NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6705 | 1je9 | 5052 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LEU 1 1HT LEU 1 3.240 15.280 0.971 2 2H LEU 1 2HT LEU 1 4.764 14.491 0.906 3 3H LEU 1 3HT LEU 1 3.463 13.781 1.773 4 HA LEU 1 HA LEU 1 3.356 14.326 -1.108 5 1HB LEU 1 2HB LEU 1 5.190 12.687 0.017 6 2HB LEU 1 1HB LEU 1 3.833 11.582 -0.110 7 HG LEU 1 HG LEU 1 4.667 13.167 -2.508 8 1HD1 LEU 1 1HD1 LEU 1 5.970 10.873 -2.945 9 2HD1 LEU 1 2HD1 LEU 1 6.184 10.995 -1.199 10 3HD1 LEU 1 3HD1 LEU 1 6.739 12.300 -2.248 11 1HD2 LEU 1 1HD2 LEU 1 3.982 10.772 -3.423 12 2HD2 LEU 1 2HD2 LEU 1 2.785 12.016 -3.068 13 3HD2 LEU 1 3HD2 LEU 1 3.089 10.728 -1.902 14 H GLU 2 H GLU 2 1.512 13.553 -2.060 15 HA GLU 2 HA GLU 2 -0.626 12.780 -0.230 16 1HB GLU 2 2HB GLU 2 -0.466 14.320 -2.647 17 2HB GLU 2 1HB GLU 2 -1.609 13.004 -2.877 18 1HG GLU 2 2HG GLU 2 -3.123 13.914 -1.510 19 2HG GLU 2 1HG GLU 2 -1.909 14.413 -0.333 20 H CYS 3 H CYS 3 0.074 10.614 0.131 21 HA CYS 3 HA CYS 3 0.130 8.797 -2.131 22 1HB CYS 3 2HB CYS 3 0.669 8.504 0.817 23 2HB CYS 3 1HB CYS 3 0.558 7.107 -0.249 24 H HIS 4 H HIS 4 -0.956 6.532 -1.385 25 HA HIS 4 HA HIS 4 -3.787 7.189 -0.954 26 1HB HIS 4 2HB HIS 4 -2.402 5.014 -2.494 27 2HB HIS 4 1HB HIS 4 -4.073 4.808 -1.962 28 HD1 HIS 4 1HD HIS 4 -5.501 7.234 -2.643 29 HD2 HIS 4 2HD HIS 4 -2.391 5.875 -5.041 30 HE1 HIS 4 1HE HIS 4 -5.879 8.289 -4.894 31 HE2 HIS 4 2HE HIS 4 -4.048 7.365 -6.357 32 H ASN 5 H ASN 5 -5.081 5.794 0.347 33 HA ASN 5 HA ASN 5 -3.744 3.846 2.032 34 1HB ASN 5 2HB ASN 5 -4.545 4.923 4.129 35 2HB ASN 5 1HB ASN 5 -3.325 5.880 3.284 36 1HD2 ASN 5 1HD2 ASN 5 -4.051 7.683 2.020 37 2HD2 ASN 5 2HD2 ASN 5 -5.504 8.522 2.470 38 H GLN 6 H GLN 6 -5.571 3.266 0.160 39 HA GLN 6 HA GLN 6 -8.058 2.808 1.675 40 1HB GLN 6 2HB GLN 6 -9.165 2.619 -0.565 41 2HB GLN 6 1HB GLN 6 -8.551 4.222 -0.191 42 1HG GLN 6 2HG GLN 6 -7.392 4.222 -2.069 43 2HG GLN 6 1HG GLN 6 -6.494 2.807 -1.523 44 1HE2 GLN 6 1HE2 GLN 6 -6.397 2.215 -3.760 45 2HE2 GLN 6 2HE2 GLN 6 -7.747 1.418 -4.506 46 H GLN 7 H GLN 7 -8.200 0.778 2.349 47 HA GLN 7 HA GLN 7 -6.707 -1.340 1.103 48 1HB GLN 7 2HB GLN 7 -7.926 -2.730 2.864 49 2HB GLN 7 1HB GLN 7 -6.822 -1.496 3.446 50 1HG GLN 7 2HG GLN 7 -8.545 -0.125 4.174 51 2HG GLN 7 1HG GLN 7 -9.739 -0.915 3.144 52 1HE2 GLN 7 1HE2 GLN 7 -8.974 -0.479 6.218 53 2HE2 GLN 7 2HE2 GLN 7 -9.510 -1.980 6.909 54 H SER 8 H SER 8 -7.619 -3.271 0.232 55 HA SER 8 HA SER 8 -9.009 -4.443 -1.134 56 1HB SER 8 2HB SER 8 -11.314 -2.948 0.117 57 2HB SER 8 1HB SER 8 -11.305 -4.584 -0.553 58 HG SER 8 HG SER 8 -10.418 -5.329 1.238 59 H SER 9 H SER 9 -11.409 -3.770 -2.394 60 HA SER 9 HA SER 9 -10.449 -1.725 -4.252 61 1HB SER 9 2HB SER 9 -12.608 -2.727 -5.505 62 2HB SER 9 1HB SER 9 -11.015 -3.475 -5.605 63 HG SER 9 HG SER 9 -13.235 -4.230 -4.041 64 H GLN 10 H GLN 10 -11.645 -1.031 -1.667 65 HA GLN 10 HA GLN 10 -14.305 -0.099 -2.129 66 1HB GLN 10 2HB GLN 10 -12.291 0.147 0.041 67 2HB GLN 10 1HB GLN 10 -13.584 1.346 -0.008 68 1HG GLN 10 2HG GLN 10 -14.538 -1.378 -0.334 69 2HG GLN 10 1HG GLN 10 -13.687 -1.120 1.190 70 1HE2 GLN 10 1HE2 GLN 10 -15.262 -1.008 2.650 71 2HE2 GLN 10 2HE2 GLN 10 -16.611 0.083 2.587 72 H ALA 11 H ALA 11 -14.559 2.409 -1.381 73 HA ALA 11 HA ALA 11 -13.825 3.917 -3.627 74 1HB ALA 11 1HB ALA 11 -14.528 5.196 -1.014 75 2HB ALA 11 2HB ALA 11 -15.732 4.283 -1.924 76 3HB ALA 11 3HB ALA 11 -14.959 5.692 -2.651 77 HA PRO 12 HA PRO 12 -9.445 4.509 -2.660 78 1HB PRO 12 2HB PRO 12 -10.070 6.674 -4.642 79 2HB PRO 12 1HB PRO 12 -8.645 5.630 -4.536 80 1HG PRO 12 2HG PRO 12 -10.511 5.049 -6.295 81 2HG PRO 12 1HG PRO 12 -9.809 3.753 -5.297 82 1HD PRO 12 2HD PRO 12 -12.472 5.094 -5.057 83 2HD PRO 12 1HD PRO 12 -12.031 3.394 -4.779 84 H THR 13 H THR 13 -8.107 6.415 -2.013 85 HA THR 13 HA THR 13 -9.458 8.783 -1.100 86 HB THR 13 HB THR 13 -10.059 7.280 0.713 87 HG1 THR 13 1HG THR 13 -9.217 8.491 2.385 88 1HG2 THR 13 1HG2 THR 13 -7.698 6.778 2.076 89 2HG2 THR 13 2HG2 THR 13 -7.367 6.308 0.409 90 3HG2 THR 13 3HG2 THR 13 -8.734 5.601 1.270 91 H THR 14 H THR 14 -7.931 10.292 -0.004 92 HA THR 14 HA THR 14 -5.119 9.741 -0.626 93 HB THR 14 HB THR 14 -4.839 11.928 -1.655 94 HG1 THR 14 1HG THR 14 -6.558 13.294 -1.953 95 1HG2 THR 14 1HG2 THR 14 -7.024 10.257 -2.841 96 2HG2 THR 14 2HG2 THR 14 -5.323 10.339 -3.300 97 3HG2 THR 14 3HG2 THR 14 -6.395 11.698 -3.640 98 H LYS 15 H LYS 15 -3.609 10.895 0.612 99 HA LYS 15 HA LYS 15 -4.456 12.806 2.582 100 1HB LYS 15 2HB LYS 15 -4.643 10.118 3.302 101 2HB LYS 15 1HB LYS 15 -3.131 10.655 4.018 102 1HG LYS 15 2HG LYS 15 -4.961 12.683 4.579 103 2HG LYS 15 1HG LYS 15 -5.840 11.176 4.839 104 1HD LYS 15 2HD LYS 15 -4.881 11.200 6.868 105 2HD LYS 15 1HD LYS 15 -3.440 10.635 6.022 106 1HE LYS 15 2HE LYS 15 -2.363 12.473 6.646 107 2HE LYS 15 1HE LYS 15 -3.532 13.453 5.762 108 1HZ LYS 15 1HZ LYS 15 -3.150 13.675 8.365 109 2HZ LYS 15 2HZ LYS 15 -4.353 12.486 8.384 110 3HZ LYS 15 3HZ LYS 15 -4.649 13.975 7.637 111 H THR 16 H THR 16 -2.611 13.555 3.925 112 HA THR 16 HA THR 16 -0.094 13.288 2.421 113 HB THR 16 HB THR 16 -1.060 15.547 2.390 114 HG1 THR 16 1HG THR 16 0.972 16.021 2.348 115 1HG2 THR 16 1HG2 THR 16 -1.898 15.138 4.920 116 2HG2 THR 16 2HG2 THR 16 -1.735 16.725 4.167 117 3HG2 THR 16 3HG2 THR 16 -0.448 16.102 5.201 118 H CYS 17 H CYS 17 1.825 12.931 3.491 119 HA CYS 17 HA CYS 17 1.558 12.081 6.295 120 1HB CYS 17 2HB CYS 17 3.280 11.151 4.024 121 2HB CYS 17 1HB CYS 17 3.838 10.925 5.683 122 H SER 18 H SER 18 3.138 12.665 7.815 123 HA SER 18 HA SER 18 4.784 14.979 7.028 124 1HB SER 18 2HB SER 18 4.542 15.239 9.734 125 2HB SER 18 1HB SER 18 3.495 16.039 8.561 126 HG SER 18 HG SER 18 2.301 14.909 10.154 127 H GLY 19 H GLY 19 6.470 13.443 6.475 128 1HA GLY 19 2HA GLY 19 8.597 13.282 8.076 129 2HA GLY 19 1HA GLY 19 7.645 11.920 8.662 130 H GLU 20 H GLU 20 6.966 10.322 6.982 131 HA GLU 20 HA GLU 20 9.193 9.309 5.631 132 1HB GLU 20 2HB GLU 20 6.288 8.689 5.695 133 2HB GLU 20 1HB GLU 20 7.211 8.047 4.336 134 1HG GLU 20 2HG GLU 20 7.329 6.332 5.862 135 2HG GLU 20 1HG GLU 20 8.835 7.198 6.165 136 H THR 21 H THR 21 9.792 9.256 3.472 137 HA THR 21 HA THR 21 8.654 11.416 1.837 138 HB THR 21 HB THR 21 11.322 10.013 1.588 139 HG1 THR 21 1HG THR 21 12.118 12.019 2.368 140 1HG2 THR 21 1HG2 THR 21 9.939 11.711 -0.243 141 2HG2 THR 21 2HG2 THR 21 11.523 10.951 -0.399 142 3HG2 THR 21 3HG2 THR 21 11.376 12.535 0.364 143 H ASN 22 H ASN 22 9.343 7.993 1.901 144 HA ASN 22 HA ASN 22 8.099 7.729 -0.756 145 1HB ASN 22 2HB ASN 22 9.300 5.300 -0.334 146 2HB ASN 22 1HB ASN 22 9.999 6.626 -1.262 147 1HD2 ASN 22 1HD2 ASN 22 9.780 5.322 2.007 148 2HD2 ASN 22 2HD2 ASN 22 11.376 5.798 2.495 149 H CYS 23 H CYS 23 6.536 6.138 -1.076 150 HA CYS 23 HA CYS 23 5.315 5.103 1.382 151 1HB CYS 23 2HB CYS 23 4.164 6.046 -1.235 152 2HB CYS 23 1HB CYS 23 3.240 5.028 -0.138 153 H TYR 24 H TYR 24 3.576 3.257 0.243 154 HA TYR 24 HA TYR 24 5.042 1.527 -1.527 155 1HB TYR 24 2HB TYR 24 5.174 -0.379 0.014 156 2HB TYR 24 1HB TYR 24 6.134 0.985 0.588 157 HD1 TYR 24 1HD TYR 24 5.973 1.542 2.819 158 HD2 TYR 24 2HD TYR 24 2.683 -0.424 0.973 159 HE1 TYR 24 1HE TYR 24 4.820 1.445 4.989 160 HE2 TYR 24 2HE TYR 24 1.521 -0.521 3.135 161 HH TYR 24 HH TYR 24 2.058 -0.469 5.517 162 H LYS 25 H LYS 25 3.876 -0.733 -1.492 163 HA LYS 25 HA LYS 25 1.043 -0.623 -1.010 164 1HB LYS 25 2HB LYS 25 1.569 0.541 -3.296 165 2HB LYS 25 1HB LYS 25 1.819 -1.109 -3.867 166 1HG LYS 25 2HG LYS 25 -0.521 -1.516 -2.772 167 2HG LYS 25 1HG LYS 25 -0.683 0.229 -2.976 168 1HD LYS 25 2HD LYS 25 -0.907 0.062 -5.205 169 2HD LYS 25 1HD LYS 25 0.363 -1.155 -5.334 170 1HE LYS 25 2HE LYS 25 -1.112 -2.912 -4.880 171 2HE LYS 25 1HE LYS 25 -2.331 -1.833 -4.205 172 1HZ LYS 25 1HZ LYS 25 -1.827 -1.103 -6.876 173 2HZ LYS 25 2HZ LYS 25 -3.265 -1.673 -6.191 174 3HZ LYS 25 3HZ LYS 25 -2.137 -2.765 -6.818 175 H LYS 26 H LYS 26 0.633 -2.566 -0.209 176 HA LYS 26 HA LYS 26 2.138 -4.861 -1.279 177 1HB LYS 26 2HB LYS 26 1.170 -5.755 1.110 178 2HB LYS 26 1HB LYS 26 2.773 -5.100 0.859 179 1HG LYS 26 2HG LYS 26 2.145 -2.979 1.700 180 2HG LYS 26 1HG LYS 26 0.434 -3.408 1.680 181 1HD LYS 26 2HD LYS 26 0.803 -5.066 3.414 182 2HD LYS 26 1HD LYS 26 2.536 -4.735 3.393 183 1HE LYS 26 2HE LYS 26 1.800 -2.294 3.908 184 2HE LYS 26 1HE LYS 26 0.294 -3.048 4.428 185 1HZ LYS 26 1HZ LYS 26 3.008 -3.628 5.486 186 2HZ LYS 26 2HZ LYS 26 1.598 -4.440 5.949 187 3HZ LYS 26 3HZ LYS 26 1.775 -2.792 6.289 188 H TRP 27 H TRP 27 1.062 -6.871 -1.470 189 HA TRP 27 HA TRP 27 -1.770 -7.036 -1.081 190 1HB TRP 27 2HB TRP 27 -2.311 -7.535 -3.459 191 2HB TRP 27 1HB TRP 27 -1.868 -5.873 -3.179 192 HD1 TRP 27 HD TRP 27 -0.885 -8.900 -5.035 193 HE1 TRP 27 1HE TRP 27 1.035 -8.354 -6.642 194 HE3 TRP 27 3HE TRP 27 0.246 -4.223 -3.366 195 HZ2 TRP 27 2HZ TRP 27 2.809 -6.216 -7.150 196 HZ3 TRP 27 3HZ TRP 27 2.063 -2.986 -4.468 197 HH2 TRP 27 HH TRP 27 3.319 -3.962 -6.318 198 H TRP 28 H TRP 28 -2.643 -9.128 -1.846 199 HA TRP 28 HA TRP 28 -0.771 -11.245 -2.401 200 1HB TRP 28 2HB TRP 28 -1.372 -12.521 -0.312 201 2HB TRP 28 1HB TRP 28 -0.375 -11.096 -0.035 202 HD1 TRP 28 HD TRP 28 -3.835 -12.469 0.602 203 HE1 TRP 28 1HE TRP 28 -5.009 -10.943 2.272 204 HE3 TRP 28 3HE TRP 28 -0.443 -8.645 0.790 205 HZ2 TRP 28 2HZ TRP 28 -4.599 -8.462 3.539 206 HZ3 TRP 28 3HZ TRP 28 -0.915 -6.730 2.263 207 HH2 TRP 28 HH TRP 28 -2.953 -6.643 3.608 208 H SER 29 H SER 29 -2.021 -13.445 -2.079 209 HA SER 29 HA SER 29 -4.805 -13.082 -2.967 210 1HB SER 29 2HB SER 29 -2.590 -14.621 -4.257 211 2HB SER 29 1HB SER 29 -4.232 -15.271 -4.350 212 HG SER 29 HG SER 29 -4.027 -13.960 -6.093 213 H ASP 30 H ASP 30 -5.632 -13.626 -0.951 214 HA ASP 30 HA ASP 30 -4.877 -16.174 0.239 215 1HB ASP 30 2HB ASP 30 -6.495 -15.460 2.045 216 2HB ASP 30 1HB ASP 30 -5.108 -14.392 1.811 217 H HIS 31 H HIS 31 -6.956 -17.305 1.284 218 HA HIS 31 HA HIS 31 -8.291 -18.575 -0.810 219 1HB HIS 31 2HB HIS 31 -9.873 -19.352 1.068 220 2HB HIS 31 1HB HIS 31 -8.171 -19.781 1.200 221 HD1 HIS 31 1HD HIS 31 -10.446 -16.989 2.446 222 HD2 HIS 31 2HD HIS 31 -7.158 -19.230 3.640 223 HE1 HIS 31 1HE HIS 31 -9.943 -16.245 4.795 224 HE2 HIS 31 2HE HIS 31 -8.008 -17.682 5.528 225 H ARG 32 H ARG 32 -9.142 -15.748 1.060 226 HA ARG 32 HA ARG 32 -11.865 -15.632 0.206 227 1HB ARG 32 2HB ARG 32 -10.004 -13.856 1.697 228 2HB ARG 32 1HB ARG 32 -11.409 -13.103 0.944 229 1HG ARG 32 2HG ARG 32 -12.675 -15.083 2.141 230 2HG ARG 32 1HG ARG 32 -11.262 -15.034 3.196 231 1HD ARG 32 2HD ARG 32 -12.999 -12.661 2.532 232 2HD ARG 32 1HD ARG 32 -13.139 -13.629 3.999 233 HE ARG 32 HE ARG 32 -10.504 -12.566 3.562 234 1HH1 ARG 32 1HH1 ARG 32 -13.660 -11.927 4.907 235 2HH1 ARG 32 2HH1 ARG 32 -13.080 -10.742 6.030 236 1HH2 ARG 32 1HH2 ARG 32 -9.738 -11.009 5.036 237 2HH2 ARG 32 2HH2 ARG 32 -10.853 -10.220 6.102 238 H GLY 33 H GLY 33 -8.824 -14.486 -1.055 239 1HA GLY 33 2HA GLY 33 -9.315 -14.246 -3.641 240 2HA GLY 33 1HA GLY 33 -10.154 -12.813 -3.048 241 H THR 34 H THR 34 -8.964 -11.096 -3.546 242 HA THR 34 HA THR 34 -6.088 -11.179 -2.909 243 HB THR 34 HB THR 34 -7.251 -9.480 -5.106 244 HG1 THR 34 1HG THR 34 -7.697 -11.572 -5.718 245 1HG2 THR 34 1HG2 THR 34 -4.810 -9.335 -4.040 246 2HG2 THR 34 2HG2 THR 34 -5.143 -9.019 -5.743 247 3HG2 THR 34 3HG2 THR 34 -4.527 -10.594 -5.243 248 H ILE 35 H ILE 35 -5.297 -9.546 -1.699 249 HA ILE 35 HA ILE 35 -7.066 -7.248 -1.169 250 HB ILE 35 HB ILE 35 -5.331 -8.547 0.926 251 1HG1 ILE 35 2HG1 ILE 35 -8.316 -8.824 0.507 252 2HG1 ILE 35 1HG1 ILE 35 -7.124 -10.089 0.230 253 1HG2 ILE 35 1HG2 ILE 35 -7.052 -7.198 2.358 254 2HG2 ILE 35 2HG2 ILE 35 -7.250 -6.265 0.875 255 3HG2 ILE 35 3HG2 ILE 35 -5.664 -6.386 1.637 256 1HD1 ILE 35 1HD1 ILE 35 -6.519 -9.700 2.720 257 2HD1 ILE 35 2HD1 ILE 35 -7.955 -10.634 2.301 258 3HD1 ILE 35 3HD1 ILE 35 -8.112 -8.950 2.800 259 H ILE 36 H ILE 36 -6.009 -5.278 -0.603 260 HA ILE 36 HA ILE 36 -3.108 -5.196 -0.989 261 HB ILE 36 HB ILE 36 -3.203 -3.407 -2.594 262 1HG1 ILE 36 2HG1 ILE 36 -6.211 -3.629 -2.327 263 2HG1 ILE 36 1HG1 ILE 36 -5.212 -2.259 -1.852 264 1HG2 ILE 36 1HG2 ILE 36 -3.473 -4.772 -4.349 265 2HG2 ILE 36 2HG2 ILE 36 -5.149 -5.131 -3.936 266 3HG2 ILE 36 3HG2 ILE 36 -3.839 -6.002 -3.142 267 1HD1 ILE 36 1HD1 ILE 36 -4.550 -2.126 -4.315 268 2HD1 ILE 36 2HD1 ILE 36 -6.178 -1.614 -3.866 269 3HD1 ILE 36 3HD1 ILE 36 -5.921 -3.196 -4.604 270 H GLU 37 H GLU 37 -2.111 -3.826 0.399 271 HA GLU 37 HA GLU 37 -3.759 -1.763 1.701 272 1HB GLU 37 2HB GLU 37 -1.823 -2.278 3.561 273 2HB GLU 37 1HB GLU 37 -3.458 -2.935 3.599 274 1HG GLU 37 2HG GLU 37 -2.733 -4.979 2.624 275 2HG GLU 37 1HG GLU 37 -1.133 -4.322 2.290 276 H ARG 38 H ARG 38 -2.440 0.026 2.648 277 HA ARG 38 HA ARG 38 0.054 0.480 1.161 278 1HB ARG 38 2HB ARG 38 -2.197 2.477 1.455 279 2HB ARG 38 1HB ARG 38 -0.630 2.810 0.731 280 1HG ARG 38 2HG ARG 38 -1.382 2.135 -1.231 281 2HG ARG 38 1HG ARG 38 -1.717 0.535 -0.564 282 1HD ARG 38 2HD ARG 38 -3.932 1.086 -0.054 283 2HD ARG 38 1HD ARG 38 -3.620 2.818 -0.164 284 HE ARG 38 HE ARG 38 -4.076 2.698 -2.393 285 1HH1 ARG 38 1HH1 ARG 38 -3.261 -0.504 -1.269 286 2HH1 ARG 38 2HH1 ARG 38 -3.614 -1.262 -2.785 287 1HH2 ARG 38 1HH2 ARG 38 -4.542 1.703 -4.388 288 2HH2 ARG 38 2HH2 ARG 38 -4.342 -0.009 -4.556 289 H GLY 39 H GLY 39 0.909 2.806 2.012 290 1HA GLY 39 2HA GLY 39 0.542 3.742 4.543 291 2HA GLY 39 1HA GLY 39 1.551 2.323 4.773 292 H CYS 40 H CYS 40 2.316 4.984 5.410 293 HA CYS 40 HA CYS 40 4.139 5.819 3.308 294 1HB CYS 40 2HB CYS 40 3.195 6.978 5.895 295 2HB CYS 40 1HB CYS 40 4.734 7.534 5.233 296 H GLY 41 H GLY 41 5.929 4.638 3.119 297 1HA GLY 41 2HA GLY 41 8.127 4.721 4.635 298 2HA GLY 41 1HA GLY 41 7.204 3.460 5.451 299 H CYS 42 H CYS 42 8.887 1.962 4.924 300 HA CYS 42 HA CYS 42 8.413 0.637 2.424 301 1HB CYS 42 2HB CYS 42 10.064 2.411 1.799 302 2HB CYS 42 1HB CYS 42 11.206 1.680 2.930 303 HA PRO 43 HA PRO 43 9.900 -1.999 5.982 304 1HB PRO 43 2HB PRO 43 7.614 -3.267 6.573 305 2HB PRO 43 1HB PRO 43 7.965 -1.650 7.208 306 1HG PRO 43 2HG PRO 43 6.226 -2.449 4.903 307 2HG PRO 43 1HG PRO 43 5.929 -1.236 6.165 308 1HD PRO 43 2HD PRO 43 6.838 -0.648 3.636 309 2HD PRO 43 1HD PRO 43 7.124 0.373 5.062 310 H LYS 44 H LYS 44 9.102 -4.538 6.187 311 HA LYS 44 HA LYS 44 9.140 -5.648 3.463 312 1HB LYS 44 2HB LYS 44 10.938 -6.333 5.778 313 2HB LYS 44 1HB LYS 44 10.662 -7.463 4.460 314 1HG LYS 44 2HG LYS 44 11.593 -5.926 2.871 315 2HG LYS 44 1HG LYS 44 11.720 -4.667 4.102 316 1HD LYS 44 2HD LYS 44 13.102 -6.705 5.264 317 2HD LYS 44 1HD LYS 44 13.465 -6.965 3.557 318 1HE LYS 44 2HE LYS 44 13.939 -4.474 5.183 319 2HE LYS 44 1HE LYS 44 15.150 -5.530 4.458 320 1HZ LYS 44 1HZ LYS 44 15.003 -3.715 3.026 321 2HZ LYS 44 2HZ LYS 44 13.315 -3.647 3.109 322 3HZ LYS 44 3HZ LYS 44 14.068 -4.902 2.261 323 H VAL 45 H VAL 45 8.945 -8.238 3.804 324 HA VAL 45 HA VAL 45 7.097 -8.944 5.908 325 HB VAL 45 HB VAL 45 5.380 -9.783 4.232 326 1HG1 VAL 45 1HG1 VAL 45 5.091 -7.809 5.718 327 2HG1 VAL 45 2HG1 VAL 45 4.190 -7.701 4.205 328 3HG1 VAL 45 3HG1 VAL 45 5.687 -6.789 4.407 329 1HG2 VAL 45 1HG2 VAL 45 7.199 -9.097 2.355 330 2HG2 VAL 45 2HG2 VAL 45 6.172 -7.664 2.348 331 3HG2 VAL 45 3HG2 VAL 45 5.470 -9.253 2.043 332 H LYS 46 H LYS 46 6.494 -11.248 5.817 333 HA LYS 46 HA LYS 46 8.724 -12.829 5.054 334 1HB LYS 46 2HB LYS 46 6.167 -13.358 6.522 335 2HB LYS 46 1HB LYS 46 7.187 -14.692 6.004 336 1HG LYS 46 2HG LYS 46 8.300 -12.429 7.619 337 2HG LYS 46 1HG LYS 46 7.470 -13.786 8.383 338 1HD LYS 46 2HD LYS 46 9.704 -14.239 6.434 339 2HD LYS 46 1HD LYS 46 10.035 -13.892 8.132 340 1HE LYS 46 2HE LYS 46 9.325 -15.918 8.818 341 2HE LYS 46 1HE LYS 46 8.005 -15.964 7.650 342 1HZ LYS 46 1HZ LYS 46 9.334 -17.569 6.790 343 2HZ LYS 46 2HZ LYS 46 10.765 -16.884 7.376 344 3HZ LYS 46 3HZ LYS 46 10.023 -16.241 5.999 345 HA PRO 47 HA PRO 47 7.769 -14.320 1.034 346 1HB PRO 47 2HB PRO 47 7.798 -17.044 2.177 347 2HB PRO 47 1HB PRO 47 8.752 -16.360 0.870 348 1HG PRO 47 2HG PRO 47 9.601 -16.801 3.474 349 2HG PRO 47 1HG PRO 47 10.436 -15.857 2.238 350 1HD PRO 47 2HD PRO 47 9.245 -14.912 4.630 351 2HD PRO 47 1HD PRO 47 9.964 -13.956 3.321 352 H GLY 48 H GLY 48 5.826 -14.298 0.119 353 1HA GLY 48 2HA GLY 48 3.817 -15.834 -0.170 354 2HA GLY 48 1HA GLY 48 3.578 -15.564 1.556 355 H VAL 49 H VAL 49 4.435 -12.760 1.367 356 HA VAL 49 HA VAL 49 2.007 -11.665 0.105 357 HB VAL 49 HB VAL 49 3.557 -10.415 2.373 358 1HG1 VAL 49 1HG1 VAL 49 2.102 -8.716 2.292 359 2HG1 VAL 49 2HG1 VAL 49 0.726 -9.786 2.027 360 3HG1 VAL 49 3HG1 VAL 49 1.736 -9.296 0.667 361 1HG2 VAL 49 1HG2 VAL 49 1.559 -11.179 3.753 362 2HG2 VAL 49 2HG2 VAL 49 2.732 -12.416 3.300 363 3HG2 VAL 49 3HG2 VAL 49 1.204 -12.287 2.426 364 H ASN 50 H ASN 50 2.206 -10.055 -1.365 365 HA ASN 50 HA ASN 50 4.909 -9.329 -2.176 366 1HB ASN 50 2HB ASN 50 2.485 -8.325 -3.607 367 2HB ASN 50 1HB ASN 50 4.054 -8.800 -4.257 368 1HD2 ASN 50 1HD2 ASN 50 0.899 -9.833 -3.345 369 2HD2 ASN 50 2HD2 ASN 50 1.029 -11.464 -3.927 370 H LEU 51 H LEU 51 5.618 -7.203 -2.432 371 HA LEU 51 HA LEU 51 4.024 -4.974 -1.582 372 1HB LEU 51 2HB LEU 51 4.604 -5.786 0.592 373 2HB LEU 51 1HB LEU 51 6.279 -6.011 0.127 374 HG LEU 51 HG LEU 51 6.276 -3.436 -0.228 375 1HD1 LEU 51 1HD1 LEU 51 3.707 -3.488 0.158 376 2HD1 LEU 51 2HD1 LEU 51 4.669 -2.169 0.828 377 3HD1 LEU 51 3HD1 LEU 51 4.151 -3.499 1.866 378 1HD2 LEU 51 1HD2 LEU 51 6.052 -4.092 2.646 379 2HD2 LEU 51 2HD2 LEU 51 7.340 -3.271 1.764 380 3HD2 LEU 51 3HD2 LEU 51 7.206 -5.029 1.698 381 H ASN 52 H ASN 52 4.983 -2.966 -2.113 382 HA ASN 52 HA ASN 52 7.684 -2.915 -3.136 383 1HB ASN 52 2HB ASN 52 7.263 -2.530 -5.389 384 2HB ASN 52 1HB ASN 52 6.079 -3.770 -4.993 385 1HD2 ASN 52 1HD2 ASN 52 4.043 -2.485 -3.881 386 2HD2 ASN 52 2HD2 ASN 52 3.381 -1.305 -4.953 387 H CYS 53 H CYS 53 8.584 -1.043 -2.622 388 HA CYS 53 HA CYS 53 6.953 1.153 -1.689 389 1HB CYS 53 2HB CYS 53 9.959 1.087 -1.906 390 2HB CYS 53 1HB CYS 53 8.963 2.055 -0.827 391 H CYS 54 H CYS 54 7.350 3.360 -2.412 392 HA CYS 54 HA CYS 54 8.633 3.837 -4.935 393 1HB CYS 54 2HB CYS 54 6.387 4.762 -5.891 394 2HB CYS 54 1HB CYS 54 6.750 3.042 -6.034 395 H ARG 55 H ARG 55 8.637 5.983 -5.571 396 HA ARG 55 HA ARG 55 8.108 7.831 -3.364 397 1HB ARG 55 2HB ARG 55 10.154 8.714 -5.185 398 2HB ARG 55 1HB ARG 55 10.235 8.442 -3.453 399 1HG ARG 55 2HG ARG 55 10.469 5.954 -4.088 400 2HG ARG 55 1HG ARG 55 10.902 6.583 -5.683 401 1HD ARG 55 2HD ARG 55 12.877 7.430 -4.960 402 2HD ARG 55 1HD ARG 55 12.249 7.816 -3.357 403 HE ARG 55 HE ARG 55 12.319 5.123 -3.331 404 1HH1 ARG 55 1HH1 ARG 55 14.699 7.534 -4.179 405 2HH1 ARG 55 2HH1 ARG 55 16.043 6.557 -3.693 406 1HH2 ARG 55 1HH2 ARG 55 14.088 3.839 -2.692 407 2HH2 ARG 55 2HH2 ARG 55 15.697 4.460 -2.848 408 H THR 56 H THR 56 6.144 7.344 -5.311 409 HA THR 56 HA THR 56 6.140 9.927 -6.723 410 HB THR 56 HB THR 56 4.607 7.721 -7.962 411 HG1 THR 56 1HG THR 56 7.428 7.748 -7.847 412 1HG2 THR 56 1HG2 THR 56 4.572 9.274 -9.540 413 2HG2 THR 56 2HG2 THR 56 6.259 8.863 -9.848 414 3HG2 THR 56 3HG2 THR 56 5.859 10.200 -8.769 415 H ASP 57 H ASP 57 4.096 10.921 -6.986 416 HA ASP 57 HA ASP 57 2.358 10.647 -4.788 417 1HB ASP 57 2HB ASP 57 2.423 12.257 -7.277 418 2HB ASP 57 1HB ASP 57 0.838 12.048 -6.528 419 H ARG 58 H ARG 58 0.696 9.324 -4.438 420 HA ARG 58 HA ARG 58 -0.892 7.726 -4.745 421 1HB ARG 58 2HB ARG 58 -1.070 9.097 -7.432 422 2HB ARG 58 1HB ARG 58 -2.188 7.839 -6.904 423 1HG ARG 58 2HG ARG 58 -2.769 9.272 -4.952 424 2HG ARG 58 1HG ARG 58 -1.774 10.547 -5.658 425 1HD ARG 58 2HD ARG 58 -3.569 9.526 -7.641 426 2HD ARG 58 1HD ARG 58 -4.478 9.952 -6.190 427 HE ARG 58 HE ARG 58 -2.609 11.972 -7.016 428 1HH1 ARG 58 1HH1 ARG 58 -5.838 10.721 -7.442 429 2HH1 ARG 58 2HH1 ARG 58 -6.483 12.228 -8.000 430 1HH2 ARG 58 1HH2 ARG 58 -3.455 13.956 -7.750 431 2HH2 ARG 58 2HH2 ARG 58 -5.129 14.065 -8.177 432 H CYS 59 H CYS 59 1.929 7.194 -5.444 433 HA CYS 59 HA CYS 59 2.118 5.561 -7.718 434 1HB CYS 59 2HB CYS 59 4.223 4.847 -6.819 435 2HB CYS 59 1HB CYS 59 4.031 6.560 -6.452 436 H ASN 60 H ASN 60 0.950 4.965 -4.496 437 HA ASN 60 HA ASN 60 0.844 2.077 -4.967 438 1HB ASN 60 2HB ASN 60 0.062 2.018 -2.564 439 2HB ASN 60 1HB ASN 60 1.697 2.639 -2.808 440 1HD2 ASN 60 1HD2 ASN 60 0.852 3.310 -0.514 441 2HD2 ASN 60 2HD2 ASN 60 0.237 4.933 -0.433 442 H ASN 61 H ASN 61 -0.872 3.955 -6.429 443 HA ASN 61 HA ASN 61 -3.493 3.903 -5.364 444 1HB ASN 61 2HB ASN 61 -4.148 4.470 -7.725 445 2HB ASN 61 1HB ASN 61 -2.960 5.551 -7.013 446 1HD2 ASN 61 1HD2 ASN 61 -3.649 4.726 -9.826 447 2HD2 ASN 61 2HD2 ASN 61 -2.123 4.280 -10.525 Start of MODEL 2 1 1H LEU 1 1HT LEU 1 4.583 15.336 -0.969 2 2H LEU 1 2HT LEU 1 5.748 14.589 -1.983 3 3H LEU 1 3HT LEU 1 5.002 13.693 -0.723 4 HA LEU 1 HA LEU 1 3.485 14.894 -2.919 5 1HB LEU 1 2HB LEU 1 3.623 12.790 -4.078 6 2HB LEU 1 1HB LEU 1 5.242 13.404 -3.796 7 HG LEU 1 HG LEU 1 4.304 11.636 -1.680 8 1HD1 LEU 1 1HD1 LEU 1 4.789 9.602 -3.197 9 2HD1 LEU 1 2HD1 LEU 1 4.361 10.690 -4.518 10 3HD1 LEU 1 3HD1 LEU 1 3.188 10.342 -3.249 11 1HD2 LEU 1 1HD2 LEU 1 6.493 11.074 -1.567 12 2HD2 LEU 1 2HD2 LEU 1 6.678 12.585 -2.457 13 3HD2 LEU 1 3HD2 LEU 1 6.690 11.047 -3.320 14 H GLU 2 H GLU 2 1.789 12.832 -3.315 15 HA GLU 2 HA GLU 2 0.654 12.199 -0.680 16 1HB GLU 2 2HB GLU 2 -0.382 14.181 -2.232 17 2HB GLU 2 1HB GLU 2 -1.307 12.798 -2.801 18 1HG GLU 2 2HG GLU 2 -2.265 12.423 -0.715 19 2HG GLU 2 1HG GLU 2 -1.039 13.375 0.122 20 H CYS 3 H CYS 3 0.547 10.064 -0.527 21 HA CYS 3 HA CYS 3 -0.115 8.516 -2.942 22 1HB CYS 3 2HB CYS 3 0.975 6.648 -1.306 23 2HB CYS 3 1HB CYS 3 1.886 7.546 -2.518 24 H HIS 4 H HIS 4 -0.823 6.141 -2.013 25 HA HIS 4 HA HIS 4 -3.225 6.737 -0.439 26 1HB HIS 4 2HB HIS 4 -2.620 4.314 -2.149 27 2HB HIS 4 1HB HIS 4 -4.166 4.699 -1.386 28 HD1 HIS 4 1HD HIS 4 -5.308 6.993 -2.304 29 HD2 HIS 4 2HD HIS 4 -2.341 5.296 -4.669 30 HE1 HIS 4 1HE HIS 4 -5.596 8.017 -4.582 31 HE2 HIS 4 2HE HIS 4 -3.845 6.912 -6.017 32 H ASN 5 H ASN 5 -3.942 5.231 1.174 33 HA ASN 5 HA ASN 5 -2.019 3.314 2.202 34 1HB ASN 5 2HB ASN 5 -2.098 4.318 4.493 35 2HB ASN 5 1HB ASN 5 -1.248 5.313 3.307 36 1HD2 ASN 5 1HD2 ASN 5 -4.027 5.014 5.342 37 2HD2 ASN 5 2HD2 ASN 5 -4.617 6.633 5.128 38 H GLN 6 H GLN 6 -4.465 2.826 1.053 39 HA GLN 6 HA GLN 6 -6.143 2.083 3.361 40 1HB GLN 6 2HB GLN 6 -8.087 2.237 1.929 41 2HB GLN 6 1HB GLN 6 -7.193 3.749 1.858 42 1HG GLN 6 2HG GLN 6 -6.432 1.810 -0.196 43 2HG GLN 6 1HG GLN 6 -8.103 2.360 -0.295 44 1HE2 GLN 6 1HE2 GLN 6 -6.319 2.916 -2.290 45 2HE2 GLN 6 2HE2 GLN 6 -5.969 4.617 -2.304 46 H GLN 7 H GLN 7 -7.829 0.302 2.294 47 HA GLN 7 HA GLN 7 -6.076 -1.849 1.310 48 1HB GLN 7 2HB GLN 7 -8.127 -3.214 2.395 49 2HB GLN 7 1HB GLN 7 -6.679 -2.783 3.289 50 1HG GLN 7 2HG GLN 7 -9.057 -0.968 3.247 51 2HG GLN 7 1HG GLN 7 -8.982 -2.346 4.346 52 1HE2 GLN 7 1HE2 GLN 7 -9.116 -0.667 5.989 53 2HE2 GLN 7 2HE2 GLN 7 -7.657 0.120 6.505 54 H SER 8 H SER 8 -7.776 -3.725 0.510 55 HA SER 8 HA SER 8 -8.992 -2.530 -1.832 56 1HB SER 8 2HB SER 8 -9.168 -4.757 -2.692 57 2HB SER 8 1HB SER 8 -7.597 -4.643 -1.890 58 HG SER 8 HG SER 8 -9.961 -5.884 -0.946 59 H SER 9 H SER 9 -11.166 -3.043 -2.521 60 HA SER 9 HA SER 9 -13.410 -3.393 -2.266 61 1HB SER 9 2HB SER 9 -12.572 -5.275 -0.643 62 2HB SER 9 1HB SER 9 -13.106 -4.162 0.617 63 HG SER 9 HG SER 9 -14.849 -5.412 0.143 64 H GLN 10 H GLN 10 -12.013 -2.123 0.764 65 HA GLN 10 HA GLN 10 -14.118 -0.487 1.509 66 1HB GLN 10 2HB GLN 10 -11.220 -0.588 2.082 67 2HB GLN 10 1HB GLN 10 -12.016 0.950 2.417 68 1HG GLN 10 2HG GLN 10 -13.462 -1.390 3.404 69 2HG GLN 10 1HG GLN 10 -11.867 -1.161 4.127 70 1HE2 GLN 10 1HE2 GLN 10 -11.510 1.371 4.497 71 2HE2 GLN 10 2HE2 GLN 10 -12.771 2.105 5.440 72 H ALA 11 H ALA 11 -13.465 2.083 1.720 73 HA ALA 11 HA ALA 11 -13.556 3.006 -1.053 74 1HB ALA 11 1HB ALA 11 -14.612 3.997 1.519 75 2HB ALA 11 2HB ALA 11 -15.329 4.025 -0.091 76 3HB ALA 11 3HB ALA 11 -14.112 5.221 0.352 77 HA PRO 12 HA PRO 12 -9.136 3.967 -0.682 78 1HB PRO 12 2HB PRO 12 -10.053 5.512 -3.083 79 2HB PRO 12 1HB PRO 12 -8.561 4.587 -2.848 80 1HG PRO 12 2HG PRO 12 -10.522 3.496 -4.216 81 2HG PRO 12 1HG PRO 12 -9.666 2.533 -2.987 82 1HD PRO 12 2HD PRO 12 -12.375 3.795 -2.852 83 2HD PRO 12 1HD PRO 12 -11.817 2.238 -2.197 84 H THR 13 H THR 13 -7.876 6.034 -0.711 85 HA THR 13 HA THR 13 -9.292 8.500 -0.288 86 HB THR 13 HB THR 13 -9.616 7.523 1.907 87 HG1 THR 13 1HG THR 13 -8.646 9.137 3.113 88 1HG2 THR 13 1HG2 THR 13 -7.708 5.933 1.841 89 2HG2 THR 13 2HG2 THR 13 -7.854 6.836 3.349 90 3HG2 THR 13 3HG2 THR 13 -6.631 7.292 2.163 91 H THR 14 H THR 14 -7.546 10.152 0.705 92 HA THR 14 HA THR 14 -4.862 9.599 -0.242 93 HB THR 14 HB THR 14 -5.106 11.940 -1.514 94 HG1 THR 14 1HG THR 14 -7.124 11.934 -2.610 95 1HG2 THR 14 1HG2 THR 14 -4.369 10.544 -3.070 96 2HG2 THR 14 2HG2 THR 14 -6.063 10.272 -3.478 97 3HG2 THR 14 3HG2 THR 14 -5.235 9.177 -2.371 98 H LYS 15 H LYS 15 -3.467 10.469 1.133 99 HA LYS 15 HA LYS 15 -3.840 13.094 2.237 100 1HB LYS 15 2HB LYS 15 -4.936 10.968 3.678 101 2HB LYS 15 1HB LYS 15 -3.411 11.305 4.483 102 1HG LYS 15 2HG LYS 15 -4.587 13.801 4.017 103 2HG LYS 15 1HG LYS 15 -5.887 12.751 4.580 104 1HD LYS 15 2HD LYS 15 -3.616 12.231 6.195 105 2HD LYS 15 1HD LYS 15 -3.800 13.983 6.087 106 1HE LYS 15 2HE LYS 15 -5.277 13.728 7.752 107 2HE LYS 15 1HE LYS 15 -6.374 13.181 6.484 108 1HZ LYS 15 1HZ LYS 15 -6.026 10.969 7.028 109 2HZ LYS 15 2HZ LYS 15 -6.066 11.718 8.544 110 3HZ LYS 15 3HZ LYS 15 -4.583 11.278 7.858 111 H THR 16 H THR 16 -1.946 13.956 3.095 112 HA THR 16 HA THR 16 0.468 12.548 2.326 113 HB THR 16 HB THR 16 0.203 15.296 3.557 114 HG1 THR 16 1HG THR 16 0.361 14.629 0.808 115 1HG2 THR 16 1HG2 THR 16 2.463 14.745 3.652 116 2HG2 THR 16 2HG2 THR 16 2.300 15.667 2.156 117 3HG2 THR 16 3HG2 THR 16 2.419 13.907 2.101 118 H CYS 17 H CYS 17 2.313 12.360 3.757 119 HA CYS 17 HA CYS 17 1.475 11.806 6.519 120 1HB CYS 17 2HB CYS 17 3.693 10.669 4.816 121 2HB CYS 17 1HB CYS 17 3.601 10.402 6.559 122 H SER 18 H SER 18 2.318 12.921 8.165 123 HA SER 18 HA SER 18 4.109 15.107 7.612 124 1HB SER 18 2HB SER 18 3.887 15.183 10.289 125 2HB SER 18 1HB SER 18 2.641 15.817 9.215 126 HG SER 18 HG SER 18 2.691 13.214 10.347 127 H GLY 19 H GLY 19 6.176 14.537 7.234 128 1HA GLY 19 2HA GLY 19 8.292 14.232 8.420 129 2HA GLY 19 1HA GLY 19 7.515 12.935 9.327 130 H GLU 20 H GLU 20 6.297 11.483 7.358 131 HA GLU 20 HA GLU 20 8.423 9.945 6.343 132 1HB GLU 20 2HB GLU 20 5.457 9.972 5.967 133 2HB GLU 20 1HB GLU 20 6.443 8.998 4.877 134 1HG GLU 20 2HG GLU 20 6.813 8.749 7.826 135 2HG GLU 20 1HG GLU 20 5.448 7.956 7.041 136 H THR 21 H THR 21 8.106 9.276 3.816 137 HA THR 21 HA THR 21 7.808 11.586 2.111 138 HB THR 21 HB THR 21 10.505 10.247 2.351 139 HG1 THR 21 1HG THR 21 11.155 12.273 3.161 140 1HG2 THR 21 1HG2 THR 21 9.996 12.773 0.854 141 2HG2 THR 21 2HG2 THR 21 9.727 11.211 0.078 142 3HG2 THR 21 3HG2 THR 21 11.324 11.622 0.703 143 H ASN 22 H ASN 22 8.951 8.247 2.368 144 HA ASN 22 HA ASN 22 8.077 7.749 -0.382 145 1HB ASN 22 2HB ASN 22 9.312 5.557 1.184 146 2HB ASN 22 1HB ASN 22 9.565 6.028 -0.497 147 1HD2 ASN 22 1HD2 ASN 22 11.268 5.507 2.019 148 2HD2 ASN 22 2HD2 ASN 22 12.405 6.816 1.991 149 H CYS 23 H CYS 23 6.748 5.942 -0.889 150 HA CYS 23 HA CYS 23 5.068 4.999 1.336 151 1HB CYS 23 2HB CYS 23 4.316 6.339 -1.171 152 2HB CYS 23 1HB CYS 23 3.403 4.866 -0.842 153 H TYR 24 H TYR 24 3.551 3.132 0.035 154 HA TYR 24 HA TYR 24 5.192 1.467 -1.634 155 1HB TYR 24 2HB TYR 24 5.276 -0.452 -0.077 156 2HB TYR 24 1HB TYR 24 6.207 0.931 0.500 157 HD1 TYR 24 1HD TYR 24 2.817 -0.604 0.825 158 HD2 TYR 24 2HD TYR 24 5.918 1.632 2.691 159 HE1 TYR 24 1HE TYR 24 1.582 -0.676 2.950 160 HE2 TYR 24 2HE TYR 24 4.692 1.566 4.821 161 HH TYR 24 HH TYR 24 2.627 -0.383 5.696 162 H LYS 25 H LYS 25 4.133 -0.811 -1.759 163 HA LYS 25 HA LYS 25 1.253 -0.785 -1.442 164 1HB LYS 25 2HB LYS 25 2.062 0.261 -3.751 165 2HB LYS 25 1HB LYS 25 2.201 -1.439 -4.194 166 1HG LYS 25 2HG LYS 25 -0.315 -0.840 -2.879 167 2HG LYS 25 1HG LYS 25 -0.069 0.111 -4.343 168 1HD LYS 25 2HD LYS 25 0.704 -2.636 -4.762 169 2HD LYS 25 1HD LYS 25 -0.954 -2.534 -4.170 170 1HE LYS 25 2HE LYS 25 -0.929 -2.467 -6.591 171 2HE LYS 25 1HE LYS 25 -1.471 -0.917 -5.948 172 1HZ LYS 25 1HZ LYS 25 0.940 -1.569 -7.432 173 2HZ LYS 25 2HZ LYS 25 1.137 -0.469 -6.163 174 3HZ LYS 25 3HZ LYS 25 0.037 -0.137 -7.404 175 H LYS 26 H LYS 26 0.674 -2.734 -0.763 176 HA LYS 26 HA LYS 26 2.332 -5.039 -1.539 177 1HB LYS 26 2HB LYS 26 1.184 -5.832 0.807 178 2HB LYS 26 1HB LYS 26 2.798 -5.166 0.652 179 1HG LYS 26 2HG LYS 26 1.999 -2.965 1.231 180 2HG LYS 26 1HG LYS 26 0.339 -3.558 1.284 181 1HD LYS 26 2HD LYS 26 0.592 -4.393 3.348 182 2HD LYS 26 1HD LYS 26 2.160 -5.101 2.960 183 1HE LYS 26 2HE LYS 26 2.985 -2.631 3.062 184 2HE LYS 26 1HE LYS 26 1.510 -2.372 3.992 185 1HZ LYS 26 1HZ LYS 26 3.542 -4.427 4.664 186 2HZ LYS 26 2HZ LYS 26 2.217 -3.954 5.603 187 3HZ LYS 26 3HZ LYS 26 3.502 -2.882 5.353 188 H TRP 27 H TRP 27 1.291 -7.042 -1.816 189 HA TRP 27 HA TRP 27 -1.569 -7.221 -1.614 190 1HB TRP 27 2HB TRP 27 -1.927 -7.788 -4.007 191 2HB TRP 27 1HB TRP 27 -1.494 -6.119 -3.751 192 HD1 TRP 27 HD TRP 27 -0.462 -9.164 -5.518 193 HE1 TRP 27 1HE TRP 27 1.614 -8.698 -6.945 194 HE3 TRP 27 3HE TRP 27 0.746 -4.568 -3.690 195 HZ2 TRP 27 2HZ TRP 27 3.530 -6.647 -7.266 196 HZ3 TRP 27 3HZ TRP 27 2.712 -3.411 -4.612 197 HH2 TRP 27 HH TRP 27 4.075 -4.429 -6.361 198 H TRP 28 H TRP 28 -2.382 -9.329 -2.369 199 HA TRP 28 HA TRP 28 -0.488 -11.466 -2.746 200 1HB TRP 28 2HB TRP 28 -1.220 -12.690 -0.676 201 2HB TRP 28 1HB TRP 28 -0.251 -11.254 -0.359 202 HD1 TRP 28 HD TRP 28 -3.749 -12.627 0.046 203 HE1 TRP 28 1HE TRP 28 -5.041 -11.078 1.604 204 HE3 TRP 28 3HE TRP 28 -0.377 -8.798 0.431 205 HZ2 TRP 28 2HZ TRP 28 -4.724 -8.582 2.866 206 HZ3 TRP 28 3HZ TRP 28 -0.956 -6.865 1.840 207 HH2 TRP 28 HH TRP 28 -3.087 -6.763 3.031 208 H SER 29 H SER 29 -1.791 -13.654 -2.418 209 HA SER 29 HA SER 29 -4.504 -13.292 -3.500 210 1HB SER 29 2HB SER 29 -2.800 -13.887 -5.279 211 2HB SER 29 1HB SER 29 -2.593 -15.435 -4.449 212 HG SER 29 HG SER 29 -4.307 -15.008 -6.269 213 H ASP 30 H ASP 30 -5.939 -14.209 -2.198 214 HA ASP 30 HA ASP 30 -5.209 -16.711 -0.833 215 1HB ASP 30 2HB ASP 30 -5.457 -14.358 0.496 216 2HB ASP 30 1HB ASP 30 -7.115 -14.954 0.583 217 H HIS 31 H HIS 31 -7.682 -17.096 0.441 218 HA HIS 31 HA HIS 31 -9.153 -18.357 -1.582 219 1HB HIS 31 2HB HIS 31 -10.847 -18.769 0.127 220 2HB HIS 31 1HB HIS 31 -9.236 -19.041 0.784 221 HD1 HIS 31 1HD HIS 31 -12.323 -17.492 1.627 222 HD2 HIS 31 2HD HIS 31 -8.323 -16.543 2.235 223 HE1 HIS 31 1HE HIS 31 -12.303 -15.849 3.531 224 HE2 HIS 31 2HE HIS 31 -9.881 -15.221 3.821 225 H ARG 32 H ARG 32 -9.589 -15.232 0.010 226 HA ARG 32 HA ARG 32 -12.077 -14.589 -1.124 227 1HB ARG 32 2HB ARG 32 -9.876 -12.695 -0.286 228 2HB ARG 32 1HB ARG 32 -11.587 -12.314 -0.454 229 1HG ARG 32 2HG ARG 32 -12.168 -13.475 1.464 230 2HG ARG 32 1HG ARG 32 -10.687 -14.434 1.448 231 1HD ARG 32 2HD ARG 32 -10.437 -12.873 3.203 232 2HD ARG 32 1HD ARG 32 -9.438 -12.281 1.875 233 HE ARG 32 HE ARG 32 -11.786 -10.993 1.500 234 1HH1 ARG 32 1HH1 ARG 32 -9.676 -11.347 4.258 235 2HH1 ARG 32 2HH1 ARG 32 -10.097 -9.811 4.936 236 1HH2 ARG 32 1HH2 ARG 32 -12.342 -8.972 2.391 237 2HH2 ARG 32 2HH2 ARG 32 -11.611 -8.462 3.876 238 H GLY 33 H GLY 33 -8.814 -14.408 -2.331 239 1HA GLY 33 2HA GLY 33 -8.897 -14.520 -4.885 240 2HA GLY 33 1HA GLY 33 -9.773 -12.997 -4.736 241 H THR 34 H THR 34 -8.661 -11.124 -4.409 242 HA THR 34 HA THR 34 -5.784 -11.281 -3.894 243 HB THR 34 HB THR 34 -6.840 -9.519 -6.094 244 HG1 THR 34 1HG THR 34 -7.290 -11.687 -6.648 245 1HG2 THR 34 1HG2 THR 34 -4.102 -10.604 -5.483 246 2HG2 THR 34 2HG2 THR 34 -4.640 -8.931 -5.335 247 3HG2 THR 34 3HG2 THR 34 -4.528 -9.684 -6.926 248 H ILE 35 H ILE 35 -5.129 -9.795 -2.474 249 HA ILE 35 HA ILE 35 -6.863 -7.450 -2.020 250 HB ILE 35 HB ILE 35 -5.235 -8.817 0.118 251 1HG1 ILE 35 2HG1 ILE 35 -8.194 -9.078 -0.469 252 2HG1 ILE 35 1HG1 ILE 35 -6.987 -10.344 -0.678 253 1HG2 ILE 35 1HG2 ILE 35 -5.759 -6.425 0.439 254 2HG2 ILE 35 2HG2 ILE 35 -6.514 -7.461 1.650 255 3HG2 ILE 35 3HG2 ILE 35 -7.475 -6.812 0.322 256 1HD1 ILE 35 1HD1 ILE 35 -7.551 -11.002 1.364 257 2HD1 ILE 35 2HD1 ILE 35 -8.412 -9.499 1.700 258 3HD1 ILE 35 3HD1 ILE 35 -6.668 -9.592 1.949 259 H ILE 36 H ILE 36 -5.844 -5.489 -1.504 260 HA ILE 36 HA ILE 36 -2.922 -5.426 -1.623 261 HB ILE 36 HB ILE 36 -2.830 -3.737 -3.310 262 1HG1 ILE 36 2HG1 ILE 36 -5.858 -3.812 -3.289 263 2HG1 ILE 36 1HG1 ILE 36 -4.840 -2.476 -2.762 264 1HG2 ILE 36 1HG2 ILE 36 -3.479 -6.307 -3.823 265 2HG2 ILE 36 2HG2 ILE 36 -3.086 -5.121 -5.066 266 3HG2 ILE 36 3HG2 ILE 36 -4.771 -5.470 -4.682 267 1HD1 ILE 36 1HD1 ILE 36 -5.039 -1.646 -4.801 268 2HD1 ILE 36 2HD1 ILE 36 -5.808 -3.121 -5.390 269 3HD1 ILE 36 3HD1 ILE 36 -4.049 -2.986 -5.377 270 H GLU 37 H GLU 37 -2.063 -4.039 -0.174 271 HA GLU 37 HA GLU 37 -3.804 -1.917 0.892 272 1HB GLU 37 2HB GLU 37 -2.059 -2.380 2.942 273 2HB GLU 37 1HB GLU 37 -3.693 -3.030 2.846 274 1HG GLU 37 2HG GLU 37 -2.900 -5.110 2.029 275 2HG GLU 37 1HG GLU 37 -1.274 -4.471 1.795 276 H ARG 38 H ARG 38 -2.533 -0.123 1.938 277 HA ARG 38 HA ARG 38 0.122 0.239 0.761 278 1HB ARG 38 2HB ARG 38 -2.062 2.314 0.525 279 2HB ARG 38 1HB ARG 38 -0.421 2.443 -0.092 280 1HG ARG 38 2HG ARG 38 -1.552 1.881 -1.992 281 2HG ARG 38 1HG ARG 38 -1.075 0.283 -1.416 282 1HD ARG 38 2HD ARG 38 -3.194 -0.332 -0.993 283 2HD ARG 38 1HD ARG 38 -3.624 1.249 -0.341 284 HE ARG 38 HE ARG 38 -3.378 1.617 -3.052 285 1HH1 ARG 38 1HH1 ARG 38 -5.314 -0.392 -0.956 286 2HH1 ARG 38 2HH1 ARG 38 -6.658 -0.453 -2.047 287 1HH2 ARG 38 1HH2 ARG 38 -5.145 1.539 -4.488 288 2HH2 ARG 38 2HH2 ARG 38 -6.562 0.643 -4.053 289 H GLY 39 H GLY 39 1.145 2.319 1.606 290 1HA GLY 39 2HA GLY 39 0.229 3.524 3.986 291 2HA GLY 39 1HA GLY 39 1.311 2.201 4.395 292 H CYS 40 H CYS 40 2.291 4.359 5.309 293 HA CYS 40 HA CYS 40 4.000 5.611 3.279 294 1HB CYS 40 2HB CYS 40 2.886 6.475 5.881 295 2HB CYS 40 1HB CYS 40 4.530 7.014 5.534 296 H GLY 41 H GLY 41 6.101 5.154 3.151 297 1HA GLY 41 2HA GLY 41 8.193 4.891 4.497 298 2HA GLY 41 1HA GLY 41 7.317 3.648 5.386 299 H CYS 42 H CYS 42 9.021 2.183 4.833 300 HA CYS 42 HA CYS 42 8.465 0.747 2.411 301 1HB CYS 42 2HB CYS 42 10.002 2.449 1.542 302 2HB CYS 42 1HB CYS 42 11.197 2.007 2.765 303 HA PRO 43 HA PRO 43 10.217 -1.665 6.024 304 1HB PRO 43 2HB PRO 43 7.989 -2.874 6.894 305 2HB PRO 43 1HB PRO 43 8.401 -1.223 7.392 306 1HG PRO 43 2HG PRO 43 6.461 -2.148 5.306 307 2HG PRO 43 1HG PRO 43 6.281 -0.857 6.513 308 1HD PRO 43 2HD PRO 43 6.961 -0.430 3.882 309 2HD PRO 43 1HD PRO 43 7.381 0.671 5.213 310 H LYS 44 H LYS 44 9.429 -4.179 6.460 311 HA LYS 44 HA LYS 44 9.655 -5.438 3.813 312 1HB LYS 44 2HB LYS 44 10.609 -6.230 6.546 313 2HB LYS 44 1HB LYS 44 10.401 -7.444 5.291 314 1HG LYS 44 2HG LYS 44 12.550 -6.963 4.856 315 2HG LYS 44 1HG LYS 44 11.846 -5.631 3.937 316 1HD LYS 44 2HD LYS 44 11.987 -4.603 6.479 317 2HD LYS 44 1HD LYS 44 13.447 -5.588 6.380 318 1HE LYS 44 2HE LYS 44 13.799 -4.424 4.102 319 2HE LYS 44 1HE LYS 44 12.628 -3.247 4.697 320 1HZ LYS 44 1HZ LYS 44 14.912 -2.575 5.154 321 2HZ LYS 44 2HZ LYS 44 15.163 -3.982 6.061 322 3HZ LYS 44 3HZ LYS 44 14.051 -2.822 6.590 323 H VAL 45 H VAL 45 8.802 -7.835 3.934 324 HA VAL 45 HA VAL 45 6.238 -7.924 5.358 325 HB VAL 45 HB VAL 45 5.243 -8.956 3.238 326 1HG1 VAL 45 1HG1 VAL 45 4.158 -7.022 3.115 327 2HG1 VAL 45 2HG1 VAL 45 5.567 -6.223 2.420 328 3HG1 VAL 45 3HG1 VAL 45 5.381 -6.317 4.171 329 1HG2 VAL 45 1HG2 VAL 45 7.071 -7.310 1.620 330 2HG2 VAL 45 2HG2 VAL 45 6.312 -8.860 1.255 331 3HG2 VAL 45 3HG2 VAL 45 7.757 -8.801 2.265 332 H LYS 46 H LYS 46 5.332 -10.074 5.518 333 HA LYS 46 HA LYS 46 7.352 -12.032 5.921 334 1HB LYS 46 2HB LYS 46 5.157 -13.438 6.476 335 2HB LYS 46 1HB LYS 46 5.870 -12.307 7.616 336 1HG LYS 46 2HG LYS 46 4.281 -10.619 7.024 337 2HG LYS 46 1HG LYS 46 3.627 -11.625 5.731 338 1HD LYS 46 2HD LYS 46 3.065 -13.325 7.522 339 2HD LYS 46 1HD LYS 46 3.448 -12.070 8.703 340 1HE LYS 46 2HE LYS 46 1.781 -10.661 7.214 341 2HE LYS 46 1HE LYS 46 1.175 -12.261 6.792 342 1HZ LYS 46 1HZ LYS 46 1.589 -11.763 9.624 343 2HZ LYS 46 2HZ LYS 46 0.333 -12.580 8.841 344 3HZ LYS 46 3HZ LYS 46 0.333 -10.890 8.900 345 HA PRO 47 HA PRO 47 7.540 -14.165 2.069 346 1HB PRO 47 2HB PRO 47 6.978 -16.599 3.653 347 2HB PRO 47 1HB PRO 47 8.321 -16.239 2.578 348 1HG PRO 47 2HG PRO 47 8.356 -16.154 5.352 349 2HG PRO 47 1HG PRO 47 9.592 -15.519 4.262 350 1HD PRO 47 2HD PRO 47 7.885 -14.048 5.973 351 2HD PRO 47 1HD PRO 47 9.010 -13.416 4.755 352 H GLY 48 H GLY 48 6.018 -14.466 0.562 353 1HA GLY 48 2HA GLY 48 4.080 -15.688 -0.226 354 2HA GLY 48 1HA GLY 48 3.409 -15.564 1.400 355 H VAL 49 H VAL 49 4.244 -12.726 1.610 356 HA VAL 49 HA VAL 49 2.027 -11.599 0.049 357 HB VAL 49 HB VAL 49 3.436 -10.377 2.425 358 1HG1 VAL 49 1HG1 VAL 49 1.523 -9.372 0.535 359 2HG1 VAL 49 2HG1 VAL 49 2.325 -8.537 1.864 360 3HG1 VAL 49 3HG1 VAL 49 0.817 -9.406 2.151 361 1HG2 VAL 49 1HG2 VAL 49 0.985 -11.015 3.347 362 2HG2 VAL 49 2HG2 VAL 49 2.404 -12.044 3.542 363 3HG2 VAL 49 3HG2 VAL 49 1.260 -12.356 2.237 364 H ASN 50 H ASN 50 2.387 -10.178 -1.536 365 HA ASN 50 HA ASN 50 5.120 -9.437 -2.157 366 1HB ASN 50 2HB ASN 50 2.791 -8.452 -3.753 367 2HB ASN 50 1HB ASN 50 4.392 -8.951 -4.299 368 1HD2 ASN 50 1HD2 ASN 50 1.168 -9.864 -3.835 369 2HD2 ASN 50 2HD2 ASN 50 1.327 -11.541 -4.258 370 H LEU 51 H LEU 51 5.855 -7.306 -2.431 371 HA LEU 51 HA LEU 51 4.214 -5.067 -1.717 372 1HB LEU 51 2HB LEU 51 4.681 -5.851 0.501 373 2HB LEU 51 1HB LEU 51 6.385 -6.037 0.132 374 HG LEU 51 HG LEU 51 6.312 -3.461 -0.277 375 1HD1 LEU 51 1HD1 LEU 51 3.756 -3.552 -0.013 376 2HD1 LEU 51 2HD1 LEU 51 4.640 -2.244 0.774 377 3HD1 LEU 51 3HD1 LEU 51 4.088 -3.629 1.717 378 1HD2 LEU 51 1HD2 LEU 51 7.231 -5.000 1.701 379 2HD2 LEU 51 2HD2 LEU 51 6.015 -4.087 2.597 380 3HD2 LEU 51 3HD2 LEU 51 7.305 -3.238 1.745 381 H ASN 52 H ASN 52 5.170 -3.079 -2.257 382 HA ASN 52 HA ASN 52 7.929 -3.021 -3.127 383 1HB ASN 52 2HB ASN 52 7.632 -2.715 -5.392 384 2HB ASN 52 1HB ASN 52 6.348 -3.865 -5.048 385 1HD2 ASN 52 1HD2 ASN 52 4.333 -2.439 -4.092 386 2HD2 ASN 52 2HD2 ASN 52 3.820 -1.232 -5.216 387 H CYS 53 H CYS 53 8.794 -1.132 -2.568 388 HA CYS 53 HA CYS 53 7.097 1.014 -1.672 389 1HB CYS 53 2HB CYS 53 10.096 1.127 -1.867 390 2HB CYS 53 1HB CYS 53 9.030 1.961 -0.741 391 H CYS 54 H CYS 54 7.343 3.220 -2.388 392 HA CYS 54 HA CYS 54 8.692 3.813 -4.850 393 1HB CYS 54 2HB CYS 54 6.440 4.589 -5.906 394 2HB CYS 54 1HB CYS 54 6.920 2.898 -6.038 395 H ARG 55 H ARG 55 8.616 5.947 -5.447 396 HA ARG 55 HA ARG 55 7.825 7.745 -3.275 397 1HB ARG 55 2HB ARG 55 9.907 8.806 -4.926 398 2HB ARG 55 1HB ARG 55 9.923 8.454 -3.207 399 1HG ARG 55 2HG ARG 55 10.577 6.158 -3.678 400 2HG ARG 55 1HG ARG 55 10.550 6.507 -5.409 401 1HD ARG 55 2HD ARG 55 12.263 8.039 -3.470 402 2HD ARG 55 1HD ARG 55 12.816 6.562 -4.262 403 HE ARG 55 HE ARG 55 11.843 8.288 -6.221 404 1HH1 ARG 55 1HH1 ARG 55 14.479 8.114 -3.943 405 2HH1 ARG 55 2HH1 ARG 55 15.556 9.053 -4.923 406 1HH2 ARG 55 1HH2 ARG 55 13.258 9.524 -7.514 407 2HH2 ARG 55 2HH2 ARG 55 14.862 9.853 -6.950 408 H THR 56 H THR 56 6.133 7.051 -5.486 409 HA THR 56 HA THR 56 6.039 9.633 -6.904 410 HB THR 56 HB THR 56 4.608 7.366 -8.130 411 HG1 THR 56 1HG THR 56 7.418 7.382 -7.855 412 1HG2 THR 56 1HG2 THR 56 5.041 9.691 -9.117 413 2HG2 THR 56 2HG2 THR 56 5.277 8.279 -10.148 414 3HG2 THR 56 3HG2 THR 56 6.670 9.092 -9.432 415 H ASP 57 H ASP 57 4.000 10.579 -7.237 416 HA ASP 57 HA ASP 57 2.185 10.329 -5.113 417 1HB ASP 57 2HB ASP 57 2.444 12.391 -6.432 418 2HB ASP 57 1HB ASP 57 1.742 11.581 -7.834 419 H ARG 58 H ARG 58 0.582 8.948 -4.750 420 HA ARG 58 HA ARG 58 -0.927 7.269 -5.023 421 1HB ARG 58 2HB ARG 58 -1.159 8.548 -7.751 422 2HB ARG 58 1HB ARG 58 -2.245 7.292 -7.156 423 1HG ARG 58 2HG ARG 58 -2.792 8.815 -5.239 424 2HG ARG 58 1HG ARG 58 -1.884 10.074 -6.077 425 1HD ARG 58 2HD ARG 58 -3.393 10.098 -7.887 426 2HD ARG 58 1HD ARG 58 -4.132 8.576 -7.393 427 HE ARG 58 HE ARG 58 -4.407 10.690 -5.460 428 1HH1 ARG 58 1HH1 ARG 58 -5.788 9.204 -8.299 429 2HH1 ARG 58 2HH1 ARG 58 -7.386 9.792 -7.983 430 1HH2 ARG 58 1HH2 ARG 58 -6.506 11.465 -5.043 431 2HH2 ARG 58 2HH2 ARG 58 -7.794 11.078 -6.135 432 H CYS 59 H CYS 59 1.906 6.823 -5.700 433 HA CYS 59 HA CYS 59 2.197 5.177 -7.944 434 1HB CYS 59 2HB CYS 59 4.277 4.485 -6.957 435 2HB CYS 59 1HB CYS 59 4.051 6.199 -6.616 436 H ASN 60 H ASN 60 1.079 4.520 -4.690 437 HA ASN 60 HA ASN 60 0.926 1.652 -5.248 438 1HB ASN 60 2HB ASN 60 0.227 1.521 -2.825 439 2HB ASN 60 1HB ASN 60 1.856 2.145 -3.105 440 1HD2 ASN 60 1HD2 ASN 60 1.924 3.224 -1.157 441 2HD2 ASN 60 2HD2 ASN 60 0.996 4.659 -0.852 442 H ASN 61 H ASN 61 -0.848 3.741 -6.479 443 HA ASN 61 HA ASN 61 -3.415 3.620 -5.361 444 1HB ASN 61 2HB ASN 61 -4.184 4.432 -7.522 445 2HB ASN 61 1HB ASN 61 -2.715 5.275 -7.053 446 1HD2 ASN 61 1HD2 ASN 61 -4.248 3.956 -9.581 447 2HD2 ASN 61 2HD2 ASN 61 -2.892 3.527 -10.576 Start of MODEL 3 1 1H LEU 1 1HT LEU 1 4.200 14.371 1.125 2 2H LEU 1 2HT LEU 1 3.767 15.549 -0.047 3 3H LEU 1 3HT LEU 1 5.304 14.789 -0.119 4 HA LEU 1 HA LEU 1 3.605 14.002 -1.724 5 1HB LEU 1 2HB LEU 1 5.716 12.831 -0.621 6 2HB LEU 1 1HB LEU 1 4.489 11.768 0.041 7 HG LEU 1 HG LEU 1 4.427 12.283 -2.888 8 1HD1 LEU 1 1HD1 LEU 1 6.038 10.349 -3.154 9 2HD1 LEU 1 2HD1 LEU 1 6.512 10.638 -1.480 10 3HD1 LEU 1 3HD1 LEU 1 6.744 11.898 -2.693 11 1HD2 LEU 1 1HD2 LEU 1 2.948 10.743 -1.256 12 2HD2 LEU 1 2HD2 LEU 1 4.204 9.589 -1.705 13 3HD2 LEU 1 3HD2 LEU 1 3.234 10.366 -2.955 14 H GLU 2 H GLU 2 1.640 13.091 -2.057 15 HA GLU 2 HA GLU 2 0.085 12.339 0.332 16 1HB GLU 2 2HB GLU 2 -0.690 13.935 -2.088 17 2HB GLU 2 1HB GLU 2 -1.910 13.052 -1.181 18 1HG GLU 2 2HG GLU 2 -1.841 14.474 0.562 19 2HG GLU 2 1HG GLU 2 -0.106 14.749 0.409 20 H CYS 3 H CYS 3 0.304 10.146 0.236 21 HA CYS 3 HA CYS 3 0.026 8.698 -2.225 22 1HB CYS 3 2HB CYS 3 0.017 7.573 0.576 23 2HB CYS 3 1HB CYS 3 0.460 6.755 -0.919 24 H HIS 4 H HIS 4 -1.428 6.483 -1.528 25 HA HIS 4 HA HIS 4 -4.143 7.583 -1.455 26 1HB HIS 4 2HB HIS 4 -2.931 5.096 -2.604 27 2HB HIS 4 1HB HIS 4 -4.653 5.124 -2.220 28 HD1 HIS 4 1HD HIS 4 -5.522 7.822 -3.188 29 HD2 HIS 4 2HD HIS 4 -2.809 5.470 -5.281 30 HE1 HIS 4 1HE HIS 4 -5.631 8.626 -5.566 31 HE2 HIS 4 2HE HIS 4 -4.084 7.097 -6.836 32 H ASN 5 H ASN 5 -2.028 5.280 0.130 33 HA ASN 5 HA ASN 5 -2.291 3.936 1.962 34 1HB ASN 5 2HB ASN 5 -3.006 5.127 3.956 35 2HB ASN 5 1HB ASN 5 -2.029 6.193 2.943 36 1HD2 ASN 5 1HD2 ASN 5 -5.200 5.505 4.174 37 2HD2 ASN 5 2HD2 