALA 49 HA ALA 49 -14.971 -7.401 -1.192 360 1HB ALA 49 1HB ALA 49 -13.175 -5.380 -2.627 361 2HB ALA 49 2HB ALA 49 -14.778 -5.019 -1.959 362 3HB ALA 49 3HB ALA 49 -13.455 -5.465 -0.873 363 H SER 50 H SER 50 -16.827 -7.084 -2.555 364 HA SER 50 HA SER 50 -16.583 -7.935 -5.375 365 1HB SER 50 1HB SER 50 -19.120 -7.934 -5.157 366 2HB SER 50 2HB SER 50 -18.245 -9.125 -4.181 367 HG SER 50 HG SER 50 -19.964 -7.836 -3.111 368 H SER 51 H SER 51 -15.580 -5.311 -4.389 369 HA SER 51 HA SER 51 -16.589 -3.734 -6.498 370 1HB SER 51 1HB SER 51 -18.426 -3.272 -4.904 371 2HB SER 51 2HB SER 51 -17.242 -2.663 -3.728 372 HG SER 51 HG SER 51 -18.292 -1.046 -5.099 373 H VAL 52 H VAL 52 -15.596 -1.344 -6.076 374 HA VAL 52 HA VAL 52 -12.689 -1.847 -5.553 375 HB VAL 52 HB VAL 52 -12.304 0.302 -6.803 376 1HG1 VAL 52 1HG1 VAL 52 -13.510 -2.034 -8.342 377 2HG1 VAL 52 2HG1 VAL 52 -12.395 -0.812 -8.988 378 3HG1 VAL 52 3HG1 VAL 52 -11.845 -1.928 -7.728 379 1HG2 VAL 52 1HG2 VAL 52 -14.594 1.263 -6.834 380 2HG2 VAL 52 2HG2 VAL 52 -13.971 1.020 -8.467 381 3HG2 VAL 52 3HG2 VAL 52 -15.165 -0.111 -7.807 382 H THR 53 H THR 53 -11.763 -1.002 -3.838 383 HA THR 53 HA THR 53 -12.543 1.694 -2.950 384 HB THR 53 HB THR 53 -14.025 0.261 -1.681 385 HG1 THR 53 HG1 THR 53 -12.133 1.519 -0.016 386 1HG2 THR 53 1HG2 THR 53 -11.641 -0.568 -0.022 387 2HG2 THR 53 2HG2 THR 53 -12.241 -1.571 -1.358 388 3HG2 THR 53 3HG2 THR 53 -13.311 -1.179 0.015 389 HA PRO 54 HA PRO 54 -7.911 0.711 -2.945 390 1HB PRO 54 1HB PRO 54 -7.190 2.590 -4.814 391 2HB PRO 54 2HB PRO 54 -7.714 0.940 -5.240 392 1HG PRO 54 1HG PRO 54 -9.445 3.438 -5.157 393 2HG PRO 54 2HG PRO 54 -9.255 2.267 -6.509 394 1HD PRO 54 1HD PRO 54 -11.315 1.965 -4.753 395 2HD PRO 54 2HD PRO 54 -10.374 0.550 -5.298 396 H GLU 55 H GLU 55 -9.964 3.612 -2.681 397 HA GLU 55 HA GLU 55 -8.230 5.477 -1.512 398 1HB GLU 55 1HB GLU 55 -11.071 4.997 -1.761 399 2HB GLU 55 2HB GLU 55 -10.769 5.387 -0.095 400 1HG GLU 55 1HG GLU 55 -9.892 7.040 -2.526 401 2HG GLU 55 2HG GLU 55 -11.331 7.349 -1.558 402 H SER 56 H SER 56 -9.767 2.565 0.064 403 HA SER 56 HA SER 56 -8.967 3.305 2.701 404 1HB SER 56 1HB SER 56 -9.495 0.495 1.735 405 2HB SER 56 2HB SER 56 -9.874 1.244 3.290 406 HG SER 56 HG SER 56 -11.803 1.175 2.232 407 H LEU 57 H LEU 57 -7.482 1.305 0.144 408 HA LEU 57 HA LEU 57 -5.385 0.266 1.918 409 1HB LEU 57 1HB LEU 57 -5.527 0.394 -1.107 410 2HB LEU 57 2HB LEU 57 -4.330 -0.484 -0.162 411 HG LEU 57 HG LEU 57 -7.313 -1.094 -0.388 412 1HD1 LEU 57 1HD1 LEU 57 -4.803 -2.009 -1.695 413 2HD1 LEU 57 2HD1 LEU 57 -6.441 -1.949 -2.323 414 3HD1 LEU 57 3HD1 LEU 57 -5.937 -3.299 -1.256 415 1HD2 LEU 57 1HD2 LEU 57 -5.223 -2.640 1.222 416 2HD2 LEU 57 2HD2 LEU 57 -6.882 -3.170 0.874 417 3HD2 LEU 57 3HD2 LEU 57 -6.609 -1.734 1.874 418 H ARG 58 H ARG 58 -5.578 2.906 -0.538 419 HA ARG 58 HA ARG 58 -3.046 4.068 -0.272 420 1HB ARG 58 1HB ARG 58 -4.626 4.837 -1.867 421 2HB ARG 58 2HB ARG 58 -5.859 5.094 -0.714 422 1HG ARG 58 1HG ARG 58 -3.667 6.782 0.043 423 2HG ARG 58 2HG ARG 58 -3.890 6.966 -1.691 424 1HD ARG 58 1HD ARG 58 -6.150 7.662 -1.451 425 2HD ARG 58 2HD ARG 58 -6.246 7.101 0.229 426 HE ARG 58 HE ARG 58 -4.537 8.863 0.791 427 1HH1 ARG 58 1HH1 ARG 58 -7.165 9.515 -1.412 428 2HH1 ARG 58 2HH1 ARG 58 -6.706 11.196 -1.629 429 1HH2 ARG 58 1HH2 ARG 58 -4.018 10.910 0.637 430 2HH2 ARG 58 2HH2 ARG 58 -4.959 12.031 -0.335 431 H LYS 59 H LYS 59 -5.988 4.818 1.678 432 HA LYS 59 HA LYS 59 -4.825 6.305 3.731 433 1HB LYS 59 1HB LYS 59 -7.286 4.708 3.335 434 2HB LYS 59 2HB LYS 59 -6.764 4.759 4.994 435 1HG LYS 59 1HG LYS 59 -8.283 6.581 4.558 436 2HG LYS 59 2HG LYS 59 -6.668 7.217 4.939 437 1HD LYS 59 1HD LYS 59 -6.256 7.566 2.514 438 2HD LYS 59 2HD LYS 59 -7.848 6.907 2.161 439 1HE LYS 59 1HE LYS 59 -8.876 8.736 3.512 440 2HE LYS 59 2HE LYS 59 -7.247 9.423 3.764 441 1HZ LYS 59 1HZ LYS 59 -7.073 9.640 1.357 442 2HZ LYS 59 2HZ LYS 59 -8.446 10.428 1.866 443 3HZ LYS 59 3HZ LYS 59 -8.556 8.968 1.143 444 H ALA 60 H ALA 60 -4.917 2.658 3.596 445 HA ALA 60 HA ALA 60 -3.756 2.358 6.219 446 1HB ALA 60 1HB ALA 60 -3.737 0.448 3.846 447 2HB ALA 60 2HB ALA 60 -3.453 0.045 5.548 448 3HB ALA 60 3HB ALA 60 -5.059 0.606 5.030 449 H ILE 61 H ILE 61 -2.286 2.857 3.027 450 HA ILE 61 HA ILE 61 0.414 2.531 4.010 451 HB ILE 61 HB ILE 61 -0.475 4.105 1.543 452 1HG1 ILE 61 1HG1 ILE 61 0.290 1.174 1.520 453 2HG1 ILE 61 2HG1 ILE 61 -1.339 1.720 1.460 454 1HG2 ILE 61 1HG2 ILE 61 2.120 2.892 2.523 455 2HG2 ILE 61 2HG2 ILE 61 1.885 3.201 0.807 456 3HG2 ILE 61 3HG2 ILE 61 1.791 4.538 1.915 457 1HD1 ILE 61 1HD1 ILE 61 -0.892 2.999 -0.617 458 2HD1 ILE 61 2HD1 ILE 61 0.717 2.248 -0.683 459 3HD1 ILE 61 3HD1 ILE 61 -0.732 1.236 -0.754 460 H GLU 62 H GLU 62 -1.581 5.470 3.333 461 HA GLU 62 HA GLU 62 0.264 7.375 4.310 462 1HB GLU 62 1HB GLU 62 -2.787 7.389 4.427 463 2HB GLU 62 2HB GLU 62 -1.729 8.749 4.812 464 1HG GLU 62 1HG GLU 62 -0.885 8.869 2.556 465 2HG GLU 62 2HG GLU 62 -1.848 7.449 2.092 466 H ALA 63 H ALA 63 -1.768 5.087 6.099 467 HA ALA 63 HA ALA 63 -1.459 6.495 8.621 468 1HB ALA 63 1HB ALA 63 -3.515 5.213 8.067 469 2HB ALA 63 2HB ALA 63 -2.548 3.717 7.986 470 3HB ALA 63 3HB ALA 63 -2.737 4.576 9.529 471 H VAL 64 H VAL 64 0.776 4.805 6.987 472 HA VAL 64 HA VAL 64 1.934 3.477 9.368 473 HB VAL 64 HB VAL 64 1.927 2.468 6.943 474 1HG1 VAL 64 1HG1 VAL 64 4.598 3.773 6.717 475 2HG1 VAL 64 2HG1 VAL 64 3.769 2.599 5.646 476 3HG1 VAL 64 3HG1 VAL 64 3.117 4.248 5.860 477 1HG2 VAL 64 1HG2 VAL 64 3.055 1.581 9.122 478 2HG2 VAL 64 2HG2 VAL 64 3.888 1.140 7.615 479 3HG2 VAL 64 3HG2 VAL 64 4.500 2.487 8.618 480 H SER 65 H SER 65 2.599 6.160 7.140 481 HA SER 65 HA SER 65 3.912 7.482 9.434 482 1HB SER 65 1HB SER 65 5.830 6.870 7.932 483 2HB SER 65 2HB SER 65 5.073 7.815 6.732 484 HG SER 65 HG SER 65 5.373 9.601 8.160 485 HA PRO 66 HA PRO 66 0.480 9.979 7.547 486 1HB PRO 66 1HB PRO 66 -0.293 10.958 10.086 487 2HB PRO 66 2HB PRO 66 -1.046 9.618 9.173 488 1HG PRO 66 1HG PRO 66 1.067 9.455 11.335 489 2HG PRO 66 2HG PRO 66 -0.393 8.428 11.118 490 1HD PRO 66 1HD PRO 66 1.968 7.459 10.284 491 2HD PRO 66 2HD PRO 66 0.585 7.338 9.215 492 H GLY 67 H GLY 67 1.310 11.661 6.638 493 1HA GLY 67 1HA GLY 67 2.022 13.944 6.636 494 2HA GLY 67 2HA GLY 67 2.893 13.679 8.165 495 H LEU 68 H LEU 68 4.150 11.018 6.835 496 HA LEU 68 HA LEU 68 6.317 12.537 5.421 497 1HB LEU 68 1HB LEU 68 6.565 10.863 7.352 498 2HB LEU 68 2HB LEU 68 6.077 9.646 6.162 499 HG LEU 68 HG LEU 68 8.122 10.674 4.787 500 1HD1 LEU 68 1HD1 LEU 68 8.575 12.430 6.547 501 2HD1 LEU 68 2HD1 LEU 68 9.950 11.321 6.326 502 3HD1 LEU 68 3HD1 LEU 68 8.860 11.113 7.717 503 1HD2 LEU 68 1HD2 LEU 68 7.922 8.358 5.435 504 2HD2 LEU 68 2HD2 LEU 68 8.369 8.745 7.117 505 3HD2 LEU 68 3HD2 LEU 68 9.540 8.964 5.795 506 H TYR 69 H TYR 69 3.700 10.287 4.821 507 HA TYR 69 HA TYR 69 4.874 9.213 2.385 508 1HB TYR 69 1HB TYR 69 2.511 8.610 4.188 509 2HB TYR 69 2HB TYR 69 2.590 7.958 2.575 510 HD1 TYR 69 HD1 TYR 69 2.487 5.724 3.422 511 HD2 TYR 69 HD2 TYR 69 5.817 8.260 4.416 512 HE1 TYR 69 HE1 TYR 69 3.883 3.774 3.593 513 HE2 TYR 69 HE2 TYR 69 7.111 6.251 5.047 514 HH TYR 69 HH TYR 69 5.842 2.954 4.237 515 H ARG 70 H ARG 70 4.830 10.525 0.619 516 HA ARG 70 HA ARG 70 2.421 11.771 -0.418 517 1HB ARG 70 1HB ARG 70 4.961 12.277 -0.978 518 2HB ARG 70 2HB ARG 70 4.818 10.931 -2.043 519 1HG ARG 70 1HG ARG 70 3.510 13.595 -2.214 520 2HG ARG 70 2HG ARG 70 4.577 12.802 -3.339 521 1HD ARG 70 1HD ARG 70 2.911 11.285 -4.115 522 2HD ARG 70 2HD ARG 70 1.768 11.806 -2.848 523 HE ARG 70 HE ARG 70 2.639 13.960 -4.559 524 1HH1 ARG 70 1HH1 ARG 70 0.393 11.239 -4.537 525 2HH1 ARG 70 2HH1 ARG 70 -0.932 12.185 -5.175 526 1HH2 ARG 70 1HH2 ARG 70 0.990 15.038 -5.653 527 2HH2 ARG 70 2HH2 ARG 70 -0.533 14.260 -5.950 528 H VAL 71 H VAL 71 1.226 9.692 0.101 529 HA VAL 71 HA VAL 71 1.478 7.438 -1.739 530 HB VAL 71 HB VAL 71 -0.999 8.016 -0.090 531 1HG1 VAL 71 1HG1 VAL 71 -1.401 6.279 -1.798 532 2HG1 VAL 71 2HG1 VAL 71 0.098 5.441 -1.332 533 3HG1 VAL 71 3HG1 VAL 71 -1.277 5.530 -0.211 534 1HG2 VAL 71 1HG2 VAL 71 1.588 6.553 0.585 535 2HG2 VAL 71 2HG2 VAL 71 0.854 7.947 1.409 536 3HG2 VAL 71 3HG2 VAL 71 0.092 6.363 1.512 537 H SER 72 H SER 72 0.643 7.069 -3.672 538 HA SER 72 HA SER 72 -1.659 8.640 -4.727 539 1HB SER 72 1HB SER 72 0.660 8.167 -6.529 540 2HB SER 72 2HB SER 72 -0.405 9.551 -6.364 541 HG SER 72 HG SER 72 1.794 8.883 -4.691 542 H ILE 73 H ILE 73 -3.010 7.459 -6.091 543 HA ILE 73 HA ILE 73 -2.357 4.641 -6.747 544 HB ILE 73 HB ILE 73 -4.688 6.417 -7.609 545 1HG1 ILE 73 1HG1 ILE 73 -4.624 4.252 -5.471 546 2HG1 ILE 73 2HG1 ILE 73 -4.623 5.979 -5.127 547 1HG2 ILE 73 1HG2 ILE 73 -5.768 4.328 -8.352 548 2HG2 ILE 73 2HG2 ILE 73 -4.239 4.527 -9.180 549 3HG2 ILE 73 3HG2 ILE 73 -4.359 3.385 -7.825 550 1HD1 ILE 73 1HD1 ILE 73 -6.841 6.200 -6.255 551 2HD1 ILE 73 2HD1 ILE 73 -6.895 4.427 -6.413 552 3HD1 ILE 73 3HD1 ILE 73 -6.851 5.171 -4.809 553 H THR 74 H THR 74 -1.095 4.097 -8.347 554 HA THR 74 HA THR 74 -0.386 6.066 -10.377 555 HB THR 74 HB THR 74 0.794 3.330 -10.539 556 HG1 THR 74 HG1 THR 74 1.112 4.992 -8.275 557 1HG2 THR 74 1HG2 THR 74 1.907 6.138 -10.127 558 2HG2 THR 74 2HG2 THR 74 1.681 5.340 -11.704 559 3HG2 THR 74 3HG2 THR 74 2.856 4.688 -10.539 560 H SER 75 H SER 75 -1.889 6.335 -11.970 561 HA SER 75 HA SER 75 -2.611 3.931 -13.592 562 1HB SER 75 1HB SER 75 -4.386 6.284 -12.802 563 2HB SER 75 2HB SER 75 -4.785 5.103 -14.048 564 HG SER 75 HG SER 75 -5.744 4.549 -12.055 565 H GLU 76 H GLU 76 -3.220 4.604 -15.860 566 HA GLU 76 HA GLU 76 -1.629 6.847 -16.862 567 1HB GLU 76 1HB GLU 76 -2.002 4.745 -18.224 568 2HB GLU 76 2HB GLU 76 -3.718 5.190 -18.336 569 1HG GLU 76 1HG GLU 76 -3.007 7.385 -19.370 570 2HG GLU 76 2HG GLU 76 -1.331 6.848 -19.299 571 H VAL 77 H VAL 77 -2.342 8.755 -16.922 572 HA VAL 77 HA VAL 77 -5.175 9.550 -17.119 573 HB VAL 77 HB VAL 77 -5.008 11.284 -15.473 574 1HG1 VAL 77 1HG1 VAL 77 -4.912 10.043 -13.389 575 2HG1 VAL 77 2HG1 VAL 77 -5.633 9.000 -14.624 576 3HG1 VAL 77 3HG1 VAL 77 -3.945 8.751 -14.112 577 1HG2 VAL 77 1HG2 VAL 77 -2.704 11.977 -15.607 578 2HG2 VAL 77 2HG2 VAL 77 -3.051 11.524 -13.939 579 3HG2 VAL 77 3HG2 VAL 77 -2.133 10.408 -14.970 Start of MODEL 13 1 1H ASN 1 1HT ASN 1 -12.909 -14.188 -5.020 2 HA ASN 1 HA ASN 1 -11.590 -13.674 -7.524 3 1HB ASN 1 1HB ASN 1 -14.154 -14.259 -8.009 4 2HB ASN 1 2HB ASN 1 -14.449 -12.632 -7.441 5 1HD2 ASN 1 1HD2 ASN 1 -12.396 -14.543 -9.655 6 2HD2 ASN 1 2HD2 ASN 1 -12.292 -13.288 -10.896 7 H ASP 2 H ASP 2 -10.182 -12.650 -5.934 8 HA ASP 2 HA ASP 2 -11.194 -10.396 -4.423 9 1HB ASP 2 1HB ASP 2 -8.665 -10.150 -3.877 10 2HB ASP 2 2HB ASP 2 -9.652 -11.359 -3.114 11 H SER 3 H SER 3 -10.083 -8.344 -4.462 12 HA SER 3 HA SER 3 -9.842 -7.302 -7.238 13 1HB SER 3 1HB SER 3 -11.570 -6.287 -5.833 14 2HB SER 3 2HB SER 3 -10.379 -5.940 -4.576 15 HG SER 3 HG SER 3 -10.623 -4.092 -5.777 16 H THR 4 H THR 4 -8.326 -5.273 -7.169 17 HA THR 4 HA THR 4 -5.855 -5.549 -5.669 18 HB THR 4 HB THR 4 -6.002 -6.567 -8.512 19 HG1 THR 4 HG1 THR 4 -6.058 -7.727 -6.342 20 1HG2 THR 4 1HG2 THR 4 -3.479 -5.655 -7.043 21 2HG2 THR 4 2HG2 THR 4 -4.096 -5.015 -8.589 22 3HG2 THR 4 3HG2 THR 4 -3.507 -6.678 -8.493 23 H ALA 5 H ALA 5 -4.616 -3.794 -5.762 24 HA ALA 5 HA ALA 5 -5.071 -1.662 -7.740 25 1HB ALA 5 1HB ALA 5 -5.385 0.006 -5.870 26 2HB ALA 5 2HB ALA 5 -6.720 -1.172 -6.011 27 3HB ALA 5 3HB ALA 5 -5.493 -1.359 -4.739 28 H THR 6 H THR 6 -3.522 0.038 -7.600 29 HA THR 6 HA THR 6 -0.887 -0.732 -6.444 30 HB THR 6 HB THR 6 -1.337 0.772 -9.039 31 HG1 THR 6 HG1 THR 6 -0.756 -1.162 -10.009 32 1HG2 THR 6 1HG2 THR 6 1.075 0.197 -9.402 33 2HG2 THR 6 2HG2 THR 6 1.128 -0.489 -7.757 34 3HG2 THR 6 3HG2 THR 6 0.827 1.246 -7.999 35 H PHE 7 H PHE 7 0.234 0.762 -5.489 36 HA PHE 7 HA PHE 7 -0.688 3.583 -5.383 37 1HB PHE 7 1HB PHE 7 0.055 2.050 -2.892 38 2HB PHE 7 2HB PHE 7 -0.686 3.628 -3.024 39 HD1 PHE 7 HD1 PHE 7 -1.466 -0.071 -3.353 40 HD2 PHE 7 HD2 PHE 7 -3.057 3.953 -3.340 41 HE1 PHE 7 HE1 PHE 7 -3.697 -0.965 -3.388 42 HE2 PHE 7 HE2 PHE 7 -5.343 3.006 -3.349 43 HZ PHE 7 HZ PHE 7 -5.678 0.553 -3.359 44 H ILE 8 H ILE 8 0.954 5.042 -5.090 45 HA ILE 8 HA ILE 8 3.709 4.020 -4.572 46 HB ILE 8 HB ILE 8 3.139 4.636 -7.016 47 1HG1 ILE 8 1HG1 ILE 8 5.373 6.377 -5.892 48 2HG1 ILE 8 2HG1 ILE 8 5.429 4.622 -5.754 49 1HG2 ILE 8 1HG2 ILE 8 3.090 6.982 -7.655 50 2HG2 ILE 8 2HG2 ILE 8 1.769 6.629 -6.533 51 3HG2 ILE 8 3HG2 ILE 8 3.212 7.492 -5.955 52 1HD1 ILE 8 1HD1 ILE 8 5.213 6.099 -8.391 53 2HD1 ILE 8 2HD1 ILE 8 6.672 5.343 -7.711 54 3HD1 ILE 8 3HD1 ILE 8 5.288 4.330 -8.156 55 H ILE 9 H ILE 9 4.987 5.136 -3.289 56 HA ILE 9 HA ILE 9 3.744 7.333 -1.721 57 HB ILE 9 HB ILE 9 5.914 5.358 -0.882 58 1HG1 ILE 9 1HG1 ILE 9 4.165 4.265 0.557 59 2HG1 ILE 9 2HG1 ILE 9 2.930 4.943 -0.425 60 1HG2 ILE 9 1HG2 ILE 9 4.079 7.214 0.687 61 2HG2 ILE 9 2HG2 ILE 9 5.206 6.046 1.406 62 3HG2 ILE 9 3HG2 ILE 9 5.834 7.377 0.469 63 1HD1 ILE 9 1HD1 ILE 9 5.221 3.044 -1.128 64 2HD1 ILE 9 2HD1 ILE 9 3.563 2.548 -0.755 65 3HD1 ILE 9 3HD1 ILE 9 3.872 3.435 -2.255 66 H ASP 10 H ASP 10 5.168 9.083 -1.265 67 HA ASP 10 HA ASP 10 8.007 8.627 -1.913 68 1HB ASP 10 1HB ASP 10 6.620 10.312 -3.559 69 2HB ASP 10 2HB ASP 10 7.147 11.458 -2.339 70 H GLY 11 H GLY 11 9.421 9.317 -0.398 71 1HA GLY 11 1HA GLY 11 10.041 10.643 1.569 72 2HA GLY 11 2HA GLY 11 8.329 10.660 2.059 73 H MET 12 H MET 12 8.326 7.742 0.978 74 HA MET 12 HA MET 12 8.938 6.342 3.401 75 1HB MET 12 1HB MET 12 8.189 4.457 2.293 76 2HB MET 12 2HB MET 12 7.465 5.621 1.362 77 1HG MET 12 1HG MET 12 9.260 5.439 -0.317 78 2HG MET 12 2HG MET 12 10.035 4.188 0.622 79 1HE MET 12 1HE MET 12 8.065 1.038 0.035 80 2HE MET 12 2HE MET 12 9.631 1.781 0.396 81 3HE MET 12 3HE MET 12 8.256 1.981 1.520 82 H HIS 13 H HIS 13 10.770 5.596 4.171 83 HA HIS 13 HA HIS 13 13.287 6.447 3.359 84 1HB HIS 13 1HB HIS 13 12.250 4.336 5.247 85 2HB HIS 13 2HB HIS 13 13.978 4.645 5.115 86 HD1 HIS 13 HD1 HIS 13 14.879 6.319 6.810 87 HD2 HIS 13 HD2 HIS 13 10.893 7.074 5.693 88 HE1 HIS 13 HE1 HIS 13 14.098 8.323 8.175 89 H CYS 14 H CYS 14 11.892 4.598 1.283 90 HA CYS 14 HA CYS 14 12.568 3.390 -0.530 91 1HB CYS 14 1HB CYS 14 15.120 4.623 0.519 92 2HB CYS 14 2HB CYS 14 15.163 3.557 -0.873 93 HG CYS 14 HG CYS 14 13.141 6.189 -0.385 94 H LYS 15 H LYS 15 13.792 2.233 2.432 95 HA LYS 15 HA LYS 15 14.322 -0.496 1.307 96 1HB LYS 15 1HB LYS 15 16.017 1.348 3.031 97 2HB LYS 15 2HB LYS 15 16.345 -0.390 2.945 98 1HG LYS 15 1HG LYS 15 16.424 1.478 0.522 99 2HG LYS 15 2HG LYS 15 17.766 1.224 1.602 100 1HD LYS 15 1HD LYS 15 18.233 -0.154 -0.196 101 2HD LYS 15 2HD LYS 15 17.728 -1.225 1.094 102 1HE LYS 15 1HE LYS 15 16.829 -2.026 -0.993 103 2HE LYS 15 2HE LYS 15 15.489 -1.458 -0.002 104 1HZ LYS 15 1HZ LYS 15 15.312 -0.723 -2.315 105 2HZ LYS 15 2HZ LYS 15 16.711 0.132 -2.199 106 3HZ LYS 15 3HZ LYS 15 15.365 0.519 -1.311 107 H SER 16 H SER 16 14.740 0.626 4.716 108 HA SER 16 HA SER 16 13.091 -1.461 5.790 109 1HB SER 16 1HB SER 16 13.074 0.103 7.811 110 2HB SER 16 2HB SER 16 14.680 -0.343 7.198 111 HG SER 16 HG SER 16 14.376 1.958 7.619 112 H CYS 17 H CYS 17 11.982 1.743 4.459 113 HA CYS 17 HA CYS 17 9.385 1.560 5.643 114 1HB CYS 17 1HB CYS 17 10.707 3.121 3.447 115 2HB CYS 17 2HB CYS 17 9.011 2.934 3.346 116 HG CYS 17 HG CYS 17 8.566 3.484 6.025 117 H VAL 18 H VAL 18 10.791 -0.137 2.910 118 HA VAL 18 HA VAL 18 8.409 -0.812 1.513 119 HB VAL 18 HB VAL 18 11.088 -2.261 1.788 120 1HG1 VAL 18 1HG1 VAL 18 9.028 -2.573 -0.394 121 2HG1 VAL 18 2HG1 VAL 18 10.648 -3.291 -0.392 122 3HG1 VAL 18 3HG1 VAL 18 9.476 -3.803 0.824 123 1HG2 VAL 18 1HG2 VAL 18 11.314 0.072 0.897 124 2HG2 VAL 18 2HG2 VAL 18 11.747 -1.154 -0.290 125 3HG2 VAL 18 3HG2 VAL 18 10.175 -0.344 -0.400 126 H SER 19 H SER 19 10.257 -2.490 4.068 127 HA SER 19 HA SER 19 8.459 -4.720 4.324 128 1HB SER 19 1HB SER 19 10.938 -4.558 4.846 129 2HB SER 19 2HB SER 19 10.498 -3.743 6.348 130 HG SER 19 HG SER 19 9.585 -6.318 5.475 131 H ASN 20 H ASN 20 8.463 -1.562 5.982 132 HA ASN 20 HA ASN 20 6.403 -2.276 7.914 133 1HB ASN 20 1HB ASN 20 6.925 0.357 6.532 134 2HB ASN 20 2HB ASN 20 5.819 0.145 7.842 135 1HD2 ASN 20 1HD2 ASN 20 8.778 1.169 7.084 136 2HD2 ASN 20 2HD2 ASN 20 9.531 1.064 8.659 137 H ILE 21 H ILE 21 6.390 -1.155 4.493 138 HA ILE 21 HA ILE 21 3.516 -0.772 4.484 139 HB ILE 21 HB ILE 21 5.030 -1.214 1.925 140 1HG1 ILE 21 1HG1 ILE 21 5.756 0.968 3.863 141 2HG1 ILE 21 2HG1 ILE 21 6.547 0.275 2.465 142 1HG2 ILE 21 1HG2 ILE 21 3.314 0.385 1.113 143 2HG2 ILE 21 2HG2 ILE 21 2.581 -0.983 1.929 144 3HG2 ILE 21 3HG2 ILE 21 2.704 0.558 2.786 145 1HD1 ILE 21 1HD1 ILE 21 6.113 2.636 2.108 146 2HD1 ILE 21 2HD1 ILE 21 5.395 1.589 0.873 147 3HD1 ILE 21 3HD1 ILE 21 4.375 2.317 2.129 148 H GLU 22 H GLU 22 5.574 -3.549 3.513 149 HA GLU 22 HA GLU 22 3.558 -5.370 2.726 150 1HB GLU 22 1HB GLU 22 6.096 -5.713 4.384 151 2HB GLU 22 2HB GLU 22 5.121 -7.056 3.823 152 1HG GLU 22 1HG GLU 22 5.678 -6.713 1.566 153 2HG GLU 22 2HG GLU 22 6.182 -5.054 1.860 154 H SER 23 H SER 23 4.848 -4.709 6.006 155 HA SER 23 HA SER 23 3.111 -6.539 7.291 156 1HB SER 23 1HB SER 23 4.628 -4.149 8.460 157 2HB SER 23 2HB SER 23 4.017 -5.543 9.376 158 HG SER 23 HG SER 23 6.144 -5.436 7.489 159 H THR 24 H THR 24 2.815 -2.987 7.219 160 HA THR 24 HA THR 24 0.498 -2.892 8.916 161 HB THR 24 HB THR 24 1.686 -0.845 6.955 162 HG1 THR 24 HG1 THR 24 2.556 -0.091 8.906 163 1HG2 THR 24 1HG2 THR 24 -0.642 -0.203 7.453 164 2HG2 THR 24 2HG2 THR 24 0.463 0.833 8.362 165 3HG2 THR 24 3HG2 THR 24 -0.383 -0.498 9.185 166 H LEU 25 H LEU 25 0.899 -3.138 5.404 167 HA LEU 25 HA LEU 25 -1.983 -2.942 4.964 168 1HB LEU 25 1HB LEU 25 0.358 -3.725 3.231 169 2HB LEU 25 2HB LEU 25 -1.278 -3.840 2.656 170 HG LEU 25 HG LEU 25 0.199 -1.718 2.117 171 1HD1 LEU 25 1HD1 LEU 25 -2.745 -1.601 2.854 172 2HD1 LEU 25 2HD1 LEU 25 -2.027 -2.094 1.298 173 3HD1 LEU 25 3HD1 LEU 25 -1.888 -0.420 1.849 174 1HD2 LEU 25 1HD2 LEU 25 -1.059 -0.796 4.746 175 2HD2 LEU 25 2HD2 LEU 25 -0.297 0.237 3.557 176 3HD2 LEU 25 3HD2 LEU 25 0.688 -0.947 4.408 177 H SER 26 H SER 26 0.370 -5.752 5.043 178 HA SER 26 HA SER 26 -1.773 -7.558 4.256 179 1HB SER 26 1HB SER 26 0.631 -7.952 3.762 180 2HB SER 26 2HB SER 26 0.935 -8.220 5.471 181 HG SER 26 HG SER 26 -0.762 -9.860 5.317 182 H ALA 27 H ALA 27 -1.875 -5.958 6.914 183 HA ALA 27 HA ALA 27 -2.699 -8.192 8.735 184 1HB ALA 27 1HB ALA 27 -1.948 -5.287 9.339 185 2HB ALA 27 2HB ALA 27 -2.447 -6.505 10.535 186 3HB ALA 27 3HB ALA 27 -0.924 -6.706 9.642 187 H LEU 28 H LEU 28 -3.948 -5.922 6.483 188 HA LEU 28 HA LEU 28 -6.076 -4.909 8.134 189 1HB LEU 28 1HB LEU 28 -5.677 -4.877 5.112 190 2HB LEU 28 2HB LEU 28 -6.897 -3.956 5.992 191 HG LEU 28 HG LEU 28 -3.936 -3.598 6.577 192 1HD1 LEU 28 1HD1 LEU 28 -3.771 -1.813 5.042 193 2HD1 LEU 28 2HD1 LEU 28 -5.484 -1.810 4.674 194 3HD1 LEU 28 3HD1 LEU 28 -4.450 -3.151 4.104 195 1HD2 LEU 28 1HD2 LEU 28 -5.498 -2.694 8.234 196 2HD2 LEU 28 2HD2 LEU 28 -6.366 -1.818 6.949 197 3HD2 LEU 28 3HD2 LEU 28 -4.670 -1.398 7.347 198 H GLN 29 H GLN 29 -8.076 -5.806 8.500 199 HA GLN 29 HA GLN 29 -8.484 -8.526 8.019 200 1HB GLN 29 1HB GLN 29 -10.637 -6.428 8.590 201 2HB GLN 29 2HB GLN 29 -10.800 -8.168 8.770 202 1HG GLN 29 1HG GLN 29 -10.395 -7.646 10.930 203 2HG GLN 29 2HG GLN 29 -8.738 -7.946 10.423 204 1HE2 GLN 29 1HE2 GLN 29 -9.838 -6.196 12.674 205 2HE2 GLN 29 2HE2 GLN 29 -9.149 -4.617 12.286 206 H TYR 30 H TYR 30 -9.203 -5.990 5.754 207 HA TYR 30 HA TYR 30 -10.870 -7.792 4.092 208 1HB TYR 30 1HB TYR 30 -10.931 -5.743 2.587 209 2HB TYR 30 2HB TYR 30 -11.779 -5.680 4.122 210 HD1 TYR 30 HD1 TYR 30 -8.093 -4.925 3.264 211 HD2 TYR 30 HD2 TYR 30 -11.835 -3.535 4.949 212 HE1 TYR 30 HE1 TYR 30 -7.087 -2.795 3.760 213 HE2 TYR 30 HE2 TYR 30 -10.749 -1.384 5.537 214 HH TYR 30 HH TYR 30 -7.326 -0.683 4.722 215 H VAL 31 H VAL 31 -7.450 -7.420 4.340 216 HA VAL 31 HA VAL 31 -7.177 -7.351 1.378 217 HB VAL 31 HB VAL 31 -5.796 -5.736 2.713 218 1HG1 VAL 31 1HG1 VAL 31 -5.034 -6.973 4.450 219 2HG1 VAL 31 2HG1 VAL 31 -4.287 -8.221 3.378 220 3HG1 VAL 31 3HG1 VAL 31 -3.671 -6.556 3.392 221 1HG2 VAL 31 1HG2 VAL 31 -5.227 -6.321 0.324 222 2HG2 VAL 31 2HG2 VAL 31 -3.804 -5.969 1.301 223 3HG2 VAL 31 3HG2 VAL 31 -4.180 -7.643 0.941 224 H SER 32 H SER 32 -6.232 -8.984 0.203 225 HA SER 32 HA SER 32 -6.307 -11.718 1.412 226 1HB SER 32 1HB SER 32 -7.772 -11.127 -0.517 227 2HB SER 32 2HB SER 32 -6.332 -10.704 -1.453 228 HG SER 32 HG SER 32 -6.895 -12.717 -2.025 229 H SER 33 H SER 33 -4.188 -9.392 -0.221 230 HA SER 33 HA SER 33 -1.714 -10.760 0.345 231 1HB SER 33 1HB SER 33 -3.148 -11.292 -2.207 232 2HB SER 33 2HB SER 33 -1.434 -11.092 -2.338 233 HG SER 33 HG SER 33 -2.766 -12.812 -0.497 234 H ILE 34 H ILE 34 0.031 -9.927 -1.115 235 HA ILE 34 HA ILE 34 -0.034 -7.233 -2.105 236 HB ILE 34 HB ILE 34 -0.424 -6.708 0.259 237 1HG1 ILE 34 1HG1 ILE 34 2.427 -5.885 -0.404 238 2HG1 ILE 34 2HG1 ILE 34 1.014 -5.234 -1.245 239 1HG2 ILE 34 1HG2 ILE 34 1.293 -7.135 1.993 240 2HG2 ILE 34 2HG2 ILE 34 0.630 -8.641 1.366 241 3HG2 ILE 34 3HG2 ILE 34 2.238 -8.085 0.846 242 1HD1 ILE 34 1HD1 ILE 34 1.713 -3.715 0.515 243 2HD1 ILE 34 2HD1 ILE 34 0.112 -4.393 0.880 244 3HD1 ILE 34 3HD1 ILE 34 1.548 -4.983 1.740 245 H VAL 35 H VAL 35 1.834 -6.549 -2.939 246 HA VAL 35 HA VAL 35 4.439 -7.882 -2.502 247 HB VAL 35 HB VAL 35 3.075 -7.477 -5.206 248 1HG1 VAL 35 1HG1 VAL 35 6.080 -7.779 -4.769 249 2HG1 VAL 35 2HG1 VAL 35 5.251 -7.988 -6.327 250 3HG1 VAL 35 3HG1 VAL 35 5.238 -6.413 -5.544 251 1HG2 VAL 35 1HG2 VAL 35 3.952 -9.802 -5.605 252 2HG2 VAL 35 2HG2 VAL 35 4.644 -9.783 -3.965 253 3HG2 VAL 35 3HG2 VAL 35 2.878 -9.730 -4.203 254 H VAL 36 H VAL 36 6.162 -6.351 -2.804 255 HA VAL 36 HA VAL 36 5.367 -3.584 -3.499 256 HB VAL 36 HB VAL 36 5.089 -3.804 -1.053 257 1HG1 VAL 36 1HG1 VAL 36 7.168 -3.992 0.333 258 2HG1 VAL 36 2HG1 VAL 36 6.672 -5.491 -0.489 259 3HG1 VAL 36 3HG1 VAL 36 8.034 -4.543 -1.103 260 1HG2 VAL 36 1HG2 VAL 36 5.605 -1.598 -1.885 261 2HG2 VAL 36 2HG2 VAL 36 6.402 -1.855 -0.335 262 3HG2 VAL 36 3HG2 VAL 36 7.346 -1.923 -1.833 263 H SER 37 H SER 37 6.984 -2.278 -4.236 264 HA SER 37 HA SER 37 9.228 -3.534 -5.602 265 1HB SER 37 1HB SER 37 8.193 -0.713 -5.227 266 2HB SER 37 2HB SER 37 9.776 -1.016 -5.931 267 HG SER 37 HG SER 37 8.977 -1.820 -7.664 268 H LEU 38 H LEU 38 11.337 -3.433 -5.142 269 HA LEU 38 HA LEU 38 12.217 -2.233 -2.541 270 1HB LEU 38 1HB LEU 38 12.900 -4.704 -4.025 271 2HB LEU 38 2HB LEU 38 14.329 -3.754 -3.679 272 HG LEU 38 HG LEU 38 12.266 -4.531 -1.562 273 1HD1 LEU 38 1HD1 LEU 38 13.298 -6.559 -2.501 274 2HD1 LEU 38 2HD1 LEU 38 13.873 -6.265 -0.853 275 3HD1 LEU 38 3HD1 LEU 38 14.919 -5.879 -2.240 276 1HD2 LEU 38 1HD2 LEU 38 13.703 -2.555 -1.001 277 2HD2 LEU 38 2HD2 LEU 38 15.145 -3.532 -1.337 278 3HD2 LEU 38 3HD2 LEU 38 14.078 -3.948 0.027 279 H GLU 39 H GLU 39 12.500 -2.115 -5.964 280 HA GLU 39 HA GLU 39 14.745 -0.332 -6.170 281 1HB GLU 39 1HB GLU 39 14.636 -0.876 -8.347 282 2HB GLU 39 2HB GLU 39 14.461 -2.350 -7.445 283 1HG GLU 39 1HG GLU 39 12.584 -0.969 -9.324 284 2HG GLU 39 2HG GLU 39 13.189 -2.611 -9.282 285 H ASN 40 H ASN 40 11.272 -0.289 -6.732 286 HA ASN 40 HA ASN 40 11.254 2.661 -7.113 287 1HB ASN 40 1HB ASN 40 9.164 0.574 -7.732 288 2HB ASN 40 2HB ASN 40 8.787 2.300 -7.670 289 1HD2 ASN 40 1HD2 ASN 40 10.601 -0.173 -9.363 290 2HD2 ASN 40 2HD2 ASN 40 11.442 0.969 -10.414 291 H ARG 41 H ARG 41 8.940 3.478 -6.019 292 HA ARG 41 HA ARG 41 9.009 2.707 -3.117 293 1HB ARG 41 1HB ARG 41 8.505 5.454 -4.352 294 2HB ARG 41 2HB ARG 41 8.324 5.048 -2.664 295 1HG ARG 41 1HG ARG 41 10.329 5.788 -2.333 296 2HG ARG 41 2HG ARG 41 10.798 4.170 -2.866 297 1HD ARG 41 1HD ARG 41 12.076 5.476 -4.146 298 2HD ARG 41 2HD ARG 41 10.737 5.220 -5.264 299 HE ARG 41 HE ARG 41 10.286 7.629 -3.734 300 1HH1 ARG 41 1HH1 ARG 41 12.362 6.463 -6.325 301 2HH1 ARG 41 2HH1 ARG 41 12.518 8.047 -7.032 302 1HH2 ARG 41 1HH2 ARG 41 10.553 9.632 -4.607 303 2HH2 ARG 41 2HH2 ARG 41 11.521 9.868 -6.029 304 H SER 42 H SER 42 7.422 1.124 -4.704 305 HA SER 42 HA SER 42 4.649 2.115 -4.211 306 1HB SER 42 1HB SER 42 4.156 0.984 -6.528 307 2HB SER 42 2HB SER 42 4.787 2.617 -6.471 308 HG SER 42 HG SER 42 6.254 0.227 -7.029 309 H ALA 43 H ALA 43 3.004 0.586 -4.263 310 HA ALA 43 HA ALA 43 3.794 -2.220 -3.634 311 1HB ALA 43 1HB ALA 43 1.807 -0.442 -2.132 312 2HB ALA 43 2HB ALA 43 2.185 -2.147 -1.770 313 3HB ALA 43 3HB ALA 43 3.426 -0.904 -1.542 314 H ILE 44 H ILE 44 2.465 -3.771 -4.336 315 HA ILE 44 HA ILE 44 -0.035 -3.063 -5.839 316 HB ILE 44 HB ILE 44 1.917 -5.363 -6.272 317 1HG1 ILE 44 1HG1 ILE 44 1.089 -3.092 -8.152 318 2HG1 ILE 44 2HG1 ILE 44 2.572 -3.073 -7.203 319 1HG2 ILE 44 1HG2 ILE 44 -0.754 -4.744 -7.635 320 2HG2 ILE 44 2HG2 ILE 44 0.360 -6.053 -8.091 321 3HG2 ILE 44 3HG2 ILE 44 -0.440 -6.102 -6.530 322 1HD1 ILE 44 1HD1 ILE 44 3.116 -3.774 -9.434 323 2HD1 ILE 44 2HD1 ILE 44 3.321 -5.171 -8.357 324 3HD1 ILE 44 3HD1 ILE 44 1.894 -5.051 -9.415 325 H VAL 45 H VAL 45 -1.749 -3.587 -4.685 326 HA VAL 45 HA VAL 45 -1.461 -5.465 -2.347 327 HB VAL 45 HB VAL 45 -3.153 -2.996 -2.536 328 1HG1 VAL 45 1HG1 VAL 45 -3.297 -3.278 -0.070 329 2HG1 VAL 45 2HG1 VAL 45 -3.847 -4.742 -0.879 330 3HG1 VAL 45 3HG1 VAL 45 -2.226 -4.692 -0.159 331 1HG2 VAL 45 1HG2 VAL 45 -0.415 -3.229 -1.222 332 2HG2 VAL 45 2HG2 VAL 45 -0.827 -2.207 -2.609 333 3HG2 VAL 45 3HG2 VAL 45 -1.533 -1.861 -1.034 334 H VAL 46 H VAL 46 -3.064 -6.987 -2.191 335 HA VAL 46 HA VAL 46 -5.194 -7.083 -4.289 336 HB VAL 46 HB VAL 46 -3.672 -9.291 -2.857 337 1HG1 VAL 46 1HG1 VAL 46 -4.556 -10.880 -4.353 338 2HG1 VAL 46 2HG1 VAL 46 -5.930 -10.003 -3.654 339 3HG1 VAL 46 3HG1 VAL 46 -5.409 -9.632 -5.312 340 1HG2 VAL 46 1HG2 VAL 46 -2.048 -8.228 -4.245 341 2HG2 VAL 46 2HG2 VAL 46 -2.502 -9.756 -4.992 342 3HG2 VAL 46 3HG2 VAL 46 -3.140 -8.231 -5.640 343 H TYR 47 H TYR 47 -7.273 -6.915 -3.296 344 HA TYR 47 HA TYR 47 -7.551 -7.810 -0.459 345 1HB TYR 47 1HB TYR 47 -8.586 -5.799 0.249 346 2HB TYR 47 2HB TYR 47 -7.066 -5.358 -0.494 347 HD1 TYR 47 HD1 TYR 47 -10.668 -4.931 -0.534 348 HD2 TYR 47 HD2 TYR 47 -7.122 -4.516 -2.944 349 HE1 TYR 47 HE1 TYR 47 -11.942 -3.572 -2.188 350 HE2 TYR 47 HE2 TYR 47 -8.356 -3.152 -4.573 351 HH TYR 47 HH TYR 47 -11.961 -2.882 -4.343 352 H ASN 48 H ASN 48 -9.748 -8.209 0.284 353 HA ASN 48 HA ASN 48 -11.261 -9.416 -1.962 354 1HB ASN 48 1HB ASN 48 -10.435 -10.882 -0.161 355 2HB ASN 48 2HB ASN 48 -11.344 -9.950 1.039 356 1HD2 ASN 48 1HD2 ASN 48 -13.759 -10.032 0.918 357 2HD2 ASN 48 2HD2 ASN 48 -14.476 -11.443 0.120 358 H ALA 49 H ALA 49 -12.802 -8.218 -2.753 359 HA ALA 49 HA ALA 49 -15.164 -7.509 -1.316 360 1HB ALA 49 1HB ALA 49 -15.053 -5.045 -1.696 361 2HB ALA 49 2HB ALA 49 -13.763 -5.555 -0.590 362 3HB ALA 49 3HB ALA 49 -13.393 -5.229 -2.301 363 H SER 50 H SER 50 -16.877 -7.178 -2.866 364 HA SER 50 HA SER 50 -16.268 -7.806 -5.646 365 1HB SER 50 1HB SER 50 -18.896 -6.821 -4.487 366 2HB SER 50 2HB SER 50 -18.652 -7.836 -5.918 367 HG SER 50 HG SER 50 -18.067 -9.541 -4.543 368 H SER 51 H SER 51 -15.462 -5.079 -4.227 369 HA SER 51 HA SER 51 -16.685 -3.241 -6.219 370 1HB SER 51 1HB SER 51 -16.237 -2.689 -3.263 371 2HB SER 51 2HB SER 51 -16.768 -1.505 -4.465 372 HG SER 51 HG SER 51 -18.586 -2.331 -3.438 373 H VAL 52 H VAL 52 -15.214 -1.979 -7.284 374 HA VAL 52 HA VAL 52 -12.405 -1.859 -6.572 375 HB VAL 52 HB VAL 52 -14.000 -0.171 -8.541 376 1HG1 VAL 52 1HG1 VAL 52 -10.975 -0.477 -8.152 377 2HG1 VAL 52 2HG1 VAL 52 -11.745 0.342 -9.528 378 3HG1 VAL 52 3HG1 VAL 52 -11.920 1.007 -7.906 379 1HG2 VAL 52 1HG2 VAL 52 -12.947 -1.628 -10.254 380 2HG2 VAL 52 2HG2 VAL 52 -12.234 -2.622 -8.965 381 3HG2 VAL 52 3HG2 VAL 52 -13.998 -2.543 -9.169 382 H THR 53 H THR 53 -12.211 -1.145 -4.554 383 HA THR 53 HA THR 53 -12.831 1.702 -3.899 384 HB THR 53 HB THR 53 -13.123 -0.593 -1.926 385 HG1 THR 53 HG1 THR 53 -15.350 -0.200 -2.213 386 1HG2 THR 53 1HG2 THR 53 -14.366 1.112 -0.615 387 2HG2 THR 53 2HG2 THR 53 -14.055 2.324 -1.878 388 3HG2 THR 53 3HG2 THR 53 -12.715 1.661 -0.920 389 HA PRO 54 HA PRO 54 -8.407 0.197 -3.388 390 1HB PRO 54 1HB PRO 54 -7.088 2.169 -4.765 391 2HB PRO 54 2HB PRO 54 -7.892 0.791 -5.571 392 1HG PRO 54 1HG PRO 54 -9.031 3.567 -5.114 393 2HG PRO 54 2HG PRO 54 -8.935 2.651 -6.658 394 1HD PRO 54 1HD PRO 54 -11.189 2.619 -5.168 395 2HD PRO 54 2HD PRO 54 -10.599 1.122 -5.952 396 H GLU 55 H GLU 55 -9.965 3.271 -2.689 397 HA GLU 55 HA GLU 55 -7.882 4.677 -1.475 398 1HB GLU 55 1HB GLU 55 -10.896 4.724 -1.162 399 2HB GLU 55 2HB GLU 55 -9.876 5.829 -0.252 400 1HG GLU 55 1HG GLU 55 -9.822 5.602 -3.300 401 2HG GLU 55 2HG GLU 55 -10.785 6.776 -2.403 402 H SER 56 H SER 56 -9.741 1.994 0.018 403 HA SER 56 HA SER 56 -9.127 2.738 2.759 404 1HB SER 56 1HB SER 56 -9.559 0.361 3.226 405 2HB SER 56 2HB SER 56 -10.874 1.112 2.301 406 HG SER 56 HG SER 56 -10.140 -1.038 1.581 407 H LEU 57 H LEU 57 -7.429 0.799 0.343 408 HA LEU 57 HA LEU 57 -5.246 0.023 2.096 409 1HB LEU 57 1HB LEU 57 -5.267 0.235 -0.912 410 2HB LEU 57 2HB LEU 57 -4.175 -0.729 0.059 411 HG LEU 57 HG LEU 57 -7.175 -1.195 -0.339 412 1HD1 LEU 57 1HD1 LEU 57 -5.750 -3.425 -1.228 413 2HD1 LEU 57 2HD1 LEU 57 -4.768 -2.033 -1.748 414 3HD1 LEU 57 3HD1 LEU 57 -6.451 -2.128 -2.241 415 1HD2 LEU 57 1HD2 LEU 57 -6.932 -3.288 0.873 416 2HD2 LEU 57 2HD2 LEU 57 -6.497 -1.922 1.910 417 3HD2 LEU 57 3HD2 LEU 57 -5.222 -2.953 1.225 418 H ARG 58 H ARG 58 -5.551 2.631 -0.384 419 HA ARG 58 HA ARG 58 -3.046 3.847 -0.158 420 1HB ARG 58 1HB ARG 58 -4.782 4.519 -1.749 421 2HB ARG 58 2HB ARG 58 -5.833 5.043 -0.482 422 1HG ARG 58 1HG ARG 58 -3.229 6.330 -0.225 423 2HG ARG 58 2HG ARG 58 -3.821 6.546 -1.858 424 1HD ARG 58 1HD ARG 58 -5.823 7.009 0.350 425 2HD ARG 58 2HD ARG 58 -4.520 8.167 0.242 426 HE ARG 58 HE ARG 58 -6.703 7.770 -1.647 427 1HH1 ARG 58 1HH1 ARG 58 -3.685 9.523 -1.044 428 2HH1 ARG 58 2HH1 ARG 58 -3.781 10.362 -2.569 429 1HH2 ARG 58 1HH2 ARG 58 -6.779 8.651 -3.458 430 2HH2 ARG 58 2HH2 ARG 58 -5.785 10.048 -3.892 431 H LYS 59 H LYS 59 -5.993 4.696 1.781 432 HA LYS 59 HA LYS 59 -4.695 6.410 3.586 433 1HB LYS 59 1HB LYS 59 -7.202 4.713 3.821 434 2HB LYS 59 2HB LYS 59 -6.725 5.973 4.940 435 1HG LYS 59 1HG LYS 59 -7.454 6.330 2.021 436 2HG LYS 59 2HG LYS 59 -8.342 6.908 3.411 437 1HD LYS 59 1HD LYS 59 -5.565 7.898 2.560 438 2HD LYS 59 2HD LYS 59 -7.056 8.577 2.072 439 1HE LYS 59 1HE LYS 59 -7.690 9.042 4.448 440 2HE LYS 59 2HE LYS 59 -6.144 8.339 4.969 441 1HZ LYS 59 1HZ LYS 59 -5.955 10.750 4.804 442 2HZ LYS 59 2HZ LYS 59 -6.405 10.707 3.206 443 3HZ LYS 59 3HZ LYS 59 -5.009 10.036 3.676 444 H ALA 60 H ALA 60 -4.819 2.802 3.710 445 HA ALA 60 HA ALA 60 -3.743 2.671 6.408 446 1HB ALA 60 1HB ALA 60 -3.651 0.627 4.140 447 2HB ALA 60 2HB ALA 60 -3.369 0.336 5.870 448 3HB ALA 60 3HB ALA 60 -4.983 0.816 5.299 449 H ILE 61 H ILE 61 -2.250 2.724 3.132 450 HA ILE 61 HA ILE 61 0.441 2.536 4.072 451 HB ILE 61 HB ILE 61 -0.510 4.036 1.585 452 1HG1 ILE 61 1HG1 ILE 61 0.338 1.121 1.702 453 2HG1 ILE 61 2HG1 ILE 61 -1.312 1.656 1.629 454 1HG2 ILE 61 1HG2 ILE 61 1.831 3.311 0.787 455 2HG2 ILE 61 2HG2 ILE 61 1.760 4.565 1.992 456 3HG2 ILE 61 3HG2 ILE 61 2.161 2.899 2.476 457 1HD1 ILE 61 1HD1 ILE 61 0.745 2.030 -0.546 458 2HD1 ILE 61 2HD1 ILE 61 -0.734 1.062 -0.570 459 3HD1 ILE 61 3HD1 ILE 61 -0.841 2.836 -0.526 460 H GLU 62 H GLU 62 -1.476 5.506 3.272 461 HA GLU 62 HA GLU 62 0.359 7.396 4.256 462 1HB GLU 62 1HB GLU 62 -2.689 7.449 4.305 463 2HB GLU 62 2HB GLU 62 -1.622 8.815 4.666 464 1HG GLU 62 1HG GLU 62 -0.687 8.769 2.433 465 2HG GLU 62 2HG GLU 62 -1.709 7.373 2.012 466 H ALA 63 H ALA 63 -1.624 5.133 6.150 467 HA ALA 63 HA ALA 63 -1.216 6.674 8.616 468 1HB ALA 63 1HB ALA 63 -2.651 4.955 9.630 469 2HB ALA 63 2HB ALA 63 -3.404 5.592 8.157 470 3HB ALA 63 3HB ALA 63 -2.598 4.003 8.136 471 H VAL 64 H VAL 64 0.854 4.852 6.961 472 HA VAL 64 HA VAL 64 2.011 3.479 9.340 473 HB VAL 64 HB VAL 64 1.870 2.451 6.873 474 1HG1 VAL 64 1HG1 VAL 64 4.652 3.516 6.677 475 2HG1 VAL 64 2HG1 VAL 64 3.708 2.487 5.567 476 3HG1 VAL 64 3HG1 VAL 64 3.232 4.182 5.847 477 1HG2 VAL 64 1HG2 VAL 64 3.724 0.960 7.571 478 2HG2 VAL 64 2HG2 VAL 64 4.421 2.251 8.591 479 3HG2 VAL 64 3HG2 VAL 64 2.901 1.475 9.064 480 H SER 65 H SER 65 2.635 6.123 7.079 481 HA SER 65 HA SER 65 4.204 7.390 9.187 482 1HB SER 65 1HB SER 65 5.618 7.638 6.619 483 2HB SER 65 2HB SER 65 6.129 7.570 8.311 484 HG SER 65 HG SER 65 5.520 5.262 8.133 485 HA PRO 66 HA PRO 66 1.043 9.998 7.034 486 1HB PRO 66 1HB PRO 66 0.056 11.098 9.426 487 2HB PRO 66 2HB PRO 66 -0.611 9.686 8.557 488 1HG PRO 66 1HG PRO 66 1.335 9.709 10.879 489 2HG PRO 66 2HG PRO 66 -0.109 8.667 10.643 490 1HD PRO 66 1HD PRO 66 2.305 7.651 10.060 491 2HD PRO 66 2HD PRO 66 1.006 7.406 8.931 492 H GLY 67 H GLY 67 1.380 12.003 6.394 493 1HA GLY 67 1HA GLY 67 2.166 14.219 6.354 494 2HA GLY 67 2HA GLY 67 3.012 13.948 7.901 495 H LEU 68 H LEU 68 4.258 11.435 6.751 496 HA LEU 68 HA LEU 68 6.500 12.677 5.236 497 1HB LEU 68 1HB LEU 68 6.943 11.286 7.212 498 2HB LEU 68 2HB LEU 68 6.084 9.940 6.479 499 HG LEU 68 HG LEU 68 7.783 9.795 4.688 500 1HD1 LEU 68 1HD1 LEU 68 9.944 11.017 4.991 501 2HD1 LEU 68 2HD1 LEU 68 9.184 12.009 6.253 502 3HD1 LEU 68 3HD1 LEU 68 8.607 12.098 4.568 503 1HD2 LEU 68 1HD2 LEU 68 7.975 8.453 6.726 504 2HD2 LEU 68 2HD2 LEU 68 8.842 9.779 7.539 505 3HD2 LEU 68 3HD2 LEU 68 9.583 8.939 6.161 506 H TYR 69 H TYR 69 3.910 10.287 4.871 507 HA TYR 69 HA TYR 69 4.884 9.306 2.331 508 1HB TYR 69 1HB TYR 69 2.631 8.649 4.249 509 2HB TYR 69 2HB TYR 69 2.629 8.025 2.630 510 HD1 TYR 69 HD1 TYR 69 5.944 8.350 4.225 511 HD2 TYR 69 HD2 TYR 69 2.591 5.756 3.449 512 HE1 TYR 69 HE1 TYR 69 7.310 6.371 4.756 513 HE2 TYR 69 HE2 TYR 69 4.009 3.811 3.661 514 HH TYR 69 HH TYR 69 7.384 4.147 4.851 515 H ARG 70 H ARG 70 4.717 10.496 0.604 516 HA ARG 70 HA ARG 70 2.562 12.124 -0.253 517 1HB ARG 70 1HB ARG 70 5.190 11.832 -0.845 518 2HB ARG 70 2HB ARG 70 4.556 10.916 -2.189 519 1HG ARG 70 1HG ARG 70 4.105 13.822 -1.482 520 2HG ARG 70 2HG ARG 70 5.151 13.117 -2.690 521 1HD ARG 70 1HD ARG 70 3.281 12.326 -4.021 522 2HD ARG 70 2HD ARG 70 2.156 12.958 -2.809 523 HE ARG 70 HE ARG 70 3.883 14.522 -4.670 524 1HH1 ARG 70 1HH1 ARG 70 1.336 14.593 -2.255 525 2HH1 ARG 70 2HH1 ARG 70 0.915 16.253 -2.561 526 1HH2 ARG 70 1HH2 ARG 70 3.349 16.681 -5.035 527 2HH2 ARG 70 2HH2 ARG 70 2.074 17.431 -4.129 528 H VAL 71 H VAL 71 1.485 9.664 0.253 529 HA VAL 71 HA VAL 71 1.446 7.830 -1.862 530 HB VAL 71 HB VAL 71 -0.928 7.873 -0.029 531 1HG1 VAL 71 1HG1 VAL 71 -1.084 6.214 -1.849 532 2HG1 VAL 71 2HG1 VAL 71 0.532 5.596 -1.442 533 3HG1 VAL 71 3HG1 VAL 71 -0.819 5.409 -0.306 534 1HG2 VAL 71 1HG2 VAL 71 1.869 6.773 0.453 535 2HG2 VAL 71 2HG2 VAL 71 1.063 8.095 1.316 536 3HG2 VAL 71 3HG2 VAL 71 0.456 6.441 1.484 537 H SER 72 H SER 72 0.593 7.490 -3.655 538 HA SER 72 HA SER 72 -1.980 8.767 -4.454 539 1HB SER 72 1HB SER 72 0.588 8.751 -6.053 540 2HB SER 72 2HB SER 72 -0.946 9.443 -6.522 541 HG SER 72 HG SER 72 0.582 10.310 -4.283 542 H ILE 73 H ILE 73 -3.060 7.665 -6.090 543 HA ILE 73 HA ILE 73 -2.363 4.796 -6.666 544 HB ILE 73 HB ILE 73 -4.824 6.483 -7.299 545 1HG1 ILE 73 1HG1 ILE 73 -4.512 4.172 -5.347 546 2HG1 ILE 73 2HG1 ILE 73 -4.515 5.866 -4.851 547 1HG2 ILE 73 1HG2 ILE 73 -4.345 3.496 -7.738 548 2HG2 ILE 73 2HG2 ILE 73 -5.848 4.371 -8.081 549 3HG2 ILE 73 3HG2 ILE 73 -4.415 4.725 -9.020 550 1HD1 ILE 73 1HD1 ILE 73 -6.691 4.942 -4.432 551 2HD1 ILE 73 2HD1 ILE 73 -6.823 6.118 -5.751 552 3HD1 ILE 73 3HD1 ILE 73 -6.848 4.372 -6.099 553 H THR 74 H THR 74 -1.198 4.303 -8.297 554 HA THR 74 HA THR 74 -1.185 6.104 -10.661 555 HB THR 74 HB THR 74 1.038 5.609 -10.010 556 HG1 THR 74 HG1 THR 74 0.521 5.497 -12.254 557 1HG2 THR 74 1HG2 THR 74 0.358 2.644 -10.164 558 2HG2 THR 74 2HG2 THR 74 0.780 3.552 -8.687 559 3HG2 THR 74 3HG2 THR 74 1.977 3.338 -9.972 560 H SER 75 H SER 75 -2.436 5.644 -12.262 561 HA SER 75 HA SER 75 -3.023 2.842 -13.026 562 1HB SER 75 1HB SER 75 -5.091 5.055 -12.714 563 2HB SER 75 2HB SER 75 -5.381 3.536 -13.565 564 HG SER 75 HG SER 75 -4.292 3.323 -10.991 565 H GLU 76 H GLU 76 -3.839 2.741 -15.314 566 HA GLU 76 HA GLU 76 -2.355 4.607 -16.988 567 1HB GLU 76 1HB GLU 76 -2.648 2.042 -17.267 568 2HB GLU 76 2HB GLU 76 -4.217 2.432 -17.978 569 1HG GLU 76 1HG GLU 76 -3.108 3.786 -19.724 570 2HG GLU 76 2HG GLU 76 -1.563 3.664 -18.873 571 H VAL 77 H VAL 77 -3.175 6.435 -17.380 572 HA VAL 77 HA VAL 77 -6.023 6.904 -18.070 573 HB VAL 77 HB VAL 77 -6.033 9.003 -16.823 574 1HG1 VAL 77 1HG1 VAL 77 -5.098 6.812 -14.912 575 2HG1 VAL 77 2HG1 VAL 77 -6.159 8.183 -14.559 576 3HG1 VAL 77 3HG1 VAL 77 -6.726 6.895 -15.632 577 1HG2 VAL 77 1HG2 VAL 77 -4.249 9.570 -15.187 578 2HG2 VAL 77 2HG2 VAL 77 -3.226 8.294 -15.871 579 3HG2 VAL 77 3HG2 VAL 77 -3.721 9.696 -16.861 Start of MODEL 14 1 1H ASN 1 1HT ASN 1 -12.183 -14.496 -6.782 2 HA ASN 1 HA ASN 1 -13.384 -12.654 -7.235 3 1HB ASN 1 1HB ASN 1 -15.245 -13.841 -5.909 4 2HB ASN 1 2HB ASN 1 -14.836 -12.763 -4.568 5 1HD2 ASN 1 1HD2 ASN 1 -15.210 -12.298 -8.166 6 2HD2 ASN 1 2HD2 ASN 1 -16.355 -10.981 -7.967 7 H ASP 2 H ASP 2 -10.877 -12.747 -5.911 8 HA ASP 2 HA ASP 2 -10.389 -10.450 -4.297 9 1HB ASP 2 1HB ASP 2 -7.994 -10.960 -5.133 10 2HB ASP 2 2HB ASP 2 -8.809 -12.108 -4.090 11 H SER 3 H SER 3 -9.242 -8.612 -4.824 12 HA SER 3 HA SER 3 -9.436 -7.555 -7.588 13 1HB SER 3 1HB SER 3 -11.123 -6.587 -5.782 14 2HB SER 3 2HB SER 3 -9.700 -5.868 -5.070 15 HG SER 3 HG SER 3 -11.042 -5.316 -7.443 16 H THR 4 H THR 4 -8.059 -5.267 -7.286 17 HA THR 4 HA THR 4 -5.555 -5.543 -5.882 18 HB THR 4 HB THR 4 -5.679 -6.448 -8.754 19 HG1 THR 4 HG1 THR 4 -5.511 -7.710 -6.719 20 1HG2 THR 4 1HG2 THR 4 -3.177 -5.325 -7.408 21 2HG2 THR 4 2HG2 THR 4 -3.950 -4.676 -8.882 22 3HG2 THR 4 3HG2 THR 4 -3.211 -6.282 -8.900 23 H ALA 5 H ALA 5 -4.340 -3.750 -5.952 24 HA ALA 5 HA ALA 5 -4.777 -1.675 -7.942 25 1HB ALA 5 1HB ALA 5 -5.124 0.111 -6.179 26 2HB ALA 5 2HB ALA 5 -6.492 -1.024 -6.369 27 3HB ALA 5 3HB ALA 5 -5.370 -1.198 -5.002 28 H THR 6 H THR 6 -3.154 -0.003 -7.858 29 HA THR 6 HA THR 6 -0.615 -0.835 -6.529 30 HB THR 6 HB THR 6 -0.887 0.571 -9.190 31 HG1 THR 6 HG1 THR 6 -0.436 -1.411 -10.073 32 1HG2 THR 6 1HG2 THR 6 1.457 -0.719 -7.741 33 2HG2 THR 6 2HG2 THR 6 1.235 1.007 -8.094 34 3HG2 THR 6 3HG2 THR 6 1.506 -0.128 -9.426 35 H PHE 7 H PHE 7 0.521 0.652 -5.538 36 HA PHE 7 HA PHE 7 -0.400 3.479 -5.558 37 1HB PHE 7 1HB PHE 7 0.227 2.042 -2.979 38 2HB PHE 7 2HB PHE 7 -0.522 3.618 -3.238 39 HD1 PHE 7 HD1 PHE 7 -1.280 -0.118 -3.549 40 HD2 PHE 7 HD2 PHE 7 -2.836 3.922 -3.553 41 HE1 PHE 7 HE1 PHE 7 -3.533 -0.982 -3.572 42 HE2 PHE 7 HE2 PHE 7 -5.129 3.007 -3.553 43 HZ PHE 7 HZ PHE 7 -5.493 0.562 -3.531 44 H ILE 8 H ILE 8 1.077 5.072 -4.895 45 HA ILE 8 HA ILE 8 3.900 4.232 -4.562 46 HB ILE 8 HB ILE 8 3.339 4.538 -6.948 47 1HG1 ILE 8 1HG1 ILE 8 5.256 6.750 -6.160 48 2HG1 ILE 8 2HG1 ILE 8 5.566 5.085 -5.683 49 1HG2 ILE 8 1HG2 ILE 8 2.964 6.728 -7.951 50 2HG2 ILE 8 2HG2 ILE 8 1.657 6.349 -6.818 51 3HG2 ILE 8 3HG2 ILE 8 2.932 7.493 -6.354 52 1HD1 ILE 8 1HD1 ILE 8 6.723 5.578 -7.770 53 2HD1 ILE 8 2HD1 ILE 8 5.517 4.294 -7.967 54 3HD1 ILE 8 3HD1 ILE 8 5.172 5.942 -8.562 55 H ILE 9 H ILE 9 5.133 5.411 -3.305 56 HA ILE 9 HA ILE 9 3.837 7.666 -1.879 57 HB ILE 9 HB ILE 9 5.917 5.726 -0.785 58 1HG1 ILE 9 1HG1 ILE 9 4.116 4.644 0.522 59 2HG1 ILE 9 2HG1 ILE 9 2.916 5.335 -0.499 60 1HG2 ILE 9 1HG2 ILE 9 5.644 7.923 0.336 61 2HG2 ILE 9 2HG2 ILE 9 3.908 7.639 0.503 62 3HG2 ILE 9 3HG2 ILE 9 5.084 6.608 1.356 63 1HD1 ILE 9 1HD1 ILE 9 5.178 3.409 -1.200 64 2HD1 ILE 9 2HD1 ILE 9 3.527 2.926 -0.809 65 3HD1 ILE 9 3HD1 ILE 9 3.821 3.819 -2.302 66 H ASP 10 H ASP 10 4.729 9.503 -2.511 67 HA ASP 10 HA ASP 10 7.679 9.820 -2.726 68 1HB ASP 10 1HB ASP 10 5.228 11.337 -3.376 69 2HB ASP 10 2HB ASP 10 6.531 12.327 -2.917 70 H GLY 11 H GLY 11 8.325 9.298 -0.673 71 1HA GLY 11 1HA GLY 11 8.404 11.057 1.628 72 2HA GLY 11 2HA GLY 11 6.917 10.185 1.699 73 H MET 12 H MET 12 8.198 7.700 0.449 74 HA MET 12 HA MET 12 8.705 6.681 3.111 75 1HB MET 12 1HB MET 12 8.092 4.639 2.315 76 2HB MET 12 2HB MET 12 7.272 5.651 1.249 77 1HG MET 12 1HG MET 12 9.059 5.298 -0.463 78 2HG MET 12 2HG MET 12 9.854 4.194 0.655 79 1HE MET 12 1HE MET 12 8.528 1.013 -0.636 80 2HE MET 12 2HE MET 12 9.853 2.159 -0.881 81 3HE MET 12 3HE MET 12 9.367 1.699 0.770 82 H HIS 13 H HIS 13 10.441 5.905 4.067 83 HA HIS 13 HA HIS 13 13.124 6.445 3.249 84 1HB HIS 13 1HB HIS 13 11.938 4.620 5.334 85 2HB HIS 13 2HB HIS 13 13.654 4.996 5.251 86 HD1 HIS 13 HD1 HIS 13 14.500 7.187 6.383 87 HD2 HIS 13 HD2 HIS 13 10.324 6.890 6.009 88 HE1 HIS 13 HE1 HIS 13 13.514 9.088 7.760 89 H CYS 14 H CYS 14 11.668 4.779 1.328 90 HA CYS 14 HA CYS 14 11.885 2.966 -0.057 91 1HB CYS 14 1HB CYS 14 14.764 3.652 0.555 92 2HB CYS 14 2HB CYS 14 14.239 2.588 -0.782 93 HG CYS 14 HG CYS 14 13.163 5.695 -0.228 94 H LYS 15 H LYS 15 14.708 1.504 1.112 95 HA LYS 15 HA LYS 15 13.280 -0.954 1.185 96 1HB LYS 15 1HB LYS 15 16.204 -0.400 1.790 97 2HB LYS 15 2HB LYS 15 15.457 -1.977 1.426 98 1HG LYS 15 1HG LYS 15 14.496 -0.848 -0.683 99 2HG LYS 15 2HG LYS 15 15.628 0.472 -0.391 100 1HD LYS 15 1HD LYS 15 17.517 -0.915 -0.820 101 2HD LYS 15 2HD LYS 15 16.538 -2.393 -0.712 102 1HE LYS 15 1HE LYS 15 17.034 -1.780 -3.076 103 2HE LYS 15 2HE LYS 15 15.303 -1.873 -2.698 104 1HZ LYS 15 1HZ LYS 15 15.075 0.414 -2.913 105 2HZ LYS 15 2HZ LYS 15 16.162 0.167 -4.054 106 3HZ LYS 15 3HZ LYS 15 16.687 0.751 -2.637 107 H SER 16 H SER 16 13.844 1.102 3.928 108 HA SER 16 HA SER 16 13.072 -1.200 5.735 109 1HB SER 16 1HB SER 16 13.044 0.556 7.493 110 2HB SER 16 2HB SER 16 14.649 0.339 6.755 111 HG SER 16 HG SER 16 14.196 2.547 6.906 112 H CYS 17 H CYS 17 11.750 1.911 4.417 113 HA CYS 17 HA CYS 17 9.177 1.667 5.583 114 1HB CYS 17 1HB CYS 17 10.519 3.217 3.416 115 2HB CYS 17 2HB CYS 17 8.802 3.061 3.317 116 HG CYS 17 HG CYS 17 10.238 3.718 6.206 117 H VAL 18 H VAL 18 10.355 0.314 2.472 118 HA VAL 18 HA VAL 18 8.187 -0.918 1.436 119 HB VAL 18 HB VAL 18 11.017 -1.963 1.931 120 1HG1 VAL 18 1HG1 VAL 18 10.211 -4.079 1.785 121 2HG1 VAL 18 2HG1 VAL 18 8.820 -3.647 0.792 122 3HG1 VAL 18 3HG1 VAL 18 10.421 -3.741 0.065 123 1HG2 VAL 18 1HG2 VAL 18 9.759 -1.235 -0.734 124 2HG2 VAL 18 2HG2 VAL 18 10.733 -0.167 0.238 125 3HG2 VAL 18 3HG2 VAL 18 11.448 -1.639 -0.388 126 H SER 19 H SER 19 10.065 -2.308 4.161 127 HA SER 19 HA SER 19 8.454 -4.692 4.382 128 1HB SER 19 1HB SER 19 10.881 -4.255 5.128 129 2HB SER 19 2HB SER 19 10.250 -3.253 6.429 130 HG SER 19 HG SER 19 9.651 -6.033 6.018 131 H ASN 20 H ASN 20 8.348 -1.532 6.112 132 HA ASN 20 HA ASN 20 6.188 -2.195 7.888 133 1HB ASN 20 1HB ASN 20 6.751 0.421 6.488 134 2HB ASN 20 2HB ASN 20 5.714 0.239 7.845 135 1HD2 ASN 20 1HD2 ASN 20 8.370 1.603 7.195 136 2HD2 ASN 20 2HD2 ASN 20 9.376 1.209 8.574 137 H ILE 21 H ILE 21 6.218 -1.081 4.465 138 HA ILE 21 HA ILE 21 3.337 -0.629 4.451 139 HB ILE 21 HB ILE 21 4.881 -1.129 1.913 140 1HG1 ILE 21 1HG1 ILE 21 5.597 1.050 3.823 141 2HG1 ILE 21 2HG1 ILE 21 6.414 0.329 2.468 142 1HG2 ILE 21 1HG2 ILE 21 2.581 0.717 2.658 143 2HG2 ILE 21 2HG2 ILE 21 3.234 0.467 1.015 144 3HG2 ILE 21 3HG2 ILE 21 2.443 -0.854 1.853 145 1HD1 ILE 21 1HD1 ILE 21 4.342 2.443 2.053 146 2HD1 ILE 21 2HD1 ILE 21 6.106 2.636 2.020 147 3HD1 ILE 21 3HD1 ILE 21 5.313 1.618 0.815 148 H GLU 22 H GLU 22 5.398 -3.340 3.340 149 HA GLU 22 HA GLU 22 3.342 -5.108 2.549 150 1HB GLU 22 1HB GLU 22 6.078 -5.578 3.811 151 2HB GLU 22 2HB GLU 22 5.069 -6.850 3.169 152 1HG GLU 22 1HG GLU 22 5.048 -5.172 1.017 153 2HG GLU 22 2HG GLU 22 6.575 -4.706 1.726 154 H SER 23 H SER 23 4.809 -4.702 5.845 155 HA SER 23 HA SER 23 3.022 -6.594 7.031 156 1HB SER 23 1HB SER 23 5.231 -5.883 7.956 157 2HB SER 23 2HB SER 23 4.544 -4.288 8.319 158 HG SER 23 HG SER 23 2.914 -5.579 9.580 159 H THR 24 H THR 24 2.715 -3.037 6.929 160 HA THR 24 HA THR 24 0.473 -2.943 8.735 161 HB THR 24 HB THR 24 1.635 -0.879 6.788 162 HG1 THR 24 HG1 THR 24 2.502 -0.147 8.704 163 1HG2 THR 24 1HG2 THR 24 -0.489 -0.516 8.953 164 2HG2 THR 24 2HG2 THR 24 -0.718 -0.262 7.210 165 3HG2 THR 24 3HG2 THR 24 0.366 0.798 8.115 166 H LEU 25 H LEU 25 0.771 -3.061 5.203 167 HA LEU 25 HA LEU 25 -2.124 -2.924 4.811 168 1HB LEU 25 1HB LEU 25 0.222 -3.637 3.040 169 2HB LEU 25 2HB LEU 25 -1.416 -3.733 2.470 170 HG LEU 25 HG LEU 25 0.122 -1.594 2.036 171 1HD1 LEU 25 1HD1 LEU 25 -2.052 -1.984 1.074 172 2HD1 LEU 25 2HD1 LEU 25 -1.951 -0.311 1.649 173 3HD1 LEU 25 3HD1 LEU 25 -2.862 -1.510 2.586 174 1HD2 LEU 25 1HD2 LEU 25 -1.292 -0.774 4.618 175 2HD2 LEU 25 2HD2 LEU 25 -0.532 0.324 3.489 176 3HD2 LEU 25 3HD2 LEU 25 0.469 -0.840 4.344 177 H SER 26 H SER 26 0.303 -5.679 4.880 178 HA SER 26 HA SER 26 -1.780 -7.548 4.116 179 1HB SER 26 1HB SER 26 0.603 -7.948 3.686 180 2HB SER 26 2HB SER 26 0.928 -8.052 5.403 181 HG SER 26 HG SER 26 -0.725 -9.761 5.388 182 H ALA 27 H ALA 27 -2.072 -5.835 6.715 183 HA ALA 27 HA ALA 27 -2.850 -8.014 8.615 184 1HB ALA 27 1HB ALA 27 -2.753 -6.232 10.328 185 2HB ALA 27 2HB ALA 27 -1.193 -6.370 9.492 186 3HB ALA 27 3HB ALA 27 -2.298 -5.040 9.092 187 H LEU 28 H LEU 28 -4.101 -5.999 6.167 188 HA LEU 28 HA LEU 28 -6.397 -5.044 7.627 189 1HB LEU 28 1HB LEU 28 -5.797 -5.096 4.644 190 2HB LEU 28 2HB LEU 28 -7.126 -4.224 5.399 191 HG LEU 28 HG LEU 28 -4.229 -3.655 6.153 192 1HD1 LEU 28 1HD1 LEU 28 -4.613 -3.354 3.650 193 2HD1 LEU 28 2HD1 LEU 28 -4.114 -1.919 4.546 194 3HD1 LEU 28 3HD1 LEU 28 -5.805 -2.097 4.076 195 1HD2 LEU 28 1HD2 LEU 28 -6.777 -2.009 6.324 196 2HD2 LEU 28 2HD2 LEU 28 -5.136 -1.487 6.809 197 3HD2 LEU 28 3HD2 LEU 28 -5.946 -2.797 7.688 198 H GLN 29 H GLN 29 -8.244 -6.164 7.990 199 HA GLN 29 HA GLN 29 -8.347 -8.919 7.492 200 1HB GLN 29 1HB GLN 29 -10.542 -6.959 8.272 201 2HB GLN 29 2HB GLN 29 -10.722 -8.717 8.343 202 1HG GLN 29 1HG GLN 29 -8.978 -8.937 9.998 203 2HG GLN 29 2HG GLN 29 -8.496 -7.244 9.832 204 1HE2 GLN 29 1HE2 GLN 29 -11.185 -9.347 11.001 205 2HE2 GLN 29 2HE2 GLN 29 -11.828 -8.061 12.029 206 H TYR 30 H TYR 30 -9.308 -6.489 5.219 207 HA TYR 30 HA TYR 30 -10.793 -8.494 3.615 208 1HB TYR 30 1HB TYR 30 -11.072 -6.561 2.032 209 2HB TYR 30 2HB TYR 30 -11.885 -6.475 3.575 210 HD1 TYR 30 HD1 TYR 30 -8.225 -5.466 3.003 211 HD2 TYR 30 HD2 TYR 30 -12.308 -4.207 3.687 212 HE1 TYR 30 HE1 TYR 30 -7.475 -3.188 3.233 213 HE2 TYR 30 HE2 TYR 30 -11.514 -1.872 3.983 214 HH TYR 30 HH TYR 30 -8.055 -0.996 3.712 215 H VAL 31 H VAL 31 -7.437 -7.772 3.956 216 HA VAL 31 HA VAL 31 -7.070 -7.740 1.028 217 HB VAL 31 HB VAL 31 -5.817 -6.022 2.326 218 1HG1 VAL 31 1HG1 VAL 31 -3.676 -6.577 3.087 219 2HG1 VAL 31 2HG1 VAL 31 -4.971 -7.097 4.166 220 3HG1 VAL 31 3HG1 VAL 31 -4.088 -8.310 3.170 221 1HG2 VAL 31 1HG2 VAL 31 -5.157 -6.764 -0.027 222 2HG2 VAL 31 2HG2 VAL 31 -3.773 -6.250 0.947 223 3HG2 VAL 31 3HG2 VAL 31 -4.074 -7.964 0.722 224 H SER 32 H SER 32 -6.084 -9.359 -0.158 225 HA SER 32 HA SER 32 -5.986 -11.994 1.261 226 1HB SER 32 1HB SER 32 -7.638 -11.415 -0.652 227 2HB SER 32 2HB SER 32 -6.239 -11.586 -1.725 228 HG SER 32 HG SER 32 -6.000 -13.713 -0.958 229 H SER 33 H SER 33 -3.945 -9.717 -0.341 230 HA SER 33 HA SER 33 -1.476 -11.038 0.089 231 1HB SER 33 1HB SER 33 -2.781 -11.477 -2.558 232 2HB SER 33 2HB SER 33 -1.058 -11.250 -2.535 233 HG SER 33 HG SER 33 -2.504 -13.091 -0.921 234 H ILE 34 H ILE 34 0.256 -9.993 -1.309 235 HA ILE 34 HA ILE 34 0.052 -7.338 -2.312 236 HB ILE 34 HB ILE 34 -0.497 -6.750 0.015 237 1HG1 ILE 34 1HG1 ILE 34 2.369 -5.870 -0.498 238 2HG1 ILE 34 2HG1 ILE 34 0.982 -5.255 -1.405 239 1HG2 ILE 34 1HG2 ILE 34 2.155 -8.032 0.813 240 2HG2 ILE 34 2HG2 ILE 34 1.091 -7.107 1.875 241 3HG2 ILE 34 3HG2 ILE 34 0.538 -8.644 1.223 242 1HD1 ILE 34 1HD1 ILE 34 1.552 -3.702 0.362 243 2HD1 ILE 34 2HD1 ILE 34 -0.033 -4.435 0.698 244 3HD1 ILE 34 3HD1 ILE 34 1.403 -4.966 1.589 245 H VAL 35 H VAL 35 2.002 -6.609 -3.051 246 HA VAL 35 HA VAL 35 4.552 -7.871 -2.257 247 HB VAL 35 HB VAL 35 3.571 -7.668 -5.139 248 1HG1 VAL 35 1HG1 VAL 35 5.895 -8.274 -5.875 249 2HG1 VAL 35 2HG1 VAL 35 5.780 -6.642 -5.235 250 3HG1 VAL 35 3HG1 VAL 35 6.473 -7.936 -4.229 251 1HG2 VAL 35 1HG2 VAL 35 3.222 -9.856 -4.027 252 2HG2 VAL 35 2HG2 VAL 35 4.568 -10.044 -5.160 253 3HG2 VAL 35 3HG2 VAL 35 4.901 -9.811 -3.418 254 H VAL 36 H VAL 36 5.884 -6.324 -1.775 255 HA VAL 36 HA VAL 36 5.457 -3.598 -2.997 256 HB VAL 36 HB VAL 36 7.035 -4.469 -0.595 257 1HG1 VAL 36 1HG1 VAL 36 8.568 -2.961 -1.665 258 2HG1 VAL 36 2HG1 VAL 36 7.260 -1.815 -2.059 259 3HG1 VAL 36 3HG1 VAL 36 7.703 -2.091 -0.377 260 1HG2 VAL 36 1HG2 VAL 36 4.529 -3.736 -0.541 261 2HG2 VAL 36 2HG2 VAL 36 5.646 -2.795 0.490 262 3HG2 VAL 36 3HG2 VAL 36 5.111 -2.149 -1.063 263 H SER 37 H SER 37 6.814 -2.533 -4.217 264 HA SER 37 HA SER 37 8.766 -4.044 -5.848 265 1HB SER 37 1HB SER 37 7.728 -1.182 -5.841 266 2HB SER 37 2HB SER 37 9.014 -1.740 -6.902 267 HG SER 37 HG SER 37 6.450 -2.970 -6.695 268 H LEU 38 H LEU 38 10.243 -4.561 -4.162 269 HA LEU 38 HA LEU 38 11.287 -3.084 -2.150 270 1HB LEU 38 1HB LEU 38 11.619 -5.585 -3.022 271 2HB LEU 38 2HB LEU 38 13.159 -4.969 -3.581 272 HG LEU 38 HG LEU 38 12.166 -4.699 -0.707 273 1HD1 LEU 38 1HD1 LEU 38 14.011 -6.830 -1.823 274 2HD1 LEU 38 2HD1 LEU 38 12.314 -7.066 -1.329 275 3HD1 LEU 38 3HD1 LEU 38 13.520 -6.612 -0.122 276 1HD2 LEU 38 1HD2 LEU 38 14.677 -4.573 -0.212 277 2HD2 LEU 38 2HD2 LEU 38 13.906 -3.155 -0.878 278 3HD2 LEU 38 3HD2 LEU 38 14.884 -4.213 -1.941 279 H GLU 39 H GLU 39 12.645 -2.875 -5.492 280 HA GLU 39 HA GLU 39 14.747 -1.219 -4.702 281 1HB GLU 39 1HB GLU 39 14.304 -2.318 -6.966 282 2HB GLU 39 2HB GLU 39 13.242 -0.975 -7.310 283 1HG GLU 39 1HG GLU 39 16.236 -1.046 -6.964 284 2HG GLU 39 2HG GLU 39 15.227 -0.445 -8.277 285 H ASN 40 H ASN 40 11.513 -0.560 -5.800 286 HA ASN 40 HA ASN 40 11.754 2.312 -5.703 287 1HB ASN 40 1HB ASN 40 10.028 0.295 -7.091 288 2HB ASN 40 2HB ASN 40 9.322 1.884 -6.835 289 1HD2 ASN 40 1HD2 ASN 40 12.057 0.187 -8.283 290 2HD2 ASN 40 2HD2 ASN 40 12.747 1.574 -9.057 291 H ARG 41 H ARG 41 9.445 3.236 -5.483 292 HA ARG 41 HA ARG 41 8.947 3.152 -2.579 293 1HB ARG 41 1HB ARG 41 8.619 5.509 -4.488 294 2HB ARG 41 2HB ARG 41 8.476 5.522 -2.752 295 1HG ARG 41 1HG ARG 41 10.608 6.237 -2.811 296 2HG ARG 41 2HG ARG 41 10.912 4.507 -2.760 297 1HD ARG 41 1HD ARG 41 10.814 4.831 -5.460 298 2HD ARG 41 2HD ARG 41 11.181 6.487 -4.984 299 HE ARG 41 HE ARG 41 13.070 5.199 -3.586 300 1HH1 ARG 41 1HH1 ARG 41 12.359 4.538 -7.074 301 2HH1 ARG 41 2HH1 ARG 41 13.744 3.459 -7.110 302 1HH2 ARG 41 1HH2 ARG 41 14.731 3.671 -3.946 303 2HH2 ARG 41 2HH2 ARG 41 14.940 3.025 -5.553 304 H SER 42 H SER 42 7.576 1.269 -4.364 305 HA SER 42 HA SER 42 4.782 2.186 -4.054 306 1HB SER 42 1HB SER 42 4.406 1.213 -6.407 307 2HB SER 42 2HB SER 42 5.152 2.794 -6.276 308 HG SER 42 HG SER 42 6.148 1.137 -7.753 309 H ALA 43 H ALA 43 3.184 0.531 -4.484 310 HA ALA 43 HA ALA 43 3.980 -2.264 -3.716 311 1HB ALA 43 1HB ALA 43 3.490 -0.788 -1.681 312 2HB ALA 43 2HB ALA 43 1.866 -0.517 -2.332 313 3HB ALA 43 3HB ALA 43 2.377 -2.158 -1.870 314 H ILE 44 H ILE 44 2.741 -3.816 -4.529 315 HA ILE 44 HA ILE 44 0.228 -3.126 -6.025 316 HB ILE 44 HB ILE 44 2.156 -5.460 -6.382 317 1HG1 ILE 44 1HG1 ILE 44 1.395 -3.212 -8.316 318 2HG1 ILE 44 2HG1 ILE 44 2.866 -3.199 -7.348 319 1HG2 ILE 44 1HG2 ILE 44 -0.215 -6.158 -6.662 320 2HG2 ILE 44 2HG2 ILE 44 -0.478 -4.824 -7.808 321 3HG2 ILE 44 3HG2 ILE 44 0.620 -6.166 -8.207 322 1HD1 ILE 44 1HD1 ILE 44 3.427 -3.951 -9.556 323 2HD1 ILE 44 2HD1 ILE 44 3.589 -5.330 -8.451 324 3HD1 ILE 44 3HD1 ILE 44 2.178 -5.205 -9.532 325 H VAL 45 H VAL 45 -1.449 -3.540 -4.777 326 HA VAL 45 HA VAL 45 -1.200 -5.424 -2.438 327 HB VAL 45 HB VAL 45 -3.027 -3.051 -2.738 328 1HG1 VAL 45 1HG1 VAL 45 -2.199 -4.798 -0.359 329 2HG1 VAL 45 2HG1 VAL 45 -3.237 -3.369 -0.240 330 3HG1 VAL 45 3HG1 VAL 45 -3.796 -4.781 -1.135 331 1HG2 VAL 45 1HG2 VAL 45 -0.381 -3.146 -1.243 332 2HG2 VAL 45 2HG2 VAL 45 -0.729 -2.179 -2.682 333 3HG2 VAL 45 3HG2 VAL 45 -1.568 -1.825 -1.177 334 H VAL 46 H VAL 46 -2.774 -7.067 -2.326 335 HA VAL 46 HA VAL 46 -4.724 -7.218 -4.598 336 HB VAL 46 HB VAL 46 -3.122 -9.418 -3.251 337 1HG1 VAL 46 1HG1 VAL 46 -3.861 -10.916 -4.957 338 2HG1 VAL 46 2HG1 VAL 46 -5.282 -10.230 -4.165 339 3HG1 VAL 46 3HG1 VAL 46 -4.799 -9.630 -5.769 340 1HG2 VAL 46 1HG2 VAL 46 -1.849 -9.625 -5.362 341 2HG2 VAL 46 2HG2 VAL 46 -2.598 -8.124 -5.940 342 3HG2 VAL 46 3HG2 VAL 46 -1.546 -8.113 -4.513 343 H TYR 47 H TYR 47 -6.656 -6.713 -3.586 344 HA TYR 47 HA TYR 47 -7.156 -7.842 -0.865 345 1HB TYR 47 1HB TYR 47 -8.312 -5.865 -0.240 346 2HB TYR 47 2HB TYR 47 -6.749 -5.394 -0.868 347 HD1 TYR 47 HD1 TYR 47 -10.326 -4.977 -1.189 348 HD2 TYR 47 HD2 TYR 47 -6.601 -4.550 -3.314 349 HE1 TYR 47 HE1 TYR 47 -11.398 -3.382 -2.765 350 HE2 TYR 47 HE2 TYR 47 -7.670 -2.929 -4.863 351 HH TYR 47 HH TYR 47 -11.066 -1.857 -4.434 352 H ASN 48 H ASN 48 -9.294 -8.498 -0.277 353 HA ASN 48 HA ASN 48 -10.832 -9.409 -2.634 354 1HB ASN 48 1HB ASN 48 -9.988 -10.996 -0.814 355 2HB ASN 48 2HB ASN 48 -11.146 -10.236 0.283 356 1HD2 ASN 48 1HD2 ASN 48 -10.711 -12.431 -2.426 357 2HD2 ASN 48 2HD2 ASN 48 -12.401 -12.883 -2.562 358 H ALA 49 H ALA 49 -12.614 -8.388 -3.259 359 HA ALA 49 HA ALA 49 -14.588 -7.263 -1.496 360 1HB ALA 49 1HB ALA 49 -12.589 -5.413 -2.862 361 2HB ALA 49 2HB ALA 49 -14.154 -4.864 -2.219 362 3HB ALA 49 3HB ALA 49 -12.923 -5.505 -1.115 363 H SER 50 H SER 50 -16.454 -7.413 -2.637 364 HA SER 50 HA SER 50 -16.582 -7.479 -5.540 365 1HB SER 50 1HB SER 50 -18.335 -8.558 -4.295 366 2HB SER 50 2HB SER 50 -18.656 -7.100 -3.347 367 HG SER 50 HG SER 50 -19.108 -7.329 -6.146 368 H SER 51 H SER 51 -16.966 -4.847 -3.122 369 HA SER 51 HA SER 51 -16.049 -2.943 -5.080 370 1HB SER 51 1HB SER 51 -18.457 -3.075 -5.709 371 2HB SER 51 2HB SER 51 -18.866 -2.457 -4.093 372 HG SER 51 HG SER 51 -18.647 -0.769 -5.628 373 H VAL 52 H VAL 52 -14.458 -2.397 -3.681 374 HA VAL 52 HA VAL 52 -15.173 -0.577 -1.481 375 HB VAL 52 HB VAL 52 -13.060 -2.765 -1.192 376 1HG1 VAL 52 1HG1 VAL 52 -12.149 -0.700 -0.268 377 2HG1 VAL 52 2HG1 VAL 52 -13.656 -0.383 0.619 378 3HG1 VAL 52 3HG1 VAL 52 -12.618 -1.756 1.059 379 1HG2 VAL 52 1HG2 VAL 52 -15.546 -2.187 0.486 380 2HG2 VAL 52 2HG2 VAL 52 -15.327 -3.575 -0.601 381 3HG2 VAL 52 3HG2 VAL 52 -14.320 -3.424 0.840 382 H THR 53 H THR 53 -13.898 1.234 -1.600 383 HA THR 53 HA THR 53 -12.603 1.713 -4.080 384 HB THR 53 HB THR 53 -13.721 3.508 -3.016 385 HG1 THR 53 HG1 THR 53 -12.131 5.007 -3.262 386 1HG2 THR 53 1HG2 THR 53 -11.641 3.396 -0.792 387 2HG2 THR 53 2HG2 THR 53 -13.347 2.936 -0.624 388 3HG2 THR 53 3HG2 THR 53 -12.921 4.614 -0.990 389 HA PRO 54 HA PRO 54 -8.362 0.454 -3.120 390 1HB PRO 54 1HB PRO 54 -7.002 1.956 -4.963 391 2HB PRO 54 2HB PRO 54 -7.930 0.480 -5.376 392 1HG PRO 54 1HG PRO 54 -8.860 3.359 -5.580 393 2HG PRO 54 2HG PRO 54 -8.934 2.081 -6.839 394 1HD PRO 54 1HD PRO 54 -11.071 2.619 -5.294 395 2HD PRO 54 2HD PRO 54 -10.656 0.922 -5.680 396 H GLU 55 H GLU 55 -9.740 3.700 -2.895 397 HA GLU 55 HA GLU 55 -7.462 5.012 -1.796 398 1HB GLU 55 1HB GLU 55 -9.322 6.285 -2.546 399 2HB GLU 55 2HB GLU 55 -10.422 5.545 -1.366 400 1HG GLU 55 1HG GLU 55 -9.446 6.630 0.471 401 2HG GLU 55 2HG GLU 55 -7.914 6.878 -0.383 402 H SER 56 H SER 56 -9.608 2.537 -0.228 403 HA SER 56 HA SER 56 -8.940 3.308 2.448 404 1HB SER 56 1HB SER 56 -9.535 0.525 1.485 405 2HB SER 56 2HB SER 56 -9.950 1.274 3.024 406 HG SER 56 HG SER 56 -11.710 1.025 1.453 407 H LEU 57 H LEU 57 -7.363 1.223 0.029 408 HA LEU 57 HA LEU 57 -5.320 0.210 1.906 409 1HB LEU 57 1HB LEU 57 -5.323 0.354 -1.125 410 2HB LEU 57 2HB LEU 57 -4.171 -0.518 -0.126 411 HG LEU 57 HG LEU 57 -7.133 -1.164 -0.484 412 1HD1 LEU 57 1HD1 LEU 57 -5.743 -3.306 -1.432 413 2HD1 LEU 57 2HD1 LEU 57 -4.551 -2.029 -1.729 414 3HD1 LEU 57 3HD1 LEU 57 -6.151 -1.888 -2.448 415 1HD2 LEU 57 1HD2 LEU 57 -5.032 -2.761 1.084 416 2HD2 LEU 57 2HD2 LEU 57 -6.691 -3.267 0.722 417 3HD2 LEU 57 3HD2 LEU 57 -6.406 -1.867 1.770 418 H ARG 58 H ARG 58 -5.576 2.787 -0.594 419 HA ARG 58 HA ARG 58 -2.995 3.838 -0.354 420 1HB ARG 58 1HB ARG 58 -4.929 4.384 -1.970 421 2HB ARG 58 2HB ARG 58 -5.500 5.511 -0.816 422 1HG ARG 58 1HG ARG 58 -2.636 5.831 -1.294 423 2HG ARG 58 2HG ARG 58 -3.524 5.923 -2.814 424 1HD ARG 58 1HD ARG 58 -4.267 7.487 -0.365 425 2HD ARG 58 2HD ARG 58 -3.104 8.123 -1.536 426 HE ARG 58 HE ARG 58 -5.076 7.649 -3.219 427 1HH1 ARG 58 1HH1 ARG 58 -5.401 9.042 0.042 428 2HH1 ARG 58 2HH1 ARG 58 -7.068 9.535 -0.316 429 1HH2 ARG 58 1HH2 ARG 58 -7.074 8.629 -3.641 430 2HH2 ARG 58 2HH2 ARG 58 -7.980 9.295 -2.323 431 H LYS 59 H LYS 59 -5.902 4.709 1.589 432 HA LYS 59 HA LYS 59 -4.666 6.349 3.524 433 1HB LYS 59 1HB LYS 59 -7.229 4.891 3.172 434 2HB LYS 59 2HB LYS 59 -6.726 5.044 4.840 435 1HG LYS 59 1HG LYS 59 -8.108 6.940 4.164 436 2HG LYS 59 2HG LYS 59 -6.476 7.433 4.655 437 1HD LYS 59 1HD LYS 59 -5.879 7.506 2.178 438 2HD LYS 59 2HD LYS 59 -7.553 7.252 1.825 439 1HE LYS 59 1HE LYS 59 -6.585 9.482 3.668 440 2HE LYS 59 2HE LYS 59 -6.489 9.672 1.933 441 1HZ LYS 59 1HZ LYS 59 -8.836 9.405 1.737 442 2HZ LYS 59 2HZ LYS 59 -8.549 10.594 2.822 443 3HZ LYS 59 3HZ LYS 59 -9.019 9.098 3.352 444 H ALA 60 H ALA 60 -5.041 2.699 3.607 445 HA ALA 60 HA ALA 60 -3.785 2.479 6.183 446 1HB ALA 60 1HB ALA 60 -3.459 0.153 5.585 447 2HB ALA 60 2HB ALA 60 -5.070 0.672 5.052 448 3HB ALA 60 3HB ALA 60 -3.749 0.497 3.869 449 H ILE 61 H ILE 61 -2.356 2.805 2.925 450 HA ILE 61 HA ILE 61 0.350 2.611 3.910 451 HB ILE 61 HB ILE 61 -0.566 4.099 1.405 452 1HG1 ILE 61 1HG1 ILE 61 0.186 1.175 1.685 453 2HG1 ILE 61 2HG1 ILE 61 -1.345 1.843 1.164 454 1HG2 ILE 61 1HG2 ILE 61 2.131 3.006 2.275 455 2HG2 ILE 61 2HG2 ILE 61 1.792 3.652 0.654 456 3HG2 ILE 61 3HG2 ILE 61 1.668 4.703 2.010 457 1HD1 ILE 61 1HD1 ILE 61 -0.102 2.892 -0.804 458 2HD1 ILE 61 2HD1 ILE 61 1.241 1.809 -0.388 459 3HD1 ILE 61 3HD1 ILE 61 -0.334 1.122 -0.810 460 H GLU 62 H GLU 62 -1.582 5.574 3.161 461 HA GLU 62 HA GLU 62 0.197 7.517 4.036 462 1HB GLU 62 1HB GLU 62 -2.803 7.355 4.530 463 2HB GLU 62 2HB GLU 62 -1.798 8.781 4.777 464 1HG GLU 62 1HG GLU 62 -1.455 9.138 2.473 465 2HG GLU 62 2HG GLU 62 -2.041 7.534 2.043 466 H ALA 63 H ALA 63 -1.696 5.271 6.043 467 HA ALA 63 HA ALA 63 -1.231 6.761 8.504 468 1HB ALA 63 1HB ALA 63 -2.502 4.034 7.981 469 2HB ALA 63 2HB ALA 63 -2.605 4.953 9.497 470 3HB ALA 63 3HB ALA 63 -3.370 5.590 8.028 471 H VAL 64 H VAL 64 0.872 4.983 6.870 472 HA VAL 64 HA VAL 64 2.056 3.600 9.225 473 HB VAL 64 HB VAL 64 1.790 2.534 6.793 474 1HG1 VAL 64 1HG1 VAL 64 3.135 4.219 5.687 475 2HG1 VAL 64 2HG1 VAL 64 4.581 3.526 6.445 476 3HG1 VAL 64 3HG1 VAL 64 3.555 2.510 5.394 477 1HG2 VAL 64 1HG2 VAL 64 4.386 2.299 8.419 478 2HG2 VAL 64 2HG2 VAL 64 2.862 1.541 8.931 479 3HG2 VAL 64 3HG2 VAL 64 3.640 1.014 7.422 480 H SER 65 H SER 65 2.706 6.311 7.017 481 HA SER 65 HA SER 65 4.467 7.344 9.085 482 1HB SER 65 1HB SER 65 5.755 7.581 6.422 483 2HB SER 65 2HB SER 65 6.368 7.543 8.070 484 HG SER 65 HG SER 65 5.657 5.218 7.959 485 HA PRO 66 HA PRO 66 1.452 10.148 6.938 486 1HB PRO 66 1HB PRO 66 0.242 11.121 9.267 487 2HB PRO 66 2HB PRO 66 -0.325 9.730 8.296 488 1HG PRO 66 1HG PRO 66 1.426 9.693 10.770 489 2HG PRO 66 2HG PRO 66 0.008 8.654 10.392 490 1HD PRO 66 1HD PRO 66 2.481 7.685 9.965 491 2HD PRO 66 2HD PRO 66 1.254 7.437 8.754 492 H GLY 67 H GLY 67 1.756 12.259 6.566 493 1HA GLY 67 1HA GLY 67 2.669 14.481 7.017 494 2HA GLY 67 2HA GLY 67 3.890 13.732 8.083 495 H LEU 68 H LEU 68 4.996 11.693 6.648 496 HA LEU 68 HA LEU 68 6.432 12.995 4.461 497 1HB LEU 68 1HB LEU 68 6.263 10.073 5.355 498 2HB LEU 68 2HB LEU 68 7.417 10.696 4.233 499 HG LEU 68 HG LEU 68 7.142 10.905 7.090 500 1HD1 LEU 68 1HD1 LEU 68 9.598 10.265 5.446 501 2HD1 LEU 68 2HD1 LEU 68 8.467 9.080 6.142 502 3HD1 LEU 68 3HD1 LEU 68 9.446 10.105 7.207 503 1HD2 LEU 68 1HD2 LEU 68 7.614 13.279 6.580 504 2HD2 LEU 68 2HD2 LEU 68 8.965 12.798 5.528 505 3HD2 LEU 68 3HD2 LEU 68 9.068 12.564 7.287 506 H TYR 69 H TYR 69 4.055 10.374 4.810 507 HA TYR 69 HA TYR 69 4.501 9.456 2.276 508 1HB TYR 69 1HB TYR 69 2.478 8.811 4.400 509 2HB TYR 69 2HB TYR 69 2.225 8.182 2.800 510 HD1 TYR 69 HD1 TYR 69 2.379 5.913 3.475 511 HD2 TYR 69 HD2 TYR 69 5.742 8.514 4.051 512 HE1 TYR 69 HE1 TYR 69 3.866 3.955 3.526 513 HE2 TYR 69 HE2 TYR 69 7.160 6.549 4.497 514 HH TYR 69 HH TYR 69 5.887 3.215 4.086 515 H ARG 70 H ARG 70 4.270 11.142 0.708 516 HA ARG 70 HA ARG 70 1.693 12.131 -0.196 517 1HB ARG 70 1HB ARG 70 4.040 13.009 -0.592 518 2HB ARG 70 2HB ARG 70 4.254 11.654 -1.628 519 1HG ARG 70 1HG ARG 70 3.116 14.257 -2.150 520 2HG ARG 70 2HG ARG 70 3.980 13.168 -3.129 521 1HD ARG 70 1HD ARG 70 1.435 11.945 -3.072 522 2HD ARG 70 2HD ARG 70 1.123 13.658 -2.987 523 HE ARG 70 HE ARG 70 1.877 13.864 -5.191 524 1HH1 ARG 70 1HH1 ARG 70 2.912 10.592 -4.160 525 2HH1 ARG 70 2HH1 ARG 70 4.204 10.637 -5.343 526 1HH2 ARG 70 1HH2 ARG 70 3.582 13.653 -6.695 527 2HH2 ARG 70 2HH2 ARG 70 4.552 12.205 -6.615 528 H VAL 71 H VAL 71 0.767 9.837 0.154 529 HA VAL 71 HA VAL 71 1.416 7.901 -1.916 530 HB VAL 71 HB VAL 71 -1.146 7.594 -0.382 531 