ASN 5 -5.926 7.015 3.719 38 H GLN 6 H GLN 6 -4.380 3.632 -0.052 39 HA GLN 6 HA GLN 6 -6.787 3.114 1.508 40 1HB GLN 6 2HB GLN 6 -7.848 2.626 -0.624 41 2HB GLN 6 1HB GLN 6 -6.995 4.162 -0.714 42 1HG GLN 6 2HG GLN 6 -5.060 2.657 -1.657 43 2HG GLN 6 1HG GLN 6 -6.396 1.574 -2.045 44 1HE2 GLN 6 1HE2 GLN 6 -6.071 1.842 -4.254 45 2HE2 GLN 6 2HE2 GLN 6 -6.519 3.303 -5.079 46 H GLN 7 H GLN 7 -7.303 1.179 2.297 47 HA GLN 7 HA GLN 7 -5.704 -1.134 1.449 48 1HB GLN 7 2HB GLN 7 -6.838 -2.044 3.678 49 2HB GLN 7 1HB GLN 7 -5.355 -1.105 3.704 50 1HG GLN 7 2HG GLN 7 -7.999 0.263 3.932 51 2HG GLN 7 1HG GLN 7 -7.286 -0.534 5.334 52 1HE2 GLN 7 1HE2 GLN 7 -4.870 0.034 5.594 53 2HE2 GLN 7 2HE2 GLN 7 -4.493 1.725 5.477 54 H SER 8 H SER 8 -6.728 -3.162 1.129 55 HA SER 8 HA SER 8 -8.317 -4.537 0.260 56 1HB SER 8 2HB SER 8 -10.365 -2.821 1.670 57 2HB SER 8 1HB SER 8 -10.472 -4.541 1.276 58 HG SER 8 HG SER 8 -8.614 -3.389 3.090 59 H SER 9 H SER 9 -10.925 -4.083 -0.618 60 HA SER 9 HA SER 9 -10.392 -2.409 -2.954 61 1HB SER 9 2HB SER 9 -12.625 -4.390 -2.450 62 2HB SER 9 1HB SER 9 -12.311 -3.557 -3.972 63 HG SER 9 HG SER 9 -10.605 -5.407 -2.659 64 H GLN 10 H GLN 10 -11.106 -1.309 -0.290 65 HA GLN 10 HA GLN 10 -13.796 -0.390 -0.387 66 1HB GLN 10 2HB GLN 10 -11.391 0.170 1.262 67 2HB GLN 10 1HB GLN 10 -12.662 1.393 1.254 68 1HG GLN 10 2HG GLN 10 -13.673 -1.305 1.619 69 2HG GLN 10 1HG GLN 10 -12.533 -0.817 2.874 70 1HE2 GLN 10 1HE2 GLN 10 -14.139 -0.764 4.441 71 2HE2 GLN 10 2HE2 GLN 10 -15.332 0.497 4.499 72 H ALA 11 H ALA 11 -13.906 2.229 -0.046 73 HA ALA 11 HA ALA 11 -13.475 3.270 -2.665 74 1HB ALA 11 1HB ALA 11 -14.892 4.924 -2.067 75 2HB ALA 11 2HB ALA 11 -14.137 5.148 -0.489 76 3HB ALA 11 3HB ALA 11 -15.269 3.820 -0.745 77 HA PRO 12 HA PRO 12 -9.138 4.376 -2.074 78 1HB PRO 12 2HB PRO 12 -10.075 6.202 -4.264 79 2HB PRO 12 1HB PRO 12 -8.549 5.315 -4.120 80 1HG PRO 12 2HG PRO 12 -10.449 4.342 -5.662 81 2HG PRO 12 1HG PRO 12 -9.554 3.259 -4.569 82 1HD PRO 12 2HD PRO 12 -12.332 4.327 -4.317 83 2HD PRO 12 1HD PRO 12 -11.676 2.748 -3.829 84 H THR 13 H THR 13 -7.950 6.291 -1.490 85 HA THR 13 HA THR 13 -9.329 8.759 -0.984 86 HB THR 13 HB THR 13 -8.172 7.654 1.510 87 HG1 THR 13 1HG THR 13 -9.380 5.939 1.359 88 1HG2 THR 13 1HG2 THR 13 -9.852 8.881 2.596 89 2HG2 THR 13 2HG2 THR 13 -10.800 9.043 1.117 90 3HG2 THR 13 3HG2 THR 13 -9.274 9.912 1.285 91 H THR 14 H THR 14 -7.889 10.423 -0.117 92 HA THR 14 HA THR 14 -5.038 9.771 -0.463 93 HB THR 14 HB THR 14 -4.649 11.711 -1.748 94 HG1 THR 14 1HG THR 14 -5.923 13.420 -1.757 95 1HG2 THR 14 1HG2 THR 14 -5.786 9.953 -3.048 96 2HG2 THR 14 2HG2 THR 14 -6.086 11.580 -3.661 97 3HG2 THR 14 3HG2 THR 14 -7.325 10.750 -2.720 98 H LYS 15 H LYS 15 -3.923 10.199 1.314 99 HA LYS 15 HA LYS 15 -4.679 12.525 2.941 100 1HB LYS 15 2HB LYS 15 -5.190 9.934 3.729 101 2HB LYS 15 1HB LYS 15 -3.650 10.274 4.506 102 1HG LYS 15 2HG LYS 15 -5.283 10.874 6.072 103 2HG LYS 15 1HG LYS 15 -4.725 12.399 5.380 104 1HD LYS 15 2HD LYS 15 -6.673 12.682 4.130 105 2HD LYS 15 1HD LYS 15 -7.111 10.977 4.252 106 1HE LYS 15 2HE LYS 15 -8.555 11.790 5.798 107 2HE LYS 15 1HE LYS 15 -7.149 11.601 6.845 108 1HZ LYS 15 1HZ LYS 15 -8.208 13.772 7.099 109 2HZ LYS 15 2HZ LYS 15 -7.925 14.116 5.468 110 3HZ LYS 15 3HZ LYS 15 -6.622 13.923 6.528 111 H THR 16 H THR 16 -2.793 12.426 4.875 112 HA THR 16 HA THR 16 -0.211 12.226 3.491 113 HB THR 16 HB THR 16 -1.019 14.584 5.199 114 HG1 THR 16 1HG THR 16 -1.532 15.621 3.415 115 1HG2 THR 16 1HG2 THR 16 1.007 15.465 3.681 116 2HG2 THR 16 2HG2 THR 16 1.488 13.782 3.889 117 3HG2 THR 16 3HG2 THR 16 1.212 14.801 5.302 118 H CYS 17 H CYS 17 1.619 12.015 4.886 119 HA CYS 17 HA CYS 17 0.907 10.981 7.551 120 1HB CYS 17 2HB CYS 17 3.390 10.302 5.969 121 2HB CYS 17 1HB CYS 17 2.776 9.491 7.412 122 H SER 18 H SER 18 2.708 11.157 9.180 123 HA SER 18 HA SER 18 3.418 13.868 9.520 124 1HB SER 18 2HB SER 18 5.037 12.617 11.293 125 2HB SER 18 1HB SER 18 3.321 12.905 11.581 126 HG SER 18 HG SER 18 4.653 10.540 10.942 127 H GLY 19 H GLY 19 5.649 11.090 9.297 128 1HA GLY 19 2HA GLY 19 7.719 12.889 8.285 129 2HA GLY 19 1HA GLY 19 7.952 11.224 8.818 130 H GLU 20 H GLU 20 6.230 13.040 6.279 131 HA GLU 20 HA GLU 20 5.988 10.938 4.463 132 1HB GLU 20 2HB GLU 20 5.892 13.902 4.296 133 2HB GLU 20 1HB GLU 20 6.113 13.026 2.783 134 1HG GLU 20 2HG GLU 20 3.883 12.494 4.733 135 2HG GLU 20 1HG GLU 20 3.750 13.563 3.337 136 H THR 21 H THR 21 7.331 9.975 3.074 137 HA THR 21 HA THR 21 9.713 11.240 2.095 138 HB THR 21 HB THR 21 10.928 8.988 3.048 139 HG1 THR 21 1HG THR 21 10.358 8.900 5.267 140 1HG2 THR 21 1HG2 THR 21 11.035 11.796 3.633 141 2HG2 THR 21 2HG2 THR 21 12.325 10.593 3.641 142 3HG2 THR 21 3HG2 THR 21 11.341 10.840 5.083 143 H ASN 22 H ASN 22 8.238 8.060 2.631 144 HA ASN 22 HA ASN 22 8.071 7.623 -0.227 145 1HB ASN 22 2HB ASN 22 9.292 5.300 1.116 146 2HB ASN 22 1HB ASN 22 9.612 5.982 -0.480 147 1HD2 ASN 22 1HD2 ASN 22 10.844 5.460 2.538 148 2HD2 ASN 22 2HD2 ASN 22 12.139 6.615 2.515 149 H CYS 23 H CYS 23 6.652 5.918 -0.798 150 HA CYS 23 HA CYS 23 5.047 4.867 1.434 151 1HB CYS 23 2HB CYS 23 4.241 6.304 -1.014 152 2HB CYS 23 1HB CYS 23 3.293 4.863 -0.651 153 H TYR 24 H TYR 24 3.479 3.078 0.188 154 HA TYR 24 HA TYR 24 4.949 1.482 -1.687 155 1HB TYR 24 2HB TYR 24 5.206 -0.493 -0.246 156 2HB TYR 24 1HB TYR 24 6.150 0.875 0.344 157 HD1 TYR 24 1HD TYR 24 5.999 1.466 2.578 158 HD2 TYR 24 2HD TYR 24 2.839 -0.786 0.836 159 HE1 TYR 24 1HE TYR 24 4.945 1.250 4.788 160 HE2 TYR 24 2HE TYR 24 1.774 -1.006 3.041 161 HH TYR 24 HH TYR 24 1.748 0.044 5.189 162 H LYS 25 H LYS 25 3.856 -0.836 -1.697 163 HA LYS 25 HA LYS 25 1.030 -0.806 -1.124 164 1HB LYS 25 2HB LYS 25 1.414 0.407 -3.382 165 2HB LYS 25 1HB LYS 25 1.805 -1.195 -4.007 166 1HG LYS 25 2HG LYS 25 -0.468 -1.890 -3.010 167 2HG LYS 25 1HG LYS 25 -0.806 -0.158 -2.990 168 1HD LYS 25 2HD LYS 25 -0.714 0.014 -5.304 169 2HD LYS 25 1HD LYS 25 0.235 -1.463 -5.475 170 1HE LYS 25 2HE LYS 25 -2.251 -2.112 -4.240 171 2HE LYS 25 1HE LYS 25 -2.572 -1.137 -5.672 172 1HZ LYS 25 1HZ LYS 25 -0.840 -3.545 -5.660 173 2HZ LYS 25 2HZ LYS 25 -1.352 -2.668 -7.011 174 3HZ LYS 25 3HZ LYS 25 -2.472 -3.554 -6.106 175 H LYS 26 H LYS 26 0.535 -2.798 -0.486 176 HA LYS 26 HA LYS 26 2.146 -5.022 -1.551 177 1HB LYS 26 2HB LYS 26 1.458 -6.170 0.650 178 2HB LYS 26 1HB LYS 26 2.730 -4.971 0.685 179 1HG LYS 26 2HG LYS 26 0.269 -3.637 1.125 180 2HG LYS 26 1HG LYS 26 0.331 -5.051 2.177 181 1HD LYS 26 2HD LYS 26 2.725 -4.241 2.728 182 2HD LYS 26 1HD LYS 26 2.181 -2.700 2.061 183 1HE LYS 26 2HE LYS 26 0.535 -2.441 3.712 184 2HE LYS 26 1HE LYS 26 0.616 -4.139 4.179 185 1HZ LYS 26 1HZ LYS 26 3.128 -3.296 4.650 186 2HZ LYS 26 2HZ LYS 26 1.908 -3.383 5.819 187 3HZ LYS 26 3HZ LYS 26 2.233 -1.915 5.046 188 H TRP 27 H TRP 27 1.120 -7.062 -1.722 189 HA TRP 27 HA TRP 27 -1.724 -7.263 -1.464 190 1HB TRP 27 2HB TRP 27 -2.138 -7.783 -3.875 191 2HB TRP 27 1HB TRP 27 -1.774 -6.110 -3.552 192 HD1 TRP 27 HD TRP 27 -0.593 -9.058 -5.412 193 HE1 TRP 27 1HE TRP 27 1.390 -8.417 -6.903 194 HE3 TRP 27 3HE TRP 27 0.303 -4.380 -3.590 195 HZ2 TRP 27 2HZ TRP 27 3.120 -6.215 -7.271 196 HZ3 TRP 27 3HZ TRP 27 2.132 -3.069 -4.569 197 HH2 TRP 27 HH TRP 27 3.514 -3.964 -6.370 198 H TRP 28 H TRP 28 -2.554 -9.355 -2.199 199 HA TRP 28 HA TRP 28 -0.669 -11.476 -2.705 200 1HB TRP 28 2HB TRP 28 -1.282 -12.725 -0.609 201 2HB TRP 28 1HB TRP 28 -0.317 -11.279 -0.326 202 HD1 TRP 28 HD TRP 28 -3.777 -12.696 0.233 203 HE1 TRP 28 1HE TRP 28 -5.011 -11.171 1.862 204 HE3 TRP 28 3HE TRP 28 -0.430 -8.835 0.484 205 HZ2 TRP 28 2HZ TRP 28 -4.659 -8.676 3.120 206 HZ3 TRP 28 3HZ TRP 28 -0.961 -6.915 1.930 207 HH2 TRP 28 HH TRP 28 -3.035 -6.841 3.219 208 H SER 29 H SER 29 -2.014 -13.678 -2.196 209 HA SER 29 HA SER 29 -4.808 -13.370 -2.960 210 1HB SER 29 2HB SER 29 -2.708 -14.678 -4.676 211 2HB SER 29 1HB SER 29 -4.399 -15.190 -4.762 212 HG SER 29 HG SER 29 -3.614 -12.483 -5.023 213 H ASP 30 H ASP 30 -5.756 -14.469 -1.360 214 HA ASP 30 HA ASP 30 -4.859 -17.221 -0.869 215 1HB ASP 30 2HB ASP 30 -4.338 -15.241 0.915 216 2HB ASP 30 1HB ASP 30 -5.914 -15.790 1.489 217 H HIS 31 H HIS 31 -6.750 -17.798 1.133 218 HA HIS 31 HA HIS 31 -8.959 -18.575 -0.365 219 1HB HIS 31 2HB HIS 31 -10.060 -18.906 1.910 220 2HB HIS 31 1HB HIS 31 -8.536 -19.746 1.647 221 HD1 HIS 31 1HD HIS 31 -7.194 -19.691 3.711 222 HD2 HIS 31 2HD HIS 31 -9.294 -16.149 3.151 223 HE1 HIS 31 1HE HIS 31 -6.552 -18.216 5.644 224 HE2 HIS 31 2HE HIS 31 -7.760 -16.043 5.231 225 H ARG 32 H ARG 32 -8.282 -15.550 1.162 226 HA ARG 32 HA ARG 32 -11.062 -14.682 0.978 227 1HB ARG 32 2HB ARG 32 -8.637 -13.735 2.382 228 2HB ARG 32 1HB ARG 32 -9.732 -12.476 1.814 229 1HG ARG 32 2HG ARG 32 -11.513 -14.098 2.969 230 2HG ARG 32 1HG ARG 32 -10.093 -14.496 3.939 231 1HD ARG 32 2HD ARG 32 -11.042 -11.681 3.437 232 2HD ARG 32 1HD ARG 32 -11.517 -12.635 4.841 233 HE ARG 32 HE ARG 32 -8.815 -12.742 4.904 234 1HH1 ARG 32 1HH1 ARG 32 -11.096 -10.111 4.689 235 2HH1 ARG 32 2HH1 ARG 32 -10.068 -8.987 5.513 236 1HH2 ARG 32 1HH2 ARG 32 -7.462 -11.265 5.989 237 2HH2 ARG 32 2HH2 ARG 32 -8.004 -9.642 6.250 238 H GLY 33 H GLY 33 -9.185 -15.201 -1.372 239 1HA GLY 33 2HA GLY 33 -9.091 -14.320 -3.502 240 2HA GLY 33 1HA GLY 33 -10.069 -12.968 -2.936 241 H THR 34 H THR 34 -8.596 -11.767 -4.388 242 HA THR 34 HA THR 34 -5.881 -11.396 -3.431 243 HB THR 34 HB THR 34 -7.269 -9.873 -5.636 244 HG1 THR 34 1HG THR 34 -5.875 -12.338 -5.781 245 1HG2 THR 34 1HG2 THR 34 -5.299 -9.004 -6.162 246 2HG2 THR 34 2HG2 THR 34 -4.480 -10.557 -5.997 247 3HG2 THR 34 3HG2 THR 34 -4.751 -9.547 -4.577 248 H ILE 35 H ILE 35 -5.150 -9.718 -2.254 249 HA ILE 35 HA ILE 35 -6.996 -7.480 -1.739 250 HB ILE 35 HB ILE 35 -5.240 -8.721 0.378 251 1HG1 ILE 35 2HG1 ILE 35 -8.223 -9.037 -0.038 252 2HG1 ILE 35 1HG1 ILE 35 -7.015 -10.290 -0.309 253 1HG2 ILE 35 1HG2 ILE 35 -7.060 -7.371 1.750 254 2HG2 ILE 35 2HG2 ILE 35 -7.115 -6.423 0.265 255 3HG2 ILE 35 3HG2 ILE 35 -5.595 -6.604 1.140 256 1HD1 ILE 35 1HD1 ILE 35 -7.234 -10.914 1.796 257 2HD1 ILE 35 2HD1 ILE 35 -8.375 -9.601 2.087 258 3HD1 ILE 35 3HD1 ILE 35 -6.647 -9.336 2.317 259 H ILE 36 H ILE 36 -5.999 -5.480 -1.180 260 HA ILE 36 HA ILE 36 -3.101 -5.309 -1.565 261 HB ILE 36 HB ILE 36 -3.337 -3.414 -3.113 262 1HG1 ILE 36 2HG1 ILE 36 -6.282 -4.108 -3.006 263 2HG1 ILE 36 1HG1 ILE 36 -5.534 -2.605 -2.476 264 1HG2 ILE 36 1HG2 ILE 36 -3.128 -4.881 -4.764 265 2HG2 ILE 36 2HG2 ILE 36 -4.855 -5.235 -4.722 266 3HG2 ILE 36 3HG2 ILE 36 -3.745 -6.134 -3.689 267 1HD1 ILE 36 1HD1 ILE 36 -4.730 -2.612 -5.024 268 2HD1 ILE 36 2HD1 ILE 36 -6.254 -1.904 -4.488 269 3HD1 ILE 36 3HD1 ILE 36 -6.231 -3.524 -5.185 270 H GLU 37 H GLU 37 -2.178 -3.954 -0.096 271 HA GLU 37 HA GLU 37 -3.879 -1.875 1.099 272 1HB GLU 37 2HB GLU 37 -2.132 -2.451 3.115 273 2HB GLU 37 1HB GLU 37 -3.788 -3.046 3.010 274 1HG GLU 37 2HG GLU 37 -3.115 -5.132 2.265 275 2HG GLU 37 1HG GLU 37 -1.526 -4.556 1.768 276 H ARG 38 H ARG 38 -2.426 -0.284 2.402 277 HA ARG 38 HA ARG 38 0.150 0.155 1.092 278 1HB ARG 38 2HB ARG 38 -2.122 2.144 1.108 279 2HB ARG 38 1HB ARG 38 -0.457 2.575 0.746 280 1HG ARG 38 2HG ARG 38 -0.521 1.661 -1.310 281 2HG ARG 38 1HG ARG 38 -1.585 0.344 -0.814 282 1HD ARG 38 2HD ARG 38 -3.440 2.029 -0.675 283 2HD ARG 38 1HD ARG 38 -2.347 3.194 -1.421 284 HE ARG 38 HE ARG 38 -2.787 2.218 -3.430 285 1HH1 ARG 38 1HH1 ARG 38 -3.526 -0.087 -0.916 286 2HH1 ARG 38 2HH1 ARG 38 -4.164 -1.264 -2.011 287 1HH2 ARG 38 1HH2 ARG 38 -3.630 0.671 -4.871 288 2HH2 ARG 38 2HH2 ARG 38 -4.224 -0.836 -4.257 289 H GLY 39 H GLY 39 0.995 2.434 2.074 290 1HA GLY 39 2HA GLY 39 0.294 2.899 4.812 291 2HA GLY 39 1HA GLY 39 1.777 1.969 4.663 292 H CYS 40 H CYS 40 3.402 3.317 5.118 293 HA CYS 40 HA CYS 40 3.904 5.547 3.379 294 1HB CYS 40 2HB CYS 40 2.480 6.069 5.752 295 2HB CYS 40 1HB CYS 40 4.132 6.612 6.056 296 H GLY 41 H GLY 41 5.640 3.962 3.049 297 1HA GLY 41 2HA GLY 41 8.074 4.758 4.043 298 2HA GLY 41 1HA GLY 41 7.551 3.463 5.120 299 H CYS 42 H CYS 42 8.983 1.889 4.558 300 HA CYS 42 HA CYS 42 8.495 0.527 2.079 301 1HB CYS 42 2HB CYS 42 10.110 2.228 1.333 302 2HB CYS 42 1HB CYS 42 11.251 1.682 2.565 303 HA PRO 43 HA PRO 43 9.914 -2.114 5.625 304 1HB PRO 43 2HB PRO 43 7.679 -3.553 5.964 305 2HB PRO 43 1HB PRO 43 7.850 -1.934 6.662 306 1HG PRO 43 2HG PRO 43 6.401 -2.789 4.184 307 2HG PRO 43 1HG PRO 43 5.899 -1.633 5.436 308 1HD PRO 43 2HD PRO 43 7.002 -0.915 3.018 309 2HD PRO 43 1HD PRO 43 7.076 0.084 4.488 310 H LYS 44 H LYS 44 9.727 -4.622 5.727 311 HA LYS 44 HA LYS 44 10.534 -5.616 3.134 312 1HB LYS 44 2HB LYS 44 11.366 -6.154 5.677 313 2HB LYS 44 1HB LYS 44 10.321 -7.533 5.360 314 1HG LYS 44 2HG LYS 44 11.703 -7.596 3.104 315 2HG LYS 44 1HG LYS 44 12.897 -6.772 4.108 316 1HD LYS 44 2HD LYS 44 12.985 -8.571 5.644 317 2HD LYS 44 1HD LYS 44 11.539 -9.319 4.960 318 1HE LYS 44 2HE LYS 44 13.130 -9.235 2.780 319 2HE LYS 44 1HE LYS 44 14.341 -9.412 4.048 320 1HZ LYS 44 1HZ LYS 44 12.259 -11.278 3.190 321 2HZ LYS 44 2HZ LYS 44 12.674 -11.271 4.830 322 3HZ LYS 44 3HZ LYS 44 13.857 -11.582 3.660 323 H VAL 45 H VAL 45 9.754 -7.830 2.453 324 HA VAL 45 HA VAL 45 6.860 -7.769 2.355 325 HB VAL 45 HB VAL 45 7.091 -9.646 0.755 326 1HG1 VAL 45 1HG1 VAL 45 8.191 -6.965 0.428 327 2HG1 VAL 45 2HG1 VAL 45 7.073 -7.864 -0.595 328 3HG1 VAL 45 3HG1 VAL 45 8.810 -8.121 -0.750 329 1HG2 VAL 45 1HG2 VAL 45 9.441 -10.181 1.964 330 2HG2 VAL 45 2HG2 VAL 45 10.010 -9.299 0.547 331 3HG2 VAL 45 3HG2 VAL 45 9.020 -10.744 0.346 332 H LYS 46 H LYS 46 5.500 -9.489 2.947 333 HA LYS 46 HA LYS 46 6.564 -11.150 5.061 334 1HB LYS 46 2HB LYS 46 3.892 -9.981 4.491 335 2HB LYS 46 1HB LYS 46 3.958 -11.487 5.394 336 1HG LYS 46 2HG LYS 46 5.746 -9.327 6.314 337 2HG LYS 46 1HG LYS 46 4.015 -9.077 6.545 338 1HD LYS 46 2HD LYS 46 5.431 -11.592 7.398 339 2HD LYS 46 1HD LYS 46 5.248 -10.191 8.455 340 1HE LYS 46 2HE LYS 46 2.932 -11.573 7.116 341 2HE LYS 46 1HE LYS 46 3.513 -11.999 8.725 342 1HZ LYS 46 1HZ LYS 46 2.962 -9.181 8.258 343 2HZ LYS 46 2HZ LYS 46 2.662 -10.132 9.625 344 3HZ LYS 46 3HZ LYS 46 1.614 -10.205 8.298 345 HA PRO 47 HA PRO 47 6.616 -14.957 2.830 346 1HB PRO 47 2HB PRO 47 4.851 -15.997 4.961 347 2HB PRO 47 1HB PRO 47 6.413 -16.581 4.407 348 1HG PRO 47 2HG PRO 47 5.921 -15.084 6.693 349 2HG PRO 47 1HG PRO 47 7.497 -15.437 5.981 350 1HD PRO 47 2HD PRO 47 6.217 -12.923 6.165 351 2HD PRO 47 1HD PRO 47 7.715 -13.318 5.299 352 H GLY 48 H GLY 48 5.434 -15.236 1.045 353 1HA GLY 48 2HA GLY 48 3.624 -15.767 -0.281 354 2HA GLY 48 1HA GLY 48 2.672 -15.968 1.186 355 H VAL 49 H VAL 49 4.244 -12.951 0.977 356 HA VAL 49 HA VAL 49 1.834 -11.693 -0.150 357 HB VAL 49 HB VAL 49 3.361 -10.715 2.266 358 1HG1 VAL 49 1HG1 VAL 49 0.960 -9.367 2.152 359 2HG1 VAL 49 2HG1 VAL 49 1.467 -9.437 0.463 360 3HG1 VAL 49 3HG1 VAL 49 2.533 -8.726 1.674 361 1HG2 VAL 49 1HG2 VAL 49 0.591 -11.892 2.076 362 2HG2 VAL 49 2HG2 VAL 49 1.343 -11.242 3.533 363 3HG2 VAL 49 3HG2 VAL 49 2.005 -12.686 2.767 364 H ASN 50 H ASN 50 2.206 -10.115 -1.606 365 HA ASN 50 HA ASN 50 4.990 -9.492 -2.233 366 1HB ASN 50 2HB ASN 50 2.661 -8.525 -3.857 367 2HB ASN 50 1HB ASN 50 4.297 -8.923 -4.383 368 1HD2 ASN 50 1HD2 ASN 50 1.120 -10.005 -4.054 369 2HD2 ASN 50 2HD2 ASN 50 1.377 -11.664 -4.499 370 H LEU 51 H LEU 51 5.710 -7.338 -2.558 371 HA LEU 51 HA LEU 51 4.068 -5.117 -1.784 372 1HB LEU 51 2HB LEU 51 4.562 -5.842 0.419 373 2HB LEU 51 1HB LEU 51 6.239 -6.157 0.019 374 HG LEU 51 HG LEU 51 6.389 -3.599 -0.383 375 1HD1 LEU 51 1HD1 LEU 51 4.800 -2.224 0.554 376 2HD1 LEU 51 2HD1 LEU 51 4.161 -3.493 1.597 377 3HD1 LEU 51 3HD1 LEU 51 3.802 -3.507 -0.129 378 1HD2 LEU 51 1HD2 LEU 51 7.138 -5.180 1.624 379 2HD2 LEU 51 2HD2 LEU 51 5.978 -4.174 2.491 380 3HD2 LEU 51 3HD2 LEU 51 7.347 -3.429 1.665 381 H ASN 52 H ASN 52 5.013 -3.108 -2.302 382 HA ASN 52 HA ASN 52 7.741 -3.035 -3.272 383 1HB ASN 52 2HB ASN 52 7.335 -2.578 -5.521 384 2HB ASN 52 1HB ASN 52 6.174 -3.851 -5.168 385 1HD2 ASN 52 1HD2 ASN 52 4.121 -2.612 -4.010 386 2HD2 ASN 52 2HD2 ASN 52 3.435 -1.425 -5.061 387 H CYS 53 H CYS 53 8.639 -1.157 -2.746 388 HA CYS 53 HA CYS 53 6.983 0.998 -1.755 389 1HB CYS 53 2HB CYS 53 9.959 1.195 -1.960 390 2HB CYS 53 1HB CYS 53 8.876 1.797 -0.710 391 H CYS 54 H CYS 54 7.264 3.201 -2.426 392 HA CYS 54 HA CYS 54 8.634 3.842 -4.857 393 1HB CYS 54 2HB CYS 54 6.395 4.696 -5.895 394 2HB CYS 54 1HB CYS 54 6.860 3.007 -6.096 395 H ARG 55 H ARG 55 8.611 6.000 -5.372 396 HA ARG 55 HA ARG 55 7.830 7.724 -3.137 397 1HB ARG 55 2HB ARG 55 9.955 8.805 -4.721 398 2HB ARG 55 1HB ARG 55 9.941 8.386 -3.017 399 1HG ARG 55 2HG ARG 55 10.545 6.095 -3.571 400 2HG ARG 55 1HG ARG 55 10.554 6.513 -5.288 401 1HD ARG 55 2HD ARG 55 12.341 7.681 -3.155 402 2HD ARG 55 1HD ARG 55 12.814 6.495 -4.373 403 HE ARG 55 HE ARG 55 11.730 8.750 -5.640 404 1HH1 ARG 55 1HH1 ARG 55 14.565 7.781 -3.851 405 2HH1 ARG 55 2HH1 ARG 55 15.602 8.933 -4.625 406 1HH2 ARG 55 1HH2 ARG 55 13.095 10.266 -6.662 407 2HH2 ARG 55 2HH2 ARG 55 14.767 10.343 -6.220 408 H THR 56 H THR 56 6.076 7.221 -5.300 409 HA THR 56 HA THR 56 6.065 9.867 -6.594 410 HB THR 56 HB THR 56 4.745 7.569 -7.954 411 HG1 THR 56 1HG THR 56 6.625 6.567 -7.772 412 1HG2 THR 56 1HG2 THR 56 5.577 10.226 -8.639 413 2HG2 THR 56 2HG2 THR 56 4.550 9.103 -9.531 414 3HG2 THR 56 3HG2 THR 56 6.302 9.045 -9.730 415 H ASP 57 H ASP 57 4.021 10.822 -6.945 416 HA ASP 57 HA ASP 57 2.150 10.417 -4.882 417 1HB ASP 57 2HB ASP 57 2.371 12.143 -7.267 418 2HB ASP 57 1HB ASP 57 0.721 11.825 -6.724 419 H ARG 58 H ARG 58 0.521 9.028 -4.685 420 HA ARG 58 HA ARG 58 -1.011 7.415 -5.149 421 1HB ARG 58 2HB ARG 58 -1.036 8.755 -7.860 422 2HB ARG 58 1HB ARG 58 -2.225 7.578 -7.301 423 1HG ARG 58 2HG ARG 58 -2.884 9.104 -5.507 424 2HG ARG 58 1HG ARG 58 -1.700 10.281 -6.077 425 1HD ARG 58 2HD ARG 58 -2.895 10.223 -8.300 426 2HD ARG 58 1HD ARG 58 -4.165 9.298 -7.498 427 HE ARG 58 HE ARG 58 -4.910 11.233 -6.542 428 1HH1 ARG 58 1HH1 ARG 58 -1.648 11.741 -7.675 429 2HH1 ARG 58 2HH1 ARG 58 -1.661 13.438 -7.333 430 1HH2 ARG 58 1HH2 ARG 58 -4.928 13.465 -6.091 431 2HH2 ARG 58 2HH2 ARG 58 -3.522 14.417 -6.433 432 H CYS 59 H CYS 59 1.864 6.958 -5.662 433 HA CYS 59 HA CYS 59 2.244 5.398 -7.964 434 1HB CYS 59 2HB CYS 59 4.297 4.702 -6.952 435 2HB CYS 59 1HB CYS 59 4.039 6.391 -6.523 436 H ASN 60 H ASN 60 0.617 4.728 -5.018 437 HA ASN 60 HA ASN 60 0.743 1.831 -5.465 438 1HB ASN 60 2HB ASN 60 -0.475 1.773 -3.227 439 2HB ASN 60 1HB ASN 60 1.192 2.356 -3.202 440 1HD2 ASN 60 1HD2 ASN 60 0.584 3.315 -1.167 441 2HD2 ASN 60 2HD2 ASN 60 -0.226 4.851 -1.156 442 H ASN 61 H ASN 61 -0.922 3.998 -6.932 443 HA ASN 61 HA ASN 61 -3.625 3.622 -6.347 444 1HB ASN 61 2HB ASN 61 -4.067 4.640 -8.451 445 2HB ASN 61 1HB ASN 61 -2.599 5.388 -7.839 446 1HD2 ASN 61 1HD2 ASN 61 -0.587 4.762 -8.745 447 2HD2 ASN 61 2HD2 ASN 61 -0.509 4.116 -10.355 Start of MODEL 4 1 1H LEU 1 1HT LEU 1 4.843 13.983 1.316 2 2H LEU 1 2HT LEU 1 3.551 13.280 2.202 3 3H LEU 1 3HT LEU 1 3.365 14.833 1.495 4 HA LEU 1 HA LEU 1 3.327 14.001 -0.632 5 1HB LEU 1 2HB LEU 1 5.133 12.198 0.351 6 2HB LEU 1 1HB LEU 1 3.727 11.179 0.103 7 HG LEU 1 HG LEU 1 4.803 12.959 -2.073 8 1HD1 LEU 1 1HD1 LEU 1 5.705 10.242 -1.209 9 2HD1 LEU 1 2HD1 LEU 1 6.666 11.638 -1.696 10 3HD1 LEU 1 3HD1 LEU 1 5.776 10.713 -2.906 11 1HD2 LEU 1 1HD2 LEU 1 2.642 12.250 -2.609 12 2HD2 LEU 1 2HD2 LEU 1 2.901 10.643 -1.929 13 3HD2 LEU 1 3HD2 LEU 1 3.691 11.100 -3.438 14 H GLU 2 H GLU 2 1.389 13.416 -1.500 15 HA GLU 2 HA GLU 2 -0.662 12.556 0.386 16 1HB GLU 2 2HB GLU 2 -0.594 14.341 -1.816 17 2HB GLU 2 1HB GLU 2 -1.704 13.045 -2.240 18 1HG GLU 2 2HG GLU 2 -3.196 13.597 -0.617 19 2HG GLU 2 1HG GLU 2 -1.960 14.258 0.452 20 H CYS 3 H CYS 3 0.235 10.354 0.446 21 HA CYS 3 HA CYS 3 0.046 8.722 -1.907 22 1HB CYS 3 2HB CYS 3 0.484 7.987 0.995 23 2HB CYS 3 1HB CYS 3 0.655 6.892 -0.374 24 H HIS 4 H HIS 4 -1.054 6.391 -1.143 25 HA HIS 4 HA HIS 4 -3.868 7.105 -0.651 26 1HB HIS 4 2HB HIS 4 -2.593 4.983 -2.362 27 2HB HIS 4 1HB HIS 4 -4.270 4.837 -1.831 28 HD1 HIS 4 1HD HIS 4 -5.462 7.494 -2.286 29 HD2 HIS 4 2HD HIS 4 -2.643 5.906 -4.892 30 HE1 HIS 4 1HE HIS 4 -5.810 8.697 -4.465 31 HE2 HIS 4 2HE HIS 4 -4.187 7.621 -6.062 32 H ASN 5 H ASN 5 -5.190 5.452 0.416 33 HA ASN 5 HA ASN 5 -3.889 3.408 1.964 34 1HB ASN 5 2HB ASN 5 -4.515 4.316 4.167 35 2HB ASN 5 1HB ASN 5 -3.367 5.370 3.337 36 1HD2 ASN 5 1HD2 ASN 5 -6.249 5.224 4.993 37 2HD2 ASN 5 2HD2 ASN 5 -6.882 6.783 4.566 38 H GLN 6 H GLN 6 -5.560 2.515 0.407 39 HA GLN 6 HA GLN 6 -8.164 2.376 1.777 40 1HB GLN 6 2HB GLN 6 -9.164 2.014 -0.509 41 2HB GLN 6 1HB GLN 6 -8.557 3.637 -0.202 42 1HG GLN 6 2HG GLN 6 -7.057 3.508 -1.842 43 2HG GLN 6 1HG GLN 6 -6.559 1.881 -1.380 44 1HE2 GLN 6 1HE2 GLN 6 -6.502 2.075 -3.897 45 2HE2 GLN 6 2HE2 GLN 6 -7.909 1.446 -4.697 46 H GLN 7 H GLN 7 -8.226 0.420 2.700 47 HA GLN 7 HA GLN 7 -6.921 -1.857 1.499 48 1HB GLN 7 2HB GLN 7 -7.991 -3.036 3.508 49 2HB GLN 7 1HB GLN 7 -6.749 -1.840 3.839 50 1HG GLN 7 2HG GLN 7 -8.325 -0.259 4.571 51 2HG GLN 7 1HG GLN 7 -9.673 -1.172 3.896 52 1HE2 GLN 7 1HE2 GLN 7 -10.509 -0.838 6.100 53 2HE2 GLN 7 2HE2 GLN 7 -10.081 -1.994 7.323 54 H SER 8 H SER 8 -8.004 -2.334 -0.386 55 HA SER 8 HA SER 8 -9.562 -3.369 -1.689 56 1HB SER 8 2HB SER 8 -11.130 -3.966 0.827 57 2HB SER 8 1HB SER 8 -11.167 -4.842 -0.709 58 HG SER 8 HG SER 8 -8.914 -5.351 -0.282 59 H SER 9 H SER 9 -11.860 -3.146 -2.422 60 HA SER 9 HA SER 9 -13.753 -1.943 -2.841 61 1HB SER 9 2HB SER 9 -13.146 -0.106 -0.532 62 2HB SER 9 1HB SER 9 -14.713 -0.533 -1.218 63 HG SER 9 HG SER 9 -14.772 -2.238 0.012 64 H GLN 10 H GLN 10 -13.445 -0.915 -4.681 65 HA GLN 10 HA GLN 10 -11.419 0.733 -5.451 66 1HB GLN 10 2HB GLN 10 -14.254 1.151 -6.382 67 2HB GLN 10 1HB GLN 10 -12.764 1.401 -7.286 68 1HG GLN 10 2HG GLN 10 -13.191 -0.592 -8.169 69 2HG GLN 10 1HG GLN 10 -12.582 -1.237 -6.641 70 1HE2 GLN 10 1HE2 GLN 10 -15.229 -0.989 -8.734 71 2HE2 GLN 10 2HE2 GLN 10 -16.413 -1.755 -7.722 72 H ALA 11 H ALA 11 -11.781 3.118 -6.186 73 HA ALA 11 HA ALA 11 -12.152 5.320 -5.683 74 1HB ALA 11 1HB ALA 11 -14.417 4.254 -4.746 75 2HB ALA 11 2HB ALA 11 -13.997 5.953 -4.523 76 3HB ALA 11 3HB ALA 11 -13.713 4.796 -3.223 77 HA PRO 12 HA PRO 12 -8.602 4.386 -2.709 78 1HB PRO 12 2HB PRO 12 -7.729 6.641 -4.481 79 2HB PRO 12 1HB PRO 12 -6.772 5.320 -3.794 80 1HG PRO 12 2HG PRO 12 -7.535 5.153 -6.303 81 2HG PRO 12 1HG PRO 12 -7.696 3.734 -5.241 82 1HD PRO 12 2HD PRO 12 -9.806 5.625 -6.207 83 2HD PRO 12 1HD PRO 12 -9.889 3.863 -5.971 84 H THR 13 H THR 13 -7.503 5.935 -1.254 85 HA THR 13 HA THR 13 -9.097 8.348 -0.721 86 HB THR 13 HB THR 13 -7.998 6.582 1.462 87 HG1 THR 13 1HG THR 13 -9.551 5.273 0.976 88 1HG2 THR 13 1HG2 THR 13 -9.947 7.712 2.695 89 2HG2 THR 13 2HG2 THR 13 -9.876 8.902 1.395 90 3HG2 THR 13 3HG2 THR 13 -8.467 8.633 2.421 91 H THR 14 H THR 14 -7.898 10.128 -0.594 92 HA THR 14 HA THR 14 -5.025 9.938 -0.671 93 HB THR 14 HB THR 14 -5.036 12.292 -1.074 94 HG1 THR 14 1HG THR 14 -6.969 13.505 -0.808 95 1HG2 THR 14 1HG2 THR 14 -7.025 10.673 -2.485 96 2HG2 THR 14 2HG2 THR 14 -5.721 11.682 -3.111 97 3HG2 THR 14 3HG2 THR 14 -7.249 12.416 -2.623 98 H LYS 15 H LYS 15 -3.576 10.485 0.890 99 HA LYS 15 HA LYS 15 -4.636 11.385 3.481 100 1HB LYS 15 2HB LYS 15 -3.816 8.818 3.045 101 2HB LYS 15 1HB LYS 15 -2.327 9.561 3.615 102 1HG LYS 15 2HG LYS 15 -3.938 10.501 5.488 103 2HG LYS 15 1HG LYS 15 -4.879 9.075 5.046 104 1HD LYS 15 2HD LYS 15 -2.354 8.051 5.220 105 2HD LYS 15 1HD LYS 15 -2.330 9.287 6.479 106 1HE LYS 15 2HE LYS 15 -4.739 7.595 6.406 107 2HE LYS 15 1HE LYS 15 -3.244 6.766 6.837 108 1HZ LYS 15 1HZ LYS 15 -2.937 8.707 8.460 109 2HZ LYS 15 2HZ LYS 15 -4.060 7.505 8.856 110 3HZ LYS 15 3HZ LYS 15 -4.591 8.985 8.235 111 H THR 16 H THR 16 -2.290 11.518 4.896 112 HA THR 16 HA THR 16 -0.353 13.016 3.335 113 HB THR 16 HB THR 16 -0.888 14.646 5.607 114 HG1 THR 16 1HG THR 16 -3.026 15.231 5.187 115 1HG2 THR 16 1HG2 THR 16 -0.131 15.962 3.968 116 2HG2 THR 16 2HG2 THR 16 -1.835 16.098 3.537 117 3HG2 THR 16 3HG2 THR 16 -0.802 14.942 2.695 118 H CYS 17 H CYS 17 1.648 12.701 4.079 119 HA CYS 17 HA CYS 17 1.960 11.666 6.821 120 1HB CYS 17 2HB CYS 17 2.944 10.649 4.245 121 2HB CYS 17 1HB CYS 17 4.182 10.749 5.499 122 H SER 18 H SER 18 2.288 13.849 7.529 123 HA SER 18 HA SER 18 4.420 15.436 6.485 124 1HB SER 18 2HB SER 18 3.956 16.535 8.918 125 2HB SER 18 1HB SER 18 2.968 16.865 7.495 126 HG SER 18 HG SER 18 2.436 15.180 9.681 127 H GLY 19 H GLY 19 5.875 13.411 6.682 128 1HA GLY 19 2HA GLY 19 7.863 13.943 8.584 129 2HA GLY 19 1HA GLY 19 6.881 12.611 9.190 130 H GLU 20 H GLU 20 6.313 11.261 6.845 131 HA GLU 20 HA GLU 20 8.837 9.949 6.382 132 1HB GLU 20 2HB GLU 20 5.981 9.401 5.715 133 2HB GLU 20 1HB GLU 20 7.225 8.611 4.746 134 1HG GLU 20 2HG GLU 20 7.121 8.476 7.749 135 2HG GLU 20 1HG GLU 20 6.363 7.289 6.688 136 H THR 21 H THR 21 8.964 9.116 3.898 137 HA THR 21 HA THR 21 8.751 11.474 2.163 138 HB THR 21 HB THR 21 11.143 9.676 1.991 139 HG1 THR 21 1HG THR 21 10.945 11.971 3.645 140 1HG2 THR 21 1HG2 THR 21 10.564 12.508 1.199 141 2HG2 THR 21 2HG2 THR 21 11.045 11.153 0.177 142 3HG2 THR 21 3HG2 THR 21 12.203 11.867 1.300 143 H ASN 22 H ASN 22 9.675 8.047 2.112 144 HA ASN 22 HA ASN 22 8.446 7.755 -0.521 145 1HB ASN 22 2HB ASN 22 9.693 5.434 0.875 146 2HB ASN 22 1HB ASN 22 9.737 5.879 -0.832 147 1HD2 ASN 22 1HD2 ASN 22 11.803 5.182 1.263 148 2HD2 ASN 22 2HD2 ASN 22 12.986 6.444 1.120 149 H CYS 23 H CYS 23 6.954 6.022 -0.956 150 HA CYS 23 HA CYS 23 5.409 5.157 1.392 151 1HB CYS 23 2HB CYS 23 4.547 6.515 -1.100 152 2HB CYS 23 1HB CYS 23 3.518 5.206 -0.525 153 H TYR 24 H TYR 24 3.672 3.408 0.274 154 HA TYR 24 HA TYR 24 4.987 1.687 -1.615 155 1HB TYR 24 2HB TYR 24 5.186 -0.259 -0.124 156 2HB TYR 24 1HB TYR 24 6.227 1.069 0.384 157 HD1 TYR 24 1HD TYR 24 6.216 1.701 2.609 158 HD2 TYR 24 2HD TYR 24 2.832 -0.359 1.056 159 HE1 TYR 24 1HE TYR 24 5.245 1.616 4.864 160 HE2 TYR 24 2HE TYR 24 1.850 -0.442 3.308 161 HH TYR 24 HH TYR 24 1.995 0.386 5.425 162 H LYS 25 H LYS 25 3.808 -0.531 -1.615 163 HA LYS 25 HA LYS 25 1.002 -0.403 -0.930 164 1HB LYS 25 2HB LYS 25 1.437 0.725 -3.259 165 2HB LYS 25 1HB LYS 25 1.625 -0.937 -3.816 166 1HG LYS 25 2HG LYS 25 -0.641 -1.388 -2.775 167 2HG LYS 25 1HG LYS 25 -0.808 0.363 -2.638 168 1HD LYS 25 2HD LYS 25 -1.749 0.120 -4.687 169 2HD LYS 25 1HD LYS 25 -0.064 0.200 -5.205 170 1HE LYS 25 2HE LYS 25 -0.030 -1.955 -5.842 171 2HE LYS 25 1HE LYS 25 -0.980 -2.482 -4.453 172 1HZ LYS 25 1HZ LYS 25 -2.353 -0.950 -6.529 173 2HZ LYS 25 2HZ LYS 25 -2.924 -2.216 -5.565 174 3HZ LYS 25 3HZ LYS 25 -1.931 -2.548 -6.893 175 H LYS 26 H LYS 26 0.429 -2.373 -0.266 176 HA LYS 26 HA LYS 26 1.959 -4.668 -1.304 177 1HB LYS 26 2HB LYS 26 1.288 -5.723 0.954 178 2HB LYS 26 1HB LYS 26 2.605 -4.573 0.913 179 1HG LYS 26 2HG LYS 26 0.045 -3.294 1.378 180 2HG LYS 26 1HG LYS 26 0.427 -4.514 2.594 181 1HD LYS 26 2HD LYS 26 2.808 -3.216 2.358 182 2HD LYS 26 1HD LYS 26 1.661 -1.904 2.081 183 1HE LYS 26 2HE LYS 26 1.343 -3.788 4.393 184 2HE LYS 26 1HE LYS 26 2.416 -2.394 4.496 185 1HZ LYS 26 1HZ LYS 26 -0.285 -2.420 4.970 186 2HZ LYS 26 2HZ LYS 26 -0.137 -1.670 3.461 187 3HZ LYS 26 3HZ LYS 26 0.692 -1.051 4.799 188 H TRP 27 H TRP 27 0.879 -6.686 -1.388 189 HA TRP 27 HA TRP 27 -1.959 -6.827 -1.048 190 1HB TRP 27 2HB TRP 27 -2.438 -7.434 -3.432 191 2HB TRP 27 1HB TRP 27 -2.067 -5.752 -3.174 192 HD1 TRP 27 HD TRP 27 -0.968 -8.748 -4.997 193 HE1 TRP 27 1HE TRP 27 0.984 -8.167 -6.550 194 HE3 TRP 27 3HE TRP 27 0.051 -4.055 -3.287 195 HZ2 TRP 27 2HZ TRP 27 2.741 -6.003 -7.005 196 HZ3 TRP 27 3HZ TRP 27 1.877 -2.793 -4.336 197 HH2 TRP 27 HH TRP 27 3.195 -3.744 -6.156 198 H TRP 28 H TRP 28 -2.832 -8.942 -1.675 199 HA TRP 28 HA TRP 28 -0.977 -11.087 -2.187 200 1HB TRP 28 2HB TRP 28 -1.508 -12.271 -0.036 201 2HB TRP 28 1HB TRP 28 -0.529 -10.819 0.166 202 HD1 TRP 28 HD TRP 28 -3.979 -12.198 0.882 203 HE1 TRP 28 1HE TRP 28 -5.133 -10.639 2.535 204 HE3 TRP 28 3HE TRP 28 -0.585 -8.372 0.952 205 HZ2 TRP 28 2HZ TRP 28 -4.706 -8.133 3.748 206 HZ3 TRP 28 3HZ TRP 28 -1.037 -6.430 2.395 207 HH2 TRP 28 HH TRP 28 -3.058 -6.316 3.763 208 H SER 29 H SER 29 -2.264 -13.271 -1.639 209 HA SER 29 HA SER 29 -5.072 -12.948 -2.433 210 1HB SER 29 2HB SER 29 -3.215 -14.978 -3.695 211 2HB SER 29 1HB SER 29 -4.895 -14.646 -4.134 212 HG SER 29 HG SER 29 -2.802 -12.738 -4.310 213 H ASP 30 H ASP 30 -5.511 -13.436 -0.212 214 HA ASP 30 HA ASP 30 -4.730 -16.036 0.806 215 1HB ASP 30 2HB ASP 30 -6.044 -15.332 2.822 216 2HB ASP 30 1HB ASP 30 -4.736 -14.227 2.390 217 H HIS 31 H HIS 31 -6.746 -17.060 2.137 218 HA HIS 31 HA HIS 31 -8.320 -18.349 0.233 219 1HB HIS 31 2HB HIS 31 -9.705 -19.072 2.226 220 2HB HIS 31 1HB HIS 31 -7.982 -19.416 2.335 221 HD1 HIS 31 1HD HIS 31 -10.700 -17.459 3.928 222 HD2 HIS 31 2HD HIS 31 -6.574 -17.844 4.234 223 HE1 HIS 31 1HE HIS 31 -10.078 -16.327 6.086 224 HE2 HIS 31 2HE HIS 31 -7.589 -16.656 6.296 225 H ARG 32 H ARG 32 -9.153 -15.678 2.422 226 HA ARG 32 HA ARG 32 -11.838 -15.420 1.672 227 1HB ARG 32 2HB ARG 32 -9.832 -13.712 3.027 228 2HB ARG 32 1HB ARG 32 -11.216 -12.874 2.325 229 1HG ARG 32 2HG ARG 32 -12.671 -14.518 3.587 230 2HG ARG 32 1HG ARG 32 -11.209 -14.995 4.452 231 1HD ARG 32 2HD ARG 32 -11.633 -12.102 4.325 232 2HD ARG 32 1HD ARG 32 -12.897 -12.974 5.189 233 HE ARG 32 HE ARG 32 -10.572 -13.975 6.203 234 1HH1 ARG 32 1HH1 ARG 32 -11.930 -10.776 5.880 235 2HH1 ARG 32 2HH1 ARG 32 -11.138 -10.162 7.293 236 1HH2 ARG 32 1HH2 ARG 32 -9.531 -13.168 8.061 237 2HH2 ARG 32 2HH2 ARG 32 -9.777 -11.520 8.531 238 H GLY 33 H GLY 33 -8.893 -14.282 0.170 239 1HA GLY 33 2HA GLY 33 -9.506 -14.083 -2.371 240 2HA GLY 33 1HA GLY 33 -10.420 -12.701 -1.771 241 H THR 34 H THR 34 -9.023 -11.526 -3.296 242 HA THR 34 HA THR 34 -6.254 -11.188 -2.452 243 HB THR 34 HB THR 34 -7.757 -9.934 -4.759 244 HG1 THR 34 1HG THR 34 -6.576 -11.477 -5.984 245 1HG2 THR 34 1HG2 THR 34 -5.866 -8.961 -5.496 246 2HG2 THR 34 2HG2 THR 34 -4.824 -10.209 -4.815 247 3HG2 THR 34 3HG2 THR 34 -5.484 -8.947 -3.774 248 H ILE 35 H ILE 35 -5.472 -9.446 -1.409 249 HA ILE 35 HA ILE 35 -7.266 -7.148 -0.997 250 HB ILE 35 HB ILE 35 -5.514 -8.292 1.175 251 1HG1 ILE 35 2HG1 ILE 35 -8.512 -8.569 0.868 252 2HG1 ILE 35 1HG1 ILE 35 -7.352 -9.853 0.545 253 1HG2 ILE 35 1HG2 ILE 35 -6.826 -6.817 2.630 254 2HG2 ILE 35 2HG2 ILE 35 -7.703 -6.220 1.222 255 3HG2 ILE 35 3HG2 ILE 35 -5.973 -5.915 1.378 256 1HD1 ILE 35 1HD1 ILE 35 -6.655 -9.153 3.062 257 2HD1 ILE 35 2HD1 ILE 35 -7.789 -10.441 2.656 258 3HD1 ILE 35 3HD1 ILE 35 -8.391 -8.841 3.087 259 H ILE 36 H ILE 36 -6.214 -5.143 -0.580 260 HA ILE 36 HA ILE 36 -3.315 -5.078 -0.987 261 HB ILE 36 HB ILE 36 -3.411 -3.428 -2.720 262 1HG1 ILE 36 2HG1 ILE 36 -6.420 -3.554 -2.396 263 2HG1 ILE 36 1HG1 ILE 36 -5.381 -2.180 -2.029 264 1HG2 ILE 36 1HG2 ILE 36 -5.438 -5.245 -3.841 265 2HG2 ILE 36 2HG2 ILE 36 -4.043 -6.022 -3.094 266 3HG2 ILE 36 3HG2 ILE 36 -3.810 -4.868 -4.406 267 1HD1 ILE 36 1HD1 ILE 36 -6.488 -3.076 -4.579 268 2HD1 ILE 36 2HD1 ILE 36 -4.786 -2.621 -4.640 269 3HD1 ILE 36 3HD1 ILE 36 -5.986 -1.469 -4.055 270 H GLU 37 H GLU 37 -2.336 -3.657 0.349 271 HA GLU 37 HA GLU 37 -3.971 -1.493 1.485 272 1HB GLU 37 2HB GLU 37 -2.111 -1.952 3.433 273 2HB GLU 37 1HB GLU 37 -3.766 -2.556 3.453 274 1HG GLU 37 2HG GLU 37 -3.125 -4.677 2.771 275 2HG GLU 37 1HG GLU 37 -1.563 -4.124 2.176 276 H ARG 38 H ARG 38 -2.411 0.148 2.643 277 HA ARG 38 HA ARG 38 0.017 0.535 1.051 278 1HB ARG 38 2HB ARG 38 -2.187 2.570 1.393 279 2HB ARG 38 1HB ARG 38 -0.587 2.951 0.776 280 1HG ARG 38 2HG ARG 38 -1.439 2.558 -1.239 281 2HG ARG 38 1HG ARG 38 -1.359 0.848 -0.808 282 1HD ARG 38 2HD ARG 38 -3.636 0.883 -0.038 283 2HD ARG 38 1HD ARG 38 -3.727 2.629 -0.260 284 HE ARG 38 HE ARG 38 -4.200 2.268 -2.458 285 1HH1 ARG 38 1HH1 ARG 38 -2.667 -0.598 -1.186 286 2HH1 ARG 38 2HH1 ARG 38 -2.890 -1.514 -2.640 287 1HH2 ARG 38 1HH2 ARG 38 -4.495 1.063 -4.368 288 2HH2 ARG 38 2HH2 ARG 38 -3.926 -0.570 -4.446 289 H GLY 39 H GLY 39 1.044 2.766 1.930 290 1HA GLY 39 2HA GLY 39 0.780 3.695 4.473 291 2HA GLY 39 1HA GLY 39 1.677 2.199 4.681 292 H CYS 40 H CYS 40 2.553 4.909 5.243 293 HA CYS 40 HA CYS 40 4.401 5.658 3.182 294 1HB CYS 40 2HB CYS 40 4.149 6.628 6.036 295 2HB CYS 40 1HB CYS 40 5.081 7.399 4.755 296 H GLY 41 H GLY 41 6.544 5.253 3.058 297 1HA GLY 41 2HA GLY 41 8.636 4.794 4.315 298 2HA GLY 41 1HA GLY 41 7.715 3.574 5.194 299 H CYS 42 H CYS 42 9.387 2.076 4.518 300 HA CYS 42 HA CYS 42 8.631 0.702 2.115 301 1HB CYS 42 2HB CYS 42 10.171 2.410 1.206 302 2HB CYS 42 1HB CYS 42 11.439 1.823 2.286 303 HA PRO 43 HA PRO 43 10.530 -1.849 5.538 304 1HB PRO 43 2HB PRO 43 8.330 -3.095 6.432 305 2HB PRO 43 1HB PRO 43 8.758 -1.466 6.982 306 1HG PRO 43 2HG PRO 43 6.750 -2.307 4.927 307 2HG PRO 43 1HG PRO 43 6.613 -1.064 6.187 308 1HD PRO 43 2HD PRO 43 7.206 -0.536 3.553 309 2HD PRO 43 1HD PRO 43 7.669 0.513 4.910 310 H LYS 44 H LYS 44 10.498 -4.256 5.735 311 HA LYS 44 HA LYS 44 10.352 -5.437 3.089 312 1HB LYS 44 2HB LYS 44 11.681 -6.081 5.649 313 2HB LYS 44 1HB LYS 44 11.182 -7.466 4.686 314 1HG LYS 44 2HG LYS 44 12.476 -6.677 2.808 315 2HG LYS 44 1HG LYS 44 12.901 -5.206 3.684 316 1HD LYS 44 2HD LYS 44 14.461 -6.251 4.946 317 2HD LYS 44 1HD LYS 44 13.527 -7.745 5.050 318 1HE LYS 44 2HE LYS 44 14.899 -6.866 2.523 319 2HE LYS 44 1HE LYS 44 15.711 -7.840 3.749 320 1HZ LYS 44 1HZ LYS 44 13.627 -8.588 1.867 321 2HZ LYS 44 2HZ LYS 44 13.481 -9.240 3.421 322 3HZ LYS 44 3HZ LYS 44 14.885 -9.514 2.517 323 H VAL 45 H VAL 45 9.718 -7.972 3.326 324 HA VAL 45 HA VAL 45 7.286 -8.293 4.885 325 HB VAL 45 HB VAL 45 6.036 -9.087 2.828 326 1HG1 VAL 45 1HG1 VAL 45 5.420 -6.761 2.146 327 2HG1 VAL 45 2HG1 VAL 45 6.742 -6.177 3.155 328 3HG1 VAL 45 3HG1 VAL 45 5.392 -7.046 3.886 329 1HG2 VAL 45 1HG2 VAL 45 6.835 -8.807 0.736 330 2HG2 VAL 45 2HG2 VAL 45 8.399 -8.844 1.550 331 3HG2 VAL 45 3HG2 VAL 45 7.657 -7.299 1.138 332 H LYS 46 H LYS 46 6.402 -10.518 4.684 333 HA LYS 46 HA LYS 46 8.521 -12.410 4.795 334 1HB LYS 46 2HB LYS 46 5.582 -12.478 5.349 335 2HB LYS 46 1HB LYS 46 6.480 -13.982 5.228 336 1HG LYS 46 2HG LYS 46 7.013 -11.736 7.159 337 2HG LYS 46 1HG LYS 46 6.287 -13.300 7.536 338 1HD LYS 46 2HD LYS 46 8.571 -14.118 6.378 339 2HD LYS 46 1HD LYS 46 9.111 -12.581 7.053 340 1HE LYS 46 2HE LYS 46 9.531 -14.039 8.791 341 2HE LYS 46 1HE LYS 46 7.934 -13.420 9.213 342 1HZ LYS 46 1HZ LYS 46 7.518 -15.615 9.429 343 2HZ LYS 46 2HZ LYS 46 8.723 -16.085 8.339 344 3HZ LYS 46 3HZ LYS 46 7.238 -15.514 7.764 345 HA PRO 47 HA PRO 47 7.978 -14.288 0.846 346 1HB PRO 47 2HB PRO 47 8.185 -16.982 1.508 347 2HB PRO 47 1HB PRO 47 9.523 -15.886 1.231 348 1HG PRO 47 2HG PRO 47 8.687 -17.088 3.659 349 2HG PRO 47 1HG PRO 47 10.105 -16.089 3.358 350 1HD PRO 47 2HD PRO 47 7.623 -15.385 4.658 351 2HD PRO 47 1HD PRO 47 9.127 -14.454 4.526 352 H GLY 48 H GLY 48 5.797 -13.749 0.442 353 1HA GLY 48 2HA GLY 48 4.094 -15.689 -0.389 354 2HA GLY 48 1HA GLY 48 3.669 -15.494 1.312 355 H VAL 49 H VAL 49 4.355 -12.618 1.240 356 HA VAL 49 HA VAL 49 1.908 -11.683 -0.102 357 HB VAL 49 HB VAL 49 3.419 -10.306 2.122 358 1HG1 VAL 49 1HG1 VAL 49 1.573 -9.282 0.374 359 2HG1 VAL 49 2HG1 VAL 49 1.937 -8.637 1.975 360 3HG1 VAL 49 3HG1 VAL 49 0.579 -9.741 1.757 361 1HG2 VAL 49 1HG2 VAL 49 0.807 -11.455 2.761 362 2HG2 VAL 49 2HG2 VAL 49 2.313 -11.478 3.679 363 3HG2 VAL 49 3HG2 VAL 49 2.044 -12.657 2.395 364 H ASN 50 H ASN 50 1.980 -10.010 -1.545 365 HA ASN 50 HA ASN 50 4.611 -9.286 -2.539 366 1HB ASN 50 2HB ASN 50 2.107 -8.172 -3.724 367 2HB ASN 50 1HB ASN 50 3.598 -8.673 -4.521 368 1HD2 ASN 50 1HD2 ASN 50 0.476 -9.603 -3.475 369 2HD2 ASN 50 2HD2 ASN 50 0.516 -11.233 -4.075 370 H LEU 51 H LEU 51 5.366 -7.183 -2.772 371 HA LEU 51 HA LEU 51 3.912 -4.936 -1.735 372 1HB LEU 51 2HB LEU 51 4.579 -5.730 0.380 373 2HB LEU 51 1HB LEU 51 6.167 -6.193 -0.197 374 HG LEU 51 HG LEU 51 6.562 -3.665 -0.537 375 1HD1 LEU 51 1HD1 LEU 51 3.957 -3.423 0.044 376 2HD1 LEU 51 2HD1 LEU 51 5.141 -2.151 0.340 377 3HD1 LEU 51 3HD1 LEU 51 4.645 -3.215 1.655 378 1HD2 LEU 51 1HD2 LEU 51 7.298 -5.353 1.367 379 2HD2 LEU 51 2HD2 LEU 51 6.285 -4.292 2.347 380 3HD2 LEU 51 3HD2 LEU 51 7.654 -3.627 1.456 381 H ASN 52 H ASN 52 4.871 -2.952 -2.308 382 HA ASN 52 HA ASN 52 7.509 -2.923 -3.486 383 1HB ASN 52 2HB ASN 52 6.968 -2.487 -5.704 384 2HB ASN 52 1HB ASN 52 5.788 -3.717 -5.267 385 1HD2 ASN 52 1HD2 ASN 52 3.872 -2.368 -3.970 386 2HD2 ASN 52 2HD2 ASN 52 3.156 -1.178 -4.995 387 H CYS 53 H CYS 53 8.462 -1.070 -2.978 388 HA CYS 53 HA CYS 53 6.913 1.105 -1.889 389 1HB CYS 53 2HB CYS 53 9.895 1.045 -2.336 390 2HB CYS 53 1HB CYS 53 8.986 1.997 -1.169 391 H CYS 54 H CYS 54 7.271 3.338 -2.563 392 HA CYS 54 HA CYS 54 8.390 3.899 -5.141 393 1HB CYS 54 2HB CYS 54 6.144 4.858 -5.975 394 2HB CYS 54 1HB CYS 54 6.420 3.124 -6.121 395 H ARG 55 H ARG 55 8.354 6.071 -5.697 396 HA ARG 55 HA ARG 55 7.937 7.845 -3.403 397 1HB ARG 55 2HB ARG 55 9.957 8.794 -5.189 398 2HB ARG 55 1HB ARG 55 10.088 8.366 -3.492 399 1HG ARG 55 2HG ARG 55 10.348 5.978 -4.229 400 2HG ARG 55 1HG ARG 55 10.498 6.598 -5.880 401 1HD ARG 55 2HD ARG 55 12.596 7.303 -5.542 402 2HD ARG 55 1HD ARG 55 12.215 7.970 -3.955 403 HE ARG 55 HE ARG 55 12.236 5.336 -3.461 404 1HH1 ARG 55 1HH1 ARG 55 14.508 7.399 -5.126 405 2HH1 ARG 55 2HH1 ARG 55 15.881 6.429 -4.712 406 1HH2 ARG 55 1HH2 ARG 55 14.041 4.063 -2.914 407 2HH2 ARG 55 2HH2 ARG 55 15.617 4.536 -3.456 408 H THR 56 H THR 56 5.961 7.423 -5.391 409 HA THR 56 HA THR 56 5.961 10.068 -6.685 410 HB THR 56 HB THR 56 4.346 8.621 -8.328 411 HG1 THR 56 1HG THR 56 5.216 6.637 -8.659 412 1HG2 THR 56 1HG2 THR 56 5.826 9.806 -9.540 413 2HG2 THR 56 2HG2 THR 56 6.632 8.241 -9.645 414 3HG2 THR 56 3HG2 THR 56 7.175 9.436 -8.467 415 H ASP 57 H ASP 57 3.924 11.083 -6.904 416 HA ASP 57 HA ASP 57 2.192 10.742 -4.712 417 1HB ASP 57 2HB ASP 57 2.580 12.658 -6.726 418 2HB ASP 57 1HB ASP 57 0.908 12.121 -6.912 419 H ARG 58 H ARG 58 0.501 9.442 -4.402 420 HA ARG 58 HA ARG 58 -1.115 7.880 -4.758 421 1HB ARG 58 2HB ARG 58 -1.233 9.184 -7.485 422 2HB ARG 58 1HB ARG 58 -2.435 8.063 -6.845 423 1HG ARG 58 2HG ARG 58 -2.938 9.637 -5.044 424 2HG ARG 58 1HG ARG 58 -1.740 10.759 -5.692 425 1HD ARG 58 2HD ARG 58 -3.076 11.410 -7.396 426 2HD ARG 58 1HD ARG 58 -3.780 9.806 -7.597 427 HE ARG 58 HE ARG 58 -4.840 10.638 -5.260 428 1HH1 ARG 58 1HH1 ARG 58 -4.636 12.104 -8.420 429 2HH1 ARG 58 2HH1 ARG 58 -6.109 12.995 -8.239 430 1HH2 ARG 58 1HH2 ARG 58 -6.776 11.810 -5.018 431 2HH2 ARG 58 2HH2 ARG 58 -7.323 12.830 -6.306 432 H CYS 59 H CYS 59 1.724 7.336 -5.453 433 HA CYS 59 HA CYS 59 1.874 5.698 -7.735 434 1HB CYS 59 2HB CYS 59 3.995 4.978 -6.857 435 2HB CYS 59 1HB CYS 59 3.817 6.703 -6.542 436 H ASN 60 H ASN 60 0.756 5.124 -4.494 437 HA ASN 60 HA ASN 60 0.647 2.233 -4.963 438 1HB ASN 60 2HB ASN 60 0.003 2.136 -2.540 439 2HB ASN 60 1HB ASN 60 1.600 2.823 -2.839 440 1HD2 ASN 60 1HD2 ASN 60 0.847 3.431 -0.510 441 2HD2 ASN 60 2HD2 ASN 60 0.163 5.020 -0.370 442 H ASN 61 H ASN 61 -1.108 4.033 -6.395 443 HA ASN 61 HA ASN 61 -3.687 4.078 -5.239 444 1HB ASN 61 2HB ASN 61 -4.429 4.545 -7.579 445 2HB ASN 61 1HB ASN 61 -3.144 5.606 -7.019 446 1HD2 ASN 61 1HD2 ASN 61 -2.033 6.100 -8.780 447 2HD2 ASN 61 2HD2 ASN 61 -1.365 4.954 -9.901 Start of MODEL 5 1 1H LEU 1 1HT LEU 1 3.783 13.800 0.404 2 2H LEU 1 2HT LEU 1 3.288 15.175 -0.495 3 3H LEU 1 3HT LEU 1 4.862 14.525 -0.713 4 HA LEU 1 HA LEU 1 3.219 14.008 -2.468 5 1HB LEU 1 2HB LEU 1 5.370 12.761 -1.752 6 2HB LEU 1 1HB LEU 1 4.279 11.571 -1.067 7 HG LEU 1 HG LEU 1 4.270 12.394 -3.970 8 1HD1 LEU 1 1HD1 LEU 1 5.270 10.105 -4.300 9 2HD1 LEU 1 2HD1 LEU 1 5.605 10.093 -2.569 10 3HD1 LEU 1 3HD1 LEU 1 6.344 11.317 -3.600 11 1HD2 LEU 1 1HD2 LEU 1 3.136 9.934 -3.814 12 2HD2 LEU 1 2HD2 LEU 1 2.237 11.451 -3.833 13 3HD2 LEU 1 3HD2 LEU 1 2.594 10.658 -2.299 14 H GLU 2 H GLU 2 1.158 13.531 -2.834 15 HA GLU 2 HA GLU 2 -0.515 12.547 -0.700 16 1HB GLU 2 2HB GLU 2 -0.972 13.605 -3.457 17 2HB GLU 2 1HB GLU 2 -2.243 12.659 -2.693 18 1HG GLU 2 2HG GLU 2 -2.458 14.210 -0.921 19 2HG GLU 2 1HG GLU 2 -0.980 15.050 -1.387 20 H CYS 3 H CYS 3 0.083 10.425 -0.325 21 HA CYS 3 HA CYS 3 -0.087 8.535 -2.546 22 1HB CYS 3 2HB CYS 3 1.081 8.445 0.215 23 2HB CYS 3 1HB CYS 3 0.701 6.945 -0.629 24 H HIS 4 H HIS 4 -0.920 6.254 -1.520 25 HA HIS 4 HA HIS 4 -3.598 6.843 -0.440 26 1HB HIS 4 2HB HIS 4 -2.805 4.578 -2.285 27 2HB HIS 4 1HB HIS 4 -4.432 4.914 -1.686 28 HD1 HIS 4 1HD HIS 4 -5.317 7.435 -2.426 29 HD2 HIS 4 2HD HIS 4 -2.317 5.683 -4.707 30 HE1 HIS 4 1HE HIS 4 -5.338 8.665 -4.618 31 HE2 HIS 4 2HE HIS 4 -3.583 7.519 -6.018 32 H ASN 5 H ASN 5 -4.568 5.193 0.900 33 HA ASN 5 HA ASN 5 -2.963 3.052 1.935 34 1HB ASN 5 2HB ASN 5 -3.052 3.944 4.311 35 2HB ASN 5 1HB ASN 5 -1.898 4.734 3.234 36 1HD2 ASN 5 1HD2 ASN 5 -2.545 6.759 2.270 37 2HD2 ASN 5 2HD2 ASN 5 -3.608 7.815 3.147 38 H GLN 6 H GLN 6 -5.296 2.754 0.737 39 HA GLN 6 HA GLN 6 -7.336 2.563 2.842 40 1HB GLN 6 2HB GLN 6 -8.968 2.354 1.053 41 2HB GLN 6 1HB GLN 6 -7.982 3.789 0.804 42 1HG GLN 6 2HG GLN 6 -6.753 1.611 -0.545 43 2HG GLN 6 1HG GLN 6 -8.463 1.646 -0.975 44 1HE2 GLN 6 1HE2 GLN 6 -8.699 2.633 -2.840 45 2HE2 GLN 6 2HE2 GLN 6 -7.908 4.098 -3.330 46 H GLN 7 H GLN 7 -8.544 0.620 3.089 47 HA GLN 7 HA GLN 7 -6.943 -1.743 2.760 48 1HB GLN 7 2HB GLN 7 -8.954 -2.822 3.890 49 2HB GLN 7 1HB GLN 7 -8.083 -1.613 4.817 50 1HG GLN 7 2HG GLN 7 -9.796 -0.112 4.733 51 2HG GLN 7 1HG GLN 7 -10.411 -0.732 3.202 52 1HE2 GLN 7 1HE2 GLN 7 -12.497 -1.030 3.789 53 2HE2 GLN 7 2HE2 GLN 7 -13.011 -2.166 4.998 54 H SER 8 H SER 8 -6.890 -2.751 0.862 55 HA SER 8 HA SER 8 -7.562 -3.868 -1.001 56 1HB SER 8 2HB SER 8 -9.556 -4.386 0.824 57 2HB SER 8 1HB SER 8 -10.459 -3.721 -0.543 58 HG SER 8 HG SER 8 -9.384 -5.282 -1.866 59 H SER 9 H SER 9 -10.370 -1.739 -0.464 60 HA SER 9 HA SER 9 -9.561 0.019 -2.604 61 1HB SER 9 2HB SER 9 -11.401 -2.173 -3.092 62 2HB SER 9 1HB SER 9 -12.161 -0.614 -3.413 63 HG SER 9 HG SER 9 -10.793 -1.773 -5.119 64 H GLN 10 H GLN 10 -12.249 -1.001 -0.515 65 HA GLN 10 HA GLN 10 -13.661 1.394 -0.475 66 1HB GLN 10 2HB GLN 10 -13.423 -0.418 1.917 67 2HB GLN 10 1HB GLN 10 -14.805 0.542 1.400 68 1HG GLN 10 2HG GLN 10 -15.586 -1.353 0.555 69 2HG GLN 10 1HG GLN 10 -14.413 -1.107 -0.742 70 1HE2 GLN 10 1HE2 GLN 10 -15.603 -3.474 0.871 71 2HE2 GLN 10 2HE2 GLN 10 -14.205 -4.450 1.200 72 H ALA 11 H ALA 11 -13.864 2.932 1.327 73 HA ALA 11 HA ALA 11 -13.002 4.570 2.645 74 1HB ALA 11 1HB ALA 11 -12.734 2.964 4.344 75 2HB ALA 11 2HB ALA 11 -11.197 3.824 4.273 76 3HB ALA 11 3HB ALA 11 -11.347 2.227 3.541 77 HA PRO 12 HA PRO 12 -9.693 5.132 -0.711 78 1HB PRO 12 2HB PRO 12 -11.217 7.709 -0.589 79 2HB PRO 12 1HB PRO 12 -10.500 6.891 -1.987 80 1HG PRO 12 2HG PRO 12 -13.089 6.687 -1.614 81 2HG PRO 12 1HG PRO 12 -12.147 5.228 -2.011 82 1HD PRO 12 2HD PRO 12 -13.215 6.122 0.647 83 2HD PRO 12 1HD PRO 12 -13.196 4.492 -0.067 84 H THR 13 H THR 13 -7.962 6.728 -0.715 85 HA THR 13 HA THR 13 -7.703 8.518 1.530 86 HB THR 13 HB THR 13 -5.320 6.919 1.581 87 HG1 THR 13 1HG THR 13 -7.671 5.467 2.195 88 1HG2 THR 13 1HG2 THR 13 -5.553 7.869 3.588 89 2HG2 THR 13 2HG2 THR 13 -6.513 6.435 3.954 90 3HG2 THR 13 3HG2 THR 13 -7.312 7.932 3.472 91 H THR 14 H THR 14 -6.852 10.287 0.685 92 HA THR 14 HA THR 14 -4.742 10.011 -1.352 93 HB THR 14 HB THR 14 -6.939 12.078 -1.318 94 HG1 THR 14 1HG THR 14 -7.698 10.046 -1.972 95 1HG2 THR 14 1HG2 THR 14 -6.129 12.501 -3.665 96 2HG2 THR 14 2HG2 THR 14 -4.674 11.606 -3.225 97 3HG2 THR 14 3HG2 THR 14 -5.093 13.087 -2.365 98 H LYS 15 H LYS 15 -5.390 11.044 1.692 99 HA LYS 15 HA LYS 15 -4.012 13.567 1.649 100 1HB LYS 15 2HB LYS 15 -5.814 12.531 3.346 101 2HB LYS 15 1HB LYS 15 -4.343 12.082 4.199 102 1HG LYS 15 2HG LYS 15 -4.206 14.123 5.034 103 2HG LYS 15 1HG LYS 15 -4.075 14.786 3.405 104 1HD LYS 15 2HD LYS 15 -5.926 15.876 4.365 105 2HD LYS 15 1HD LYS 15 -6.617 14.637 3.316 106 1HE LYS 15 2HE LYS 15 -6.098 14.020 6.191 107 2HE LYS 15 1HE LYS 15 -7.520 14.964 5.747 108 1HZ LYS 15 1HZ LYS 15 -6.901 12.158 5.190 109 2HZ LYS 15 2HZ LYS 15 -7.811 13.007 4.045 110 3HZ LYS 15 3HZ LYS 15 -8.369 12.872 5.636 111 H THR 16 H THR 16 -2.069 13.974 2.951 112 HA THR 16 HA THR 16 -0.049 11.985 2.368 113 HB THR 16 HB THR 16 1.392 13.891 3.508 114 HG1 THR 16 1HG THR 16 -0.797 15.411 2.584 115 1HG2 THR 16 1HG2 THR 16 2.020 13.908 1.378 116 2HG2 THR 16 2HG2 THR 16 0.849 15.212 1.176 117 3HG2 THR 16 3HG2 THR 16 0.392 13.550 0.801 118 H CYS 17 H CYS 17 1.804 12.078 4.216 119 HA CYS 17 HA CYS 17 0.464 11.243 6.706 120 1HB CYS 17 2HB CYS 17 3.146 10.222 5.782 121 2HB CYS 17 1HB CYS 17 2.077 9.537 7.007 122 H SER 18 H SER 18 2.281 11.146 8.537 123 HA SER 18 HA SER 18 2.990 13.846 9.039 124 1HB SER 18 2HB SER 18 4.351 12.618 10.958 125 2HB SER 18 1HB SER 18 2.592 12.725 11.014 126 HG SER 18 HG SER 18 4.149 10.541 10.876 127 H GLY 19 H GLY 19 5.251 11.107 9.197 128 1HA GLY 19 2HA GLY 19 7.397 12.850 8.293 129 2HA GLY 19 1HA GLY 19 7.566 11.196 8.881 130 H GLU 20 H GLU 20 6.145 12.980 6.141 131 HA GLU 20 HA GLU 20 6.058 10.840 4.353 132 1HB GLU 20 2HB GLU 20 5.982 13.794 4.138 133 2HB GLU 20 1HB GLU 20 6.407 12.918 2.668 134 1HG GLU 20 2HG GLU 20 4.060 11.921 4.151 135 2HG GLU 20 1HG GLU 20 3.892 13.497 3.377 136 H THR 21 H THR 21 7.525 9.821 3.150 137 HA THR 21 HA THR 21 10.015 11.042 2.393 138 HB THR 21 HB THR 21 11.402 9.226 3.444 139 HG1 THR 21 1HG THR 21 10.526 7.912 4.907 140 1HG2 THR 21 1HG2 THR 21 11.563 10.195 5.615 141 2HG2 THR 21 2HG2 THR 21 9.948 10.890 5.480 142 3HG2 THR 21 3HG2 THR 21 11.254 11.485 4.455 143 H ASN 22 H ASN 22 8.347 7.943 2.773 144 HA ASN 22 HA ASN 22 8.536 7.459 -0.077 145 1HB ASN 22 2HB ASN 22 9.455 5.143 1.539 146 2HB ASN 22 1HB ASN 22 9.925 5.643 -0.087 147 1HD2 ASN 22 1HD2 ASN 22 10.882 5.416 3.086 148 2HD2 ASN 22 2HD2 ASN 22 12.256 6.477 3.031 149 H CYS 23 H CYS 23 7.000 5.992 -0.825 150 HA CYS 23 HA CYS 23 5.015 5.154 1.161 151 1HB CYS 23 2HB CYS 23 4.744 5.861 -1.765 152 2HB CYS 23 1HB CYS 23 3.444 5.206 -0.779 153 H TYR 24 H TYR 24 3.579 3.312 -0.110 154 HA TYR 24 HA TYR 24 5.204 1.448 -1.558 155 1HB TYR 24 2HB TYR 24 5.088 -0.373 0.093 156 2HB TYR 24 1HB TYR 24 6.036 0.991 0.680 157 HD1 TYR 24 1HD TYR 24 2.972 -0.952 1.107 158 HD2 TYR 24 2HD TYR 24 5.203 2.389 2.505 159 HE1 TYR 24 1HE TYR 24 1.576 -0.874 3.130 160 HE2 TYR 24 2HE TYR 24 3.816 2.475 4.531 161 HH TYR 24 HH TYR 24 0.908 0.763 4.845 162 H LYS 25 H LYS 25 4.028 -0.740 -1.666 163 HA LYS 25 HA LYS 25 1.143 -0.581 -1.510 164 1HB LYS 25 2HB LYS 25 2.059 0.401 -3.789 165 2HB LYS 25 1HB LYS 25 2.233 -1.305 -4.201 166 1HG LYS 25 2HG LYS 25 -0.330 -1.063 -3.120 167 2HG LYS 25 1HG LYS 25 -0.124 0.339 -4.170 168 1HD LYS 25 2HD LYS 25 0.312 -1.008 -6.055 169 2HD LYS 25 1HD LYS 25 0.564 -2.446 -5.064 170 1HE LYS 25 2HE LYS 25 -1.583 -2.595 -6.144 171 2HE LYS 25 1HE LYS 25 -1.818 -2.368 -4.411 172 1HZ LYS 25 1HZ LYS 25 -2.643 -0.281 -4.701 173 2HZ LYS 25 2HZ LYS 25 -3.154 -0.971 -6.158 174 3HZ LYS 25 3HZ LYS 25 -1.774 0.008 -6.123 175 H LYS 26 H LYS 26 0.491 -2.491 -0.778 176 HA LYS 26 HA LYS 26 2.113 -4.859 -1.440 177 1HB LYS 26 2HB LYS 26 0.827 -5.565 0.867 178 2HB LYS 26 1HB LYS 26 2.465 -4.945 0.777 179 1HG LYS 26 2HG LYS 26 1.776 -2.759 1.362 180 2HG LYS 26 1HG LYS 26 0.074 -3.169 1.148 181 1HD LYS 26 2HD LYS 26 0.193 -3.344 3.414 182 2HD LYS 26 1HD LYS 26 0.687 -4.985 2.993 183 1HE LYS 26 2HE LYS 26 2.920 -4.567 3.451 184 2HE LYS 26 1HE LYS 26 2.735 -2.824 3.260 185 1HZ LYS 26 1HZ LYS 26 1.248 -3.014 5.321 186 2HZ LYS 26 2HZ LYS 26 2.923 -3.109 5.535 187 3HZ LYS 26 3HZ LYS 26 1.988 -4.518 5.556 188 H TRP 27 H TRP 27 1.031 -6.845 -1.721 189 HA TRP 27 HA TRP 27 -1.830 -6.983 -1.628 190 1HB TRP 27 2HB TRP 27 -2.125 -7.553 -4.028 191 2HB TRP 27 1HB TRP 27 -1.677 -5.888 -3.766 192 HD1 TRP 27 HD TRP 27 -0.637 -8.960 -5.481 193 HE1 TRP 27 1HE TRP 27 1.480 -8.533 -6.859 194 HE3 TRP 27 3HE TRP 27 0.579 -4.356 -3.671 195 HZ2 TRP 27 2HZ TRP 27 3.427 -6.508 -7.152 196 HZ3 TRP 27 3HZ TRP 27 2.581 -3.234 -4.555 197 HH2 TRP 27 HH TRP 27 3.975 -4.288 -6.258 198 H TRP 28 H TRP 28 -2.648 -9.080 -2.371 199 HA TRP 28 HA TRP 28 -0.775 -11.239 -2.717 200 1HB TRP 28 2HB TRP 28 -1.551 -12.453 -0.652 201 2HB TRP 28 1HB TRP 28 -0.556 -11.037 -0.333 202 HD1 TRP 28 HD TRP 28 -4.085 -12.333 0.059 203 HE1 TRP 28 1HE TRP 28 -5.347 -10.752 1.609 204 HE3 TRP 28 3HE TRP 28 -0.631 -8.591 0.448 205 HZ2 TRP 28 2HZ TRP 28 -4.977 -8.256 2.865 206 HZ3 TRP 28 3HZ TRP 28 -1.163 -6.637 1.846 207 HH2 TRP 28 HH TRP 28 -3.296 -6.475 3.029 208 H SER 29 H SER 29 -2.073 -13.410 -2.452 209 HA SER 29 HA SER 29 -4.850 -13.102 -3.310 210 1HB SER 29 2HB SER 29 -2.695 -14.499 -4.905 211 2HB SER 29 1HB SER 29 -4.421 -14.785 -5.162 212 HG SER 29 HG SER 29 -3.081 -12.289 -5.377 213 H ASP 30 H ASP 30 -5.654 -14.096 -1.515 214 HA ASP 30 HA ASP 30 -4.913 -16.925 -1.162 215 1HB ASP 30 2HB ASP 30 -4.295 -15.011 0.660 216 2HB ASP 30 1HB ASP 30 -5.890 -15.501 1.236 217 H HIS 31 H HIS 31 -6.821 -17.453 0.860 218 HA HIS 31 HA HIS 31 -9.043 -18.198 -0.589 219 1HB HIS 31 2HB HIS 31 -10.167 -18.557 1.552 220 2HB HIS 31 1HB HIS 31 -8.495 -19.100 1.632 221 HD1 HIS 31 1HD HIS 31 -10.781 -17.576 3.724 222 HD2 HIS 31 2HD HIS 31 -6.896 -16.583 2.635 223 HE1 HIS 31 1HE HIS 31 -9.935 -16.069 5.551 224 HE2 HIS 31 2HE HIS 31 -7.554 -15.551 4.913 225 H ARG 32 H ARG 32 -8.515 -15.216 1.236 226 HA ARG 32 HA ARG 32 -11.120 -14.180 0.963 227 1HB ARG 32 2HB ARG 32 -8.487 -12.730 1.307 228 2HB ARG 32 1HB ARG 32 -10.082 -12.027 1.551 229 1HG ARG 32 2HG ARG 32 -10.432 -13.146 3.519 230 2HG ARG 32 1HG ARG 32 -9.335 -14.460 3.090 231 1HD ARG 32 2HD ARG 32 -8.498 -11.644 3.772 232 2HD ARG 32 1HD ARG 32 -8.439 -13.015 4.877 233 HE ARG 32 HE ARG 32 -6.999 -13.445 2.428 234 1HH1 ARG 32 1HH1 ARG 32 -6.820 -12.143 5.661 235 2HH1 ARG 32 2HH1 ARG 32 -5.098 -12.292 5.760 236 1HH2 ARG 32 1HH2 ARG 32 -4.735 -13.642 2.556 237 2HH2 ARG 32 2HH2 ARG 32 -3.913 -13.144 3.997 238 H GLY 33 H GLY 33 -8.379 -14.294 -1.170 239 1HA GLY 33 2HA GLY 33 -8.890 -14.103 -3.561 240 2HA GLY 33 1HA GLY 33 -9.922 -12.734 -3.151 241 H THR 34 H THR 34 -8.846 -11.312 -4.518 242 HA THR 34 HA THR 34 -6.002 -10.842 -4.062 243 HB THR 34 HB THR 34 -7.704 -9.283 -5.984 244 HG1 THR 34 1HG THR 34 -8.212 -11.313 -6.590 245 1HG2 THR 34 1HG2 THR 34 -5.714 -8.431 -6.465 246 2HG2 THR 34 2HG2 THR 34 -5.347 -9.989 -7.209 247 3HG2 THR 34 3HG2 THR 34 -4.866 -9.672 -5.542 248 H ILE 35 H ILE 35 -5.386 -9.443 -2.561 249 HA ILE 35 HA ILE 35 -7.114 -7.110 -2.026 250 HB ILE 35 HB ILE 35 -5.403 -8.545 0.004 251 1HG1 ILE 35 2HG1 ILE 35 -7.915 -8.849 0.916 252 2HG1 ILE 35 1HG1 ILE 35 -8.240 -8.845 -0.815 253 1HG2 ILE 35 1HG2 ILE 35 -6.958 -6.034 0.016 254 2HG2 ILE 35 2HG2 ILE 35 -5.518 -6.484 0.930 255 3HG2 ILE 35 3HG2 ILE 35 -7.105 -7.057 1.446 256 1HD1 ILE 35 1HD1 ILE 35 -7.723 -10.991 -0.849 257 2HD1 ILE 35 2HD1 ILE 35 -7.198 -10.937 0.834 258 3HD1 ILE 35 3HD1 ILE 35 -6.060 -10.556 -0.457 259 H ILE 36 H ILE 36 -6.089 -5.140 -1.560 260 HA ILE 36 HA ILE 36 -3.178 -5.031 -1.858 261 HB ILE 36 HB ILE 36 -3.386 -3.118 -3.439 262 1HG1 ILE 36 2HG1 ILE 36 -5.996 -3.802 -4.468 263 2HG1 ILE 36 1HG1 ILE 36 -6.117 -3.317 -2.780 264 1HG2 ILE 36 1HG2 ILE 36 -4.563 -4.919 -5.222 265 2HG2 ILE 36 2HG2 ILE 36 -3.787 -5.913 -3.989 266 3HG2 ILE 36 3HG2 ILE 36 -2.845 -4.718 -4.879 267 1HD1 ILE 36 1HD1 ILE 36 -6.345 -1.300 -3.804 268 2HD1 ILE 36 2HD1 ILE 36 -5.306 -1.743 -5.158 269 3HD1 ILE 36 3HD1 ILE 36 -4.594 -1.333 -3.598 270 H GLU 37 H GLU 37 -2.350 -3.804 -0.266 271 HA GLU 37 HA GLU 37 -4.015 -1.612 0.785 272 1HB GLU 37 2HB GLU 37 -2.252 -2.094 2.810 273 2HB GLU 37 1HB GLU 37 -3.894 -2.730 2.733 274 1HG GLU 37 2HG GLU 37 -3.142 -4.821 1.944 275 2HG GLU 37 1HG GLU 37 -1.522 -4.204 1.628 276 H ARG 38 H ARG 38 -2.708 0.164 1.806 277 HA ARG 38 HA ARG 38 -0.038 0.480 0.670 278 1HB ARG 38 2HB ARG 38 -2.188 2.559 0.250 279 2HB ARG 38 1HB ARG 38 -0.531 2.623 -0.332 280 1HG ARG 38 2HG ARG 38 -1.529 1.930 -2.234 281 2HG ARG 38 1HG ARG 38 -1.268 0.350 -1.495 282 1HD ARG 38 2HD ARG 38 -3.457 -0.007 -1.659 283 2HD ARG 38 1HD ARG 38 -3.698 1.261 -0.458 284 HE ARG 38 HE ARG 38 -3.482 2.634 -2.782 285 1HH1 ARG 38 1HH1 ARG 38 -5.467 -0.048 -1.760 286 2HH1 ARG 38 2HH1 ARG 38 -6.787 0.370 -2.799 287 1HH2 ARG 38 1HH2 ARG 38 -5.217 3.186 -4.151 288 2HH2 ARG 38 2HH2 ARG 38 -6.645 2.206 -4.158 289 H GLY 39 H GLY 39 0.885 2.694 1.412 290 1HA GLY 39 2HA GLY 39 -0.070 4.042 3.651 291 2HA GLY 39 1HA GLY 39 0.885 2.693 4.244 292 H CYS 40 H CYS 40 2.147 4.526 5.167 293 HA CYS 40 HA CYS 40 4.009 5.664 3.190 294 1HB CYS 40 2HB CYS 40 2.830 6.693 5.713 295 2HB CYS 40 1HB CYS 40 4.511 7.121 5.397 296 H GLY 41 H GLY 41 5.927 4.705 3.112 297 1HA GLY 41 2HA GLY 41 7.909 4.448 4.783 298 2HA GLY 41 1HA GLY 41 6.861 3.201 5.457 299 H CYS 42 H CYS 42 8.677 1.773 4.993 300 HA CYS 42 HA CYS 42 8.307 0.447 2.473 301 1HB CYS 42 2HB CYS 42 9.920 2.215 1.849 302 2HB CYS 42 1HB CYS 42 11.023 1.632 3.098 303 HA PRO 43 HA PRO 43 9.875 -2.074 6.128 304 1HB PRO 43 2HB PRO 43 7.592 -3.158 7.017 305 2HB PRO 43 1HB PRO 43 8.103 -1.538 7.523 306 1HG PRO 43 2HG PRO 43 6.093 -2.331 5.449 307 2HG PRO 43 1HG PRO 43 5.995 -1.047 6.673 308 1HD PRO 43 2HD PRO 43 6.671 -0.621 4.043 309 2HD PRO 43 1HD PRO 43 7.173 0.432 5.384 310 H LYS 44 H LYS 44 9.510 -4.500 6.458 311 HA LYS 44 HA LYS 44 9.216 -5.739 3.813 312 1HB LYS 44 2HB LYS 44 11.231 -5.955 5.679 313 2HB LYS 44 1HB LYS 44 10.291 -7.414 5.962 314 1HG LYS 44 2HG LYS 44 10.451 -7.498 3.287 315 2HG LYS 44 1HG LYS 44 11.951 -6.642 3.652 316 1HD LYS 44 2HD LYS 44 12.535 -8.451 5.247 317 2HD LYS 44 1HD LYS 44 11.085 -9.320 4.741 318 1HE LYS 44 2HE LYS 44 11.929 -9.433 2.461 319 2HE LYS 44 1HE LYS 44 13.357 -8.511 2.928 320 1HZ LYS 44 1HZ LYS 44 13.471 -10.512 4.674 321 2HZ LYS 44 2HZ LYS 44 14.229 -10.555 3.163 322 3HZ LYS 44 3HZ LYS 44 12.730 -11.309 3.377 323 H VAL 45 H VAL 45 8.580 -8.210 4.112 324 HA VAL 45 HA VAL 45 6.405 -8.498 6.040 325 HB VAL 45 HB VAL 45 4.905 -9.383 4.217 326 1HG1 VAL 45 1HG1 VAL 45 5.142 -6.891 5.231 327 2HG1 VAL 45 2HG1 VAL 45 3.879 -7.381 4.103 328 3HG1 VAL 45 3HG1 VAL 45 5.320 -6.557 3.507 329 1HG2 VAL 45 1HG2 VAL 45 6.749 -9.645 2.548 330 2HG2 VAL 45 2HG2 VAL 45 6.770 -7.890 2.380 331 3HG2 VAL 45 3HG2 VAL 45 5.326 -8.801 1.939 332 H LYS 46 H LYS 46 5.339 -10.810 5.503 333 HA LYS 46 HA LYS 46 7.449 -12.675 5.908 334 1HB LYS 46 2HB LYS 46 4.476 -12.744 6.038 335 2HB LYS 46 1HB LYS 46 5.330 -14.269 5.878 336 1HG LYS 46 2HG LYS 46 5.774 -12.241 8.058 337 2HG LYS 46 1HG LYS 46 4.832 -13.725 8.209 338 1HD LYS 46 2HD LYS 46 6.994 -14.907 7.436 339 2HD LYS 46 1HD LYS 46 7.793 -13.393 7.867 340 1HE LYS 46 2HE LYS 46 6.244 -13.845 10.063 341 2HE LYS 46 1HE LYS 46 6.659 -15.489 9.579 342 1HZ LYS 46 1HZ LYS 46 8.811 -13.511 9.668 343 2HZ LYS 46 2HZ LYS 46 8.850 -15.165 10.020 344 3HZ LYS 46 3HZ LYS 46 8.208 -14.078 11.144 345 HA PRO 47 HA PRO 47 7.602 -14.443 1.876 346 1HB PRO 47 2HB PRO 47 7.653 -17.164 2.469 347 2HB PRO 47 1HB PRO 47 9.032 -16.083 2.468 348 1HG PRO 47 2HG PRO 47 7.777 -17.348 4.671 349 2HG PRO 47 1HG PRO 47 9.228 -16.351 4.656 350 1HD PRO 47 2HD PRO 47 6.554 -15.670 5.517 351 2HD PRO 47 1HD PRO 47 8.062 -14.753 5.695 352 H GLY 48 H GLY 48 5.529 -13.833 1.133 353 1HA GLY 48 2HA GLY 48 3.979 -15.727 -0.064 354 2HA GLY 48 1HA GLY 48 3.248 -15.546 1.531 355 H VAL 49 H VAL 49 3.987 -12.695 1.665 356 HA VAL 49 HA VAL 49 1.814 -11.674 -0.025 357 HB VAL 49 HB VAL 49 3.119 -10.367 2.369 358 1HG1 VAL 49 1HG1 VAL 49 0.630 -9.272 2.072 359 2HG1 VAL 49 2HG1 VAL 49 1.149 -9.484 0.400 360 3HG1 VAL 49 3HG1 VAL 49 2.138 -8.544 1.517 361 1HG2 VAL 49 1HG2 VAL 49 0.908 -12.308 2.121 362 2HG2 VAL 49 2HG2 VAL 49 0.631 -10.941 3.199 363 3HG2 VAL 49 3HG2 VAL 49 2.011 -12.007 3.463 364 H ASN 50 H ASN 50 2.124 -10.036 -1.473 365 HA ASN 50 HA ASN 50 4.898 -9.391 -2.111 366 1HB ASN 50 2HB ASN 50 2.641 -8.357 -3.763 367 2HB ASN 50 1HB ASN 50 4.221 -8.960 -4.266 368 1HD2 ASN 50 1HD2 ASN 50 0.937 -9.695 -3.760 369 2HD2 ASN 50 2HD2 ASN 50 1.007 -11.377 -4.184 370 H LEU 51 H LEU 51 5.674 -7.286 -2.322 371 HA LEU 51 HA LEU 51 4.041 -5.016 -1.683 372 1HB LEU 51 2HB LEU 51 4.381 -5.783 0.555 373 2HB LEU 51 1HB LEU 51 6.089 -6.049 0.269 374 HG LEU 51 HG LEU 51 6.175 -3.483 -0.139 375 1HD1 LEU 51 1HD1 LEU 51 4.494 -2.167 0.716 376 2HD1 LEU 51 2HD1 LEU 51 3.856 -3.456 1.736 377 3HD1 LEU 51 3HD1 LEU 51 3.576 -3.488 -0.006 378 1HD2 LEU 51 1HD2 LEU 51 7.037 -3.293 1.946 379 2HD2 LEU 51 2HD2 LEU 51 6.877 -5.049 1.901 380 3HD2 LEU 51 3HD2 LEU 51 5.651 -4.072 2.711 381 H ASN 52 H ASN 52 5.040 -3.056 -2.221 382 HA ASN 52 HA ASN 52 7.845 -3.053 -2.950 383 1HB ASN 52 2HB ASN 52 7.655 -2.732 -5.230 384 2HB ASN 52 1HB ASN 52 6.350 -3.875 -4.941 385 1HD2 ASN 52 1HD2 ASN 52 4.315 -2.426 -4.055 386 2HD2 ASN 52 2HD2 ASN 52 3.850 -1.223 -5.203 387 H CYS 53 H CYS 53 8.741 -1.179 -2.419 388 HA CYS 53 HA CYS 53 7.069 1.026 -1.589 389 1HB CYS 53 2HB CYS 53 10.062 1.123 -1.628 390 2HB CYS 53 1HB CYS 53 8.933 1.845 -0.487 391 H CYS 54 H CYS 54 7.319 3.178 -2.340 392 HA CYS 54 HA CYS 54 8.875 3.773 -4.676 393 1HB CYS 54 2HB CYS 54 6.746 4.502 -5.956 394 2HB CYS 54 1HB CYS 54 7.206 2.801 -5.984 395 H ARG 55 H ARG 55 8.763 5.913 -5.330 396 HA ARG 55 HA ARG 55 7.767 7.712 -3.245 397 1HB ARG 55 2HB ARG 55 9.987 8.795 -4.686 398 2HB ARG 55 1HB ARG 55 9.841 8.443 -2.973 399 1HG ARG 55 2HG ARG 55 10.633 6.206 -3.314 400 2HG ARG 55 1HG ARG 55 10.647 6.441 -5.064 401 1HD ARG 55 2HD ARG 55 12.310 8.003 -3.091 402 2HD ARG 55 1HD ARG 55 12.889 6.629 -4.034 403 HE ARG 55 HE ARG 55 11.790 8.502 -5.786 404 1HH1 ARG 55 1HH1 ARG 55 14.521 8.176 -3.640 405 2HH1 ARG 55 2HH1 ARG 55 15.532 9.238 -4.561 406 1HH2 ARG 55 1HH2 ARG 55 13.120 9.901 -7.001 407 2HH2 ARG 55 2HH2 ARG 55 14.736 10.217 -6.469 408 H THR 56 H THR 56 6.296 6.987 -5.590 409 HA THR 56 HA THR 56 6.379 9.511 -7.109 410 HB THR 56 HB THR 56 4.866 7.318 -8.328 411 HG1 THR 56 1HG THR 56 6.500 6.053 -7.458 412 1HG2 THR 56 1HG2 THR 56 5.441 9.335 -9.559 413 2HG2 THR 56 2HG2 THR 56 6.152 7.902 -10.303 414 3HG2 THR 56 3HG2 THR 56 7.155 8.987 -9.340 415 H ASP 57 H ASP 57 4.348 10.424 -7.762 416 HA ASP 57 HA ASP 57 2.443 10.516 -5.695 417 1HB ASP 57 2HB ASP 57 2.786 11.727 -8.352 418 2HB ASP 57 1HB ASP 57 1.100 11.532 -7.862 419 H ARG 58 H ARG 58 0.894 9.126 -5.193 420 HA ARG 58 HA ARG 58 -0.635 7.446 -5.319 421 1HB ARG 58 2HB ARG 58 -0.919 8.429 -8.167 422 2HB ARG 58 1HB ARG 58 -2.060 7.379 -7.327 423 1HG ARG 58 2HG ARG 58 -2.469 9.172 -5.693 424 2HG ARG 58 1HG ARG 58 -1.377 10.221 -6.599 425 1HD ARG 58 2HD ARG 58 -2.972 9.521 -8.598 426 2HD ARG 58 1HD ARG 58 -4.112 9.275 -7.274 427 HE ARG 58 HE ARG 58 -4.250 11.544 -7.019 428 1HH1 ARG 58 1HH1 ARG 58 -1.441 10.799 -8.951 429 2HH1 ARG 58 2HH1 ARG 58 -1.116 12.455 -9.342 430 1HH2 ARG 58 1HH2 ARG 58 -3.824 13.722 -7.532 431 2HH2 ARG 58 2HH2 ARG 58 -2.469 14.114 -8.535 432 H CYS 59 H CYS 59 2.151 6.866 -5.941 433 HA CYS 59 HA CYS 59 2.401 5.095 -8.103 434 1HB CYS 59 2HB CYS 59 4.484 4.453 -7.122 435 2HB CYS 59 1HB CYS 59 4.274 6.177 -6.823 436 H ASN 60 H ASN 60 1.049 4.702 -4.937 437 HA ASN 60 HA ASN 60 0.971 1.787 -5.263 438 1HB ASN 60 2HB ASN 60 0.322 1.736 -2.880 439 2HB ASN 60 1HB ASN 60 1.857 2.571 -3.132 440 1HD2 ASN 60 1HD2 ASN 60 1.587 3.613 -1.134 441 2HD2 ASN 60 2HD2 ASN 60 0.500 4.957 -0.959 442 H ASN 61 H ASN 61 -0.807 4.018 -6.503 443 HA ASN 61 HA ASN 61 -3.399 3.708 -5.454 444 1HB ASN 61 2HB ASN 61 -4.144 4.725 -7.540 445 2HB ASN 61 1HB ASN 61 -2.731 5.568 -6.926 446 1HD2 ASN 61 1HD2 ASN 61 -3.634 5.678 -9.581 447 2HD2 ASN 61 2HD2 ASN 61 -2.420 4.958 -10.593 Start of MODEL 6 1 1H LEU 1 1HT LEU 1 3.961 14.981 0.284 2 2H LEU 1 2HT LEU 1 5.384 14.022 0.257 3 3H LEU 1 3HT LEU 1 4.110 13.642 1.343 4 HA LEU 1 HA LEU 1 4.109 13.439 -1.590 5 1HB LEU 1 2HB LEU 1 4.768 11.696 0.553 6 2HB LEU 1 1HB LEU 1 3.288 11.110 -0.181 7 HG LEU 1 HG LEU 1 5.206 10.051 -1.194 8 1HD1 LEU 1 1HD1 LEU 1 3.334 10.366 -2.641 9 2HD1 LEU 1 2HD1 LEU 1 4.812 10.651 -3.560 10 3HD1 LEU 1 3HD1 LEU 1 3.842 12.016 -3.007 11 1HD2 LEU 1 1HD2 LEU 1 7.083 11.289 -1.144 12 2HD2 LEU 1 2HD2 LEU 1 6.203 12.809 -1.297 13 3HD2 LEU 1 3HD2 LEU 1 6.529 11.832 -2.728 14 H GLU 2 H GLU 2 2.087 11.655 -1.799 15 HA GLU 2 HA GLU 2 -0.266 12.508 -0.400 16 1HB GLU 2 2HB GLU 2 0.455 13.809 -2.882 17 2HB GLU 2 1HB GLU 2 -1.078 12.964 -3.046 18 1HG GLU 2 2HG GLU 2 -1.998 14.157 -1.182 19 2HG GLU 2 1HG GLU 2 -0.440 14.912 -0.848 20 H CYS 3 H CYS 3 0.830 10.064 -0.513 21 HA CYS 3 HA CYS 3 -0.341 8.474 -2.605 22 1HB CYS 3 2HB CYS 3 1.138 7.717 -0.079 23 2HB CYS 3 1HB CYS 3 0.643 6.584 -1.335 24 H HIS 4 H HIS 4 -1.309 6.267 -1.562 25 HA HIS 4 HA HIS 4 -3.727 7.161 -0.183 26 1HB HIS 4 2HB HIS 4 -3.122 4.533 -1.561 27 2HB HIS 4 1HB HIS 4 -4.684 5.010 -0.890 28 HD1 HIS 4 1HD HIS 4 -6.016 6.839 -2.187 29 HD2 HIS 4 2HD HIS 4 -2.515 5.600 -4.057 30 HE1 HIS 4 1HE HIS 4 -6.167 7.708 -4.542 31 HE2 HIS 4 2HE HIS 4 -4.056 6.918 -5.665 32 H ASN 5 H ASN 5 -4.653 5.038 1.110 33 HA ASN 5 HA ASN 5 -2.786 3.572 2.636 34 1HB ASN 5 2HB ASN 5 -3.243 4.750 4.840 35 2HB ASN 5 1HB ASN 5 -2.173 5.596 3.719 36 1HD2 ASN 5 1HD2 ASN 5 -5.266 5.564 5.270 37 2HD2 ASN 5 2HD2 ASN 5 -5.747 7.168 4.810 38 H GLN 6 H GLN 6 -5.237 3.113 1.249 39 HA GLN 6 HA GLN 6 -6.844 2.063 3.476 40 1HB GLN 6 2HB GLN 6 -8.893 2.634 2.403 41 2HB GLN 6 1HB GLN 6 -7.905 4.088 2.419 42 1HG GLN 6 2HG GLN 6 -8.128 2.248 0.050 43 2HG GLN 6 1HG GLN 6 -9.147 3.665 0.296 44 1HE2 GLN 6 1HE2 GLN 6 -7.613 3.426 -1.948 45 2HE2 GLN 6 2HE2 GLN 6 -6.325 4.590 -1.905 46 H GLN 7 H GLN 7 -7.574 0.001 3.249 47 HA GLN 7 HA GLN 7 -6.671 -1.434 0.856 48 1HB GLN 7 2HB GLN 7 -7.277 -3.436 2.505 49 2HB GLN 7 1HB GLN 7 -5.717 -2.632 2.547 50 1HG GLN 7 2HG GLN 7 -6.458 -1.255 4.405 51 2HG GLN 7 1HG GLN 7 -8.053 -2.003 4.340 52 1HE2 GLN 7 1HE2 GLN 7 -4.840 -2.252 5.465 53 2HE2 GLN 7 2HE2 GLN 7 -5.001 -3.774 6.285 54 H SER 8 H SER 8 -8.061 -2.541 -0.425 55 HA SER 8 HA SER 8 -10.030 -3.121 -1.409 56 1HB SER 8 2HB SER 8 -11.187 -3.405 1.362 57 2HB SER 8 1HB SER 8 -11.588 -4.322 -0.095 58 HG SER 8 HG SER 8 -9.109 -4.403 1.290 59 H SER 9 H SER 9 -12.664 -2.713 -0.873 60 HA SER 9 HA SER 9 -14.333 -1.174 -0.970 61 1HB SER 9 2HB SER 9 -12.462 -0.038 1.015 62 2HB SER 9 1HB SER 9 -13.578 1.117 0.286 63 HG SER 9 HG SER 9 -14.258 -0.126 2.255 64 H GLN 10 H GLN 10 -14.482 -0.656 -3.077 65 HA GLN 10 HA GLN 10 -12.665 0.597 -4.700 66 1HB GLN 10 2HB GLN 10 -15.632 1.074 -4.929 67 2HB GLN 10 1HB GLN 10 -14.437 0.991 -6.221 68 1HG GLN 10 2HG GLN 10 -15.160 -1.090 -6.498 69 2HG GLN 10 1HG GLN 10 -14.184 -1.465 -5.074 70 1HE2 GLN 10 1HE2 GLN 10 -15.198 -2.555 -3.565 71 2HE2 GLN 10 2HE2 GLN 10 -16.905 -2.530 -3.249 72 H ALA 11 H ALA 11 -13.140 2.821 -5.796 73 HA ALA 11 HA ALA 11 -13.048 5.088 -5.656 74 1HB ALA 11 1HB ALA 11 -15.064 4.402 -3.579 75 2HB ALA 11 2HB ALA 11 -15.237 5.358 -5.050 76 3HB ALA 11 3HB ALA 11 -14.445 6.053 -3.636 77 HA PRO 12 HA PRO 12 -9.610 4.344 -2.474 78 1HB PRO 12 2HB PRO 12 -8.360 5.839 -4.751 79 2HB PRO 12 1HB PRO 12 -7.665 4.583 -3.714 80 1HG PRO 12 2HG PRO 12 -8.478 3.912 -6.117 81 2HG PRO 12 1HG PRO 12 -8.914 2.884 -4.729 82 1HD PRO 12 2HD PRO 12 -10.601 4.873 -6.211 83 2HD PRO 12 1HD PRO 12 -11.037 3.260 -5.600 84 H THR 13 H THR 13 -8.187 6.054 -1.520 85 HA THR 13 HA THR 13 -9.009 8.803 -1.889 86 HB THR 13 HB THR 13 -9.265 8.746 0.809 87 HG1 THR 13 1HG THR 13 -10.084 6.917 1.499 88 1HG2 THR 13 1HG2 THR 13 -11.311 8.509 -1.345 89 2HG2 THR 13 2HG2 THR 13 -10.937 9.872 -0.290 90 3HG2 THR 13 3HG2 THR 13 -11.799 8.473 0.350 91 H THR 14 H THR 14 -7.331 10.130 -1.561 92 HA THR 14 HA THR 14 -4.894 8.981 -0.425 93 HB THR 14 HB THR 14 -4.418 9.930 -2.509 94 HG1 THR 14 1HG THR 14 -2.894 10.695 -1.114 95 1HG2 THR 14 1HG2 THR 14 -5.051 12.547 -2.671 96 2HG2 THR 14 2HG2 THR 14 -6.450 11.918 -1.800 97 3HG2 THR 14 3HG2 THR 14 -6.010 11.243 -3.369 98 H LYS 15 H LYS 15 -3.480 10.532 0.820 99 HA LYS 15 HA LYS 15 -4.875 12.529 2.384 100 1HB LYS 15 2HB LYS 15 -4.521 9.839 3.338 101 2HB LYS 15 1HB LYS 15 -3.581 10.943 4.329 102 1HG LYS 15 2HG LYS 15 -6.332 11.803 3.743 103 2HG LYS 15 1HG LYS 15 -6.176 10.363 4.751 104 1HD LYS 15 2HD LYS 15 -4.799 12.995 5.280 105 2HD LYS 15 1HD LYS 15 -6.291 12.465 6.057 106 1HE LYS 15 2HE LYS 15 -5.213 11.071 7.448 107 2HE LYS 15 1HE LYS 15 -4.111 10.514 6.190 108 1HZ LYS 15 1HZ LYS 15 -3.706 13.236 7.122 109 2HZ LYS 15 2HZ LYS 15 -2.571 12.041 6.742 110 3HZ LYS 15 3HZ LYS 15 -3.352 12.018 8.242 111 H THR 16 H THR 16 -3.043 12.839 4.427 112 HA THR 16 HA THR 16 -0.517 13.342 2.996 113 HB THR 16 HB THR 16 -1.734 15.127 5.110 114 HG1 THR 16 1HG THR 16 -2.161 16.521 3.343 115 1HG2 THR 16 1HG2 THR 16 0.190 16.272 3.256 116 2HG2 THR 16 2HG2 THR 16 0.872 15.021 4.295 117 3HG2 THR 16 3HG2 THR 16 0.070 16.419 5.009 118 H CYS 17 H CYS 17 1.266 12.576 3.939 119 HA CYS 17 HA CYS 17 1.018 11.237 6.503 120 1HB CYS 17 2HB CYS 17 3.250 11.355 4.469 121 2HB CYS 17 1HB CYS 17 3.373 10.484 5.999 122 H SER 18 H SER 18 3.307 11.395 7.766 123 HA SER 18 HA SER 18 3.326 14.062 8.819 124 1HB SER 18 2HB SER 18 5.372 12.929 10.120 125 2HB SER 18 1HB SER 18 3.694 12.597 10.544 126 HG SER 18 HG SER 18 5.261 10.761 10.133 127 H GLY 19 H GLY 19 5.748 12.014 7.192 128 1HA GLY 19 2HA GLY 19 6.816 13.961 5.553 129 2HA GLY 19 1HA GLY 19 7.709 14.085 7.068 130 H GLU 20 H GLU 20 6.508 11.408 5.034 131 HA GLU 20 HA GLU 20 8.915 9.894 5.550 132 1HB GLU 20 2HB GLU 20 6.257 9.374 4.412 133 2HB GLU 20 1HB GLU 20 7.562 8.494 3.618 134 1HG GLU 20 2HG GLU 20 7.023 8.471 6.580 135 2HG GLU 20 1HG GLU 20 6.495 7.231 5.443 136 H THR 21 H THR 21 9.677 8.641 3.397 137 HA THR 21 HA THR 21 10.446 10.769 1.513 138 HB THR 21 HB THR 21 12.267 8.813 1.053 139 HG1 THR 21 1HG THR 21 11.631 7.470 2.692 140 1HG2 THR 21 1HG2 THR 21 12.259 11.307 2.477 141 2HG2 THR 21 2HG2 THR 21 13.533 10.565 1.509 142 3HG2 THR 21 3HG2 THR 21 13.376 10.161 3.219 143 H ASN 22 H ASN 22 9.242 7.491 1.812 144 HA ASN 22 HA ASN 22 8.222 7.624 -0.899 145 1HB ASN 22 2HB ASN 22 9.562 5.046 -0.393 146 2HB ASN 22 1HB ASN 22 9.474 6.005 -1.872 147 1HD2 ASN 22 1HD2 ASN 22 11.255 5.313 1.002 148 2HD2 ASN 22 2HD2 ASN 22 12.666 6.244 0.607 149 H CYS 23 H CYS 23 6.420 6.358 -1.224 150 HA CYS 23 HA CYS 23 5.192 5.274 1.163 151 1HB CYS 23 2HB CYS 23 3.984 5.366 -1.595 152 2HB CYS 23 1HB CYS 23 3.168 5.365 -0.036 153 H TYR 24 H TYR 24 3.536 3.344 0.058 154 HA TYR 24 HA TYR 24 5.082 1.436 -1.419 155 1HB TYR 24 2HB TYR 24 5.037 -0.319 0.343 156 2HB TYR 24 1HB TYR 24 6.095 1.037 0.726 157 HD1 TYR 24 1HD TYR 24 2.806 -0.488 1.468 158 HD2 TYR 24 2HD TYR 24 5.741 2.342 2.676 159 HE1 TYR 24 1HE TYR 24 1.650 -0.216 3.621 160 HE2 TYR 24 2HE TYR 24 4.595 2.622 4.833 161 HH TYR 24 HH TYR 24 2.572 2.249 5.911 162 H LYS 25 H LYS 25 3.931 -0.714 -1.477 163 HA LYS 25 HA LYS 25 1.082 -0.646 -1.019 164 1HB LYS 25 2HB LYS 25 1.673 0.491 -3.314 165 2HB LYS 25 1HB LYS 25 1.906 -1.170 -3.852 166 1HG LYS 25 2HG LYS 25 -0.443 -1.576 -2.865 167 2HG LYS 25 1HG LYS 25 -0.598 0.180 -2.935 168 1HD LYS 25 2HD LYS 25 -0.837 0.179 -5.164 169 2HD LYS 25 1HD LYS 25 0.463 -0.993 -5.391 170 1HE LYS 25 2HE LYS 25 -0.954 -2.747 -5.436 171 2HE LYS 25 1HE LYS 25 -2.003 -2.063 -4.193 172 1HZ LYS 25 1HZ LYS 25 -1.957 -0.922 -6.913 173 2HZ LYS 25 2HZ LYS 25 -3.177 -0.836 -5.745 174 3HZ LYS 25 3HZ LYS 25 -2.897 -2.286 -6.569 175 H LYS 26 H LYS 26 0.701 -2.569 -0.179 176 HA LYS 26 HA LYS 26 2.236 -4.868 -1.189 177 1HB LYS 26 2HB LYS 26 1.243 -5.721 1.207 178 2HB LYS 26 1HB LYS 26 2.844 -5.056 0.962 179 1HG LYS 26 2HG LYS 26 2.096 -2.870 1.655 180 2HG LYS 26 1HG LYS 26 0.440 -3.458 1.800 181 1HD LYS 26 2HD LYS 26 0.878 -4.630 3.723 182 2HD LYS 26 1HD LYS 26 2.580 -4.861 3.320 183 1HE LYS 26 2HE LYS 26 3.040 -3.205 4.732 184 2HE LYS 26 1HE LYS 26 2.290 -2.109 3.573 185 1HZ LYS 26 1HZ LYS 26 1.480 -2.322 6.077 186 2HZ LYS 26 2HZ LYS 26 0.497 -3.514 5.389 187 3HZ LYS 26 3HZ LYS 26 0.428 -1.925 4.812 188 H TRP 27 H TRP 27 1.184 -6.872 -1.415 189 HA TRP 27 HA TRP 27 -1.648 -7.072 -1.022 190 1HB TRP 27 2HB TRP 27 -2.185 -7.587 -3.393 191 2HB TRP 27 1HB TRP 27 -1.744 -5.922 -3.129 192 HD1 TRP 27 HD TRP 27 -0.759 -8.959 -4.966 193 HE1 TRP 27 1HE TRP 27 1.164 -8.421 -6.572 194 HE3 TRP 27 3HE TRP 27 0.368 -4.278 -3.315 195 HZ2 TRP 27 2HZ TRP 27 2.940 -6.284 -7.086 196 HZ3 TRP 27 3HZ TRP 27 2.187 -3.042 -4.419 197 HH2 TRP 27 HH TRP 27 3.448 -4.026 -6.263 198 H TRP 28 H TRP 28 -2.502 -9.169 -1.765 199 HA TRP 28 HA TRP 28 -0.623 -11.282 -2.310 200 1HB TRP 28 2HB TRP 28 -1.214 -12.548 -0.213 201 2HB TRP 28 1HB TRP 28 -0.223 -11.118 0.055 202 HD1 TRP 28 HD TRP 28 -3.690 -12.487 0.688 203 HE1 TRP 28 1HE TRP 28 -4.861 -10.957 2.359 204 HE3 TRP 28 3HE TRP 28 -0.281 -8.682 0.889 205 HZ2 TRP 28 2HZ TRP 28 -4.440 -8.477 3.628 206 HZ3 TRP 28 3HZ TRP 28 -0.744 -6.765 2.361 207 HH2 TRP 28 HH TRP 28 -2.784 -6.667 3.701 208 H SER 29 H SER 29 -1.870 -13.482 -1.974 209 HA SER 29 HA SER 29 -4.657 -13.124 -2.852 210 1HB SER 29 2HB SER 29 -2.432 -14.573 -4.185 211 2HB SER 29 1HB SER 29 -4.013 -15.366 -4.192 212 HG SER 29 HG SER 29 -3.621 -12.676 -4.993 213 H ASP 30 H ASP 30 -5.579 -13.710 -0.926 214 HA ASP 30 HA ASP 30 -4.770 -16.205 0.343 215 1HB ASP 30 2HB ASP 30 -5.569 -13.835 1.403 216 2HB ASP 30 1HB ASP 30 -7.087 -14.734 1.433 217 H HIS 31 H HIS 31 -7.245 -16.936 1.459 218 HA HIS 31 HA HIS 31 -8.313 -18.504 -0.665 219 1HB HIS 31 2HB HIS 31 -10.006 -19.184 1.104 220 2HB HIS 31 1HB HIS 31 -8.318 -19.497 1.491 221 HD1 HIS 31 1HD HIS 31 -11.036 -16.966 2.262 222 HD2 HIS 31 2HD HIS 31 -7.479 -18.415 3.847 223 HE1 HIS 31 1HE HIS 31 -10.831 -15.905 4.532 224 HE2 HIS 31 2HE HIS 31 -8.628 -16.728 5.437 225 H ARG 32 H ARG 32 -9.499 -15.713 1.169 226 HA ARG 32 HA ARG 32 -12.053 -15.595 -0.011 227 1HB ARG 32 2HB ARG 32 -10.333 -13.724 1.540 228 2HB ARG 32 1HB ARG 32 -11.685 -13.033 0.642 229 1HG ARG 32 2HG ARG 32 -12.879 -15.133 1.894 230 2HG ARG 32 1HG ARG 32 -11.668 -14.648 3.083 231 1HD ARG 32 2HD ARG 32 -13.509 -12.672 1.765 232 2HD ARG 32 1HD ARG 32 -13.959 -13.540 3.231 233 HE ARG 32 HE ARG 32 -11.422 -12.202 3.413 234 1HH1 ARG 32 1HH1 ARG 32 -14.874 -11.852 3.787 235 2HH1 ARG 32 2HH1 ARG 32 -14.747 -10.526 4.894 236 1HH2 ARG 32 1HH2 ARG 32 -11.253 -10.460 4.870 237 2HH2 ARG 32 2HH2 ARG 32 -12.691 -9.736 5.509 238 H GLY 33 H GLY 33 -8.921 -14.460 -1.050 239 1HA GLY 33 2HA GLY 33 -9.226 -14.350 -3.690 240 2HA GLY 33 1HA GLY 33 -10.065 -12.875 -3.213 241 H THR 34 H THR 34 -8.854 -11.128 -3.418 242 HA THR 34 HA THR 34 -6.002 -11.301 -2.713 243 HB THR 34 HB THR 34 -7.076 -9.637 -4.992 244 HG1 THR 34 1HG THR 34 -5.775 -12.153 -5.114 245 1HG2 THR 34 1HG2 THR 34 -4.728 -9.318 -3.743 246 2HG2 THR 34 2HG2 THR 34 -4.971 -9.013 -5.463 247 3HG2 THR 34 3HG2 THR 34 -4.279 -10.544 -4.927 248 H ILE 35 H ILE 35 -5.157 -9.587 -1.604 249 HA ILE 35 HA ILE 35 -6.958 -7.319 -1.053 250 HB ILE 35 HB ILE 35 -5.191 -8.586 1.035 251 1HG1 ILE 35 2HG1 ILE 35 -8.177 -8.895 0.657 252 2HG1 ILE 35 1HG1 ILE 35 -6.977 -10.149 0.361 253 1HG2 ILE 35 1HG2 ILE 35 -7.064 -7.229 2.391 254 2HG2 ILE 35 2HG2 ILE 35 -6.987 -6.248 0.926 255 3HG2 ILE 35 3HG2 ILE 35 -5.530 -6.520 1.883 256 1HD1 ILE 35 1HD1 ILE 35 -8.018 -9.081 2.922 257 2HD1 ILE 35 2HD1 ILE 35 -6.349 -9.648 2.870 258 3HD1 ILE 35 3HD1 ILE 35 -7.666 -10.741 2.442 259 H ILE 36 H ILE 36 -5.933 -5.325 -0.574 260 HA ILE 36 HA ILE 36 -3.029 -5.223 -0.948 261 HB ILE 36 HB ILE 36 -3.153 -3.455 -2.589 262 1HG1 ILE 36 2HG1 ILE 36 -6.156 -3.773 -2.368 263 2HG1 ILE 36 1HG1 ILE 36 -5.215 -2.367 -1.884 264 1HG2 ILE 36 1HG2 ILE 36 -5.020 -5.252 -3.930 265 2HG2 ILE 36 2HG2 ILE 36 -3.727 -6.089 -3.073 266 3HG2 ILE 36 3HG2 ILE 36 -3.336 -4.883 -4.299 267 1HD1 ILE 36 1HD1 ILE 36 -6.236 -1.848 -3.949 268 2HD1 ILE 36 2HD1 ILE 36 -5.720 -3.374 -4.666 269 3HD1 ILE 36 3HD1 ILE 36 -4.528 -2.131 -4.284 270 H GLU 37 H GLU 37 -2.054 -3.830 0.433 271 HA GLU 37 HA GLU 37 -3.715 -1.724 1.646 272 1HB GLU 37 2HB GLU 37 -1.843 -2.217 3.575 273 2HB GLU 37 1HB GLU 37 -3.490 -2.844 3.582 274 1HG GLU 37 2HG GLU 37 -2.792 -4.931 2.738 275 2HG GLU 37 1HG GLU 37 -1.189 -4.321 2.338 276 H ARG 38 H ARG 38 -2.410 0.073 2.583 277 HA ARG 38 HA ARG 38 0.223 0.433 1.383 278 1HB ARG 38 2HB ARG 38 -2.016 2.408 0.921 279 2HB ARG 38 1HB ARG 38 -0.357 2.564 0.362 280 1HG ARG 38 2HG ARG 38 -1.317 1.800 -1.543 281 2HG ARG 38 1HG ARG 38 -0.914 0.253 -0.796 282 1HD ARG 38 2HD ARG 38 -3.070 -0.254 -1.104 283 2HD ARG 38 1HD ARG 38 -3.373 0.801 0.275 284 HE ARG 38 HE ARG 38 -3.391 2.522 -1.796 285 1HH1 ARG 38 1HH1 ARG 38 -5.031 -0.509 -1.242 286 2HH1 ARG 38 2HH1 ARG 38 -6.406 -0.084 -2.205 287 1HH2 ARG 38 1HH2 ARG 38 -5.199 3.082 -3.060 288 2HH2 ARG 38 2HH2 ARG 38 -6.501 1.954 -3.237 289 H GLY 39 H GLY 39 0.814 2.956 1.934 290 1HA GLY 39 2HA GLY 39 -0.107 4.138 4.269 291 2HA GLY 39 1HA GLY 39 1.118 2.978 4.757 292 H CYS 40 H CYS 40 2.910 4.077 5.230 293 HA CYS 40 HA CYS 40 4.098 5.749 3.170 294 1HB CYS 40 2HB CYS 40 2.776 6.859 5.460 295 2HB CYS 40 1HB CYS 40 4.508 7.179 5.588 296 H GLY 41 H GLY 41 6.022 4.832 2.912 297 1HA GLY 41 2HA GLY 41 8.219 4.928 4.346 298 2HA GLY 41 1HA GLY 41 7.383 3.645 5.220 299 H CYS 42 H CYS 42 9.009 2.137 4.693 300 HA CYS 42 HA CYS 42 8.570 0.813 2.185 301 1HB CYS 42 2HB CYS 42 10.206 2.560 1.538 302 2HB CYS 42 1HB CYS 42 11.330 1.922 2.742 303 HA PRO 43 HA PRO 43 10.042 -1.806 5.772 304 1HB PRO 43 2HB PRO 43 7.747 -3.035 6.406 305 2HB PRO 43 1HB PRO 43 8.131 -1.416 7.020 306 1HG PRO 43 2HG PRO 43 6.350 -2.213 4.746 307 2HG PRO 43 1HG PRO 43 6.085 -0.984 6.002 308 1HD PRO 43 2HD PRO 43 6.969 -0.430 3.455 309 2HD PRO 43 1HD PRO 43 7.289 0.598 4.869 310 H LYS 44 H LYS 44 9.203 -4.331 6.013 311 HA LYS 44 HA LYS 44 9.120 -5.479 3.311 312 1HB LYS 44 2HB LYS 44 11.297 -5.649 5.237 313 2HB LYS 44 1HB LYS 44 10.710 -7.238 4.766 314 1HG LYS 44 2HG LYS 44 11.832 -7.111 2.866 315 2HG LYS 44 1HG LYS 44 10.955 -5.646 2.423 316 1HD LYS 44 2HD LYS 44 13.032 -4.747 2.455 317 2HD LYS 44 1HD LYS 44 12.700 -4.611 4.183 318 1HE LYS 44 2HE LYS 44 13.814 -7.191 3.315 319 2HE LYS 44 1HE LYS 44 14.892 -5.808 3.127 320 1HZ LYS 44 1HZ LYS 44 14.780 -5.344 5.415 321 2HZ LYS 44 2HZ LYS 44 15.001 -7.017 5.315 322 3HZ LYS 44 3HZ LYS 44 13.471 -6.386 5.660 323 H VAL 45 H VAL 45 9.055 -8.088 3.761 324 HA VAL 45 HA VAL 45 7.358 -8.783 5.985 325 HB VAL 45 HB VAL 45 5.548 -9.695 4.452 326 1HG1 VAL 45 1HG1 VAL 45 5.629 -7.462 5.861 327 2HG1 VAL 45 2HG1 VAL 45 4.266 -7.840 4.808 328 3HG1 VAL 45 3HG1 VAL 45 5.522 -6.730 4.261 329 1HG2 VAL 45 1HG2 VAL 45 6.564 -7.636 2.511 330 2HG2 VAL 45 2HG2 VAL 45 5.295 -8.837 2.271 331 3HG2 VAL 45 3HG2 VAL 45 6.980 -9.345 2.383 332 H LYS 46 H LYS 46 6.714 -11.115 5.883 333 HA LYS 46 HA LYS 46 8.954 -12.669 5.088 334 1HB LYS 46 2HB LYS 46 6.478 -13.155 6.667 335 2HB LYS 46 1HB LYS 46 7.333 -14.544 6.010 336 1HG LYS 46 2HG LYS 46 9.040 -12.605 7.394 337 2HG LYS 46 1HG LYS 46 7.842 -13.403 8.415 338 1HD LYS 46 2HD LYS 46 9.292 -15.174 6.567 339 2HD LYS 46 1HD LYS 46 10.283 -14.429 7.822 340 1HE LYS 46 2HE LYS 46 9.389 -16.601 8.530 341 2HE LYS 46 1HE LYS 46 8.795 -15.283 9.538 342 1HZ LYS 46 1HZ LYS 46 7.156 -17.060 8.683 343 2HZ LYS 46 2HZ LYS 46 7.210 -16.196 7.231 344 3HZ LYS 46 3HZ LYS 46 6.691 -15.433 8.649 345 HA PRO 47 HA PRO 47 7.976 -14.140 1.067 346 1HB PRO 47 2HB PRO 47 8.064 -16.868 2.198 347 2HB PRO 47 1HB PRO 47 8.985 -16.165 0.878 348 1HG PRO 47 2HG PRO 47 9.883 -16.600 3.466 349 2HG PRO 47 1HG PRO 47 10.682 -15.637 2.221 350 1HD PRO 47 2HD PRO 47 9.515 -14.721 4.636 351 2HD PRO 47 1HD PRO 47 10.192 -13.748 3.319 352 H GLY 48 H GLY 48 6.067 -14.320 0.078 353 1HA GLY 48 2HA GLY 48 4.074 -15.838 -0.148 354 2HA GLY 48 1HA GLY 48 3.836 -15.553 1.576 355 H VAL 49 H VAL 49 4.625 -12.741 1.372 356 HA VAL 49 HA VAL 49 2.183 -11.701 0.088 357 HB VAL 49 HB VAL 49 3.694 -10.449 2.385 358 1HG1 VAL 49 1HG1 VAL 49 2.510 -8.663 1.748 359 2HG1 VAL 49 2HG1 VAL 49 1.119 -9.509 2.424 360 3HG1 VAL 49 3HG1 VAL 49 1.464 -9.618 0.697 361 1HG2 VAL 49 1HG2 VAL 49 1.041 -11.825 2.632 362 2HG2 VAL 49 2HG2 VAL 49 2.180 -11.372 3.900 363 3HG2 VAL 49 3HG2 VAL 49 2.553 -12.713 2.817 364 H ASN 50 H ASN 50 2.328 -9.926 -1.244 365 HA ASN 50 HA ASN 50 5.032 -9.218 -2.100 366 1HB ASN 50 2HB ASN 50 2.612 -8.197 -3.516 367 2HB ASN 50 1HB ASN 50 4.173 -8.686 -4.172 368 1HD2 ASN 50 1HD2 ASN 50 0.982 -9.625 -3.455 369 2HD2 ASN 50 2HD2 ASN 50 1.102 -11.278 -3.974 370 H LEU 51 H LEU 51 5.735 -7.087 -2.298 371 HA LEU 51 HA LEU 51 4.116 -4.886 -1.430 372 1HB LEU 51 2HB LEU 51 4.675 -5.741 0.738 373 2HB LEU 51 1HB LEU 51 6.359 -5.930 0.291 374 HG LEU 51 HG LEU 51 6.316 -3.347 -0.014 375 1HD1 LEU 51 1HD1 LEU 51 4.147 -3.536 2.036 376 2HD1 LEU 51 2HD1 LEU 51 3.762 -3.406 0.320 377 3HD1 LEU 51 3HD1 LEU 51 4.693 -2.135 1.114 378 1HD2 LEU 51 1HD2 LEU 51 7.361 -3.207 1.990 379 2HD2 LEU 51 2HD2 LEU 51 7.260 -4.965 1.882 380 3HD2 LEU 51 3HD2 LEU 51 6.081 -4.072 2.843 381 H ASN 52 H ASN 52 5.043 -2.872 -1.969 382 HA ASN 52 HA ASN 52 7.777 -2.776 -2.903 383 1HB ASN 52 2HB ASN 52 7.430 -2.404 -5.169 384 2HB ASN 52 1HB ASN 52 6.259 -3.666 -4.809 385 1HD2 ASN 52 1HD2 ASN 52 4.116 -2.557 -3.891 386 2HD2 ASN 52 2HD2 ASN 52 3.482 -1.341 -4.943 387 H CYS 53 H CYS 53 8.659 -0.844 -2.582 388 HA CYS 53 HA CYS 53 6.984 1.340 -1.637 389 1HB CYS 53 2HB CYS 53 9.953 1.566 -1.812 390 2HB CYS 53 1HB CYS 53 8.848 2.129 -0.563 391 H CYS 54 H CYS 54 7.104 3.455 -2.488 392 HA CYS 54 HA CYS 54 8.529 3.909 -4.975 393 1HB CYS 54 2HB CYS 54 6.297 4.759 -6.004 394 2HB CYS 54 1HB CYS 54 6.664 3.034 -6.057 395 H ARG 55 H ARG 55 8.486 6.032 -5.693 396 HA ARG 55 HA ARG 55 7.968 7.934 -3.529 397 1HB ARG 55 2HB ARG 55 9.903 8.827 -5.459 398 2HB ARG 55 1HB ARG 55 10.074 8.597 -3.728 399 1HG ARG 55 2HG ARG 55 10.393 6.129 -4.268 400 2HG ARG 55 1HG ARG 55 10.627 6.659 -5.937 401 1HD ARG 55 2HD ARG 55 12.268 7.327 -3.506 402 2HD ARG 55 1HD ARG 55 12.783 6.521 -4.987 403 HE ARG 55 HE ARG 55 11.855 9.062 -5.656 404 1HH1 ARG 55 1HH1 ARG 55 14.488 7.598 -3.898 405 2HH1 ARG 55 2HH1 ARG 55 15.587 8.899 -4.212 406 1HH2 ARG 55 1HH2 ARG 55 13.300 10.777 -6.071 407 2HH2 ARG 55 2HH2 ARG 55 14.913 10.704 -5.445 408 H THR 56 H THR 56 5.944 7.329 -5.397 409 HA THR 56 HA THR 56 5.808 9.875 -6.868 410 HB THR 56 HB THR 56 4.158 7.816 -8.068 411 HG1 THR 56 1HG THR 56 5.646 6.311 -7.577 412 1HG2 THR 56 1HG2 THR 56 5.598 10.051 -8.899 413 2HG2 THR 56 2HG2 THR 56 4.623 8.967 -9.893 414 3HG2 THR 56 3HG2 THR 56 6.352 8.674 -9.701 415 H ASP 57 H ASP 57 3.789 10.893 -6.940 416 HA ASP 57 HA ASP 57 2.171 10.609 -4.677 417 1HB ASP 57 2HB ASP 57 0.621 12.154 -5.908 418 2HB ASP 57 1HB ASP 57 2.286 12.724 -5.807 419 H ARG 58 H ARG 58 0.572 9.235 -4.221 420 HA ARG 58 HA ARG 58 -1.017 7.617 -4.432 421 1HB ARG 58 2HB ARG 58 -1.387 9.013 -7.085 422 2HB ARG 58 1HB ARG 58 -2.440 7.718 -6.518 423 1HG ARG 58 2HG ARG 58 -2.918 9.115 -4.497 424 2HG ARG 58 1HG ARG 58 -2.037 10.428 -5.279 425 1HD ARG 58 2HD ARG 58 -3.607 10.148 -7.237 426 2HD ARG 58 1HD ARG 58 -4.562 9.080 -6.211 427 HE ARG 58 HE ARG 58 -4.103 11.545 -4.905 428 1HH1 ARG 58 1HH1 ARG 58 -5.980 10.124 -7.480 429 2HH1 ARG 58 2HH1 ARG 58 -7.270 11.269 -7.341 430 1HH2 ARG 58 1HH2 ARG 58 -5.798 13.053 -4.720 431 2HH2 ARG 58 2HH2 ARG 58 -7.167 12.934 -5.775 432 H CYS 59 H CYS 59 1.778 7.187 -5.392 433 HA CYS 59 HA CYS 59 1.827 5.554 -7.661 434 1HB CYS 59 2HB CYS 59 4.001 4.848 -6.891 435 2HB CYS 59 1HB CYS 59 3.816 6.572 -6.577 436 H ASN 60 H ASN 60 0.917 4.906 -4.364 437 HA ASN 60 HA ASN 60 0.855 2.021 -4.856 438 1HB ASN 60 2HB ASN 60 0.416 1.822 -2.446 439 2HB ASN 60 1HB ASN 60 1.870 2.771 -2.759 440 1HD2 ASN 60 1HD2 ASN 60 1.602 3.594 -0.620 441 2HD2 ASN 60 2HD2 ASN 60 0.480 4.885 -0.318 442 H ASN 61 H ASN 61 -1.046 4.003 -6.060 443 HA ASN 61 HA ASN 61 -3.558 3.753 -4.803 444 1HB ASN 61 2HB ASN 61 -4.460 4.674 -6.832 445 2HB ASN 61 1HB ASN 61 -2.946 5.491 -6.487 446 1HD2 ASN 61 1HD2 ASN 61 -4.492 3.061 -8.480 447 2HD2 ASN 61 2HD2 ASN 61 -3.339 3.120 -9.777 Start of MODEL 7 1 1H LEU 1 1HT LEU 1 4.720 14.901 0.618 2 2H LEU 1 2HT LEU 1 3.764 13.959 1.687 3 3H LEU 1 3HT LEU 1 3.144 15.424 1.041 4 HA LEU 1 HA LEU 1 3.209 14.501 -1.153 5 1HB LEU 1 2HB LEU 1 5.064 12.834 -0.138 6 2HB LEU 1 1HB LEU 1 3.661 11.786 -0.052 7 HG LEU 1 HG LEU 1 4.159 13.174 -2.630 8 1HD1 LEU 1 1HD1 LEU 1 5.687 10.688 -1.927 9 2HD1 LEU 1 2HD1 LEU 1 6.383 12.301 -1.762 10 3HD1 LEU 1 3HD1 LEU 1 5.860 11.724 -3.344 11 1HD2 LEU 1 1HD2 LEU 1 2.820 11.574 -3.449 12 2HD2 LEU 1 2HD2 LEU 1 2.374 11.308 -1.764 13 3HD2 LEU 1 3HD2 LEU 1 3.607 10.299 -2.519 14 H GLU 2 H GLU 2 1.426 13.203 -1.977 15 HA GLU 2 HA GLU 2 -0.621 12.714 0.087 16 1HB GLU 2 2HB GLU 2 -0.680 14.274 -2.355 17 2HB GLU 2 1HB GLU 2 -1.935 13.043 -2.364 18 1HG GLU 2 2HG GLU 2 -2.684 13.867 -0.149 19 2HG GLU 2 1HG GLU 2 -1.504 15.170 -0.282 20 H CYS 3 H CYS 3 0.293 10.529 0.209 21 HA CYS 3 HA CYS 3 0.034 8.792 -2.063 22 1HB CYS 3 2HB CYS 3 0.610 8.223 0.852 23 2HB CYS 3 1HB CYS 3 0.686 7.030 -0.442 24 H HIS 4 H HIS 4 -1.029 6.499 -1.206 25 HA HIS 4 HA HIS 4 -3.807 7.211 -0.526 26 1HB HIS 4 2HB HIS 4 -2.731 5.020 -2.310 27 2HB HIS 4 1HB HIS 4 -4.416 5.115 -1.788 28 HD1 HIS 4 1HD HIS 4 -5.473 7.668 -2.390 29 HD2 HIS 4 2HD HIS 4 -2.379 6.163 -4.721 30 HE1 HIS 4 1HE HIS 4 -5.574 8.953 -4.547 31 HE2 HIS 4 2HE HIS 4 -3.771 7.941 -5.987 32 H ASN 5 H ASN 5 -5.053 5.433 0.514 33 HA ASN 5 HA ASN 5 -3.573 3.413 1.937 34 1HB ASN 5 2HB ASN 5 -4.195 4.207 4.190 35 2HB ASN 5 1HB ASN 5 -3.124 5.344 3.365 36 1HD2 ASN 5 1HD2 ASN 5 -3.943 6.858 4.949 37 2HD2 ASN 5 2HD2 ASN 5 -5.445 7.672 4.644 38 H GLN 6 H GLN 6 -5.509 3.002 0.130 39 HA GLN 6 HA GLN 6 -7.968 2.494 1.657 40 1HB GLN 6 2HB GLN 6 -8.906 2.033 -0.691 41 2HB GLN 6 1HB GLN 6 -8.547 3.700 -0.264 42 1HG GLN 6 2HG GLN 6 -6.843 3.863 -1.744 43 2HG GLN 6 1HG GLN 6 -6.394 2.166 -1.584 44 1HE2 GLN 6 1HE2 GLN 6 -7.446 4.317 -3.722 45 2HE2 GLN 6 2HE2 GLN 6 -8.396 3.303 -4.763 46 H GLN 7 H GLN 7 -8.073 0.524 2.506 47 HA GLN 7 HA GLN 7 -6.549 -1.668 1.446 48 1HB GLN 7 2HB GLN 7 -7.760 -2.927 3.304 49 2HB GLN 7 1HB GLN 7 -6.682 -1.632 3.793 50 1HG GLN 7 2HG GLN 7 -9.481 -0.848 3.371 51 2HG GLN 7 1HG GLN 7 -9.197 -1.959 4.709 52 1HE2 GLN 7 1HE2 GLN 7 -7.017 -1.259 5.898 53 2HE2 GLN 7 2HE2 GLN 7 -7.023 0.401 6.409 54 H SER 8 H SER 8 -7.849 -3.877 1.456 55 HA SER 8 HA SER 8 -9.286 -5.228 0.334 56 1HB SER 8 2HB SER 8 -11.050 -4.397 1.699 57 2HB SER 8 1HB SER 8 -11.102 -2.863 0.821 58 HG SER 8 HG SER 8 -11.648 -5.346 -0.424 59 H SER 9 H SER 9 -10.616 -2.244 -1.028 60 HA SER 9 HA SER 9 -9.104 -2.105 -3.359 61 1HB SER 9 2HB SER 9 -10.541 -4.416 -3.460 62 2HB SER 9 1HB SER 9 -11.661 -3.298 -4.237 63 HG SER 9 HG SER 9 -9.165 -4.193 -5.074 64 H GLN 10 H GLN 10 -12.643 -2.171 -2.924 65 HA GLN 10 HA GLN 10 -13.033 0.302 -4.240 66 1HB GLN 10 2HB GLN 10 -14.718 -1.595 -2.704 67 2HB GLN 10 1HB GLN 10 -15.321 0.054 -2.867 68 1HG GLN 10 2HG GLN 10 -14.340 -1.085 -5.362 69 2HG GLN 10 1HG GLN 10 -15.687 -1.979 -4.655 70 1HE2 GLN 10 1HE2 GLN 10 -17.417 -0.374 -3.734 71 2HE2 GLN 10 2HE2 GLN 10 -17.921 0.852 -4.856 72 H ALA 11 H ALA 11 -14.617 1.905 -2.868 73 HA ALA 11 HA ALA 11 -14.643 3.637 -1.394 74 1HB ALA 11 1HB ALA 11 -13.223 2.106 0.705 75 2HB ALA 11 2HB ALA 11 -14.742 1.437 0.110 76 3HB ALA 11 3HB ALA 11 -14.704 3.060 0.800 77 HA PRO 12 HA PRO 12 -10.167 4.477 -2.673 78 1HB PRO 12 2HB PRO 12 -11.707 7.011 -3.114 79 2HB PRO 12 1HB PRO 12 -10.364 6.336 -4.050 80 1HG PRO 12 2HG PRO 12 -12.809 6.045 -4.967 81 2HG PRO 12 1HG PRO 12 -11.695 4.656 -4.981 82 1HD PRO 12 2HD PRO 12 -13.971 5.236 -3.123 83 2HD PRO 12 1HD PRO 12 -13.450 3.685 -3.822 84 H THR 13 H THR 13 -8.681 5.972 -1.704 85 HA THR 13 HA THR 13 -9.533 7.703 0.424 86 HB THR 13 HB THR 13 -7.659 5.568 1.341 87 HG1 THR 13 1HG THR 13 -10.477 5.285 1.405 88 1HG2 THR 13 1HG2 THR 13 -8.878 5.930 3.481 89 2HG2 THR 13 2HG2 THR 13 -9.759 7.239 2.692 90 3HG2 THR 13 3HG2 THR 13 -8.008 7.343 2.881 91 H THR 14 H THR 14 -7.689 8.828 1.443 92 HA THR 14 HA THR 14 -5.095 8.599 0.228 93 HB THR 14 HB THR 14 -6.333 11.282 -0.185 94 HG1 THR 14 1HG THR 14 -7.502 10.668 -1.821 95 1HG2 THR 14 1HG2 THR 14 -3.927 10.863 -0.636 96 2HG2 THR 14 2HG2 THR 14 -4.839 11.442 -2.031 97 3HG2 THR 14 3HG2 THR 14 -4.413 9.735 -1.902 98 H LYS 15 H LYS 15 -3.502 9.862 1.276 99 HA LYS 15 HA LYS 15 -4.326 11.506 3.533 100 1HB LYS 15 2HB LYS 15 -3.511 8.793 3.847 101 2HB LYS 15 1HB LYS 15 -2.242 9.817 4.501 102 1HG LYS 15 2HG LYS 15 -4.897 10.672 5.315 103 2HG LYS 15 1HG LYS 15 -4.530 9.017 5.803 104 1HD LYS 15 2HD LYS 15 -3.272 9.782 7.469 105 2HD LYS 15 1HD LYS 15 -2.232 10.611 6.310 106 1HE LYS 15 2HE LYS 15 -3.295 12.621 6.587 107 2HE LYS 15 1HE LYS 15 -4.827 11.872 7.033 108 1HZ LYS 15 1HZ LYS 15 -2.563 12.599 8.699 109 2HZ LYS 15 2HZ LYS 15 -3.300 11.123 9.075 110 3HZ LYS 15 3HZ LYS 15 -4.213 12.548 9.074 111 H THR 16 H THR 16 -1.921 