1HG1 VAL 71 1HG1 VAL 71 -0.505 5.188 -0.607 532 2HG1 VAL 71 2HG1 VAL 71 -0.597 5.959 -2.188 533 3HG1 VAL 71 3HG1 VAL 71 0.976 5.658 -1.459 534 1HG2 VAL 71 1HG2 VAL 71 0.459 8.107 1.369 535 2HG2 VAL 71 2HG2 VAL 71 0.133 6.380 1.368 536 3HG2 VAL 71 3HG2 VAL 71 1.649 6.984 0.668 537 H SER 72 H SER 72 0.584 7.405 -3.753 538 HA SER 72 HA SER 72 -2.033 8.533 -4.634 539 1HB SER 72 1HB SER 72 0.701 8.920 -5.903 540 2HB SER 72 2HB SER 72 -0.793 9.011 -6.833 541 HG SER 72 HG SER 72 -0.558 10.431 -4.414 542 H ILE 73 H ILE 73 -2.626 7.451 -6.800 543 HA ILE 73 HA ILE 73 -1.998 4.524 -6.739 544 HB ILE 73 HB ILE 73 -4.362 6.114 -7.879 545 1HG1 ILE 73 1HG1 ILE 73 -4.215 4.127 -5.582 546 2HG1 ILE 73 2HG1 ILE 73 -4.403 5.867 -5.397 547 1HG2 ILE 73 1HG2 ILE 73 -3.793 4.147 -9.312 548 2HG2 ILE 73 2HG2 ILE 73 -3.992 3.087 -7.897 549 3HG2 ILE 73 3HG2 ILE 73 -5.362 4.000 -8.554 550 1HD1 ILE 73 1HD1 ILE 73 -6.604 5.721 -6.593 551 2HD1 ILE 73 2HD1 ILE 73 -6.451 3.946 -6.551 552 3HD1 ILE 73 3HD1 ILE 73 -6.539 4.858 -5.041 553 H THR 74 H THR 74 -0.916 3.652 -8.313 554 HA THR 74 HA THR 74 0.306 5.475 -10.228 555 HB THR 74 HB THR 74 1.034 2.548 -10.020 556 HG1 THR 74 HG1 THR 74 1.458 4.568 -8.095 557 1HG2 THR 74 1HG2 THR 74 3.291 3.518 -10.166 558 2HG2 THR 74 2HG2 THR 74 2.609 5.161 -10.041 559 3HG2 THR 74 3HG2 THR 74 2.281 4.162 -11.479 560 H SER 75 H SER 75 -2.173 5.368 -11.042 561 HA SER 75 HA SER 75 -2.249 4.285 -13.685 562 1HB SER 75 1HB SER 75 -3.887 2.567 -13.526 563 2HB SER 75 2HB SER 75 -2.408 2.104 -12.689 564 HG SER 75 HG SER 75 -4.753 3.184 -11.526 565 H GLU 76 H GLU 76 -2.675 6.472 -13.627 566 HA GLU 76 HA GLU 76 -5.363 6.912 -14.444 567 1HB GLU 76 1HB GLU 76 -5.459 7.605 -12.023 568 2HB GLU 76 2HB GLU 76 -4.321 8.908 -12.391 569 1HG GLU 76 1HG GLU 76 -5.894 9.839 -14.051 570 2HG GLU 76 2HG GLU 76 -6.958 8.444 -13.861 571 H VAL 77 H VAL 77 -3.348 6.315 -15.755 572 HA VAL 77 HA VAL 77 -1.911 8.747 -16.814 573 HB VAL 77 HB VAL 77 0.089 7.383 -17.114 574 1HG1 VAL 77 1HG1 VAL 77 0.775 7.131 -14.811 575 2HG1 VAL 77 2HG1 VAL 77 -0.271 8.555 -14.927 576 3HG1 VAL 77 3HG1 VAL 77 -0.899 7.038 -14.239 577 1HG2 VAL 77 1HG2 VAL 77 -1.372 5.098 -15.706 578 2HG2 VAL 77 2HG2 VAL 77 -0.958 5.129 -17.436 579 3HG2 VAL 77 3HG2 VAL 77 0.324 5.121 -16.220 Start of MODEL 15 1 1H ASN 1 1HT ASN 1 -14.165 -14.028 -6.575 2 HA ASN 1 HA ASN 1 -11.318 -14.276 -7.402 3 1HB ASN 1 1HB ASN 1 -13.517 -12.898 -8.858 4 2HB ASN 1 2HB ASN 1 -12.124 -11.873 -8.560 5 1HD2 ASN 1 1HD2 ASN 1 -9.858 -12.860 -9.117 6 2HD2 ASN 1 2HD2 ASN 1 -9.860 -13.844 -10.557 7 H ASP 2 H ASP 2 -9.987 -12.635 -6.993 8 HA ASP 2 HA ASP 2 -10.283 -11.003 -4.628 9 1HB ASP 2 1HB ASP 2 -7.897 -10.612 -5.082 10 2HB ASP 2 2HB ASP 2 -8.288 -12.322 -5.033 11 H SER 3 H SER 3 -9.306 -8.779 -4.801 12 HA SER 3 HA SER 3 -9.711 -7.348 -7.352 13 1HB SER 3 1HB SER 3 -11.653 -6.833 -5.875 14 2HB SER 3 2HB SER 3 -10.549 -6.240 -4.636 15 HG SER 3 HG SER 3 -11.618 -4.743 -6.235 16 H THR 4 H THR 4 -8.538 -5.093 -6.978 17 HA THR 4 HA THR 4 -6.186 -5.318 -5.320 18 HB THR 4 HB THR 4 -5.918 -6.852 -7.554 19 HG1 THR 4 HG1 THR 4 -4.673 -6.793 -5.766 20 1HG2 THR 4 1HG2 THR 4 -4.306 -5.926 -9.030 21 2HG2 THR 4 2HG2 THR 4 -4.236 -4.388 -8.166 22 3HG2 THR 4 3HG2 THR 4 -5.709 -4.830 -9.093 23 H ALA 5 H ALA 5 -4.621 -3.624 -5.661 24 HA ALA 5 HA ALA 5 -5.238 -1.432 -7.407 25 1HB ALA 5 1HB ALA 5 -6.806 -0.806 -5.660 26 2HB ALA 5 2HB ALA 5 -5.565 -1.024 -4.411 27 3HB ALA 5 3HB ALA 5 -5.422 0.311 -5.575 28 H THR 6 H THR 6 -3.619 0.289 -7.318 29 HA THR 6 HA THR 6 -0.978 -0.580 -6.253 30 HB THR 6 HB THR 6 -1.458 0.906 -8.834 31 HG1 THR 6 HG1 THR 6 -1.009 -1.046 -9.828 32 1HG2 THR 6 1HG2 THR 6 0.893 0.225 -9.298 33 2HG2 THR 6 2HG2 THR 6 0.982 -0.485 -7.663 34 3HG2 THR 6 3HG2 THR 6 0.751 1.262 -7.871 35 H PHE 7 H PHE 7 0.226 0.884 -5.323 36 HA PHE 7 HA PHE 7 -0.628 3.724 -5.217 37 1HB PHE 7 1HB PHE 7 0.137 2.167 -2.740 38 2HB PHE 7 2HB PHE 7 -0.522 3.788 -2.844 39 HD1 PHE 7 HD1 PHE 7 -1.474 0.128 -3.195 40 HD2 PHE 7 HD2 PHE 7 -2.899 4.234 -3.035 41 HE1 PHE 7 HE1 PHE 7 -3.743 -0.659 -3.144 42 HE2 PHE 7 HE2 PHE 7 -5.210 3.385 -2.999 43 HZ PHE 7 HZ PHE 7 -5.656 0.949 -3.068 44 H ILE 8 H ILE 8 1.048 5.214 -4.898 45 HA ILE 8 HA ILE 8 3.793 4.167 -4.545 46 HB ILE 8 HB ILE 8 3.212 4.476 -6.921 47 1HG1 ILE 8 1HG1 ILE 8 5.283 6.532 -6.027 48 2HG1 ILE 8 2HG1 ILE 8 5.489 4.797 -5.797 49 1HG2 ILE 8 1HG2 ILE 8 1.665 6.340 -6.850 50 2HG2 ILE 8 2HG2 ILE 8 2.971 7.445 -6.351 51 3HG2 ILE 8 3HG2 ILE 8 2.993 6.683 -7.950 52 1HD1 ILE 8 1HD1 ILE 8 5.332 4.360 -8.186 53 2HD1 ILE 8 2HD1 ILE 8 5.150 6.105 -8.513 54 3HD1 ILE 8 3HD1 ILE 8 6.656 5.479 -7.816 55 H ILE 9 H ILE 9 5.061 5.189 -3.296 56 HA ILE 9 HA ILE 9 3.862 7.389 -1.716 57 HB ILE 9 HB ILE 9 6.012 5.393 -0.932 58 1HG1 ILE 9 1HG1 ILE 9 4.441 4.301 0.525 59 2HG1 ILE 9 2HG1 ILE 9 3.104 5.258 -0.086 60 1HG2 ILE 9 1HG2 ILE 9 4.301 7.372 0.679 61 2HG2 ILE 9 2HG2 ILE 9 5.517 6.257 1.355 62 3HG2 ILE 9 3HG2 ILE 9 6.013 7.575 0.307 63 1HD1 ILE 9 1HD1 ILE 9 3.153 3.923 -2.101 64 2HD1 ILE 9 2HD1 ILE 9 4.754 3.244 -1.634 65 3HD1 ILE 9 3HD1 ILE 9 3.305 2.856 -0.698 66 H ASP 10 H ASP 10 4.604 9.205 -2.617 67 HA ASP 10 HA ASP 10 7.233 9.565 -3.682 68 1HB ASP 10 1HB ASP 10 4.710 11.016 -3.368 69 2HB ASP 10 2HB ASP 10 6.015 12.114 -3.175 70 H GLY 11 H GLY 11 6.706 9.107 -0.615 71 1HA GLY 11 1HA GLY 11 8.795 10.949 0.426 72 2HA GLY 11 2HA GLY 11 7.205 10.976 1.202 73 H MET 12 H MET 12 8.779 8.143 -0.179 74 HA MET 12 HA MET 12 8.503 6.743 2.410 75 1HB MET 12 1HB MET 12 7.955 5.925 -0.145 76 2HB MET 12 2HB MET 12 9.588 5.360 -0.035 77 1HG MET 12 1HG MET 12 8.420 4.556 2.338 78 2HG MET 12 2HG MET 12 7.077 4.471 1.289 79 1HE MET 12 1HE MET 12 6.557 2.602 -0.376 80 2HE MET 12 2HE MET 12 7.671 3.557 -1.366 81 3HE MET 12 3HE MET 12 7.830 1.773 -1.291 82 H HIS 13 H HIS 13 10.242 5.796 3.524 83 HA HIS 13 HA HIS 13 12.978 6.680 3.006 84 1HB HIS 13 1HB HIS 13 12.017 4.396 4.730 85 2HB HIS 13 2HB HIS 13 13.582 5.167 4.802 86 HD1 HIS 13 HD1 HIS 13 13.475 5.874 7.296 87 HD2 HIS 13 HD2 HIS 13 10.208 7.243 5.026 88 HE1 HIS 13 HE1 HIS 13 12.102 7.396 8.807 89 H CYS 14 H CYS 14 11.158 4.676 1.247 90 HA CYS 14 HA CYS 14 11.375 2.993 -0.214 91 1HB CYS 14 1HB CYS 14 14.244 3.935 -0.199 92 2HB CYS 14 2HB CYS 14 13.508 2.873 -1.431 93 HG CYS 14 HG CYS 14 12.536 5.926 -0.493 94 H LYS 15 H LYS 15 14.514 1.882 0.507 95 HA LYS 15 HA LYS 15 13.645 -0.757 0.515 96 1HB LYS 15 1HB LYS 15 16.228 0.579 1.202 97 2HB LYS 15 2HB LYS 15 16.032 -1.140 1.535 98 1HG LYS 15 1HG LYS 15 17.051 -0.724 -0.691 99 2HG LYS 15 2HG LYS 15 15.573 -1.675 -0.748 100 1HD LYS 15 1HD LYS 15 14.314 0.362 -1.466 101 2HD LYS 15 2HD LYS 15 15.824 1.271 -1.525 102 1HE LYS 15 1HE LYS 15 15.337 -1.304 -3.126 103 2HE LYS 15 2HE LYS 15 14.694 0.233 -3.646 104 1HZ LYS 15 1HZ LYS 15 17.580 -0.270 -3.327 105 2HZ LYS 15 2HZ LYS 15 16.890 1.175 -3.735 106 3HZ LYS 15 3HZ LYS 15 16.744 -0.099 -4.739 107 H SER 16 H SER 16 14.548 0.830 3.694 108 HA SER 16 HA SER 16 13.282 -1.450 5.063 109 1HB SER 16 1HB SER 16 13.934 1.253 6.265 110 2HB SER 16 2HB SER 16 13.749 -0.315 7.076 111 HG SER 16 HG SER 16 15.956 0.020 6.833 112 H CYS 17 H CYS 17 11.908 1.530 3.743 113 HA CYS 17 HA CYS 17 9.536 1.432 5.483 114 1HB CYS 17 1HB CYS 17 10.270 3.098 3.041 115 2HB CYS 17 2HB CYS 17 8.630 2.760 3.392 116 HG CYS 17 HG CYS 17 8.176 3.942 5.428 117 H VAL 18 H VAL 18 10.378 -0.069 2.297 118 HA VAL 18 HA VAL 18 7.925 -1.095 1.649 119 HB VAL 18 HB VAL 18 10.716 -2.220 1.481 120 1HG1 VAL 18 1HG1 VAL 18 9.678 -4.250 1.296 121 2HG1 VAL 18 2HG1 VAL 18 8.188 -3.569 0.665 122 3HG1 VAL 18 3HG1 VAL 18 9.595 -3.740 -0.397 123 1HG2 VAL 18 1HG2 VAL 18 8.959 -0.431 -0.160 124 2HG2 VAL 18 2HG2 VAL 18 10.705 -0.430 0.075 125 3HG2 VAL 18 3HG2 VAL 18 9.970 -1.560 -1.043 126 H SER 19 H SER 19 10.220 -2.707 3.906 127 HA SER 19 HA SER 19 8.652 -4.983 4.514 128 1HB SER 19 1HB SER 19 11.084 -4.344 5.181 129 2HB SER 19 2HB SER 19 10.406 -3.348 6.454 130 HG SER 19 HG SER 19 9.440 -5.295 7.320 131 H ASN 20 H ASN 20 8.559 -1.749 6.135 132 HA ASN 20 HA ASN 20 6.511 -2.383 8.032 133 1HB ASN 20 1HB ASN 20 7.040 0.230 6.620 134 2HB ASN 20 2HB ASN 20 6.144 0.072 8.075 135 1HD2 ASN 20 1HD2 ASN 20 8.667 1.511 7.338 136 2HD2 ASN 20 2HD2 ASN 20 9.889 0.921 8.445 137 H ILE 21 H ILE 21 6.310 -1.279 4.628 138 HA ILE 21 HA ILE 21 3.439 -0.720 4.811 139 HB ILE 21 HB ILE 21 4.807 -1.185 2.168 140 1HG1 ILE 21 1HG1 ILE 21 5.680 0.970 4.089 141 2HG1 ILE 21 2HG1 ILE 21 6.443 0.121 2.751 142 1HG2 ILE 21 1HG2 ILE 21 3.171 0.489 1.420 143 2HG2 ILE 21 2HG2 ILE 21 2.385 -0.815 2.281 144 3HG2 ILE 21 3HG2 ILE 21 2.646 0.734 3.108 145 1HD1 ILE 21 1HD1 ILE 21 5.335 1.360 1.037 146 2HD1 ILE 21 2HD1 ILE 21 4.505 2.353 2.251 147 3HD1 ILE 21 3HD1 ILE 21 6.270 2.400 2.114 148 H GLU 22 H GLU 22 5.394 -3.362 3.401 149 HA GLU 22 HA GLU 22 3.328 -5.108 2.623 150 1HB GLU 22 1HB GLU 22 6.137 -5.548 3.717 151 2HB GLU 22 2HB GLU 22 5.144 -6.855 3.132 152 1HG GLU 22 1HG GLU 22 4.933 -5.087 1.008 153 2HG GLU 22 2HG GLU 22 6.497 -4.666 1.621 154 H SER 23 H SER 23 4.921 -4.775 5.842 155 HA SER 23 HA SER 23 3.202 -6.683 7.101 156 1HB SER 23 1HB SER 23 4.740 -4.354 8.366 157 2HB SER 23 2HB SER 23 4.169 -5.808 9.206 158 HG SER 23 HG SER 23 6.197 -5.585 7.217 159 H THR 24 H THR 24 2.837 -3.140 6.962 160 HA THR 24 HA THR 24 0.670 -3.111 8.893 161 HB THR 24 HB THR 24 1.631 -0.911 6.976 162 HG1 THR 24 HG1 THR 24 3.198 -1.474 8.348 163 1HG2 THR 24 1HG2 THR 24 0.601 0.634 8.626 164 2HG2 THR 24 2HG2 THR 24 -0.105 -0.754 9.484 165 3HG2 THR 24 3HG2 THR 24 -0.617 -0.364 7.825 166 H LEU 25 H LEU 25 0.866 -3.087 5.364 167 HA LEU 25 HA LEU 25 -2.049 -2.946 5.106 168 1HB LEU 25 1HB LEU 25 0.108 -3.743 3.149 169 2HB LEU 25 2HB LEU 25 -1.612 -3.592 2.778 170 HG LEU 25 HG LEU 25 0.428 -1.422 3.320 171 1HD1 LEU 25 1HD1 LEU 25 -1.894 -1.814 1.398 172 2HD1 LEU 25 2HD1 LEU 25 -0.157 -2.065 1.020 173 3HD1 LEU 25 3HD1 LEU 25 -0.789 -0.457 1.364 174 1HD2 LEU 25 1HD2 LEU 25 -1.302 0.272 3.555 175 2HD2 LEU 25 2HD2 LEU 25 -1.377 -0.821 4.922 176 3HD2 LEU 25 3HD2 LEU 25 -2.555 -0.974 3.582 177 H SER 26 H SER 26 0.368 -5.729 5.050 178 HA SER 26 HA SER 26 -1.762 -7.533 4.305 179 1HB SER 26 1HB SER 26 0.603 -7.954 3.821 180 2HB SER 26 2HB SER 26 0.959 -8.124 5.524 181 HG SER 26 HG SER 26 -0.688 -9.821 5.492 182 H ALA 27 H ALA 27 -2.072 -5.906 6.903 183 HA ALA 27 HA ALA 27 -2.921 -8.136 8.719 184 1HB ALA 27 1HB ALA 27 -2.161 -5.238 9.344 185 2HB ALA 27 2HB ALA 27 -2.648 -6.470 10.531 186 3HB ALA 27 3HB ALA 27 -1.129 -6.654 9.625 187 H LEU 28 H LEU 28 -4.180 -5.932 6.434 188 HA LEU 28 HA LEU 28 -6.228 -4.788 8.100 189 1HB LEU 28 1HB LEU 28 -5.864 -4.861 5.079 190 2HB LEU 28 2HB LEU 28 -7.078 -3.909 5.924 191 HG LEU 28 HG LEU 28 -4.116 -3.565 6.530 192 1HD1 LEU 28 1HD1 LEU 28 -5.715 -1.930 4.528 193 2HD1 LEU 28 2HD1 LEU 28 -4.536 -3.192 4.073 194 3HD1 LEU 28 3HD1 LEU 28 -4.021 -1.760 4.976 195 1HD2 LEU 28 1HD2 LEU 28 -4.884 -1.332 7.241 196 2HD2 LEU 28 2HD2 LEU 28 -5.680 -2.618 8.165 197 3HD2 LEU 28 3HD2 LEU 28 -6.571 -1.802 6.862 198 H GLN 29 H GLN 29 -8.326 -5.295 8.348 199 HA GLN 29 HA GLN 29 -9.128 -8.024 7.985 200 1HB GLN 29 1HB GLN 29 -10.838 -5.696 8.959 201 2HB GLN 29 2HB GLN 29 -11.109 -7.414 9.211 202 1HG GLN 29 1HG GLN 29 -10.227 -6.936 11.234 203 2HG GLN 29 2HG GLN 29 -8.710 -7.293 10.413 204 1HE2 GLN 29 1HE2 GLN 29 -9.461 -5.396 12.773 205 2HE2 GLN 29 2HE2 GLN 29 -8.781 -3.865 12.222 206 H TYR 30 H TYR 30 -8.771 -7.611 5.591 207 HA TYR 30 HA TYR 30 -10.987 -8.016 3.957 208 1HB TYR 30 1HB TYR 30 -11.035 -5.838 2.687 209 2HB TYR 30 2HB TYR 30 -11.857 -5.877 4.220 210 HD1 TYR 30 HD1 TYR 30 -11.615 -4.056 5.630 211 HD2 TYR 30 HD2 TYR 30 -8.354 -4.926 2.927 212 HE1 TYR 30 HE1 TYR 30 -10.586 -1.871 6.164 213 HE2 TYR 30 HE2 TYR 30 -7.405 -2.741 3.410 214 HH TYR 30 HH TYR 30 -8.801 -0.447 5.745 215 H VAL 31 H VAL 31 -7.551 -7.228 4.271 216 HA VAL 31 HA VAL 31 -7.239 -7.435 1.337 217 HB VAL 31 HB VAL 31 -5.916 -5.706 2.593 218 1HG1 VAL 31 1HG1 VAL 31 -5.370 -6.917 4.460 219 2HG1 VAL 31 2HG1 VAL 31 -4.364 -8.074 3.505 220 3HG1 VAL 31 3HG1 VAL 31 -3.949 -6.342 3.542 221 1HG2 VAL 31 1HG2 VAL 31 -3.822 -6.064 1.323 222 2HG2 VAL 31 2HG2 VAL 31 -4.222 -7.751 1.051 223 3HG2 VAL 31 3HG2 VAL 31 -5.194 -6.462 0.284 224 H SER 32 H SER 32 -6.193 -9.148 0.301 225 HA SER 32 HA SER 32 -6.083 -11.697 1.891 226 1HB SER 32 1HB SER 32 -7.818 -11.306 0.035 227 2HB SER 32 2HB SER 32 -6.460 -11.424 -1.099 228 HG SER 32 HG SER 32 -7.331 -13.474 -0.784 229 H SER 33 H SER 33 -4.157 -9.494 -0.047 230 HA SER 33 HA SER 33 -1.654 -10.837 0.377 231 1HB SER 33 1HB SER 33 -3.154 -11.334 -2.155 232 2HB SER 33 2HB SER 33 -1.431 -11.173 -2.273 233 HG SER 33 HG SER 33 -2.748 -12.877 -0.408 234 H ILE 34 H ILE 34 0.009 -9.893 -1.182 235 HA ILE 34 HA ILE 34 -0.164 -7.204 -2.151 236 HB ILE 34 HB ILE 34 -0.585 -6.663 0.204 237 1HG1 ILE 34 1HG1 ILE 34 2.295 -5.881 -0.363 238 2HG1 ILE 34 2HG1 ILE 34 0.917 -5.204 -1.243 239 1HG2 ILE 34 1HG2 ILE 34 1.055 -7.132 1.998 240 2HG2 ILE 34 2HG2 ILE 34 0.410 -8.624 1.335 241 3HG2 ILE 34 3HG2 ILE 34 2.036 -8.077 0.873 242 1HD1 ILE 34 1HD1 ILE 34 1.560 -3.712 0.556 243 2HD1 ILE 34 2HD1 ILE 34 -0.049 -4.402 0.882 244 3HD1 ILE 34 3HD1 ILE 34 1.369 -4.998 1.756 245 H VAL 35 H VAL 35 1.742 -6.478 -2.975 246 HA VAL 35 HA VAL 35 4.319 -7.749 -2.336 247 HB VAL 35 HB VAL 35 3.195 -7.560 -5.164 248 1HG1 VAL 35 1HG1 VAL 35 6.145 -7.780 -4.411 249 2HG1 VAL 35 2HG1 VAL 35 5.484 -8.121 -6.025 250 3HG1 VAL 35 3HG1 VAL 35 5.383 -6.491 -5.372 251 1HG2 VAL 35 1HG2 VAL 35 4.226 -9.911 -5.244 252 2HG2 VAL 35 2HG2 VAL 35 4.644 -9.684 -3.523 253 3HG2 VAL 35 3HG2 VAL 35 2.937 -9.748 -4.045 254 H VAL 36 H VAL 36 5.691 -6.205 -1.937 255 HA VAL 36 HA VAL 36 5.254 -3.504 -3.231 256 HB VAL 36 HB VAL 36 6.843 -4.300 -0.811 257 1HG1 VAL 36 1HG1 VAL 36 7.291 -1.865 -0.563 258 2HG1 VAL 36 2HG1 VAL 36 8.174 -2.581 -1.937 259 3HG1 VAL 36 3HG1 VAL 36 6.727 -1.583 -2.207 260 1HG2 VAL 36 1HG2 VAL 36 4.314 -3.804 -0.625 261 2HG2 VAL 36 2HG2 VAL 36 5.386 -2.736 0.343 262 3HG2 VAL 36 3HG2 VAL 36 4.707 -2.179 -1.192 263 H SER 37 H SER 37 6.574 -2.561 -4.508 264 HA SER 37 HA SER 37 8.601 -4.111 -5.969 265 1HB SER 37 1HB SER 37 7.570 -1.255 -6.227 266 2HB SER 37 2HB SER 37 8.764 -1.998 -7.285 267 HG SER 37 HG SER 37 7.213 -3.233 -8.189 268 H LEU 38 H LEU 38 10.110 -4.339 -4.142 269 HA LEU 38 HA LEU 38 11.039 -2.441 -2.483 270 1HB LEU 38 1HB LEU 38 11.682 -4.883 -2.414 271 2HB LEU 38 2HB LEU 38 12.965 -4.495 -3.587 272 HG LEU 38 HG LEU 38 14.109 -3.039 -2.089 273 1HD1 LEU 38 1HD1 LEU 38 12.366 -1.843 -0.898 274 2HD1 LEU 38 2HD1 LEU 38 13.283 -2.747 0.312 275 3HD1 LEU 38 3HD1 LEU 38 11.749 -3.382 -0.233 276 1HD2 LEU 38 1HD2 LEU 38 13.140 -5.331 -0.387 277 2HD2 LEU 38 2HD2 LEU 38 14.617 -4.369 -0.168 278 3HD2 LEU 38 3HD2 LEU 38 14.461 -5.444 -1.605 279 H GLU 39 H GLU 39 12.467 -3.007 -5.636 280 HA GLU 39 HA GLU 39 14.685 -1.402 -5.508 281 1HB GLU 39 1HB GLU 39 13.949 -2.897 -7.409 282 2HB GLU 39 2HB GLU 39 12.765 -1.690 -7.862 283 1HG GLU 39 1HG GLU 39 14.589 -0.065 -8.252 284 2HG GLU 39 2HG GLU 39 15.792 -1.289 -7.796 285 H ASN 40 H ASN 40 11.385 -0.565 -6.025 286 HA ASN 40 HA ASN 40 11.725 2.332 -6.569 287 1HB ASN 40 1HB ASN 40 9.823 0.189 -7.498 288 2HB ASN 40 2HB ASN 40 9.282 1.870 -7.455 289 1HD2 ASN 40 1HD2 ASN 40 11.767 -0.307 -8.858 290 2HD2 ASN 40 2HD2 ASN 40 12.461 0.878 -9.872 291 H ARG 41 H ARG 41 9.276 3.197 -6.013 292 HA ARG 41 HA ARG 41 8.983 2.938 -3.062 293 1HB ARG 41 1HB ARG 41 8.294 5.317 -3.113 294 2HB ARG 41 2HB ARG 41 9.919 5.042 -3.665 295 1HG ARG 41 1HG ARG 41 8.115 4.914 -5.945 296 2HG ARG 41 2HG ARG 41 7.704 6.334 -5.003 297 1HD ARG 41 1HD ARG 41 10.620 5.750 -5.610 298 2HD ARG 41 2HD ARG 41 9.599 6.299 -6.894 299 HE ARG 41 HE ARG 41 10.687 7.872 -4.732 300 1HH1 ARG 41 1HH1 ARG 41 7.703 7.829 -6.681 301 2HH1 ARG 41 2HH1 ARG 41 7.469 9.551 -6.381 302 1HH2 ARG 41 1HH2 ARG 41 10.247 10.099 -4.515 303 2HH2 ARG 41 2HH2 ARG 41 8.783 10.705 -5.259 304 H SER 42 H SER 42 7.427 1.194 -4.975 305 HA SER 42 HA SER 42 4.683 2.145 -4.271 306 1HB SER 42 1HB SER 42 3.990 1.187 -6.518 307 2HB SER 42 2HB SER 42 4.969 2.639 -6.576 308 HG SER 42 HG SER 42 5.781 -0.058 -7.055 309 H ALA 43 H ALA 43 2.991 0.660 -4.417 310 HA ALA 43 HA ALA 43 3.668 -2.188 -3.707 311 1HB ALA 43 1HB ALA 43 1.639 -0.359 -2.298 312 2HB ALA 43 2HB ALA 43 2.150 -1.991 -1.812 313 3HB ALA 43 3HB ALA 43 3.275 -0.621 -1.684 314 H ILE 44 H ILE 44 2.327 -3.676 -4.515 315 HA ILE 44 HA ILE 44 -0.254 -2.854 -5.790 316 HB ILE 44 HB ILE 44 1.538 -5.213 -6.485 317 1HG1 ILE 44 1HG1 ILE 44 0.727 -2.817 -8.200 318 2HG1 ILE 44 2HG1 ILE 44 2.278 -2.933 -7.372 319 1HG2 ILE 44 1HG2 ILE 44 -0.875 -5.780 -6.579 320 2HG2 ILE 44 2HG2 ILE 44 -1.203 -4.347 -7.574 321 3HG2 ILE 44 3HG2 ILE 44 -0.223 -5.689 -8.205 322 1HD1 ILE 44 1HD1 ILE 44 2.591 -3.568 -9.666 323 2HD1 ILE 44 2HD1 ILE 44 2.790 -5.017 -8.659 324 3HD1 ILE 44 3HD1 ILE 44 1.292 -4.765 -9.592 325 H VAL 45 H VAL 45 -1.908 -3.518 -4.626 326 HA VAL 45 HA VAL 45 -1.453 -5.407 -2.329 327 HB VAL 45 HB VAL 45 -3.151 -2.893 -2.474 328 1HG1 VAL 45 1HG1 VAL 45 -3.924 -4.535 -0.773 329 2HG1 VAL 45 2HG1 VAL 45 -2.272 -4.686 -0.138 330 3HG1 VAL 45 3HG1 VAL 45 -3.166 -3.168 0.048 331 1HG2 VAL 45 1HG2 VAL 45 -0.408 -3.164 -1.206 332 2HG2 VAL 45 2HG2 VAL 45 -0.826 -2.175 -2.617 333 3HG2 VAL 45 3HG2 VAL 45 -1.507 -1.770 -1.054 334 H VAL 46 H VAL 46 -2.937 -7.045 -2.177 335 HA VAL 46 HA VAL 46 -5.134 -7.118 -4.206 336 HB VAL 46 HB VAL 46 -3.389 -9.290 -3.005 337 1HG1 VAL 46 1HG1 VAL 46 -5.619 -10.225 -3.391 338 2HG1 VAL 46 2HG1 VAL 46 -5.603 -9.580 -5.052 339 3HG1 VAL 46 3HG1 VAL 46 -4.448 -10.863 -4.543 340 1HG2 VAL 46 1HG2 VAL 46 -2.275 -7.901 -4.793 341 2HG2 VAL 46 2HG2 VAL 46 -2.421 -9.622 -5.160 342 3HG2 VAL 46 3HG2 VAL 46 -3.523 -8.473 -5.926 343 H TYR 47 H TYR 47 -7.113 -6.943 -3.275 344 HA TYR 47 HA TYR 47 -7.523 -7.937 -0.489 345 1HB TYR 47 1HB TYR 47 -8.751 -5.941 0.095 346 2HB TYR 47 2HB TYR 47 -7.143 -5.521 -0.429 347 HD1 TYR 47 HD1 TYR 47 -6.696 -4.467 -2.577 348 HD2 TYR 47 HD2 TYR 47 -10.730 -5.203 -1.262 349 HE1 TYR 47 HE1 TYR 47 -7.522 -2.839 -4.235 350 HE2 TYR 47 HE2 TYR 47 -11.585 -3.692 -3.062 351 HH TYR 47 HH TYR 47 -9.364 -2.176 -5.408 352 H ASN 48 H ASN 48 -9.883 -7.947 0.129 353 HA ASN 48 HA ASN 48 -11.147 -9.677 -1.939 354 1HB ASN 48 1HB ASN 48 -10.506 -10.643 0.214 355 2HB ASN 48 2HB ASN 48 -11.526 -9.477 1.075 356 1HD2 ASN 48 1HD2 ASN 48 -13.930 -9.574 0.621 357 2HD2 ASN 48 2HD2 ASN 48 -14.586 -11.164 0.205 358 H ALA 49 H ALA 49 -12.519 -8.591 -3.238 359 HA ALA 49 HA ALA 49 -15.033 -7.575 -2.208 360 1HB ALA 49 1HB ALA 49 -13.039 -5.680 -3.547 361 2HB ALA 49 2HB ALA 49 -14.739 -5.288 -3.211 362 3HB ALA 49 3HB ALA 49 -13.615 -5.559 -1.868 363 H SER 50 H SER 50 -16.603 -7.455 -3.934 364 HA SER 50 HA SER 50 -15.746 -8.634 -6.533 365 1HB SER 50 1HB SER 50 -18.564 -7.905 -5.651 366 2HB SER 50 2HB SER 50 -18.086 -8.936 -7.005 367 HG SER 50 HG SER 50 -17.251 -10.432 -5.386 368 H SER 51 H SER 51 -14.787 -5.980 -5.865 369 HA SER 51 HA SER 51 -15.669 -4.357 -7.994 370 1HB SER 51 1HB SER 51 -17.735 -4.174 -6.603 371 2HB SER 51 2HB SER 51 -16.763 -3.495 -5.289 372 HG SER 51 HG SER 51 -17.858 -1.943 -6.702 373 H VAL 52 H VAL 52 -15.097 -1.848 -6.939 374 HA VAL 52 HA VAL 52 -12.226 -2.088 -6.103 375 HB VAL 52 HB VAL 52 -11.896 0.146 -7.187 376 1HG1 VAL 52 1HG1 VAL 52 -11.614 -0.802 -9.431 377 2HG1 VAL 52 2HG1 VAL 52 -11.140 -1.977 -8.193 378 3HG1 VAL 52 3HG1 VAL 52 -12.699 -2.149 -9.028 379 1HG2 VAL 52 1HG2 VAL 52 -14.231 0.923 -7.441 380 2HG2 VAL 52 2HG2 VAL 52 -13.407 0.846 -8.997 381 3HG2 VAL 52 3HG2 VAL 52 -14.569 -0.417 -8.558 382 H THR 53 H THR 53 -11.598 -1.192 -4.295 383 HA THR 53 HA THR 53 -12.811 1.277 -3.216 384 HB THR 53 HB THR 53 -12.633 -1.165 -1.407 385 HG1 THR 53 HG1 THR 53 -14.664 -0.226 -3.056 386 1HG2 THR 53 1HG2 THR 53 -14.066 0.235 0.056 387 2HG2 THR 53 2HG2 THR 53 -13.976 1.570 -1.112 388 3HG2 THR 53 3HG2 THR 53 -12.515 1.029 -0.252 389 HA PRO 54 HA PRO 54 -8.234 0.620 -2.804 390 1HB PRO 54 1HB PRO 54 -7.227 2.541 -4.424 391 2HB PRO 54 2HB PRO 54 -8.026 1.086 -5.090 392 1HG PRO 54 1HG PRO 54 -9.268 3.822 -4.647 393 2HG PRO 54 2HG PRO 54 -9.276 2.832 -6.144 394 1HD PRO 54 1HD PRO 54 -11.352 2.778 -4.356 395 2HD PRO 54 2HD PRO 54 -10.833 1.326 -5.264 396 H GLU 55 H GLU 55 -10.029 3.645 -2.250 397 HA GLU 55 HA GLU 55 -7.866 5.238 -1.394 398 1HB GLU 55 1HB GLU 55 -10.575 5.555 -1.921 399 2HB GLU 55 2HB GLU 55 -10.518 5.890 -0.211 400 1HG GLU 55 1HG GLU 55 -8.644 7.205 -2.251 401 2HG GLU 55 2HG GLU 55 -10.262 7.817 -1.932 402 H SER 56 H SER 56 -9.596 2.774 0.412 403 HA SER 56 HA SER 56 -8.797 3.613 3.082 404 1HB SER 56 1HB SER 56 -9.368 1.154 3.534 405 2HB SER 56 2HB SER 56 -10.689 2.161 2.901 406 HG SER 56 HG SER 56 -10.313 0.028 1.820 407 H LEU 57 H LEU 57 -7.398 1.474 0.561 408 HA LEU 57 HA LEU 57 -5.264 0.492 2.283 409 1HB LEU 57 1HB LEU 57 -5.410 0.667 -0.731 410 2HB LEU 57 2HB LEU 57 -4.195 -0.216 0.175 411 HG LEU 57 HG LEU 57 -7.172 -0.887 -0.021 412 1HD1 LEU 57 1HD1 LEU 57 -6.219 -1.550 -2.055 413 2HD1 LEU 57 2HD1 LEU 57 -5.951 -3.014 -1.058 414 3HD1 LEU 57 3HD1 LEU 57 -4.639 -1.865 -1.323 415 1HD2 LEU 57 1HD2 LEU 57 -4.990 -2.548 1.324 416 2HD2 LEU 57 2HD2 LEU 57 -6.705 -2.966 1.138 417 3HD2 LEU 57 3HD2 LEU 57 -6.214 -1.587 2.170 418 H ARG 58 H ARG 58 -5.456 3.177 -0.139 419 HA ARG 58 HA ARG 58 -2.892 4.267 0.081 420 1HB ARG 58 1HB ARG 58 -4.564 5.118 -1.453 421 2HB ARG 58 2HB ARG 58 -5.656 5.492 -0.183 422 1HG ARG 58 1HG ARG 58 -3.361 6.972 0.470 423 2HG ARG 58 2HG ARG 58 -3.462 7.113 -1.278 424 1HD ARG 58 1HD ARG 58 -5.617 8.122 -1.179 425 2HD ARG 58 2HD ARG 58 -5.891 7.591 0.487 426 HE ARG 58 HE ARG 58 -3.972 9.133 1.134 427 1HH1 ARG 58 1HH1 ARG 58 -6.621 10.003 -0.949 428 2HH1 ARG 58 2HH1 ARG 58 -6.121 11.679 -1.081 429 1HH2 ARG 58 1HH2 ARG 58 -3.389 11.146 1.097 430 2HH2 ARG 58 2HH2 ARG 58 -4.308 12.389 0.258 431 H LYS 59 H LYS 59 -5.765 5.071 2.116 432 HA LYS 59 HA LYS 59 -4.505 6.588 4.068 433 1HB LYS 59 1HB LYS 59 -7.034 5.097 3.776 434 2HB LYS 59 2HB LYS 59 -6.475 5.155 5.434 435 1HG LYS 59 1HG LYS 59 -7.853 7.075 5.040 436 2HG LYS 59 2HG LYS 59 -6.177 7.623 5.253 437 1HD LYS 59 1HD LYS 59 -5.961 7.780 2.754 438 2HD LYS 59 2HD LYS 59 -7.619 7.228 2.618 439 1HE LYS 59 1HE LYS 59 -8.096 9.286 4.245 440 2HE LYS 59 2HE LYS 59 -6.513 9.845 3.661 441 1HZ LYS 59 1HZ LYS 59 -8.834 9.124 1.945 442 2HZ LYS 59 2HZ LYS 59 -7.463 9.626 1.361 443 3HZ LYS 59 3HZ LYS 59 -8.382 10.675 2.266 444 H ALA 60 H ALA 60 -4.681 2.980 4.032 445 HA ALA 60 HA ALA 60 -3.529 2.653 6.665 446 1HB ALA 60 1HB ALA 60 -4.972 0.976 5.591 447 2HB ALA 60 2HB ALA 60 -3.796 0.773 4.279 448 3HB ALA 60 3HB ALA 60 -3.370 0.292 5.941 449 H ILE 61 H ILE 61 -2.149 2.948 3.410 450 HA ILE 61 HA ILE 61 0.583 2.514 4.243 451 HB ILE 61 HB ILE 61 -0.469 4.097 1.846 452 1HG1 ILE 61 1HG1 ILE 61 0.424 1.218 2.010 453 2HG1 ILE 61 2HG1 ILE 61 -1.209 1.753 1.768 454 1HG2 ILE 61 1HG2 ILE 61 1.790 3.661 0.881 455 2HG2 ILE 61 2HG2 ILE 61 1.838 4.668 2.279 456 3HG2 ILE 61 3HG2 ILE 61 2.293 2.960 2.437 457 1HD1 ILE 61 1HD1 ILE 61 -0.533 1.130 -0.372 458 2HD1 ILE 61 2HD1 ILE 61 -0.492 2.902 -0.370 459 3HD1 ILE 61 3HD1 ILE 61 1.017 1.964 -0.247 460 H GLU 62 H GLU 62 -1.278 5.573 3.668 461 HA GLU 62 HA GLU 62 0.661 7.358 4.599 462 1HB GLU 62 1HB GLU 62 -2.371 7.431 4.901 463 2HB GLU 62 2HB GLU 62 -1.283 8.773 5.285 464 1HG GLU 62 1HG GLU 62 -0.485 8.892 3.011 465 2HG GLU 62 2HG GLU 62 -1.459 7.480 2.556 466 H ALA 63 H ALA 63 -1.337 5.131 6.533 467 HA ALA 63 HA ALA 63 -0.868 6.548 9.032 468 1HB ALA 63 1HB ALA 63 -2.171 4.685 9.998 469 2HB ALA 63 2HB ALA 63 -2.969 5.314 8.543 470 3HB ALA 63 3HB ALA 63 -2.047 3.791 8.470 471 H VAL 64 H VAL 64 1.253 4.875 7.334 472 HA VAL 64 HA VAL 64 2.571 3.513 9.637 473 HB VAL 64 HB VAL 64 2.126 2.416 7.224 474 1HG1 VAL 64 1HG1 VAL 64 3.489 4.074 6.052 475 2HG1 VAL 64 2HG1 VAL 64 4.933 3.298 6.730 476 3HG1 VAL 64 3HG1 VAL 64 3.802 2.351 5.725 477 1HG2 VAL 64 1HG2 VAL 64 3.263 1.382 9.298 478 2HG2 VAL 64 2HG2 VAL 64 4.014 0.867 7.768 479 3HG2 VAL 64 3HG2 VAL 64 4.782 2.136 8.759 480 H SER 65 H SER 65 2.969 6.153 7.293 481 HA SER 65 HA SER 65 4.858 7.299 9.186 482 1HB SER 65 1HB SER 65 5.983 7.651 6.509 483 2HB SER 65 2HB SER 65 6.681 7.362 8.107 484 HG SER 65 HG SER 65 5.965 5.146 7.860 485 HA PRO 66 HA PRO 66 1.463 9.877 7.398 486 1HB PRO 66 1HB PRO 66 0.530 10.889 9.838 487 2HB PRO 66 2HB PRO 66 -0.061 9.420 9.009 488 1HG PRO 66 1HG PRO 66 2.031 9.614 11.200 489 2HG PRO 66 2HG PRO 66 0.639 8.481 11.083 490 1HD PRO 66 1HD PRO 66 3.053 7.601 10.317 491 2HD PRO 66 2HD PRO 66 1.678 7.284 9.293 492 H GLY 67 H GLY 67 1.368 11.998 6.966 493 1HA GLY 67 1HA GLY 67 1.987 14.257 6.889 494 2HA GLY 67 2HA GLY 67 3.133 13.991 8.230 495 H LEU 68 H LEU 68 4.382 11.687 6.855 496 HA LEU 68 HA LEU 68 6.238 13.159 5.051 497 1HB LEU 68 1HB LEU 68 7.171 12.185 6.992 498 2HB LEU 68 2HB LEU 68 6.301 10.676 6.791 499 HG LEU 68 HG LEU 68 7.689 9.966 5.000 500 1HD1 LEU 68 1HD1 LEU 68 8.173 12.079 3.807 501 2HD1 LEU 68 2HD1 LEU 68 9.661 11.232 4.230 502 3HD1 LEU 68 3HD1 LEU 68 9.143 12.644 5.188 503 1HD2 LEU 68 1HD2 LEU 68 9.289 11.181 7.286 504 2HD2 LEU 68 2HD2 LEU 68 9.868 9.906 6.199 505 3HD2 LEU 68 3HD2 LEU 68 8.489 9.591 7.275 506 H TYR 69 H TYR 69 4.283 10.164 5.156 507 HA TYR 69 HA TYR 69 4.970 9.284 2.537 508 1HB TYR 69 1HB TYR 69 2.923 8.545 4.623 509 2HB TYR 69 2HB TYR 69 2.662 8.013 2.994 510 HD1 TYR 69 HD1 TYR 69 2.671 5.751 3.769 511 HD2 TYR 69 HD2 TYR 69 6.206 8.175 4.093 512 HE1 TYR 69 HE1 TYR 69 3.993 3.736 3.867 513 HE2 TYR 69 HE2 TYR 69 7.536 6.128 4.443 514 HH TYR 69 HH TYR 69 5.949 2.880 4.363 515 H ARG 70 H ARG 70 4.711 10.778 0.908 516 HA ARG 70 HA ARG 70 2.098 11.841 0.192 517 1HB ARG 70 1HB ARG 70 4.413 12.728 -0.343 518 2HB ARG 70 2HB ARG 70 4.634 11.423 -1.381 519 1HG ARG 70 1HG ARG 70 2.781 13.806 -1.611 520 2HG ARG 70 2HG ARG 70 4.084 13.380 -2.672 521 1HD ARG 70 1HD ARG 70 2.747 11.583 -3.697 522 2HD ARG 70 2HD ARG 70 1.461 11.887 -2.535 523 HE ARG 70 HE ARG 70 1.137 14.092 -3.499 524 1HH1 ARG 70 1HH1 ARG 70 3.056 11.949 -5.663 525 2HH1 ARG 70 2HH1 ARG 70 2.524 12.798 -7.052 526 1HH2 ARG 70 1HH2 ARG 70 0.625 15.170 -5.384 527 2HH2 ARG 70 2HH2 ARG 70 1.237 14.593 -6.906 528 H VAL 71 H VAL 71 0.904 9.810 0.408 529 HA VAL 71 HA VAL 71 1.487 7.636 -1.488 530 HB VAL 71 HB VAL 71 -0.992 7.838 0.231 531 1HG1 VAL 71 1HG1 VAL 71 -1.187 6.162 -1.589 532 2HG1 VAL 71 2HG1 VAL 71 0.403 5.491 -1.160 533 3HG1 VAL 71 3HG1 VAL 71 -0.966 5.351 -0.041 534 1HG2 VAL 71 1HG2 VAL 71 0.309 6.298 1.743 535 2HG2 VAL 71 2HG2 VAL 71 1.759 6.640 0.780 536 3HG2 VAL 71 3HG2 VAL 71 0.959 7.932 1.666 537 H SER 72 H SER 72 0.714 7.306 -3.442 538 HA SER 72 HA SER 72 -1.557 8.937 -4.502 539 1HB SER 72 1HB SER 72 0.716 8.385 -6.310 540 2HB SER 72 2HB SER 72 -0.185 9.868 -6.042 541 HG SER 72 HG SER 72 1.943 8.845 -4.439 542 H ILE 73 H ILE 73 -2.944 7.756 -5.910 543 HA ILE 73 HA ILE 73 -2.349 4.867 -6.406 544 HB ILE 73 HB ILE 73 -4.702 6.636 -7.200 545 1HG1 ILE 73 1HG1 ILE 73 -4.482 4.493 -5.051 546 2HG1 ILE 73 2HG1 ILE 73 -4.519 6.224 -4.734 547 1HG2 ILE 73 1HG2 ILE 73 -5.824 4.558 -7.888 548 2HG2 ILE 73 2HG2 ILE 73 -4.329 4.729 -8.786 549 3HG2 ILE 73 3HG2 ILE 73 -4.407 3.601 -7.415 550 1HD1 ILE 73 1HD1 ILE 73 -6.804 4.568 -5.857 551 2HD1 ILE 73 2HD1 ILE 73 -6.692 5.335 -4.268 552 3HD1 ILE 73 3HD1 ILE 73 -6.810 6.343 -5.724 553 H THR 74 H THR 74 -1.174 4.210 -8.002 554 HA THR 74 HA THR 74 -0.946 5.966 -10.396 555 HB THR 74 HB THR 74 1.141 5.836 -9.289 556 HG1 THR 74 HG1 THR 74 1.139 5.752 -11.566 557 1HG2 THR 74 1HG2 THR 74 1.102 2.816 -9.637 558 2HG2 THR 74 2HG2 THR 74 0.984 3.676 -8.076 559 3HG2 THR 74 3HG2 THR 74 2.455 3.797 -9.068 560 H SER 75 H SER 75 -2.062 5.381 -11.968 561 HA SER 75 HA SER 75 -1.773 2.731 -13.132 562 1HB SER 75 1HB SER 75 -3.833 2.476 -11.726 563 2HB SER 75 2HB SER 75 -4.580 3.798 -12.647 564 HG SER 75 HG SER 75 -5.130 1.787 -13.572 565 H GLU 76 H GLU 76 -2.483 2.787 -15.429 566 HA GLU 76 HA GLU 76 -1.439 5.196 -16.609 567 1HB GLU 76 1HB GLU 76 -0.893 2.825 -17.056 568 2HB GLU 76 2HB GLU 76 -2.407 2.648 -17.949 569 1HG GLU 76 1HG GLU 76 -1.630 4.188 -19.657 570 2HG GLU 76 2HG GLU 76 -0.298 4.746 -18.634 571 H VAL 77 H VAL 77 -3.654 6.029 -15.524 572 HA VAL 77 HA VAL 77 -5.865 6.125 -17.532 573 HB VAL 77 HB VAL 77 -7.249 7.101 -15.809 574 1HG1 VAL 77 1HG1 VAL 77 -7.364 5.225 -14.266 575 2HG1 VAL 77 2HG1 VAL 77 -7.005 4.632 -15.897 576 3HG1 VAL 77 3HG1 VAL 77 -5.715 4.723 -14.679 577 1HG2 VAL 77 1HG2 VAL 77 -5.614 8.494 -14.592 578 2HG2 VAL 77 2HG2 VAL 77 -6.482 7.413 -13.493 579 3HG2 VAL 77 3HG2 VAL 77 -4.819 7.032 -13.971 Start of MODEL 16 1 1H ASN 1 1HT ASN 1 -14.077 -12.494 -8.517 2 HA ASN 1 HA ASN 1 -11.579 -13.912 -7.782 3 1HB ASN 1 1HB ASN 1 -11.791 -13.436 -10.316 4 2HB ASN 1 2HB ASN 1 -11.731 -11.721 -9.902 5 1HD2 ASN 1 1HD2 ASN 1 -9.635 -11.033 -8.576 6 2HD2 ASN 1 2HD2 ASN 1 -8.193 -11.914 -9.063 7 H ASP 2 H ASP 2 -10.244 -12.609 -6.421 8 HA ASP 2 HA ASP 2 -11.301 -10.444 -4.944 9 1HB ASP 2 1HB ASP 2 -8.448 -11.355 -5.410 10 2HB ASP 2 2HB ASP 2 -8.988 -10.217 -4.168 11 H SER 3 H SER 3 -10.059 -8.344 -4.706 12 HA SER 3 HA SER 3 -9.899 -6.947 -7.337 13 1HB SER 3 1HB SER 3 -11.620 -6.129 -5.718 14 2HB SER 3 2HB SER 3 -10.323 -5.756 -4.576 15 HG SER 3 HG SER 3 -10.633 -3.892 -5.688 16 H THR 4 H THR 4 -8.411 -4.901 -6.967 17 HA THR 4 HA THR 4 -5.880 -5.334 -5.634 18 HB THR 4 HB THR 4 -6.182 -6.159 -8.532 19 HG1 THR 4 HG1 THR 4 -6.070 -7.491 -6.478 20 1HG2 THR 4 1HG2 THR 4 -3.561 -5.326 -7.193 21 2HG2 THR 4 2HG2 THR 4 -4.292 -4.589 -8.645 22 3HG2 THR 4 3HG2 THR 4 -3.698 -6.251 -8.702 23 H ALA 5 H ALA 5 -4.531 -3.638 -5.816 24 HA ALA 5 HA ALA 5 -4.899 -1.553 -7.781 25 1HB ALA 5 1HB ALA 5 -6.566 -0.735 -6.269 26 2HB ALA 5 2HB ALA 5 -5.533 -1.025 -4.858 27 3HB ALA 5 3HB ALA 5 -5.121 0.273 -5.999 28 H THR 6 H THR 6 -3.140 -0.017 -7.764 29 HA THR 6 HA THR 6 -0.748 -0.869 -6.192 30 HB THR 6 HB THR 6 -0.759 0.322 -8.957 31 HG1 THR 6 HG1 THR 6 -0.151 -1.749 -9.569 32 1HG2 THR 6 1HG2 THR 6 1.239 0.928 -7.689 33 2HG2 THR 6 2HG2 THR 6 1.661 -0.279 -8.913 34 3HG2 THR 6 3HG2 THR 6 1.484 -0.765 -7.205 35 H PHE 7 H PHE 7 0.288 0.589 -5.185 36 HA PHE 7 HA PHE 7 -0.573 3.435 -5.294 37 1HB PHE 7 1HB PHE 7 0.133 1.960 -2.750 38 2HB PHE 7 2HB PHE 7 -0.561 3.549 -2.927 39 HD1 PHE 7 HD1 PHE 7 -1.401 -0.117 -3.379 40 HD2 PHE 7 HD2 PHE 7 -2.949 3.919 -3.070 41 HE1 PHE 7 HE1 PHE 7 -3.669 -0.982 -3.374 42 HE2 PHE 7 HE2 PHE 7 -5.243 2.992 -3.033 43 HZ PHE 7 HZ PHE 7 -5.611 0.552 -3.153 44 H ILE 8 H ILE 8 1.023 4.984 -4.933 45 HA ILE 8 HA ILE 8 3.795 4.046 -4.429 46 HB ILE 8 HB ILE 8 3.249 4.552 -6.846 47 1HG1 ILE 8 1HG1 ILE 8 5.295 6.555 -5.829 48 2HG1 ILE 8 2HG1 ILE 8 5.505 4.826 -5.579 49 1HG2 ILE 8 1HG2 ILE 8 3.028 7.455 -5.943 50 2HG2 ILE 8 2HG2 ILE 8 3.028 6.862 -7.613 51 3HG2 ILE 8 3HG2 ILE 8 1.700 6.435 -6.530 52 1HD1 ILE 8 1HD1 ILE 8 6.693 5.530 -7.578 53 2HD1 ILE 8 2HD1 ILE 8 5.431 4.336 -7.922 54 3HD1 ILE 8 3HD1 ILE 8 5.163 6.059 -8.317 55 H ILE 9 H ILE 9 5.048 5.142 -3.150 56 HA ILE 9 HA ILE 9 3.812 7.291 -1.539 57 HB ILE 9 HB ILE 9 6.038 5.306 -0.813 58 1HG1 ILE 9 1HG1 ILE 9 4.202 4.300 0.696 59 2HG1 ILE 9 2HG1 ILE 9 3.044 4.926 -0.399 60 1HG2 ILE 9 1HG2 ILE 9 5.479 6.030 1.464 61 2HG2 ILE 9 2HG2 ILE 9 6.009 7.372 0.471 62 3HG2 ILE 9 3HG2 ILE 9 4.269 7.182 0.799 63 1HD1 ILE 9 1HD1 ILE 9 3.765 2.511 -0.570 64 2HD1 ILE 9 2HD1 ILE 9 4.056 3.368 -2.088 65 3HD1 ILE 9 3HD1 ILE 9 5.413 3.063 -0.934 66 H ASP 10 H ASP 10 4.560 9.084 -2.661 67 HA ASP 10 HA ASP 10 7.399 9.264 -3.225 68 1HB ASP 10 1HB ASP 10 4.941 10.533 -4.042 69 2HB ASP 10 2HB ASP 10 6.164 11.721 -3.688 70 H GLY 11 H GLY 11 8.143 8.838 -1.269 71 1HA GLY 11 1HA GLY 11 9.691 10.617 -0.008 72 2HA GLY 11 2HA GLY 11 8.184 10.964 0.825 73 H MET 12 H MET 12 8.639 7.530 0.045 74 HA MET 12 HA MET 12 8.699 7.035 2.885 75 1HB MET 12 1HB MET 12 8.206 4.836 2.410 76 2HB MET 12 2HB MET 12 7.594 5.610 1.025 77 1HG MET 12 1HG MET 12 10.213 4.212 1.133 78 2HG MET 12 2HG MET 12 8.741 3.537 0.506 79 1HE MET 12 1HE MET 12 11.011 3.957 -2.623 80 2HE MET 12 2HE MET 12 11.952 4.427 -1.212 81 3HE MET 12 3HE MET 12 10.827 3.023 -1.134 82 H HIS 13 H HIS 13 10.289 5.986 4.204 83 HA HIS 13 HA HIS 13 13.022 6.686 3.694 84 1HB HIS 13 1HB HIS 13 11.998 4.706 5.720 85 2HB HIS 13 2HB HIS 13 13.528 5.557 5.764 86 HD1 HIS 13 HD1 HIS 13 12.253 5.914 8.325 87 HD2 HIS 13 HD2 HIS 13 11.102 8.255 5.031 88 HE1 HIS 13 HE1 HIS 13 11.137 8.004 9.270 89 H CYS 14 H CYS 14 12.096 4.976 1.560 90 HA CYS 14 HA CYS 14 12.982 3.360 0.176 91 1HB CYS 14 1HB CYS 14 15.379 3.906 1.937 92 2HB CYS 14 2HB CYS 14 15.455 2.992 0.415 93 HG CYS 14 HG CYS 14 14.235 6.070 0.811 94 H LYS 15 H LYS 15 15.078 1.360 1.349 95 HA LYS 15 HA LYS 15 13.272 -0.806 1.185 96 1HB LYS 15 1HB LYS 15 16.162 -0.494 2.000 97 2HB LYS 15 2HB LYS 15 15.348 -2.040 2.214 98 1HG LYS 15 1HG LYS 15 16.543 -1.963 0.082 99 2HG LYS 15 2HG LYS 15 14.809 -2.222 -0.107 100 1HD LYS 15 1HD LYS 15 14.466 0.044 -0.890 101 2HD LYS 15 2HD LYS 15 16.149 0.477 -0.504 102 1HE LYS 15 1HE LYS 15 16.944 -1.111 -2.241 103 2HE LYS 15 2HE LYS 15 15.284 -1.582 -2.608 104 1HZ LYS 15 1HZ LYS 15 16.296 1.217 -2.887 105 2HZ LYS 15 2HZ LYS 15 14.811 0.660 -3.347 106 3HZ LYS 15 3HZ LYS 15 16.139 0.159 -4.125 107 H SER 16 H SER 16 14.518 0.745 4.204 108 HA SER 16 HA SER 16 13.180 -1.097 5.959 109 1HB SER 16 1HB SER 16 13.669 1.848 6.536 110 2HB SER 16 2HB SER 16 13.593 0.491 7.678 111 HG SER 16 HG SER 16 15.766 1.019 7.311 112 H CYS 17 H CYS 17 11.988 2.066 4.531 113 HA CYS 17 HA CYS 17 9.410 1.853 5.824 114 1HB CYS 17 1HB CYS 17 10.737 3.526 3.806 115 2HB CYS 17 2HB CYS 17 9.080 3.299 3.469 116 HG CYS 17 HG CYS 17 8.011 4.189 5.622 117 H VAL 18 H VAL 18 10.562 0.859 2.619 118 HA VAL 18 HA VAL 18 8.271 -0.161 1.480 119 HB VAL 18 HB VAL 18 11.177 -0.918 1.330 120 1HG1 VAL 18 1HG1 VAL 18 9.062 -2.117 -0.412 121 2HG1 VAL 18 2HG1 VAL 18 10.813 -2.280 -0.613 122 3HG1 VAL 18 3HG1 VAL 18 10.023 -3.028 0.784 123 1HG2 VAL 18 1HG2 VAL 18 11.054 0.178 -0.825 124 2HG2 VAL 18 2HG2 VAL 18 9.282 0.280 -0.734 125 3HG2 VAL 18 3HG2 VAL 18 10.277 1.249 0.353 126 H SER 19 H SER 19 10.411 -2.028 3.765 127 HA SER 19 HA SER 19 8.712 -4.374 3.794 128 1HB SER 19 1HB SER 19 11.137 -4.207 4.530 129 2HB SER 19 2HB SER 19 10.601 -3.287 5.945 130 HG SER 19 HG SER 19 9.835 -5.971 5.282 131 H ASN 20 H ASN 20 8.718 -1.488 6.033 132 HA ASN 20 HA ASN 20 6.683 -2.392 7.798 133 1HB ASN 20 1HB ASN 20 7.047 0.377 6.637 134 2HB ASN 20 2HB ASN 20 6.031 0.028 7.971 135 1HD2 ASN 20 1HD2 ASN 20 8.752 1.416 7.327 136 2HD2 ASN 20 2HD2 ASN 20 9.735 0.966 8.697 137 H ILE 21 H ILE 21 6.436 -1.111 4.511 138 HA ILE 21 HA ILE 21 3.578 -0.551 4.681 139 HB ILE 21 HB ILE 21 4.984 -0.986 2.053 140 1HG1 ILE 21 1HG1 ILE 21 5.829 1.165 4.031 141 2HG1 ILE 21 2HG1 ILE 21 6.623 0.253 2.772 142 1HG2 ILE 21 1HG2 ILE 21 3.407 0.747 1.313 143 2HG2 ILE 21 2HG2 ILE 21 2.577 -0.580 2.107 144 3HG2 ILE 21 3HG2 ILE 21 2.837 0.928 3.000 145 1HD1 ILE 21 1HD1 ILE 21 6.618 2.516 2.066 146 2HD1 ILE 21 2HD1 ILE 21 5.700 1.498 0.955 147 3HD1 ILE 21 3HD1 ILE 21 4.841 2.553 2.098 148 H GLU 22 H GLU 22 5.513 -3.284 3.414 149 HA GLU 22 HA GLU 22 3.251 -4.886 2.702 150 1HB GLU 22 1HB GLU 22 6.168 -5.225 3.069 151 2HB GLU 22 2HB GLU 22 5.257 -6.671 3.480 152 1HG GLU 22 1HG GLU 22 4.052 -6.533 1.302 153 2HG GLU 22 2HG GLU 22 4.930 -5.047 0.931 154 H SER 23 H SER 23 5.106 -4.794 5.812 155 HA SER 23 HA SER 23 3.436 -6.751 7.041 156 1HB SER 23 1HB SER 23 5.715 -5.963 7.751 157 2HB SER 23 2HB SER 23 4.983 -4.449 8.310 158 HG SER 23 HG SER 23 5.271 -5.941 10.021 159 H THR 24 H THR 24 3.058 -3.220 7.078 160 HA THR 24 HA THR 24 0.828 -3.217 8.911 161 HB THR 24 HB THR 24 1.761 -1.029 6.942 162 HG1 THR 24 HG1 THR 24 3.365 -1.451 8.282 163 1HG2 THR 24 1HG2 THR 24 0.680 0.518 8.536 164 2HG2 THR 24 2HG2 THR 24 0.046 -0.860 9.463 165 3HG2 THR 24 3HG2 THR 24 -0.511 -0.561 7.801 166 H LEU 25 H LEU 25 1.083 -3.183 5.367 167 HA LEU 25 HA LEU 25 -1.802 -3.053 5.056 168 1HB LEU 25 1HB LEU 25 0.497 -3.724 3.205 169 2HB LEU 25 2HB LEU 25 -1.154 -3.840 2.682 170 HG LEU 25 HG LEU 25 0.312 -1.641 2.264 171 1HD1 LEU 25 1HD1 LEU 25 -1.826 -0.427 1.999 172 2HD1 LEU 25 2HD1 LEU 25 -2.658 -1.708 2.892 173 3HD1 LEU 25 3HD1 LEU 25 -1.865 -2.071 1.338 174 1HD2 LEU 25 1HD2 LEU 25 -1.087 -0.921 4.888 175 2HD2 LEU 25 2HD2 LEU 25 -0.366 0.216 3.769 176 3HD2 LEU 25 3HD2 LEU 25 0.669 -0.929 4.602 177 H SER 26 H SER 26 0.582 -5.798 5.042 178 HA SER 26 HA SER 26 -1.489 -7.584 4.063 179 1HB SER 26 1HB SER 26 0.973 -7.874 3.646 180 2HB SER 26 2HB SER 26 1.200 -8.269 5.315 181 HG SER 26 HG SER 26 -0.445 -9.930 4.969 182 H ALA 27 H ALA 27 -1.716 -6.160 6.850 183 HA ALA 27 HA ALA 27 -2.556 -8.543 8.463 184 1HB ALA 27 1HB ALA 27 -1.813 -5.692 9.304 185 2HB ALA 27 2HB ALA 27 -2.306 -7.006 10.398 186 3HB ALA 27 3HB ALA 27 -0.784 -7.127 9.487 187 H LEU 28 H LEU 28 -3.816 -6.183 6.358 188 HA LEU 28 HA LEU 28 -5.907 -5.218 8.076 189 1HB LEU 28 1HB LEU 28 -5.552 -5.031 5.061 190 2HB LEU 28 2HB LEU 28 -6.751 -4.151 6.007 191 HG LEU 28 HG LEU 28 -3.780 -3.860 6.583 192 1HD1 LEU 28 1HD1 LEU 28 -4.353 -3.267 4.142 193 2HD1 LEU 28 2HD1 LEU 28 -3.597 -2.022 5.140 194 3HD1 LEU 28 3HD1 LEU 28 -5.316 -1.926 4.827 195 1HD2 LEU 28 1HD2 LEU 28 -5.303 -3.046 8.320 196 2HD2 LEU 28 2HD2 LEU 28 -6.196 -2.094 7.110 197 3HD2 LEU 28 3HD2 LEU 28 -4.497 -1.697 7.500 198 H GLN 29 H GLN 29 -7.843 -6.068 8.480 199 HA GLN 29 HA GLN 29 -8.567 -8.664 7.959 200 1HB GLN 29 1HB GLN 29 -9.461 -7.145 9.715 201 2HB GLN 29 2HB GLN 29 -10.417 -6.291 8.496 202 1HG GLN 29 1HG GLN 29 -11.725 -8.342 8.062 203 2HG GLN 29 2HG GLN 29 -10.736 -9.243 9.216 204 1HE2 GLN 29 1HE2 GLN 29 -13.639 -8.912 9.333 205 2HE2 GLN 29 2HE2 GLN 29 -13.924 -8.024 10.839 206 H TYR 30 H TYR 30 -9.070 -6.040 5.692 207 HA TYR 30 HA TYR 30 -10.791 -7.744 3.967 208 1HB TYR 30 1HB TYR 30 -10.834 -5.626 2.561 209 2HB TYR 30 2HB TYR 30 -11.677 -5.624 4.104 210 HD1 TYR 30 HD1 TYR 30 -11.666 -3.540 5.086 211 HD2 TYR 30 HD2 TYR 30 -7.994 -4.894 3.226 212 HE1 TYR 30 HE1 TYR 30 -10.520 -1.466 5.813 213 HE2 TYR 30 HE2 TYR 30 -6.929 -2.822 3.858 214 HH TYR 30 HH TYR 30 -8.472 -0.306 5.852 215 H VAL 31 H VAL 31 -7.382 -7.436 4.228 216 HA VAL 31 HA VAL 31 -7.093 -7.335 1.254 217 HB VAL 31 HB VAL 31 -5.652 -5.739 2.618 218 1HG1 VAL 31 1HG1 VAL 31 -4.979 -7.072 4.342 219 2HG1 VAL 31 2HG1 VAL 31 -4.191 -8.263 3.235 220 3HG1 VAL 31 3HG1 VAL 31 -3.596 -6.599 3.324 221 1HG2 VAL 31 1HG2 VAL 31 -5.115 -6.375 0.211 222 2HG2 VAL 31 2HG2 VAL 31 -3.663 -6.100 1.192 223 3HG2 VAL 31 3HG2 VAL 31 -4.160 -7.745 0.845 224 H SER 32 H SER 32 -6.228 -9.081 0.088 225 HA SER 32 HA SER 32 -6.107 -11.650 1.644 226 1HB SER 32 1HB SER 32 -7.970 -11.304 -0.036 227 2HB SER 32 2HB SER 32 -6.722 -11.353 -1.302 228 HG SER 32 HG SER 32 -6.090 -13.415 -0.390 229 H SER 33 H SER 33 -4.164 -9.513 -0.241 230 HA SER 33 HA SER 33 -1.730 -10.980 0.032 231 1HB SER 33 1HB SER 33 -3.233 -11.238 -2.538 232 2HB SER 33 2HB SER 33 -1.496 -11.207 -2.587 233 HG SER 33 HG SER 33 -2.976 -12.947 -0.898 234 H ILE 34 H ILE 34 -0.034 -9.961 -1.449 235 HA ILE 34 HA ILE 34 -0.148 -7.289 -2.398 236 HB ILE 34 HB ILE 34 -0.674 -6.660 -0.108 237 1HG1 ILE 34 1HG1 ILE 34 2.257 -5.978 -0.547 238 2HG1 ILE 34 2HG1 ILE 34 0.916 -5.225 -1.418 239 1HG2 ILE 34 1HG2 ILE 34 1.868 -8.056 0.829 240 2HG2 ILE 34 2HG2 ILE 34 0.706 -7.145 1.809 241 3HG2 ILE 34 3HG2 ILE 34 0.221 -8.666 1.094 242 1HD1 ILE 34 1HD1 ILE 34 1.589 -3.785 0.396 243 2HD1 ILE 34 2HD1 ILE 34 -0.024 -4.446 0.752 244 3HD1 ILE 34 3HD1 ILE 34 1.406 -5.090 1.575 245 H VAL 35 H VAL 35 1.847 -6.589 -3.106 246 HA VAL 35 HA VAL 35 4.370 -7.920 -2.347 247 HB VAL 35 HB VAL 35 3.380 -7.686 -5.218 248 1HG1 VAL 35 1HG1 VAL 35 5.593 -6.677 -5.340 249 2HG1 VAL 35 2HG1 VAL 35 6.283 -7.982 -4.348 250 3HG1 VAL 35 3HG1 VAL 35 5.686 -8.312 -5.986 251 1HG2 VAL 35 1HG2 VAL 35 4.706 -9.847 -3.533 252 2HG2 VAL 35 2HG2 VAL 35 3.017 -9.873 -4.116 253 3HG2 VAL 35 3HG2 VAL 35 4.346 -10.065 -5.271 254 H VAL 36 H VAL 36 5.797 -6.356 -1.962 255 HA VAL 36 HA VAL 36 5.308 -3.653 -3.188 256 HB VAL 36 HB VAL 36 5.504 -3.826 -0.718 257 1HG1 VAL 36 1HG1 VAL 36 7.545 -5.367 -0.753 258 2HG1 VAL 36 2HG1 VAL 36 8.495 -4.030 -1.281 259 3HG1 VAL 36 3HG1 VAL 36 7.663 -3.960 0.318 260 1HG2 VAL 36 1HG2 VAL 36 6.612 -1.721 -0.451 261 2HG2 VAL 36 2HG2 VAL 36 7.444 -1.885 -2.016 262 3HG2 VAL 36 3HG2 VAL 36 5.690 -1.703 -1.948 263 H SER 37 H SER 37 6.886 -2.422 -4.158 264 HA SER 37 HA SER 37 8.865 -3.852 -5.796 265 1HB SER 37 1HB SER 37 8.638 -0.846 -5.350 266 2HB SER 37 2HB SER 37 9.375 -1.689 -6.719 267 HG SER 37 HG SER 37 6.650 -1.424 -5.998 268 H LEU 38 H LEU 38 10.718 -4.643 -4.589 269 HA LEU 38 HA LEU 38 11.573 -3.425 -2.205 270 1HB LEU 38 1HB LEU 38 12.182 -5.732 -3.321 271 2HB LEU 38 2HB LEU 38 13.482 -4.805 -4.105 272 HG LEU 38 HG LEU 38 14.034 -6.160 -2.026 273 1HD1 LEU 38 1HD1 LEU 38 14.809 -3.280 -2.037 274 2HD1 LEU 38 2HD1 LEU 38 15.522 -4.528 -3.075 275 3HD1 LEU 38 3HD1 LEU 38 15.719 -4.605 -1.305 276 1HD2 LEU 38 1HD2 LEU 38 12.118 -5.342 -0.596 277 2HD2 LEU 38 2HD2 LEU 38 12.920 -3.754 -0.526 278 3HD2 LEU 38 3HD2 LEU 38 13.717 -5.180 0.157 279 H GLU 39 H GLU 39 12.672 -2.872 -5.536 280 HA GLU 39 HA GLU 39 14.704 -1.021 -4.913 281 1HB GLU 39 1HB GLU 39 14.335 -2.308 -7.106 282 2HB GLU 39 2HB GLU 39 13.108 -1.120 -7.489 283 1HG GLU 39 1HG GLU 39 15.190 0.541 -6.804 284 2HG GLU 39 2HG GLU 39 16.088 -0.875 -7.357 285 H ASN 40 H ASN 40 11.400 -0.530 -6.140 286 HA ASN 40 HA ASN 40 11.669 2.375 -6.059 287 1HB ASN 40 1HB ASN 40 10.041 0.361 -7.566 288 2HB ASN 40 2HB ASN 40 9.301 1.939 -7.346 289 1HD2 ASN 40 1HD2 ASN 40 11.854 0.206 -8.972 290 2HD2 ASN 40 2HD2 ASN 40 12.832 1.545 -9.376 291 H ARG 41 H ARG 41 9.425 3.486 -5.954 292 HA ARG 41 HA ARG 41 8.856 3.519 -3.100 293 1HB ARG 41 1HB ARG 41 7.690 5.452 -5.156 294 2HB ARG 41 2HB ARG 41 8.021 5.711 -3.491 295 1HG ARG 41 1HG ARG 41 9.784 6.836 -3.984 296 2HG ARG 41 2HG ARG 41 10.550 5.291 -4.324 297 1HD ARG 41 1HD ARG 41 10.939 6.475 -6.180 298 2HD ARG 41 2HD ARG 41 9.549 5.514 -6.700 299 HE ARG 41 HE ARG 41 8.431 7.920 -5.810 300 1HH1 ARG 41 1HH1 ARG 41 10.831 7.207 -8.312 301 2HH1 ARG 41 2HH1 ARG 41 10.463 8.676 -9.174 302 1HH2 ARG 41 1HH2 ARG 41 8.014 9.724 -6.913 303 2HH2 ARG 41 2HH2 ARG 41 8.816 10.096 -8.403 304 H SER 42 H SER 42 7.449 1.353 -4.857 305 HA SER 42 HA SER 42 4.664 2.079 -4.063 306 1HB SER 42 1HB SER 42 4.020 1.122 -6.402 307 2HB SER 42 2HB SER 42 4.652 2.761 -6.290 308 HG SER 42 HG SER 42 5.578 1.226 -7.953 309 H ALA 43 H ALA 43 3.069 0.504 -4.179 310 HA ALA 43 HA ALA 43 3.885 -2.329 -3.642 311 1HB ALA 43 1HB ALA 43 2.058 -0.487 -1.973 312 2HB ALA 43 2HB ALA 43 2.413 -2.211 -1.645 313 3HB ALA 43 3HB ALA 43 3.695 -1.014 -1.498 314 H ILE 44 H ILE 44 2.632 -3.775 -4.487 315 HA ILE 44 HA ILE 44 0.098 -3.051 -5.922 316 HB ILE 44 HB ILE 44 1.931 -5.463 -6.222 317 1HG1 ILE 44 1HG1 ILE 44 1.573 -3.105 -8.130 318 2HG1 ILE 44 2HG1 ILE 44 2.942 -3.257 -7.038 319 1HG2 ILE 44 1HG2 ILE 44 -0.475 -5.904 -6.719 320 2HG2 ILE 44 2HG2 ILE 44 -0.487 -4.542 -7.857 321 3HG2 ILE 44 3HG2 ILE 44 0.503 -5.982 -8.177 322 1HD1 ILE 44 1HD1 ILE 44 3.541 -5.426 -8.136 323 2HD1 ILE 44 2HD1 ILE 44 2.250 -5.131 -9.330 324 3HD1 ILE 44 3HD1 ILE 44 3.616 -4.013 -9.207 325 H VAL 45 H VAL 45 -1.581 -3.422 -4.620 326 HA VAL 45 HA VAL 45 -1.376 -5.391 -2.351 327 HB VAL 45 HB VAL 45 -3.101 -2.938 -2.540 328 1HG1 VAL 45 1HG1 VAL 45 -3.832 -4.678 -0.919 329 2HG1 VAL 45 2HG1 VAL 45 -2.215 -4.691 -0.190 330 3HG1 VAL 45 3HG1 VAL 45 -3.246 -3.254 -0.057 331 1HG2 VAL 45 1HG2 VAL 45 -1.531 -1.790 -1.010 332 2HG2 VAL 45 2HG2 VAL 45 -0.392 -3.145 -1.172 333 3HG2 VAL 45 3HG2 VAL 45 -0.782 -2.132 -2.565 334 H VAL 46 H VAL 46 -3.005 -6.922 -2.225 335 HA VAL 46 HA VAL 46 -5.102 -6.946 -4.373 336 HB VAL 46 HB VAL 46 -3.508 -9.229 -3.163 337 1HG1 VAL 46 1HG1 VAL 46 -5.381 -9.367 -5.540 338 2HG1 VAL 46 2HG1 VAL 46 -4.420 -10.685 -4.820 339 3HG1 VAL 46 3HG1 VAL 46 -5.744 -9.962 -3.903 340 1HG2 VAL 46 1HG2 VAL 46 -1.978 -7.980 -4.526 341 2HG2 VAL 46 2HG2 VAL 46 -2.408 -9.464 -5.372 342 3HG2 VAL 46 3HG2 VAL 46 -3.133 -7.923 -5.868 343 H TYR 47 H TYR 47 -7.088 -6.731 -3.407 344 HA TYR 47 HA TYR 47 -7.445 -7.749 -0.612 345 1HB TYR 47 1HB TYR 47 -8.435 -5.737 0.104 346 2HB TYR 47 2HB TYR 47 -6.914 -5.313 -0.629 347 HD1 TYR 47 HD1 TYR 47 -10.507 -4.853 -0.639 348 HD2 TYR 47 HD2 TYR 47 -6.996 -4.420 -3.102 349 HE1 TYR 47 HE1 TYR 47 -11.773 -3.384 -2.190 350 HE2 TYR 47 HE2 TYR 47 -8.255 -2.953 -4.658 351 HH TYR 47 HH TYR 47 -11.800 -2.495 -4.268 352 H ASN 48 H ASN 48 -9.698 -7.986 0.107 353 HA ASN 48 HA ASN 48 -11.194 -9.291 -2.087 354 1HB ASN 48 1HB ASN 48 -10.548 -10.509 0.021 355 2HB ASN 48 2HB ASN 48 -11.599 -9.418 0.935 356 1HD2 ASN 48 1HD2 ASN 48 -11.490 -11.908 -1.625 357 2HD2 ASN 48 2HD2 ASN 48 -13.167 -12.402 -1.391 358 H ALA 49 H ALA 49 -12.912 -8.303 -2.976 359 HA ALA 49 HA ALA 49 -15.002 -7.007 -1.573 360 1HB ALA 49 1HB ALA 49 -13.430 -5.094 -1.295 361 2HB ALA 49 2HB ALA 49 -13.104 -5.117 -3.047 362 3HB ALA 49 3HB ALA 49 -14.710 -4.673 -2.432 363 H SER 50 H SER 50 -16.766 -6.618 -2.940 364 HA SER 50 HA SER 50 -16.576 -7.410 -5.765 365 1HB SER 50 1HB SER 50 -19.016 -6.530 -4.176 366 2HB SER 50 2HB SER 50 -18.968 -7.445 -5.698 367 HG SER 50 HG SER 50 -18.965 -9.140 -4.459 368 H SER 51 H SER 51 -15.334 -4.803 -4.706 369 HA SER 51 HA SER 51 -16.379 -3.056 -6.721 370 1HB SER 51 1HB SER 51 -17.137 -2.558 -3.847 371 2HB SER 51 2HB SER 51 -16.922 -1.196 -4.962 372 HG SER 51 HG SER 51 -18.471 -3.421 -5.756 373 H VAL 52 H VAL 52 -15.222 -1.133 -7.065 374 HA VAL 52 HA VAL 52 -12.418 -1.329 -6.329 375 HB VAL 52 HB VAL 52 -12.163 0.641 -7.914 376 1HG1 VAL 52 1HG1 VAL 52 -13.381 -1.942 -8.974 377 2HG1 VAL 52 2HG1 VAL 52 -12.363 -0.806 -9.884 378 3HG1 VAL 52 3HG1 VAL 52 -11.683 -1.695 -8.512 379 1HG2 VAL 52 1HG2 VAL 52 -13.962 1.079 -9.515 380 2HG2 VAL 52 2HG2 VAL 52 -15.043 -0.060 -8.696 381 3HG2 VAL 52 3HG2 VAL 52 -14.563 1.448 -7.895 382 H THR 53 H THR 53 -12.918 -0.992 -4.063 383 HA THR 53 HA THR 53 -12.735 1.890 -3.284 384 HB THR 53 HB THR 53 -13.212 -0.498 -1.474 385 HG1 THR 53 HG1 THR 53 -15.339 0.191 -1.570 386 1HG2 THR 53 1HG2 THR 53 -14.073 1.261 0.070 387 2HG2 THR 53 2HG2 THR 53 -13.600 2.517 -1.096 388 3HG2 THR 53 3HG2 THR 53 -12.360 1.527 -0.290 389 HA PRO 54 HA PRO 54 -8.378 0.232 -2.901 390 1HB PRO 54 1HB PRO 54 -7.032 2.033 -4.413 391 2HB PRO 54 2HB PRO 54 -7.988 0.715 -5.152 392 1HG PRO 54 1HG PRO 54 -8.875 3.583 -4.674 393 2HG PRO 54 2HG PRO 54 -8.921 2.658 -6.213 394 1HD PRO 54 1HD PRO 54 -11.090 2.807 -4.587 395 2HD PRO 54 2HD PRO 54 -10.665 1.298 -5.459 396 H GLU 55 H GLU 55 -9.824 3.411 -2.340 397 HA GLU 55 HA GLU 55 -7.671 4.807 -1.241 398 1HB GLU 55 1HB GLU 55 -9.793 5.734 -2.086 399 2HB GLU 55 2HB GLU 55 -10.651 5.021 -0.731 400 1HG GLU 55 1HG GLU 55 -10.416 7.365 -0.361 401 2HG GLU 55 2HG GLU 55 -9.461 6.515 0.836 402 H SER 56 H SER 56 -9.453 2.179 0.310 403 HA SER 56 HA SER 56 -8.831 2.952 3.061 404 1HB SER 56 1HB SER 56 -9.440 0.607 3.552 405 2HB SER 56 2HB SER 56 -10.685 1.418 2.588 406 HG SER 56 HG SER 56 -9.945 -0.797 1.916 407 H LEU 57 H LEU 57 -7.355 0.767 0.642 408 HA LEU 57 HA LEU 57 -5.163 -0.092 2.300 409 1HB LEU 57 1HB LEU 57 -5.160 0.247 -0.707 410 2HB LEU 57 2HB LEU 57 -4.125 -0.804 0.229 411 HG LEU 57 HG LEU 57 -7.127 -1.144 -0.234 412 1HD1 LEU 57 1HD1 LEU 57 -5.745 -3.365 -1.223 413 2HD1 LEU 57 2HD1 LEU 57 -4.710 -1.989 -1.652 414 3HD1 LEU 57 3HD1 LEU 57 -6.387 -2.000 -2.181 415 1HD2 LEU 57 1HD2 LEU 57 -6.925 -3.313 0.886 416 2HD2 LEU 57 2HD2 LEU 57 -6.510 -1.982 1.973 417 3HD2 LEU 57 3HD2 LEU 57 -5.219 -2.990 1.281 418 H ARG 58 H ARG 58 -5.435 2.578 -0.107 419 HA ARG 58 HA ARG 58 -2.912 3.761 0.146 420 1HB ARG 58 1HB ARG 58 -4.714 4.452 -1.429 421 2HB ARG 58 2HB ARG 58 -5.665 5.011 -0.103 422 1HG ARG 58 1HG ARG 58 -3.357 6.403 0.354 423 2HG ARG 58 2HG ARG 58 -3.312 6.285 -1.416 424 1HD ARG 58 1HD ARG 58 -5.456 7.301 -1.607 425 2HD ARG 58 2HD ARG 58 -5.751 7.176 0.147 426 HE ARG 58 HE ARG 58 -3.622 8.750 0.241 427 1HH1 ARG 58 1HH1 ARG 58 -6.562 9.023 -1.651 428 2HH1 ARG 58 2HH1 ARG 58 -6.328 10.729 -1.964 429 1HH2 ARG 58 1HH2 ARG 58 -3.449 10.747 0.140 430 2HH2 ARG 58 2HH2 ARG 58 -4.471 11.797 -0.866 431 H LYS 59 H LYS 59 -5.881 4.494 2.132 432 HA LYS 59 HA LYS 59 -4.660 6.118 4.057 433 1HB LYS 59 1HB LYS 59 -7.165 4.568 3.761 434 2HB LYS 59 2HB LYS 59 -6.635 4.683 5.421 435 1HG LYS 59 1HG LYS 59 -8.116 6.535 4.823 436 2HG LYS 59 2HG LYS 59 -6.500 7.095 5.301 437 1HD LYS 59 1HD LYS 59 -5.946 7.271 2.818 438 2HD LYS 59 2HD LYS 59 -7.624 6.925 2.480 439 1HE LYS 59 1HE LYS 59 -8.345 8.977 3.490 440 2HE LYS 59 2HE LYS 59 -6.807 9.153 4.379 441 1HZ LYS 59 1HZ LYS 59 -7.061 9.303 1.452 442 2HZ LYS 59 2HZ LYS 59 -5.671 9.487 2.330 443 3HZ LYS 59 3HZ LYS 59 -6.874 10.616 2.445 444 H ALA 60 H ALA 60 -4.664 2.528 4.041 445 HA ALA 60 HA ALA 60 -3.458 2.317 6.673 446 1HB ALA 60 1HB ALA 60 -3.071 0.010 6.023 447 2HB ALA 60 2HB ALA 60 -4.714 0.486 5.546 448 3HB ALA 60 3HB ALA 60 -3.436 0.371 4.319 449 H ILE 61 H ILE 61 -2.149 2.644 3.365 450 HA ILE 61 HA ILE 61 0.602 2.496 4.204 451 HB ILE 61 HB ILE 61 -0.514 3.915 1.750 452 1HG1 ILE 61 1HG1 ILE 61 0.503 1.064 1.961 453 2HG1 ILE 61 2HG1 ILE 61 -1.155 1.559 1.738 454 1HG2 ILE 61 1HG2 ILE 61 1.804 3.498 0.836 455 2HG2 ILE 61 2HG2 ILE 61 1.729 4.634 2.135 456 3HG2 ILE 61 3HG2 ILE 61 2.294 2.992 2.465 457 1HD1 ILE 61 1HD1 ILE 61 -0.429 0.863 -0.371 458 2HD1 ILE 61 2HD1 ILE 61 -0.539 2.634 -0.432 459 3HD1 ILE 61 3HD1 ILE 61 1.046 1.830 -0.299 460 H GLU 62 H GLU 62 -1.513 5.380 3.560 461 HA GLU 62 HA GLU 62 0.297 7.339 4.465 462 1HB GLU 62 1HB GLU 62 -2.750 7.303 4.638 463 2HB GLU 62 2HB GLU 62 -1.691 8.700 4.925 464 1HG GLU 62 1HG GLU 62 -0.860 8.638 2.662 465 2HG GLU 62 2HG GLU 62 -1.887 7.235 2.297 466 H ALA 63 H ALA 63 -1.477 4.972 6.419 467 HA ALA 63 HA ALA 63 -1.078 6.536 8.868 468 1HB ALA 63 1HB ALA 63 -2.244 3.763 8.391 469 2HB ALA 63 2HB ALA 63 -2.323 4.676 9.912 470 3HB ALA 63 3HB ALA 63 -3.172 5.283 8.475 471 H VAL 64 H VAL 64 1.031 4.818 7.154 472 HA VAL 64 HA VAL 64 2.374 3.531 9.487 473 HB VAL 64 HB VAL 64 2.040 2.425 7.040 474 1HG1 VAL 64 1HG1 VAL 64 3.382 4.052 5.885 475 2HG1 VAL 64 2HG1 VAL 64 4.832 3.412 6.685 476 3HG1 VAL 64 3HG1 VAL 64 3.831 2.337 5.673 477 1HG2 VAL 64 1HG2 VAL 64 4.628 2.233 8.703 478 2HG2 VAL 64 2HG2 VAL 64 3.114 1.429 9.181 479 3HG2 VAL 64 3HG2 VAL 64 3.946 0.930 7.689 480 H SER 65 H SER 65 2.696 6.113 7.143 481 HA SER 65 HA SER 65 4.406 7.497 9.027 482 1HB SER 65 1HB SER 65 5.685 7.795 6.438 483 2HB SER 65 2HB SER 65 6.279 7.562 8.089 484 HG SER 65 HG SER 65 5.706 5.306 7.824 485 HA PRO 66 HA PRO 66 1.035 9.951 7.028 486 1HB PRO 66 1HB PRO 66 0.279 11.189 9.450 487 2HB PRO 66 2HB PRO 66 -0.466 9.749 8.701 488 1HG PRO 66 1HG PRO 66 1.670 9.860 10.843 489 2HG PRO 66 2HG PRO 66 0.222 8.798 10.760 490 1HD PRO 66 1HD PRO 66 2.594 7.785 10.029 491 2HD PRO 66 2HD PRO 66 1.208 7.480 9.019 492 H GLY 67 H GLY 67 0.972 12.040 6.438 493 1HA GLY 67 1HA GLY 67 1.604 14.269 6.145 494 2HA GLY 67 2HA GLY 67 2.751 14.118 7.502 495 H LEU 68 H LEU 68 4.207 11.904 6.593 496 HA LEU 68 HA LEU 68 6.079 13.061 4.679 497 1HB LEU 68 1HB LEU 68 6.768 11.714 6.608 498 2HB LEU 68 2HB LEU 68 5.832 10.351 6.012 499 HG LEU 68 HG LEU 68 7.300 10.334 3.924 500 1HD1 LEU 68 1HD1 LEU 68 9.515 11.458 4.163 501 2HD1 LEU 68 2HD1 LEU 68 8.915 12.294 5.609 502 3HD1 LEU 68 3HD1 LEU 68 8.189 12.624 4.014 503 1HD2 LEU 68 1HD2 LEU 68 8.608 9.973 6.634 504 2HD2 LEU 68 2HD2 LEU 68 9.125 9.235 5.095 505 3HD2 LEU 68 3HD2 LEU 68 7.574 8.787 5.806 506 H TYR 69 H TYR 69 3.990 10.163 4.684 507 HA TYR 69 HA TYR 69 4.722 9.295 2.099 508 1HB TYR 69 1HB TYR 69 2.526 8.584 4.090 509 2HB TYR 69 2HB TYR 69 2.578 7.894 2.496 510 HD1 TYR 69 HD1 TYR 69 2.583 5.739 3.591 511 HD2 TYR 69 HD2 TYR 69 5.938 8.399 3.930 512 HE1 TYR 69 HE1 TYR 69 4.030 3.815 3.740 513 HE2 TYR 69 HE2 TYR 69 7.384 6.465 4.452 514 HH TYR 69 HH TYR 69 6.085 3.089 4.264 515 H ARG 70 H ARG 70 4.317 10.407 0.212 516 HA ARG 70 HA ARG 70 1.776 11.743 -0.222 517 1HB ARG 70 1HB ARG 70 4.334 12.134 -1.078 518 2HB ARG 70 2HB ARG 70 3.751 11.225 -2.413 519 1HG ARG 70 1HG ARG 70 3.317 13.496 -2.947 520 2HG ARG 70 2HG ARG 70 1.739 12.871 -2.504 521 1HD ARG 70 1HD ARG 70 2.220 15.132 -1.533 522 2HD ARG 70 2HD ARG 70 1.870 13.910 -0.304 523 HE ARG 70 HE ARG 70 4.698 14.452 -1.033 524 1HH1 ARG 70 1HH1 ARG 70 2.259 14.725 1.537 525 2HH1 ARG 70 2HH1 ARG 70 3.470 14.782 2.787 526 1HH2 ARG 70 1HH2 ARG 70 6.151 14.436 0.613 527 2HH2 ARG 70 2HH2 ARG 70 5.623 14.601 2.254 528 H VAL 71 H VAL 71 0.761 9.513 0.250 529 HA VAL 71 HA VAL 71 1.091 7.477 -1.707 530 HB VAL 71 HB VAL 71 -1.289 7.442 0.123 531 1HG1 VAL 71 1HG1 VAL 71 -1.168 5.710 -1.741 532 2HG1 VAL 71 2HG1 VAL 71 0.406 5.202 -1.111 533 3HG1 VAL 71 3HG1 VAL 71 -1.058 5.011 -0.126 534 1HG2 VAL 71 1HG2 VAL 71 0.737 7.839 1.453 535 2HG2 VAL 71 2HG2 VAL 71 0.179 6.187 1.674 536 3HG2 VAL 71 3HG2 VAL 71 1.582 6.520 0.627 537 H SER 72 H SER 72 0.520 7.295 -3.582 538 HA SER 72 HA SER 72 -2.069 8.424 -4.599 539 1HB SER 72 1HB SER 72 0.614 8.384 -5.998 540 2HB SER 72 2HB SER 72 -0.858 9.203 -6.500 541 HG SER 72 HG SER 72 0.752 9.836 -4.227 542 H ILE 73 H ILE 73 -3.004 7.300 -6.356 543 HA ILE 73 HA ILE 73 -2.191 4.425 -6.686 544 HB ILE 73 HB ILE 73 -4.750 5.924 -7.447 545 1HG1 ILE 73 1HG1 ILE 73 -4.381 3.853 -5.257 546 2HG1 ILE 73 2HG1 ILE 73 -4.341 5.584 -4.933 547 1HG2 ILE 73 1HG2 ILE 73 -4.202 2.916 -7.510 548 2HG2 ILE 73 2HG2 ILE 73 -5.715 3.722 -7.962 549 3HG2 ILE 73 3HG2 ILE 73 -4.280 3.966 -8.937 550 1HD1 ILE 73 1HD1 ILE 73 -6.652 5.813 -5.809 551 2HD1 ILE 73 2HD1 ILE 73 -6.728 4.047 -6.003 552 3HD1 ILE 73 3HD1 ILE 73 -6.530 4.754 -4.391 553 H THR 74 H THR 74 -0.963 3.869 -8.355 554 HA THR 74 HA THR 74 -0.599 5.582 -10.628 555 HB THR 74 HB THR 74 1.006 3.745 -11.057 556 HG1 THR 74 HG1 THR 74 -0.243 2.203 -10.020 557 1HG2 THR 74 1HG2 THR 74 1.232 4.787 -8.225 558 2HG2 THR 74 2HG2 THR 74 1.721 5.696 -9.675 559 3HG2 THR 74 3HG2 THR 74 2.564 4.193 -9.244 560 H SER 75 H SER 75 -2.685 5.493 -11.694 561 HA SER 75 HA SER 75 -3.146 2.933 -13.184 562 1HB SER 75 1HB SER 75 -5.244 4.822 -12.036 563 2HB SER 75 2HB SER 75 -5.576 3.513 -13.160 564 HG SER 75 HG SER 75 -6.028 2.835 -11.117 565 H GLU 76 H GLU 76 -4.346 3.262 -15.202 566 HA GLU 76 HA GLU 76 -3.763 5.768 -16.623 567 1HB GLU 76 1HB GLU 76 -3.691 3.475 -17.724 568 2HB GLU 76 2HB GLU 76 -5.434 3.348 -17.447 569 1HG GLU 76 1HG GLU 76 -5.728 5.470 -18.812 570 2HG GLU 76 2HG GLU 76 -3.991 5.454 -19.120 571 H VAL 77 H VAL 77 -5.198 7.316 -16.640 572 HA VAL 77 HA VAL 77 -8.008 7.115 -15.844 573 HB VAL 77 HB VAL 77 -7.861 8.908 -14.169 574 1HG1 VAL 77 1HG1 VAL 77 -7.744 6.533 -13.384 575 2HG1 VAL 77 2HG1 VAL 77 -5.969 6.679 -13.328 576 3HG1 VAL 77 3HG1 VAL 77 -6.978 7.694 -12.289 577 1HG2 VAL 77 1HG2 VAL 77 -4.836 8.716 -14.461 578 2HG2 VAL 77 2HG2 VAL 77 -5.877 10.112 -14.835 579 3HG2 VAL 77 3HG2 VAL 77 -5.690 9.579 -13.168 Start of MODEL 17 1 1H ASN 1 1HT ASN 1 -13.541 -15.206 -7.470 2 HA ASN 1 HA ASN 1 -10.979 -14.400 -6.861 3 1HB ASN 1 1HB ASN 1 -11.867 -14.636 -9.073 4 2HB ASN 1 2HB ASN 1 -13.023 -13.327 -8.815 5 1HD2 ASN 1 1HD2 ASN 1 -9.415 -13.244 -8.023 6 2HD2 ASN 1 2HD2 ASN 1 -9.206 -11.887 -9.079 7 H ASP 2 H ASP 2 -9.941 -12.854 -6.106 8 HA ASP 2 HA ASP 2 -10.794 -10.683 -4.453 9 1HB ASP 2 1HB ASP 2 -8.277 -10.413 -4.354 10 2HB ASP 2 2HB ASP 2 -8.850 -12.004 -3.911 11 H SER 3 H SER 3 -9.480 -8.568 -4.750 12 HA SER 3 HA SER 3 -9.472 -7.564 -7.550 13 1HB SER 3 1HB SER 3 -11.303 -6.578 -6.033 14 2HB SER 3 2HB SER 3 -10.011 -5.917 -5.043 15 HG SER 3 HG SER 3 -10.930 -4.547 -6.749 16 H THR 4 H THR 4 -8.113 -5.333 -7.321 17 HA THR 4 HA THR 4 -5.677 -5.540 -5.736 18 HB THR 4 HB THR 4 -5.690 -6.450 -8.610 19 HG1 THR 4 HG1 THR 4 -5.617 -7.732 -6.574 20 1HG2 THR 4 1HG2 THR 4 -3.251 -5.323 -7.155 21 2HG2 THR 4 2HG2 THR 4 -3.958 -4.684 -8.666 22 3HG2 THR 4 3HG2 THR 4 -3.216 -6.288 -8.643 23 H ALA 5 H ALA 5 -4.459 -3.737 -5.776 24 HA ALA 5 HA ALA 5 -4.967 -1.596 -7.716 25 1HB ALA 5 1HB ALA 5 -5.394 -1.253 -4.719 26 2HB ALA 5 2HB ALA 5 -5.280 0.090 -5.878 27 3HB ALA 5 3HB ALA 5 -6.610 -1.091 -6.003 28 H THR 6 H THR 6 -3.376 0.086 -7.650 29 HA THR 6 HA THR 6 -0.764 -0.705 -6.450 30 HB THR 6 HB THR 6 -1.232 0.670 -9.103 31 HG1 THR 6 HG1 THR 6 -0.758 -1.277 -9.978 32 1HG2 THR 6 1HG2 THR 6 1.182 0.166 -9.452 33 2HG2 THR 6 2HG2 THR 6 1.271 -0.444 -7.774 34 3HG2 THR 6 3HG2 THR 6 0.905 1.263 -8.093 35 H PHE 7 H PHE 7 0.402 0.801 -5.563 36 HA PHE 7 HA PHE 7 -0.504 3.620 -5.501 37 1HB PHE 7 1HB PHE 7 0.227 2.092 -2.987 38 2HB PHE 7 2HB PHE 7 -0.406 3.721 -3.113 39 HD1 PHE 7 HD1 PHE 7 -1.411 0.078 -3.414 40 HD2 PHE 7 HD2 PHE 7 -2.758 4.207 -3.436 41 HE1 PHE 7 HE1 PHE 7 -3.700 -0.667 -3.447 42 HE2 PHE 7 HE2 PHE 7 -5.091 3.400 -3.454 43 HZ PHE 7 HZ PHE 7 -5.578 0.976 -3.484 44 H ILE 8 H ILE 8 1.140 5.127 -5.156 45 HA ILE 8 HA ILE 8 3.903 4.138 -4.757 46 HB ILE 8 HB ILE 8 3.277 4.512 -7.146 47 1HG1 ILE 8 1HG1 ILE 8 5.399 6.497 -6.206 48 2HG1 ILE 8 2HG1 ILE 8 5.577 4.752 -6.035 49 1HG2 ILE 8 1HG2 ILE 8 1.757 6.372 -6.979 50 2HG2 ILE 8 2HG2 ILE 8 3.069 7.454 -6.446 51 3HG2 ILE 8 3HG2 ILE 8 3.077 6.760 -8.077 52 1HD1 ILE 8 1HD1 ILE 8 5.382 4.367 -8.409 53 2HD1 ILE 8 2HD1 ILE 8 5.218 6.121 -8.705 54 3HD1 ILE 8 3HD1 ILE 8 6.727 5.460 -8.035 55 H ILE 9 H ILE 9 5.186 5.232 -3.485 56 HA ILE 9 HA ILE 9 3.878 7.381 -1.929 57 HB ILE 9 HB ILE 9 5.960 5.415 -1.025 58 1HG1 ILE 9 1HG1 ILE 9 4.532 4.202 0.312 59 2HG1 ILE 9 2HG1 ILE 9 3.124 5.147 -0.036 60 1HG2 ILE 9 1HG2 ILE 9 5.280 6.323 1.243 61 2HG2 ILE 9 2HG2 ILE 9 5.895 7.599 0.197 62 3HG2 ILE 9 3HG2 ILE 9 4.157 7.443 0.412 63 1HD1 ILE 9 1HD1 ILE 9 4.663 3.329 -1.944 64 2HD1 ILE 9 2HD1 ILE 9 3.277 2.828 -0.976 65 3HD1 ILE 9 3HD1 ILE 9 3.032 4.032 -2.245 66 H ASP 10 H ASP 10 4.722 9.228 -2.824 67 HA ASP 10 HA ASP 10 7.525 9.577 -3.524 68 1HB ASP 10 1HB ASP 10 5.469 10.533 -4.604 69 2HB ASP 10 2HB ASP 10 5.288 11.628 -3.297 70 H GLY 11 H GLY 11 7.476 8.734 -0.926 71 1HA GLY 11 1HA GLY 11 8.846 10.762 0.639 72 2HA GLY 11 2HA GLY 11 7.192 10.583 1.197 73 H MET 12 H MET 12 8.887 7.886 -0.137 74 HA MET 12 HA MET 12 8.475 6.330 2.314 75 1HB MET 12 1HB MET 12 7.697 5.871 -0.052 76 2HB MET 12 2HB MET 12 9.357 5.468 -0.470 77 1HG MET 12 1HG MET 12 9.312 3.646 0.929 78 2HG MET 12 2HG MET 12 7.718 4.030 1.629 79 1HE MET 12 1HE MET 12 8.546 1.047 0.294 80 2HE MET 12 2HE MET 12 8.231 0.932 -1.438 81 3HE MET 12 3HE MET 12 9.629 1.865 -0.884 82 H HIS 13 H HIS 13 10.059 5.608 3.580 83 HA HIS 13 HA HIS 13 12.720 6.318 3.587 84 1HB HIS 13 1HB HIS 13 11.711 3.790 4.876 85 2HB HIS 13 2HB HIS 13 12.991 4.837 5.436 86 HD1 HIS 13 HD1 HIS 13 10.472 3.982 7.252 87 HD2 HIS 13 HD2 HIS 13 11.109 7.622 5.226 88 HE1 HIS 13 HE1 HIS 13 9.094 5.747 8.467 89 H CYS 14 H CYS 14 12.145 4.804 1.025 90 HA CYS 14 HA CYS 14 13.310 3.702 -0.550 91 1HB CYS 14 1HB CYS 14 15.551 4.173 1.424 92 2HB CYS 14 2HB CYS 14 15.814 3.524 -0.203 93 HG CYS 14 HG CYS 14 16.273 6.230 0.067 94 H LYS 15 H LYS 15 14.508 2.129 2.447 95 HA LYS 15 HA LYS 15 13.692 -0.517 1.253 96 1HB LYS 15 1HB LYS 15 16.383 0.377 1.925 97 2HB LYS 15 2HB LYS 15 15.920 -0.907 3.030 98 1HG LYS 15 1HG LYS 15 17.017 -1.889 1.147 99 2HG LYS 15 2HG LYS 15 15.318 -2.361 1.104 100 1HD LYS 15 1HD LYS 15 14.883 -0.678 -0.669 101 2HD LYS 15 2HD LYS 15 16.572 -0.131 -0.573 102 1HE LYS 15 1HE LYS 15 17.323 -2.411 -1.270 103 2HE LYS 15 2HE LYS 15 15.636 -2.937 -1.319 104 1HZ LYS 15 1HZ LYS 15 16.901 -0.998 -3.165 105 2HZ LYS 15 2HZ LYS 15 15.263 -1.198 -3.042 106 3HZ LYS 15 3HZ LYS 15 16.213 -2.400 -3.512 107 H SER 16 H SER 16 14.415 0.991 4.542 108 HA SER 16 HA SER 16 13.051 -1.238 5.849 109 1HB SER 16 1HB SER 16 13.024 0.297 7.827 110 2HB SER 16 2HB SER 16 14.630 -0.052 7.154 111 HG SER 16 HG SER 16 14.396 2.179 7.580 112 H CYS 17 H CYS 17 11.792 1.599 4.261 113 HA CYS 17 HA CYS 17 9.190 1.882 5.377 114 1HB CYS 17 1HB CYS 17 8.623 2.255 2.854 115 2HB CYS 17 2HB CYS 17 9.753 3.388 3.550 116 HG CYS 17 HG CYS 17 10.100 2.006 0.956 117 H VAL 18 H VAL 18 10.331 -0.296 2.844 118 HA VAL 18 HA VAL 18 8.065 -1.592 2.111 119 HB VAL 18 HB VAL 18 10.901 -2.738 2.369 120 1HG1 VAL 18 1HG1 VAL 18 10.259 -4.331 0.559 121 2HG1 VAL 18 2HG1 VAL 18 9.492 -4.644 2.109 122 3HG1 VAL 18 3HG1 VAL 18 8.573 -3.856 0.823 123 1HG2 VAL 18 1HG2 VAL 18 10.838 -2.182 -0.187 124 2HG2 VAL 18 2HG2 VAL 18 9.528 -1.086 0.253 125 3HG2 VAL 18 3HG2 VAL 18 11.120 -0.891 0.981 126 H SER 19 H SER 19 10.299 -2.745 4.679 127 HA SER 19 HA SER 19 8.712 -5.083 5.283 128 1HB SER 19 1HB SER 19 11.123 -4.796 5.889 129 2HB SER 19 2HB SER 19 10.716 -3.471 6.980 130 HG SER 19 HG SER 19 9.214 -5.338 7.874 131 H ASN 20 H ASN 20 8.324 -1.725 6.384 132 HA ASN 20 HA ASN 20 6.339 -2.419 8.448 133 1HB ASN 20 1HB ASN 20 6.673 0.168 6.919 134 2HB ASN 20 2HB ASN 20 5.670 -0.074 8.289 135 1HD2 ASN 20 1HD2 ASN 20 9.061 0.181 7.272 136 2HD2 ASN 20 2HD2 ASN 20 9.548 0.634 8.895 137 H ILE 21 H ILE 21 6.242 -1.165 5.066 138 HA ILE 21 HA ILE 21 3.396 -0.962 4.988 139 HB ILE 21 HB ILE 21 4.911 -1.492 2.431 140 1HG1 ILE 21 1HG1 ILE 21 5.633 0.732 4.286 141 2HG1 ILE 21 2HG1 ILE 21 6.514 -0.139 3.048 142 1HG2 ILE 21 1HG2 ILE 21 3.327 0.099 1.492 143 2HG2 ILE 21 2HG2 ILE 21 2.473 -1.124 2.414 144 3HG2 ILE 21 3HG2 ILE 21 2.709 0.484 3.123 145 1HD1 ILE 21 1HD1 ILE 21 5.550 1.119 1.236 146 2HD1 ILE 21 2HD1 ILE 21 4.553 2.051 2.374 147 3HD1 ILE 21 3HD1 ILE 21 6.316 2.189 2.423 148 H GLU 22 H GLU 22 5.513 -3.553 3.812 149 HA GLU 22 HA GLU 22 3.542 -5.352 2.853 150 1HB GLU 22 1HB GLU 22 6.385 -5.659 3.907 151 2HB GLU 22 2HB GLU 22 5.509 -7.001 3.255 152 1HG GLU 22 1HG GLU 22 5.072 -5.141 1.242 153 2HG GLU 22 2HG GLU 22 6.583 -4.571 1.860 154 H SER 23 H SER 23 4.340 -4.519 6.136 155 HA SER 23 HA SER 23 2.833 -6.848 7.214 156 1HB SER 23 1HB SER 23 4.972 -6.243 8.317 157 2HB SER 23 2HB SER 23 4.393 -4.596 8.575 158 HG SER 23 HG SER 23 3.225 -6.966 9.671 159 H THR 24 H THR 24 2.765 -3.307 7.653 160 HA THR 24 HA THR 24 0.328 -3.076 8.993 161 HB THR 24 HB THR 24 1.691 -1.089 7.067 162 HG1 THR 24 HG1 THR 24 1.853 -1.336 9.877 163 1HG2 THR 24 1HG2 THR 24 0.634 0.651 8.509 164 2HG2 THR 24 2HG2 THR 24 -0.318 -0.615 9.320 165 3HG2 THR 24 3HG2 THR 24 -0.555 -0.276 7.591 166 H LEU 25 H LEU 25 0.827 -3.157 5.464 167 HA LEU 25 HA LEU 25 -2.049 -2.838 4.979 168 1HB LEU 25 1HB LEU 25 0.321 -3.612 3.268 169 2HB LEU 25 2HB LEU 25 -1.305 -3.734 2.656 170 HG LEU 25 HG LEU 25 0.163 -1.616 2.153 171 1HD1 LEU 25 1HD1 LEU 25 -2.786 -1.536 2.848 172 2HD1 LEU 25 2HD1 LEU 25 -2.042 -1.972 1.301 173 3HD1 LEU 25 3HD1 LEU 25 -1.945 -0.310 1.889 174 1HD2 LEU 25 1HD2 LEU 25 -0.281 0.306 3.626 175 2HD2 LEU 25 2HD2 LEU 25 0.647 -0.922 4.473 176 3HD2 LEU 25 3HD2 LEU 25 -1.098 -0.721 4.786 177 H SER 26 H SER 26 0.218 -5.684 5.042 178 HA SER 26 HA SER 26 -1.918 -7.457 4.157 179 1HB SER 26 1HB SER 26 0.494 -7.864 3.712 180 2HB SER 26 2HB SER 26 0.749 -8.170 5.425 181 HG SER 26 HG SER 26 -0.924 -9.798 5.206 182 H ALA 27 H ALA 27 -2.183 -5.865 6.764 183 HA ALA 27 HA ALA 27 -3.032 -8.081 8.592 184 1HB ALA 27 1HB ALA 27 -2.377 -5.150 9.183 185 2HB ALA 27 2HB ALA 27 -2.890 -6.366 10.374 186 3HB ALA 27 3HB ALA 27 -1.327 -6.536 9.543 187 H LEU 28 H LEU 28 -4.226 -5.909 6.231 188 HA LEU 28 HA LEU 28 -6.469 -4.920 7.744 189 1HB LEU 28 1HB LEU 28 -5.940 -4.935 4.751 190 2HB LEU 28 2HB LEU 28 -7.205 -4.015 5.551 191 HG LEU 28 HG LEU 28 -4.294 -3.588 6.312 192 1HD1 LEU 28 1HD1 LEU 28 -3.984 -1.986 4.654 193 2HD1 LEU 28 2HD1 LEU 28 -5.676 -1.936 4.179 194 3HD1 LEU 28 3HD1 LEU 28 -4.659 -3.344 3.766 195 1HD2 LEU 28 1HD2 LEU 28 -6.010 -2.609 7.773 196 2HD2 LEU 28 2HD2 LEU 28 -6.722 -1.773 6.370 197 3HD2 LEU 28 3HD2 LEU 28 -5.066 -1.375 6.917 198 H GLN 29 H GLN 29 -8.435 -5.914 8.008 199 HA GLN 29 HA GLN 29 -8.675 -8.651 7.471 200 1HB GLN 29 1HB GLN 29 -10.798 -6.578 8.160 201 2HB GLN 29 2HB GLN 29 -11.080 -8.324 8.191 202 1HG GLN 29 1HG GLN 29 -9.398 -8.656 9.915 203 2HG GLN 29 2HG GLN 29 -8.886 -6.965 9.827 204 1HE2 GLN 29 1HE2 GLN 29 -11.646 -9.068 10.808 205 2HE2 GLN 29 2HE2 GLN 29 -12.324 -7.802 11.837 206 H TYR 30 H TYR 30 -9.462 -6.123 5.210 207 HA TYR 30 HA TYR 30 -10.917 -8.039 3.481 208 1HB TYR 30 1HB TYR 30 -11.010 -6.072 1.912 209 2HB TYR 30 2HB TYR 30 -11.930 -5.979 3.400 210 HD1 TYR 30 HD1 TYR 30 -12.246 -3.706 3.722 211 HD2 TYR 30 HD2 TYR 30 -8.220 -5.083 2.914 212 HE1 TYR 30 HE1 TYR 30 -11.370 -1.447 4.190 213 HE2 TYR 30 HE2 TYR 30 -7.391 -2.842 3.327 214 HH TYR 30 HH TYR 30 -9.501 -0.125 4.301 215 H VAL 31 H VAL 31 -7.553 -7.511 3.997 216 HA VAL 31 HA VAL 31 -7.073 -7.529 1.071 217 HB VAL 31 HB VAL 31 -5.901 -5.737 2.367 218 1HG1 VAL 31 1HG1 VAL 31 -4.072 -7.963 3.143 219 2HG1 VAL 31 2HG1 VAL 31 -3.815 -6.193 3.176 220 3HG1 VAL 31 3HG1 VAL 31 -5.074 -6.914 4.207 221 1HG2 VAL 31 1HG2 VAL 31 -4.120 -7.661 0.762 222 2HG2 VAL 31 2HG2 VAL 31 -5.206 -6.449 0.024 223 3HG2 VAL 31 3HG2 VAL 31 -3.826 -5.952 1.008 224 H SER 32 H SER 32 -6.073 -9.163 0.014 225 HA SER 32 HA SER 32 -5.892 -11.727 1.548 226 1HB SER 32 1HB SER 32 -7.635 -11.313 -0.279 227 2HB SER 32 2HB SER 32 -6.288 -11.374 -1.434 228 HG SER 32 HG SER 32 -5.803 -13.461 -0.566 229 H SER 33 H SER 33 -3.911 -9.479 -0.172 230 HA SER 33 HA SER 33 -1.437 -10.781 0.261 231 1HB SER 33 1HB SER 33 -2.740 -11.269 -2.380 232 2HB SER 33 2HB SER 33 -1.016 -11.022 -2.357 233 HG SER 33 HG SER 33 -2.442 -12.851 -0.718 234 H ILE 34 H ILE 34 0.287 -9.753 -1.148 235 HA ILE 34 HA ILE 34 0.086 -7.092 -2.162 236 HB ILE 34 HB ILE 34 -0.413 -6.547 0.182 237 1HG1 ILE 34 1HG1 ILE 34 2.443 -5.662 -0.375 238 2HG1 ILE 34 2HG1 ILE 34 1.033 -5.027 -1.236 239 1HG2 ILE 34 1HG2 ILE 34 2.250 -7.857 0.895 240 2HG2 ILE 34 2HG2 ILE 34 1.221 -6.942 1.999 241 3HG2 ILE 34 3HG2 ILE 34 0.637 -8.462 1.334 242 1HD1 ILE 34 1HD1 ILE 34 1.620 -3.505 0.541 243 2HD1 ILE 34 2HD1 ILE 34 0.067 -4.279 0.919 244 3HD1 ILE 34 3HD1 ILE 34 1.550 -4.793 1.751 245 H VAL 35 H VAL 35 2.046 -6.354 -2.920 246 HA VAL 35 HA VAL 35 4.596 -7.649 -2.206 247 HB VAL 35 HB VAL 35 3.527 -7.494 -5.058 248 1HG1 VAL 35 1HG1 VAL 35 5.710 -6.414 -5.247 249 2HG1 VAL 35 2HG1 VAL 35 6.468 -7.690 -4.264 250 3HG1 VAL 35 3HG1 VAL 35 5.828 -8.050 -5.880 251 1HG2 VAL 35 1HG2 VAL 35 4.960 -9.599 -3.374 252 2HG2 VAL 35 2HG2 VAL 35 3.263 -9.673 -3.928 253 3HG2 VAL 35 3HG2 VAL 35 4.573 -9.839 -5.101 254 H VAL 36 H VAL 36 5.989 -6.128 -1.781 255 HA VAL 36 HA VAL 36 5.560 -3.395 -2.998 256 HB VAL 36 HB VAL 36 7.016 -4.291 -0.539 257 1HG1 VAL 36 1HG1 VAL 36 8.473 -2.564 -1.441 258 2HG1 VAL 36 2HG1 VAL 36 7.074 -1.516 -1.798 259 3HG1 VAL 36 3HG1 VAL 36 7.494 -1.900 -0.117 260 1HG2 VAL 36 1HG2 VAL 36 5.461 -2.761 0.551 261 2HG2 VAL 36 2HG2 VAL 36 4.880 -2.186 -1.022 262 3HG2 VAL 36 3HG2 VAL 36 4.508 -3.839 -0.503 263 H SER 37 H SER 37 6.929 -2.308 -4.136 264 HA SER 37 HA SER 37 8.997 -3.853 -5.593 265 1HB SER 37 1HB SER 37 7.734 -1.142 -6.098 266 2HB SER 37 2HB SER 37 8.899 -1.964 -7.152 267 HG SER 37 HG SER 37 6.503 -3.211 -6.316 268 H LEU 38 H LEU 38 10.458 -3.912 -3.911 269 HA LEU 38 HA LEU 38 11.705 -2.080 -2.353 270 1HB LEU 38 1HB LEU 38 12.526 -4.626 -3.771 271 2HB LEU 38 2HB LEU 38 13.795 -3.725 -2.972 272 HG LEU 38 HG LEU 38 11.268 -4.377 -1.463 273 1HD1 LEU 38 1HD1 LEU 38 13.730 -6.161 -1.744 274 2HD1 LEU 38 2HD1 LEU 38 12.086 -6.534 -2.307 275 3HD1 LEU 38 3HD1 LEU 38 12.411 -6.392 -0.572 276 1HD2 LEU 38 1HD2 LEU 38 14.164 -4.046 -0.559 277 2HD2 LEU 38 2HD2 LEU 38 12.712 -4.008 0.459 278 3HD2 LEU 38 3HD2 LEU 38 13.051 -2.678 -0.680 279 H GLU 39 H GLU 39 12.547 -2.541 -5.761 280 HA GLU 39 HA GLU 39 14.614 -0.520 -5.543 281 1HB GLU 39 1HB GLU 39 13.617 -1.908 -8.054 282 2HB GLU 39 2HB GLU 39 15.072 -0.944 -7.875 283 1HG GLU 39 1HG GLU 39 14.497 -3.735 -6.910 284 2HG GLU 39 2HG GLU 39 15.912 -3.134 -7.774 285 H ASN 40 H ASN 40 11.423 -0.274 -5.789 286 HA ASN 40 HA ASN 40 11.365 2.337 -7.207 287 1HB ASN 40 1HB ASN 40 9.094 0.359 -6.925 288 2HB ASN 40 2HB ASN 40 9.080 1.883 -7.803 289 1HD2 ASN 40 1HD2 ASN 40 11.964 1.262 -8.837 290 2HD2 ASN 40 2HD2 ASN 40 11.609 0.155 -10.129 291 H ARG 41 H ARG 41 8.880 3.185 -6.203 292 HA ARG 41 HA ARG 41 9.004 2.843 -3.251 293 1HB ARG 41 1HB ARG 41 8.660 5.536 -4.646 294 2HB ARG 41 2HB ARG 41 8.273 5.204 -2.963 295 1HG ARG 41 1HG ARG 41 10.343 6.104 -2.746 296 2HG ARG 41 2HG ARG 41 10.688 4.374 -2.662 297 1HD ARG 41 1HD ARG 41 11.335 4.500 -5.134 298 2HD ARG 41 2HD ARG 41 10.983 6.209 -5.067 299 HE ARG 41 HE ARG 41 12.955 6.580 -3.891 300 1HH1 ARG 41 1HH1 ARG 41 12.534 3.024 -3.969 301 2HH1 ARG 41 2HH1 ARG 41 14.231 2.745 -3.871 302 1HH2 ARG 41 1HH2 ARG 41 15.104 6.130 -3.672 303 2HH2 ARG 41 2HH2 ARG 41 15.668 4.482 -3.644 304 H SER 42 H SER 42 7.536 1.209 -4.863 305 HA SER 42 HA SER 42 4.755 2.182 -4.471 306 1HB SER 42 1HB SER 42 4.301 0.926 -6.731 307 2HB SER 42 2HB SER 42 4.842 2.596 -6.702 308 HG SER 42 HG SER 42 6.140 0.370 -7.671 309 H ALA 43 H ALA 43 3.155 0.678 -4.344 310 HA ALA 43 HA ALA 43 3.917 -2.123 -3.597 311 1HB ALA 43 1HB ALA 43 2.293 -1.940 -1.779 312 2HB ALA 43 2HB ALA 43 3.424 -0.582 -1.613 313 3HB ALA 43 3HB ALA 43 1.812 -0.308 -2.290 314 H ILE 44 H ILE 44 2.612 -3.648 -4.352 315 HA ILE 44 HA ILE 44 0.123 -2.934 -5.864 316 HB ILE 44 HB ILE 44 2.048 -5.261 -6.287 317 1HG1 ILE 44 1HG1 ILE 44 1.248 -2.976 -8.165 318 2HG1 ILE 44 2HG1 ILE 44 2.747 -3.001 -7.243 319 1HG2 ILE 44 1HG2 ILE 44 -0.617 -4.608 -7.650 320 2HG2 ILE 44 2HG2 ILE 44 0.469 -5.950 -8.080 321 3HG2 ILE 44 3HG2 ILE 44 -0.333 -5.949 -6.519 322 1HD1 ILE 44 1HD1 ILE 44 3.236 -3.708 -9.479 323 2HD1 ILE 44 2HD1 ILE 44 3.412 -5.113 -8.410 324 3HD1 ILE 44 3HD1 ILE 44 1.973 -4.948 -9.447 325 H VAL 45 H VAL 45 -1.562 -3.445 -4.683 326 HA VAL 45 HA VAL 45 -1.275 -5.277 -2.313 327 HB VAL 45 HB VAL 45 -3.032 -2.833 -2.628 328 1HG1 VAL 45 1HG1 VAL 45 -3.326 -3.084 -0.163 329 2HG1 VAL 45 2HG1 VAL 45 -3.886 -4.519 -1.017 330 3HG1 VAL 45 3HG1 VAL 45 -2.310 -4.538 -0.192 331 1HG2 VAL 45 1HG2 VAL 45 -0.710 -2.050 -2.552 332 2HG2 VAL 45 2HG2 VAL 45 -1.532 -1.675 -1.040 333 3HG2 VAL 45 3HG2 VAL 45 -0.400 -3.042 -1.117 334 H VAL 46 H VAL 46 -2.759 -6.925 -2.229 335 HA VAL 46 HA VAL 46 -4.766 -7.089 -4.444 336 HB VAL 46 HB VAL 46 -3.157 -9.239 -3.031 337 1HG1 VAL 46 1HG1 VAL 46 -4.843 -9.543 -5.529 338 2HG1 VAL 46 2HG1 VAL 46 -3.883 -10.798 -4.700 339 3HG1 VAL 46 3HG1 VAL 46 -5.305 -10.111 -3.908 340 1HG2 VAL 46 1HG2 VAL 46 -1.882 -9.508 -5.135 341 2HG2 VAL 46 2HG2 VAL 46 -2.641 -8.033 -5.763 342 3HG2 VAL 46 3HG2 VAL 46 -1.591 -7.966 -4.336 343 H TYR 47 H TYR 47 -6.779 -6.762 -3.560 344 HA TYR 47 HA TYR 47 -7.305 -7.748 -0.792 345 1HB TYR 47 1HB TYR 47 -8.443 -5.751 -0.234 346 2HB TYR 47 2HB TYR 47 -6.891 -5.293 -0.884 347 HD1 TYR 47 HD1 TYR 47 -10.497 -4.999 -1.277 348 HD2 TYR 47 HD2 TYR 47 -6.737 -4.454 -3.307 349 HE1 TYR 47 HE1 TYR 47 -11.597 -3.511 -2.940 350 HE2 TYR 47 HE2 TYR 47 -7.824 -2.900 -4.912 351 HH TYR 47 HH TYR 47 -11.295 -2.019 -4.619 352 H ASN 48 H ASN 48 -9.443 -8.414 -0.243 353 HA ASN 48 HA ASN 48 -10.771 -9.545 -2.654 354 1HB ASN 48 1HB ASN 48 -9.942 -11.095 -0.867 355 2HB ASN 48 2HB ASN 48 -11.116 -10.385 0.247 356 1HD2 ASN 48 1HD2 ASN 48 -10.646 -12.636 -2.403 357 2HD2 ASN 48 2HD2 ASN 48 -12.333 -13.041 -2.606 358 H ALA 49 H ALA 49 -12.353 -8.312 -3.424 359 HA ALA 49 HA ALA 49 -14.745 -7.674 -2.012 360 1HB ALA 49 1HB ALA 49 -13.484 -5.937 -0.863 361 2HB ALA 49 2HB ALA 49 -12.687 -5.470 -2.384 362 3HB ALA 49 3HB ALA 49 -14.418 -5.140 -2.135 363 H SER 50 H SER 50 -16.318 -7.520 -3.589 364 HA SER 50 HA SER 50 -15.592 -6.812 -6.379 365 1HB SER 50 1HB SER 50 -17.225 -8.632 -5.927 366 2HB SER 50 2HB SER 50 -18.291 -7.461 -5.122 367 HG SER 50 HG SER 50 -18.029 -6.274 -7.270 368 H SER 51 H SER 51 -16.422 -5.055 -3.561 369 HA SER 51 HA SER 51 -16.991 -2.633 -5.087 370 1HB SER 51 1HB SER 51 -19.194 -3.912 -4.904 371 2HB SER 51 2HB SER 51 -19.151 -3.516 -3.173 372 HG SER 51 HG SER 51 -20.200 -1.842 -4.169 373 H VAL 52 H VAL 52 -14.806 -2.736 -3.809 374 HA VAL 52 HA VAL 52 -15.193 -0.847 -1.579 375 HB VAL 52 HB VAL 52 -13.235 -3.168 -1.397 376 1HG1 VAL 52 1HG1 VAL 52 -13.464 -0.703 0.377 377 2HG1 VAL 52 2HG1 VAL 52 -12.529 -2.159 0.781 378 3HG1 VAL 52 3HG1 VAL 52 -12.066 -1.187 -0.613 379 1HG2 VAL 52 1HG2 VAL 52 -15.505 -2.328 0.466 380 2HG2 VAL 52 2HG2 VAL 52 -15.520 -3.746 -0.602 381 3HG2 VAL 52 3HG2 VAL 52 -14.377 -3.674 0.741 382 H THR 53 H THR 53 -13.756 0.793 -1.643 383 HA THR 53 HA THR 53 -12.624 1.266 -4.276 384 HB THR 53 HB THR 53 -13.990 2.972 -3.497 385 HG1 THR 53 HG1 THR 53 -12.617 4.686 -3.472 386 1HG2 THR 53 1HG2 THR 53 -14.152 2.629 -1.138 387 2HG2 THR 53 2HG2 THR 53 -13.498 4.251 -1.367 388 3HG2 THR 53 3HG2 THR 53 -12.420 2.914 -0.899 389 HA PRO 54 HA PRO 54 -8.301 0.700 -3.124 390 1HB PRO 54 1HB PRO 54 -7.076 2.314 -4.976 391 2HB PRO 54 2HB PRO 54 -7.816 0.735 -5.377 392 1HG PRO 54 1HG PRO 54 -9.078 3.478 -5.654 393 2HG PRO 54 2HG PRO 54 -8.957 2.184 -6.895 394 1HD PRO 54 1HD PRO 54 -11.191 2.459 -5.420 395 2HD PRO 54 2HD PRO 54 -10.547 0.827 -5.754 396 H GLU 55 H GLU 55 -10.041 3.753 -2.914 397 HA GLU 55 HA GLU 55 -8.011 5.488 -2.061 398 1HB GLU 55 1HB GLU 55 -9.716 6.893 -1.652 399 2HB GLU 55 2HB GLU 55 -10.665 5.638 -2.388 400 1HG GLU 55 1HG GLU 55 -11.934 6.304 -0.593 401 2HG GLU 55 2HG GLU 55 -11.279 4.735 -0.160 402 H SER 56 H SER 56 -9.620 2.834 -0.193 403 HA SER 56 HA SER 56 -8.676 4.044 2.166 404 1HB SER 56 1HB SER 56 -9.914 1.316 1.883 405 2HB SER 56 2HB SER 56 -9.814 2.332 3.308 406 HG SER 56 HG SER 56 -10.966 4.004 2.034 407 H LEU 57 H LEU 57 -7.432 1.618 -0.024 408 HA LEU 57 HA LEU 57 -5.488 0.410 1.827 409 1HB LEU 57 1HB LEU 57 -5.537 0.570 -1.197 410 2HB LEU 57 2HB LEU 57 -4.359 -0.320 -0.248 411 HG LEU 57 HG LEU 57 -7.321 -0.954 -0.572 412 1HD1 LEU 57 1HD1 LEU 57 -6.299 -1.704 -2.516 413 2HD1 LEU 57 2HD1 LEU 57 -5.962 -3.123 -1.482 414 3HD1 LEU 57 3HD1 LEU 57 -4.719 -1.897 -1.755 415 1HD2 LEU 57 1HD2 LEU 57 -5.269 -2.594 1.013 416 2HD2 LEU 57 2HD2 LEU 57 -6.944 -3.046 0.652 417 3HD2 LEU 57 3HD2 LEU 57 -6.608 -1.646 1.696 418 H ARG 58 H ARG 58 -5.510 3.106 -0.576 419 HA ARG 58 HA ARG 58 -2.906 4.114 -0.243 420 1HB ARG 58 1HB ARG 58 -4.364 5.169 -1.796 421 2HB ARG 58 2HB ARG 58 -5.620 5.363 -0.669 422 1HG ARG 58 1HG ARG 58 -4.125 7.037 0.571 423 2HG ARG 58 2HG ARG 58 -3.066 6.951 -0.842 424 1HD ARG 58 1HD ARG 58 -4.410 8.833 -1.172 425 2HD ARG 58 2HD ARG 58 -5.103 7.606 -2.225 426 HE ARG 58 HE ARG 58 -6.947 7.303 -0.608 427 1HH1 ARG 58 1HH1 ARG 58 -4.864 9.846 0.598 428 2HH1 ARG 58 2HH1 ARG 58 -6.155 10.897 1.007 429 1HH2 ARG 58 1HH2 ARG 58 -8.643 8.591 0.231 430 2HH2 ARG 58 2HH2 ARG 58 -8.285 10.242 0.654 431 H LYS 59 H LYS 59 -5.823 4.975 1.684 432 HA LYS 59 HA LYS 59 -4.715 6.320 3.814 433 1HB LYS 59 1HB LYS 59 -7.123 4.738 3.299 434 2HB LYS 59 2HB LYS 59 -6.619 4.575 4.959 435 1HG LYS 59 1HG LYS 59 -8.092 6.360 4.882 436 2HG LYS 59 2HG LYS 59 -6.488 7.099 5.068 437 1HD LYS 59 1HD LYS 59 -6.430 7.737 2.715 438 2HD LYS 59 2HD LYS 59 -7.814 6.738 2.356 439 1HE LYS 59 1HE LYS 59 -8.014 8.983 4.396 440 2HE LYS 59 2HE LYS 59 -8.266 9.265 2.667 441 1HZ LYS 59 1HZ LYS 59 -9.955 7.554 2.657 442 2HZ LYS 59 2HZ LYS 59 -10.392 8.748 3.695 443 3HZ LYS 59 3HZ LYS 59 -9.813 7.291 4.243 444 H ALA 60 H ALA 60 -4.943 2.675 3.637 445 HA ALA 60 HA ALA 60 -3.742 2.290 6.210 446 1HB ALA 60 1HB ALA 60 -5.062 0.595 4.985 447 2HB ALA 60 2HB ALA 60 -3.755 0.451 3.786 448 3HB ALA 60 3HB ALA 60 -3.462 0.000 5.482 449 H ILE 61 H ILE 61 -2.218 2.907 3.068 450 HA ILE 61 HA ILE 61 0.481 2.483 4.128 451 HB ILE 61 HB ILE 61 -0.287 4.019 1.608 452 1HG1 ILE 61 1HG1 ILE 61 0.272 1.045 1.702 453 2HG1 ILE 61 2HG1 ILE 61 -1.287 1.779 1.467 454 1HG2 ILE 61 1HG2 ILE 61 2.269 2.787 2.673 455 2HG2 ILE 61 2HG2 ILE 61 2.081 3.135 0.949 456 3HG2 ILE 61 3HG2 ILE 61 1.950 4.440 2.091 457 1HD1 ILE 61 1HD1 ILE 61 1.017 1.920 -0.477 458 2HD1 ILE 61 2HD1 ILE 61 -0.554 1.139 -0.671 459 3HD1 ILE 61 3HD1 ILE 61 -0.456 2.910 -0.600 460 H GLU 62 H GLU 62 -1.492 5.404 3.376 461 HA GLU 62 HA GLU 62 0.337 7.349 4.257 462 1HB GLU 62 1HB GLU 62 -2.680 7.300 4.670 463 2HB GLU 62 2HB GLU 62 -1.598 8.695 4.824 464 1HG GLU 62 1HG GLU 62 -1.143 8.795 2.510 465 2HG GLU 62 2HG GLU 62 -1.900 7.234 2.202 466 H ALA 63 H ALA 63 -1.684 5.099 6.140 467 HA ALA 63 HA ALA 63 -1.174 6.427 8.674 468 1HB ALA 63 1HB ALA 63 -2.491 3.756 8.011 469 2HB ALA 63 2HB ALA 63 -2.594 4.614 9.563 470 3HB ALA 63 3HB ALA 63 -3.338 5.322 8.117 471 H VAL 64 H VAL 64 0.998 4.820 6.965 472 HA VAL 64 HA VAL 64 2.160 3.416 9.334 473 HB VAL 64 HB VAL 64 1.943 2.272 6.919 474 1HG1 VAL 64 1HG1 VAL 64 4.709 3.332 6.618 475 2HG1 VAL 64 2HG1 VAL 64 3.776 2.191 5.610 476 3HG1 VAL 64 3HG1 VAL 64 3.261 3.889 5.752 477 1HG2 VAL 64 1HG2 VAL 64 3.770 0.794 7.640 478 2HG2 VAL 64 2HG2 VAL 64 4.503 2.111 8.606 479 3HG2 VAL 64 3HG2 VAL 64 2.975 1.363 9.124 480 H SER 65 H SER 65 2.704 6.084 7.038 481 HA SER 65 HA SER 65 4.356 7.251 9.130 482 1HB SER 65 1HB SER 65 5.755 7.621 6.569 483 2HB SER 65 2HB SER 65 6.276 7.413 8.242 484 HG SER 65 HG SER 65 5.594 5.144 7.943 485 HA PRO 66 HA PRO 66 1.113 9.797 7.036 486 1HB PRO 66 1HB PRO 66 0.006 10.838 9.394 487 2HB PRO 66 2HB PRO 66 -0.529 9.362 8.540 488 1HG PRO 66 1HG PRO 66 1.396 9.577 10.875 489 2HG PRO 66 2HG PRO 66 0.020 8.438 10.665 490 1HD PRO 66 1HD PRO 66 2.489 7.562 10.096 491 2HD PRO 66 2HD PRO 66 1.197 7.220 8.979 492 H GLY 67 H GLY 67 1.010 11.950 6.603 493 1HA GLY 67 1HA GLY 67 1.659 14.201 6.551 494 2HA GLY 67 2HA GLY 67 2.699 13.929 7.975 495 H LEU 68 H LEU 68 4.043 11.624 6.737 496 HA LEU 68 HA LEU 68 6.016 13.049 5.031 497 1HB LEU 68 1HB LEU 68 6.829 12.033 7.021 498 2HB LEU 68 2HB LEU 68 5.983 10.527 6.716 499 HG LEU 68 HG LEU 68 7.467 9.928 4.929 500 1HD1 LEU 68 1HD1 LEU 68 8.883 12.587 5.396 501 2HD1 LEU 68 2HD1 LEU 68 8.001 12.112 3.924 502 3HD1 LEU 68 3HD1 LEU 68 9.474 11.251 4.374 503 1HD2 LEU 68 1HD2 LEU 68 8.950 10.975 7.374 504 2HD2 LEU 68 2HD2 LEU 68 9.551 9.733 6.255 505 3HD2 LEU 68 3HD2 LEU 68 8.110 9.412 7.243 506 H TYR 69 H TYR 69 4.014 10.047 5.022 507 HA TYR 69 HA TYR 69 4.891 9.273 2.415 508 1HB TYR 69 1HB TYR 69 2.666 8.349 4.257 509 2HB TYR 69 2HB TYR 69 2.769 7.798 2.603 510 HD1 TYR 69 HD1 TYR 69 6.097 8.350 4.024 511 HD2 TYR 69 HD2 TYR 69 2.867 5.536 3.582 512 HE1 TYR 69 HE1 TYR 69 7.601 6.517 4.615 513 HE2 TYR 69 HE2 TYR 69 4.384 3.691 3.899 514 HH TYR 69 HH TYR 69 7.653 4.298 5.197 515 H ARG 70 H ARG 70 4.650 10.481 0.699 516 HA ARG 70 HA ARG 70 2.121 11.706 -0.105 517 1HB ARG 70 1HB ARG 70 4.830 11.274 -1.288 518 2HB ARG 70 2HB ARG 70 3.448 11.801 -2.247 519 1HG ARG 70 1HG ARG 70 3.137 13.699 -0.628 520 2HG ARG 70 2HG ARG 70 4.739 13.293 0.080 521 1HD ARG 70 1HD ARG 70 5.684 13.452 -2.191 522 2HD ARG 70 2HD ARG 70 4.034 13.755 -2.817 523 HE ARG 70 HE ARG 70 4.582 15.736 -0.902 524 1HH1 ARG 70 1HH1 ARG 70 6.172 14.821 -3.957 525 2HH1 ARG 70 2HH1 ARG 70 6.639 16.446 -4.319 526 1HH2 ARG 70 1HH2 ARG 70 5.312 17.800 -1.386 527 2HH2 ARG 70 2HH2 ARG 70 6.208 18.089 -2.856 528 H VAL 71 H VAL 71 0.875 9.815 0.097 529 HA VAL 71 HA VAL 71 1.427 7.504 -1.674 530 HB VAL 71 HB VAL 71 -1.050 7.729 0.045 531 1HG1 VAL 71 1HG1 VAL 71 0.463 5.346 -1.146 532 2HG1 VAL 71 2HG1 VAL 71 -0.998 5.264 -0.141 533 3HG1 VAL 71 3HG1 VAL 71 -1.085 5.974 -1.750 534 1HG2 VAL 71 1HG2 VAL 71 0.284 6.263 1.631 535 2HG2 VAL 71 2HG2 VAL 71 1.734 6.689 0.709 536 3HG2 VAL 71 3HG2 VAL 71 0.808 7.942 1.555 537 H SER 72 H SER 72 0.768 7.272 -3.645 538 HA SER 72 HA SER 72 -1.584 8.824 -4.672 539 1HB SER 72 1HB SER 72 0.781 8.276 -6.411 540 2HB SER 72 2HB SER 72 -0.260 9.687 -6.324 541 HG SER 72 HG SER 72 1.850 9.009 -4.526 542 H ILE 73 H ILE 73 -2.904 7.656 -6.150 543 HA ILE 73 HA ILE 73 -2.304 4.767 -6.638 544 HB ILE 73 HB ILE 73 -4.568 6.573 -7.609 545 1HG1 ILE 73 1HG1 ILE 73 -4.512 4.417 -5.462 546 2HG1 ILE 73 2HG1 ILE 73 -4.597 6.146 -5.144 547 1HG2 ILE 73 1HG2 ILE 73 -4.232 3.542 -7.846 548 2HG2 ILE 73 2HG2 ILE 73 -5.635 4.483 -8.390 549 3HG2 ILE 73 3HG2 ILE 73 -4.092 4.703 -9.182 550 1HD1 ILE 73 1HD1 ILE 73 -6.806 6.228 -6.326 551 2HD1 ILE 73 2HD1 ILE 73 -6.760 4.451 -6.436 552 3HD1 ILE 73 3HD1 ILE 73 -6.789 5.235 -4.853 553 H THR 74 H THR 74 -1.111 4.099 -8.298 554 HA THR 74 HA THR 74 -0.805 5.916 -10.636 555 HB THR 74 HB THR 74 1.252 5.780 -9.446 556 HG1 THR 74 HG1 THR 74 1.197 5.721 -11.741 557 1HG2 THR 74 1HG2 THR 74 2.610 3.784 -9.243 558 2HG2 THR 74 2HG2 THR 74 1.309 2.778 -9.882 559 3HG2 THR 74 3HG2 THR 74 1.115 3.591 -8.302 560 H SER 75 H SER 75 -2.169 5.282 -12.148 561 HA SER 75 HA SER 75 -2.383 2.414 -12.919 562 1HB SER 75 1HB SER 75 -4.672 4.328 -12.278 563 2HB SER 75 2HB SER 75 -4.876 2.764 -13.035 564 HG SER 75 HG SER 75 -4.558 1.755 -11.220 565 H GLU 76 H GLU 76 -3.970 2.319 -14.843 566 HA GLU 76 HA GLU 76 -3.358 4.221 -16.929 567 1HB GLU 76 1HB GLU 76 -4.329 2.713 -18.297 568 2HB GLU 76 2HB GLU 76 -3.564 1.653 -17.147 569 1HG GLU 76 1HG GLU 76 -6.476 2.468 -17.263 570 2HG GLU 76 2HG GLU 76 -5.834 0.926 -17.820 571 H VAL 77 H VAL 77 -4.624 5.816 -17.336 572 HA VAL 77 HA VAL 77 -7.360 6.095 -16.156 573 HB VAL 77 HB VAL 77 -6.998 8.467 -15.853 574 1HG1 VAL 77 1HG1 VAL 77 -5.466 8.359 -13.929 575 2HG1 VAL 77 2HG1 VAL 77 -6.442 6.882 -13.991 576 3HG1 VAL 77 3HG1 VAL 77 -4.749 6.841 -14.502 577 1HG2 VAL 77 1HG2 VAL 77 -4.759 9.490 -16.030 578 2HG2 VAL 77 2HG2 VAL 77 -4.114 7.997 -16.737 579 3HG2 VAL 77 3HG2 VAL 77 -5.345 8.949 -17.604 Start of MODEL 18 1 1H ASN 1 1HT ASN 1 -14.494 -13.848 -4.312 2 HA ASN 1 HA ASN 1 -12.302 -14.230 -6.293 3 1HB ASN 1 1HB ASN 1 -13.255 -12.717 -7.786 4 2HB ASN 1 2HB ASN 1 -14.612 -13.736 -7.311 5 1HD2 ASN 1 1HD2 ASN 1 -13.094 -10.523 -6.954 6 2HD2 ASN 1 2HD2 ASN 1 -14.449 -9.760 -6.187 7 H ASP 2 H ASP 2 -10.695 -12.656 -6.389 8 HA ASP 2 HA ASP 2 -10.468 -10.764 -4.193 9 1HB ASP 2 1HB ASP 2 -8.168 -10.551 -5.003 10 2HB ASP 2 2HB ASP 2 -8.612 -12.219 -4.681 11 H SER 3 H SER 3 -9.366 -8.738 -4.755 12 HA SER 3 HA SER 3 -9.977 -7.345 -7.248 13 1HB SER 3 1HB SER 3 -11.840 -6.744 -5.713 14 2HB SER 3 2HB SER 3 -10.680 -6.204 -4.500 15 HG SER 3 HG SER 3 -11.729 -4.615 -5.984 16 H THR 4 H THR 4 -8.738 -5.042 -6.867 17 HA THR 4 HA THR 4 -6.195 -5.342 -5.469 18 HB THR 4 HB THR 4 -6.424 -6.155 -8.360 19 HG1 THR 4 HG1 THR 4 -6.184 -7.493 -6.373 20 1HG2 THR 4 1HG2 THR 4 -3.980 -6.048 -8.626 21 2HG2 THR 4 2HG2 THR 4 -3.827 -5.137 -7.114 22 3HG2 THR 4 3HG2 THR 4 -4.663 -4.422 -8.524 23 H ALA 5 H ALA 5 -4.760 -3.660 -5.755 24 HA ALA 5 HA ALA 5 -5.351 -1.464 -7.494 25 1HB ALA 5 1HB ALA 5 -6.852 -0.802 -5.709 26 2HB ALA 5 2HB ALA 5 -5.600 -1.091 -4.484 27 3HB ALA 5 3HB ALA 5 -5.428 0.262 -5.623 28 H THR 6 H THR 6 -3.637 0.240 -7.347 29 HA THR 6 HA THR 6 -1.035 -0.714 -6.250 30 HB THR 6 HB THR 6 -1.432 0.697 -8.899 31 HG1 THR 6 HG1 THR 6 -0.729 -1.341 -9.706 32 1HG2 THR 6 1HG2 THR 6 0.973 0.085 -9.235 33 2HG2 THR 6 2HG2 THR 6 1.028 -0.469 -7.541 34 3HG2 THR 6 3HG2 THR 6 0.720 1.241 -7.921 35 H PHE 7 H PHE 7 0.210 0.749 -5.359 36 HA PHE 7 HA PHE 7 -0.628 3.599 -5.286 37 1HB PHE 7 1HB PHE 7 0.110 2.181 -2.735 38 2HB PHE 7 2HB PHE 7 -0.616 3.750 -2.965 39 HD1 PHE 7 HD1 PHE 7 -1.512 0.026 -3.206 40 HD2 PHE 7 HD2 PHE 7 -2.957 4.132 -3.066 41 HE1 PHE 7 HE1 PHE 7 -3.776 -0.762 -3.154 42 HE2 PHE 7 HE2 PHE 7 -5.261 3.270 -3.035 43 HZ PHE 7 HZ PHE 7 -5.697 0.838 -3.069 44 H ILE 8 H ILE 8 0.992 5.038 -5.038 45 HA ILE 8 HA ILE 8 3.731 4.031 -4.507 46 HB ILE 8 HB ILE 8 3.134 4.665 -6.967 47 1HG1 ILE 8 1HG1 ILE 8 5.435 6.306 -5.836 48 2HG1 ILE 8 2HG1 ILE 8 5.432 4.546 -5.749 49 1HG2 ILE 8 1HG2 ILE 8 1.850 6.716 -6.424 50 2HG2 ILE 8 2HG2 ILE 8 3.337 7.500 -5.844 51 3HG2 ILE 8 3HG2 ILE 8 3.174 7.039 -7.556 52 1HD1 ILE 8 1HD1 ILE 8 5.226 6.065 -8.347 53 2HD1 ILE 8 2HD1 ILE 8 6.674 5.264 -7.690 54 3HD1 ILE 8 3HD1 ILE 8 5.256 4.290 -8.120 55 H ILE 9 H ILE 9 4.974 5.177 -3.282 56 HA ILE 9 HA ILE 9 3.700 7.345 -1.700 57 HB ILE 9 HB ILE 9 6.104 5.608 -0.976 58 1HG1 ILE 9 1HG1 ILE 9 4.348 4.449 0.603 59 2HG1 ILE 9 2HG1 ILE 9 3.158 4.955 -0.478 60 1HG2 ILE 9 1HG2 ILE 9 5.939 7.626 0.376 61 2HG2 ILE 9 2HG2 ILE 9 4.221 7.317 0.704 62 3HG2 ILE 9 3HG2 ILE 9 5.488 6.248 1.344 63 1HD1 ILE 9 1HD1 ILE 9 4.272 3.424 -2.142 64 2HD1 ILE 9 2HD1 ILE 9 5.671 3.279 -1.005 65 3HD1 ILE 9 3HD1 ILE 9 4.069 2.603 -0.608 66 H ASP 10 H ASP 10 5.242 9.070 -1.102 67 HA ASP 10 HA ASP 10 7.852 9.123 -2.452 68 1HB ASP 10 1HB ASP 10 5.706 10.522 -3.582 69 2HB ASP 10 2HB ASP 10 6.423 11.729 -2.583 70 H GLY 11 H GLY 11 9.371 9.960 -1.102 71 1HA GLY 11 1HA GLY 11 10.249 11.413 0.612 72 2HA GLY 11 2HA GLY 11 8.602 11.625 1.268 73 H MET 12 H MET 12 8.910 8.479 0.472 74 HA MET 12 HA MET 12 8.851 7.476 3.095 75 1HB MET 12 1HB MET 12 8.675 5.302 1.985 76 2HB MET 12 2HB MET 12 7.769 6.443 1.111 77 1HG MET 12 1HG MET 12 10.439 5.278 0.365 78 2HG MET 12 2HG MET 12 8.915 4.986 -0.389 79 1HE MET 12 1HE MET 12 11.949 7.401 -2.246 80 2HE MET 12 2HE MET 12 12.169 6.955 -0.546 81 3HE MET 12 3HE MET 12 11.746 5.707 -1.748 82 H HIS 13 H HIS 13 10.166 5.915 4.087 83 HA HIS 13 HA HIS 13 12.960 6.391 4.202 84 1HB HIS 13 1HB HIS 13 11.385 4.053 5.291 85 2HB HIS 13 2HB HIS 13 13.003 4.530 5.784 86 HD1 HIS 13 HD1 HIS 13 11.260 4.392 8.154 87 HD2 HIS 13 HD2 HIS 13 11.371 7.784 5.668 88 HE1 HIS 13 HE1 HIS 13 10.418 6.352 9.548 89 H CYS 14 H CYS 14 12.480 5.738 1.534 90 HA CYS 14 HA CYS 14 13.324 4.702 -0.287 91 1HB CYS 14 1HB CYS 14 15.594 4.695 1.702 92 2HB CYS 14 2HB CYS 14 15.812 4.402 -0.038 93 HG CYS 14 HG CYS 14 16.430 6.935 0.501 94 H LYS 15 H LYS 15 14.476 2.483 2.251 95 HA LYS 15 HA LYS 15 13.700 0.133 0.535 96 1HB LYS 15 1HB LYS 15 16.308 0.492 2.088 97 2HB LYS 15 2HB LYS 15 15.801 -1.011 1.329 98 1HG LYS 15 1HG LYS 15 16.149 1.489 -0.379 99 2HG LYS 15 2HG LYS 15 17.548 0.625 0.210 100 1HD LYS 15 1HD LYS 15 17.077 -0.108 -2.022 101 2HD LYS 15 2HD LYS 15 16.856 -1.431 -0.889 102 1HE LYS 15 1HE LYS 15 15.107 -1.580 -2.523 103 2HE LYS 15 2HE LYS 15 14.366 -1.120 -1.022 104 1HZ LYS 15 1HZ LYS 15 14.172 1.163 -1.845 105 2HZ LYS 15 2HZ LYS 15 13.554 0.133 -2.929 106 3HZ LYS 15 3HZ LYS 15 14.988 0.783 -3.243 107 H SER 16 H SER 16 14.736 1.108 3.903 108 HA SER 16 HA SER 16 13.337 -0.939 5.277 109 1HB SER 16 1HB SER 16 13.462 1.917 6.265 110 2HB SER 16 2HB SER 16 13.638 0.404 7.173 111 HG SER 16 HG SER 16 15.693 1.316 6.920 112 H CYS 17 H CYS 17 11.955 1.965 3.659 113 HA CYS 17 HA CYS 17 9.422 2.023 4.881 114 1HB CYS 17 1HB CYS 17 8.754 3.071 2.723 115 2HB CYS 17 2HB CYS 17 10.291 3.668 3.288 116 HG CYS 17 HG CYS 17 9.560 1.591 0.818 117 H VAL 18 H VAL 18 10.591 -0.128 2.308 118 HA VAL 18 HA VAL 18 8.193 -1.244 1.465 119 HB VAL 18 HB VAL 18 11.052 -2.333 1.616 120 1HG1 VAL 18 1HG1 VAL 18 10.075 -4.370 1.396 121 2HG1 VAL 18 2HG1 VAL 18 8.662 -3.762 0.544 122 3HG1 VAL 18 3HG1 VAL 18 10.211 -3.908 -0.305 123 1HG2 VAL 18 1HG2 VAL 18 11.087 -1.793 -0.811 124 2HG2 VAL 18 2HG2 VAL 18 9.519 -0.986 -0.619 125 3HG2 VAL 18 3HG2 VAL 18 10.940 -0.404 0.254 126 H SER 19 H SER 19 10.345 -2.341 4.068 127 HA SER 19 HA SER 19 9.010 -4.853 4.607 128 1HB SER 19 1HB SER 19 11.380 -4.007 5.315 129 2HB SER 19 2HB SER 19 10.583 -3.059 6.555 130 HG SER 19 HG SER 19 9.645 -5.166 7.272 131 H ASN 20 H ASN 20 8.628 -1.580 6.062 132 HA ASN 20 HA ASN 20 6.550 -2.307 7.915 133 1HB ASN 20 1HB ASN 20 6.947 0.268 6.407 134 2HB ASN 20 2HB ASN 20 5.991 0.098 7.832 135 1HD2 ASN 20 1HD2 ASN 20 8.468 1.691 7.103 136 2HD2 ASN 20 2HD2 ASN 20 9.609 1.294 8.384 137 H ILE 21 H ILE 21 6.469 -1.247 4.463 138 HA ILE 21 HA ILE 21 3.602 -0.825 4.498 139 HB ILE 21 HB ILE 21 5.188 -1.422 1.984 140 1HG1 ILE 21 1HG1 ILE 21 5.706 0.837 3.817 141 2HG1 ILE 21 2HG1 ILE 21 6.581 0.169 2.452 142 1HG2 ILE 21 1HG2 ILE 21 2.789 -1.352 1.764 143 2HG2 ILE 21 2HG2 ILE 21 2.706 0.226 2.578 144 3HG2 ILE 21 3HG2 ILE 21 3.469 0.052 0.967 145 1HD1 ILE 21 1HD1 ILE 21 6.117 2.476 2.035 146 2HD1 ILE 21 2HD1 ILE 21 5.398 1.405 0.828 147 3HD1 ILE 21 3HD1 ILE 21 4.373 2.154 2.079 148 H GLU 22 H GLU 22 5.600 -3.535 3.389 149 HA GLU 22 HA GLU 22 3.607 -5.401 2.664 150 1HB GLU 22 1HB GLU 22 6.400 -5.526 3.840 151 2HB GLU 22 2HB GLU 22 5.541 -6.993 3.521 152 1HG GLU 22 1HG GLU 22 5.357 -5.122 1.242 153 2HG GLU 22 2HG GLU 22 7.012 -5.349 1.674 154 H SER 23 H SER 23 5.047 -4.821 5.951 155 HA SER 23 HA SER 23 3.269 -6.751 7.141 156 1HB SER 23 1HB SER 23 5.543 -6.060 7.978 157 2HB SER 23 2HB SER 23 4.857 -4.488 8.429 158 HG SER 23 HG SER 23 3.259 -5.991 9.647 159 H THR 24 H THR 24 2.910 -3.232 6.866 160 HA THR 24 HA THR 24 0.730 -3.118 8.793 161 HB THR 24 HB THR 24 1.926 -1.037 6.836 162 HG1 THR 24 HG1 THR 24 2.056 -1.519 9.633 163 1HG2 THR 24 1HG2 THR 24 -0.172 -0.668 9.033 164 2HG2 THR 24 2HG2 THR 24 -0.394 -0.375 7.296 165 3HG2 THR 24 3HG2 THR 24 0.712 0.643 8.220 166 H LEU 25 H LEU 25 1.033 -3.137 5.272 167 HA LEU 25 HA LEU 25 -1.868 -2.968 4.921 168 1HB LEU 25 1HB LEU 25 0.439 -3.750 3.146 169 2HB LEU 25 2HB LEU 25 -1.210 -3.794 2.585 170 HG LEU 25 HG LEU 25 0.323 -1.686 2.087 171 1HD1 LEU 25 1HD1 LEU 25 -2.613 -1.529 2.848 172 2HD1 LEU 25 2HD1 LEU 25 -1.937 -2.035 1.281 173 3HD1 LEU 25 3HD1 LEU 25 -1.745 -0.367 1.837 174 1HD2 LEU 25 1HD2 LEU 25 0.817 -0.966 4.392 175 2HD2 LEU 25 2HD2 LEU 25 -0.926 -0.837 4.745 176 3HD2 LEU 25 3HD2 LEU 25 -0.180 0.239 3.591 177 H SER 26 H SER 26 0.536 -5.766 4.982 178 HA SER 26 HA SER 26 -1.602 -7.563 4.137 179 1HB SER 26 1HB SER 26 0.889 -7.770 3.737 180 2HB SER 26 2HB SER 26 1.038 -8.310 5.390 181 HG SER 26 HG SER 26 0.812 -10.068 3.979 182 H ALA 27 H ALA 27 -1.921 -5.941 6.693 183 HA ALA 27 HA ALA 27 -2.678 -8.159 8.574 184 1HB ALA 27 1HB ALA 27 -0.907 -6.628 9.431 185 2HB ALA 27 2HB ALA 27 -1.980 -5.238 9.162 186 3HB ALA 27 3HB ALA 27 -2.410 -6.477 10.361 187 H LEU 28 H LEU 28 -4.048 -6.059 6.295 188 HA LEU 28 HA LEU 28 -6.077 -4.911 7.965 189 1HB LEU 28 1HB LEU 28 -5.857 -5.076 4.943 190 2HB LEU 28 2HB LEU 28 -7.036 -4.110 5.806 191 HG LEU 28 HG LEU 28 -4.062 -3.708 6.307 192 1HD1 LEU 28 1HD1 LEU 28 -3.990 -1.997 4.624 193 2HD1 LEU 28 2HD1 LEU 28 -5.693 -2.221 4.217 194 3HD1 LEU 28 3HD1 LEU 28 -4.506 -3.493 3.833 195 1HD2 LEU 28 1HD2 LEU 28 -4.818 -1.456 6.912 196 2HD2 LEU 28 2HD2 LEU 28 -5.663 -2.678 7.881 197 3HD2 LEU 28 3HD2 LEU 28 -6.506 -1.906 6.517 198 H GLN 29 H GLN 29 -8.140 -5.509 8.407 199 HA GLN 29 HA GLN 29 -8.886 -8.258 7.997 200 1HB GLN 29 1HB GLN 29 -9.239 -6.907 10.088 201 2HB GLN 29 2HB GLN 29 -10.480 -5.991 9.240 202 1HG GLN 29 1HG GLN 29 -11.187 -8.725 8.834 203 2HG GLN 29 2HG GLN 29 -10.594 -8.663 10.490 204 1HE2 GLN 29 1HE2 GLN 29 -12.715 -6.726 8.287 205 2HE2 GLN 29 2HE2 GLN 29 -13.941 -6.449 9.545 206 H TYR 30 H TYR 30 -8.753 -7.931 5.675 207 HA TYR 30 HA TYR 30 -10.968 -8.343 4.125 208 1HB TYR 30 1HB TYR 30 -11.185 -6.206 2.823 209 2HB TYR 30 2HB TYR 30 -11.945 -6.261 4.389 210 HD1 TYR 30 HD1 TYR 30 -8.497 -5.167 3.044 211 HD2 TYR 30 HD2 TYR 30 -11.878 -4.312 5.603 212 HE1 TYR 30 HE1 TYR 30 -7.636 -2.936 3.458 213 HE2 TYR 30 HE2 TYR 30 -10.964 -2.048 6.043 214 HH TYR 30 HH TYR 30 -7.961 -0.878 4.481 215 H VAL 31 H VAL 31 -7.580 -7.474 4.301 216 HA VAL 31 HA VAL 31 -7.327 -7.534 1.345 217 HB VAL 31 HB VAL 31 -6.076 -5.812 2.671 218 1HG1 VAL 31 1HG1 VAL 31 -5.488 -7.248 4.460 219 2HG1 VAL 31 2HG1 VAL 31 -4.322 -8.113 3.397 220 3HG1 VAL 31 3HG1 VAL 31 -4.167 -6.356 3.698 221 1HG2 VAL 31 1HG2 VAL 31 -3.942 -5.969 1.464 222 2HG2 VAL 31 2HG2 VAL 31 -4.259 -7.646 1.034 223 3HG2 VAL 31 3HG2 VAL 31 -5.274 -6.328 0.366 224 H SER 32 H SER 32 -6.182 -9.141 0.210 225 HA SER 32 HA SER 32 -5.890 -11.735 1.700 226 1HB SER 32 1HB SER 32 -7.833 -11.517 0.091 227 2HB SER 32 2HB SER 32 -6.631 -11.393 -1.215 228 HG SER 32 HG SER 32 -5.748 -13.404 -0.313 229 H SER 33 H SER 33 -4.151 -9.404 -0.162 230 HA SER 33 HA SER 33 -1.719 -10.772 0.369 231 1HB SER 33 1HB SER 33 -2.590 -11.887 -1.898 232 2HB SER 33 2HB SER 33 -1.936 -10.433 -2.609 233 HG SER 33 HG SER 33 -0.305 -12.007 -2.467 234 H ILE 34 H ILE 34 0.097 -9.765 -0.791 235 HA ILE 34 HA ILE 34 -0.162 -7.227 -1.989 236 HB ILE 34 HB ILE 34 -0.339 -6.493 0.389 237 1HG1 ILE 34 1HG1 ILE 34 2.430 -5.656 -0.570 238 2HG1 ILE 34 2HG1 ILE 34 0.933 -5.072 -1.310 239 1HG2 ILE 34 1HG2 ILE 34 0.895 -8.367 1.458 240 2HG2 ILE 34 2HG2 ILE 34 2.423 -7.750 0.793 241 3HG2 ILE 34 3HG2 ILE 34 1.525 -6.809 1.985 242 1HD1 ILE 34 1HD1 ILE 34 1.732 -3.453 0.311 243 2HD1 ILE 34 2HD1 ILE 34 0.203 -4.174 0.855 244 3HD1 ILE 34 3HD1 ILE 34 1.736 -4.674 1.594 245 H VAL 35 H VAL 35 1.773 -6.504 -2.911 246 HA VAL 35 HA VAL 35 4.322 -7.889 -2.391 247 HB VAL 35 HB VAL 35 3.057 -7.648 -5.155 248 1HG1 VAL 35 1HG1 VAL 35 5.291 -6.703 -5.468 249 2HG1 VAL 35 2HG1 VAL 35 6.024 -8.034 -4.543 250 3HG1 VAL 35 3HG1 VAL 35 5.272 -8.334 -6.124 251 1HG2 VAL 35 1HG2 VAL 35 3.976 -10.064 -5.259 252 2HG2 VAL 35 2HG2 VAL 35 4.462 -9.834 -3.554 253 3HG2 VAL 35 3HG2 VAL 35 2.738 -9.821 -4.020 254 H VAL 36 H VAL 36 5.624 -6.395 -1.902 255 HA VAL 36 HA VAL 36 5.322 -3.661 -3.130 256 HB VAL 36 HB VAL 36 7.042 -4.615 -0.838 257 1HG1 VAL 36 1HG1 VAL 36 7.659 -2.160 -0.657 258 2HG1 VAL 36 2HG1 VAL 36 8.472 -3.025 -1.977 259 3HG1 VAL 36 3HG1 VAL 36 7.102 -1.937 -2.311 260 1HG2 VAL 36 1HG2 VAL 36 5.001 -2.366 -1.115 261 2HG2 VAL 36 2HG2 VAL 36 4.580 -3.973 -0.500 262 3HG2 VAL 36 3HG2 VAL 36 5.749 -2.953 0.383 263 H SER 37 H SER 37 6.545 -2.812 -4.555 264 HA SER 37 HA SER 37 8.490 -4.336 -6.142 265 1HB SER 37 1HB SER 37 7.620 -1.419 -5.997 266 2HB SER 37 2HB SER 37 8.909 -1.992 -7.047 267 HG SER 37 HG SER 37 7.253 -2.140 -8.347 268 H LEU 38 H LEU 38 10.048 -4.931 -4.429 269 HA LEU 38 HA LEU 38 10.944 -3.439 -2.392 270 1HB LEU 38 1HB LEU 38 11.702 -5.878 -3.429 271 2HB LEU 38 2HB LEU 38 13.183 -4.934 -3.670 272 HG LEU 38 HG LEU 38 11.757 -5.337 -1.012 273 1HD1 LEU 38 1HD1 LEU 38 13.629 -6.832 -0.471 274 2HD1 LEU 38 2HD1 LEU 38 14.322 -6.575 -2.088 275 3HD1 LEU 38 3HD1 LEU 38 12.762 -7.408 -1.902 276 1HD2 LEU 38 1HD2 LEU 38 12.973 -3.264 -0.834 277 2HD2 LEU 38 2HD2 LEU 38 14.402 -3.965 -1.638 278 3HD2 LEU 38 3HD2 LEU 38 13.914 -4.498 -0.014 279 H GLU 39 H GLU 39 12.275 -3.095 -5.707 280 HA GLU 39 HA GLU 39 14.231 -1.190 -4.986 281 1HB GLU 39 1HB GLU 39 14.030 -2.582 -7.110 282 2HB GLU 39 2HB GLU 39 12.764 -1.490 -7.634 283 1HG GLU 39 1HG GLU 39 15.710 -0.946 -7.187 284 2HG GLU 39 2HG GLU 39 14.745 -0.848 -8.664 285 H ASN 40 H ASN 40 11.070 -0.782 -6.597 286 HA ASN 40 HA ASN 40 11.180 2.017 -6.551 287 1HB ASN 40 1HB ASN 40 8.615 0.442 -6.787 288 2HB ASN 40 2HB ASN 40 9.003 2.010 -7.492 289 1HD2 ASN 40 1HD2 ASN 40 11.778 1.142 -8.390 290 2HD2 ASN 40 2HD2 ASN 40 11.476 0.022 -9.647 291 H ARG 41 H ARG 41 9.531 3.477 -5.585 292 HA ARG 41 HA ARG 41 8.815 2.705 -2.812 293 1HB ARG 41 1HB ARG 41 8.222 4.947 -2.427 294 2HB ARG 41 2HB ARG 41 9.887 4.777 -2.958 295 1HG ARG 41 1HG ARG 41 7.649 5.704 -4.800 296 2HG ARG 41 2HG ARG 41 8.528 6.751 -3.673 297 1HD ARG 41 1HD ARG 41 10.656 5.842 -4.924 298 2HD ARG 41 2HD ARG 41 9.468 5.571 -6.217 299 HE ARG 41 HE ARG 41 8.946 8.140 -5.148 300 1HH1 ARG 41 1HH1 ARG 41 11.683 6.729 -6.899 301 2HH1 ARG 41 2HH1 ARG 41 12.158 8.277 -7.526 302 1HH2 ARG 41 1HH2 ARG 41 9.647 10.015 -5.827 303 2HH2 ARG 41 2HH2 ARG 41 10.996 10.168 -6.942 304 H SER 42 H SER 42 7.399 1.117 -4.715 305 HA SER 42 HA SER 42 4.641 2.086 -4.132 306 1HB SER 42 1HB SER 42 3.960 1.064 -6.343 307 2HB SER 42 2HB SER 42 4.918 2.516 -6.478 308 HG SER 42 HG SER 42 5.792 -0.192 -6.771 309 H ALA 43 H ALA 43 3.010 0.529 -4.261 310 HA ALA 43 HA ALA 43 3.727 -2.313 -3.575 311 1HB ALA 43 1HB ALA 43 1.724 -0.445 -2.168 312 2HB ALA 43 2HB ALA 43 2.076 -2.140 -1.740 313 3HB ALA 43 3HB ALA 43 3.312 -0.888 -1.510 314 H ILE 44 H ILE 44 2.379 -3.806 -4.334 315 HA ILE 44 HA ILE 44 -0.121 -3.028 -5.801 316 HB ILE 44 HB ILE 44 1.770 -5.373 -6.279 317 1HG1 ILE 44 1HG1 ILE 44 1.020 -3.021 -8.092 318 2HG1 ILE 44 2HG1 ILE 44 2.527 -3.124 -7.184 319 1HG2 ILE 44 1HG2 ILE 44 0.185 -5.994 -8.092 320 2HG2 ILE 44 2HG2 ILE 44 -0.620 -6.018 -6.534 321 3HG2 ILE 44 3HG2 ILE 44 -0.879 -4.646 -7.633 322 1HD1 ILE 44 1HD1 ILE 44 2.976 -3.771 -9.447 323 2HD1 ILE 44 2HD1 ILE 44 3.113 -5.218 -8.432 324 3HD1 ILE 44 3HD1 ILE 44 1.673 -4.967 -9.451 325 H VAL 45 H VAL 45 -1.852 -3.596 -4.678 326 HA VAL 45 HA VAL 45 -1.533 -5.446 -2.327 327 HB VAL 45 HB VAL 45 -3.248 -2.969 -2.522 328 1HG1 VAL 45 1HG1 VAL 45 -3.346 -3.296 -0.017 329 2HG1 VAL 45 2HG1 VAL 45 -3.998 -4.693 -0.877 330 3HG1 VAL 45 3HG1 VAL 45 -2.364 -4.761 -0.185 331 1HG2 VAL 45 1HG2 VAL 45 -0.537 -3.213 -1.177 332 2HG2 VAL 45 2HG2 VAL 45 -0.928 -2.205 -2.579 333 3HG2 VAL 45 3HG2 VAL 45 -1.659 -1.846 -1.022 334 H VAL 46 H VAL 46 -3.093 -7.032 -2.172 335 HA VAL 46 HA VAL 46 -5.277 -7.082 -4.234 336 HB VAL 46 HB VAL 46 -3.848 -9.440 -2.955 337 1HG1 VAL 46 1HG1 VAL 46 -6.104 -9.969 -3.776 338 2HG1 VAL 46 2HG1 VAL 46 -5.669 -9.354 -5.386 339 3HG1 VAL 46 3HG1 VAL 46 -4.861 -10.788 -4.726 340 1HG2 VAL 46 1HG2 VAL 46 -2.659 -9.820 -5.066 341 2HG2 VAL 46 2HG2 VAL 46 -3.261 -8.266 -5.692 342 3HG2 VAL 46 3HG2 VAL 46 -2.165 -8.318 -4.293 343 H TYR 47 H TYR 47 -7.330 -7.141 -3.328 344 HA TYR 47 HA TYR 47 -7.638 -8.018 -0.487 345 1HB TYR 47 1HB TYR 47 -8.817 -5.993 0.106 346 2HB TYR 47 2HB TYR 47 -7.213 -5.610 -0.454 347 HD1 TYR 47 HD1 TYR 47 -6.797 -4.608 -2.672 348 HD2 TYR 47 HD2 TYR 47 -10.789 -5.192 -1.164 349 HE1 TYR 47 HE1 TYR 47 -7.642 -2.924 -4.289 350 HE2 TYR 47 HE2 TYR 47 -11.666 -3.610 -2.898 351 HH TYR 47 HH TYR 47 -9.484 -2.072 -5.277 352 H ASN 48 H ASN 48 -9.964 -8.207 0.197 353 HA ASN 48 HA ASN 48 -11.236 -9.788 -1.984 354 1HB ASN 48 1HB ASN 48 -10.612 -10.832 0.160 355 2HB ASN 48 2HB ASN 48 -11.687 -9.733 1.028 356 1HD2 ASN 48 1HD2 ASN 48 -14.080 -9.859 0.423 357 2HD2 ASN 48 2HD2 ASN 48 -14.664 -11.454 -0.076 358 H ALA 49 H ALA 49 -12.744 -8.722 -3.237 359 HA ALA 49 HA ALA 49 -15.119 -7.579 -2.015 360 1HB ALA 49 1HB ALA 49 -13.559 -5.666 -1.738 361 2HB ALA 49 2HB ALA 49 -13.163 -5.734 -3.468 362 3HB ALA 49 3HB ALA 49 -14.801 -5.284 -2.941 363 H SER 50 H SER 50 -16.782 -6.956 -3.647 364 HA SER 50 HA SER 50 -16.514 -8.421 -6.201 365 1HB SER 50 1HB SER 50 -18.938 -8.001 -6.324 366 2HB SER 50 2HB SER 50 -18.502 -8.792 -4.807 367 HG SER 50 HG SER 50 -19.721 -6.413 -5.205 368 H SER 51 H SER 51 -15.062 -5.779 -5.595 369 HA SER 51 HA SER 51 -15.608 -4.230 -7.897 370 1HB SER 51 1HB SER 51 -17.110 -3.458 -5.398 371 2HB SER 51 2HB SER 51 -16.543 -2.184 -6.482 372 HG SER 51 HG SER 51 -17.997 -4.427 -7.419 373 H VAL 52 H VAL 52 -14.715 -1.773 -7.402 374 HA VAL 52 HA VAL 52 -12.103 -2.161 -6.050 375 HB VAL 52 HB VAL 52 -11.847 -2.077 -8.421 376 1HG1 VAL 52 1HG1 VAL 52 -13.038 0.723 -8.479 377 2HG1 VAL 52 2HG1 VAL 52 -12.352 -0.186 -9.830 378 3HG1 VAL 52 3HG1 VAL 52 -13.847 -0.747 -9.072 379 1HG2 VAL 52 1HG2 VAL 52 -10.161 -0.334 -8.604 380 2HG2 VAL 52 2HG2 VAL 52 -10.836 0.524 -7.212 381 3HG2 VAL 52 3HG2 VAL 52 -10.081 -1.071 -6.998 382 H THR 53 H THR 53 -11.762 -1.019 -4.316 383 HA THR 53 HA THR 53 -12.730 1.785 -4.012 384 HB THR 53 HB THR 53 -13.148 -0.362 -1.900 385 HG1 THR 53 HG1 THR 53 -15.329 0.170 -2.337 386 1HG2 THR 53 1HG2 THR 53 -12.646 1.847 -0.883 387 2HG2 THR 53 2HG2 THR 53 -14.361 1.471 -0.707 388 3HG2 THR 53 3HG2 THR 53 -13.833 2.624 -1.954 389 HA PRO 54 HA PRO 54 -8.356 0.826 -3.032 390 1HB PRO 54 1HB PRO 54 -7.056 2.676 -4.490 391 2HB PRO 54 2HB PRO 54 -7.960 1.348 -5.263 392 1HG PRO 54 1HG PRO 54 -8.936 4.185 -4.777 393 2HG PRO 54 2HG PRO 54 -8.960 3.256 -6.312 394 1HD PRO 54 1HD PRO 54 -11.112 3.389 -4.603 395 2HD PRO 54 2HD PRO 54 -10.762 1.943 -5.589 396 H GLU 55 H GLU 55 -9.889 4.008 -2.360 397 HA GLU 55 HA GLU 55 -7.623 5.201 -1.159 398 1HB GLU 55 1HB GLU 55 -10.583 5.689 -0.946 399 2HB GLU 55 2HB GLU 55 -9.500 6.533 0.148 400 1HG GLU 55 1HG GLU 55 -9.191 6.598 -2.880 401 2HG GLU 55 2HG GLU 55 -10.096 7.792 -1.952 402 H SER 56 H SER 56 -9.648 2.648 0.280 403 HA SER 56 HA SER 56 -8.980 3.294 3.046 404 1HB SER 56 1HB SER 56 -9.666 0.893 3.386 405 2HB SER 56 2HB SER 56 -10.899 1.907 2.596 406 HG SER 56 HG SER 56 -10.674 -0.047 1.441 407 H LEU 57 H LEU 57 -7.520 1.215 0.536 408 HA LEU 57 HA LEU 57 -5.390 0.219 2.268 409 1HB LEU 57 1HB LEU 57 -5.514 0.462 -0.747 410 2HB LEU 57 2HB LEU 57 -4.322 -0.449 0.160 411 HG LEU 57 HG LEU 57 -7.294 -1.083 -0.132 412 1HD1 LEU 57 1HD1 LEU 57 -5.932 -3.231 -1.082 413 2HD1 LEU 57 2HD1 LEU 57 -4.731 -1.967 -1.404 414 3HD1 LEU 57 3HD1 LEU 57 -6.340 -1.819 -2.105 415 1HD2 LEU 57 1HD2 LEU 57 -5.179 -2.680 1.393 416 2HD2 LEU 57 2HD2 LEU 57 -6.857 -3.181 1.085 417 3HD2 LEU 57 3HD2 LEU 57 -6.524 -1.762 2.102 418 H ARG 58 H ARG 58 -5.606 2.944 -0.104 419 HA ARG 58 HA ARG 58 -2.960 3.892 0.096 420 1HB ARG 58 1HB ARG 58 -4.745 4.747 -1.453 421 2HB ARG 58 2HB ARG 58 -5.571 5.444 -0.096 422 1HG ARG 58 1HG ARG 58 -3.426 6.716 0.412 423 2HG ARG 58 2HG ARG 58 -2.856 6.232 -1.198 424 1HD ARG 58 1HD ARG 58 -4.626 7.445 -2.265 425 2HD ARG 58 2HD ARG 58 -5.515 7.576 -0.736 426 HE ARG 58 HE ARG 58 -3.129 8.903 -0.225 427 1HH1 ARG 58 1HH1 ARG 58 -5.962 9.344 -2.288 428 2HH1 ARG 58 2HH1 ARG 58 -5.761 11.077 -2.330 429 1HH2 ARG 58 1HH2 ARG 58 -3.003 10.943 -0.108 430 2HH2 ARG 58 2HH2 ARG 58 -4.041 12.051 -1.021 431 H LYS 59 H LYS 59 -5.844 4.675 2.122 432 HA LYS 59 HA LYS 59 -4.507 6.288 4.012 433 1HB LYS 59 1HB LYS 59 -7.131 4.890 3.796 434 2HB LYS 59 2HB LYS 59 -6.591 5.246 5.414 435 1HG LYS 59 1HG LYS 59 -7.962 7.087 4.473 436 2HG LYS 59 2HG LYS 59 -6.335 7.601 4.943 437 1HD LYS 59 1HD LYS 59 -5.639 7.386 2.524 438 2HD LYS 59 2HD LYS 59 -7.303 7.048 2.114 439 1HE LYS 59 1HE LYS 59 -7.990 9.263 2.743 440 2HE LYS 59 2HE LYS 59 -6.442 9.556 3.582 441 1HZ LYS 59 1HZ LYS 59 -5.310 9.351 1.495 442 2HZ LYS 59 2HZ LYS 59 -6.424 10.570 1.393 443 3HZ LYS 59 3HZ LYS 59 -6.748 9.120 0.675 444 H ALA 60 H ALA 60 -4.666 2.704 3.947 445 HA ALA 60 HA ALA 60 -3.458 2.385 6.566 446 1HB ALA 60 1HB ALA 60 -4.716 0.605 5.337 447 2HB ALA 60 2HB ALA 60 -3.399 0.522 4.145 448 3HB ALA 60 3HB ALA 60 -3.087 0.098 5.837 449 H ILE 61 H ILE 61 -2.127 2.800 3.275 450 HA ILE 61 HA ILE 61 0.621 2.547 4.113 451 HB ILE 61 HB ILE 61 -0.399 4.078 1.669 452 1HG1 ILE 61 1HG1 ILE 61 0.425 1.152 1.768 453 2HG1 ILE 61 2HG1 ILE 61 -1.236 1.713 1.735 454 1HG2 ILE 61 1HG2 ILE 61 1.923 4.544 2.111 455 2HG2 ILE 61 2HG2 ILE 61 2.277 2.830 2.410 456 3HG2 ILE 61 3HG2 ILE 61 1.892 3.421 0.779 457 1HD1 ILE 61 1HD1 ILE 61 -0.803 2.836 -0.442 458 2HD1 ILE 61 2HD1 ILE 61 0.788 2.025 -0.476 459 3HD1 ILE 61 3HD1 ILE 61 -0.697 1.064 -0.460 460 H GLU 62 H GLU 62 -1.392 5.474 3.451 461 HA GLU 62 HA GLU 62 0.471 7.390 4.386 462 1HB GLU 62 1HB GLU 62 -2.578 7.456 4.341 463 2HB GLU 62 2HB GLU 62 -1.516 8.829 4.714 464 1HG GLU 62 1HG GLU 62 -0.484 8.743 2.550 465 2HG GLU 62 2HG GLU 62 -1.433 7.310 2.106 466 H ALA 63 H ALA 63 -1.442 5.082 6.260 467 HA ALA 63 HA ALA 63 -0.924 6.556 8.746 468 1HB ALA 63 1HB ALA 63 -2.269 4.759 9.783 469 2HB ALA 63 2HB ALA 63 -3.119 5.481 8.405 470 3HB ALA 63 3HB ALA 63 -2.317 3.898 8.231 471 H VAL 64 H VAL 64 1.096 4.783 6.956 472 HA VAL 64 HA VAL 64 2.356 3.410 9.281 473 HB VAL 64 HB VAL 64 2.110 2.379 6.803 474 1HG1 VAL 64 1HG1 VAL 64 3.939 2.342 5.485 475 2HG1 VAL 64 2HG1 VAL 64 3.460 4.045 5.712 476 3HG1 VAL 64 3HG1 VAL 64 4.896 3.412 6.545 477 1HG2 VAL 64 1HG2 VAL 64 4.670 2.157 8.492 478 2HG2 VAL 64 2HG2 VAL 64 3.144 1.381 8.972 479 3HG2 VAL 64 3HG2 VAL 64 3.951 0.868 7.475 480 H SER 65 H SER 65 2.831 6.076 7.020 481 HA SER 65 HA SER 65 4.480 7.325 9.063 482 1HB SER 65 1HB SER 65 5.821 7.681 6.487 483 2HB SER 65 2HB SER 65 6.376 7.494 8.152 484 HG SER 65 HG SER 65 5.801 5.226 7.911 485 HA PRO 66 HA PRO 66 1.183 9.938 7.143 486 1HB PRO 66 1HB PRO 66 0.314 10.961 9.620 487 2HB PRO 66 2HB PRO 66 -0.390 9.573 8.745 488 1HG PRO 66 1HG PRO 66 1.674 9.547 10.961 489 2HG PRO 66 2HG PRO 66 0.236 8.487 10.759 490 1HD PRO 66 1HD PRO 66 2.636 7.537 10.036 491 2HD PRO 66 2HD PRO 66 1.285 7.298 8.960 492 H GLY 67 H GLY 67 1.253 12.043 6.689 493 1HA GLY 67 1HA GLY 67 2.004 14.254 6.613 494 2HA GLY 67 2HA GLY 67 3.022 13.957 8.047 495 H LEU 68 H LEU 68 4.272 11.569 6.769 496 HA LEU 68 HA LEU 68 6.349 12.921 5.145 497 1HB LEU 68 1HB LEU 68 6.871 11.409 7.070 498 2HB LEU 68 2HB LEU 68 6.094 10.088 6.210 499 HG LEU 68 HG LEU 68 7.778 10.415 4.324 500 1HD1 LEU 68 1HD1 LEU 68 8.539 12.694 4.812 501 2HD1 LEU 68 2HD1 LEU 68 9.901 11.582 5.017 502 3HD1 LEU 68 3HD1 LEU 68 9.053 12.200 6.445 503 1HD2 LEU 68 1HD2 LEU 68 9.548 9.243 5.560 504 2HD2 LEU 68 2HD2 LEU 68 7.942 8.624 5.984 505 3HD2 LEU 68 3HD2 LEU 68 8.792 9.720 7.099 506 H TYR 69 H TYR 69 4.021 10.250 4.884 507 HA TYR 69 HA TYR 69 4.909 9.418 2.278 508 1HB TYR 69 1HB TYR 69 2.740 8.600 4.237 509 2HB TYR 69 2HB TYR 69 2.765 7.998 2.612 510 HD1 TYR 69 HD1 TYR 69 2.815 5.775 3.532 511 HD2 TYR 69 HD2 TYR 69 6.133 8.462 4.058 512 HE1 TYR 69 HE1 TYR 69 4.285 3.861 3.627 513 HE2 TYR 69 HE2 TYR 69 7.595 6.511 4.511 514 HH TYR 69 HH TYR 69 6.408 3.157 4.118 515 H ARG 70 H ARG 70 4.671 10.861 0.694 516 HA ARG 70 HA ARG 70 2.339 12.259 -0.156 517 1HB ARG 70 1HB ARG 70 4.907 12.465 -0.758 518 2HB ARG 70 2HB ARG 70 4.457 11.254 -1.913 519 1HG ARG 70 1HG ARG 70 2.542 12.955 -2.548 520 2HG ARG 70 2HG ARG 70 3.593 14.162 -1.764 521 1HD ARG 70 1HD ARG 70 5.401 13.405 -3.241 522 2HD ARG 70 2HD ARG 70 4.288 12.132 -3.867 523 HE ARG 70 HE ARG 70 2.973 14.447 -4.434 524 1HH1 ARG 70 1HH1 ARG 70 6.263 13.287 -5.339 525 2HH1 ARG 70 2HH1 ARG 70 6.218 14.160 -6.826 526 1HH2 ARG 70 1HH2 ARG 70 3.067 15.554 -6.402 527 2HH2 ARG 70 2HH2 ARG 70 4.440 15.354 -7.446 528 H VAL 71 H VAL 71 1.209 9.807 0.316 529 HA VAL 71 HA VAL 71 1.550 7.986 -1.840 530 HB VAL 71 HB VAL 71 -0.841 7.737 -0.034 531 1HG1 VAL 71 1HG1 VAL 71 0.877 5.622 -1.424 532 2HG1 VAL 71 2HG1 VAL 71 -0.557 5.332 -0.421 533 3HG1 VAL 71 3HG1 VAL 71 -0.722 6.143 -1.980 534 1HG2 VAL 71 1HG2 VAL 71 0.651 6.396 1.444 535 2HG2 VAL 71 2HG2 VAL 71 2.038 6.832 0.418 536 3HG2 VAL 71 3HG2 VAL 71 1.166 8.083 1.315 537 H SER 72 H SER 72 0.713 7.612 -3.639 538 HA SER 72 HA SER 72 -1.839 8.897 -4.513 539 1HB SER 72 1HB SER 72 0.756 8.759 -6.065 540 2HB SER 72 2HB SER 72 -0.746 9.504 -6.566 541 HG SER 72 HG SER 72 0.834 10.345 -4.349 542 H ILE 73 H ILE 73 -2.911 7.744 -6.168 543 HA ILE 73 HA ILE 73 -2.320 4.814 -6.326 544 HB ILE 73 HB ILE 73 -4.684 6.523 -7.256 545 1HG1 ILE 73 1HG1 ILE 73 -4.613 4.450 -5.031 546 2HG1 ILE 73 2HG1 ILE 73 -4.389 6.167 -4.721 547 1HG2 ILE 73 1HG2 ILE 73 -4.422 3.478 -7.298 548 2HG2 ILE 73 2HG2 ILE 73 -5.849 4.413 -7.783 549 3HG2 ILE 73 3HG2 ILE 73 -4.378 4.536 -8.727 550 1HD1 ILE 73 1HD1 ILE 73 -6.677 5.549 -4.243 551 2HD1 ILE 73 2HD1 ILE 73 -6.627 6.665 -5.622 552 3HD1 ILE 73 3HD1 ILE 73 -6.902 4.928 -5.887 553 H THR 74 H THR 74 -1.272 3.944 -7.883 554 HA THR 74 HA THR 74 -0.473 5.615 -10.156 555 HB THR 74 HB THR 74 0.463 2.770 -9.962 556 HG1 THR 74 HG1 THR 74 1.076 4.800 -8.101 557 1HG2 THR 74 1HG2 THR 74 2.596 3.894 -10.436 558 2HG2 THR 74 2HG2 THR 74 1.839 5.483 -10.149 559 3HG2 THR 74 3HG2 THR 74 1.349 4.501 -11.554 560 H SER 75 H SER 75 -1.964 5.770 -11.756 561 HA SER 75 HA SER 75 -2.861 3.394 -13.210 562 1HB SER 75 1HB SER 75 -4.774 5.182 -11.657 563 2HB SER 75 2HB SER 75 -5.277 4.098 -12.961 564 HG SER 75 HG SER 75 -3.691 2.963 -10.970 565 H GLU 76 H GLU 76 -3.936 3.998 -15.237 566 HA GLU 76 HA GLU 76 -2.814 6.365 -16.429 567 1HB GLU 76 1HB GLU 76 -3.135 4.135 -17.492 568 2HB GLU 76 2HB GLU 76 -4.880 4.403 -17.508 569 1HG GLU 76 1HG GLU 76 -4.527 6.398 -18.960 570 2HG GLU 76 2HG GLU 76 -2.783 6.108 -18.933 571 H VAL 77 H VAL 77 -3.547 8.212 -15.733 572 HA VAL 77 HA VAL 77 -6.512 8.831 -15.867 573 HB VAL 77 HB VAL 77 -6.307 10.299 -13.923 574 1HG1 VAL 77 1HG1 VAL 77 -5.372 7.489 -13.224 575 2HG1 VAL 77 2HG1 VAL 77 -6.249 8.621 -12.184 576 3HG1 VAL 77 3HG1 VAL 77 -7.043 7.949 -13.618 577 1HG2 VAL 77 1HG2 VAL 77 -3.910 10.879 -13.997 578 2HG2 VAL 77 2HG2 VAL 77 -4.370 10.232 -12.419 579 3HG2 VAL 77 3HG2 VAL 77 -3.482 9.209 -13.562 Start of MODEL 19 1 1H ASN 1 1HT ASN 1 -11.297 -14.311 -7.999 2 HA ASN 1 HA ASN 1 -12.495 -14.819 -5.471 3 1HB ASN 1 1HB ASN 1 -9.595 -14.896 -6.439 4 2HB ASN 1 2HB ASN 1 -10.102 -15.466 -4.857 5 1HD2 ASN 1 1HD2 ASN 1 -9.633 -17.649 -5.079 6 2HD2 ASN 1 2HD2 ASN 1 -10.446 -18.659 -6.277 7 H ASP 2 H ASP 2 -10.598 -12.140 -6.584 8 HA ASP 2 HA ASP 2 -10.618 -10.634 -4.109 9 1HB ASP 2 1HB ASP 2 -8.108 -10.386 -4.290 10 2HB ASP 2 2HB ASP 2 -8.653 -11.974 -3.779 11 H SER 3 H SER 3 -9.402 -8.554 -4.548 12 HA SER 3 HA SER 3 -9.698 -7.528 -7.315 13 1HB SER 3 1HB SER 3 -11.341 -6.547 -5.448 14 2HB SER 3 2HB SER 3 -9.905 -5.722 -4.893 15 HG SER 3 HG SER 3 -11.363 -5.547 -7.289 16 H THR 4 H THR 4 -8.305 -5.284 -7.123 17 HA THR 4 HA THR 4 -5.789 -5.563 -5.706 18 HB THR 4 HB THR 4 -5.974 -6.514 -8.566 19 HG1 THR 4 HG1 THR 4 -5.860 -7.793 -6.535 20 1HG2 THR 4 1HG2 THR 4 -4.156 -4.829 -8.704 21 2HG2 THR 4 2HG2 THR 4 -3.500 -6.470 -8.702 22 3HG2 THR 4 3HG2 THR 4 -3.423 -5.498 -7.219 23 H ALA 5 H ALA 5 -4.504 -3.840 -5.869 24 HA ALA 5 HA ALA 5 -4.913 -1.791 -7.866 25 1HB ALA 5 1HB ALA 5 -5.532 -1.242 -4.943 26 2HB ALA 5 2HB ALA 5 -5.174 0.052 -6.106 27 3HB ALA 5 3HB ALA 5 -6.593 -1.000 -6.341 28 H THR 6 H THR 6 -3.257 -0.152 -7.797 29 HA THR 6 HA THR 6 -0.715 -0.969 -6.463 30 HB THR 6 HB THR 6 -0.990 0.536 -9.071 31 HG1 THR 6 HG1 THR 6 -0.458 -1.423 -10.034 32 1HG2 THR 6 1HG2 THR 6 1.415 -0.114 -9.306 33 2HG2 THR 6 2HG2 THR 6 1.344 -0.806 -7.661 34 3HG2 THR 6 3HG2 THR 6 1.106 0.935 -7.917 35 H PHE 7 H PHE 7 0.319 0.528 -5.386 36 HA PHE 7 HA PHE 7 -0.621 3.343 -5.426 37 1HB PHE 7 1HB PHE 7 0.083 1.945 -2.828 38 2HB PHE 7 2HB PHE 7 -0.634 3.523 -3.081 39 HD1 PHE 7 HD1 PHE 7 -1.470 -0.167 -3.469 40 HD2 PHE 7 HD2 PHE 7 -2.978 3.888 -3.224 41 HE1 PHE 7 HE1 PHE 7 -3.729 -1.009 -3.547 42 HE2 PHE 7 HE2 PHE 7 -5.289 2.987 -3.224 43 HZ PHE 7 HZ PHE 7 -5.675 0.555 -3.394 44 H ILE 8 H ILE 8 0.913 4.900 -4.921 45 HA ILE 8 HA ILE 8 3.731 4.031 -4.623 46 HB ILE 8 HB ILE 8 3.040 4.480 -7.002 47 1HG1 ILE 8 1HG1 ILE 8 5.051 6.573 -6.092 48 2HG1 ILE 8 2HG1 ILE 8 5.343 4.850 -5.883 49 1HG2 ILE 8 1HG2 ILE 8 2.700 6.756 -7.828 50 2HG2 ILE 8 2HG2 ILE 8 1.418 6.302 -6.709 51 3HG2 ILE 8 3HG2 ILE 8 2.716 7.391 -6.175 52 1HD1 ILE 8 1HD1 ILE 8 6.391 5.609 -7.937 53 2HD1 ILE 8 2HD1 ILE 8 5.153 4.370 -8.213 54 3HD1 ILE 8 3HD1 ILE 8 4.806 6.086 -8.586 55 H ILE 9 H ILE 9 5.000 5.186 -3.383 56 HA ILE 9 HA ILE 9 3.698 7.273 -1.727 57 HB ILE 9 HB ILE 9 6.004 5.390 -1.031 58 1HG1 ILE 9 1HG1 ILE 9 4.373 4.213 0.481 59 2HG1 ILE 9 2HG1 ILE 9 3.071 4.833 -0.393 60 1HG2 ILE 9 1HG2 ILE 9 5.566 6.083 1.265 61 2HG2 ILE 9 2HG2 ILE 9 5.920 7.476 0.262 62 3HG2 ILE 9 3HG2 ILE 9 4.236 7.155 0.710 63 1HD1 ILE 9 1HD1 ILE 9 3.838 2.496 -0.835 64 2HD1 ILE 9 2HD1 ILE 9 3.981 3.439 -2.326 65 3HD1 ILE 9 3HD1 ILE 9 5.432 3.114 -1.310 66 H ASP 10 H ASP 10 4.481 9.252 -2.380 67 HA ASP 10 HA ASP 10 7.392 9.490 -2.950 68 1HB ASP 10 1HB ASP 10 5.121 11.039 -3.681 69 2HB ASP 10 2HB ASP 10 6.083 12.028 -2.620 70 H GLY 11 H GLY 11 8.739 9.493 -1.328 71 1HA GLY 11 1HA GLY 11 9.784 10.909 0.407 72 2HA GLY 11 2HA GLY 11 8.173 11.151 1.129 73 H MET 12 H MET 12 8.585 7.936 0.049 74 HA MET 12 HA MET 12 8.769 6.906 2.708 75 1HB MET 12 1HB MET 12 8.514 4.816 1.768 76 2HB MET 12 2HB MET 12 7.716 5.822 0.640 77 1HG MET 12 1HG MET 12 10.331 4.483 0.373 78 2HG MET 12 2HG MET 12 8.914 4.207 -0.576 79 1HE MET 12 1HE MET 12 12.187 5.814 -2.584 80 2HE MET 12 2HE MET 12 12.329 5.266 -0.908 81 3HE MET 12 3HE MET 12 11.471 4.253 -2.107 82 H HIS 13 H HIS 13 10.475 6.230 3.916 83 HA HIS 13 HA HIS 13 12.762 7.668 3.842 84 1HB HIS 13 1HB HIS 13 12.583 4.865 4.963 85 2HB HIS 13 2HB HIS 13 13.715 6.116 5.472 86 HD1 HIS 13 HD1 HIS 13 12.396 5.164 7.851 87 HD2 HIS 13 HD2 HIS 13 10.496 7.931 5.318 88 HE1 HIS 13 HE1 HIS 13 10.499 6.208 9.200 89 H CYS 14 H CYS 14 12.448 4.650 2.207 90 HA CYS 14 HA CYS 14 14.223 4.250 0.345 91 1HB CYS 14 1HB CYS 14 16.360 3.337 1.225 92 2HB CYS 14 2HB CYS 14 16.200 4.997 1.696 93 HG CYS 14 HG CYS 14 15.723 4.782 4.041 94 H LYS 15 H LYS 15 15.340 1.874 0.688 95 HA LYS 15 HA LYS 15 13.906 -0.402 0.560 96 1HB LYS 15 1HB LYS 15 16.474 0.521 1.874 97 2HB LYS 15 2HB LYS 15 15.939 -1.119 2.243 98 1HG LYS 15 1HG LYS 15 17.540 -1.013 0.355 99 2HG LYS 15 2HG LYS 15 16.024 -1.808 0.006 100 1HD LYS 15 1HD LYS 15 15.253 0.308 -1.188 101 2HD LYS 15 2HD LYS 15 16.917 0.915 -0.990 102 1HE LYS 15 1HE LYS 15 17.747 -1.123 -2.211 103 2HE LYS 15 2HE LYS 15 16.077 -1.703 -2.346 104 1HZ LYS 15 1HZ LYS 15 17.038 0.767 -3.639 105 2HZ LYS 15 2HZ LYS 15 15.512 0.075 -3.715 106 3HZ LYS 15 3HZ LYS 15 16.788 -0.704 -4.333 107 H SER 16 H SER 16 14.783 0.665 3.932 108 HA SER 16 HA SER 16 13.177 -1.233 5.240 109 1HB SER 16 1HB SER 16 13.642 1.557 6.316 110 2HB SER 16 2HB SER 16 13.547 0.013 7.188 111 HG SER 16 HG SER 16 15.734 0.617 6.984 112 H CYS 17 H CYS 17 11.778 1.409 3.416 113 HA CYS 17 HA CYS 17 9.366 1.690 4.946 114 1HB CYS 17 1HB CYS 17 8.414 2.533 2.874 115 2HB CYS 17 2HB CYS 17 10.035 3.219 3.069 116 HG CYS 17 HG CYS 17 11.191 1.688 1.309 117 H VAL 18 H VAL 18 10.514 -0.641 2.515 118 HA VAL 18 HA VAL 18 8.078 -1.811 1.898 119 HB VAL 18 HB VAL 18 10.987 -2.553 1.699 120 1HG1 VAL 18 1HG1 VAL 18 8.891 -4.669 1.345 121 2HG1 VAL 18 2HG1 VAL 18 10.415 -4.704 0.451 122 3HG1 VAL 18 3HG1 VAL 18 10.421 -4.746 2.220 123 1HG2 VAL 18 1HG2 VAL 18 10.160 -1.131 0.041 124 2HG2 VAL 18 2HG2 VAL 18 10.234 -2.714 -0.757 125 3HG2 VAL 18 3HG2 VAL 18 8.690 -2.078 -0.188 126 H SER 19 H SER 19 10.357 -2.879 4.414 127 HA SER 19 HA SER 19 8.955 -5.188 5.302 128 1HB SER 19 1HB SER 19 11.274 -4.460 5.936 129 2HB SER 19 2HB SER 19 10.615 -3.115 6.849 130 HG SER 19 HG SER 19 9.435 -4.912 8.050 131 H ASN 20 H ASN 20 8.484 -1.767 6.205 132 HA ASN 20 HA ASN 20 6.410 -2.271 8.173 133 1HB ASN 20 1HB ASN 20 6.956 0.208 6.553 134 2HB ASN 20 2HB ASN 20 6.054 0.152 8.009 135 1HD2 ASN 20 1HD2 ASN 20 8.523 1.629 7.250 136 2HD2 ASN 20 2HD2 ASN 20 9.774 1.088 8.353 137 H ILE 21 H ILE 21 6.417 -1.450 4.679 138 HA ILE 21 HA ILE 21 3.545 -0.966 4.609 139 HB ILE 21 HB ILE 21 5.161 -1.625 2.139 140 1HG1 ILE 21 1HG1 ILE 21 5.692 0.664 3.945 141 2HG1 ILE 21 2HG1 ILE 21 6.586 -0.031 2.605 142 1HG2 ILE 21 1HG2 ILE 21 2.705 -1.456 1.971 143 2HG2 ILE 21 2HG2 ILE 21 2.755 0.170 2.672 144 3HG2 ILE 21 3HG2 ILE 21 3.480 -0.160 1.076 145 1HD1 ILE 21 1HD1 ILE 21 6.137 2.279 2.141 146 2HD1 ILE 21 2HD1 ILE 21 5.415 1.209 0.932 147 3HD1 ILE 21 3HD1 ILE 21 4.396 1.972 2.173 148 H GLU 22 H GLU 22 5.572 -3.733 3.677 149 HA GLU 22 HA GLU 22 3.701 -5.686 2.927 150 1HB GLU 22 1HB GLU 22 6.282 -5.675 4.542 151 2HB GLU 22 2HB GLU 22 5.457 -7.182 4.228 152 1HG GLU 22 1HG GLU 22 5.678 -6.950 1.842 153 2HG GLU 22 2HG GLU 22 6.236 -5.291 1.993 154 H SER 23 H SER 23 4.907 -4.960 6.214 155 HA SER 23 HA SER 23 3.066 -6.681 7.510 156 1HB SER 23 1HB SER 23 4.614 -4.257 8.602 157 2HB SER 23 2HB SER 23 3.927 -5.569 9.586 158 HG SER 23 HG SER 23 6.171 -5.580 7.861 159 H THR 24 H THR 24 2.809 -3.149 7.145 160 HA THR 24 HA THR 24 0.556 -2.940 8.949 161 HB THR 24 HB THR 24 1.673 -0.926 6.904 162 HG1 THR 24 HG1 THR 24 3.133 -1.416 8.420 163 1HG2 THR 24 1HG2 THR 24 -0.205 -0.546 9.286 164 2HG2 THR 24 2HG2 THR 24 -0.622 -0.288 7.576 165 3HG2 THR 24 3HG2 THR 24 0.570 0.757 8.359 166 H LEU 25 H LEU 25 0.912 -3.210 5.453 167 HA LEU 25 HA LEU 25 -1.964 -2.972 5.015 168 1HB LEU 25 1HB LEU 25 0.374 -3.784 3.301 169 2HB LEU 25 2HB LEU 25 -1.262 -3.894 2.714 170 HG LEU 25 HG LEU 25 0.215 -1.777 2.165 171 1HD1 LEU 25 1HD1 LEU 25 -1.892 -0.472 1.936 172 2HD1 LEU 25 2HD1 LEU 25 -2.724 -1.688 2.917 173 3HD1 LEU 25 3HD1 LEU 25 -2.010 -2.138 1.353 174 1HD2 LEU 25 1HD2 LEU 25 0.736 -1.020 4.446 175 2HD2 LEU 25 2HD2 LEU 25 -1.004 -0.867 4.816 176 3HD2 LEU 25 3HD2 LEU 25 -0.261 0.170 3.625 177 H SER 26 H SER 26 0.371 -5.827 5.157 178 HA SER 26 HA SER 26 -1.845 -7.557 4.360 179 1HB SER 26 1HB SER 26 0.532 -8.074 3.875 180 2HB SER 26 2HB SER 26 0.833 -8.282 5.605 181 HG SER 26 HG SER 26 -0.948 -9.854 5.505 182 H ALA 27 H ALA 27 -1.983 -5.875 6.929 183 HA ALA 27 HA ALA 27 -2.741 -8.004 8.900 184 1HB ALA 27 1HB ALA 27 -2.582 -6.167 10.569 185 2HB ALA 27 2HB ALA 27 -1.044 -6.392 9.711 186 3HB ALA 27 3HB ALA 27 -2.104 -5.033 9.285 187 H LEU 28 H LEU 28 -4.084 -6.010 6.459 188 HA LEU 28 HA LEU 28 -6.250 -4.987 8.062 189 1HB LEU 28 1HB LEU 28 -5.872 -4.974 5.053 190 2HB LEU 28 2HB LEU 28 -7.059 -4.037 5.946 191 HG LEU 28 HG LEU 28 -4.090 -3.699 6.514 192 1HD1 LEU 28 1HD1 LEU 28 -5.578 -1.958 4.535 193 2HD1 LEU 28 2HD1 LEU 28 -4.631 -3.381 4.010 194 3HD1 LEU 28 3HD1 LEU 28 -3.859 -2.056 4.875 195 1HD2 LEU 28 1HD2 LEU 28 -4.772 -1.471 7.209 196 2HD2 LEU 28 2HD2 LEU 28 -5.649 -2.712 8.125 197 3HD2 LEU 28 3HD2 LEU 28 -6.473 -1.846 6.805 198 H GLN 29 H GLN 29 -8.167 -5.992 8.454 199 HA GLN 29 HA GLN 29 -8.600 -8.681 7.919 200 1HB GLN 29 1HB GLN 29 -9.609 -7.279 9.713 201 2HB GLN 29 2HB GLN 29 -10.694 -6.542 8.526 202 1HG GLN 29 1HG GLN 29 -11.868 -8.619 8.182 203 2HG GLN 29 2HG GLN 29 -10.628 -9.542 9.044 204 1HE2 GLN 29 1HE2 GLN 29 -10.471 -9.252 11.434 205 2HE2 GLN 29 2HE2 GLN 29 -11.907 -8.642 12.269 206 H TYR 30 H TYR 30 -9.278 -6.131 5.667 207 HA TYR 30 HA TYR 30 -10.886 -7.917 3.932 208 1HB TYR 30 1HB TYR 30 -11.032 -5.805 2.541 209 2HB TYR 30 2HB TYR 30 -11.847 -5.825 4.090 210 HD1 TYR 30 HD1 TYR 30 -8.221 -4.938 3.136 211 HD2 TYR 30 HD2 TYR 30 -11.919 -3.735 5.050 212 HE1 TYR 30 HE1 TYR 30 -7.282 -2.756 3.611 213 HE2 TYR 30 HE2 TYR 30 -10.896 -1.541 5.612 214 HH TYR 30 HH TYR 30 -7.599 -0.653 4.543 215 H VAL 31 H VAL 31 -7.493 -7.494 4.272 216 HA VAL 31 HA VAL 31 -7.154 -7.382 1.309 217 HB VAL 31 HB VAL 31 -5.867 -5.691 2.654 218 1HG1 VAL 31 1HG1 VAL 31 -4.223 -8.066 3.348 219 2HG1 VAL 31 2HG1 VAL 31 -3.805 -6.331 3.431 220 3HG1 VAL 31 3HG1 VAL 31 -5.147 -6.948 4.420 221 1HG2 VAL 31 1HG2 VAL 31 -4.143 -7.601 0.979 222 2HG2 VAL 31 2HG2 VAL 31 -5.185 -6.315 0.287 223 3HG2 VAL 31 3HG2 VAL 31 -3.808 -5.915 1.315 224 H SER 32 H SER 32 -6.170 -9.052 0.171 225 HA SER 32 HA SER 32 -5.921 -11.635 1.674 226 1HB SER 32 1HB SER 32 -7.847 -11.393 0.081 227 2HB SER 32 2HB SER 32 -6.668 -11.251 -1.238 228 HG SER 32 HG SER 32 -5.801 -13.299 -0.425 229 H SER 33 H SER 33 -4.028 -9.353 -0.082 230 HA SER 33 HA SER 33 -1.673 -10.797 0.492 231 1HB SER 33 1HB SER 33 -2.549 -11.928 -1.766 232 2HB SER 33 2HB SER 33 -1.808 -10.536 -2.496 233 HG SER 33 HG SER 33 -0.427 -12.415 -2.150 234 H ILE 34 H ILE 34 0.213 -9.906 -0.625 235 HA ILE 34 HA ILE 34 0.076 -7.353 -1.834 236 HB ILE 34 HB ILE 34 -0.238 -6.657 0.532 237 1HG1 ILE 34 1HG1 ILE 34 2.546 -5.759 -0.315 238 2HG1 ILE 34 2HG1 ILE 34 1.064 -5.207 -1.108 239 1HG2 ILE 34 1HG2 ILE 34 1.003 -8.535 1.622 240 2HG2 ILE 34 2HG2 ILE 34 2.535 -7.812 1.096 241 3HG2 ILE 34 3HG2 ILE 34 1.491 -6.960 2.241 242 1HD1 ILE 34 1HD1 ILE 34 1.733 -4.810 1.837 243 2HD1 ILE 34 2HD1 ILE 34 1.768 -3.579 0.563 244 3HD1 ILE 34 3HD1 ILE 34 0.228 -4.331 1.030 245 H VAL 35 H VAL 35 1.932 -6.647 -2.754 246 HA VAL 35 HA VAL 35 4.541 -7.997 -2.330 247 HB VAL 35 HB VAL 35 3.101 -7.629 -4.994 248 1HG1 VAL 35 1HG1 VAL 35 6.110 -7.962 -4.621 249 2HG1 VAL 35 2HG1 VAL 35 5.244 -8.197 -6.155 250 3HG1 VAL 35 3HG1 VAL 35 5.268 -6.604 -5.410 251 1HG2 VAL 35 1HG2 VAL 35 4.692 -9.911 -3.733 252 2HG2 VAL 35 2HG2 VAL 35 2.916 -9.857 -3.895 253 3HG2 VAL 35 3HG2 VAL 35 3.928 -9.986 -5.342 254 H VAL 36 H VAL 36 6.238 -6.477 -2.569 255 HA VAL 36 HA VAL 36 5.450 -3.752 -3.448 256 HB VAL 36 HB VAL 36 5.083 -3.850 -0.992 257 1HG1 VAL 36 1HG1 VAL 36 6.824 -5.409 -0.353 258 2HG1 VAL 36 2HG1 VAL 36 8.082 -4.277 -0.882 259 3HG1 VAL 36 3HG1 VAL 36 7.027 -3.856 0.489 260 1HG2 VAL 36 1HG2 VAL 36 6.234 -1.770 -0.424 261 2HG2 VAL 36 2HG2 VAL 36 7.269 -1.922 -1.863 262 3HG2 VAL 36 3HG2 VAL 36 5.528 -1.701 -2.038 263 H SER 37 H SER 37 7.090 -2.372 -4.047 264 HA SER 37 HA SER 37 9.247 -3.897 -5.439 265 1HB SER 37 1HB SER 37 7.885 -1.235 -5.962 266 2HB SER 37 2HB SER 37 9.126 -1.948 -6.991 267 HG SER 37 HG SER 37 6.646 -3.165 -6.312 268 H LEU 38 H LEU 38 10.947 -3.871 -3.919 269 HA LEU 38 HA LEU 38 11.853 -1.722 -2.336 270 1HB LEU 38 1HB LEU 38 12.353 -4.295 -2.363 271 2HB LEU 38 2HB LEU 38 13.682 -3.829 -3.427 272 HG LEU 38 HG LEU 38 14.345 -2.106 -1.637 273 1HD1 LEU 38 1HD1 LEU 38 12.360 -3.680 0.009 274 2HD1 LEU 38 2HD1 LEU 38 12.385 -1.911 -0.275 275 3HD1 LEU 38 3HD1 LEU 38 13.626 -2.672 0.709 276 1HD2 LEU 38 1HD2 LEU 38 15.327 -3.817 -0.146 277 2HD2 LEU 38 2HD2 LEU 38 15.568 -4.138 -1.894 278 3HD2 LEU 38 3HD2 LEU 38 14.327 -5.040 -0.954 279 H GLU 39 H GLU 39 12.712 -2.444 -5.656 280 HA GLU 39 HA GLU 39 14.707 -0.298 -5.720 281 1HB GLU 39 1HB GLU 39 13.665 -2.045 -7.974 282 2HB GLU 39 2HB GLU 39 15.008 -0.912 -8.040 283 1HG GLU 39 1HG GLU 39 14.833 -3.569 -6.604 284 2HG GLU 39 2HG GLU 39 16.065 -3.017 -7.743 285 H ASN 40 H ASN 40 11.549 -0.157 -5.633 286 HA ASN 40 HA ASN 40 11.273 2.411 -7.121 287 1HB ASN 40 1HB ASN 40 9.162 0.264 -6.803 288 2HB ASN 40 2HB ASN 40 8.952 1.823 -7.568 289 1HD2 ASN 40 1HD2 ASN 40 11.898 1.284 -8.730 290 2HD2 ASN 40 2HD2 ASN 40 11.450 0.384 -10.145 291 H ARG 41 H ARG 41 8.910 3.128 -6.225 292 HA ARG 41 HA ARG 41 8.954 3.186 -3.251 293 1HB ARG 41 1HB ARG 41 8.215 5.537 -3.416 294 2HB ARG 41 2HB ARG 41 9.823 5.234 -4.001 295 1HG ARG 41 1HG ARG 41 8.159 5.068 -6.297 296 2HG ARG 41 2HG ARG 41 7.520 6.419 -5.372 297 1HD ARG 41 1HD ARG 41 10.518 6.236 -5.709 298 2HD ARG 41 2HD ARG 41 9.565 6.571 -7.125 299 HE ARG 41 HE ARG 41 8.524 8.460 -5.549 300 1HH1 ARG 41 1HH1 ARG 41 11.984 7.654 -5.668 301 2HH1 ARG 41 2HH1 ARG 41 12.431 9.303 -5.323 302 1HH2 ARG 41 1HH2 ARG 41 9.184 10.482 -5.168 303 2HH2 ARG 41 2HH2 ARG 41 10.870 10.878 -4.958 304 H SER 42 H SER 42 7.492 1.266 -4.882 305 HA SER 42 HA SER 42 4.688 2.090 -4.319 306 1HB SER 42 1HB SER 42 4.155 0.999 -6.603 307 2HB SER 42 2HB SER 42 4.851 2.605 -6.574 308 HG SER 42 HG SER 42 6.075 0.155 -7.308 309 H ALA 43 H ALA 43 3.121 0.486 -4.378 310 HA ALA 43 HA ALA 43 3.944 -2.310 -3.643 311 1HB ALA 43 1HB ALA 43 2.358 -2.175 -1.780 312 2HB ALA 43 2HB ALA 43 3.504 -0.837 -1.614 313 3HB ALA 43 3HB ALA 43 1.877 -0.530 -2.241 314 H ILE 44 H ILE 44 2.543 -3.909 -4.206 315 HA ILE 44 HA ILE 44 0.100 -3.238 -5.810 316 HB ILE 44 HB ILE 44 2.041 -5.568 -6.106 317 1HG1 ILE 44 1HG1 ILE 44 1.257 -3.399 -8.117 318 2HG1 ILE 44 2HG1 ILE 44 2.711 -3.312 -7.130 319 1HG2 ILE 44 1HG2 ILE 44 0.511 -6.328 -7.922 320 2HG2 ILE 44 2HG2 ILE 44 -0.313 -6.311 -6.373 321 3HG2 ILE 44 3HG2 ILE 44 -0.606 -5.001 -7.537 322 1HD1 ILE 44 1HD1 ILE 44 3.514 -5.458 -8.132 323 2HD1 ILE 44 2HD1 ILE 44 2.114 -5.429 -9.233 324 3HD1 ILE 44 3HD1 ILE 44 3.321 -4.139 -9.302 325 H VAL 45 H VAL 45 -1.640 -3.694 -4.658 326 HA VAL 45 HA VAL 45 -1.399 -5.503 -2.260 327 HB VAL 45 HB VAL 45 -3.087 -3.014 -2.548 328 1HG1 VAL 45 1HG1 VAL 45 -3.312 -3.274 -0.076 329 2HG1 VAL 45 2HG1 VAL 45 -3.920 -4.692 -0.926 330 3HG1 VAL 45 3HG1 VAL 45 -2.320 -4.745 -0.146 331 1HG2 VAL 45 1HG2 VAL 45 -0.420 -3.288 -1.107 332 2HG2 VAL 45 2HG2 VAL 45 -0.742 -2.277 -2.529 333 3HG2 VAL 45 3HG2 VAL 45 -1.516 -1.895 -0.993 334 H VAL 46 H VAL 46 -2.955 -7.091 -2.160 335 HA VAL 46 HA VAL 46 -5.046 -7.172 -4.304 336 HB VAL 46 HB VAL 46 -3.656 -9.473 -2.878 337 1HG1 VAL 46 1HG1 VAL 46 -5.411 -9.530 -5.354 338 2HG1 VAL 46 2HG1 VAL 46 -4.614 -10.918 -4.588 339 3HG1 VAL 46 3HG1 VAL 46 -5.885 -10.053 -3.720 340 1HG2 VAL 46 1HG2 VAL 46 -3.007 -8.395 -5.641 341 2HG2 VAL 46 2HG2 VAL 46 -1.947 -8.408 -4.216 342 3HG2 VAL 46 3HG2 VAL 46 -2.421 -9.932 -4.960 343 H TYR 47 H TYR 47 -7.110 -7.025 -3.408 344 HA TYR 47 HA TYR 47 -7.518 -7.770 -0.538 345 1HB TYR 47 1HB TYR 47 -8.458 -5.657 0.009 346 2HB TYR 47 2HB TYR 47 -6.891 -5.348 -0.693 347 HD1 TYR 47 HD1 TYR 47 -6.809 -4.694 -3.234 348 HD2 TYR 47 HD2 TYR 47 -10.414 -4.599 -0.876 349 HE1 TYR 47 HE1 TYR 47 -7.850 -3.194 -4.899 350 HE2 TYR 47 HE2 TYR 47 -11.467 -3.117 -2.556 351 HH TYR 47 HH TYR 47 -9.765 -2.189 -5.571 352 H ASN 48 H ASN 48 -9.849 -8.044 0.065 353 HA ASN 48 HA ASN 48 -11.297 -9.045 -2.332 354 1HB ASN 48 1HB ASN 48 -10.861 -10.602 -0.465 355 2HB ASN 48 2HB ASN 48 -11.807 -9.559 0.617 356 1HD2 ASN 48 1HD2 ASN 48 -12.025 -11.727 -2.293 357 2HD2 ASN 48 2HD2 ASN 48 -13.765 -11.844 -2.190 358 H ALA 49 H ALA 49 -13.247 -8.333 -3.004 359 HA ALA 49 HA ALA 49 -14.994 -6.436 -1.762 360 1HB ALA 49 1HB ALA 49 -12.978 -5.342 -3.784 361 2HB ALA 49 2HB ALA 49 -14.361 -4.451 -3.112 362 3HB ALA 49 3HB ALA 49 -13.035 -4.929 -2.059 363 H SER 50 H SER 50 -16.221 -5.301 -3.667 364 HA SER 50 HA SER 50 -16.505 -6.934 -6.098 365 1HB SER 50 1HB SER 50 -18.229 -7.958 -4.756 366 2HB SER 50 2HB SER 50 -18.852 -6.377 -4.256 367 HG SER 50 HG SER 50 -18.811 -7.364 -6.943 368 H SER 51 H SER 51 -17.677 -4.079 -4.219 369 HA SER 51 HA SER 51 -17.677 -2.336 -6.584 370 1HB SER 51 1HB SER 51 -17.900 -0.563 -4.778 371 2HB SER 51 2HB SER 51 -19.191 -1.774 -4.797 372 HG SER 51 HG SER 51 -17.005 -1.585 -2.986 373 H VAL 52 H VAL 52 -15.685 -1.536 -7.412 374 HA VAL 52 HA VAL 52 -13.203 -2.161 -6.161 375 HB VAL 52 HB VAL 52 -12.175 -0.457 -7.699 376 1HG1 VAL 52 1HG1 VAL 52 -12.505 -1.866 -9.678 377 2HG1 VAL 52 2HG1 VAL 52 -12.395 -2.869 -8.220 378 3HG1 VAL 52 3HG1 VAL 52 -13.979 -2.558 -8.969 379 1HG2 VAL 52 1HG2 VAL 52 -14.080 1.092 -8.096 380 2HG2 VAL 52 2HG2 VAL 52 -13.529 0.371 -9.606 381 3HG2 VAL 52 3HG2 VAL 52 -15.010 -0.228 -8.838 382 H THR 53 H THR 53 -12.369 -1.420 -4.370 383 HA THR 53 HA THR 53 -13.010 1.357 -3.431 384 HB THR 53 HB THR 53 -13.165 -1.095 -1.654 385 HG1 THR 53 HG1 THR 53 -14.812 -1.166 -3.224 386 1HG2 THR 53 1HG2 THR 53 -14.454 0.448 -0.205 387 2HG2 THR 53 2HG2 THR 53 -14.191 1.773 -1.358 388 3HG2 THR 53 3HG2 THR 53 -12.823 1.073 -0.462 389 HA PRO 54 HA PRO 54 -8.460 0.275 -2.898 390 1HB PRO 54 1HB PRO 54 -7.277 2.038 -4.568 391 2HB PRO 54 2HB PRO 54 -8.094 0.570 -5.184 392 1HG PRO 54 1HG PRO 54 -9.257 3.374 -4.972 393 2HG PRO 54 2HG PRO 54 -9.194 2.318 -6.423 394 1HD PRO 54 1HD PRO 54 -11.397 2.404 -4.818 395 2HD PRO 54 2HD PRO 54 -10.839 0.877 -5.566 396 H GLU 55 H GLU 55 -10.355 3.101 -2.248 397 HA GLU 55 HA GLU 55 -8.445 4.996 -1.524 398 1HB GLU 55 1HB GLU 55 -10.227 6.225 -0.973 399 2HB GLU 55 2HB GLU 55 -11.139 4.856 -1.552 400 1HG GLU 55 1HG GLU 55 -12.225 5.538 0.359 401 2HG GLU 55 2HG GLU 55 -11.462 4.006 0.727 402 H SER 56 H SER 56 -9.866 2.415 0.625 403 HA SER 56 HA SER 56 -8.551 3.574 2.754 404 1HB SER 56 1HB SER 56 -9.743 0.821 2.658 405 2HB SER 56 2HB SER 56 -9.463 1.832 4.071 406 HG SER 56 HG SER 56 -10.818 3.485 2.941 407 H LEU 57 H LEU 57 -7.421 1.306 0.402 408 HA LEU 57 HA LEU 57 -5.221 0.178 1.991 409 1HB LEU 57 1HB LEU 57 -5.545 0.459 -1.001 410 2HB LEU 57 2HB LEU 57 -4.294 -0.463 -0.178 411 HG LEU 57 HG LEU 57 -7.279 -1.070 -0.343 412 1HD1 LEU 57 1HD1 LEU 57 -4.738 -2.067 -1.614 413 2HD1 LEU 57 2HD1 LEU 57 -6.337 -1.853 -2.324 414 3HD1 LEU 57 3HD1 LEU 57 -5.991 -3.267 -1.282 415 1HD2 LEU 57 1HD2 LEU 57 -6.893 -3.126 0.896 416 2HD2 LEU 57 2HD2 LEU 57 -6.487 -1.725 1.902 417 3HD2 LEU 57 3HD2 LEU 57 -5.190 -2.707 1.183 418 H ARG 58 H ARG 58 -5.548 2.945 -0.346 419 HA ARG 58 HA ARG 58 -2.925 3.968 -0.201 420 1HB ARG 58 1HB ARG 58 -4.650 4.837 -1.720 421 2HB ARG 58 2HB ARG 58 -5.642 5.324 -0.402 422 1HG ARG 58 1HG ARG 58 -3.376 6.707 0.198 423 2HG ARG 58 2HG ARG 58 -3.292 6.707 -1.559 424 1HD ARG 58 1HD ARG 58 -5.434 7.830 -1.726 425 2HD ARG 58 2HD ARG 58 -5.777 7.539 -0.009 426 HE ARG 58 HE ARG 58 -3.999 9.055 0.621 427 1HH1 ARG 58 1HH1 ARG 58 -5.200 9.572 -2.648 428 2HH1 ARG 58 2HH1 ARG 58 -4.447 11.149 -2.760 429 1HH2 ARG 58 1HH2 ARG 58 -3.035 10.937 0.414 430 2HH2 ARG 58 2HH2 ARG 58 -3.226 11.952 -1.002 431 H LYS 59 H LYS 59 -5.771 4.709 1.859 432 HA LYS 59 HA LYS 59 -4.526 6.219 3.862 433 1HB LYS 59 1HB LYS 59 -7.012 4.655 3.514 434 2HB LYS 59 2HB LYS 59 -6.498 4.764 5.176 435 1HG LYS 59 1HG LYS 59 -8.013 6.543 4.662 436 2HG LYS 59 2HG LYS 59 -6.413 7.217 5.025 437 1HD LYS 59 1HD LYS 59 -5.970 7.545 2.628 438 2HD LYS 59 2HD LYS 59 -7.490 6.768 2.208 439 1HE LYS 59 1HE LYS 59 -7.194 9.319 3.866 440 2HE LYS 59 2HE LYS 59 -7.557 9.276 2.132 441 1HZ LYS 59 1HZ LYS 59 -9.615 9.461 3.400 442 2HZ LYS 59 2HZ LYS 59 -9.277 8.054 4.215 443 3HZ LYS 59 3HZ LYS 59 -9.556 8.015 2.630 444 H ALA 60 H ALA 60 -4.742 2.576 3.766 445 HA ALA 60 HA ALA 60 -3.549 2.248 6.358 446 1HB ALA 60 1HB ALA 60 -3.591 0.390 3.938 447 2HB ALA 60 2HB ALA 60 -3.251 -0.056 5.629 448 3HB ALA 60 3HB ALA 60 -4.867 0.525 5.170 449 H ILE 61 H ILE 61 -2.105 2.754 3.159 450 HA ILE 61 HA ILE 61 0.604 2.366 4.120 451 HB ILE 61 HB ILE 61 -0.295 3.885 1.627 452 1HG1 ILE 61 1HG1 ILE 61 0.442 0.949 1.778 453 2HG1 ILE 61 2HG1 ILE 61 -1.177 1.551 1.635 454 1HG2 ILE 61 1HG2 ILE 61 2.330 2.695 2.576 455 2HG2 ILE 61 2HG2 ILE 61 2.061 3.071 0.866 456 3HG2 ILE 61 3HG2 ILE 61 1.987 4.354 2.038 457 1HD1 ILE 61 1HD1 ILE 61 -0.619 2.631 -0.528 458 2HD1 ILE 61 2HD1 ILE 61 0.962 1.807 -0.478 459 3HD1 ILE 61 3HD1 ILE 61 -0.528 0.859 -0.517 460 H GLU 62 H GLU 62 -1.339 5.339 3.422 461 HA GLU 62 HA GLU 62 0.504 7.210 4.447 462 1HB GLU 62 1HB GLU 62 -2.549 7.252 4.491 463 2HB GLU 62 2HB GLU 62 -1.494 8.615 4.894 464 1HG GLU 62 1HG GLU 62 -0.509 8.635 2.698 465 2HG GLU 62 2HG GLU 62 -1.442 7.187 2.246 466 H ALA 63 H ALA 63 -1.503 4.918 6.256 467 HA ALA 63 HA ALA 63 -1.135 6.309 8.786 468 1HB ALA 63 1HB ALA 63 -2.211 3.527 8.132 469 2HB ALA 63 2HB ALA 63 -2.362 4.351 9.696 470 3HB ALA 63 3HB ALA 63 -3.192 5.008 8.271 471 H VAL 64 H VAL 64 1.102 4.731 7.059 472 HA VAL 64 HA VAL 64 2.374 3.422 9.409 473 HB VAL 64 HB VAL 64 2.123 2.320 6.970 474 1HG1 VAL 64 1HG1 VAL 64 3.419 4.028 5.830 475 2HG1 VAL 64 2HG1 VAL 64 4.878 3.398 6.615 476 3HG1 VAL 64 3HG1 VAL 64 3.882 2.327 5.588 477 1HG2 VAL 64 1HG2 VAL 64 4.009 0.872 7.626 478 2HG2 VAL 64 2HG2 VAL 64 4.725 2.193 8.603 479 3HG2 VAL 64 3HG2 VAL 64 3.228 1.399 9.133 480 H SER 65 H SER 65 2.827 6.048 7.047 481 HA SER 65 HA SER 65 4.472 7.335 9.093 482 1HB SER 65 1HB SER 65 5.778 7.700 6.489 483 2HB SER 65 2HB SER 65 6.353 7.532 8.152 484 HG SER 65 HG SER 65 5.720 5.244 7.905 485 HA PRO 66 HA PRO 66 1.091 9.827 7.149 486 1HB PRO 66 1HB PRO 66 0.160 10.872 9.591 487 2HB PRO 66 2HB PRO 66 -0.467 9.431 8.743 488 1HG PRO 66 1HG PRO 66 1.583 9.553 10.970 489 2HG PRO 66 2HG PRO 66 0.189 8.431 10.796 490 1HD PRO 66 1HD PRO 66 2.628 7.559 10.097 491 2HD PRO 66 2HD PRO 66 1.287 7.234 9.038 492 H GLY 67 H GLY 67 1.062 11.923 6.633 493 1HA GLY 67 1HA GLY 67 1.718 14.166 6.490 494 2HA GLY 67 2HA GLY 67 2.796 13.941 7.897 495 H LEU 68 H LEU 68 4.112 11.602 6.729 496 HA LEU 68 HA LEU 68 6.058 12.993 4.975 497 1HB LEU 68 1HB LEU 68 6.805 11.935 7.018 498 2HB LEU 68 2HB LEU 68 6.051 10.406 6.586 499 HG LEU 68 HG LEU 68 7.658 9.998 4.827 500 1HD1 LEU 68 1HD1 LEU 68 8.805 12.736 5.515 501 2HD1 LEU 68 2HD1 LEU 68 8.073 12.248 3.966 502 3HD1 LEU 68 3HD1 LEU 68 9.594 11.517 4.482 503 1HD2 LEU 68 1HD2 LEU 68 9.703 9.898 6.247 504 2HD2 LEU 68 2HD2 LEU 68 8.250 9.385 7.133 505 3HD2 LEU 68 3HD2 LEU 68 8.946 10.998 7.409 506 H TYR 69 H TYR 69 3.959 10.115 4.946 507 HA TYR 69 HA TYR 69 4.836 9.235 2.328 508 1HB TYR 69 1HB TYR 69 2.739 8.377 4.342 509 2HB TYR 69 2HB TYR 69 2.662 7.802 2.701 510 HD1 TYR 69 HD1 TYR 69 6.066 8.276 4.082 511 HD2 TYR 69 HD2 TYR 69 2.794 5.534 3.502 512 HE1 TYR 69 HE1 TYR 69 7.539 6.366 4.572 513 HE2 TYR 69 HE2 TYR 69 4.266 3.656 3.709 514 HH TYR 69 HH TYR 69 7.647 4.142 4.887 515 H ARG 70 H ARG 70 4.450 10.529 0.609 516 HA ARG 70 HA ARG 70 1.802 11.655 0.067 517 1HB ARG 70 1HB ARG 70 4.163 12.507 -0.636 518 2HB ARG 70 2HB ARG 70 4.102 11.297 -1.828 519 1HG ARG 70 1HG ARG 70 2.687 12.412 -3.209 520 2HG ARG 70 2HG ARG 70 1.622 12.878 -1.873 521 1HD ARG 70 1HD ARG 70 2.600 14.886 -2.800 522 2HD ARG 70 2HD ARG 70 3.181 14.563 -1.152 523 HE ARG 70 HE ARG 70 4.799 13.740 -3.555 524 1HH1 ARG 70 1HH1 ARG 70 4.750 15.571 -0.545 525 2HH1 ARG 70 2HH1 ARG 70 6.443 15.956 -0.655 526 1HH2 ARG 70 1HH2 ARG 70 6.984 14.125 -3.564 527 2HH2 ARG 70 2HH2 ARG 70 7.680 15.169 -2.371 528 H VAL 71 H VAL 71 0.614 9.642 0.240 529 HA VAL 71 HA VAL 71 1.227 7.575 -1.787 530 HB VAL 71 HB VAL 71 -1.089 7.408 0.111 531 1HG1 VAL 71 1HG1 VAL 71 -1.176 5.793 -1.794 532 2HG1 VAL 71 2HG1 VAL 71 0.473 5.260 -1.412 533 3HG1 VAL 71 3HG1 VAL 71 -0.859 4.977 -0.271 534 1HG2 VAL 71 1HG2 VAL 71 0.458 6.012 1.505 535 2HG2 VAL 71 2HG2 VAL 71 1.798 6.438 0.417 536 3HG2 VAL 71 3HG2 VAL 71 0.999 7.680 1.385 537 H SER 72 H SER 72 0.315 7.148 -3.622 538 HA SER 72 HA SER 72 -2.428 8.050 -4.221 539 1HB SER 72 1HB SER 72 0.085 9.099 -5.533 540 2HB SER 72 2HB SER 72 -1.436 9.002 -6.400 541 HG SER 72 HG SER 72 -1.116 10.223 -3.863 542 H ILE 73 H ILE 73 -3.052 7.251 -6.464 543 HA ILE 73 HA ILE 73 -2.231 4.376 -6.643 544 HB ILE 73 HB ILE 73 -4.693 5.883 -7.649 545 1HG1 ILE 73 1HG1 ILE 73 -4.462 3.813 -5.434 546 2HG1 ILE 73 2HG1 ILE 73 -4.561 5.546 -5.136 547 1HG2 ILE 73 1HG2 ILE 73 -4.222 2.866 -7.675 548 2HG2 ILE 73 2HG2 ILE 73 -5.638 3.728 -8.293 549 3HG2 ILE 73 3HG2 ILE 73 -4.100 3.914 -9.112 550 1HD1 ILE 73 1HD1 ILE 73 -6.723 4.612 -4.751 551 2HD1 ILE 73 2HD1 ILE 73 -6.806 5.593 -6.230 552 3HD1 ILE 73 3HD1 ILE 73 -6.746 3.815 -6.331 553 H THR 74 H THR 74 -1.222 3.575 -8.293 554 HA THR 74 HA THR 74 -0.245 5.454 -10.314 555 HB THR 74 HB THR 74 0.645 2.569 -10.263 556 HG1 THR 74 HG1 THR 74 1.162 4.495 -8.270 557 1HG2 THR 74 1HG2 THR 74 2.820 3.698 -10.538 558 2HG2 THR 74 2HG2 THR 74 2.044 5.279 -10.268 559 3HG2 THR 74 3HG2 THR 74 1.655 4.330 -11.727 560 H SER 75 H SER 75 -2.035 5.818 -11.703 561 HA SER 75 HA SER 75 -2.261 3.887 -13.879 562 1HB SER 75 1HB SER 75 -4.656 4.626 -12.144 563 2HB SER 75 2HB SER 75 -4.783 3.904 -13.744 564 HG SER 75 HG SER 75 -3.101 2.581 -11.942 565 H GLU 76 H GLU 76 -3.777 4.853 -15.606 566 HA GLU 76 HA GLU 76 -3.441 7.786 -15.777 567 1HB GLU 76 1HB GLU 76 -2.940 6.428 -17.766 568 2HB GLU 76 2HB GLU 76 -4.591 5.781 -17.768 569 1HG GLU 76 1HG GLU 76 -5.543 7.942 -18.210 570 2HG GLU 76 2HG GLU 76 -4.031 8.773 -17.814 571 H VAL 77 H VAL 77 -4.956 8.990 -15.059 572 HA VAL 77 HA VAL 77 -7.804 8.244 -14.859 573 HB VAL 77 HB VAL 77 -7.979 8.934 -12.561 574 1HG1 VAL 77 1HG1 VAL 77 -6.771 7.257 -11.347 575 2HG1 VAL 77 2HG1 VAL 77 -7.233 6.576 -12.911 576 3HG1 VAL 77 3HG1 VAL 77 -5.552 7.095 -12.615 577 1HG2 VAL 77 1HG2 VAL 77 -5.004 9.597 -12.619 578 2HG2 VAL 77 2HG2 VAL 77 -6.355 10.748 -12.412 579 3HG2 VAL 77 3HG2 VAL 77 -6.014 9.556 -11.162 Start of MODEL 20 1 1H ASN 1 1HT ASN 1 -13.185 -11.544 -7.542 2 HA ASN 1 HA ASN 1 -14.535 -12.664 -5.326 3 1HB ASN 1 1HB ASN 1 -13.908 -14.881 -5.931 4 2HB ASN 1 2HB ASN 1 -12.346 -14.375 -6.564 5 1HD2 ASN 1 1HD2 ASN 1 -10.555 -14.631 -5.256 6 2HD2 ASN 1 2HD2 ASN 1 -10.702 -15.137 -3.573 7 H ASP 2 H ASP 2 -11.143 -12.605 -6.257 8 HA ASP 2 HA ASP 2 -10.324 -10.547 -4.400 9 1HB ASP 2 1HB ASP 2 -8.091 -11.034 -5.563 10 2HB ASP 2 2HB ASP 2 -8.801 -12.294 -4.573 11 H SER 3 H SER 3 -9.185 -8.734 -5.041 12 HA SER 3 HA SER 3 -9.421 -7.621 -7.751 13 1HB SER 3 1HB SER 3 -11.354 -6.825 -6.322 14 2HB SER 3 2HB SER 3 -10.181 -6.156 -5.187 15 HG SER 3 HG SER 3 -11.000 -5.305 -7.715 16 H THR 4 H THR 4 -8.195 -5.239 -7.305 17 HA THR 4 HA THR 4 -5.757 -5.444 -5.788 18 HB THR 4 HB THR 4 -5.709 -6.452 -8.629 19 HG1 THR 4 HG1 THR 4 -5.694 -7.653 -6.546 20 1HG2 THR 4 1HG2 THR 4 -3.979 -4.687 -8.700 21 2HG2 THR 4 2HG2 THR 4 -3.228 -6.284 -8.610 22 3HG2 THR 4 3HG2 THR 4 -3.304 -5.271 -7.156 23 H ALA 5 H ALA 5 -4.637 -3.653 -5.754 24 HA ALA 5 HA ALA 5 -4.972 -1.576 -7.802 25 1HB ALA 5 1HB ALA 5 -5.522 -1.099 -4.847 26 2HB ALA 5 2HB ALA 5 -5.309 0.197 -6.042 27 3HB ALA 5 3HB ALA 5 -6.682 -0.936 -6.182 28 H THR 6 H THR 6 -3.357 0.137 -7.551 29 HA THR 6 HA THR 6 -0.788 -0.813 -6.353 30 HB THR 6 HB THR 6 -1.198 0.477 -9.046 31 HG1 THR 6 HG1 THR 6 -0.881 -1.508 -9.888 32 1HG2 THR 6 1HG2 THR 6 0.979 0.989 -8.133 33 2HG2 THR 6 2HG2 THR 6 1.180 -0.215 -9.415 34 3HG2 THR 6 3HG2 THR 6 1.256 -0.711 -7.703 35 H PHE 7 H PHE 7 0.484 0.707 -5.519 36 HA PHE 7 HA PHE 7 -0.446 3.516 -5.534 37 1HB PHE 7 1HB PHE 7 0.168 2.105 -2.928 38 2HB PHE 7 2HB PHE 7 -0.534 3.690 -3.203 39 HD1 PHE 7 HD1 PHE 7 -1.439 -0.017 -3.493 40 HD2 PHE 7 HD2 PHE 7 -2.828 4.079 -3.481 41 HE1 PHE 7 HE1 PHE 7 -3.720 -0.794 -3.499 42 HE2 PHE 7 HE2 PHE 7 -5.164 3.252 -3.434 43 HZ PHE 7 HZ PHE 7 -5.618 0.822 -3.460 44 H ILE 8 H ILE 8 1.074 5.097 -4.855 45 HA ILE 8 HA ILE 8 3.853 4.203 -4.482 46 HB ILE 8 HB ILE 8 3.379 4.371 -6.901 47 1HG1 ILE 8 1HG1 ILE 8 5.301 6.571 -6.001 48 2HG1 ILE 8 2HG1 ILE 8 5.569 4.865 -5.677 49 1HG2 ILE 8 1HG2 ILE 8 3.093 6.500 -8.044 50 2HG2 ILE 8 2HG2 ILE 8 1.738 6.166 -6.962 51 3HG2 ILE 8 3HG2 ILE 8 2.991 7.347 -6.489 52 1HD1 ILE 8 1HD1 ILE 8 6.822 5.492 -7.650 53 2HD1 ILE 8 2HD1 ILE 8 5.566 4.301 -8.047 54 3HD1 ILE 8 3HD1 ILE 8 5.336 6.021 -8.460 55 H ILE 9 H ILE 9 5.041 5.317 -3.225 56 HA ILE 9 HA ILE 9 3.740 7.513 -1.760 57 HB ILE 9 HB ILE 9 5.944 5.665 -0.781 58 1HG1 ILE 9 1HG1 ILE 9 4.165 4.557 0.604 59 2HG1 ILE 9 2HG1 ILE 9 2.957 5.187 -0.396 60 1HG2 ILE 9 1HG2 ILE 9 4.061 7.665 0.577 61 2HG2 ILE 9 2HG2 ILE 9 5.117 6.529 1.444 62 3HG2 ILE 9 3HG2 ILE 9 5.797 7.783 0.415 63 1HD1 ILE 9 1HD1 ILE 9 5.240 3.333 -1.158 64 2HD1 ILE 9 2HD1 ILE 9 3.615 2.815 -0.714 65 3HD1 ILE 9 3HD1 ILE 9 3.841 3.717 -2.214 66 H ASP 10 H ASP 10 4.573 9.450 -2.121 67 HA ASP 10 HA ASP 10 7.030 9.714 -3.513 68 1HB ASP 10 1HB ASP 10 4.624 11.245 -2.984 69 2HB ASP 10 2HB ASP 10 5.944 12.313 -2.766 70 H GLY 11 H GLY 11 6.843 9.208 -0.434 71 1HA GLY 11 1HA GLY 11 9.311 10.749 0.308 72 2HA GLY 11 2HA GLY 11 7.894 10.761 1.349 73 H MET 12 H MET 12 8.182 7.563 0.094 74 HA MET 12 HA MET 12 8.766 6.786 2.821 75 1HB MET 12 1HB MET 12 8.145 4.645 2.323 76 2HB MET 12 2HB MET 12 7.229 5.529 1.207 77 1HG MET 12 1HG MET 12 8.949 5.013 -0.561 78 2HG MET 12 2HG MET 12 9.800 4.036 0.624 79 1HE MET 12 1HE MET 12 9.753 1.867 -0.831 80 2HE MET 12 2HE MET 12 9.494 1.616 0.905 81 3HE MET 12 3HE MET 12 8.523 0.721 -0.282 82 H HIS 13 H HIS 13 10.460 5.861 3.776 83 HA HIS 13 HA HIS 13 13.129 6.300 2.903 84 1HB HIS 13 1HB HIS 13 12.108 4.485 5.084 85 2HB HIS 13 2HB HIS 13 13.728 5.154 4.972 86 HD1 HIS 13 HD1 HIS 13 13.034 5.843 7.569 87 HD2 HIS 13 HD2 HIS 13 11.226 7.972 4.424 88 HE1 HIS 13 HE1 HIS 13 12.192 8.041 8.557 89 H CYS 14 H CYS 14 11.778 4.495 1.007 90 HA CYS 14 HA CYS 14 12.221 2.615 -0.270 91 1HB CYS 14 1HB CYS 14 14.164 4.213 -0.470 92 2HB CYS 14 2HB CYS 14 15.045 3.214 0.684 93 HG CYS 14 HG CYS 14 13.648 2.161 -2.192 94 H LYS 15 H LYS 15 14.788 0.993 0.694 95 HA LYS 15 HA LYS 15 13.413 -1.335 1.168 96 1HB LYS 15 1HB LYS 15 16.302 -0.724 1.935 97 2HB LYS 15 2HB LYS 15 15.573 -2.337 1.755 98 1HG LYS 15 1HG LYS 15 14.818 -1.546 -0.566 99 2HG LYS 15 2HG LYS 15 15.980 -0.226 -0.397 100 1HD LYS 15 1HD LYS 15 17.828 -1.807 -0.332 101 2HD LYS 15 2HD LYS 15 16.683 -3.176 -0.264 102 1HE LYS 15 1HE LYS 15 15.675 -2.350 -2.463 103 2HE LYS 15 2HE LYS 15 16.962 -1.157 -2.556 104 1HZ LYS 15 1HZ LYS 15 17.395 -4.097 -2.506 105 2HZ LYS 15 2HZ LYS 15 18.569 -2.923 -2.743 106 3HZ LYS 15 3HZ LYS 15 17.391 -3.157 -3.823 107 H SER 16 H SER 16 14.202 0.892 3.813 108 HA SER 16 HA SER 16 13.276 -1.150 5.790 109 1HB SER 16 1HB SER 16 13.598 1.845 6.204 110 2HB SER 16 2HB SER 16 13.409 0.573 7.429 111 HG SER 16 HG SER 16 15.617 1.086 7.243 112 H CYS 17 H CYS 17 11.891 1.851 4.209 113 HA CYS 17 HA CYS 17 9.391 1.682 5.608 114 1HB CYS 17 1HB CYS 17 10.636 3.167 3.335 115 2HB CYS 17 2HB CYS 17 8.931 2.971 3.214 116 HG CYS 17 HG CYS 17 8.150 4.086 5.346 117 H VAL 18 H VAL 18 10.514 0.230 2.562 118 HA VAL 18 HA VAL 18 8.296 -1.026 1.580 119 HB VAL 18 HB VAL 18 11.106 -2.097 2.048 120 1HG1 VAL 18 1HG1 VAL 18 10.189 -4.183 1.827 121 2HG1 VAL 18 2HG1 VAL 18 8.826 -3.629 0.852 122 3HG1 VAL 18 3HG1 VAL 18 10.414 -3.797 0.114 123 1HG2 VAL 18 1HG2 VAL 18 11.591 -1.720 -0.243 124 2HG2 VAL 18 2HG2 VAL 18 9.923 -1.290 -0.623 125 3HG2 VAL 18 3HG2 VAL 18 10.874 -0.246 0.384 126 H SER 19 H SER 19 10.297 -2.393 4.259 127 HA SER 19 HA SER 19 8.755 -4.733 4.693 128 1HB SER 19 1HB SER 19 11.112 -4.031 5.543 129 2HB SER 19 2HB SER 19 10.298 -3.067 6.772 130 HG SER 19 HG SER 19 9.357 -5.024 7.562 131 H ASN 20 H ASN 20 8.438 -1.487 6.240 132 HA ASN 20 HA ASN 20 6.308 -2.192 8.052 133 1HB ASN 20 1HB ASN 20 6.784 0.384 6.576 134 2HB ASN 20 2HB ASN 20 5.798 0.252 7.967 135 1HD2 ASN 20 1HD2 ASN 20 8.346 1.784 7.375 136 2HD2 ASN 20 2HD2 ASN 20 9.397 1.348 8.709 137 H ILE 21 H ILE 21 6.343 -1.086 4.657 138 HA ILE 21 HA ILE 21 3.476 -0.620 4.510 139 HB ILE 21 HB ILE 21 5.207 -1.256 2.113 140 1HG1 ILE 21 1HG1 ILE 21 5.748 0.990 3.919 141 2HG1 ILE 21 2HG1 ILE 21 6.581 0.361 2.510 142 1HG2 ILE 21 1HG2 ILE 21 2.738 0.486 2.478 143 2HG2 ILE 21 2HG2 ILE 21 3.569 0.152 0.936 144 3HG2 ILE 21 3HG2 ILE 21 2.778 -1.152 1.799 145 1HD1 ILE 21 1HD1 ILE 21 5.332 1.632 0.947 146 2HD1 ILE 21 2HD1 ILE 21 4.315 2.300 2.238 147 3HD1 ILE 21 3HD1 ILE 21 6.046 2.680 2.176 148 H GLU 22 H GLU 22 5.588 -3.311 3.438 149 HA GLU 22 HA GLU 22 3.605 -5.125 2.619 150 1HB GLU 22 1HB GLU 22 6.364 -5.482 3.861 151 2HB GLU 22 2HB GLU 22 5.404 -6.822 3.282 152 1HG GLU 22 1HG GLU 22 5.265 -5.018 1.152 153 2HG GLU 22 2HG GLU 22 6.886 -4.763 1.748 154 H SER 23 H SER 23 4.991 -4.763 5.966 155 HA SER 23 HA SER 23 3.144 -6.674 7.014 156 1HB SER 23 1HB SER 23 5.266 -5.895 8.118 157 2HB SER 23 2HB SER 23 4.488 -4.332 8.437 158 HG SER 23 HG SER 23 2.777 -5.797 9.480 159 H THR 24 H THR 24 2.652 -3.176 6.615 160 HA THR 24 HA THR 24 0.314 -3.158 8.356 161 HB THR 24 HB THR 24 1.387 -1.015 6.436 162 HG1 THR 24 HG1 THR 24 2.759 -1.481 8.081 163 1HG2 THR 24 1HG2 THR 24 -0.679 -0.859 8.687 164 2HG2 THR 24 2HG2 THR 24 -1.014 -0.616 6.959 165 3HG2 THR 24 3HG2 THR 24 0.029 0.523 7.822 166 H LEU 25 H LEU 25 0.889 -3.067 4.875 167 HA LEU 25 HA LEU 25 -1.933 -3.122 4.170 168 1HB LEU 25 1HB LEU 25 0.681 -3.374 2.711 169 2HB LEU 25 2HB LEU 25 -0.813 -3.551 1.841 170 HG LEU 25 HG LEU 25 0.273 -1.242 1.731 171 1HD1 LEU 25 1HD1 LEU 25 -1.982 -0.145 1.794 172 2HD1 LEU 25 2HD1 LEU 25 -2.626 -1.597 2.556 173 3HD1 LEU 25 3HD1 LEU 25 -1.951 -1.689 0.930 174 1HD2 LEU 25 1HD2 LEU 25 -0.307 0.394 3.488 175 2HD2 LEU 25 2HD2 LEU 25 0.763 -0.843 4.136 176 3HD2 LEU 25 3HD2 LEU 25 -0.987 -0.865 4.490 177 H SER 26 H SER 26 0.447 -5.709 4.776 178 HA SER 26 HA SER 26 -1.238 -7.638 3.303 179 1HB SER 26 1HB SER 26 1.180 -7.789 3.402 180 2HB SER 26 2HB SER 26 1.136 -7.950 5.119 181 HG SER 26 HG SER 26 1.320 -9.986 4.100 182 H ALA 27 H ALA 27 -1.932 -6.079 6.150 183 HA ALA 27 HA ALA 27 -2.945 -8.533 7.555 184 1HB ALA 27 1HB ALA 27 -1.029 -7.381 8.623 185 2HB ALA 27 2HB ALA 27 -1.942 -5.858 8.639 186 3HB ALA 27 3HB ALA 27 -2.495 -7.238 9.613 187 H LEU 28 H LEU 28 -4.178 -6.112 5.733 188 HA LEU 28 HA LEU 28 -6.048 -4.929 7.519 189 1HB LEU 28 1HB LEU 28 -6.084 -4.948 4.472 190 2HB LEU 28 2HB LEU 28 -7.058 -3.916 5.483 191 HG LEU 28 HG LEU 28 -4.036 -3.849 5.780 192 1HD1 LEU 28 1HD1 LEU 28 -5.633 -2.171 3.812 193 2HD1 LEU 28 2HD1 LEU 28 -4.512 -3.486 3.370 194 3HD1 LEU 28 3HD1 LEU 28 -3.923 -2.037 4.205 195 1HD2 LEU 28 1HD2 LEU 28 -6.274 -1.813 6.156 196 2HD2 LEU 28 2HD2 LEU 28 -4.543 -1.577 6.552 197 3HD2 LEU 28 3HD2 LEU 28 -5.511 -2.741 7.470 198 H GLN 29 H GLN 29 -8.324 -4.977 7.488 199 HA GLN 29 HA GLN 29 -9.389 -7.655 7.669 200 1HB GLN 29 1HB GLN 29 -10.588 -4.908 8.193 201 2HB GLN 29 2HB GLN 29 -11.340 -6.442 8.648 202 1HG GLN 29 1HG GLN 29 -9.489 -6.995 10.137 203 2HG GLN 29 2HG GLN 29 -8.599 -5.543 9.671 204 1HE2 GLN 29 1HE2 GLN 29 -10.027 -6.564 12.324 205 2HE2 GLN 29 2HE2 GLN 29 -10.850 -5.070 12.781 206 H TYR 30 H TYR 30 -8.857 -7.487 5.189 207 HA TYR 30 HA TYR 30 -10.937 -8.149 3.542 208 1HB TYR 30 1HB TYR 30 -11.083 -6.113 2.013 209 2HB TYR 30 2HB TYR 30 -12.019 -6.156 3.476 210 HD1 TYR 30 HD1 TYR 30 -8.403 -4.992 2.904 211 HD2 TYR 30 HD2 TYR 30 -12.435 -3.992 4.082 212 HE1 TYR 30 HE1 TYR 30 -7.686 -2.726 3.456 213 HE2 TYR 30 HE2 TYR 30 -11.705 -1.676 4.607 214 HH TYR 30 HH TYR 30 -8.300 -0.627 4.227 215 H VAL 31 H VAL 31 -7.557 -7.559 3.946 216 HA VAL 31 HA VAL 31 -7.130 -7.731 1.016 217 HB VAL 31 HB VAL 31 -6.022 -5.909 2.115 218 1HG1 VAL 31 1HG1 VAL 31 -4.435 -6.069 3.622 219 2HG1 VAL 31 2HG1 VAL 31 -5.495 -7.367 4.162 220 3HG1 VAL 31 3HG1 VAL 31 -4.018 -7.787 3.262 221 1HG2 VAL 31 1HG2 VAL 31 -3.794 -6.171 1.077 222 2HG2 VAL 31 2HG2 VAL 31 -4.076 -7.894 0.841 223 3HG2 VAL 31 3HG2 VAL 31 -5.081 -6.687 -0.005 224 H SER 32 H SER 32 -5.943 -9.313 0.007 225 HA SER 32 HA SER 32 -5.793 -11.944 1.460 226 1HB SER 32 1HB SER 32 -6.354 -11.126 -1.420 227 2HB SER 32 2HB SER 32 -5.972 -12.785 -0.974 228 HG SER 32 HG SER 32 -8.064 -11.262 0.205 229 H SER 33 H SER 33 -3.844 -9.578 -0.217 230 HA SER 33 HA SER 33 -1.328 -10.875 0.141 231 1HB SER 33 1HB SER 33 -2.756 -11.304 -2.447 232 2HB SER 33 2HB SER 33 -1.031 -11.107 -2.495 233 HG SER 33 HG SER 33 -2.413 -12.942 -0.812 234 H ILE 34 H ILE 34 0.326 -9.825 -1.285 235 HA ILE 34 HA ILE 34 0.047 -7.140 -2.252 236 HB ILE 34 HB ILE 34 -0.188 -6.937 0.333 237 1HG1 ILE 34 1HG1 ILE 34 1.567 -5.305 -1.439 238 2HG1 ILE 34 2HG1 ILE 34 0.085 -4.930 -0.594 239 1HG2 ILE 34 1HG2 ILE 34 2.793 -7.565 0.303 240 2HG2 ILE 34 2HG2 ILE 34 1.834 -7.048 1.683 241 3HG2 ILE 34 3HG2 ILE 34 1.506 -8.613 0.951 242 1HD1 ILE 34 1HD1 ILE 34 1.506 -4.881 1.529 243 2HD1 ILE 34 2HD1 ILE 34 2.918 -4.990 0.462 244 3HD1 ILE 34 3HD1 ILE 34 1.825 -3.598 0.336 245 H VAL 35 H VAL 35 2.092 -6.316 -2.955 246 HA VAL 35 HA VAL 35 4.623 -7.652 -2.349 247 HB VAL 35 HB VAL 35 3.546 -7.492 -5.198 248 1HG1 VAL 35 1HG1 VAL 35 6.501 -7.566 -4.440 249 2HG1 VAL 35 2HG1 VAL 35 5.858 -7.925 -6.056 250 3HG1 VAL 35 3HG1 VAL 35 5.675 -6.311 -5.394 251 1HG2 VAL 35 1HG2 VAL 35 4.753 -9.777 -5.281 252 2HG2 VAL 35 2HG2 VAL 35 5.067 -9.555 -3.538 253 3HG2 VAL 35 3HG2 VAL 35 3.397 -9.711 -4.162 254 H VAL 36 H VAL 36 5.953 -6.119 -1.815 255 HA VAL 36 HA VAL 36 5.561 -3.375 -2.990 256 HB VAL 36 HB VAL 36 7.137 -4.339 -0.622 257 1HG1 VAL 36 1HG1 VAL 36 7.796 -1.957 -0.299 258 2HG1 VAL 36 2HG1 VAL 36 8.644 -2.756 -1.642 259 3HG1 VAL 36 3HG1 VAL 36 7.320 -1.604 -1.953 260 1HG2 VAL 36 1HG2 VAL 36 5.744 -2.741 0.544 261 2HG2 VAL 36 2HG2 VAL 36 5.166 -2.040 -0.974 262 3HG2 VAL 36 3HG2 VAL 36 4.641 -3.664 -0.509 263 H SER 37 H SER 37 6.976 -2.231 -4.053 264 HA SER 37 HA SER 37 8.960 -3.593 -5.770 265 1HB SER 37 1HB SER 37 8.263 -0.644 -5.547 266 2HB SER 37 2HB SER 37 9.126 -1.468 -6.861 267 HG SER 37 HG SER 37 6.638 -2.498 -6.266 268 H LEU 38 H LEU 38 10.363 -4.265 -4.130 269 HA LEU 38 HA LEU 38 11.552 -3.151 -2.006 270 1HB LEU 38 1HB LEU 38 11.687 -5.459 -3.283 271 2HB LEU 38 2HB LEU 38 13.107 -4.777 -4.057 272 HG LEU 38 HG LEU 38 13.448 -6.390 -2.167 273 1HD1 LEU 38 1HD1 LEU 38 15.360 -5.278 -1.244 274 2HD1 LEU 38 2HD1 LEU 38 14.653 -3.701 -1.641 275 3HD1 LEU 38 3HD1 LEU 38 15.196 -4.792 -2.948 276 1HD2 LEU 38 1HD2 LEU 38 11.697 -5.507 -0.627 277 2HD2 LEU 38 2HD2 LEU 38 12.704 -4.044 -0.385 278 3HD2 LEU 38 3HD2 LEU 38 13.294 -5.631 0.138 279 H GLU 39 H GLU 39 12.783 -2.638 -5.297 280 HA GLU 39 HA GLU 39 14.880 -0.990 -4.416 281 1HB GLU 39 1HB GLU 39 14.048 -2.427 -6.752 282 2HB GLU 39 2HB GLU 39 14.163 -0.782 -7.296 283 1HG GLU 39 1HG GLU 39 16.265 -1.946 -7.685 284 2HG GLU 39 2HG GLU 39 16.459 -0.610 -6.539 285 H ASN 40 H ASN 40 11.706 -0.232 -4.742 286 HA ASN 40 HA ASN 40 11.942 2.644 -5.635 287 1HB ASN 40 1HB ASN 40 10.115 0.432 -6.606 288 2HB ASN 40 2HB ASN 40 9.703 2.125 -6.810 289 1HD2 ASN 40 1HD2 ASN 40 13.141 1.674 -7.139 290 2HD2 ASN 40 2HD2 ASN 40 13.090 1.614 -8.895 291 H ARG 41 H ARG 41 9.393 3.289 -5.416 292 HA ARG 41 HA ARG 41 8.936 3.278 -2.483 293 1HB ARG 41 1HB ARG 41 8.383 5.625 -2.712 294 2HB ARG 41 2HB ARG 41 9.989 5.283 -3.273 295 1HG ARG 41 1HG ARG 41 8.462 5.054 -5.624 296 2HG ARG 41 2HG ARG 41 7.630 6.331 -4.763 297 1HD ARG 41 1HD ARG 41 10.624 6.572 -4.823 298 2HD ARG 41 2HD ARG 41 9.866 6.542 -6.377 299 HE ARG 41 HE ARG 41 8.450 8.462 -5.760 300 1HH1 ARG 41 1HH1 ARG 41 11.158 8.054 -3.498 301 2HH1 ARG 41 2HH1 ARG 41 11.091 9.742 -3.062 302 1HH2 ARG 41 1HH2 ARG 41 8.429 10.561 -5.105 303 2HH2 ARG 41 2HH2 ARG 41 9.434 11.053 -3.804 304 H SER 42 H SER 42 7.618 1.376 -4.273 305 HA SER 42 HA SER 42 4.779 2.259 -4.074 306 1HB SER 42 1HB SER 42 4.515 1.133 -6.383 307 2HB SER 42 2HB SER 42 5.275 2.707 -6.336 308 HG SER 42 HG SER 42 6.483 0.163 -6.768 309 H ALA 43 H ALA 43 3.203 0.633 -4.420 310 HA ALA 43 HA ALA 43 3.955 -2.158 -3.644 311 1HB ALA 43 1HB ALA 43 1.852 -0.417 -2.235 312 2HB ALA 43 2HB ALA 43 2.328 -2.076 -1.817 313 3HB ALA 43 3HB ALA 43 3.466 -0.736 -1.578 314 H ILE 44 H ILE 44 2.608 -3.696 -4.390 315 HA ILE 44 HA ILE 44 0.113 -2.946 -5.881 316 HB ILE 44 HB ILE 44 1.971 -5.333 -6.271 317 1HG1 ILE 44 1HG1 ILE 44 1.276 -3.077 -8.216 318 2HG1 ILE 44 2HG1 ILE 44 2.751 -3.097 -7.251 319 1HG2 ILE 44 1HG2 ILE 44 -0.426 -5.938 -6.528 320 2HG2 ILE 44 2HG2 ILE 44 -0.653 -4.588 -7.661 321 3HG2 ILE 44 3HG2 ILE 44 0.385 -5.968 -8.084 322 1HD1 ILE 44 1HD1 ILE 44 1.996 -5.109 -9.403 323 2HD1 ILE 44 2HD1 ILE 44 3.277 -3.891 -9.452 324 3HD1 ILE 44 3HD1 ILE 44 3.408 -5.257 -8.325 325 H VAL 45 H VAL 45 -1.648 -3.552 -4.777 326 HA VAL 45 HA VAL 45 -1.347 -5.338 -2.378 327 HB VAL 45 HB VAL 45 -3.178 -2.949 -2.696 328 1HG1 VAL 45 1HG1 VAL 45 -2.308 -4.587 -0.259 329 2HG1 VAL 45 2HG1 VAL 45 -3.362 -3.163 -0.197 330 3HG1 VAL 45 3HG1 VAL 45 -3.910 -4.621 -1.028 331 1HG2 VAL 45 1HG2 VAL 45 -0.564 -2.898 -1.140 332 2HG2 VAL 45 2HG2 VAL 45 -0.825 -2.111 -2.706 333 3HG2 VAL 45 3HG2 VAL 45 -1.756 -1.596 -1.310 334 H VAL 46 H VAL 46 -2.799 -7.002 -2.307 335 HA VAL 46 HA VAL 46 -4.844 -7.196 -4.484 336 HB VAL 46 HB VAL 46 -3.186 -9.341 -3.121 337 1HG1 VAL 46 1HG1 VAL 46 -3.941 -10.883 -4.821 338 2HG1 VAL 46 2HG1 VAL 46 -5.320 -10.262 -3.917 339 3HG1 VAL 46 3HG1 VAL 46 -4.979 -9.622 -5.553 340 1HG2 VAL 46 1HG2 VAL 46 -1.947 -9.607 -5.233 341 2HG2 VAL 46 2HG2 VAL 46 -2.733 -8.149 -5.867 342 3HG2 VAL 46 3HG2 VAL 46 -1.659 -8.051 -4.460 343 H TYR 47 H TYR 47 -6.825 -6.922 -3.572 344 HA TYR 47 HA TYR 47 -7.309 -7.970 -0.819 345 1HB TYR 47 1HB TYR 47 -8.593 -6.016 -0.285 346 2HB TYR 47 2HB TYR 47 -6.995 -5.531 -0.807 347 HD1 TYR 47 HD1 TYR 47 -10.570 -5.370 -1.492 348 HD2 TYR 47 HD2 TYR 47 -6.661 -4.478 -3.057 349 HE1 TYR 47 HE1 TYR 47 -11.593 -3.929 -3.265 350 HE2 TYR 47 HE2 TYR 47 -7.672 -2.890 -4.698 351 HH TYR 47 HH TYR 47 -11.214 -2.464 -4.963 352 H ASN 48 H ASN 48 -9.634 -8.327 -0.266 353 HA ASN 48 HA ASN 48 -10.953 -9.669 -2.602 354 1HB ASN 48 1HB ASN 48 -9.965 -11.144 -0.838 355 2HB ASN 48 2HB ASN 48 -11.054 -10.423 0.355 356 1HD2 ASN 48 1HD2 ASN 48 -10.685 -12.819 -2.104 357 2HD2 ASN 48 2HD2 ASN 48 -12.367 -13.339 -2.137 358 H ALA 49 H ALA 49 -13.008 -9.114 -3.118 359 HA ALA 49 HA ALA 49 -14.887 -7.805 -1.377 360 1HB ALA 49 1HB ALA 49 -14.549 -5.495 -2.423 361 2HB ALA 49 2HB ALA 49 -13.258 -5.975 -1.324 362 3HB ALA 49 3HB ALA 49 -13.005 -6.097 -3.080 363 H SER 50 H SER 50 -16.908 -7.679 -2.400 364 HA SER 50 HA SER 50 -17.238 -8.215 -5.243 365 1HB SER 50 1HB SER 50 -19.199 -6.749 -3.449 366 2HB SER 50 2HB SER 50 -19.555 -7.752 -4.861 367 HG SER 50 HG SER 50 -18.969 -9.580 -3.614 368 H SER 51 H SER 51 -16.852 -5.343 -3.259 369 HA SER 51 HA SER 51 -15.492 -3.844 -5.109 370 1HB SER 51 1HB SER 51 -17.692 -3.473 -6.244 371 2HB SER 51 2HB SER 51 -18.288 -2.715 -4.752 372 HG SER 51 HG SER 51 -17.332 -1.299 -6.415 373 H VAL 52 H VAL 52 -15.308 -1.545 -4.167 374 HA VAL 52 HA VAL 52 -15.554 -0.444 -1.802 375 HB VAL 52 HB VAL 52 -15.072 -2.466 -0.472 376 1HG1 VAL 52 1HG1 VAL 52 -12.856 -3.446 -0.341 377 2HG1 VAL 52 2HG1 VAL 52 -13.385 -3.494 -2.032 378 3HG1 VAL 52 3HG1 VAL 52 -12.211 -2.273 -1.507 379 1HG2 VAL 52 1HG2 VAL 52 -13.649 -1.528 1.156 380 2HG2 VAL 52 2HG2 VAL 52 -12.876 -0.443 -0.004 381 3HG2 VAL 52 3HG2 VAL 52 -14.584 -0.206 0.438 382 H THR 53 H THR 53 -14.004 1.201 -1.382 383 HA THR 53 HA THR 53 -12.838 2.082 -3.800 384 HB THR 53 HB THR 53 -12.424 3.433 -1.119 385 HG1 THR 53 HG1 THR 53 -14.516 4.220 -1.320 386 1HG2 THR 53 1HG2 THR 53 -13.262 4.537 -3.839 387 2HG2 THR 53 2HG2 THR 53 -11.576 4.442 -3.310 388 3HG2 THR 53 3HG2 THR 53 -12.729 5.450 -2.408 389 HA PRO 54 HA PRO 54 -8.496 0.763 -2.997 390 1HB PRO 54 1HB PRO 54 -7.241 2.249 -4.913 391 2HB PRO 54 2HB PRO 54 -8.154 0.749 -5.252 392 1HG PRO 54 1HG PRO 54 -9.139 3.606 -5.498 393 2HG PRO 54 2HG PRO 54 -9.260 2.284 -6.705 394 1HD PRO 54 1HD PRO 54 -11.329 2.864 -5.076 395 2HD PRO 54 2HD PRO 54 -10.927 1.158 -5.436 396 H GLU 55 H GLU 55 -9.778 4.046 -2.817 397 HA GLU 55 HA GLU 55 -7.612 5.469 -1.699 398 1HB GLU 55 1HB GLU 55 -9.276 6.965 -1.903 399 2HB GLU 55 2HB GLU 55 -10.461 5.703 -1.945 400 1HG GLU 55 1HG GLU 55 -11.226 7.069 -0.319 401 2HG GLU 55 2HG GLU 55 -10.613 5.662 0.521 402 H SER 56 H SER 56 -9.651 2.875 -0.136 403 HA SER 56 HA SER 56 -8.943 3.681 2.451 404 1HB SER 56 1HB SER 56 -9.574 0.844 1.645 405 2HB SER 56 2HB SER 56 -10.003 1.687 3.130 406 HG SER 56 HG SER 56 -11.720 1.376 1.517 407 H LEU 57 H LEU 57 -7.435 1.507 0.087 408 HA LEU 57 HA LEU 57 -5.431 0.379 1.926 409 1HB LEU 57 1HB LEU 57 -5.451 0.523 -1.101 410 2HB LEU 57 2HB LEU 57 -4.338 -0.405 -0.106 411 HG LEU 57 HG LEU 57 -7.315 -0.909 -0.524 412 1HD1 LEU 57 1HD1 LEU 57 -4.738 -1.891 -1.689 413 2HD1 LEU 57 2HD1 LEU 57 -6.337 -1.789 -2.418 414 3HD1 LEU 57 3HD1 LEU 57 -5.927 -3.152 -1.331 415 1HD2 LEU 57 1HD2 LEU 57 -5.369 -2.574 1.155 416 2HD2 LEU 57 2HD2 LEU 57 -7.030 -3.027 0.731 417 3HD2 LEU 57 3HD2 LEU 57 -6.739 -1.613 1.764 418 H ARG 58 H ARG 58 -5.552 2.984 -0.554 419 HA ARG 58 HA ARG 58 -2.928 3.937 -0.286 420 1HB ARG 58 1HB ARG 58 -4.887 4.638 -1.857 421 2HB ARG 58 2HB ARG 58 -5.344 5.756 -0.660 422 1HG ARG 58 1HG ARG 58 -2.460 5.876 -1.232 423 2HG ARG 58 2HG ARG 58 -3.405 6.086 -2.702 424 1HD ARG 58 1HD ARG 58 -3.731 7.708 -0.181 425 2HD ARG 58 2HD ARG 58 -2.797 8.232 -1.571 426 HE ARG 58 HE ARG 58 -4.925 8.060 -2.921 427 1HH1 ARG 58 1HH1 ARG 58 -5.063 8.919 0.523 428 2HH1 ARG 58 2HH1 ARG 58 -6.844 8.899 0.453 429 1HH2 ARG 58 1HH2 ARG 58 -7.216 8.479 -2.864 430 2HH2 ARG 58 2HH2 ARG 58 -7.918 8.801 -1.280 431 H LYS 59 H LYS 59 -5.819 4.786 1.713 432 HA LYS 59 HA LYS 59 -4.425 6.280 3.691 433 1HB LYS 59 1HB LYS 59 -7.099 5.044 3.286 434 2HB LYS 59 2HB LYS 59 -6.592 5.054 4.963 435 1HG LYS 59 1HG LYS 59 -7.866 7.053 4.313 436 2HG LYS 59 2HG LYS 59 -6.260 7.416 4.973 437 1HD LYS 59 1HD LYS 59 -5.407 7.807 2.659 438 2HD LYS 59 2HD LYS 59 -6.997 7.422 2.024 439 1HE LYS 59 1HE LYS 59 -6.599 9.587 4.130 440 2HE LYS 59 2HE LYS 59 -6.266 9.935 2.429 441 1HZ LYS 59 1HZ LYS 59 -8.530 9.310 1.883 442 2HZ LYS 59 2HZ LYS 59 -8.613 10.453 3.093 443 3HZ LYS 59 3HZ LYS 59 -8.864 8.814 3.321 444 H ALA 60 H ALA 60 -4.891 2.671 3.624 445 HA ALA 60 HA ALA 60 -3.666 2.321 6.199 446 1HB ALA 60 1HB ALA 60 -4.896 0.555 4.961 447 2HB ALA 60 2HB ALA 60 -3.577 0.487 3.764 448 3HB ALA 60 3HB ALA 60 -3.263 0.043 5.447 449 H ILE 61 H ILE 61 -2.242 2.893 3.004 450 HA ILE 61 HA ILE 61 0.485 2.686 3.978 451 HB ILE 61 HB ILE 61 -0.405 4.196 1.475 452 1HG1 ILE 61 1HG1 ILE 61 0.339 1.251 1.630 453 2HG1 ILE 61 2HG1 ILE 61 -1.286 1.846 1.453 454 1HG2 ILE 61 1HG2 ILE 61 2.181 2.876 2.389 455 2HG2 ILE 61 2HG2 ILE 61 1.913 3.456 0.738 456 3HG2 ILE 61 3HG2 ILE 61 1.900 4.597 2.052 457 1HD1 ILE 61 1HD1 ILE 61 -0.577 1.146 -0.671 458 2HD1 ILE 61 2HD1 ILE 61 -0.719 2.914 -0.685 459 3HD1 ILE 61 3HD1 ILE 61 0.885 2.135 -0.609 460 H GLU 62 H GLU 62 -1.452 5.642 3.142 461 HA GLU 62 HA GLU 62 0.334 7.514 4.207 462 1HB GLU 62 1HB GLU 62 -2.704 7.633 3.923 463 2HB GLU 62 2HB GLU 62 -1.663 9.003 4.373 464 1HG GLU 62 1HG GLU 62 -0.378 8.783 2.376 465 2HG GLU 62 2HG GLU 62 -1.325 7.390 1.842 466 H ALA 63 H ALA 63 -1.622 5.289 6.026 467 HA ALA 63 HA ALA 63 -1.244 6.810 8.518 468 1HB ALA 63 1HB ALA 63 -2.648 4.156 7.968 469 2HB ALA 63 2HB ALA 63 -2.704 5.071 9.490 470 3HB ALA 63 3HB ALA 63 -3.442 5.751 8.026 471 H VAL 64 H VAL 64 0.786 4.887 6.872 472 HA VAL 64 HA VAL 64 1.863 3.473 9.258 473 HB VAL 64 HB VAL 64 1.729 2.422 6.799 474 1HG1 VAL 64 1HG1 VAL 64 3.602 2.368 5.533 475 2HG1 VAL 64 2HG1 VAL 64 3.148 4.079 5.761 476 3HG1 VAL 64 3HG1 VAL 64 4.541 3.413 6.632 477 1HG2 VAL 64 1HG2 VAL 64 2.672 1.382 8.974 478 2HG2 VAL 64 2HG2 VAL 64 3.581 0.903 7.521 479 3HG2 VAL 64 3HG2 VAL 64 4.222 2.170 8.595 480 H SER 65 H SER 65 2.623 6.159 7.065 481 HA SER 65 HA SER 65 4.228 7.239 9.239 482 1HB SER 65 1HB SER 65 5.688 7.508 6.691 483 2HB SER 65 2HB SER 65 6.178 7.407 8.374 484 HG SER 65 HG SER 65 5.500 5.107 8.178 485 HA PRO 66 HA PRO 66 1.260 10.063 7.062 486 1HB PRO 66 1HB PRO 66 0.275 11.156 9.486 487 2HB PRO 66 2HB PRO 66 -0.483 9.878 8.495 488 1HG PRO 66 1HG PRO 66 1.306 9.581 10.911 489 2HG PRO 66 2HG PRO 66 -0.168 8.647 10.489 490 1HD PRO 66 1HD PRO 66 2.248 7.560 10.034 491 2HD PRO 66 2HD PRO 66 1.020 7.425 8.796 492 H GLY 67 H GLY 67 1.381 12.274 6.763 493 1HA GLY 67 1HA GLY 67 2.315 14.425 6.846 494 2HA GLY 67 2HA GLY 67 3.373 13.919 8.193 495 H LEU 68 H LEU 68 4.621 11.707 7.086 496 HA LEU 68 HA LEU 68 6.553 12.808 5.148 497 1HB LEU 68 1HB LEU 68 7.260 11.419 7.019 498 2HB LEU 68 2HB LEU 68 6.171 10.141 6.518 499 HG LEU 68 HG LEU 68 7.512 10.001 4.318 500 1HD1 LEU 68 1HD1 LEU 68 9.447 11.645 5.997 501 2HD1 LEU 68 2HD1 LEU 68 8.692 12.158 4.465 502 3HD1 LEU 68 3HD1 LEU 68 9.845 10.808 4.484 503 1HD2 LEU 68 1HD2 LEU 68 8.914 9.392 6.928 504 2HD2 LEU 68 2HD2 LEU 68 9.125 8.571 5.350 505 3HD2 LEU 68 3HD2 LEU 68 7.607 8.419 6.226 506 H TYR 69 H TYR 69 4.041 10.288 5.243 507 HA TYR 69 HA TYR 69 4.580 9.409 2.565 508 1HB TYR 69 1HB TYR 69 2.587 8.598 4.686 509 2HB TYR 69 2HB TYR 69 2.420 8.070 3.030 510 HD1 TYR 69 HD1 TYR 69 2.559 5.814 3.574 511 HD2 TYR 69 HD2 TYR 69 5.880 8.409 4.394 512 HE1 TYR 69 HE1 TYR 69 4.000 3.877 3.661 513 HE2 TYR 69 HE2 TYR 69 7.345 6.449 4.696 514 HH TYR 69 HH TYR 69 6.016 3.106 4.245 515 H ARG 70 H ARG 70 4.271 11.029 1.182 516 HA ARG 70 HA ARG 70 1.630 12.084 0.422 517 1HB ARG 70 1HB ARG 70 3.964 13.025 -0.007 518 2HB ARG 70 2HB ARG 70 4.327 11.689 -0.956 519 1HG ARG 70 1HG ARG 70 2.566 14.052 -1.531 520 2HG ARG 70 2HG ARG 70 3.916 13.440 -2.410 521 1HD ARG 70 1HD ARG 70 2.246 11.340 -2.789 522 2HD ARG 70 2HD ARG 70 1.064 12.623 -2.483 523 HE ARG 70 HE ARG 70 3.302 12.714 -4.500 524 1HH1 ARG 70 1HH1 ARG 70 -0.196 12.855 -4.094 525 2HH1 ARG 70 2HH1 ARG 70 -0.451 12.943 -5.819 526 1HH2 ARG 70 1HH2 ARG 70 2.991 12.712 -6.489 527 2HH2 ARG 70 2HH2 ARG 70 1.409 12.858 -7.233 528 H VAL 71 H VAL 71 0.087 10.108 -0.151 529 HA VAL 71 HA VAL 71 1.529 8.167 -1.975 530 HB VAL 71 HB VAL 71 -0.891 7.474 -0.350 531 1HG1 VAL 71 1HG1 VAL 71 -0.507 6.002 -2.311 532 2HG1 VAL 71 2HG1 VAL 71 1.192 5.810 -1.856 533 3HG1 VAL 71 3HG1 VAL 71 -0.091 5.159 -0.821 534 1HG2 VAL 71 1HG2 VAL 71 0.726 6.294 1.133 535 2HG2 VAL 71 2HG2 VAL 71 2.068 6.952 0.169 536 3HG2 VAL 71 3HG2 VAL 71 1.106 8.018 1.134 537 H SER 72 H SER 72 0.721 7.442 -3.806 538 HA SER 72 HA SER 72 -1.703 8.789 -4.937 539 1HB SER 72 1HB SER 72 0.746 8.061 -6.544 540 2HB SER 72 2HB SER 72 -0.530 9.219 -6.899 541 HG SER 72 HG SER 72 1.521 9.445 -4.960 542 H ILE 73 H ILE 73 -2.684 7.502 -6.721 543 HA ILE 73 HA ILE 73 -2.173 4.540 -6.633 544 HB ILE 73 HB ILE 73 -4.482 6.102 -7.885 545 1HG1 ILE 73 1HG1 ILE 73 -4.407 4.581 -5.251 546 2HG1 ILE 73 2HG1 ILE 73 -4.595 6.320 -5.423 547 1HG2 ILE 73 1HG2 ILE 73 -5.520 3.951 -8.257 548 2HG2 ILE 73 2HG2 ILE 73 -3.888 3.847 -8.898 549 3HG2 ILE 73 3HG2 ILE 73 -4.265 3.112 -7.326 550 1HD1 ILE 73 1HD1 ILE 73 -6.621 4.216 -6.250 551 2HD1 ILE 73 2HD1 ILE 73 -6.736 5.367 -4.914 552 3HD1 ILE 73 3HD1 ILE 73 -6.771 5.959 -6.590 553 H THR 74 H THR 74 -0.915 3.773 -8.262 554 HA THR 74 HA THR 74 -0.720 5.428 -10.746 555 HB THR 74 HB THR 74 1.345 5.484 -9.542 556 HG1 THR 74 HG1 THR 74 2.552 4.878 -11.364 557 1HG2 THR 74 1HG2 THR 74 2.857 3.605 -9.370 558 2HG2 THR 74 2HG2 THR 74 1.641 2.495 -10.021 559 3HG2 THR 74 3HG2 THR 74 1.392 3.270 -8.434 560 H SER 75 H SER 75 -1.974 4.671 -12.171 561 HA SER 75 HA SER 75 -2.123 1.755 -12.774 562 1HB SER 75 1HB SER 75 -4.442 3.711 -12.440 563 2HB SER 75 2HB SER 75 -4.586 2.124 -13.202 564 HG SER 75 HG SER 75 -5.152 2.113 -10.961 565 H GLU 76 H GLU 76 -2.997 1.370 -15.023 566 HA GLU 76 HA GLU 76 -2.068 3.369 -16.934 567 1HB GLU 76 1HB GLU 76 -2.012 0.870 -17.365 568 2HB GLU 76 2HB GLU 76 -3.777 0.926 -17.495 569 1HG GLU 76 1HG GLU 76 -3.370 2.806 -19.288 570 2HG GLU 76 2HG GLU 76 -1.686 2.287 -19.247 571 H VAL 77 H VAL 77 -3.147 5.091 -17.280 572 HA VAL 77 HA VAL 77 -6.053 5.158 -17.760 573 HB VAL 77 HB VAL 77 -6.318 7.268 -16.505 574 1HG1 VAL 77 1HG1 VAL 77 -6.487 6.368 -14.271 575 2HG1 VAL 77 2HG1 VAL 77 -6.942 5.108 -15.430 576 3HG1 VAL 77 3HG1 VAL 77 -5.345 5.065 -14.639 577 1HG2 VAL 77 1HG2 VAL 77 -4.681 8.003 -14.832 578 2HG2 VAL 77 2HG2 VAL 77 -3.553 6.726 -15.321 579 3HG2 VAL 77 3HG2 VAL 77 -3.965 8.042 -16.446 Start of MODEL 21 1 1H ASN 1 1HT ASN 1 -14.110 -13.732 -5.045 2 HA ASN 1 HA ASN 1 -11.693 -14.134 -6.608 3 1HB ASN 1 1HB ASN 1 -13.141 -13.976 -8.491 4 2HB ASN 1 2HB ASN 1 -14.123 -12.712 -7.738 5 1HD2 ASN 1 1HD2 ASN 1 -10.600 -13.168 -8.561 6 2HD2 ASN 1 2HD2 ASN 1 -10.406 -11.473 -8.950 7 H ASP 2 H ASP 2 -10.162 -12.629 -6.103 8 HA ASP 2 HA ASP 2 -10.856 -10.352 -4.426 9 1HB ASP 2 1HB ASP 2 -8.353 -10.362 -3.986 10 2HB ASP 2 2HB ASP 2 -9.322 -11.629 -3.280 11 H SER 3 H SER 3 -9.742 -8.409 -4.691 12 HA SER 3 HA SER 3 -9.371 -7.542 -7.517 13 1HB SER 3 1HB SER 3 -11.302 -6.569 -6.231 14 2HB SER 3 2HB SER 3 -10.179 -5.982 -5.014 15 HG SER 3 HG SER 3 -10.698 -4.367 -6.525 16 H THR 4 H THR 4 -8.038 -5.291 -7.263 17 HA THR 4 HA THR 4 -5.940 -5.373 -5.305 18 HB THR 4 HB THR 4 -5.196 -6.936 -7.304 19 HG1 THR 4 HG1 THR 4 -3.929 -6.351 -5.556 20 1HG2 THR 4 1HG2 THR 4 -4.049 -4.276 -8.242 21 2HG2 THR 4 2HG2 THR 4 -5.430 -5.069 -9.064 22 3HG2 THR 4 3HG2 THR 4 -3.841 -5.873 -8.968 23 H ALA 5 H ALA 5 -4.440 -3.572 -5.520 24 HA ALA 5 HA ALA 5 -5.050 -1.439 -7.386 25 1HB ALA 5 1HB ALA 5 -5.411 0.284 -5.606 26 2HB ALA 5 2HB ALA 5 -6.725 -0.921 -5.706 27 3HB ALA 5 3HB ALA 5 -5.515 -1.031 -4.411 28 H THR 6 H THR 6 -3.483 0.154 -7.485 29 HA THR 6 HA THR 6 -0.833 -0.544 -6.312 30 HB THR 6 HB THR 6 -1.435 0.847 -8.936 31 HG1 THR 6 HG1 THR 6 -0.695 -1.139 -9.792 32 1HG2 THR 6 1HG2 THR 6 0.992 0.343 -9.374 33 2HG2 THR 6 2HG2 THR 6 1.136 -0.171 -7.670 34 3HG2 THR 6 3HG2 THR 6 0.722 1.510 -8.074 35 H PHE 7 H PHE 7 0.321 0.978 -5.456 36 HA PHE 7 HA PHE 7 -0.608 3.780 -5.357 37 1HB PHE 7 1HB PHE 7 0.181 2.266 -2.863 38 2HB PHE 7 2HB PHE 7 -0.505 3.882 -3.004 39 HD1 PHE 7 HD1 PHE 7 -2.861 4.308 -3.209 40 HD2 PHE 7 HD2 PHE 7 -1.451 0.195 -3.223 41 HE1 PHE 7 HE1 PHE 7 -5.168 3.461 -3.283 42 HE2 PHE 7 HE2 PHE 7 -3.699 -0.579 -3.225 43 HZ PHE 7 HZ PHE 7 -5.612 1.028 -3.249 44 H ILE 8 H ILE 8 1.080 5.269 -5.188 45 HA ILE 8 HA ILE 8 3.817 4.244 -4.609 46 HB ILE 8 HB ILE 8 3.414 4.486 -7.039 47 1HG1 ILE 8 1HG1 ILE 8 5.323 6.679 -6.115 48 2HG1 ILE 8 2HG1 ILE 8 5.590 4.982 -5.739 49 1HG2 ILE 8 1HG2 ILE 8 1.777 6.280 -7.104 50 2HG2 ILE 8 2HG2 ILE 8 2.999 7.452 -6.550 51 3HG2 ILE 8 3HG2 ILE 8 3.159 6.657 -8.128 52 1HD1 ILE 8 1HD1 ILE 8 6.862 5.583 -7.724 53 2HD1 ILE 8 2HD1 ILE 8 5.634 4.358 -8.088 54 3HD1 ILE 8 3HD1 ILE 8 5.372 6.058 -8.567 55 H ILE 9 H ILE 9 5.027 5.328 -3.338 56 HA ILE 9 HA ILE 9 3.734 7.542 -1.873 57 HB ILE 9 HB ILE 9 5.938 5.721 -0.858 58 1HG1 ILE 9 1HG1 ILE 9 4.372 4.497 0.506 59 2HG1 ILE 9 2HG1 ILE 9 2.995 5.190 -0.251 60 1HG2 ILE 9 1HG2 ILE 9 3.863 7.529 0.475 61 2HG2 ILE 9 2HG2 ILE 9 5.125 6.594 1.315 62 3HG2 ILE 9 3HG2 ILE 9 5.566 7.928 0.249 63 1HD1 ILE 9 1HD1 ILE 9 3.557 2.839 -0.829 64 2HD1 ILE 9 2HD1 ILE 9 3.609 3.832 -2.288 65 3HD1 ILE 9 3HD1 ILE 9 5.120 3.366 -1.436 66 H ASP 10 H ASP 10 4.542 9.443 -2.692 67 HA ASP 10 HA ASP 10 7.320 9.714 -3.432 68 1HB ASP 10 1HB ASP 10 5.376 10.800 -4.543 69 2HB ASP 10 2HB ASP 10 5.267 11.912 -3.225 70 H GLY 11 H GLY 11 7.543 8.820 -1.078 71 1HA GLY 11 1HA GLY 11 9.149 10.670 0.412 72 2HA GLY 11 2HA GLY 11 7.606 10.510 1.209 73 H MET 12 H MET 12 8.037 7.384 0.016 74 HA MET 12 HA MET 12 8.791 6.547 2.704 75 1HB MET 12 1HB MET 12 8.098 4.410 2.184 76 2HB MET 12 2HB MET 12 7.127 5.325 1.162 77 1HG MET 12 1HG MET 12 8.773 4.835 -0.709 78 2HG MET 12 2HG MET 12 9.617 3.776 0.404 79 1HE MET 12 1HE MET 12 9.423 1.715 -1.147 80 2HE MET 12 2HE MET 12 9.081 1.223 0.525 81 3HE MET 12 3HE MET 12 8.083 0.614 -0.801 82 H HIS 13 H HIS 13 10.626 5.560 3.433 83 HA HIS 13 HA HIS 13 13.113 6.362 2.445 84 1HB HIS 13 1HB HIS 13 12.353 4.134 4.340 85 2HB HIS 13 2HB HIS 13 13.974 4.808 4.204 86 HD1 HIS 13 HD1 HIS 13 13.641 5.249 6.889 87 HD2 HIS 13 HD2 HIS 13 11.358 7.607 4.257 88 HE1 HIS 13 HE1 HIS 13 12.807 7.251 8.230 89 H CYS 14 H CYS 14 11.475 4.196 0.759 90 HA CYS 14 HA CYS 14 11.823 2.641 -0.837 91 1HB CYS 14 1HB CYS 14 14.115 4.470 -0.826 92 2HB CYS 14 2HB CYS 14 14.539 2.889 -1.508 93 HG CYS 14 HG CYS 14 13.170 2.885 -3.520 94 H LYS 15 H LYS 15 14.324 2.196 1.669 95 HA LYS 15 HA LYS 15 14.125 -0.751 1.089 96 1HB LYS 15 1HB LYS 15 16.334 0.994 2.099 97 2HB LYS 15 2HB LYS 15 16.175 -0.597 2.857 98 1HG LYS 15 1HG LYS 15 17.710 -0.804 1.030 99 2HG LYS 15 2HG LYS 15 16.239 -1.698 0.656 100 1HD LYS 15 1HD LYS 15 15.504 0.281 -0.759 101 2HD LYS 15 2HD LYS 15 17.094 0.998 -0.510 102 1HE LYS 15 1HE LYS 15 16.523 -1.762 -1.708 103 2HE LYS 15 2HE LYS 15 16.633 -0.313 -2.667 104 1HZ LYS 15 1HZ LYS 15 18.858 -1.407 -1.039 105 2HZ LYS 15 2HZ LYS 15 18.927 -0.019 -1.928 106 3HZ LYS 15 3HZ LYS 15 18.732 -1.462 -2.679 107 H SER 16 H SER 16 14.747 0.707 4.348 108 HA SER 16 HA SER 16 13.095 -1.358 5.495 109 1HB SER 16 1HB SER 16 13.330 0.063 7.592 110 2HB SER 16 2HB SER 16 14.818 -0.549 6.851 111 HG SER 16 HG SER 16 14.955 1.683 7.437 112 H CYS 17 H CYS 17 11.882 1.621 4.037 113 HA CYS 17 HA CYS 17 9.420 1.622 5.579 114 1HB CYS 17 1HB CYS 17 10.532 2.856 3.057 115 2HB CYS 17 2HB CYS 17 8.809 2.740 3.206 116 HG CYS 17 HG CYS 17 8.892 3.636 5.889 117 H VAL 18 H VAL 18 10.617 -0.242 2.805 118 HA VAL 18 HA VAL 18 8.248 -1.216 1.722 119 HB VAL 18 HB VAL 18 11.004 -2.577 1.943 120 1HG1 VAL 18 1HG1 VAL 18 9.262 -4.220 1.260 121 2HG1 VAL 18 2HG1 VAL 18 8.789 -3.085 -0.038 122 3HG1 VAL 18 3HG1 VAL 18 10.384 -3.836 -0.055 123 1HG2 VAL 18 1HG2 VAL 18 9.762 -0.922 -0.284 124 2HG2 VAL 18 2HG2 VAL 18 10.925 -0.274 0.882 125 3HG2 VAL 18 3HG2 VAL 18 11.408 -1.567 -0.203 126 H SER 19 H SER 19 10.219 -2.621 4.337 127 HA SER 19 HA SER 19 8.582 -4.941 4.727 128 1HB SER 19 1HB SER 19 10.956 -4.744 5.282 129 2HB SER 19 2HB SER 19 10.614 -3.525 6.508 130 HG SER 19 HG SER 19 9.624 -6.214 6.528 131 H ASN 20 H ASN 20 8.470 -1.730 6.366 132 HA ASN 20 HA ASN 20 6.372 -2.408 8.240 133 1HB ASN 20 1HB ASN 20 6.848 0.175 6.763 134 2HB ASN 20 2HB ASN 20 5.842 0.021 8.146 135 1HD2 ASN 20 1HD2 ASN 20 8.647 1.229 7.294 136 2HD2 ASN 20 2HD2 ASN 20 9.630 0.880 8.703 137 H ILE 21 H ILE 21 6.384 -1.309 4.845 138 HA ILE 21 HA ILE 21 3.547 -0.939 4.611 139 HB ILE 21 HB ILE 21 5.426 -1.629 2.336 140 1HG1 ILE 21 1HG1 ILE 21 5.737 0.672 4.098 141 2HG1 ILE 21 2HG1 ILE 21 6.604 0.180 2.643 142 1HG2 ILE 21 1HG2 ILE 21 3.781 -0.375 0.996 143 2HG2 ILE 21 2HG2 ILE 21 3.050 -1.733 1.828 144 3HG2 ILE 21 3HG2 ILE 21 2.811 -0.097 2.469 145 1HD1 ILE 21 1HD1 ILE 21 5.146 1.409 1.181 146 2HD1 ILE 21 2HD1 ILE 21 4.158 1.909 2.580 147 3HD1 ILE 21 3HD1 ILE 21 5.845 2.438 2.429 148 H GLU 22 H GLU 22 5.613 -3.781 3.706 149 HA GLU 22 HA GLU 22 3.549 -5.585 3.047 150 1HB GLU 22 1HB GLU 22 6.257 -5.861 4.366 151 2HB GLU 22 2HB GLU 22 5.251 -7.272 4.056 152 1HG GLU 22 1HG GLU 22 5.264 -6.970 1.710 153 2HG GLU 22 2HG GLU 22 5.798 -5.311 1.837 154 H SER 23 H SER 23 4.960 -4.992 6.354 155 HA SER 23 HA SER 23 3.067 -6.778 7.542 156 1HB SER 23 1HB SER 23 5.246 -6.042 8.551 157 2HB SER 23 2HB SER 23 4.543 -4.432 8.811 158 HG SER 23 HG SER 23 2.809 -5.754 9.983 159 H THR 24 H THR 24 2.688 -3.304 6.945 160 HA THR 24 HA THR 24 0.353 -3.107 8.688 161 HB THR 24 HB THR 24 1.466 -1.089 6.635 162 HG1 THR 24 HG1 THR 24 2.879 -1.490 8.259 163 1HG2 THR 24 1HG2 THR 24 -0.503 -0.756 8.956 164 2HG2 THR 24 2HG2 THR 24 -0.924 -0.636 7.234 165 3HG2 THR 24 3HG2 THR 24 0.179 0.545 7.958 166 H LEU 25 H LEU 25 0.978 -3.195 5.209 167 HA LEU 25 HA LEU 25 -1.847 -3.200 4.505 168 1HB LEU 25 1HB LEU 25 0.591 -3.769 2.893 169 2HB LEU 25 2HB LEU 25 -1.033 -3.397 2.273 170 HG LEU 25 HG LEU 25 1.005 -1.511 3.497 171 1HD1 LEU 25 1HD1 LEU 25 0.625 -0.353 1.491 172 2HD1 LEU 25 2HD1 LEU 25 -0.964 -1.158 1.259 173 3HD1 LEU 25 3HD1 LEU 25 0.566 -2.047 1.013 174 1HD2 LEU 25 1HD2 LEU 25 -1.026 -1.020 4.843 175 2HD2 LEU 25 2HD2 LEU 25 -1.953 -0.888 3.331 176 3HD2 LEU 25 3HD2 LEU 25 -0.637 0.252 3.709 177 H SER 26 H SER 26 0.498 -5.864 5.126 178 HA SER 26 HA SER 26 -1.469 -7.709 3.861 179 1HB SER 26 1HB SER 26 0.875 -8.176 3.607 180 2HB SER 26 2HB SER 26 1.089 -8.264 5.334 181 HG SER 26 HG SER 26 -0.598 -9.955 5.230 182 H ALA 27 H ALA 27 -2.055 -5.956 6.433 183 HA ALA 27 HA ALA 27 -3.054 -8.213 8.141 184 1HB ALA 27 1HB ALA 27 -2.588 -6.722 10.052 185 2HB ALA 27 2HB ALA 27 -1.118 -6.998 9.098 186 3HB ALA 27 3HB ALA 27 -1.997 -5.464 8.948 187 H LEU 28 H LEU 28 -4.283 -6.080 5.989 188 HA LEU 28 HA LEU 28 -6.163 -4.726 7.694 189 1HB LEU 28 1HB LEU 28 -6.192 -4.866 4.653 190 2HB LEU 28 2HB LEU 28 -7.096 -3.772 5.644 191 HG LEU 28 HG LEU 28 -4.056 -3.763 5.820 192 1HD1 LEU 28 1HD1 LEU 28 -4.703 -3.482 3.420 193 2HD1 LEU 28 2HD1 LEU 28 -3.923 -2.075 4.143 194 3HD1 LEU 28 3HD1 LEU 28 -5.675 -2.066 3.893 195 1HD2 LEU 28 1HD2 LEU 28 -4.509 -1.506 6.657 196 2HD2 LEU 28 2HD2 LEU 28 -5.530 -2.628 7.548 197 3HD2 LEU 28 3HD2 LEU 28 -6.241 -1.671 6.234 198 H GLN 29 H GLN 29 -8.401 -4.747 7.547 199 HA GLN 29 HA GLN 29 -9.610 -7.245 8.107 200 1HB GLN 29 1HB GLN 29 -10.825 -4.500 7.568 201 2HB GLN 29 2HB GLN 29 -11.636 -5.817 8.412 202 1HG GLN 29 1HG GLN 29 -10.141 -5.669 10.298 203 2HG GLN 29 2HG GLN 29 -9.062 -4.551 9.464 204 1HE2 GLN 29 1HE2 GLN 29 -11.910 -4.706 11.470 205 2HE2 GLN 29 2HE2 GLN 29 -12.245 -2.982 11.332 206 H TYR 30 H TYR 30 -8.763 -6.702 5.188 207 HA TYR 30 HA TYR 30 -10.884 -8.028 3.734 208 1HB TYR 30 1HB TYR 30 -11.111 -5.946 2.163 209 2HB TYR 30 2HB TYR 30 -12.067 -6.081 3.622 210 HD1 TYR 30 HD1 TYR 30 -12.416 -4.104 4.724 211 HD2 TYR 30 HD2 TYR 30 -8.515 -4.751 2.968 212 HE1 TYR 30 HE1 TYR 30 -11.664 -1.899 5.566 213 HE2 TYR 30 HE2 TYR 30 -7.817 -2.536 3.720 214 HH TYR 30 HH TYR 30 -9.900 -0.437 5.732 215 H VAL 31 H VAL 31 -7.640 -7.709 4.088 216 HA VAL 31 HA VAL 31 -7.125 -7.575 1.167 217 HB VAL 31 HB VAL 31 -6.043 -5.746 2.277 218 1HG1 VAL 31 1HG1 VAL 31 -4.176 -7.675 3.564 219 2HG1 VAL 31 2HG1 VAL 31 -4.485 -5.915 3.818 220 3HG1 VAL 31 3HG1 VAL 31 -5.667 -7.091 4.358 221 1HG2 VAL 31 1HG2 VAL 31 -3.738 -6.065 1.371 222 2HG2 VAL 31 2HG2 VAL 31 -4.072 -7.771 1.079 223 3HG2 VAL 31 3HG2 VAL 31 -4.988 -6.503 0.217 224 H SER 32 H SER 32 -6.178 -9.254 0.128 225 HA SER 32 HA SER 32 -5.868 -11.750 1.756 226 1HB SER 32 1HB SER 32 -7.667 -11.442 -0.095 227 2HB SER 32 2HB SER 32 -6.317 -11.650 -1.232 228 HG SER 32 HG SER 32 -5.895 -13.643 -0.269 229 H SER 33 H SER 33 -3.992 -9.505 -0.098 230 HA SER 33 HA SER 33 -1.510 -10.865 0.248 231 1HB SER 33 1HB SER 33 -2.961 -11.322 -2.314 232 2HB SER 33 2HB SER 33 -1.240 -11.082 -2.412 233 HG SER 33 HG SER 33 -2.544 -12.932 -0.699 234 H ILE 34 H ILE 34 0.172 -9.899 -1.230 235 HA ILE 34 HA ILE 34 -0.055 -7.202 -2.204 236 HB ILE 34 HB ILE 34 -0.266 -6.648 0.145 237 1HG1 ILE 34 1HG1 ILE 34 2.624 -6.020 -0.590 238 2HG1 ILE 34 2HG1 ILE 34 1.234 -5.258 -1.381 239 1HG2 ILE 34 1HG2 ILE 34 1.474 -7.214 1.831 240 2HG2 ILE 34 2HG2 ILE 34 0.687 -8.658 1.211 241 3HG2 ILE 34 3HG2 ILE 34 2.309 -8.217 0.637 242 1HD1 ILE 34 1HD1 ILE 34 0.456 -4.417 0.764 243 2HD1 ILE 34 2HD1 ILE 34 1.911 -5.069 1.560 244 3HD1 ILE 34 3HD1 ILE 34 2.071 -3.806 0.327 245 H VAL 35 H VAL 35 1.809 -6.433 -3.108 246 HA VAL 35 HA VAL 35 4.396 -7.831 -2.828 247 HB VAL 35 HB VAL 35 3.003 -7.199 -5.473 248 1HG1 VAL 35 1HG1 VAL 35 5.995 -7.662 -5.066 249 2HG1 VAL 35 2HG1 VAL 35 5.163 -7.735 -6.635 250 3HG1 VAL 35 3HG1 VAL 35 5.212 -6.216 -5.752 251 1HG2 VAL 35 1HG2 VAL 35 4.488 -9.636 -4.373 252 2HG2 VAL 35 2HG2 VAL 35 2.724 -9.516 -4.616 253 3HG2 VAL 35 3HG2 VAL 35 3.801 -9.547 -6.017 254 H VAL 36 H VAL 36 6.059 -6.362 -2.817 255 HA VAL 36 HA VAL 36 5.464 -3.539 -3.579 256 HB VAL 36 HB VAL 36 4.898 -3.733 -1.192 257 1HG1 VAL 36 1HG1 VAL 36 6.785 -4.117 0.424 258 2HG1 VAL 36 2HG1 VAL 36 6.173 -5.547 -0.446 259 3HG1 VAL 36 3HG1 VAL 36 7.709 -4.814 -0.918 260 1HG2 VAL 36 1HG2 VAL 36 7.415 -2.078 -1.620 261 2HG2 VAL 36 2HG2 VAL 36 5.742 -1.580 -1.947 262 3HG2 VAL 36 3HG2 VAL 36 6.255 -1.912 -0.292 263 H SER 37 H SER 37 7.316 -2.252 -4.103 264 HA SER 37 HA SER 37 9.558 -3.800 -5.153 265 1HB SER 37 1HB SER 37 10.330 -1.494 -5.762 266 2HB SER 37 2HB SER 37 8.792 -1.914 -6.466 267 HG SER 37 HG SER 37 9.151 -0.526 -3.993 268 H LEU 38 H LEU 38 11.538 -4.040 -4.226 269 HA LEU 38 HA LEU 38 12.261 -2.521 -1.805 270 1HB LEU 38 1HB LEU 38 12.578 -5.105 -2.467 271 2HB LEU 38 2HB LEU 38 14.037 -4.497 -3.220 272 HG LEU 38 HG LEU 38 13.860 -5.469 -0.686 273 1HD1 LEU 38 1HD1 LEU 38 16.067 -4.391 -0.299 274 2HD1 LEU 38 2HD1 LEU 38 15.791 -3.472 -1.802 275 3HD1 LEU 38 3HD1 LEU 38 15.889 -5.236 -1.859 276 1HD2 LEU 38 1HD2 LEU 38 13.876 -2.467 -0.241 277 2HD2 LEU 38 2HD2 LEU 38 14.210 -3.718 0.972 278 3HD2 LEU 38 3HD2 LEU 38 12.599 -3.597 0.273 279 H GLU 39 H GLU 39 12.804 -2.381 -5.149 280 HA GLU 39 HA GLU 39 15.099 -0.561 -5.099 281 1HB GLU 39 1HB GLU 39 14.582 -2.229 -6.906 282 2HB GLU 39 2HB GLU 39 13.097 -1.357 -7.275 283 1HG GLU 39 1HG GLU 39 14.528 0.682 -7.786 284 2HG GLU 39 2HG GLU 39 15.939 -0.363 -7.510 285 H ASN 40 H ASN 40 11.669 -0.362 -6.020 286 HA ASN 40 HA ASN 40 11.720 2.549 -6.151 287 1HB ASN 40 1HB ASN 40 9.792 0.422 -7.077 288 2HB ASN 40 2HB ASN 40 9.294 2.109 -7.015 289 1HD2 ASN 40 1HD2 ASN 40 11.497 -0.191 -8.544 290 2HD2 ASN 40 2HD2 ASN 40 12.341 0.967 -9.471 291 H ARG 41 H ARG 41 9.472 3.491 -5.570 292 HA ARG 41 HA ARG 41 8.949 3.096 -2.680 293 1HB ARG 41 1HB ARG 41 8.188 5.419 -2.714 294 2HB ARG 41 2HB ARG 41 9.870 5.235 -3.122 295 1HG ARG 41 1HG ARG 41 7.981 5.327 -5.462 296 2HG ARG 41 2HG ARG 41 8.049 6.769 -4.478 297 1HD ARG 41 1HD ARG 41 10.729 6.400 -4.784 298 2HD ARG 41 2HD ARG 41 10.178 5.532 -6.197 299 HE ARG 41 HE ARG 41 9.769 7.535 -7.229 300 1HH1 ARG 41 1HH1 ARG 41 9.570 8.282 -3.744 301 2HH1 ARG 41 2HH1 ARG 41 9.227 9.967 -4.115 302 1HH2 ARG 41 1HH2 ARG 41 9.296 9.756 -7.485 303 2HH2 ARG 41 2HH2 ARG 41 8.934 10.690 -6.040 304 H SER 42 H SER 42 7.531 1.266 -4.481 305 HA SER 42 HA SER 42 4.737 2.272 -4.178 306 1HB SER 42 1HB SER 42 4.377 1.207 -6.520 307 2HB SER 42 2HB SER 42 5.010 2.831 -6.359 308 HG SER 42 HG SER 42 6.513 0.454 -6.809 309 H ALA 43 H ALA 43 3.090 0.809 -4.206 310 HA ALA 43 HA ALA 43 3.768 -2.041 -3.536 311 1HB ALA 43 1HB ALA 43 1.805 -0.144 -2.098 312 2HB ALA 43 2HB ALA 43 2.110 -1.848 -1.705 313 3HB ALA 43 3HB ALA 43 3.392 -0.654 -1.475 314 H ILE 44 H ILE 44 2.348 -3.557 -4.240 315 HA ILE 44 HA ILE 44 -0.147 -2.745 -5.671 316 HB ILE 44 HB ILE 44 1.693 -5.093 -6.285 317 1HG1 ILE 44 1HG1 ILE 44 1.028 -2.647 -7.993 318 2HG1 ILE 44 2HG1 ILE 44 2.534 -2.846 -7.103 319 1HG2 ILE 44 1HG2 ILE 44 -0.717 -5.636 -6.530 320 2HG2 ILE 44 2HG2 ILE 44 -0.953 -4.205 -7.552 321 3HG2 ILE 44 3HG2 ILE 44 0.055 -5.563 -8.105 322 1HD1 ILE 44 1HD1 ILE 44 2.942 -3.424 -9.388 323 2HD1 ILE 44 2HD1 ILE 44 3.028 -4.912 -8.422 324 3HD1 ILE 44 3HD1 ILE 44 1.593 -4.567 -9.421 325 H VAL 45 H VAL 45 -1.811 -3.348 -4.459 326 HA VAL 45 HA VAL 45 -1.395 -5.315 -2.222 327 HB VAL 45 HB VAL 45 -3.077 -2.810 -2.423 328 1HG1 VAL 45 1HG1 VAL 45 -3.880 -4.456 -0.697 329 2HG1 VAL 45 2HG1 VAL 45 -2.258 -4.491 0.020 330 3HG1 VAL 45 3HG1 VAL 45 -3.232 -3.008 0.087 331 1HG2 VAL 45 1HG2 VAL 45 -0.751 -2.080 -2.471 332 2HG2 VAL 45 2HG2 VAL 45 -1.463 -1.693 -0.915 333 3HG2 VAL 45 3HG2 VAL 45 -0.369 -3.092 -1.064 334 H VAL 46 H VAL 46 -2.816 -7.022 -2.222 335 HA VAL 46 HA VAL 46 -4.988 -7.028 -4.276 336 HB VAL 46 HB VAL 46 -3.288 -9.226 -3.039 337 1HG1 VAL 46 1HG1 VAL 46 -5.546 -10.155 -3.430 338 2HG1 VAL 46 2HG1 VAL 46 -5.456 -9.630 -5.128 339 3HG1 VAL 46 3HG1 VAL 46 -4.325 -10.855 -4.492 340 1HG2 VAL 46 1HG2 VAL 46 -3.428 -8.380 -5.948 341 2HG2 VAL 46 2HG2 VAL 46 -2.144 -7.898 -4.812 342 3HG2 VAL 46 3HG2 VAL 46 -2.362 -9.599 -5.235 343 H TYR 47 H TYR 47 -6.995 -6.821 -3.395 344 HA TYR 47 HA TYR 47 -7.463 -7.760 -0.612 345 1HB TYR 47 1HB TYR 47 -8.612 -5.758 -0.036 346 2HB TYR 47 2HB TYR 47 -7.063 -5.293 -0.693 347 HD1 TYR 47 HD1 TYR 47 -10.716 -5.257 -1.120 348 HD2 TYR 47 HD2 TYR 47 -6.979 -4.279 -3.026 349 HE1 TYR 47 HE1 TYR 47 -11.932 -3.924 -2.834 350 HE2 TYR 47 HE2 TYR 47 -8.167 -2.856 -4.666 351 HH TYR 47 HH TYR 47 -11.784 -2.832 -4.769 352 H ASN 48 H ASN 48 -9.677 -8.364 -0.051 353 HA ASN 48 HA ASN 48 -10.952 -9.520 -2.477 354 1HB ASN 48 1HB ASN 48 -10.090 -11.088 -0.734 355 2HB ASN 48 2HB ASN 48 -11.262 -10.411 0.410 356 1HD2 ASN 48 1HD2 ASN 48 -10.858 -12.353 -2.554 357 2HD2 ASN 48 2HD2 ASN 48 -12.546 -12.800 -2.675 358 H ALA 49 H ALA 49 -12.659 -8.583 -3.219 359 HA ALA 49 HA ALA 49 -15.056 -8.050 -1.808 360 1HB ALA 49 1HB ALA 49 -13.347 -5.633 -2.560 361 2HB ALA 49 2HB ALA 49 -15.073 -5.534 -2.145 362 3HB ALA 49 3HB ALA 49 -13.903 -6.042 -0.918 363 H SER 50 H SER 50 -16.766 -7.814 -3.363 364 HA SER 50 HA SER 50 -16.064 -7.835 -6.229 365 1HB SER 50 1HB SER 50 -18.474 -8.256 -6.485 366 2HB SER 50 2HB SER 50 -17.757 -9.418 -5.359 367 HG SER 50 HG SER 50 -19.303 -7.115 -4.771 368 H SER 51 H SER 51 -15.121 -5.551 -5.120 369 HA SER 51 HA SER 51 -16.714 -3.379 -6.091 370 1HB SER 51 1HB SER 51 -16.726 -3.959 -3.127 371 2HB SER 51 2HB SER 51 -16.881 -2.295 -3.717 372 HG SER 51 HG SER 51 -18.462 -4.351 -4.822 373 H VAL 52 H VAL 52 -15.767 -1.232 -5.624 374 HA VAL 52 HA VAL 52 -12.805 -1.388 -5.540 375 HB VAL 52 HB VAL 52 -13.678 -0.837 -7.693 376 1HG1 VAL 52 1HG1 VAL 52 -14.968 1.674 -6.553 377 2HG1 VAL 52 2HG1 VAL 52 -14.911 1.163 -8.245 378 3HG1 VAL 52 3HG1 VAL 52 -15.847 0.220 -7.080 379 1HG2 VAL 52 1HG2 VAL 52 -12.391 1.161 -8.163 380 2HG2 VAL 52 2HG2 VAL 52 -12.417 1.635 -6.456 381 3HG2 VAL 52 3HG2 VAL 52 -11.542 0.167 -6.970 382 H THR 53 H THR 53 -11.786 -0.483 -3.906 383 HA THR 53 HA THR 53 -12.478 2.134 -2.882 384 HB THR 53 HB THR 53 -14.095 0.823 -1.632 385 HG1 THR 53 HG1 THR 53 -12.096 1.771 0.086 386 1HG2 THR 53 1HG2 THR 53 -12.438 -1.176 -1.369 387 2HG2 THR 53 2HG2 THR 53 -13.520 -0.749 -0.007 388 3HG2 THR 53 3HG2 THR 53 -11.815 -0.254 0.018 389 HA PRO 54 HA PRO 54 -7.939 0.759 -2.817 390 1HB PRO 54 1HB PRO 54 -7.017 2.630 -4.593 391 2HB PRO 54 2HB PRO 54 -7.707 1.070 -5.098 392 1HG PRO 54 1HG PRO 54 -9.189 3.714 -4.902 393 2HG PRO 54 2HG PRO 54 -9.074 2.609 -6.319 394 1HD PRO 54 1HD PRO 54 -11.185 2.380 -4.623 395 2HD PRO 54 2HD PRO 54 -10.334 0.918 -5.209 396 H GLU 55 H GLU 55 -9.779 3.787 -2.445 397 HA GLU 55 HA GLU 55 -7.936 5.459 -1.160 398 1HB GLU 55 1HB GLU 55 -10.859 5.128 -1.296 399 2HB GLU 55 2HB GLU 55 -10.386 5.624 0.290 400 1HG GLU 55 1HG GLU 55 -9.956 7.025 -2.378 401 2HG GLU 55 2HG GLU 55 -10.875 7.607 -0.998 402 H SER 56 H SER 56 -9.751 2.641 0.320 403 HA SER 56 HA SER 56 -8.890 3.211 2.971 404 1HB SER 56 1HB SER 56 -9.512 0.452 1.976 405 2HB SER 56 2HB SER 56 -9.953 1.234 3.495 406 HG SER 56 HG SER 56 -11.813 1.201 2.322 407 H LEU 57 H LEU 57 -7.402 1.407 0.318 408 HA LEU 57 HA LEU 57 -5.369 0.134 2.040 409 1HB LEU 57 1HB LEU 57 -5.424 0.489 -0.971 410 2HB LEU 57 2HB LEU 57 -4.326 -0.533 -0.049 411 HG LEU 57 HG LEU 57 -7.307 -0.930 -0.539 412 1HD1 LEU 57 1HD1 LEU 57 -5.792 -3.207 -1.255 413 2HD1 LEU 57 2HD1 LEU 57 -4.809 -1.825 -1.781 414 3HD1 LEU 57 3HD1 LEU 57 -6.466 -1.968 -2.351 415 1HD2 LEU 57 1HD2 LEU 57 -5.491 -2.627 1.224 416 2HD2 LEU 57 2HD2 LEU 57 -7.144 -3.049 0.716 417 3HD2 LEU 57 3HD2 LEU 57 -6.880 -1.651 1.764 418 H ARG 58 H ARG 58 -5.519 2.884 -0.268 419 HA ARG 58 HA ARG 58 -2.955 3.981 -0.007 420 1HB ARG 58 1HB ARG 58 -4.669 4.784 -1.563 421 2HB ARG 58 2HB ARG 58 -5.713 5.209 -0.279 422 1HG ARG 58 1HG ARG 58 -3.652 6.753 0.447 423 2HG ARG 58 2HG ARG 58 -3.287 6.637 -1.279 424 1HD ARG 58 1HD ARG 58 -5.444 7.565 -1.851 425 2HD ARG 58 2HD ARG 58 -5.999 7.440 -0.164 426 HE ARG 58 HE ARG 58 -3.811 8.990 0.153 427 1HH1 ARG 58 1HH1 ARG 58 -6.676 9.434 -1.823 428 2HH1 ARG 58 2HH1 ARG 58 -6.355 11.142 -2.062 429 1HH2 ARG 58 1HH2 ARG 58 -3.522 10.964 0.095 430 2HH2 ARG 58 2HH2 ARG 58 -4.494 12.091 -0.862 431 H LYS 59 H LYS 59 -5.895 4.656 1.991 432 HA LYS 59 HA LYS 59 -4.714 6.176 4.014 433 1HB LYS 59 1HB LYS 59 -7.203 4.598 3.654 434 2HB LYS 59 2HB LYS 59 -6.684 4.721 5.313 435 1HG LYS 59 1HG LYS 59 -8.174 6.579 4.731 436 2HG LYS 59 2HG LYS 59 -6.554 7.153 5.177 437 1HD LYS 59 1HD LYS 59 -6.021 7.243 2.684 438 2HD LYS 59 2HD LYS 59 -7.700 6.885 2.381 439 1HE LYS 59 1HE LYS 59 -8.395 8.985 3.330 440 2HE LYS 59 2HE LYS 59 -6.787 9.233 4.083 441 1HZ LYS 59 1HZ LYS 59 -7.320 9.090 1.196 442 2HZ LYS 59 2HZ LYS 59 -5.821 9.328 1.923 443 3HZ LYS 59 3HZ LYS 59 -7.008 10.488 2.020 444 H ALA 60 H ALA 60 -4.936 2.567 3.914 445 HA ALA 60 HA ALA 60 -3.614 2.168 6.428 446 1HB ALA 60 1HB ALA 60 -4.864 0.430 5.188 447 2HB ALA 60 2HB ALA 60 -3.614 0.418 3.927 448 3HB ALA 60 3HB ALA 60 -3.197 -0.076 5.567 449 H ILE 61 H ILE 61 -2.247 2.729 3.153 450 HA ILE 61 HA ILE 61 0.456 2.525 4.119 451 HB ILE 61 HB ILE 61 -0.119 4.250 1.736 452 1HG1 ILE 61 1HG1 ILE 61 -0.642 1.304 1.779 453 2HG1 ILE 61 2HG1 ILE 61 -1.532 2.609 1.073 454 1HG2 ILE 61 1HG2 ILE 61 1.938 2.063 2.204 455 2HG2 ILE 61 2HG2 ILE 61 2.019 3.380 1.007 456 3HG2 ILE 61 3HG2 ILE 61 2.187 3.729 2.722 457 1HD1 ILE 61 1HD1 ILE 61 -0.638 1.353 -0.704 458 2HD1 ILE 61 2HD1 ILE 61 0.159 2.945 -0.655 459 3HD1 ILE 61 3HD1 ILE 61 1.008 1.488 -0.072 460 H GLU 62 H GLU 62 -1.544 5.437 3.452 461 HA GLU 62 HA GLU 62 0.278 7.395 4.329 462 1HB GLU 62 1HB GLU 62 -2.771 7.349 4.492 463 2HB GLU 62 2HB GLU 62 -1.738 8.752 4.813 464 1HG GLU 62 1HG GLU 62 -0.877 8.749 2.565 465 2HG GLU 62 2HG GLU 62 -1.821 7.311 2.158 466 H ALA 63 H ALA 63 -1.633 5.116 6.244 467 HA ALA 63 HA ALA 63 -1.130 6.556 8.741 468 1HB ALA 63 1HB ALA 63 -3.301 5.430 8.300 469 2HB ALA 63 2HB ALA 63 -2.454 3.867 8.180 470 3HB ALA 63 3HB ALA 63 -2.495 4.743 9.724 471 H VAL 64 H VAL 64 0.954 4.811 7.005 472 HA VAL 64 HA VAL 64 2.161 3.422 9.349 473 HB VAL 64 HB VAL 64 1.915 2.333 6.916 474 1HG1 VAL 64 1HG1 VAL 64 3.712 2.255 5.576 475 2HG1 VAL 64 2HG1 VAL 64 3.248 3.969 5.773 476 3HG1 VAL 64 3HG1 VAL 64 4.695 3.351 6.592 477 1HG2 VAL 64 1HG2 VAL 64 3.805 0.845 7.582 478 2HG2 VAL 64 2HG2 VAL 64 4.504 2.146 8.583 479 3HG2 VAL 64 3HG2 VAL 64 2.987 1.357 9.075 480 H SER 65 H SER 65 2.722 6.086 7.085 481 HA SER 65 HA SER 65 4.389 7.267 9.150 482 1HB SER 65 1HB SER 65 5.771 7.557 6.560 483 2HB SER 65 2HB SER 65 6.300 7.438 8.238 484 HG SER 65 HG SER 65 5.642 5.142 8.026 485 HA PRO 66 HA PRO 66 1.205 9.911 7.074 486 1HB PRO 66 1HB PRO 66 0.274 11.030 9.490 487 2HB PRO 66 2HB PRO 66 -0.427 9.639 8.618 488 1HG PRO 66 1HG PRO 66 1.540 9.615 10.918 489 2HG PRO 66 2HG PRO 66 0.091 8.582 10.677 490 1HD PRO 66 1HD PRO 66 2.507 7.573 10.078 491 2HD PRO 66 2HD PRO 66 1.194 7.324 8.961 492 H GLY 67 H GLY 67 1.381 11.992 6.505 493 1HA GLY 67 1HA GLY 67 2.147 14.224 6.491 494 2HA GLY 67 2HA GLY 67 3.238 13.866 7.860 495 H LEU 68 H LEU 68 4.543 11.613 6.823 496 HA LEU 68 HA LEU 68 6.421 12.727 4.847 497 1HB LEU 68 1HB LEU 68 7.152 11.338 6.735 498 2HB LEU 68 2HB LEU 68 6.150 10.010 6.173 499 HG LEU 68 HG LEU 68 7.522 9.883 4.067 500 1HD1 LEU 68 1HD1 LEU 68 9.748 10.991 4.111 501 2HD1 LEU 68 2HD1 LEU 68 9.237 11.918 5.540 502 3HD1 LEU 68 3HD1 LEU 68 8.420 12.153 3.971 503 1HD2 LEU 68 1HD2 LEU 68 7.918 8.440 6.030 504 2HD2 LEU 68 2HD2 LEU 68 9.023 9.661 6.697 505 3HD2 LEU 68 3HD2 LEU 68 9.426 8.820 5.181 506 H TYR 69 H TYR 69 3.919 10.178 4.912 507 HA TYR 69 HA TYR 69 4.600 9.249 2.302 508 1HB TYR 69 1HB TYR 69 2.520 8.530 4.363 509 2HB TYR 69 2HB TYR 69 2.404 7.905 2.740 510 HD1 TYR 69 HD1 TYR 69 5.832 8.404 4.127 511 HD2 TYR 69 HD2 TYR 69 2.586 5.646 3.532 512 HE1 TYR 69 HE1 TYR 69 7.363 6.516 4.534 513 HE2 TYR 69 HE2 TYR 69 4.139 3.761 3.745 514 HH TYR 69 HH TYR 69 7.530 4.275 4.745 515 H ARG 70 H ARG 70 4.423 10.695 0.707 516 HA ARG 70 HA ARG 70 1.890 11.839 -0.166 517 1HB ARG 70 1HB ARG 70 4.647 11.519 -1.246 518 2HB ARG 70 2HB ARG 70 3.302 11.944 -2.299 519 1HG ARG 70 1HG ARG 70 2.778 13.875 -0.808 520 2HG ARG 70 2HG ARG 70 4.327 13.578 0.059 521 1HD ARG 70 1HD ARG 70 5.497 13.704 -2.082 522 2HD ARG 70 2HD ARG 70 3.915 13.814 -2.921 523 HE ARG 70 HE ARG 70 4.036 15.984 -1.175 524 1HH1 ARG 70 1HH1 ARG 70 6.081 14.936 -3.917 525 2HH1 ARG 70 2HH1 ARG 70 6.387 16.557 -4.422 526 1HH2 ARG 70 1HH2 ARG 70 4.541 18.063 -1.865 527 2HH2 ARG 70 2HH2 ARG 70 5.571 18.295 -3.254 528 H VAL 71 H VAL 71 0.615 9.921 -0.086 529 HA VAL 71 HA VAL 71 1.289 7.673 -1.901 530 HB VAL 71 HB VAL 71 -1.204 7.773 -0.177 531 1HG1 VAL 71 1HG1 VAL 71 -1.188 6.046 -2.004 532 2HG1 VAL 71 2HG1 VAL 71 0.382 5.464 -1.418 533 3HG1 VAL 71 3HG1 VAL 71 -1.065 5.305 -0.402 534 1HG2 VAL 71 1HG2 VAL 71 1.596 6.700 0.425 535 2HG2 VAL 71 2HG2 VAL 71 0.773 8.021 1.257 536 3HG2 VAL 71 3HG2 VAL 71 0.160 6.382 1.414 537 H SER 72 H SER 72 0.773 7.503 -3.882 538 HA SER 72 HA SER 72 -1.643 8.921 -4.964 539 1HB SER 72 1HB SER 72 0.643 8.269 -6.740 540 2HB SER 72 2HB SER 72 -0.403 9.678 -6.684 541 HG SER 72 HG SER 72 1.726 9.147 -4.875 542 H ILE 73 H ILE 73 -3.053 7.727 -6.181 543 HA ILE 73 HA ILE 73 -2.628 4.813 -6.534 544 HB ILE 73 HB ILE 73 -5.088 6.461 -7.262 545 1HG1 ILE 73 1HG1 ILE 73 -4.515 5.066 -4.627 546 2HG1 ILE 73 2HG1 ILE 73 -4.587 6.797 -4.835 547 1HG2 ILE 73 1HG2 ILE 73 -4.738 3.493 -6.612 548 2HG2 ILE 73 2HG2 ILE 73 -6.220 4.286 -7.196 549 3HG2 ILE 73 3HG2 ILE 73 -4.825 4.151 -8.257 550 1HD1 ILE 73 1HD1 ILE 73 -6.976 6.646 -5.495 551 2HD1 ILE 73 2HD1 ILE 73 -6.934 4.903 -5.138 552 3HD1 ILE 73 3HD1 ILE 73 -6.646 6.074 -3.846 553 H THR 74 H THR 74 -0.967 4.807 -8.076 554 HA THR 74 HA THR 74 -1.408 6.166 -10.622 555 HB THR 74 HB THR 74 0.819 6.133 -9.844 556 HG1 THR 74 HG1 THR 74 0.365 5.890 -12.092 557 1HG2 THR 74 1HG2 THR 74 0.863 4.036 -8.495 558 2HG2 THR 74 2HG2 THR 74 2.209 4.158 -9.636 559 3HG2 THR 74 3HG2 THR 74 0.843 3.092 -10.004 560 H SER 75 H SER 75 -2.783 5.499 -12.014 561 HA SER 75 HA SER 75 -2.696 2.904 -13.252 562 1HB SER 75 1HB SER 75 -4.036 2.418 -11.158 563 2HB SER 75 2HB SER 75 -5.253 3.560 -11.740 564 HG SER 75 HG SER 75 -5.658 1.338 -12.329 565 H GLU 76 H GLU 76 -4.722 2.816 -14.818 566 HA GLU 76 HA GLU 76 -4.362 5.026 -16.618 567 1HB GLU 76 1HB GLU 76 -4.476 2.521 -16.987 568 2HB GLU 76 2HB GLU 76 -6.229 2.647 -16.918 569 1HG GLU 76 1HG GLU 76 -6.192 4.153 -18.886 570 2HG GLU 76 2HG GLU 76 -4.420 4.163 -18.870 571 H VAL 77 H VAL 77 -5.550 6.136 -14.503 572 HA VAL 77 HA VAL 77 -8.485 6.196 -14.735 573 HB VAL 77 HB VAL 77 -6.930 7.905 -12.768 574 1HG1 VAL 77 1HG1 VAL 77 -8.962 7.582 -11.385 575 2HG1 VAL 77 2HG1 VAL 77 -9.430 8.266 -12.940 576 3HG1 VAL 77 3HG1 VAL 77 -9.673 6.540 -12.634 577 1HG2 VAL 77 1HG2 VAL 77 -6.040 5.679 -12.399 578 2HG2 VAL 77 2HG2 VAL 77 -7.202 6.029 -11.130 579 3HG2 VAL 77 3HG2 VAL 77 -7.666 4.960 -12.472 Start of MODEL 22 1 1H ASN 1 1HT ASN 1 -13.918 -14.954 -6.356 2 HA ASN 1 HA ASN 1 -11.277 -13.951 -6.649 3 1HB ASN 1 1HB ASN 1 -13.486 -13.997 -8.235 4 2HB ASN 1 2HB ASN 1 -13.548 -12.313 -7.705 5 1HD2 ASN 1 1HD2 ASN 1 -11.218 -11.106 -7.939 6 2HD2 ASN 1 2HD2 ASN 1 -10.337 -11.609 -9.367 7 H ASP 2 H ASP 2 -10.255 -12.125 -6.030 8 HA ASP 2 HA ASP 2 -11.532 -10.228 -4.184 9 1HB ASP 2 1HB ASP 2 -9.051 -9.781 -3.578 10 2HB ASP 2 2HB ASP 2 -9.792 -11.255 -3.031 11 H SER 3 H SER 3 -9.690 -8.190 -4.381 12 HA SER 3 HA SER 3 -9.792 -7.244 -7.196 13 1HB SER 3 1HB SER 3 -11.400 -6.029 -5.632 14 2HB SER 3 2HB SER 3 -10.001 -5.503 -4.709 15 HG SER 3 HG SER 3 -10.936 -4.781 -7.243 16 H THR 4 H THR 4 -8.195 -5.218 -7.192 17 HA THR 4 HA THR 4 -5.711 -5.572 -5.736 18 HB THR 4 HB THR 4 -5.896 -6.481 -8.627 19 HG1 THR 4 HG1 THR 4 -6.009 -7.762 -6.492 20 1HG2 THR 4 1HG2 THR 4 -3.364 -5.793 -7.057 21 2HG2 THR 4 2HG2 THR 4 -3.903 -5.031 -8.577 22 3HG2 THR 4 3HG2 THR 4 -3.412 -6.728 -8.564 23 H ALA 5 H ALA 5 -4.415 -3.834 -5.905 24 HA ALA 5 HA ALA 5 -4.724 -1.871 -8.030 25 1HB ALA 5 1HB ALA 5 -5.477 -1.224 -5.160 26 2HB ALA 5 2HB ALA 5 -5.039 0.033 -6.335 27 3HB ALA 5 3HB ALA 5 -6.460 -1.004 -6.616 28 H THR 6 H THR 6 -3.070 -0.272 -8.015 29 HA THR 6 HA THR 6 -0.611 -1.002 -6.493 30 HB THR 6 HB THR 6 -0.730 0.464 -9.124 31 HG1 THR 6 HG1 THR 6 -0.066 -1.498 -10.005 32 1HG2 THR 6 1HG2 THR 6 1.696 -0.085 -9.148 33 2HG2 THR 6 2HG2 THR 6 1.516 -0.826 -7.531 34 3HG2 THR 6 3HG2 THR 6 1.242 0.913 -7.754 35 H PHE 7 H PHE 7 0.278 0.472 -5.334 36 HA PHE 7 HA PHE 7 -0.701 3.286 -5.393 37 1HB PHE 7 1HB PHE 7 0.017 1.826 -2.836 38 2HB PHE 7 2HB PHE 7 -0.725 3.413 -3.043 39 HD1 PHE 7 HD1 PHE 7 -3.067 3.701 -3.164 40 HD2 PHE 7 HD2 PHE 7 -1.429 -0.279 -3.555 41 HE1 PHE 7 HE1 PHE 7 -5.346 2.735 -3.169 42 HE2 PHE 7 HE2 PHE 7 -3.672 -1.205 -3.609 43 HZ PHE 7 HZ PHE 7 -5.669 0.287 -3.383 44 H ILE 8 H ILE 8 0.826 4.888 -4.906 45 HA ILE 8 HA ILE 8 3.657 4.036 -4.611 46 HB ILE 8 HB ILE 8 3.004 4.428 -6.978 47 1HG1 ILE 8 1HG1 ILE 8 4.943 6.595 -6.095 48 2HG1 ILE 8 2HG1 ILE 8 5.276 4.891 -5.794 49 1HG2 ILE 8 1HG2 ILE 8 2.597 6.652 -7.878 50 2HG2 ILE 8 2HG2 ILE 8 1.324 6.200 -6.741 51 3HG2 ILE 8 3HG2 ILE 8 2.591 7.346 -6.249 52 1HD1 ILE 8 1HD1 ILE 8 5.147 4.324 -8.133 53 2HD1 ILE 8 2HD1 ILE 8 4.774 6.017 -8.563 54 3HD1 ILE 8 3HD1 ILE 8 6.355 5.593 -7.865 55 H ILE 9 H ILE 9 4.877 5.163 -3.340 56 HA ILE 9 HA ILE 9 3.584 7.310 -1.747 57 HB ILE 9 HB ILE 9 5.695 5.274 -0.930 58 1HG1 ILE 9 1HG1 ILE 9 4.181 4.144 0.473 59 2HG1 ILE 9 2HG1 ILE 9 2.815 5.084 -0.035 60 1HG2 ILE 9 1HG2 ILE 9 4.010 7.281 0.664 61 2HG2 ILE 9 2HG2 ILE 9 5.191 6.122 1.352 62 3HG2 ILE 9 3HG2 ILE 9 5.731 7.435 0.325 63 1HD1 ILE 9 1HD1 ILE 9 3.071 2.689 -0.839 64 2HD1 ILE 9 2HD1 ILE 9 2.772 3.857 -2.124 65 3HD1 ILE 9 3HD1 ILE 9 4.427 3.223 -1.828 66 H ASP 10 H ASP 10 4.444 9.135 -2.638 67 HA ASP 10 HA ASP 10 7.157 9.241 -3.572 68 1HB ASP 10 1HB ASP 10 4.725 10.837 -3.602 69 2HB ASP 10 2HB ASP 10 6.052 11.877 -3.237 70 H GLY 11 H GLY 11 6.496 9.042 -0.523 71 1HA GLY 11 1HA GLY 11 8.631 10.936 0.438 72 2HA GLY 11 2HA GLY 11 7.144 10.657 1.363 73 H MET 12 H MET 12 8.234 7.853 -0.240 74 HA MET 12 HA MET 12 8.547 6.478 2.284 75 1HB MET 12 1HB MET 12 7.611 5.728 -0.025 76 2HB MET 12 2HB MET 12 9.258 5.390 -0.487 77 1HG MET 12 1HG MET 12 8.220 4.299 2.066 78 2HG MET 12 2HG MET 12 7.420 3.719 0.665 79 1HE MET 12 1HE MET 12 8.106 1.057 0.108 80 2HE MET 12 2HE MET 12 8.027 2.362 -1.087 81 3HE MET 12 3HE MET 12 9.390 1.231 -1.108 82 H HIS 13 H HIS 13 10.475 5.928 3.354 83 HA HIS 13 HA HIS 13 12.985 7.051 2.661 84 1HB HIS 13 1HB HIS 13 12.342 4.582 4.283 85 2HB HIS 13 2HB HIS 13 13.921 5.345 4.225 86 HD1 HIS 13 HD1 HIS 13 13.527 5.496 6.955 87 HD2 HIS 13 HD2 HIS 13 11.248 8.030 4.493 88 HE1 HIS 13 HE1 HIS 13 12.619 7.350 8.454 89 H CYS 14 H CYS 14 11.441 4.559 1.011 90 HA CYS 14 HA CYS 14 11.982 3.531 -0.937 91 1HB CYS 14 1HB CYS 14 13.488 5.547 -1.221 92 2HB CYS 14 2HB CYS 14 14.830 4.550 -0.636 93 HG CYS 14 HG CYS 14 14.813 4.727 -3.322 94 H LYS 15 H LYS 15 14.446 3.107 1.588 95 HA LYS 15 HA LYS 15 13.970 0.170 1.380 96 1HB LYS 15 1HB LYS 15 16.657 1.484 1.946 97 2HB LYS 15 2HB LYS 15 16.336 -0.252 1.972 98 1HG LYS 15 1HG LYS 15 16.106 1.562 -0.485 99 2HG LYS 15 2HG LYS 15 17.451 0.495 -0.134 100 1HD LYS 15 1HD LYS 15 16.209 -1.467 -0.503 101 2HD LYS 15 2HD LYS 15 14.656 -0.667 -0.373 102 1HE LYS 15 1HE LYS 15 16.564 -0.333 -2.710 103 2HE LYS 15 2HE LYS 15 15.105 -1.365 -2.622 104 1HZ LYS 15 1HZ LYS 15 14.985 1.600 -2.359 105 2HZ LYS 15 2HZ LYS 15 13.742 0.535 -2.354 106 3HZ LYS 15 3HZ LYS 15 14.579 0.752 -3.709 107 H SER 16 H SER 16 14.143 -0.974 3.356 108 HA SER 16 HA SER 16 13.203 -1.414 5.396 109 1HB SER 16 1HB SER 16 13.970 1.402 6.246 110 2HB SER 16 2HB SER 16 13.576 0.009 7.268 111 HG SER 16 HG SER 16 15.864 0.282 7.016 112 H CYS 17 H CYS 17 12.060 1.898 4.281 113 HA CYS 17 HA CYS 17 9.547 1.750 5.604 114 1HB CYS 17 1HB CYS 17 10.441 3.248 3.089 115 2HB CYS 17 2HB CYS 17 8.803 3.026 3.460 116 HG CYS 17 HG CYS 17 9.011 3.830 6.104 117 H VAL 18 H VAL 18 10.292 0.483 2.367 118 HA VAL 18 HA VAL 18 8.258 -0.912 1.525 119 HB VAL 18 HB VAL 18 11.078 -1.964 2.075 120 1HG1 VAL 18 1HG1 VAL 18 10.128 -4.043 1.769 121 2HG1 VAL 18 2HG1 VAL 18 8.862 -3.457 0.694 122 3HG1 VAL 18 3HG1 VAL 18 10.517 -3.618 0.100 123 1HG2 VAL 18 1HG2 VAL 18 11.543 -1.475 -0.235 124 2HG2 VAL 18 2HG2 VAL 18 9.860 -0.987 -0.523 125 3HG2 VAL 18 3HG2 VAL 18 10.902 -0.039 0.560 126 H SER 19 H SER 19 10.147 -2.261 4.317 127 HA SER 19 HA SER 19 8.488 -4.680 4.349 128 1HB SER 19 1HB SER 19 10.869 -4.713 4.943 129 2HB SER 19 2HB SER 19 10.628 -3.511 6.208 130 HG SER 19 HG SER 19 9.551 -6.166 6.179 131 H ASN 20 H ASN 20 8.527 -1.634 6.258 132 HA ASN 20 HA ASN 20 6.435 -2.311 8.092 133 1HB ASN 20 1HB ASN 20 6.922 0.321 6.684 134 2HB ASN 20 2HB ASN 20 5.926 0.113 8.062 135 1HD2 ASN 20 1HD2 ASN 20 8.880 1.111 7.120 136 2HD2 ASN 20 2HD2 ASN 20 9.704 0.919 8.667 137 H ILE 21 H ILE 21 6.324 -1.099 4.704 138 HA ILE 21 HA ILE 21 3.456 -0.639 4.819 139 HB ILE 21 HB ILE 21 4.735 -1.049 2.138 140 1HG1 ILE 21 1HG1 ILE 21 5.817 1.011 4.071 141 2HG1 ILE 21 2HG1 ILE 21 6.545 0.035 2.816 142 1HG2 ILE 21 1HG2 ILE 21 3.241 0.805 1.559 143 2HG2 ILE 21 2HG2 ILE 21 2.371 -0.449 2.426 144 3HG2 ILE 21 3HG2 ILE 21 2.842 1.025 3.287 145 1HD1 ILE 21 1HD1 ILE 21 5.678 1.370 1.018 146 2HD1 ILE 21 2HD1 ILE 21 4.847 2.434 2.173 147 3HD1 ILE 21 3HD1 ILE 21 6.614 2.336 2.178 148 H GLU 22 H GLU 22 5.441 -3.289 3.499 149 HA GLU 22 HA GLU 22 3.358 -4.999 2.619 150 1HB GLU 22 1HB GLU 22 6.089 -5.552 3.854 151 2HB GLU 22 2HB GLU 22 5.074 -6.782 3.141 152 1HG GLU 22 1HG GLU 22 5.097 -5.140 1.016 153 2HG GLU 22 2HG GLU 22 6.514 -4.509 1.807 154 H SER 23 H SER 23 4.918 -4.763 5.854 155 HA SER 23 HA SER 23 3.265 -6.717 7.071 156 1HB SER 23 1HB SER 23 4.759 -4.371 8.347 157 2HB SER 23 2HB SER 23 4.221 -5.846 9.185 158 HG SER 23 HG SER 23 6.239 -5.516 7.218 159 H THR 24 H THR 24 2.868 -3.178 7.217 160 HA THR 24 HA THR 24 0.635 -3.193 9.013 161 HB THR 24 HB THR 24 1.699 -1.084 7.061 162 HG1 THR 24 HG1 THR 24 2.611 -0.332 8.956 163 1HG2 THR 24 1HG2 THR 24 0.446 0.552 8.463 164 2HG2 THR 24 2HG2 THR 24 -0.350 -0.796 9.308 165 3HG2 THR 24 3HG2 THR 24 -0.646 -0.518 7.578 166 H LEU 25 H LEU 25 0.859 -3.219 5.459 167 HA LEU 25 HA LEU 25 -2.028 -3.105 5.117 168 1HB LEU 25 1HB LEU 25 0.314 -3.798 3.352 169 2HB LEU 25 2HB LEU 25 -1.322 -3.919 2.766 170 HG LEU 25 HG LEU 25 0.214 -1.756 2.350 171 1HD1 LEU 25 1HD1 LEU 25 -1.897 -2.189 1.292 172 2HD1 LEU 25 2HD1 LEU 25 -1.882 -0.522 1.897 173 3HD1 LEU 25 3HD1 LEU 25 -2.790 -1.762 2.777 174 1HD2 LEU 25 1HD2 LEU 25 0.452 -0.983 4.669 175 2HD2 LEU 25 2HD2 LEU 25 -1.317 -0.942 4.866 176 3HD2 LEU 25 3HD2 LEU 25 -0.522 0.156 3.753 177 H SER 26 H SER 26 0.398 -5.841 5.050 178 HA SER 26 HA SER 26 -1.630 -7.718 4.228 179 1HB SER 26 1HB SER 26 0.844 -8.025 3.928 180 2HB SER 26 2HB SER 26 1.004 -8.257 5.658 181 HG SER 26 HG SER 26 -0.625 -9.957 5.372 182 H ALA 27 H ALA 27 -1.847 -6.100 6.937 183 HA ALA 27 HA ALA 27 -2.644 -8.348 8.751 184 1HB ALA 27 1HB ALA 27 -1.989 -5.418 9.351 185 2HB ALA 27 2HB ALA 27 -2.436 -6.655 10.547 186 3HB ALA 27 3HB ALA 27 -0.910 -6.796 9.647 187 H LEU 28 H LEU 28 -3.927 -6.191 6.464 188 HA LEU 28 HA LEU 28 -6.119 -5.212 8.039 189 1HB LEU 28 1HB LEU 28 -5.632 -5.216 5.037 190 2HB LEU 28 2HB LEU 28 -6.938 -4.353 5.844 191 HG LEU 28 HG LEU 28 -4.031 -3.812 6.552 192 1HD1 LEU 28 1HD1 LEU 28 -5.609 -2.161 4.552 193 2HD1 LEU 28 2HD1 LEU 28 -4.489 -3.457 4.046 194 3HD1 LEU 28 3HD1 LEU 28 -3.904 -2.069 4.966 195 1HD2 LEU 28 1HD2 LEU 28 -5.709 -2.974 8.129 196 2HD2 LEU 28 2HD2 LEU 28 -6.586 -2.185 6.795 197 3HD2 LEU 28 3HD2 LEU 28 -4.943 -1.640 7.247 198 H GLN 29 H GLN 29 -8.030 -6.206 8.428 199 HA GLN 29 HA GLN 29 -8.451 -8.884 8.019 200 1HB GLN 29 1HB GLN 29 -10.699 -8.544 8.836 201 2HB GLN 29 2HB GLN 29 -9.602 -7.450 9.681 202 1HG GLN 29 1HG GLN 29 -10.339 -5.601 8.092 203 2HG GLN 29 2HG GLN 29 -11.533 -6.722 7.424 204 1HE2 GLN 29 1HE2 GLN 29 -13.207 -7.603 9.015 205 2HE2 GLN 29 2HE2 GLN 29 -13.598 -6.542 10.377 206 H TYR 30 H TYR 30 -9.149 -6.507 5.573 207 HA TYR 30 HA TYR 30 -10.764 -8.412 3.973 208 1HB TYR 30 1HB TYR 30 -10.836 -6.360 2.426 209 2HB TYR 30 2HB TYR 30 -11.731 -6.332 3.924 210 HD1 TYR 30 HD1 TYR 30 -11.873 -4.231 4.808 211 HD2 TYR 30 HD2 TYR 30 -8.073 -5.397 3.093 212 HE1 TYR 30 HE1 TYR 30 -10.917 -2.020 5.390 213 HE2 TYR 30 HE2 TYR 30 -7.188 -3.201 3.585 214 HH TYR 30 HH TYR 30 -9.022 -0.691 5.362 215 H VAL 31 H VAL 31 -7.359 -7.731 4.256 216 HA VAL 31 HA VAL 31 -7.059 -7.660 1.323 217 HB VAL 31 HB VAL 31 -5.793 -6.030 2.740 218 1HG1 VAL 31 1HG1 VAL 31 -4.130 -8.450 3.290 219 2HG1 VAL 31 2HG1 VAL 31 -3.627 -6.748 3.408 220 3HG1 VAL 31 3HG1 VAL 31 -4.962 -7.324 4.430 221 1HG2 VAL 31 1HG2 VAL 31 -3.779 -6.067 1.360 222 2HG2 VAL 31 2HG2 VAL 31 -4.072 -7.749 0.912 223 3HG2 VAL 31 3HG2 VAL 31 -5.170 -6.455 0.350 224 H SER 32 H SER 32 -6.099 -9.151 0.085 225 HA SER 32 HA SER 32 -6.164 -11.952 1.114 226 1HB SER 32 1HB SER 32 -7.749 -11.169 -0.646 227 2HB SER 32 2HB SER 32 -6.382 -10.779 -1.678 228 HG SER 32 HG SER 32 -7.043 -12.700 -2.325 229 H SER 33 H SER 33 -4.089 -9.554 -0.520 230 HA SER 33 HA SER 33 -1.720 -10.919 0.368 231 1HB SER 33 1HB SER 33 -2.426 -12.093 -1.882 232 2HB SER 33 2HB SER 33 -1.785 -10.661 -2.640 233 HG SER 33 HG SER 33 -0.298 -12.493 -2.217 234 H ILE 34 H ILE 34 0.229 -9.951 -0.707 235 HA ILE 34 HA ILE 34 0.074 -7.453 -1.959 236 HB ILE 34 HB ILE 34 -0.508 -6.609 0.293 237 1HG1 ILE 34 1HG1 ILE 34 2.338 -5.704 -0.304 238 2HG1 ILE 34 2HG1 ILE 34 0.919 -5.190 -1.226 239 1HG2 ILE 34 1HG2 ILE 34 0.966 -6.779 2.218 240 2HG2 ILE 34 2HG2 ILE 34 0.625 -8.400 1.633 241 3HG2 ILE 34 3HG2 ILE 34 2.190 -7.644 1.272 242 1HD1 ILE 34 1HD1 ILE 34 1.416 -4.699 1.733 243 2HD1 ILE 34 2HD1 ILE 34 1.468 -3.501 0.434 244 3HD1 ILE 34 3HD1 ILE 34 -0.073 -4.275 0.875 245 H VAL 35 H VAL 35 2.006 -6.703 -2.748 246 HA VAL 35 HA VAL 35 4.579 -7.853 -1.837 247 HB VAL 35 HB VAL 35 3.592 -7.784 -4.720 248 1HG1 VAL 35 1HG1 VAL 35 5.920 -8.398 -5.428 249 2HG1 VAL 35 2HG1 VAL 35 5.790 -6.744 -4.847 250 3HG1 VAL 35 3HG1 VAL 35 6.492 -7.995 -3.795 251 1HG2 VAL 35 1HG2 VAL 35 3.257 -9.924 -3.488 252 2HG2 VAL 35 2HG2 VAL 35 4.567 -10.153 -4.659 253 3HG2 VAL 35 3HG2 VAL 35 4.953 -9.858 -2.938 254 H VAL 36 H VAL 36 5.973 -6.270 -1.554 255 HA VAL 36 HA VAL 36 5.409 -3.615 -2.923 256 HB VAL 36 HB VAL 36 7.006 -4.249 -0.456 257 1HG1 VAL 36 1HG1 VAL 36 8.471 -2.734 -1.630 258 2HG1 VAL 36 2HG1 VAL 36 7.105 -1.672 -2.066 259 3HG1 VAL 36 3HG1 VAL 36 7.593 -1.849 -0.372 260 1HG2 VAL 36 1HG2 VAL 36 4.986 -2.055 -1.041 261 2HG2 VAL 36 2HG2 VAL 36 4.469 -3.634 -0.440 262 3HG2 VAL 36 3HG2 VAL 36 5.543 -2.606 0.545 263 H SER 37 H SER 37 6.657 -2.785 -4.382 264 HA SER 37 HA SER 37 8.815 -4.329 -5.628 265 1HB SER 37 1HB SER 37 7.574 -1.597 -6.011 266 2HB SER 37 2HB SER 37 9.141 -1.981 -6.709 267 HG SER 37 HG SER 37 7.811 -2.580 -8.250 268 H LEU 38 H LEU 38 10.248 -4.644 -3.855 269 HA LEU 38 HA LEU 38 11.273 -2.952 -1.997 270 1HB LEU 38 1HB LEU 38 11.824 -5.489 -2.773 271 2HB LEU 38 2HB LEU 38 13.262 -4.700 -3.438 272 HG LEU 38 HG LEU 38 12.402 -4.531 -0.524 273 1HD1 LEU 38 1HD1 LEU 38 14.486 -6.333 -1.816 274 2HD1 LEU 38 2HD1 LEU 38 12.913 -6.854 -1.169 275 3HD1 LEU 38 3HD1 LEU 38 14.138 -6.202 -0.076 276 1HD2 LEU 38 1HD2 LEU 38 13.833 -2.702 -0.965 277 2HD2 LEU 38 2HD2 LEU 38 14.971 -3.705 -1.907 278 3HD2 LEU 38 3HD2 LEU 38 14.810 -3.911 -0.147 279 H GLU 39 H GLU 39 12.422 -3.079 -5.379 280 HA GLU 39 HA GLU 39 14.486 -1.219 -5.128 281 1HB GLU 39 1HB GLU 39 14.092 -2.811 -6.969 282 2HB GLU 39 2HB GLU 39 12.698 -1.896 -7.500 283 1HG GLU 39 1HG GLU 39 15.332 -0.424 -7.273 284 2HG GLU 39 2HG GLU 39 15.160 -1.664 -8.522 285 H ASN 40 H ASN 40 11.099 -0.795 -6.037 286 HA ASN 40 HA ASN 40 11.258 2.062 -6.530 287 1HB ASN 40 1HB ASN 40 8.784 0.324 -6.367 288 2HB ASN 40 2HB ASN 40 8.976 1.875 -7.191 289 1HD2 ASN 40 1HD2 ASN 40 11.615 1.225 -8.400 290 2HD2 ASN 40 2HD2 ASN 40 11.359 0.012 -9.522 291 H ARG 41 H ARG 41 9.196 3.179 -5.801 292 HA ARG 41 HA ARG 41 8.881 3.248 -2.850 293 1HB ARG 41 1HB ARG 41 8.153 5.562 -3.241 294 2HB ARG 41 2HB ARG 41 9.757 5.274 -3.840 295 1HG ARG 41 1HG ARG 41 7.921 4.744 -6.013 296 2HG ARG 41 2HG ARG 41 7.359 6.209 -5.228 297 1HD ARG 41 1HD ARG 41 10.310 6.024 -5.767 298 2HD ARG 41 2HD ARG 41 9.267 6.056 -7.155 299 HE ARG 41 HE ARG 41 8.224 8.183 -6.137 300 1HH1 ARG 41 1HH1 ARG 41 11.606 7.414 -5.416 301 2HH1 ARG 41 2HH1 ARG 41 11.936 9.062 -4.945 302 1HH2 ARG 41 1HH2 ARG 41 8.685 10.175 -5.523 303 2HH2 ARG 41 2HH2 ARG 41 10.267 10.627 -4.956 304 H SER 42 H SER 42 7.463 1.196 -4.581 305 HA SER 42 HA SER 42 4.647 2.075 -4.244 306 1HB SER 42 1HB SER 42 4.479 0.888 -6.676 307 2HB SER 42 2HB SER 42 4.568 2.614 -6.377 308 HG SER 42 HG SER 42 6.525 0.918 -7.412 309 H ALA 43 H ALA 43 3.031 0.466 -4.297 310 HA ALA 43 HA ALA 43 3.910 -2.312 -3.540 311 1HB ALA 43 1HB ALA 43 2.333 -2.139 -1.692 312 2HB ALA 43 2HB ALA 43 3.367 -0.699 -1.590 313 3HB ALA 43 3HB ALA 43 1.732 -0.564 -2.250 314 H ILE 44 H ILE 44 2.704 -3.913 -4.302 315 HA ILE 44 HA ILE 44 0.242 -3.328 -5.907 316 HB ILE 44 HB ILE 44 2.250 -5.603 -6.146 317 1HG1 ILE 44 1HG1 ILE 44 1.483 -3.413 -8.142 318 2HG1 ILE 44 2HG1 ILE 44 2.910 -3.321 -7.116 319 1HG2 ILE 44 1HG2 ILE 44 -0.355 -5.082 -7.669 320 2HG2 ILE 44 2HG2 ILE 44 0.807 -6.378 -8.025 321 3HG2 ILE 44 3HG2 ILE 44 -0.075 -6.396 -6.507 322 1HD1 ILE 44 1HD1 ILE 44 3.587 -4.086 -9.291 323 2HD1 ILE 44 2HD1 ILE 44 3.773 -5.433 -8.150 324 3HD1 ILE 44 3HD1 ILE 44 2.399 -5.396 -9.284 325 H VAL 45 H VAL 45 -1.432 -3.684 -4.694 326 HA VAL 45 HA VAL 45 -1.290 -5.562 -2.344 327 HB VAL 45 HB VAL 45 -3.064 -3.149 -2.647 328 1HG1 VAL 45 1HG1 VAL 45 -2.168 -4.878 -0.284 329 2HG1 VAL 45 2HG1 VAL 45 -3.171 -3.429 -0.139 330 3HG1 VAL 45 3HG1 VAL 45 -3.792 -4.839 -1.006 331 1HG2 VAL 45 1HG2 VAL 45 -1.545 -1.917 -1.131 332 2HG2 VAL 45 2HG2 VAL 45 -0.359 -3.230 -1.271 333 3HG2 VAL 45 3HG2 VAL 45 -0.783 -2.261 -2.685 334 H VAL 46 H VAL 46 -2.884 -7.153 -2.259 335 HA VAL 46 HA VAL 46 -5.022 -7.156 -4.373 336 HB VAL 46 HB VAL 46 -3.737 -9.531 -2.969 337 1HG1 VAL 46 1HG1 VAL 46 -5.553 -9.537 -5.410 338 2HG1 VAL 46 2HG1 VAL 46 -4.899 -10.939 -4.541 339 3HG1 VAL 46 3HG1 VAL 46 -6.093 -9.895 -3.762 340 1HG2 VAL 46 1HG2 VAL 46 -2.027 -8.597 -4.388 341 2HG2 VAL 46 2HG2 VAL 46 -2.631 -10.100 -5.081 342 3HG2 VAL 46 3HG2 VAL 46 -3.140 -8.540 -5.770 343 H TYR 47 H TYR 47 -7.038 -6.824 -3.395 344 HA TYR 47 HA TYR 47 -7.387 -7.675 -0.560 345 1HB TYR 47 1HB TYR 47 -8.259 -5.621 0.156 346 2HB TYR 47 2HB TYR 47 -6.709 -5.295 -0.560 347 HD1 TYR 47 HD1 TYR 47 -6.985 -4.766 -3.331 348 HD2 TYR 47 HD2 TYR 47 -9.884 -4.009 -0.227 349 HE1 TYR 47 HE1 TYR 47 -8.206 -3.256 -4.856 350 HE2 TYR 47 HE2 TYR 47 -11.027 -2.373 -1.706 351 HH TYR 47 HH TYR 47 -10.056 -1.890 -5.110 352 H ASN 48 H ASN 48 -9.392 -8.432 0.002 353 HA ASN 48 HA ASN 48 -11.172 -8.984 -2.260 354 1HB ASN 48 1HB ASN 48 -10.595 -10.746 -0.646 355 2HB ASN 48 2HB ASN 48 -11.342 -9.805 0.663 356 1HD2 ASN 48 1HD2 ASN 48 -12.123 -11.321 -2.566 357 2HD2 ASN 48 2HD2 ASN 48 -13.804 -11.545 -2.162 358 H ALA 49 H ALA 49 -12.535 -7.549 -2.903 359 HA ALA 49 HA ALA 49 -14.631 -6.354 -1.412 360 1HB ALA 49 1HB ALA 49 -13.930 -3.967 -1.631 361 2HB ALA 49 2HB ALA 49 -12.814 -4.838 -0.573 362 3HB ALA 49 3HB ALA 49 -12.355 -4.497 -2.255 363 H SER 50 H SER 50 -15.875 -4.813 -2.916 364 HA SER 50 HA SER 50 -16.023 -5.954 -5.570 365 1HB SER 50 1HB SER 50 -17.537 -3.570 -4.443 366 2HB SER 50 2HB SER 50 -18.003 -4.605 -5.810 367 HG SER 50 HG SER 50 -19.113 -5.314 -4.003 368 H SER 51 H SER 51 -13.544 -4.650 -5.188 369 HA SER 51 HA SER 51 -12.025 -3.236 -5.995 370 1HB SER 51 1HB SER 51 -13.911 -3.291 -8.381 371 2HB SER 51 2HB SER 51 -12.258 -2.653 -8.437 372 HG SER 51 HG SER 51 -12.638 -4.972 -9.020 373 H VAL 52 H VAL 52 -15.140 -1.691 -6.042 374 HA VAL 52 HA VAL 52 -14.203 0.964 -6.527 375 HB VAL 52 HB VAL 52 -16.439 1.702 -5.748 376 1HG1 VAL 52 1HG1 VAL 52 -16.096 0.903 -8.053 377 2HG1 VAL 52 2HG1 VAL 52 -16.560 -0.738 -7.559 378 3HG1 VAL 52 3HG1 VAL 52 -17.736 0.585 -7.463 379 1HG2 VAL 52 1HG2 VAL 52 -16.784 0.077 -3.881 380 2HG2 VAL 52 2HG2 VAL 52 -18.129 0.073 -5.031 381 3HG2 VAL 52 3HG2 VAL 52 -16.937 -1.237 -5.062 382 H THR 53 H THR 53 -12.730 -0.432 -4.281 383 HA THR 53 HA THR 53 -12.944 1.734 -2.295 384 HB THR 53 HB THR 53 -12.633 -0.761 -0.813 385 HG1 THR 53 HG1 THR 53 -14.990 -1.167 -1.173 386 1HG2 THR 53 1HG2 THR 53 -14.517 0.176 0.437 387 2HG2 THR 53 2HG2 THR 53 -14.839 1.340 -0.877 388 3HG2 THR 53 3HG2 THR 53 -13.344 1.453 0.072 389 HA PRO 54 HA PRO 54 -8.516 0.153 -2.851 390 1HB PRO 54 1HB PRO 54 -7.389 1.792 -4.684 391 2HB PRO 54 2HB PRO 54 -8.399 0.398 -5.179 392 1HG PRO 54 1HG PRO 54 -9.254 3.307 -4.917 393 2HG PRO 54 2HG PRO 54 -9.521 2.196 -6.299 394 1HD PRO 54 1HD PRO 54 -11.414 2.612 -4.344 395 2HD PRO 54 2HD PRO 54 -11.205 1.054 -5.175 396 H GLU 55 H GLU 55 -9.885 3.433 -2.653 397 HA GLU 55 HA GLU 55 -7.824 4.927 -1.531 398 1HB GLU 55 1HB GLU 55 -10.008 5.767 -2.299 399 2HB GLU 55 2HB GLU 55 -10.808 4.915 -0.989 400 1HG GLU 55 1HG GLU 55 -10.784 7.190 -0.413 401 2HG GLU 55 2HG GLU 55 -9.657 6.399 0.667 402 H SER 56 H SER 56 -9.626 2.270 0.038 403 HA SER 56 HA SER 56 -9.050 2.946 2.758 404 1HB SER 56 1HB SER 56 -9.235 0.093 1.848 405 2HB SER 56 2HB SER 56 -9.983 0.903 3.219 406 HG SER 56 HG SER 56 -10.875 0.702 0.563 407 H LEU 57 H LEU 57 -7.327 1.017 0.277 408 HA LEU 57 HA LEU 57 -5.280 0.066 2.148 409 1HB LEU 57 1HB LEU 57 -5.326 0.181 -0.882 410 2HB LEU 57 2HB LEU 57 -4.116 -0.651 0.088 411 HG LEU 57 HG LEU 57 -7.079 -1.374 -0.078 412 1HD1 LEU 57 1HD1 LEU 57 -6.259 -2.078 -2.112 413 2HD1 LEU 57 2HD1 LEU 57 -5.704 -3.471 -1.137 414 3HD1 LEU 57 3HD1 LEU 57 -4.593 -2.159 -1.546 415 1HD2 LEU 57 1HD2 LEU 57 -6.129 -1.996 2.116 416 2HD2 LEU 57 2HD2 LEU 57 -4.793 -2.856 1.331 417 3HD2 LEU 57 3HD2 LEU 57 -6.459 -3.434 1.139 418 H ARG 58 H ARG 58 -5.485 2.646 -0.378 419 HA ARG 58 HA ARG 58 -2.972 3.826 -0.138 420 1HB ARG 58 1HB ARG 58 -4.784 4.522 -1.691 421 2HB ARG 58 2HB ARG 58 -5.748 5.042 -0.345 422 1HG ARG 58 1HG ARG 58 -3.552 6.528 0.150 423 2HG ARG 58 2HG ARG 58 -3.381 6.381 -1.603 424 1HD ARG 58 1HD ARG 58 -5.470 7.443 -1.985 425 2HD ARG 58 2HD ARG 58 -6.006 7.182 -0.311 426 HE ARG 58 HE ARG 58 -3.798 8.766 0.044 427 1HH1 ARG 58 1HH1 ARG 58 -6.933 9.149 -1.523 428 2HH1 ARG 58 2HH1 ARG 58 -6.804 10.886 -1.532 429 1HH2 ARG 58 1HH2 ARG 58 -3.757 10.755 0.272 430 2HH2 ARG 58 2HH2 ARG 58 -4.930 11.871 -0.444 431 H LYS 59 H LYS 59 -5.908 4.521 1.864 432 HA LYS 59 HA LYS 59 -4.576 6.154 3.761 433 1HB LYS 59 1HB LYS 59 -7.240 4.854 3.446 434 2HB LYS 59 2HB LYS 59 -6.757 5.179 5.090 435 1HG LYS 59 1HG LYS 59 -8.006 7.065 4.099 436 2HG LYS 59 2HG LYS 59 -6.391 7.507 4.669 437 1HD LYS 59 1HD LYS 59 -5.568 7.376 2.280 438 2HD LYS 59 2HD LYS 59 -7.220 7.089 1.764 439 1HE LYS 59 1HE LYS 59 -6.290 9.480 3.430 440 2HE LYS 59 2HE LYS 59 -6.261 9.481 1.675 441 1HZ LYS 59 1HZ LYS 59 -8.578 9.209 1.584 442 2HZ LYS 59 2HZ LYS 59 -8.285 10.486 2.561 443 3HZ LYS 59 3HZ LYS 59 -8.746 9.032 3.215 444 H ALA 60 H ALA 60 -4.877 2.560 3.793 445 HA ALA 60 HA ALA 60 -3.784 2.329 6.477 446 1HB ALA 60 1HB ALA 60 -3.412 0.013 5.866 447 2HB ALA 60 2HB ALA 60 -5.021 0.510 5.301 448 3HB ALA 60 3HB ALA 60 -3.675 0.366 4.144 449 H ILE 61 H ILE 61 -2.320 2.660 3.228 450 HA ILE 61 HA ILE 61 0.379 2.441 4.199 451 HB ILE 61 HB ILE 61 -0.548 3.906 1.692 452 1HG1 ILE 61 1HG1 ILE 61 0.368 1.023 1.931 453 2HG1 ILE 61 2HG1 ILE 61 -1.275 1.536 1.709 454 1HG2 ILE 61 1HG2 ILE 61 1.901 3.183 1.045 455 2HG2 ILE 61 2HG2 ILE 61 1.640 4.589 2.048 456 3HG2 ILE 61 3HG2 ILE 61 2.139 3.061 2.787 457 1HD1 ILE 61 1HD1 ILE 61 -0.658 2.637 -0.450 458 2HD1 ILE 61 2HD1 ILE 61 0.925 1.834 -0.329 459 3HD1 ILE 61 3HD1 ILE 61 -0.548 0.866 -0.414 460 H GLU 62 H GLU 62 -1.603 5.411 3.467 461 HA GLU 62 HA GLU 62 0.217 7.304 4.462 462 1HB GLU 62 1HB GLU 62 -2.828 7.297 4.602 463 2HB GLU 62 2HB GLU 62 -1.773 8.666 4.993 464 1HG GLU 62 1HG GLU 62 -0.866 8.729 2.768 465 2HG GLU 62 2HG GLU 62 -1.846 7.325 2.291 466 H ALA 63 H ALA 63 -1.733 4.977 6.320 467 HA ALA 63 HA ALA 63 -1.195 6.348 8.845 468 1HB ALA 63 1HB ALA 63 -2.536 3.678 8.250 469 2HB ALA 63 2HB ALA 63 -2.562 4.536 9.803 470 3HB ALA 63 3HB ALA 63 -3.375 5.243 8.392 471 H VAL 64 H VAL 64 0.891 4.695 7.048 472 HA VAL 64 HA VAL 64 2.183 3.342 9.380 473 HB VAL 64 HB VAL 64 1.926 2.207 6.968 474 1HG1 VAL 64 1HG1 VAL 64 3.733 2.211 5.596 475 2HG1 VAL 64 2HG1 VAL 64 3.166 3.891 5.786 476 3HG1 VAL 64 3HG1 VAL 64 4.653 3.362 6.601 477 1HG2 VAL 64 1HG2 VAL 64 4.551 2.113 8.571 478 2HG2 VAL 64 2HG2 VAL 64 3.062 1.318 9.131 479 3HG2 VAL 64 3HG2 VAL 64 3.834 0.781 7.624 480 H SER 65 H SER 65 2.570 6.016 7.091 481 HA SER 65 HA SER 65 4.286 7.242 9.092 482 1HB SER 65 1HB SER 65 5.555 7.615 6.472 483 2HB SER 65 2HB SER 65 6.149 7.460 8.123 484 HG SER 65 HG SER 65 5.551 5.162 7.889 485 HA PRO 66 HA PRO 66 0.936 9.838 7.248 486 1HB PRO 66 1HB PRO 66 0.040 10.813 9.717 487 2HB PRO 66 2HB PRO 66 -0.610 9.391 8.848 488 1HG PRO 66 1HG PRO 66 1.473 9.447 11.053 489 2HG PRO 66 2HG PRO 66 0.055 8.356 10.886 490 1HD PRO 66 1HD PRO 66 2.463 7.449 10.126 491 2HD PRO 66 2HD PRO 66 1.097 7.168 9.087 492 H GLY 67 H GLY 67 1.071 11.935 6.766 493 1HA GLY 67 1HA GLY 67 1.820 14.159 6.774 494 2HA GLY 67 2HA GLY 67 2.833 13.812 8.200 495 H LEU 68 H LEU 68 4.008 11.431 6.761 496 HA LEU 68 HA LEU 68 6.051 12.826 5.090 497 1HB LEU 68 1HB LEU 68 6.786 11.433 6.956 498 2HB LEU 68 2HB LEU 68 5.874 10.064 6.332 499 HG LEU 68 HG LEU 68 7.310 10.056 4.285 500 1HD1 LEU 68 1HD1 LEU 68 8.914 12.137 5.823 501 2HD1 LEU 68 2HD1 LEU 68 8.096 12.379 4.258 502 3HD1 LEU 68 3HD1 LEU 68 9.471 11.271 4.373 503 1HD2 LEU 68 1HD2 LEU 68 8.737 9.844 6.954 504 2HD2 LEU 68 2HD2 LEU 68 9.250 9.079 5.430 505 3HD2 LEU 68 3HD2 LEU 68 7.734 8.582 6.199 506 H TYR 69 H TYR 69 3.770 10.089 4.962 507 HA TYR 69 HA TYR 69 4.566 9.283 2.340 508 1HB TYR 69 1HB TYR 69 2.450 8.396 4.313 509 2HB TYR 69 2HB TYR 69 2.449 7.809 2.671 510 HD1 TYR 69 HD1 TYR 69 5.833 8.385 3.997 511 HD2 TYR 69 HD2 TYR 69 2.611 5.546 3.637 512 HE1 TYR 69 HE1 TYR 69 7.391 6.543 4.457 513 HE2 TYR 69 HE2 TYR 69 4.177 3.708 3.861 514 HH TYR 69 HH TYR 69 7.589 4.292 4.757 515 H ARG 70 H ARG 70 4.305 10.664 0.729 516 HA ARG 70 HA ARG 70 1.775 11.792 -0.123 517 1HB ARG 70 1HB ARG 70 4.086 12.600 -0.633 518 2HB ARG 70 2HB ARG 70 4.383 11.158 -1.474 519 1HG ARG 70 1HG ARG 70 3.958 12.939 -2.937 520 2HG ARG 70 2HG ARG 70 2.746 11.693 -3.214 521 1HD ARG 70 1HD ARG 70 1.168 13.209 -1.892 522 2HD ARG 70 2HD ARG 70 2.391 14.466 -2.086 523 HE ARG 70 HE ARG 70 0.446 13.980 -3.906 524 1HH1 ARG 70 1HH1 ARG 70 3.912 13.328 -4.499 525 2HH1 ARG 70 2HH1 ARG 70 3.746 13.512 -6.170 526 1HH2 ARG 70 1HH2 ARG 70 0.348 14.275 -6.108 527 2HH2 ARG 70 2HH2 ARG 70 1.804 14.161 -7.051 528 H VAL 71 H VAL 71 0.537 9.688 0.209 529 HA VAL 71 HA VAL 71 1.110 7.569 -1.758 530 HB VAL 71 HB VAL 71 -1.316 7.513 0.028 531 1HG1 VAL 71 1HG1 VAL 71 0.412 5.312 -1.221 532 2HG1 VAL 71 2HG1 VAL 71 -1.040 5.074 -0.228 533 3HG1 VAL 71 3HG1 VAL 71 -1.178 5.811 -1.823 534 1HG2 VAL 71 1HG2 VAL 71 1.541 6.640 0.638 535 2HG2 VAL 71 2HG2 VAL 71 0.618 7.873 1.480 536 3HG2 VAL 71 3HG2 VAL 71 0.113 6.190 1.600 537 H SER 72 H SER 72 0.347 7.222 -3.604 538 HA SER 72 HA SER 72 -2.266 8.380 -4.483 539 1HB SER 72 1HB SER 72 0.421 8.453 -5.924 540 2HB SER 72 2HB SER 72 -1.130 9.002 -6.565 541 HG SER 72 HG SER 72 0.104 9.977 -4.220 542 H ILE 73 H ILE 73 -3.079 7.212 -6.430 543 HA ILE 73 HA ILE 73 -2.253 4.319 -6.615 544 HB ILE 73 HB ILE 73 -4.773 5.803 -7.529 545 1HG1 ILE 73 1HG1 ILE 73 -4.442 3.758 -5.308 546 2HG1 ILE 73 2HG1 ILE 73 -4.602 5.489 -5.028 547 1HG2 ILE 73 1HG2 ILE 73 -4.200 2.800 -7.593 548 2HG2 ILE 73 2HG2 ILE 73 -5.672 3.611 -8.157 549 3HG2 ILE 73 3HG2 ILE 73 -4.166 3.871 -9.014 550 1HD1 ILE 73 1HD1 ILE 73 -6.860 5.443 -6.083 551 2HD1 ILE 73 2HD1 ILE 73 -6.741 3.668 -6.177 552 3HD1 ILE 73 3HD1 ILE 73 -6.723 4.476 -4.602 553 H THR 74 H THR 74 -1.198 3.688 -8.395 554 HA THR 74 HA THR 74 -0.790 5.737 -10.527 555 HB THR 74 HB THR 74 1.248 5.258 -9.488 556 HG1 THR 74 HG1 THR 74 1.265 5.408 -11.752 557 1HG2 THR 74 1HG2 THR 74 0.885 3.086 -8.449 558 2HG2 THR 74 2HG2 THR 74 2.341 3.079 -9.457 559 3HG2 THR 74 3HG2 THR 74 0.866 2.299 -10.052 560 H SER 75 H SER 75 -2.228 5.533 -12.022 561 HA SER 75 HA SER 75 -2.094 3.399 -13.899 562 1HB SER 75 1HB SER 75 -3.574 2.275 -12.202 563 2HB SER 75 2HB SER 75 -4.751 3.577 -12.428 564 HG SER 75 HG SER 75 -5.081 1.652 -13.752 565 H GLU 76 H GLU 76 -4.011 3.771 -15.517 566 HA GLU 76 HA GLU 76 -3.502 6.276 -16.760 567 1HB GLU 76 1HB GLU 76 -4.013 3.749 -17.510 568 2HB GLU 76 2HB GLU 76 -5.635 4.389 -17.725 569 1HG GLU 76 1HG GLU 76 -4.795 6.013 -19.353 570 2HG GLU 76 2HG GLU 76 -3.117 5.632 -18.935 571 H VAL 77 H VAL 77 -4.876 6.781 -14.343 572 HA VAL 77 HA VAL 77 -7.699 7.396 -14.953 573 HB VAL 77 HB VAL 77 -6.361 7.996 -12.297 574 1HG1 VAL 77 1HG1 VAL 77 -8.639 7.596 -11.426 575 2HG1 VAL 77 2HG1 VAL 77 -8.708 8.837 -12.679 576 3HG1 VAL 77 3HG1 VAL 77 -9.215 7.181 -13.054 577 1HG2 VAL 77 1HG2 VAL 77 -5.790 5.673 -12.666 578 2HG2 VAL 77 2HG2 VAL 77 -7.115 5.754 -11.512 579 3HG2 VAL 77 3HG2 VAL 77 -7.447 5.299 -13.198 Start of MODEL 23 1 1H ASN 1 1HT ASN 1 -13.532 -13.739 -4.550 2 HA ASN 1 HA ASN 1 -11.659 -13.993 -6.700 3 1HB ASN 1 1HB ASN 1 -14.044 -13.827 -7.825 4 2HB ASN 1 2HB ASN 1 -13.919 -12.116 -7.414 5 1HD2 ASN 1 1HD2 ASN 1 -11.258 -11.372 -8.054 6 2HD2 ASN 1 2HD2 ASN 1 -10.924 -11.889 -9.684 7 H ASP 2 H ASP 2 -10.066 -12.627 -6.263 8 HA ASP 2 HA ASP 2 -10.351 -10.475 -4.363 9 1HB ASP 2 1HB ASP 2 -7.904 -10.272 -4.697 10 2HB ASP 2 2HB ASP 2 -8.424 -11.892 -4.255 11 H SER 3 H SER 3 -9.244 -8.440 -4.795 12 HA SER 3 HA SER 3 -9.546 -7.277 -7.504 13 1HB SER 3 1HB SER 3 -11.306 -6.318 -6.052 14 2HB SER 3 2HB SER 3 -10.120 -5.990 -4.791 15 HG SER 3 HG SER 3 -10.494 -4.125 -5.946 16 H THR 4 H THR 4 -8.062 -5.260 -7.505 17 HA THR 4 HA THR 4 -5.634 -5.493 -5.897 18 HB THR 4 HB THR 4 -5.714 -6.573 -8.705 19 HG1 THR 4 HG1 THR 4 -5.768 -7.777 -6.649 20 1HG2 THR 4 1HG2 THR 4 -3.848 -4.951 -8.845 21 2HG2 THR 4 2HG2 THR 4 -3.235 -6.606 -8.717 22 3HG2 THR 4 3HG2 THR 4 -3.203 -5.551 -7.291 23 H ALA 5 H ALA 5 -4.253 -3.816 -6.084 24 HA ALA 5 HA ALA 5 -4.749 -1.646 -7.968 25 1HB ALA 5 1HB ALA 5 -5.266 -1.331 -4.987 26 2HB ALA 5 2HB ALA 5 -5.126 0.034 -6.112 27 3HB ALA 5 3HB ALA 5 -6.448 -1.145 -6.301 28 H THR 6 H THR 6 -3.216 0.112 -7.768 29 HA THR 6 HA THR 6 -0.625 -0.635 -6.497 30 HB THR 6 HB THR 6 -0.956 0.936 -9.060 31 HG1 THR 6 HG1 THR 6 -0.443 -0.967 -10.087 32 1HG2 THR 6 1HG2 THR 6 1.466 0.336 -9.313 33 2HG2 THR 6 2HG2 THR 6 1.415 -0.400 -7.687 34 3HG2 THR 6 3HG2 THR 6 1.147 1.342 -7.893 35 H PHE 7 H PHE 7 0.408 0.851 -5.421 36 HA PHE 7 HA PHE 7 -0.575 3.647 -5.334 37 1HB PHE 7 1HB PHE 7 0.088 2.127 -2.807 38 2HB PHE 7 2HB PHE 7 -0.687 3.698 -2.993 39 HD1 PHE 7 HD1 PHE 7 -3.036 3.962 -3.373 40 HD2 PHE 7 HD2 PHE 7 -1.349 -0.028 -3.371 41 HE1 PHE 7 HE1 PHE 7 -5.301 2.963 -3.486 42 HE2 PHE 7 HE2 PHE 7 -3.574 -0.968 -3.497 43 HZ PHE 7 HZ PHE 7 -5.580 0.512 -3.538 44 H ILE 8 H ILE 8 0.993 5.174 -4.920 45 HA ILE 8 HA ILE 8 3.779 4.244 -4.534 46 HB ILE 8 HB ILE 8 3.187 4.562 -6.933 47 1HG1 ILE 8 1HG1 ILE 8 5.159 6.723 -6.072 48 2HG1 ILE 8 2HG1 ILE 8 5.454 5.024 -5.741 49 1HG2 ILE 8 1HG2 ILE 8 2.863 7.520 -6.322 50 2HG2 ILE 8 2HG2 ILE 8 2.858 6.760 -7.923 51 3HG2 ILE 8 3HG2 ILE 8 1.559 6.409 -6.781 52 1HD1 ILE 8 1HD1 ILE 8 6.590 5.639 -7.782 53 2HD1 ILE 8 2HD1 ILE 8 5.341 4.415 -8.072 54 3HD1 ILE 8 3HD1 ILE 8 5.046 6.116 -8.532 55 H ILE 9 H ILE 9 5.005 5.305 -3.256 56 HA ILE 9 HA ILE 9 3.788 7.525 -1.737 57 HB ILE 9 HB ILE 9 5.916 5.550 -0.800 58 1HG1 ILE 9 1HG1 ILE 9 4.230 4.431 0.580 59 2HG1 ILE 9 2HG1 ILE 9 2.941 5.173 -0.282 60 1HG2 ILE 9 1HG2 ILE 9 5.708 7.716 0.411 61 2HG2 ILE 9 2HG2 ILE 9 3.994 7.387 0.698 62 3HG2 ILE 9 3HG2 ILE 9 5.240 6.353 1.421 63 1HD1 ILE 9 1HD1 ILE 9 5.075 3.280 -1.344 64 2HD1 ILE 9 2HD1 ILE 9 3.487 2.786 -0.750 65 3HD1 ILE 9 3HD1 ILE 9 3.584 3.752 -2.228 66 H ASP 10 H ASP 10 4.798 9.385 -2.704 67 HA ASP 10 HA ASP 10 7.572 9.321 -3.485 68 1HB ASP 10 1HB ASP 10 5.560 10.781 -4.355 69 2HB ASP 10 2HB ASP 10 6.097 11.919 -3.106 70 H GLY 11 H GLY 11 7.345 8.631 -0.789 71 1HA GLY 11 1HA GLY 11 9.290 10.431 0.519 72 2HA GLY 11 2HA GLY 11 7.710 10.388 1.270 73 H MET 12 H MET 12 8.222 7.216 0.103 74 HA MET 12 HA MET 12 8.634 6.365 2.867 75 1HB MET 12 1HB MET 12 8.130 4.194 2.196 76 2HB MET 12 2HB MET 12 7.230 5.121 1.140 77 1HG MET 12 1HG MET 12 9.207 4.892 -0.527 78 2HG MET 12 2HG MET 12 9.776 3.615 0.527 79 1HE MET 12 1HE MET 12 8.644 1.228 0.754 80 2HE MET 12 2HE MET 12 7.935 0.621 -0.752 81 3HE MET 12 3HE MET 12 9.524 1.386 -0.801 82 H HIS 13 H HIS 13 10.439 5.596 3.840 83 HA HIS 13 HA HIS 13 12.990 6.418 3.156 84 1HB HIS 13 1HB HIS 13 12.249 4.077 4.908 85 2HB HIS 13 2HB HIS 13 13.753 4.992 4.995 86 HD1 HIS 13 HD1 HIS 13 12.510 4.880 7.653 87 HD2 HIS 13 HD2 HIS 13 11.253 7.681 4.779 88 HE1 HIS 13 HE1 HIS 13 11.328 6.748 8.919 89 H CYS 14 H CYS 14 11.731 4.379 1.137 90 HA CYS 14 HA CYS 14 12.476 3.130 -0.576 91 1HB CYS 14 1HB CYS 14 15.022 4.381 0.445 92 2HB CYS 14 2HB CYS 14 15.083 3.241 -0.895 93 HG CYS 14 HG CYS 14 14.970 5.939 -1.538 94 H LYS 15 H LYS 15 14.416 2.235 2.282 95 HA LYS 15 HA LYS 15 14.201 -0.643 1.411 96 1HB LYS 15 1HB LYS 15 16.384 0.944 2.698 97 2HB LYS 15 2HB LYS 15 16.126 -0.693 3.322 98 1HG LYS 15 1HG LYS 15 17.809 -0.706 1.597 99 2HG LYS 15 2HG LYS 15 16.425 -1.674 1.120 100 1HD LYS 15 1HD LYS 15 16.346 1.151 0.157 101 2HD LYS 15 2HD LYS 15 17.715 0.227 -0.425 102 1HE LYS 15 1HE LYS 15 16.370 -1.421 -1.509 103 2HE LYS 15 2HE LYS 15 14.920 -0.940 -0.654 104 1HZ LYS 15 1HZ LYS 15 16.246 0.814 -2.644 105 2HZ LYS 15 2HZ LYS 15 14.761 1.023 -1.878 106 3HZ LYS 15 3HZ LYS 15 14.965 -0.186 -2.914 107 H SER 16 H SER 16 14.714 0.547 4.801 108 HA SER 16 HA SER 16 13.020 -1.486 5.815 109 1HB SER 16 1HB SER 16 13.026 -0.029 7.911 110 2HB SER 16 2HB SER 16 14.601 -0.535 7.271 111 HG SER 16 HG SER 16 14.606 1.690 7.785 112 H CYS 17 H CYS 17 11.851 1.634 4.514 113 HA CYS 17 HA CYS 17 9.290 1.539 5.767 114 1HB CYS 17 1HB CYS 17 10.622 2.917 3.434 115 2HB CYS 17 2HB CYS 17 8.910 2.711 3.322 116 HG CYS 17 HG CYS 17 8.473 3.488 5.964 117 H VAL 18 H VAL 18 10.561 -0.182 2.907 118 HA VAL 18 HA VAL 18 8.220 -1.129 1.772 119 HB VAL 18 HB VAL 18 10.980 -2.394 2.178 120 1HG1 VAL 18 1HG1 VAL 18 10.296 -3.821 0.084 121 2HG1 VAL 18 2HG1 VAL 18 9.946 -4.353 1.736 122 3HG1 VAL 18 3HG1 VAL 18 8.671 -3.627 0.771 123 1HG2 VAL 18 1HG2 VAL 18 11.506 -1.703 -0.051 124 2HG2 VAL 18 2HG2 VAL 18 9.866 -1.097 -0.326 125 3HG2 VAL 18 3HG2 VAL 18 10.927 -0.304 0.846 126 H SER 19 H SER 19 10.152 -2.647 4.367 127 HA SER 19 HA SER 19 8.523 -4.982 4.717 128 1HB SER 19 1HB SER 19 10.900 -4.486 5.577 129 2HB SER 19 2HB SER 19 10.180 -3.449 6.807 130 HG SER 19 HG SER 19 9.004 -5.374 7.520 131 H ASN 20 H ASN 20 8.295 -1.723 6.223 132 HA ASN 20 HA ASN 20 6.169 -2.400 8.055 133 1HB ASN 20 1HB ASN 20 6.803 0.228 6.717 134 2HB ASN 20 2HB ASN 20 5.742 0.053 8.054 135 1HD2 ASN 20 1HD2 ASN 20 8.386 1.425 7.535 136 2HD2 ASN 20 2HD2 ASN 20 9.428 0.888 8.830 137 H ILE 21 H ILE 21 6.195 -1.174 4.652 138 HA ILE 21 HA ILE 21 3.311 -0.735 4.690 139 HB ILE 21 HB ILE 21 4.691 -1.090 2.059 140 1HG1 ILE 21 1HG1 ILE 21 5.664 0.968 4.050 141 2HG1 ILE 21 2HG1 ILE 21 6.438 0.076 2.765 142 1HG2 ILE 21 1HG2 ILE 21 2.682 0.921 3.131 143 2HG2 ILE 21 2HG2 ILE 21 3.146 0.693 1.424 144 3HG2 ILE 21 3HG2 ILE 21 2.293 -0.583 2.275 145 1HD1 ILE 21 1HD1 ILE 21 5.498 1.397 0.994 146 2HD1 ILE 21 2HD1 ILE 21 4.639 2.410 2.168 147 3HD1 ILE 21 3HD1 ILE 21 6.412 2.385 2.141 148 H GLU 22 H GLU 22 5.391 -3.318 3.372 149 HA GLU 22 HA GLU 22 3.405 -5.094 2.457 150 1HB GLU 22 1HB GLU 22 6.141 -5.551 3.714 151 2HB GLU 22 2HB GLU 22 5.174 -6.826 3.018 152 1HG GLU 22 1HG GLU 22 5.111 -5.077 0.922 153 2HG GLU 22 2HG GLU 22 6.600 -4.574 1.660 154 H SER 23 H SER 23 4.907 -5.007 5.765 155 HA SER 23 HA SER 23 3.096 -6.886 6.881 156 1HB SER 23 1HB SER 23 5.308 -6.189 7.822 157 2HB SER 23 2HB SER 23 4.619 -4.606 8.229 158 HG SER 23 HG SER 23 4.575 -6.000 10.037 159 H THR 24 H THR 24 2.836 -3.341 7.056 160 HA THR 24 HA THR 24 0.599 -3.376 8.852 161 HB THR 24 HB THR 24 1.623 -1.057 7.117 162 HG1 THR 24 HG1 THR 24 3.184 -1.787 8.422 163 1HG2 THR 24 1HG2 THR 24 -0.615 -0.564 8.032 164 2HG2 THR 24 2HG2 THR 24 0.622 0.347 8.908 165 3HG2 THR 24 3HG2 THR 24 -0.092 -1.102 9.644 166 H LEU 25 H LEU 25 0.806 -3.180 5.299 167 HA LEU 25 HA LEU 25 -2.119 -2.998 5.060 168 1HB LEU 25 1HB LEU 25 0.023 -3.746 3.075 169 2HB LEU 25 2HB LEU 25 -1.700 -3.622 2.726 170 HG LEU 25 HG LEU 25 0.286 -1.405 3.297 171 1HD1 LEU 25 1HD1 LEU 25 -0.200 -2.061 0.983 172 2HD1 LEU 25 2HD1 LEU 25 -0.910 -0.477 1.296 173 3HD1 LEU 25 3HD1 LEU 25 -1.955 -1.892 1.299 174 1HD2 LEU 25 1HD2 LEU 25 -1.603 -0.859 4.836 175 2HD2 LEU 25 2HD2 LEU 25 -2.717 -1.014 3.444 176 3HD2 LEU 25 3HD2 LEU 25 -1.481 0.251 3.480 177 H SER 26 H SER 26 0.312 -5.749 4.886 178 HA SER 26 HA SER 26 -1.674 -7.603 4.005 179 1HB SER 26 1HB SER 26 0.748 -7.869 3.677 180 2HB SER 26 2HB SER 26 0.963 -8.151 5.386 181 HG SER 26 HG SER 26 -0.654 -9.886 5.051 182 H ALA 27 H ALA 27 -2.029 -6.159 6.768 183 HA ALA 27 HA ALA 27 -2.974 -8.510 8.362 184 1HB ALA 27 1HB ALA 27 -1.166 -7.161 9.437 185 2HB ALA 27 2HB ALA 27 -2.162 -5.702 9.266 186 3HB ALA 27 3HB ALA 27 -2.701 -7.025 10.322 187 H LEU 28 H LEU 28 -4.101 -6.117 6.237 188 HA LEU 28 HA LEU 28 -6.197 -5.019 7.855 189 1HB LEU 28 1HB LEU 28 -5.713 -5.017 4.853 190 2HB LEU 28 2HB LEU 28 -7.030 -4.154 5.637 191 HG LEU 28 HG LEU 28 -4.142 -3.654 6.442 192 1HD1 LEU 28 1HD1 LEU 28 -4.096 -1.776 4.948 193 2HD1 LEU 28 2HD1 LEU 28 -5.731 -2.078 4.370 194 3HD1 LEU 28 3HD1 LEU 28 -4.419 -3.221 3.973 195 1HD2 LEU 28 1HD2 LEU 28 -5.071 -1.488 7.144 196 2HD2 LEU 28 2HD2 LEU 28 -5.865 -2.829 7.989 197 3HD2 LEU 28 3HD2 LEU 28 -6.703 -2.025 6.639 198 H GLN 29 H GLN 29 -8.311 -5.509 8.023 199 HA GLN 29 HA GLN 29 -9.058 -8.264 7.606 200 1HB GLN 29 1HB GLN 29 -9.484 -6.885 9.659 201 2HB GLN 29 2HB GLN 29 -10.716 -5.983 8.764 202 1HG GLN 29 1HG GLN 29 -12.039 -8.035 8.444 203 2HG GLN 29 2HG GLN 29 -10.745 -9.017 9.145 204 1HE2 GLN 29 1HE2 GLN 29 -10.057 -8.038 11.517 205 2HE2 GLN 29 2HE2 GLN 29 -11.499 -7.770 12.506 206 H TYR 30 H TYR 30 -8.766 -8.002 5.352 207 HA TYR 30 HA TYR 30 -10.872 -8.364 3.657 208 1HB TYR 30 1HB TYR 30 -10.820 -6.254 2.269 209 2HB TYR 30 2HB TYR 30 -11.800 -6.270 3.713 210 HD1 TYR 30 HD1 TYR 30 -8.189 -5.225 2.844 211 HD2 TYR 30 HD2 TYR 30 -11.865 -4.327 4.937 212 HE1 TYR 30 HE1 TYR 30 -7.385 -2.982 3.309 213 HE2 TYR 30 HE2 TYR 30 -11.008 -2.064 5.455 214 HH TYR 30 HH TYR 30 -7.862 -0.895 4.218 215 H VAL 31 H VAL 31 -7.453 -7.489 4.081 216 HA VAL 31 HA VAL 31 -7.069 -7.740 1.175 217 HB VAL 31 HB VAL 31 -5.844 -5.931 2.430 218 1HG1 VAL 31 1HG1 VAL 31 -3.783 -6.429 3.307 219 2HG1 VAL 31 2HG1 VAL 31 -5.116 -7.090 4.298 220 3HG1 VAL 31 3HG1 VAL 31 -4.092 -8.185 3.301 221 1HG2 VAL 31 1HG2 VAL 31 -4.073 -7.866 0.830 222 2HG2 VAL 31 2HG2 VAL 31 -5.179 -6.681 0.095 223 3HG2 VAL 31 3HG2 VAL 31 -3.807 -6.141 1.057 224 H SER 32 H SER 32 -5.912 -9.395 0.161 225 HA SER 32 HA SER 32 -5.632 -11.887 1.819 226 1HB SER 32 1HB SER 32 -7.286 -11.466 -0.283 227 2HB SER 32 2HB SER 32 -5.831 -11.993 -1.157 228 HG SER 32 HG SER 32 -7.077 -13.787 -0.518 229 H SER 33 H SER 33 -3.904 -9.654 -0.234 230 HA SER 33 HA SER 33 -1.313 -10.852 0.189 231 1HB SER 33 1HB SER 33 -2.795 -11.382 -2.353 232 2HB SER 33 2HB SER 33 -1.064 -11.182 -2.436 233 HG SER 33 HG SER 33 -2.360 -12.911 -0.581 234 H ILE 34 H ILE 34 0.287 -9.843 -1.298 235 HA ILE 34 HA ILE 34 0.087 -7.170 -2.275 236 HB ILE 34 HB ILE 34 -0.433 -6.672 0.096 237 1HG1 ILE 34 1HG1 ILE 34 2.419 -5.753 -0.403 238 2HG1 ILE 34 2HG1 ILE 34 1.037 -5.137 -1.321 239 1HG2 ILE 34 1HG2 ILE 34 1.242 -7.075 1.888 240 2HG2 ILE 34 2HG2 ILE 34 0.627 -8.585 1.230 241 3HG2 ILE 34 3HG2 ILE 34 2.238 -7.994 0.765 242 1HD1 ILE 34 1HD1 ILE 34 1.563 -3.627 0.509 243 2HD1 ILE 34 2HD1 ILE 34 -0.026 -4.386 0.783 244 3HD1 ILE 34 3HD1 ILE 34 1.389 -4.924 1.695 245 H VAL 35 H VAL 35 2.044 -6.412 -2.996 246 HA VAL 35 HA VAL 35 4.597 -7.673 -2.235 247 HB VAL 35 HB VAL 35 3.581 -7.462 -5.102 248 1HG1 VAL 35 1HG1 VAL 35 5.902 -8.004 -5.878 249 2HG1 VAL 35 2HG1 VAL 35 5.766 -6.383 -5.214 250 3HG1 VAL 35 3HG1 VAL 35 6.499 -7.677 -4.238 251 1HG2 VAL 35 1HG2 VAL 35 4.629 -9.808 -5.168 252 2HG2 VAL 35 2HG2 VAL 35 4.979 -9.598 -3.428 253 3HG2 VAL 35 3HG2 VAL 35 3.294 -9.668 -4.019 254 H VAL 36 H VAL 36 5.981 -6.111 -1.821 255 HA VAL 36 HA VAL 36 5.535 -3.373 -3.062 256 HB VAL 36 HB VAL 36 7.050 -4.247 -0.609 257 1HG1 VAL 36 1HG1 VAL 36 7.311 -1.568 -2.028 258 2HG1 VAL 36 2HG1 VAL 36 7.706 -1.854 -0.326 259 3HG1 VAL 36 3HG1 VAL 36 8.611 -2.709 -1.581 260 1HG2 VAL 36 1HG2 VAL 36 5.694 -2.587 0.484 261 2HG2 VAL 36 2HG2 VAL 36 5.150 -1.934 -1.074 262 3HG2 VAL 36 3HG2 VAL 36 4.576 -3.531 -0.549 263 H SER 37 H SER 37 7.044 -2.344 -4.290 264 HA SER 37 HA SER 37 9.214 -4.024 -5.414 265 1HB SER 37 1HB SER 37 8.052 -2.118 -6.772 266 2HB SER 37 2HB SER 37 9.023 -1.078 -5.720 267 HG SER 37 HG SER 37 9.927 -2.881 -7.677 268 H LEU 38 H LEU 38 10.597 -4.484 -3.833 269 HA LEU 38 HA LEU 38 11.808 -2.788 -1.968 270 1HB LEU 38 1HB LEU 38 12.408 -5.383 -3.100 271 2HB LEU 38 2HB LEU 38 13.883 -4.413 -3.140 272 HG LEU 38 HG LEU 38 12.178 -4.860 -0.649 273 1HD1 LEU 38 1HD1 LEU 38 14.782 -6.203 -1.490 274 2HD1 LEU 38 2HD1 LEU 38 13.177 -6.966 -1.439 275 3HD1 LEU 38 3HD1 LEU 38 13.943 -6.425 0.063 276 1HD2 LEU 38 1HD2 LEU 38 13.534 -2.787 -0.496 277 2HD2 LEU 38 2HD2 LEU 38 14.988 -3.694 -0.958 278 3HD2 LEU 38 3HD2 LEU 38 14.170 -4.030 0.584 279 H GLU 39 H GLU 39 12.185 -2.604 -5.430 280 HA GLU 39 HA GLU 39 14.521 -0.818 -5.213 281 1HB GLU 39 1HB GLU 39 12.957 -1.856 -7.598 282 2HB GLU 39 2HB GLU 39 14.333 -0.747 -7.711 283 1HG GLU 39 1HG GLU 39 15.811 -2.394 -6.646 284 2HG GLU 39 2HG GLU 39 14.469 -3.529 -6.457 285 H ASN 40 H ASN 40 11.067 -0.641 -6.093 286 HA ASN 40 HA ASN 40 11.323 2.267 -6.713 287 1HB ASN 40 1HB ASN 40 9.367 0.131 -7.572 288 2HB ASN 40 2HB ASN 40 8.892 1.806 -7.612 289 1HD2 ASN 40 1HD2 ASN 40 11.480 -0.442 -8.657 290 2HD2 ASN 40 2HD2 ASN 40 12.067 0.622 -9.911 291 H ARG 41 H ARG 41 9.611 3.765 -5.946 292 HA ARG 41 HA ARG 41 9.063 3.243 -3.129 293 1HB ARG 41 1HB ARG 41 8.320 5.744 -4.692 294 2HB ARG 41 2HB ARG 41 8.412 5.498 -2.955 295 1HG ARG 41 1HG ARG 41 10.362 6.417 -2.974 296 2HG ARG 41 2HG ARG 41 10.901 4.804 -3.439 297 1HD ARG 41 1HD ARG 41 11.864 6.059 -5.005 298 2HD ARG 41 2HD ARG 41 10.400 5.635 -5.888 299 HE ARG 41 HE ARG 41 9.847 8.064 -4.556 300 1HH1 ARG 41 1HH1 ARG 41 12.106 7.058 -7.084 301 2HH1 ARG 41 2HH1 ARG 41 12.136 8.648 -7.789 302 1HH2 ARG 41 1HH2 ARG 41 9.831 10.047 -5.600 303 2HH2 ARG 41 2HH2 ARG 41 10.921 10.343 -6.904 304 H SER 42 H SER 42 7.518 1.389 -4.685 305 HA SER 42 HA SER 42 4.754 2.269 -4.123 306 1HB SER 42 1HB SER 42 4.113 1.272 -6.384 307 2HB SER 42 2HB SER 42 4.791 2.886 -6.334 308 HG SER 42 HG SER 42 5.645 1.498 -7.995 309 H ALA 43 H ALA 43 3.151 0.710 -4.183 310 HA ALA 43 HA ALA 43 3.965 -2.108 -3.556 311 1HB ALA 43 1HB ALA 43 2.305 -2.034 -1.751 312 2HB ALA 43 2HB ALA 43 3.397 -0.654 -1.510 313 3HB ALA 43 3HB ALA 43 1.796 -0.395 -2.208 314 H ILE 44 H ILE 44 2.716 -3.642 -4.449 315 HA ILE 44 HA ILE 44 0.214 -2.903 -5.931 316 HB ILE 44 HB ILE 44 2.191 -5.162 -6.446 317 1HG1 ILE 44 1HG1 ILE 44 1.362 -2.811 -8.221 318 2HG1 ILE 44 2HG1 ILE 44 2.841 -2.831 -7.265 319 1HG2 ILE 44 1HG2 ILE 44 0.664 -5.781 -8.313 320 2HG2 ILE 44 2HG2 ILE 44 -0.158 -5.902 -6.767 321 3HG2 ILE 44 3HG2 ILE 44 -0.466 -4.501 -7.816 322 1HD1 ILE 44 1HD1 ILE 44 2.189 -4.689 -9.580 323 2HD1 ILE 44 2HD1 ILE 44 3.405 -3.406 -9.519 324 3HD1 ILE 44 3HD1 ILE 44 3.609 -4.859 -8.516 325 H VAL 45 H VAL 45 -1.520 -3.561 -4.864 326 HA VAL 45 HA VAL 45 -1.199 -5.487 -2.577 327 HB VAL 45 HB VAL 45 -3.008 -3.066 -2.722 328 1HG1 VAL 45 1HG1 VAL 45 -2.111 -4.889 -0.420 329 2HG1 VAL 45 2HG1 VAL 45 -3.063 -3.411 -0.199 330 3HG1 VAL 45 3HG1 VAL 45 -3.752 -4.768 -1.090 331 1HG2 VAL 45 1HG2 VAL 45 -1.489 -1.891 -1.204 332 2HG2 VAL 45 2HG2 VAL 45 -0.304 -3.210 -1.347 333 3HG2 VAL 45 3HG2 VAL 45 -0.718 -2.208 -2.748 334 H VAL 46 H VAL 46 -2.803 -7.014 -2.268 335 HA VAL 46 HA VAL 46 -4.857 -7.241 -4.425 336 HB VAL 46 HB VAL 46 -3.188 -9.397 -3.099 337 1HG1 VAL 46 1HG1 VAL 46 -4.926 -9.647 -5.571 338 2HG1 VAL 46 2HG1 VAL 46 -3.948 -10.919 -4.779 339 3HG1 VAL 46 3HG1 VAL 46 -5.350 -10.243 -3.947 340 1HG2 VAL 46 1HG2 VAL 46 -1.972 -9.631 -5.249 341 2HG2 VAL 46 2HG2 VAL 46 -2.735 -8.132 -5.820 342 3HG2 VAL 46 3HG2 VAL 46 -1.645 -8.115 -4.420 343 H TYR 47 H TYR 47 -6.779 -6.877 -3.451 344 HA TYR 47 HA TYR 47 -7.250 -7.867 -0.682 345 1HB TYR 47 1HB TYR 47 -8.413 -5.841 -0.134 346 2HB TYR 47 2HB TYR 47 -6.829 -5.430 -0.732 347 HD1 TYR 47 HD1 TYR 47 -6.567 -4.756 -3.222 348 HD2 TYR 47 HD2 TYR 47 -10.338 -4.784 -1.143 349 HE1 TYR 47 HE1 TYR 47 -7.484 -3.202 -4.899 350 HE2 TYR 47 HE2 TYR 47 -11.287 -3.253 -2.870 351 HH TYR 47 HH TYR 47 -9.320 -2.064 -5.617 352 H ASN 48 H ASN 48 -9.382 -8.508 -0.075 353 HA ASN 48 HA ASN 48 -10.704 -9.723 -2.438 354 1HB ASN 48 1HB ASN 48 -9.848 -11.196 -0.652 355 2HB ASN 48 2HB ASN 48 -10.871 -10.386 0.536 356 1HD2 ASN 48 1HD2 ASN 48 -13.302 -10.547 0.164 357 2HD2 ASN 48 2HD2 ASN 48 -13.859 -12.063 -0.571 358 H ALA 49 H ALA 49 -12.036 -8.135 -3.251 359 HA ALA 49 HA ALA 49 -14.531 -7.614 -1.796 360 1HB ALA 49 1HB ALA 49 -13.066 -5.913 -0.806 361 2HB ALA 49 2HB ALA 49 -12.514 -5.417 -2.425 362 3HB ALA 49 3HB ALA 49 -14.198 -5.132 -1.927 363 H SER 50 H SER 50 -16.180 -7.544 -3.269 364 HA SER 50 HA SER 50 -15.600 -7.194 -6.144 365 1HB SER 50 1HB SER 50 -17.272 -8.870 -5.309 366 2HB SER 50 2HB SER 50 -18.267 -7.529 -4.706 367 HG SER 50 HG SER 50 -18.058 -6.746 -7.016 368 H SER 51 H SER 51 -16.287 -5.088 -3.542 369 HA SER 51 HA SER 51 -16.484 -2.756 -5.188 370 1HB SER 51 1HB SER 51 -19.067 -3.803 -4.046 371 2HB SER 51 2HB SER 51 -18.799 -2.064 -4.271 372 HG SER 51 HG SER 51 -18.276 -3.895 -6.362 373 H VAL 52 H VAL 52 -14.622 -2.646 -3.708 374 HA VAL 52 HA VAL 52 -15.334 -0.824 -1.498 375 HB VAL 52 HB VAL 52 -13.233 -3.024 -1.239 376 1HG1 VAL 52 1HG1 VAL 52 -12.727 -2.004 0.998 377 2HG1 VAL 52 2HG1 VAL 52 -12.256 -0.977 -0.352 378 3HG1 VAL 52 3HG1 VAL 52 -13.740 -0.610 0.558 379 1HG2 VAL 52 1HG2 VAL 52 -14.473 -3.654 0.812 380 2HG2 VAL 52 2HG2 VAL 52 -15.663 -2.372 0.496 381 3HG2 VAL 52 3HG2 VAL 52 -15.526 -3.758 -0.602 382 H THR 53 H THR 53 -14.033 0.968 -1.565 383 HA THR 53 HA THR 53 -12.790 1.484 -4.079 384 HB THR 53 HB THR 53 -14.013 3.202 -2.988 385 HG1 THR 53 HG1 THR 53 -12.506 4.786 -3.317 386 1HG2 THR 53 1HG2 THR 53 -13.229 4.396 -1.025 387 2HG2 THR 53 2HG2 THR 53 -11.829 3.320 -0.868 388 3HG2 THR 53 3HG2 THR 53 -13.470 2.694 -0.597 389 HA PRO 54 HA PRO 54 -8.497 0.330 -3.105 390 1HB PRO 54 1HB PRO 54 -7.194 1.784 -5.017 391 2HB PRO 54 2HB PRO 54 -8.099 0.281 -5.372 392 1HG PRO 54 1HG PRO 54 -9.072 3.139 -5.660 393 2HG PRO 54 2HG PRO 54 -9.152 1.818 -6.870 394 1HD PRO 54 1HD PRO 54 -11.270 2.399 -5.303 395 2HD PRO 54 2HD PRO 54 -10.861 0.694 -5.656 396 H GLU 55 H GLU 55 -9.862 3.585 -3.098 397 HA GLU 55 HA GLU 55 -7.674 4.984 -1.969 398 1HB GLU 55 1HB GLU 55 -10.288 5.492 -2.818 399 2HB GLU 55 2HB GLU 55 -10.369 5.864 -1.117 400 1HG GLU 55 1HG GLU 55 -8.137 6.950 -2.910 401 2HG GLU 55 2HG GLU 55 -9.754 7.640 -2.986 402 H SER 56 H SER 56 -9.607 2.482 -0.558 403 HA SER 56 HA SER 56 -9.247 3.193 2.254 404 1HB SER 56 1HB SER 56 -9.857 0.843 2.668 405 2HB SER 56 2HB SER 56 -11.016 1.629 1.582 406 HG SER 56 HG SER 56 -10.280 0.436 -0.099 407 H LEU 57 H LEU 57 -7.482 1.020 -0.006 408 HA LEU 57 HA LEU 57 -5.433 0.309 1.912 409 1HB LEU 57 1HB LEU 57 -5.325 0.340 -1.111 410 2HB LEU 57 2HB LEU 57 -4.195 -0.487 -0.054 411 HG LEU 57 HG LEU 57 -7.143 -1.191 -0.472 412 1HD1 LEU 57 1HD1 LEU 57 -5.819 -3.318 -1.397 413 2HD1 LEU 57 2HD1 LEU 57 -4.514 -2.139 -1.574 414 3HD1 LEU 57 3HD1 LEU 57 -6.039 -1.867 -2.419 415 1HD2 LEU 57 1HD2 LEU 57 -6.370 -1.826 1.810 416 2HD2 LEU 57 2HD2 LEU 57 -5.054 -2.783 1.096 417 3HD2 LEU 57 3HD2 LEU 57 -6.744 -3.232 0.785 418 H ARG 58 H ARG 58 -5.596 2.817 -0.653 419 HA ARG 58 HA ARG 58 -3.138 4.086 -0.399 420 1HB ARG 58 1HB ARG 58 -4.995 4.565 -1.978 421 2HB ARG 58 2HB ARG 58 -5.883 5.363 -0.733 422 1HG ARG 58 1HG ARG 58 -3.086 6.261 -1.391 423 2HG ARG 58 2HG ARG 58 -4.420 6.712 -2.453 424 1HD ARG 58 1HD ARG 58 -5.614 7.745 -0.528 425 2HD ARG 58 2HD ARG 58 -4.263 7.317 0.517 426 HE ARG 58 HE ARG 58 -3.000 9.013 -0.224 427 1HH1 ARG 58 1HH1 ARG 58 -6.163 9.307 -1.780 428 2HH1 ARG 58 2HH1 ARG 58 -5.812 10.943 -2.235 429 1HH2 ARG 58 1HH2 ARG 58 -2.822 10.971 -0.453 430 2HH2 ARG 58 2HH2 ARG 58 -3.920 11.962 -1.415 431 H LYS 59 H LYS 59 -6.081 4.834 1.572 432 HA LYS 59 HA LYS 59 -4.735 6.558 3.428 433 1HB LYS 59 1HB LYS 59 -7.408 5.227 3.126 434 2HB LYS 59 2HB LYS 59 -6.946 5.640 4.756 435 1HG LYS 59 1HG LYS 59 -8.268 7.417 3.606 436 2HG LYS 59 2HG LYS 59 -6.714 7.956 4.264 437 1HD LYS 59 1HD LYS 59 -5.718 7.818 2.010 438 2HD LYS 59 2HD LYS 59 -7.272 7.354 1.325 439 1HE LYS 59 1HE LYS 59 -6.828 9.922 2.913 440 2HE LYS 59 2HE LYS 59 -6.418 9.803 1.201 441 1HZ LYS 59 1HZ LYS 59 -8.657 9.202 0.679 442 2HZ LYS 59 2HZ LYS 59 -8.692 10.634 1.473 443 3HZ LYS 59 3HZ LYS 59 -9.134 9.216 2.217 444 H ALA 60 H ALA 60 -5.055 2.979 3.524 445 HA ALA 60 HA ALA 60 -4.052 2.815 6.246 446 1HB ALA 60 1HB ALA 60 -5.320 0.999 5.180 447 2HB ALA 60 2HB ALA 60 -4.045 0.794 3.960 448 3HB ALA 60 3HB ALA 60 -3.705 0.449 5.672 449 H ILE 61 H ILE 61 -2.438 2.892 3.034 450 HA ILE 61 HA ILE 61 0.236 2.657 4.067 451 HB ILE 61 HB ILE 61 -0.673 4.155 1.564 452 1HG1 ILE 61 1HG1 ILE 61 0.233 1.283 1.928 453 2HG1 ILE 61 2HG1 ILE 61 -1.378 1.795 1.511 454 1HG2 ILE 61 1HG2 ILE 61 1.709 3.650 0.824 455 2HG2 ILE 61 2HG2 ILE 61 1.568 4.797 2.103 456 3HG2 ILE 61 3HG2 ILE 61 2.052 3.129 2.484 457 1HD1 ILE 61 1HD1 ILE 61 -0.415 2.896 -0.579 458 2HD1 ILE 61 2HD1 ILE 61 1.042 1.921 -0.283 459 3HD1 ILE 61 3HD1 ILE 61 -0.512 1.120 -0.540 460 H GLU 62 H GLU 62 -1.686 5.664 3.350 461 HA GLU 62 HA GLU 62 0.237 7.473 4.345 462 1HB GLU 62 1HB GLU 62 -2.802 7.687 4.238 463 2HB GLU 62 2HB GLU 62 -1.689 9.004 4.680 464 1HG GLU 62 1HG GLU 62 -0.554 8.876 2.575 465 2HG GLU 62 2HG GLU 62 -1.568 7.507 2.066 466 H ALA 63 H ALA 63 -1.741 5.247 6.202 467 HA ALA 63 HA ALA 63 -1.247 6.702 8.701 468 1HB ALA 63 1HB ALA 63 -2.663 4.056 8.155 469 2HB ALA 63 2HB ALA 63 -2.698 4.970 9.676 470 3HB ALA 63 3HB ALA 63 -3.460 5.647 8.221 471 H VAL 64 H VAL 64 0.775 4.870 6.953 472 HA VAL 64 HA VAL 64 1.923 3.452 9.320 473 HB VAL 64 HB VAL 64 1.715 2.355 6.906 474 1HG1 VAL 64 1HG1 VAL 64 3.015 3.975 5.748 475 2HG1 VAL 64 2HG1 VAL 64 4.478 3.421 6.597 476 3HG1 VAL 64 3HG1 VAL 64 3.552 2.283 5.582 477 1HG2 VAL 64 1HG2 VAL 64 2.780 1.366 9.065 478 2HG2 VAL 64 2HG2 VAL 64 3.591 0.851 7.569 479 3HG2 VAL 64 3HG2 VAL 64 4.303 2.137 8.572 480 H SER 65 H SER 65 2.567 6.106 7.085 481 HA SER 65 HA SER 65 4.212 7.287 9.169 482 1HB SER 65 1HB SER 65 5.652 7.544 6.621 483 2HB SER 65 2HB SER 65 6.146 7.389 8.302 484 HG SER 65 HG SER 65 5.423 5.116 8.054 485 HA PRO 66 HA PRO 66 1.161 10.032 7.027 486 1HB PRO 66 1HB PRO 66 0.298 11.212 9.451 487 2HB PRO 66 2HB PRO 66 -0.493 9.886 8.556 488 1HG PRO 66 1HG PRO 66 1.432 9.703 10.880 489 2HG PRO 66 2HG PRO 66 -0.065 8.752 10.589 490 1HD PRO 66 1HD PRO 66 2.314 7.633 10.031 491 2HD PRO 66 2HD PRO 66 1.015 7.458 8.883 492 H GLY 67 H GLY 67 1.313 12.149 6.534 493 1HA GLY 67 1HA GLY 67 2.148 14.339 6.460 494 2HA GLY 67 2HA GLY 67 3.216 13.982 7.845 495 H LEU 68 H LEU 68 4.515 11.722 6.844 496 HA LEU 68 HA LEU 68 6.471 12.800 4.931 497 1HB LEU 68 1HB LEU 68 7.137 11.446 6.840 498 2HB LEU 68 2HB LEU 68 6.077 10.142 6.325 499 HG LEU 68 HG LEU 68 7.464 9.910 4.210 500 1HD1 LEU 68 1HD1 LEU 68 9.750 10.853 4.290 501 2HD1 LEU 68 2HD1 LEU 68 9.304 11.799 5.726 502 3HD1 LEU 68 3HD1 LEU 68 8.522 12.124 4.155 503 1HD2 LEU 68 1HD2 LEU 68 7.681 8.463 6.193 504 2HD2 LEU 68 2HD2 LEU 68 8.883 9.588 6.865 505 3HD2 LEU 68 3HD2 LEU 68 9.214 8.705 5.349 506 H TYR 69 H TYR 69 4.023 10.209 4.967 507 HA TYR 69 HA TYR 69 4.761 9.184 2.436 508 1HB TYR 69 1HB TYR 69 2.583 8.610 4.438 509 2HB TYR 69 2HB TYR 69 2.463 7.970 2.831 510 HD1 TYR 69 HD1 TYR 69 5.878 8.314 4.272 511 HD2 TYR 69 HD2 TYR 69 2.538 5.702 3.612 512 HE1 TYR 69 HE1 TYR 69 7.319 6.362 4.665 513 HE2 TYR 69 HE2 TYR 69 3.984 3.756 3.743 514 HH TYR 69 HH TYR 69 7.412 4.108 4.742 515 H ARG 70 H ARG 70 4.750 10.629 0.873 516 HA ARG 70 HA ARG 70 2.456 11.959 -0.231 517 1HB ARG 70 1HB ARG 70 5.259 11.296 -1.011 518 2HB ARG 70 2HB ARG 70 4.157 11.740 -2.307 519 1HG ARG 70 1HG ARG 70 4.298 13.382 0.177 520 2HG ARG 70 2HG ARG 70 5.663 13.405 -0.910 521 1HD ARG 70 1HD ARG 70 2.838 13.674 -1.972 522 2HD ARG 70 2HD ARG 70 3.739 14.990 -1.262 523 HE ARG 70 HE ARG 70 5.595 14.137 -2.991 524 1HH1 ARG 70 1HH1 ARG 70 2.169 14.447 -3.800 525 2HH1 ARG 70 2HH1 ARG 70 2.484 14.258 -5.502 526 1HH2 ARG 70 1HH2 ARG 70 5.916 13.839 -5.144 527 2HH2 ARG 70 2HH2 ARG 70 4.618 14.071 -6.261 528 H VAL 71 H VAL 71 1.116 10.050 0.111 529 HA VAL 71 HA VAL 71 1.475 7.852 -1.818 530 HB VAL 71 HB VAL 71 -0.977 7.930 -0.107 531 1HG1 VAL 71 1HG1 VAL 71 -0.840 5.479 -0.381 532 2HG1 VAL 71 2HG1 VAL 71 -0.934 6.242 -1.965 533 3HG1 VAL 71 3HG1 VAL 71 0.623 5.646 -1.373 534 1HG2 VAL 71 1HG2 VAL 71 1.013 8.134 1.328 535 2HG2 VAL 71 2HG2 VAL 71 0.352 6.508 1.461 536 3HG2 VAL 71 3HG2 VAL 71 1.807 6.811 0.487 537 H SER 72 H SER 72 0.498 7.431 -3.688 538 HA SER 72 HA SER 72 -2.108 8.634 -4.383 539 1HB SER 72 1HB SER 72 -1.089 9.378 -6.636 540 2HB SER 72 2HB SER 72 -0.786 10.379 -5.207 541 HG SER 72 HG SER 72 1.207 9.008 -5.015 542 H ILE 73 H ILE 73 -3.085 7.569 -6.263 543 HA ILE 73 HA ILE 73 -2.227 4.741 -6.617 544 HB ILE 73 HB ILE 73 -4.680 6.322 -7.536 545 1HG1 ILE 73 1HG1 ILE 73 -4.400 4.107 -5.467 546 2HG1 ILE 73 2HG1 ILE 73 -4.527 5.818 -5.066 547 1HG2 ILE 73 1HG2 ILE 73 -5.639 4.195 -8.309 548 2HG2 ILE 73 2HG2 ILE 73 -4.149 4.513 -9.170 549 3HG2 ILE 73 3HG2 ILE 73 -4.165 3.328 -7.845 550 1HD1 ILE 73 1HD1 ILE 73 -6.794 5.869 -6.138 551 2HD1 ILE 73 2HD1 ILE 73 -6.694 4.097 -6.311 552 3HD1 ILE 73 3HD1 ILE 73 -6.666 4.830 -4.704 553 H THR 74 H THR 74 -1.147 3.960 -8.174 554 HA THR 74 HA THR 74 -0.235 5.754 -10.298 555 HB THR 74 HB THR 74 0.645 2.880 -10.219 556 HG1 THR 74 HG1 THR 74 1.185 4.796 -8.215 557 1HG2 THR 74 1HG2 THR 74 2.827 3.982 -10.524 558 2HG2 THR 74 2HG2 THR 74 2.072 5.573 -10.253 559 3HG2 THR 74 3HG2 THR 74 1.651 4.620 -11.701 560 H SER 75 H SER 75 -1.586 6.018 -11.972 561 HA SER 75 HA SER 75 -2.781 3.603 -13.278 562 1HB SER 75 1HB SER 75 -4.382 4.888 -11.735 563 2HB SER 75 2HB SER 75 -4.270 6.214 -12.900 564 HG SER 75 HG SER 75 -5.923 5.020 -13.678 565 H GLU 76 H GLU 76 -3.651 4.067 -15.460 566 HA GLU 76 HA GLU 76 -1.781 5.668 -17.061 567 1HB GLU 76 1HB GLU 76 -2.434 3.335 -17.632 568 2HB GLU 76 2HB GLU 76 -4.058 3.915 -18.035 569 1HG GLU 76 1HG GLU 76 -3.033 5.468 -19.731 570 2HG GLU 76 2HG GLU 76 -1.430 4.890 -19.271 571 H VAL 77 H VAL 77 -2.546 7.481 -15.909 572 HA VAL 77 HA VAL 77 -5.037 8.853 -16.625 573 HB VAL 77 HB VAL 77 -2.429 9.835 -15.398 574 1HG1 VAL 77 1HG1 VAL 77 -3.549 11.796 -16.353 575 2HG1 VAL 77 2HG1 VAL 77 -5.082 11.321 -15.581 576 3HG1 VAL 77 3HG1 VAL 77 -3.690 11.813 -14.597 577 1HG2 VAL 77 1HG2 VAL 77 -5.114 9.154 -14.123 578 2HG2 VAL 77 2HG2 VAL 77 -3.627 8.197 -13.990 579 3HG2 VAL 77 3HG2 VAL 77 -3.697 9.809 -13.274 Start of MODEL 24 1 1H ASN 1 1HT ASN 1 -14.265 -14.101 -6.907 2 HA ASN 1 HA ASN 1 -11.857 -14.376 -5.409 3 1HB ASN 1 1HB ASN 1 -10.735 -14.238 -7.536 4 2HB ASN 1 2HB ASN 1 -12.197 -15.196 -7.737 5 1HD2 ASN 1 1HD2 ASN 1 -10.798 -11.881 -8.338 6 2HD2 ASN 1 2HD2 ASN 1 -11.911 -11.564 -9.648 7 H ASP 2 H ASP 2 -9.967 -13.005 -5.661 8 HA ASP 2 HA ASP 2 -10.466 -10.597 -4.332 9 1HB ASP 2 1HB ASP 2 -7.807 -11.488 -5.478 10 2HB ASP 2 2HB ASP 2 -8.107 -10.553 -4.005 11 H SER 3 H SER 3 -9.642 -8.511 -4.703 12 HA SER 3 HA SER 3 -9.525 -7.569 -7.525 13 1HB SER 3 1HB SER 3 -11.317 -6.627 -5.981 14 2HB SER 3 2HB SER 3 -10.021 -5.943 -5.001 15 HG SER 3 HG SER 3 -10.965 -4.559 -6.627 16 H THR 4 H THR 4 -8.150 -5.290 -7.230 17 HA THR 4 HA THR 4 -5.641 -5.586 -5.815 18 HB THR 4 HB THR 4 -5.820 -6.483 -8.694 19 HG1 THR 4 HG1 THR 4 -5.741 -7.747 -6.604 20 1HG2 THR 4 1HG2 THR 4 -3.334 -6.485 -8.790 21 2HG2 THR 4 2HG2 THR 4 -3.275 -5.519 -7.304 22 3HG2 THR 4 3HG2 THR 4 -3.984 -4.844 -8.795 23 H ALA 5 H ALA 5 -4.307 -3.825 -6.053 24 HA ALA 5 HA ALA 5 -4.884 -1.667 -7.899 25 1HB ALA 5 1HB ALA 5 -5.428 -1.356 -4.924 26 2HB ALA 5 2HB ALA 5 -5.243 0.019 -6.033 27 3HB ALA 5 3HB ALA 5 -6.578 -1.140 -6.256 28 H THR 6 H THR 6 -3.335 0.070 -7.733 29 HA THR 6 HA THR 6 -0.730 -0.655 -6.463 30 HB THR 6 HB THR 6 -1.135 0.744 -9.119 31 HG1 THR 6 HG1 THR 6 -0.554 -1.209 -9.987 32 1HG2 THR 6 1HG2 THR 6 0.963 1.382 -8.055 33 2HG2 THR 6 2HG2 THR 6 1.314 0.257 -9.377 34 3HG2 THR 6 3HG2 THR 6 1.334 -0.316 -7.690 35 H PHE 7 H PHE 7 0.347 0.869 -5.519 36 HA PHE 7 HA PHE 7 -0.649 3.651 -5.433 37 1HB PHE 7 1HB PHE 7 -0.011 2.158 -2.890 38 2HB PHE 7 2HB PHE 7 -0.783 3.727 -3.093 39 HD1 PHE 7 HD1 PHE 7 -3.141 3.972 -3.349 40 HD2 PHE 7 HD2 PHE 7 -1.424 -0.002 -3.511 41 HE1 PHE 7 HE1 PHE 7 -5.428 2.918 -3.309 42 HE2 PHE 7 HE2 PHE 7 -3.645 -0.964 -3.551 43 HZ PHE 7 HZ PHE 7 -5.654 0.473 -3.427 44 H ILE 8 H ILE 8 0.953 5.145 -5.145 45 HA ILE 8 HA ILE 8 3.728 4.179 -4.700 46 HB ILE 8 HB ILE 8 3.093 4.507 -7.094 47 1HG1 ILE 8 1HG1 ILE 8 5.214 6.465 -6.078 48 2HG1 ILE 8 2HG1 ILE 8 5.376 4.707 -6.067 49 1HG2 ILE 8 1HG2 ILE 8 2.832 6.709 -8.072 50 2HG2 ILE 8 2HG2 ILE 8 1.555 6.388 -6.905 51 3HG2 ILE 8 3HG2 ILE 8 2.901 7.468 -6.468 52 1HD1 ILE 8 1HD1 ILE 8 6.540 5.567 -7.984 53 2HD1 ILE 8 2HD1 ILE 8 5.166 4.563 -8.475 54 3HD1 ILE 8 3HD1 ILE 8 5.061 6.344 -8.590 55 H ILE 9 H ILE 9 5.009 5.248 -3.417 56 HA ILE 9 HA ILE 9 3.747 7.388 -1.788 57 HB ILE 9 HB ILE 9 5.852 5.307 -1.053 58 1HG1 ILE 9 1HG1 ILE 9 4.356 4.161 0.368 59 2HG1 ILE 9 2HG1 ILE 9 3.001 5.171 -0.042 60 1HG2 ILE 9 1HG2 ILE 9 5.963 7.403 0.299 61 2HG2 ILE 9 2HG2 ILE 9 4.244 7.234 0.689 62 3HG2 ILE 9 3HG2 ILE 9 5.433 6.044 1.275 63 1HD1 ILE 9 1HD1 ILE 9 3.120 2.819 -0.941 64 2HD1 ILE 9 2HD1 ILE 9 2.826 4.048 -2.174 65 3HD1 ILE 9 3HD1 ILE 9 4.464 