11.847 4.779 112 HA THR 16 HA THR 16 0.093 12.460 2.778 113 HB THR 16 HB THR 16 -0.944 14.676 4.543 114 HG1 THR 16 1HG THR 16 -2.143 15.382 2.846 115 1HG2 THR 16 1HG2 THR 16 0.287 15.388 2.020 116 2HG2 THR 16 2HG2 THR 16 1.381 14.512 3.090 117 3HG2 THR 16 3HG2 THR 16 0.599 15.991 3.648 118 H CYS 17 H CYS 17 2.134 12.453 3.591 119 HA CYS 17 HA CYS 17 2.391 12.088 6.503 120 1HB CYS 17 2HB CYS 17 4.080 10.934 4.273 121 2HB CYS 17 1HB CYS 17 4.424 10.751 5.995 122 H SER 18 H SER 18 3.368 13.703 7.512 123 HA SER 18 HA SER 18 5.097 15.504 5.980 124 1HB SER 18 2HB SER 18 4.862 16.744 8.360 125 2HB SER 18 1HB SER 18 3.681 16.929 7.064 126 HG SER 18 HG SER 18 3.523 15.066 9.203 127 H GLY 19 H GLY 19 5.994 12.870 6.858 128 1HA GLY 19 2HA GLY 19 8.359 13.766 8.341 129 2HA GLY 19 1HA GLY 19 7.438 12.414 8.995 130 H GLU 20 H GLU 20 6.822 10.917 6.849 131 HA GLU 20 HA GLU 20 9.265 9.607 6.278 132 1HB GLU 20 2HB GLU 20 6.413 9.220 5.633 133 2HB GLU 20 1HB GLU 20 7.539 8.557 4.448 134 1HG GLU 20 2HG GLU 20 7.488 6.755 5.769 135 2HG GLU 20 1HG GLU 20 8.647 7.661 6.741 136 H THR 21 H THR 21 9.371 8.872 3.724 137 HA THR 21 HA THR 21 9.503 11.361 2.166 138 HB THR 21 HB THR 21 11.600 9.187 2.223 139 HG1 THR 21 1HG THR 21 11.770 10.464 4.043 140 1HG2 THR 21 1HG2 THR 21 12.000 9.969 0.152 141 2HG2 THR 21 2HG2 THR 21 12.829 11.242 1.049 142 3HG2 THR 21 3HG2 THR 21 11.190 11.506 0.453 143 H ASN 22 H ASN 22 9.812 7.837 1.865 144 HA ASN 22 HA ASN 22 8.404 8.005 -0.707 145 1HB ASN 22 2HB ASN 22 9.336 5.516 -0.781 146 2HB ASN 22 1HB ASN 22 10.323 6.890 -1.271 147 1HD2 ASN 22 1HD2 ASN 22 9.478 5.012 1.600 148 2HD2 ASN 22 2HD2 ASN 22 11.071 5.017 2.291 149 H CYS 23 H CYS 23 6.869 6.316 -1.220 150 HA CYS 23 HA CYS 23 5.490 5.286 1.167 151 1HB CYS 23 2HB CYS 23 4.512 6.537 -1.362 152 2HB CYS 23 1HB CYS 23 3.520 5.284 -0.618 153 H TYR 24 H TYR 24 3.765 3.497 0.026 154 HA TYR 24 HA TYR 24 5.133 1.822 -1.861 155 1HB TYR 24 2HB TYR 24 5.442 -0.112 -0.422 156 2HB TYR 24 1HB TYR 24 6.350 1.264 0.205 157 HD1 TYR 24 1HD TYR 24 6.129 1.845 2.446 158 HD2 TYR 24 2HD TYR 24 3.090 -0.505 0.620 159 HE1 TYR 24 1HE TYR 24 5.045 1.558 4.634 160 HE2 TYR 24 2HE TYR 24 1.995 -0.795 2.800 161 HH TYR 24 HH TYR 24 1.893 0.276 4.968 162 H LYS 25 H LYS 25 4.009 -0.447 -1.819 163 HA LYS 25 HA LYS 25 1.188 -0.358 -1.195 164 1HB LYS 25 2HB LYS 25 1.763 0.695 -3.582 165 2HB LYS 25 1HB LYS 25 1.780 -1.002 -4.046 166 1HG LYS 25 2HG LYS 25 -0.531 -0.009 -2.474 167 2HG LYS 25 1HG LYS 25 -0.409 0.459 -4.171 168 1HD LYS 25 2HD LYS 25 0.129 -2.199 -4.315 169 2HD LYS 25 1HD LYS 25 -1.005 -2.155 -2.964 170 1HE LYS 25 2HE LYS 25 -2.737 -1.730 -4.308 171 2HE LYS 25 1HE LYS 25 -1.853 -0.482 -5.185 172 1HZ LYS 25 1HZ LYS 25 -1.247 -1.916 -6.790 173 2HZ LYS 25 2HZ LYS 25 -2.601 -2.786 -6.271 174 3HZ LYS 25 3HZ LYS 25 -1.060 -3.222 -5.731 175 H LYS 26 H LYS 26 0.744 -2.305 -0.394 176 HA LYS 26 HA LYS 26 2.291 -4.600 -1.405 177 1HB LYS 26 2HB LYS 26 1.446 -5.446 1.034 178 2HB LYS 26 1HB LYS 26 3.004 -4.708 0.724 179 1HG LYS 26 2HG LYS 26 2.303 -2.618 1.546 180 2HG LYS 26 1HG LYS 26 0.605 -3.095 1.518 181 1HD LYS 26 2HD LYS 26 1.039 -4.739 3.279 182 2HD LYS 26 1HD LYS 26 2.738 -4.266 3.304 183 1HE LYS 26 2HE LYS 26 2.261 -2.165 4.207 184 2HE LYS 26 1HE LYS 26 0.559 -2.257 3.757 185 1HZ LYS 26 1HZ LYS 26 0.167 -2.981 5.800 186 2HZ LYS 26 2HZ LYS 26 1.817 -3.087 6.155 187 3HZ LYS 26 3HZ LYS 26 1.021 -4.397 5.440 188 H TRP 27 H TRP 27 1.269 -6.633 -1.491 189 HA TRP 27 HA TRP 27 -1.534 -6.900 -0.987 190 1HB TRP 27 2HB TRP 27 -2.131 -7.522 -3.323 191 2HB TRP 27 1HB TRP 27 -1.773 -5.832 -3.116 192 HD1 TRP 27 HD TRP 27 -0.748 -8.835 -4.959 193 HE1 TRP 27 1HE TRP 27 1.113 -8.267 -6.623 194 HE3 TRP 27 3HE TRP 27 0.350 -4.120 -3.359 195 HZ2 TRP 27 2HZ TRP 27 2.837 -6.107 -7.198 196 HZ3 TRP 27 3HZ TRP 27 2.117 -2.866 -4.525 197 HH2 TRP 27 HH TRP 27 3.334 -3.839 -6.401 198 H TRP 28 H TRP 28 -2.315 -9.040 -1.406 199 HA TRP 28 HA TRP 28 -0.373 -11.086 -2.084 200 1HB TRP 28 2HB TRP 28 -0.695 -12.297 0.080 201 2HB TRP 28 1HB TRP 28 0.155 -10.766 0.256 202 HD1 TRP 28 HD TRP 28 -3.018 -12.518 1.232 203 HE1 TRP 28 1HE TRP 28 -4.290 -11.041 2.876 204 HE3 TRP 28 3HE TRP 28 -0.238 -8.252 0.869 205 HZ2 TRP 28 2HZ TRP 28 -4.164 -8.430 3.929 206 HZ3 TRP 28 3HZ TRP 28 -0.875 -6.309 2.233 207 HH2 TRP 28 HH TRP 28 -2.804 -6.397 3.732 208 H SER 29 H SER 29 -1.501 -13.338 -1.488 209 HA SER 29 HA SER 29 -4.331 -13.154 -2.275 210 1HB SER 29 2HB SER 29 -2.151 -14.301 -3.767 211 2HB SER 29 1HB SER 29 -3.310 -15.565 -3.338 212 HG SER 29 HG SER 29 -4.890 -14.490 -4.412 213 H ASP 30 H ASP 30 -5.285 -13.702 -0.392 214 HA ASP 30 HA ASP 30 -4.306 -16.048 1.064 215 1HB ASP 30 2HB ASP 30 -5.982 -15.267 2.811 216 2HB ASP 30 1HB ASP 30 -4.616 -14.188 2.511 217 H HIS 31 H HIS 31 -6.376 -17.132 2.250 218 HA HIS 31 HA HIS 31 -7.627 -18.681 0.291 219 1HB HIS 31 2HB HIS 31 -8.968 -19.605 2.088 220 2HB HIS 31 1HB HIS 31 -7.317 -19.374 2.652 221 HD1 HIS 31 1HD HIS 31 -6.954 -17.146 4.159 222 HD2 HIS 31 2HD HIS 31 -10.870 -18.435 3.644 223 HE1 HIS 31 1HE HIS 31 -8.279 -16.010 5.969 224 HE2 HIS 31 2HE HIS 31 -10.629 -16.874 5.691 225 H ARG 32 H ARG 32 -8.759 -15.830 2.039 226 HA ARG 32 HA ARG 32 -11.414 -15.891 1.055 227 1HB ARG 32 2HB ARG 32 -9.693 -13.910 2.457 228 2HB ARG 32 1HB ARG 32 -11.111 -13.290 1.612 229 1HG ARG 32 2HG ARG 32 -11.799 -15.604 3.179 230 2HG ARG 32 1HG ARG 32 -11.001 -14.387 4.176 231 1HD ARG 32 2HD ARG 32 -13.364 -13.887 2.367 232 2HD ARG 32 1HD ARG 32 -13.449 -14.107 4.115 233 HE ARG 32 HE ARG 32 -11.680 -11.994 3.299 234 1HH1 ARG 32 1HH1 ARG 32 -14.979 -12.824 4.073 235 2HH1 ARG 32 2HH1 ARG 32 -15.420 -11.204 4.493 236 1HH2 ARG 32 1HH2 ARG 32 -12.258 -9.862 3.852 237 2HH2 ARG 32 2HH2 ARG 32 -13.876 -9.521 4.367 238 H GLY 33 H GLY 33 -8.412 -14.583 -0.181 239 1HA GLY 33 2HA GLY 33 -8.889 -14.586 -2.811 240 2HA GLY 33 1HA GLY 33 -9.757 -13.135 -2.315 241 H THR 34 H THR 34 -8.622 -11.375 -2.752 242 HA THR 34 HA THR 34 -5.736 -11.391 -2.169 243 HB THR 34 HB THR 34 -6.972 -9.869 -4.461 244 HG1 THR 34 1HG THR 34 -5.724 -12.413 -4.499 245 1HG2 THR 34 1HG2 THR 34 -4.166 -10.766 -4.499 246 2HG2 THR 34 2HG2 THR 34 -4.567 -9.462 -3.382 247 3HG2 THR 34 3HG2 THR 34 -4.897 -9.280 -5.105 248 H ILE 35 H ILE 35 -4.868 -9.494 -1.334 249 HA ILE 35 HA ILE 35 -6.771 -7.330 -0.738 250 HB ILE 35 HB ILE 35 -4.765 -8.369 1.258 251 1HG1 ILE 35 2HG1 ILE 35 -7.752 -8.835 1.122 252 2HG1 ILE 35 1HG1 ILE 35 -6.504 -10.053 0.878 253 1HG2 ILE 35 1HG2 ILE 35 -6.943 -6.301 1.380 254 2HG2 ILE 35 2HG2 ILE 35 -5.216 -6.086 1.667 255 3HG2 ILE 35 3HG2 ILE 35 -6.195 -6.993 2.820 256 1HD1 ILE 35 1HD1 ILE 35 -6.061 -8.804 3.390 257 2HD1 ILE 35 2HD1 ILE 35 -6.490 -10.478 3.043 258 3HD1 ILE 35 3HD1 ILE 35 -7.756 -9.275 3.281 259 H ILE 36 H ILE 36 -5.781 -5.267 -0.273 260 HA ILE 36 HA ILE 36 -2.969 -4.990 -1.046 261 HB ILE 36 HB ILE 36 -3.577 -3.041 -2.510 262 1HG1 ILE 36 2HG1 ILE 36 -6.250 -4.031 -3.103 263 2HG1 ILE 36 1HG1 ILE 36 -6.121 -3.449 -1.447 264 1HG2 ILE 36 1HG2 ILE 36 -3.853 -5.868 -3.084 265 2HG2 ILE 36 2HG2 ILE 36 -3.056 -4.598 -4.011 266 3HG2 ILE 36 3HG2 ILE 36 -4.788 -4.870 -4.196 267 1HD1 ILE 36 1HD1 ILE 36 -6.837 -1.805 -3.270 268 2HD1 ILE 36 2HD1 ILE 36 -5.138 -1.804 -3.743 269 3HD1 ILE 36 3HD1 ILE 36 -5.602 -1.289 -2.121 270 H GLU 37 H GLU 37 -1.966 -3.728 0.437 271 HA GLU 37 HA GLU 37 -3.566 -1.625 1.744 272 1HB GLU 37 2HB GLU 37 -1.556 -2.088 3.533 273 2HB GLU 37 1HB GLU 37 -3.177 -2.766 3.644 274 1HG GLU 37 2HG GLU 37 -2.446 -4.812 2.629 275 2HG GLU 37 1HG GLU 37 -0.851 -4.134 2.312 276 H ARG 38 H ARG 38 -2.210 0.175 2.635 277 HA ARG 38 HA ARG 38 0.172 0.659 0.975 278 1HB ARG 38 2HB ARG 38 -1.682 2.909 1.669 279 2HB ARG 38 1HB ARG 38 -0.518 2.795 0.358 280 1HG ARG 38 2HG ARG 38 -2.353 0.760 -0.139 281 2HG ARG 38 1HG ARG 38 -3.322 2.136 0.391 282 1HD ARG 38 2HD ARG 38 -1.929 3.508 -1.266 283 2HD ARG 38 1HD ARG 38 -1.430 1.954 -1.932 284 HE ARG 38 HE ARG 38 -3.927 3.254 -2.325 285 1HH1 ARG 38 1HH1 ARG 38 -2.461 0.104 -1.999 286 2HH1 ARG 38 2HH1 ARG 38 -3.690 -0.699 -2.916 287 1HH2 ARG 38 1HH2 ARG 38 -5.542 2.200 -3.532 288 2HH2 ARG 38 2HH2 ARG 38 -5.439 0.489 -3.788 289 H GLY 39 H GLY 39 1.115 2.952 1.867 290 1HA GLY 39 2HA GLY 39 0.964 3.676 4.513 291 2HA GLY 39 1HA GLY 39 2.068 2.310 4.488 292 H CYS 40 H CYS 40 3.163 4.499 5.413 293 HA CYS 40 HA CYS 40 4.585 5.754 3.165 294 1HB CYS 40 2HB CYS 40 3.707 6.724 5.831 295 2HB CYS 40 1HB CYS 40 5.262 7.318 5.244 296 H GLY 41 H GLY 41 6.356 4.542 2.782 297 1HA GLY 41 2HA GLY 41 8.687 4.671 4.058 298 2HA GLY 41 1HA GLY 41 7.875 3.426 5.006 299 H CYS 42 H CYS 42 9.431 1.885 4.404 300 HA CYS 42 HA CYS 42 8.810 0.507 1.962 301 1HB CYS 42 2HB CYS 42 10.496 2.283 1.293 302 2HB CYS 42 1HB CYS 42 11.663 1.438 2.313 303 HA PRO 43 HA PRO 43 10.359 -2.065 5.529 304 1HB PRO 43 2HB PRO 43 8.093 -3.367 6.119 305 2HB PRO 43 1HB PRO 43 8.407 -1.732 6.728 306 1HG PRO 43 2HG PRO 43 6.713 -2.605 4.416 307 2HG PRO 43 1HG PRO 43 6.371 -1.382 5.658 308 1HD PRO 43 2HD PRO 43 7.294 -0.800 3.136 309 2HD PRO 43 1HD PRO 43 7.556 0.238 4.556 310 H LYS 44 H LYS 44 9.650 -4.600 5.794 311 HA LYS 44 HA LYS 44 10.251 -5.765 3.177 312 1HB LYS 44 2HB LYS 44 10.963 -7.750 4.451 313 2HB LYS 44 1HB LYS 44 11.822 -6.300 4.950 314 1HG LYS 44 2HG LYS 44 11.269 -6.792 7.035 315 2HG LYS 44 1HG LYS 44 9.602 -6.402 6.605 316 1HD LYS 44 2HD LYS 44 9.687 -8.906 5.688 317 2HD LYS 44 1HD LYS 44 10.912 -9.038 6.952 318 1HE LYS 44 2HE LYS 44 9.316 -8.193 8.595 319 2HE LYS 44 1HE LYS 44 8.095 -8.027 7.334 320 1HZ LYS 44 1HZ LYS 44 9.035 -10.409 8.702 321 2HZ LYS 44 2HZ LYS 44 8.754 -10.584 7.044 322 3HZ LYS 44 3HZ LYS 44 7.509 -10.058 8.061 323 H VAL 45 H VAL 45 9.429 -8.305 3.367 324 HA VAL 45 HA VAL 45 6.650 -8.381 4.214 325 HB VAL 45 HB VAL 45 5.933 -9.237 1.948 326 1HG1 VAL 45 1HG1 VAL 45 5.134 -7.191 1.437 327 2HG1 VAL 45 2HG1 VAL 45 6.726 -6.435 1.496 328 3HG1 VAL 45 3HG1 VAL 45 5.849 -6.758 2.990 329 1HG2 VAL 45 1HG2 VAL 45 7.677 -9.683 0.590 330 2HG2 VAL 45 2HG2 VAL 45 8.722 -8.491 1.362 331 3HG2 VAL 45 3HG2 VAL 45 7.528 -7.977 0.171 332 H LYS 46 H LYS 46 5.709 -10.532 4.032 333 HA LYS 46 HA LYS 46 7.605 -12.546 4.708 334 1HB LYS 46 2HB LYS 46 4.644 -12.282 4.745 335 2HB LYS 46 1HB LYS 46 5.315 -13.906 4.732 336 1HG LYS 46 2HG LYS 46 6.592 -12.158 6.681 337 2HG LYS 46 1HG LYS 46 4.861 -12.364 6.953 338 1HD LYS 46 2HD LYS 46 5.053 -14.631 7.323 339 2HD LYS 46 1HD LYS 46 6.541 -14.764 6.385 340 1HE LYS 46 2HE LYS 46 6.791 -13.037 8.725 341 2HE LYS 46 1HE LYS 46 6.371 -14.702 9.124 342 1HZ LYS 46 1HZ LYS 46 8.775 -13.674 7.767 343 2HZ LYS 46 2HZ LYS 46 8.279 -15.270 7.509 344 3HZ LYS 46 3HZ LYS 46 8.661 -14.746 9.071 345 HA PRO 47 HA PRO 47 7.718 -14.736 0.888 346 1HB PRO 47 2HB PRO 47 7.290 -17.371 1.723 347 2HB PRO 47 1HB PRO 47 8.826 -16.529 1.672 348 1HG PRO 47 2HG PRO 47 7.347 -17.355 3.936 349 2HG PRO 47 1HG PRO 47 8.927 -16.578 3.882 350 1HD PRO 47 2HD PRO 47 6.359 -15.447 4.569 351 2HD PRO 47 1HD PRO 47 7.977 -14.737 4.715 352 H GLY 48 H GLY 48 5.881 -13.965 -0.145 353 1HA GLY 48 2HA GLY 48 4.140 -15.471 -1.403 354 2HA GLY 48 1HA GLY 48 3.374 -15.445 0.184 355 H VAL 49 H VAL 49 3.769 -12.902 0.998 356 HA VAL 49 HA VAL 49 1.872 -11.458 -0.607 357 HB VAL 49 HB VAL 49 1.639 -11.317 1.766 358 1HG1 VAL 49 1HG1 VAL 49 3.633 -9.922 2.901 359 2HG1 VAL 49 2HG1 VAL 49 4.536 -10.834 1.691 360 3HG1 VAL 49 3HG1 VAL 49 3.550 -11.683 2.880 361 1HG2 VAL 49 1HG2 VAL 49 2.792 -8.632 1.142 362 2HG2 VAL 49 2HG2 VAL 49 1.316 -9.042 2.016 363 3HG2 VAL 49 3HG2 VAL 49 1.379 -9.209 0.263 364 H ASN 50 H ASN 50 2.239 -9.734 -1.907 365 HA ASN 50 HA ASN 50 5.021 -9.137 -2.555 366 1HB ASN 50 2HB ASN 50 2.572 -8.136 -4.004 367 2HB ASN 50 1HB ASN 50 4.223 -8.249 -4.614 368 1HD2 ASN 50 1HD2 ASN 50 1.379 -10.066 -3.690 369 2HD2 ASN 50 2HD2 ASN 50 1.771 -11.501 -4.585 370 H LEU 51 H LEU 51 5.702 -6.936 -2.938 371 HA LEU 51 HA LEU 51 4.196 -4.748 -1.857 372 1HB LEU 51 2HB LEU 51 4.978 -5.624 0.225 373 2HB LEU 51 1HB LEU 51 6.599 -5.839 -0.406 374 HG LEU 51 HG LEU 51 6.572 -3.252 -0.681 375 1HD1 LEU 51 1HD1 LEU 51 4.615 -3.447 1.577 376 2HD1 LEU 51 2HD1 LEU 51 4.079 -3.245 -0.091 377 3HD1 LEU 51 3HD1 LEU 51 5.113 -2.027 0.656 378 1HD2 LEU 51 1HD2 LEU 51 6.632 -4.155 2.161 379 2HD2 LEU 51 2HD2 LEU 51 7.733 -3.081 1.297 380 3HD2 LEU 51 3HD2 LEU 51 7.788 -4.821 1.005 381 H ASN 52 H ASN 52 5.066 -2.732 -2.456 382 HA ASN 52 HA ASN 52 7.665 -2.646 -3.727 383 1HB ASN 52 2HB ASN 52 7.037 -2.285 -5.906 384 2HB ASN 52 1HB ASN 52 5.768 -3.395 -5.407 385 1HD2 ASN 52 1HD2 ASN 52 3.912 -2.029 -4.223 386 2HD2 ASN 52 2HD2 ASN 52 3.319 -0.725 -5.186 387 H CYS 53 H CYS 53 8.620 -0.825 -3.149 388 HA CYS 53 HA CYS 53 7.056 1.366 -2.077 389 1HB CYS 53 2HB CYS 53 10.052 1.321 -2.320 390 2HB CYS 53 1HB CYS 53 9.049 2.132 -1.125 391 H CYS 54 H CYS 54 7.379 3.557 -2.763 392 HA CYS 54 HA CYS 54 8.723 4.143 -5.231 393 1HB CYS 54 2HB CYS 54 6.458 5.023 -6.214 394 2HB CYS 54 1HB CYS 54 6.908 3.329 -6.418 395 H ARG 55 H ARG 55 8.671 6.309 -5.813 396 HA ARG 55 HA ARG 55 8.018 8.079 -3.574 397 1HB ARG 55 2HB ARG 55 10.072 9.097 -5.300 398 2HB ARG 55 1HB ARG 55 10.132 8.743 -3.582 399 1HG ARG 55 2HG ARG 55 10.512 6.325 -4.268 400 2HG ARG 55 1HG ARG 55 10.835 6.964 -5.883 401 1HD ARG 55 2HD ARG 55 12.323 7.505 -3.324 402 2HD ARG 55 1HD ARG 55 12.932 6.761 -4.803 403 HE ARG 55 HE ARG 55 12.023 9.349 -5.380 404 1HH1 ARG 55 1HH1 ARG 55 14.607 7.735 -3.679 405 2HH1 ARG 55 2HH1 ARG 55 15.735 9.029 -3.907 406 1HH2 ARG 55 1HH2 ARG 55 13.507 11.054 -5.681 407 2HH2 ARG 55 2HH2 ARG 55 15.111 10.914 -5.042 408 H THR 56 H THR 56 6.161 7.541 -5.662 409 HA THR 56 HA THR 56 6.120 10.163 -7.010 410 HB THR 56 HB THR 56 4.763 7.768 -8.195 411 HG1 THR 56 1HG THR 56 7.455 8.483 -8.700 412 1HG2 THR 56 1HG2 THR 56 5.769 9.124 -10.262 413 2HG2 THR 56 2HG2 THR 56 5.576 10.446 -9.110 414 3HG2 THR 56 3HG2 THR 56 4.186 9.457 -9.561 415 H ASP 57 H ASP 57 4.014 11.064 -7.404 416 HA ASP 57 HA ASP 57 2.267 10.800 -5.194 417 1HB ASP 57 2HB ASP 57 2.692 12.740 -7.041 418 2HB ASP 57 1HB ASP 57 1.188 12.045 -7.652 419 H ARG 58 H ARG 58 0.605 9.470 -4.860 420 HA ARG 58 HA ARG 58 -0.962 7.850 -5.182 421 1HB ARG 58 2HB ARG 58 -1.077 9.022 -7.970 422 2HB ARG 58 1HB ARG 58 -2.273 7.933 -7.267 423 1HG ARG 58 2HG ARG 58 -2.664 9.655 -5.492 424 2HG ARG 58 1HG ARG 58 -1.633 10.746 -6.418 425 1HD ARG 58 2HD ARG 58 -3.420 9.758 -8.291 426 2HD ARG 58 1HD ARG 58 -4.403 9.992 -6.845 427 HE ARG 58 HE ARG 58 -2.950 12.299 -7.089 428 1HH1 ARG 58 1HH1 ARG 58 -5.171 10.541 -9.129 429 2HH1 ARG 58 2HH1 ARG 58 -5.745 11.959 -9.939 430 1HH2 ARG 58 1HH2 ARG 58 -3.704 14.165 -8.154 431 2HH2 ARG 58 2HH2 ARG 58 -4.912 14.017 -9.386 432 H CYS 59 H CYS 59 1.880 7.328 -5.760 433 HA CYS 59 HA CYS 59 2.137 5.639 -8.000 434 1HB CYS 59 2HB CYS 59 4.269 5.088 -7.139 435 2HB CYS 59 1HB CYS 59 3.986 6.764 -6.677 436 H ASN 60 H ASN 60 0.977 5.113 -4.757 437 HA ASN 60 HA ASN 60 0.905 2.210 -5.186 438 1HB ASN 60 2HB ASN 60 0.367 2.073 -2.780 439 2HB ASN 60 1HB ASN 60 1.874 2.945 -3.070 440 1HD2 ASN 60 1HD2 ASN 60 1.382 3.659 -0.841 441 2HD2 ASN 60 2HD2 ASN 60 0.394 5.074 -0.647 442 H ASN 61 H ASN 61 -0.926 4.284 -6.422 443 HA ASN 61 HA ASN 61 -3.476 4.067 -5.243 444 1HB ASN 61 2HB ASN 61 -4.299 4.931 -7.380 445 2HB ASN 61 1HB ASN 61 -2.890 5.833 -6.842 446 1HD2 ASN 61 1HD2 ASN 61 -3.527 6.094 -9.390 447 2HD2 ASN 61 2HD2 ASN 61 -2.439 5.210 -10.415 Start of MODEL 8 1 1H LEU 1 1HT LEU 1 4.409 15.503 -1.740 2 2H LEU 1 2HT LEU 1 5.363 15.342 -3.157 3 3H LEU 1 3HT LEU 1 5.382 14.109 -1.963 4 HA LEU 1 HA LEU 1 3.242 14.846 -3.819 5 1HB LEU 1 2HB LEU 1 3.427 12.539 -4.476 6 2HB LEU 1 1HB LEU 1 5.013 13.286 -4.531 7 HG LEU 1 HG LEU 1 4.437 12.022 -1.972 8 1HD1 LEU 1 1HD1 LEU 1 3.459 10.178 -2.783 9 2HD1 LEU 1 2HD1 LEU 1 5.073 9.763 -3.362 10 3HD1 LEU 1 3HD1 LEU 1 3.921 10.546 -4.445 11 1HD2 LEU 1 1HD2 LEU 1 6.662 11.623 -1.991 12 2HD2 LEU 1 2HD2 LEU 1 6.638 12.877 -3.231 13 3HD2 LEU 1 3HD2 LEU 1 6.679 11.176 -3.697 14 H GLU 2 H GLU 2 1.527 12.918 -3.596 15 HA GLU 2 HA GLU 2 0.836 12.563 -0.769 16 1HB GLU 2 2HB GLU 2 -1.071 13.585 -2.882 17 2HB GLU 2 1HB GLU 2 -1.502 13.183 -1.225 18 1HG GLU 2 2HG GLU 2 -0.874 15.176 -0.491 19 2HG GLU 2 1HG GLU 2 0.685 15.062 -1.306 20 H CYS 3 H CYS 3 0.613 10.450 -0.438 21 HA CYS 3 HA CYS 3 0.105 8.639 -2.607 22 1HB CYS 3 2HB CYS 3 0.176 7.940 0.325 23 2HB CYS 3 1HB CYS 3 0.556 6.914 -1.054 24 H HIS 4 H HIS 4 -1.420 6.671 -1.319 25 HA HIS 4 HA HIS 4 -4.046 7.997 -1.170 26 1HB HIS 4 2HB HIS 4 -3.214 5.364 -2.366 27 2HB HIS 4 1HB HIS 4 -4.896 5.695 -1.945 28 HD1 HIS 4 1HD HIS 4 -5.736 8.130 -3.079 29 HD2 HIS 4 2HD HIS 4 -2.666 6.019 -4.923 30 HE1 HIS 4 1HE HIS 4 -5.651 8.995 -5.436 31 HE2 HIS 4 2HE HIS 4 -3.872 7.613 -6.567 32 H ASN 5 H ASN 5 -2.023 5.432 0.125 33 HA ASN 5 HA ASN 5 -2.226 4.074 1.954 34 1HB ASN 5 2HB ASN 5 -2.594 5.328 4.053 35 2HB ASN 5 1HB ASN 5 -1.469 6.148 2.965 36 1HD2 ASN 5 1HD2 ASN 5 -1.826 8.203 2.533 37 2HD2 ASN 5 2HD2 ASN 5 -3.304 9.062 2.841 38 H GLN 6 H GLN 6 -4.408 3.621 0.376 39 HA GLN 6 HA GLN 6 -6.575 3.310 2.351 40 1HB GLN 6 2HB GLN 6 -8.165 3.347 0.435 41 2HB GLN 6 1HB GLN 6 -7.319 4.869 0.670 42 1HG GLN 6 2HG GLN 6 -6.561 4.819 -1.403 43 2HG GLN 6 1HG GLN 6 -5.826 3.242 -1.129 44 1HE2 GLN 6 1HE2 GLN 6 -6.646 3.681 -3.582 45 2HE2 GLN 6 2HE2 GLN 6 -8.114 2.827 -3.937 46 H GLN 7 H GLN 7 -5.886 1.271 2.999 47 HA GLN 7 HA GLN 7 -5.402 -0.818 1.088 48 1HB GLN 7 2HB GLN 7 -5.367 -2.238 3.208 49 2HB GLN 7 1HB GLN 7 -4.135 -0.997 3.060 50 1HG GLN 7 2HG GLN 7 -5.167 0.374 4.644 51 2HG GLN 7 1HG GLN 7 -6.695 -0.500 4.534 52 1HE2 GLN 7 1HE2 GLN 7 -7.040 -1.357 6.460 53 2HE2 GLN 7 2HE2 GLN 7 -5.898 -2.299 7.368 54 H SER 8 H SER 8 -6.614 -2.822 1.016 55 HA SER 8 HA SER 8 -8.526 -4.014 0.710 56 1HB SER 8 2HB SER 8 -8.780 -2.772 3.324 57 2HB SER 8 1HB SER 8 -10.360 -3.018 2.573 58 HG SER 8 HG SER 8 -9.520 -5.232 2.143 59 H SER 9 H SER 9 -11.194 -3.429 0.864 60 HA SER 9 HA SER 9 -11.450 -1.423 -1.245 61 1HB SER 9 2HB SER 9 -12.400 -3.803 -1.419 62 2HB SER 9 1HB SER 9 -13.637 -3.262 -0.285 63 HG SER 9 HG SER 9 -13.244 -2.592 -2.949 64 H GLN 10 H GLN 10 -11.160 -0.815 1.693 65 HA GLN 10 HA GLN 10 -13.680 0.172 2.591 66 1HB GLN 10 2HB GLN 10 -10.862 0.322 3.518 67 2HB GLN 10 1HB GLN 10 -11.981 1.541 4.125 68 1HG GLN 10 2HG GLN 10 -13.049 -1.157 4.248 69 2HG GLN 10 1HG GLN 10 -11.563 -0.957 5.177 70 1HE2 GLN 10 1HE2 GLN 10 -13.264 -1.489 6.866 71 2HE2 GLN 10 2HE2 GLN 10 -14.047 -0.135 7.618 72 H ALA 11 H ALA 11 -13.475 2.660 3.421 73 HA ALA 11 HA ALA 11 -13.960 4.245 1.194 74 1HB ALA 11 1HB ALA 11 -14.522 4.606 3.707 75 2HB ALA 11 2HB ALA 11 -14.282 6.001 2.656 76 3HB ALA 11 3HB ALA 11 -12.990 5.477 3.736 77 HA PRO 12 HA PRO 12 -9.718 4.562 -0.387 78 1HB PRO 12 2HB PRO 12 -11.227 6.683 -1.877 79 2HB PRO 12 1HB PRO 12 -10.019 5.535 -2.475 80 1HG PRO 12 2HG PRO 12 -12.557 5.032 -2.919 81 2HG PRO 12 1HG PRO 12 -11.493 3.726 -2.346 82 1HD PRO 12 2HD PRO 12 -13.525 5.317 -0.824 83 2HD PRO 12 1HD PRO 12 -13.133 3.585 -0.717 84 H THR 13 H THR 13 -8.238 6.479 -0.773 85 HA THR 13 HA THR 13 -8.825 8.909 0.660 86 HB THR 13 HB THR 13 -6.358 7.939 1.786 87 HG1 THR 13 1HG THR 13 -8.619 6.365 2.435 88 1HG2 THR 13 1HG2 THR 13 -8.858 9.144 2.709 89 2HG2 THR 13 2HG2 THR 13 -7.191 9.453 3.196 90 3HG2 THR 13 3HG2 THR 13 -8.068 8.081 3.874 91 H THR 14 H THR 14 -7.542 10.588 0.015 92 HA THR 14 HA THR 14 -5.364 9.938 -1.861 93 HB THR 14 HB THR 14 -7.168 12.345 -2.037 94 HG1 THR 14 1HG THR 14 -8.525 11.191 -3.134 95 1HG2 THR 14 1HG2 THR 14 -4.759 11.815 -3.303 96 2HG2 THR 14 2HG2 THR 14 -5.958 13.025 -3.757 97 3HG2 THR 14 3HG2 THR 14 -5.996 11.424 -4.497 98 H LYS 15 H LYS 15 -6.000 11.225 1.095 99 HA LYS 15 HA LYS 15 -4.282 13.529 0.990 100 1HB LYS 15 2HB LYS 15 -6.279 13.070 2.585 101 2HB LYS 15 1HB LYS 15 -5.113 12.147 3.521 102 1HG LYS 15 2HG LYS 15 -3.837 14.036 4.021 103 2HG LYS 15 1HG LYS 15 -4.576 14.985 2.729 104 1HD LYS 15 2HD LYS 15 -6.650 14.124 4.464 105 2HD LYS 15 1HD LYS 15 -5.352 14.784 5.463 106 1HE LYS 15 2HE LYS 15 -6.318 16.761 5.019 107 2HE LYS 15 1HE LYS 15 -5.478 16.628 3.474 108 1HZ LYS 15 1HZ LYS 15 -7.501 15.550 2.582 109 2HZ LYS 15 2HZ LYS 15 -7.756 17.150 3.068 110 3HZ LYS 15 3HZ LYS 15 -8.293 15.877 4.042 111 H THR 16 H THR 16 -2.317 13.757 2.225 112 HA THR 16 HA THR 16 -0.588 11.477 1.903 113 HB THR 16 HB THR 16 0.459 13.834 3.333 114 HG1 THR 16 1HG THR 16 -0.536 15.182 2.071 115 1HG2 THR 16 1HG2 THR 16 2.195 12.611 2.544 116 2HG2 THR 16 2HG2 THR 16 1.962 13.691 1.171 117 3HG2 THR 16 3HG2 THR 16 1.309 12.054 1.125 118 H CYS 17 H CYS 17 1.194 11.512 3.881 119 HA CYS 17 HA CYS 17 -0.353 10.526 6.152 120 1HB CYS 17 2HB CYS 17 2.619 10.289 5.644 121 2HB CYS 17 1HB CYS 17 1.676 9.403 6.844 122 H SER 18 H SER 18 1.252 10.775 8.267 123 HA SER 18 HA SER 18 0.864 13.409 9.121 124 1HB SER 18 2HB SER 18 1.744 12.726 11.158 125 2HB SER 18 1HB SER 18 1.240 11.187 10.466 126 HG SER 18 HG SER 18 3.730 12.066 11.108 127 H GLY 19 H GLY 19 3.927 11.743 8.351 128 1HA GLY 19 2HA GLY 19 5.025 13.988 7.016 129 2HA GLY 19 1HA GLY 19 5.625 13.924 8.672 130 H GLU 20 H GLU 20 5.090 11.655 5.967 131 HA GLU 20 HA GLU 20 7.643 10.375 6.654 132 1HB GLU 20 2HB GLU 20 5.079 9.404 5.601 133 2HB GLU 20 1HB GLU 20 6.490 8.749 4.769 134 1HG GLU 20 2HG GLU 20 6.309 7.202 6.406 135 2HG GLU 20 1HG GLU 20 7.305 8.376 7.265 136 H THR 21 H THR 21 8.372 9.173 4.364 137 HA THR 21 HA THR 21 8.761 11.409 2.488 138 HB THR 21 HB THR 21 10.710 9.166 3.008 139 HG1 THR 21 1HG THR 21 11.821 10.602 4.288 140 1HG2 THR 21 1HG2 THR 21 11.815 9.950 1.268 141 2HG2 THR 21 2HG2 THR 21 11.996 11.489 2.109 142 3HG2 THR 21 3HG2 THR 21 10.620 11.226 1.036 143 H ASN 22 H ASN 22 9.304 7.899 2.450 144 HA ASN 22 HA ASN 22 8.148 7.818 -0.245 145 1HB ASN 22 2HB ASN 22 9.420 5.397 0.921 146 2HB ASN 22 1HB ASN 22 9.495 6.031 -0.724 147 1HD2 ASN 22 1HD2 ASN 22 11.379 5.279 1.706 148 2HD2 ASN 22 2HD2 ASN 22 12.606 6.501 1.584 149 H CYS 23 H CYS 23 6.722 6.082 -0.831 150 HA CYS 23 HA CYS 23 5.095 5.104 1.417 151 1HB CYS 23 2HB CYS 23 4.364 6.364 -1.168 152 2HB CYS 23 1HB CYS 23 3.366 5.006 -0.653 153 H TYR 24 H TYR 24 3.549 3.236 0.175 154 HA TYR 24 HA TYR 24 5.166 1.554 -1.513 155 1HB TYR 24 2HB TYR 24 5.204 -0.364 0.057 156 2HB TYR 24 1HB TYR 24 6.171 1.002 0.613 157 HD1 TYR 24 1HD TYR 24 5.927 1.707 2.805 158 HD2 TYR 24 2HD TYR 24 2.736 -0.425 0.970 159 HE1 TYR 24 1HE TYR 24 4.716 1.691 4.945 160 HE2 TYR 24 2HE TYR 24 1.515 -0.446 3.105 161 HH TYR 24 HH TYR 24 2.836 0.067 5.983 162 H LYS 25 H LYS 25 4.095 -0.693 -1.678 163 HA LYS 25 HA LYS 25 1.212 -0.668 -1.372 164 1HB LYS 25 2HB LYS 25 2.121 0.354 -3.695 165 2HB LYS 25 1HB LYS 25 2.116 -1.357 -4.113 166 1HG LYS 25 2HG LYS 25 -0.299 -0.095 -2.887 167 2HG LYS 25 1HG LYS 25 0.031 0.076 -4.611 168 1HD LYS 25 2HD LYS 25 0.393 -2.575 -4.323 169 2HD LYS 25 1HD LYS 25 -0.808 -2.293 -3.062 170 1HE LYS 25 2HE LYS 25 -2.344 -2.424 -4.673 171 2HE LYS 25 1HE LYS 25 -1.766 -0.849 -5.216 172 1HZ LYS 25 1HZ LYS 25 -1.361 -3.475 -6.383 173 2HZ LYS 25 2HZ LYS 25 -0.006 -2.463 -6.394 174 3HZ LYS 25 3HZ LYS 25 -1.444 -1.959 -7.129 175 H LYS 26 H LYS 26 0.688 -2.623 -0.636 176 HA LYS 26 HA LYS 26 2.340 -4.913 -1.473 177 1HB LYS 26 2HB LYS 26 1.261 -5.726 0.900 178 2HB LYS 26 1HB LYS 26 2.866 -5.047 0.704 179 1HG LYS 26 2HG LYS 26 2.115 -2.880 1.365 180 2HG LYS 26 1HG LYS 26 0.432 -3.409 1.354 181 1HD LYS 26 2HD LYS 26 0.973 -5.017 3.161 182 2HD LYS 26 1HD LYS 26 2.611 -4.362 3.209 183 1HE LYS 26 2HE LYS 26 0.679 -2.237 3.363 184 2HE LYS 26 1HE LYS 26 0.355 -3.447 4.602 185 1HZ LYS 26 1HZ LYS 26 3.121 -2.565 4.239 186 2HZ LYS 26 2HZ LYS 26 2.317 -3.043 5.648 187 3HZ LYS 26 3HZ LYS 26 2.047 -1.504 5.004 188 H TRP 27 H TRP 27 1.316 -6.927 -1.717 189 HA TRP 27 HA TRP 27 -1.524 -7.182 -1.436 190 1HB TRP 27 2HB TRP 27 -1.968 -7.696 -3.819 191 2HB TRP 27 1HB TRP 27 -1.547 -6.025 -3.553 192 HD1 TRP 27 HD TRP 27 -0.549 -9.028 -5.411 193 HE1 TRP 27 1HE TRP 27 1.454 -8.510 -6.921 194 HE3 TRP 27 3HE TRP 27 0.673 -4.440 -3.569 195 HZ2 TRP 27 2HZ TRP 27 3.325 -6.426 -7.295 196 HZ3 TRP 27 3HZ TRP 27 2.579 -3.241 -4.557 197 HH2 TRP 27 HH TRP 27 3.877 -4.214 -6.381 198 H TRP 28 H TRP 28 -2.293 -9.306 -2.247 199 HA TRP 28 HA TRP 28 -0.326 -11.357 -2.717 200 1HB TRP 28 2HB TRP 28 -0.995 -12.671 -0.669 201 2HB TRP 28 1HB TRP 28 -0.038 -11.231 -0.340 202 HD1 TRP 28 HD TRP 28 -3.484 -12.685 0.156 203 HE1 TRP 28 1HE TRP 28 -4.758 -11.197 1.786 204 HE3 TRP 28 3HE TRP 28 -0.203 -8.776 0.482 205 HZ2 TRP 28 2HZ TRP 28 -4.459 -8.713 3.077 206 HZ3 TRP 28 3HZ TRP 28 -0.777 -6.883 1.942 207 HH2 TRP 28 HH TRP 28 -2.865 -6.855 3.213 208 H SER 29 H SER 29 -1.476 -13.591 -2.539 209 HA SER 29 HA SER 29 -4.235 -13.319 -3.539 210 1HB SER 29 2HB SER 29 -2.198 -13.961 -5.171 211 2HB SER 29 1HB SER 29 -2.585 -15.573 -4.557 212 HG SER 29 HG SER 29 -3.878 -14.134 -6.399 213 H ASP 30 H ASP 30 -5.219 -13.921 -1.635 214 HA ASP 30 HA ASP 30 -4.390 -16.277 -0.202 215 1HB ASP 30 2HB ASP 30 -5.698 -14.020 0.547 216 2HB ASP 30 1HB ASP 30 -7.053 -15.136 0.376 217 H HIS 31 H HIS 31 -6.885 -17.340 0.531 218 HA HIS 31 HA HIS 31 -7.363 -19.058 -1.726 219 1HB HIS 31 2HB HIS 31 -9.029 -20.136 -0.147 220 2HB HIS 31 1HB HIS 31 -7.355 -20.127 0.397 221 HD1 HIS 31 1HD HIS 31 -10.455 -17.959 0.868 222 HD2 HIS 31 2HD HIS 31 -7.105 -19.272 2.947 223 HE1 HIS 31 1HE HIS 31 -10.713 -17.053 3.199 224 HE2 HIS 31 2HE HIS 31 -8.721 -17.938 4.463 225 H ARG 32 H ARG 32 -8.982 -16.381 -0.173 226 HA ARG 32 HA ARG 32 -11.473 -16.775 -1.557 227 1HB ARG 32 2HB ARG 32 -10.371 -14.837 0.389 228 2HB ARG 32 1HB ARG 32 -11.616 -14.214 -0.695 229 1HG ARG 32 2HG ARG 32 -12.948 -16.311 0.017 230 2HG ARG 32 1HG ARG 32 -11.812 -16.369 1.368 231 1HD ARG 32 2HD ARG 32 -13.260 -13.837 0.686 232 2HD ARG 32 1HD ARG 32 -14.040 -15.087 1.654 233 HE ARG 32 HE ARG 32 -11.920 -13.319 2.474 234 1HH1 ARG 32 1HH1 ARG 32 -13.526 -16.356 3.089 235 2HH1 ARG 32 2HH1 ARG 32 -13.024 -16.430 4.744 236 1HH2 ARG 32 1HH2 ARG 32 -11.260 -13.413 4.652 237 2HH2 ARG 32 2HH2 ARG 32 -11.739 -14.759 5.632 238 H GLY 33 H GLY 33 -8.567 -14.862 -2.014 239 1HA GLY 33 2HA GLY 33 -8.752 -14.610 -4.745 240 2HA GLY 33 1HA GLY 33 -9.639 -13.227 -4.106 241 H THR 34 H THR 34 -8.455 -11.448 -4.076 242 HA THR 34 HA THR 34 -5.674 -11.618 -3.163 243 HB THR 34 HB THR 34 -5.772 -11.558 -5.678 244 HG1 THR 34 1HG THR 34 -3.893 -10.819 -4.964 245 1HG2 THR 34 1HG2 THR 34 -7.702 -9.693 -5.451 246 2HG2 THR 34 2HG2 THR 34 -6.687 -9.905 -6.878 247 3HG2 THR 34 3HG2 THR 34 -6.283 -8.671 -5.683 248 H ILE 35 H ILE 35 -4.873 -9.762 -2.150 249 HA ILE 35 HA ILE 35 -6.810 -7.598 -1.673 250 HB ILE 35 HB ILE 35 -5.086 -8.734 0.522 251 1HG1 ILE 35 2HG1 ILE 35 -8.038 -9.234 0.097 252 2HG1 ILE 35 1HG1 ILE 35 -6.777 -10.394 -0.311 253 1HG2 ILE 35 1HG2 ILE 35 -7.416 -6.824 0.512 254 2HG2 ILE 35 2HG2 ILE 35 -5.731 -6.441 0.863 255 3HG2 ILE 35 3HG2 ILE 35 -6.648 -7.468 1.964 256 1HD1 ILE 35 1HD1 ILE 35 -6.875 -11.172 1.752 257 2HD1 ILE 35 2HD1 ILE 35 -8.060 -9.939 2.186 258 3HD1 ILE 35 3HD1 ILE 35 -6.336 -9.605 2.356 259 H ILE 36 H ILE 36 -5.852 -5.570 -1.031 260 HA ILE 36 HA ILE 36 -2.951 -5.376 -1.385 261 HB ILE 36 HB ILE 36 -3.141 -3.501 -2.926 262 1HG1 ILE 36 2HG1 ILE 36 -6.114 -4.069 -2.855 263 2HG1 ILE 36 1HG1 ILE 36 -5.318 -2.632 -2.225 264 1HG2 ILE 36 1HG2 ILE 36 -3.513 -6.154 -3.538 265 2HG2 ILE 36 2HG2 ILE 36 -3.133 -4.871 -4.686 266 3HG2 ILE 36 3HG2 ILE 36 -4.808 -5.355 -4.427 267 1HD1 ILE 36 1HD1 ILE 36 -4.924 -3.296 -5.088 268 2HD1 ILE 36 2HD1 ILE 36 -5.016 -1.728 -4.287 269 3HD1 ILE 36 3HD1 ILE 36 -6.487 -2.655 -4.580 270 H GLU 37 H GLU 37 -2.026 -4.029 0.046 271 HA GLU 37 HA GLU 37 -3.726 -2.019 1.357 272 1HB GLU 37 2HB GLU 37 -1.813 -2.528 3.236 273 2HB GLU 37 1HB GLU 37 -3.432 -3.225 3.237 274 1HG GLU 37 2HG GLU 37 -2.641 -5.234 2.239 275 2HG GLU 37 1HG GLU 37 -1.052 -4.532 1.943 276 H ARG 38 H ARG 38 -2.403 -0.255 2.398 277 HA ARG 38 HA ARG 38 0.162 0.229 1.091 278 1HB ARG 38 2HB ARG 38 -2.306 1.901 0.734 279 2HB ARG 38 1HB ARG 38 -0.711 2.625 0.610 280 1HG ARG 38 2HG ARG 38 -1.187 2.132 -1.584 281 2HG ARG 38 1HG ARG 38 -0.256 0.717 -1.092 282 1HD ARG 38 2HD ARG 38 -1.972 -0.636 -1.509 283 2HD ARG 38 1HD ARG 38 -3.054 0.343 -0.519 284 HE ARG 38 HE ARG 38 -3.041 0.223 -3.319 285 1HH1 ARG 38 1HH1 ARG 38 -3.147 2.640 -0.803 286 2HH1 ARG 38 2HH1 ARG 38 -4.102 3.737 -1.734 287 1HH2 ARG 38 1HH2 ARG 38 -4.322 1.652 -4.521 288 2HH2 ARG 38 2HH2 ARG 38 -4.770 3.180 -3.841 289 H GLY 39 H GLY 39 0.823 2.653 1.857 290 1HA GLY 39 2HA GLY 39 0.009 3.621 4.332 291 2HA GLY 39 1HA GLY 39 1.244 2.413 4.653 292 H CYS 40 H CYS 40 2.820 3.771 5.398 293 HA CYS 40 HA CYS 40 4.063 5.483 3.370 294 1HB CYS 40 2HB CYS 40 2.783 6.388 5.813 295 2HB CYS 40 1HB CYS 40 4.492 6.829 5.786 296 H GLY 41 H GLY 41 6.089 4.846 3.109 297 1HA GLY 41 2HA GLY 41 8.263 4.809 4.439 298 2HA GLY 41 1HA GLY 41 7.460 3.554 5.381 299 H CYS 42 H CYS 42 9.104 2.062 4.839 300 HA CYS 42 HA CYS 42 8.574 0.626 2.410 301 1HB CYS 42 2HB CYS 42 10.149 2.364 1.613 302 2HB CYS 42 1HB CYS 42 11.334 1.811 2.800 303 HA PRO 43 HA PRO 43 10.274 -1.779 6.057 304 1HB PRO 43 2HB PRO 43 8.029 -2.964 6.916 305 2HB PRO 43 1HB PRO 43 8.453 -1.316 7.411 306 1HG PRO 43 2HG PRO 43 6.519 -2.230 5.315 307 2HG PRO 43 1HG PRO 43 6.342 -0.933 6.515 308 1HD PRO 43 2HD PRO 43 7.044 -0.520 3.888 309 2HD PRO 43 1HD PRO 43 7.469 0.580 5.219 310 H LYS 44 H LYS 44 10.047 -4.208 6.418 311 HA LYS 44 HA LYS 44 10.204 -5.512 3.844 312 1HB LYS 44 2HB LYS 44 11.588 -5.846 6.142 313 2HB LYS 44 1HB LYS 44 10.395 -7.126 6.319 314 1HG LYS 44 2HG LYS 44 11.288 -8.374 4.671 315 2HG LYS 44 1HG LYS 44 11.728 -6.970 3.697 316 1HD LYS 44 2HD LYS 44 13.428 -6.625 5.733 317 2HD LYS 44 1HD LYS 44 13.257 -8.380 5.807 318 1HE LYS 44 2HE LYS 44 14.916 -8.347 4.284 319 2HE LYS 44 1HE LYS 44 13.598 -8.038 3.154 320 1HZ LYS 44 1HZ LYS 44 14.026 -5.616 3.554 321 2HZ LYS 44 2HZ LYS 44 15.254 -6.435 2.728 322 3HZ LYS 44 3HZ LYS 44 15.442 -6.061 4.367 323 H VAL 45 H VAL 45 9.358 -8.045 4.264 324 HA VAL 45 HA VAL 45 6.629 -8.005 5.251 325 HB VAL 45 HB VAL 45 5.791 -8.989 3.062 326 1HG1 VAL 45 1HG1 VAL 45 6.641 -6.097 3.137 327 2HG1 VAL 45 2HG1 VAL 45 5.154 -6.771 3.802 328 3HG1 VAL 45 3HG1 VAL 45 5.420 -6.771 2.058 329 1HG2 VAL 45 1HG2 VAL 45 8.385 -9.014 2.323 330 2HG2 VAL 45 2HG2 VAL 45 7.866 -7.491 1.601 331 3HG2 VAL 45 3HG2 VAL 45 7.041 -8.992 1.182 332 H LYS 46 H LYS 46 5.594 -10.216 4.905 333 HA LYS 46 HA LYS 46 7.430 -12.188 5.829 334 1HB LYS 46 2HB LYS 46 5.120 -13.577 5.555 335 2HB LYS 46 1HB LYS 46 5.538 -12.632 6.974 336 1HG LYS 46 2HG LYS 46 4.224 -10.784 6.198 337 2HG LYS 46 1HG LYS 46 3.921 -11.591 4.659 338 1HD LYS 46 2HD LYS 46 2.578 -13.251 5.695 339 2HD LYS 46 1HD LYS 46 3.092 -12.756 7.309 340 1HE LYS 46 2HE LYS 46 1.718 -10.926 7.334 341 2HE LYS 46 1HE LYS 46 1.754 -10.740 5.582 342 1HZ LYS 46 1HZ LYS 46 -0.308 -11.584 5.753 343 2HZ LYS 46 2HZ LYS 46 -0.014 -12.337 7.237 344 3HZ LYS 46 3HZ LYS 46 0.497 -13.072 5.803 345 HA PRO 47 HA PRO 47 7.928 -14.468 2.097 346 1HB PRO 47 2HB PRO 47 7.640 -17.083 2.985 347 2HB PRO 47 1HB PRO 47 9.096 -16.117 3.106 348 1HG PRO 47 2HG PRO 47 7.376 -17.008 5.181 349 2HG PRO 47 1HG PRO 47 8.912 -16.155 5.314 350 1HD PRO 47 2HD PRO 47 6.224 -15.136 5.629 351 2HD PRO 47 1HD PRO 47 7.774 -14.344 5.968 352 H GLY 48 H GLY 48 6.410 -14.273 0.570 353 1HA GLY 48 2HA GLY 48 4.810 -15.784 -0.639 354 2HA GLY 48 1HA GLY 48 3.924 -15.844 0.885 355 H VAL 49 H VAL 49 4.577 -12.944 1.338 356 HA VAL 49 HA VAL 49 2.345 -11.889 -0.220 357 HB VAL 49 HB VAL 49 3.806 -10.447 1.984 358 1HG1 VAL 49 1HG1 VAL 49 1.812 -9.162 2.187 359 2HG1 VAL 49 2HG1 VAL 49 0.936 -10.240 1.100 360 3HG1 VAL 49 3HG1 VAL 49 2.228 -9.216 0.473 361 1HG2 VAL 49 1HG2 VAL 49 3.116 -12.621 2.855 362 2HG2 VAL 49 2HG2 VAL 49 1.474 -12.341 2.277 363 3HG2 VAL 49 3HG2 VAL 49 2.145 -11.325 3.553 364 H ASN 50 H ASN 50 2.476 -9.925 -1.386 365 HA ASN 50 HA ASN 50 5.198 -9.311 -2.316 366 1HB ASN 50 2HB ASN 50 2.786 -8.334 -3.778 367 2HB ASN 50 1HB ASN 50 4.358 -8.822 -4.408 368 1HD2 ASN 50 1HD2 ASN 50 1.161 -9.742 -3.829 369 2HD2 ASN 50 2HD2 ASN 50 1.303 -11.415 -4.275 370 H LEU 51 H LEU 51 5.888 -7.180 -2.531 371 HA LEU 51 HA LEU 51 4.240 -4.973 -1.734 372 1HB LEU 51 2HB LEU 51 4.754 -5.782 0.459 373 2HB LEU 51 1HB LEU 51 6.449 -5.974 0.054 374 HG LEU 51 HG LEU 51 6.402 -3.396 -0.304 375 1HD1 LEU 51 1HD1 LEU 51 4.750 -2.171 0.767 376 2HD1 LEU 51 2HD1 LEU 51 4.190 -3.557 1.703 377 3HD1 LEU 51 3HD1 LEU 51 3.843 -3.459 -0.023 378 1HD2 LEU 51 1HD2 LEU 51 6.109 -4.084 2.561 379 2HD2 LEU 51 2HD2 LEU 51 7.391 -3.203 1.729 380 3HD2 LEU 51 3HD2 LEU 51 7.326 -4.964 1.634 381 H ASN 52 H ASN 52 5.169 -2.962 -2.250 382 HA ASN 52 HA ASN 52 7.907 -2.870 -3.182 383 1HB ASN 52 2HB ASN 52 7.553 -2.505 -5.434 384 2HB ASN 52 1HB ASN 52 6.303 -3.690 -5.085 385 1HD2 ASN 52 1HD2 ASN 52 4.280 -2.347 -4.056 386 2HD2 ASN 52 2HD2 ASN 52 3.712 -1.121 -5.131 387 H CYS 53 H CYS 53 8.772 -1.011 -2.571 388 HA CYS 53 HA CYS 53 7.091 1.144 -1.643 389 1HB CYS 53 2HB CYS 53 10.087 1.267 -1.786 390 2HB CYS 53 1HB CYS 53 8.997 1.991 -0.609 391 H CYS 54 H CYS 54 7.333 3.344 -2.345 392 HA CYS 54 HA CYS 54 8.772 3.958 -4.753 393 1HB CYS 54 2HB CYS 54 6.651 4.698 -5.963 394 2HB CYS 54 1HB CYS 54 6.980 2.967 -5.922 395 H ARG 55 H ARG 55 8.523 6.127 -5.431 396 HA ARG 55 HA ARG 55 7.695 7.902 -3.257 397 1HB ARG 55 2HB ARG 55 9.848 8.976 -4.810 398 2HB ARG 55 1HB ARG 55 9.777 8.632 -3.093 399 1HG ARG 55 2HG ARG 55 10.318 6.232 -3.707 400 2HG ARG 55 1HG ARG 55 10.725 6.860 -5.310 401 1HD ARG 55 2HD ARG 55 12.739 7.411 -4.557 402 2HD ARG 55 1HD ARG 55 11.995 8.525 -3.412 403 HE ARG 55 HE ARG 55 11.882 5.916 -2.373 404 1HH1 ARG 55 1HH1 ARG 55 14.198 8.433 -3.065 405 2HH1 ARG 55 2HH1 ARG 55 15.293 7.939 -1.819 406 1HH2 ARG 55 1HH2 ARG 55 13.320 5.266 -0.732 407 2HH2 ARG 55 2HH2 ARG 55 14.795 6.141 -0.493 408 H THR 56 H THR 56 6.093 7.213 -5.536 409 HA THR 56 HA THR 56 6.056 9.811 -6.931 410 HB THR 56 HB THR 56 4.699 8.124 -8.617 411 HG1 THR 56 1HG THR 56 5.492 6.183 -8.521 412 1HG2 THR 56 1HG2 THR 56 6.120 9.189 -9.936 413 2HG2 THR 56 2HG2 THR 56 7.300 7.942 -9.531 414 3HG2 THR 56 3HG2 THR 56 7.261 9.449 -8.618 415 H ASP 57 H ASP 57 4.006 10.698 -7.417 416 HA ASP 57 HA ASP 57 2.063 10.368 -5.410 417 1HB ASP 57 2HB ASP 57 2.477 12.425 -6.860 418 2HB ASP 57 1HB ASP 57 1.552 11.602 -8.118 419 H ARG 58 H ARG 58 0.456 8.950 -5.195 420 HA ARG 58 HA ARG 58 -1.019 7.271 -5.631 421 1HB ARG 58 2HB ARG 58 -0.967 8.204 -8.503 422 2HB ARG 58 1HB ARG 58 -2.268 7.353 -7.670 423 1HG ARG 58 2HG ARG 58 -2.631 9.316 -6.251 424 2HG ARG 58 1HG ARG 58 -1.342 10.164 -7.106 425 1HD ARG 58 2HD ARG 58 -3.002 9.246 -9.126 426 2HD ARG 58 1HD ARG 58 -4.115 9.750 -7.855 427 HE ARG 58 HE ARG 58 -2.053 11.672 -8.423 428 1HH1 ARG 58 1HH1 ARG 58 -5.231 10.536 -9.312 429 2HH1 ARG 58 2HH1 ARG 58 -5.715 12.049 -10.002 430 1HH2 ARG 58 1HH2 ARG 58 -2.689 13.663 -9.328 431 2HH2 ARG 58 2HH2 ARG 58 -4.273 13.824 -10.011 432 H CYS 59 H CYS 59 1.872 6.860 -5.929 433 HA CYS 59 HA CYS 59 2.331 5.092 -8.109 434 1HB CYS 59 2HB CYS 59 4.478 4.731 -7.115 435 2HB CYS 59 1HB CYS 59 4.085 6.439 -6.946 436 H ASN 60 H ASN 60 0.580 4.686 -5.279 437 HA ASN 60 HA ASN 60 1.089 1.782 -5.278 438 1HB ASN 60 2HB ASN 60 0.206 1.823 -2.936 439 2HB ASN 60 1HB ASN 60 1.709 2.722 -3.154 440 1HD2 ASN 60 1HD2 ASN 60 0.890 3.613 -1.065 441 2HD2 ASN 60 2HD2 ASN 60 -0.134 5.013 -1.150 442 H ASN 61 H ASN 61 -0.910 3.645 -6.770 443 HA ASN 61 HA ASN 61 -3.458 2.725 -5.819 444 1HB ASN 61 2HB ASN 61 -4.386 4.187 -7.348 445 2HB ASN 61 1HB ASN 61 -2.837 4.953 -7.055 446 1HD2 ASN 61 1HD2 ASN 61 -1.285 3.135 -8.606 447 2HD2 ASN 61 2HD2 ASN 61 -1.652 3.436 -10.274 Start of MODEL 9 1 1H LEU 1 1HT LEU 1 3.638 16.072 0.413 2 2H LEU 1 2HT LEU 1 5.281 15.679 0.108 3 3H LEU 1 3HT LEU 1 4.409 14.843 1.327 4 HA LEU 1 HA LEU 1 4.155 14.677 -1.583 5 1HB LEU 1 2HB LEU 1 5.700 13.288 0.003 6 2HB LEU 1 1HB LEU 1 4.218 12.463 0.436 7 HG LEU 1 HG LEU 1 5.834 11.574 -1.459 8 1HD1 LEU 1 1HD1 LEU 1 3.343 10.962 -2.534 9 2HD1 LEU 1 2HD1 LEU 1 3.065 11.227 -0.813 10 3HD1 LEU 1 3HD1 LEU 1 4.257 10.039 -1.341 11 1HD2 LEU 1 1HD2 LEU 1 5.711 13.555 -2.863 12 2HD2 LEU 1 2HD2 LEU 1 3.965 13.363 -2.998 13 3HD2 LEU 1 3HD2 LEU 1 5.040 12.150 -3.689 14 H GLU 2 H GLU 2 2.521 12.789 -2.059 15 HA GLU 2 HA GLU 2 0.133 12.933 -0.403 16 1HB GLU 2 2HB GLU 2 0.343 14.697 -2.476 17 2HB GLU 2 1HB GLU 2 -0.454 13.340 -3.260 18 1HG GLU 2 2HG GLU 2 -1.965 13.485 -1.076 19 2HG GLU 2 1HG GLU 2 -1.437 15.165 -1.153 20 H CYS 3 H CYS 3 0.448 10.732 -0.021 21 HA CYS 3 HA CYS 3 0.166 8.968 -2.357 22 1HB CYS 3 2HB CYS 3 1.618 8.735 0.216 23 2HB CYS 3 1HB CYS 3 0.844 7.264 -0.377 24 H HIS 4 H HIS 4 -0.817 6.721 -1.436 25 HA HIS 4 HA HIS 4 -3.464 7.474 -0.423 26 1HB HIS 4 2HB HIS 4 -2.484 5.077 -1.976 27 2HB HIS 4 1HB HIS 4 -4.099 5.161 -1.267 28 HD1 HIS 4 1HD HIS 4 -5.390 7.544 -2.075 29 HD2 HIS 4 2HD HIS 4 -2.495 5.878 -4.547 30 HE1 HIS 4 1HE HIS 4 -5.830 8.497 -4.359 31 HE2 HIS 4 2HE HIS 4 -4.141 7.383 -5.860 32 H ASN 5 H ASN 5 -4.490 5.323 0.675 33 HA ASN 5 HA ASN 5 -2.819 3.784 2.343 34 1HB ASN 5 2HB ASN 5 -3.273 4.836 4.512 35 2HB ASN 5 1HB ASN 5 -2.395 5.937 3.447 36 1HD2 ASN 5 1HD2 ASN 5 -3.574 7.627 2.416 37 2HD2 ASN 5 2HD2 ASN 5 -5.018 8.256 3.148 38 H GLN 6 H GLN 6 -4.875 3.033 0.780 39 HA GLN 6 HA GLN 6 -6.844 2.121 2.748 40 1HB GLN 6 2HB GLN 6 -8.698 2.530 1.204 41 2HB GLN 6 1HB GLN 6 -7.875 4.028 1.612 42 1HG GLN 6 2HG GLN 6 -8.200 4.236 -0.654 43 2HG GLN 6 1HG GLN 6 -6.551 3.623 -0.565 44 1HE2 GLN 6 1HE2 GLN 6 -7.117 3.101 -2.843 45 2HE2 GLN 6 2HE2 GLN 6 -7.853 1.559 -3.151 46 H GLN 7 H GLN 7 -8.127 0.266 1.959 47 HA GLN 7 HA GLN 7 -6.493 -1.430 0.207 48 1HB GLN 7 2HB GLN 7 -8.060 -3.228 1.348 49 2HB GLN 7 1HB GLN 7 -6.609 -2.645 2.146 50 1HG GLN 7 2HG GLN 7 -9.191 -1.251 2.645 51 2HG GLN 7 1HG GLN 7 -8.895 -2.809 3.414 52 1HE2 GLN 7 1HE2 GLN 7 -8.704 0.401 3.874 53 2HE2 GLN 7 2HE2 GLN 7 -7.428 0.467 5.051 54 H SER 8 H SER 8 -7.409 -2.517 -1.508 55 HA SER 8 HA SER 8 -9.500 -1.333 -2.884 56 1HB SER 8 2HB SER 8 -9.505 -3.346 -4.313 57 2HB SER 8 1HB SER 8 -7.862 -2.781 -3.979 58 HG SER 8 HG SER 8 -7.832 -4.391 -2.272 59 H SER 9 H SER 9 -11.570 -1.215 -2.412 60 HA SER 9 HA SER 9 -13.357 -3.260 -2.173 61 1HB SER 9 2HB SER 9 -13.750 -2.899 0.466 62 2HB SER 9 1HB SER 9 -12.737 -4.190 -0.179 63 HG SER 9 HG SER 9 -11.235 -3.308 0.988 64 H GLN 10 H GLN 10 -13.124 -0.662 0.230 65 HA GLN 10 HA GLN 10 -15.650 0.414 -0.685 66 1HB GLN 10 2HB GLN 10 -13.878 0.832 1.676 67 2HB GLN 10 1HB GLN 10 -15.048 2.086 1.265 68 1HG GLN 10 2HG GLN 10 -16.222 -0.553 1.239 69 2HG GLN 10 1HG GLN 10 -15.482 -0.174 2.793 70 1HE2 GLN 10 1HE2 GLN 10 -17.901 0.767 0.461 71 2HE2 GLN 10 2HE2 GLN 10 -18.828 1.770 1.533 72 H ALA 11 H ALA 11 -15.610 3.024 -0.392 73 HA ALA 11 HA ALA 11 -14.391 4.007 -2.712 74 1HB ALA 11 1HB ALA 11 -16.350 4.899 -1.093 75 2HB ALA 11 2HB ALA 11 -15.553 5.896 -2.309 76 3HB ALA 11 3HB ALA 11 -15.039 5.981 -0.624 77 HA PRO 12 HA PRO 12 -10.115 4.189 -1.245 78 1HB PRO 12 2HB PRO 12 -10.159 6.020 -3.621 79 2HB PRO 12 1HB PRO 12 -8.940 4.827 -3.147 80 1HG PRO 12 2HG PRO 12 -10.660 4.197 -5.033 81 2HG PRO 12 1HG PRO 12 -10.293 3.021 -3.749 82 1HD PRO 12 2HD PRO 12 -12.717 4.740 -4.105 83 2HD PRO 12 1HD PRO 12 -12.590 3.070 -3.506 84 H THR 13 H THR 13 -8.559 6.030 -0.830 85 HA THR 13 HA THR 13 -9.684 8.653 -0.436 86 HB THR 13 HB THR 13 -9.370 8.731 1.973 87 HG1 THR 13 1HG THR 13 -8.868 6.789 3.091 88 1HG2 THR 13 1HG2 THR 13 -11.146 7.367 2.748 89 2HG2 THR 13 2HG2 THR 13 -10.965 6.255 1.391 90 3HG2 THR 13 3HG2 THR 13 -11.557 7.893 1.116 91 H THR 14 H THR 14 -7.868 9.773 1.237 92 HA THR 14 HA THR 14 -5.197 8.957 0.461 93 HB THR 14 HB THR 14 -5.549 10.263 -1.440 94 HG1 THR 14 1HG THR 14 -3.694 11.010 -0.491 95 1HG2 THR 14 1HG2 THR 14 -7.293 11.609 -1.602 96 2HG2 THR 14 2HG2 THR 14 -6.409 12.795 -0.641 97 3HG2 THR 14 3HG2 THR 14 -7.489 11.646 0.150 98 H LYS 15 H LYS 15 -3.533 10.452 1.422 99 HA LYS 15 HA LYS 15 -4.338 12.099 3.633 100 1HB LYS 15 2HB LYS 15 -4.489 9.672 4.450 101 2HB LYS 15 1HB LYS 15 -2.734 9.646 4.329 102 1HG LYS 15 2HG LYS 15 -3.359 10.110 6.593 103 2HG LYS 15 1HG LYS 15 -2.638 11.559 5.893 104 1HD LYS 15 2HD LYS 15 -5.330 11.838 5.330 105 2HD LYS 15 1HD LYS 15 -5.318 11.126 6.945 106 1HE LYS 15 2HE LYS 15 -3.424 13.344 6.454 107 2HE LYS 15 1HE LYS 15 -5.136 13.762 6.498 108 1HZ LYS 15 1HZ LYS 15 -3.593 13.605 8.664 109 2HZ LYS 15 2HZ LYS 15 -4.215 12.034 8.638 110 3HZ LYS 15 3HZ LYS 15 -5.266 13.357 8.690 111 H THR 16 H THR 16 -2.506 13.125 4.692 112 HA THR 16 HA THR 16 -0.138 13.179 2.941 113 HB THR 16 HB THR 16 -1.405 15.280 2.955 114 HG1 THR 16 1HG THR 16 1.068 15.423 4.333 115 1HG2 THR 16 1HG2 THR 16 -0.731 15.528 5.871 116 2HG2 THR 16 2HG2 THR 16 -2.323 15.068 5.265 117 3HG2 THR 16 3HG2 THR 16 -1.654 16.652 4.872 118 H CYS 17 H CYS 17 1.623 12.302 3.781 119 HA CYS 17 HA CYS 17 1.816 11.749 6.602 120 1HB CYS 17 2HB CYS 17 3.841 11.291 4.399 121 2HB CYS 17 1HB CYS 17 3.909 10.616 6.028 122 H SER 18 H SER 18 3.794 12.294 7.840 123 HA SER 18 HA SER 18 4.181 15.055 7.991 124 1HB SER 18 2HB SER 18 6.365 14.162 9.289 125 2HB SER 18 1HB SER 18 4.748 14.107 9.989 126 HG SER 18 HG SER 18 5.126 12.048 10.135 127 H GLY 19 H GLY 19 6.842 12.787 7.327 128 1HA GLY 19 2HA GLY 19 7.608 14.196 4.929 129 2HA GLY 19 1HA GLY 19 8.671 14.512 6.299 130 H GLU 20 H GLU 20 7.115 11.705 4.738 131 HA GLU 20 HA GLU 20 9.368 10.024 5.417 132 1HB GLU 20 2HB GLU 20 6.642 9.636 4.352 133 2HB GLU 20 1HB GLU 20 7.849 8.496 3.756 134 1HG GLU 20 2HG GLU 20 6.902 7.473 5.632 135 2HG GLU 20 1HG GLU 20 8.457 8.096 6.183 136 H THR 21 H THR 21 10.263 8.573 3.639 137 HA THR 21 HA THR 21 11.268 10.290 1.537 138 HB THR 21 HB THR 21 12.014 7.420 1.629 139 HG1 THR 21 1HG THR 21 13.304 7.727 3.437 140 1HG2 THR 21 1HG2 THR 21 14.328 8.631 1.660 141 2HG2 THR 21 2HG2 THR 21 13.377 10.008 1.107 142 3HG2 THR 21 3HG2 THR 21 13.389 8.513 0.172 143 H ASN 22 H ASN 22 10.056 6.954 1.516 144 HA ASN 22 HA ASN 22 8.567 7.575 -0.943 145 1HB ASN 22 2HB ASN 22 9.877 4.896 -0.640 146 2HB ASN 22 1HB ASN 22 9.387 5.742 -2.110 147 1HD2 ASN 22 1HD2 ASN 22 11.938 4.925 -0.115 148 2HD2 ASN 22 2HD2 ASN 22 13.136 6.001 -0.765 149 H CYS 23 H CYS 23 6.744 6.197 -1.346 150 HA CYS 23 HA CYS 23 5.512 5.240 1.097 151 1HB CYS 23 2HB CYS 23 4.337 5.423 -1.682 152 2HB CYS 23 1HB CYS 23 3.467 5.253 -0.163 153 H TYR 24 H TYR 24 3.776 3.325 0.029 154 HA TYR 24 HA TYR 24 5.280 1.344 -1.394 155 1HB TYR 24 2HB TYR 24 5.230 -0.363 0.388 156 2HB TYR 24 1HB TYR 24 6.260 1.009 0.796 157 HD1 TYR 24 1HD TYR 24 3.123 -0.734 1.557 158 HD2 TYR 24 2HD TYR 24 5.674 2.503 2.612 159 HE1 TYR 24 1HE TYR 24 1.893 -0.460 3.669 160 HE2 TYR 24 2HE TYR 24 4.452 2.785 4.726 161 HH TYR 24 HH TYR 24 3.031 1.541 6.213 162 H LYS 25 H LYS 25 4.075 -0.810 -1.319 163 HA LYS 25 HA LYS 25 1.240 -0.695 -0.889 164 1HB LYS 25 2HB LYS 25 1.840 0.441 -3.196 165 2HB LYS 25 1HB LYS 25 1.996 -1.230 -3.734 166 1HG LYS 25 2HG LYS 25 -0.432 -0.939 -2.261 167 2HG LYS 25 1HG LYS 25 -0.343 0.313 -3.499 168 1HD LYS 25 2HD LYS 25 0.493 -1.844 -4.904 169 2HD LYS 25 1HD LYS 25 -0.624 -2.605 -3.770 170 1HE LYS 25 2HE LYS 25 -2.427 -1.694 -4.748 171 2HE LYS 25 1HE LYS 25 -1.634 -0.136 -4.976 172 1HZ LYS 25 1HZ LYS 25 -1.753 -0.757 -7.126 173 2HZ LYS 25 2HZ LYS 25 -1.807 -2.412 -6.779 174 3HZ LYS 25 3HZ LYS 25 -0.327 -1.592 -6.761 175 H LYS 26 H LYS 26 0.843 -2.625 -0.067 176 HA LYS 26 HA LYS 26 2.340 -4.934 -1.111 177 1HB LYS 26 2HB LYS 26 1.393 -5.782 1.306 178 2HB LYS 26 1HB LYS 26 2.997 -5.130 1.029 179 1HG LYS 26 2HG LYS 26 2.373 -2.993 1.828 180 2HG LYS 26 1HG LYS 26 0.662 -3.419 1.819 181 1HD LYS 26 2HD LYS 26 1.039 -5.043 3.591 182 2HD LYS 26 1HD LYS 26 2.766 -4.687 3.570 183 1HE LYS 26 2HE LYS 26 1.066 -2.330 3.907 184 2HE LYS 26 1HE LYS 26 0.925 -3.507 5.212 185 1HZ LYS 26 1HZ LYS 26 3.626 -2.867 4.347 186 2HZ LYS 26 2HZ LYS 26 3.020 -3.124 5.904 187 3HZ LYS 26 3HZ LYS 26 2.792 -1.630 5.146 188 H TRP 27 H TRP 27 1.257 -6.933 -1.302 189 HA TRP 27 HA TRP 27 -1.587 -7.046 -0.883 190 1HB TRP 27 2HB TRP 27 -2.098 -7.673 -3.250 191 2HB TRP 27 1HB TRP 27 -1.692 -5.996 -3.018 192 HD1 TRP 27 HD TRP 27 -0.649 -9.046 -4.791 193 HE1 TRP 27 1HE TRP 27 1.291 -8.517 -6.380 194 HE3 TRP 27 3HE TRP 27 0.427 -4.330 -3.195 195 HZ2 TRP 27 2HZ TRP 27 3.060 -6.377 -6.902 196 HZ3 TRP 27 3HZ TRP 27 2.251 -3.100 -4.296 197 HH2 TRP 27 HH TRP 27 3.541 -4.103 -6.108 198 H TRP 28 H TRP 28 -2.509 -9.118 -1.356 199 HA TRP 28 HA TRP 28 -0.769 -11.342 -1.936 200 1HB TRP 28 2HB TRP 28 -1.130 -12.452 0.259 201 2HB TRP 28 1HB TRP 28 -0.198 -10.964 0.408 202 HD1 TRP 28 HD TRP 28 -3.602 -12.424 1.212 203 HE1 TRP 28 1HE TRP 28 -4.753 -10.885 2.880 204 HE3 TRP 28 3HE TRP 28 -0.269 -8.546 1.227 205 HZ2 TRP 28 2HZ TRP 28 -4.349 -8.372 4.089 206 HZ3 TRP 28 3HZ TRP 28 -0.729 -6.610 2.674 207 HH2 TRP 28 HH TRP 28 -2.730 -6.527 4.075 208 H SER 29 H SER 29 -2.131 -13.447 -1.152 209 HA SER 29 HA SER 29 -4.896 -13.022 -2.084 210 1HB SER 29 2HB SER 29 -3.286 -14.250 -3.672 211 2HB SER 29 1HB SER 29 -3.352 -15.580 -2.509 212 HG SER 29 HG SER 29 -5.015 -16.079 -3.745 213 H ASP 30 H ASP 30 -6.511 -13.900 -0.874 214 HA ASP 30 HA ASP 30 -5.675 -15.323 1.561 215 1HB ASP 30 2HB ASP 30 -6.914 -13.177 1.839 216 2HB ASP 30 1HB ASP 30 -8.295 -13.908 1.018 217 H HIS 31 H HIS 31 -8.639 -15.245 -0.408 218 HA HIS 31 HA HIS 31 -8.492 -18.132 -0.756 219 1HB HIS 31 2HB HIS 31 -11.145 -17.889 -0.121 220 2HB HIS 31 1HB HIS 31 -9.904 -18.489 0.969 221 HD1 HIS 31 1HD HIS 31 -10.893 -17.629 3.123 222 HD2 HIS 31 2HD HIS 31 -10.419 -14.649 0.266 223 HE1 HIS 31 1HE HIS 31 -11.343 -15.468 4.326 224 HE2 HIS 31 2HE HIS 31 -11.142 -13.686 2.555 225 H ARG 32 H ARG 32 -11.192 -15.857 -1.105 226 HA ARG 32 HA ARG 32 -11.162 -16.413 -3.991 227 1HB ARG 32 2HB ARG 32 -13.337 -16.045 -1.998 228 2HB ARG 32 1HB ARG 32 -13.620 -15.418 -3.621 229 1HG ARG 32 2HG ARG 32 -13.578 -17.512 -4.583 230 2HG ARG 32 1HG ARG 32 -12.635 -18.212 -3.265 231 1HD ARG 32 2HD ARG 32 -15.188 -17.186 -2.350 232 2HD ARG 32 1HD ARG 32 -15.381 -18.392 -3.621 233 HE ARG 32 HE ARG 32 -13.552 -19.177 -1.546 234 1HH1 ARG 32 1HH1 ARG 32 -16.898 -19.108 -2.538 235 2HH1 ARG 32 2HH1 ARG 32 -17.353 -20.443 -1.535 236 1HH2 ARG 32 1HH2 ARG 32 -14.150 -20.935 -0.226 237 2HH2 ARG 32 2HH2 ARG 32 -15.794 -21.480 -0.222 238 H GLY 33 H GLY 33 -9.614 -14.329 -2.520 239 1HA GLY 33 2HA GLY 33 -10.131 -12.177 -4.327 240 2HA GLY 33 1HA GLY 33 -10.671 -11.786 -2.696 241 H THR 34 H THR 34 -8.690 -10.351 -4.035 242 HA THR 34 HA THR 34 -6.245 -11.126 -2.588 243 HB THR 34 HB THR 34 -6.537 -9.386 -5.046 244 HG1 THR 34 1HG THR 34 -5.472 -11.996 -4.736 245 1HG2 THR 34 1HG2 THR 34 -3.921 -10.482 -4.201 246 2HG2 THR 34 2HG2 THR 34 -4.538 -9.066 -3.349 247 3HG2 THR 34 3HG2 THR 34 -4.304 -9.012 -5.096 248 H ILE 35 H ILE 35 -5.476 -9.806 -1.052 249 HA ILE 35 HA ILE 35 -6.888 -7.270 -0.607 250 HB ILE 35 HB ILE 35 -5.055 -8.718 1.301 251 1HG1 ILE 35 2HG1 ILE 35 -7.524 -9.027 2.362 252 2HG1 ILE 35 1HG1 ILE 35 -7.917 -9.091 0.648 253 1HG2 ILE 35 1HG2 ILE 35 -5.136 -6.633 2.191 254 2HG2 ILE 35 2HG2 ILE 35 -6.641 -7.257 2.865 255 3HG2 ILE 35 3HG2 ILE 35 -6.674 -6.245 1.421 256 1HD1 ILE 35 1HD1 ILE 35 -7.388 -11.238 0.716 257 2HD1 ILE 35 2HD1 ILE 35 -6.706 -11.084 2.336 258 3HD1 ILE 35 3HD1 ILE 35 -5.707 -10.746 0.921 259 H ILE 36 H ILE 36 -5.793 -5.327 -0.352 260 HA ILE 36 HA ILE 36 -2.896 -5.335 -0.765 261 HB ILE 36 HB ILE 36 -2.962 -3.711 -2.524 262 1HG1 ILE 36 2HG1 ILE 36 -5.956 -3.726 -2.098 263 2HG1 ILE 36 1HG1 ILE 36 -4.855 -2.366 -1.906 264 1HG2 ILE 36 1HG2 ILE 36 -5.037 -5.478 -3.622 265 2HG2 ILE 36 2HG2 ILE 36 -3.687 -6.300 -2.842 266 3HG2 ILE 36 3HG2 ILE 36 -3.387 -5.182 -4.170 267 1HD1 ILE 36 1HD1 ILE 36 -4.391 -2.544 -4.373 268 2HD1 ILE 36 2HD1 ILE 36 -6.016 -2.023 -3.927 269 3HD1 ILE 36 3HD1 ILE 36 -5.736 -3.681 -4.455 270 H GLU 37 H GLU 37 -1.928 -4.029 0.680 271 HA GLU 37 HA GLU 37 -3.506 -1.799 1.786 272 1HB GLU 37 2HB GLU 37 -1.555 -2.199 3.655 273 2HB GLU 37 1HB GLU 37 -3.192 -2.843 3.753 274 1HG GLU 37 2HG GLU 37 -2.492 -4.957 2.929 275 2HG GLU 37 1HG GLU 37 -0.896 -4.337 2.513 276 H ARG 38 H ARG 38 -2.007 -0.059 2.763 277 HA ARG 38 HA ARG 38 0.547 0.273 1.484 278 1HB ARG 38 2HB ARG 38 -0.385 2.580 0.535 279 2HB ARG 38 1HB ARG 38 -0.412 1.101 -0.413 280 1HG ARG 38 2HG ARG 38 -2.737 0.732 0.187 281 2HG ARG 38 1HG ARG 38 -2.718 2.178 1.198 282 1HD ARG 38 2HD ARG 38 -2.917 3.560 -0.563 283 2HD ARG 38 1HD ARG 38 -1.825 2.603 -1.563 284 HE ARG 38 HE ARG 38 -4.630 2.568 -1.669 285 1HH1 ARG 38 1HH1 ARG 38 -1.917 0.370 -1.717 286 2HH1 ARG 38 2HH1 ARG 38 -2.751 -0.833 -2.642 287 1HH2 ARG 38 1HH2 ARG 38 -5.722 0.988 -2.890 288 2HH2 ARG 38 2HH2 ARG 38 -4.908 -0.481 -3.311 289 H GLY 39 H GLY 39 1.242 2.733 1.843 290 1HA GLY 39 2HA GLY 39 0.183 4.221 3.951 291 2HA GLY 39 1HA GLY 39 1.336 3.092 4.646 292 H CYS 40 H CYS 40 3.024 4.346 5.190 293 HA CYS 40 HA CYS 40 4.334 5.830 3.020 294 1HB CYS 40 2HB CYS 40 3.221 6.918 5.477 295 2HB CYS 40 1HB CYS 40 4.944 7.268 5.331 296 H GLY 41 H GLY 41 6.456 5.436 2.837 297 1HA GLY 41 2HA GLY 41 8.609 5.205 4.051 298 2HA GLY 41 1HA GLY 41 7.780 4.044 5.087 299 H CYS 42 H CYS 42 9.579 2.631 4.478 300 HA CYS 42 HA CYS 42 8.808 0.917 2.306 301 1HB CYS 42 2HB CYS 42 10.138 2.607 1.100 302 2HB CYS 42 1HB CYS 42 11.501 2.297 2.179 303 HA PRO 43 HA PRO 43 11.109 -1.028 5.882 304 1HB PRO 43 2HB PRO 43 9.077 -2.289 7.092 305 2HB PRO 43 1HB PRO 43 9.416 -0.578 7.398 306 1HG PRO 43 2HG PRO 43 7.345 -1.815 5.623 307 2HG PRO 43 1HG PRO 43 7.195 -0.430 6.724 308 1HD PRO 43 2HD PRO 43 7.570 -0.211 4.009 309 2HD PRO 43 1HD PRO 43 8.042 1.035 5.185 310 H LYS 44 H LYS 44 10.562 -3.536 6.615 311 HA LYS 44 HA LYS 44 10.819 -5.014 4.113 312 1HB LYS 44 2HB LYS 44 11.748 -5.372 6.881 313 2HB LYS 44 1HB LYS 44 11.226 -6.855 6.094 314 1HG LYS 44 2HG LYS 44 12.955 -5.188 4.432 315 2HG LYS 44 1HG LYS 44 13.716 -5.756 5.918 316 1HD LYS 44 2HD LYS 44 13.916 -7.825 5.111 317 2HD LYS 44 1HD LYS 44 12.213 -7.872 4.649 318 1HE LYS 44 2HE LYS 44 13.022 -7.969 2.555 319 2HE LYS 44 1HE LYS 44 13.221 -6.227 2.744 320 1HZ LYS 44 1HZ LYS 44 15.499 -7.090 3.797 321 2HZ LYS 44 2HZ LYS 44 15.323 -6.719 2.156 322 3HZ LYS 44 3HZ LYS 44 15.228 -8.326 2.672 323 H VAL 45 H VAL 45 9.963 -7.447 4.501 324 HA VAL 45 HA VAL 45 7.314 -7.446 5.705 325 HB VAL 45 HB VAL 45 6.331 -8.414 3.574 326 1HG1 VAL 45 1HG1 VAL 45 5.656 -6.246 4.292 327 2HG1 VAL 45 2HG1 VAL 45 5.989 -6.143 2.562 328 3HG1 VAL 45 3HG1 VAL 45 7.162 -5.524 3.724 329 1HG2 VAL 45 1HG2 VAL 45 8.780 -7.125 2.371 330 2HG2 VAL 45 2HG2 VAL 45 7.402 -7.760 1.470 331 3HG2 VAL 45 3HG2 VAL 45 8.425 -8.851 2.405 332 H LYS 46 H LYS 46 6.326 -9.615 5.677 333 HA LYS 46 HA LYS 46 8.279 -11.598 6.260 334 1HB LYS 46 2HB LYS 46 5.338 -11.328 6.566 335 2HB LYS 46 1HB LYS 46 5.999 -12.955 6.532 336 1HG LYS 46 2HG LYS 46 7.370 -11.056 8.315 337 2HG LYS 46 1HG LYS 46 5.721 -11.494 8.768 338 1HD LYS 46 2HD LYS 46 6.308 -13.851 8.713 339 2HD LYS 46 1HD LYS 46 7.942 -13.452 8.180 340 1HE LYS 46 2HE LYS 46 7.022 -12.139 10.657 341 2HE LYS 46 1HE LYS 46 7.272 -13.882 10.751 342 1HZ LYS 46 1HZ LYS 46 9.487 -13.662 10.535 343 2HZ LYS 46 2HZ LYS 46 9.206 -12.096 11.111 344 3HZ LYS 46 3HZ LYS 46 9.381 -12.366 9.450 345 HA PRO 47 HA PRO 47 8.007 -13.939 2.535 346 1HB PRO 47 2HB PRO 47 7.959 -16.530 3.522 347 2HB PRO 47 1HB PRO 47 9.392 -15.542 3.321 348 1HG PRO 47 2HG PRO 47 8.146 -16.402 5.724 349 2HG PRO 47 1HG PRO 47 9.665 -15.534 5.521 350 1HD PRO 47 2HD PRO 47 7.085 -14.529 6.357 351 2HD PRO 47 1HD PRO 47 8.663 -13.717 6.356 352 H GLY 48 H GLY 48 6.279 -13.992 1.257 353 1HA GLY 48 2HA GLY 48 4.470 -15.607 0.580 354 2HA GLY 48 1HA GLY 48 3.865 -15.399 2.224 355 H VAL 49 H VAL 49 4.587 -12.511 2.165 356 HA VAL 49 HA VAL 49 2.245 -11.603 0.640 357 HB VAL 49 HB VAL 49 3.683 -10.178 2.884 358 1HG1 VAL 49 1HG1 VAL 49 1.496 -9.457 1.071 359 2HG1 VAL 49 2HG1 VAL 49 2.571 -8.430 2.019 360 3HG1 VAL 49 3HG1 VAL 49 1.160 -9.166 2.777 361 1HG2 VAL 49 1HG2 VAL 49 2.237 -12.444 3.191 362 2HG2 VAL 49 2HG2 VAL 49 0.970 -11.225 3.326 363 3HG2 VAL 49 3HG2 VAL 49 2.360 -11.175 4.410 364 H ASN 50 H ASN 50 2.403 -10.039 -0.897 365 HA ASN 50 HA ASN 50 5.087 -9.352 -1.785 366 1HB ASN 50 2HB ASN 50 2.609 -8.408 -3.180 367 2HB ASN 50 1HB ASN 50 4.174 -8.857 -3.862 368 1HD2 ASN 50 1HD2 ASN 50 1.024 -9.831 -3.296 369 2HD2 ASN 50 2HD2 ASN 50 1.203 -11.518 -3.666 370 H LEU 51 H LEU 51 5.773 -7.217 -2.198 371 HA LEU 51 HA LEU 51 4.214 -4.972 -1.328 372 1HB LEU 51 2HB LEU 51 4.948 -5.740 0.829 373 2HB LEU 51 1HB LEU 51 6.598 -5.913 0.262 374 HG LEU 51 HG LEU 51 6.425 -3.331 -0.158 375 1HD1 LEU 51 1HD1 LEU 51 4.897 -2.148 1.131 376 2HD1 LEU 51 2HD1 LEU 51 4.506 -3.550 2.128 377 3HD1 LEU 51 3HD1 LEU 51 3.937 -3.466 0.461 378 1HD2 LEU 51 1HD2 LEU 51 7.626 -4.860 1.690 379 2HD2 LEU 51 2HD2 LEU 51 6.553 -3.921 2.729 380 3HD2 LEU 51 3HD2 LEU 51 7.710 -3.098 1.683 381 H ASN 52 H ASN 52 5.124 -2.974 -1.991 382 HA ASN 52 HA ASN 52 7.764 -2.941 -3.166 383 1HB ASN 52 2HB ASN 52 7.241 -2.755 -5.393 384 2HB ASN 52 1HB ASN 52 5.954 -3.836 -4.875 385 1HD2 ASN 52 1HD2 ASN 52 4.052 -2.385 -3.864 386 2HD2 ASN 52 2HD2 ASN 52 3.493 -1.166 -4.952 387 H CYS 53 H CYS 53 8.681 -1.028 -2.834 388 HA CYS 53 HA CYS 53 7.081 1.184 -1.864 389 1HB CYS 53 2HB CYS 53 10.064 1.196 -2.249 390 2HB CYS 53 1HB CYS 53 9.094 2.107 -1.097 391 H CYS 54 H CYS 54 7.339 3.343 -2.690 392 HA CYS 54 HA CYS 54 8.533 3.788 -5.265 393 1HB CYS 54 2HB CYS 54 6.240 4.582 -6.201 394 2HB CYS 54 1HB CYS 54 6.645 2.866 -6.268 395 H ARG 55 H ARG 55 8.410 5.913 -5.972 396 HA ARG 55 HA ARG 55 7.848 7.808 -3.813 397 1HB ARG 55 2HB ARG 55 9.825 8.751 -5.655 398 2HB ARG 55 1HB ARG 55 9.959 8.466 -3.930 399 1HG ARG 55 2HG ARG 55 10.617 6.197 -4.293 400 2HG ARG 55 1HG ARG 55 10.307 6.344 -6.026 401 1HD ARG 55 2HD ARG 55 12.287 8.102 -4.610 402 2HD ARG 55 1HD ARG 55 12.733 6.512 -5.230 403 HE ARG 55 HE ARG 55 11.465 7.914 -7.276 404 1HH1 ARG 55 1HH1 ARG 55 14.405 8.084 -5.406 405 2HH1 ARG 55 2HH1 ARG 55 15.312 8.850 -6.667 406 1HH2 ARG 55 1HH2 ARG 55 12.656 8.923 -8.938 407 2HH2 ARG 55 2HH2 ARG 55 14.319 9.327 -8.673 408 H THR 56 H THR 56 5.935 7.118 -5.796 409 HA THR 56 HA THR 56 5.808 9.640 -7.316 410 HB THR 56 HB THR 56 4.148 7.648 -8.526 411 HG1 THR 56 1HG THR 56 5.650 6.177 -7.557 412 1HG2 THR 56 1HG2 THR 56 4.838 9.232 -10.007 413 2HG2 THR 56 2HG2 THR 56 5.993 7.947 -10.363 414 3HG2 THR 56 3HG2 THR 56 6.469 9.305 -9.344 415 H ASP 57 H ASP 57 3.766 10.621 -7.529 416 HA ASP 57 HA ASP 57 2.106 10.453 -5.265 417 1HB ASP 57 2HB ASP 57 2.057 11.913 -7.848 418 2HB ASP 57 1HB ASP 57 0.508 11.741 -7.018 419 H ARG 58 H ARG 58 0.528 9.084 -4.770 420 HA ARG 58 HA ARG 58 -1.074 7.476 -4.925 421 1HB ARG 58 2HB ARG 58 -1.383 8.599 -7.716 422 2HB ARG 58 1HB ARG 58 -2.506 7.475 -6.953 423 1HG ARG 58 2HG ARG 58 -2.779 9.211 -5.128 424 2HG ARG 58 1HG ARG 58 -1.927 10.323 -6.201 425 1HD ARG 58 2HD ARG 58 -4.138 8.835 -7.441 426 2HD ARG 58 1HD ARG 58 -4.617 9.963 -6.172 427 HE ARG 58 HE ARG 58 -2.814 11.086 -8.113 428 1HH1 ARG 58 1HH1 ARG 58 -6.156 10.449 -7.335 429 2HH1 ARG 58 2HH1 ARG 58 -6.764 11.715 -8.348 430 1HH2 ARG 58 1HH2 ARG 58 -3.611 12.751 -9.447 431 2HH2 ARG 58 2HH2 ARG 58 -5.319 13.022 -9.548 432 H CYS 59 H CYS 59 1.719 6.926 -5.698 433 HA CYS 59 HA CYS 59 1.818 5.159 -7.885 434 1HB CYS 59 2HB CYS 59 3.983 4.542 -7.065 435 2HB CYS 59 1HB CYS 59 3.778 6.270 -6.795 436 H ASN 60 H ASN 60 0.831 4.753 -4.572 437 HA ASN 60 HA ASN 60 0.733 1.837 -4.887 438 1HB ASN 60 2HB ASN 60 0.132 1.917 -2.413 439 2HB ASN 60 1HB ASN 60 1.764 2.440 -2.839 440 1HD2 ASN 60 1HD2 ASN 60 1.829 3.564 -0.848 441 2HD2 ASN 60 2HD2 ASN 60 1.043 5.103 -0.673 442 H ASN 61 H ASN 61 -1.149 3.836 -6.145 443 HA ASN 61 HA ASN 61 -3.646 3.680 -4.843 444 1HB ASN 61 2HB ASN 61 -4.563 4.441 -6.982 445 2HB ASN 61 1HB ASN 61 -3.134 5.368 -6.549 446 1HD2 ASN 61 1HD2 ASN 61 -4.124 5.264 -9.129 447 2HD2 ASN 61 2HD2 ASN 61 -2.983 4.426 -10.135 Start of MODEL 10 1 1H LEU 1 1HT LEU 1 4.577 13.025 2.423 2 2H LEU 1 2HT LEU 1 4.210 14.608 1.869 3 3H LEU 1 3HT LEU 1 5.718 13.886 1.476 4 HA LEU 1 HA LEU 1 4.511 13.676 -0.429 5 1HB LEU 1 2HB LEU 1 5.136 11.438 1.168 6 2HB LEU 1 1HB LEU 1 3.615 11.076 0.375 7 HG LEU 1 HG LEU 1 5.686 10.324 -0.819 8 1HD1 LEU 1 1HD1 LEU 1 4.866 10.823 -3.000 9 2HD1 LEU 1 2HD1 LEU 1 3.964 12.210 -2.385 10 3HD1 LEU 1 3HD1 LEU 1 3.498 10.575 -1.916 11 1HD2 LEU 1 1HD2 LEU 1 6.765 12.669 -0.293 12 2HD2 LEU 1 2HD2 LEU 1 6.037 13.079 -1.848 13 3HD2 LEU 1 3HD2 LEU 1 7.199 11.756 -1.739 14 H GLU 2 H GLU 2 2.482 11.991 -1.088 15 HA GLU 2 HA GLU 2 0.092 12.550 0.394 16 1HB GLU 2 2HB GLU 2 0.880 14.289 -1.826 17 2HB GLU 2 1HB GLU 2 -0.729 13.605 -2.018 18 1HG GLU 2 2HG GLU 2 -1.430 14.512 0.085 19 2HG GLU 2 1HG GLU 2 0.207 15.064 0.438 20 H CYS 3 H CYS 3 1.027 10.151 -0.119 21 HA CYS 3 HA CYS 3 0.067 9.071 -2.602 22 1HB CYS 3 2HB CYS 3 1.253 7.846 -0.116 23 2HB CYS 3 1HB CYS 3 0.696 6.879 -1.480 24 H HIS 4 H HIS 4 -1.184 6.837 -2.237 25 HA HIS 4 HA HIS 4 -3.769 7.620 -1.231 26 1HB HIS 4 2HB HIS 4 -2.781 5.104 -2.583 27 2HB HIS 4 1HB HIS 4 -4.458 5.354 -2.089 28 HD1 HIS 4 1HD HIS 4 -5.616 7.548 -3.244 29 HD2 HIS 4 2HD HIS 4 -2.222 6.004 -5.080 30 HE1 HIS 4 1HE HIS 4 -5.641 8.467 -5.583 31 HE2 HIS 4 2HE HIS 4 -3.648 7.416 -6.711 32 H ASN 5 H ASN 5 -4.979 5.552 -0.180 33 HA ASN 5 HA ASN 5 -3.512 4.024 1.697 34 1HB ASN 5 2HB ASN 5 -4.268 5.137 3.767 35 2HB ASN 5 1HB ASN 5 -3.212 6.180 2.811 36 1HD2 ASN 5 1HD2 ASN 5 -5.499 6.564 4.810 37 2HD2 ASN 5 2HD2 ASN 5 -6.502 7.756 4.044 38 H GLN 6 H GLN 6 -5.527 3.550 -0.211 39 HA GLN 6 HA GLN 6 -7.994 3.135 1.277 40 1HB GLN 6 2HB GLN 6 -8.813 2.231 -0.932 41 2HB GLN 6 1HB GLN 6 -8.319 3.919 -0.946 42 1HG GLN 6 2HG GLN 6 -6.539 3.535 -2.293 43 2HG GLN 6 1HG GLN 6 -6.272 1.909 -1.665 44 1HE2 GLN 6 1HE2 GLN 6 -6.681 3.221 -4.417 45 2HE2 GLN 6 2HE2 GLN 6 -7.814 2.160 -5.195 46 H GLN 7 H GLN 7 -8.734 1.211 1.993 47 HA GLN 7 HA GLN 7 -6.983 -1.120 1.604 48 1HB GLN 7 2HB GLN 7 -8.448 -1.847 3.729 49 2HB GLN 7 1HB GLN 7 -6.941 -0.958 3.870 50 1HG GLN 7 2HG GLN 7 -9.593 0.431 3.708 51 2HG GLN 7 1HG GLN 7 -8.930 -0.150 5.234 52 1HE2 GLN 7 1HE2 GLN 7 -6.514 0.500 5.476 53 2HE2 GLN 7 2HE2 GLN 7 -6.180 2.175 5.164 54 H SER 8 H SER 8 -7.870 -3.107 1.069 55 HA SER 8 HA SER 8 -9.322 -4.553 0.080 56 1HB SER 8 2HB SER 8 -11.675 -3.045 1.162 57 2HB SER 8 1HB SER 8 -11.417 -4.790 1.047 58 HG SER 8 HG SER 8 -9.745 -4.441 2.697 59 H SER 9 H SER 9 -11.958 -4.073 -0.931 60 HA SER 9 HA SER 9 -11.240 -2.493 -3.279 61 1HB SER 9 2HB SER 9 -12.922 -3.662 -4.449 62 2HB SER 9 1HB SER 9 -12.212 -4.872 -3.381 63 HG SER 9 HG SER 9 -14.404 -5.043 -3.167 64 H GLN 10 H GLN 10 -11.968 -1.227 -0.716 65 HA GLN 10 HA GLN 10 -14.604 -0.164 -0.953 66 1HB GLN 10 2HB GLN 10 -12.241 0.311 0.784 67 2HB GLN 10 1HB GLN 10 -13.438 1.602 0.681 68 1HG GLN 10 2HG GLN 10 -14.623 -1.017 1.084 69 2HG GLN 10 1HG GLN 10 -13.504 -0.560 2.370 70 1HE2 GLN 10 1HE2 GLN 10 -16.635 -0.407 1.358 71 2HE2 GLN 10 2HE2 GLN 10 -17.177 0.943 2.307 72 H ALA 11 H ALA 11 -14.572 2.462 -0.702 73 HA ALA 11 HA ALA 11 -13.926 3.383 -3.330 74 1HB ALA 11 1HB ALA 11 -15.921 4.066 -1.889 75 2HB ALA 11 2HB ALA 11 -15.090 5.341 -2.781 76 3HB ALA 11 3HB ALA 11 -14.794 5.137 -1.055 77 HA PRO 12 HA PRO 12 -9.598 4.331 -2.458 78 1HB PRO 12 2HB PRO 12 -10.305 6.122 -4.763 79 2HB PRO 12 1HB PRO 12 -8.828 5.185 -4.485 80 1HG PRO 12 2HG PRO 12 -10.651 4.231 -6.128 81 2HG PRO 12 1HG PRO 12 -9.879 3.152 -4.941 82 1HD PRO 12 2HD PRO 12 -12.624 4.330 -4.923 83 2HD PRO 12 1HD PRO 12 -12.065 2.745 -4.339 84 H THR 13 H THR 13 -8.359 6.260 -1.924 85 HA THR 13 HA THR 13 -9.806 8.725 -1.451 86 HB THR 13 HB THR 13 -8.681 8.482 1.014 87 HG1 THR 13 1HG THR 13 -9.749 5.929 0.412 88 1HG2 THR 13 1HG2 THR 13 -10.963 9.215 0.628 89 2HG2 THR 13 2HG2 THR 13 -10.893 7.989 1.895 90 3HG2 THR 13 3HG2 THR 13 -11.446 7.555 0.277 91 H THR 14 H THR 14 -8.349 10.438 -0.578 92 HA THR 14 HA THR 14 -5.513 9.930 -1.133 93 HB THR 14 HB THR 14 -5.346 12.006 -2.423 94 HG1 THR 14 1HG THR 14 -8.127 12.134 -1.938 95 1HG2 THR 14 1HG2 THR 14 -6.323 11.328 -4.446 96 2HG2 THR 14 2HG2 THR 14 -7.595 10.425 -3.622 97 3HG2 THR 14 3HG2 THR 14 -5.931 9.842 -3.581 98 H LYS 15 H LYS 15 -4.283 10.628 0.477 99 HA LYS 15 HA LYS 15 -4.968 13.072 1.899 100 1HB LYS 15 2HB LYS 15 -5.775 10.682 2.974 101 2HB LYS 15 1HB LYS 15 -4.208 10.911 3.739 102 1HG LYS 15 2HG LYS 15 -5.065 13.277 4.287 103 2HG LYS 15 1HG LYS 15 -6.659 12.615 3.919 104 1HD LYS 15 2HD LYS 15 -6.643 12.085 6.116 105 2HD LYS 15 1HD LYS 15 -5.713 10.694 5.556 106 1HE LYS 15 2HE LYS 15 -4.473 11.554 7.349 107 2HE LYS 15 1HE LYS 15 -3.647 12.149 5.909 108 1HZ LYS 15 1HZ LYS 15 -3.959 13.846 7.660 109 2HZ LYS 15 2HZ LYS 15 -5.633 13.722 7.456 110 3HZ LYS 15 3HZ LYS 15 -4.666 14.276 6.184 111 H THR 16 H THR 16 -3.185 13.472 3.646 112 HA THR 16 HA THR 16 -0.607 12.936 2.338 113 HB THR 16 HB THR 16 -1.204 15.303 2.501 114 HG1 THR 16 1HG THR 16 0.960 14.962 2.659 115 1HG2 THR 16 1HG2 THR 16 -0.972 16.233 4.944 116 2HG2 THR 16 2HG2 THR 16 -1.627 14.651 5.363 117 3HG2 THR 16 3HG2 THR 16 -2.532 15.727 4.299 118 H CYS 17 H CYS 17 1.186 12.291 3.547 119 HA CYS 17 HA CYS 17 0.540 10.728 5.887 120 1HB CYS 17 2HB CYS 17 2.974 11.054 4.161 121 2HB CYS 17 1HB CYS 17 3.105 10.265 5.735 122 H SER 18 H SER 18 2.394 10.776 7.650 123 HA SER 18 HA SER 18 2.160 13.304 8.942 124 1HB SER 18 2HB SER 18 3.987 12.049 10.466 125 2HB SER 18 1HB SER 18 2.264 11.684 10.550 126 HG SER 18 HG SER 18 3.323 9.757 10.302 127 H GLY 19 H GLY 19 4.639 11.733 7.044 128 1HA GLY 19 2HA GLY 19 6.000 13.762 6.043 129 2HA GLY 19 1HA GLY 19 6.590 13.809 7.703 130 H GLU 20 H GLU 20 5.844 11.033 5.616 131 HA GLU 20 HA GLU 20 8.384 9.832 6.301 132 1HB GLU 20 2HB GLU 20 5.843 8.946 5.119 133 2HB GLU 20 1HB GLU 20 7.268 8.171 4.428 134 1HG GLU 20 2HG GLU 20 7.392 8.264 7.317 135 2HG GLU 20 1HG GLU 20 5.935 7.452 6.747 136 H THR 21 H THR 21 9.202 8.483 4.135 137 HA THR 21 HA THR 21 10.029 10.630 2.316 138 HB THR 21 HB THR 21 11.305 7.940 2.832 139 HG1 THR 21 1HG THR 21 11.895 10.549 3.738 140 1HG2 THR 21 1HG2 THR 21 12.678 10.210 1.479 141 2HG2 THR 21 2HG2 THR 21 11.665 9.109 0.547 142 3HG2 THR 21 3HG2 THR 21 13.049 8.487 1.445 143 H ASN 22 H ASN 22 9.788 7.113 1.931 144 HA ASN 22 HA ASN 22 8.374 7.580 -0.611 145 1HB ASN 22 2HB ASN 22 9.602 4.929 -0.209 146 2HB ASN 22 1HB ASN 22 9.613 5.978 -1.628 147 1HD2 ASN 22 1HD2 ASN 22 11.357 4.809 1.019 148 2HD2 ASN 22 2HD2 ASN 22 12.769 5.805 0.841 149 H CYS 23 H CYS 23 6.560 6.368 -1.108 150 HA CYS 23 HA CYS 23 5.176 5.212 1.157 151 1HB CYS 23 2HB CYS 23 4.136 5.492 -1.656 152 2HB CYS 23 1HB CYS 23 3.224 5.392 -0.158 153 H TYR 24 H TYR 24 3.527 3.398 -0.094 154 HA TYR 24 HA TYR 24 5.051 1.523 -1.624 155 1HB TYR 24 2HB TYR 24 4.915 -0.324 0.029 156 2HB TYR 24 1HB TYR 24 5.994 0.979 0.522 157 HD1 TYR 24 1HD TYR 24 5.693 2.052 2.591 158 HD2 TYR 24 2HD TYR 24 2.573 -0.378 1.023 159 HE1 TYR 24 1HE TYR 24 4.487 2.235 4.726 160 HE2 TYR 24 2HE TYR 24 1.356 -0.200 3.153 161 HH TYR 24 HH TYR 24 2.491 0.458 5.869 162 H LYS 25 H LYS 25 3.848 -0.556 -1.869 163 HA LYS 25 HA LYS 25 0.985 -0.422 -1.474 164 1HB LYS 25 2HB LYS 25 1.856 0.679 -3.786 165 2HB LYS 25 1HB LYS 25 1.730 -1.003 -4.286 166 1HG LYS 25 2HG LYS 25 -0.578 0.089 -2.812 167 2HG LYS 25 1HG LYS 25 -0.294 0.742 -4.427 168 1HD LYS 25 2HD LYS 25 -0.018 -2.141 -4.379 169 2HD LYS 25 1HD LYS 25 -1.600 -1.631 -3.787 170 1HE LYS 25 2HE LYS 25 -2.160 -0.605 -5.792 171 2HE LYS 25 1HE LYS 25 -0.478 -0.454 -6.298 172 1HZ LYS 25 1HZ LYS 25 -1.746 -2.176 -7.514 173 2HZ LYS 25 2HZ LYS 25 -1.916 -3.040 -6.070 174 3HZ LYS 25 3HZ LYS 25 -0.378 -2.786 -6.725 175 H LYS 26 H LYS 26 0.479 -2.361 -0.746 176 HA LYS 26 HA LYS 26 2.006 -4.669 -1.749 177 1HB LYS 26 2HB LYS 26 0.986 -5.531 0.634 178 2HB LYS 26 1HB LYS 26 2.603 -4.897 0.399 179 1HG LYS 26 2HG LYS 26 1.990 -2.759 1.204 180 2HG LYS 26 1HG LYS 26 0.272 -3.159 1.146 181 1HD LYS 26 2HD LYS 26 0.657 -4.878 2.884 182 2HD LYS 26 1HD LYS 26 2.342 -4.368 2.979 183 1HE LYS 26 2HE LYS 26 1.624 -2.125 3.641 184 2HE LYS 26 1HE LYS 26 -0.062 -2.633 3.542 185 1HZ LYS 26 1HZ LYS 26 0.403 -2.848 5.772 186 2HZ LYS 26 2HZ LYS 26 1.986 -3.387 5.518 187 3HZ LYS 26 3HZ LYS 26 0.682 -4.423 5.222 188 H TRP 27 H TRP 27 0.933 -6.660 -1.949 189 HA TRP 27 HA TRP 27 -1.906 -6.832 -1.594 190 1HB TRP 27 2HB TRP 27 -2.417 -7.344 -3.976 191 2HB TRP 27 1HB TRP 27 -1.990 -5.679 -3.695 192 HD1 TRP 27 HD TRP 27 -1.028 -8.666 -5.600 193 HE1 TRP 27 1HE TRP 27 0.931 -8.127 -7.160 194 HE3 TRP 27 3HE TRP 27 0.208 -4.066 -3.779 195 HZ2 TRP 27 2HZ TRP 27 2.772 -6.027 -7.580 196 HZ3 TRP 27 3HZ TRP 27 2.077 -2.853 -4.820 197 HH2 TRP 27 HH TRP 27 3.331 -3.813 -6.679 198 H TRP 28 H TRP 28 -2.768 -8.925 -2.301 199 HA TRP 28 HA TRP 28 -0.902 -11.044 -2.873 200 1HB TRP 28 2HB TRP 28 -1.443 -12.306 -0.770 201 2HB TRP 28 1HB TRP 28 -0.467 -10.864 -0.511 202 HD1 TRP 28 HD TRP 28 -3.913 -12.277 0.146 203 HE1 TRP 28 1HE TRP 28 -5.085 -10.772 1.834 204 HE3 TRP 28 3HE TRP 28 -0.540 -8.443 0.348 205 HZ2 TRP 28 2HZ TRP 28 -4.679 -8.296 3.121 206 HZ3 TRP 28 3HZ TRP 28 -1.010 -6.540 1.837 207 HH2 TRP 28 HH TRP 28 -3.041 -6.471 3.193 208 H SER 29 H SER 29 -2.118 -13.238 -2.528 209 HA SER 29 HA SER 29 -4.981 -13.039 -2.997 210 1HB SER 29 2HB SER 29 -3.436 -12.983 -5.208 211 2HB SER 29 1HB SER 29 -3.557 -14.732 -4.980 212 HG SER 29 HG SER 29 -5.333 -13.161 -6.079 213 H ASP 30 H ASP 30 -4.941 -14.105 -0.927 214 HA ASP 30 HA ASP 30 -4.076 -16.915 -1.029 215 1HB ASP 30 2HB ASP 30 -3.462 -15.051 0.843 216 2HB ASP 30 1HB ASP 30 -4.901 -15.768 1.568 217 H HIS 31 H HIS 31 -5.614 -17.827 1.141 218 HA HIS 31 HA HIS 31 -7.925 -18.716 -0.094 219 1HB HIS 31 2HB HIS 31 -8.687 -19.374 2.175 220 2HB HIS 31 1HB HIS 31 -7.018 -19.836 1.855 221 HD1 HIS 31 1HD HIS 31 -5.157 -18.318 3.024 222 HD2 HIS 31 2HD HIS 31 -9.052 -17.762 4.361 223 HE1 HIS 31 1HE HIS 31 -4.949 -17.094 5.210 224 HE2 HIS 31 2HE HIS 31 -7.314 -16.844 6.042 225 H ARG 32 H ARG 32 -7.530 -16.008 2.165 226 HA ARG 32 HA ARG 32 -10.217 -15.267 2.354 227 1HB ARG 32 2HB ARG 32 -7.609 -13.900 2.789 228 2HB ARG 32 1HB ARG 32 -9.047 -12.888 2.667 229 1HG ARG 32 2HG ARG 32 -10.074 -14.052 4.512 230 2HG ARG 32 1HG ARG 32 -8.721 -15.183 4.590 231 1HD ARG 32 2HD ARG 32 -7.284 -13.047 4.904 232 2HD ARG 32 1HD ARG 32 -8.814 -12.285 5.335 233 HE ARG 32 HE ARG 32 -8.547 -14.646 6.816 234 1HH1 ARG 32 1HH1 ARG 32 -7.080 -11.489 6.565 235 2HH1 ARG 32 2HH1 ARG 32 -6.598 -11.444 8.227 236 1HH2 ARG 32 1HH2 ARG 32 -7.912 -14.588 9.003 237 2HH2 ARG 32 2HH2 ARG 32 -7.069 -13.202 9.611 238 H GLY 33 H GLY 33 -7.914 -14.828 -0.195 239 1HA GLY 33 2HA GLY 33 -8.991 -14.462 -2.409 240 2HA GLY 33 1HA GLY 33 -9.876 -13.149 -1.636 241 H THR 34 H THR 34 -9.076 -11.664 -3.163 242 HA THR 34 HA THR 34 -6.193 -11.126 -3.048 243 HB THR 34 HB THR 34 -8.142 -9.829 -4.942 244 HG1 THR 34 1HG THR 34 -6.918 -12.366 -5.134 245 1HG2 THR 34 1HG2 THR 34 -5.822 -10.307 -6.293 246 2HG2 THR 34 2HG2 THR 34 -5.243 -9.917 -4.674 247 3HG2 THR 34 3HG2 THR 34 -6.274 -8.778 -5.540 248 H ILE 35 H ILE 35 -5.418 -9.371 -2.044 249 HA ILE 35 HA ILE 35 -7.231 -7.137 -1.470 250 HB ILE 35 HB ILE 35 -5.447 -8.298 0.662 251 1HG1 ILE 35 2HG1 ILE 35 -8.441 -8.609 0.362 252 2HG1 ILE 35 1HG1 ILE 35 -7.261 -9.881 0.067 253 1HG2 ILE 35 1HG2 ILE 35 -7.622 -6.213 0.719 254 2HG2 ILE 35 2HG2 ILE 35 -5.893 -5.948 0.943 255 3HG2 ILE 35 3HG2 ILE 35 -6.808 -6.860 2.144 256 1HD1 ILE 35 1HD1 ILE 35 -7.757 -10.437 2.182 257 2HD1 ILE 35 2HD1 ILE 35 -8.304 -8.813 2.597 258 3HD1 ILE 35 3HD1 ILE 35 -6.580 -9.182 2.569 259 H ILE 36 H ILE 36 -6.169 -5.145 -0.985 260 HA ILE 36 HA ILE 36 -3.284 -5.053 -1.474 261 HB ILE 36 HB ILE 36 -3.487 -3.261 -3.103 262 1HG1 ILE 36 2HG1 ILE 36 -6.468 -3.684 -2.789 263 2HG1 ILE 36 1HG1 ILE 36 -5.562 -2.231 -2.383 264 1HG2 ILE 36 1HG2 ILE 36 -3.975 -5.917 -3.566 265 2HG2 ILE 36 2HG2 ILE 36 -3.645 -4.705 -4.802 266 3HG2 ILE 36 3HG2 ILE 36 -5.310 -5.130 -4.405 267 1HD1 ILE 36 1HD1 ILE 36 -6.634 -3.119 -4.937 268 2HD1 ILE 36 2HD1 ILE 36 -4.958 -2.576 -5.025 269 3HD1 ILE 36 3HD1 ILE 36 -6.200 -1.501 -4.383 270 H GLU 37 H GLU 37 -2.285 -3.699 -0.078 271 HA GLU 37 HA GLU 37 -3.911 -1.586 1.177 272 1HB GLU 37 2HB GLU 37 -1.960 -2.060 3.029 273 2HB GLU 37 1HB GLU 37 -3.595 -2.716 3.095 274 1HG GLU 37 2HG GLU 37 -2.879 -4.783 2.168 275 2HG GLU 37 1HG GLU 37 -1.283 -4.136 1.796 276 H ARG 38 H ARG 38 -2.597 0.222 2.069 277 HA ARG 38 HA ARG 38 -0.072 0.643 0.635 278 1HB ARG 38 2HB ARG 38 -2.306 2.675 0.715 279 2HB ARG 38 1HB ARG 38 -0.741 2.876 -0.057 280 1HG ARG 38 2HG ARG 38 -1.549 2.033 -1.932 281 2HG ARG 38 1HG ARG 38 -1.930 0.524 -1.102 282 1HD ARG 38 2HD ARG 38 -4.117 1.167 -0.668 283 2HD ARG 38 1HD ARG 38 -3.753 2.882 -0.853 284 HE ARG 38 HE ARG 38 -4.224 2.681 -3.072 285 1HH1 ARG 38 1HH1 ARG 38 -3.498 -0.494 -1.817 286 2HH1 ARG 38 2HH1 ARG 38 -3.880 -1.302 -3.299 287 1HH2 ARG 38 1HH2 ARG 38 -4.728 1.618 -5.021 288 2HH2 ARG 38 2HH2 ARG 38 -4.578 -0.104 -5.118 289 H GLY 39 H GLY 39 0.636 3.091 1.372 290 1HA GLY 39 2HA GLY 39 0.137 4.188 3.790 291 2HA GLY 39 1HA GLY 39 1.118 2.791 4.208 292 H CYS 40 H CYS 40 2.625 4.400 5.054 293 HA CYS 40 HA CYS 40 4.297 5.535 2.910 294 1HB CYS 40 2HB CYS 40 3.210 6.763 5.352 295 2HB CYS 40 1HB CYS 40 4.933 7.047 5.100 296 H GLY 41 H GLY 41 6.307 4.777 2.826 297 1HA GLY 41 2HA GLY 41 8.327 4.482 4.381 298 2HA GLY 41 1HA GLY 41 7.310 3.266 5.150 299 H CYS 42 H CYS 42 9.024 1.758 4.661 300 HA CYS 42 HA CYS 42 8.552 0.402 2.174 301 1HB CYS 42 2HB CYS 42 10.249 2.174 1.586 302 2HB CYS 42 1HB CYS 42 11.367 1.374 2.695 303 HA PRO 43 HA PRO 43 10.024 -2.158 5.812 304 1HB PRO 43 2HB PRO 43 7.712 -3.300 6.540 305 2HB PRO 43 1HB PRO 43 8.159 -1.679 7.100 306 1HG PRO 43 2HG PRO 43 6.294 -2.479 4.897 307 2HG PRO 43 1HG PRO 43 6.100 -1.211 6.126 308 1HD PRO 43 2HD PRO 43 6.929 -0.746 3.545 309 2HD PRO 43 1HD PRO 43 7.322 0.304 4.923 310 H LYS 44 H LYS 44 9.531 -4.617 6.122 311 HA LYS 44 HA LYS 44 9.558 -5.827 3.446 312 1HB LYS 44 2HB LYS 44 10.861 -6.485 6.041 313 2HB LYS 44 1HB LYS 44 10.437 -7.825 4.985 314 1HG LYS 44 2HG LYS 44 12.086 -7.373 3.548 315 2HG LYS 44 1HG LYS 44 11.805 -5.633 3.620 316 1HD LYS 44 2HD LYS 44 13.194 -7.212 5.781 317 2HD LYS 44 1HD LYS 44 14.035 -6.359 4.486 318 1HE LYS 44 2HE LYS 44 13.464 -4.279 5.302 319 2HE LYS 44 1HE LYS 44 12.053 -4.890 6.166 320 1HZ LYS 44 1HZ LYS 44 13.583 -5.992 7.724 321 2HZ LYS 44 2HZ LYS 44 13.765 -4.311 7.724 322 3HZ LYS 44 3HZ LYS 44 14.897 -5.284 6.927 323 H VAL 45 H VAL 45 8.928 -8.366 3.804 324 HA VAL 45 HA VAL 45 6.542 -8.644 5.424 325 HB VAL 45 HB VAL 45 5.206 -9.436 3.413 326 1HG1 VAL 45 1HG1 VAL 45 5.661 -6.541 3.034 327 2HG1 VAL 45 2HG1 VAL 45 5.256 -7.072 4.666 328 3HG1 VAL 45 3HG1 VAL 45 4.166 -7.428 3.326 329 1HG2 VAL 45 1HG2 VAL 45 7.101 -9.578 1.851 330 2HG2 VAL 45 2HG2 VAL 45 7.274 -7.825 1.919 331 3HG2 VAL 45 3HG2 VAL 45 5.813 -8.540 1.238 332 H LYS 46 H LYS 46 5.497 -10.890 4.842 333 HA LYS 46 HA LYS 46 7.557 -12.818 5.204 334 1HB LYS 46 2HB LYS 46 4.589 -12.795 5.347 335 2HB LYS 46 1HB LYS 46 5.380 -14.346 5.114 336 1HG LYS 46 2HG LYS 46 6.595 -12.766 7.232 337 2HG LYS 46 1HG LYS 46 4.892 -13.121 7.521 338 1HD LYS 46 2HD LYS 46 6.733 -15.302 6.631 339 2HD LYS 46 1HD LYS 46 6.733 -14.792 8.320 340 1HE LYS 46 2HE LYS 46 5.062 -16.261 8.570 341 2HE LYS 46 1HE LYS 46 4.062 -15.034 7.793 342 1HZ LYS 46 1HZ LYS 46 5.526 -16.869 6.056 343 2HZ LYS 46 2HZ LYS 46 3.992 -16.184 5.857 344 3HZ LYS 46 3HZ LYS 46 4.201 -17.498 6.901 345 HA PRO 47 HA PRO 47 7.667 -14.494 1.130 346 1HB PRO 47 2HB PRO 47 7.624 -17.229 1.643 347 2HB PRO 47 1HB PRO 47 9.038 -16.195 1.692 348 1HG PRO 47 2HG PRO 47 7.710 -17.482 3.840 349 2HG PRO 47 1HG PRO 47 9.198 -16.541 3.874 350 1HD PRO 47 2HD PRO 47 6.540 -15.785 4.724 351 2HD PRO 47 1HD PRO 47 8.079 -14.931 4.947 352 H GLY 48 H GLY 48 5.470 -13.693 0.689 353 1HA GLY 48 2HA GLY 48 3.907 -15.477 -0.711 354 2HA GLY 48 1HA GLY 48 3.214 -15.433 0.909 355 H VAL 49 H VAL 49 3.918 -12.643 1.341 356 HA VAL 49 HA VAL 49 1.712 -11.448 -0.157 357 HB VAL 49 HB VAL 49 3.251 -10.297 2.175 358 1HG1 VAL 49 1HG1 VAL 49 0.618 -9.295 2.014 359 2HG1 VAL 49 2HG1 VAL 49 1.311 -9.186 0.396 360 3HG1 VAL 49 3HG1 VAL 49 2.132 -8.426 1.760 361 1HG2 VAL 49 1HG2 VAL 49 0.834 -12.058 2.053 362 2HG2 VAL 49 2HG2 VAL 49 1.033 -10.904 3.372 363 3HG2 VAL 49 3HG2 VAL 49 2.241 -12.162 3.110 364 H ASN 50 H ASN 50 1.941 -9.741 -1.539 365 HA ASN 50 HA ASN 50 4.666 -9.124 -2.371 366 1HB ASN 50 2HB ASN 50 2.210 -8.040 -3.715 367 2HB ASN 50 1HB ASN 50 3.790 -8.401 -4.413 368 1HD2 ASN 50 1HD2 ASN 50 0.657 -9.439 -4.096 369 2HD2 ASN 50 2HD2 ASN 50 0.868 -11.097 -4.569 370 H LEU 51 H LEU 51 5.412 -6.990 -2.664 371 HA LEU 51 HA LEU 51 3.935 -4.767 -1.585 372 1HB LEU 51 2HB LEU 51 5.024 -6.034 0.357 373 2HB LEU 51 1HB LEU 51 6.556 -5.486 -0.293 374 HG LEU 51 HG LEU 51 4.890 -3.203 -0.065 375 1HD1 LEU 51 1HD1 LEU 51 4.009 -5.102 1.727 376 2HD1 LEU 51 2HD1 LEU 51 3.761 -3.360 1.846 377 3HD1 LEU 51 3HD1 LEU 51 5.119 -4.116 2.680 378 1HD2 LEU 51 1HD2 LEU 51 7.454 -4.216 0.961 379 2HD2 LEU 51 2HD2 LEU 51 6.689 -2.963 1.939 380 3HD2 LEU 51 3HD2 LEU 51 7.053 -2.657 0.241 381 H ASN 52 H ASN 52 4.917 -2.727 -2.097 382 HA ASN 52 HA ASN 52 7.476 -2.685 -3.411 383 1HB ASN 52 2HB ASN 52 6.889 -2.488 -5.587 384 2HB ASN 52 1HB ASN 52 5.450 -3.352 -5.067 385 1HD2 ASN 52 1HD2 ASN 52 3.692 -1.828 -4.203 386 2HD2 ASN 52 2HD2 ASN 52 3.378 -0.431 -5.171 387 H CYS 53 H CYS 53 8.446 -0.916 -2.754 388 HA CYS 53 HA CYS 53 6.944 1.340 -1.721 389 1HB CYS 53 2HB CYS 53 9.932 1.285 -1.939 390 2HB CYS 53 1HB CYS 53 8.911 1.992 -0.692 391 H CYS 54 H CYS 54 7.308 3.513 -2.415 392 HA CYS 54 HA CYS 54 8.702 4.011 -4.895 393 1HB CYS 54 2HB CYS 54 6.510 5.050 -5.852 394 2HB CYS 54 1HB CYS 54 6.793 3.317 -6.024 395 H ARG 55 H ARG 55 8.750 6.194 -5.493 396 HA ARG 55 HA ARG 55 8.314 7.979 -3.215 397 1HB ARG 55 2HB ARG 55 10.364 8.865 -5.021 398 2HB ARG 55 1HB ARG 55 10.464 8.505 -3.307 399 1HG ARG 55 2HG ARG 55 10.662 6.071 -3.982 400 2HG ARG 55 1HG ARG 55 10.932 6.671 -5.625 401 1HD ARG 55 2HD ARG 55 13.022 7.328 -5.158 402 2HD ARG 55 1HD ARG 55 12.557 8.019 -3.605 403 HE ARG 55 HE ARG 55 12.482 5.363 -3.131 404 1HH1 ARG 55 1HH1 ARG 55 14.906 7.457 -4.517 405 2HH1 ARG 55 2HH1 ARG 55 16.234 6.492 -3.966 406 1HH2 ARG 55 1HH2 ARG 55 14.228 4.092 -2.406 407 2HH2 ARG 55 2HH2 ARG 55 15.849 4.583 -2.768 408 H THR 56 H THR 56 6.319 7.622 -5.185 409 HA THR 56 HA THR 56 6.365 10.286 -6.429 410 HB THR 56 HB THR 56 4.876 8.174 -7.872 411 HG1 THR 56 1HG THR 56 6.798 7.449 -8.885 412 1HG2 THR 56 1HG2 THR 56 4.827 10.058 -9.123 413 2HG2 THR 56 2HG2 THR 56 6.315 9.350 -9.750 414 3HG2 THR 56 3HG2 THR 56 6.389 10.627 -8.536 415 H ASP 57 H ASP 57 4.326 11.299 -6.668 416 HA ASP 57 HA ASP 57 2.529 10.829 -4.546 417 1HB ASP 57 2HB ASP 57 2.598 12.638 -6.918 418 2HB ASP 57 1HB ASP 57 1.056 12.423 -6.087 419 H ARG 58 H ARG 58 0.805 9.532 -4.387 420 HA ARG 58 HA ARG 58 -0.793 7.995 -4.907 421 1HB ARG 58 2HB ARG 58 -0.764 9.559 -7.492 422 2HB ARG 58 1HB ARG 58 -1.921 8.271 -7.153 423 1HG ARG 58 2HG ARG 58 -2.620 9.560 -5.124 424 2HG ARG 58 1HG ARG 58 -1.606 10.885 -5.700 425 1HD ARG 58 2HD ARG 58 -3.341 9.897 -7.793 426 2HD ARG 58 1HD ARG 58 -4.264 10.383 -6.372 427 HE ARG 58 HE ARG 58 -2.360 12.365 -6.998 428 1HH1 ARG 58 1HH1 ARG 58 -5.373 11.036 -8.156 429 2HH1 ARG 58 2HH1 ARG 58 -5.879 12.512 -8.908 430 1HH2 ARG 58 1HH2 ARG 58 -3.025 14.307 -7.987 431 2HH2 ARG 58 2HH2 ARG 58 -4.545 14.368 -8.812 432 H CYS 59 H CYS 59 2.053 7.465 -5.434 433 HA CYS 59 HA CYS 59 2.352 5.959 -7.801 434 1HB CYS 59 2HB CYS 59 4.427 5.209 -6.833 435 2HB CYS 59 1HB CYS 59 4.218 6.922 -6.478 436 H ASN 60 H ASN 60 1.156 5.192 -4.610 437 HA ASN 60 HA ASN 60 1.088 2.329 -5.226 438 1HB ASN 60 2HB ASN 60 0.243 2.167 -2.833 439 2HB ASN 60 1HB ASN 60 1.894 2.763 -3.033 440 1HD2 ASN 60 1HD2 ASN 60 1.413 3.511 -0.809 441 2HD2 ASN 60 2HD2 ASN 60 0.687 5.079 -0.627 442 H ASN 61 H ASN 61 -0.628 4.205 -6.651 443 HA ASN 61 HA ASN 61 -3.257 4.172 -5.656 444 1HB ASN 61 2HB ASN 61 -3.905 4.812 -7.912 445 2HB ASN 61 1HB ASN 61 -2.466 5.696 -7.431 446 1HD2 ASN 61 1HD2 ASN 61 -0.648 5.499 -8.598 447 2HD2 ASN 61 2HD2 ASN 61 -0.485 4.486 -9.998 Start of MODEL 11 1 1H LEU 1 1HT LEU 1 4.960 15.980 -2.423 2 2H LEU 1 2HT LEU 1 4.962 14.815 -1.162 3 3H LEU 1 3HT LEU 1 3.807 16.085 -1.160 4 HA LEU 1 HA LEU 1 3.015 15.190 -3.315 5 1HB LEU 1 2HB LEU 1 3.583 12.914 -3.832 6 2HB LEU 1 1HB LEU 1 5.057 13.858 -3.709 7 HG LEU 1 HG LEU 1 4.270 12.581 -1.203 8 1HD1 LEU 1 1HD1 LEU 1 5.136 10.835 -3.503 9 2HD1 LEU 1 2HD1 LEU 1 3.511 10.872 -2.818 10 3HD1 LEU 1 3HD1 LEU 1 4.870 10.331 -1.833 11 1HD2 LEU 1 1HD2 LEU 1 6.502 13.727 -2.144 12 2HD2 LEU 1 2HD2 LEU 1 6.854 12.039 -2.517 13 3HD2 LEU 1 3HD2 LEU 1 6.500 12.520 -0.858 14 H GLU 2 H GLU 2 1.591 12.997 -3.185 15 HA GLU 2 HA GLU 2 0.618 12.592 -0.466 16 1HB GLU 2 2HB GLU 2 -0.855 14.007 -2.620 17 2HB GLU 2 1HB GLU 2 -1.773 12.853 -1.663 18 1HG GLU 2 2HG GLU 2 -1.106 14.032 0.380 19 2HG GLU 2 1HG GLU 2 -0.219 15.201 -0.598 20 H CYS 3 H CYS 3 0.851 10.445 -0.328 21 HA CYS 3 HA CYS 3 0.446 8.713 -2.580 22 1HB CYS 3 2HB CYS 3 0.810 7.898 0.303 23 2HB CYS 3 1HB CYS 3 1.185 6.969 -1.146 24 H HIS 4 H HIS 4 -0.721 6.488 -1.409 25 HA HIS 4 HA HIS 4 -3.462 7.418 -0.860 26 1HB HIS 4 2HB HIS 4 -2.474 5.186 -2.620 27 2HB HIS 4 1HB HIS 4 -4.114 5.177 -1.968 28 HD1 HIS 4 1HD HIS 4 -5.259 7.789 -2.438 29 HD2 HIS 4 2HD HIS 4 -2.511 6.187 -5.114 30 HE1 HIS 4 1HE HIS 4 -5.645 9.005 -4.604 31 HE2 HIS 4 2HE HIS 4 -4.059 7.930 -6.239 32 H ASN 5 H ASN 5 -4.814 5.802 0.282 33 HA ASN 5 HA ASN 5 -3.448 3.779 1.827 34 1HB ASN 5 2HB ASN 5 -4.056 4.717 4.014 35 2HB ASN 5 1HB ASN 5 -2.971 5.804 3.139 36 1HD2 ASN 5 1HD2 ASN 5 -5.704 5.648 4.955 37 2HD2 ASN 5 2HD2 ASN 5 -6.455 7.139 4.474 38 H GLN 6 H GLN 6 -5.344 3.331 0.000 39 HA GLN 6 HA GLN 6 -7.798 2.867 1.565 40 1HB GLN 6 2HB GLN 6 -8.949 2.764 -0.673 41 2HB GLN 6 1HB GLN 6 -8.331 4.347 -0.221 42 1HG GLN 6 2HG GLN 6 -6.998 4.443 -1.992 43 2HG GLN 6 1HG GLN 6 -6.386 2.812 -1.719 44 1HE2 GLN 6 1HE2 GLN 6 -6.815 3.803 -4.252 45 2HE2 GLN 6 2HE2 GLN 6 -8.134 2.945 -4.986 46 H GLN 7 H GLN 7 -7.713 0.827 2.278 47 HA GLN 7 HA GLN 7 -6.485 -1.281 0.756 48 1HB GLN 7 2HB GLN 7 -7.391 -2.693 2.669 49 2HB GLN 7 1HB GLN 7 -6.218 -1.461 3.097 50 1HG GLN 7 2HG GLN 7 -7.794 -0.137 4.137 51 2HG GLN 7 1HG GLN 7 -9.137 -0.861 3.253 52 1HE2 GLN 7 1HE2 GLN 7 -10.366 -2.164 4.386 53 2HE2 GLN 7 2HE2 GLN 7 -9.885 -3.071 5.786 54 H SER 8 H SER 8 -8.061 -3.460 1.029 55 HA SER 8 HA SER 8 -9.818 -3.338 -1.089 56 1HB SER 8 2HB SER 8 -10.789 -5.440 -0.258 57 2HB SER 8 1HB SER 8 -9.022 -5.462 -0.170 58 HG SER 8 HG SER 8 -9.910 -6.242 1.757 59 H SER 9 H SER 9 -11.539 -2.137 -1.344 60 HA SER 9 HA SER 9 -13.948 -2.242 -0.234 61 1HB SER 9 2HB SER 9 -12.145 -0.777 1.625 62 2HB SER 9 1HB SER 9 -13.742 -0.081 1.358 63 HG SER 9 HG SER 9 -14.510 -1.565 2.612 64 H GLN 10 H GLN 10 -14.931 -1.327 -1.909 65 HA GLN 10 HA GLN 10 -14.001 0.456 -3.722 66 1HB GLN 10 2HB GLN 10 -16.863 0.610 -2.802 67 2HB GLN 10 1HB GLN 10 -16.217 0.832 -4.422 68 1HG GLN 10 2HG GLN 10 -16.806 -1.252 -4.822 69 2HG GLN 10 1HG GLN 10 -15.480 -1.747 -3.765 70 1HE2 GLN 10 1HE2 GLN 10 -16.692 -0.740 -1.351 71 2HE2 GLN 10 2HE2 GLN 10 -18.004 -1.807 -0.966 72 H ALA 11 H ALA 11 -14.619 2.744 -4.132 73 HA ALA 11 HA ALA 11 -14.750 4.955 -3.573 74 1HB ALA 11 1HB ALA 11 -15.186 4.483 -0.683 75 2HB ALA 11 2HB ALA 11 -16.427 3.889 -1.786 76 3HB ALA 11 3HB ALA 11 -15.992 5.598 -1.787 77 HA PRO 12 HA PRO 12 -10.284 4.168 -2.230 78 1HB PRO 12 2HB PRO 12 -10.242 6.382 -4.254 79 2HB PRO 12 1HB PRO 12 -9.060 5.093 -3.975 80 1HG PRO 12 2HG PRO 12 -10.746 4.842 -5.973 81 2HG PRO 12 1HG PRO 12 -10.445 3.454 -4.900 82 1HD PRO 12 2HD PRO 12 -12.803 5.297 -4.993 83 2HD PRO 12 1HD PRO 12 -12.752 3.539 -4.715 84 H THR 13 H THR 13 -8.693 5.924 -1.540 85 HA THR 13 HA THR 13 -9.888 8.399 -0.617 86 HB THR 13 HB THR 13 -10.449 6.819 1.181 87 HG1 THR 13 1HG THR 13 -8.347 8.524 2.011 88 1HG2 THR 13 1HG2 THR 13 -8.213 6.270 2.574 89 2HG2 THR 13 2HG2 THR 13 -7.626 6.071 0.923 90 3HG2 THR 13 3HG2 THR 13 -9.009 5.133 1.485 91 H THR 14 H THR 14 -8.251 9.830 0.415 92 HA THR 14 HA THR 14 -5.503 9.175 -0.393 93 HB THR 14 HB THR 14 -5.172 11.325 -1.385 94 HG1 THR 14 1HG THR 14 -7.764 11.914 -0.416 95 1HG2 THR 14 1HG2 THR 14 -7.751 11.093 -2.647 96 2HG2 THR 14 2HG2 THR 14 -6.969 9.522 -2.478 97 3HG2 THR 14 3HG2 THR 14 -6.139 10.835 -3.313 98 H LYS 15 H LYS 15 -3.855 10.217 0.789 99 HA LYS 15 HA LYS 15 -4.494 11.996 2.953 100 1HB LYS 15 2HB LYS 15 -4.875 9.391 3.572 101 2HB LYS 15 1HB LYS 15 -3.169 9.552 3.965 102 1HG LYS 15 2HG LYS 15 -3.942 10.200 5.963 103 2HG LYS 15 1HG LYS 15 -4.166 11.759 5.166 104 1HD LYS 15 2HD LYS 15 -6.412 11.585 5.185 105 2HD LYS 15 1HD LYS 15 -6.381 9.858 4.820 106 1HE LYS 15 2HE LYS 15 -5.665 10.986 7.517 107 2HE LYS 15 1HE LYS 15 -7.302 10.495 7.084 108 1HZ LYS 15 1HZ LYS 15 -6.772 8.323 7.183 109 2HZ LYS 15 2HZ LYS 15 -5.539 8.863 8.206 110 3HZ LYS 15 3HZ LYS 15 -5.207 8.545 6.579 111 H THR 16 H THR 16 -2.280 11.731 4.525 112 HA THR 16 HA THR 16 0.082 11.595 2.851 113 HB THR 16 HB THR 16 -0.176 14.150 4.345 114 HG1 THR 16 1HG THR 16 -1.311 15.100 2.648 115 1HG2 THR 16 1HG2 THR 16 0.727 14.682 1.810 116 2HG2 THR 16 2HG2 THR 16 1.399 13.087 2.154 117 3HG2 THR 16 3HG2 THR 16 1.728 14.436 3.243 118 H CYS 17 H CYS 17 2.021 12.509 4.324 119 HA CYS 17 HA CYS 17 1.636 11.704 7.106 120 1HB CYS 17 2HB CYS 17 3.984 10.587 5.600 121 2HB CYS 17 1HB CYS 17 3.287 10.045 7.127 122 H SER 18 H SER 18 3.332 12.406 8.523 123 HA SER 18 HA SER 18 4.409 14.948 7.773 124 1HB SER 18 2HB SER 18 5.603 14.469 10.142 125 2HB SER 18 1HB SER 18 3.937 15.031 10.005 126 HG SER 18 HG SER 18 3.212 13.077 10.517 127 H GLY 19 H GLY 19 6.383 15.428 7.016 128 1HA GLY 19 2HA GLY 19 8.525 15.149 6.235 129 2HA GLY 19 1HA GLY 19 8.758 14.065 7.606 130 H GLU 20 H GLU 20 6.521 13.702 4.894 131 HA GLU 20 HA GLU 20 6.971 11.005 4.485 132 1HB GLU 20 2HB GLU 20 5.743 13.202 2.950 133 2HB GLU 20 1HB GLU 20 6.275 11.827 1.982 134 1HG GLU 20 2HG GLU 20 4.999 10.476 3.861 135 2HG GLU 20 1HG GLU 20 4.131 12.003 4.024 136 H THR 21 H THR 21 8.552 9.844 3.624 137 HA THR 21 HA THR 21 10.580 11.227 1.996 138 HB THR 21 HB THR 21 11.422 8.707 3.223 139 HG1 THR 21 1HG THR 21 10.595 10.869 4.843 140 1HG2 THR 21 1HG2 THR 21 12.740 11.273 3.854 141 2HG2 THR 21 2HG2 THR 21 12.758 10.746 2.172 142 3HG2 THR 21 3HG2 THR 21 13.435 9.709 3.427 143 H ASN 22 H ASN 22 9.048 8.090 2.575 144 HA ASN 22 HA ASN 22 8.876 7.630 -0.285 145 1HB ASN 22 2HB ASN 22 9.949 5.286 1.175 146 2HB ASN 22 1HB ASN 22 10.261 5.832 -0.473 147 1HD2 ASN 22 1HD2 ASN 22 11.629 5.344 2.445 148 2HD2 ASN 22 2HD2 ASN 22 12.961 6.454 2.341 149 H CYS 23 H CYS 23 7.240 6.205 -0.854 150 HA CYS 23 HA CYS 23 5.550 5.284 1.368 151 1HB CYS 23 2HB CYS 23 4.928 6.532 -1.265 152 2HB CYS 23 1HB CYS 23 3.806 5.325 -0.640 153 H TYR 24 H TYR 24 3.914 3.522 0.252 154 HA TYR 24 HA TYR 24 5.273 1.739 -1.543 155 1HB TYR 24 2HB TYR 24 5.383 -0.167 0.037 156 2HB TYR 24 1HB TYR 24 6.467 1.154 0.474 157 HD1 TYR 24 1HD TYR 24 5.695 2.764 2.302 158 HD2 TYR 24 2HD TYR 24 3.811 -0.979 1.572 159 HE1 TYR 24 1HE TYR 24 4.712 2.824 4.555 160 HE2 TYR 24 2HE TYR 24 2.823 -0.924 3.824 161 HH TYR 24 HH TYR 24 2.211 0.826 5.525 162 H LYS 25 H LYS 25 4.085 -0.447 -1.570 163 HA LYS 25 HA LYS 25 1.285 -0.367 -0.891 164 1HB LYS 25 2HB LYS 25 1.687 0.848 -3.192 165 2HB LYS 25 1HB LYS 25 1.857 -0.799 -3.799 166 1HG LYS 25 2HG LYS 25 -0.386 -1.259 -2.691 167 2HG LYS 25 1HG LYS 25 -0.545 0.493 -2.564 168 1HD LYS 25 2HD LYS 25 -0.695 0.778 -4.845 169 2HD LYS 25 1HD LYS 25 0.184 -0.711 -5.194 170 1HE LYS 25 2HE LYS 25 -1.905 -1.834 -4.074 171 2HE LYS 25 1HE LYS 25 -2.690 -0.314 -4.500 172 1HZ LYS 25 1HZ LYS 25 -1.690 -2.441 -6.233 173 2HZ LYS 25 2HZ LYS 25 -1.544 -0.854 -6.802 174 3HZ LYS 25 3HZ LYS 25 -3.066 -1.470 -6.396 175 H LYS 26 H LYS 26 0.822 -2.359 -0.226 176 HA LYS 26 HA LYS 26 2.332 -4.588 -1.421 177 1HB LYS 26 2HB LYS 26 1.813 -5.736 0.823 178 2HB LYS 26 1HB LYS 26 3.077 -4.526 0.774 179 1HG LYS 26 2HG LYS 26 0.494 -3.370 1.381 180 2HG LYS 26 1HG LYS 26 0.958 -4.622 2.535 181 1HD LYS 26 2HD LYS 26 3.172 -2.862 1.905 182 2HD LYS 26 1HD LYS 26 1.785 -1.971 2.531 183 1HE LYS 26 2HE LYS 26 1.953 -2.890 4.589 184 2HE LYS 26 1HE LYS 26 2.467 -4.455 3.962 185 1HZ LYS 26 1HZ LYS 26 4.593 -3.936 4.271 186 2HZ LYS 26 2HZ LYS 26 4.061 -2.617 5.187 187 3HZ LYS 26 3HZ LYS 26 4.430 -2.414 3.549 188 H TRP 27 H TRP 27 1.303 -6.622 -1.496 189 HA TRP 27 HA TRP 27 -1.500 -6.863 -1.011 190 1HB TRP 27 2HB TRP 27 -2.091 -7.439 -3.376 191 2HB TRP 27 1HB TRP 27 -1.779 -5.751 -3.094 192 HD1 TRP 27 HD TRP 27 -0.692 -8.641 -5.073 193 HE1 TRP 27 1HE TRP 27 1.147 -7.956 -6.718 194 HE3 TRP 27 3HE TRP 27 0.311 -3.962 -3.278 195 HZ2 TRP 27 2HZ TRP 27 2.815 -5.736 -7.209 196 HZ3 TRP 27 3HZ TRP 27 2.039 -2.626 -4.398 197 HH2 TRP 27 HH TRP 27 3.265 -3.491 -6.321 198 H TRP 28 H TRP 28 -2.310 -8.984 -1.445 199 HA TRP 28 HA TRP 28 -0.438 -11.058 -2.197 200 1HB TRP 28 2HB TRP 28 -0.607 -12.241 -0.012 201 2HB TRP 28 1HB TRP 28 0.229 -10.696 0.113 202 HD1 TRP 28 HD TRP 28 -2.944 -12.443 1.165 203 HE1 TRP 28 1HE TRP 28 -4.119 -10.999 2.904 204 HE3 TRP 28 3HE TRP 28 -0.050 -8.244 0.883 205 HZ2 TRP 28 2HZ TRP 28 -3.884 -8.439 4.057 206 HZ3 TRP 28 3HZ TRP 28 -0.589 -6.340 2.345 207 HH2 TRP 28 HH TRP 28 -2.471 -6.438 3.900 208 H SER 29 H SER 29 -1.565 -13.284 -1.436 209 HA SER 29 HA SER 29 -4.457 -13.151 -1.762 210 1HB SER 29 2HB SER 29 -3.112 -15.127 -3.528 211 2HB SER 29 1HB SER 29 -4.601 -14.210 -3.786 212 HG SER 29 HG SER 29 -2.886 -13.530 -5.161 213 H ASP 30 H ASP 30 -5.454 -14.659 -0.546 214 HA ASP 30 HA ASP 30 -3.805 -16.895 0.442 215 1HB ASP 30 2HB ASP 30 -4.154 -15.293 2.231 216 2HB ASP 30 1HB ASP 30 -5.896 -15.313 1.955 217 H HIS 31 H HIS 31 -7.209 -16.444 1.197 218 HA HIS 31 HA HIS 31 -7.911 -18.572 -0.693 219 1HB HIS 31 2HB HIS 31 -9.361 -19.583 1.114 220 2HB HIS 31 1HB HIS 31 -7.626 -19.773 1.347 221 HD1 HIS 31 1HD HIS 31 -10.507 -17.654 2.600 222 HD2 HIS 31 2HD HIS 31 -6.681 -18.821 3.725 223 HE1 HIS 31 1HE HIS 31 -10.212 -16.814 4.951 224 HE2 HIS 31 2HE HIS 31 -7.855 -17.450 5.577 225 H ARG 32 H ARG 32 -9.117 -16.138 1.591 226 HA ARG 32 HA ARG 32 -11.748 -16.055 0.557 227 1HB ARG 32 2HB ARG 32 -10.114 -14.411 2.403 228 2HB ARG 32 1HB ARG 32 -11.470 -13.590 1.629 229 1HG ARG 32 2HG ARG 32 -13.040 -14.920 2.668 230 2HG ARG 32 1HG ARG 32 -11.896 -16.235 2.947 231 1HD ARG 32 2HD ARG 32 -10.701 -14.433 4.446 232 2HD ARG 32 1HD ARG 32 -12.311 -13.714 4.480 233 HE ARG 32 HE ARG 32 -12.282 -16.520 5.108 234 1HH1 ARG 32 1HH1 ARG 32 -11.940 -13.296 6.400 235 2HH1 ARG 32 2HH1 ARG 32 -12.376 -13.761 8.010 236 1HH2 ARG 32 1HH2 ARG 32 -12.855 -17.132 7.224 237 2HH2 ARG 32 2HH2 ARG 32 -12.894 -15.940 8.479 238 H GLY 33 H GLY 33 -8.753 -14.643 -0.459 239 1HA GLY 33 2HA GLY 33 -9.303 -14.062 -3.005 240 2HA GLY 33 1HA GLY 33 -10.045 -12.690 -2.183 241 H THR 34 H THR 34 -8.672 -11.166 -3.039 242 HA THR 34 HA THR 34 -5.857 -11.346 -2.183 243 HB THR 34 HB THR 34 -6.182 -9.380 -4.230 244 HG1 THR 34 1HG THR 34 -6.951 -10.685 -5.900 245 1HG2 THR 34 1HG2 THR 34 -4.711 -11.947 -3.943 246 2HG2 THR 34 2HG2 THR 34 -4.098 -10.311 -4.185 247 3HG2 THR 34 3HG2 THR 34 -4.828 -11.187 -5.530 248 H ILE 35 H ILE 35 -4.991 -9.677 -1.051 249 HA ILE 35 HA ILE 35 -6.758 -7.381 -0.495 250 HB ILE 35 HB ILE 35 -4.742 -8.520 1.436 251 1HG1 ILE 35 2HG1 ILE 35 -7.741 -8.909 1.485 252 2HG1 ILE 35 1HG1 ILE 35 -6.603 -10.125 0.913 253 1HG2 ILE 35 1HG2 ILE 35 -5.898 -7.143 3.072 254 2HG2 ILE 35 2HG2 ILE 35 -7.022 -6.586 1.832 255 3HG2 ILE 35 3HG2 ILE 35 -5.313 -6.156 1.733 256 1HD1 ILE 35 1HD1 ILE 35 -7.323 -9.355 3.633 257 2HD1 ILE 35 2HD1 ILE 35 -5.589 -9.529 3.365 258 3HD1 ILE 35 3HD1 ILE 35 -6.674 -10.872 3.011 259 H ILE 36 H ILE 36 -5.771 -5.350 -0.197 260 HA ILE 36 HA ILE 36 -2.922 -5.142 -0.845 261 HB ILE 36 HB ILE 36 -3.272 -3.442 -2.519 262 1HG1 ILE 36 2HG1 ILE 36 -6.224 -3.852 -1.985 263 2HG1 ILE 36 1HG1 ILE 36 -5.293 -2.394 -1.667 264 1HG2 ILE 36 1HG2 ILE 36 -3.731 -6.093 -2.882 265 2HG2 ILE 36 2HG2 ILE 36 -3.613 -4.908 -4.184 266 3HG2 ILE 36 3HG2 ILE 36 -5.195 -5.392 -3.572 267 1HD1 ILE 36 1HD1 ILE 36 -6.634 -3.214 -4.060 268 2HD1 ILE 36 2HD1 ILE 36 -4.922 -2.939 -4.379 269 3HD1 ILE 36 3HD1 ILE 36 -5.900 -1.661 -3.660 270 H GLU 37 H GLU 37 -1.908 -3.694 0.450 271 HA GLU 37 HA GLU 37 -3.546 -1.603 1.711 272 1HB GLU 37 2HB GLU 37 -1.582 -2.045 3.562 273 2HB GLU 37 1HB GLU 37 -3.224 -2.681 3.652 274 1HG GLU 37 2HG GLU 37 -2.575 -4.781 2.920 275 2HG GLU 37 1HG GLU 37 -1.061 -4.192 2.245 276 H ARG 38 H ARG 38 -2.177 0.188 2.640 277 HA ARG 38 HA ARG 38 0.308 0.615 1.147 278 1HB ARG 38 2HB ARG 38 -1.913 2.660 1.282 279 2HB ARG 38 1HB ARG 38 -0.374 2.839 0.453 280 1HG ARG 38 2HG ARG 38 -1.408 2.134 -1.377 281 2HG ARG 38 1HG ARG 38 -1.447 0.533 -0.634 282 1HD ARG 38 2HD ARG 38 -3.645 0.716 -0.030 283 2HD ARG 38 1HD ARG 38 -3.574 2.472 0.104 284 HE ARG 38 HE ARG 38 -4.124 2.640 -2.120 285 1HH1 ARG 38 1HH1 ARG 38 -3.272 -0.667 -1.395 286 2HH1 ARG 38 2HH1 ARG 38 -3.817 -1.272 -2.922 287 1HH2 ARG 38 1HH2 ARG 38 -4.842 1.845 -4.127 288 2HH2 ARG 38 2HH2 ARG 38 -4.707 0.152 -4.475 289 H GLY 39 H GLY 39 1.251 2.871 1.906 290 1HA GLY 39 2HA GLY 39 0.683 3.899 4.436 291 2HA GLY 39 1HA GLY 39 1.835 2.592 4.660 292 H CYS 40 H CYS 40 3.127 4.436 5.526 293 HA CYS 40 HA CYS 40 4.539 5.820 3.340 294 1HB CYS 40 2HB CYS 40 3.517 6.782 5.939 295 2HB CYS 40 1HB CYS 40 5.146 7.320 5.525 296 H GLY 41 H GLY 41 6.266 4.516 3.011 297 1HA GLY 41 2HA GLY 41 8.572 4.632 4.380 298 2HA GLY 41 1HA GLY 41 7.711 3.361 5.247 299 H CYS 42 H CYS 42 9.350 1.869 4.622 300 HA CYS 42 HA CYS 42 8.758 0.556 2.137 301 1HB CYS 42 2HB CYS 42 10.360 2.316 1.417 302 2HB CYS 42 1HB CYS 42 11.554 1.649 2.534 303 HA PRO 43 HA PRO 43 10.404 -2.096 5.614 304 1HB PRO 43 2HB PRO 43 8.152 -3.389 6.277 305 2HB PRO 43 1HB PRO 43 8.511 -1.773 6.908 306 1HG PRO 43 2HG PRO 43 6.701 -2.575 4.661 307 2HG PRO 43 1HG PRO 43 6.434 -1.373 5.942 308 1HD PRO 43 2HD PRO 43 7.248 -0.756 3.388 309 2HD PRO 43 1HD PRO 43 7.576 0.255 4.812 310 H LYS 44 H LYS 44 9.609 -4.647 5.834 311 HA LYS 44 HA LYS 44 10.022 -5.722 3.129 312 1HB LYS 44 2HB LYS 44 11.456 -6.168 5.435 313 2HB LYS 44 1HB LYS 44 10.395 -7.568 5.374 314 1HG LYS 44 2HG LYS 44 11.180 -7.839 2.960 315 2HG LYS 44 1HG LYS 44 12.456 -6.696 3.381 316 1HD LYS 44 2HD LYS 44 12.051 -8.948 5.249 317 2HD LYS 44 1HD LYS 44 12.695 -9.362 3.659 318 1HE LYS 44 2HE LYS 44 14.643 -8.937 4.778 319 2HE LYS 44 1HE LYS 44 14.292 -7.329 4.144 320 1HZ LYS 44 1HZ LYS 44 14.019 -6.519 6.186 321 2HZ LYS 44 2HZ LYS 44 14.758 -7.933 6.746 322 3HZ LYS 44 3HZ LYS 44 13.071 -7.826 6.694 323 H VAL 45 H VAL 45 9.300 -8.317 3.441 324 HA VAL 45 HA VAL 45 6.621 -8.451 4.549 325 HB VAL 45 HB VAL 45 5.718 -9.326 2.335 326 1HG1 VAL 45 1HG1 VAL 45 5.190 -7.110 3.384 327 2HG1 VAL 45 2HG1 VAL 45 5.017 -7.164 1.629 328 3HG1 VAL 45 3HG1 VAL 45 6.434 -6.402 2.352 329 1HG2 VAL 45 1HG2 VAL 45 8.106 -7.827 1.262 330 2HG2 VAL 45 2HG2 VAL 45 6.796 -8.520 0.306 331 3HG2 VAL 45 3HG2 VAL 45 7.882 -9.576 1.209 332 H LYS 46 H LYS 46 5.668 -10.651 4.270 333 HA LYS 46 HA LYS 46 7.631 -12.621 4.856 334 1HB LYS 46 2HB LYS 46 4.718 -13.221 4.503 335 2HB LYS 46 1HB LYS 46 5.866 -13.945 5.610 336 1HG LYS 46 2HG LYS 46 5.360 -12.516 7.222 337 2HG LYS 46 1HG LYS 46 5.536 -11.128 6.150 338 1HD LYS 46 2HD LYS 46 3.271 -11.249 7.034 339 2HD LYS 46 1HD LYS 46 3.271 -11.518 5.289 340 1HE LYS 46 2HE LYS 46 2.703 -13.724 5.491 341 2HE LYS 46 1HE LYS 46 3.472 -13.889 7.068 342 1HZ LYS 46 1HZ LYS 46 0.817 -12.783 6.419 343 2HZ LYS 46 2HZ LYS 46 1.594 -12.358 7.859 344 3HZ LYS 46 3HZ LYS 46 1.223 -13.978 7.545 345 HA PRO 47 HA PRO 47 7.640 -14.749 0.983 346 1HB PRO 47 2HB PRO 47 7.212 -17.396 1.707 347 2HB PRO 47 1HB PRO 47 8.744 -16.549 1.781 348 1HG PRO 47 2HG PRO 47 7.119 -17.468 3.917 349 2HG PRO 47 1HG PRO 47 8.719 -16.736 3.988 350 1HD PRO 47 2HD PRO 47 6.141 -15.560 4.576 351 2HD PRO 47 1HD PRO 47 7.767 -14.908 4.857 352 H GLY 48 H GLY 48 5.972 -14.196 -0.303 353 1HA GLY 48 2HA GLY 48 4.187 -15.579 -1.503 354 2HA GLY 48 1HA GLY 48 3.394 -15.579 0.072 355 H VAL 49 H VAL 49 3.849 -13.018 0.901 356 HA VAL 49 HA VAL 49 1.925 -11.563 -0.660 357 HB VAL 49 HB VAL 49 1.744 -11.404 1.710 358 1HG1 VAL 49 1HG1 VAL 49 3.672 -11.822 2.779 359 2HG1 VAL 49 2HG1 VAL 49 3.785 -10.063 2.816 360 3HG1 VAL 49 3HG1 VAL 49 4.650 -10.977 1.580 361 1HG2 VAL 49 1HG2 VAL 49 2.946 -8.739 1.141 362 2HG2 VAL 49 2HG2 VAL 49 1.423 -9.143 1.932 363 3HG2 VAL 49 3HG2 VAL 49 1.567 -9.269 0.180 364 H ASN 50 H ASN 50 2.255 -9.714 -1.850 365 HA ASN 50 HA ASN 50 5.031 -9.187 -2.611 366 1HB ASN 50 2HB ASN 50 2.591 -8.069 -3.978 367 2HB ASN 50 1HB ASN 50 4.213 -8.285 -4.636 368 1HD2 ASN 50 1HD2 ASN 50 1.139 -9.653 -4.189 369 2HD2 ASN 50 2HD2 ASN 50 1.467 -11.208 -4.890 370 H LEU 51 H LEU 51 5.762 -7.002 -2.915 371 HA LEU 51 HA LEU 51 4.308 -4.816 -1.756 372 1HB LEU 51 2HB LEU 51 5.044 -5.668 0.312 373 2HB LEU 51 1HB LEU 51 6.618 -6.099 -0.327 374 HG LEU 51 HG LEU 51 6.975 -3.554 -0.598 375 1HD1 LEU 51 1HD1 LEU 51 5.614 -2.084 0.482 376 2HD1 LEU 51 2HD1 LEU 51 5.066 -3.281 1.656 377 3HD1 LEU 51 3HD1 LEU 51 4.422 -3.296 0.014 378 1HD2 LEU 51 1HD2 LEU 51 6.830 -4.217 2.275 379 2HD2 LEU 51 2HD2 LEU 51 8.180 -3.615 1.311 380 3HD2 LEU 51 3HD2 LEU 51 7.749 -5.324 1.254 381 H ASN 52 H ASN 52 5.218 -2.802 -2.303 382 HA ASN 52 HA ASN 52 7.820 -2.706 -3.552 383 1HB ASN 52 2HB ASN 52 7.210 -2.222 -5.738 384 2HB ASN 52 1HB ASN 52 6.045 -3.465 -5.299 385 1HD2 ASN 52 1HD2 ASN 52 4.084 -2.290 -4.037 386 2HD2 ASN 52 2HD2 ASN 52 3.370 -1.023 -4.967 387 H CYS 53 H CYS 53 8.762 -0.885 -2.956 388 HA CYS 53 HA CYS 53 7.191 1.280 -1.850 389 1HB CYS 53 2HB CYS 53 10.183 1.266 -2.139 390 2HB CYS 53 1HB CYS 53 9.191 2.060 -0.921 391 H CYS 54 H CYS 54 7.508 3.493 -2.494 392 HA CYS 54 HA CYS 54 8.816 4.123 -4.970 393 1HB CYS 54 2HB CYS 54 6.579 5.033 -5.933 394 2HB CYS 54 1HB CYS 54 6.960 3.321 -6.121 395 H ARG 55 H ARG 55 8.771 6.298 -5.500 396 HA ARG 55 HA ARG 55 8.131 8.025 -3.225 397 1HB ARG 55 2HB ARG 55 10.231 9.049 -4.893 398 2HB ARG 55 1HB ARG 55 10.253 8.658 -3.183 399 1HG ARG 55 2HG ARG 55 10.599 6.240 -3.927 400 2HG ARG 55 1HG ARG 55 10.989 6.931 -5.509 401 1HD ARG 55 2HD ARG 55 13.078 7.101 -4.729 402 2HD ARG 55 1HD ARG 55 12.479 8.469 -3.792 403 HE ARG 55 HE ARG 55 11.946 6.350 -2.199 404 1HH1 ARG 55 1HH1 ARG 55 14.833 7.450 -3.820 405 2HH1 ARG 55 2HH1 ARG 55 15.903 6.802 -2.622 406 1HH2 ARG 55 1HH2 ARG 55 13.350 5.498 -0.622 407 2HH2 ARG 55 2HH2 ARG 55 15.061 5.693 -0.807 408 H THR 56 H THR 56 6.258 7.600 -5.263 409 HA THR 56 HA THR 56 6.286 10.226 -6.598 410 HB THR 56 HB THR 56 4.707 8.785 -8.256 411 HG1 THR 56 1HG THR 56 5.570 6.764 -8.536 412 1HG2 THR 56 1HG2 THR 56 7.480 9.646 -8.322 413 2HG2 THR 56 2HG2 THR 56 6.231 9.729 -9.566 414 3HG2 THR 56 3HG2 THR 56 7.161 8.247 -9.348 415 H ASP 57 H ASP 57 4.215 11.201 -6.937 416 HA ASP 57 HA ASP 57 2.463 10.936 -4.748 417 1HB ASP 57 2HB ASP 57 0.989 12.471 -6.141 418 2HB ASP 57 1HB ASP 57 2.609 13.069 -5.778 419 H ARG 58 H ARG 58 0.798 9.606 -4.425 420 HA ARG 58 HA ARG 58 -0.801 8.023 -4.763 421 1HB ARG 58 2HB ARG 58 -0.937 9.138 -7.571 422 2HB ARG 58 1HB ARG 58 -2.181 8.198 -6.747 423 1HG ARG 58 2HG ARG 58 -2.597 9.980 -5.207 424 2HG ARG 58 1HG ARG 58 -1.219 10.896 -5.818 425 1HD ARG 58 2HD ARG 58 -2.605 10.532 -8.102 426 2HD ARG 58 1HD ARG 58 -3.929 10.565 -6.937 427 HE ARG 58 HE ARG 58 -2.470 12.729 -6.252 428 1HH1 ARG 58 1HH1 ARG 58 -3.773 11.618 -9.294 429 2HH1 ARG 58 2HH1 ARG 58 -3.970 13.215 -9.935 430 1HH2 ARG 58 1HH2 ARG 58 -2.729 14.829 -7.093 431 2HH2 ARG 58 2HH2 ARG 58 -3.379 15.037 -8.685 432 H CYS 59 H CYS 59 2.027 7.459 -5.366 433 HA CYS 59 HA CYS 59 2.218 5.786 -7.632 434 1HB CYS 59 2HB CYS 59 4.367 5.211 -6.826 435 2HB CYS 59 1HB CYS 59 4.112 6.891 -6.361 436 H ASN 60 H ASN 60 0.846 5.308 -4.524 437 HA ASN 60 HA ASN 60 0.860 2.388 -4.903 438 1HB ASN 60 2HB ASN 60 0.241 2.303 -2.472 439 2HB ASN 60 1HB ASN 60 1.835 2.991 -2.792 440 1HD2 ASN 60 1HD2 ASN 60 1.222 3.674 -0.487 441 2HD2 ASN 60 2HD2 ASN 60 0.494 5.244 -0.345 442 H ASN 61 H ASN 61 -0.916 4.267 -6.273 443 HA ASN 61 HA ASN 61 -3.467 4.339 -5.115 444 1HB ASN 61 2HB ASN 61 -4.163 4.410 -7.659 445 2HB ASN 61 1HB ASN 61 -3.342 5.769 -6.912 446 1HD2 ASN 61 1HD2 ASN 61 -1.839 2.725 -7.820 447 2HD2 ASN 61 2HD2 ASN 61 -0.831 3.387 -9.067 Start of MODEL 12 1 1H LEU 1 1HT LEU 1 4.435 15.269 -0.897 2 2H LEU 1 2HT LEU 1 5.524 14.087 -0.295 3 3H LEU 1 3HT LEU 1 3.988 14.296 0.442 4 HA LEU 1 HA LEU 1 4.329 13.507 -2.364 5 1HB LEU 1 2HB LEU 1 4.973 12.046 -0.022 6 2HB LEU 1 1HB LEU 1 3.500 11.361 -0.685 7 HG LEU 1 HG LEU 1 5.535 10.250 -1.500 8 1HD1 LEU 1 1HD1 LEU 1 3.544 10.164 -2.854 9 2HD1 LEU 1 2HD1 LEU 1 4.976 10.271 -3.878 10 3HD1 LEU 1 3HD1 LEU 1 3.972 11.698 -3.613 11 1HD2 LEU 1 1HD2 LEU 1 7.270 11.293 -2.480 12 2HD2 LEU 1 2HD2 LEU 1 6.652 12.700 -1.613 13 3HD2 LEU 1 3HD2 LEU 1 6.231 12.453 -3.308 14 H GLU 2 H GLU 2 2.341 11.658 -2.348 15 HA GLU 2 HA GLU 2 -0.059 12.668 -1.143 16 1HB GLU 2 2HB GLU 2 0.672 13.466 -3.872 17 2HB GLU 2 1HB GLU 2 -0.934 12.762 -3.745 18 1HG GLU 2 2HG GLU 2 -1.565 14.389 -2.085 19 2HG GLU 2 1HG GLU 2 0.068 15.051 -2.074 20 H CYS 3 H CYS 3 0.840 10.290 -0.693 21 HA CYS 3 HA CYS 3 -0.005 8.326 -2.608 22 1HB CYS 3 2HB CYS 3 0.600 7.697 0.260 23 2HB CYS 3 1HB CYS 3 0.933 6.750 -1.187 24 H HIS 4 H HIS 4 -1.145 6.373 -1.052 25 HA HIS 4 HA HIS 4 -3.716 7.579 -0.264 26 1HB HIS 4 2HB HIS 4 -3.221 4.905 -1.595 27 2HB HIS 4 1HB HIS 4 -4.794 5.494 -1.052 28 HD1 HIS 4 1HD HIS 4 -5.806 7.527 -2.394 29 HD2 HIS 4 2HD HIS 4 -2.386 5.844 -4.051 30 HE1 HIS 4 1HE HIS 4 -5.709 8.390 -4.753 31 HE2 HIS 4 2HE HIS 4 -3.697 7.265 -5.770 32 H ASN 5 H ASN 5 -5.006 5.621 0.933 33 HA ASN 5 HA ASN 5 -3.417 4.040 2.701 34 1HB ASN 5 2HB ASN 5 -4.266 5.213 4.794 35 2HB ASN 5 1HB ASN 5 -2.997 6.049 3.895 36 1HD2 ASN 5 1HD2 ASN 5 -3.621 7.802 2.516 37 2HD2 ASN 5 2HD2 ASN 5 -5.037 8.733 2.889 38 H GLN 6 H GLN 6 -5.456 3.439 0.933 39 HA GLN 6 HA GLN 6 -7.753 2.860 2.680 40 1HB GLN 6 2HB GLN 6 -8.879 2.356 0.409 41 2HB GLN 6 1HB GLN 6 -8.600 4.034 0.851 42 1HG GLN 6 2HG GLN 6 -6.936 4.314 -0.706 43 2HG GLN 6 1HG GLN 6 -6.549 2.595 -0.759 44 1HE2 GLN 6 1HE2 GLN 6 -6.763 3.872 -3.091 45 2HE2 GLN 6 2HE2 GLN 6 -8.230 3.433 -3.911 46 H GLN 7 H GLN 7 -7.779 0.864 3.472 47 HA GLN 7 HA GLN 7 -6.230 -1.247 2.288 48 1HB GLN 7 2HB GLN 7 -7.255 -2.587 4.178 49 2HB GLN 7 1HB GLN 7 -6.257 -1.223 4.652 50 1HG GLN 7 2HG GLN 7 -7.932 -0.303 5.767 51 2HG GLN 7 1HG GLN 7 -9.002 -0.419 4.370 52 1HE2 GLN 7 1HE2 GLN 7 -7.548 -2.498 6.853 53 2HE2 GLN 7 2HE2 GLN 7 -8.971 -3.455 7.128 54 H SER 8 H SER 8 -7.367 -3.484 2.176 55 HA SER 8 HA SER 8 -8.816 -4.858 1.091 56 1HB SER 8 2HB SER 8 -10.544 -2.799 2.300 57 2HB SER 8 1HB SER 8 -11.266 -3.654 0.931 58 HG SER 8 HG SER 8 -11.703 -5.059 2.456 59 H SER 9 H SER 9 -10.391 -1.854 0.059 60 HA SER 9 HA SER 9 -9.089 -1.525 -2.386 61 1HB SER 9 2HB SER 9 -11.255 -3.556 -2.375 62 2HB SER 9 1HB SER 9 -11.253 -2.412 -3.717 63 HG SER 9 HG SER 9 -9.340 -4.336 -3.008 64 H GLN 10 H GLN 10 -12.578 -1.686 -1.683 65 HA GLN 10 HA GLN 10 -13.142 0.831 -2.798 66 1HB GLN 10 2HB GLN 10 -14.607 -1.147 -1.150 67 2HB GLN 10 1HB GLN 10 -15.241 0.498 -1.153 68 1HG GLN 10 2HG GLN 10 -14.574 -0.516 -3.805 69 2HG GLN 10 1HG GLN 10 -15.824 -1.447 -2.977 70 1HE2 GLN 10 1HE2 GLN 10 -17.286 -0.708 -4.593 71 2HE2 GLN 10 2HE2 GLN 10 -17.979 0.881 -4.492 72 H ALA 11 H ALA 11 -14.568 2.363 -1.194 73 HA ALA 11 HA ALA 11 -14.420 4.067 0.304 74 1HB ALA 11 1HB ALA 11 -12.827 2.448 2.210 75 2HB ALA 11 2HB ALA 11 -14.419 1.840 1.755 76 3HB ALA 11 3HB ALA 11 -14.261 3.438 2.483 77 HA PRO 12 HA PRO 12 -9.996 4.780 -1.267 78 1HB PRO 12 2HB PRO 12 -11.512 7.254 -1.992 79 2HB PRO 12 1HB PRO 12 -10.221 6.425 -2.876 80 1HG PRO 12 2HG PRO 12 -12.696 6.088 -3.678 81 2HG PRO 12 1HG PRO 12 -11.625 4.672 -3.529 82 1HD PRO 12 2HD PRO 12 -13.788 5.606 -1.667 83 2HD PRO 12 1HD PRO 12 -13.413 3.955 -2.218 84 H THR 13 H THR 13 -8.492 6.317 -0.466 85 HA THR 13 HA THR 13 -9.298 8.348 1.396 86 HB THR 13 HB THR 13 -7.877 7.325 3.263 87 HG1 THR 13 1HG THR 13 -7.108 5.617 1.763 88 1HG2 THR 13 1HG2 THR 13 -9.688 6.461 4.304 89 2HG2 THR 13 2HG2 THR 13 -10.211 5.550 2.887 90 3HG2 THR 13 3HG2 THR 13 -10.506 7.285 2.978 91 H THR 14 H THR 14 -8.005 9.965 0.845 92 HA THR 14 HA THR 14 -5.202 9.358 0.165 93 HB THR 14 HB THR 14 -5.196 11.314 -1.255 94 HG1 THR 14 1HG THR 14 -7.906 11.702 -0.522 95 1HG2 THR 14 1HG2 THR 14 -5.976 9.956 -2.822 96 2HG2 THR 14 2HG2 THR 14 -7.563 10.660 -2.509 97 3HG2 THR 14 3HG2 THR 14 -7.083 9.169 -1.697 98 H LYS 15 H LYS 15 -3.572 10.515 1.108 99 HA LYS 15 HA LYS 15 -4.085 12.835 2.723 100 1HB LYS 15 2HB LYS 15 -4.586 10.559 4.047 101 2HB LYS 15 1HB LYS 15 -2.848 10.643 4.301 102 1HG LYS 15 2HG LYS 15 -3.246 11.986 6.014 103 2HG LYS 15 1HG LYS 15 -3.766 13.210 4.855 104 1HD LYS 15 2HD LYS 15 -5.850 11.260 5.378 105 2HD LYS 15 1HD LYS 15 -5.308 12.057 6.856 106 1HE LYS 15 2HE LYS 15 -5.793 14.210 5.969 107 2HE LYS 15 1HE LYS 15 -6.059 13.553 4.355 108 1HZ LYS 15 1HZ LYS 15 -7.742 12.459 6.451 109 2HZ LYS 15 2HZ LYS 15 -8.135 12.907 4.867 110 3HZ LYS 15 3HZ LYS 15 -8.018 14.086 6.075 111 H THR 16 H THR 16 -1.952 13.328 4.040 112 HA THR 16 HA THR 16 0.319 12.743 2.253 113 HB THR 16 HB THR 16 -0.423 15.078 2.075 114 HG1 THR 16 1HG THR 16 1.578 15.700 1.984 115 1HG2 THR 16 1HG2 THR 16 0.388 15.470 4.935 116 2HG2 THR 16 2HG2 THR 16 -1.290 15.239 4.439 117 3HG2 THR 16 3HG2 THR 16 -0.376 16.623 3.839 118 H CYS 17 H CYS 17 2.478 13.189 3.403 119 HA CYS 17 HA CYS 17 2.342 12.145 6.156 120 1HB CYS 17 2HB CYS 17 4.547 11.554 4.175 121 2HB CYS 17 1HB CYS 17 4.299 10.815 5.759 122 H SER 18 H SER 18 4.095 12.751 7.564 123 HA SER 18 HA SER 18 5.387 15.276 6.762 124 1HB SER 18 2HB SER 18 5.339 15.401 9.493 125 2HB SER 18 1HB SER 18 4.135 16.141 8.439 126 HG SER 18 HG SER 18 2.749 14.532 8.858 127 H GLY 19 H GLY 19 7.410 14.629 6.237 128 1HA GLY 19 2HA GLY 19 9.638 14.339 7.024 129 2HA GLY 19 1HA GLY 19 9.002 13.445 8.403 130 H GLU 20 H GLU 20 8.051 12.888 5.068 131 HA GLU 20 HA GLU 20 9.407 10.273 5.192 132 1HB GLU 20 2HB GLU 20 6.653 11.025 4.477 133 2HB GLU 20 1HB GLU 20 7.423 9.915 3.342 134 1HG GLU 20 2HG GLU 20 6.583 8.373 4.746 135 2HG GLU 20 1HG GLU 20 8.070 8.703 5.633 136 H THR 21 H THR 21 9.246 9.385 2.689 137 HA THR 21 HA THR 21 10.115 11.468 0.853 138 HB THR 21 HB THR 21 12.119 9.884 0.278 139 HG1 THR 21 1HG THR 21 12.769 8.583 1.849 140 1HG2 THR 21 1HG2 THR 21 12.308 11.497 2.804 141 2HG2 THR 21 2HG2 THR 21 12.327 12.193 1.184 142 3HG2 THR 21 3HG2 THR 21 13.607 11.088 1.684 143 H ASN 22 H ASN 22 9.692 7.988 1.345 144 HA ASN 22 HA ASN 22 8.417 7.854 -1.299 145 1HB ASN 22 2HB ASN 22 9.493 5.325 -0.949 146 2HB ASN 22 1HB ASN 22 10.128 6.583 -2.011 147 1HD2 ASN 22 1HD2 ASN 22 10.295 5.339 1.282 148 2HD2 ASN 22 2HD2 ASN 22 11.956 5.767 1.552 149 H CYS 23 H CYS 23 6.843 6.183 -1.553 150 HA CYS 23 HA CYS 23 5.653 5.333 0.999 151 1HB CYS 23 2HB CYS 23 4.516 6.333 -1.557 152 2HB CYS 23 1HB CYS 23 3.610 5.071 -0.724 153 H TYR 24 H TYR 24 3.912 3.417 0.169 154 HA TYR 24 HA TYR 24 5.300 1.528 -1.526 155 1HB TYR 24 2HB TYR 24 5.338 -0.252 0.193 156 2HB TYR 24 1HB TYR 24 6.404 1.098 0.585 157 HD1 TYR 24 1HD TYR 24 3.353 -0.700 1.506 158 HD2 TYR 24 2HD TYR 24 5.888 2.583 2.450 159 HE1 TYR 24 1HE TYR 24 2.251 -0.485 3.694 160 HE2 TYR 24 2HE TYR 24 4.794 2.807 4.641 161 HH TYR 24 HH TYR 24 3.451 1.032 6.217 162 H LYS 25 H LYS 25 4.100 -0.626 -1.484 163 HA LYS 25 HA LYS 25 1.258 -0.428 -0.955 164 1HB LYS 25 2HB LYS 25 1.976 0.434 -3.388 165 2HB LYS 25 1HB LYS 25 1.923 -1.293 -3.725 166 1HG LYS 25 2HG LYS 25 -0.398 -0.216 -2.277 167 2HG LYS 25 1HG LYS 25 -0.192 0.357 -3.932 168 1HD LYS 25 2HD LYS 25 0.277 -2.432 -3.944 169 2HD LYS 25 1HD LYS 25 -1.195 -2.154 -3.015 170 1HE LYS 25 2HE LYS 25 -2.358 -1.478 -4.821 171 2HE LYS 25 1HE LYS 25 -0.986 -0.607 -5.503 172 1HZ LYS 25 1HZ LYS 25 -0.790 -3.507 -5.511 173 2HZ LYS 25 2HZ LYS 25 -0.335 -2.387 -6.695 174 3HZ LYS 25 3HZ LYS 25 -1.956 -2.845 -6.543 175 H LYS 26 H LYS 26 0.707 -2.290 -0.057 176 HA LYS 26 HA LYS 26 2.195 -4.711 -0.834 177 1HB LYS 26 2HB LYS 26 1.208 -5.301 1.646 178 2HB LYS 26 1HB LYS 26 2.829 -4.720 1.320 179 1HG LYS 26 2HG LYS 26 2.266 -2.506 1.913 180 2HG LYS 26 1HG LYS 26 0.541 -2.869 1.905 181 1HD LYS 26 2HD LYS 26 0.697 -3.246 4.095 182 2HD LYS 26 1HD LYS 26 1.654 -4.680 3.716 183 1HE LYS 26 2HE LYS 26 3.414 -2.502 3.530 184 2HE LYS 26 1HE LYS 26 2.454 -2.224 4.982 185 1HZ LYS 26 1HZ LYS 26 4.349 -4.369 4.388 186 2HZ LYS 26 2HZ LYS 26 3.015 -4.753 5.355 187 3HZ LYS 26 3HZ LYS 26 4.083 -3.532 5.834 188 H TRP 27 H TRP 27 1.073 -6.696 -0.853 189 HA TRP 27 HA TRP 27 -1.759 -6.760 -0.421 190 1HB TRP 27 2HB TRP 27 -2.325 -7.503 -2.731 191 2HB TRP 27 1HB TRP 27 -1.860 -5.827 -2.625 192 HD1 TRP 27 HD TRP 27 -0.998 -9.002 -4.251 193 HE1 TRP 27 1HE TRP 27 0.944 -8.660 -5.887 194 HE3 TRP 27 3HE TRP 27 0.381 -4.291 -2.884 195 HZ2 TRP 27 2HZ TRP 27 2.828 -6.656 -6.527 196 HZ3 TRP 27 3HZ TRP 27 2.260 -3.225 -4.062 197 HH2 TRP 27 HH TRP 27 3.458 -4.383 -5.844 198 H TRP 28 H TRP 28 -2.688 -8.892 -0.881 199 HA TRP 28 HA TRP 28 -0.882 -11.116 -1.246 200 1HB TRP 28 2HB TRP 28 -1.378 -12.103 0.995 201 2HB TRP 28 1HB TRP 28 -0.435 -10.617 1.092 202 HD1 TRP 28 HD TRP 28 -3.847 -12.027 1.903 203 HE1 TRP 28 1HE TRP 28 -5.077 -10.351 3.376 204 HE3 TRP 28 3HE TRP 28 -0.579 -8.103 1.633 205 HZ2 TRP 28 2HZ TRP 28 -4.752 -7.722 4.338 206 HZ3 TRP 28 3HZ TRP 28 -1.116 -6.042 2.865 207 HH2 TRP 28 HH TRP 28 -3.162 -5.857 4.189 208 H SER 29 H SER 29 -2.235 -13.201 -0.419 209 HA SER 29 HA SER 29 -5.003 -12.903 -1.374 210 1HB SER 29 2HB SER 29 -3.150 -15.212 -2.026 211 2HB SER 29 1HB SER 29 -4.822 -15.024 -2.569 212 HG SER 29 HG SER 29 -3.029 -14.358 -4.045 213 H ASP 30 H ASP 30 -6.518 -13.847 -0.101 214 HA ASP 30 HA ASP 30 -5.523 -15.559 2.092 215 1HB ASP 30 2HB ASP 30 -6.718 -13.153 2.391 216 2HB ASP 30 1HB ASP 30 -8.135 -14.204 2.417 217 H HIS 31 H HIS 31 -8.128 -15.045 -0.210 218 HA HIS 31 HA HIS 31 -8.613 -17.744 -0.686 219 1HB HIS 31 2HB HIS 31 -10.843 -17.986 0.422 220 2HB HIS 31 1HB HIS 31 -9.500 -17.908 1.557 221 HD1 HIS 31 1HD HIS 31 -12.556 -16.086 0.473 222 HD2 HIS 31 2HD HIS 31 -9.405 -15.563 3.132 223 HE1 HIS 31 1HE HIS 31 -13.249 -14.191 1.972 224 HE2 HIS 31 2HE HIS 31 -11.288 -13.833 3.515 225 H ARG 32 H ARG 32 -8.979 -17.317 -2.785 226 HA ARG 32 HA ARG 32 -9.717 -16.325 -4.669 227 1HB ARG 32 2HB ARG 32 -12.413 -16.357 -3.411 228 2HB ARG 32 1HB ARG 32 -11.915 -16.829 -5.025 229 1HG ARG 32 2HG ARG 32 -12.038 -18.927 -4.354 230 2HG ARG 32 1HG ARG 32 -10.601 -18.612 -3.382 231 1HD ARG 32 2HD ARG 32 -11.854 -18.220 -1.449 232 2HD ARG 32 1HD ARG 32 -13.346 -17.978 -2.356 233 HE ARG 32 HE ARG 32 -12.155 -20.503 -1.580 234 1HH1 ARG 32 1HH1 ARG 32 -14.527 -18.880 -3.562 235 2HH1 ARG 32 2HH1 ARG 32 -15.498 -20.296 -3.776 236 1HH2 ARG 32 1HH2 ARG 32 -13.434 -22.365 -1.864 237 2HH2 ARG 32 2HH2 ARG 32 -14.879 -22.274 -2.813 238 H GLY 33 H GLY 33 -8.841 -14.469 -2.664 239 1HA GLY 33 2HA GLY 33 -9.980 -12.067 -3.755 240 2HA GLY 33 1HA GLY 33 -10.402 -12.319 -2.060 241 H THR 34 H THR 34 -8.500 -10.489 -3.750 242 HA THR 34 HA THR 34 -6.109 -10.886 -2.083 243 HB THR 34 HB THR 34 -6.406 -9.405 -4.704 244 HG1 THR 34 1HG THR 34 -6.450 -11.669 -4.923 245 1HG2 THR 34 1HG2 THR 34 -4.436 -9.042 -2.771 246 2HG2 THR 34 2HG2 THR 34 -4.390 -8.536 -4.460 247 3HG2 THR 34 3HG2 THR 34 -3.713 -10.095 -3.987 248 H ILE 35 H ILE 35 -5.416 -9.328 -0.739 249 HA ILE 35 HA ILE 35 -7.039 -6.873 -0.575 250 HB ILE 35 HB ILE 35 -5.340 -8.085 1.606 251 1HG1 ILE 35 2HG1 ILE 35 -7.884 -8.403 2.469 252 2HG1 ILE 35 1HG1 ILE 35 -8.118 -8.621 0.738 253 1HG2 ILE 35 1HG2 ILE 35 -7.153 -6.555 2.864 254 2HG2 ILE 35 2HG2 ILE 35 -6.993 -5.656 1.355 255 3HG2 ILE 35 3HG2 ILE 35 -5.571 -5.967 2.351 256 1HD1 ILE 35 1HD1 ILE 35 -5.907 -10.171 1.300 257 2HD1 ILE 35 2HD1 ILE 35 -7.560 -10.740 1.071 258 3HD1 ILE 35 3HD1 ILE 35 -6.959 -10.405 2.695 259 H ILE 36 H ILE 36 -5.967 -4.865 -0.170 260 HA ILE 36 HA ILE 36 -3.062 -4.868 -0.533 261 HB ILE 36 HB ILE 36 -3.109 -3.193 -2.256 262 1HG1 ILE 36 2HG1 ILE 36 -6.125 -3.336 -2.022 263 2HG1 ILE 36 1HG1 ILE 36 -5.108 -1.963 -1.596 264 1HG2 ILE 36 1HG2 ILE 36 -3.382 -4.682 -3.901 265 2HG2 ILE 36 2HG2 ILE 36 -5.080 -4.948 -3.506 266 3HG2 ILE 36 3HG2 ILE 36 -3.822 -5.809 -2.619 267 1HD1 ILE 36 1HD1 ILE 36 -5.326 -3.081 -4.376 268 2HD1 ILE 36 2HD1 ILE 36 -4.549 -1.579 -3.877 269 3HD1 ILE 36 3HD1 ILE 36 -6.301 -1.745 -3.765 270 H GLU 37 H GLU 37 -2.039 -3.438 0.767 271 HA GLU 37 HA GLU 37 -3.643 -1.261 1.935 272 1HB GLU 37 2HB GLU 37 -1.687 -1.665 3.799 273 2HB GLU 37 1HB GLU 37 -3.324 -2.308 3.903 274 1HG GLU 37 2HG GLU 37 -2.590 -4.411 2.972 275 2HG GLU 37 1HG GLU 37 -0.964 -3.772 2.741 276 H ARG 38 H ARG 38 -2.292 0.578 2.732 277 HA ARG 38 HA ARG 38 0.272 0.868 1.367 278 1HB ARG 38 2HB ARG 38 -0.651 3.262 0.706 279 2HB ARG 38 1HB ARG 38 -0.879 1.868 -0.341 280 1HG ARG 38 2HG ARG 38 -2.979 2.414 1.675 281 2HG ARG 38 1HG ARG 38 -2.858 3.510 0.298 282 1HD ARG 38 2HD ARG 38 -2.699 0.691 -0.440 283 2HD ARG 38 1HD ARG 38 -4.220 1.124 0.340 284 HE ARG 38 HE ARG 38 -3.429 2.933 -1.752 285 1HH1 ARG 38 1HH1 ARG 38 -5.107 -0.039 -1.018 286 2HH1 ARG 38 2HH1 ARG 38 -6.098 0.025 -2.437 287 1HH2 ARG 38 1HH2 ARG 38 -4.733 3.017 -3.618 288 2HH2 ARG 38 2HH2 ARG 38 -5.887 1.760 -3.912 289 H GLY 39 H GLY 39 1.346 2.976 1.978 290 1HA GLY 39 2HA GLY 39 0.459 4.330 4.339 291 2HA GLY 39 1HA GLY 39 1.729 3.168 4.691 292 H CYS 40 H CYS 40 3.495 4.356 5.072 293 HA CYS 40 HA CYS 40 4.550 5.971 2.898 294 1HB CYS 40 2HB CYS 40 3.224 7.203 5.042 295 2HB CYS 40 1HB CYS 40 4.943 7.418 5.377 296 H GLY 41 H GLY 41 6.217 4.511 2.680 297 1HA GLY 41 2HA GLY 41 8.585 4.885 3.975 298 2HA GLY 41 1HA GLY 41 7.780 3.646 4.937 299 H CYS 42 H CYS 42 9.415 2.140 4.401 300 HA CYS 42 HA CYS 42 8.858 0.679 1.992 301 1HB CYS 42 2HB CYS 42 10.457 2.446 1.218 302 2HB CYS 42 1HB CYS 42 11.652 1.786 2.338 303 HA PRO 43 HA PRO 43 10.590 -1.710 5.631 304 1HB PRO 43 2HB PRO 43 8.352 -2.877 6.530 305 2HB PRO 43 1HB PRO 43 8.789 -1.227 7.006 306 1HG PRO 43 2HG PRO 43 6.824 -2.150 4.943 307 2HG PRO 43 1HG PRO 43 6.668 -0.843 6.135 308 1HD PRO 43 2HD PRO 43 7.339 -0.457 3.495 309 2HD PRO 43 1HD PRO 43 7.779 0.655 4.810 310 H LYS 44 H LYS 44 10.576 -4.091 5.917 311 HA LYS 44 HA LYS 44 10.304 -5.401 3.324 312 1HB LYS 44 2HB LYS 44 12.061 -5.675 5.610 313 2HB LYS 44 1HB LYS 44 11.375 -7.229 5.157 314 1HG LYS 44 2HG LYS 44 12.103 -6.667 2.780 315 2HG LYS 44 1HG LYS 44 13.070 -5.385 3.511 316 1HD LYS 44 2HD LYS 44 13.254 -8.218 4.481 317 2HD LYS 44 1HD LYS 44 14.183 -7.668 3.085 318 1HE LYS 44 2HE LYS 44 14.932 -5.746 4.647 319 2HE LYS 44 1HE LYS 44 14.370 -6.798 5.945 320 1HZ LYS 44 1HZ LYS 44 15.854 -8.515 4.612 321 2HZ LYS 44 2HZ LYS 44 16.499 -7.507 5.807 322 3HZ LYS 44 3HZ LYS 44 16.668 -7.097 4.175 323 H VAL 45 H VAL 45 9.868 -7.965 3.805 324 HA VAL 45 HA VAL 45 7.700 -8.382 5.661 325 HB VAL 45 HB VAL 45 6.146 -9.182 3.816 326 1HG1 VAL 45 1HG1 VAL 45 6.472 -6.243 3.534 327 2HG1 VAL 45 2HG1 VAL 45 6.193 -6.895 5.149 328 3HG1 VAL 45 3HG1 VAL 45 5.025 -7.196 3.862 329 1HG2 VAL 45 1HG2 VAL 45 7.701 -9.240 1.976 330 2HG2 VAL 45 2HG2 VAL 45 8.029 -7.517 2.151 331 3HG2 VAL 45 3HG2 VAL 45 6.437 -8.061 1.624 332 H LYS 46 H LYS 46 6.794 -10.643 5.404 333 HA LYS 46 HA LYS 46 8.969 -12.463 5.200 334 1HB LYS 46 2HB LYS 46 7.485 -14.086 6.145 335 2HB LYS 46 1HB LYS 46 7.214 -12.564 6.977 336 1HG LYS 46 2HG LYS 46 5.470 -12.750 4.720 337 2HG LYS 46 1HG LYS 46 5.319 -14.199 5.717 338 1HD LYS 46 2HD LYS 46 5.145 -11.368 6.749 339 2HD LYS 46 1HD LYS 46 3.755 -12.388 6.374 340 1HE LYS 46 2HE LYS 46 5.896 -13.176 8.338 341 2HE LYS 46 1HE LYS 46 4.438 -12.299 8.803 342 1HZ LYS 46 1HZ LYS 46 4.004 -14.694 7.226 343 2HZ LYS 46 2HZ LYS 46 3.169 -14.122 8.583 344 3HZ LYS 46 3HZ LYS 46 4.628 -14.956 8.778 345 HA PRO 47 HA PRO 47 8.068 -14.168 1.238 346 1HB PRO 47 2HB PRO 47 8.271 -16.902 1.727 347 2HB PRO 47 1HB PRO 47 9.603 -15.811 1.402 348 1HG PRO 47 2HG PRO 47 8.952 -17.140 3.819 349 2HG PRO 47 1HG PRO 47 10.355 -16.139 3.459 350 1HD PRO 47 2HD PRO 47 7.993 -15.487 4.994 351 2HD PRO 47 1HD PRO 47 9.499 -14.569 4.802 352 H GLY 48 H GLY 48 5.765 -13.413 1.690 353 1HA GLY 48 2HA GLY 48 3.974 -15.438 0.786 354 2HA GLY 48 1HA GLY 48 3.677 -15.040 2.477 355 H VAL 49 H VAL 49 4.292 -12.300 2.357 356 HA VAL 49 HA VAL 49 1.954 -11.326 0.872 357 HB VAL 49 HB VAL 49 3.453 -9.920 3.086 358 1HG1 VAL 49 1HG1 VAL 49 0.651 -9.258 2.641 359 2HG1 VAL 49 2HG1 VAL 49 1.675 -8.909 1.249 360 3HG1 VAL 49 3HG1 VAL 49 2.052 -8.202 2.820 361 1HG2 VAL 49 1HG2 VAL 49 2.239 -10.972 4.655 362 2HG2 VAL 49 2HG2 VAL 49 2.015 -12.210 3.418 363 3HG2 VAL 49 3HG2 VAL 49 0.780 -10.976 3.665 364 H ASN 50 H ASN 50 2.203 -10.012 -0.829 365 HA ASN 50 HA ASN 50 4.867 -9.271 -1.656 366 1HB ASN 50 2HB ASN 50 2.419 -8.319 -3.090 367 2HB ASN 50 1HB ASN 50 3.975 -8.825 -3.747 368 1HD2 ASN 50 1HD2 ASN 50 0.818 -9.777 -2.857 369 2HD2 ASN 50 2HD2 ASN 50 0.948 -11.448 -3.309 370 H LEU 51 H LEU 51 5.595 -7.167 -2.078 371 HA LEU 51 HA LEU 51 4.057 -4.873 -1.310 372 1HB LEU 51 2HB LEU 51 4.698 -5.563 0.889 373 2HB LEU 51 1HB LEU 51 6.355 -5.835 0.385 374 HG LEU 51 HG LEU 51 6.370 -3.288 -0.122 375 1HD1 LEU 51 1HD1 LEU 51 3.890 -3.110 0.206 376 2HD1 LEU 51 2HD1 LEU 51 4.857 -1.952 1.123 377 3HD1 LEU 51 3HD1 LEU 51 4.172 -3.365 1.929 378 1HD2 LEU 51 1HD2 LEU 51 6.215 -3.777 2.792 379 2HD2 LEU 51 2HD2 LEU 51 7.481 -3.010 1.833 380 3HD2 LEU 51 3HD2 LEU 51 7.341 -4.769 1.865 381 H ASN 52 H ASN 52 4.988 -2.931 -2.050 382 HA ASN 52 HA ASN 52 7.666 -3.004 -3.162 383 1HB ASN 52 2HB ASN 52 7.163 -2.773 -5.400 384 2HB ASN 52 1HB ASN 52 5.883 -3.865 -4.884 385 1HD2 ASN 52 1HD2 ASN 52 4.020 -2.337 -3.796 386 2HD2 ASN 52 2HD2 ASN 52 3.433 -1.157 -4.912 387 H CYS 53 H CYS 53 8.663 -1.125 -2.885 388 HA CYS 53 HA CYS 53 7.167 1.163 -1.927 389 1HB CYS 53 2HB CYS 53 10.141 1.068 -2.361 390 2HB CYS 53 1HB CYS 53 9.223 2.004 -1.188 391 H CYS 54 H CYS 54 7.487 3.297 -2.805 392 HA CYS 54 HA CYS 54 8.671 3.649 -5.394 393 1HB CYS 54 2HB CYS 54 6.321 4.534 -6.245 394 2HB CYS 54 1HB CYS 54 6.799 2.849 -6.455 395 H ARG 55 H ARG 55 8.762 5.739 -6.082 396 HA ARG 55 HA ARG 55 8.266 7.687 -3.954 397 1HB ARG 55 2HB ARG 55 10.245 8.499 -5.879 398 2HB ARG 55 1HB ARG 55 10.389 8.288 -4.143 399 1HG ARG 55 2HG ARG 55 10.625 5.795 -4.666 400 2HG ARG 55 1HG ARG 55 10.931 6.320 -6.325 401 1HD ARG 55 2HD ARG 55 12.518 6.893 -3.840 402 2HD ARG 55 1HD ARG 55 13.052 6.125 -5.335 403 HE ARG 55 HE ARG 55 12.222 8.694 -5.973 404 1HH1 ARG 55 1HH1 ARG 55 14.713 7.170 -4.065 405 2HH1 ARG 55 2HH1 ARG 55 15.842 8.467 -4.272 406 1HH2 ARG 55 1HH2 ARG 55 13.706 10.405 -6.247 407 2HH2 ARG 55 2HH2 ARG 55 15.270 10.304 -5.509 408 H THR 56 H THR 56 6.154 7.269 -5.643 409 HA THR 56 HA THR 56 6.132 9.783 -7.152 410 HB THR 56 HB THR 56 6.318 8.404 -8.985 411 HG1 THR 56 1HG THR 56 4.370 8.414 -9.933 412 1HG2 THR 56 1HG2 THR 56 5.689 6.299 -7.263 413 2HG2 THR 56 2HG2 THR 56 6.178 6.201 -8.953 414 3HG2 THR 56 3HG2 THR 56 4.467 6.264 -8.533 415 H ASP 57 H ASP 57 3.946 10.594 -7.579 416 HA ASP 57 HA ASP 57 2.346 10.446 -5.231 417 1HB ASP 57 2HB ASP 57 2.144 11.875 -7.857 418 2HB ASP 57 1HB ASP 57 0.738 11.817 -6.793 419 H ARG 58 H ARG 58 0.642 9.190 -4.779 420 HA ARG 58 HA ARG 58 -0.940 7.561 -4.966 421 1HB ARG 58 2HB ARG 58 -1.131 8.690 -7.767 422 2HB ARG 58 1HB ARG 58 -2.268 7.526 -7.087 423 1HG ARG 58 2HG ARG 58 -2.778 9.179 -5.294 424 2HG ARG 58 1HG ARG 58 -1.768 10.343 -6.152 425 1HD ARG 58 2HD ARG 58 -3.254 10.561 -7.886 426 2HD ARG 58 1HD ARG 58 -3.926 8.949 -7.654 427 HE ARG 58 HE ARG 58 -4.707 10.252 -5.424 428 1HH1 ARG 58 1HH1 ARG 58 -4.956 11.011 -8.822 429 2HH1 ARG 58 2HH1 ARG 58 -6.421 11.915 -8.641 430 1HH2 ARG 58 1HH2 ARG 58 -6.635 11.441 -5.185 431 2HH2 ARG 58 2HH2 ARG 58 -7.375 12.159 -6.577 432 H CYS 59 H CYS 59 1.848 6.956 -5.543 433 HA CYS 59 HA CYS 59 2.069 5.193 -7.731 434 1HB CYS 59 2HB CYS 59 4.215 4.727 -6.945 435 2HB CYS 59 1HB CYS 59 3.912 6.366 -6.376 436 H ASN 60 H ASN 60 0.939 4.783 -4.460 437 HA ASN 60 HA ASN 60 0.829 1.870 -4.802 438 1HB ASN 60 2HB ASN 60 0.187 1.895 -2.361 439 2HB ASN 60 1HB ASN 60 1.805 2.508 -2.716 440 1HD2 ASN 60 1HD2 ASN 60 1.378 3.379 -0.494 441 2HD2 ASN 60 2HD2 ASN 60 0.652 4.953 -0.394 442 H ASN 61 H ASN 61 -0.890 2.888 -6.491 443 HA ASN 61 HA ASN 61 -3.513 2.723 -5.163 444 1HB ASN 61 2HB ASN 61 -3.701 4.811 -6.060 445 2HB ASN 61 1HB ASN 61 -2.471 4.512 -7.280 446 1HD2 ASN 61 1HD2 ASN 61 -3.099 3.190 -9.116 447 2HD2 ASN 61 2HD2 ASN 61 -4.729 3.291 -9.701 Start of MODEL 13 1 1H LEU 1 1HT LEU 1 3.995 15.942 -1.315 2 2H LEU 1 2HT LEU 1 5.565 15.332 -1.650 3 3H LEU 1 3HT LEU 1 4.746 14.861 -0.216 4 HA LEU 1 HA LEU 1 3.837 14.280 -2.954 5 1HB LEU 1 2HB LEU 1 6.042 13.250 -1.916 6 2HB LEU 1 1HB LEU 1 4.899 12.246 -1.045 7 HG LEU 1 HG LEU 1 4.631 12.455 -4.008 8 1HD1 LEU 1 1HD1 LEU 1 6.421 11.180 -4.527 9 2HD1 LEU 1 2HD1 LEU 1 6.389 10.314 -2.991 10 3HD1 LEU 1 3HD1 LEU 1 7.089 11.931 -3.077 11 1HD2 LEU 1 1HD2 LEU 1 4.427 9.910 -2.528 12 2HD2 LEU 1 2HD2 LEU 1 3.403 10.570 -3.804 13 3HD2 LEU 1 3HD2 LEU 1 3.219 11.136 -2.144 14 H GLU 2 H GLU 2 1.945 13.113 -3.066 15 HA GLU 2 HA GLU 2 0.547 12.616 -0.523 16 1HB GLU 2 2HB GLU 2 -0.159 14.639 -2.128 17 2HB GLU 2 1HB GLU 2 -1.061 13.349 -2.911 18 1HG GLU 2 2HG GLU 2 -2.617 13.381 -1.338 19 2HG GLU 2 1HG GLU 2 -1.414 13.251 -0.057 20 H CYS 3 H CYS 3 0.921 10.418 -0.520 21 HA CYS 3 HA CYS 3 0.402 8.801 -2.834 22 1HB CYS 3 2HB CYS 3 0.725 7.743 -0.039 23 2HB CYS 3 1HB CYS 3 1.194 7.003 -1.567 24 H HIS 4 H HIS 4 -0.848 6.586 -1.855 25 HA HIS 4 HA HIS 4 -3.555 7.592 -1.288 26 1HB HIS 4 2HB HIS 4 -2.606 5.157 -2.797 27 2HB HIS 4 1HB HIS 4 -4.284 5.368 -2.287 28 HD1 HIS 4 1HD HIS 4 -5.389 7.716 -3.233 29 HD2 HIS 4 2HD HIS 4 -2.086 6.188 -5.240 30 HE1 HIS 4 1HE HIS 4 -5.413 8.811 -5.496 31 HE2 HIS 4 2HE HIS 4 -3.461 7.799 -6.726 32 H ASN 5 H ASN 5 -4.914 6.359 0.116 33 HA ASN 5 HA ASN 5 -3.561 4.407 1.830 34 1HB ASN 5 2HB ASN 5 -4.405 5.500 3.861 35 2HB ASN 5 1HB ASN 5 -3.328 6.573 2.962 36 1HD2 ASN 5 1HD2 ASN 5 -4.233 8.298 1.773 37 2HD2 ASN 5 2HD2 ASN 5 -5.796 8.935 2.181 38 H GLN 6 H GLN 6 -5.358 3.774 -0.136 39 HA GLN 6 HA GLN 6 -7.898 3.312 1.269 40 1HB GLN 6 2HB GLN 6 -8.686 2.632 -1.062 41 2HB GLN 6 1HB GLN 6 -8.338 4.336 -0.805 42 1HG GLN 6 2HG GLN 6 -6.215 4.120 -1.917 43 2HG GLN 6 1HG GLN 6 -6.433 2.376 -2.064 44 1HE2 GLN 6 1HE2 GLN 6 -6.797 5.324 -3.573 45 2HE2 GLN 6 2HE2 GLN 6 -7.847 4.835 -4.867 46 H GLN 7 H GLN 7 -7.665 1.488 2.445 47 HA GLN 7 HA GLN 7 -6.201 -0.783 1.467 48 1HB GLN 7 2HB GLN 7 -7.140 -1.836 3.592 49 2HB GLN 7 1HB GLN 7 -6.061 -0.467 3.796 50 1HG GLN 7 2HG GLN 7 -7.815 0.970 4.372 51 2HG GLN 7 1HG GLN 7 -9.039 -0.138 3.751 52 1HE2 GLN 7 1HE2 GLN 7 -8.678 -2.443 4.855 53 2HE2 GLN 7 2HE2 GLN 7 -8.673 -2.373 6.589 54 H SER 8 H SER 8 -6.984 -2.539 0.459 55 HA SER 8 HA SER 8 -8.424 -3.944 -0.604 56 1HB SER 8 2HB SER 8 -10.535 -3.064 1.371 57 2HB SER 8 1HB SER 8 -10.397 -4.620 0.543 58 HG SER 8 HG SER 8 -8.550 -3.608 2.450 59 H SER 9 H SER 9 -11.201 -3.750 -1.067 60 HA SER 9 HA SER 9 -11.208 -1.533 -2.965 61 1HB SER 9 2HB SER 9 -11.808 -3.976 -3.551 62 2HB SER 9 1HB SER 9 -13.344 -3.645 -2.749 63 HG SER 9 HG SER 9 -13.834 -2.160 -4.273 64 H GLN 10 H GLN 10 -11.711 -1.283 0.014 65 HA GLN 10 HA GLN 10 -14.464 -0.632 0.337 66 1HB GLN 10 2HB GLN 10 -11.986 -0.363 1.950 67 2HB GLN 10 1HB GLN 10 -13.336 0.691 2.370 68 1HG GLN 10 2HG GLN 10 -14.123 -2.077 1.973 69 2HG GLN 10 1HG GLN 10 -12.929 -1.872 3.255 70 1HE2 GLN 10 1HE2 GLN 10 -15.142 -2.781 4.180 71 2HE2 GLN 10 2HE2 GLN 10 -16.131 -1.567 4.929 72 H ALA 11 H ALA 11 -14.731 1.752 1.445 73 HA ALA 11 HA ALA 11 -14.835 3.545 -0.685 74 1HB ALA 11 1HB ALA 11 -16.153 3.596 1.485 75 2HB ALA 11 2HB ALA 11 -15.608 5.151 0.853 76 3HB ALA 11 3HB ALA 11 -14.750 4.395 2.195 77 HA PRO 12 HA PRO 12 -10.422 4.468 -1.102 78 1HB PRO 12 2HB PRO 12 -11.807 6.733 -2.504 79 2HB PRO 12 1HB PRO 12 -10.354 5.840 -2.983 80 1HG PRO 12 2HG PRO 12 -12.649 5.228 -4.114 81 2HG PRO 12 1HG PRO 12 -11.568 3.929 -3.558 82 1HD PRO 12 2HD PRO 12 -14.097 4.943 -2.329 83 2HD PRO 12 1HD PRO 12 -13.459 3.284 -2.404 84 H THR 13 H THR 13 -9.031 6.296 -0.553 85 HA THR 13 HA THR 13 -10.119 8.519 0.909 86 HB THR 13 HB THR 13 -8.490 6.456 2.407 87 HG1 THR 13 1HG THR 13 -11.187 7.232 2.792 88 1HG2 THR 13 1HG2 THR 13 -9.679 9.064 3.310 89 2HG2 THR 13 2HG2 THR 13 -7.972 8.619 3.269 90 3HG2 THR 13 3HG2 THR 13 -9.068 7.815 4.395 91 H THR 14 H THR 14 -8.853 10.199 0.493 92 HA THR 14 HA THR 14 -6.074 9.691 -0.318 93 HB THR 14 HB THR 14 -6.152 11.761 -1.527 94 HG1 THR 14 1HG THR 14 -8.640 12.153 -0.235 95 1HG2 THR 14 1HG2 THR 14 -7.199 9.971 -2.746 96 2HG2 THR 14 2HG2 THR 14 -8.063 11.479 -3.044 97 3HG2 THR 14 3HG2 THR 14 -8.736 10.280 -1.939 98 H LYS 15 H LYS 15 -4.429 10.401 0.883 99 HA LYS 15 HA LYS 15 -4.687 12.683 2.625 100 1HB LYS 15 2HB LYS 15 -5.460 10.347 3.753 101 2HB LYS 15 1HB LYS 15 -3.737 10.304 4.101 102 1HG LYS 15 2HG LYS 15 -4.545 12.891 4.755 103 2HG LYS 15 1HG LYS 15 -5.827 11.836 5.353 104 1HD LYS 15 2HD LYS 15 -2.917 11.297 5.890 105 2HD LYS 15 1HD LYS 15 -3.897 12.321 6.942 106 1HE LYS 15 2HE LYS 15 -5.056 9.699 6.251 107 2HE LYS 15 1HE LYS 15 -3.614 9.657 7.266 108 1HZ LYS 15 1HZ LYS 15 -5.020 11.558 8.483 109 2HZ LYS 15 2HZ LYS 15 -5.120 9.920 8.897 110 3HZ LYS 15 3HZ LYS 15 -6.286 10.608 7.882 111 H THR 16 H THR 16 -2.550 12.833 4.003 112 HA THR 16 HA THR 16 -0.277 11.847 2.431 113 HB THR 16 HB THR 16 -0.702 14.092 1.612 114 HG1 THR 16 1HG THR 16 1.451 13.677 1.757 115 1HG2 THR 16 1HG2 THR 16 -1.599 14.708 4.121 116 2HG2 THR 16 2HG2 THR 16 -1.267 15.861 2.828 117 3HG2 THR 16 3HG2 THR 16 -0.039 15.527 4.049 118 H CYS 17 H CYS 17 1.794 12.036 3.579 119 HA CYS 17 HA CYS 17 1.399 11.639 6.459 120 1HB CYS 17 2HB CYS 17 3.799 10.873 4.786 121 2HB CYS 17 1HB CYS 17 3.456 10.375 6.445 122 H SER 18 H SER 18 3.112 12.404 7.916 123 HA SER 18 HA SER 18 4.260 14.950 6.975 124 1HB SER 18 2HB SER 18 4.179 15.228 9.690 125 2HB SER 18 1HB SER 18 2.925 15.807 8.593 126 HG SER 18 HG SER 18 1.805 14.581 9.965 127 H GLY 19 H GLY 19 6.344 14.506 6.536 128 1HA GLY 19 2HA GLY 19 8.541 14.489 7.597 129 2HA GLY 19 1HA GLY 19 7.923 13.264 8.703 130 H GLU 20 H GLU 20 6.571 11.727 6.659 131 HA GLU 20 HA GLU 20 8.739 10.075 5.862 132 1HB GLU 20 2HB GLU 20 5.778 10.052 5.439 133 2HB GLU 20 1HB GLU 20 6.792 8.986 4.468 134 1HG GLU 20 2HG GLU 20 6.829 7.527 6.123 135 2HG GLU 20 1HG GLU 20 7.624 8.718 7.153 136 H THR 21 H THR 21 9.503 9.606 3.782 137 HA THR 21 HA THR 21 8.915 11.679 1.771 138 HB THR 21 HB THR 21 11.520 10.185 1.921 139 HG1 THR 21 1HG THR 21 11.415 11.173 3.886 140 1HG2 THR 21 1HG2 THR 21 10.472 12.368 0.332 141 2HG2 THR 21 2HG2 THR 21 11.899 11.363 0.081 142 3HG2 THR 21 3HG2 THR 21 11.988 12.776 1.132 143 H ASN 22 H ASN 22 9.385 8.270 2.382 144 HA ASN 22 HA ASN 22 8.753 7.719 -0.439 145 1HB ASN 22 2HB ASN 22 9.638 5.316 0.589 146 2HB ASN 22 1HB ASN 22 10.591 6.440 -0.382 147 1HD2 ASN 22 1HD2 ASN 22 12.537 6.158 0.498 148 2HD2 ASN 22 2HD2 ASN 22 12.921 6.495 2.155 149 H CYS 23 H CYS 23 7.225 6.132 -0.943 150 HA CYS 23 HA CYS 23 5.477 5.305 1.277 151 1HB CYS 23 2HB CYS 23 4.859 6.530 -1.364 152 2HB CYS 23 1HB CYS 23 3.767 5.284 -0.773 153 H TYR 24 H TYR 24 3.903 3.492 0.187 154 HA TYR 24 HA TYR 24 5.280 1.755 -1.627 155 1HB TYR 24 2HB TYR 24 5.555 -0.142 -0.105 156 2HB TYR 24 1HB TYR 24 6.524 1.238 0.407 157 HD1 TYR 24 1HD TYR 24 3.636 -0.875 1.199 158 HD2 TYR 24 2HD TYR 24 6.006 2.424 2.461 159 HE1 TYR 24 1HE TYR 24 2.629 -1.014 3.439 160 HE2 TYR 24 2HE TYR 24 5.007 2.293 4.702 161 HH TYR 24 HH TYR 24 3.649 -0.117 5.974 162 H LYS 25 H LYS 25 4.158 -0.508 -1.542 163 HA LYS 25 HA LYS 25 1.346 -0.423 -0.888 164 1HB LYS 25 2HB LYS 25 1.757 0.662 -3.238 165 2HB LYS 25 1HB LYS 25 1.996 -1.007 -3.757 166 1HG LYS 25 2HG LYS 25 -0.262 -1.487 -2.688 167 2HG LYS 25 1HG LYS 25 -0.479 0.263 -2.649 168 1HD LYS 25 2HD LYS 25 -0.669 0.426 -4.915 169 2HD LYS 25 1HD LYS 25 0.397 -0.948 -5.211 170 1HE LYS 25 2HE LYS 25 -1.448 -2.114 -5.662 171 2HE LYS 25 1HE LYS 25 -1.770 -2.080 -3.930 172 1HZ LYS 25 1HZ LYS 25 -3.582 -0.902 -4.332 173 2HZ LYS 25 2HZ LYS 25 -3.265 -0.922 -5.993 174 3HZ LYS 25 3HZ LYS 25 -2.662 0.333 -5.033 175 H LYS 26 H LYS 26 0.758 -2.404 -0.251 176 HA LYS 26 HA LYS 26 2.365 -4.672 -1.222 177 1HB LYS 26 2HB LYS 26 1.806 -5.748 1.008 178 2HB LYS 26 1HB LYS 26 2.971 -4.446 1.021 179 1HG LYS 26 2HG LYS 26 0.569 -3.160 1.450 180 2HG LYS 26 1HG LYS 26 0.424 -4.661 2.362 181 1HD LYS 26 2HD LYS 26 2.773 -2.783 2.562 182 2HD LYS 26 1HD LYS 26 1.391 -2.760 3.658 183 1HE LYS 26 2HE LYS 26 3.455 -4.908 3.284 184 2HE LYS 26 1HE LYS 26 3.031 -4.036 4.757 185 1HZ LYS 26 1HZ LYS 26 2.101 -6.199 4.898 186 2HZ LYS 26 2HZ LYS 26 1.410 -6.089 3.358 187 3HZ LYS 26 3HZ LYS 26 0.816 -5.133 4.620 188 H TRP 27 H TRP 27 1.328 -6.731 -1.183 189 HA TRP 27 HA TRP 27 -1.514 -6.888 -0.919 190 1HB TRP 27 2HB TRP 27 -1.884 -7.660 -3.287 191 2HB TRP 27 1HB TRP 27 -1.607 -5.954 -3.088 192 HD1 TRP 27 HD TRP 27 -0.304 -8.955 -4.750 193 HE1 TRP 27 1HE TRP 27 1.684 -8.352 -6.247 194 HE3 TRP 27 3HE TRP 27 0.463 -4.156 -3.188 195 HZ2 TRP 27 2HZ TRP 27 3.371 -6.140 -6.717 196 HZ3 TRP 27 3HZ TRP 27 2.282 -2.866 -4.214 197 HH2 TRP 27 HH TRP 27 3.706 -3.834 -5.942 198 H TRP 28 H TRP 28 -2.336 -8.986 -1.160 199 HA TRP 28 HA TRP 28 -0.453 -11.162 -1.575 200 1HB TRP 28 2HB TRP 28 -1.014 -12.188 0.639 201 2HB TRP 28 1HB TRP 28 -0.102 -10.687 0.772 202 HD1 TRP 28 HD TRP 28 -3.399 -12.230 1.648 203 HE1 TRP 28 1HE TRP 28 -4.730 -10.579 3.061 204 HE3 TRP 28 3HE TRP 28 -0.457 -8.086 1.114 205 HZ2 TRP 28 2HZ TRP 28 -4.594 -7.889 3.886 206 HZ3 TRP 28 3HZ TRP 28 -1.128 -6.011 2.255 207 HH2 TRP 28 HH TRP 28 -3.157 -5.917 3.611 208 H SER 29 H SER 29 -1.810 -13.305 -0.827 209 HA SER 29 HA SER 29 -4.524 -13.013 -1.919 210 1HB SER 29 2HB SER 29 -2.485 -14.076 -3.390 211 2HB SER 29 1HB SER 29 -3.151 -15.524 -2.626 212 HG SER 29 HG SER 29 -5.254 -14.652 -3.388 213 H ASP 30 H ASP 30 -5.981 -13.769 -0.562 214 HA ASP 30 HA ASP 30 -5.654 -16.295 0.763 215 1HB ASP 30 2HB ASP 30 -6.219 -15.178 3.045 216 2HB ASP 30 1HB ASP 30 -4.545 -15.207 2.491 217 H HIS 31 H HIS 31 -7.593 -16.933 1.948 218 HA HIS 31 HA HIS 31 -9.835 -17.399 1.745 219 1HB HIS 31 2HB HIS 31 -11.250 -15.411 2.468 220 2HB HIS 31 1HB HIS 31 -9.964 -15.895 3.567 