3.330 -1.975 66 H ASP 10 H ASP 10 4.689 9.302 -2.620 67 HA ASP 10 HA ASP 10 7.283 9.314 -3.714 68 1HB ASP 10 1HB ASP 10 5.068 11.022 -3.706 69 2HB ASP 10 2HB ASP 10 6.240 11.990 -2.882 70 H GLY 11 H GLY 11 6.948 9.001 -0.594 71 1HA GLY 11 1HA GLY 11 9.305 10.689 0.225 72 2HA GLY 11 2HA GLY 11 7.839 10.613 1.207 73 H MET 12 H MET 12 8.526 7.621 -0.261 74 HA MET 12 HA MET 12 8.735 6.335 2.290 75 1HB MET 12 1HB MET 12 7.769 5.586 0.020 76 2HB MET 12 2HB MET 12 9.380 5.097 -0.435 77 1HG MET 12 1HG MET 12 8.157 4.186 2.149 78 2HG MET 12 2HG MET 12 7.441 3.573 0.717 79 1HE MET 12 1HE MET 12 8.243 1.730 -0.889 80 2HE MET 12 2HE MET 12 9.388 2.997 -1.404 81 3HE MET 12 3HE MET 12 9.963 1.347 -1.091 82 H HIS 13 H HIS 13 10.543 5.701 3.479 83 HA HIS 13 HA HIS 13 13.200 6.447 2.773 84 1HB HIS 13 1HB HIS 13 12.082 4.476 4.764 85 2HB HIS 13 2HB HIS 13 13.809 4.722 4.600 86 HD1 HIS 13 HD1 HIS 13 14.891 6.840 5.663 87 HD2 HIS 13 HD2 HIS 13 10.692 6.761 5.726 88 HE1 HIS 13 HE1 HIS 13 14.146 8.744 7.193 89 H CYS 14 H CYS 14 11.484 4.133 1.212 90 HA CYS 14 HA CYS 14 12.006 2.870 -0.589 91 1HB CYS 14 1HB CYS 14 14.757 4.018 -0.085 92 2HB CYS 14 2HB CYS 14 14.412 2.887 -1.396 93 HG CYS 14 HG CYS 14 12.716 5.678 -0.680 94 H LYS 15 H LYS 15 14.254 2.192 2.090 95 HA LYS 15 HA LYS 15 13.974 -0.714 1.354 96 1HB LYS 15 1HB LYS 15 16.277 0.964 2.219 97 2HB LYS 15 2HB LYS 15 16.163 -0.647 2.962 98 1HG LYS 15 1HG LYS 15 17.515 -0.885 1.011 99 2HG LYS 15 2HG LYS 15 15.964 -1.645 0.668 100 1HD LYS 15 1HD LYS 15 15.315 0.511 -0.544 101 2HD LYS 15 2HD LYS 15 16.980 1.048 -0.344 102 1HE LYS 15 1HE LYS 15 17.729 -0.873 -1.714 103 2HE LYS 15 2HE LYS 15 16.065 -1.523 -1.716 104 1HZ LYS 15 1HZ LYS 15 15.292 0.182 -3.009 105 2HZ LYS 15 2HZ LYS 15 16.651 -0.288 -3.764 106 3HZ LYS 15 3HZ LYS 15 16.651 1.118 -2.894 107 H SER 16 H SER 16 14.741 0.788 4.585 108 HA SER 16 HA SER 16 13.267 -1.151 5.988 109 1HB SER 16 1HB SER 16 13.440 1.707 6.969 110 2HB SER 16 2HB SER 16 13.527 0.196 7.886 111 HG SER 16 HG SER 16 15.619 1.018 7.687 112 H CYS 17 H CYS 17 11.902 1.822 4.506 113 HA CYS 17 HA CYS 17 9.381 1.696 5.892 114 1HB CYS 17 1HB CYS 17 10.315 3.083 3.335 115 2HB CYS 17 2HB CYS 17 8.659 2.837 3.612 116 HG CYS 17 HG CYS 17 8.214 4.171 5.620 117 H VAL 18 H VAL 18 10.451 -0.029 2.978 118 HA VAL 18 HA VAL 18 8.132 -1.186 2.093 119 HB VAL 18 HB VAL 18 10.936 -2.411 2.297 120 1HG1 VAL 18 1HG1 VAL 18 10.056 -3.750 0.237 121 2HG1 VAL 18 2HG1 VAL 18 9.796 -4.320 1.893 122 3HG1 VAL 18 3HG1 VAL 18 8.485 -3.519 1.046 123 1HG2 VAL 18 1HG2 VAL 18 9.554 -0.757 0.158 124 2HG2 VAL 18 2HG2 VAL 18 10.940 -0.312 1.144 125 3HG2 VAL 18 3HG2 VAL 18 11.097 -1.597 -0.040 126 H SER 19 H SER 19 10.224 -2.412 4.713 127 HA SER 19 HA SER 19 8.758 -4.828 5.241 128 1HB SER 19 1HB SER 19 11.143 -4.085 6.003 129 2HB SER 19 2HB SER 19 10.359 -3.073 7.208 130 HG SER 19 HG SER 19 9.360 -5.070 8.013 131 H ASN 20 H ASN 20 8.412 -1.518 6.645 132 HA ASN 20 HA ASN 20 6.285 -2.189 8.481 133 1HB ASN 20 1HB ASN 20 6.760 0.370 6.953 134 2HB ASN 20 2HB ASN 20 5.714 0.223 8.302 135 1HD2 ASN 20 1HD2 ASN 20 8.303 1.734 7.676 136 2HD2 ASN 20 2HD2 ASN 20 9.265 1.437 9.111 137 H ILE 21 H ILE 21 6.314 -1.067 5.067 138 HA ILE 21 HA ILE 21 3.477 -0.597 4.963 139 HB ILE 21 HB ILE 21 5.148 -1.336 2.536 140 1HG1 ILE 21 1HG1 ILE 21 5.671 1.004 4.278 141 2HG1 ILE 21 2HG1 ILE 21 6.574 0.206 2.999 142 1HG2 ILE 21 1HG2 ILE 21 2.762 -1.226 2.208 143 2HG2 ILE 21 2HG2 ILE 21 2.689 0.404 2.915 144 3HG2 ILE 21 3HG2 ILE 21 3.524 0.096 1.359 145 1HD1 ILE 21 1HD1 ILE 21 4.436 2.211 2.341 146 2HD1 ILE 21 2HD1 ILE 21 6.191 2.492 2.366 147 3HD1 ILE 21 3HD1 ILE 21 5.505 1.350 1.213 148 H GLU 22 H GLU 22 5.417 -3.300 3.751 149 HA GLU 22 HA GLU 22 3.437 -5.063 2.876 150 1HB GLU 22 1HB GLU 22 6.213 -5.315 4.073 151 2HB GLU 22 2HB GLU 22 5.403 -6.737 3.510 152 1HG GLU 22 1HG GLU 22 5.558 -4.310 1.687 153 2HG GLU 22 2HG GLU 22 6.979 -5.261 1.866 154 H SER 23 H SER 23 4.781 -4.656 6.194 155 HA SER 23 HA SER 23 3.077 -6.658 7.363 156 1HB SER 23 1HB SER 23 4.501 -4.271 8.666 157 2HB SER 23 2HB SER 23 3.869 -5.696 9.519 158 HG SER 23 HG SER 23 6.083 -5.461 7.775 159 H THR 24 H THR 24 2.661 -3.111 7.285 160 HA THR 24 HA THR 24 0.305 -3.149 8.953 161 HB THR 24 HB THR 24 1.532 -1.032 7.081 162 HG1 THR 24 HG1 THR 24 1.371 -1.254 9.903 163 1HG2 THR 24 1HG2 THR 24 -0.825 -0.421 7.345 164 2HG2 THR 24 2HG2 THR 24 0.163 0.622 8.372 165 3HG2 THR 24 3HG2 THR 24 -0.754 -0.723 9.093 166 H LEU 25 H LEU 25 0.838 -3.138 5.462 167 HA LEU 25 HA LEU 25 -2.020 -3.060 4.890 168 1HB LEU 25 1HB LEU 25 0.464 -3.666 3.275 169 2HB LEU 25 2HB LEU 25 -1.144 -3.843 2.616 170 HG LEU 25 HG LEU 25 0.291 -1.636 2.236 171 1HD1 LEU 25 1HD1 LEU 25 -1.830 -0.454 1.780 172 2HD1 LEU 25 2HD1 LEU 25 -2.711 -1.693 2.686 173 3HD1 LEU 25 3HD1 LEU 25 -1.835 -2.126 1.198 174 1HD2 LEU 25 1HD2 LEU 25 0.510 -0.894 4.574 175 2HD2 LEU 25 2HD2 LEU 25 -1.264 -0.868 4.750 176 3HD2 LEU 25 3HD2 LEU 25 -0.463 0.246 3.654 177 H SER 26 H SER 26 0.465 -5.801 4.973 178 HA SER 26 HA SER 26 -1.584 -7.637 4.056 179 1HB SER 26 1HB SER 26 0.844 -7.964 3.636 180 2HB SER 26 2HB SER 26 1.099 -8.242 5.342 181 HG SER 26 HG SER 26 -0.484 -9.944 5.149 182 H ALA 27 H ALA 27 -2.005 -6.098 6.665 183 HA ALA 27 HA ALA 27 -2.870 -8.388 8.397 184 1HB ALA 27 1HB ALA 27 -2.153 -5.507 9.141 185 2HB ALA 27 2HB ALA 27 -2.711 -6.767 10.267 186 3HB ALA 27 3HB ALA 27 -1.148 -6.937 9.443 187 H LEU 28 H LEU 28 -4.051 -6.165 6.127 188 HA LEU 28 HA LEU 28 -6.222 -5.093 7.660 189 1HB LEU 28 1HB LEU 28 -5.738 -5.197 4.661 190 2HB LEU 28 2HB LEU 28 -7.043 -4.302 5.421 191 HG LEU 28 HG LEU 28 -4.152 -3.770 6.201 192 1HD1 LEU 28 1HD1 LEU 28 -5.677 -2.321 3.998 193 2HD1 LEU 28 2HD1 LEU 28 -4.393 -3.519 3.702 194 3HD1 LEU 28 3HD1 LEU 28 -4.031 -2.014 4.559 195 1HD2 LEU 28 1HD2 LEU 28 -5.923 -2.853 7.654 196 2HD2 LEU 28 2HD2 LEU 28 -6.688 -2.088 6.238 197 3HD2 LEU 28 3HD2 LEU 28 -5.063 -1.571 6.783 198 H GLN 29 H GLN 29 -8.325 -5.608 7.778 199 HA GLN 29 HA GLN 29 -9.031 -8.281 7.995 200 1HB GLN 29 1HB GLN 29 -10.810 -5.820 7.690 201 2HB GLN 29 2HB GLN 29 -11.360 -7.377 8.314 202 1HG GLN 29 1HG GLN 29 -9.939 -7.201 10.266 203 2HG GLN 29 2HG GLN 29 -9.131 -5.763 9.639 204 1HE2 GLN 29 1HE2 GLN 29 -12.045 -6.890 11.316 205 2HE2 GLN 29 2HE2 GLN 29 -12.681 -5.256 11.492 206 H TYR 30 H TYR 30 -9.109 -6.527 5.064 207 HA TYR 30 HA TYR 30 -10.778 -8.602 3.707 208 1HB TYR 30 1HB TYR 30 -10.989 -6.680 1.971 209 2HB TYR 30 2HB TYR 30 -11.933 -6.636 3.442 210 HD1 TYR 30 HD1 TYR 30 -8.288 -5.497 2.969 211 HD2 TYR 30 HD2 TYR 30 -12.391 -4.416 3.809 212 HE1 TYR 30 HE1 TYR 30 -7.592 -3.223 3.419 213 HE2 TYR 30 HE2 TYR 30 -11.659 -2.093 4.305 214 HH TYR 30 HH TYR 30 -8.222 -1.111 4.126 215 H VAL 31 H VAL 31 -7.466 -7.916 4.046 216 HA VAL 31 HA VAL 31 -7.064 -7.842 1.102 217 HB VAL 31 HB VAL 31 -5.888 -6.098 2.381 218 1HG1 VAL 31 1HG1 VAL 31 -5.149 -7.295 4.265 219 2HG1 VAL 31 2HG1 VAL 31 -4.054 -8.298 3.248 220 3HG1 VAL 31 3HG1 VAL 31 -3.863 -6.523 3.312 221 1HG2 VAL 31 1HG2 VAL 31 -5.135 -6.801 0.068 222 2HG2 VAL 31 2HG2 VAL 31 -3.807 -6.230 1.088 223 3HG2 VAL 31 3HG2 VAL 31 -4.018 -7.958 0.834 224 H SER 32 H SER 32 -6.053 -9.364 -0.074 225 HA SER 32 HA SER 32 -5.913 -12.059 1.177 226 1HB SER 32 1HB SER 32 -7.252 -11.048 -0.987 227 2HB SER 32 2HB SER 32 -5.807 -11.670 -1.779 228 HG SER 32 HG SER 32 -7.717 -13.056 -1.475 229 H SER 33 H SER 33 -3.889 -9.644 -0.395 230 HA SER 33 HA SER 33 -1.353 -10.878 0.109 231 1HB SER 33 1HB SER 33 -2.670 -11.330 -2.536 232 2HB SER 33 2HB SER 33 -0.946 -11.133 -2.508 233 HG SER 33 HG SER 33 -2.365 -12.944 -0.831 234 H ILE 34 H ILE 34 0.345 -9.782 -1.288 235 HA ILE 34 HA ILE 34 0.104 -7.159 -2.336 236 HB ILE 34 HB ILE 34 -0.593 -6.555 -0.045 237 1HG1 ILE 34 1HG1 ILE 34 2.213 -5.543 -0.628 238 2HG1 ILE 34 2HG1 ILE 34 0.743 -4.984 -1.396 239 1HG2 ILE 34 1HG2 ILE 34 0.902 -6.817 1.893 240 2HG2 ILE 34 2HG2 ILE 34 0.432 -8.381 1.244 241 3HG2 ILE 34 3HG2 ILE 34 2.045 -7.736 0.904 242 1HD1 ILE 34 1HD1 ILE 34 1.422 -3.442 0.331 243 2HD1 ILE 34 2HD1 ILE 34 -0.101 -4.233 0.787 244 3HD1 ILE 34 3HD1 ILE 34 1.440 -4.726 1.542 245 H VAL 35 H VAL 35 2.110 -6.312 -2.859 246 HA VAL 35 HA VAL 35 4.613 -7.477 -1.928 247 HB VAL 35 HB VAL 35 3.834 -7.447 -4.896 248 1HG1 VAL 35 1HG1 VAL 35 6.665 -7.646 -3.781 249 2HG1 VAL 35 2HG1 VAL 35 6.205 -8.036 -5.451 250 3HG1 VAL 35 3HG1 VAL 35 6.028 -6.389 -4.869 251 1HG2 VAL 35 1HG2 VAL 35 5.027 -9.541 -3.030 252 2HG2 VAL 35 2HG2 VAL 35 3.427 -9.616 -3.828 253 3HG2 VAL 35 3HG2 VAL 35 4.891 -9.792 -4.793 254 H VAL 36 H VAL 36 5.944 -5.975 -1.573 255 HA VAL 36 HA VAL 36 5.667 -3.294 -2.971 256 HB VAL 36 HB VAL 36 7.019 -4.127 -0.399 257 1HG1 VAL 36 1HG1 VAL 36 8.619 -2.574 -1.347 258 2HG1 VAL 36 2HG1 VAL 36 7.322 -1.466 -1.875 259 3HG1 VAL 36 3HG1 VAL 36 7.650 -1.714 -0.149 260 1HG2 VAL 36 1HG2 VAL 36 5.613 -2.352 0.522 261 2HG2 VAL 36 2HG2 VAL 36 5.058 -1.942 -1.113 262 3HG2 VAL 36 3HG2 VAL 36 4.591 -3.504 -0.387 263 H SER 37 H SER 37 7.285 -2.371 -4.127 264 HA SER 37 HA SER 37 9.495 -4.194 -4.924 265 1HB SER 37 1HB SER 37 8.299 -2.392 -6.523 266 2HB SER 37 2HB SER 37 9.470 -1.370 -5.713 267 HG SER 37 HG SER 37 10.141 -2.569 -7.716 268 H LEU 38 H LEU 38 10.894 -4.381 -3.279 269 HA LEU 38 HA LEU 38 12.015 -2.499 -1.612 270 1HB LEU 38 1HB LEU 38 12.412 -5.134 -2.203 271 2HB LEU 38 2HB LEU 38 13.801 -4.446 -3.031 272 HG LEU 38 HG LEU 38 13.769 -5.384 -0.466 273 1HD1 LEU 38 1HD1 LEU 38 15.908 -4.125 -0.181 274 2HD1 LEU 38 2HD1 LEU 38 15.502 -3.280 -1.701 275 3HD1 LEU 38 3HD1 LEU 38 15.735 -5.032 -1.710 276 1HD2 LEU 38 1HD2 LEU 38 13.595 -2.375 -0.096 277 2HD2 LEU 38 2HD2 LEU 38 14.013 -3.575 1.146 278 3HD2 LEU 38 3HD2 LEU 38 12.389 -3.567 0.452 279 H GLU 39 H GLU 39 12.459 -2.631 -5.061 280 HA GLU 39 HA GLU 39 14.532 -0.584 -5.045 281 1HB GLU 39 1HB GLU 39 14.410 -2.602 -6.567 282 2HB GLU 39 2HB GLU 39 13.027 -1.890 -7.364 283 1HG GLU 39 1HG GLU 39 15.599 -0.296 -7.098 284 2HG GLU 39 2HG GLU 39 15.490 -1.676 -8.196 285 H ASN 40 H ASN 40 11.368 -0.934 -6.612 286 HA ASN 40 HA ASN 40 11.110 1.889 -7.186 287 1HB ASN 40 1HB ASN 40 8.832 -0.126 -7.313 288 2HB ASN 40 2HB ASN 40 9.045 1.301 -8.258 289 1HD2 ASN 40 1HD2 ASN 40 11.745 1.044 -9.113 290 2HD2 ASN 40 2HD2 ASN 40 11.986 -0.397 -9.918 291 H ARG 41 H ARG 41 9.977 3.469 -6.098 292 HA ARG 41 HA ARG 41 9.081 3.051 -3.420 293 1HB ARG 41 1HB ARG 41 8.482 5.519 -3.539 294 2HB ARG 41 2HB ARG 41 10.130 5.053 -3.839 295 1HG ARG 41 1HG ARG 41 8.745 5.076 -6.389 296 2HG ARG 41 2HG ARG 41 8.272 6.517 -5.523 297 1HD ARG 41 1HD ARG 41 11.205 5.692 -5.613 298 2HD ARG 41 2HD ARG 41 10.474 6.388 -7.020 299 HE ARG 41 HE ARG 41 11.237 7.737 -4.541 300 1HH1 ARG 41 1HH1 ARG 41 8.929 8.116 -7.219 301 2HH1 ARG 41 2HH1 ARG 41 8.422 9.677 -6.587 302 1HH2 ARG 41 1HH2 ARG 41 10.466 9.836 -3.907 303 2HH2 ARG 41 2HH2 ARG 41 9.257 10.564 -4.920 304 H SER 42 H SER 42 7.480 1.385 -5.046 305 HA SER 42 HA SER 42 4.728 2.341 -4.456 306 1HB SER 42 1HB SER 42 4.054 0.981 -6.519 307 2HB SER 42 2HB SER 42 4.724 2.592 -6.771 308 HG SER 42 HG SER 42 6.145 0.124 -6.930 309 H ALA 43 H ALA 43 3.190 0.764 -4.207 310 HA ALA 43 HA ALA 43 4.025 -2.033 -3.510 311 1HB ALA 43 1HB ALA 43 3.381 -0.544 -1.508 312 2HB ALA 43 2HB ALA 43 1.801 -0.303 -2.268 313 3HB ALA 43 3HB ALA 43 2.303 -1.933 -1.761 314 H ILE 44 H ILE 44 2.712 -3.598 -4.324 315 HA ILE 44 HA ILE 44 0.265 -2.851 -5.890 316 HB ILE 44 HB ILE 44 2.226 -5.139 -6.359 317 1HG1 ILE 44 1HG1 ILE 44 1.471 -2.755 -8.128 318 2HG1 ILE 44 2HG1 ILE 44 2.958 -2.859 -7.194 319 1HG2 ILE 44 1HG2 ILE 44 -0.141 -5.829 -6.697 320 2HG2 ILE 44 2HG2 ILE 44 -0.398 -4.440 -7.776 321 3HG2 ILE 44 3HG2 ILE 44 0.711 -5.756 -8.230 322 1HD1 ILE 44 1HD1 ILE 44 3.603 -4.905 -8.497 323 2HD1 ILE 44 2HD1 ILE 44 2.181 -4.634 -9.538 324 3HD1 ILE 44 3HD1 ILE 44 3.467 -3.422 -9.464 325 H VAL 45 H VAL 45 -1.489 -3.499 -4.837 326 HA VAL 45 HA VAL 45 -1.212 -5.386 -2.508 327 HB VAL 45 HB VAL 45 -3.072 -3.030 -2.755 328 1HG1 VAL 45 1HG1 VAL 45 -3.765 -4.785 -1.135 329 2HG1 VAL 45 2HG1 VAL 45 -2.154 -4.766 -0.397 330 3HG1 VAL 45 3HG1 VAL 45 -3.217 -3.361 -0.244 331 1HG2 VAL 45 1HG2 VAL 45 -1.658 -1.761 -1.214 332 2HG2 VAL 45 2HG2 VAL 45 -0.411 -3.017 -1.302 333 3HG2 VAL 45 3HG2 VAL 45 -0.826 -2.071 -2.735 334 H VAL 46 H VAL 46 -2.772 -6.997 -2.347 335 HA VAL 46 HA VAL 46 -4.764 -7.201 -4.581 336 HB VAL 46 HB VAL 46 -3.039 -9.330 -3.272 337 1HG1 VAL 46 1HG1 VAL 46 -3.786 -10.884 -4.922 338 2HG1 VAL 46 2HG1 VAL 46 -5.199 -10.248 -4.075 339 3HG1 VAL 46 3HG1 VAL 46 -4.819 -9.653 -5.708 340 1HG2 VAL 46 1HG2 VAL 46 -1.867 -9.518 -5.449 341 2HG2 VAL 46 2HG2 VAL 46 -2.710 -8.060 -6.006 342 3HG2 VAL 46 3HG2 VAL 46 -1.584 -7.980 -4.637 343 H TYR 47 H TYR 47 -6.693 -6.778 -3.557 344 HA TYR 47 HA TYR 47 -7.142 -7.873 -0.813 345 1HB TYR 47 1HB TYR 47 -8.297 -5.864 -0.214 346 2HB TYR 47 2HB TYR 47 -6.710 -5.434 -0.815 347 HD1 TYR 47 HD1 TYR 47 -6.480 -4.631 -3.251 348 HD2 TYR 47 HD2 TYR 47 -10.282 -4.955 -1.239 349 HE1 TYR 47 HE1 TYR 47 -7.508 -3.193 -4.971 350 HE2 TYR 47 HE2 TYR 47 -11.319 -3.525 -2.994 351 HH TYR 47 HH TYR 47 -9.432 -2.352 -5.804 352 H ASN 48 H ASN 48 -9.178 -8.703 -0.264 353 HA ASN 48 HA ASN 48 -10.803 -9.478 -2.578 354 1HB ASN 48 1HB ASN 48 -9.979 -11.086 -0.795 355 2HB ASN 48 2HB ASN 48 -11.150 -10.340 0.307 356 1HD2 ASN 48 1HD2 ASN 48 -10.694 -12.610 -2.263 357 2HD2 ASN 48 2HD2 ASN 48 -12.418 -12.895 -2.603 358 H ALA 49 H ALA 49 -12.437 -8.311 -3.206 359 HA ALA 49 HA ALA 49 -14.667 -7.511 -1.692 360 1HB ALA 49 1HB ALA 49 -13.304 -5.702 -0.737 361 2HB ALA 49 2HB ALA 49 -12.700 -5.277 -2.354 362 3HB ALA 49 3HB ALA 49 -14.404 -4.999 -1.926 363 H SER 50 H SER 50 -16.333 -7.420 -3.235 364 HA SER 50 HA SER 50 -15.577 -7.342 -6.073 365 1HB SER 50 1HB SER 50 -18.368 -7.418 -4.897 366 2HB SER 50 2HB SER 50 -17.851 -7.893 -6.527 367 HG SER 50 HG SER 50 -16.407 -9.438 -5.214 368 H SER 51 H SER 51 -16.385 -4.901 -3.796 369 HA SER 51 HA SER 51 -15.721 -2.942 -5.660 370 1HB SER 51 1HB SER 51 -18.089 -3.177 -6.447 371 2HB SER 51 2HB SER 51 -18.630 -2.685 -4.828 372 HG SER 51 HG SER 51 -18.365 -0.955 -6.460 373 H VAL 52 H VAL 52 -15.713 -0.840 -4.699 374 HA VAL 52 HA VAL 52 -15.869 0.442 -2.475 375 HB VAL 52 HB VAL 52 -15.332 -1.482 -0.998 376 1HG1 VAL 52 1HG1 VAL 52 -13.606 -2.611 -2.461 377 2HG1 VAL 52 2HG1 VAL 52 -12.482 -1.295 -2.084 378 3HG1 VAL 52 3HG1 VAL 52 -13.067 -2.360 -0.793 379 1HG2 VAL 52 1HG2 VAL 52 -13.246 0.676 -0.710 380 2HG2 VAL 52 2HG2 VAL 52 -14.957 0.836 -0.259 381 3HG2 VAL 52 3HG2 VAL 52 -13.930 -0.368 0.537 382 H THR 53 H THR 53 -14.110 2.098 -2.233 383 HA THR 53 HA THR 53 -12.659 2.505 -4.711 384 HB THR 53 HB THR 53 -13.409 4.477 -3.625 385 HG1 THR 53 HG1 THR 53 -11.405 5.555 -3.569 386 1HG2 THR 53 1HG2 THR 53 -12.541 5.235 -1.452 387 2HG2 THR 53 2HG2 THR 53 -11.702 3.681 -1.227 388 3HG2 THR 53 3HG2 THR 53 -13.475 3.744 -1.270 389 HA PRO 54 HA PRO 54 -8.761 0.319 -3.537 390 1HB PRO 54 1HB PRO 54 -7.008 1.944 -4.890 391 2HB PRO 54 2HB PRO 54 -7.977 0.648 -5.645 392 1HG PRO 54 1HG PRO 54 -8.637 3.606 -5.518 393 2HG PRO 54 2HG PRO 54 -8.628 2.531 -6.960 394 1HD PRO 54 1HD PRO 54 -10.897 3.089 -5.694 395 2HD PRO 54 2HD PRO 54 -10.586 1.396 -6.175 396 H GLU 55 H GLU 55 -9.649 3.640 -2.843 397 HA GLU 55 HA GLU 55 -7.208 4.350 -1.636 398 1HB GLU 55 1HB GLU 55 -9.972 5.554 -1.424 399 2HB GLU 55 2HB GLU 55 -8.515 6.315 -0.768 400 1HG GLU 55 1HG GLU 55 -7.462 6.437 -2.934 401 2HG GLU 55 2HG GLU 55 -8.750 5.490 -3.698 402 H SER 56 H SER 56 -9.720 2.368 -0.108 403 HA SER 56 HA SER 56 -9.122 3.054 2.592 404 1HB SER 56 1HB SER 56 -9.441 0.198 1.901 405 2HB SER 56 2HB SER 56 -10.319 1.181 3.082 406 HG SER 56 HG SER 56 -11.674 0.493 1.346 407 H LEU 57 H LEU 57 -7.408 1.044 0.204 408 HA LEU 57 HA LEU 57 -5.376 0.077 2.090 409 1HB LEU 57 1HB LEU 57 -5.278 0.288 -0.934 410 2HB LEU 57 2HB LEU 57 -4.200 -0.639 0.088 411 HG LEU 57 HG LEU 57 -7.154 -1.212 -0.439 412 1HD1 LEU 57 1HD1 LEU 57 -6.181 -1.976 -2.354 413 2HD1 LEU 57 2HD1 LEU 57 -5.701 -3.365 -1.338 414 3HD1 LEU 57 3HD1 LEU 57 -4.572 -2.035 -1.646 415 1HD2 LEU 57 1HD2 LEU 57 -6.568 -1.975 1.826 416 2HD2 LEU 57 2HD2 LEU 57 -5.188 -2.902 1.180 417 3HD2 LEU 57 3HD2 LEU 57 -6.851 -3.333 0.725 418 H ARG 58 H ARG 58 -5.550 2.714 -0.371 419 HA ARG 58 HA ARG 58 -3.021 3.862 -0.118 420 1HB ARG 58 1HB ARG 58 -4.849 4.510 -1.708 421 2HB ARG 58 2HB ARG 58 -5.739 5.169 -0.382 422 1HG ARG 58 1HG ARG 58 -3.803 6.696 0.052 423 2HG ARG 58 2HG ARG 58 -3.192 6.246 -1.552 424 1HD ARG 58 1HD ARG 58 -5.015 7.265 -2.658 425 2HD ARG 58 2HD ARG 58 -6.078 7.131 -1.233 426 HE ARG 58 HE ARG 58 -3.919 8.733 -0.474 427 1HH1 ARG 58 1HH1 ARG 58 -6.980 9.157 -2.372 428 2HH1 ARG 58 2HH1 ARG 58 -6.902 10.847 -2.095 429 1HH2 ARG 58 1HH2 ARG 58 -4.095 10.620 0.030 430 2HH2 ARG 58 2HH2 ARG 58 -5.231 11.749 -0.712 431 H LYS 59 H LYS 59 -5.983 4.756 1.811 432 HA LYS 59 HA LYS 59 -4.766 6.290 3.785 433 1HB LYS 59 1HB LYS 59 -7.213 4.477 3.793 434 2HB LYS 59 2HB LYS 59 -6.791 5.585 5.079 435 1HG LYS 59 1HG LYS 59 -7.616 6.297 2.258 436 2HG LYS 59 2HG LYS 59 -8.398 6.724 3.760 437 1HD LYS 59 1HD LYS 59 -5.704 7.764 2.736 438 2HD LYS 59 2HD LYS 59 -7.219 8.557 2.638 439 1HE LYS 59 1HE LYS 59 -7.461 8.423 5.184 440 2HE LYS 59 2HE LYS 59 -5.800 7.807 5.231 441 1HZ LYS 59 1HZ LYS 59 -5.808 10.187 5.597 442 2HZ LYS 59 2HZ LYS 59 -6.583 10.453 4.151 443 3HZ LYS 59 3HZ LYS 59 -5.075 9.840 4.176 444 H ALA 60 H ALA 60 -4.971 2.630 3.772 445 HA ALA 60 HA ALA 60 -3.825 2.428 6.417 446 1HB ALA 60 1HB ALA 60 -3.640 0.460 4.096 447 2HB ALA 60 2HB ALA 60 -3.414 0.122 5.820 448 3HB ALA 60 3HB ALA 60 -5.017 0.591 5.216 449 H ILE 61 H ILE 61 -2.325 2.659 3.160 450 HA ILE 61 HA ILE 61 0.367 2.503 4.115 451 HB ILE 61 HB ILE 61 -0.559 4.038 1.637 452 1HG1 ILE 61 1HG1 ILE 61 0.226 1.106 1.754 453 2HG1 ILE 61 2HG1 ILE 61 -1.397 1.704 1.573 454 1HG2 ILE 61 1HG2 ILE 61 1.796 3.335 0.864 455 2HG2 ILE 61 2HG2 ILE 61 1.693 4.564 2.081 456 3HG2 ILE 61 3HG2 ILE 61 2.106 2.892 2.548 457 1HD1 ILE 61 1HD1 ILE 61 -0.714 2.893 -0.537 458 2HD1 ILE 61 2HD1 ILE 61 0.806 1.977 -0.470 459 3HD1 ILE 61 3HD1 ILE 61 -0.732 1.118 -0.592 460 H GLU 62 H GLU 62 -1.544 5.475 3.339 461 HA GLU 62 HA GLU 62 0.274 7.382 4.313 462 1HB GLU 62 1HB GLU 62 -2.769 7.390 4.438 463 2HB GLU 62 2HB GLU 62 -1.702 8.771 4.749 464 1HG GLU 62 1HG GLU 62 -0.932 8.839 2.492 465 2HG GLU 62 2HG GLU 62 -1.825 7.359 2.082 466 H ALA 63 H ALA 63 -1.665 5.102 6.224 467 HA ALA 63 HA ALA 63 -1.321 6.672 8.687 468 1HB ALA 63 1HB ALA 63 -2.637 3.966 8.184 469 2HB ALA 63 2HB ALA 63 -2.731 4.912 9.683 470 3HB ALA 63 3HB ALA 63 -3.478 5.537 8.200 471 H VAL 64 H VAL 64 0.754 4.811 7.074 472 HA VAL 64 HA VAL 64 1.924 3.510 9.485 473 HB VAL 64 HB VAL 64 1.697 2.372 7.058 474 1HG1 VAL 64 1HG1 VAL 64 4.514 3.352 6.801 475 2HG1 VAL 64 2HG1 VAL 64 3.554 2.291 5.742 476 3HG1 VAL 64 3HG1 VAL 64 3.108 4.005 5.941 477 1HG2 VAL 64 1HG2 VAL 64 4.232 2.187 8.797 478 2HG2 VAL 64 2HG2 VAL 64 2.695 1.422 9.256 479 3HG2 VAL 64 3HG2 VAL 64 3.553 0.871 7.797 480 H SER 65 H SER 65 2.543 6.076 7.129 481 HA SER 65 HA SER 65 4.262 7.311 9.114 482 1HB SER 65 1HB SER 65 5.621 7.399 6.492 483 2HB SER 65 2HB SER 65 6.165 7.415 8.165 484 HG SER 65 HG SER 65 5.486 5.133 8.181 485 HA PRO 66 HA PRO 66 1.173 9.989 6.936 486 1HB PRO 66 1HB PRO 66 0.282 11.197 9.320 487 2HB PRO 66 2HB PRO 66 -0.472 9.805 8.491 488 1HG PRO 66 1HG PRO 66 1.501 9.779 10.788 489 2HG PRO 66 2HG PRO 66 0.009 8.797 10.585 490 1HD PRO 66 1HD PRO 66 2.381 7.677 10.011 491 2HD PRO 66 2HD PRO 66 1.055 7.440 8.909 492 H GLY 67 H GLY 67 1.408 12.103 6.404 493 1HA GLY 67 1HA GLY 67 2.335 14.262 6.321 494 2HA GLY 67 2HA GLY 67 3.352 13.881 7.736 495 H LEU 68 H LEU 68 4.552 11.513 6.755 496 HA LEU 68 HA LEU 68 6.597 12.530 4.896 497 1HB LEU 68 1HB LEU 68 7.115 11.140 6.859 498 2HB LEU 68 2HB LEU 68 6.120 9.843 6.216 499 HG LEU 68 HG LEU 68 7.663 9.697 4.222 500 1HD1 LEU 68 1HD1 LEU 68 9.343 11.596 5.909 501 2HD1 LEU 68 2HD1 LEU 68 8.698 11.916 4.276 502 3HD1 LEU 68 3HD1 LEU 68 9.937 10.668 4.517 503 1HD2 LEU 68 1HD2 LEU 68 7.803 8.183 6.153 504 2HD2 LEU 68 2HD2 LEU 68 8.884 9.332 6.978 505 3HD2 LEU 68 3HD2 LEU 68 9.403 8.530 5.474 506 H TYR 69 H TYR 69 3.987 10.114 4.849 507 HA TYR 69 HA TYR 69 4.709 9.151 2.239 508 1HB TYR 69 1HB TYR 69 2.554 8.451 4.249 509 2HB TYR 69 2HB TYR 69 2.536 7.818 2.627 510 HD1 TYR 69 HD1 TYR 69 2.556 5.591 3.617 511 HD2 TYR 69 HD2 TYR 69 5.941 8.230 3.976 512 HE1 TYR 69 HE1 TYR 69 3.986 3.674 3.925 513 HE2 TYR 69 HE2 TYR 69 7.364 6.301 4.542 514 HH TYR 69 HH TYR 69 5.999 2.988 4.725 515 H ARG 70 H ARG 70 4.550 10.746 0.791 516 HA ARG 70 HA ARG 70 2.099 11.940 -0.137 517 1HB ARG 70 1HB ARG 70 4.592 12.517 -0.530 518 2HB ARG 70 2HB ARG 70 4.590 11.279 -1.681 519 1HG ARG 70 1HG ARG 70 2.984 13.842 -1.541 520 2HG ARG 70 2HG ARG 70 4.477 13.645 -2.371 521 1HD ARG 70 1HD ARG 70 2.403 11.845 -3.449 522 2HD ARG 70 2HD ARG 70 1.991 13.549 -3.368 523 HE ARG 70 HE ARG 70 4.654 13.073 -4.478 524 1HH1 ARG 70 1HH1 ARG 70 1.293 13.030 -5.567 525 2HH1 ARG 70 2HH1 ARG 70 1.751 13.436 -7.196 526 1HH2 ARG 70 1HH2 ARG 70 5.161 13.377 -6.467 527 2HH2 ARG 70 2HH2 ARG 70 3.972 13.641 -7.734 528 H VAL 71 H VAL 71 0.993 9.787 0.166 529 HA VAL 71 HA VAL 71 1.438 7.710 -1.842 530 HB VAL 71 HB VAL 71 -1.068 7.769 -0.164 531 1HG1 VAL 71 1HG1 VAL 71 -0.959 6.092 -2.034 532 2HG1 VAL 71 2HG1 VAL 71 0.566 5.478 -1.374 533 3HG1 VAL 71 3HG1 VAL 71 -0.943 5.322 -0.447 534 1HG2 VAL 71 1HG2 VAL 71 0.229 6.285 1.419 535 2HG2 VAL 71 2HG2 VAL 71 1.711 6.760 0.558 536 3HG2 VAL 71 3HG2 VAL 71 0.746 7.965 1.407 537 H SER 72 H SER 72 0.635 7.409 -3.740 538 HA SER 72 HA SER 72 -1.736 8.935 -4.715 539 1HB SER 72 1HB SER 72 0.749 8.460 -6.364 540 2HB SER 72 2HB SER 72 -0.496 9.686 -6.539 541 HG SER 72 HG SER 72 1.453 9.601 -4.475 542 H ILE 73 H ILE 73 -2.929 7.726 -6.394 543 HA ILE 73 HA ILE 73 -2.276 4.816 -6.625 544 HB ILE 73 HB ILE 73 -4.730 6.471 -7.371 545 1HG1 ILE 73 1HG1 ILE 73 -4.276 4.262 -5.331 546 2HG1 ILE 73 2HG1 ILE 73 -4.317 5.973 -4.917 547 1HG2 ILE 73 1HG2 ILE 73 -4.325 3.453 -7.693 548 2HG2 ILE 73 2HG2 ILE 73 -5.817 4.353 -8.025 549 3HG2 ILE 73 3HG2 ILE 73 -4.418 4.624 -9.029 550 1HD1 ILE 73 1HD1 ILE 73 -6.412 4.901 -4.343 551 2HD1 ILE 73 2HD1 ILE 73 -6.678 6.103 -5.633 552 3HD1 ILE 73 3HD1 ILE 73 -6.637 4.362 -6.005 553 H THR 74 H THR 74 -1.261 4.007 -8.347 554 HA THR 74 HA THR 74 -0.896 5.721 -10.700 555 HB THR 74 HB THR 74 0.361 3.062 -10.834 556 HG1 THR 74 HG1 THR 74 1.897 3.866 -9.174 557 1HG2 THR 74 1HG2 THR 74 1.456 5.901 -10.601 558 2HG2 THR 74 2HG2 THR 74 1.019 5.099 -12.127 559 3HG2 THR 74 3HG2 THR 74 2.357 4.464 -11.154 560 H SER 75 H SER 75 -2.845 5.760 -11.723 561 HA SER 75 HA SER 75 -3.445 3.789 -13.692 562 1HB SER 75 1HB SER 75 -5.275 3.923 -11.263 563 2HB SER 75 2HB SER 75 -5.819 3.357 -12.846 564 HG SER 75 HG SER 75 -3.518 2.250 -11.658 565 H GLU 76 H GLU 76 -5.493 4.553 -14.924 566 HA GLU 76 HA GLU 76 -5.619 7.469 -15.020 567 1HB GLU 76 1HB GLU 76 -5.714 5.959 -17.011 568 2HB GLU 76 2HB GLU 76 -7.274 5.345 -16.455 569 1HG GLU 76 1HG GLU 76 -8.216 7.633 -16.630 570 2HG GLU 76 2HG GLU 76 -6.651 8.244 -17.179 571 H VAL 77 H VAL 77 -6.642 8.456 -13.462 572 HA VAL 77 HA VAL 77 -9.250 7.423 -12.345 573 HB VAL 77 HB VAL 77 -8.518 7.858 -10.039 574 1HG1 VAL 77 1HG1 VAL 77 -7.143 5.914 -9.667 575 2HG1 VAL 77 2HG1 VAL 77 -8.332 5.562 -10.931 576 3HG1 VAL 77 3HG1 VAL 77 -6.639 5.881 -11.365 577 1HG2 VAL 77 1HG2 VAL 77 -6.763 9.534 -10.391 578 2HG2 VAL 77 2HG2 VAL 77 -6.157 8.168 -9.449 579 3HG2 VAL 77 3HG2 VAL 77 -5.728 8.315 -11.163 Start of MODEL 25 1 1H ASN 1 1HT ASN 1 -13.838 -13.722 -7.021 2 HA ASN 1 HA ASN 1 -11.042 -14.553 -7.057 3 1HB ASN 1 1HB ASN 1 -11.795 -14.792 -9.406 4 2HB ASN 1 2HB ASN 1 -12.370 -13.122 -9.398 5 1HD2 ASN 1 1HD2 ASN 1 -9.169 -13.979 -7.867 6 2HD2 ASN 1 2HD2 ASN 1 -8.297 -13.180 -9.138 7 H ASP 2 H ASP 2 -9.697 -12.833 -6.410 8 HA ASP 2 HA ASP 2 -10.970 -10.827 -4.804 9 1HB ASP 2 1HB ASP 2 -8.335 -10.418 -4.378 10 2HB ASP 2 2HB ASP 2 -9.327 -11.536 -3.511 11 H SER 3 H SER 3 -9.706 -8.713 -4.577 12 HA SER 3 HA SER 3 -9.747 -7.323 -7.218 13 1HB SER 3 1HB SER 3 -11.574 -6.729 -5.567 14 2HB SER 3 2HB SER 3 -10.327 -6.084 -4.502 15 HG SER 3 HG SER 3 -11.519 -4.668 -6.088 16 H THR 4 H THR 4 -8.474 -5.133 -6.848 17 HA THR 4 HA THR 4 -5.932 -5.392 -5.462 18 HB THR 4 HB THR 4 -6.136 -6.315 -8.326 19 HG1 THR 4 HG1 THR 4 -5.953 -7.564 -6.265 20 1HG2 THR 4 1HG2 THR 4 -4.373 -4.594 -8.507 21 2HG2 THR 4 2HG2 THR 4 -3.665 -6.213 -8.518 22 3HG2 THR 4 3HG2 THR 4 -3.580 -5.234 -7.040 23 H ALA 5 H ALA 5 -4.664 -3.618 -5.610 24 HA ALA 5 HA ALA 5 -5.163 -1.545 -7.573 25 1HB ALA 5 1HB ALA 5 -5.622 -1.050 -4.607 26 2HB ALA 5 2HB ALA 5 -5.435 0.250 -5.801 27 3HB ALA 5 3HB ALA 5 -6.810 -0.882 -5.916 28 H THR 6 H THR 6 -3.520 0.183 -7.447 29 HA THR 6 HA THR 6 -0.955 -0.666 -6.176 30 HB THR 6 HB THR 6 -1.252 0.707 -8.855 31 HG1 THR 6 HG1 THR 6 -0.737 -1.302 -9.697 32 1HG2 THR 6 1HG2 THR 6 1.141 0.026 -9.103 33 2HG2 THR 6 2HG2 THR 6 1.110 -0.576 -7.425 34 3HG2 THR 6 3HG2 THR 6 0.887 1.151 -7.758 35 H PHE 7 H PHE 7 0.247 0.874 -5.276 36 HA PHE 7 HA PHE 7 -0.687 3.684 -5.282 37 1HB PHE 7 1HB PHE 7 -0.050 2.229 -2.718 38 2HB PHE 7 2HB PHE 7 -0.746 3.822 -2.933 39 HD1 PHE 7 HD1 PHE 7 -3.109 4.196 -3.220 40 HD2 PHE 7 HD2 PHE 7 -1.573 0.130 -3.231 41 HE1 PHE 7 HE1 PHE 7 -5.388 3.299 -3.237 42 HE2 PHE 7 HE2 PHE 7 -3.839 -0.717 -3.216 43 HZ PHE 7 HZ PHE 7 -5.783 0.849 -3.216 44 H ILE 8 H ILE 8 1.010 5.143 -5.175 45 HA ILE 8 HA ILE 8 3.709 4.111 -4.442 46 HB ILE 8 HB ILE 8 3.334 4.502 -6.904 47 1HG1 ILE 8 1HG1 ILE 8 5.297 6.574 -5.846 48 2HG1 ILE 8 2HG1 ILE 8 5.523 4.845 -5.573 49 1HG2 ILE 8 1HG2 ILE 8 2.980 7.429 -6.192 50 2HG2 ILE 8 2HG2 ILE 8 3.138 6.754 -7.825 51 3HG2 ILE 8 3HG2 ILE 8 1.742 6.329 -6.842 52 1HD1 ILE 8 1HD1 ILE 8 5.315 6.132 -8.316 53 2HD1 ILE 8 2HD1 ILE 8 6.793 5.553 -7.531 54 3HD1 ILE 8 3HD1 ILE 8 5.530 4.394 -7.980 55 H ILE 9 H ILE 9 4.910 5.101 -3.093 56 HA ILE 9 HA ILE 9 3.681 7.388 -1.639 57 HB ILE 9 HB ILE 9 5.773 5.472 -0.554 58 1HG1 ILE 9 1HG1 ILE 9 4.110 4.289 0.746 59 2HG1 ILE 9 2HG1 ILE 9 2.835 4.839 -0.258 60 1HG2 ILE 9 1HG2 ILE 9 3.681 7.229 0.769 61 2HG2 ILE 9 2HG2 ILE 9 5.008 6.335 1.553 62 3HG2 ILE 9 3HG2 ILE 9 5.361 7.697 0.496 63 1HD1 ILE 9 1HD1 ILE 9 3.661 2.515 -0.608 64 2HD1 ILE 9 2HD1 ILE 9 3.925 3.448 -2.086 65 3HD1 ILE 9 3HD1 ILE 9 5.281 3.142 -0.947 66 H ASP 10 H ASP 10 4.610 9.139 -2.477 67 HA ASP 10 HA ASP 10 7.560 9.181 -2.724 68 1HB ASP 10 1HB ASP 10 5.315 10.907 -3.571 69 2HB ASP 10 2HB ASP 10 6.773 11.707 -3.073 70 H GLY 11 H GLY 11 8.401 8.847 -0.893 71 1HA GLY 11 1HA GLY 11 9.339 10.638 0.834 72 2HA GLY 11 2HA GLY 11 7.750 10.408 1.557 73 H MET 12 H MET 12 8.216 7.399 0.425 74 HA MET 12 HA MET 12 9.087 6.519 3.044 75 1HB MET 12 1HB MET 12 8.222 4.417 2.506 76 2HB MET 12 2HB MET 12 7.176 5.595 1.884 77 1HG MET 12 1HG MET 12 7.182 3.851 0.353 78 2HG MET 12 2HG MET 12 7.992 5.218 -0.351 79 1HE MET 12 1HE MET 12 9.277 1.140 -0.961 80 2HE MET 12 2HE MET 12 8.294 1.419 0.495 81 3HE MET 12 3HE MET 12 7.727 1.986 -1.092 82 H HIS 13 H HIS 13 10.949 5.729 3.720 83 HA HIS 13 HA HIS 13 13.319 6.461 2.484 84 1HB HIS 13 1HB HIS 13 12.819 4.736 4.911 85 2HB HIS 13 2HB HIS 13 14.398 5.375 4.480 86 HD1 HIS 13 HD1 HIS 13 15.011 7.588 5.618 87 HD2 HIS 13 HD2 HIS 13 10.883 6.908 5.234 88 HE1 HIS 13 HE1 HIS 13 13.843 9.474 6.880 89 H CYS 14 H CYS 14 12.389 4.668 0.628 90 HA CYS 14 HA CYS 14 13.210 3.286 -0.955 91 1HB CYS 14 1HB CYS 14 15.234 4.754 -0.576 92 2HB CYS 14 2HB CYS 14 15.870 3.511 0.513 93 HG CYS 14 HG CYS 14 15.261 3.477 -2.733 94 H LYS 15 H LYS 15 14.647 2.006 2.090 95 HA LYS 15 HA LYS 15 13.917 -0.761 1.134 96 1HB LYS 15 1HB LYS 15 16.255 0.114 2.872 97 2HB LYS 15 2HB LYS 15 15.884 -1.550 2.445 98 1HG LYS 15 1HG LYS 15 16.556 0.564 0.336 99 2HG LYS 15 2HG LYS 15 17.769 -0.330 1.218 100 1HD LYS 15 1HD LYS 15 17.576 -1.436 -0.820 101 2HD LYS 15 2HD LYS 15 16.836 -2.476 0.378 102 1HE LYS 15 1HE LYS 15 15.575 -2.562 -1.674 103 2HE LYS 15 2HE LYS 15 14.571 -1.811 -0.441 104 1HZ LYS 15 1HZ LYS 15 16.108 -0.223 -2.425 105 2HZ LYS 15 2HZ LYS 15 14.858 0.278 -1.451 106 3HZ LYS 15 3HZ LYS 15 14.561 -0.740 -2.663 107 H SER 16 H SER 16 14.524 0.867 4.380 108 HA SER 16 HA SER 16 13.107 -1.196 5.807 109 1HB SER 16 1HB SER 16 12.969 0.632 7.580 110 2HB SER 16 2HB SER 16 14.604 0.243 6.997 111 HG SER 16 HG SER 16 14.184 2.535 7.077 112 H CYS 17 H CYS 17 11.866 1.674 4.185 113 HA CYS 17 HA CYS 17 9.250 1.993 5.137 114 1HB CYS 17 1HB CYS 17 8.937 2.548 2.542 115 2HB CYS 17 2HB CYS 17 10.151 3.448 3.477 116 HG CYS 17 HG CYS 17 11.050 2.811 1.045 117 H VAL 18 H VAL 18 10.368 -0.189 2.610 118 HA VAL 18 HA VAL 18 8.056 -1.417 1.826 119 HB VAL 18 HB VAL 18 10.857 -2.633 2.155 120 1HG1 VAL 18 1HG1 VAL 18 9.435 -4.528 1.895 121 2HG1 VAL 18 2HG1 VAL 18 8.570 -3.767 0.559 122 3HG1 VAL 18 3HG1 VAL 18 10.263 -4.254 0.368 123 1HG2 VAL 18 1HG2 VAL 18 11.006 -2.134 -0.345 124 2HG2 VAL 18 2HG2 VAL 18 9.580 -1.110 -0.128 125 3HG2 VAL 18 3HG2 VAL 18 11.066 -0.758 0.751 126 H SER 19 H SER 19 10.220 -2.607 4.425 127 HA SER 19 HA SER 19 8.619 -4.941 5.012 128 1HB SER 19 1HB SER 19 11.039 -4.610 5.631 129 2HB SER 19 2HB SER 19 10.590 -3.340 6.766 130 HG SER 19 HG SER 19 9.200 -5.137 7.731 131 H ASN 20 H ASN 20 8.353 -1.571 6.187 132 HA ASN 20 HA ASN 20 6.329 -2.206 8.213 133 1HB ASN 20 1HB ASN 20 6.757 0.360 6.683 134 2HB ASN 20 2HB ASN 20 5.720 0.165 8.036 135 1HD2 ASN 20 1HD2 ASN 20 9.139 0.291 7.086 136 2HD2 ASN 20 2HD2 ASN 20 9.559 0.897 8.681 137 H ILE 21 H ILE 21 6.270 -1.112 4.757 138 HA ILE 21 HA ILE 21 3.389 -0.778 4.811 139 HB ILE 21 HB ILE 21 4.721 -1.185 2.152 140 1HG1 ILE 21 1HG1 ILE 21 5.664 0.939 4.056 141 2HG1 ILE 21 2HG1 ILE 21 6.464 0.028 2.803 142 1HG2 ILE 21 1HG2 ILE 21 2.322 -0.684 2.394 143 2HG2 ILE 21 2HG2 ILE 21 2.719 0.834 3.221 144 3HG2 ILE 21 3HG2 ILE 21 3.155 0.585 1.510 145 1HD1 ILE 21 1HD1 ILE 21 6.403 2.342 2.169 146 2HD1 ILE 21 2HD1 ILE 21 5.518 1.327 1.015 147 3HD1 ILE 21 3HD1 ILE 21 4.633 2.333 2.181 148 H GLU 22 H GLU 22 5.432 -3.351 3.454 149 HA GLU 22 HA GLU 22 3.449 -5.154 2.583 150 1HB GLU 22 1HB GLU 22 6.242 -5.496 3.756 151 2HB GLU 22 2HB GLU 22 5.331 -6.840 3.140 152 1HG GLU 22 1HG GLU 22 5.059 -5.064 1.030 153 2HG GLU 22 2HG GLU 22 6.590 -4.550 1.671 154 H SER 23 H SER 23 4.902 -4.847 5.881 155 HA SER 23 HA SER 23 3.192 -6.826 7.046 156 1HB SER 23 1HB SER 23 4.661 -4.439 8.298 157 2HB SER 23 2HB SER 23 3.953 -5.800 9.207 158 HG SER 23 HG SER 23 6.233 -5.667 7.612 159 H THR 24 H THR 24 2.890 -3.290 7.149 160 HA THR 24 HA THR 24 0.708 -3.304 9.009 161 HB THR 24 HB THR 24 1.730 -1.011 7.239 162 HG1 THR 24 HG1 THR 24 3.319 -1.778 8.506 163 1HG2 THR 24 1HG2 THR 24 -0.490 -0.515 8.213 164 2HG2 THR 24 2HG2 THR 24 0.770 0.402 9.043 165 3HG2 THR 24 3HG2 THR 24 0.078 -1.042 9.814 166 H LEU 25 H LEU 25 0.865 -3.137 5.464 167 HA LEU 25 HA LEU 25 -2.059 -2.967 5.256 168 1HB LEU 25 1HB LEU 25 0.073 -3.714 3.252 169 2HB LEU 25 2HB LEU 25 -1.653 -3.612 2.915 170 HG LEU 25 HG LEU 25 0.312 -1.368 3.444 171 1HD1 LEU 25 1HD1 LEU 25 -1.941 -1.951 1.484 172 2HD1 LEU 25 2HD1 LEU 25 -0.184 -1.942 1.140 173 3HD1 LEU 25 3HD1 LEU 25 -1.052 -0.448 1.493 174 1HD2 LEU 25 1HD2 LEU 25 -1.545 -0.840 5.035 175 2HD2 LEU 25 2HD2 LEU 25 -2.693 -1.003 3.671 176 3HD2 LEU 25 3HD2 LEU 25 -1.468 0.272 3.683 177 H SER 26 H SER 26 0.372 -5.744 5.054 178 HA SER 26 HA SER 26 -1.773 -7.522 4.264 179 1HB SER 26 1HB SER 26 0.613 -7.870 3.696 180 2HB SER 26 2HB SER 26 0.950 -8.243 5.382 181 HG SER 26 HG SER 26 -0.714 -9.878 5.170 182 H ALA 27 H ALA 27 -1.908 -6.081 6.947 183 HA ALA 27 HA ALA 27 -2.754 -8.367 8.683 184 1HB ALA 27 1HB ALA 27 -0.880 -7.034 9.644 185 2HB ALA 27 2HB ALA 27 -1.830 -5.548 9.450 186 3HB ALA 27 3HB ALA 27 -2.374 -6.810 10.580 187 H LEU 28 H LEU 28 -3.931 -6.010 6.520 188 HA LEU 28 HA LEU 28 -6.077 -5.005 8.182 189 1HB LEU 28 1HB LEU 28 -5.587 -4.887 5.178 190 2HB LEU 28 2HB LEU 28 -6.897 -4.057 6.012 191 HG LEU 28 HG LEU 28 -3.973 -3.569 6.721 192 1HD1 LEU 28 1HD1 LEU 28 -4.417 -3.017 4.292 193 2HD1 LEU 28 2HD1 LEU 28 -3.973 -1.650 5.327 194 3HD1 LEU 28 3HD1 LEU 28 -5.653 -1.854 4.852 195 1HD2 LEU 28 1HD2 LEU 28 -6.513 -1.958 7.152 196 2HD2 LEU 28 2HD2 LEU 28 -4.849 -1.451 7.580 197 3HD2 LEU 28 3HD2 LEU 28 -5.592 -2.831 8.406 198 H GLN 29 H GLN 29 -7.963 -6.033 8.555 199 HA GLN 29 HA GLN 29 -8.207 -8.755 7.919 200 1HB GLN 29 1HB GLN 29 -10.234 -6.749 8.986 201 2HB GLN 29 2HB GLN 29 -10.524 -8.496 8.934 202 1HG GLN 29 1HG GLN 29 -8.676 -8.965 10.410 203 2HG GLN 29 2HG GLN 29 -8.066 -7.318 10.303 204 1HE2 GLN 29 1HE2 GLN 29 -8.085 -7.289 12.671 205 2HE2 GLN 29 2HE2 GLN 29 -9.642 -6.991 13.457 206 H TYR 30 H TYR 30 -9.148 -6.175 5.834 207 HA TYR 30 HA TYR 30 -10.779 -8.003 4.163 208 1HB TYR 30 1HB TYR 30 -10.984 -5.952 2.711 209 2HB TYR 30 2HB TYR 30 -11.764 -5.927 4.278 210 HD1 TYR 30 HD1 TYR 30 -8.110 -5.025 3.445 211 HD2 TYR 30 HD2 TYR 30 -11.992 -3.714 4.832 212 HE1 TYR 30 HE1 TYR 30 -7.239 -2.790 3.777 213 HE2 TYR 30 HE2 TYR 30 -11.070 -1.443 5.220 214 HH TYR 30 HH TYR 30 -7.662 -0.622 4.486 215 H VAL 31 H VAL 31 -7.393 -7.478 4.400 216 HA VAL 31 HA VAL 31 -7.109 -7.477 1.445 217 HB VAL 31 HB VAL 31 -5.820 -5.700 2.737 218 1HG1 VAL 31 1HG1 VAL 31 -3.680 -6.216 3.390 219 2HG1 VAL 31 2HG1 VAL 31 -4.895 -6.899 4.492 220 3HG1 VAL 31 3HG1 VAL 31 -3.998 -7.974 3.363 221 1HG2 VAL 31 1HG2 VAL 31 -3.853 -5.901 1.238 222 2HG2 VAL 31 2HG2 VAL 31 -4.142 -7.614 1.012 223 3HG2 VAL 31 3HG2 VAL 31 -5.270 -6.419 0.321 224 H SER 32 H SER 32 -6.114 -9.187 0.359 225 HA SER 32 HA SER 32 -5.826 -11.686 1.992 226 1HB SER 32 1HB SER 32 -7.644 -11.338 0.183 227 2HB SER 32 2HB SER 32 -6.328 -11.553 -0.988 228 HG SER 32 HG SER 32 -6.208 -13.616 -0.422 229 H SER 33 H SER 33 -3.988 -9.426 0.106 230 HA SER 33 HA SER 33 -1.472 -10.736 0.368 231 1HB SER 33 1HB SER 33 -3.032 -11.194 -2.137 232 2HB SER 33 2HB SER 33 -1.307 -11.020 -2.276 233 HG SER 33 HG SER 33 -2.574 -12.782 -0.447 234 H ILE 34 H ILE 34 0.119 -9.733 -1.150 235 HA ILE 34 HA ILE 34 -0.077 -7.058 -2.130 236 HB ILE 34 HB ILE 34 -0.503 -6.566 0.273 237 1HG1 ILE 34 1HG1 ILE 34 2.302 -5.614 -0.414 238 2HG1 ILE 34 2HG1 ILE 34 0.848 -5.008 -1.216 239 1HG2 ILE 34 1HG2 ILE 34 1.250 -6.951 1.975 240 2HG2 ILE 34 2HG2 ILE 34 0.659 -8.479 1.321 241 3HG2 ILE 34 3HG2 ILE 34 2.230 -7.827 0.805 242 1HD1 ILE 34 1HD1 ILE 34 1.437 -4.802 1.763 243 2HD1 ILE 34 2HD1 ILE 34 1.481 -3.500 0.569 244 3HD1 ILE 34 3HD1 ILE 34 -0.063 -4.296 0.971 245 H VAL 35 H VAL 35 1.859 -6.345 -2.923 246 HA VAL 35 HA VAL 35 4.423 -7.650 -2.269 247 HB VAL 35 HB VAL 35 3.289 -7.412 -5.088 248 1HG1 VAL 35 1HG1 VAL 35 5.480 -6.373 -5.304 249 2HG1 VAL 35 2HG1 VAL 35 6.239 -7.677 -4.362 250 3HG1 VAL 35 3HG1 VAL 35 5.563 -7.995 -5.973 251 1HG2 VAL 35 1HG2 VAL 35 3.015 -9.619 -3.988 252 2HG2 VAL 35 2HG2 VAL 35 4.289 -9.783 -5.205 253 3HG2 VAL 35 3HG2 VAL 35 4.729 -9.576 -3.485 254 H VAL 36 H VAL 36 5.840 -6.103 -1.912 255 HA VAL 36 HA VAL 36 5.307 -3.372 -3.073 256 HB VAL 36 HB VAL 36 6.940 -4.265 -0.732 257 1HG1 VAL 36 1HG1 VAL 36 8.414 -2.625 -1.742 258 2HG1 VAL 36 2HG1 VAL 36 7.043 -1.521 -2.046 259 3HG1 VAL 36 3HG1 VAL 36 7.534 -1.887 -0.386 260 1HG2 VAL 36 1HG2 VAL 36 4.433 -3.686 -0.616 261 2HG2 VAL 36 2HG2 VAL 36 5.485 -2.683 0.419 262 3HG2 VAL 36 3HG2 VAL 36 4.896 -2.058 -1.131 263 H SER 37 H SER 37 6.640 -2.209 -4.179 264 HA SER 37 HA SER 37 8.383 -3.622 -6.091 265 1HB SER 37 1HB SER 37 7.935 -0.626 -6.007 266 2HB SER 37 2HB SER 37 8.362 -1.672 -7.370 267 HG SER 37 HG SER 37 5.904 -1.661 -5.937 268 H LEU 38 H LEU 38 9.991 -4.210 -4.550 269 HA LEU 38 HA LEU 38 11.374 -2.629 -2.773 270 1HB LEU 38 1HB LEU 38 11.761 -5.241 -4.126 271 2HB LEU 38 2HB LEU 38 13.294 -4.504 -3.707 272 HG LEU 38 HG LEU 38 11.032 -4.800 -1.700 273 1HD1 LEU 38 1HD1 LEU 38 13.377 -6.689 -2.193 274 2HD1 LEU 38 2HD1 LEU 38 11.663 -7.040 -2.505 275 3HD1 LEU 38 3HD1 LEU 38 12.221 -6.790 -0.843 276 1HD2 LEU 38 1HD2 LEU 38 12.861 -3.125 -1.190 277 2HD2 LEU 38 2HD2 LEU 38 14.049 -4.429 -1.332 278 3HD2 LEU 38 3HD2 LEU 38 12.827 -4.474 -0.042 279 H GLU 39 H GLU 39 12.018 -2.776 -6.210 280 HA GLU 39 HA GLU 39 14.370 -1.059 -6.041 281 1HB GLU 39 1HB GLU 39 12.844 -2.390 -8.278 282 2HB GLU 39 2HB GLU 39 14.187 -1.282 -8.588 283 1HG GLU 39 1HG GLU 39 15.794 -2.674 -7.584 284 2HG GLU 39 2HG GLU 39 14.610 -3.575 -6.647 285 H ASN 40 H ASN 40 11.268 -0.307 -5.691 286 HA ASN 40 HA ASN 40 11.455 2.435 -6.807 287 1HB ASN 40 1HB ASN 40 9.505 0.289 -7.549 288 2HB ASN 40 2HB ASN 40 8.824 1.889 -7.297 289 1HD2 ASN 40 1HD2 ASN 40 11.916 0.727 -8.732 290 2HD2 ASN 40 2HD2 ASN 40 11.685 1.509 -10.248 291 H ARG 41 H ARG 41 9.026 3.403 -5.969 292 HA ARG 41 HA ARG 41 9.034 2.915 -3.032 293 1HB ARG 41 1HB ARG 41 8.616 5.141 -2.523 294 2HB ARG 41 2HB ARG 41 10.078 5.037 -3.460 295 1HG ARG 41 1HG ARG 41 7.399 5.974 -4.577 296 2HG ARG 41 2HG ARG 41 8.617 7.009 -3.848 297 1HD ARG 41 1HD ARG 41 10.250 6.224 -5.614 298 2HD ARG 41 2HD ARG 41 8.849 5.525 -6.464 299 HE ARG 41 HE ARG 41 8.024 8.081 -5.818 300 1HH1 ARG 41 1HH1 ARG 41 10.740 6.985 -7.791 301 2HH1 ARG 41 2HH1 ARG 41 10.927 8.570 -8.507 302 1HH2 ARG 41 1HH2 ARG 41 8.388 10.011 -6.584 303 2HH2 ARG 41 2HH2 ARG 41 9.531 10.298 -7.858 304 H SER 42 H SER 42 7.411 1.397 -4.803 305 HA SER 42 HA SER 42 4.659 2.308 -4.054 306 1HB SER 42 1HB SER 42 4.039 1.222 -6.356 307 2HB SER 42 2HB SER 42 4.722 2.831 -6.316 308 HG SER 42 HG SER 42 5.981 0.407 -7.085 309 H ALA 43 H ALA 43 2.984 0.780 -4.089 310 HA ALA 43 HA ALA 43 3.741 -2.063 -3.459 311 1HB ALA 43 1HB ALA 43 1.658 -0.281 -2.078 312 2HB ALA 43 2HB ALA 43 2.126 -1.935 -1.626 313 3HB ALA 43 3HB ALA 43 3.266 -0.590 -1.412 314 H ILE 44 H ILE 44 2.462 -3.561 -4.308 315 HA ILE 44 HA ILE 44 -0.024 -2.826 -5.812 316 HB ILE 44 HB ILE 44 1.897 -5.155 -6.236 317 1HG1 ILE 44 1HG1 ILE 44 1.221 -2.857 -8.136 318 2HG1 ILE 44 2HG1 ILE 44 2.646 -2.839 -7.099 319 1HG2 ILE 44 1HG2 ILE 44 -0.693 -4.394 -7.684 320 2HG2 ILE 44 2HG2 ILE 44 0.382 -5.742 -8.122 321 3HG2 ILE 44 3HG2 ILE 44 -0.483 -5.781 -6.593 322 1HD1 ILE 44 1HD1 ILE 44 2.076 -4.840 -9.318 323 2HD1 ILE 44 2HD1 ILE 44 3.305 -3.567 -9.289 324 3HD1 ILE 44 3HD1 ILE 44 3.442 -4.946 -8.181 325 H VAL 45 H VAL 45 -1.737 -3.401 -4.631 326 HA VAL 45 HA VAL 45 -1.383 -5.296 -2.324 327 HB VAL 45 HB VAL 45 -3.214 -2.882 -2.515 328 1HG1 VAL 45 1HG1 VAL 45 -3.286 -3.176 -0.003 329 2HG1 VAL 45 2HG1 VAL 45 -3.949 -4.561 -0.871 330 3HG1 VAL 45 3HG1 VAL 45 -2.312 -4.646 -0.181 331 1HG2 VAL 45 1HG2 VAL 45 -1.686 -1.675 -1.021 332 2HG2 VAL 45 2HG2 VAL 45 -0.507 -3.002 -1.135 333 3HG2 VAL 45 3HG2 VAL 45 -0.910 -2.027 -2.559 334 H VAL 46 H VAL 46 -2.950 -6.871 -2.054 335 HA VAL 46 HA VAL 46 -5.057 -7.056 -4.179 336 HB VAL 46 HB VAL 46 -3.367 -9.244 -2.921 337 1HG1 VAL 46 1HG1 VAL 46 -5.196 -9.472 -5.336 338 2HG1 VAL 46 2HG1 VAL 46 -4.232 -10.759 -4.563 339 3HG1 VAL 46 3HG1 VAL 46 -5.601 -10.043 -3.704 340 1HG2 VAL 46 1HG2 VAL 46 -2.227 -9.487 -5.104 341 2HG2 VAL 46 2HG2 VAL 46 -2.990 -7.980 -5.645 342 3HG2 VAL 46 3HG2 VAL 46 -1.859 -7.974 -4.281 343 H TYR 47 H TYR 47 -7.001 -6.819 -3.182 344 HA TYR 47 HA TYR 47 -7.358 -7.899 -0.415 345 1HB TYR 47 1HB TYR 47 -8.555 -5.970 0.263 346 2HB TYR 47 2HB TYR 47 -7.051 -5.417 -0.437 347 HD1 TYR 47 HD1 TYR 47 -10.684 -5.356 -0.689 348 HD2 TYR 47 HD2 TYR 47 -7.004 -4.398 -2.719 349 HE1 TYR 47 HE1 TYR 47 -11.933 -3.935 -2.310 350 HE2 TYR 47 HE2 TYR 47 -8.226 -2.894 -4.260 351 HH TYR 47 HH TYR 47 -11.787 -2.932 -4.379 352 H ASN 48 H ASN 48 -9.689 -8.157 0.251 353 HA ASN 48 HA ASN 48 -11.031 -9.621 -1.967 354 1HB ASN 48 1HB ASN 48 -10.387 -10.727 0.196 355 2HB ASN 48 2HB ASN 48 -11.601 -9.740 1.018 356 1HD2 ASN 48 1HD2 ASN 48 -11.306 -12.747 0.374 357 2HD2 ASN 48 2HD2 ASN 48 -12.868 -13.145 -0.337 358 H ALA 49 H ALA 49 -12.714 -8.734 -2.982 359 HA ALA 49 HA ALA 49 -15.003 -7.653 -1.764 360 1HB ALA 49 1HB ALA 49 -13.246 -5.573 -3.142 361 2HB ALA 49 2HB ALA 49 -14.919 -5.303 -2.611 362 3HB ALA 49 3HB ALA 49 -13.659 -5.577 -1.407 363 H SER 50 H SER 50 -16.696 -7.167 -3.402 364 HA SER 50 HA SER 50 -16.180 -8.291 -6.083 365 1HB SER 50 1HB SER 50 -18.584 -8.265 -6.270 366 2HB SER 50 2HB SER 50 -18.171 -8.965 -4.702 367 HG SER 50 HG SER 50 -19.238 -6.430 -5.320 368 H SER 51 H SER 51 -14.961 -5.639 -5.232 369 HA SER 51 HA SER 51 -15.809 -4.026 -7.425 370 1HB SER 51 1HB SER 51 -17.720 -3.664 -5.828 371 2HB SER 51 2HB SER 51 -16.574 -2.916 -4.706 372 HG SER 51 HG SER 51 -17.763 -1.464 -6.164 373 H VAL 52 H VAL 52 -15.033 -1.613 -6.884 374 HA VAL 52 HA VAL 52 -12.107 -1.762 -6.260 375 HB VAL 52 HB VAL 52 -13.573 -0.135 -8.366 376 1HG1 VAL 52 1HG1 VAL 52 -11.790 1.276 -7.494 377 2HG1 VAL 52 2HG1 VAL 52 -10.630 -0.077 -7.544 378 3HG1 VAL 52 3HG1 VAL 52 -11.268 0.629 -9.046 379 1HG2 VAL 52 1HG2 VAL 52 -11.482 -2.348 -8.588 380 2HG2 VAL 52 2HG2 VAL 52 -13.200 -2.481 -9.025 381 3HG2 VAL 52 3HG2 VAL 52 -12.140 -1.411 -9.946 382 H THR 53 H THR 53 -11.828 -0.883 -4.336 383 HA THR 53 HA THR 53 -12.773 1.864 -3.757 384 HB THR 53 HB THR 53 -13.110 -0.372 -1.731 385 HG1 THR 53 HG1 THR 53 -15.345 0.252 -2.064 386 1HG2 THR 53 1HG2 THR 53 -14.348 1.387 -0.469 387 2HG2 THR 53 2HG2 THR 53 -13.921 2.581 -1.715 388 3HG2 THR 53 3HG2 THR 53 -12.663 1.855 -0.695 389 HA PRO 54 HA PRO 54 -8.321 0.757 -2.968 390 1HB PRO 54 1HB PRO 54 -7.065 2.564 -4.561 391 2HB PRO 54 2HB PRO 54 -7.888 1.130 -5.229 392 1HG PRO 54 1HG PRO 54 -9.014 3.942 -4.976 393 2HG PRO 54 2HG PRO 54 -8.939 2.909 -6.444 394 1HD PRO 54 1HD PRO 54 -11.164 2.997 -4.885 395 2HD PRO 54 2HD PRO 54 -10.606 1.467 -5.628 396 H GLU 55 H GLU 55 -10.035 3.796 -2.571 397 HA GLU 55 HA GLU 55 -8.138 5.480 -1.463 398 1HB GLU 55 1HB GLU 55 -10.397 6.116 -2.149 399 2HB GLU 55 2HB GLU 55 -11.096 5.132 -0.872 400 1HG GLU 55 1HG GLU 55 -11.285 7.408 -0.243 401 2HG GLU 55 2HG GLU 55 -10.134 6.651 0.842 402 H SER 56 H SER 56 -9.809 2.770 0.290 403 HA SER 56 HA SER 56 -8.991 3.613 2.897 404 1HB SER 56 1HB SER 56 -9.533 0.779 2.034 405 2HB SER 56 2HB SER 56 -9.892 1.563 3.572 406 HG SER 56 HG SER 56 -11.760 1.226 2.239 407 H LEU 57 H LEU 57 -7.489 1.571 0.384 408 HA LEU 57 HA LEU 57 -5.405 0.520 2.183 409 1HB LEU 57 1HB LEU 57 -5.553 0.626 -0.836 410 2HB LEU 57 2HB LEU 57 -4.345 -0.238 0.096 411 HG LEU 57 HG LEU 57 -7.317 -0.901 -0.123 412 1HD1 LEU 57 1HD1 LEU 57 -6.077 -3.047 -1.132 413 2HD1 LEU 57 2HD1 LEU 57 -4.750 -1.905 -1.361 414 3HD1 LEU 57 3HD1 LEU 57 -6.304 -1.583 -2.135 415 1HD2 LEU 57 1HD2 LEU 57 -6.860 -2.987 1.074 416 2HD2 LEU 57 2HD2 LEU 57 -6.467 -1.596 2.110 417 3HD2 LEU 57 3HD2 LEU 57 -5.168 -2.535 1.337 418 H ARG 58 H ARG 58 -5.670 3.117 -0.316 419 HA ARG 58 HA ARG 58 -3.120 4.227 -0.148 420 1HB ARG 58 1HB ARG 58 -5.022 4.831 -1.710 421 2HB ARG 58 2HB ARG 58 -5.830 5.604 -0.393 422 1HG ARG 58 1HG ARG 58 -3.418 6.863 -0.275 423 2HG ARG 58 2HG ARG 58 -3.487 6.482 -1.996 424 1HD ARG 58 1HD ARG 58 -4.672 8.373 -2.233 425 2HD ARG 58 2HD ARG 58 -6.035 7.497 -1.539 426 HE ARG 58 HE ARG 58 -4.320 8.639 0.532 427 1HH1 ARG 58 1HH1 ARG 58 -7.235 9.308 -1.266 428 2HH1 ARG 58 2HH1 ARG 58 -7.372 10.905 -0.682 429 1HH2 ARG 58 1HH2 ARG 58 -4.530 10.524 1.371 430 2HH2 ARG 58 2HH2 ARG 58 -5.748 11.696 0.838 431 H LYS 59 H LYS 59 -6.020 5.072 1.839 432 HA LYS 59 HA LYS 59 -4.748 6.730 3.743 433 1HB LYS 59 1HB LYS 59 -7.295 5.189 3.461 434 2HB LYS 59 2HB LYS 59 -6.791 5.438 5.108 435 1HG LYS 59 1HG LYS 59 -8.303 7.185 4.325 436 2HG LYS 59 2HG LYS 59 -6.745 7.810 4.885 437 1HD LYS 59 1HD LYS 59 -6.009 8.096 2.537 438 2HD LYS 59 2HD LYS 59 -7.554 7.490 1.956 439 1HE LYS 59 1HE LYS 59 -7.249 9.876 3.846 440 2HE LYS 59 2HE LYS 59 -7.243 10.033 2.081 441 1HZ LYS 59 1HZ LYS 59 -9.461 10.394 3.052 442 2HZ LYS 59 2HZ LYS 59 -9.507 8.788 3.493 443 3HZ LYS 59 3HZ LYS 59 -9.391 9.233 1.915 444 H ALA 60 H ALA 60 -4.989 3.097 3.802 445 HA ALA 60 HA ALA 60 -3.912 2.926 6.475 446 1HB ALA 60 1HB ALA 60 -5.238 1.139 5.417 447 2HB ALA 60 2HB ALA 60 -3.976 0.907 4.187 448 3HB ALA 60 3HB ALA 60 -3.632 0.551 5.897 449 H ILE 61 H ILE 61 -2.368 2.962 3.245 450 HA ILE 61 HA ILE 61 0.313 2.634 4.251 451 HB ILE 61 HB ILE 61 -0.535 4.123 1.732 452 1HG1 ILE 61 1HG1 ILE 61 0.208 1.216 2.072 453 2HG1 ILE 61 2HG1 ILE 61 -1.400 1.803 1.778 454 1HG2 ILE 61 1HG2 ILE 61 2.095 3.014 2.800 455 2HG2 ILE 61 2HG2 ILE 61 1.863 3.263 1.070 456 3HG2 ILE 61 3HG2 ILE 61 1.743 4.625 2.139 457 1HD1 ILE 61 1HD1 ILE 61 -0.622 2.835 -0.389 458 2HD1 ILE 61 2HD1 ILE 61 0.873 1.887 -0.215 459 3HD1 ILE 61 3HD1 ILE 61 -0.685 1.066 -0.329 460 H GLU 62 H GLU 62 -1.577 5.676 3.496 461 HA GLU 62 HA GLU 62 0.358 7.469 4.495 462 1HB GLU 62 1HB GLU 62 -2.680 7.711 4.429 463 2HB GLU 62 2HB GLU 62 -1.560 9.007 4.874 464 1HG GLU 62 1HG GLU 62 -0.483 8.948 2.708 465 2HG GLU 62 2HG GLU 62 -1.524 7.590 2.231 466 H ALA 63 H ALA 63 -1.629 5.247 6.356 467 HA ALA 63 HA ALA 63 -1.121 6.697 8.853 468 1HB ALA 63 1HB ALA 63 -3.350 5.656 8.367 469 2HB ALA 63 2HB ALA 63 -2.560 4.058 8.336 470 3HB ALA 63 3HB ALA 63 -2.596 5.004 9.835 471 H VAL 64 H VAL 64 0.871 4.821 7.116 472 HA VAL 64 HA VAL 64 2.005 3.389 9.471 473 HB VAL 64 HB VAL 64 1.812 2.355 7.022 474 1HG1 VAL 64 1HG1 VAL 64 4.572 3.439 6.752 475 2HG1 VAL 64 2HG1 VAL 64 3.644 2.338 5.699 476 3HG1 VAL 64 3HG1 VAL 64 3.119 4.029 5.916 477 1HG2 VAL 64 1HG2 VAL 64 3.653 0.840 7.658 478 2HG2 VAL 64 2HG2 VAL 64 4.419 2.113 8.649 479 3HG2 VAL 64 3HG2 VAL 64 2.905 1.354 9.184 480 H SER 65 H SER 65 2.700 6.034 7.222 481 HA SER 65 HA SER 65 4.312 7.218 9.339 482 1HB SER 65 1HB SER 65 5.738 7.480 6.771 483 2HB SER 65 2HB SER 65 6.241 7.391 8.460 484 HG SER 65 HG SER 65 5.614 5.078 8.270 485 HA PRO 66 HA PRO 66 1.232 9.968 7.247 486 1HB PRO 66 1HB PRO 66 0.367 11.103 9.689 487 2HB PRO 66 2HB PRO 66 -0.417 9.775 8.791 488 1HG PRO 66 1HG PRO 66 1.534 9.597 11.094 489 2HG PRO 66 2HG PRO 66 0.046 8.632 10.809 490 1HD PRO 66 1HD PRO 66 2.426 7.538 10.217 491 2HD PRO 66 2HD PRO 66 1.118 7.370 9.075 492 H GLY 67 H GLY 67 1.448 12.038 6.716 493 1HA GLY 67 1HA GLY 67 2.260 14.255 6.717 494 2HA GLY 67 2HA GLY 67 3.329 13.863 8.091 495 H LEU 68 H LEU 68 4.502 11.543 6.932 496 HA LEU 68 HA LEU 68 6.532 12.686 5.113 497 1HB LEU 68 1HB LEU 68 7.134 11.280 7.031 498 2HB LEU 68 2HB LEU 68 6.133 9.977 6.412 499 HG LEU 68 HG LEU 68 7.620 9.837 4.375 500 1HD1 LEU 68 1HD1 LEU 68 9.319 11.768 6.003 501 2HD1 LEU 68 2HD1 LEU 68 8.619 12.071 4.390 502 3HD1 LEU 68 3HD1 LEU 68 9.885 10.843 4.596 503 1HD2 LEU 68 1HD2 LEU 68 7.810 8.352 6.339 504 2HD2 LEU 68 2HD2 LEU 68 8.940 9.504 7.087 505 3HD2 LEU 68 3HD2 LEU 68 9.374 8.663 5.577 506 H TYR 69 H TYR 69 4.041 10.133 5.009 507 HA TYR 69 HA TYR 69 4.846 9.210 2.422 508 1HB TYR 69 1HB TYR 69 2.668 8.553 4.419 509 2HB TYR 69 2HB TYR 69 2.592 7.903 2.806 510 HD1 TYR 69 HD1 TYR 69 5.982 8.257 4.332 511 HD2 TYR 69 HD2 TYR 69 2.622 5.662 3.656 512 HE1 TYR 69 HE1 TYR 69 7.367 6.291 4.844 513 HE2 TYR 69 HE2 TYR 69 4.041 3.709 3.827 514 HH TYR 69 HH TYR 69 7.319 4.011 5.235 515 H ARG 70 H ARG 70 4.572 10.590 0.614 516 HA ARG 70 HA ARG 70 1.949 11.660 0.007 517 1HB ARG 70 1HB ARG 70 4.143 12.652 -0.776 518 2HB ARG 70 2HB ARG 70 4.270 11.326 -1.849 519 1HG ARG 70 1HG ARG 70 3.491 13.342 -2.921 520 2HG ARG 70 2HG ARG 70 2.479 11.947 -3.224 521 1HD ARG 70 1HD ARG 70 1.823 14.021 -1.104 522 2HD ARG 70 2HD ARG 70 1.410 14.183 -2.808 523 HE ARG 70 HE ARG 70 0.099 12.089 -2.666 524 1HH1 ARG 70 1HH1 ARG 70 0.588 13.863 0.385 525 2HH1 ARG 70 2HH1 ARG 70 -0.683 12.951 1.169 526 1HH2 ARG 70 1HH2 ARG 70 -1.468 10.954 -1.504 527 2HH2 ARG 70 2HH2 ARG 70 -1.770 11.353 0.161 528 H VAL 71 H VAL 71 0.785 9.562 0.284 529 HA VAL 71 HA VAL 71 1.262 7.488 -1.688 530 HB VAL 71 HB VAL 71 -1.175 7.637 0.073 531 1HG1 VAL 71 1HG1 VAL 71 -1.282 5.933 -1.771 532 2HG1 VAL 71 2HG1 VAL 71 0.287 5.292 -1.252 533 3HG1 VAL 71 3HG1 VAL 71 -1.129 5.168 -0.192 534 1HG2 VAL 71 1HG2 VAL 71 0.910 7.791 1.426 535 2HG2 VAL 71 2HG2 VAL 71 0.168 6.212 1.624 536 3HG2 VAL 71 3HG2 VAL 71 1.577 6.403 0.566 537 H SER 72 H SER 72 0.613 7.275 -3.640 538 HA SER 72 HA SER 72 -1.826 8.695 -4.643 539 1HB SER 72 1HB SER 72 0.734 8.418 -6.195 540 2HB SER 72 2HB SER 72 -0.553 9.602 -6.354 541 HG SER 72 HG SER 72 1.504 9.496 -4.410 542 H ILE 73 H ILE 73 -2.983 7.663 -6.303 543 HA ILE 73 HA ILE 73 -2.382 4.769 -6.792 544 HB ILE 73 HB ILE 73 -4.798 6.467 -7.512 545 1HG1 ILE 73 1HG1 ILE 73 -4.564 4.313 -5.375 546 2HG1 ILE 73 2HG1 ILE 73 -4.439 6.031 -5.010 547 1HG2 ILE 73 1HG2 ILE 73 -4.434 4.532 -9.065 548 2HG2 ILE 73 2HG2 ILE 73 -4.397 3.438 -7.665 549 3HG2 ILE 73 3HG2 ILE 73 -5.876 4.317 -8.092 550 1HD1 ILE 73 1HD1 ILE 73 -6.670 5.293 -4.504 551 2HD1 ILE 73 2HD1 ILE 73 -6.725 6.408 -5.885 552 3HD1 ILE 73 3HD1 ILE 73 -6.894 4.655 -6.140 553 H THR 74 H THR 74 -0.979 4.341 -8.248 554 HA THR 74 HA THR 74 -0.790 5.978 -10.694 555 HB THR 74 HB THR 74 1.306 5.416 -9.761 556 HG1 THR 74 HG1 THR 74 1.247 5.280 -11.986 557 1HG2 THR 74 1HG2 THR 74 2.148 3.114 -9.536 558 2HG2 THR 74 2HG2 THR 74 0.531 2.479 -9.892 559 3HG2 THR 74 3HG2 THR 74 0.819 3.434 -8.412 560 H SER 75 H SER 75 -2.051 5.626 -12.323 561 HA SER 75 HA SER 75 -2.345 2.985 -13.540 562 1HB SER 75 1HB SER 75 -4.741 4.667 -12.693 563 2HB SER 75 2HB SER 75 -4.822 3.317 -13.817 564 HG SER 75 HG SER 75 -3.557 2.829 -11.348 565 H GLU 76 H GLU 76 -3.453 3.320 -15.761 566 HA GLU 76 HA GLU 76 -2.727 5.932 -16.950 567 1HB GLU 76 1HB GLU 76 -1.918 4.028 -18.159 568 2HB GLU 76 2HB GLU 76 -3.470 3.235 -18.130 569 1HG GLU 76 1HG GLU 76 -3.544 5.944 -19.401 570 2HG GLU 76 2HG GLU 76 -2.378 4.869 -20.159 571 H VAL 77 H VAL 77 -4.227 7.339 -17.207 572 HA VAL 77 HA VAL 77 -7.151 6.731 -17.223 573 HB VAL 77 HB VAL 77 -6.970 8.949 -15.521 574 1HG1 VAL 77 1HG1 VAL 77 -7.423 6.034 -14.774 575 2HG1 VAL 77 2HG1 VAL 77 -7.946 7.456 -13.846 576 3HG1 VAL 77 3HG1 VAL 77 -8.641 7.139 -15.443 577 1HG2 VAL 77 1HG2 VAL 77 -5.645 8.371 -13.607 578 2HG2 VAL 77 2HG2 VAL 77 -5.109 6.844 -14.323 579 3HG2 VAL 77 3HG2 VAL 77 -4.548 8.385 -14.997 Start of MODEL 26 1 1H ASN 1 1HT ASN 1 -13.033 -14.183 -6.029 2 HA ASN 1 HA ASN 1 -13.174 -12.251 -7.169 3 1HB ASN 1 1HB ASN 1 -15.467 -11.380 -5.365 4 2HB ASN 1 2HB ASN 1 -14.931 -10.599 -6.847 5 1HD2 ASN 1 1HD2 ASN 1 -14.532 -12.880 -8.556 6 2HD2 ASN 1 2HD2 ASN 1 -16.131 -13.578 -8.789 7 H ASP 2 H ASP 2 -11.141 -12.540 -5.733 8 HA ASP 2 HA ASP 2 -10.392 -10.378 -4.012 9 1HB ASP 2 1HB ASP 2 -8.067 -11.176 -4.790 10 2HB ASP 2 2HB ASP 2 -9.048 -12.203 -3.768 11 H SER 3 H SER 3 -9.871 -8.419 -4.467 12 HA SER 3 HA SER 3 -9.707 -7.394 -7.246 13 1HB SER 3 1HB SER 3 -11.350 -6.378 -5.635 14 2HB SER 3 2HB SER 3 -10.010 -5.951 -4.572 15 HG SER 3 HG SER 3 -10.459 -4.167 -5.785 16 H THR 4 H THR 4 -8.203 -5.297 -7.115 17 HA THR 4 HA THR 4 -5.709 -5.582 -5.689 18 HB THR 4 HB THR 4 -5.851 -6.511 -8.553 19 HG1 THR 4 HG1 THR 4 -5.786 -7.753 -6.474 20 1HG2 THR 4 1HG2 THR 4 -4.041 -4.828 -8.650 21 2HG2 THR 4 2HG2 THR 4 -3.362 -6.461 -8.627 22 3HG2 THR 4 3HG2 THR 4 -3.336 -5.483 -7.146 23 H ALA 5 H ALA 5 -4.475 -3.816 -5.761 24 HA ALA 5 HA ALA 5 -5.040 -1.586 -7.584 25 1HB ALA 5 1HB ALA 5 -6.607 -1.229 -5.718 26 2HB ALA 5 2HB ALA 5 -5.276 -1.407 -4.549 27 3HB ALA 5 3HB ALA 5 -5.294 -0.021 -5.658 28 H THR 6 H THR 6 -3.386 -0.019 -7.602 29 HA THR 6 HA THR 6 -0.783 -0.798 -6.372 30 HB THR 6 HB THR 6 -1.141 0.725 -8.967 31 HG1 THR 6 HG1 THR 6 -0.802 -1.181 -9.983 32 1HG2 THR 6 1HG2 THR 6 1.221 -0.633 -7.603 33 2HG2 THR 6 2HG2 THR 6 1.023 1.099 -7.925 34 3HG2 THR 6 3HG2 THR 6 1.256 -0.016 -9.277 35 H PHE 7 H PHE 7 0.341 0.692 -5.388 36 HA PHE 7 HA PHE 7 -0.508 3.524 -5.416 37 1HB PHE 7 1HB PHE 7 0.208 2.158 -2.816 38 2HB PHE 7 2HB PHE 7 -0.523 3.738 -3.106 39 HD1 PHE 7 HD1 PHE 7 -2.845 4.068 -3.431 40 HD2 PHE 7 HD2 PHE 7 -1.355 -0.003 -3.148 41 HE1 PHE 7 HE1 PHE 7 -5.138 3.189 -3.419 42 HE2 PHE 7 HE2 PHE 7 -3.598 -0.825 -3.166 43 HZ PHE 7 HZ PHE 7 -5.542 0.742 -3.259 44 H ILE 8 H ILE 8 1.151 4.982 -5.116 45 HA ILE 8 HA ILE 8 3.891 3.961 -4.642 46 HB ILE 8 HB ILE 8 3.316 4.374 -7.080 47 1HG1 ILE 8 1HG1 ILE 8 5.489 6.239 -6.017 48 2HG1 ILE 8 2HG1 ILE 8 5.584 4.479 -5.951 49 1HG2 ILE 8 1HG2 ILE 8 1.863 6.343 -6.855 50 2HG2 ILE 8 2HG2 ILE 8 3.249 7.323 -6.333 51 3HG2 ILE 8 3HG2 ILE 8 3.194 6.640 -7.969 52 1HD1 ILE 8 1HD1 ILE 8 5.417 4.270 -8.360 53 2HD1 ILE 8 2HD1 ILE 8 5.370 6.049 -8.525 54 3HD1 ILE 8 3HD1 ILE 8 6.815 5.248 -7.870 55 H ILE 9 H ILE 9 5.172 5.045 -3.375 56 HA ILE 9 HA ILE 9 3.892 7.235 -1.813 57 HB ILE 9 HB ILE 9 6.065 5.293 -0.932 58 1HG1 ILE 9 1HG1 ILE 9 4.624 4.077 0.451 59 2HG1 ILE 9 2HG1 ILE 9 3.200 4.896 0.000 60 1HG2 ILE 9 1HG2 ILE 9 5.947 7.398 0.332 61 2HG2 ILE 9 2HG2 ILE 9 4.201 7.180 0.576 62 3HG2 ILE 9 3HG2 ILE 9 5.366 6.084 1.343 63 1HD1 ILE 9 1HD1 ILE 9 5.064 3.067 -1.588 64 2HD1 ILE 9 2HD1 ILE 9 3.561 2.564 -0.779 65 3HD1 ILE 9 3HD1 ILE 9 3.455 3.619 -2.198 66 H ASP 10 H ASP 10 4.868 9.157 -2.097 67 HA ASP 10 HA ASP 10 7.829 9.175 -2.443 68 1HB ASP 10 1HB ASP 10 5.812 10.823 -3.630 69 2HB ASP 10 2HB ASP 10 6.734 11.819 -2.512 70 H GLY 11 H GLY 11 9.137 10.289 -1.032 71 1HA GLY 11 1HA GLY 11 9.797 11.030 1.117 72 2HA GLY 11 2HA GLY 11 8.093 11.037 1.643 73 H MET 12 H MET 12 8.346 8.149 0.206 74 HA MET 12 HA MET 12 8.425 6.516 2.492 75 1HB MET 12 1HB MET 12 7.513 5.310 0.889 76 2HB MET 12 2HB MET 12 8.338 6.170 -0.380 77 1HG MET 12 1HG MET 12 10.085 4.789 -0.561 78 2HG MET 12 2HG MET 12 9.724 3.953 0.960 79 1HE MET 12 1HE MET 12 9.724 1.509 0.123 80 2HE MET 12 2HE MET 12 9.080 1.018 -1.455 81 3HE MET 12 3HE MET 12 10.433 2.156 -1.382 82 H HIS 13 H HIS 13 9.929 5.961 3.820 83 HA HIS 13 HA HIS 13 12.739 6.225 3.570 84 1HB HIS 13 1HB HIS 13 11.031 4.497 5.379 85 2HB HIS 13 2HB HIS 13 12.762 4.707 5.575 86 HD1 HIS 13 HD1 HIS 13 11.836 5.603 8.073 87 HD2 HIS 13 HD2 HIS 13 11.373 8.072 4.694 88 HE1 HIS 13 HE1 HIS 13 11.524 7.981 8.934 89 H CYS 14 H CYS 14 12.037 4.984 1.209 90 HA CYS 14 HA CYS 14 12.180 3.095 -0.128 91 1HB CYS 14 1HB CYS 14 14.016 4.823 -0.148 92 2HB CYS 14 2HB CYS 14 15.038 3.673 0.722 93 HG CYS 14 HG CYS 14 15.394 3.864 -2.015 94 H LYS 15 H LYS 15 15.012 1.720 1.196 95 HA LYS 15 HA LYS 15 14.045 -0.923 1.163 96 1HB LYS 15 1HB LYS 15 16.464 0.506 2.193 97 2HB LYS 15 2HB LYS 15 16.063 -0.949 3.076 98 1HG LYS 15 1HG LYS 15 17.521 -1.730 1.516 99 2HG LYS 15 2HG LYS 15 15.963 -2.198 0.862 100 1HD LYS 15 1HD LYS 15 17.687 0.153 -0.065 101 2HD LYS 15 2HD LYS 15 17.547 -1.433 -0.834 102 1HE LYS 15 1HE LYS 15 15.085 -0.990 -1.158 103 2HE LYS 15 2HE LYS 15 15.366 0.671 -0.640 104 1HZ LYS 15 1HZ LYS 15 16.576 -0.685 -2.996 105 2HZ LYS 15 2HZ LYS 15 16.911 0.862 -2.591 106 3HZ LYS 15 3HZ LYS 15 15.403 0.369 -3.046 107 H SER 16 H SER 16 13.985 1.329 3.926 108 HA SER 16 HA SER 16 13.022 -0.768 5.782 109 1HB SER 16 1HB SER 16 13.156 2.239 6.244 110 2HB SER 16 2HB SER 16 13.155 0.936 7.446 111 HG SER 16 HG SER 16 15.280 1.641 7.199 112 H CYS 17 H CYS 17 11.517 1.934 3.829 113 HA CYS 17 HA CYS 17 8.960 1.853 5.097 114 1HB CYS 17 1HB CYS 17 9.545 3.569 3.565 115 2HB CYS 17 2HB CYS 17 10.055 2.426 2.325 116 HG CYS 17 HG CYS 17 6.993 2.990 3.453 117 H VAL 18 H VAL 18 10.303 -0.024 2.390 118 HA VAL 18 HA VAL 18 8.172 -1.586 1.675 119 HB VAL 18 HB VAL 18 11.132 -2.131 1.727 120 1HG1 VAL 18 1HG1 VAL 18 10.657 -4.309 0.407 121 2HG1 VAL 18 2HG1 VAL 18 10.619 -4.364 2.176 122 3HG1 VAL 18 3HG1 VAL 18 9.115 -4.328 1.254 123 1HG2 VAL 18 1HG2 VAL 18 10.654 -2.235 -0.737 124 2HG2 VAL 18 2HG2 VAL 18 8.965 -1.904 -0.377 125 3HG2 VAL 18 3HG2 VAL 18 10.212 -0.718 0.042 126 H SER 19 H SER 19 10.289 -2.447 4.442 127 HA SER 19 HA SER 19 8.816 -4.834 5.096 128 1HB SER 19 1HB SER 19 11.180 -4.395 5.659 129 2HB SER 19 2HB SER 19 10.712 -3.095 6.750 130 HG SER 19 HG SER 19 9.930 -5.835 7.007 131 H ASN 20 H ASN 20 8.413 -1.487 6.261 132 HA ASN 20 HA ASN 20 6.385 -2.070 8.263 133 1HB ASN 20 1HB ASN 20 6.708 0.370 6.504 134 2HB ASN 20 2HB ASN 20 5.633 0.251 7.847 135 1HD2 ASN 20 1HD2 ASN 20 9.067 0.401 6.989 136 2HD2 ASN 20 2HD2 ASN 20 9.450 1.133 8.533 137 H ILE 21 H ILE 21 6.317 -1.355 4.749 138 HA ILE 21 HA ILE 21 3.444 -1.027 4.624 139 HB ILE 21 HB ILE 21 5.339 -1.725 2.344 140 1HG1 ILE 21 1HG1 ILE 21 5.700 0.526 3.828 141 2HG1 ILE 21 2HG1 ILE 21 6.003 0.378 2.085 142 1HG2 ILE 21 1HG2 ILE 21 3.035 -2.156 1.738 143 2HG2 ILE 21 2HG2 ILE 21 2.496 -0.631 2.458 144 3HG2 ILE 21 3HG2 ILE 21 3.493 -0.654 0.963 145 1HD1 ILE 21 1HD1 ILE 21 3.538 1.547 3.404 146 2HD1 ILE 21 2HD1 ILE 21 4.865 2.439 2.607 147 3HD1 ILE 21 3HD1 ILE 21 3.811 1.449 1.637 148 H GLU 22 H GLU 22 5.567 -3.738 3.658 149 HA GLU 22 HA GLU 22 3.750 -5.730 2.938 150 1HB GLU 22 1HB GLU 22 6.355 -5.688 4.519 151 2HB GLU 22 2HB GLU 22 5.553 -7.204 4.153 152 1HG GLU 22 1HG GLU 22 5.762 -6.877 1.776 153 2HG GLU 22 2HG GLU 22 6.309 -5.226 1.968 154 H SER 23 H SER 23 4.841 -4.832 6.222 155 HA SER 23 HA SER 23 3.126 -6.693 7.547 156 1HB SER 23 1HB SER 23 4.530 -4.164 8.605 157 2HB SER 23 2HB SER 23 3.935 -5.511 9.600 158 HG SER 23 HG SER 23 6.174 -5.372 7.876 159 H THR 24 H THR 24 2.762 -3.155 7.304 160 HA THR 24 HA THR 24 0.406 -3.026 8.930 161 HB THR 24 HB THR 24 1.622 -1.111 6.840 162 HG1 THR 24 HG1 THR 24 1.546 -1.114 9.686 163 1HG2 THR 24 1HG2 THR 24 -0.573 -0.606 8.924 164 2HG2 THR 24 2HG2 THR 24 -0.729 -0.446 7.162 165 3HG2 THR 24 3HG2 THR 24 0.317 0.664 8.050 166 H LEU 25 H LEU 25 0.894 -3.250 5.424 167 HA LEU 25 HA LEU 25 -1.974 -3.168 4.924 168 1HB LEU 25 1HB LEU 25 0.417 -3.865 3.222 169 2HB LEU 25 2HB LEU 25 -1.215 -3.981 2.624 170 HG LEU 25 HG LEU 25 0.240 -1.825 2.156 171 1HD1 LEU 25 1HD1 LEU 25 -2.717 -1.780 2.836 172 2HD1 LEU 25 2HD1 LEU 25 -1.962 -2.203 1.289 173 3HD1 LEU 25 3HD1 LEU 25 -1.872 -0.546 1.893 174 1HD2 LEU 25 1HD2 LEU 25 -0.328 0.087 3.630 175 2HD2 LEU 25 2HD2 LEU 25 0.668 -1.095 4.470 176 3HD2 LEU 25 3HD2 LEU 25 -1.089 -0.993 4.777 177 H SER 26 H SER 26 0.476 -5.942 5.100 178 HA SER 26 HA SER 26 -1.670 -7.744 4.233 179 1HB SER 26 1HB SER 26 0.707 -8.163 3.695 180 2HB SER 26 2HB SER 26 1.050 -8.411 5.401 181 HG SER 26 HG SER 26 -0.620 -10.066 5.315 182 H ALA 27 H ALA 27 -1.831 -6.145 6.850 183 HA ALA 27 HA ALA 27 -2.691 -8.373 8.666 184 1HB ALA 27 1HB ALA 27 -0.890 -6.959 9.615 185 2HB ALA 27 2HB ALA 27 -1.860 -5.503 9.319 186 3HB ALA 27 3HB ALA 27 -2.414 -6.718 10.494 187 H LEU 28 H LEU 28 -3.900 -6.179 6.384 188 HA LEU 28 HA LEU 28 -6.006 -5.038 7.972 189 1HB LEU 28 1HB LEU 28 -5.572 -5.193 4.965 190 2HB LEU 28 2HB LEU 28 -6.860 -4.274 5.737 191 HG LEU 28 HG LEU 28 -3.945 -3.762 6.413 192 1HD1 LEU 28 1HD1 LEU 28 -4.372 -3.490 3.914 193 2HD1 LEU 28 2HD1 LEU 28 -3.837 -2.047 4.781 194 3HD1 LEU 28 3HD1 LEU 28 -5.531 -2.202 4.341 195 1HD2 LEU 28 1HD2 LEU 28 -5.623 -2.839 7.967 196 2HD2 LEU 28 2HD2 LEU 28 -6.463 -2.065 6.600 197 3HD2 LEU 28 3HD2 LEU 28 -4.810 -1.558 7.055 198 H GLN 29 H GLN 29 -7.997 -5.719 8.323 199 HA GLN 29 HA GLN 29 -8.746 -8.386 8.200 200 1HB GLN 29 1HB GLN 29 -10.805 -7.665 9.179 201 2HB GLN 29 2HB GLN 29 -9.536 -6.602 9.784 202 1HG GLN 29 1HG GLN 29 -10.217 -4.907 8.001 203 2HG GLN 29 2HG GLN 29 -11.575 -5.961 7.593 204 1HE2 GLN 29 1HE2 GLN 29 -12.997 -6.596 9.659 205 2HE2 GLN 29 2HE2 GLN 29 -13.238 -5.229 10.757 206 H TYR 30 H TYR 30 -8.677 -6.669 5.440 207 HA TYR 30 HA TYR 30 -10.698 -8.406 4.110 208 1HB TYR 30 1HB TYR 30 -10.973 -6.416 2.498 209 2HB TYR 30 2HB TYR 30 -11.763 -6.361 4.055 210 HD1 TYR 30 HD1 TYR 30 -12.037 -4.137 4.580 211 HD2 TYR 30 HD2 TYR 30 -8.134 -5.397 3.209 212 HE1 TYR 30 HE1 TYR 30 -11.137 -1.872 5.021 213 HE2 TYR 30 HE2 TYR 30 -7.276 -3.169 3.610 214 HH TYR 30 HH TYR 30 -9.281 -0.522 4.962 215 H VAL 31 H VAL 31 -7.328 -7.822 4.266 216 HA VAL 31 HA VAL 31 -7.091 -7.695 1.308 217 HB VAL 31 HB VAL 31 -5.770 -6.054 2.625 218 1HG1 VAL 31 1HG1 VAL 31 -4.094 -8.418 3.299 219 2HG1 VAL 31 2HG1 VAL 31 -3.693 -6.682 3.375 220 3HG1 VAL 31 3HG1 VAL 31 -5.016 -7.308 4.390 221 1HG2 VAL 31 1HG2 VAL 31 -4.069 -7.917 0.881 222 2HG2 VAL 31 2HG2 VAL 31 -5.129 -6.616 0.248 223 3HG2 VAL 31 3HG2 VAL 31 -3.726 -6.238 1.249 224 H SER 32 H SER 32 -6.147 -9.293 0.040 225 HA SER 32 HA SER 32 -6.028 -11.985 1.336 226 1HB SER 32 1HB SER 32 -7.624 -11.472 -0.558 227 2HB SER 32 2HB SER 32 -6.202 -11.283 -1.606 228 HG SER 32 HG SER 32 -5.616 -13.462 -0.905 229 H SER 33 H SER 33 -3.969 -9.601 -0.193 230 HA SER 33 HA SER 33 -1.491 -10.964 0.196 231 1HB SER 33 1HB SER 33 -2.893 -11.403 -2.395 232 2HB SER 33 2HB SER 33 -1.184 -11.143 -2.485 233 HG SER 33 HG SER 33 -2.467 -13.011 -0.765 234 H ILE 34 H ILE 34 0.235 -10.011 -1.179 235 HA ILE 34 HA ILE 34 0.083 -7.320 -2.155 236 HB ILE 34 HB ILE 34 -0.322 -6.817 0.216 237 1HG1 ILE 34 1HG1 ILE 34 2.514 -5.936 -0.448 238 2HG1 ILE 34 2HG1 ILE 34 1.079 -5.297 -1.261 239 1HG2 ILE 34 1HG2 ILE 34 1.381 -7.232 1.958 240 2HG2 ILE 34 2HG2 ILE 34 0.780 -8.748 1.296 241 3HG2 ILE 34 3HG2 ILE 34 2.371 -8.131 0.804 242 1HD1 ILE 34 1HD1 ILE 34 1.699 -5.063 1.707 243 2HD1 ILE 34 2HD1 ILE 34 1.721 -3.778 0.488 244 3HD1 ILE 34 3HD1 ILE 34 0.187 -4.553 0.923 245 H VAL 35 H VAL 35 1.982 -6.590 -2.959 246 HA VAL 35 HA VAL 35 4.580 -7.922 -2.472 247 HB VAL 35 HB VAL 35 3.308 -7.500 -5.221 248 1HG1 VAL 35 1HG1 VAL 35 5.508 -6.494 -5.469 249 2HG1 VAL 35 2HG1 VAL 35 6.281 -7.874 -4.649 250 3HG1 VAL 35 3HG1 VAL 35 5.524 -8.072 -6.244 251 1HG2 VAL 35 1HG2 VAL 35 4.770 -9.834 -3.908 252 2HG2 VAL 35 2HG2 VAL 35 3.017 -9.754 -4.239 253 3HG2 VAL 35 3HG2 VAL 35 4.161 -9.851 -5.582 254 H VAL 36 H VAL 36 6.295 -6.405 -2.702 255 HA VAL 36 HA VAL 36 5.535 -3.654 -3.526 256 HB VAL 36 HB VAL 36 5.193 -3.800 -1.045 257 1HG1 VAL 36 1HG1 VAL 36 7.000 -5.350 -0.471 258 2HG1 VAL 36 2HG1 VAL 36 8.207 -4.134 -0.943 259 3HG1 VAL 36 3HG1 VAL 36 7.119 -3.819 0.424 260 1HG2 VAL 36 1HG2 VAL 36 5.604 -1.628 -2.069 261 2HG2 VAL 36 2HG2 VAL 36 6.360 -1.722 -0.476 262 3HG2 VAL 36 3HG2 VAL 36 7.352 -1.856 -1.943 263 H SER 37 H SER 37 7.199 -2.358 -4.283 264 HA SER 37 HA SER 37 9.448 -3.973 -5.353 265 1HB SER 37 1HB SER 37 8.167 -1.362 -6.132 266 2HB SER 37 2HB SER 37 9.768 -1.821 -6.768 267 HG SER 37 HG SER 37 8.017 -2.553 -8.103 268 H LEU 38 H LEU 38 11.455 -3.920 -4.486 269 HA LEU 38 HA LEU 38 12.077 -2.188 -2.392 270 1HB LEU 38 1HB LEU 38 12.948 -4.608 -3.461 271 2HB LEU 38 2HB LEU 38 14.280 -3.583 -3.886 272 HG LEU 38 HG LEU 38 13.858 -5.050 -1.557 273 1HD1 LEU 38 1HD1 LEU 38 15.963 -4.119 -0.793 274 2HD1 LEU 38 2HD1 LEU 38 15.799 -2.788 -1.958 275 3HD1 LEU 38 3HD1 LEU 38 15.995 -4.451 -2.542 276 1HD2 LEU 38 1HD2 LEU 38 13.955 -3.483 0.339 277 2HD2 LEU 38 2HD2 LEU 38 12.413 -3.462 -0.504 278 3HD2 LEU 38 3HD2 LEU 38 13.562 -2.135 -0.755 279 H GLU 39 H GLU 39 12.971 -1.940 -5.800 280 HA GLU 39 HA GLU 39 14.508 0.554 -5.315 281 1HB GLU 39 1HB GLU 39 14.250 -1.110 -7.840 282 2HB GLU 39 2HB GLU 39 15.334 0.240 -7.554 283 1HG GLU 39 1HG GLU 39 15.474 -2.567 -6.456 284 2HG GLU 39 2HG GLU 39 16.713 -1.659 -7.322 285 H ASN 40 H ASN 40 11.351 -0.148 -6.161 286 HA ASN 40 HA ASN 40 10.995 2.561 -7.381 287 1HB ASN 40 1HB ASN 40 9.528 -0.011 -8.110 288 2HB ASN 40 2HB ASN 40 8.921 1.600 -8.468 289 1HD2 ASN 40 1HD2 ASN 40 12.351 1.615 -8.717 290 2HD2 ASN 40 2HD2 ASN 40 12.428 1.247 -10.417 291 H ARG 41 H ARG 41 9.582 3.753 -6.176 292 HA ARG 41 HA ARG 41 9.093 2.798 -3.543 293 1HB ARG 41 1HB ARG 41 8.210 5.461 -4.732 294 2HB ARG 41 2HB ARG 41 8.422 5.045 -3.049 295 1HG ARG 41 1HG ARG 41 10.330 6.031 -3.105 296 2HG ARG 41 2HG ARG 41 10.884 4.479 -3.745 297 1HD ARG 41 1HD ARG 41 11.726 6.015 -5.173 298 2HD ARG 41 2HD ARG 41 10.310 5.444 -6.070 299 HE ARG 41 HE ARG 41 9.312 7.646 -4.804 300 1HH1 ARG 41 1HH1 ARG 41 12.230 7.321 -6.818 301 2HH1 ARG 41 2HH1 ARG 41 12.201 9.011 -7.230 302 1HH2 ARG 41 1HH2 ARG 41 9.384 9.834 -5.426 303 2HH2 ARG 41 2HH2 ARG 41 10.653 10.389 -6.436 304 H SER 42 H SER 42 7.440 1.202 -5.209 305 HA SER 42 HA SER 42 4.698 2.055 -4.414 306 1HB SER 42 1HB SER 42 3.934 0.939 -6.574 307 2HB SER 42 2HB SER 42 4.814 2.436 -6.776 308 HG SER 42 HG SER 42 5.896 -0.206 -6.984 309 H ALA 43 H ALA 43 3.155 0.567 -4.255 310 HA ALA 43 HA ALA 43 3.901 -2.248 -3.543 311 1HB ALA 43 1HB ALA 43 3.515 -0.778 -1.532 312 2HB ALA 43 2HB ALA 43 1.913 -0.352 -2.174 313 3HB ALA 43 3HB ALA 43 2.268 -2.029 -1.696 314 H ILE 44 H ILE 44 2.552 -3.793 -4.274 315 HA ILE 44 HA ILE 44 0.069 -3.058 -5.793 316 HB ILE 44 HB ILE 44 1.992 -5.384 -6.234 317 1HG1 ILE 44 1HG1 ILE 44 1.228 -3.071 -8.089 318 2HG1 ILE 44 2HG1 ILE 44 2.712 -3.110 -7.140 319 1HG2 ILE 44 1HG2 ILE 44 -0.379 -6.065 -6.518 320 2HG2 ILE 44 2HG2 ILE 44 -0.651 -4.694 -7.616 321 3HG2 ILE 44 3HG2 ILE 44 0.439 -6.024 -8.070 322 1HD1 ILE 44 1HD1 ILE 44 1.979 -5.023 -9.386 323 2HD1 ILE 44 2HD1 ILE 44 3.242 -3.783 -9.375 324 3HD1 ILE 44 3HD1 ILE 44 3.399 -5.206 -8.325 325 H VAL 45 H VAL 45 -1.643 -3.579 -4.630 326 HA VAL 45 HA VAL 45 -1.357 -5.527 -2.351 327 HB VAL 45 HB VAL 45 -3.013 -3.018 -2.483 328 1HG1 VAL 45 1HG1 VAL 45 -2.158 -4.815 -0.142 329 2HG1 VAL 45 2HG1 VAL 45 -3.207 -3.388 -0.025 330 3HG1 VAL 45 3HG1 VAL 45 -3.773 -4.814 -0.880 331 1HG2 VAL 45 1HG2 VAL 45 -1.400 -1.960 -0.942 332 2HG2 VAL 45 2HG2 VAL 45 -0.304 -3.342 -1.151 333 3HG2 VAL 45 3HG2 VAL 45 -0.689 -2.281 -2.517 334 H VAL 46 H VAL 46 -2.909 -7.073 -2.205 335 HA VAL 46 HA VAL 46 -5.015 -7.152 -4.336 336 HB VAL 46 HB VAL 46 -3.443 -9.372 -2.979 337 1HG1 VAL 46 1HG1 VAL 46 -4.225 -10.907 -4.601 338 2HG1 VAL 46 2HG1 VAL 46 -5.628 -10.151 -3.833 339 3HG1 VAL 46 3HG1 VAL 46 -5.139 -9.642 -5.469 340 1HG2 VAL 46 1HG2 VAL 46 -2.215 -9.686 -5.110 341 2HG2 VAL 46 2HG2 VAL 46 -2.896 -8.156 -5.695 342 3HG2 VAL 46 3HG2 VAL 46 -1.830 -8.183 -4.280 343 H TYR 47 H TYR 47 -7.077 -6.915 -3.345 344 HA TYR 47 HA TYR 47 -7.410 -7.960 -0.556 345 1HB TYR 47 1HB TYR 47 -8.470 -5.970 0.157 346 2HB TYR 47 2HB TYR 47 -6.940 -5.519 -0.557 347 HD1 TYR 47 HD1 TYR 47 -10.496 -4.971 -0.569 348 HD2 TYR 47 HD2 TYR 47 -6.975 -4.644 -3.031 349 HE1 TYR 47 HE1 TYR 47 -11.719 -3.467 -2.126 350 HE2 TYR 47 HE2 TYR 47 -8.179 -3.116 -4.559 351 HH TYR 47 HH TYR 47 -11.709 -2.459 -4.170 352 H ASN 48 H ASN 48 -9.559 -8.572 0.123 353 HA ASN 48 HA ASN 48 -11.145 -9.499 -2.215 354 1HB ASN 48 1HB ASN 48 -10.160 -11.186 -0.688 355 2HB ASN 48 2HB ASN 48 -11.102 -10.521 0.656 356 1HD2 ASN 48 1HD2 ASN 48 -11.919 -11.281 -2.811 357 2HD2 ASN 48 2HD2 ASN 48 -13.337 -12.205 -2.400 358 H ALA 49 H ALA 49 -12.777 -8.226 -2.767 359 HA ALA 49 HA ALA 49 -14.943 -7.436 -1.058 360 1HB ALA 49 1HB ALA 49 -12.850 -5.360 -1.804 361 2HB ALA 49 2HB ALA 49 -14.441 -4.970 -1.114 362 3HB ALA 49 3HB ALA 49 -13.253 -5.859 -0.149 363 H SER 50 H SER 50 -16.668 -6.502 -2.308 364 HA SER 50 HA SER 50 -16.337 -6.734 -5.228 365 1HB SER 50 1HB SER 50 -18.857 -6.253 -3.609 366 2HB SER 50 2HB SER 50 -18.748 -6.817 -5.284 367 HG SER 50 HG SER 50 -17.864 -8.770 -4.516 368 H SER 51 H SER 51 -15.353 -4.262 -3.588 369 HA SER 51 HA SER 51 -16.773 -2.259 -5.252 370 1HB SER 51 1HB SER 51 -16.741 -0.639 -3.522 371 2HB SER 51 2HB SER 51 -17.484 -2.111 -2.887 372 HG SER 51 HG SER 51 -15.143 -0.818 -2.164 373 H VAL 52 H VAL 52 -15.543 -0.887 -6.446 374 HA VAL 52 HA VAL 52 -12.613 -0.943 -6.292 375 HB VAL 52 HB VAL 52 -14.490 0.915 -7.820 376 1HG1 VAL 52 1HG1 VAL 52 -12.442 1.539 -9.108 377 2HG1 VAL 52 2HG1 VAL 52 -12.294 2.006 -7.411 378 3HG1 VAL 52 3HG1 VAL 52 -11.453 0.558 -8.005 379 1HG2 VAL 52 1HG2 VAL 52 -12.862 -1.485 -8.756 380 2HG2 VAL 52 2HG2 VAL 52 -14.634 -1.395 -8.638 381 3HG2 VAL 52 3HG2 VAL 52 -13.778 -0.382 -9.806 382 H THR 53 H THR 53 -12.028 -0.326 -4.290 383 HA THR 53 HA THR 53 -12.481 2.496 -3.507 384 HB THR 53 HB THR 53 -12.921 0.316 -1.434 385 HG1 THR 53 HG1 THR 53 -14.693 1.634 -3.168 386 1HG2 THR 53 1HG2 THR 53 -13.667 3.284 -1.585 387 2HG2 THR 53 2HG2 THR 53 -12.384 2.599 -0.575 388 3HG2 THR 53 3HG2 THR 53 -14.074 2.179 -0.251 389 HA PRO 54 HA PRO 54 -8.165 0.671 -3.005 390 1HB PRO 54 1HB PRO 54 -6.799 2.307 -4.729 391 2HB PRO 54 2HB PRO 54 -7.647 0.822 -5.252 392 1HG PRO 54 1HG PRO 54 -8.658 3.667 -5.347 393 2HG PRO 54 2HG PRO 54 -8.646 2.458 -6.669 394 1HD PRO 54 1HD PRO 54 -10.861 2.855 -5.164 395 2HD PRO 54 2HD PRO 54 -10.378 1.210 -5.679 396 H GLU 55 H GLU 55 -9.722 3.790 -2.752 397 HA GLU 55 HA GLU 55 -7.703 5.226 -1.358 398 1HB GLU 55 1HB GLU 55 -10.715 5.494 -0.922 399 2HB GLU 55 2HB GLU 55 -9.483 6.704 -0.636 400 1HG GLU 55 1HG GLU 55 -10.708 7.329 -2.590 401 2HG GLU 55 2HG GLU 55 -9.072 6.875 -3.083 402 H SER 56 H SER 56 -9.356 2.402 -0.382 403 HA SER 56 HA SER 56 -9.235 2.955 2.540 404 1HB SER 56 1HB SER 56 -9.764 0.568 2.757 405 2HB SER 56 2HB SER 56 -10.977 1.427 1.779 406 HG SER 56 HG SER 56 -10.162 0.485 -0.064 407 H LEU 57 H LEU 57 -7.525 0.783 0.239 408 HA LEU 57 HA LEU 57 -5.423 0.122 2.064 409 1HB LEU 57 1HB LEU 57 -5.392 0.201 -0.960 410 2HB LEU 57 2HB LEU 57 -4.213 -0.617 0.053 411 HG LEU 57 HG LEU 57 -7.162 -1.357 -0.279 412 1HD1 LEU 57 1HD1 LEU 57 -4.608 -2.126 -1.575 413 2HD1 LEU 57 2HD1 LEU 57 -6.239 -2.105 -2.230 414 3HD1 LEU 57 3HD1 LEU 57 -5.712 -3.474 -1.207 415 1HD2 LEU 57 1HD2 LEU 57 -6.726 -3.408 0.949 416 2HD2 LEU 57 2HD2 LEU 57 -6.394 -2.003 1.978 417 3HD2 LEU 57 3HD2 LEU 57 -5.050 -2.932 1.278 418 H ARG 58 H ARG 58 -5.571 2.725 -0.469 419 HA ARG 58 HA ARG 58 -3.104 3.884 -0.067 420 1HB ARG 58 1HB ARG 58 -3.827 5.621 -1.163 421 2HB ARG 58 2HB ARG 58 -5.219 4.655 -1.533 422 1HG ARG 58 1HG ARG 58 -6.475 5.972 0.114 423 2HG ARG 58 2HG ARG 58 -5.016 6.784 0.650 424 1HD ARG 58 1HD ARG 58 -5.613 7.042 -2.256 425 2HD ARG 58 2HD ARG 58 -6.713 7.857 -1.139 426 HE ARG 58 HE ARG 58 -4.241 8.567 -0.137 427 1HH1 ARG 58 1HH1 ARG 58 -5.620 9.039 -3.392 428 2HH1 ARG 58 2HH1 ARG 58 -4.798 10.560 -3.555 429 1HH2 ARG 58 1HH2 ARG 58 -3.209 10.297 -0.455 430 2HH2 ARG 58 2HH2 ARG 58 -3.273 11.223 -1.948 431 H LYS 59 H LYS 59 -5.978 4.716 1.852 432 HA LYS 59 HA LYS 59 -4.787 6.233 3.872 433 1HB LYS 59 1HB LYS 59 -7.306 4.690 3.469 434 2HB LYS 59 2HB LYS 59 -6.833 4.837 5.135 435 1HG LYS 59 1HG LYS 59 -8.322 6.609 4.584 436 2HG LYS 59 2HG LYS 59 -6.738 7.278 4.965 437 1HD LYS 59 1HD LYS 59 -6.506 8.233 2.930 438 2HD LYS 59 2HD LYS 59 -7.035 6.807 2.084 439 1HE LYS 59 1HE LYS 59 -8.886 8.848 3.383 440 2HE LYS 59 2HE LYS 59 -8.473 8.773 1.666 441 1HZ LYS 59 1HZ LYS 59 -9.945 6.718 3.198 442 2HZ LYS 59 2HZ LYS 59 -9.363 6.451 1.704 443 3HZ LYS 59 3HZ LYS 59 -10.522 7.607 1.931 444 H ALA 60 H ALA 60 -4.906 2.602 3.752 445 HA ALA 60 HA ALA 60 -3.808 2.323 6.427 446 1HB ALA 60 1HB ALA 60 -5.043 0.528 5.224 447 2HB ALA 60 2HB ALA 60 -3.705 0.407 4.053 448 3HB ALA 60 3HB ALA 60 -3.430 0.018 5.765 449 H ILE 61 H ILE 61 -2.317 2.602 3.190 450 HA ILE 61 HA ILE 61 0.392 2.401 4.136 451 HB ILE 61 HB ILE 61 -0.645 3.917 1.679 452 1HG1 ILE 61 1HG1 ILE 61 0.305 1.039 1.822 453 2HG1 ILE 61 2HG1 ILE 61 -1.347 1.568 1.588 454 1HG2 ILE 61 1HG2 ILE 61 1.694 3.519 0.832 455 2HG2 ILE 61 2HG2 ILE 61 1.610 4.575 2.213 456 3HG2 ILE 61 3HG2 ILE 61 2.097 2.900 2.446 457 1HD1 ILE 61 1HD1 ILE 61 -0.636 2.731 -0.527 458 2HD1 ILE 61 2HD1 ILE 61 0.931 1.905 -0.376 459 3HD1 ILE 61 3HD1 ILE 61 -0.550 0.955 -0.545 460 H GLU 62 H GLU 62 -1.540 5.335 3.356 461 HA GLU 62 HA GLU 62 0.268 7.247 4.327 462 1HB GLU 62 1HB GLU 62 -2.772 7.248 4.407 463 2HB GLU 62 2HB GLU 62 -1.723 8.655 4.666 464 1HG GLU 62 1HG GLU 62 -0.901 8.656 2.450 465 2HG GLU 62 2HG GLU 62 -1.613 7.070 2.108 466 H ALA 63 H ALA 63 -1.770 5.001 6.195 467 HA ALA 63 HA ALA 63 -1.411 6.518 8.673 468 1HB ALA 63 1HB ALA 63 -3.539 5.353 8.200 469 2HB ALA 63 2HB ALA 63 -2.673 3.795 8.140 470 3HB ALA 63 3HB ALA 63 -2.774 4.705 9.660 471 H VAL 64 H VAL 64 0.749 4.762 7.076 472 HA VAL 64 HA VAL 64 1.937 3.530 9.524 473 HB VAL 64 HB VAL 64 1.783 2.352 7.112 474 1HG1 VAL 64 1HG1 VAL 64 3.619 2.310 5.813 475 2HG1 VAL 64 2HG1 VAL 64 3.115 4.007 5.978 476 3HG1 VAL 64 3HG1 VAL 64 4.548 3.422 6.852 477 1HG2 VAL 64 1HG2 VAL 64 2.792 1.501 9.364 478 2HG2 VAL 64 2HG2 VAL 64 3.611 0.912 7.904 479 3HG2 VAL 64 3HG2 VAL 64 4.318 2.259 8.849 480 H SER 65 H SER 65 2.414 6.104 7.173 481 HA SER 65 HA SER 65 4.093 7.438 9.125 482 1HB SER 65 1HB SER 65 5.427 7.621 6.511 483 2HB SER 65 2HB SER 65 5.976 7.587 8.185 484 HG SER 65 HG SER 65 5.387 5.294 8.148 485 HA PRO 66 HA PRO 66 0.784 9.884 7.010 486 1HB PRO 66 1HB PRO 66 -0.127 11.066 9.391 487 2HB PRO 66 2HB PRO 66 -0.784 9.592 8.621 488 1HG PRO 66 1HG PRO 66 1.276 9.784 10.839 489 2HG PRO 66 2HG PRO 66 -0.154 8.700 10.736 490 1HD PRO 66 1HD PRO 66 2.234 7.690 10.063 491 2HD PRO 66 2HD PRO 66 0.887 7.391 9.017 492 H GLY 67 H GLY 67 0.793 11.997 6.454 493 1HA GLY 67 1HA GLY 67 1.531 14.214 6.266 494 2HA GLY 67 2HA GLY 67 2.609 13.970 7.668 495 H LEU 68 H LEU 68 4.010 11.717 6.770 496 HA LEU 68 HA LEU 68 6.000 12.874 4.973 497 1HB LEU 68 1HB LEU 68 6.578 11.527 6.938 498 2HB LEU 68 2HB LEU 68 5.687 10.159 6.287 499 HG LEU 68 HG LEU 68 7.282 10.107 4.324 500 1HD1 LEU 68 1HD1 LEU 68 8.781 12.151 6.003 501 2HD1 LEU 68 2HD1 LEU 68 8.133 12.394 4.360 502 3HD1 LEU 68 3HD1 LEU 68 9.464 11.256 4.629 503 1HD2 LEU 68 1HD2 LEU 68 9.052 9.052 5.617 504 2HD2 LEU 68 2HD2 LEU 68 7.477 8.639 6.302 505 3HD2 LEU 68 3HD2 LEU 68 8.490 9.868 7.099 506 H TYR 69 H TYR 69 3.884 9.981 4.823 507 HA TYR 69 HA TYR 69 4.769 9.272 2.208 508 1HB TYR 69 1HB TYR 69 2.499 8.320 3.993 509 2HB TYR 69 2HB TYR 69 2.761 7.704 2.377 510 HD1 TYR 69 HD1 TYR 69 2.767 5.511 3.655 511 HD2 TYR 69 HD2 TYR 69 5.997 8.383 3.832 512 HE1 TYR 69 HE1 TYR 69 4.273 3.762 4.164 513 HE2 TYR 69 HE2 TYR 69 7.509 6.601 4.629 514 HH TYR 69 HH TYR 69 6.303 3.338 5.291 515 H ARG 70 H ARG 70 4.475 10.492 0.529 516 HA ARG 70 HA ARG 70 2.019 11.833 -0.155 517 1HB ARG 70 1HB ARG 70 4.605 12.298 -0.765 518 2HB ARG 70 2HB ARG 70 4.234 11.276 -2.128 519 1HG ARG 70 1HG ARG 70 3.842 13.473 -2.832 520 2HG ARG 70 2HG ARG 70 2.228 12.801 -2.618 521 1HD ARG 70 1HD ARG 70 1.967 13.932 -0.477 522 2HD ARG 70 2HD ARG 70 3.668 14.436 -0.484 523 HE ARG 70 HE ARG 70 2.651 15.461 -2.827 524 1HH1 ARG 70 1HH1 ARG 70 1.771 15.889 0.568 525 2HH1 ARG 70 2HH1 ARG 70 1.149 17.492 0.310 526 1HH2 ARG 70 1HH2 ARG 70 1.876 17.531 -3.104 527 2HH2 ARG 70 2HH2 ARG 70 1.177 18.406 -1.776 528 H VAL 71 H VAL 71 1.130 9.460 0.206 529 HA VAL 71 HA VAL 71 1.454 7.475 -1.811 530 HB VAL 71 HB VAL 71 -1.035 7.673 -0.088 531 1HG1 VAL 71 1HG1 VAL 71 -1.082 5.208 -0.343 532 2HG1 VAL 71 2HG1 VAL 71 -1.248 6.006 -1.904 533 3HG1 VAL 71 3HG1 VAL 71 0.315 5.292 -1.438 534 1HG2 VAL 71 1HG2 VAL 71 0.878 7.754 1.367 535 2HG2 VAL 71 2HG2 VAL 71 0.259 6.110 1.414 536 3HG2 VAL 71 3HG2 VAL 71 1.713 6.474 0.461 537 H SER 72 H SER 72 0.805 7.256 -3.748 538 HA SER 72 HA SER 72 -1.656 8.650 -4.745 539 1HB SER 72 1HB SER 72 1.070 8.504 -6.055 540 2HB SER 72 2HB SER 72 -0.363 9.313 -6.661 541 HG SER 72 HG SER 72 1.107 10.020 -4.320 542 H ILE 73 H ILE 73 -2.604 7.653 -6.600 543 HA ILE 73 HA ILE 73 -2.128 4.702 -6.791 544 HB ILE 73 HB ILE 73 -4.483 6.422 -7.679 545 1HG1 ILE 73 1HG1 ILE 73 -4.253 4.338 -5.465 546 2HG1 ILE 73 2HG1 ILE 73 -4.249 6.078 -5.192 547 1HG2 ILE 73 1HG2 ILE 73 -4.166 3.381 -7.804 548 2HG2 ILE 73 2HG2 ILE 73 -5.615 4.302 -8.252 549 3HG2 ILE 73 3HG2 ILE 73 -4.158 4.474 -9.206 550 1HD1 ILE 73 1HD1 ILE 73 -6.555 6.219 -6.155 551 2HD1 ILE 73 2HD1 ILE 73 -6.577 4.441 -6.248 552 3HD1 ILE 73 3HD1 ILE 73 -6.438 5.237 -4.678 553 H THR 74 H THR 74 -1.033 3.859 -8.323 554 HA THR 74 HA THR 74 -0.207 5.533 -10.573 555 HB THR 74 HB THR 74 0.775 2.712 -10.391 556 HG1 THR 74 HG1 THR 74 1.386 4.661 -8.432 557 1HG2 THR 74 1HG2 THR 74 2.919 3.883 -10.691 558 2HG2 THR 74 2HG2 THR 74 2.116 5.452 -10.445 559 3HG2 THR 74 3HG2 THR 74 1.739 4.469 -11.884 560 H SER 75 H SER 75 -1.538 5.648 -12.223 561 HA SER 75 HA SER 75 -1.953 3.742 -14.164 562 1HB SER 75 1HB SER 75 -4.465 4.020 -12.492 563 2HB SER 75 2HB SER 75 -4.449 3.387 -14.129 564 HG SER 75 HG SER 75 -2.864 2.197 -12.129 565 H GLU 76 H GLU 76 -3.038 6.659 -12.740 566 HA GLU 76 HA GLU 76 -4.392 7.548 -15.171 567 1HB GLU 76 1HB GLU 76 -4.934 8.361 -12.819 568 2HB GLU 76 2HB GLU 76 -3.542 9.448 -12.990 569 1HG GLU 76 1HG GLU 76 -4.623 10.129 -15.290 570 2HG GLU 76 2HG GLU 76 -6.032 9.229 -14.748 571 H VAL 77 H VAL 77 -2.899 7.024 -16.562 572 HA VAL 77 HA VAL 77 -0.812 9.124 -17.091 573 HB VAL 77 HB VAL 77 0.482 7.513 -18.371 574 1HG1 VAL 77 1HG1 VAL 77 -0.150 6.351 -15.614 575 2HG1 VAL 77 2HG1 VAL 77 1.333 6.130 -16.560 576 3HG1 VAL 77 3HG1 VAL 77 0.923 7.732 -15.928 577 1HG2 VAL 77 1HG2 VAL 77 -0.005 5.105 -18.368 578 2HG2 VAL 77 2HG2 VAL 77 -1.557 5.402 -17.561 579 3HG2 VAL 77 3HG2 VAL 77 -1.262 6.021 -19.200 Start of MODEL 27 1 1H ASN 1 1HT ASN 1 -15.124 -11.897 -6.913 2 HA ASN 1 HA ASN 1 -13.067 -13.355 -5.536 3 1HB ASN 1 1HB ASN 1 -13.467 -12.174 -8.251 4 2HB ASN 1 2HB ASN 1 -11.796 -12.271 -7.725 5 1HD2 ASN 1 1HD2 ASN 1 -10.850 -14.383 -7.139 6 2HD2 ASN 1 2HD2 ASN 1 -11.652 -15.823 -7.741 7 H ASP 2 H ASP 2 -10.850 -12.661 -5.578 8 HA ASP 2 HA ASP 2 -10.178 -10.424 -3.936 9 1HB ASP 2 1HB ASP 2 -7.857 -11.147 -4.690 10 2HB ASP 2 2HB ASP 2 -8.809 -12.316 -3.794 11 H SER 3 H SER 3 -9.661 -8.444 -4.486 12 HA SER 3 HA SER 3 -9.564 -7.570 -7.330 13 1HB SER 3 1HB SER 3 -11.356 -6.592 -5.792 14 2HB SER 3 2HB SER 3 -10.056 -5.874 -4.845 15 HG SER 3 HG SER 3 -11.069 -4.560 -6.513 16 H THR 4 H THR 4 -8.200 -5.290 -7.106 17 HA THR 4 HA THR 4 -5.744 -5.532 -5.577 18 HB THR 4 HB THR 4 -5.773 -6.370 -8.477 19 HG1 THR 4 HG1 THR 4 -5.777 -7.659 -6.405 20 1HG2 THR 4 1HG2 THR 4 -3.960 -4.679 -8.435 21 2HG2 THR 4 2HG2 THR 4 -3.290 -6.315 -8.455 22 3HG2 THR 4 3HG2 THR 4 -3.314 -5.403 -6.935 23 H ALA 5 H ALA 5 -4.449 -3.761 -5.702 24 HA ALA 5 HA ALA 5 -5.018 -1.564 -7.516 25 1HB ALA 5 1HB ALA 5 -6.646 -1.097 -5.744 26 2HB ALA 5 2HB ALA 5 -5.388 -1.295 -4.499 27 3HB ALA 5 3HB ALA 5 -5.307 0.071 -5.635 28 H THR 6 H THR 6 -3.318 0.058 -7.417 29 HA THR 6 HA THR 6 -0.799 -0.852 -6.109 30 HB THR 6 HB THR 6 -1.074 0.278 -8.892 31 HG1 THR 6 HG1 THR 6 -0.622 -1.798 -9.523 32 1HG2 THR 6 1HG2 THR 6 1.346 -0.826 -7.419 33 2HG2 THR 6 2HG2 THR 6 1.058 0.874 -7.839 34 3HG2 THR 6 3HG2 THR 6 1.308 -0.317 -9.126 35 H PHE 7 H PHE 7 0.428 0.665 -5.288 36 HA PHE 7 HA PHE 7 -0.442 3.495 -5.441 37 1HB PHE 7 1HB PHE 7 0.217 2.212 -2.778 38 2HB PHE 7 2HB PHE 7 -0.487 3.783 -3.123 39 HD1 PHE 7 HD1 PHE 7 -2.788 4.155 -3.531 40 HD2 PHE 7 HD2 PHE 7 -1.385 0.063 -3.152 41 HE1 PHE 7 HE1 PHE 7 -5.111 3.322 -3.535 42 HE2 PHE 7 HE2 PHE 7 -3.657 -0.708 -3.167 43 HZ PHE 7 HZ PHE 7 -5.561 0.892 -3.317 44 H ILE 8 H ILE 8 1.122 5.019 -5.082 45 HA ILE 8 HA ILE 8 3.923 4.113 -4.571 46 HB ILE 8 HB ILE 8 3.300 4.715 -7.017 47 1HG1 ILE 8 1HG1 ILE 8 5.429 6.605 -5.983 48 2HG1 ILE 8 2HG1 ILE 8 5.598 4.870 -5.760 49 1HG2 ILE 8 1HG2 ILE 8 3.146 7.073 -7.650 50 2HG2 ILE 8 2HG2 ILE 8 1.828 6.654 -6.544 51 3HG2 ILE 8 3HG2 ILE 8 3.231 7.574 -5.950 52 1HD1 ILE 8 1HD1 ILE 8 6.716 5.579 -7.831 53 2HD1 ILE 8 2HD1 ILE 8 5.461 4.348 -8.050 54 3HD1 ILE 8 3HD1 ILE 8 5.137 6.050 -8.498 55 H ILE 9 H ILE 9 5.114 5.319 -3.283 56 HA ILE 9 HA ILE 9 3.674 7.423 -1.769 57 HB ILE 9 HB ILE 9 6.087 5.845 -0.813 58 1HG1 ILE 9 1HG1 ILE 9 4.474 4.437 0.576 59 2HG1 ILE 9 2HG1 ILE 9 3.219 4.856 -0.466 60 1HG2 ILE 9 1HG2 ILE 9 3.885 7.294 0.696 61 2HG2 ILE 9 2HG2 ILE 9 5.249 6.404 1.417 62 3HG2 ILE 9 3HG2 ILE 9 5.566 7.839 0.483 63 1HD1 ILE 9 1HD1 ILE 9 4.514 3.563 -2.212 64 2HD1 ILE 9 2HD1 ILE 9 5.939 3.575 -1.100 65 3HD1 ILE 9 3HD1 ILE 9 4.458 2.658 -0.703 66 H ASP 10 H ASP 10 4.932 9.269 -1.181 67 HA ASP 10 HA ASP 10 7.713 9.286 -2.058 68 1HB ASP 10 1HB ASP 10 5.961 10.759 -3.561 69 2HB ASP 10 2HB ASP 10 6.491 11.967 -2.392 70 H GLY 11 H GLY 11 9.131 10.355 -0.735 71 1HA GLY 11 1HA GLY 11 9.817 11.636 1.183 72 2HA GLY 11 2HA GLY 11 8.146 11.600 1.801 73 H MET 12 H MET 12 8.710 8.616 0.695 74 HA MET 12 HA MET 12 8.591 7.456 3.233 75 1HB MET 12 1HB MET 12 8.243 5.471 2.034 76 2HB MET 12 2HB MET 12 7.690 6.687 0.948 77 1HG MET 12 1HG MET 12 10.351 6.472 0.243 78 2HG MET 12 2HG MET 12 9.967 4.826 0.664 79 1HE MET 12 1HE MET 12 9.160 8.002 -1.245 80 2HE MET 12 2HE MET 12 10.527 7.171 -2.010 81 3HE MET 12 3HE MET 12 9.004 7.395 -2.898 82 H HIS 13 H HIS 13 9.880 5.653 4.049 83 HA HIS 13 HA HIS 13 12.607 6.391 4.449 84 1HB HIS 13 1HB HIS 13 11.635 3.692 5.286 85 2HB HIS 13 2HB HIS 13 12.631 4.837 6.150 86 HD1 HIS 13 HD1 HIS 13 10.089 3.261 7.343 87 HD2 HIS 13 HD2 HIS 13 10.174 7.255 5.993 88 HE1 HIS 13 HE1 HIS 13 8.111 4.430 8.423 89 H CYS 14 H CYS 14 12.378 5.887 1.672 90 HA CYS 14 HA CYS 14 13.236 4.714 -0.122 91 1HB CYS 14 1HB CYS 14 15.180 5.727 1.169 92 2HB CYS 14 2HB CYS 14 15.489 4.118 1.830 93 HG CYS 14 HG CYS 14 17.159 4.742 -0.198 94 H LYS 15 H LYS 15 15.072 2.280 0.252 95 HA LYS 15 HA LYS 15 13.154 0.201 -0.204 96 1HB LYS 15 1HB LYS 15 16.106 0.088 0.508 97 2HB LYS 15 2HB LYS 15 15.097 -1.288 0.029 98 1HG LYS 15 1HG LYS 15 14.476 0.053 -2.071 99 2HG LYS 15 2HG LYS 15 15.782 1.160 -1.668 100 1HD LYS 15 1HD LYS 15 17.446 -0.391 -2.148 101 2HD LYS 15 2HD LYS 15 16.444 -1.748 -1.648 102 1HE LYS 15 1HE LYS 15 16.906 -1.888 -4.027 103 2HE LYS 15 2HE LYS 15 15.186 -1.757 -3.719 104 1HZ LYS 15 1HZ LYS 15 16.212 -0.325 -5.571 105 2HZ LYS 15 2HZ LYS 15 16.824 0.643 -4.419 106 3HZ LYS 15 3HZ LYS 15 15.177 0.421 -4.596 107 H SER 16 H SER 16 14.112 1.468 2.906 108 HA SER 16 HA SER 16 13.147 -0.986 4.331 109 1HB SER 16 1HB SER 16 13.875 1.725 5.501 110 2HB SER 16 2HB SER 16 13.828 0.144 6.303 111 HG SER 16 HG SER 16 15.988 0.794 5.788 112 H CYS 17 H CYS 17 11.700 1.886 2.974 113 HA CYS 17 HA CYS 17 9.457 2.146 4.799 114 1HB CYS 17 1HB CYS 17 8.617 3.541 3.171 115 2HB CYS 17 2HB CYS 17 10.306 3.599 2.729 116 HG CYS 17 HG CYS 17 10.249 2.242 0.662 117 H VAL 18 H VAL 18 10.037 0.281 1.957 118 HA VAL 18 HA VAL 18 7.959 -1.185 1.410 119 HB VAL 18 HB VAL 18 10.847 -2.109 1.639 120 1HG1 VAL 18 1HG1 VAL 18 10.124 -4.191 1.289 121 2HG1 VAL 18 2HG1 VAL 18 8.586 -3.689 0.605 122 3HG1 VAL 18 3HG1 VAL 18 10.046 -3.673 -0.404 123 1HG2 VAL 18 1HG2 VAL 18 11.045 -1.530 -0.739 124 2HG2 VAL 18 2HG2 VAL 18 9.375 -0.924 -0.729 125 3HG2 VAL 18 3HG2 VAL 18 10.625 -0.150 0.254 126 H SER 19 H SER 19 10.300 -2.392 3.855 127 HA SER 19 HA SER 19 8.789 -4.720 4.455 128 1HB SER 19 1HB SER 19 11.291 -3.863 5.005 129 2HB SER 19 2HB SER 19 10.565 -3.349 6.513 130 HG SER 19 HG SER 19 10.372 -6.002 5.452 131 H ASN 20 H ASN 20 8.631 -1.480 6.008 132 HA ASN 20 HA ASN 20 6.625 -2.110 7.983 133 1HB ASN 20 1HB ASN 20 6.860 0.468 6.418 134 2HB ASN 20 2HB ASN 20 6.004 0.237 7.885 135 1HD2 ASN 20 1HD2 ASN 20 9.291 0.460 6.547 136 2HD2 ASN 20 2HD2 ASN 20 9.913 0.896 8.137 137 H ILE 21 H ILE 21 6.405 -1.235 4.507 138 HA ILE 21 HA ILE 21 3.521 -0.787 4.653 139 HB ILE 21 HB ILE 21 4.896 -1.251 2.010 140 1HG1 ILE 21 1HG1 ILE 21 5.667 0.950 3.896 141 2HG1 ILE 21 2HG1 ILE 21 6.499 0.114 2.607 142 1HG2 ILE 21 1HG2 ILE 21 2.680 0.605 2.951 143 2HG2 ILE 21 2HG2 ILE 21 3.218 0.387 1.263 144 3HG2 ILE 21 3HG2 ILE 21 2.465 -0.945 2.121 145 1HD1 ILE 21 1HD1 ILE 21 4.474 2.269 2.039 146 2HD1 ILE 21 2HD1 ILE 21 6.230 2.466 2.073 147 3HD1 ILE 21 3HD1 ILE 21 5.497 1.386 0.878 148 H GLU 22 H GLU 22 5.519 -3.394 3.284 149 HA GLU 22 HA GLU 22 3.611 -5.274 2.471 150 1HB GLU 22 1HB GLU 22 6.288 -5.522 3.907 151 2HB GLU 22 2HB GLU 22 5.448 -6.897 3.222 152 1HG GLU 22 1HG GLU 22 5.541 -5.791 0.946 153 2HG GLU 22 2HG GLU 22 6.395 -4.471 1.648 154 H SER 23 H SER 23 5.025 -4.807 5.728 155 HA SER 23 HA SER 23 3.335 -6.692 7.013 156 1HB SER 23 1HB SER 23 4.864 -4.288 8.175 157 2HB SER 23 2HB SER 23 4.327 -5.717 9.089 158 HG SER 23 HG SER 23 6.421 -5.438 7.207 159 H THR 24 H THR 24 2.935 -3.155 6.883 160 HA THR 24 HA THR 24 0.786 -3.123 8.816 161 HB THR 24 HB THR 24 1.707 -0.964 6.806 162 HG1 THR 24 HG1 THR 24 3.269 -1.389 8.201 163 1HG2 THR 24 1HG2 THR 24 -0.087 -0.752 9.272 164 2HG2 THR 24 2HG2 THR 24 -0.580 -0.456 7.589 165 3HG2 THR 24 3HG2 THR 24 0.598 0.611 8.361 166 H LEU 25 H LEU 25 0.942 -3.175 5.295 167 HA LEU 25 HA LEU 25 -1.948 -2.973 5.011 168 1HB LEU 25 1HB LEU 25 0.341 -3.712 3.199 169 2HB LEU 25 2HB LEU 25 -1.313 -3.799 2.639 170 HG LEU 25 HG LEU 25 0.180 -1.659 2.173 171 1HD1 LEU 25 1HD1 LEU 25 -2.028 -1.968 1.323 172 2HD1 LEU 25 2HD1 LEU 25 -1.914 -0.334 1.993 173 3HD1 LEU 25 3HD1 LEU 25 -2.762 -1.596 2.894 174 1HD2 LEU 25 1HD2 LEU 25 -1.062 -0.855 4.846 175 2HD2 LEU 25 2HD2 LEU 25 -0.333 0.239 3.692 176 3HD2 LEU 25 3HD2 LEU 25 0.678 -0.963 4.476 177 H SER 26 H SER 26 0.386 -5.798 5.021 178 HA SER 26 HA SER 26 -1.760 -7.599 4.258 179 1HB SER 26 1HB SER 26 0.648 -8.055 3.842 180 2HB SER 26 2HB SER 26 0.927 -8.178 5.565 181 HG SER 26 HG SER 26 -0.789 -9.843 5.494 182 H ALA 27 H ALA 27 -2.000 -5.891 6.858 183 HA ALA 27 HA ALA 27 -2.820 -8.071 8.748 184 1HB ALA 27 1HB ALA 27 -2.184 -5.120 9.254 185 2HB ALA 27 2HB ALA 27 -2.636 -6.322 10.482 186 3HB ALA 27 3HB ALA 27 -1.097 -6.480 9.604 187 H LEU 28 H LEU 28 -4.075 -5.964 6.363 188 HA LEU 28 HA LEU 28 -6.244 -4.920 7.935 189 1HB LEU 28 1HB LEU 28 -5.814 -4.929 4.928 190 2HB LEU 28 2HB LEU 28 -7.027 -3.988 5.785 191 HG LEU 28 HG LEU 28 -4.072 -3.652 6.424 192 1HD1 LEU 28 1HD1 LEU 28 -4.515 -3.317 3.927 193 2HD1 LEU 28 2HD1 LEU 28 -3.846 -1.954 4.822 194 3HD1 LEU 28 3HD1 LEU 28 -5.554 -1.945 4.396 195 1HD2 LEU 28 1HD2 LEU 28 -4.789 -1.431 7.135 196 2HD2 LEU 28 2HD2 LEU 28 -5.686 -2.684 8.009 197 3HD2 LEU 28 3HD2 LEU 28 -6.474 -1.806 6.674 198 H GLN 29 H GLN 29 -8.187 -5.829 8.318 199 HA GLN 29 HA GLN 29 -8.737 -8.473 7.908 200 1HB GLN 29 1HB GLN 29 -9.776 -6.806 9.511 201 2HB GLN 29 2HB GLN 29 -10.844 -6.286 8.201 202 1HG GLN 29 1HG GLN 29 -11.793 -8.583 8.082 203 2HG GLN 29 2HG GLN 29 -10.679 -9.116 9.348 204 1HE2 GLN 29 1HE2 GLN 29 -13.843 -8.016 8.832 205 2HE2 GLN 29 2HE2 GLN 29 -14.118 -7.440 10.486 206 H TYR 30 H TYR 30 -9.409 -6.000 5.476 207 HA TYR 30 HA TYR 30 -10.948 -7.930 3.829 208 1HB TYR 30 1HB TYR 30 -11.156 -5.938 2.294 209 2HB TYR 30 2HB TYR 30 -11.968 -5.862 3.843 210 HD1 TYR 30 HD1 TYR 30 -8.267 -5.037 3.341 211 HD2 TYR 30 HD2 TYR 30 -12.278 -3.557 3.993 212 HE1 TYR 30 HE1 TYR 30 -7.375 -2.836 3.767 213 HE2 TYR 30 HE2 TYR 30 -11.338 -1.302 4.493 214 HH TYR 30 HH TYR 30 -7.820 -0.644 4.394 215 H VAL 31 H VAL 31 -7.606 -7.510 4.201 216 HA VAL 31 HA VAL 31 -7.196 -7.410 1.265 217 HB VAL 31 HB VAL 31 -5.891 -5.767 2.592 218 1HG1 VAL 31 1HG1 VAL 31 -4.303 -8.173 3.368 219 2HG1 VAL 31 2HG1 VAL 31 -3.803 -6.460 3.368 220 3HG1 VAL 31 3HG1 VAL 31 -5.146 -6.959 4.401 221 1HG2 VAL 31 1HG2 VAL 31 -5.231 -6.451 0.240 222 2HG2 VAL 31 2HG2 VAL 31 -3.832 -6.064 1.249 223 3HG2 VAL 31 3HG2 VAL 31 -4.226 -7.747 0.956 224 H SER 32 H SER 32 -6.340 -9.050 0.099 225 HA SER 32 HA SER 32 -6.440 -11.759 1.327 226 1HB SER 32 1HB SER 32 -7.903 -11.149 -0.568 227 2HB SER 32 2HB SER 32 -6.489 -10.760 -1.545 228 HG SER 32 HG SER 32 -7.141 -12.821 -2.051 229 H SER 33 H SER 33 -4.198 -9.495 -0.195 230 HA SER 33 HA SER 33 -1.774 -10.884 0.453 231 1HB SER 33 1HB SER 33 -3.051 -11.367 -2.199 232 2HB SER 33 2HB SER 33 -1.323 -11.211 -2.183 233 HG SER 33 HG SER 33 -2.822 -12.909 -0.457 234 H ILE 34 H ILE 34 0.048 -9.964 -0.993 235 HA ILE 34 HA ILE 34 -0.075 -7.335 -2.084 236 HB ILE 34 HB ILE 34 -0.587 -6.608 0.191 237 1HG1 ILE 34 1HG1 ILE 34 2.330 -5.922 -0.352 238 2HG1 ILE 34 2HG1 ILE 34 0.964 -5.229 -1.235 239 1HG2 ILE 34 1HG2 ILE 34 0.913 -6.986 2.088 240 2HG2 ILE 34 2HG2 ILE 34 0.349 -8.529 1.464 241 3HG2 ILE 34 3HG2 ILE 34 1.992 -7.970 1.089 242 1HD1 ILE 34 1HD1 ILE 34 1.666 -3.685 0.473 243 2HD1 ILE 34 2HD1 ILE 34 0.068 -4.340 0.894 244 3HD1 ILE 34 3HD1 ILE 34 1.522 -4.922 1.732 245 H VAL 35 H VAL 35 1.876 -6.644 -2.850 246 HA VAL 35 HA VAL 35 4.407 -7.979 -2.099 247 HB VAL 35 HB VAL 35 3.365 -7.632 -4.960 248 1HG1 VAL 35 1HG1 VAL 35 5.644 -8.336 -5.759 249 2HG1 VAL 35 2HG1 VAL 35 5.618 -6.730 -5.048 250 3HG1 VAL 35 3HG1 VAL 35 6.259 -8.101 -4.110 251 1HG2 VAL 35 1HG2 VAL 35 4.624 -9.954 -3.418 252 2HG2 VAL 35 2HG2 VAL 35 2.910 -9.848 -3.902 253 3HG2 VAL 35 3HG2 VAL 35 4.160 -10.051 -5.139 254 H VAL 36 H VAL 36 6.026 -6.507 -2.032 255 HA VAL 36 HA VAL 36 5.344 -3.760 -3.076 256 HB VAL 36 HB VAL 36 6.953 -4.490 -0.651 257 1HG1 VAL 36 1HG1 VAL 36 6.700 -1.781 -2.021 258 2HG1 VAL 36 2HG1 VAL 36 7.319 -2.064 -0.398 259 3HG1 VAL 36 3HG1 VAL 36 8.202 -2.716 -1.792 260 1HG2 VAL 36 1HG2 VAL 36 4.601 -2.628 -1.180 261 2HG2 VAL 36 2HG2 VAL 36 4.446 -4.218 -0.409 262 3HG2 VAL 36 3HG2 VAL 36 5.320 -2.904 0.407 263 H SER 37 H SER 37 6.644 -2.748 -4.360 264 HA SER 37 HA SER 37 8.654 -4.316 -5.820 265 1HB SER 37 1HB SER 37 7.539 -1.501 -6.085 266 2HB SER 37 2HB SER 37 8.865 -2.129 -7.054 267 HG SER 37 HG SER 37 6.794 -2.434 -8.061 268 H LEU 38 H LEU 38 10.108 -4.623 -4.007 269 HA LEU 38 HA LEU 38 11.389 -2.939 -2.311 270 1HB LEU 38 1HB LEU 38 11.636 -5.486 -2.791 271 2HB LEU 38 2HB LEU 38 12.861 -5.005 -3.977 272 HG LEU 38 HG LEU 38 13.698 -5.877 -1.811 273 1HD1 LEU 38 1HD1 LEU 38 14.665 -3.076 -2.264 274 2HD1 LEU 38 2HD1 LEU 38 15.009 -4.404 -3.401 275 3HD1 LEU 38 3HD1 LEU 38 15.586 -4.479 -1.719 276 1HD2 LEU 38 1HD2 LEU 38 12.125 -4.765 -0.262 277 2HD2 LEU 38 2HD2 LEU 38 12.854 -3.186 -0.664 278 3HD2 LEU 38 3HD2 LEU 38 13.814 -4.431 0.153 279 H GLU 39 H GLU 39 12.255 -3.314 -5.716 280 HA GLU 39 HA GLU 39 14.519 -1.726 -5.702 281 1HB GLU 39 1HB GLU 39 13.084 -3.223 -7.576 282 2HB GLU 39 2HB GLU 39 12.898 -1.600 -8.195 283 1HG GLU 39 1HG GLU 39 15.500 -3.050 -7.580 284 2HG GLU 39 2HG GLU 39 14.846 -2.642 -9.171 285 H ASN 40 H ASN 40 11.143 -0.877 -6.120 286 HA ASN 40 HA ASN 40 11.645 1.992 -6.750 287 1HB ASN 40 1HB ASN 40 9.351 0.088 -7.309 288 2HB ASN 40 2HB ASN 40 9.247 1.821 -7.578 289 1HD2 ASN 40 1HD2 ASN 40 12.483 0.803 -8.352 290 2HD2 ASN 40 2HD2 ASN 40 12.184 0.663 -10.051 291 H ARG 41 H ARG 41 9.355 3.026 -6.180 292 HA ARG 41 HA ARG 41 9.194 3.181 -3.224 293 1HB ARG 41 1HB ARG 41 8.247 5.512 -3.893 294 2HB ARG 41 2HB ARG 41 9.960 5.191 -4.031 295 1HG ARG 41 1HG ARG 41 8.590 4.652 -6.567 296 2HG ARG 41 2HG ARG 41 8.139 6.218 -5.947 297 1HD ARG 41 1HD ARG 41 11.013 5.231 -6.225 298 2HD ARG 41 2HD ARG 41 10.185 6.188 -7.422 299 HE ARG 41 HE ARG 41 11.567 7.151 -5.143 300 1HH1 ARG 41 1HH1 ARG 41 8.463 7.981 -6.710 301 2HH1 ARG 41 2HH1 ARG 41 8.480 9.556 -5.930 302 1HH2 ARG 41 1HH2 ARG 41 11.350 9.224 -4.183 303 2HH2 ARG 41 2HH2 ARG 41 9.943 10.160 -4.568 304 H SER 42 H SER 42 7.574 1.062 -4.671 305 HA SER 42 HA SER 42 4.853 2.111 -4.145 306 1HB SER 42 1HB SER 42 4.208 1.077 -6.407 307 2HB SER 42 2HB SER 42 5.014 2.636 -6.415 308 HG SER 42 HG SER 42 5.829 1.048 -7.964 309 H ALA 43 H ALA 43 3.184 0.570 -4.275 310 HA ALA 43 HA ALA 43 3.882 -2.255 -3.471 311 1HB ALA 43 1HB ALA 43 2.242 -1.951 -1.650 312 2HB ALA 43 2HB ALA 43 3.482 -0.684 -1.507 313 3HB ALA 43 3HB ALA 43 1.891 -0.295 -2.185 314 H ILE 44 H ILE 44 2.547 -3.777 -4.135 315 HA ILE 44 HA ILE 44 0.133 -3.115 -5.789 316 HB ILE 44 HB ILE 44 2.049 -5.477 -6.014 317 1HG1 ILE 44 1HG1 ILE 44 1.538 -3.209 -8.000 318 2HG1 ILE 44 2HG1 ILE 44 2.939 -3.279 -6.934 319 1HG2 ILE 44 1HG2 ILE 44 -0.441 -4.742 -7.633 320 2HG2 ILE 44 2HG2 ILE 44 0.622 -6.132 -7.939 321 3HG2 ILE 44 3HG2 ILE 44 -0.324 -6.073 -6.462 322 1HD1 ILE 44 1HD1 ILE 44 3.615 -4.060 -9.086 323 2HD1 ILE 44 2HD1 ILE 44 3.613 -5.444 -7.976 324 3HD1 ILE 44 3HD1 ILE 44 2.297 -5.239 -9.161 325 H VAL 45 H VAL 45 -1.597 -3.523 -4.540 326 HA VAL 45 HA VAL 45 -1.356 -5.404 -2.205 327 HB VAL 45 HB VAL 45 -3.057 -2.930 -2.474 328 1HG1 VAL 45 1HG1 VAL 45 -3.850 -4.646 -0.840 329 2HG1 VAL 45 2HG1 VAL 45 -2.255 -4.631 -0.057 330 3HG1 VAL 45 3HG1 VAL 45 -3.298 -3.195 -0.012 331 1HG2 VAL 45 1HG2 VAL 45 -1.494 -1.791 -0.931 332 2HG2 VAL 45 2HG2 VAL 45 -0.369 -3.156 -1.081 333 3HG2 VAL 45 3HG2 VAL 45 -0.750 -2.146 -2.483 334 H VAL 46 H VAL 46 -2.930 -6.998 -2.089 335 HA VAL 46 HA VAL 46 -4.941 -7.099 -4.305 336 HB VAL 46 HB VAL 46 -3.408 -9.318 -2.902 337 1HG1 VAL 46 1HG1 VAL 46 -5.075 -9.560 -5.420 338 2HG1 VAL 46 2HG1 VAL 46 -4.188 -10.843 -4.540 339 3HG1 VAL 46 3HG1 VAL 46 -5.593 -10.072 -3.793 340 1HG2 VAL 46 1HG2 VAL 46 -2.841 -8.116 -5.626 341 2HG2 VAL 46 2HG2 VAL 46 -1.786 -8.108 -4.201 342 3HG2 VAL 46 3HG2 VAL 46 -2.147 -9.629 -5.011 343 H TYR 47 H TYR 47 -6.981 -6.787 -3.380 344 HA TYR 47 HA TYR 47 -7.453 -7.752 -0.585 345 1HB TYR 47 1HB TYR 47 -8.508 -5.685 0.001 346 2HB TYR 47 2HB TYR 47 -6.928 -5.314 -0.641 347 HD1 TYR 47 HD1 TYR 47 -6.689 -4.560 -3.060 348 HD2 TYR 47 HD2 TYR 47 -10.512 -4.773 -1.077 349 HE1 TYR 47 HE1 TYR 47 -7.659 -3.119 -4.800 350 HE2 TYR 47 HE2 TYR 47 -11.517 -3.386 -2.889 351 HH TYR 47 HH TYR 47 -9.536 -2.347 -5.714 352 H ASN 48 H ASN 48 -9.684 -8.217 0.011 353 HA ASN 48 HA ASN 48 -11.288 -9.087 -2.337 354 1HB ASN 48 1HB ASN 48 -10.717 -10.768 -0.596 355 2HB ASN 48 2HB ASN 48 -11.609 -9.803 0.601 356 1HD2 ASN 48 1HD2 ASN 48 -11.979 -11.505 -2.564 357 2HD2 ASN 48 2HD2 ASN 48 -13.692 -11.785 -2.386 358 H ALA 49 H ALA 49 -13.357 -8.411 -2.706 359 HA ALA 49 HA ALA 49 -14.972 -6.825 -0.969 360 1HB ALA 49 1HB ALA 49 -13.455 -5.352 -3.190 361 2HB ALA 49 2HB ALA 49 -14.809 -4.666 -2.263 362 3HB ALA 49 3HB ALA 49 -13.295 -5.052 -1.450 363 H SER 50 H SER 50 -16.922 -5.927 -2.256 364 HA SER 50 HA SER 50 -17.567 -7.561 -4.655 365 1HB SER 50 1HB SER 50 -19.830 -6.789 -4.217 366 2HB SER 50 2HB SER 50 -19.156 -7.462 -2.724 367 HG SER 50 HG SER 50 -19.417 -4.722 -3.462 368 H SER 51 H SER 51 -15.732 -4.937 -4.333 369 HA SER 51 HA SER 51 -16.873 -3.373 -6.557 370 1HB SER 51 1HB SER 51 -16.449 -2.263 -3.742 371 2HB SER 51 2HB SER 51 -16.742 -1.277 -5.179 372 HG SER 51 HG SER 51 -18.670 -1.598 -4.049 373 H VAL 52 H VAL 52 -15.319 -1.781 -7.367 374 HA VAL 52 HA VAL 52 -12.480 -2.235 -6.690 375 HB VAL 52 HB VAL 52 -13.813 -0.272 -8.606 376 1HG1 VAL 52 1HG1 VAL 52 -11.484 0.094 -9.470 377 2HG1 VAL 52 2HG1 VAL 52 -11.679 0.675 -7.816 378 3HG1 VAL 52 3HG1 VAL 52 -10.850 -0.868 -8.118 379 1HG2 VAL 52 1HG2 VAL 52 -12.837 -1.715 -10.370 380 2HG2 VAL 52 2HG2 VAL 52 -12.246 -2.839 -9.126 381 3HG2 VAL 52 3HG2 VAL 52 -13.992 -2.605 -9.371 382 H THR 53 H THR 53 -11.857 -1.398 -4.778 383 HA THR 53 HA THR 53 -12.656 1.374 -3.975 384 HB THR 53 HB THR 53 -13.010 -1.070 -2.200 385 HG1 THR 53 HG1 THR 53 -14.662 0.353 -3.939 386 1HG2 THR 53 1HG2 THR 53 -14.235 0.530 -0.758 387 2HG2 THR 53 2HG2 THR 53 -13.805 1.869 -1.846 388 3HG2 THR 53 3HG2 THR 53 -12.544 1.011 -0.930 389 HA PRO 54 HA PRO 54 -8.212 0.448 -3.191 390 1HB PRO 54 1HB PRO 54 -7.032 2.342 -4.698 391 2HB PRO 54 2HB PRO 54 -7.867 0.955 -5.457 392 1HG PRO 54 1HG PRO 54 -8.977 3.744 -4.981 393 2HG PRO 54 2HG PRO 54 -8.954 2.813 -6.514 394 1HD PRO 54 1HD PRO 54 -11.120 2.819 -4.831 395 2HD PRO 54 2HD PRO 54 -10.656 1.382 -5.788 396 H GLU 55 H GLU 55 -10.057 3.386 -2.483 397 HA GLU 55 HA GLU 55 -7.913 5.014 -1.668 398 1HB GLU 55 1HB GLU 55 -10.513 5.410 -2.135 399 2HB GLU 55 2HB GLU 55 -10.619 5.395 -0.390 400 1HG GLU 55 1HG GLU 55 -8.653 7.144 -1.972 401 2HG GLU 55 2HG GLU 55 -10.320 7.628 -1.681 402 H SER 56 H SER 56 -9.724 2.603 0.288 403 HA SER 56 HA SER 56 -8.700 3.425 2.799 404 1HB SER 56 1HB SER 56 -9.543 0.622 2.142 405 2HB SER 56 2HB SER 56 -9.814 1.575 3.604 406 HG SER 56 HG SER 56 -11.737 1.437 2.481 407 H LEU 57 H LEU 57 -7.377 1.282 0.276 408 HA LEU 57 HA LEU 57 -5.296 0.188 2.048 409 1HB LEU 57 1HB LEU 57 -5.338 0.374 -0.964 410 2HB LEU 57 2HB LEU 57 -4.232 -0.578 0.015 411 HG LEU 57 HG LEU 57 -7.224 -1.043 -0.354 412 1HD1 LEU 57 1HD1 LEU 57 -4.716 -1.970 -1.657 413 2HD1 LEU 57 2HD1 LEU 57 -6.361 -1.925 -2.280 414 3HD1 LEU 57 3HD1 LEU 57 -5.828 -3.281 -1.237 415 1HD2 LEU 57 1HD2 LEU 57 -6.951 -3.152 0.853 416 2HD2 LEU 57 2HD2 LEU 57 -6.556 -1.790 1.913 417 3HD2 LEU 57 3HD2 LEU 57 -5.255 -2.791 1.225 418 H ARG 58 H ARG 58 -5.416 2.815 -0.460 419 HA ARG 58 HA ARG 58 -2.865 3.918 -0.105 420 1HB ARG 58 1HB ARG 58 -4.196 4.972 -1.693 421 2HB ARG 58 2HB ARG 58 -5.577 5.149 -0.661 422 1HG ARG 58 1HG ARG 58 -4.586 6.894 0.603 423 2HG ARG 58 2HG ARG 58 -2.992 6.631 -0.104 424 1HD ARG 58 1HD ARG 58 -3.638 7.621 -2.166 425 2HD ARG 58 2HD ARG 58 -5.355 7.543 -1.736 426 HE ARG 58 HE ARG 58 -3.390 9.178 -0.133 427 1HH1 ARG 58 1HH1 ARG 58 -6.354 9.191 -1.938 428 2HH1 ARG 58 2HH1 ARG 58 -7.232 9.880 -0.651 429 1HH2 ARG 58 1HH2 ARG 58 -4.409 10.463 1.282 430 2HH2 ARG 58 2HH2 ARG 58 -5.886 11.305 0.781 431 H LYS 59 H LYS 59 -5.776 4.743 1.776 432 HA LYS 59 HA LYS 59 -4.546 6.221 3.834 433 1HB LYS 59 1HB LYS 59 -7.131 4.865 3.334 434 2HB LYS 59 2HB LYS 59 -6.715 4.923 5.027 435 1HG LYS 59 1HG LYS 59 -8.060 6.835 4.274 436 2HG LYS 59 2HG LYS 59 -6.520 7.313 5.006 437 1HD LYS 59 1HD LYS 59 -5.564 7.790 2.797 438 2HD LYS 59 2HD LYS 59 -7.017 7.193 1.996 439 1HE LYS 59 1HE LYS 59 -6.948 9.529 3.974 440 2HE LYS 59 2HE LYS 59 -6.800 9.704 2.215 441 1HZ LYS 59 1HZ LYS 59 -9.114 9.989 2.847 442 2HZ LYS 59 2HZ LYS 59 -9.143 8.462 3.521 443 3HZ LYS 59 3HZ LYS 59 -8.913 8.639 1.940 444 H ALA 60 H ALA 60 -4.805 2.606 3.783 445 HA ALA 60 HA ALA 60 -3.661 2.348 6.424 446 1HB ALA 60 1HB ALA 60 -3.547 0.457 4.032 447 2HB ALA 60 2HB ALA 60 -3.223 0.055 5.734 448 3HB ALA 60 3HB ALA 60 -4.858 0.538 5.231 449 H ILE 61 H ILE 61 -2.194 2.783 3.206 450 HA ILE 61 HA ILE 61 0.512 2.540 4.201 451 HB ILE 61 HB ILE 61 -0.340 3.994 1.667 452 1HG1 ILE 61 1HG1 ILE 61 0.393 1.063 1.838 453 2HG1 ILE 61 2HG1 ILE 61 -1.232 1.679 1.680 454 1HG2 ILE 61 1HG2 ILE 61 1.930 4.466 2.111 455 2HG2 ILE 61 2HG2 ILE 61 2.269 2.826 2.687 456 3HG2 ILE 61 3HG2 ILE 61 2.038 3.171 0.966 457 1HD1 ILE 61 1HD1 ILE 61 -0.657 2.754 -0.472 458 2HD1 ILE 61 2HD1 ILE 61 0.938 1.973 -0.408 459 3HD1 ILE 61 3HD1 ILE 61 -0.526 0.986 -0.474 460 H GLU 62 H GLU 62 -1.518 5.483 3.445 461 HA GLU 62 HA GLU 62 0.342 7.356 4.474 462 1HB GLU 62 1HB GLU 62 -2.703 7.520 4.394 463 2HB GLU 62 2HB GLU 62 -1.584 8.849 4.746 464 1HG GLU 62 1HG GLU 62 -0.519 8.576 2.555 465 2HG GLU 62 2HG GLU 62 -1.688 7.297 2.168 466 H ALA 63 H ALA 63 -1.638 5.062 6.250 467 HA ALA 63 HA ALA 63 -1.171 6.439 8.791 468 1HB ALA 63 1HB ALA 63 -2.512 3.777 8.166 469 2HB ALA 63 2HB ALA 63 -2.554 4.626 9.722 470 3HB ALA 63 3HB ALA 63 -3.346 5.344 8.306 471 H VAL 64 H VAL 64 0.922 4.687 7.037 472 HA VAL 64 HA VAL 64 2.129 3.310 9.384 473 HB VAL 64 HB VAL 64 2.063 2.306 6.934 474 1HG1 VAL 64 1HG1 VAL 64 3.234 4.070 5.828 475 2HG1 VAL 64 2HG1 VAL 64 4.728 3.582 6.651 476 3HG1 VAL 64 3HG1 VAL 64 3.856 2.413 5.614 477 1HG2 VAL 64 1HG2 VAL 64 4.715 2.261 8.525 478 2HG2 VAL 64 2HG2 VAL 64 3.267 1.406 9.107 479 3HG2 VAL 64 3HG2 VAL 64 4.006 0.939 7.563 480 H SER 65 H SER 65 2.750 5.960 7.081 481 HA SER 65 HA SER 65 4.256 7.263 9.251 482 1HB SER 65 1HB SER 65 5.518 7.701 6.628 483 2HB SER 65 2HB SER 65 6.111 7.663 8.287 484 HG SER 65 HG SER 65 6.994 5.976 7.333 485 HA PRO 66 HA PRO 66 0.915 9.889 7.428 486 1HB PRO 66 1HB PRO 66 0.071 10.817 9.950 487 2HB PRO 66 2HB PRO 66 -0.645 9.472 9.016 488 1HG PRO 66 1HG PRO 66 1.420 9.334 11.224 489 2HG PRO 66 2HG PRO 66 -0.019 8.288 10.972 490 1HD PRO 66 1HD PRO 66 2.384 7.375 10.205 491 2HD PRO 66 2HD PRO 66 1.034 7.185 9.115 492 H GLY 67 H GLY 67 1.163 11.898 6.884 493 1HA GLY 67 1HA GLY 67 1.933 14.115 6.834 494 2HA GLY 67 2HA GLY 67 2.872 13.821 8.320 495 H LEU 68 H LEU 68 3.974 11.311 6.849 496 HA LEU 68 HA LEU 68 6.202 12.701 5.428 497 1HB LEU 68 1HB LEU 68 6.642 11.436 7.494 498 2HB LEU 68 2HB LEU 68 5.961 9.987 6.771 499 HG LEU 68 HG LEU 68 7.784 9.890 5.130 500 1HD1 LEU 68 1HD1 LEU 68 8.383 12.235 4.824 501 2HD1 LEU 68 2HD1 LEU 68 9.787 11.371 5.478 502 3HD1 LEU 68 3HD1 LEU 68 8.807 12.396 6.548 503 1HD2 LEU 68 1HD2 LEU 68 8.014 8.788 7.315 504 2HD2 LEU 68 2HD2 LEU 68 8.733 10.263 7.998 505 3HD2 LEU 68 3HD2 LEU 68 9.585 9.364 6.722 506 H TYR 69 H TYR 69 3.627 10.376 4.924 507 HA TYR 69 HA TYR 69 4.806 9.311 2.434 508 1HB TYR 69 1HB TYR 69 2.662 8.507 4.399 509 2HB TYR 69 2HB TYR 69 2.612 7.906 2.774 510 HD1 TYR 69 HD1 TYR 69 2.713 5.656 3.540 511 HD2 TYR 69 HD2 TYR 69 5.999 8.347 4.243 512 HE1 TYR 69 HE1 TYR 69 4.150 3.766 3.707 513 HE2 TYR 69 HE2 TYR 69 7.422 6.396 4.776 514 HH TYR 69 HH TYR 69 6.209 3.035 4.470 515 H ARG 70 H ARG 70 4.467 10.472 0.615 516 HA ARG 70 HA ARG 70 2.023 11.799 0.064 517 1HB ARG 70 1HB ARG 70 4.533 12.206 -0.794 518 2HB ARG 70 2HB ARG 70 3.986 11.297 -2.156 519 1HG ARG 70 1HG ARG 70 3.304 14.033 -1.220 520 2HG ARG 70 2HG ARG 70 3.652 13.400 -2.805 521 1HD ARG 70 1HD ARG 70 1.442 14.213 -2.911 522 2HD ARG 70 2HD ARG 70 1.437 12.454 -3.016 523 HE ARG 70 HE ARG 70 0.915 13.804 -0.400 524 1HH1 ARG 70 1HH1 ARG 70 -0.542 11.868 -2.994 525 2HH1 ARG 70 2HH1 ARG 70 -1.571 11.020 -1.880 526 1HH2 ARG 70 1HH2 ARG 70 -0.492 12.617 0.976 527 2HH2 ARG 70 2HH2 ARG 70 -1.482 11.366 0.309 528 H VAL 71 H VAL 71 1.074 9.390 0.397 529 HA VAL 71 HA VAL 71 1.342 7.530 -1.710 530 HB VAL 71 HB VAL 71 -0.995 7.483 0.157 531 1HG1 VAL 71 1HG1 VAL 71 -0.904 5.038 -0.205 532 2HG1 VAL 71 2HG1 VAL 71 -1.199 5.868 -1.722 533 3HG1 VAL 71 3HG1 VAL 71 0.429 5.248 -1.360 534 1HG2 VAL 71 1HG2 VAL 71 1.781 6.286 0.515 535 2HG2 VAL 71 2HG2 VAL 71 1.114 7.669 1.397 536 3HG2 VAL 71 3HG2 VAL 71 0.397 6.089 1.619 537 H SER 72 H SER 72 0.576 7.265 -3.583 538 HA SER 72 HA SER 72 -1.967 8.540 -4.489 539 1HB SER 72 1HB SER 72 0.780 8.698 -5.792 540 2HB SER 72 2HB SER 72 -0.718 9.429 -6.372 541 HG SER 72 HG SER 72 0.832 10.093 -4.091 542 H ILE 73 H ILE 73 -2.703 7.569 -6.600 543 HA ILE 73 HA ILE 73 -2.012 4.650 -6.810 544 HB ILE 73 HB ILE 73 -4.361 6.243 -7.943 545 1HG1 ILE 73 1HG1 ILE 73 -4.212 4.284 -5.614 546 2HG1 ILE 73 2HG1 ILE 73 -4.494 6.018 -5.474 547 1HG2 ILE 73 1HG2 ILE 73 -3.660 4.224 -9.315 548 2HG2 ILE 73 2HG2 ILE 73 -3.949 3.219 -7.871 549 3HG2 ILE 73 3HG2 ILE 73 -5.276 4.101 -8.643 550 1HD1 ILE 73 1HD1 ILE 73 -6.584 4.915 -5.166 551 2HD1 ILE 73 2HD1 ILE 73 -6.643 5.731 -6.743 552 3HD1 ILE 73 3HD1 ILE 73 -6.401 3.967 -6.646 553 H THR 74 H THR 74 -0.882 3.955 -8.541 554 HA THR 74 HA THR 74 0.092 6.049 -10.436 555 HB THR 74 HB THR 74 1.706 5.425 -8.890 556 HG1 THR 74 HG1 THR 74 2.075 4.269 -11.416 557 1HG2 THR 74 1HG2 THR 74 1.284 2.516 -9.669 558 2HG2 THR 74 2HG2 THR 74 1.069 3.253 -8.063 559 3HG2 THR 74 3HG2 THR 74 2.687 3.120 -8.768 560 H SER 75 H SER 75 -2.064 5.306 -11.417 561 HA SER 75 HA SER 75 -1.522 3.753 -13.855 562 1HB SER 75 1HB SER 75 -3.644 2.688 -12.016 563 2HB SER 75 2HB SER 75 -3.053 1.952 -13.508 564 HG SER 75 HG SER 75 -0.946 2.093 -12.069 565 H GLU 76 H GLU 76 -2.448 6.417 -13.252 566 HA GLU 76 HA GLU 76 -4.872 6.336 -14.948 567 1HB GLU 76 1HB GLU 76 -5.283 7.020 -12.469 568 2HB GLU 76 2HB GLU 76 -4.510 8.551 -12.919 569 1HG GLU 76 1HG GLU 76 -6.199 8.769 -14.787 570 2HG GLU 76 2HG GLU 76 -6.918 7.242 -14.278 571 H VAL 77 H VAL 77 -2.171 6.301 -15.595 572 HA VAL 77 HA VAL 77 -1.477 9.074 -16.566 573 HB VAL 77 HB VAL 77 0.392 6.677 -16.526 574 1HG1 VAL 77 1HG1 VAL 77 0.881 9.690 -16.494 575 2HG1 VAL 77 2HG1 VAL 77 2.145 8.444 -16.402 576 3HG1 VAL 77 3HG1 VAL 77 1.170 8.590 -17.861 577 1HG2 VAL 77 1HG2 VAL 77 1.334 7.551 -14.377 578 2HG2 VAL 77 2HG2 VAL 77 -0.042 8.669 -14.254 579 3HG2 VAL 77 3HG2 VAL 77 -0.294 6.909 -14.180 Start of MODEL 28 1 1H ASN 1 1HT ASN 1 -13.961 -14.161 -6.908 2 HA ASN 1 HA ASN 1 -11.219 -14.633 -7.686 3 1HB ASN 1 1HB ASN 1 -12.636 -14.372 -9.871 4 2HB ASN 1 2HB ASN 1 -12.833 -12.686 -9.391 5 1HD2 ASN 1 1HD2 ASN 1 -10.572 -11.498 -8.933 6 2HD2 ASN 1 2HD2 ASN 1 -9.271 -12.016 -9.979 7 H ASP 2 H ASP 2 -9.908 -12.826 -6.993 8 HA ASP 2 HA ASP 2 -11.032 -11.022 -5.006 9 1HB ASP 2 1HB ASP 2 -8.615 -10.636 -4.541 10 2HB ASP 2 2HB ASP 2 -9.047 -12.331 -4.518 11 H SER 3 H SER 3 -9.407 -8.865 -5.031 12 HA SER 3 HA SER 3 -9.453 -7.630 -7.725 13 1HB SER 3 1HB SER 3 -11.306 -6.709 -6.418 14 2HB SER 3 2HB SER 3 -10.208 -6.241 -5.122 15 HG SER 3 HG SER 3 -10.895 -4.625 -6.742 16 H THR 4 H THR 4 -8.042 -5.633 -7.667 17 HA THR 4 HA THR 4 -5.723 -5.746 -5.908 18 HB THR 4 HB THR 4 -5.545 -6.713 -8.746 19 HG1 THR 4 HG1 THR 4 -5.535 -8.003 -6.781 20 1HG2 THR 4 1HG2 THR 4 -3.080 -6.431 -8.661 21 2HG2 THR 4 2HG2 THR 4 -3.234 -5.434 -7.202 22 3HG2 THR 4 3HG2 THR 4 -3.893 -4.864 -8.762 23 H ALA 5 H ALA 5 -4.564 -3.924 -5.863 24 HA ALA 5 HA ALA 5 -5.113 -1.693 -7.705 25 1HB ALA 5 1HB ALA 5 -5.460 -0.141 -5.751 26 2HB ALA 5 2HB ALA 5 -6.763 -1.352 -5.909 27 3HB ALA 5 3HB ALA 5 -5.495 -1.555 -4.682 28 H THR 6 H THR 6 -3.514 0.099 -7.363 29 HA THR 6 HA THR 6 -0.935 -0.814 -6.187 30 HB THR 6 HB THR 6 -1.357 0.262 -8.965 31 HG1 THR 6 HG1 THR 6 -0.544 -1.783 -9.493 32 1HG2 THR 6 1HG2 THR 6 1.214 -0.498 -7.521 33 2HG2 THR 6 2HG2 THR 6 0.787 1.109 -8.156 34 3HG2 THR 6 3HG2 THR 6 1.086 -0.223 -9.276 35 H PHE 7 H PHE 7 0.374 0.658 -5.478 36 HA PHE 7 HA PHE 7 -0.505 3.484 -5.269 37 1HB PHE 7 1HB PHE 7 0.181 1.804 -2.853 38 2HB PHE 7 2HB PHE 7 -0.484 3.414 -2.904 39 HD1 PHE 7 HD1 PHE 7 -2.826 3.879 -3.122 40 HD2 PHE 7 HD2 PHE 7 -1.500 -0.235 -3.426 41 HE1 PHE 7 HE1 PHE 7 -5.158 3.087 -3.074 42 HE2 PHE 7 HE2 PHE 7 -3.784 -0.967 -3.436 43 HZ PHE 7 HZ PHE 7 -5.654 0.665 -3.301 44 H ILE 8 H ILE 8 1.208 4.942 -5.011 45 HA ILE 8 HA ILE 8 3.910 3.848 -4.461 46 HB ILE 8 HB ILE 8 3.467 4.088 -6.885 47 1HG1 ILE 8 1HG1 ILE 8 5.511 6.157 -5.944 48 2HG1 ILE 8 2HG1 ILE 8 5.695 4.433 -5.635 49 1HG2 ILE 8 1HG2 ILE 8 3.310 6.268 -7.968 50 2HG2 ILE 8 2HG2 ILE 8 1.930 5.954 -6.917 51 3HG2 ILE 8 3HG2 ILE 8 3.216 7.066 -6.388 52 1HD1 ILE 8 1HD1 ILE 8 5.522 5.690 -8.399 53 2HD1 ILE 8 2HD1 ILE 8 6.972 5.042 -7.607 54 3HD1 ILE 8 3HD1 ILE 8 5.653 3.945 -8.050 55 H ILE 9 H ILE 9 5.173 4.863 -3.199 56 HA ILE 9 HA ILE 9 4.073 7.153 -1.696 57 HB ILE 9 HB ILE 9 6.112 5.072 -0.816 58 1HG1 ILE 9 1HG1 ILE 9 4.254 4.174 0.629 59 2HG1 ILE 9 2HG1 ILE 9 3.100 5.010 -0.340 60 1HG2 ILE 9 1HG2 ILE 9 6.078 7.288 0.382 61 2HG2 ILE 9 2HG2 ILE 9 4.376 7.026 0.769 62 3HG2 ILE 9 3HG2 ILE 9 5.637 5.934 1.410 63 1HD1 ILE 9 1HD1 ILE 9 3.739 3.420 -2.184 64 2HD1 ILE 9 2HD1 ILE 9 5.090 2.839 -1.149 65 3HD1 ILE 9 3HD1 ILE 9 3.412 2.552 -0.683 66 H ASP 10 H ASP 10 4.924 8.849 -2.823 67 HA ASP 10 HA ASP 10 7.706 9.145 -3.580 68 1HB ASP 10 1HB ASP 10 5.128 10.569 -3.750 69 2HB ASP 10 2HB ASP 10 6.373 11.687 -3.439 70 H GLY 11 H GLY 11 6.762 8.907 -0.612 71 1HA GLY 11 1HA GLY 11 8.557 10.973 0.577 72 2HA GLY 11 2HA GLY 11 6.916 10.796 1.216 73 H MET 12 H MET 12 8.654 8.044 -0.055 74 HA MET 12 HA MET 12 8.428 6.667 2.505 75 1HB MET 12 1HB MET 12 8.160 5.727 0.078 76 2HB MET 12 2HB MET 12 9.899 5.623 0.045 77 1HG MET 12 1HG MET 12 8.797 4.531 2.457 78 2HG MET 12 2HG MET 12 7.815 3.970 1.180 79 1HE MET 12 1HE MET 12 8.180 2.538 -0.602 80 2HE MET 12 2HE MET 12 9.393 1.258 -0.615 81 3HE MET 12 3HE MET 12 8.230 1.351 0.723 82 H HIS 13 H HIS 13 10.092 6.289 3.970 83 HA HIS 13 HA HIS 13 12.322 7.918 4.089 84 1HB HIS 13 1HB HIS 13 11.946 5.087 5.078 85 2HB HIS 13 2HB HIS 13 13.367 6.039 5.472 86 HD1 HIS 13 HD1 HIS 13 13.134 6.484 7.952 87 HD2 HIS 13 HD2 HIS 13 9.628 7.310 5.776 88 HE1 HIS 13 HE1 HIS 13 11.447 7.438 9.611 89 H CYS 14 H CYS 14 12.195 4.757 2.377 90 HA CYS 14 HA CYS 14 14.400 5.024 0.776 91 1HB CYS 14 1HB CYS 14 16.317 3.869 2.020 92 2HB CYS 14 2HB CYS 14 15.986 5.513 2.462 93 HG CYS 14 HG CYS 14 16.488 4.607 4.711 94 H LYS 15 H LYS 15 14.543 2.445 3.027 95 HA LYS 15 HA LYS 15 13.586 0.400 1.076 96 1HB LYS 15 1HB LYS 15 16.335 1.141 1.729 97 2HB LYS 15 2HB LYS 15 16.028 -0.479 2.338 98 1HG LYS 15 1HG LYS 15 16.975 -0.482 0.064 99 2HG LYS 15 2HG LYS 15 15.402 -1.272 0.146 100 1HD LYS 15 1HD LYS 15 14.307 0.626 -0.898 101 2HD LYS 15 2HD LYS 15 15.789 1.599 -0.795 102 1HE LYS 15 1HE LYS 15 16.865 0.141 -2.456 103 2HE LYS 15 2HE LYS 15 15.450 -0.953 -2.439 104 1HZ LYS 15 1HZ LYS 15 15.372 0.687 -4.309 105 2HZ LYS 15 2HZ LYS 15 15.201 1.916 -3.221 106 3HZ LYS 15 3HZ LYS 15 14.100 0.698 -3.343 107 H SER 16 H SER 16 14.836 0.653 4.568 108 HA SER 16 HA SER 16 13.306 -1.525 5.504 109 1HB SER 16 1HB SER 16 13.547 1.021 7.118 110 2HB SER 16 2HB SER 16 13.706 -0.666 7.639 111 HG SER 16 HG SER 16 15.777 0.212 7.541 112 H CYS 17 H CYS 17 12.082 1.655 4.535 113 HA CYS 17 HA CYS 17 9.452 1.385 5.706 114 1HB CYS 17 1HB CYS 17 10.622 3.180 3.525 115 2HB CYS 17 2HB CYS 17 8.942 2.916 3.640 116 HG CYS 17 HG CYS 17 10.753 3.674 6.296 117 H VAL 18 H VAL 18 10.795 -0.039 2.773 118 HA VAL 18 HA VAL 18 8.491 -0.861 1.430 119 HB VAL 18 HB VAL 18 11.160 -2.297 1.849 120 1HG1 VAL 18 1HG1 VAL 18 9.644 -3.911 0.947 121 2HG1 VAL 18 2HG1 VAL 18 9.243 -2.764 -0.383 122 3HG1 VAL 18 3HG1 VAL 18 10.866 -3.456 -0.238 123 1HG2 VAL 18 1HG2 VAL 18 10.367 -0.634 -0.570 124 2HG2 VAL 18 2HG2 VAL 18 11.276 0.053 0.790 125 3HG2 VAL 18 3HG2 VAL 18 11.968 -1.266 -0.162 126 H SER 19 H SER 19 10.220 -2.499 4.068 127 HA SER 19 HA SER 19 8.577 -4.859 4.306 128 1HB SER 19 1HB SER 19 10.995 -4.316 5.100 129 2HB SER 19 2HB SER 19 10.271 -3.390 6.409 130 HG SER 19 HG SER 19 9.228 -5.379 7.081 131 H ASN 20 H ASN 20 8.463 -1.691 6.067 132 HA ASN 20 HA ASN 20 6.336 -2.389 7.868 133 1HB ASN 20 1HB ASN 20 6.938 0.244 6.514 134 2HB ASN 20 2HB ASN 20 5.905 0.072 7.878 135 1HD2 ASN 20 1HD2 ASN 20 8.522 1.493 7.389 136 2HD2 ASN 20 2HD2 ASN 20 9.575 0.919 8.664 137 H ILE 21 H ILE 21 6.390 -1.278 4.497 138 HA ILE 21 HA ILE 21 3.553 -0.671 4.405 139 HB ILE 21 HB ILE 21 5.244 -1.367 1.987 140 1HG1 ILE 21 1HG1 ILE 21 5.832 0.859 3.849 141 2HG1 ILE 21 2HG1 ILE 21 6.657 0.223 2.446 142 1HG2 ILE 21 1HG2 ILE 21 3.598 0.134 0.873 143 2HG2 ILE 21 2HG2 ILE 21 2.858 -1.247 1.655 144 3HG2 ILE 21 3HG2 ILE 21 2.768 0.335 2.449 145 1HD1 ILE 21 1HD1 ILE 21 6.200 2.542 2.063 146 2HD1 ILE 21 2HD1 ILE 21 5.441 1.507 0.858 147 3HD1 ILE 21 3HD1 ILE 21 4.453 2.228 2.148 148 H GLU 22 H GLU 22 5.459 -3.511 3.375 149 HA GLU 22 HA GLU 22 3.324 -5.231 2.674 150 1HB GLU 22 1HB GLU 22 6.084 -5.651 3.840 151 2HB GLU 22 2HB GLU 22 5.072 -6.999 3.416 152 1HG GLU 22 1HG GLU 22 5.162 -4.984 1.248 153 2HG GLU 22 2HG GLU 22 6.761 -5.497 1.753 154 H SER 23 H SER 23 4.885 -4.806 5.928 155 HA SER 23 HA SER 23 3.123 -6.648 7.195 156 1HB SER 23 1HB SER 23 5.338 -5.767 8.029 157 2HB SER 23 2HB SER 23 4.513 -4.250 8.449 158 HG SER 23 HG SER 23 4.561 -5.523 10.284 159 H THR 24 H THR 24 2.689 -3.099 6.990 160 HA THR 24 HA THR 24 0.255 -3.108 8.537 161 HB THR 24 HB THR 24 1.392 -1.039 6.548 162 HG1 THR 24 HG1 THR 24 2.153 -0.163 8.438 163 1HG2 THR 24 1HG2 THR 24 -0.781 -0.775 8.700 164 2HG2 THR 24 2HG2 THR 24 -1.039 -0.625 6.951 165 3HG2 THR 24 3HG2 THR 24 -0.046 0.569 7.795 166 H LEU 25 H LEU 25 0.867 -3.156 5.023 167 HA LEU 25 HA LEU 25 -1.987 -3.190 4.436 168 1HB LEU 25 1HB LEU 25 0.515 -3.588 2.808 169 2HB LEU 25 2HB LEU 25 -1.072 -3.734 2.104 170 HG LEU 25 HG LEU 25 0.163 -1.451 1.862 171 1HD1 LEU 25 1HD1 LEU 25 -2.083 -1.947 1.070 172 2HD1 LEU 25 2HD1 LEU 25 -2.067 -0.338 1.817 173 3HD1 LEU 25 3HD1 LEU 25 -2.745 -1.712 2.696 174 1HD2 LEU 25 1HD2 LEU 25 -0.499 0.250 3.565 175 2HD2 LEU 25 2HD2 LEU 25 0.620 -0.928 4.244 176 3HD2 LEU 25 3HD2 LEU 25 -1.130 -0.997 4.597 177 H SER 26 H SER 26 0.389 -5.824 4.957 178 HA SER 26 HA SER 26 -1.484 -7.732 3.714 179 1HB SER 26 1HB SER 26 0.867 -8.139 3.558 180 2HB SER 26 2HB SER 26 1.059 -8.063 5.284 181 HG SER 26 HG SER 26 -0.570 -9.863 5.253 182 H ALA 27 H ALA 27 -2.190 -5.971 6.294 183 HA ALA 27 HA ALA 27 -3.059 -8.243 8.053 184 1HB ALA 27 1HB ALA 27 -2.076 -5.440 8.773 185 2HB ALA 27 2HB ALA 27 -2.551 -6.710 9.922 186 3HB ALA 27 3HB ALA 27 -1.125 -6.933 8.888 187 H LEU 28 H LEU 28 -4.510 -6.274 5.907 188 HA LEU 28 HA LEU 28 -6.350 -4.967 7.727 189 1HB LEU 28 1HB LEU 28 -6.398 -4.935 4.691 190 2HB LEU 28 2HB LEU 28 -7.291 -3.885 5.746 191 HG LEU 28 HG LEU 28 -4.250 -3.939 5.950 192 1HD1 LEU 28 1HD1 LEU 28 -5.787 -2.122 4.069 193 2HD1 LEU 28 2HD1 LEU 28 -4.794 -3.507 3.551 194 3HD1 LEU 28 3HD1 LEU 28 -4.058 -2.139 4.400 195 1HD2 LEU 28 1HD2 LEU 28 -4.629 -1.653 6.747 196 2HD2 LEU 28 2HD2 LEU 28 -5.605 -2.786 7.696 197 3HD2 LEU 28 3HD2 LEU 28 -6.381 -1.814 6.420 198 H GLN 29 H GLN 29 -8.608 -5.154 7.735 199 HA GLN 29 HA GLN 29 -9.754 -7.775 7.701 200 1HB GLN 29 1HB GLN 29 -10.937 -4.980 8.014 201 2HB GLN 29 2HB GLN 29 -11.867 -6.453 8.263 202 1HG GLN 29 1HG GLN 29 -9.369 -5.793 9.874 203 2HG GLN 29 2HG GLN 29 -11.020 -5.424 10.372 204 1HE2 GLN 29 1HE2 GLN 29 -12.352 -7.141 11.221 205 2HE2 GLN 29 2HE2 GLN 29 -11.670 -8.761 11.395 206 H TYR 30 H TYR 30 -8.863 -6.774 5.053 207 HA TYR 30 HA TYR 30 -10.895 -7.900 3.369 208 1HB TYR 30 1HB TYR 30 -11.134 -5.782 1.943 209 2HB TYR 30 2HB TYR 30 -12.106 -5.962 3.390 210 HD1 TYR 30 HD1 TYR 30 -12.519 -3.978 4.459 211 HD2 TYR 30 HD2 TYR 30 -8.547 -4.611 2.883 212 HE1 TYR 30 HE1 TYR 30 -11.808 -1.783 5.363 213 HE2 TYR 30 HE2 TYR 30 -7.870 -2.417 3.715 214 HH TYR 30 HH TYR 30 -10.029 -0.306 5.621 215 H VAL 31 H VAL 31 -7.804 -7.937 3.960 216 HA VAL 31 HA VAL 31 -7.131 -7.965 1.064 217 HB VAL 31 HB VAL 31 -6.130 -5.957 2.076 218 1HG1 VAL 31 1HG1 VAL 31 -5.751 -7.149 4.292 219 2HG1 VAL 31 2HG1 VAL 31 -4.170 -7.570 3.589 220 3HG1 VAL 31 3HG1 VAL 31 -4.741 -5.859 3.681 221 1HG2 VAL 31 1HG2 VAL 31 -4.070 -8.011 1.124 222 2HG2 VAL 31 2HG2 VAL 31 -5.005 -6.887 0.106 223 3HG2 VAL 31 3HG2 VAL 31 -3.811 -6.270 1.248 224 H SER 32 H SER 32 -6.011 -9.580 0.202 225 HA SER 32 HA SER 32 -5.503 -11.890 2.059 226 1HB SER 32 1HB SER 32 -7.577 -12.176 0.804 227 2HB SER 32 2HB SER 32 -6.723 -11.988 -0.725 228 HG SER 32 HG SER 32 -5.332 -13.778 0.236 229 H SER 33 H SER 33 -3.937 -9.749 -0.068 230 HA SER 33 HA SER 33 -1.409 -10.966 0.208 231 1HB SER 33 1HB SER 33 -2.890 -11.641 -2.284 232 2HB SER 33 2HB SER 33 -1.203 -11.239 -2.464 233 HG SER 33 HG SER 33 -2.290 -13.123 -0.644 234 H ILE 34 H ILE 34 0.155 -9.941 -1.363 235 HA ILE 34 HA ILE 34 -0.153 -7.302 -2.391 236 HB ILE 34 HB ILE 34 -0.489 -6.618 -0.086 237 1HG1 ILE 34 1HG1 ILE 34 2.436 -6.015 -0.689 238 2HG1 ILE 34 2HG1 ILE 34 1.092 -5.278 -1.568 239 1HG2 ILE 34 1HG2 ILE 34 0.436 -8.592 1.114 240 2HG2 ILE 34 2HG2 ILE 34 2.081 -8.101 0.654 241 3HG2 ILE 34 3HG2 ILE 34 1.108 -7.100 1.741 242 1HD1 ILE 34 1HD1 ILE 34 0.240 -4.308 0.480 243 2HD1 ILE 34 2HD1 ILE 34 1.581 -5.003 1.407 244 3HD1 ILE 34 3HD1 ILE 34 1.906 -3.788 0.162 245 H VAL 35 H VAL 35 1.787 -6.563 -3.246 246 HA VAL 35 HA VAL 35 4.325 -7.846 -2.563 247 HB VAL 35 HB VAL 35 3.272 -7.768 -5.426 248 1HG1 VAL 35 1HG1 VAL 35 5.583 -8.378 -6.206 249 2HG1 VAL 35 2HG1 VAL 35 5.485 -6.730 -5.601 250 3HG1 VAL 35 3HG1 VAL 35 6.200 -8.000 -4.581 251 1HG2 VAL 35 1HG2 VAL 35 4.318 -10.136 -5.383 252 2HG2 VAL 35 2HG2 VAL 35 4.620 -9.843 -3.644 253 3HG2 VAL 35 3HG2 VAL 35 2.951 -9.916 -4.284 254 H VAL 36 H VAL 36 5.434 -6.322 -1.977 255 HA VAL 36 HA VAL 36 5.227 -3.614 -3.183 256 HB VAL 36 HB VAL 36 5.428 -4.061 -0.743 257 1HG1 VAL 36 1HG1 VAL 36 7.267 -5.748 -0.903 258 2HG1 VAL 36 2HG1 VAL 36 8.364 -4.476 -1.428 259 3HG1 VAL 36 3HG1 VAL 36 7.623 -4.395 0.189 260 1HG2 VAL 36 1HG2 VAL 36 7.443 -2.084 -1.832 261 2HG2 VAL 36 2HG2 VAL 36 5.730 -1.793 -1.484 262 3HG2 VAL 36 3HG2 VAL 36 6.832 -2.159 -0.169 263 H SER 37 H SER 37 6.820 -2.413 -4.102 264 HA SER 37 HA SER 37 8.941 -3.663 -5.735 265 1HB SER 37 1HB SER 37 7.985 -0.828 -5.147 266 2HB SER 37 2HB SER 37 9.529 -1.126 -5.905 267 HG SER 37 HG SER 37 8.677 -1.718 -7.665 268 H LEU 38 H LEU 38 10.940 -4.083 -4.876 269 HA LEU 38 HA LEU 38 11.757 -2.753 -2.345 270 1HB LEU 38 1HB LEU 38 12.443 -5.223 -3.449 271 2HB LEU 38 2HB LEU 38 13.841 -4.216 -3.875 272 HG LEU 38 HG LEU 38 12.736 -4.480 -1.057 273 1HD1 LEU 38 1HD1 LEU 38 13.574 -6.653 -1.867 274 2HD1 LEU 38 2HD1 LEU 38 14.621 -5.983 -0.609 275 3HD1 LEU 38 3HD1 LEU 38 15.122 -5.895 -2.315 276 1HD2 LEU 38 1HD2 LEU 38 14.972 -3.607 -0.388 277 2HD2 LEU 38 2HD2 LEU 38 13.982 -2.440 -1.266 278 3HD2 LEU 38 3HD2 LEU 38 15.320 -3.273 -2.100 279 H GLU 39 H GLU 39 12.373 -2.633 -5.861 280 HA GLU 39 HA GLU 39 14.627 -0.928 -5.809 281 1HB GLU 39 1HB GLU 39 14.617 -1.203 -8.010 282 2HB GLU 39 2HB GLU 39 14.157 -2.727 -7.332 283 1HG GLU 39 1HG GLU 39 12.603 -0.849 -9.064 284 2HG GLU 39 2HG GLU 39 12.976 -2.551 -9.247 285 H ASN 40 H ASN 40 11.220 -0.345 -6.724 286 HA ASN 40 HA ASN 40 11.536 2.561 -6.510 287 1HB ASN 40 1HB ASN 40 9.333 0.783 -7.549 288 2HB ASN 40 2HB ASN 40 9.050 2.488 -7.240 289 1HD2 ASN 40 1HD2 ASN 40 10.814 0.210 -9.169 290 2HD2 ASN 40 2HD2 ASN 40 11.827 1.397 -9.998 291 H ARG 41 H ARG 41 9.182 3.409 -5.556 292 HA ARG 41 HA ARG 41 9.132 2.562 -2.698 293 1HB ARG 41 1HB ARG 41 8.114 5.220 -3.726 294 2HB ARG 41 2HB ARG 41 8.507 4.716 -2.095 295 1HG ARG 41 1HG ARG 41 10.170 6.189 -2.550 296 2HG ARG 41 2HG ARG 41 10.980 4.653 -2.896 297 1HD ARG 41 1HD ARG 41 10.797 4.995 -5.244 298 2HD ARG 41 2HD ARG 41 9.538 6.232 -5.070 299 HE ARG 41 HE ARG 41 11.745 7.269 -3.760 300 1HH1 ARG 41 1HH1 ARG 41 11.027 6.355 -7.113 301 2HH1 ARG 41 2HH1 ARG 41 11.969 7.662 -7.757 302 1HH2 ARG 41 1HH2 ARG 41 12.880 8.974 -4.678 303 2HH2 ARG 41 2HH2 ARG 41 12.967 9.139 -6.404 304 H SER 42 H SER 42 7.585 0.920 -4.396 305 HA SER 42 HA SER 42 4.778 1.941 -4.083 306 1HB SER 42 1HB SER 42 4.442 0.726 -6.399 307 2HB SER 42 2HB SER 42 5.096 2.351 -6.344 308 HG SER 42 HG SER 42 6.539 -0.075 -6.787 309 H ALA 43 H ALA 43 3.074 0.389 -4.318 310 HA ALA 43 HA ALA 43 3.772 -2.445 -3.775 311 1HB ALA 43 1HB ALA 43 2.010 -0.687 -1.960 312 2HB ALA 43 2HB ALA 43 2.268 -2.449 -1.803 313 3HB ALA 43 3HB ALA 43 3.618 -1.357 -1.539 314 H ILE 44 H ILE 44 2.466 -3.823 -4.607 315 HA ILE 44 HA ILE 44 -0.084 -3.019 -5.958 316 HB ILE 44 HB ILE 44 1.718 -5.441 -6.397 317 1HG1 ILE 44 1HG1 ILE 44 1.353 -2.968 -8.152 318 2HG1 ILE 44 2HG1 ILE 44 2.782 -3.317 -7.193 319 1HG2 ILE 44 1HG2 ILE 44 0.214 -5.904 -8.308 320 2HG2 ILE 44 2HG2 ILE 44 -0.707 -5.848 -6.817 321 3HG2 ILE 44 3HG2 ILE 44 -0.748 -4.459 -7.922 322 1HD1 ILE 44 1HD1 ILE 44 3.118 -5.420 -8.520 323 2HD1 ILE 44 2HD1 ILE 44 1.787 -4.900 -9.588 324 3HD1 ILE 44 3HD1 ILE 44 3.252 -3.917 -9.454 325 H VAL 45 H VAL 45 -1.813 -3.594 -4.756 326 HA VAL 45 HA VAL 45 -1.469 -5.441 -2.408 327 HB VAL 45 HB VAL 45 -3.413 -3.133 -2.789 328 1HG1 VAL 45 1HG1 VAL 45 -3.698 -3.482 -0.269 329 2HG1 VAL 45 2HG1 VAL 45 -4.323 -4.801 -1.267 330 3HG1 VAL 45 3HG1 VAL 45 -2.754 -4.967 -0.432 331 1HG2 VAL 45 1HG2 VAL 45 -2.078 -1.874 -1.194 332 2HG2 VAL 45 2HG2 VAL 45 -0.906 -3.202 -1.065 333 3HG2 VAL 45 3HG2 VAL 45 -1.072 -2.296 -2.573 334 H VAL 46 H VAL 46 -2.807 -7.204 -2.336 335 HA VAL 46 HA VAL 46 -4.857 -7.509 -4.485 336 HB VAL 46 HB VAL 46 -3.408 -9.685 -2.970 337 1HG1 VAL 46 1HG1 VAL 46 -4.917 -9.808 -5.592 338 2HG1 VAL 46 2HG1 VAL 46 -4.147 -11.163 -4.722 339 3HG1 VAL 46 3HG1 VAL 46 -5.560 -10.352 -4.023 340 1HG2 VAL 46 1HG2 VAL 46 -1.666 -8.517 -4.183 341 2HG2 VAL 46 2HG2 VAL 46 -2.013 -10.043 -4.990 342 3HG2 VAL 46 3HG2 VAL 46 -2.640 -8.526 -5.667 343 H TYR 47 H TYR 47 -6.624 -6.792 -3.531 344 HA TYR 47 HA TYR 47 -7.220 -7.471 -0.728 345 1HB TYR 47 1HB TYR 47 -8.390 -5.480 -0.409 346 2HB TYR 47 2HB TYR 47 -6.784 -5.144 -0.961 347 HD1 TYR 47 HD1 TYR 47 -7.220 -5.283 -4.021 348 HD2 TYR 47 HD2 TYR 47 -9.581 -3.569 -0.849 349 HE1 TYR 47 HE1 TYR 47 -8.319 -3.801 -5.647 350 HE2 TYR 47 HE2 TYR 47 -10.544 -1.941 -2.464 351 HH TYR 47 HH TYR 47 -9.716 -2.010 -5.941 352 H ASN 48 H ASN 48 -9.347 -8.215 -0.100 353 HA ASN 48 HA ASN 48 -10.314 -9.764 -2.381 354 1HB ASN 48 1HB ASN 48 -11.065 -11.460 -0.914 355 2HB ASN 48 2HB ASN 48 -9.343 -11.216 -0.905 356 1HD2 ASN 48 1HD2 ASN 48 -8.435 -9.941 0.872 357 2HD2 ASN 48 2HD2 ASN 48 -9.283 -10.003 2.404 358 H ALA 49 H ALA 49 -11.511 -8.079 -3.170 359 HA ALA 49 HA ALA 49 -14.207 -7.614 -2.071 360 1HB ALA 49 1HB ALA 49 -12.032 -5.478 -2.235 361 2HB ALA 49 2HB ALA 49 -13.724 -5.217 -1.722 362 3HB ALA 49 3HB ALA 49 -12.633 -6.174 -0.712 363 H SER 50 H SER 50 -15.201 -5.745 -3.368 364 HA SER 50 HA SER 50 -14.340 -5.324 -6.133 365 1HB SER 50 1HB SER 50 -16.619 -6.216 -6.780 366 2HB SER 50 2HB SER 50 -15.427 -7.461 -6.362 367 HG SER 50 HG SER 50 -17.381 -7.944 -5.400 368 H SER 51 H SER 51 -17.268 -5.318 -4.133 369 HA SER 51 HA SER 51 -18.146 -2.699 -4.848 370 1HB SER 51 1HB SER 51 -18.983 -4.380 -2.456 371 2HB SER 51 2HB SER 51 -19.915 -3.087 -3.240 372 HG SER 51 HG SER 51 -20.565 -5.179 -3.949 373 H VAL 52 H VAL 52 -15.576 -2.168 -4.081 374 HA VAL 52 HA VAL 52 -15.900 -0.279 -1.896 375 HB VAL 52 HB VAL 52 -15.318 -2.652 -0.872 376 1HG1 VAL 52 1HG1 VAL 52 -12.502 -1.679 -1.459 377 2HG1 VAL 52 2HG1 VAL 52 -12.989 -3.149 -0.607 378 3HG1 VAL 52 3HG1 VAL 52 -13.296 -2.995 -2.353 379 1HG2 VAL 52 1HG2 VAL 52 -14.204 -1.577 1.000 380 2HG2 VAL 52 2HG2 VAL 52 -13.810 -0.157 0.017 381 3HG2 VAL 52 3HG2 VAL 52 -15.503 -0.538 0.396 382 H THR 53 H THR 53 -13.821 0.966 -1.526 383 HA THR 53 HA THR 53 -12.702 1.555 -4.191 384 HB THR 53 HB THR 53 -13.998 3.315 -3.234 385 HG1 THR 53 HG1 THR 53 -12.517 4.873 -3.506 386 1HG2 THR 53 1HG2 THR 53 -13.283 4.531 -1.208 387 2HG2 THR 53 2HG2 THR 53 -12.037 3.301 -0.897 388 3HG2 THR 53 3HG2 THR 53 -13.756 2.873 -0.827 389 HA PRO 54 HA PRO 54 -8.498 0.647 -2.750 390 1HB PRO 54 1HB PRO 54 -7.060 2.180 -4.513 391 2HB PRO 54 2HB PRO 54 -7.849 0.639 -4.964 392 1HG PRO 54 1HG PRO 54 -8.930 3.459 -5.320 393 2HG PRO 54 2HG PRO 54 -8.801 2.161 -6.554 394 1HD PRO 54 1HD PRO 54 -11.111 2.571 -5.242 395 2HD PRO 54 2HD PRO 54 -10.549 0.905 -5.538 396 H GLU 55 H GLU 55 -10.147 3.708 -2.557 397 HA GLU 55 HA GLU 55 -8.140 5.414 -1.542 398 1HB GLU 55 1HB GLU 55 -10.924 5.464 -1.863 399 2HB GLU 55 2HB GLU 55 -10.744 5.660 -0.147 400 1HG GLU 55 1HG GLU 55 -9.218 7.345 -2.196 401 2HG GLU 55 2HG GLU 55 -10.880 7.706 -1.751 402 H SER 56 H SER 56 -9.928 2.779 0.224 403 HA SER 56 HA SER 56 -9.052 3.483 2.819 404 1HB SER 56 1HB SER 56 -9.533 0.664 1.864 405 2HB SER 56 2HB SER 56 -9.969 1.401 3.410 406 HG SER 56 HG SER 56 -11.745 1.025 1.853 407 H LEU 57 H LEU 57 -7.505 1.629 0.240 408 HA LEU 57 HA LEU 57 -5.427 