221 HD1 HIS 31 1HD HIS 31 -10.735 -13.243 0.979 222 HD2 HIS 31 2HD HIS 31 -8.164 -13.926 4.170 223 HE1 HIS 31 1HE HIS 31 -9.540 -11.064 1.358 224 HE2 HIS 31 2HE HIS 31 -8.074 -11.470 3.366 225 H ARG 32 H ARG 32 -9.676 -17.808 -0.572 226 HA ARG 32 HA ARG 32 -9.983 -17.315 -2.812 227 1HB ARG 32 2HB ARG 32 -12.767 -16.706 -2.004 228 2HB ARG 32 1HB ARG 32 -12.159 -17.828 -3.213 229 1HG ARG 32 2HG ARG 32 -11.636 -19.454 -1.579 230 2HG ARG 32 1HG ARG 32 -11.890 -18.307 -0.262 231 1HD ARG 32 2HD ARG 32 -14.226 -18.554 -1.966 232 2HD ARG 32 1HD ARG 32 -13.741 -20.100 -1.275 233 HE ARG 32 HE ARG 32 -14.216 -19.290 0.852 234 1HH1 ARG 32 1HH1 ARG 32 -14.664 -16.791 -1.551 235 2HH1 ARG 32 2HH1 ARG 32 -15.532 -15.747 -0.477 236 1HH2 ARG 32 1HH2 ARG 32 -15.355 -17.913 2.258 237 2HH2 ARG 32 2HH2 ARG 32 -15.922 -16.380 1.681 238 H GLY 33 H GLY 33 -8.796 -15.059 -2.101 239 1HA GLY 33 2HA GLY 33 -9.893 -13.128 -3.841 240 2HA GLY 33 1HA GLY 33 -10.267 -12.678 -2.179 241 H THR 34 H THR 34 -8.854 -10.874 -3.408 242 HA THR 34 HA THR 34 -6.098 -11.272 -2.445 243 HB THR 34 HB THR 34 -6.695 -9.429 -4.730 244 HG1 THR 34 1HG THR 34 -7.527 -11.309 -5.505 245 1HG2 THR 34 1HG2 THR 34 -4.425 -9.625 -3.546 246 2HG2 THR 34 2HG2 THR 34 -4.470 -9.660 -5.308 247 3HG2 THR 34 3HG2 THR 34 -4.284 -11.161 -4.401 248 H ILE 35 H ILE 35 -5.023 -9.363 -1.672 249 HA ILE 35 HA ILE 35 -6.792 -7.090 -1.089 250 HB ILE 35 HB ILE 35 -4.973 -8.311 0.983 251 1HG1 ILE 35 2HG1 ILE 35 -7.984 -8.517 0.746 252 2HG1 ILE 35 1HG1 ILE 35 -6.849 -9.827 0.437 253 1HG2 ILE 35 1HG2 ILE 35 -6.512 -6.853 2.458 254 2HG2 ILE 35 2HG2 ILE 35 -6.895 -6.018 0.953 255 3HG2 ILE 35 3HG2 ILE 35 -5.230 -6.071 1.532 256 1HD1 ILE 35 1HD1 ILE 35 -8.103 -9.320 2.810 257 2HD1 ILE 35 2HD1 ILE 35 -6.509 -8.606 3.057 258 3HD1 ILE 35 3HD1 ILE 35 -6.654 -10.304 2.600 259 H ILE 36 H ILE 36 -5.779 -5.099 -0.852 260 HA ILE 36 HA ILE 36 -2.874 -4.981 -1.225 261 HB ILE 36 HB ILE 36 -3.064 -3.304 -2.991 262 1HG1 ILE 36 2HG1 ILE 36 -6.037 -3.842 -2.794 263 2HG1 ILE 36 1HG1 ILE 36 -5.218 -2.328 -2.430 264 1HG2 ILE 36 1HG2 ILE 36 -2.964 -4.942 -4.487 265 2HG2 ILE 36 2HG2 ILE 36 -4.697 -5.238 -4.353 266 3HG2 ILE 36 3HG2 ILE 36 -3.578 -6.045 -3.255 267 1HD1 ILE 36 1HD1 ILE 36 -4.434 -2.596 -4.950 268 2HD1 ILE 36 2HD1 ILE 36 -5.965 -1.840 -4.507 269 3HD1 ILE 36 3HD1 ILE 36 -5.933 -3.521 -5.036 270 H GLU 37 H GLU 37 -1.960 -3.451 0.098 271 HA GLU 37 HA GLU 37 -3.714 -1.289 1.053 272 1HB GLU 37 2HB GLU 37 -1.978 -1.636 3.139 273 2HB GLU 37 1HB GLU 37 -3.626 -2.260 3.072 274 1HG GLU 37 2HG GLU 37 -2.907 -4.398 2.489 275 2HG GLU 37 1HG GLU 37 -1.304 -3.837 2.031 276 H ARG 38 H ARG 38 -2.499 0.565 1.981 277 HA ARG 38 HA ARG 38 -0.024 1.029 0.450 278 1HB ARG 38 2HB ARG 38 -1.659 3.313 1.454 279 2HB ARG 38 1HB ARG 38 -0.657 3.203 0.016 280 1HG ARG 38 2HG ARG 38 -3.039 1.474 0.023 281 2HG ARG 38 1HG ARG 38 -3.351 3.210 -0.003 282 1HD ARG 38 2HD ARG 38 -1.983 3.469 -1.970 283 2HD ARG 38 1HD ARG 38 -1.509 1.773 -1.906 284 HE ARG 38 HE ARG 38 -3.889 2.833 -3.042 285 1HH1 ARG 38 1HH1 ARG 38 -2.619 0.068 -1.333 286 2HH1 ARG 38 2HH1 ARG 38 -3.805 -1.024 -1.964 287 1HH2 ARG 38 1HH2 ARG 38 -5.452 1.398 -3.872 288 2HH2 ARG 38 2HH2 ARG 38 -5.412 -0.270 -3.407 289 H GLY 39 H GLY 39 0.872 3.327 1.615 290 1HA GLY 39 2HA GLY 39 0.861 3.609 4.345 291 2HA GLY 39 1HA GLY 39 2.023 2.329 4.041 292 H CYS 40 H CYS 40 3.321 4.119 5.172 293 HA CYS 40 HA CYS 40 4.577 5.755 3.075 294 1HB CYS 40 2HB CYS 40 3.333 6.631 5.567 295 2HB CYS 40 1HB CYS 40 5.003 7.179 5.416 296 H GLY 41 H GLY 41 6.299 4.370 2.794 297 1HA GLY 41 2HA GLY 41 8.615 4.682 4.153 298 2HA GLY 41 1HA GLY 41 7.813 3.398 5.058 299 H CYS 42 H CYS 42 9.410 1.885 4.510 300 HA CYS 42 HA CYS 42 8.937 0.550 2.015 301 1HB CYS 42 2HB CYS 42 10.570 2.297 1.344 302 2HB CYS 42 1HB CYS 42 11.711 1.652 2.528 303 HA PRO 43 HA PRO 43 10.446 -2.042 5.606 304 1HB PRO 43 2HB PRO 43 8.155 -3.258 6.279 305 2HB PRO 43 1HB PRO 43 8.550 -1.635 6.872 306 1HG PRO 43 2HG PRO 43 6.741 -2.448 4.627 307 2HG PRO 43 1HG PRO 43 6.494 -1.207 5.875 308 1HD PRO 43 2HD PRO 43 7.349 -0.675 3.315 309 2HD PRO 43 1HD PRO 43 7.691 0.362 4.718 310 H LYS 44 H LYS 44 9.610 -4.560 5.886 311 HA LYS 44 HA LYS 44 10.001 -5.717 3.212 312 1HB LYS 44 2HB LYS 44 11.028 -6.355 5.880 313 2HB LYS 44 1HB LYS 44 10.439 -7.762 5.005 314 1HG LYS 44 2HG LYS 44 12.720 -7.613 4.495 315 2HG LYS 44 1HG LYS 44 11.882 -6.992 3.072 316 1HD LYS 44 2HD LYS 44 12.676 -4.896 3.359 317 2HD LYS 44 1HD LYS 44 12.572 -4.988 5.118 318 1HE LYS 44 2HE LYS 44 14.658 -6.464 3.532 319 2HE LYS 44 1HE LYS 44 14.901 -4.822 4.127 320 1HZ LYS 44 1HZ LYS 44 15.126 -5.526 6.239 321 2HZ LYS 44 2HZ LYS 44 15.561 -6.988 5.508 322 3HZ LYS 44 3HZ LYS 44 13.986 -6.767 6.083 323 H VAL 45 H VAL 45 9.210 -8.269 3.530 324 HA VAL 45 HA VAL 45 6.505 -8.283 4.619 325 HB VAL 45 HB VAL 45 5.691 -9.340 2.430 326 1HG1 VAL 45 1HG1 VAL 45 6.344 -6.426 2.160 327 2HG1 VAL 45 2HG1 VAL 45 5.209 -7.003 3.379 328 3HG1 VAL 45 3HG1 VAL 45 4.885 -7.286 1.668 329 1HG2 VAL 45 1HG2 VAL 45 7.998 -9.547 1.479 330 2HG2 VAL 45 2HG2 VAL 45 8.011 -7.795 1.286 331 3HG2 VAL 45 3HG2 VAL 45 6.829 -8.769 0.411 332 H LYS 46 H LYS 46 5.541 -10.446 4.623 333 HA LYS 46 HA LYS 46 7.474 -12.414 5.323 334 1HB LYS 46 2HB LYS 46 4.493 -12.234 5.434 335 2HB LYS 46 1HB LYS 46 5.274 -13.793 5.640 336 1HG LYS 46 2HG LYS 46 5.933 -11.373 7.297 337 2HG LYS 46 1HG LYS 46 4.735 -12.584 7.758 338 1HD LYS 46 2HD LYS 46 7.275 -13.771 6.985 339 2HD LYS 46 1HD LYS 46 7.440 -12.648 8.336 340 1HE LYS 46 2HE LYS 46 6.241 -13.954 9.743 341 2HE LYS 46 1HE LYS 46 5.165 -14.524 8.469 342 1HZ LYS 46 1HZ LYS 46 7.217 -15.811 7.670 343 2HZ LYS 46 2HZ LYS 46 6.387 -16.392 9.025 344 3HZ LYS 46 3HZ LYS 46 7.832 -15.534 9.222 345 HA PRO 47 HA PRO 47 7.618 -14.849 1.676 346 1HB PRO 47 2HB PRO 47 6.995 -17.384 2.815 347 2HB PRO 47 1HB PRO 47 8.575 -16.725 2.441 348 1HG PRO 47 2HG PRO 47 7.425 -17.149 4.971 349 2HG PRO 47 1HG PRO 47 9.006 -16.469 4.594 350 1HD PRO 47 2HD PRO 47 6.661 -15.135 5.564 351 2HD PRO 47 1HD PRO 47 8.280 -14.476 5.270 352 H GLY 48 H GLY 48 5.701 -13.928 0.767 353 1HA GLY 48 2HA GLY 48 3.912 -15.531 -0.405 354 2HA GLY 48 1HA GLY 48 3.173 -15.303 1.177 355 H VAL 49 H VAL 49 3.469 -12.794 1.801 356 HA VAL 49 HA VAL 49 1.773 -11.410 -0.062 357 HB VAL 49 HB VAL 49 1.301 -11.152 2.269 358 1HG1 VAL 49 1HG1 VAL 49 4.193 -10.718 2.462 359 2HG1 VAL 49 2HG1 VAL 49 3.067 -11.440 3.611 360 3HG1 VAL 49 3HG1 VAL 49 3.207 -9.686 3.498 361 1HG2 VAL 49 1HG2 VAL 49 2.537 -8.516 1.555 362 2HG2 VAL 49 2HG2 VAL 49 1.023 -8.843 2.398 363 3HG2 VAL 49 3HG2 VAL 49 1.150 -9.142 0.666 364 H ASN 50 H ASN 50 2.347 -9.901 -1.511 365 HA ASN 50 HA ASN 50 5.177 -9.316 -1.831 366 1HB ASN 50 2HB ASN 50 2.915 -8.426 -3.621 367 2HB ASN 50 1HB ASN 50 4.630 -8.544 -4.023 368 1HD2 ASN 50 1HD2 ASN 50 1.637 -10.144 -3.904 369 2HD2 ASN 50 2HD2 ASN 50 2.184 -11.707 -4.430 370 H LEU 51 H LEU 51 5.905 -7.132 -2.322 371 HA LEU 51 HA LEU 51 4.305 -4.888 -1.524 372 1HB LEU 51 2HB LEU 51 4.870 -5.555 0.674 373 2HB LEU 51 1HB LEU 51 6.520 -5.933 0.222 374 HG LEU 51 HG LEU 51 6.751 -3.400 -0.242 375 1HD1 LEU 51 1HD1 LEU 51 4.562 -3.154 1.771 376 2HD1 LEU 51 2HD1 LEU 51 4.181 -3.188 0.050 377 3HD1 LEU 51 3HD1 LEU 51 5.240 -1.934 0.695 378 1HD2 LEU 51 1HD2 LEU 51 7.559 -4.905 1.747 379 2HD2 LEU 51 2HD2 LEU 51 6.367 -3.973 2.652 380 3HD2 LEU 51 3HD2 LEU 51 7.691 -3.148 1.830 381 H ASN 52 H ASN 52 5.243 -2.901 -2.147 382 HA ASN 52 HA ASN 52 7.934 -2.904 -3.227 383 1HB ASN 52 2HB ASN 52 7.431 -2.483 -5.462 384 2HB ASN 52 1HB ASN 52 6.251 -3.714 -5.027 385 1HD2 ASN 52 1HD2 ASN 52 4.276 -2.425 -3.824 386 2HD2 ASN 52 2HD2 ASN 52 3.582 -1.224 -4.854 387 H CYS 53 H CYS 53 8.897 -1.046 -2.770 388 HA CYS 53 HA CYS 53 7.335 1.178 -1.770 389 1HB CYS 53 2HB CYS 53 10.308 1.285 -2.058 390 2HB CYS 53 1HB CYS 53 9.278 1.927 -0.784 391 H CYS 54 H CYS 54 7.570 3.337 -2.547 392 HA CYS 54 HA CYS 54 8.935 3.879 -5.011 393 1HB CYS 54 2HB CYS 54 6.703 4.667 -6.090 394 2HB CYS 54 1HB CYS 54 7.153 2.964 -6.187 395 H ARG 55 H ARG 55 8.899 6.001 -5.634 396 HA ARG 55 HA ARG 55 8.082 7.852 -3.515 397 1HB ARG 55 2HB ARG 55 10.259 8.840 -5.083 398 2HB ARG 55 1HB ARG 55 10.197 8.499 -3.362 399 1HG ARG 55 2HG ARG 55 10.702 6.112 -3.912 400 2HG ARG 55 1HG ARG 55 10.989 6.635 -5.577 401 1HD ARG 55 2HD ARG 55 13.053 7.261 -5.046 402 2HD ARG 55 1HD ARG 55 12.429 8.352 -3.811 403 HE ARG 55 HE ARG 55 12.353 5.944 -2.591 404 1HH1 ARG 55 1HH1 ARG 55 14.862 7.666 -4.300 405 2HH1 ARG 55 2HH1 ARG 55 16.146 6.967 -3.372 406 1HH2 ARG 55 1HH2 ARG 55 14.042 5.025 -1.369 407 2HH2 ARG 55 2HH2 ARG 55 15.682 5.467 -1.709 408 H THR 56 H THR 56 6.513 7.132 -5.843 409 HA THR 56 HA THR 56 6.560 9.688 -7.311 410 HB THR 56 HB THR 56 5.121 7.356 -8.457 411 HG1 THR 56 1HG THR 56 7.001 6.336 -7.883 412 1HG2 THR 56 1HG2 THR 56 6.762 9.613 -9.536 413 2HG2 THR 56 2HG2 THR 56 5.070 9.223 -9.843 414 3HG2 THR 56 3HG2 THR 56 6.346 8.212 -10.522 415 H ASP 57 H ASP 57 4.550 10.666 -7.817 416 HA ASP 57 HA ASP 57 2.651 10.580 -5.737 417 1HB ASP 57 2HB ASP 57 3.250 12.389 -7.652 418 2HB ASP 57 1HB ASP 57 1.786 11.686 -8.346 419 H ARG 58 H ARG 58 0.990 9.263 -5.402 420 HA ARG 58 HA ARG 58 -0.618 7.685 -5.709 421 1HB ARG 58 2HB ARG 58 -0.574 8.688 -8.564 422 2HB ARG 58 1HB ARG 58 -1.828 7.672 -7.856 423 1HG ARG 58 2HG ARG 58 -2.298 9.489 -6.229 424 2HG ARG 58 1HG ARG 58 -1.144 10.503 -7.097 425 1HD ARG 58 2HD ARG 58 -2.498 10.695 -8.948 426 2HD ARG 58 1HD ARG 58 -3.345 9.185 -8.615 427 HE ARG 58 HE ARG 58 -3.825 11.230 -6.656 428 1HH1 ARG 58 1HH1 ARG 58 -4.824 9.934 -9.738 429 2HH1 ARG 58 2HH1 ARG 58 -6.425 10.586 -9.634 430 1HH2 ARG 58 1HH2 ARG 58 -5.930 12.088 -6.517 431 2HH2 ARG 58 2HH2 ARG 58 -7.053 11.810 -7.807 432 H CYS 59 H CYS 59 2.206 7.014 -6.065 433 HA CYS 59 HA CYS 59 2.531 5.200 -8.203 434 1HB CYS 59 2HB CYS 59 4.573 4.584 -7.154 435 2HB CYS 59 1HB CYS 59 4.358 6.305 -6.850 436 H ASN 60 H ASN 60 1.169 4.915 -5.009 437 HA ASN 60 HA ASN 60 0.999 2.002 -5.254 438 1HB ASN 60 2HB ASN 60 0.177 2.109 -2.897 439 2HB ASN 60 1HB ASN 60 1.796 2.777 -3.115 440 1HD2 ASN 60 1HD2 ASN 60 1.228 3.753 -1.016 441 2HD2 ASN 60 2HD2 ASN 60 0.393 5.276 -1.026 442 H ASN 61 H ASN 61 -0.623 3.940 -6.854 443 HA ASN 61 HA ASN 61 -3.271 3.976 -5.901 444 1HB ASN 61 2HB ASN 61 -3.851 4.875 -7.964 445 2HB ASN 61 1HB ASN 61 -2.160 5.327 -7.825 446 1HD2 ASN 61 1HD2 ASN 61 -1.065 2.786 -8.433 447 2HD2 ASN 61 2HD2 ASN 61 -1.350 2.480 -10.116 Start of MODEL 14 1 1H LEU 1 1HT LEU 1 3.946 12.936 1.369 2 2H LEU 1 2HT LEU 1 3.651 14.358 0.454 3 3H LEU 1 3HT LEU 1 5.137 13.517 0.283 4 HA LEU 1 HA LEU 1 3.462 13.213 -1.509 5 1HB LEU 1 2HB LEU 1 5.396 11.603 -0.394 6 2HB LEU 1 1HB LEU 1 4.007 10.534 -0.450 7 HG LEU 1 HG LEU 1 4.523 12.025 -2.939 8 1HD1 LEU 1 1HD1 LEU 1 6.330 9.717 -2.341 9 2HD1 LEU 1 2HD1 LEU 1 6.808 11.365 -1.934 10 3HD1 LEU 1 3HD1 LEU 1 6.455 10.937 -3.608 11 1HD2 LEU 1 1HD2 LEU 1 3.834 9.197 -2.183 12 2HD2 LEU 1 2HD2 LEU 1 4.155 9.696 -3.843 13 3HD2 LEU 1 3HD2 LEU 1 2.805 10.402 -2.956 14 H GLU 2 H GLU 2 1.353 13.030 -1.845 15 HA GLU 2 HA GLU 2 -0.374 12.008 0.254 16 1HB GLU 2 2HB GLU 2 -0.988 14.083 -0.892 17 2HB GLU 2 1HB GLU 2 -1.036 13.231 -2.430 18 1HG GLU 2 2HG GLU 2 -2.832 11.772 -1.410 19 2HG GLU 2 1HG GLU 2 -2.889 12.937 -0.088 20 H CYS 3 H CYS 3 0.125 9.781 0.191 21 HA CYS 3 HA CYS 3 -0.214 8.274 -2.230 22 1HB CYS 3 2HB CYS 3 -0.128 7.044 0.505 23 2HB CYS 3 1HB CYS 3 0.512 6.430 -1.016 24 H HIS 4 H HIS 4 -1.666 6.295 -2.163 25 HA HIS 4 HA HIS 4 -4.322 7.127 -1.218 26 1HB HIS 4 2HB HIS 4 -3.570 5.135 -3.370 27 2HB HIS 4 1HB HIS 4 -5.217 5.575 -2.911 28 HD1 HIS 4 1HD HIS 4 -5.677 8.302 -3.195 29 HD2 HIS 4 2HD HIS 4 -2.637 6.584 -5.447 30 HE1 HIS 4 1HE HIS 4 -5.262 9.900 -5.090 31 HE2 HIS 4 2HE HIS 4 -3.525 8.767 -6.516 32 H ASN 5 H ASN 5 -4.251 6.348 0.880 33 HA ASN 5 HA ASN 5 -3.524 3.596 1.392 34 1HB ASN 5 2HB ASN 5 -4.007 4.126 3.739 35 2HB ASN 5 1HB ASN 5 -2.951 5.347 3.020 36 1HD2 ASN 5 1HD2 ASN 5 -4.823 5.425 5.318 37 2HD2 ASN 5 2HD2 ASN 5 -5.874 6.769 4.997 38 H GLN 6 H GLN 6 -5.428 3.287 -0.344 39 HA GLN 6 HA GLN 6 -8.008 3.056 1.002 40 1HB GLN 6 2HB GLN 6 -8.893 2.510 -1.216 41 2HB GLN 6 1HB GLN 6 -7.984 4.015 -1.245 42 1HG GLN 6 2HG GLN 6 -6.152 1.974 -1.848 43 2HG GLN 6 1HG GLN 6 -7.605 1.637 -2.786 44 1HE2 GLN 6 1HE2 GLN 6 -8.478 4.265 -3.171 45 2HE2 GLN 6 2HE2 GLN 6 -7.360 5.064 -4.232 46 H GLN 7 H GLN 7 -8.178 1.290 2.240 47 HA GLN 7 HA GLN 7 -6.847 -1.170 1.586 48 1HB GLN 7 2HB GLN 7 -8.154 -1.989 3.618 49 2HB GLN 7 1HB GLN 7 -6.967 -0.726 3.892 50 1HG GLN 7 2HG GLN 7 -8.589 0.898 4.225 51 2HG GLN 7 1HG GLN 7 -9.838 -0.044 3.413 52 1HE2 GLN 7 1HE2 GLN 7 -8.931 1.065 6.306 53 2HE2 GLN 7 2HE2 GLN 7 -9.602 -0.158 7.339 54 H SER 8 H SER 8 -7.877 -3.174 1.162 55 HA SER 8 HA SER 8 -9.350 -4.547 0.106 56 1HB SER 8 2HB SER 8 -10.869 -3.067 1.980 57 2HB SER 8 1HB SER 8 -11.827 -3.134 0.496 58 HG SER 8 HG SER 8 -12.079 -5.220 0.748 59 H SER 9 H SER 9 -11.723 -4.013 -1.289 60 HA SER 9 HA SER 9 -10.624 -2.769 -3.656 61 1HB SER 9 2HB SER 9 -13.023 -4.433 -3.035 62 2HB SER 9 1HB SER 9 -13.065 -3.419 -4.478 63 HG SER 9 HG SER 9 -11.709 -4.723 -5.414 64 H GLN 10 H GLN 10 -13.927 -2.457 -2.389 65 HA GLN 10 HA GLN 10 -14.149 0.217 -3.359 66 1HB GLN 10 2HB GLN 10 -15.899 -1.700 -1.916 67 2HB GLN 10 1HB GLN 10 -16.308 0.011 -1.799 68 1HG GLN 10 2HG GLN 10 -15.710 -0.835 -4.512 69 2HG GLN 10 1HG GLN 10 -17.059 -1.717 -3.794 70 1HE2 GLN 10 1HE2 GLN 10 -18.090 -0.512 -5.653 71 2HE2 GLN 10 2HE2 GLN 10 -18.757 1.050 -5.290 72 H ALA 11 H ALA 11 -15.374 1.742 -1.591 73 HA ALA 11 HA ALA 11 -15.133 3.124 0.198 74 1HB ALA 11 1HB ALA 11 -14.995 0.713 1.315 75 2HB ALA 11 2HB ALA 11 -14.755 2.197 2.237 76 3HB ALA 11 3HB ALA 11 -13.362 1.269 1.683 77 HA PRO 12 HA PRO 12 -10.903 4.081 -1.731 78 1HB PRO 12 2HB PRO 12 -12.477 6.621 -1.908 79 2HB PRO 12 1HB PRO 12 -11.293 5.950 -3.041 80 1HG PRO 12 2HG PRO 12 -13.841 5.703 -3.611 81 2HG PRO 12 1HG PRO 12 -12.768 4.293 -3.789 82 1HD PRO 12 2HD PRO 12 -14.711 4.921 -1.586 83 2HD PRO 12 1HD PRO 12 -14.405 3.372 -2.410 84 H THR 13 H THR 13 -9.311 5.538 -0.899 85 HA THR 13 HA THR 13 -9.903 7.228 1.347 86 HB THR 13 HB THR 13 -8.131 4.834 1.847 87 HG1 THR 13 1HG THR 13 -10.753 5.271 2.825 88 1HG2 THR 13 1HG2 THR 13 -9.283 6.868 3.740 89 2HG2 THR 13 2HG2 THR 13 -7.594 6.737 3.252 90 3HG2 THR 13 3HG2 THR 13 -8.342 5.446 4.193 91 H THR 14 H THR 14 -8.210 8.630 1.865 92 HA THR 14 HA THR 14 -5.684 8.325 0.438 93 HB THR 14 HB THR 14 -5.777 10.554 -0.524 94 HG1 THR 14 1HG THR 14 -8.370 10.684 0.613 95 1HG2 THR 14 1HG2 THR 14 -7.051 10.094 -2.327 96 2HG2 THR 14 2HG2 THR 14 -8.436 9.585 -1.362 97 3HG2 THR 14 3HG2 THR 14 -7.072 8.492 -1.591 98 H LYS 15 H LYS 15 -3.975 9.597 1.283 99 HA LYS 15 HA LYS 15 -4.425 11.303 3.558 100 1HB LYS 15 2HB LYS 15 -4.223 8.628 4.133 101 2HB LYS 15 1HB LYS 15 -2.556 9.162 4.302 102 1HG LYS 15 2HG LYS 15 -3.222 10.836 5.918 103 2HG LYS 15 1HG LYS 15 -4.918 10.398 5.705 104 1HD LYS 15 2HD LYS 15 -4.723 8.500 6.935 105 2HD LYS 15 1HD LYS 15 -3.061 8.208 6.417 106 1HE LYS 15 2HE LYS 15 -2.612 10.381 7.854 107 2HE LYS 15 1HE LYS 15 -4.096 9.871 8.656 108 1HZ LYS 15 1HZ LYS 15 -3.092 8.096 9.576 109 2HZ LYS 15 2HZ LYS 15 -1.683 9.003 9.346 110 3HZ LYS 15 3HZ LYS 15 -2.104 7.799 8.235 111 H THR 16 H THR 16 -2.189 11.904 4.551 112 HA THR 16 HA THR 16 -0.053 11.835 2.561 113 HB THR 16 HB THR 16 -0.570 14.501 3.755 114 HG1 THR 16 1HG THR 16 -2.196 13.357 1.743 115 1HG2 THR 16 1HG2 THR 16 1.260 13.848 2.058 116 2HG2 THR 16 2HG2 THR 16 0.366 15.350 1.829 117 3HG2 THR 16 3HG2 THR 16 -0.046 13.925 0.875 118 H CYS 17 H CYS 17 2.005 12.087 3.404 119 HA CYS 17 HA CYS 17 2.153 12.146 6.347 120 1HB CYS 17 2HB CYS 17 4.123 10.849 4.454 121 2HB CYS 17 1HB CYS 17 4.104 10.729 6.215 122 H SER 18 H SER 18 2.944 13.994 7.096 123 HA SER 18 HA SER 18 4.395 15.826 5.456 124 1HB SER 18 2HB SER 18 4.747 16.861 7.908 125 2HB SER 18 1HB SER 18 3.232 17.024 7.021 126 HG SER 18 HG SER 18 3.792 15.603 9.299 127 H GLY 19 H GLY 19 5.250 13.533 7.992 128 1HA GLY 19 2HA GLY 19 8.015 14.374 8.052 129 2HA GLY 19 1HA GLY 19 7.315 13.005 8.915 130 H GLU 20 H GLU 20 6.395 11.328 7.126 131 HA GLU 20 HA GLU 20 8.662 10.120 6.019 132 1HB GLU 20 2HB GLU 20 5.708 9.710 5.606 133 2HB GLU 20 1HB GLU 20 6.906 8.734 4.763 134 1HG GLU 20 2HG GLU 20 7.111 8.976 7.715 135 2HG GLU 20 1HG GLU 20 5.839 7.959 7.039 136 H THR 21 H THR 21 8.304 9.331 3.509 137 HA THR 21 HA THR 21 7.775 11.682 1.861 138 HB THR 21 HB THR 21 10.349 10.146 1.566 139 HG1 THR 21 1HG THR 21 11.270 11.443 2.945 140 1HG2 THR 21 1HG2 THR 21 9.857 12.944 0.655 141 2HG2 THR 21 2HG2 THR 21 9.353 11.575 -0.337 142 3HG2 THR 21 3HG2 THR 21 11.052 11.774 0.095 143 H ASN 22 H ASN 22 8.910 8.316 1.753 144 HA ASN 22 HA ASN 22 7.432 7.961 -0.752 145 1HB ASN 22 2HB ASN 22 8.756 5.690 -0.650 146 2HB ASN 22 1HB ASN 22 9.548 7.168 -1.189 147 1HD2 ASN 22 1HD2 ASN 22 8.873 5.369 1.779 148 2HD2 ASN 22 2HD2 ASN 22 10.429 5.632 2.501 149 H CYS 23 H CYS 23 6.261 5.955 -1.090 150 HA CYS 23 HA CYS 23 5.107 4.857 1.386 151 1HB CYS 23 2HB CYS 23 3.819 6.015 -1.022 152 2HB CYS 23 1HB CYS 23 3.083 4.554 -0.370 153 H TYR 24 H TYR 24 3.596 2.824 0.400 154 HA TYR 24 HA TYR 24 5.167 1.313 -1.509 155 1HB TYR 24 2HB TYR 24 5.188 -0.660 0.152 156 2HB TYR 24 1HB TYR 24 6.386 0.618 0.332 157 HD1 TYR 24 1HD TYR 24 6.808 1.259 2.504 158 HD2 TYR 24 2HD TYR 24 2.889 -0.041 1.491 159 HE1 TYR 24 1HE TYR 24 6.102 1.597 4.834 160 HE2 TYR 24 2HE TYR 24 2.171 0.292 3.819 161 HH TYR 24 HH TYR 24 3.094 0.450 6.028 162 H LYS 25 H LYS 25 4.195 -0.617 -2.218 163 HA LYS 25 HA LYS 25 1.306 -0.774 -1.724 164 1HB LYS 25 2HB LYS 25 1.994 -1.963 -4.224 165 2HB LYS 25 1HB LYS 25 0.948 -0.598 -3.906 166 1HG LYS 25 2HG LYS 25 3.087 0.782 -3.804 167 2HG LYS 25 1HG LYS 25 3.850 -0.612 -4.566 168 1HD LYS 25 2HD LYS 25 1.480 0.904 -5.660 169 2HD LYS 25 1HD LYS 25 3.145 1.072 -6.218 170 1HE LYS 25 2HE LYS 25 3.024 -0.779 -7.465 171 2HE LYS 25 1HE LYS 25 2.232 -1.693 -6.182 172 1HZ LYS 25 1HZ LYS 25 0.255 -0.082 -6.938 173 2HZ LYS 25 2HZ LYS 25 0.508 -1.618 -7.602 174 3HZ LYS 25 3HZ LYS 25 1.071 -0.244 -8.412 175 H LYS 26 H LYS 26 1.173 -2.428 -0.354 176 HA LYS 26 HA LYS 26 2.566 -4.912 -1.078 177 1HB LYS 26 2HB LYS 26 1.569 -5.404 1.416 178 2HB LYS 26 1HB LYS 26 3.196 -4.862 1.063 179 1HG LYS 26 2HG LYS 26 2.568 -2.567 1.490 180 2HG LYS 26 1HG LYS 26 0.884 -3.046 1.716 181 1HD LYS 26 2HD LYS 26 1.728 -4.551 3.588 182 2HD LYS 26 1HD LYS 26 3.254 -3.673 3.460 183 1HE LYS 26 2HE LYS 26 1.576 -1.597 3.607 184 2HE LYS 26 1HE LYS 26 0.623 -2.787 4.492 185 1HZ LYS 26 1HZ LYS 26 3.464 -2.333 5.147 186 2HZ LYS 26 2HZ LYS 26 2.246 -2.998 6.115 187 3HZ LYS 26 3HZ LYS 26 2.257 -1.338 5.791 188 H TRP 27 H TRP 27 1.475 -6.720 -1.491 189 HA TRP 27 HA TRP 27 -1.332 -6.940 -0.852 190 1HB TRP 27 2HB TRP 27 -2.104 -7.287 -3.133 191 2HB TRP 27 1HB TRP 27 -1.427 -5.694 -2.955 192 HD1 TRP 27 HD TRP 27 -0.935 -8.932 -4.662 193 HE1 TRP 27 1HE TRP 27 0.813 -8.698 -6.511 194 HE3 TRP 27 3HE TRP 27 0.750 -4.204 -3.607 195 HZ2 TRP 27 2HZ TRP 27 2.670 -6.795 -7.420 196 HZ3 TRP 27 3HZ TRP 27 2.523 -3.282 -5.025 197 HH2 TRP 27 HH TRP 27 3.457 -4.536 -6.890 198 H TRP 28 H TRP 28 -2.266 -8.984 -1.601 199 HA TRP 28 HA TRP 28 -0.480 -11.126 -2.328 200 1HB TRP 28 2HB TRP 28 -0.930 -12.438 -0.238 201 2HB TRP 28 1HB TRP 28 0.073 -11.015 0.021 202 HD1 TRP 28 HD TRP 28 -3.365 -12.402 0.789 203 HE1 TRP 28 1HE TRP 28 -4.431 -10.934 2.580 204 HE3 TRP 28 3HE TRP 28 0.080 -8.635 0.961 205 HZ2 TRP 28 2HZ TRP 28 -3.921 -8.512 3.928 206 HZ3 TRP 28 3HZ TRP 28 -0.285 -6.775 2.530 207 HH2 TRP 28 HH TRP 28 -2.247 -6.716 3.983 208 H SER 29 H SER 29 -1.798 -13.317 -1.849 209 HA SER 29 HA SER 29 -4.572 -12.843 -2.731 210 1HB SER 29 2HB SER 29 -3.216 -15.375 -3.514 211 2HB SER 29 1HB SER 29 -4.403 -14.407 -4.398 212 HG SER 29 HG SER 29 -1.904 -14.477 -4.910 213 H ASP 30 H ASP 30 -6.006 -13.525 -1.288 214 HA ASP 30 HA ASP 30 -5.316 -15.853 0.383 215 1HB ASP 30 2HB ASP 30 -5.634 -13.331 1.338 216 2HB ASP 30 1HB ASP 30 -7.282 -13.943 1.480 217 H HIS 31 H HIS 31 -7.798 -16.104 1.644 218 HA HIS 31 HA HIS 31 -9.217 -17.641 -0.238 219 1HB HIS 31 2HB HIS 31 -10.864 -17.970 1.508 220 2HB HIS 31 1HB HIS 31 -9.254 -18.037 2.214 221 HD1 HIS 31 1HD HIS 31 -12.434 -16.749 2.953 222 HD2 HIS 31 2HD HIS 31 -8.587 -15.198 3.217 223 HE1 HIS 31 1HE HIS 31 -12.583 -14.855 4.600 224 HE2 HIS 31 2HE HIS 31 -10.226 -13.991 4.813 225 H ARG 32 H ARG 32 -9.777 -14.402 1.065 226 HA ARG 32 HA ARG 32 -12.269 -13.974 -0.197 227 1HB ARG 32 2HB ARG 32 -10.229 -12.279 1.143 228 2HB ARG 32 1HB ARG 32 -11.369 -11.463 0.073 229 1HG ARG 32 2HG ARG 32 -13.047 -11.660 1.530 230 2HG ARG 32 1HG ARG 32 -12.648 -13.339 1.903 231 1HD ARG 32 2HD ARG 32 -12.293 -12.250 3.924 232 2HD ARG 32 1HD ARG 32 -10.675 -12.343 3.230 233 HE ARG 32 HE ARG 32 -10.630 -10.067 3.191 234 1HH1 ARG 32 1HH1 ARG 32 -13.964 -11.087 3.314 235 2HH1 ARG 32 2HH1 ARG 32 -14.582 -9.477 3.468 236 1HH2 ARG 32 1HH2 ARG 32 -11.441 -7.947 3.395 237 2HH2 ARG 32 2HH2 ARG 32 -13.149 -7.694 3.511 238 H GLY 33 H GLY 33 -8.984 -13.761 -1.303 239 1HA GLY 33 2HA GLY 33 -9.078 -14.002 -3.877 240 2HA GLY 33 1HA GLY 33 -9.850 -12.421 -3.774 241 H THR 34 H THR 34 -8.624 -10.614 -3.187 242 HA THR 34 HA THR 34 -5.756 -10.977 -2.802 243 HB THR 34 HB THR 34 -6.833 -9.172 -4.972 244 HG1 THR 34 1HG THR 34 -7.114 -11.285 -5.635 245 1HG2 THR 34 1HG2 THR 34 -4.653 -8.762 -5.624 246 2HG2 THR 34 2HG2 THR 34 -4.018 -10.139 -4.723 247 3HG2 THR 34 3HG2 THR 34 -4.563 -8.700 -3.863 248 H ILE 35 H ILE 35 -5.091 -9.692 -1.219 249 HA ILE 35 HA ILE 35 -6.690 -7.294 -0.599 250 HB ILE 35 HB ILE 35 -4.785 -8.616 1.315 251 1HG1 ILE 35 2HG1 ILE 35 -7.740 -9.191 1.002 252 2HG1 ILE 35 1HG1 ILE 35 -6.436 -10.302 0.600 253 1HG2 ILE 35 1HG2 ILE 35 -5.287 -6.669 2.332 254 2HG2 ILE 35 2HG2 ILE 35 -6.750 -7.533 2.801 255 3HG2 ILE 35 3HG2 ILE 35 -6.774 -6.448 1.411 256 1HD1 ILE 35 1HD1 ILE 35 -5.888 -9.663 3.202 257 2HD1 ILE 35 2HD1 ILE 35 -6.736 -11.107 2.650 258 3HD1 ILE 35 3HD1 ILE 35 -7.651 -9.692 3.169 259 H ILE 36 H ILE 36 -5.645 -5.339 -0.142 260 HA ILE 36 HA ILE 36 -2.755 -5.238 -0.598 261 HB ILE 36 HB ILE 36 -2.904 -3.410 -2.164 262 1HG1 ILE 36 2HG1 ILE 36 -4.990 -2.384 -1.323 263 2HG1 ILE 36 1HG1 ILE 36 -5.026 -2.610 -3.066 264 1HG2 ILE 36 1HG2 ILE 36 -3.568 -6.028 -2.724 265 2HG2 ILE 36 2HG2 ILE 36 -3.095 -4.798 -3.894 266 3HG2 ILE 36 3HG2 ILE 36 -4.802 -5.097 -3.570 267 1HD1 ILE 36 1HD1 ILE 36 -6.730 -3.740 -0.993 268 2HD1 ILE 36 2HD1 ILE 36 -6.163 -4.920 -2.176 269 3HD1 ILE 36 3HD1 ILE 36 -7.040 -3.485 -2.710 270 H GLU 37 H GLU 37 -1.745 -3.967 0.821 271 HA GLU 37 HA GLU 37 -3.341 -1.963 2.268 272 1HB GLU 37 2HB GLU 37 -1.231 -2.376 3.921 273 2HB GLU 37 1HB GLU 37 -2.776 -3.211 4.066 274 1HG GLU 37 2HG GLU 37 -1.907 -5.103 2.860 275 2HG GLU 37 1HG GLU 37 -0.385 -4.264 2.568 276 H ARG 38 H ARG 38 -2.134 -0.080 3.019 277 HA ARG 38 HA ARG 38 0.193 0.541 1.331 278 1HB ARG 38 2HB ARG 38 -1.957 2.551 1.974 279 2HB ARG 38 1HB ARG 38 -0.648 2.702 0.811 280 1HG ARG 38 2HG ARG 38 -2.476 0.451 0.340 281 2HG ARG 38 1HG ARG 38 -3.191 2.056 0.176 282 1HD ARG 38 2HD ARG 38 -1.094 2.573 -1.252 283 2HD ARG 38 1HD ARG 38 -0.939 0.819 -1.362 284 HE ARG 38 HE ARG 38 -2.910 2.478 -2.653 285 1HH1 ARG 38 1HH1 ARG 38 -2.126 -0.747 -1.571 286 2HH1 ARG 38 2HH1 ARG 38 -3.205 -1.515 -2.686 287 1HH2 ARG 38 1HH2 ARG 38 -4.330 1.469 -4.116 288 2HH2 ARG 38 2HH2 ARG 38 -4.456 -0.259 -4.131 289 H GLY 39 H GLY 39 1.158 2.748 2.129 290 1HA GLY 39 2HA GLY 39 0.951 3.691 4.701 291 2HA GLY 39 1HA GLY 39 2.013 2.296 4.821 292 H CYS 40 H CYS 40 3.026 4.677 5.555 293 HA CYS 40 HA CYS 40 4.554 5.674 3.260 294 1HB CYS 40 2HB CYS 40 3.732 6.815 5.876 295 2HB CYS 40 1HB CYS 40 5.291 7.331 5.235 296 H GLY 41 H GLY 41 6.559 4.987 2.946 297 1HA GLY 41 2HA GLY 41 8.791 4.915 4.179 298 2HA GLY 41 1HA GLY 41 7.979 3.740 5.214 299 H CYS 42 H CYS 42 9.563 2.174 4.661 300 HA CYS 42 HA CYS 42 8.848 0.630 2.349 301 1HB CYS 42 2HB CYS 42 10.448 2.318 1.416 302 2HB CYS 42 1HB CYS 42 11.683 1.675 2.501 303 HA PRO 43 HA PRO 43 10.659 -1.679 5.982 304 1HB PRO 43 2HB PRO 43 8.443 -2.880 6.892 305 2HB PRO 43 1HB PRO 43 8.846 -1.215 7.345 306 1HG PRO 43 2HG PRO 43 6.900 -2.208 5.296 307 2HG PRO 43 1HG PRO 43 6.724 -0.880 6.462 308 1HD PRO 43 2HD PRO 43 7.392 -0.541 3.812 309 2HD PRO 43 1HD PRO 43 7.803 0.610 5.103 310 H LYS 44 H LYS 44 9.898 -4.187 6.490 311 HA LYS 44 HA LYS 44 9.793 -5.526 3.869 312 1HB LYS 44 2HB LYS 44 11.823 -5.664 5.934 313 2HB LYS 44 1HB LYS 44 11.174 -7.253 5.550 314 1HG LYS 44 2HG LYS 44 12.281 -5.300 3.545 315 2HG LYS 44 1HG LYS 44 13.139 -6.686 4.207 316 1HD LYS 44 2HD LYS 44 11.855 -8.210 3.051 317 2HD LYS 44 1HD LYS 44 10.485 -7.107 2.919 318 1HE LYS 44 2HE LYS 44 12.363 -5.758 1.510 319 2HE LYS 44 1HE LYS 44 12.839 -7.425 1.184 320 1HZ LYS 44 1HZ LYS 44 10.473 -5.972 0.335 321 2HZ LYS 44 2HZ LYS 44 10.213 -7.577 0.801 322 3HZ LYS 44 3HZ LYS 44 11.312 -7.224 -0.436 323 H VAL 45 H VAL 45 9.407 -8.021 4.310 324 HA VAL 45 HA VAL 45 7.624 -8.554 6.519 325 HB VAL 45 HB VAL 45 5.711 -9.208 5.111 326 1HG1 VAL 45 1HG1 VAL 45 4.812 -7.052 4.849 327 2HG1 VAL 45 2HG1 VAL 45 6.395 -6.341 4.534 328 3HG1 VAL 45 3HG1 VAL 45 5.989 -6.906 6.155 329 1HG2 VAL 45 1HG2 VAL 45 7.570 -8.398 2.958 330 2HG2 VAL 45 2HG2 VAL 45 5.875 -7.962 2.748 331 3HG2 VAL 45 3HG2 VAL 45 6.329 -9.651 2.975 332 H LYS 46 H LYS 46 6.443 -10.836 5.794 333 HA LYS 46 HA LYS 46 8.619 -12.654 5.623 334 1HB LYS 46 2HB LYS 46 6.910 -14.384 5.992 335 2HB LYS 46 1HB LYS 46 6.790 -13.080 7.165 336 1HG LYS 46 2HG LYS 46 5.113 -12.208 5.227 337 2HG LYS 46 1HG LYS 46 4.893 -13.955 5.117 338 1HD LYS 46 2HD LYS 46 3.291 -12.977 6.674 339 2HD LYS 46 1HD LYS 46 4.416 -14.041 7.519 340 1HE LYS 46 2HE LYS 46 5.397 -11.320 7.414 341 2HE LYS 46 1HE LYS 46 3.801 -11.405 8.159 342 1HZ LYS 46 1HZ LYS 46 4.877 -13.361 9.461 343 2HZ LYS 46 2HZ LYS 46 5.167 -11.767 9.944 344 3HZ LYS 46 3HZ LYS 46 6.331 -12.603 9.047 345 HA PRO 47 HA PRO 47 8.268 -13.790 1.385 346 1HB PRO 47 2HB PRO 47 8.496 -16.568 1.565 347 2HB PRO 47 1HB PRO 47 9.818 -15.420 1.491 348 1HG PRO 47 2HG PRO 47 8.997 -17.035 3.668 349 2HG PRO 47 1HG PRO 47 10.386 -15.957 3.563 350 1HD PRO 47 2HD PRO 47 7.877 -15.566 4.935 351 2HD PRO 47 1HD PRO 47 9.350 -14.579 4.983 352 H GLY 48 H GLY 48 6.806 -14.327 -0.172 353 1HA GLY 48 2HA GLY 48 5.003 -15.797 -0.942 354 2HA GLY 48 1HA GLY 48 4.390 -15.785 0.712 355 H VAL 49 H VAL 49 4.935 -12.902 1.001 356 HA VAL 49 HA VAL 49 2.540 -11.940 -0.387 357 HB VAL 49 HB VAL 49 4.060 -10.642 1.880 358 1HG1 VAL 49 1HG1 VAL 49 2.866 -8.880 1.123 359 2HG1 VAL 49 2HG1 VAL 49 1.568 -9.653 2.032 360 3HG1 VAL 49 3HG1 VAL 49 1.690 -9.896 0.289 361 1HG2 VAL 49 1HG2 VAL 49 3.223 -12.393 3.037 362 2HG2 VAL 49 2HG2 VAL 49 1.980 -12.734 1.833 363 3HG2 VAL 49 3HG2 VAL 49 1.745 -11.430 2.996 364 H ASN 50 H ASN 50 2.536 -9.938 -1.503 365 HA ASN 50 HA ASN 50 5.149 -9.260 -2.632 366 1HB ASN 50 2HB ASN 50 2.585 -8.115 -3.659 367 2HB ASN 50 1HB ASN 50 4.066 -8.493 -4.534 368 1HD2 ASN 50 1HD2 ASN 50 1.028 -9.647 -3.443 369 2HD2 ASN 50 2HD2 ASN 50 1.110 -11.215 -4.181 370 H LEU 51 H LEU 51 5.902 -7.157 -2.760 371 HA LEU 51 HA LEU 51 4.500 -4.959 -1.565 372 1HB LEU 51 2HB LEU 51 5.250 -5.985 0.462 373 2HB LEU 51 1HB LEU 51 6.861 -6.222 -0.186 374 HG LEU 51 HG LEU 51 6.946 -3.633 -0.307 375 1HD1 LEU 51 1HD1 LEU 51 5.522 -2.416 1.078 376 2HD1 LEU 51 2HD1 LEU 51 4.943 -3.860 1.909 377 3HD1 LEU 51 3HD1 LEU 51 4.446 -3.540 0.247 378 1HD2 LEU 51 1HD2 LEU 51 6.926 -4.532 2.509 379 2HD2 LEU 51 2HD2 LEU 51 8.176 -3.689 1.592 380 3HD2 LEU 51 3HD2 LEU 51 7.953 -5.427 1.389 381 H ASN 52 H ASN 52 5.232 -3.050 -2.392 382 HA ASN 52 HA ASN 52 7.930 -2.903 -3.486 383 1HB ASN 52 2HB ASN 52 5.620 -2.136 -5.258 384 2HB ASN 52 1HB ASN 52 7.310 -2.355 -5.697 385 1HD2 ASN 52 1HD2 ASN 52 4.509 -4.101 -4.442 386 2HD2 ASN 52 2HD2 ASN 52 4.879 -5.603 -5.214 387 H CYS 53 H CYS 53 8.761 -1.098 -2.689 388 HA CYS 53 HA CYS 53 7.102 1.070 -1.798 389 1HB CYS 53 2HB CYS 53 10.105 1.126 -1.981 390 2HB CYS 53 1HB CYS 53 9.054 1.965 -0.845 391 H CYS 54 H CYS 54 7.401 3.284 -2.480 392 HA CYS 54 HA CYS 54 8.769 3.884 -4.925 393 1HB CYS 54 2HB CYS 54 6.537 4.739 -5.969 394 2HB CYS 54 1HB CYS 54 6.985 3.044 -6.144 395 H ARG 55 H ARG 55 8.796 6.016 -5.462 396 HA ARG 55 HA ARG 55 7.993 7.803 -3.288 397 1HB ARG 55 2HB ARG 55 10.191 8.800 -4.840 398 2HB ARG 55 1HB ARG 55 10.102 8.452 -3.123 399 1HG ARG 55 2HG ARG 55 10.435 5.974 -3.996 400 2HG ARG 55 1HG ARG 55 11.208 6.834 -5.331 401 1HD ARG 55 2HD ARG 55 11.872 7.244 -2.419 402 2HD ARG 55 1HD ARG 55 12.758 6.164 -3.496 403 HE ARG 55 HE ARG 55 12.711 8.610 -4.747 404 1HH1 ARG 55 1HH1 ARG 55 13.906 7.338 -1.727 405 2HH1 ARG 55 2HH1 ARG 55 15.206 8.477 -1.615 406 1HH2 ARG 55 1HH2 ARG 55 14.423 10.111 -4.604 407 2HH2 ARG 55 2HH2 ARG 55 15.500 10.051 -3.250 408 H THR 56 H THR 56 6.443 7.166 -5.671 409 HA THR 56 HA THR 56 6.518 9.770 -7.049 410 HB THR 56 HB THR 56 4.870 7.895 -8.444 411 HG1 THR 56 1HG THR 56 5.930 6.156 -7.785 412 1HG2 THR 56 1HG2 THR 56 6.878 9.778 -9.034 413 2HG2 THR 56 2HG2 THR 56 5.801 8.936 -10.148 414 3HG2 THR 56 3HG2 THR 56 7.371 8.243 -9.745 415 H ASP 57 H ASP 57 4.602 10.914 -7.340 416 HA ASP 57 HA ASP 57 2.708 10.733 -5.270 417 1HB ASP 57 2HB ASP 57 3.376 12.711 -6.909 418 2HB ASP 57 1HB ASP 57 1.994 12.106 -7.825 419 H ARG 58 H ARG 58 1.063 9.381 -5.019 420 HA ARG 58 HA ARG 58 -0.680 7.986 -5.452 421 1HB ARG 58 2HB ARG 58 -0.561 8.965 -8.308 422 2HB ARG 58 1HB ARG 58 -1.932 8.217 -7.491 423 1HG ARG 58 2HG ARG 58 -2.048 10.168 -5.981 424 2HG ARG 58 1HG ARG 58 -0.743 10.921 -6.899 425 1HD ARG 58 2HD ARG 58 -2.175 10.727 -8.937 426 2HD ARG 58 1HD ARG 58 -3.488 10.175 -7.898 427 HE ARG 58 HE ARG 58 -2.342 12.691 -7.100 428 1HH1 ARG 58 1HH1 ARG 58 -4.724 11.137 -9.123 429 2HH1 ARG 58 2HH1 ARG 58 -5.733 12.541 -9.228 430 1HH2 ARG 58 1HH2 ARG 58 -3.669 14.538 -7.236 431 2HH2 ARG 58 2HH2 ARG 58 -5.135 14.472 -8.156 432 H CYS 59 H CYS 59 2.141 7.201 -5.838 433 HA CYS 59 HA CYS 59 2.369 5.458 -8.042 434 1HB CYS 59 2HB CYS 59 4.375 4.696 -7.032 435 2HB CYS 59 1HB CYS 59 4.249 6.409 -6.647 436 H ASN 60 H ASN 60 0.581 5.199 -5.163 437 HA ASN 60 HA ASN 60 0.151 2.335 -5.677 438 1HB ASN 60 2HB ASN 60 -0.105 1.995 -3.222 439 2HB ASN 60 1HB ASN 60 1.532 2.464 -3.693 440 1HD2 ASN 60 1HD2 ASN 60 1.350 2.870 -1.251 441 2HD2 ASN 60 2HD2 ASN 60 0.941 4.495 -0.796 442 H ASN 61 H ASN 61 -1.567 3.655 -6.948 443 HA ASN 61 HA ASN 61 -3.783 4.569 -5.324 444 1HB ASN 61 2HB ASN 61 -4.839 4.932 -7.609 445 2HB ASN 61 1HB ASN 61 -3.407 5.886 -7.256 446 1HD2 ASN 61 1HD2 ASN 61 -1.578 5.587 -8.433 447 2HD2 ASN 61 2HD2 ASN 61 -1.494 4.555 -9.827 Start of MODEL 15 1 1H LEU 1 1HT LEU 1 3.186 15.029 0.546 2 2H LEU 1 2HT LEU 1 4.769 14.367 0.494 3 3H LEU 1 3HT LEU 1 3.566 13.647 1.484 4 HA LEU 1 HA LEU 1 3.819 13.642 -1.431 5 1HB LEU 1 2HB LEU 1 4.348 11.867 0.710 6 2HB LEU 1 1HB LEU 1 2.994 11.210 -0.189 7 HG LEU 1 HG LEU 1 5.223 10.393 -0.921 8 1HD1 LEU 1 1HD1 LEU 1 3.645 11.886 -2.992 9 2HD1 LEU 1 2HD1 LEU 1 3.312 10.257 -2.400 10 3HD1 LEU 1 3HD1 LEU 1 4.792 10.581 -3.305 11 1HD2 LEU 1 1HD2 LEU 1 6.900 11.765 -1.407 12 2HD2 LEU 1 2HD2 LEU 1 5.893 13.103 -0.852 13 3HD2 LEU 1 3HD2 LEU 1 5.899 12.652 -2.558 14 H GLU 2 H GLU 2 1.992 11.668 -1.881 15 HA GLU 2 HA GLU 2 -0.593 12.352 -0.839 16 1HB GLU 2 2HB GLU 2 0.369 13.681 -3.222 17 2HB GLU 2 1HB GLU 2 -1.049 12.709 -3.589 18 1HG GLU 2 2HG GLU 2 -2.386 13.884 -2.057 19 2HG GLU 2 1HG GLU 2 -0.986 14.630 -1.287 20 H CYS 3 H CYS 3 0.209 10.003 -0.495 21 HA CYS 3 HA CYS 3 -0.150 8.254 -2.759 22 1HB CYS 3 2HB CYS 3 -0.042 7.145 -0.006 23 2HB CYS 3 1HB CYS 3 0.767 6.611 -1.474 24 H HIS 4 H HIS 4 -1.414 6.084 -1.736 25 HA HIS 4 HA HIS 4 -4.143 7.071 -1.231 26 1HB HIS 4 2HB HIS 4 -3.178 4.701 -2.837 27 2HB HIS 4 1HB HIS 4 -4.862 4.907 -2.349 28 HD1 HIS 4 1HD HIS 4 -5.927 7.304 -3.208 29 HD2 HIS 4 2HD HIS 4 -2.607 5.831 -5.226 30 HE1 HIS 4 1HE HIS 4 -5.909 8.490 -5.424 31 HE2 HIS 4 2HE HIS 4 -3.993 7.455 -6.688 32 H ASN 5 H ASN 5 -4.091 6.919 1.000 33 HA ASN 5 HA ASN 5 -3.242 4.477 2.289 34 1HB ASN 5 2HB ASN 5 -4.033 5.663 4.375 35 2HB ASN 5 1HB ASN 5 -2.767 6.500 3.471 36 1HD2 ASN 5 1HD2 ASN 5 -3.221 8.416 2.454 37 2HD2 ASN 5 2HD2 ASN 5 -4.693 9.298 2.721 38 H GLN 6 H GLN 6 -5.041 3.548 0.692 39 HA GLN 6 HA GLN 6 -7.410 3.099 2.374 40 1HB GLN 6 2HB GLN 6 -8.768 2.950 0.285 41 2HB GLN 6 1HB GLN 6 -8.145 4.561 0.615 42 1HG GLN 6 2HG GLN 6 -7.400 4.579 -1.469 43 2HG GLN 6 1HG GLN 6 -6.187 3.406 -0.956 44 1HE2 GLN 6 1HE2 GLN 6 -6.246 2.697 -3.173 45 2HE2 GLN 6 2HE2 GLN 6 -7.481 1.590 -3.687 46 H GLN 7 H GLN 7 -7.187 1.063 3.051 47 HA GLN 7 HA GLN 7 -5.887 -0.943 1.456 48 1HB GLN 7 2HB GLN 7 -6.641 -2.428 3.407 49 2HB GLN 7 1HB GLN 7 -5.468 -1.169 3.749 50 1HG GLN 7 2HG GLN 7 -8.279 -0.392 4.090 51 2HG GLN 7 1HG GLN 7 -7.694 -1.628 5.202 52 1HE2 GLN 7 1HE2 GLN 7 -8.322 1.434 5.199 53 2HE2 GLN 7 2HE2 GLN 7 -7.009 2.081 6.134 54 H SER 8 H SER 8 -6.877 -2.979 0.866 55 HA SER 8 HA SER 8 -8.471 -4.244 -0.151 56 1HB SER 8 2HB SER 8 -10.624 -2.732 1.302 57 2HB SER 8 1HB SER 8 -10.559 -4.448 0.882 58 HG SER 8 HG SER 8 -9.391 -3.081 3.016 59 H SER 9 H SER 9 -11.015 -3.709 -1.069 60 HA SER 9 HA SER 9 -10.441 -1.694 -3.113 61 1HB SER 9 2HB SER 9 -11.280 -4.212 -3.462 62 2HB SER 9 1HB SER 9 -12.852 -3.427 -3.306 63 HG SER 9 HG SER 9 -10.836 -2.505 -5.068 64 H GLN 10 H GLN 10 -11.316 -1.001 -0.388 65 HA GLN 10 HA GLN 10 -14.058 -0.190 -0.543 66 1HB GLN 10 2HB GLN 10 -11.832 0.131 1.402 67 2HB GLN 10 1HB GLN 10 -13.182 1.261 1.506 68 1HG GLN 10 2HG GLN 10 -14.033 -1.500 1.249 69 2HG GLN 10 1HG GLN 10 -13.026 -1.221 2.671 70 1HE2 GLN 10 1HE2 GLN 10 -15.972 -1.745 2.205 71 2HE2 GLN 10 2HE2 GLN 10 -16.770 -0.510 3.129 72 H ALA 11 H ALA 11 -14.327 2.300 0.247 73 HA ALA 11 HA ALA 11 -13.918 3.850 -2.041 74 1HB ALA 11 1HB ALA 11 -14.883 4.345 0.705 75 2HB ALA 11 2HB ALA 11 -15.620 4.739 -0.848 76 3HB ALA 11 3HB ALA 11 -14.333 5.755 -0.201 77 HA PRO 12 HA PRO 12 -9.463 4.543 -1.669 78 1HB PRO 12 2HB PRO 12 -10.408 6.719 -3.509 79 2HB PRO 12 1HB PRO 12 -8.953 5.715 -3.615 80 1HG PRO 12 2HG PRO 12 -11.028 5.104 -5.112 81 2HG PRO 12 1HG PRO 12 -10.156 3.817 -4.246 82 1HD PRO 12 2HD PRO 12 -12.802 5.063 -3.623 83 2HD PRO 12 1HD PRO 12 -12.270 3.375 -3.429 84 H THR 13 H THR 13 -8.089 6.399 -1.081 85 HA THR 13 HA THR 13 -9.377 8.729 0.049 86 HB THR 13 HB THR 13 -8.249 8.333 2.292 87 HG1 THR 13 1HG THR 13 -6.895 6.637 1.730 88 1HG2 THR 13 1HG2 THR 13 -10.655 8.067 2.082 89 2HG2 THR 13 2HG2 THR 13 -9.974 6.863 3.177 90 3HG2 THR 13 3HG2 THR 13 -10.433 6.406 1.536 91 H THR 14 H THR 14 -8.025 10.469 0.170 92 HA THR 14 HA THR 14 -5.179 9.996 -0.421 93 HB THR 14 HB THR 14 -5.158 11.937 -1.878 94 HG1 THR 14 1HG THR 14 -7.921 12.133 -1.270 95 1HG2 THR 14 1HG2 THR 14 -7.529 10.285 -2.691 96 2HG2 THR 14 2HG2 THR 14 -5.857 9.749 -2.858 97 3HG2 THR 14 3HG2 THR 14 -6.417 11.174 -3.731 98 H LYS 15 H LYS 15 -3.819 10.904 0.972 99 HA LYS 15 HA LYS 15 -4.431 13.412 2.267 100 1HB LYS 15 2HB LYS 15 -5.369 11.272 3.587 101 2HB LYS 15 1HB LYS 15 -3.720 11.268 4.194 102 1HG LYS 15 2HG LYS 15 -5.034 12.502 5.730 103 2HG LYS 15 1HG LYS 15 -4.049 13.666 4.841 104 1HD LYS 15 2HD LYS 15 -6.161 14.650 4.872 105 2HD LYS 15 1HD LYS 15 -6.089 13.881 3.285 106 1HE LYS 15 2HE LYS 15 -8.216 13.355 4.168 107 2HE LYS 15 1HE LYS 15 -7.243 11.894 4.339 108 1HZ LYS 15 1HZ LYS 15 -7.289 13.764 6.585 109 2HZ LYS 15 2HZ LYS 15 -7.197 12.076 6.588 110 3HZ LYS 15 3HZ LYS 15 -8.680 12.840 6.311 111 H THR 16 H THR 16 -2.600 14.196 3.584 112 HA THR 16 HA THR 16 -0.085 13.374 2.353 113 HB THR 16 HB THR 16 0.581 15.503 3.899 114 HG1 THR 16 1HG THR 16 -2.069 16.031 3.056 115 1HG2 THR 16 1HG2 THR 16 1.173 15.803 1.728 116 2HG2 THR 16 2HG2 THR 16 -0.204 16.902 1.813 117 3HG2 THR 16 3HG2 THR 16 -0.400 15.297 1.110 118 H CYS 17 H CYS 17 1.802 12.937 3.574 119 HA CYS 17 HA CYS 17 1.222 11.676 6.145 120 1HB CYS 17 2HB CYS 17 3.607 11.511 4.294 121 2HB CYS 17 1HB CYS 17 3.534 10.714 5.867 122 H SER 18 H SER 18 2.805 11.908 7.912 123 HA SER 18 HA SER 18 3.956 14.618 7.977 124 1HB SER 18 2HB SER 18 3.560 14.012 10.614 125 2HB SER 18 1HB SER 18 2.436 14.944 9.623 126 HG SER 18 HG SER 18 1.274 13.058 9.236 127 H GLY 19 H GLY 19 5.913 13.566 7.148 128 1HA GLY 19 2HA GLY 19 8.079 13.418 8.505 129 2HA GLY 19 1HA GLY 19 7.328 11.979 9.193 130 H GLU 20 H GLU 20 6.413 10.491 7.312 131 HA GLU 20 HA GLU 20 8.638 9.431 5.991 132 1HB GLU 20 2HB GLU 20 5.680 9.002 5.793 133 2HB GLU 20 1HB GLU 20 6.749 8.245 4.613 134 1HG GLU 20 2HG GLU 20 6.875 7.893 7.600 135 2HG GLU 20 1HG GLU 20 6.232 6.731 6.440 136 H THR 21 H THR 21 9.080 9.263 3.717 137 HA THR 21 HA THR 21 8.180 11.631 2.214 138 HB THR 21 HB THR 21 10.782 10.114 1.958 139 HG1 THR 21 1HG THR 21 10.790 11.339 3.820 140 1HG2 THR 21 1HG2 THR 21 9.858 12.638 0.611 141 2HG2 THR 21 2HG2 THR 21 10.223 11.094 -0.160 142 3HG2 THR 21 3HG2 THR 21 11.512 12.029 0.597 143 H ASN 22 H ASN 22 9.046 8.219 1.936 144 HA ASN 22 HA ASN 22 7.693 8.134 -0.672 145 1HB ASN 22 2HB ASN 22 8.878 5.731 -0.572 146 2HB ASN 22 1HB ASN 22 9.695 7.169 -1.181 147 1HD2 ASN 22 1HD2 ASN 22 8.984 5.841 2.024 148 2HD2 ASN 22 2HD2 ASN 22 10.615 5.929 2.613 149 H CYS 23 H CYS 23 6.399 6.208 -1.144 150 HA CYS 23 HA CYS 23 5.076 5.157 1.266 151 1HB CYS 23 2HB CYS 23 4.001 6.366 -1.213 152 2HB CYS 23 1HB CYS 23 3.154 4.934 -0.631 153 H TYR 24 H TYR 24 3.467 3.249 0.058 154 HA TYR 24 HA TYR 24 5.105 1.601 -1.656 155 1HB TYR 24 2HB TYR 24 5.109 -0.333 -0.099 156 2HB TYR 24 1HB TYR 24 6.078 1.024 0.478 157 HD1 TYR 24 1HD TYR 24 2.633 -0.389 0.781 158 HD2 TYR 24 2HD TYR 24 5.801 1.727 2.672 159 HE1 TYR 24 1HE TYR 24 1.378 -0.412 2.895 160 HE2 TYR 24 2HE TYR 24 4.555 1.709 4.793 161 HH TYR 24 HH TYR 24 2.356 -0.189 5.618 162 H LYS 25 H LYS 25 4.042 -0.608 -1.916 163 HA LYS 25 HA LYS 25 1.152 -0.604 -1.617 164 1HB LYS 25 2HB LYS 25 2.083 0.441 -3.927 165 2HB LYS 25 1HB LYS 25 2.072 -1.264 -4.355 166 1HG LYS 25 2HG LYS 25 -0.358 -1.109 -3.310 167 2HG LYS 25 1HG LYS 25 -0.175 0.567 -3.824 168 1HD LYS 25 2HD LYS 25 -0.355 0.039 -5.996 169 2HD LYS 25 1HD LYS 25 0.692 -1.371 -5.830 170 1HE LYS 25 2HE LYS 25 -1.458 -2.300 -4.552 171 2HE LYS 25 1HE LYS 25 -2.256 -1.150 -5.624 172 1HZ LYS 25 1HZ LYS 25 -0.685 -3.543 -6.323 173 2HZ LYS 25 2HZ LYS 25 -0.855 -2.283 -7.437 174 3HZ LYS 25 3HZ LYS 25 -2.225 -3.086 -6.856 175 H LYS 26 H LYS 26 0.768 -2.526 -0.748 176 HA LYS 26 HA LYS 26 2.340 -4.824 -1.708 177 1HB LYS 26 2HB LYS 26 1.493 -5.614 0.760 178 2HB LYS 26 1HB LYS 26 3.060 -4.914 0.416 179 1HG LYS 26 2HG LYS 26 2.336 -2.750 1.117 180 2HG LYS 26 1HG LYS 26 0.668 -3.306 1.259 181 1HD LYS 26 2HD LYS 26 1.019 -4.199 3.288 182 2HD LYS 26 1HD LYS 26 2.574 -4.886 2.816 183 1HE LYS 26 2HE LYS 26 3.375 -2.406 2.909 184 2HE LYS 26 1HE LYS 26 1.948 -2.181 3.920 185 1HZ LYS 26 1HZ LYS 26 3.458 -2.720 5.504 186 2HZ LYS 26 2HZ LYS 26 4.399 -3.674 4.471 187 3HZ LYS 26 3HZ LYS 26 2.957 -4.286 5.108 188 H TRP 27 H TRP 27 1.329 -6.834 -1.822 189 HA TRP 27 HA TRP 27 -1.452 -7.142 -1.238 190 1HB TRP 27 2HB TRP 27 -2.072 -7.774 -3.591 191 2HB TRP 27 1HB TRP 27 -1.822 -6.073 -3.325 192 HD1 TRP 27 HD TRP 27 -0.589 -8.950 -5.261 193 HE1 TRP 27 1HE TRP 27 1.163 -8.181 -6.961 194 HE3 TRP 27 3HE TRP 27 0.113 -4.177 -3.594 195 HZ2 TRP 27 2HZ TRP 27 2.661 -5.861 -7.533 196 HZ3 TRP 27 3HZ TRP 27 1.710 -2.765 -4.769 197 HH2 TRP 27 HH TRP 27 2.965 -3.572 -6.697 198 H TRP 28 H TRP 28 -2.228 -9.289 -1.667 199 HA TRP 28 HA TRP 28 -0.264 -11.313 -2.371 200 1HB TRP 28 2HB TRP 28 -0.607 -12.544 -0.219 201 2HB TRP 28 1HB TRP 28 0.227 -11.008 -0.021 202 HD1 TRP 28 HD TRP 28 -2.939 -12.793 0.921 203 HE1 TRP 28 1HE TRP 28 -4.243 -11.329 2.553 204 HE3 TRP 28 3HE TRP 28 -0.204 -8.494 0.573 205 HZ2 TRP 28 2HZ TRP 28 -4.158 -8.713 3.598 206 HZ3 TRP 28 3HZ TRP 28 -0.877 -6.558 1.927 207 HH2 TRP 28 HH TRP 28 -2.818 -6.664 3.408 208 H SER 29 H SER 29 -1.393 -13.577 -1.799 209 HA SER 29 HA SER 29 -4.168 -13.392 -2.778 210 1HB SER 29 2HB SER 29 -2.133 -14.434 -4.215 211 2HB SER 29 1HB SER 29 -2.640 -15.874 -3.325 212 HG SER 29 HG SER 29 -4.421 -14.209 -4.775 213 H ASP 30 H ASP 30 -5.381 -13.746 -1.012 214 HA ASP 30 HA ASP 30 -4.640 -15.939 0.793 215 1HB ASP 30 2HB ASP 30 -6.339 -14.924 2.330 216 2HB ASP 30 1HB ASP 30 -4.987 -13.855 1.948 217 H HIS 31 H HIS 31 -6.845 -16.823 1.868 218 HA HIS 31 HA HIS 31 -8.015 -18.462 -0.083 219 1HB HIS 31 2HB HIS 31 -9.619 -19.097 1.721 220 2HB HIS 31 1HB HIS 31 -7.932 -19.185 2.217 221 HD1 HIS 31 1HD HIS 31 -11.138 -17.641 3.083 222 HD2 HIS 31 2HD HIS 31 -7.123 -16.996 3.937 223 HE1 HIS 31 1HE HIS 31 -11.114 -16.119 5.085 224 HE2 HIS 31 2HE HIS 31 -8.675 -15.822 5.642 225 H ARG 32 H ARG 32 -9.086 -15.447 1.386 226 HA ARG 32 HA ARG 32 -11.702 -15.477 0.282 227 1HB ARG 32 2HB ARG 32 -10.017 -13.594 1.779 228 2HB ARG 32 1HB ARG 32 -11.142 -12.817 0.664 229 1HG ARG 32 2HG ARG 32 -12.922 -13.319 1.922 230 2HG ARG 32 1HG ARG 32 -12.336 -14.944 2.280 231 1HD ARG 32 2HD ARG 32 -12.537 -13.368 4.248 232 2HD ARG 32 1HD ARG 32 -10.982 -14.175 4.050 233 HE ARG 32 HE ARG 32 -11.114 -11.584 2.809 234 1HH1 ARG 32 1HH1 ARG 32 -10.449 -13.312 5.767 235 2HH1 ARG 32 2HH1 ARG 32 -9.442 -12.063 6.417 236 1HH2 ARG 32 1HH2 ARG 32 -9.790 -9.939 3.663 237 2HH2 ARG 32 2HH2 ARG 32 -9.068 -10.147 5.222 238 H GLY 33 H GLY 33 -8.585 -14.418 -0.890 239 1HA GLY 33 2HA GLY 33 -8.896 -14.568 -3.522 240 2HA GLY 33 1HA GLY 33 -9.776 -13.077 -3.192 241 H THR 34 H THR 34 -8.620 -11.316 -3.543 242 HA THR 34 HA THR 34 -5.727 -11.404 -2.989 243 HB THR 34 HB THR 34 -7.000 -9.663 -5.094 244 HG1 THR 34 1HG THR 34 -7.360 -11.842 -5.640 245 1HG2 THR 34 1HG2 THR 34 -4.962 -8.817 -5.235 246 2HG2 THR 34 2HG2 THR 34 -4.431 -10.384 -5.846 247 3HG2 THR 34 3HG2 THR 34 -4.314 -10.022 -4.124 248 H ILE 35 H ILE 35 -4.912 -9.851 -1.712 249 HA ILE 35 HA ILE 35 -6.698 -7.625 -0.964 250 HB ILE 35 HB ILE 35 -4.710 -9.053 0.786 251 1HG1 ILE 35 2HG1 ILE 35 -6.601 -10.441 0.652 252 2HG1 ILE 35 1HG1 ILE 35 -6.863 -9.493 2.107 253 1HG2 ILE 35 1HG2 ILE 35 -6.541 -6.745 1.422 254 2HG2 ILE 35 2HG2 ILE 35 -4.784 -6.670 1.286 255 3HG2 ILE 35 3HG2 ILE 35 -5.530 -7.606 2.582 