0.455 1.969 409 1HB LEU 57 1HB LEU 57 -5.727 0.662 -1.038 410 2HB LEU 57 2HB LEU 57 -4.447 -0.226 -0.210 411 HG LEU 57 HG LEU 57 -7.426 -0.874 -0.278 412 1HD1 LEU 57 1HD1 LEU 57 -6.284 -3.008 -1.330 413 2HD1 LEU 57 2HD1 LEU 57 -4.882 -1.951 -1.547 414 3HD1 LEU 57 3HD1 LEU 57 -6.417 -1.532 -2.317 415 1HD2 LEU 57 1HD2 LEU 57 -5.189 -2.306 1.233 416 2HD2 LEU 57 2HD2 LEU 57 -6.820 -2.964 0.961 417 3HD2 LEU 57 3HD2 LEU 57 -6.613 -1.504 1.936 418 H ARG 58 H ARG 58 -5.621 3.144 -0.450 419 HA ARG 58 HA ARG 58 -2.962 4.026 -0.254 420 1HB ARG 58 1HB ARG 58 -4.945 4.753 -1.802 421 2HB ARG 58 2HB ARG 58 -5.414 5.809 -0.519 422 1HG ARG 58 1HG ARG 58 -2.862 6.538 -0.646 423 2HG ARG 58 2HG ARG 58 -2.925 5.808 -2.243 424 1HD ARG 58 1HD ARG 58 -3.394 8.014 -2.748 425 2HD ARG 58 2HD ARG 58 -5.028 7.331 -2.616 426 HE ARG 58 HE ARG 58 -3.832 8.360 -0.137 427 1HH1 ARG 58 1HH1 ARG 58 -6.278 8.994 -2.552 428 2HH1 ARG 58 2HH1 ARG 58 -7.308 9.638 -1.317 429 1HH2 ARG 58 1HH2 ARG 58 -4.862 9.672 1.138 430 2HH2 ARG 58 2HH2 ARG 58 -6.271 10.553 0.541 431 H LYS 59 H LYS 59 -5.862 4.933 1.743 432 HA LYS 59 HA LYS 59 -4.613 6.356 3.760 433 1HB LYS 59 1HB LYS 59 -7.150 4.896 3.365 434 2HB LYS 59 2HB LYS 59 -6.612 4.863 5.030 435 1HG LYS 59 1HG LYS 59 -7.992 6.794 4.695 436 2HG LYS 59 2HG LYS 59 -6.326 7.315 5.018 437 1HD LYS 59 1HD LYS 59 -6.002 7.691 2.562 438 2HD LYS 59 2HD LYS 59 -7.646 7.141 2.287 439 1HE LYS 59 1HE LYS 59 -7.925 9.090 4.288 440 2HE LYS 59 2HE LYS 59 -6.584 9.721 3.310 441 1HZ LYS 59 1HZ LYS 59 -9.234 8.879 2.224 442 2HZ LYS 59 2HZ LYS 59 -8.088 9.435 1.340 443 3HZ LYS 59 3HZ LYS 59 -8.785 10.456 2.449 444 H ALA 60 H ALA 60 -4.874 2.712 3.638 445 HA ALA 60 HA ALA 60 -3.743 2.341 6.246 446 1HB ALA 60 1HB ALA 60 -5.000 0.599 4.992 447 2HB ALA 60 2HB ALA 60 -3.663 0.489 3.821 448 3HB ALA 60 3HB ALA 60 -3.396 0.037 5.512 449 H ILE 61 H ILE 61 -2.235 2.821 3.067 450 HA ILE 61 HA ILE 61 0.456 2.439 4.067 451 HB ILE 61 HB ILE 61 -0.442 3.957 1.575 452 1HG1 ILE 61 1HG1 ILE 61 0.354 1.037 1.782 453 2HG1 ILE 61 2HG1 ILE 61 -1.258 1.627 1.491 454 1HG2 ILE 61 1HG2 ILE 61 2.229 2.719 2.353 455 2HG2 ILE 61 2HG2 ILE 61 1.856 3.437 0.768 456 3HG2 ILE 61 3HG2 ILE 61 1.863 4.447 2.175 457 1HD1 ILE 61 1HD1 ILE 61 -0.466 2.711 -0.610 458 2HD1 ILE 61 2HD1 ILE 61 1.056 1.801 -0.424 459 3HD1 ILE 61 3HD1 ILE 61 -0.474 0.933 -0.589 460 H GLU 62 H GLU 62 -1.425 5.441 3.320 461 HA GLU 62 HA GLU 62 0.407 7.327 4.270 462 1HB GLU 62 1HB GLU 62 -2.627 7.306 4.594 463 2HB GLU 62 2HB GLU 62 -1.547 8.682 4.873 464 1HG GLU 62 1HG GLU 62 -1.148 9.076 2.645 465 2HG GLU 62 2HG GLU 62 -1.456 7.403 2.191 466 H ALA 63 H ALA 63 -1.616 5.083 6.165 467 HA ALA 63 HA ALA 63 -1.187 6.514 8.665 468 1HB ALA 63 1HB ALA 63 -2.560 4.678 9.601 469 2HB ALA 63 2HB ALA 63 -3.312 5.342 8.138 470 3HB ALA 63 3HB ALA 63 -2.435 3.793 8.067 471 H VAL 64 H VAL 64 0.954 4.795 7.023 472 HA VAL 64 HA VAL 64 2.157 3.424 9.374 473 HB VAL 64 HB VAL 64 1.895 2.344 6.929 474 1HG1 VAL 64 1HG1 VAL 64 4.707 3.283 6.620 475 2HG1 VAL 64 2HG1 VAL 64 3.669 2.275 5.568 476 3HG1 VAL 64 3HG1 VAL 64 3.288 3.997 5.829 477 1HG2 VAL 64 1HG2 VAL 64 3.746 0.816 7.605 478 2HG2 VAL 64 2HG2 VAL 64 4.451 2.093 8.631 479 3HG2 VAL 64 3HG2 VAL 64 2.908 1.334 9.083 480 H SER 65 H SER 65 2.683 6.094 7.092 481 HA SER 65 HA SER 65 4.391 7.266 9.141 482 1HB SER 65 1HB SER 65 5.702 7.638 6.554 483 2HB SER 65 2HB SER 65 6.293 7.366 8.198 484 HG SER 65 HG SER 65 5.607 5.141 7.909 485 HA PRO 66 HA PRO 66 1.114 9.825 7.105 486 1HB PRO 66 1HB PRO 66 -0.026 10.803 9.472 487 2HB PRO 66 2HB PRO 66 -0.533 9.332 8.593 488 1HG PRO 66 1HG PRO 66 1.378 9.541 10.941 489 2HG PRO 66 2HG PRO 66 0.018 8.385 10.707 490 1HD PRO 66 1HD PRO 66 2.499 7.547 10.128 491 2HD PRO 66 2HD PRO 66 1.215 7.217 9.003 492 H GLY 67 H GLY 67 1.050 11.971 6.679 493 1HA GLY 67 1HA GLY 67 1.674 14.223 6.688 494 2HA GLY 67 2HA GLY 67 2.616 13.954 8.179 495 H LEU 68 H LEU 68 3.950 11.612 6.706 496 HA LEU 68 HA LEU 68 5.998 13.162 5.170 497 1HB LEU 68 1HB LEU 68 6.825 12.144 7.128 498 2HB LEU 68 2HB LEU 68 5.961 10.643 6.853 499 HG LEU 68 HG LEU 68 7.428 9.980 5.091 500 1HD1 LEU 68 1HD1 LEU 68 9.451 11.235 4.477 501 2HD1 LEU 68 2HD1 LEU 68 8.913 12.621 5.462 502 3HD1 LEU 68 3HD1 LEU 68 8.004 12.131 4.013 503 1HD2 LEU 68 1HD2 LEU 68 8.921 11.085 7.502 504 2HD2 LEU 68 2HD2 LEU 68 9.532 9.835 6.400 505 3HD2 LEU 68 3HD2 LEU 68 8.093 9.514 7.393 506 H TYR 69 H TYR 69 4.109 10.095 5.051 507 HA TYR 69 HA TYR 69 5.055 9.295 2.505 508 1HB TYR 69 1HB TYR 69 2.733 8.511 4.308 509 2HB TYR 69 2HB TYR 69 2.781 7.961 2.664 510 HD1 TYR 69 HD1 TYR 69 2.681 5.690 3.582 511 HD2 TYR 69 HD2 TYR 69 6.118 8.209 4.201 512 HE1 TYR 69 HE1 TYR 69 4.063 3.716 3.724 513 HE2 TYR 69 HE2 TYR 69 7.480 6.190 4.611 514 HH TYR 69 HH TYR 69 6.117 2.898 4.248 515 H ARG 70 H ARG 70 4.905 10.595 0.700 516 HA ARG 70 HA ARG 70 2.405 11.733 -0.209 517 1HB ARG 70 1HB ARG 70 4.878 12.355 -0.720 518 2HB ARG 70 2HB ARG 70 4.892 11.031 -1.750 519 1HG ARG 70 1HG ARG 70 3.207 13.544 -1.948 520 2HG ARG 70 2HG ARG 70 4.551 13.106 -2.961 521 1HD ARG 70 1HD ARG 70 3.250 11.380 -4.102 522 2HD ARG 70 2HD ARG 70 1.930 11.620 -2.965 523 HE ARG 70 HE ARG 70 1.301 13.580 -4.004 524 1HH1 ARG 70 1HH1 ARG 70 4.268 12.402 -5.731 525 2HH1 ARG 70 2HH1 ARG 70 3.999 13.510 -6.996 526 1HH2 ARG 70 1HH2 ARG 70 1.094 14.929 -5.804 527 2HH2 ARG 70 2HH2 ARG 70 2.262 14.808 -7.086 528 H VAL 71 H VAL 71 1.150 9.706 0.141 529 HA VAL 71 HA VAL 71 1.718 7.456 -1.685 530 HB VAL 71 HB VAL 71 -0.804 7.631 -0.054 531 1HG1 VAL 71 1HG1 VAL 71 -0.634 5.852 -1.856 532 2HG1 VAL 71 2HG1 VAL 71 0.833 5.250 -1.075 533 3HG1 VAL 71 3HG1 VAL 71 -0.732 5.186 -0.235 534 1HG2 VAL 71 1HG2 VAL 71 1.970 6.699 0.776 535 2HG2 VAL 71 2HG2 VAL 71 0.931 7.926 1.548 536 3HG2 VAL 71 3HG2 VAL 71 0.481 6.224 1.615 537 H SER 72 H SER 72 0.996 7.124 -3.639 538 HA SER 72 HA SER 72 -1.334 8.689 -4.693 539 1HB SER 72 1HB SER 72 0.959 8.013 -6.462 540 2HB SER 72 2HB SER 72 -0.051 9.448 -6.403 541 HG SER 72 HG SER 72 2.073 8.794 -4.625 542 H ILE 73 H ILE 73 -2.748 7.529 -6.007 543 HA ILE 73 HA ILE 73 -2.259 4.632 -6.573 544 HB ILE 73 HB ILE 73 -4.645 6.413 -7.194 545 1HG1 ILE 73 1HG1 ILE 73 -4.330 4.277 -5.053 546 2HG1 ILE 73 2HG1 ILE 73 -4.249 6.003 -4.724 547 1HG2 ILE 73 1HG2 ILE 73 -5.803 4.294 -7.748 548 2HG2 ILE 73 2HG2 ILE 73 -4.390 4.487 -8.773 549 3HG2 ILE 73 3HG2 ILE 73 -4.327 3.373 -7.394 550 1HD1 ILE 73 1HD1 ILE 73 -6.423 5.215 -4.097 551 2HD1 ILE 73 2HD1 ILE 73 -6.592 6.270 -5.515 552 3HD1 ILE 73 3HD1 ILE 73 -6.701 4.501 -5.690 553 H THR 74 H THR 74 -0.922 4.185 -8.071 554 HA THR 74 HA THR 74 -1.250 5.534 -10.705 555 HB THR 74 HB THR 74 0.980 5.868 -9.856 556 HG1 THR 74 HG1 THR 74 1.950 4.976 -11.719 557 1HG2 THR 74 1HG2 THR 74 1.234 3.803 -8.437 558 2HG2 THR 74 2HG2 THR 74 2.587 4.087 -9.542 559 3HG2 THR 74 3HG2 THR 74 1.379 2.847 -9.930 560 H SER 75 H SER 75 -2.043 4.406 -12.210 561 HA SER 75 HA SER 75 -2.062 1.415 -12.196 562 1HB SER 75 1HB SER 75 -4.301 2.529 -11.466 563 2HB SER 75 2HB SER 75 -4.468 2.984 -13.152 564 HG SER 75 HG SER 75 -5.426 0.988 -12.923 565 H GLU 76 H GLU 76 -2.739 0.529 -14.383 566 HA GLU 76 HA GLU 76 -1.371 1.938 -16.572 567 1HB GLU 76 1HB GLU 76 -1.209 -0.538 -16.234 568 2HB GLU 76 2HB GLU 76 -2.899 -0.673 -16.742 569 1HG GLU 76 1HG GLU 76 -2.191 0.622 -18.873 570 2HG GLU 76 2HG GLU 76 -0.524 0.426 -18.327 571 H VAL 77 H VAL 77 -2.633 3.709 -16.350 572 HA VAL 77 HA VAL 77 -5.316 3.794 -17.658 573 HB VAL 77 HB VAL 77 -3.511 6.021 -16.615 574 1HG1 VAL 77 1HG1 VAL 77 -5.594 7.425 -16.648 575 2HG1 VAL 77 2HG1 VAL 77 -5.038 6.992 -18.257 576 3HG1 VAL 77 3HG1 VAL 77 -6.420 6.129 -17.541 577 1HG2 VAL 77 1HG2 VAL 77 -4.292 4.602 -14.770 578 2HG2 VAL 77 2HG2 VAL 77 -5.122 6.153 -14.726 579 3HG2 VAL 77 3HG2 VAL 77 -5.965 4.720 -15.354 Start of MODEL 29 1 1H ASN 1 1HT ASN 1 -11.620 -14.556 -8.277 2 HA ASN 1 HA ASN 1 -13.589 -14.127 -6.173 3 1HB ASN 1 1HB ASN 1 -10.891 -15.565 -6.275 4 2HB ASN 1 2HB ASN 1 -11.988 -15.609 -4.899 5 1HD2 ASN 1 1HD2 ASN 1 -13.476 -17.280 -4.848 6 2HD2 ASN 1 2HD2 ASN 1 -13.878 -18.248 -6.265 7 H ASP 2 H ASP 2 -10.549 -12.740 -7.043 8 HA ASP 2 HA ASP 2 -10.252 -11.165 -4.590 9 1HB ASP 2 1HB ASP 2 -7.844 -11.235 -5.211 10 2HB ASP 2 2HB ASP 2 -8.513 -12.817 -4.868 11 H SER 3 H SER 3 -9.305 -9.048 -4.855 12 HA SER 3 HA SER 3 -9.318 -7.907 -7.588 13 1HB SER 3 1HB SER 3 -11.281 -7.150 -6.047 14 2HB SER 3 2HB SER 3 -10.044 -6.276 -5.138 15 HG SER 3 HG SER 3 -11.034 -5.927 -7.739 16 H THR 4 H THR 4 -8.157 -5.575 -7.164 17 HA THR 4 HA THR 4 -5.676 -5.788 -5.671 18 HB THR 4 HB THR 4 -5.771 -6.707 -8.545 19 HG1 THR 4 HG1 THR 4 -5.663 -7.990 -6.512 20 1HG2 THR 4 1HG2 THR 4 -3.270 -5.629 -7.158 21 2HG2 THR 4 2HG2 THR 4 -4.008 -4.976 -8.648 22 3HG2 THR 4 3HG2 THR 4 -3.299 -6.594 -8.645 23 H ALA 5 H ALA 5 -4.382 -4.017 -5.853 24 HA ALA 5 HA ALA 5 -4.938 -1.907 -7.772 25 1HB ALA 5 1HB ALA 5 -6.586 -1.309 -6.090 26 2HB ALA 5 2HB ALA 5 -5.382 -1.473 -4.793 27 3HB ALA 5 3HB ALA 5 -5.233 -0.158 -5.975 28 H THR 6 H THR 6 -3.329 -0.218 -7.720 29 HA THR 6 HA THR 6 -0.728 -0.994 -6.480 30 HB THR 6 HB THR 6 -1.138 0.350 -9.157 31 HG1 THR 6 HG1 THR 6 -0.518 -1.668 -9.964 32 1HG2 THR 6 1HG2 THR 6 1.326 -0.727 -7.738 33 2HG2 THR 6 2HG2 THR 6 0.997 0.959 -8.200 34 3HG2 THR 6 3HG2 THR 6 1.290 -0.254 -9.454 35 H PHE 7 H PHE 7 0.426 0.540 -5.597 36 HA PHE 7 HA PHE 7 -0.505 3.350 -5.631 37 1HB PHE 7 1HB PHE 7 0.187 2.030 -2.996 38 2HB PHE 7 2HB PHE 7 -0.553 3.589 -3.309 39 HD1 PHE 7 HD1 PHE 7 -1.360 -0.146 -3.460 40 HD2 PHE 7 HD2 PHE 7 -2.868 3.916 -3.596 41 HE1 PHE 7 HE1 PHE 7 -3.626 -0.979 -3.501 42 HE2 PHE 7 HE2 PHE 7 -5.185 3.019 -3.587 43 HZ PHE 7 HZ PHE 7 -5.564 0.579 -3.559 44 H ILE 8 H ILE 8 1.050 4.888 -5.072 45 HA ILE 8 HA ILE 8 3.838 3.977 -4.666 46 HB ILE 8 HB ILE 8 3.211 4.409 -7.118 47 1HG1 ILE 8 1HG1 ILE 8 5.399 6.273 -6.113 48 2HG1 ILE 8 2HG1 ILE 8 5.500 4.521 -5.931 49 1HG2 ILE 8 1HG2 ILE 8 3.182 7.346 -6.318 50 2HG2 ILE 8 2HG2 ILE 8 3.083 6.686 -7.958 51 3HG2 ILE 8 3HG2 ILE 8 1.767 6.394 -6.815 52 1HD1 ILE 8 1HD1 ILE 8 6.697 5.212 -7.933 53 2HD1 ILE 8 2HD1 ILE 8 5.328 4.151 -8.314 54 3HD1 ILE 8 3HD1 ILE 8 5.209 5.909 -8.609 55 H ILE 9 H ILE 9 5.107 5.189 -3.456 56 HA ILE 9 HA ILE 9 3.789 7.370 -1.949 57 HB ILE 9 HB ILE 9 6.035 5.517 -1.044 58 1HG1 ILE 9 1HG1 ILE 9 4.336 4.400 0.424 59 2HG1 ILE 9 2HG1 ILE 9 3.079 5.009 -0.535 60 1HG2 ILE 9 1HG2 ILE 9 6.089 7.482 0.207 61 2HG2 ILE 9 2HG2 ILE 9 4.332 7.663 0.268 62 3HG2 ILE 9 3HG2 ILE 9 5.191 6.388 1.224 63 1HD1 ILE 9 1HD1 ILE 9 5.452 3.210 -1.212 64 2HD1 ILE 9 2HD1 ILE 9 3.820 2.638 -0.815 65 3HD1 ILE 9 3HD1 ILE 9 4.073 3.496 -2.341 66 H ASP 10 H ASP 10 4.925 9.292 -1.725 67 HA ASP 10 HA ASP 10 7.838 9.107 -2.144 68 1HB ASP 10 1HB ASP 10 6.247 10.552 -3.834 69 2HB ASP 10 2HB ASP 10 6.898 11.763 -2.733 70 H GLY 11 H GLY 11 9.248 10.207 -0.908 71 1HA GLY 11 1HA GLY 11 9.911 11.488 1.028 72 2HA GLY 11 2HA GLY 11 8.245 11.393 1.664 73 H MET 12 H MET 12 9.426 8.502 0.320 74 HA MET 12 HA MET 12 9.200 7.209 2.906 75 1HB MET 12 1HB MET 12 8.563 5.330 1.653 76 2HB MET 12 2HB MET 12 8.089 6.612 0.648 77 1HG MET 12 1HG MET 12 10.297 4.728 0.330 78 2HG MET 12 2HG MET 12 9.006 5.026 -0.765 79 1HE MET 12 1HE MET 12 9.486 7.305 -2.831 80 2HE MET 12 2HE MET 12 8.961 7.773 -1.226 81 3HE MET 12 3HE MET 12 10.346 8.613 -1.988 82 H HIS 13 H HIS 13 10.771 5.789 3.841 83 HA HIS 13 HA HIS 13 13.521 6.596 3.476 84 1HB HIS 13 1HB HIS 13 12.169 4.601 5.288 85 2HB HIS 13 2HB HIS 13 13.909 4.832 5.273 86 HD1 HIS 13 HD1 HIS 13 14.795 6.532 6.934 87 HD2 HIS 13 HD2 HIS 13 10.841 7.265 5.712 88 HE1 HIS 13 HE1 HIS 13 13.977 8.539 8.277 89 H CYS 14 H CYS 14 12.504 5.328 1.095 90 HA CYS 14 HA CYS 14 13.278 4.108 -0.639 91 1HB CYS 14 1HB CYS 14 15.299 5.384 -0.022 92 2HB CYS 14 2HB CYS 14 15.843 4.041 0.996 93 HG CYS 14 HG CYS 14 15.153 3.984 -2.273 94 H LYS 15 H LYS 15 14.925 2.230 1.947 95 HA LYS 15 HA LYS 15 13.649 -0.251 0.789 96 1HB LYS 15 1HB LYS 15 16.426 0.354 1.664 97 2HB LYS 15 2HB LYS 15 15.755 -1.096 2.402 98 1HG LYS 15 1HG LYS 15 16.846 -1.792 0.430 99 2HG LYS 15 2HG LYS 15 15.112 -1.958 0.155 100 1HD LYS 15 1HD LYS 15 15.118 0.122 -1.208 101 2HD LYS 15 2HD LYS 15 16.846 0.347 -0.838 102 1HE LYS 15 1HE LYS 15 17.169 -2.041 -1.853 103 2HE LYS 15 2HE LYS 15 15.543 -1.887 -2.486 104 1HZ LYS 15 1HZ LYS 15 16.251 0.064 -3.709 105 2HZ LYS 15 2HZ LYS 15 17.171 -1.228 -4.074 106 3HZ LYS 15 3HZ LYS 15 17.798 -0.061 -3.120 107 H SER 16 H SER 16 14.261 1.452 3.937 108 HA SER 16 HA SER 16 12.972 -0.787 5.402 109 1HB SER 16 1HB SER 16 13.076 0.770 7.331 110 2HB SER 16 2HB SER 16 14.650 0.484 6.568 111 HG SER 16 HG SER 16 14.287 2.705 7.026 112 H CYS 17 H CYS 17 11.748 2.021 3.678 113 HA CYS 17 HA CYS 17 9.197 2.297 4.914 114 1HB CYS 17 1HB CYS 17 8.598 3.226 2.644 115 2HB CYS 17 2HB CYS 17 10.134 3.827 3.239 116 HG CYS 17 HG CYS 17 9.372 1.671 0.860 117 H VAL 18 H VAL 18 10.295 0.131 2.339 118 HA VAL 18 HA VAL 18 8.067 -1.144 1.577 119 HB VAL 18 HB VAL 18 10.844 -2.319 2.059 120 1HG1 VAL 18 1HG1 VAL 18 9.973 -4.323 1.683 121 2HG1 VAL 18 2HG1 VAL 18 8.524 -3.703 0.911 122 3HG1 VAL 18 3HG1 VAL 18 10.027 -3.833 -0.020 123 1HG2 VAL 18 1HG2 VAL 18 9.678 -1.056 -0.445 124 2HG2 VAL 18 2HG2 VAL 18 10.922 -0.381 0.617 125 3HG2 VAL 18 3HG2 VAL 18 11.278 -1.818 -0.304 126 H SER 19 H SER 19 10.120 -2.281 4.266 127 HA SER 19 HA SER 19 8.566 -4.679 4.722 128 1HB SER 19 1HB SER 19 10.876 -4.580 5.400 129 2HB SER 19 2HB SER 19 10.654 -3.081 6.298 130 HG SER 19 HG SER 19 9.503 -5.604 7.034 131 H ASN 20 H ASN 20 8.396 -1.455 6.340 132 HA ASN 20 HA ASN 20 6.272 -2.044 8.150 133 1HB ASN 20 1HB ASN 20 6.680 0.444 6.488 134 2HB ASN 20 2HB ASN 20 5.653 0.335 7.855 135 1HD2 ASN 20 1HD2 ASN 20 8.954 0.829 6.831 136 2HD2 ASN 20 2HD2 ASN 20 9.422 1.309 8.448 137 H ILE 21 H ILE 21 6.170 -1.089 4.661 138 HA ILE 21 HA ILE 21 3.285 -0.738 4.727 139 HB ILE 21 HB ILE 21 4.589 -1.300 2.082 140 1HG1 ILE 21 1HG1 ILE 21 5.536 0.964 3.836 141 2HG1 ILE 21 2HG1 ILE 21 6.338 -0.075 2.667 142 1HG2 ILE 21 1HG2 ILE 21 2.209 -0.797 2.304 143 2HG2 ILE 21 2HG2 ILE 21 2.583 0.754 3.071 144 3HG2 ILE 21 3HG2 ILE 21 3.012 0.444 1.362 145 1HD1 ILE 21 1HD1 ILE 21 4.550 2.218 1.865 146 2HD1 ILE 21 2HD1 ILE 21 6.320 2.152 1.790 147 3HD1 ILE 21 3HD1 ILE 21 5.358 1.075 0.767 148 H GLU 22 H GLU 22 5.392 -3.367 3.575 149 HA GLU 22 HA GLU 22 3.399 -5.207 2.777 150 1HB GLU 22 1HB GLU 22 6.184 -5.534 3.974 151 2HB GLU 22 2HB GLU 22 5.233 -6.877 3.394 152 1HG GLU 22 1HG GLU 22 5.033 -5.200 1.219 153 2HG GLU 22 2HG GLU 22 6.567 -4.685 1.859 154 H SER 23 H SER 23 4.846 -4.730 6.079 155 HA SER 23 HA SER 23 3.098 -6.656 7.256 156 1HB SER 23 1HB SER 23 5.292 -5.814 8.170 157 2HB SER 23 2HB SER 23 4.505 -4.272 8.548 158 HG SER 23 HG SER 23 2.961 -5.673 9.800 159 H THR 24 H THR 24 2.663 -3.116 7.112 160 HA THR 24 HA THR 24 0.387 -3.151 8.900 161 HB THR 24 HB THR 24 1.619 -0.973 7.136 162 HG1 THR 24 HG1 THR 24 2.384 -0.353 9.162 163 1HG2 THR 24 1HG2 THR 24 -0.595 -0.742 9.232 164 2HG2 THR 24 2HG2 THR 24 -0.732 -0.344 7.505 165 3HG2 THR 24 3HG2 THR 24 0.310 0.626 8.546 166 H LEU 25 H LEU 25 0.775 -3.114 5.384 167 HA LEU 25 HA LEU 25 -2.112 -2.977 4.936 168 1HB LEU 25 1HB LEU 25 0.249 -3.726 3.211 169 2HB LEU 25 2HB LEU 25 -1.386 -3.837 2.627 170 HG LEU 25 HG LEU 25 0.128 -1.721 2.124 171 1HD1 LEU 25 1HD1 LEU 25 -2.040 -2.094 1.182 172 2HD1 LEU 25 2HD1 LEU 25 -1.940 -0.420 1.749 173 3HD1 LEU 25 3HD1 LEU 25 -2.845 -1.615 2.692 174 1HD2 LEU 25 1HD2 LEU 25 0.503 -0.928 4.426 175 2HD2 LEU 25 2HD2 LEU 25 -1.257 -0.806 4.688 176 3HD2 LEU 25 3HD2 LEU 25 -0.458 0.237 3.524 177 H SER 26 H SER 26 0.331 -5.736 5.107 178 HA SER 26 HA SER 26 -1.728 -7.584 4.230 179 1HB SER 26 1HB SER 26 0.681 -7.943 3.865 180 2HB SER 26 2HB SER 26 0.926 -8.154 5.590 181 HG SER 26 HG SER 26 -0.656 -9.864 5.443 182 H ALA 27 H ALA 27 -2.191 -5.970 6.772 183 HA ALA 27 HA ALA 27 -3.076 -8.183 8.595 184 1HB ALA 27 1HB ALA 27 -2.968 -6.469 10.379 185 2HB ALA 27 2HB ALA 27 -1.391 -6.625 9.575 186 3HB ALA 27 3HB ALA 27 -2.444 -5.246 9.196 187 H LEU 28 H LEU 28 -4.221 -5.999 6.218 188 HA LEU 28 HA LEU 28 -6.420 -4.899 7.697 189 1HB LEU 28 1HB LEU 28 -5.892 -5.062 4.705 190 2HB LEU 28 2HB LEU 28 -7.182 -4.123 5.442 191 HG LEU 28 HG LEU 28 -4.286 -3.643 6.232 192 1HD1 LEU 28 1HD1 LEU 28 -4.061 -1.969 4.564 193 2HD1 LEU 28 2HD1 LEU 28 -5.724 -2.144 4.010 194 3HD1 LEU 28 3HD1 LEU 28 -4.537 -3.441 3.713 195 1HD2 LEU 28 1HD2 LEU 28 -6.775 -1.892 6.224 196 2HD2 LEU 28 2HD2 LEU 28 -5.143 -1.408 6.764 197 3HD2 LEU 28 3HD2 LEU 28 -6.038 -2.651 7.656 198 H GLN 29 H GLN 29 -8.477 -5.628 7.968 199 HA GLN 29 HA GLN 29 -8.958 -8.367 7.750 200 1HB GLN 29 1HB GLN 29 -9.956 -6.435 9.286 201 2HB GLN 29 2HB GLN 29 -11.240 -6.416 8.073 202 1HG GLN 29 1HG GLN 29 -11.455 -8.965 8.508 203 2HG GLN 29 2HG GLN 29 -10.342 -8.729 9.852 204 1HE2 GLN 29 1HE2 GLN 29 -13.651 -8.337 8.751 205 2HE2 GLN 29 2HE2 GLN 29 -14.222 -7.660 10.285 206 H TYR 30 H TYR 30 -9.113 -6.418 5.090 207 HA TYR 30 HA TYR 30 -10.925 -8.322 3.668 208 1HB TYR 30 1HB TYR 30 -11.080 -6.410 1.962 209 2HB TYR 30 2HB TYR 30 -12.001 -6.317 3.443 210 HD1 TYR 30 HD1 TYR 30 -8.330 -5.318 2.941 211 HD2 TYR 30 HD2 TYR 30 -12.398 -4.063 3.711 212 HE1 TYR 30 HE1 TYR 30 -7.555 -3.056 3.341 213 HE2 TYR 30 HE2 TYR 30 -11.583 -1.757 4.154 214 HH TYR 30 HH TYR 30 -8.122 -0.887 3.947 215 H VAL 31 H VAL 31 -7.585 -7.675 4.044 216 HA VAL 31 HA VAL 31 -7.108 -7.782 1.105 217 HB VAL 31 HB VAL 31 -5.944 -5.989 2.397 218 1HG1 VAL 31 1HG1 VAL 31 -4.177 -8.220 3.294 219 2HG1 VAL 31 2HG1 VAL 31 -3.939 -6.451 3.354 220 3HG1 VAL 31 3HG1 VAL 31 -5.255 -7.181 4.295 221 1HG2 VAL 31 1HG2 VAL 31 -5.133 -6.682 0.115 222 2HG2 VAL 31 2HG2 VAL 31 -3.804 -6.210 1.174 223 3HG2 VAL 31 3HG2 VAL 31 -4.092 -7.915 0.889 224 H SER 32 H SER 32 -6.041 -9.389 0.075 225 HA SER 32 HA SER 32 -5.909 -12.022 1.502 226 1HB SER 32 1HB SER 32 -7.380 -11.976 -0.395 227 2HB SER 32 2HB SER 32 -6.201 -11.103 -1.379 228 HG SER 32 HG SER 32 -4.873 -12.923 -1.362 229 H SER 33 H SER 33 -3.983 -9.731 -0.431 230 HA SER 33 HA SER 33 -1.481 -11.207 0.050 231 1HB SER 33 1HB SER 33 -1.856 -10.707 -2.825 232 2HB SER 33 2HB SER 33 -1.291 -12.050 -2.109 233 HG SER 33 HG SER 33 -3.242 -12.457 -3.228 234 H ILE 34 H ILE 34 0.391 -9.986 -0.728 235 HA ILE 34 HA ILE 34 0.116 -7.399 -2.001 236 HB ILE 34 HB ILE 34 -0.362 -6.803 0.349 237 1HG1 ILE 34 1HG1 ILE 34 2.420 -5.793 -0.355 238 2HG1 ILE 34 2HG1 ILE 34 0.962 -5.294 -1.222 239 1HG2 ILE 34 1HG2 ILE 34 1.358 -7.029 2.114 240 2HG2 ILE 34 2HG2 ILE 34 0.845 -8.609 1.528 241 3HG2 ILE 34 3HG2 ILE 34 2.401 -7.925 1.009 242 1HD1 ILE 34 1HD1 ILE 34 -0.009 -4.444 0.876 243 2HD1 ILE 34 2HD1 ILE 34 1.480 -4.870 1.740 244 3HD1 ILE 34 3HD1 ILE 34 1.523 -3.642 0.466 245 H VAL 35 H VAL 35 2.034 -6.666 -2.850 246 HA VAL 35 HA VAL 35 4.609 -7.913 -2.111 247 HB VAL 35 HB VAL 35 3.510 -7.776 -4.954 248 1HG1 VAL 35 1HG1 VAL 35 5.806 -8.370 -5.773 249 2HG1 VAL 35 2HG1 VAL 35 5.707 -6.728 -5.154 250 3HG1 VAL 35 3HG1 VAL 35 6.449 -8.003 -4.159 251 1HG2 VAL 35 1HG2 VAL 35 3.230 -9.941 -3.776 252 2HG2 VAL 35 2HG2 VAL 35 4.522 -10.142 -4.969 253 3HG2 VAL 35 3HG2 VAL 35 4.936 -9.873 -3.251 254 H VAL 36 H VAL 36 5.943 -6.363 -1.682 255 HA VAL 36 HA VAL 36 5.500 -3.671 -2.994 256 HB VAL 36 HB VAL 36 7.016 -4.453 -0.520 257 1HG1 VAL 36 1HG1 VAL 36 8.444 -2.779 -1.568 258 2HG1 VAL 36 2HG1 VAL 36 7.037 -1.752 -1.934 259 3HG1 VAL 36 3HG1 VAL 36 7.502 -2.032 -0.262 260 1HG2 VAL 36 1HG2 VAL 36 4.485 -3.956 -0.500 261 2HG2 VAL 36 2HG2 VAL 36 5.475 -2.869 0.516 262 3HG2 VAL 36 3HG2 VAL 36 4.898 -2.335 -1.070 263 H SER 37 H SER 37 6.954 -2.558 -4.064 264 HA SER 37 HA SER 37 8.985 -4.077 -5.589 265 1HB SER 37 1HB SER 37 8.215 -1.138 -5.701 266 2HB SER 37 2HB SER 37 9.166 -2.056 -6.884 267 HG SER 37 HG SER 37 6.687 -3.135 -6.286 268 H LEU 38 H LEU 38 10.398 -4.550 -3.836 269 HA LEU 38 HA LEU 38 11.584 -3.119 -1.931 270 1HB LEU 38 1HB LEU 38 11.862 -5.587 -2.865 271 2HB LEU 38 2HB LEU 38 13.253 -4.905 -3.717 272 HG LEU 38 HG LEU 38 13.653 -6.212 -1.600 273 1HD1 LEU 38 1HD1 LEU 38 15.548 -4.874 -0.956 274 2HD1 LEU 38 2HD1 LEU 38 14.793 -3.430 -1.653 275 3HD1 LEU 38 3HD1 LEU 38 15.319 -4.753 -2.715 276 1HD2 LEU 38 1HD2 LEU 38 12.830 -3.637 -0.206 277 2HD2 LEU 38 2HD2 LEU 38 13.514 -5.088 0.545 278 3HD2 LEU 38 3HD2 LEU 38 11.900 -5.161 -0.186 279 H GLU 39 H GLU 39 12.680 -3.029 -5.298 280 HA GLU 39 HA GLU 39 14.807 -1.206 -4.670 281 1HB GLU 39 1HB GLU 39 13.742 -2.315 -7.297 282 2HB GLU 39 2HB GLU 39 15.079 -1.174 -7.242 283 1HG GLU 39 1HG GLU 39 15.035 -3.954 -6.011 284 2HG GLU 39 2HG GLU 39 15.979 -3.416 -7.409 285 H ASN 40 H ASN 40 11.621 -0.549 -4.956 286 HA ASN 40 HA ASN 40 11.863 2.198 -6.119 287 1HB ASN 40 1HB ASN 40 10.077 -0.081 -6.988 288 2HB ASN 40 2HB ASN 40 9.537 1.578 -7.174 289 1HD2 ASN 40 1HD2 ASN 40 13.016 0.964 -7.597 290 2HD2 ASN 40 2HD2 ASN 40 12.921 1.035 -9.346 291 H ARG 41 H ARG 41 9.379 3.014 -5.838 292 HA ARG 41 HA ARG 41 8.947 2.970 -2.882 293 1HB ARG 41 1HB ARG 41 8.300 5.304 -3.154 294 2HB ARG 41 2HB ARG 41 9.937 5.000 -3.633 295 1HG ARG 41 1HG ARG 41 8.196 4.739 -5.962 296 2HG ARG 41 2HG ARG 41 7.820 6.251 -5.153 297 1HD ARG 41 1HD ARG 41 10.704 5.464 -5.638 298 2HD ARG 41 2HD ARG 41 9.726 6.065 -6.945 299 HE ARG 41 HE ARG 41 9.255 8.104 -5.379 300 1HH1 ARG 41 1HH1 ARG 41 12.392 6.408 -5.271 301 2HH1 ARG 41 2HH1 ARG 41 13.180 7.835 -4.660 302 1HH2 ARG 41 1HH2 ARG 41 10.337 9.799 -4.641 303 2HH2 ARG 41 2HH2 ARG 41 12.045 9.756 -4.333 304 H SER 42 H SER 42 7.570 1.097 -4.740 305 HA SER 42 HA SER 42 4.767 2.020 -4.320 306 1HB SER 42 1HB SER 42 4.291 0.780 -6.535 307 2HB SER 42 2HB SER 42 5.187 2.277 -6.674 308 HG SER 42 HG SER 42 6.218 -0.402 -6.825 309 H ALA 43 H ALA 43 3.171 0.407 -4.473 310 HA ALA 43 HA ALA 43 3.913 -2.365 -3.593 311 1HB ALA 43 1HB ALA 43 2.250 -2.188 -1.813 312 2HB ALA 43 2HB ALA 43 3.359 -0.814 -1.625 313 3HB ALA 43 3HB ALA 43 1.762 -0.565 -2.348 314 H ILE 44 H ILE 44 2.628 -3.921 -4.340 315 HA ILE 44 HA ILE 44 0.166 -3.260 -5.908 316 HB ILE 44 HB ILE 44 2.106 -5.587 -6.252 317 1HG1 ILE 44 1HG1 ILE 44 1.354 -3.321 -8.170 318 2HG1 ILE 44 2HG1 ILE 44 2.849 -3.373 -7.238 319 1HG2 ILE 44 1HG2 ILE 44 -0.268 -6.280 -6.521 320 2HG2 ILE 44 2HG2 ILE 44 -0.527 -4.959 -7.683 321 3HG2 ILE 44 3HG2 ILE 44 0.566 -6.310 -8.064 322 1HD1 ILE 44 1HD1 ILE 44 3.338 -4.099 -9.466 323 2HD1 ILE 44 2HD1 ILE 44 3.481 -5.502 -8.387 324 3HD1 ILE 44 3HD1 ILE 44 2.053 -5.314 -9.438 325 H VAL 45 H VAL 45 -1.509 -3.711 -4.714 326 HA VAL 45 HA VAL 45 -1.263 -5.527 -2.329 327 HB VAL 45 HB VAL 45 -3.051 -3.122 -2.693 328 1HG1 VAL 45 1HG1 VAL 45 -3.833 -4.815 -1.034 329 2HG1 VAL 45 2HG1 VAL 45 -2.242 -4.789 -0.244 330 3HG1 VAL 45 3HG1 VAL 45 -3.292 -3.361 -0.196 331 1HG2 VAL 45 1HG2 VAL 45 -0.408 -3.221 -1.195 332 2HG2 VAL 45 2HG2 VAL 45 -0.753 -2.274 -2.650 333 3HG2 VAL 45 3HG2 VAL 45 -1.580 -1.886 -1.145 334 H VAL 46 H VAL 46 -2.810 -7.155 -2.203 335 HA VAL 46 HA VAL 46 -4.763 -7.417 -4.452 336 HB VAL 46 HB VAL 46 -3.257 -9.432 -2.993 337 1HG1 VAL 46 1HG1 VAL 46 -4.868 -9.859 -5.518 338 2HG1 VAL 46 2HG1 VAL 46 -3.893 -11.076 -4.636 339 3HG1 VAL 46 3HG1 VAL 46 -5.332 -10.384 -3.880 340 1HG2 VAL 46 1HG2 VAL 46 -2.649 -8.324 -5.749 341 2HG2 VAL 46 2HG2 VAL 46 -1.613 -8.259 -4.310 342 3HG2 VAL 46 3HG2 VAL 46 -1.919 -9.804 -5.098 343 H TYR 47 H TYR 47 -6.838 -7.171 -3.579 344 HA TYR 47 HA TYR 47 -7.296 -8.087 -0.768 345 1HB TYR 47 1HB TYR 47 -8.463 -6.071 -0.241 346 2HB TYR 47 2HB TYR 47 -6.873 -5.650 -0.835 347 HD1 TYR 47 HD1 TYR 47 -6.550 -4.728 -3.134 348 HD2 TYR 47 HD2 TYR 47 -10.471 -5.383 -1.470 349 HE1 TYR 47 HE1 TYR 47 -7.523 -3.222 -4.844 350 HE2 TYR 47 HE2 TYR 47 -11.453 -3.973 -3.273 351 HH TYR 47 HH TYR 47 -9.488 -2.659 -5.918 352 H ASN 48 H ASN 48 -9.427 -8.616 -0.188 353 HA ASN 48 HA ASN 48 -11.076 -9.612 -2.452 354 1HB ASN 48 1HB ASN 48 -10.448 -11.287 -0.797 355 2HB ASN 48 2HB ASN 48 -11.073 -10.277 0.518 356 1HD2 ASN 48 1HD2 ASN 48 -12.178 -11.949 -2.557 357 2HD2 ASN 48 2HD2 ASN 48 -13.799 -12.142 -1.943 358 H ALA 49 H ALA 49 -13.074 -8.852 -2.863 359 HA ALA 49 HA ALA 49 -14.723 -7.223 -1.172 360 1HB ALA 49 1HB ALA 49 -14.304 -5.084 -2.498 361 2HB ALA 49 2HB ALA 49 -12.950 -5.538 -1.456 362 3HB ALA 49 3HB ALA 49 -12.872 -5.883 -3.201 363 H SER 50 H SER 50 -16.799 -7.021 -2.161 364 HA SER 50 HA SER 50 -17.213 -7.998 -4.897 365 1HB SER 50 1HB SER 50 -19.045 -6.369 -3.088 366 2HB SER 50 2HB SER 50 -19.500 -7.142 -4.621 367 HG SER 50 HG SER 50 -20.031 -8.519 -2.904 368 H SER 51 H SER 51 -16.908 -4.853 -3.306 369 HA SER 51 HA SER 51 -15.399 -3.629 -5.230 370 1HB SER 51 1HB SER 51 -17.482 -3.488 -6.623 371 2HB SER 51 2HB SER 51 -18.217 -2.502 -5.342 372 HG SER 51 HG SER 51 -17.129 -1.321 -7.075 373 H VAL 52 H VAL 52 -15.143 -1.278 -4.627 374 HA VAL 52 HA VAL 52 -15.688 -0.008 -2.244 375 HB VAL 52 HB VAL 52 -14.904 -2.047 -1.022 376 1HG1 VAL 52 1HG1 VAL 52 -12.581 -2.733 -1.035 377 2HG1 VAL 52 2HG1 VAL 52 -13.235 -2.825 -2.677 378 3HG1 VAL 52 3HG1 VAL 52 -12.167 -1.480 -2.224 379 1HG2 VAL 52 1HG2 VAL 52 -14.647 0.241 -0.026 380 2HG2 VAL 52 2HG2 VAL 52 -13.580 -1.021 0.613 381 3HG2 VAL 52 3HG2 VAL 52 -12.932 0.181 -0.503 382 H THR 53 H THR 53 -13.845 1.607 -1.731 383 HA THR 53 HA THR 53 -12.658 2.479 -4.248 384 HB THR 53 HB THR 53 -13.593 4.202 -2.958 385 HG1 THR 53 HG1 THR 53 -11.888 5.526 -3.094 386 1HG2 THR 53 1HG2 THR 53 -11.593 3.597 -0.744 387 2HG2 THR 53 2HG2 THR 53 -13.335 3.261 -0.663 388 3HG2 THR 53 3HG2 THR 53 -12.762 4.929 -0.797 389 HA PRO 54 HA PRO 54 -8.584 0.525 -3.401 390 1HB PRO 54 1HB PRO 54 -7.107 1.970 -5.158 391 2HB PRO 54 2HB PRO 54 -8.180 0.630 -5.659 392 1HG PRO 54 1HG PRO 54 -8.798 3.603 -5.690 393 2HG PRO 54 2HG PRO 54 -9.026 2.410 -7.011 394 1HD PRO 54 1HD PRO 54 -11.049 3.146 -5.392 395 2HD PRO 54 2HD PRO 54 -10.891 1.439 -5.904 396 H GLU 55 H GLU 55 -9.584 3.960 -3.062 397 HA GLU 55 HA GLU 55 -7.095 4.674 -1.889 398 1HB GLU 55 1HB GLU 55 -9.005 6.226 -2.868 399 2HB GLU 55 2HB GLU 55 -9.544 6.260 -1.167 400 1HG GLU 55 1HG GLU 55 -7.174 6.849 -0.517 401 2HG GLU 55 2HG GLU 55 -6.733 6.819 -2.219 402 H SER 56 H SER 56 -9.451 2.621 -0.615 403 HA SER 56 HA SER 56 -9.134 3.165 2.225 404 1HB SER 56 1HB SER 56 -9.814 0.811 2.460 405 2HB SER 56 2HB SER 56 -10.925 1.712 1.412 406 HG SER 56 HG SER 56 -10.198 0.619 -0.342 407 H LEU 57 H LEU 57 -7.368 1.083 -0.098 408 HA LEU 57 HA LEU 57 -5.371 0.244 1.843 409 1HB LEU 57 1HB LEU 57 -5.277 0.253 -1.178 410 2HB LEU 57 2HB LEU 57 -4.186 -0.617 -0.118 411 HG LEU 57 HG LEU 57 -7.163 -1.170 -0.546 412 1HD1 LEU 57 1HD1 LEU 57 -6.247 -2.038 -2.446 413 2HD1 LEU 57 2HD1 LEU 57 -5.785 -3.396 -1.377 414 3HD1 LEU 57 3HD1 LEU 57 -4.626 -2.112 -1.763 415 1HD2 LEU 57 1HD2 LEU 57 -5.207 -2.854 1.098 416 2HD2 LEU 57 2HD2 LEU 57 -6.881 -3.266 0.680 417 3HD2 LEU 57 3HD2 LEU 57 -6.551 -1.873 1.734 418 H ARG 58 H ARG 58 -5.417 2.772 -0.738 419 HA ARG 58 HA ARG 58 -2.877 3.875 -0.401 420 1HB ARG 58 1HB ARG 58 -4.707 4.541 -2.020 421 2HB ARG 58 2HB ARG 58 -5.440 5.471 -0.774 422 1HG ARG 58 1HG ARG 58 -2.568 5.970 -1.318 423 2HG ARG 58 2HG ARG 58 -3.651 6.440 -2.607 424 1HD ARG 58 1HD ARG 58 -4.218 7.470 0.175 425 2HD ARG 58 2HD ARG 58 -2.851 8.130 -0.719 426 HE ARG 58 HE ARG 58 -5.438 8.128 -2.143 427 1HH1 ARG 58 1HH1 ARG 58 -3.109 10.202 -0.354 428 2HH1 ARG 58 2HH1 ARG 58 -3.808 11.620 -1.078 429 1HH2 ARG 58 1HH2 ARG 58 -6.375 10.009 -2.725 430 2HH2 ARG 58 2HH2 ARG 58 -5.554 11.514 -2.448 431 H LYS 59 H LYS 59 -5.825 4.700 1.528 432 HA LYS 59 HA LYS 59 -4.514 6.298 3.479 433 1HB LYS 59 1HB LYS 59 -7.161 4.977 3.108 434 2HB LYS 59 2HB LYS 59 -6.672 5.164 4.771 435 1HG LYS 59 1HG LYS 59 -7.962 7.097 3.951 436 2HG LYS 59 2HG LYS 59 -6.350 7.519 4.556 437 1HD LYS 59 1HD LYS 59 -5.549 7.598 2.152 438 2HD LYS 59 2HD LYS 59 -7.224 7.349 1.653 439 1HE LYS 59 1HE LYS 59 -7.886 9.461 2.627 440 2HE LYS 59 2HE LYS 59 -6.353 9.586 3.525 441 1HZ LYS 59 1HZ LYS 59 -6.298 10.973 1.572 442 2HZ LYS 59 2HZ LYS 59 -6.658 9.704 0.597 443 3HZ LYS 59 3HZ LYS 59 -5.194 9.749 1.420 444 H ALA 60 H ALA 60 -4.895 2.687 3.475 445 HA ALA 60 HA ALA 60 -3.785 2.425 6.130 446 1HB ALA 60 1HB ALA 60 -5.041 0.642 4.937 447 2HB ALA 60 2HB ALA 60 -3.684 0.466 3.797 448 3HB ALA 60 3HB ALA 60 -3.452 0.105 5.518 449 H ILE 61 H ILE 61 -2.267 2.743 2.922 450 HA ILE 61 HA ILE 61 0.431 2.508 3.935 451 HB ILE 61 HB ILE 61 -0.460 3.986 1.418 452 1HG1 ILE 61 1HG1 ILE 61 0.331 1.059 1.667 453 2HG1 ILE 61 2HG1 ILE 61 -1.275 1.659 1.367 454 1HG2 ILE 61 1HG2 ILE 61 2.217 2.797 2.260 455 2HG2 ILE 61 2HG2 ILE 61 1.872 3.456 0.649 456 3HG2 ILE 61 3HG2 ILE 61 1.828 4.501 2.030 457 1HD1 ILE 61 1HD1 ILE 61 -0.446 0.940 -0.717 458 2HD1 ILE 61 2HD1 ILE 61 -0.483 2.715 -0.754 459 3HD1 ILE 61 3HD1 ILE 61 1.058 1.851 -0.544 460 H GLU 62 H GLU 62 -1.467 5.513 3.102 461 HA GLU 62 HA GLU 62 0.387 7.315 4.204 462 1HB GLU 62 1HB GLU 62 -2.651 7.531 4.013 463 2HB GLU 62 2HB GLU 62 -1.533 8.842 4.467 464 1HG GLU 62 1HG GLU 62 -0.356 8.680 2.397 465 2HG GLU 62 2HG GLU 62 -1.372 7.325 1.869 466 H ALA 63 H ALA 63 -1.731 5.101 5.940 467 HA ALA 63 HA ALA 63 -1.281 6.479 8.493 468 1HB ALA 63 1HB ALA 63 -3.498 5.498 7.963 469 2HB ALA 63 2HB ALA 63 -2.745 3.890 7.825 470 3HB ALA 63 3HB ALA 63 -2.774 4.728 9.388 471 H VAL 64 H VAL 64 0.790 4.725 6.770 472 HA VAL 64 HA VAL 64 1.913 3.306 9.137 473 HB VAL 64 HB VAL 64 1.757 2.263 6.654 474 1HG1 VAL 64 1HG1 VAL 64 3.209 3.926 5.637 475 2HG1 VAL 64 2HG1 VAL 64 4.579 3.253 6.544 476 3HG1 VAL 64 3HG1 VAL 64 3.670 2.217 5.418 477 1HG2 VAL 64 1HG2 VAL 64 4.229 2.002 8.462 478 2HG2 VAL 64 2HG2 VAL 64 2.666 1.274 8.882 479 3HG2 VAL 64 3HG2 VAL 64 3.524 0.720 7.429 480 H SER 65 H SER 65 2.568 5.959 6.877 481 HA SER 65 HA SER 65 4.235 7.091 9.010 482 1HB SER 65 1HB SER 65 5.541 7.549 6.432 483 2HB SER 65 2HB SER 65 6.124 7.263 8.073 484 HG SER 65 HG SER 65 5.458 5.048 7.755 485 HA PRO 66 HA PRO 66 0.992 9.827 7.144 486 1HB PRO 66 1HB PRO 66 0.012 10.736 9.623 487 2HB PRO 66 2HB PRO 66 -0.651 9.393 8.648 488 1HG PRO 66 1HG PRO 66 1.299 9.249 10.958 489 2HG PRO 66 2HG PRO 66 -0.126 8.205 10.631 490 1HD PRO 66 1HD PRO 66 2.321 7.303 9.987 491 2HD PRO 66 2HD PRO 66 1.019 7.096 8.839 492 H GLY 67 H GLY 67 1.198 11.921 6.703 493 1HA GLY 67 1HA GLY 67 1.995 14.124 6.769 494 2HA GLY 67 2HA GLY 67 2.843 13.766 8.296 495 H LEU 68 H LEU 68 4.104 11.348 6.948 496 HA LEU 68 HA LEU 68 6.357 12.718 5.562 497 1HB LEU 68 1HB LEU 68 6.822 11.265 7.477 498 2HB LEU 68 2HB LEU 68 6.009 9.923 6.692 499 HG LEU 68 HG LEU 68 7.690 9.947 4.867 500 1HD1 LEU 68 1HD1 LEU 68 8.976 12.112 6.597 501 2HD1 LEU 68 2HD1 LEU 68 8.461 12.256 4.894 502 3HD1 LEU 68 3HD1 LEU 68 9.832 11.222 5.323 503 1HD2 LEU 68 1HD2 LEU 68 8.780 9.751 7.701 504 2HD2 LEU 68 2HD2 LEU 68 9.514 9.031 6.251 505 3HD2 LEU 68 3HD2 LEU 68 7.929 8.467 6.806 506 H TYR 69 H TYR 69 4.228 9.880 5.152 507 HA TYR 69 HA TYR 69 4.947 9.299 2.441 508 1HB TYR 69 1HB TYR 69 2.743 8.415 4.339 509 2HB TYR 69 2HB TYR 69 2.753 7.968 2.661 510 HD1 TYR 69 HD1 TYR 69 2.686 5.680 3.470 511 HD2 TYR 69 HD2 TYR 69 6.154 8.164 4.071 512 HE1 TYR 69 HE1 TYR 69 4.048 3.692 3.550 513 HE2 TYR 69 HE2 TYR 69 7.489 6.150 4.492 514 HH TYR 69 HH TYR 69 6.110 2.868 4.120 515 H ARG 70 H ARG 70 4.535 10.449 0.763 516 HA ARG 70 HA ARG 70 1.872 11.732 0.280 517 1HB ARG 70 1HB ARG 70 4.622 11.752 -1.059 518 2HB ARG 70 2HB ARG 70 3.209 12.089 -1.970 519 1HG ARG 70 1HG ARG 70 4.232 14.136 -1.165 520 2HG ARG 70 2HG ARG 70 2.626 13.985 -0.441 521 1HD ARG 70 1HD ARG 70 3.547 13.277 1.673 522 2HD ARG 70 2HD ARG 70 5.146 13.049 0.969 523 HE ARG 70 HE ARG 70 4.339 15.775 0.629 524 1HH1 ARG 70 1HH1 ARG 70 5.561 13.636 3.157 525 2HH1 ARG 70 2HH1 ARG 70 5.506 14.866 4.377 526 1HH2 ARG 70 1HH2 ARG 70 4.751 17.449 2.154 527 2HH2 ARG 70 2HH2 ARG 70 5.424 17.020 3.704 528 H VAL 71 H VAL 71 0.486 9.980 -0.116 529 HA VAL 71 HA VAL 71 1.527 7.905 -2.029 530 HB VAL 71 HB VAL 71 -0.798 7.391 -0.221 531 1HG1 VAL 71 1HG1 VAL 71 1.157 5.519 -1.634 532 2HG1 VAL 71 2HG1 VAL 71 -0.194 5.038 -0.592 533 3HG1 VAL 71 3HG1 VAL 71 -0.509 5.816 -2.136 534 1HG2 VAL 71 1HG2 VAL 71 2.144 6.764 0.304 535 2HG2 VAL 71 2HG2 VAL 71 1.209 7.968 1.164 536 3HG2 VAL 71 3HG2 VAL 71 0.759 6.274 1.312 537 H SER 72 H SER 72 0.602 7.293 -3.821 538 HA SER 72 HA SER 72 -2.044 8.433 -4.620 539 1HB SER 72 1HB SER 72 0.615 8.710 -6.067 540 2HB SER 72 2HB SER 72 -0.959 9.140 -6.727 541 HG SER 72 HG SER 72 0.112 10.207 -4.330 542 H ILE 73 H ILE 73 -2.902 7.487 -6.578 543 HA ILE 73 HA ILE 73 -2.112 4.643 -7.139 544 HB ILE 73 HB ILE 73 -4.714 6.154 -7.708 545 1HG1 ILE 73 1HG1 ILE 73 -4.250 3.958 -5.670 546 2HG1 ILE 73 2HG1 ILE 73 -4.318 5.664 -5.237 547 1HG2 ILE 73 1HG2 ILE 73 -4.078 3.179 -8.009 548 2HG2 ILE 73 2HG2 ILE 73 -5.613 3.975 -8.401 549 3HG2 ILE 73 3HG2 ILE 73 -4.186 4.334 -9.353 550 1HD1 ILE 73 1HD1 ILE 73 -6.637 5.802 -6.138 551 2HD1 ILE 73 2HD1 ILE 73 -6.596 4.043 -6.402 552 3HD1 ILE 73 3HD1 ILE 73 -6.461 4.697 -4.762 553 H THR 74 H THR 74 -0.912 4.450 -8.968 554 HA THR 74 HA THR 74 -0.816 6.705 -10.830 555 HB THR 74 HB THR 74 0.800 4.349 -11.555 556 HG1 THR 74 HG1 THR 74 1.419 5.604 -9.102 557 1HG2 THR 74 1HG2 THR 74 1.463 7.178 -10.611 558 2HG2 THR 74 2HG2 THR 74 1.188 6.697 -12.304 559 3HG2 THR 74 3HG2 THR 74 2.589 6.056 -11.418 560 H SER 75 H SER 75 -2.481 6.847 -12.215 561 HA SER 75 HA SER 75 -2.948 4.692 -14.191 562 1HB SER 75 1HB SER 75 -5.007 5.705 -12.190 563 2HB SER 75 2HB SER 75 -5.433 4.816 -13.649 564 HG SER 75 HG SER 75 -3.446 3.659 -12.038 565 H GLU 76 H GLU 76 -4.938 5.468 -15.663 566 HA GLU 76 HA GLU 76 -4.433 8.268 -16.448 567 1HB GLU 76 1HB GLU 76 -4.839 6.435 -18.151 568 2HB GLU 76 2HB GLU 76 -6.516 6.380 -17.627 569 1HG GLU 76 1HG GLU 76 -5.290 9.049 -18.423 570 2HG GLU 76 2HG GLU 76 -5.683 7.873 -19.681 571 H VAL 77 H VAL 77 -5.446 9.766 -15.474 572 HA VAL 77 HA VAL 77 -8.239 9.663 -14.685 573 HB VAL 77 HB VAL 77 -7.934 10.712 -12.515 574 1HG1 VAL 77 1HG1 VAL 77 -6.247 8.170 -12.527 575 2HG1 VAL 77 2HG1 VAL 77 -7.175 8.846 -11.180 576 3HG1 VAL 77 3HG1 VAL 77 -8.031 8.206 -12.591 577 1HG2 VAL 77 1HG2 VAL 77 -4.931 10.356 -12.903 578 2HG2 VAL 77 2HG2 VAL 77 -5.840 11.885 -12.735 579 3HG2 VAL 77 3HG2 VAL 77 -5.720 10.779 -11.372 Start of MODEL 30 1 1H ASN 1 1HT ASN 1 -11.778 -14.600 -7.805 2 HA ASN 1 HA ASN 1 -13.001 -12.755 -8.137 3 1HB ASN 1 1HB ASN 1 -14.906 -14.210 -7.211 4 2HB ASN 1 2HB ASN 1 -14.715 -13.323 -5.695 5 1HD2 ASN 1 1HD2 ASN 1 -14.959 -12.564 -9.249 6 2HD2 ASN 1 2HD2 ASN 1 -16.111 -11.261 -8.991 7 H ASP 2 H ASP 2 -10.796 -13.022 -5.876 8 HA ASP 2 HA ASP 2 -10.937 -10.638 -4.355 9 1HB ASP 2 1HB ASP 2 -8.367 -10.975 -4.350 10 2HB ASP 2 2HB ASP 2 -9.419 -12.128 -3.555 11 H SER 3 H SER 3 -9.814 -8.721 -4.552 12 HA SER 3 HA SER 3 -9.640 -7.601 -7.309 13 1HB SER 3 1HB SER 3 -11.597 -6.875 -5.959 14 2HB SER 3 2HB SER 3 -10.525 -6.284 -4.699 15 HG SER 3 HG SER 3 -11.428 -4.781 -6.351 16 H THR 4 H THR 4 -8.416 -5.342 -7.008 17 HA THR 4 HA THR 4 -6.238 -5.420 -5.137 18 HB THR 4 HB THR 4 -5.612 -7.065 -7.121 19 HG1 THR 4 HG1 THR 4 -4.370 -6.323 -5.310 20 1HG2 THR 4 1HG2 THR 4 -5.781 -5.227 -8.909 21 2HG2 THR 4 2HG2 THR 4 -4.227 -6.096 -8.818 22 3HG2 THR 4 3HG2 THR 4 -4.360 -4.475 -8.118 23 H ALA 5 H ALA 5 -4.738 -3.690 -5.370 24 HA ALA 5 HA ALA 5 -5.308 -1.550 -7.255 25 1HB ALA 5 1HB ALA 5 -5.626 -1.155 -4.256 26 2HB ALA 5 2HB ALA 5 -5.478 0.184 -5.422 27 3HB ALA 5 3HB ALA 5 -6.875 -0.925 -5.498 28 H THR 6 H THR 6 -3.639 0.108 -7.192 29 HA THR 6 HA THR 6 -1.069 -0.761 -5.976 30 HB THR 6 HB THR 6 -1.457 -0.580 -8.671 31 HG1 THR 6 HG1 THR 6 0.825 -0.683 -8.628 32 1HG2 THR 6 1HG2 THR 6 0.145 1.901 -7.969 33 2HG2 THR 6 2HG2 THR 6 -1.513 1.932 -8.637 34 3HG2 THR 6 3HG2 THR 6 -0.187 1.237 -9.577 35 H PHE 7 H PHE 7 0.289 0.799 -5.395 36 HA PHE 7 HA PHE 7 -0.704 3.551 -4.951 37 1HB PHE 7 1HB PHE 7 0.106 1.826 -2.609 38 2HB PHE 7 2HB PHE 7 -0.492 3.477 -2.567 39 HD1 PHE 7 HD1 PHE 7 -2.896 4.022 -3.023 40 HD2 PHE 7 HD2 PHE 7 -1.546 -0.104 -2.898 41 HE1 PHE 7 HE1 PHE 7 -5.203 3.222 -3.113 42 HE2 PHE 7 HE2 PHE 7 -3.846 -0.844 -2.915 43 HZ PHE 7 HZ PHE 7 -5.716 0.810 -3.002 44 H ILE 8 H ILE 8 0.912 5.045 -4.661 45 HA ILE 8 HA ILE 8 3.713 4.090 -4.382 46 HB ILE 8 HB ILE 8 3.146 4.602 -6.726 47 1HG1 ILE 8 1HG1 ILE 8 4.996 6.816 -5.794 48 2HG1 ILE 8 2HG1 ILE 8 5.376 5.131 -5.448 49 1HG2 ILE 8 1HG2 ILE 8 2.504 7.416 -5.796 50 2HG2 ILE 8 2HG2 ILE 8 2.791 6.945 -7.481 51 3HG2 ILE 8 3HG2 ILE 8 1.435 6.247 -6.604 52 1HD1 ILE 8 1HD1 ILE 8 5.338 4.487 -7.747 53 2HD1 ILE 8 2HD1 ILE 8 4.874 6.136 -8.256 54 3HD1 ILE 8 3HD1 ILE 8 6.465 5.838 -7.523 55 H ILE 9 H ILE 9 5.007 5.187 -3.122 56 HA ILE 9 HA ILE 9 3.782 7.233 -1.364 57 HB ILE 9 HB ILE 9 5.997 5.178 -0.823 58 1HG1 ILE 9 1HG1 ILE 9 4.222 4.189 0.708 59 2HG1 ILE 9 2HG1 ILE 9 3.020 5.011 -0.206 60 1HG2 ILE 9 1HG2 ILE 9 6.130 7.223 0.576 61 2HG2 ILE 9 2HG2 ILE 9 4.436 7.014 1.046 62 3HG2 ILE 9 3HG2 ILE 9 5.682 5.821 1.524 63 1HD1 ILE 9 1HD1 ILE 9 5.057 2.966 -1.207 64 2HD1 ILE 9 2HD1 ILE 9 3.421 2.575 -0.647 65 3HD1 ILE 9 3HD1 ILE 9 3.619 3.531 -2.117 66 H ASP 10 H ASP 10 4.499 9.105 -2.293 67 HA ASP 10 HA ASP 10 7.230 9.277 -3.246 68 1HB ASP 10 1HB ASP 10 4.658 10.563 -3.665 69 2HB ASP 10 2HB ASP 10 5.834 11.764 -3.422 70 H GLY 11 H GLY 11 7.968 8.806 -1.116 71 1HA GLY 11 1HA GLY 11 9.719 10.877 -0.260 72 2HA GLY 11 2HA GLY 11 8.384 10.816 0.886 73 H MET 12 H MET 12 7.664 8.439 1.116 74 HA MET 12 HA MET 12 8.045 6.681 2.576 75 1HB MET 12 1HB MET 12 8.402 5.886 0.238 76 2HB MET 12 2HB MET 12 10.121 6.031 0.443 77 1HG MET 12 1HG MET 12 8.722 4.474 2.485 78 2HG MET 12 2HG MET 12 8.309 3.907 0.900 79 1HE MET 12 1HE MET 12 10.673 4.205 -0.985 80 2HE MET 12 2HE MET 12 11.457 2.626 -0.805 81 3HE MET 12 3HE MET 12 9.691 2.734 -0.818 82 H HIS 13 H HIS 13 10.775 5.371 2.886 83 HA HIS 13 HA HIS 13 12.265 7.586 4.285 84 1HB HIS 13 1HB HIS 13 12.000 4.758 5.314 85 2HB HIS 13 2HB HIS 13 13.193 5.912 5.857 86 HD1 HIS 13 HD1 HIS 13 12.259 5.532 8.327 87 HD2 HIS 13 HD2 HIS 13 9.559 7.270 5.622 88 HE1 HIS 13 HE1 HIS 13 10.258 6.318 9.693 89 H CYS 14 H CYS 14 12.374 4.579 2.409 90 HA CYS 14 HA CYS 14 14.370 5.006 0.710 91 1HB CYS 14 1HB CYS 14 16.482 3.926 1.643 92 2HB CYS 14 2HB CYS 14 16.145 5.552 2.180 93 HG CYS 14 HG CYS 14 15.527 5.189 4.470 94 H LYS 15 H LYS 15 14.563 2.406 3.033 95 HA LYS 15 HA LYS 15 13.701 0.423 0.976 96 1HB LYS 15 1HB LYS 15 16.337 1.125 1.383 97 2HB LYS 15 2HB LYS 15 16.179 -0.154 2.575 98 1HG LYS 15 1HG LYS 15 16.983 -1.162 0.588 99 2HG LYS 15 2HG LYS 15 15.295 -1.662 0.712 100 1HD LYS 15 1HD LYS 15 14.645 -0.026 -1.012 101 2HD LYS 15 2HD LYS 15 16.272 0.679 -0.998 102 1HE LYS 15 1HE LYS 15 17.213 -1.488 -1.816 103 2HE LYS 15 2HE LYS 15 15.584 -2.176 -1.858 104 1HZ LYS 15 1HZ LYS 15 16.463 0.103 -3.526 105 2HZ LYS 15 2HZ LYS 15 14.949 -0.605 -3.506 106 3HZ LYS 15 3HZ LYS 15 16.225 -1.433 -4.007 107 H SER 16 H SER 16 14.915 0.463 4.458 108 HA SER 16 HA SER 16 13.310 -1.596 5.452 109 1HB SER 16 1HB SER 16 13.548 0.915 7.085 110 2HB SER 16 2HB SER 16 13.869 -0.768 7.533 111 HG SER 16 HG SER 16 15.847 0.311 7.383 112 H CYS 17 H CYS 17 12.132 1.682 4.559 113 HA CYS 17 HA CYS 17 9.548 1.351 5.846 114 1HB CYS 17 1HB CYS 17 10.644 3.336 3.876 115 2HB CYS 17 2HB CYS 17 8.997 2.905 3.696 116 HG CYS 17 HG CYS 17 8.018 3.789 5.750 117 H VAL 18 H VAL 18 10.753 0.133 2.788 118 HA VAL 18 HA VAL 18 8.339 -0.473 1.513 119 HB VAL 18 HB VAL 18 11.018 -1.909 1.455 120 1HG1 VAL 18 1HG1 VAL 18 10.206 -2.575 -0.870 121 2HG1 VAL 18 2HG1 VAL 18 9.529 -3.412 0.530 122 3HG1 VAL 18 3HG1 VAL 18 8.609 -2.108 -0.294 123 1HG2 VAL 18 1HG2 VAL 18 9.849 0.262 -0.356 124 2HG2 VAL 18 2HG2 VAL 18 11.175 0.498 0.802 125 3HG2 VAL 18 3HG2 VAL 18 11.411 -0.550 -0.595 126 H SER 19 H SER 19 10.186 -2.382 3.888 127 HA SER 19 HA SER 19 8.486 -4.740 3.872 128 1HB SER 19 1HB SER 19 10.922 -4.600 4.485 129 2HB SER 19 2HB SER 19 10.508 -3.600 5.882 130 HG SER 19 HG SER 19 9.649 -6.313 5.430 131 H ASN 20 H ASN 20 8.559 -1.779 5.977 132 HA ASN 20 HA ASN 20 6.509 -2.595 7.804 133 1HB ASN 20 1HB ASN 20 7.065 0.140 6.639 134 2HB ASN 20 2HB ASN 20 6.043 -0.139 7.978 135 1HD2 ASN 20 1HD2 ASN 20 8.779 1.156 7.357 136 2HD2 ASN 20 2HD2 ASN 20 9.789 0.632 8.685 137 H ILE 21 H ILE 21 6.410 -1.216 4.530 138 HA ILE 21 HA ILE 21 3.581 -0.582 4.617 139 HB ILE 21 HB ILE 21 5.020 -1.109 2.013 140 1HG1 ILE 21 1HG1 ILE 21 5.874 0.989 4.015 141 2HG1 ILE 21 2HG1 ILE 21 6.665 0.112 2.719 142 1HG2 ILE 21 1HG2 ILE 21 2.615 -0.656 2.010 143 2HG2 ILE 21 2HG2 ILE 21 2.886 0.859 2.891 144 3HG2 ILE 21 3HG2 ILE 21 3.488 0.646 1.220 145 1HD1 ILE 21 1HD1 ILE 21 6.683 2.396 2.069 146 2HD1 ILE 21 2HD1 ILE 21 5.744 1.424 0.936 147 3HD1 ILE 21 3HD1 ILE 21 4.904 2.455 2.111 148 H GLU 22 H GLU 22 5.404 -3.312 3.153 149 HA GLU 22 HA GLU 22 3.183 -4.915 2.483 150 1HB GLU 22 1HB GLU 22 6.063 -5.460 3.246 151 2HB GLU 22 2HB GLU 22 4.949 -6.796 3.006 152 1HG GLU 22 1HG GLU 22 4.298 -5.718 0.768 153 2HG GLU 22 2HG GLU 22 5.651 -4.611 1.047 154 H SER 23 H SER 23 5.045 -4.909 5.570 155 HA SER 23 HA SER 23 3.415 -6.839 6.813 156 1HB SER 23 1HB SER 23 4.840 -4.512 8.190 157 2HB SER 23 2HB SER 23 4.378 -6.059 8.923 158 HG SER 23 HG SER 23 6.361 -5.568 6.927 159 H THR 24 H THR 24 2.911 -3.315 6.789 160 HA THR 24 HA THR 24 0.673 -3.355 8.608 161 HB THR 24 HB THR 24 1.590 -1.145 6.644 162 HG1 THR 24 HG1 THR 24 3.105 -1.574 8.111 163 1HG2 THR 24 1HG2 THR 24 -0.777 -0.822 7.371 164 2HG2 THR 24 2HG2 THR 24 0.314 0.326 8.157 165 3HG2 THR 24 3HG2 THR 24 -0.289 -1.081 9.061 166 H LEU 25 H LEU 25 0.930 -3.213 5.055 167 HA LEU 25 HA LEU 25 -1.956 -3.281 4.690 168 1HB LEU 25 1HB LEU 25 0.457 -3.512 2.908 169 2HB LEU 25 2HB LEU 25 -1.163 -3.662 2.267 170 HG LEU 25 HG LEU 25 0.098 -1.365 2.140 171 1HD1 LEU 25 1HD1 LEU 25 -2.798 -1.806 2.879 172 2HD1 LEU 25 2HD1 LEU 25 -2.077 -1.725 1.274 173 3HD1 LEU 25 3HD1 LEU 25 -2.175 -0.264 2.277 174 1HD2 LEU 25 1HD2 LEU 25 -0.570 0.238 3.923 175 2HD2 LEU 25 2HD2 LEU 25 0.569 -0.952 4.528 176 3HD2 LEU 25 3HD2 LEU 25 -1.170 -1.075 4.908 177 H SER 26 H SER 26 0.424 -5.868 5.047 178 HA SER 26 HA SER 26 -1.246 -7.913 3.938 179 1HB SER 26 1HB SER 26 0.305 -9.402 4.959 180 2HB SER 26 2HB SER 26 1.222 -8.048 4.347 181 HG SER 26 HG SER 26 1.004 -7.260 6.714 182 H ALA 27 H ALA 27 -2.073 -6.061 6.591 183 HA ALA 27 HA ALA 27 -3.081 -8.393 8.198 184 1HB ALA 27 1HB ALA 27 -2.072 -5.651 9.094 185 2HB ALA 27 2HB ALA 27 -2.575 -6.987 10.155 186 3HB ALA 27 3HB ALA 27 -1.133 -7.158 9.134 187 H LEU 28 H LEU 28 -4.417 -6.286 6.152 188 HA LEU 28 HA LEU 28 -6.189 -4.908 7.957 189 1HB LEU 28 1HB LEU 28 -6.235 -4.992 4.915 190 2HB LEU 28 2HB LEU 28 -7.185 -3.920 5.910 191 HG LEU 28 HG LEU 28 -4.158 -3.928 6.223 192 1HD1 LEU 28 1HD1 LEU 28 -3.962 -2.149 4.640 193 2HD1 LEU 28 2HD1 LEU 28 -5.669 -2.216 4.220 194 3HD1 LEU 28 3HD1 LEU 28 -4.595 -3.580 3.804 195 1HD2 LEU 28 1HD2 LEU 28 -5.611 -2.751 7.886 196 2HD2 LEU 28 2HD2 LEU 28 -6.330 -1.817 6.552 197 3HD2 LEU 28 3HD2 LEU 28 -4.595 -1.637 6.958 198 H GLN 29 H GLN 29 -8.433 -4.940 8.016 199 HA GLN 29 HA GLN 29 -9.652 -7.495 8.305 200 1HB GLN 29 1HB GLN 29 -10.956 -4.741 8.285 201 2HB GLN 29 2HB GLN 29 -11.599 -6.212 9.025 202 1HG GLN 29 1HG GLN 29 -9.620 -6.258 10.577 203 2HG GLN 29 2HG GLN 29 -9.120 -4.686 9.930 204 1HE2 GLN 29 1HE2 GLN 29 -11.319 -3.073 9.855 205 2HE2 GLN 29 2HE2 GLN 29 -12.063 -3.075 11.458 206 H TYR 30 H TYR 30 -8.911 -6.828 5.524 207 HA TYR 30 HA TYR 30 -11.121 -7.921 4.068 208 1HB TYR 30 1HB TYR 30 -11.313 -5.857 2.518 209 2HB TYR 30 2HB TYR 30 -12.184 -5.901 4.030 210 HD1 TYR 30 HD1 TYR 30 -8.586 -4.845 3.229 211 HD2 TYR 30 HD2 TYR 30 -12.439 -3.787 4.880 212 HE1 TYR 30 HE1 TYR 30 -7.728 -2.647 3.851 213 HE2 TYR 30 HE2 TYR 30 -11.548 -1.549 5.508 214 HH TYR 30 HH TYR 30 -8.156 -0.598 4.802 215 H VAL 31 H VAL 31 -7.828 -7.778 4.360 216 HA VAL 31 HA VAL 31 -7.390 -7.721 1.416 217 HB VAL 31 HB VAL 31 -6.184 -5.941 2.510 218 1HG1 VAL 31 1HG1 VAL 31 -4.370 -7.934 3.757 219 2HG1 VAL 31 2HG1 VAL 31 -4.624 -6.164 4.017 220 3HG1 VAL 31 3HG1 VAL 31 -5.826 -7.314 4.584 221 1HG2 VAL 31 1HG2 VAL 31 -3.912 -6.364 1.575 222 2HG2 VAL 31 2HG2 VAL 31 -4.319 -8.050 1.291 223 3HG2 VAL 31 3HG2 VAL 31 -5.191 -6.748 0.430 224 H SER 32 H SER 32 -6.375 -9.423 0.365 225 HA SER 32 HA SER 32 -6.041 -11.892 2.048 226 1HB SER 32 1HB SER 32 -7.961 -11.772 0.380 227 2HB SER 32 2HB SER 32 -6.732 -11.832 -0.901 228 HG SER 32 HG SER 32 -6.032 -13.806 -0.042 229 H SER 33 H SER 33 -4.237 -9.684 0.077 230 HA SER 33 HA SER 33 -1.762 -11.092 0.326 231 1HB SER 33 1HB SER 33 -3.322 -11.466 -2.189 232 2HB SER 33 2HB SER 33 -1.588 -11.319 -2.320 233 HG SER 33 HG SER 33 -2.883 -13.110 -0.545 234 H ILE 34 H ILE 34 -0.135 -10.098 -1.248 235 HA ILE 34 HA ILE 34 -0.297 -7.403 -2.156 236 HB ILE 34 HB ILE 34 -0.608 -6.844 0.191 237 1HG1 ILE 34 1HG1 ILE 34 2.320 -6.248 -0.365 238 2HG1 ILE 34 2HG1 ILE 34 1.016 -5.495 -1.288 239 1HG2 ILE 34 1HG2 ILE 34 1.957 -8.380 0.822 240 2HG2 ILE 34 2HG2 ILE 34 0.981 -7.453 1.973 241 3HG2 ILE 34 3HG2 ILE 34 0.317 -8.908 1.250 242 1HD1 ILE 34 1HD1 ILE 34 1.264 -5.297 1.715 243 2HD1 ILE 34 2HD1 ILE 34 1.759 -4.055 0.541 244 3HD1 ILE 34 3HD1 ILE 34 0.054 -4.537 0.675 245 H VAL 35 H VAL 35 1.638 -6.712 -3.020 246 HA VAL 35 HA VAL 35 4.196 -8.053 -2.481 247 HB VAL 35 HB VAL 35 3.034 -7.783 -5.284 248 1HG1 VAL 35 1HG1 VAL 35 5.971 -8.192 -4.558 249 2HG1 VAL 35 2HG1 VAL 35 5.283 -8.483 -6.170 250 3HG1 VAL 35 3HG1 VAL 35 5.272 -6.857 -5.507 251 1HG2 VAL 35 1HG2 VAL 35 2.662 -9.984 -4.195 252 2HG2 VAL 35 2HG2 VAL 35 3.937 -10.205 -5.400 253 3HG2 VAL 35 3HG2 VAL 35 4.375 -10.010 -3.678 254 H VAL 36 H VAL 36 5.642 -6.517 -2.211 255 HA VAL 36 HA VAL 36 5.131 -3.830 -3.504 256 HB VAL 36 HB VAL 36 5.445 -4.078 -1.017 257 1HG1 VAL 36 1HG1 VAL 36 7.623 -4.273 -0.125 258 2HG1 VAL 36 2HG1 VAL 36 7.602 -5.535 -1.369 259 3HG1 VAL 36 3HG1 VAL 36 8.405 -4.029 -1.723 260 1HG2 VAL 36 1HG2 VAL 36 7.257 -2.026 -2.310 261 2HG2 VAL 36 2HG2 VAL 36 5.495 -1.928 -2.233 262 3HG2 VAL 36 3HG2 VAL 36 6.413 -1.940 -0.739 263 H SER 37 H SER 37 6.687 -2.655 -4.564 264 HA SER 37 HA SER 37 8.825 -4.219 -5.936 265 1HB SER 37 1HB SER 37 7.460 -1.568 -6.361 266 2HB SER 37 2HB SER 37 9.079 -1.842 -7.000 267 HG SER 37 HG SER 37 7.702 -2.423 -8.574 268 H LEU 38 H LEU 38 10.541 -4.440 -4.462 269 HA LEU 38 HA LEU 38 11.462 -2.587 -2.557 270 1HB LEU 38 1HB LEU 38 12.187 -5.167 -3.573 271 2HB LEU 38 2HB LEU 38 13.599 -4.174 -3.764 272 HG LEU 38 HG LEU 38 12.232 -5.129 -1.265 273 1HD1 LEU 38 1HD1 LEU 38 14.539 -5.729 -0.667 274 2HD1 LEU 38 2HD1 LEU 38 15.157 -4.868 -2.093 275 3HD1 LEU 38 3HD1 LEU 38 14.156 -6.324 -2.291 276 1HD2 LEU 38 1HD2 LEU 38 13.837 -3.587 0.062 277 2HD2 LEU 38 2HD2 LEU 38 12.329 -2.904 -0.518 278 3HD2 LEU 38 3HD2 LEU 38 13.814 -2.561 -1.392 279 H GLU 39 H GLU 39 12.310 -2.755 -5.953 280 HA GLU 39 HA GLU 39 14.251 -0.557 -5.709 281 1HB GLU 39 1HB GLU 39 13.398 -2.172 -8.133 282 2HB GLU 39 2HB GLU 39 14.705 -0.998 -8.039 283 1HG GLU 39 1HG GLU 39 14.553 -3.771 -6.843 284 2HG GLU 39 2HG GLU 39 15.821 -3.083 -7.859 285 H ASN 40 H ASN 40 11.117 -0.474 -5.725 286 HA ASN 40 HA ASN 40 10.973 2.149 -7.131 287 1HB ASN 40 1HB ASN 40 8.632 0.291 -6.722 288 2HB ASN 40 2HB ASN 40 8.679 1.822 -7.571 289 1HD2 ASN 40 1HD2 ASN 40 11.453 0.919 -8.760 290 2HD2 ASN 40 2HD2 ASN 40 10.918 -0.047 -10.095 291 H ARG 41 H ARG 41 8.735 3.158 -6.010 292 HA ARG 41 HA ARG 41 8.880 2.710 -3.076 293 1HB ARG 41 1HB ARG 41 8.505 4.943 -2.517 294 2HB ARG 41 2HB ARG 41 9.962 4.829 -3.468 295 1HG ARG 41 1HG ARG 41 7.301 5.946 -4.449 296 2HG ARG 41 2HG ARG 41 8.653 6.859 -3.814 297 1HD ARG 41 1HD ARG 41 10.055 6.000 -5.748 298 2HD ARG 41 2HD ARG 41 8.541 5.416 -6.456 299 HE ARG 41 HE ARG 41 7.797 7.930 -5.876 300 1HH1 ARG 41 1HH1 ARG 41 10.897 7.147 -7.393 301 2HH1 ARG 41 2HH1 ARG 41 10.949 8.687 -8.206 302 1HH2 ARG 41 1HH2 ARG 41 7.927 9.779 -6.816 303 2HH2 ARG 41 2HH2 ARG 41 9.245 10.200 -7.896 304 H SER 42 H SER 42 7.324 1.081 -4.600 305 HA SER 42 HA SER 42 4.564 2.034 -4.072 306 1HB SER 42 1HB SER 42 4.096 1.134 -6.521 307 2HB SER 42 2HB SER 42 4.549 2.794 -6.187 308 HG SER 42 HG SER 42 5.931 0.865 -7.578 309 H ALA 43 H ALA 43 2.921 0.459 -4.206 310 HA ALA 43 HA ALA 43 3.702 -2.409 -3.769 311 1HB ALA 43 1HB ALA 43 3.642 -1.085 -1.567 312 2HB ALA 43 2HB ALA 43 1.952 -0.664 -1.914 313 3HB ALA 43 3HB ALA 43 2.427 -2.358 -1.673 314 H ILE 44 H ILE 44 2.272 -3.870 -4.397 315 HA ILE 44 HA ILE 44 -0.356 -3.042 -5.565 316 HB ILE 44 HB ILE 44 1.418 -5.435 -6.195 317 1HG1 ILE 44 1HG1 ILE 44 0.535 -3.209 -8.077 318 2HG1 ILE 44 2HG1 ILE 44 2.043 -3.097 -7.167 319 1HG2 ILE 44 1HG2 ILE 44 -1.342 -4.645 -7.286 320 2HG2 ILE 44 2HG2 ILE 44 -0.338 -5.969 -7.912 321 3HG2 ILE 44 3HG2 ILE 44 -0.976 -6.060 -6.281 322 1HD1 ILE 44 1HD1 ILE 44 2.819 -5.221 -8.218 323 2HD1 ILE 44 2HD1 ILE 44 1.346 -5.236 -9.220 324 3HD1 ILE 44 3HD1 ILE 44 2.517 -3.918 -9.386 325 H VAL 45 H VAL 45 -1.983 -3.572 -4.320 326 HA VAL 45 HA VAL 45 -1.608 -5.467 -2.007 327 HB VAL 45 HB VAL 45 -3.353 -3.030 -2.309 328 1HG1 VAL 45 1HG1 VAL 45 -4.112 -4.659 -0.563 329 2HG1 VAL 45 2HG1 VAL 45 -2.489 -4.659 0.154 330 3HG1 VAL 45 3HG1 VAL 45 -3.495 -3.201 0.216 331 1HG2 VAL 45 1HG2 VAL 45 -0.666 -3.142 -0.881 332 2HG2 VAL 45 2HG2 VAL 45 -1.007 -2.268 -2.379 333 3HG2 VAL 45 3HG2 VAL 45 -1.796 -1.770 -0.898 334 H VAL 46 H VAL 46 -3.060 -7.208 -2.016 335 HA VAL 46 HA VAL 46 -5.232 -7.203 -4.069 336 HB VAL 46 HB VAL 46 -3.602 -9.447 -2.847 337 1HG1 VAL 46 1HG1 VAL 46 -4.650 -10.982 -4.424 338 2HG1 VAL 46 2HG1 VAL 46 -5.865 -10.285 -3.349 339 3HG1 VAL 46 3HG1 VAL 46 -5.713 -9.676 -5.016 340 1HG2 VAL 46 1HG2 VAL 46 -3.573 -8.507 -5.728 341 2HG2 VAL 46 2HG2 VAL 46 -2.324 -8.121 -4.520 342 3HG2 VAL 46 3HG2 VAL 46 -2.594 -9.795 -5.010 343 H TYR 47 H TYR 47 -7.201 -6.961 -3.161 344 HA TYR 47 HA TYR 47 -7.679 -7.940 -0.388 345 1HB TYR 47 1HB TYR 47 -8.831 -5.923 0.177 346 2HB TYR 47 2HB TYR 47 -7.250 -5.501 -0.435 347 HD1 TYR 47 HD1 TYR 47 -10.877 -5.418 -1.021 348 HD2 TYR 47 HD2 TYR 47 -7.029 -4.362 -2.638 349 HE1 TYR 47 HE1 TYR 47 -11.981 -4.043 -2.795 350 HE2 TYR 47 HE2 TYR 47 -8.115 -2.813 -4.253 351 HH TYR 47 HH TYR 47 -11.649 -2.923 -4.747 352 H ASN 48 H ASN 48 -10.006 -8.199 0.208 353 HA ASN 48 HA ASN 48 -11.199 -9.756 -2.015 354 1HB ASN 48 1HB ASN 48 -10.512 -10.847 0.110 355 2HB ASN 48 2HB ASN 48 -11.700 -9.876 0.989 356 1HD2 ASN 48 1HD2 ASN 48 -14.067 -10.125 0.166 357 2HD2 ASN 48 2HD2 ASN 48 -14.484 -11.740 -0.436 358 H ALA 49 H ALA 49 -12.492 -8.453 -3.211 359 HA ALA 49 HA ALA 49 -15.163 -8.018 -2.248 360 1HB ALA 49 1HB ALA 49 -14.083 -5.923 -1.369 361 2HB ALA 49 2HB ALA 49 -13.489 -5.592 -3.014 362 3HB ALA 49 3HB ALA 49 -15.232 -5.568 -2.672 363 H SER 50 H SER 50 -16.614 -7.657 -4.089 364 HA SER 50 HA SER 50 -15.490 -8.540 -6.644 365 1HB SER 50 1HB SER 50 -18.367 -7.819 -5.960 366 2HB SER 50 2HB SER 50 -17.794 -8.848 -7.282 367 HG SER 50 HG SER 50 -17.174 -10.400 -5.767 368 H SER 51 H SER 51 -14.656 -5.867 -5.739 369 HA SER 51 HA SER 51 -15.480 -4.243 -7.908 370 1HB SER 51 1HB SER 51 -17.557 -4.134 -6.542 371 2HB SER 51 2HB SER 51 -16.634 -3.364 -5.245 372 HG SER 51 HG SER 51 -17.804 -1.948 -6.775 373 H VAL 52 H VAL 52 -15.032 -1.766 -7.087 374 HA VAL 52 HA VAL 52 -12.160 -1.680 -6.271 375 HB VAL 52 HB VAL 52 -12.027 0.471 -7.483 376 1HG1 VAL 52 1HG1 VAL 52 -11.778 -0.555 -9.693 377 2HG1 VAL 52 2HG1 VAL 52 -11.192 -1.653 -8.432 378 3HG1 VAL 52 3HG1 VAL 52 -12.772 -1.941 -9.195 379 1HG2 VAL 52 1HG2 VAL 52 -14.727 -0.314 -8.688 380 2HG2 VAL 52 2HG2 VAL 52 -14.405 1.107 -7.669 381 3HG2 VAL 52 3HG2 VAL 52 -13.663 0.984 -9.263 382 H THR 53 H THR 53 -11.558 -0.477 -4.614 383 HA THR 53 HA THR 53 -12.642 2.032 -3.785 384 HB THR 53 HB THR 53 -13.381 -0.289 -1.990 385 HG1 THR 53 HG1 THR 53 -14.823 0.749 -3.600 386 1HG2 THR 53 1HG2 THR 53 -12.310 1.326 -0.475 387 2HG2 THR 53 2HG2 THR 53 -14.054 1.484 -0.333 388 3HG2 THR 53 3HG2 THR 53 -13.141 2.680 -1.273 389 HA PRO 54 HA PRO 54 -8.272 0.954 -2.929 390 1HB PRO 54 1HB PRO 54 -6.985 2.696 -4.413 391 2HB PRO 54 2HB PRO 54 -7.993 1.452 -5.182 392 1HG PRO 54 1HG PRO 54 -8.806 4.324 -4.595 393 2HG PRO 54 2HG PRO 54 -8.903 3.450 -6.161 394 1HD PRO 54 1HD PRO 54 -11.022 3.589 -4.404 395 2HD PRO 54 2HD PRO 54 -10.729 2.167 -5.447 396 H GLU 55 H GLU 55 -9.936 4.000 -2.125 397 HA GLU 55 HA GLU 55 -7.714 5.326 -0.984 398 1HB GLU 55 1HB GLU 55 -10.694 5.548 -0.607 399 2HB GLU 55 2HB GLU 55 -9.629 6.416 0.491 400 1HG GLU 55 1HG GLU 55 -9.526 6.688 -2.538 401 2HG GLU 55 2HG GLU 55 -10.385 7.784 -1.450 402 H SER 56 H SER 56 -9.774 2.763 0.586 403 HA SER 56 HA SER 56 -8.837 3.327 3.202 404 1HB SER 56 1HB SER 56 -9.492 0.538 2.463 405 2HB SER 56 2HB SER 56 -10.083 1.527 3.795 406 HG SER 56 HG SER 56 -11.710 1.062 2.183 407 H LEU 57 H LEU 57 -7.357 1.491 0.571 408 HA LEU 57 HA LEU 57 -5.364 0.206 2.354 409 1HB LEU 57 1HB LEU 57 -5.431 0.435 -0.658 410 2HB LEU 57 2HB LEU 57 -4.365 -0.586 0.292 411 HG LEU 57 HG LEU 57 -7.374 -0.895 -0.119 412 1HD1 LEU 57 1HD1 LEU 57 -4.912 -1.999 -1.341 413 2HD1 LEU 57 2HD1 LEU 57 -6.542 -1.878 -1.998 414 3HD1 LEU 57 3HD1 LEU 57 -6.105 -3.230 -0.909 415 1HD2 LEU 57 1HD2 LEU 57 -6.833 -1.624 2.162 416 2HD2 LEU 57 2HD2 LEU 57 -5.550 -2.695 1.547 417 3HD2 LEU 57 3HD2 LEU 57 -7.250 -3.004 1.127 418 H ARG 58 H ARG 58 -5.456 2.856 -0.103 419 HA ARG 58 HA ARG 58 -2.868 3.896 0.162 420 1HB ARG 58 1HB ARG 58 -4.617 4.706 -1.392 421 2HB ARG 58 2HB ARG 58 -5.580 5.247 -0.072 422 1HG ARG 58 1HG ARG 58 -3.512 6.707 0.565 423 2HG ARG 58 2HG ARG 58 -3.009 6.432 -1.112 424 1HD ARG 58 1HD ARG 58 -4.978 7.487 -1.955 425 2HD ARG 58 2HD ARG 58 -5.768 7.429 -0.362 426 HE ARG 58 HE ARG 58 -3.495 8.910 0.115 427 1HH1 ARG 58 1HH1 ARG 58 -6.343 9.351 -1.926 428 2HH1 ARG 58 2HH1 ARG 58 -6.106 11.088 -2.011 429 1HH2 ARG 58 1HH2 ARG 58 -3.311 10.904 0.168 430 2HH2 ARG 58 2HH2 ARG 58 -4.338 12.032 -0.738 431 H LYS 59 H LYS 59 -5.775 4.638 2.185 432 HA LYS 59 HA LYS 59 -4.523 6.205 4.136 433 1HB LYS 59 1HB LYS 59 -7.070 4.692 3.875 434 2HB LYS 59 2HB LYS 59 -6.541 4.966 5.509 435 1HG LYS 59 1HG LYS 59 -7.986 6.803 4.729 436 2HG LYS 59 2HG LYS 59 -6.363 7.364 5.164 437 1HD LYS 59 1HD LYS 59 -5.769 7.259 2.691 438 2HD LYS 59 2HD LYS 59 -7.444 6.920 2.362 439 1HE LYS 59 1HE LYS 59 -8.135 9.085 3.119 440 2HE LYS 59 2HE LYS 59 -6.560 9.360 3.917 441 1HZ LYS 59 1HZ LYS 59 -5.501 9.295 1.790 442 2HZ LYS 59 2HZ LYS 59 -6.648 10.493 1.795 443 3HZ LYS 59 3HZ LYS 59 -6.966 9.088 1.003 444 H ALA 60 H ALA 60 -4.773 2.583 4.137 445 HA ALA 60 HA ALA 60 -3.490 2.268 6.703 446 1HB ALA 60 1HB ALA 60 -4.794 0.505 5.536 447 2HB ALA 60 2HB ALA 60 -3.538 0.409 4.282 448 3HB ALA 60 3HB ALA 60 -3.151 -0.031 5.954 449 H ILE 61 H ILE 61 -2.176 2.778 3.424 450 HA ILE 61 HA ILE 61 0.570 2.470 4.281 451 HB ILE 61 HB ILE 61 -0.520 3.884 1.799 452 1HG1 ILE 61 1HG1 ILE 61 0.432 1.027 2.154 453 2HG1 ILE 61 2HG1 ILE 61 -1.188 1.548 1.779 454 1HG2 ILE 61 1HG2 ILE 61 1.760 3.492 0.882 455 2HG2 ILE 61 2HG2 ILE 61 1.730 4.601 2.207 456 3HG2 ILE 61 3HG2 ILE 61 2.285 2.945 2.490 457 1HD1 ILE 61 1HD1 ILE 61 -0.348 2.540 -0.354 458 2HD1 ILE 61 2HD1 ILE 61 1.154 1.616 -0.086 459 3HD1 ILE 61 3HD1 ILE 61 -0.389 0.764 -0.238 460 H GLU 62 H GLU 62 -1.422 5.422 3.630 461 HA GLU 62 HA GLU 62 0.491 7.328 4.400 462 1HB GLU 62 1HB GLU 62 -2.552 7.439 4.641 463 2HB GLU 62 2HB GLU 62 -1.427 8.799 4.870 464 1HG GLU 62 1HG GLU 62 -0.631 8.669 2.637 465 2HG GLU 62 2HG GLU 62 -1.601 7.218 2.315 466 H ALA 63 H ALA 63 -1.297 5.137 6.481 467 HA ALA 63 HA ALA 63 -0.843 6.766 8.873 468 1HB ALA 63 1HB ALA 63 -2.112 4.948 9.977 469 2HB ALA 63 2HB ALA 63 -2.960 5.509 8.523 470 3HB ALA 63 3HB ALA 63 -2.041 3.983 8.486 471 H VAL 64 H VAL 64 1.351 5.100 7.226 472 HA VAL 64 HA VAL 64 2.557 3.806 9.619 473 HB VAL 64 HB VAL 64 2.238 2.527 7.367 474 1HG1 VAL 64 1HG1 VAL 64 3.840 2.289 5.887 475 2HG1 VAL 64 2HG1 VAL 64 3.371 4.008 5.948 476 3HG1 VAL 64 3HG1 VAL 64 4.926 3.513 6.655 477 1HG2 VAL 64 1HG2 VAL 64 4.245 1.150 8.003 478 2HG2 VAL 64 2HG2 VAL 64 4.944 2.562 8.847 479 3HG2 VAL 64 3HG2 VAL 64 3.495 1.749 9.496 480 H SER 65 H SER 65 3.394 6.190 7.039 481 HA SER 65 HA SER 65 4.894 7.542 9.193 482 1HB SER 65 1HB SER 65 6.251 7.755 6.575 483 2HB SER 65 2HB SER 65 6.804 7.815 8.241 484 HG SER 65 HG SER 65 7.688 6.088 7.612 485 HA PRO 66 HA PRO 66 1.673 9.946 6.879 486 1HB PRO 66 1HB PRO 66 0.749 11.321 9.199 487 2HB PRO 66 2HB PRO 66 0.019 9.897 8.411 488 1HG PRO 66 1HG PRO 66 1.921 9.999 10.751 489 2HG PRO 66 2HG PRO 66 0.506 8.920 10.503 490 1HD PRO 66 1HD PRO 66 2.986 7.974 10.085 491 2HD PRO 66 2HD PRO 66 1.714 7.582 8.938 492 H GLY 67 H GLY 67 1.683 11.960 6.088 493 1HA GLY 67 1HA GLY 67 2.279 14.216 5.777 494 2HA GLY 67 2HA GLY 67 3.380 14.124 7.181 495 H LEU 68 H LEU 68 4.906 11.909 6.488 496 HA LEU 68 HA LEU 68 6.643 12.892 4.318 497 1HB LEU 68 1HB LEU 68 7.606 12.105 6.368 498 2HB LEU 68 2HB LEU 68 6.701 10.601 6.322 499 HG LEU 68 HG LEU 68 8.024 9.716 4.538 500 1HD1 LEU 68 1HD1 LEU 68 9.451 12.406 4.436 501 2HD1 LEU 68 2HD1 LEU 68 8.444 11.695 3.152 502 3HD1 LEU 68 3HD1 LEU 68 9.963 10.920 3.599 503 1HD2 LEU 68 1HD2 LEU 68 8.934 9.585 6.833 504 2HD2 LEU 68 2HD2 LEU 68 9.767 11.140 6.604 505 3HD2 LEU 68 3HD2 LEU 68 10.254 9.734 5.649 506 H TYR 69 H TYR 69 4.419 10.159 4.923 507 HA TYR 69 HA TYR 69 4.796 8.974 2.332 508 1HB TYR 69 1HB TYR 69 2.871 8.556 4.633 509 2HB TYR 69 2HB TYR 69 2.552 7.867 3.077 510 HD1 TYR 69 HD1 TYR 69 2.674 5.607 3.690 511 HD2 TYR 69 HD2 TYR 69 6.080 8.130 4.376 512 HE1 TYR 69 HE1 TYR 69 4.063 3.630 3.793 513 HE2 TYR 69 HE2 TYR 69 7.466 6.111 4.733 514 HH TYR 69 HH TYR 69 6.102 2.824 4.255 515 H ARG 70 H ARG 70 4.621 10.657 0.803 516 HA ARG 70 HA ARG 70 2.113 11.939 0.142 517 1HB ARG 70 1HB ARG 70 4.733 12.301 -0.514 518 2HB ARG 70 2HB ARG 70 4.258 11.362 -1.795 519 1HG ARG 70 1HG ARG 70 2.236 12.977 -2.117 520 2HG ARG 70 2HG ARG 70 3.187 14.106 -1.086 521 1HD ARG 70 1HD ARG 70 5.114 13.576 -2.672 522 2HD ARG 70 2HD ARG 70 3.876 12.629 -3.586 523 HE ARG 70 HE ARG 70 3.121 15.384 -3.299 524 1HH1 ARG 70 1HH1 ARG 70 5.307 13.280 -5.271 525 2HH1 ARG 70 2HH1 ARG 70 5.389 14.448 -6.519 526 1HH2 ARG 70 1HH2 ARG 70 3.282 16.783 -5.034 527 2HH2 ARG 70 2HH2 ARG 70 4.232 16.369 -6.434 528 H VAL 71 H VAL 71 0.679 9.950 0.319 529 HA VAL 71 HA VAL 71 1.333 7.800 -1.572 530 HB VAL 71 HB VAL 71 -1.015 7.628 0.243 531 1HG1 VAL 71 1HG1 VAL 71 0.691 5.484 -1.121 532 2HG1 VAL 71 2HG1 VAL 71 -0.722 5.211 -0.083 533 3HG1 VAL 71 3HG1 VAL 71 -0.920 5.965 -1.661 534 1HG2 VAL 71 1HG2 VAL 71 0.504 6.336 1.722 535 2HG2 VAL 71 2HG2 VAL 71 1.879 6.700 0.650 536 3HG2 VAL 71 3HG2 VAL 71 1.082 7.987 1.543 537 H SER 72 H SER 72 0.355 7.400 -3.482 538 HA SER 72 HA SER 72 -2.520 8.027 -3.879 539 1HB SER 72 1HB SER 72 -1.362 10.100 -4.678 540 2HB SER 72 2HB SER 72 -0.397 9.122 -5.792 541 HG SER 72 HG SER 72 -2.199 8.756 -7.034 542 H ILE 73 H ILE 73 -3.401 7.112 -5.651 543 HA ILE 73 HA ILE 73 -2.271 4.521 -6.561 544 HB ILE 73 HB ILE 73 -4.833 5.994 -7.332 545 1HG1 ILE 73 1HG1 ILE 73 -5.931 4.220 -5.903 546 2HG1 ILE 73 2HG1 ILE 73 -4.376 3.839 -5.231 547 1HG2 ILE 73 1HG2 ILE 73 -4.014 4.220 -8.933 548 2HG2 ILE 73 2HG2 ILE 73 -4.049 3.044 -7.602 549 3HG2 ILE 73 3HG2 ILE 73 -5.545 3.792 -8.153 550 1HD1 ILE 73 1HD1 ILE 73 -4.440 5.910 -3.962 551 2HD1 ILE 73 2HD1 ILE 73 -5.772 6.541 -4.975 552 3HD1 ILE 73 3HD1 ILE 73 -6.048 5.182 -3.867 553 H THR 74 H THR 74 -1.063 4.334 -8.299 554 HA THR 74 HA THR 74 -1.010 6.574 -10.252 555 HB THR 74 HB THR 74 1.128 6.371 -9.204 556 HG1 THR 74 HG1 THR 74 1.084 6.851 -11.392 557 1HG2 THR 74 1HG2 THR 74 1.291 3.500 -10.193 558 2HG2 THR 74 2HG2 THR 74 1.174 4.014 -8.489 559 3HG2 THR 74 3HG2 THR 74 2.593 4.448 -9.456 560 H SER 75 H SER 75 -2.007 6.161 -11.976 561 HA SER 75 HA SER 75 -1.917 3.529 -13.322 562 1HB SER 75 1HB SER 75 -4.012 3.651 -11.841 563 2HB SER 75 2HB SER 75 -4.586 4.928 -12.932 564 HG SER 75 HG SER 75 -5.338 2.959 -13.723 565 H GLU 76 H GLU 76 -3.312 3.828 -15.472 566 HA GLU 76 HA GLU 76 -2.146 5.943 -17.074 567 1HB GLU 76 1HB GLU 76 -2.568 3.545 -17.674 568 2HB GLU 76 2HB GLU 76 -4.290 3.919 -17.791 569 1HG GLU 76 1HG GLU 76 -3.627 5.709 -19.532 570 2HG GLU 76 2HG GLU 76 -1.993 5.043 -19.457 571 H VAL 77 H VAL 77 -3.177 7.396 -15.406 572 HA VAL 77 HA VAL 77 -5.914 8.354 -15.917 573 HB VAL 77 HB VAL 77 -5.327 10.284 -14.493 574 1HG1 VAL 77 1HG1 VAL 77 -4.479 7.626 -13.259 575 2HG1 VAL 77 2HG1 VAL 77 -5.075 9.059 -12.402 576 3HG1 VAL 77 3HG1 VAL 77 -6.156 8.168 -13.487 577 1HG2 VAL 77 1HG2 VAL 77 -2.566 9.018 -14.218 578 2HG2 VAL 77 2HG2 VAL 77 -2.936 10.530 -15.061 579 3HG2 VAL 77 3HG2 VAL 77 -3.190 10.413 -13.319
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