256 1HD1 ILE 35 1HD1 ILE 35 -8.331 -9.483 -0.446 257 2HD1 ILE 35 2HD1 ILE 35 -8.143 -7.935 0.377 258 3HD1 ILE 35 3HD1 ILE 35 -8.915 -9.286 1.206 259 H ILE 36 H ILE 36 -5.741 -5.590 -0.580 260 HA ILE 36 HA ILE 36 -2.904 -5.299 -1.243 261 HB ILE 36 HB ILE 36 -3.317 -3.483 -2.803 262 1HG1 ILE 36 2HG1 ILE 36 -6.240 -4.083 -2.294 263 2HG1 ILE 36 1HG1 ILE 36 -5.388 -2.583 -1.945 264 1HG2 ILE 36 1HG2 ILE 36 -3.412 -4.934 -4.485 265 2HG2 ILE 36 2HG2 ILE 36 -5.088 -5.345 -4.125 266 3HG2 ILE 36 3HG2 ILE 36 -3.778 -6.181 -3.295 267 1HD1 ILE 36 1HD1 ILE 36 -6.441 -3.616 -4.503 268 2HD1 ILE 36 2HD1 ILE 36 -4.945 -2.685 -4.559 269 3HD1 ILE 36 3HD1 ILE 36 -6.403 -1.972 -3.868 270 H GLU 37 H GLU 37 -1.917 -3.958 0.180 271 HA GLU 37 HA GLU 37 -3.586 -1.945 1.537 272 1HB GLU 37 2HB GLU 37 -1.553 -2.368 3.311 273 2HB GLU 37 1HB GLU 37 -3.152 -3.101 3.420 274 1HG GLU 37 2HG GLU 37 -2.340 -5.093 2.313 275 2HG GLU 37 1HG GLU 37 -0.754 -4.355 2.100 276 H ARG 38 H ARG 38 -2.328 -0.090 2.402 277 HA ARG 38 HA ARG 38 0.156 0.439 0.948 278 1HB ARG 38 2HB ARG 38 -2.217 2.314 0.942 279 2HB ARG 38 1HB ARG 38 -0.640 2.647 0.238 280 1HG ARG 38 2HG ARG 38 -1.495 1.886 -1.666 281 2HG ARG 38 1HG ARG 38 -1.358 0.276 -0.956 282 1HD ARG 38 2HD ARG 38 -3.587 0.109 -0.570 283 2HD ARG 38 1HD ARG 38 -3.768 1.834 -0.249 284 HE ARG 38 HE ARG 38 -4.235 2.173 -2.469 285 1HH1 ARG 38 1HH1 ARG 38 -2.921 -1.034 -2.053 286 2HH1 ARG 38 2HH1 ARG 38 -3.284 -1.528 -3.672 287 1HH2 ARG 38 1HH2 ARG 38 -4.712 1.524 -4.599 288 2HH2 ARG 38 2HH2 ARG 38 -4.300 -0.076 -5.118 289 H GLY 39 H GLY 39 0.833 2.860 1.646 290 1HA GLY 39 2HA GLY 39 0.253 4.051 4.000 291 2HA GLY 39 1HA GLY 39 1.205 2.664 4.507 292 H CYS 40 H CYS 40 2.200 5.032 5.179 293 HA CYS 40 HA CYS 40 4.103 5.865 3.128 294 1HB CYS 40 2HB CYS 40 2.825 7.137 5.382 295 2HB CYS 40 1HB CYS 40 4.577 7.311 5.498 296 H GLY 41 H GLY 41 6.017 4.911 3.011 297 1HA GLY 41 2HA GLY 41 8.067 4.744 4.627 298 2HA GLY 41 1HA GLY 41 7.057 3.505 5.367 299 H CYS 42 H CYS 42 8.791 2.018 4.894 300 HA CYS 42 HA CYS 42 8.384 0.690 2.380 301 1HB CYS 42 2HB CYS 42 10.059 2.464 1.813 302 2HB CYS 42 1HB CYS 42 11.161 1.730 2.981 303 HA PRO 43 HA PRO 43 9.748 -1.942 5.988 304 1HB PRO 43 2HB PRO 43 7.451 -3.231 6.478 305 2HB PRO 43 1HB PRO 43 7.761 -1.612 7.130 306 1HG PRO 43 2HG PRO 43 6.129 -2.423 4.753 307 2HG PRO 43 1HG PRO 43 5.767 -1.213 6.002 308 1HD PRO 43 2HD PRO 43 6.778 -0.613 3.515 309 2HD PRO 43 1HD PRO 43 6.996 0.406 4.954 310 H LYS 44 H LYS 44 9.078 -4.476 6.174 311 HA LYS 44 HA LYS 44 9.587 -5.569 3.492 312 1HB LYS 44 2HB LYS 44 10.975 -5.933 5.846 313 2HB LYS 44 1HB LYS 44 9.979 -7.378 5.762 314 1HG LYS 44 2HG LYS 44 10.925 -8.033 3.705 315 2HG LYS 44 1HG LYS 44 11.673 -6.453 3.462 316 1HD LYS 44 2HD LYS 44 13.467 -6.998 4.685 317 2HD LYS 44 1HD LYS 44 12.483 -7.726 5.957 318 1HE LYS 44 2HE LYS 44 12.177 -9.603 4.101 319 2HE LYS 44 1HE LYS 44 13.729 -8.965 3.563 320 1HZ LYS 44 1HZ LYS 44 14.429 -10.520 5.044 321 2HZ LYS 44 2HZ LYS 44 13.058 -10.393 6.026 322 3HZ LYS 44 3HZ LYS 44 14.269 -9.215 6.109 323 H VAL 45 H VAL 45 8.949 -8.180 3.802 324 HA VAL 45 HA VAL 45 6.267 -8.418 4.877 325 HB VAL 45 HB VAL 45 5.403 -9.292 2.651 326 1HG1 VAL 45 1HG1 VAL 45 4.765 -7.072 1.878 327 2HG1 VAL 45 2HG1 VAL 45 6.046 -6.351 2.854 328 3HG1 VAL 45 3HG1 VAL 45 4.691 -7.166 3.638 329 1HG2 VAL 45 1HG2 VAL 45 6.565 -9.059 0.732 330 2HG2 VAL 45 2HG2 VAL 45 7.959 -9.045 1.812 331 3HG2 VAL 45 3HG2 VAL 45 7.281 -7.526 1.228 332 H LYS 46 H LYS 46 5.382 -10.658 4.449 333 HA LYS 46 HA LYS 46 7.389 -12.564 5.113 334 1HB LYS 46 2HB LYS 46 4.445 -12.438 5.124 335 2HB LYS 46 1HB LYS 46 5.124 -14.037 4.864 336 1HG LYS 46 2HG LYS 46 6.497 -12.759 7.023 337 2HG LYS 46 1HG LYS 46 4.757 -12.678 7.294 338 1HD LYS 46 2HD LYS 46 4.896 -14.767 8.063 339 2HD LYS 46 1HD LYS 46 5.177 -15.269 6.396 340 1HE LYS 46 2HE LYS 46 7.345 -15.711 6.774 341 2HE LYS 46 1HE LYS 46 7.565 -14.265 7.757 342 1HZ LYS 46 1HZ LYS 46 7.083 -15.371 9.658 343 2HZ LYS 46 2HZ LYS 46 7.677 -16.683 8.773 344 3HZ LYS 46 3HZ LYS 46 6.010 -16.446 8.915 345 HA PRO 47 HA PRO 47 7.802 -14.572 1.213 346 1HB PRO 47 2HB PRO 47 7.517 -17.259 1.900 347 2HB PRO 47 1HB PRO 47 8.989 -16.315 2.003 348 1HG PRO 47 2HG PRO 47 7.406 -17.352 4.109 349 2HG PRO 47 1HG PRO 47 8.940 -16.492 4.208 350 1HD PRO 47 2HD PRO 47 6.272 -15.534 4.764 351 2HD PRO 47 1HD PRO 47 7.834 -14.747 5.058 352 H GLY 48 H GLY 48 6.176 -14.131 -0.158 353 1HA GLY 48 2HA GLY 48 4.546 -15.644 -1.442 354 2HA GLY 48 1HA GLY 48 3.666 -15.656 0.085 355 H VAL 49 H VAL 49 3.921 -13.071 0.894 356 HA VAL 49 HA VAL 49 2.036 -11.739 -0.818 357 HB VAL 49 HB VAL 49 1.686 -11.562 1.534 358 1HG1 VAL 49 1HG1 VAL 49 3.550 -10.118 2.775 359 2HG1 VAL 49 2HG1 VAL 49 4.568 -10.936 1.590 360 3HG1 VAL 49 3HG1 VAL 49 3.582 -11.879 2.708 361 1HG2 VAL 49 1HG2 VAL 49 2.786 -8.846 0.958 362 2HG2 VAL 49 2HG2 VAL 49 1.265 -9.303 1.724 363 3HG2 VAL 49 3HG2 VAL 49 1.460 -9.472 -0.021 364 H ASN 50 H ASN 50 2.378 -9.985 -2.103 365 HA ASN 50 HA ASN 50 5.158 -9.311 -2.667 366 1HB ASN 50 2HB ASN 50 2.740 -8.329 -4.168 367 2HB ASN 50 1HB ASN 50 4.402 -8.435 -4.740 368 1HD2 ASN 50 1HD2 ASN 50 1.681 -9.647 -5.509 369 2HD2 ASN 50 2HD2 ASN 50 2.054 -11.321 -5.765 370 H LEU 51 H LEU 51 5.863 -7.142 -2.887 371 HA LEU 51 HA LEU 51 4.283 -4.962 -1.902 372 1HB LEU 51 2HB LEU 51 4.820 -5.834 0.231 373 2HB LEU 51 1HB LEU 51 6.474 -6.172 -0.237 374 HG LEU 51 HG LEU 51 6.718 -3.610 -0.461 375 1HD1 LEU 51 1HD1 LEU 51 4.471 -3.568 1.513 376 2HD1 LEU 51 2HD1 LEU 51 4.162 -3.379 -0.213 377 3HD1 LEU 51 3HD1 LEU 51 5.205 -2.231 0.627 378 1HD2 LEU 51 1HD2 LEU 51 6.298 -4.342 2.374 379 2HD2 LEU 51 2HD2 LEU 51 7.693 -3.607 1.584 380 3HD2 LEU 51 3HD2 LEU 51 7.408 -5.343 1.438 381 H ASN 52 H ASN 52 5.242 -2.930 -2.312 382 HA ASN 52 HA ASN 52 7.956 -2.777 -3.255 383 1HB ASN 52 2HB ASN 52 6.984 -1.643 -5.466 384 2HB ASN 52 1HB ASN 52 7.375 -3.356 -5.377 385 1HD2 ASN 52 1HD2 ASN 52 4.619 -1.294 -4.436 386 2HD2 ASN 52 2HD2 ASN 52 3.431 -2.279 -5.197 387 H CYS 53 H CYS 53 8.773 -0.900 -2.671 388 HA CYS 53 HA CYS 53 7.040 1.235 -1.766 389 1HB CYS 53 2HB CYS 53 10.053 1.266 -1.829 390 2HB CYS 53 1HB CYS 53 8.967 2.141 -0.756 391 H CYS 54 H CYS 54 7.402 3.459 -2.436 392 HA CYS 54 HA CYS 54 8.813 4.016 -4.873 393 1HB CYS 54 2HB CYS 54 6.603 4.875 -5.950 394 2HB CYS 54 1HB CYS 54 7.008 3.162 -6.071 395 H ARG 55 H ARG 55 8.701 6.198 -5.505 396 HA ARG 55 HA ARG 55 8.010 7.963 -3.277 397 1HB ARG 55 2HB ARG 55 10.122 8.957 -4.969 398 2HB ARG 55 1HB ARG 55 10.106 8.670 -3.240 399 1HG ARG 55 2HG ARG 55 10.434 6.174 -3.967 400 2HG ARG 55 1HG ARG 55 11.066 6.927 -5.437 401 1HD ARG 55 2HD ARG 55 12.971 7.474 -4.419 402 2HD ARG 55 1HD ARG 55 12.111 8.206 -3.065 403 HE ARG 55 HE ARG 55 11.976 5.435 -2.773 404 1HH1 ARG 55 1HH1 ARG 55 14.382 7.963 -2.734 405 2HH1 ARG 55 2HH1 ARG 55 15.426 7.124 -1.635 406 1HH2 ARG 55 1HH2 ARG 55 13.347 4.330 -1.327 407 2HH2 ARG 55 2HH2 ARG 55 14.838 5.061 -0.837 408 H THR 56 H THR 56 6.153 7.470 -5.308 409 HA THR 56 HA THR 56 6.144 10.074 -6.681 410 HB THR 56 HB THR 56 4.702 7.858 -8.004 411 HG1 THR 56 1HG THR 56 7.526 8.008 -8.153 412 1HG2 THR 56 1HG2 THR 56 4.829 9.203 -9.749 413 2HG2 THR 56 2HG2 THR 56 6.589 9.255 -9.640 414 3HG2 THR 56 3HG2 THR 56 5.613 10.400 -8.718 415 H ASP 57 H ASP 57 4.059 10.992 -7.055 416 HA ASP 57 HA ASP 57 2.266 10.663 -4.900 417 1HB ASP 57 2HB ASP 57 2.266 12.234 -7.442 418 2HB ASP 57 1HB ASP 57 0.753 12.075 -6.547 419 H ARG 58 H ARG 58 0.647 9.272 -4.614 420 HA ARG 58 HA ARG 58 -0.902 7.648 -4.997 421 1HB ARG 58 2HB ARG 58 -0.982 8.930 -7.736 422 2HB ARG 58 1HB ARG 58 -2.144 7.742 -7.149 423 1HG ARG 58 2HG ARG 58 -2.781 9.287 -5.346 424 2HG ARG 58 1HG ARG 58 -1.655 10.481 -5.995 425 1HD ARG 58 2HD ARG 58 -2.905 10.671 -8.015 426 2HD ARG 58 1HD ARG 58 -3.916 9.291 -7.588 427 HE ARG 58 HE ARG 58 -4.380 11.009 -5.567 428 1HH1 ARG 58 1HH1 ARG 58 -4.450 11.384 -9.036 429 2HH1 ARG 58 2HH1 ARG 58 -5.669 12.613 -9.003 430 1HH2 ARG 58 1HH2 ARG 58 -5.983 12.624 -5.522 431 2HH2 ARG 58 2HH2 ARG 58 -6.539 13.317 -7.008 432 H CYS 59 H CYS 59 1.925 7.139 -5.474 433 HA CYS 59 HA CYS 59 2.224 5.477 -7.754 434 1HB CYS 59 2HB CYS 59 4.386 4.999 -6.909 435 2HB CYS 59 1HB CYS 59 4.058 6.682 -6.506 436 H ASN 60 H ASN 60 0.774 4.984 -4.703 437 HA ASN 60 HA ASN 60 1.026 2.060 -4.944 438 1HB ASN 60 2HB ASN 60 0.295 1.985 -2.590 439 2HB ASN 60 1HB ASN 60 1.742 2.975 -2.791 440 1HD2 ASN 60 1HD2 ASN 60 1.001 3.745 -0.658 441 2HD2 ASN 60 2HD2 ASN 60 -0.123 5.067 -0.617 442 H ASN 61 H ASN 61 -0.776 3.747 -6.556 443 HA ASN 61 HA ASN 61 -3.423 3.532 -5.592 444 1HB ASN 61 2HB ASN 61 -4.073 4.077 -7.881 445 2HB ASN 61 1HB ASN 61 -2.758 5.115 -7.351 446 1HD2 ASN 61 1HD2 ASN 61 -1.169 5.375 -8.726 447 2HD2 ASN 61 2HD2 ASN 61 -0.735 4.288 -10.009 Start of MODEL 16 1 1H LEU 1 1HT LEU 1 4.163 13.573 1.575 2 2H LEU 1 2HT LEU 1 3.180 14.936 1.228 3 3H LEU 1 3HT LEU 1 4.708 14.761 0.467 4 HA LEU 1 HA LEU 1 3.216 14.156 -1.134 5 1HB LEU 1 2HB LEU 1 4.972 12.316 0.047 6 2HB LEU 1 1HB LEU 1 3.516 11.403 -0.294 7 HG LEU 1 HG LEU 1 4.540 13.110 -2.489 8 1HD1 LEU 1 1HD1 LEU 1 6.392 11.881 -3.020 9 2HD1 LEU 1 2HD1 LEU 1 5.838 10.458 -2.139 10 3HD1 LEU 1 3HD1 LEU 1 6.488 11.841 -1.260 11 1HD2 LEU 1 1HD2 LEU 1 3.506 11.577 -3.831 12 2HD2 LEU 1 2HD2 LEU 1 2.531 11.409 -2.372 13 3HD2 LEU 1 3HD2 LEU 1 3.802 10.239 -2.722 14 H GLU 2 H GLU 2 1.347 12.931 -1.841 15 HA GLU 2 HA GLU 2 -0.566 12.424 0.343 16 1HB GLU 2 2HB GLU 2 -1.092 14.462 -0.965 17 2HB GLU 2 1HB GLU 2 -1.179 13.482 -2.422 18 1HG GLU 2 2HG GLU 2 -3.021 12.190 -1.368 19 2HG GLU 2 1HG GLU 2 -2.985 13.329 -0.023 20 H CYS 3 H CYS 3 0.409 10.213 0.154 21 HA CYS 3 HA CYS 3 -0.222 8.667 -2.182 22 1HB CYS 3 2HB CYS 3 0.768 7.848 0.557 23 2HB CYS 3 1HB CYS 3 0.647 6.781 -0.838 24 H HIS 4 H HIS 4 -1.187 6.328 -1.402 25 HA HIS 4 HA HIS 4 -3.893 6.985 -0.500 26 1HB HIS 4 2HB HIS 4 -2.741 4.634 -2.004 27 2HB HIS 4 1HB HIS 4 -4.387 4.636 -1.366 28 HD1 HIS 4 1HD HIS 4 -5.815 6.873 -2.244 29 HD2 HIS 4 2HD HIS 4 -2.618 5.544 -4.541 30 HE1 HIS 4 1HE HIS 4 -6.183 7.847 -4.531 31 HE2 HIS 4 2HE HIS 4 -4.309 6.918 -5.936 32 H ASN 5 H ASN 5 -4.933 4.878 0.603 33 HA ASN 5 HA ASN 5 -3.321 3.339 2.322 34 1HB ASN 5 2HB ASN 5 -3.913 4.436 4.483 35 2HB ASN 5 1HB ASN 5 -2.839 5.407 3.472 36 1HD2 ASN 5 1HD2 ASN 5 -4.853 6.040 5.617 37 2HD2 ASN 5 2HD2 ASN 5 -5.852 7.274 4.912 38 H GLN 6 H GLN 6 -5.601 3.001 0.623 39 HA GLN 6 HA GLN 6 -7.495 1.941 2.608 40 1HB GLN 6 2HB GLN 6 -9.318 2.416 0.916 41 2HB GLN 6 1HB GLN 6 -8.633 3.819 1.723 42 1HG GLN 6 2HG GLN 6 -8.634 4.601 -0.396 43 2HG GLN 6 1HG GLN 6 -7.060 3.808 -0.409 44 1HE2 GLN 6 1HE2 GLN 6 -7.069 3.458 -2.606 45 2HE2 GLN 6 2HE2 GLN 6 -8.117 2.303 -3.369 46 H GLN 7 H GLN 7 -7.624 -0.189 2.470 47 HA GLN 7 HA GLN 7 -6.612 -1.606 0.188 48 1HB GLN 7 2HB GLN 7 -6.942 -3.572 1.520 49 2HB GLN 7 1HB GLN 7 -6.277 -2.328 2.560 50 1HG GLN 7 2HG GLN 7 -8.601 -1.856 3.341 51 2HG GLN 7 1HG GLN 7 -9.129 -3.270 2.430 52 1HE2 GLN 7 1HE2 GLN 7 -9.375 -2.880 5.235 53 2HE2 GLN 7 2HE2 GLN 7 -8.442 -4.120 6.017 54 H SER 8 H SER 8 -8.452 -3.852 0.330 55 HA SER 8 HA SER 8 -10.199 -3.287 -1.704 56 1HB SER 8 2HB SER 8 -11.469 -5.289 -1.023 57 2HB SER 8 1HB SER 8 -9.724 -5.575 -0.984 58 HG SER 8 HG SER 8 -11.559 -5.552 1.068 59 H SER 9 H SER 9 -11.760 -1.859 -1.839 60 HA SER 9 HA SER 9 -14.123 -1.727 -0.590 61 1HB SER 9 2HB SER 9 -12.031 -0.525 1.150 62 2HB SER 9 1HB SER 9 -13.535 0.381 0.987 63 HG SER 9 HG SER 9 -13.965 -0.971 2.614 64 H GLN 10 H GLN 10 -15.098 -0.676 -2.181 65 HA GLN 10 HA GLN 10 -13.995 1.041 -4.009 66 1HB GLN 10 2HB GLN 10 -16.765 0.536 -3.071 67 2HB GLN 10 1HB GLN 10 -16.494 1.958 -4.072 68 1HG GLN 10 2HG GLN 10 -15.231 -0.455 -5.103 69 2HG GLN 10 1HG GLN 10 -16.987 -0.569 -4.978 70 1HE2 GLN 10 1HE2 GLN 10 -18.271 0.697 -6.274 71 2HE2 GLN 10 2HE2 GLN 10 -17.648 1.614 -7.610 72 H ALA 11 H ALA 11 -15.063 3.386 -4.301 73 HA ALA 11 HA ALA 11 -14.879 5.579 -3.719 74 1HB ALA 11 1HB ALA 11 -16.644 5.616 -2.301 75 2HB ALA 11 2HB ALA 11 -15.383 5.890 -1.100 76 3HB ALA 11 3HB ALA 11 -16.037 4.269 -1.338 77 HA PRO 12 HA PRO 12 -10.480 4.530 -2.291 78 1HB PRO 12 2HB PRO 12 -10.228 6.621 -4.425 79 2HB PRO 12 1HB PRO 12 -9.161 5.256 -4.057 80 1HG PRO 12 2HG PRO 12 -10.824 5.039 -6.076 81 2HG PRO 12 1HG PRO 12 -10.665 3.689 -4.926 82 1HD PRO 12 2HD PRO 12 -12.846 5.734 -5.152 83 2HD PRO 12 1HD PRO 12 -12.965 3.991 -4.819 84 H THR 13 H THR 13 -8.802 6.164 -1.589 85 HA THR 13 HA THR 13 -9.848 8.773 -0.845 86 HB THR 13 HB THR 13 -8.613 7.228 1.382 87 HG1 THR 13 1HG THR 13 -10.516 6.245 1.895 88 1HG2 THR 13 1HG2 THR 13 -10.847 8.553 2.297 89 2HG2 THR 13 2HG2 THR 13 -10.190 9.633 1.067 90 3HG2 THR 13 3HG2 THR 13 -9.177 9.107 2.412 91 H THR 14 H THR 14 -8.073 9.989 0.457 92 HA THR 14 HA THR 14 -5.392 9.196 -0.420 93 HB THR 14 HB THR 14 -4.905 11.421 -1.271 94 HG1 THR 14 1HG THR 14 -6.568 12.962 -1.411 95 1HG2 THR 14 1HG2 THR 14 -6.498 11.570 -3.183 96 2HG2 THR 14 2HG2 THR 14 -7.402 10.243 -2.452 97 3HG2 THR 14 3HG2 THR 14 -5.736 9.993 -2.971 98 H LYS 15 H LYS 15 -3.789 9.689 0.989 99 HA LYS 15 HA LYS 15 -4.372 11.503 3.214 100 1HB LYS 15 2HB LYS 15 -4.752 8.949 3.702 101 2HB LYS 15 1HB LYS 15 -2.997 8.910 3.802 102 1HG LYS 15 2HG LYS 15 -3.306 10.901 5.441 103 2HG LYS 15 1HG LYS 15 -4.962 10.302 5.563 104 1HD LYS 15 2HD LYS 15 -4.124 8.103 6.222 105 2HD LYS 15 1HD LYS 15 -2.465 8.687 6.079 106 1HE LYS 15 2HE LYS 15 -4.508 9.897 7.932 107 2HE LYS 15 1HE LYS 15 -3.384 8.628 8.415 108 1HZ LYS 15 1HZ LYS 15 -2.680 10.964 8.929 109 2HZ LYS 15 2HZ LYS 15 -2.491 11.208 7.266 110 3HZ LYS 15 3HZ LYS 15 -1.552 10.047 8.060 111 H THR 16 H THR 16 -2.493 12.316 4.289 112 HA THR 16 HA THR 16 -0.052 12.095 2.653 113 HB THR 16 HB THR 16 -1.087 14.322 2.561 114 HG1 THR 16 1HG THR 16 1.296 14.315 4.098 115 1HG2 THR 16 1HG2 THR 16 -0.556 14.506 5.514 116 2HG2 THR 16 2HG2 THR 16 -2.151 14.318 4.786 117 3HG2 THR 16 3HG2 THR 16 -1.202 15.768 4.467 118 H CYS 17 H CYS 17 1.985 12.224 3.751 119 HA CYS 17 HA CYS 17 1.838 11.157 6.487 120 1HB CYS 17 2HB CYS 17 4.229 11.031 4.648 121 2HB CYS 17 1HB CYS 17 3.922 10.075 6.101 122 H SER 18 H SER 18 3.511 11.814 8.007 123 HA SER 18 HA SER 18 4.428 14.571 7.521 124 1HB SER 18 2HB SER 18 4.361 14.372 10.247 125 2HB SER 18 1HB SER 18 3.063 15.047 9.263 126 HG SER 18 HG SER 18 3.284 12.365 10.168 127 H GLY 19 H GLY 19 6.527 14.324 6.983 128 1HA GLY 19 2HA GLY 19 8.763 14.279 7.845 129 2HA GLY 19 1HA GLY 19 8.253 13.042 8.992 130 H GLU 20 H GLU 20 6.789 11.586 6.842 131 HA GLU 20 HA GLU 20 8.833 9.799 6.112 132 1HB GLU 20 2HB GLU 20 5.968 10.159 5.294 133 2HB GLU 20 1HB GLU 20 6.983 8.979 4.469 134 1HG GLU 20 2HG GLU 20 6.870 8.948 7.441 135 2HG GLU 20 1HG GLU 20 5.509 8.305 6.524 136 H THR 21 H THR 21 8.746 9.105 3.572 137 HA THR 21 HA THR 21 8.979 11.429 1.852 138 HB THR 21 HB THR 21 11.357 9.619 1.929 139 HG1 THR 21 1HG THR 21 12.312 10.999 3.449 140 1HG2 THR 21 1HG2 THR 21 10.895 12.475 1.140 141 2HG2 THR 21 2HG2 THR 21 11.425 11.129 0.131 142 3HG2 THR 21 3HG2 THR 21 12.505 11.790 1.359 143 H ASN 22 H ASN 22 9.504 7.941 2.160 144 HA ASN 22 HA ASN 22 8.623 7.621 -0.630 145 1HB ASN 22 2HB ASN 22 9.796 5.343 0.901 146 2HB ASN 22 1HB ASN 22 9.914 5.722 -0.819 147 1HD2 ASN 22 1HD2 ASN 22 11.980 5.016 1.118 148 2HD2 ASN 22 2HD2 ASN 22 13.128 6.317 1.084 149 H CYS 23 H CYS 23 7.059 6.068 -1.160 150 HA CYS 23 HA CYS 23 5.373 5.189 1.081 151 1HB CYS 23 2HB CYS 23 4.715 6.315 -1.616 152 2HB CYS 23 1HB CYS 23 3.590 5.203 -0.842 153 H TYR 24 H TYR 24 3.793 3.348 0.037 154 HA TYR 24 HA TYR 24 5.164 1.610 -1.791 155 1HB TYR 24 2HB TYR 24 5.476 -0.266 -0.248 156 2HB TYR 24 1HB TYR 24 6.428 1.134 0.246 157 HD1 TYR 24 1HD TYR 24 5.619 2.535 2.170 158 HD2 TYR 24 2HD TYR 24 3.847 -1.204 1.182 159 HE1 TYR 24 1HE TYR 24 4.615 2.426 4.411 160 HE2 TYR 24 2HE TYR 24 2.838 -1.323 3.422 161 HH TYR 24 HH TYR 24 2.147 0.474 5.227 162 H LYS 25 H LYS 25 4.074 -0.671 -1.652 163 HA LYS 25 HA LYS 25 1.286 -0.674 -0.943 164 1HB LYS 25 2HB LYS 25 1.633 0.489 -3.296 165 2HB LYS 25 1HB LYS 25 1.791 -1.176 -3.847 166 1HG LYS 25 2HG LYS 25 -0.477 -1.140 -2.218 167 2HG LYS 25 1HG LYS 25 -0.574 0.318 -3.206 168 1HD LYS 25 2HD LYS 25 0.013 -2.395 -4.368 169 2HD LYS 25 1HD LYS 25 -1.630 -1.779 -4.172 170 1HE LYS 25 2HE LYS 25 -1.340 -0.920 -6.221 171 2HE LYS 25 1HE LYS 25 -0.390 0.318 -5.400 172 1HZ LYS 25 1HZ LYS 25 1.197 -0.325 -6.823 173 2HZ LYS 25 2HZ LYS 25 0.476 -1.821 -7.141 174 3HZ LYS 25 3HZ LYS 25 1.428 -1.619 -5.758 175 H LYS 26 H LYS 26 0.797 -2.693 -0.343 176 HA LYS 26 HA LYS 26 2.424 -4.879 -1.462 177 1HB LYS 26 2HB LYS 26 2.014 -6.043 0.744 178 2HB LYS 26 1HB LYS 26 3.107 -4.679 0.772 179 1HG LYS 26 2HG LYS 26 0.593 -3.601 1.306 180 2HG LYS 26 1HG LYS 26 0.676 -5.099 2.232 181 1HD LYS 26 2HD LYS 26 3.024 -3.272 2.292 182 2HD LYS 26 1HD LYS 26 1.584 -2.815 3.204 183 1HE LYS 26 2HE LYS 26 3.348 -4.155 4.448 184 2HE LYS 26 1HE LYS 26 1.689 -4.744 4.545 185 1HZ LYS 26 1HZ LYS 26 3.778 -5.791 2.712 186 2HZ LYS 26 2HZ LYS 26 2.195 -6.370 2.844 187 3HZ LYS 26 3HZ LYS 26 3.266 -6.537 4.142 188 H TRP 27 H TRP 27 1.454 -6.975 -1.429 189 HA TRP 27 HA TRP 27 -1.367 -7.228 -1.062 190 1HB TRP 27 2HB TRP 27 -1.806 -7.969 -3.434 191 2HB TRP 27 1HB TRP 27 -1.595 -6.257 -3.201 192 HD1 TRP 27 HD TRP 27 -0.250 -9.152 -5.007 193 HE1 TRP 27 1HE TRP 27 1.644 -8.425 -6.569 194 HE3 TRP 27 3HE TRP 27 0.402 -4.376 -3.328 195 HZ2 TRP 27 2HZ TRP 27 3.224 -6.135 -7.041 196 HZ3 TRP 27 3HZ TRP 27 2.122 -2.986 -4.387 197 HH2 TRP 27 HH TRP 27 3.504 -3.843 -6.207 198 H TRP 28 H TRP 28 -2.139 -9.339 -1.302 199 HA TRP 28 HA TRP 28 -0.255 -11.468 -1.883 200 1HB TRP 28 2HB TRP 28 -0.548 -12.518 0.352 201 2HB TRP 28 1HB TRP 28 0.265 -10.959 0.451 202 HD1 TRP 28 HD TRP 28 -2.897 -12.719 1.463 203 HE1 TRP 28 1HE TRP 28 -4.221 -11.187 3.007 204 HE3 TRP 28 3HE TRP 28 -0.172 -8.424 0.951 205 HZ2 TRP 28 2HZ TRP 28 -4.158 -8.531 3.940 206 HZ3 TRP 28 3HZ TRP 28 -0.870 -6.432 2.213 207 HH2 TRP 28 HH TRP 28 -2.826 -6.487 3.677 208 H SER 29 H SER 29 -1.590 -13.612 -0.877 209 HA SER 29 HA SER 29 -4.409 -13.362 -1.548 210 1HB SER 29 2HB SER 29 -2.565 -15.239 -3.050 211 2HB SER 29 1HB SER 29 -4.326 -15.196 -3.197 212 HG SER 29 HG SER 29 -2.648 -13.830 -4.609 213 H ASP 30 H ASP 30 -5.702 -14.993 -0.660 214 HA ASP 30 HA ASP 30 -4.498 -17.300 0.561 215 1HB ASP 30 2HB ASP 30 -3.918 -15.664 2.254 216 2HB ASP 30 1HB ASP 30 -5.591 -15.108 2.338 217 H HIS 31 H HIS 31 -7.335 -15.756 1.961 218 HA HIS 31 HA HIS 31 -8.971 -17.887 0.758 219 1HB HIS 31 2HB HIS 31 -10.436 -17.680 2.709 220 2HB HIS 31 1HB HIS 31 -8.781 -18.019 3.202 221 HD1 HIS 31 1HD HIS 31 -7.396 -15.802 3.996 222 HD2 HIS 31 2HD HIS 31 -11.542 -15.527 3.936 223 HE1 HIS 31 1HE HIS 31 -7.960 -13.821 5.439 224 HE2 HIS 31 2HE HIS 31 -10.478 -13.727 5.458 225 H ARG 32 H ARG 32 -8.822 -14.447 1.471 226 HA ARG 32 HA ARG 32 -11.402 -13.990 0.198 227 1HB ARG 32 2HB ARG 32 -9.644 -12.501 2.008 228 2HB ARG 32 1HB ARG 32 -10.343 -11.502 0.734 229 1HG ARG 32 2HG ARG 32 -12.577 -12.197 1.390 230 2HG ARG 32 1HG ARG 32 -11.898 -13.250 2.633 231 1HD ARG 32 2HD ARG 32 -10.820 -10.625 2.950 232 2HD ARG 32 1HD ARG 32 -12.576 -10.512 2.831 233 HE ARG 32 HE ARG 32 -11.049 -11.660 4.980 234 1HH1 ARG 32 1HH1 ARG 32 -14.144 -11.620 3.367 235 2HH1 ARG 32 2HH1 ARG 32 -15.015 -12.181 4.754 236 1HH2 ARG 32 1HH2 ARG 32 -12.193 -12.401 6.806 237 2HH2 ARG 32 2HH2 ARG 32 -13.909 -12.625 6.706 238 H GLY 33 H GLY 33 -9.137 -14.999 -1.369 239 1HA GLY 33 2HA GLY 33 -8.536 -14.686 -3.585 240 2HA GLY 33 1HA GLY 33 -9.341 -13.117 -3.547 241 H THR 34 H THR 34 -8.038 -11.446 -3.792 242 HA THR 34 HA THR 34 -5.298 -11.634 -2.739 243 HB THR 34 HB THR 34 -6.136 -10.287 -5.311 244 HG1 THR 34 1HG THR 34 -5.894 -12.195 -6.111 245 1HG2 THR 34 1HG2 THR 34 -3.310 -10.894 -4.835 246 2HG2 THR 34 2HG2 THR 34 -3.984 -9.613 -3.828 247 3HG2 THR 34 3HG2 THR 34 -4.066 -9.488 -5.585 248 H ILE 35 H ILE 35 -4.962 -10.181 -1.199 249 HA ILE 35 HA ILE 35 -6.622 -7.763 -1.124 250 HB ILE 35 HB ILE 35 -4.783 -8.781 1.041 251 1HG1 ILE 35 2HG1 ILE 35 -7.762 -9.236 0.752 252 2HG1 ILE 35 1HG1 ILE 35 -6.525 -10.458 0.471 253 1HG2 ILE 35 1HG2 ILE 35 -5.215 -6.656 1.699 254 2HG2 ILE 35 2HG2 ILE 35 -6.681 -7.413 2.324 255 3HG2 ILE 35 3HG2 ILE 35 -6.718 -6.559 0.781 256 1HD1 ILE 35 1HD1 ILE 35 -5.924 -9.564 2.989 257 2HD1 ILE 35 2HD1 ILE 35 -6.844 -11.017 2.598 258 3HD1 ILE 35 3HD1 ILE 35 -7.687 -9.510 2.960 259 H ILE 36 H ILE 36 -5.681 -5.696 -0.755 260 HA ILE 36 HA ILE 36 -2.792 -5.471 -1.175 261 HB ILE 36 HB ILE 36 -2.980 -3.869 -2.943 262 1HG1 ILE 36 2HG1 ILE 36 -5.977 -4.138 -2.610 263 2HG1 ILE 36 1HG1 ILE 36 -5.008 -2.711 -2.257 264 1HG2 ILE 36 1HG2 ILE 36 -3.270 -5.376 -4.578 265 2HG2 ILE 36 2HG2 ILE 36 -4.912 -5.766 -4.066 266 3HG2 ILE 36 3HG2 ILE 36 -3.536 -6.510 -3.254 267 1HD1 ILE 36 1HD1 ILE 36 -5.581 -2.034 -4.294 268 2HD1 ILE 36 2HD1 ILE 36 -6.112 -3.645 -4.776 269 3HD1 ILE 36 3HD1 ILE 36 -4.406 -3.211 -4.881 270 H GLU 37 H GLU 37 -1.892 -3.937 0.123 271 HA GLU 37 HA GLU 37 -3.670 -1.855 1.197 272 1HB GLU 37 2HB GLU 37 -1.835 -2.183 3.196 273 2HB GLU 37 1HB GLU 37 -3.461 -2.865 3.190 274 1HG GLU 37 2HG GLU 37 -2.700 -4.965 2.553 275 2HG GLU 37 1HG GLU 37 -1.149 -4.344 2.000 276 H ARG 38 H ARG 38 -2.432 0.013 2.129 277 HA ARG 38 HA ARG 38 0.070 0.479 0.646 278 1HB ARG 38 2HB ARG 38 -2.293 2.329 0.955 279 2HB ARG 38 1HB ARG 38 -0.708 2.882 0.435 280 1HG ARG 38 2HG ARG 38 -1.651 2.555 -1.596 281 2HG ARG 38 1HG ARG 38 -1.021 0.928 -1.329 282 1HD ARG 38 2HD ARG 38 -3.069 0.043 -1.256 283 2HD ARG 38 1HD ARG 38 -3.658 1.300 -0.169 284 HE ARG 38 HE ARG 38 -3.554 2.571 -2.543 285 1HH1 ARG 38 1HH1 ARG 38 -4.969 -0.463 -1.552 286 2HH1 ARG 38 2HH1 ARG 38 -6.240 -0.396 -2.725 287 1HH2 ARG 38 1HH2 ARG 38 -5.226 2.659 -4.086 288 2HH2 ARG 38 2HH2 ARG 38 -6.386 1.375 -4.163 289 H GLY 39 H GLY 39 1.060 2.676 1.529 290 1HA GLY 39 2HA GLY 39 0.664 3.506 4.152 291 2HA GLY 39 1HA GLY 39 1.798 2.166 4.218 292 H CYS 40 H CYS 40 3.060 4.065 5.169 293 HA CYS 40 HA CYS 40 4.472 5.457 2.988 294 1HB CYS 40 2HB CYS 40 3.129 6.591 5.159 295 2HB CYS 40 1HB CYS 40 4.837 6.682 5.597 296 H GLY 41 H GLY 41 6.296 4.348 2.643 297 1HA GLY 41 2HA GLY 41 8.562 4.416 4.011 298 2HA GLY 41 1HA GLY 41 7.718 3.143 4.891 299 H CYS 42 H CYS 42 9.525 1.792 4.229 300 HA CYS 42 HA CYS 42 8.888 0.328 1.842 301 1HB CYS 42 2HB CYS 42 10.305 2.195 0.976 302 2HB CYS 42 1HB CYS 42 11.617 1.629 2.012 303 HA PRO 43 HA PRO 43 11.054 -1.949 5.337 304 1HB PRO 43 2HB PRO 43 8.967 -3.183 6.476 305 2HB PRO 43 1HB PRO 43 9.391 -1.513 6.888 306 1HG PRO 43 2HG PRO 43 7.256 -2.531 5.050 307 2HG PRO 43 1HG PRO 43 7.177 -1.216 6.243 308 1HD PRO 43 2HD PRO 43 7.552 -0.834 3.546 309 2HD PRO 43 1HD PRO 43 8.092 0.306 4.800 310 H LYS 44 H LYS 44 10.382 -4.463 5.922 311 HA LYS 44 HA LYS 44 10.551 -5.809 3.334 312 1HB LYS 44 2HB LYS 44 11.535 -6.333 6.049 313 2HB LYS 44 1HB LYS 44 10.903 -7.759 5.238 314 1HG LYS 44 2HG LYS 44 13.040 -7.887 4.519 315 2HG LYS 44 1HG LYS 44 12.416 -6.818 3.262 316 1HD LYS 44 2HD LYS 44 14.468 -5.887 4.055 317 2HD LYS 44 1HD LYS 44 13.152 -4.878 4.660 318 1HE LYS 44 2HE LYS 44 14.203 -5.101 6.635 319 2HE LYS 44 1HE LYS 44 13.397 -6.668 6.679 320 1HZ LYS 44 1HZ LYS 44 15.314 -7.765 6.316 321 2HZ LYS 44 2HZ LYS 44 16.013 -6.371 6.967 322 3HZ LYS 44 3HZ LYS 44 15.948 -6.579 5.290 323 H VAL 45 H VAL 45 9.645 -8.294 3.802 324 HA VAL 45 HA VAL 45 6.989 -8.195 4.962 325 HB VAL 45 HB VAL 45 5.928 -9.056 2.855 326 1HG1 VAL 45 1HG1 VAL 45 5.310 -6.953 2.191 327 2HG1 VAL 45 2HG1 VAL 45 6.957 -6.325 2.270 328 3HG1 VAL 45 3HG1 VAL 45 6.040 -6.586 3.754 329 1HG2 VAL 45 1HG2 VAL 45 7.458 -9.729 1.334 330 2HG2 VAL 45 2HG2 VAL 45 8.666 -8.561 1.870 331 3HG2 VAL 45 3HG2 VAL 45 7.353 -8.049 0.809 332 H LYS 46 H LYS 46 5.866 -10.382 4.623 333 HA LYS 46 HA LYS 46 7.684 -12.418 5.412 334 1HB LYS 46 2HB LYS 46 4.793 -12.931 4.850 335 2HB LYS 46 1HB LYS 46 5.820 -13.623 6.092 336 1HG LYS 46 2HG LYS 46 5.850 -11.092 6.915 337 2HG LYS 46 1HG LYS 46 4.287 -11.102 6.093 338 1HD LYS 46 2HD LYS 46 3.583 -13.014 7.434 339 2HD LYS 46 1HD LYS 46 5.156 -13.046 8.234 340 1HE LYS 46 2HE LYS 46 4.750 -11.033 9.358 341 2HE LYS 46 1HE LYS 46 3.425 -10.595 8.281 342 1HZ LYS 46 1HZ LYS 46 2.433 -12.810 9.280 343 2HZ LYS 46 2HZ LYS 46 2.242 -11.320 10.057 344 3HZ LYS 46 3HZ LYS 46 3.436 -12.400 10.578 345 HA PRO 47 HA PRO 47 7.864 -14.659 1.607 346 1HB PRO 47 2HB PRO 47 7.483 -17.270 2.427 347 2HB PRO 47 1HB PRO 47 8.979 -16.372 2.579 348 1HG PRO 47 2HG PRO 47 7.212 -17.252 4.624 349 2HG PRO 47 1HG PRO 47 8.794 -16.496 4.786 350 1HD PRO 47 2HD PRO 47 6.165 -15.329 5.127 351 2HD PRO 47 1HD PRO 47 7.758 -14.648 5.513 352 H GLY 48 H GLY 48 6.167 -14.107 0.311 353 1HA GLY 48 2HA GLY 48 4.473 -15.638 -0.900 354 2HA GLY 48 1HA GLY 48 3.630 -15.559 0.645 355 H VAL 49 H VAL 49 3.943 -12.968 1.354 356 HA VAL 49 HA VAL 49 2.086 -11.648 -0.399 357 HB VAL 49 HB VAL 49 1.748 -11.397 1.951 358 1HG1 VAL 49 1HG1 VAL 49 3.770 -11.777 2.985 359 2HG1 VAL 49 2HG1 VAL 49 3.524 -10.053 3.262 360 3HG1 VAL 49 3HG1 VAL 49 4.622 -10.594 1.992 361 1HG2 VAL 49 1HG2 VAL 49 1.455 -9.384 0.370 362 2HG2 VAL 49 2HG2 VAL 49 2.879 -8.730 1.179 363 3HG2 VAL 49 3HG2 VAL 49 1.425 -9.094 2.108 364 H ASN 50 H ASN 50 2.502 -10.095 -1.857 365 HA ASN 50 HA ASN 50 5.275 -9.442 -2.410 366 1HB ASN 50 2HB ASN 50 2.852 -8.492 -3.941 367 2HB ASN 50 1HB ASN 50 4.519 -8.615 -4.512 368 1HD2 ASN 50 1HD2 ASN 50 1.596 -10.339 -3.779 369 2HD2 ASN 50 2HD2 ASN 50 2.041 -11.829 -4.550 370 H LEU 51 H LEU 51 5.941 -7.232 -2.864 371 HA LEU 51 HA LEU 51 4.390 -5.062 -1.770 372 1HB LEU 51 2HB LEU 51 5.324 -5.875 0.273 373 2HB LEU 51 1HB LEU 51 6.910 -6.057 -0.449 374 HG LEU 51 HG LEU 51 6.823 -3.484 -0.751 375 1HD1 LEU 51 1HD1 LEU 51 4.856 -3.767 1.507 376 2HD1 LEU 51 2HD1 LEU 51 4.395 -3.377 -0.150 377 3HD1 LEU 51 3HD1 LEU 51 5.437 -2.279 0.757 378 1HD2 LEU 51 1HD2 LEU 51 8.081 -5.034 0.969 379 2HD2 LEU 51 2HD2 LEU 51 6.994 -4.250 2.116 380 3HD2 LEU 51 3HD2 LEU 51 8.092 -3.278 1.136 381 H ASN 52 H ASN 52 5.227 -3.000 -2.367 382 HA ASN 52 HA ASN 52 7.714 -2.851 -3.819 383 1HB ASN 52 2HB ASN 52 6.953 -2.550 -5.956 384 2HB ASN 52 1HB ASN 52 5.704 -3.642 -5.371 385 1HD2 ASN 52 1HD2 ASN 52 3.925 -2.263 -4.111 386 2HD2 ASN 52 2HD2 ASN 52 3.289 -0.958 -5.048 387 H CYS 53 H CYS 53 8.647 -0.986 -3.339 388 HA CYS 53 HA CYS 53 7.078 1.144 -2.150 389 1HB CYS 53 2HB CYS 53 10.055 1.207 -2.539 390 2HB CYS 53 1HB CYS 53 9.081 1.944 -1.273 391 H CYS 54 H CYS 54 7.299 3.346 -2.821 392 HA CYS 54 HA CYS 54 8.532 4.014 -5.325 393 1HB CYS 54 2HB CYS 54 6.261 4.843 -6.257 394 2HB CYS 54 1HB CYS 54 6.669 3.135 -6.424 395 H ARG 55 H ARG 55 8.360 6.193 -5.870 396 HA ARG 55 HA ARG 55 7.751 7.894 -3.567 397 1HB ARG 55 2HB ARG 55 9.716 9.021 -5.317 398 2HB ARG 55 1HB ARG 55 9.847 8.602 -3.619 399 1HG ARG 55 2HG ARG 55 10.525 6.366 -4.177 400 2HG ARG 55 1HG ARG 55 10.267 6.686 -5.895 401 1HD ARG 55 2HD ARG 55 12.195 8.267 -4.211 402 2HD ARG 55 1HD ARG 55 12.660 6.795 -5.068 403 HE ARG 55 HE ARG 55 11.432 8.424 -6.923 404 1HH1 ARG 55 1HH1 ARG 55 14.248 8.572 -4.868 405 2HH1 ARG 55 2HH1 ARG 55 15.141 9.587 -5.951 406 1HH2 ARG 55 1HH2 ARG 55 12.605 9.760 -8.351 407 2HH2 ARG 55 2HH2 ARG 55 14.208 10.262 -7.927 408 H THR 56 H THR 56 5.824 7.366 -5.557 409 HA THR 56 HA THR 56 5.679 9.991 -6.886 410 HB THR 56 HB THR 56 4.088 7.890 -8.150 411 HG1 THR 56 1HG THR 56 6.914 7.679 -8.247 412 1HG2 THR 56 1HG2 THR 56 6.258 9.288 -9.582 413 2HG2 THR 56 2HG2 THR 56 4.929 10.270 -8.966 414 3HG2 THR 56 3HG2 THR 56 4.601 8.942 -10.078 415 H ASP 57 H ASP 57 3.647 10.989 -6.980 416 HA ASP 57 HA ASP 57 2.002 10.659 -4.748 417 1HB ASP 57 2HB ASP 57 1.168 11.966 -7.339 418 2HB ASP 57 1HB ASP 57 0.610 12.338 -5.708 419 H ARG 58 H ARG 58 0.477 9.218 -4.307 420 HA ARG 58 HA ARG 58 -1.094 7.590 -4.528 421 1HB ARG 58 2HB ARG 58 -1.530 8.935 -7.202 422 2HB ARG 58 1HB ARG 58 -2.602 7.722 -6.501 423 1HG ARG 58 2HG ARG 58 -3.014 9.219 -4.595 424 2HG ARG 58 1HG ARG 58 -1.984 10.438 -5.350 425 1HD ARG 58 2HD ARG 58 -3.643 9.964 -7.390 426 2HD ARG 58 1HD ARG 58 -4.721 9.554 -6.057 427 HE ARG 58 HE ARG 58 -4.946 11.782 -5.680 428 1HH1 ARG 58 1HH1 ARG 58 -1.859 11.266 -7.226 429 2HH1 ARG 58 2HH1 ARG 58 -1.468 12.952 -7.287 430 1HH2 ARG 58 1HH2 ARG 58 -4.431 13.999 -5.760 431 2HH2 ARG 58 2HH2 ARG 58 -2.927 14.503 -6.454 432 H CYS 59 H CYS 59 1.676 7.147 -5.450 433 HA CYS 59 HA CYS 59 1.703 5.554 -7.772 434 1HB CYS 59 2HB CYS 59 3.910 4.918 -7.099 435 2HB CYS 59 1HB CYS 59 3.695 6.615 -6.682 436 H ASN 60 H ASN 60 0.833 4.902 -4.474 437 HA ASN 60 HA ASN 60 0.834 2.013 -4.936 438 1HB ASN 60 2HB ASN 60 0.260 1.903 -2.492 439 2HB ASN 60 1HB ASN 60 1.813 2.667 -2.844 440 1HD2 ASN 60 1HD2 ASN 60 1.316 3.379 -0.568 441 2HD2 ASN 60 2HD2 ASN 60 0.474 4.887 -0.394 442 H ASN 61 H ASN 61 -1.081 3.821 -6.258 443 HA ASN 61 HA ASN 61 -3.608 3.681 -5.035 444 1HB ASN 61 2HB ASN 61 -4.484 4.274 -7.220 445 2HB ASN 61 1HB ASN 61 -3.038 5.216 -6.889 446 1HD2 ASN 61 1HD2 ASN 61 -1.142 4.766 -8.018 447 2HD2 ASN 61 2HD2 ASN 61 -1.156 3.860 -9.500 Start of MODEL 17 1 1H LEU 1 1HT LEU 1 4.415 13.409 1.213 2 2H LEU 1 2HT LEU 1 3.714 14.775 0.445 3 3H LEU 1 3HT LEU 1 5.282 14.244 -0.007 4 HA LEU 1 HA LEU 1 3.632 13.631 -1.615 5 1HB LEU 1 2HB LEU 1 5.663 12.152 -0.544 6 2HB LEU 1 1HB LEU 1 4.319 11.034 -0.411 7 HG LEU 1 HG LEU 1 4.640 12.351 -3.038 8 1HD1 LEU 1 1HD1 LEU 1 6.481 11.070 -3.756 9 2HD1 LEU 1 2HD1 LEU 1 6.496 10.115 -2.274 10 3HD1 LEU 1 3HD1 LEU 1 6.980 11.810 -2.235 11 1HD2 LEU 1 1HD2 LEU 1 4.052 10.113 -3.822 12 2HD2 LEU 1 2HD2 LEU 1 2.900 10.694 -2.619 13 3HD2 LEU 1 3HD2 LEU 1 4.126 9.510 -2.166 14 H GLU 2 H GLU 2 1.519 13.376 -1.871 15 HA GLU 2 HA GLU 2 -0.084 12.313 0.320 16 1HB GLU 2 2HB GLU 2 -0.547 14.455 -1.158 17 2HB GLU 2 1HB GLU 2 -1.281 13.280 -2.240 18 1HG GLU 2 2HG GLU 2 -2.815 12.583 -0.524 19 2HG GLU 2 1HG GLU 2 -2.020 13.624 0.656 20 H CYS 3 H CYS 3 0.547 10.104 0.101 21 HA CYS 3 HA CYS 3 0.018 8.689 -2.340 22 1HB CYS 3 2HB CYS 3 0.451 7.373 0.324 23 2HB CYS 3 1HB CYS 3 0.926 6.820 -1.279 24 H HIS 4 H HIS 4 -1.093 6.321 -1.426 25 HA HIS 4 HA HIS 4 -3.849 7.177 -0.870 26 1HB HIS 4 2HB HIS 4 -2.705 4.808 -2.335 27 2HB HIS 4 1HB HIS 4 -4.378 4.820 -1.770 28 HD1 HIS 4 1HD HIS 4 -5.616 7.261 -2.601 29 HD2 HIS 4 2HD HIS 4 -2.575 5.609 -4.900 30 HE1 HIS 4 1HE HIS 4 -5.896 8.250 -4.894 31 HE2 HIS 4 2HE HIS 4 -4.114 7.151 -6.295 32 H ASN 5 H ASN 5 -5.164 5.331 0.203 33 HA ASN 5 HA ASN 5 -3.872 3.571 2.000 34 1HB ASN 5 2HB ASN 5 -4.418 4.704 4.120 35 2HB ASN 5 1HB ASN 5 -3.266 5.638 3.164 36 1HD2 ASN 5 1HD2 ASN 5 -4.115 7.274 4.744 37 2HD2 ASN 5 2HD2 ASN 5 -5.493 8.205 4.242 38 H GLN 6 H GLN 6 -5.705 2.815 0.388 39 HA GLN 6 HA GLN 6 -8.238 2.787 1.897 40 1HB GLN 6 2HB GLN 6 -9.428 2.537 -0.174 41 2HB GLN 6 1HB GLN 6 -8.346 3.913 -0.330 42 1HG GLN 6 2HG GLN 6 -6.736 2.071 -1.334 43 2HG GLN 6 1HG GLN 6 -8.271 1.273 -1.677 44 1HE2 GLN 6 1HE2 GLN 6 -6.348 4.145 -2.236 45 2HE2 GLN 6 2HE2 GLN 6 -7.168 4.644 -3.683 46 H GLN 7 H GLN 7 -8.965 0.875 2.596 47 HA GLN 7 HA GLN 7 -7.414 -1.494 2.106 48 1HB GLN 7 2HB GLN 7 -9.088 -2.534 3.651 49 2HB GLN 7 1HB GLN 7 -8.227 -1.166 4.331 50 1HG GLN 7 2HG GLN 7 -10.554 -0.148 3.115 51 2HG GLN 7 1HG GLN 7 -11.034 -1.573 4.034 52 1HE2 GLN 7 1HE2 GLN 7 -11.066 1.556 4.289 53 2HE2 GLN 7 2HE2 GLN 7 -10.679 1.786 5.966 54 H SER 8 H SER 8 -7.689 -2.561 0.251 55 HA SER 8 HA SER 8 -8.703 -3.832 -1.352 56 1HB SER 8 2HB SER 8 -10.585 -3.869 0.745 57 2HB SER 8 1HB SER 8 -11.501 -3.483 -0.717 58 HG SER 8 HG SER 8 -10.636 -5.343 -1.679 59 H SER 9 H SER 9 -11.149 -3.424 -2.686 60 HA SER 9 HA SER 9 -10.489 -1.380 -4.459 61 1HB SER 9 2HB SER 9 -11.943 -3.130 -5.200 62 2HB SER 9 1HB SER 9 -13.121 -2.771 -3.938 63 HG SER 9 HG SER 9 -13.567 -0.817 -4.971 64 H GLN 10 H GLN 10 -13.569 -1.258 -2.713 65 HA GLN 10 HA GLN 10 -14.819 0.532 -2.119 66 1HB GLN 10 2HB GLN 10 -12.428 1.295 -0.532 67 2HB GLN 10 1HB GLN 10 -14.120 1.324 -0.082 68 1HG GLN 10 2HG GLN 10 -13.913 -1.225 -0.412 69 2HG GLN 10 1HG GLN 10 -12.204 -0.920 -0.155 70 1HE2 GLN 10 1HE2 GLN 10 -12.032 0.864 1.744 71 2HE2 GLN 10 2HE2 GLN 10 -12.820 0.354 3.206 72 H ALA 11 H ALA 11 -14.206 3.051 -1.229 73 HA ALA 11 HA ALA 11 -13.655 4.385 -3.750 74 1HB ALA 11 1HB ALA 11 -14.274 6.407 -2.097 75 2HB ALA 11 2HB ALA 11 -15.065 5.076 -1.253 76 3HB ALA 11 3HB ALA 11 -15.483 5.428 -2.930 77 HA PRO 12 HA PRO 12 -9.328 5.141 -2.934 78 1HB PRO 12 2HB PRO 12 -10.181 7.641 -4.358 79 2HB PRO 12 1HB PRO 12 -8.703 6.688 -4.561 80 1HG PRO 12 2HG PRO 12 -10.681 6.377 -6.280 81 2HG PRO 12 1HG PRO 12 -9.816 4.956 -5.649 82 1HD PRO 12 2HD PRO 12 -12.545 5.957 -4.981 83 2HD PRO 12 1HD PRO 12 -11.928 4.291 -5.031 84 H THR 13 H THR 13 -8.001 6.688 -1.801 85 HA THR 13 HA THR 13 -9.222 8.904 -0.434 86 HB THR 13 HB THR 13 -8.245 7.704 1.797 87 HG1 THR 13 1HG THR 13 -8.765 5.573 1.789 88 1HG2 THR 13 1HG2 THR 13 -10.801 6.780 1.872 89 2HG2 THR 13 2HG2 THR 13 -10.914 8.075 0.679 90 3HG2 THR 13 3HG2 THR 13 -10.295 8.416 2.295 91 H THR 14 H THR 14 -7.681 10.336 -0.942 92 HA THR 14 HA THR 14 -4.867 9.577 -0.692 93 HB THR 14 HB THR 14 -4.500 11.854 -1.766 94 HG1 THR 14 1HG THR 14 -6.166 13.065 -2.067 95 1HG2 THR 14 1HG2 THR 14 -5.854 9.577 -3.097 96 2HG2 THR 14 2HG2 THR 14 -4.243 10.247 -3.352 97 3HG2 THR 14 3HG2 THR 14 -5.658 11.083 -3.993 98 H LYS 15 H LYS 15 -3.462 10.517 0.723 99 HA LYS 15 HA LYS 15 -4.182 12.814 2.289 100 1HB LYS 15 2HB LYS 15 -5.139 10.464 3.280 101 2HB LYS 15 1HB LYS 15 -3.568 10.543 4.066 102 1HG LYS 15 2HG LYS 15 -5.128 13.031 4.144 103 2HG LYS 15 1HG LYS 15 -5.820 11.672 5.033 104 1HD LYS 15 2HD LYS 15 -2.944 12.488 5.344 105 2HD LYS 15 1HD LYS 15 -4.234 13.213 6.306 106 1HE LYS 15 2HE LYS 15 -3.773 10.243 6.140 107 2HE LYS 15 1HE LYS 15 -3.020 11.265 7.363 108 1HZ LYS 15 1HZ LYS 15 -5.928 11.402 7.013 109 2HZ LYS 15 2HZ LYS 15 -5.001 11.634 8.409 110 3HZ LYS 15 3HZ LYS 15 -5.276 10.069 7.827 111 H THR 16 H THR 16 -2.438 13.513 3.705 112 HA THR 16 HA THR 16 0.159 12.647 2.661 113 HB THR 16 HB THR 16 -0.187 15.035 4.433 114 HG1 THR 16 1HG THR 16 -0.934 16.246 2.777 115 1HG2 THR 16 1HG2 THR 16 1.596 15.966 3.210 116 2HG2 THR 16 2HG2 THR 16 1.476 14.734 1.954 117 3HG2 THR 16 3HG2 THR 16 2.054 14.300 3.563 118 H CYS 17 H CYS 17 1.899 12.154 4.027 119 HA CYS 17 HA CYS 17 1.095 11.004 6.572 120 1HB CYS 17 2HB CYS 17 3.705 10.877 5.047 121 2HB CYS 17 1HB CYS 17 3.396 10.043 6.573 122 H SER 18 H SER 18 3.083 11.148 8.249 123 HA SER 18 HA SER 18 2.985 13.733 9.314 124 1HB SER 18 2HB SER 18 5.212 12.656 10.498 125 2HB SER 18 1HB SER 18 3.555 12.369 11.024 126 HG SER 18 HG SER 18 4.853 10.771 9.079 127 H GLY 19 H GLY 19 5.899 12.084 8.059 128 1HA GLY 19 2HA GLY 19 6.687 14.421 6.570 129 2HA GLY 19 1HA GLY 19 7.651 14.168 8.023 130 H GLU 20 H GLU 20 6.325 11.503 6.196 131 HA GLU 20 HA GLU 20 8.873 10.290 5.897 132 1HB GLU 20 2HB GLU 20 6.092 9.665 5.021 133 2HB GLU 20 1HB GLU 20 7.420 8.835 4.210 134 1HG GLU 20 2HG GLU 20 7.720 8.807 7.090 135 2HG GLU 20 1HG GLU 20 6.195 8.090 6.573 136 H THR 21 H THR 21 9.251 9.308 3.504 137 HA THR 21 HA THR 21 9.247 11.590 1.646 138 HB THR 21 HB THR 21 11.496 10.380 0.874 139 HG1 THR 21 1HG THR 21 12.254 9.076 2.306 140 1HG2 THR 21 1HG2 THR 21 12.072 11.944 3.260 141 2HG2 THR 21 2HG2 THR 21 10.957 12.733 2.146 142 3HG2 THR 21 3HG2 THR 21 12.543 12.210 1.581 143 H ASN 22 H ASN 22 9.407 8.081 2.000 144 HA ASN 22 HA ASN 22 8.346 7.839 -0.739 145 1HB ASN 22 2HB ASN 22 9.524 5.376 0.228 146 2HB ASN 22 1HB ASN 22 9.881 6.288 -1.240 147 1HD2 ASN 22 1HD2 ASN 22 10.807 5.592 2.001 148 2HD2 ASN 22 2HD2 ASN 22 12.304 6.471 1.990 149 H CYS 23 H CYS 23 6.905 6.051 -1.128 150 HA CYS 23 HA CYS 23 5.440 5.179 1.272 151 1HB CYS 23 2HB CYS 23 4.504 6.448 -1.233 152 2HB CYS 23 1HB CYS 23 3.540 5.088 -0.657 153 H TYR 24 H TYR 24 3.753 3.342 0.216 154 HA TYR 24 HA TYR 24 5.117 1.602 -1.619 155 1HB TYR 24 2HB TYR 24 5.421 -0.275 -0.085 156 2HB TYR 24 1HB TYR 24 6.364 1.121 0.436 157 HD1 TYR 24 1HD TYR 24 6.128 1.959 2.608 158 HD2 TYR 24 2HD TYR 24 3.170 -0.685 1.070 159 HE1 TYR 24 1HE TYR 24 5.094 1.831 4.835 160 HE2 TYR 24 2HE TYR 24 2.127 -0.817 3.292 161 HH TYR 24 HH TYR 24 3.582 0.023 6.061 162 H LYS 25 H LYS 25 3.995 -0.678 -1.463 163 HA LYS 25 HA LYS 25 1.215 -0.643 -0.747 164 1HB LYS 25 2HB LYS 25 1.507 0.580 -3.050 165 2HB LYS 25 1HB LYS 25 1.721 -1.054 -3.674 166 1HG LYS 25 2HG LYS 25 -0.479 -1.600 -2.506 167 2HG LYS 25 1HG LYS 25 -0.696 0.147 -2.376 168 1HD LYS 25 2HD LYS 25 -1.068 0.397 -4.598 169 2HD LYS 25 1HD LYS 25 0.067 -0.881 -5.039 170 1HE LYS 25 2HE LYS 25 -1.694 -2.477 -4.034 171 2HE LYS 25 1HE LYS 25 -2.798 -1.109 -4.185 172 1HZ LYS 25 1HZ LYS 25 -1.215 -1.772 -6.538 173 2HZ LYS 25 2HZ LYS 25 -2.823 -1.263 -6.423 174 3HZ LYS 25 3HZ LYS 25 -2.425 -2.877 -6.113 175 H LYS 26 H LYS 26 0.667 -2.662 -0.207 176 HA LYS 26 HA LYS 26 2.218 -4.865 -1.397 177 1HB LYS 26 2HB LYS 26 1.716 -6.037 0.854 178 2HB LYS 26 1HB LYS 26 3.016 -4.873 0.761 179 1HG LYS 26 2HG LYS 26 0.699 -3.440 1.469 180 2HG LYS 26 1HG LYS 26 0.746 -4.891 2.468 181 1HD LYS 26 2HD LYS 26 3.328 -4.114 2.615 182 2HD LYS 26 1HD LYS 26 2.533 -2.549 2.444 183 1HE LYS 26 2HE LYS 26 1.496 -4.547 4.410 184 2HE LYS 26 1HE LYS 26 2.908 -3.571 4.812 185 1HZ LYS 26 1HZ LYS 26 1.674 -1.723 5.026 186 2HZ LYS 26 2HZ LYS 26 0.396 -2.805 5.260 187 3HZ LYS 26 3HZ LYS 26 0.645 -2.109 3.739 188 H TRP 27 H TRP 27 1.174 -6.908 -1.490 189 HA TRP 27 HA TRP 27 -1.639 -7.105 -0.987 190 1HB TRP 27 2HB TRP 27 -2.247 -7.609 -3.366 191 2HB TRP 27 1HB TRP 27 -1.869 -5.936 -3.056 192 HD1 TRP 27 HD TRP 27 -0.863 -8.835 -5.077 193 HE1 TRP 27 1HE TRP 27 1.009 -8.174 -6.695 194 HE3 TRP 27 3HE TRP 27 0.247 -4.231 -3.187 195 HZ2 TRP 27 2HZ TRP 27 2.744 -5.986 -7.127 196 HZ3 TRP 27 3HZ TRP 27 2.020 -2.915 -4.259 197 HH2 TRP 27 HH TRP 27 3.243 -3.772 -6.188 198 H TRP 28 H TRP 28 -2.522 -9.209 -1.739 199 HA TRP 28 HA TRP 28 -0.630 -11.292 -2.369 200 1HB TRP 28 2HB TRP 28 -1.225 -12.604 -0.277 201 2HB TRP 28 1HB TRP 28 -0.162 -11.224 -0.035 202 HD1 TRP 28 HD TRP 28 -3.610 -12.495 0.796 203 HE1 TRP 28 1HE TRP 28 -4.652 -10.936 2.525 204 HE3 TRP 28 3HE TRP 28 -0.143 -8.738 0.745 205 HZ2 TRP 28 2HZ TRP 28 -4.115 -8.450 3.744 206 HZ3 TRP 28 3HZ TRP 28 -0.481 -6.805 2.229 207 HH2 TRP 28 HH TRP 28 -2.429 -6.665 3.696 208 H SER 29 H SER 29 -1.797 -13.503 -2.168 209 HA SER 29 HA SER 29 -4.639 -13.199 -2.863 210 1HB SER 29 2HB SER 29 -2.666 -14.973 -4.325 211 2HB SER 29 1HB SER 29 -4.390 -14.809 -4.683 212 HG SER 29 HG SER 29 -3.882 -12.510 -5.021 213 H ASP 30 H ASP 30 -5.539 -14.095 -1.087 214 HA ASP 30 HA ASP 30 -4.520 -16.681 -0.150 215 1HB ASP 30 2HB ASP 30 -5.164 -14.474 1.289 216 2HB ASP 30 1HB ASP 30 -6.687 -15.359 1.364 217 H HIS 31 H HIS 31 -6.866 -17.562 1.127 218 HA HIS 31 HA HIS 31 -8.166 -18.863 -1.039 219 1HB HIS 31 2HB HIS 31 -9.707 -19.709 0.810 220 2HB HIS 31 1HB HIS 31 -7.999 -20.108 0.963 221 HD1 HIS 31 1HD HIS 31 -7.033 -19.662 3.192 222 HD2 HIS 31 2HD HIS 31 -10.370 -17.298 2.457 223 HE1 HIS 31 1HE HIS 31 -7.427 -18.377 5.317 224 HE2 HIS 31 2HE HIS 31 -9.403 -16.893 4.821 225 H ARG 32 H ARG 32 -9.014 -16.174 1.066 226 HA ARG 32 HA ARG 32 -11.713 -15.941 0.227 227 1HB ARG 32 2HB ARG 32 -9.801 -14.335 1.809 228 2HB ARG 32 1HB ARG 32 -11.088 -13.419 1.025 229 1HG ARG 32 2HG ARG 32 -12.756 -14.486 2.233 230 2HG ARG 32 1HG ARG 32 -11.719 -15.854 2.644 231 1HD ARG 32 2HD ARG 32 -10.371 -13.746 3.752 232 2HD ARG 32 1HD ARG 32 -12.054 -13.273 3.981 233 HE ARG 32 HE ARG 32 -10.656 -15.411 5.297 234 1HH1 ARG 32 1HH1 ARG 32 -13.786 -14.205 4.333 235 2HH1 ARG 32 2HH1 ARG 32 -14.640 -15.085 5.555 236 1HH2 ARG 32 1HH2 ARG 32 -11.778 -16.571 6.905 237 2HH2 ARG 32 2HH2 ARG 32 -13.501 -16.428 7.015 238 H GLY 33 H GLY 33 -8.680 -14.794 -1.056 239 1HA GLY 33 2HA GLY 33 -9.227 -14.450 -3.624 240 2HA GLY 33 1HA GLY 33 -10.017 -13.023 -2.956 241 H THR 34 H THR 34 -8.834 -11.235 -2.814 242 HA THR 34 HA THR 34 -5.960 -11.420 -2.373 243 HB THR 34 HB THR 34 -6.409 -11.401 -4.872 244 HG1 THR 34 1HG THR 34 -4.747 -9.927 -5.232 245 1HG2 THR 34 1HG2 THR 34 -8.239 -9.542 -4.520 246 2HG2 THR 34 2HG2 THR 34 -7.256 -9.610 -5.982 247 3HG2 THR 34 3HG2 THR 34 -6.847 -8.474 -4.696 248 H ILE 35 H ILE 35 -5.025 -9.522 -1.536 249 HA ILE 35 HA ILE 35 -6.877 -7.338 -0.880 250 HB ILE 35 HB ILE 35 -4.982 -8.500 1.155 251 1HG1 ILE 35 2HG1 ILE 35 -7.977 -8.888 0.981 252 2HG1 ILE 35 1HG1 ILE 35 -6.785 -10.112 0.554 253 1HG2 ILE 35 1HG2 ILE 35 -5.357 -6.369 1.876 254 2HG2 ILE 35 2HG2 ILE 35 -6.743 -7.176 2.608 255 3HG2 ILE 35 3HG2 ILE 35 -6.942 -6.271 1.108 256 1HD1 ILE 35 1HD1 ILE 35 -7.857 -9.416 3.125 257 2HD1 ILE 35 2HD1 ILE 35 -6.099 -9.288 3.125 258 3HD1 ILE 35 3HD1 ILE 35 -6.873 -10.801 2.653 259 H ILE 36 H ILE 36 -5.851 -5.325 -0.387 260 HA ILE 36 HA ILE 36 -2.988 -5.149 -0.974 261 HB ILE 36 HB ILE 36 -3.287 -3.318 -2.543 262 1HG1 ILE 36 2HG1 ILE 36 -6.247 -3.812 -2.145 263 2HG1 ILE 36 1HG1 ILE 36 -5.357 -2.358 -1.709 264 1HG2 ILE 36 1HG2 ILE 36 -5.097 -5.108 -3.912 265 2HG2 ILE 36 2HG2 ILE 36 -3.840 -5.994 -3.049 266 3HG2 ILE 36 3HG2 ILE 36 -3.398 -4.762 -4.230 267 1HD1 ILE 36 1HD1 ILE 36 -5.762 -3.370 -4.513 268 2HD1 ILE 36 2HD1 ILE 36 -4.950 -1.875 -4.044 269 3HD1 ILE 36 3HD1 ILE 36 -6.677 -2.072 -3.745 270 H GLU 37 H GLU 37 -1.959 -3.764 0.402 271 HA GLU 37 HA GLU 37 -3.621 -1.750 1.764 272 1HB GLU 37 2HB GLU 37 -1.618 -2.235 3.564 273 2HB GLU 37 1HB GLU 37 -3.245 -2.910 3.645 274 1HG GLU 37 2HG GLU 37 -2.567 -4.955 2.804 275 2HG GLU 37 1HG GLU 37 -1.079 -4.302 2.130 276 H ARG 38 H ARG 38 -2.342 0.055 2.705 277 HA ARG 38 HA ARG 38 0.092 0.638 1.164 278 1HB ARG 38 2HB ARG 38 -2.249 2.510 1.563 279 2HB ARG 38 1HB ARG 38 -0.714 2.959 0.836 280 1HG ARG 38 2HG ARG 38 -1.306 2.149 -1.146 281 2HG ARG 38 1HG ARG 38 -1.883 0.637 -0.444 282 1HD ARG 38 2HD ARG 38 -4.019 1.537 -0.012 283 2HD ARG 38 1HD ARG 38 -3.463 3.188 -0.281 284 HE ARG 38 HE ARG 38 -3.866 2.901 -2.506 285 1HH1 ARG 38 1HH1 ARG 38 -3.569 -0.248 -1.030 286 2HH1 ARG 38 2HH1 ARG 38 -3.999 -1.104 -2.473 287 1HH2 ARG 38 1HH2 ARG 38 -4.433 1.777 -4.404 288 2HH2 ARG 38 2HH2 ARG 38 -4.491 0.047 -4.389 289 H GLY 39 H GLY 39 1.099 2.783 2.058 290 1HA GLY 39 2HA GLY 39 0.630 3.479 4.767 291 2HA GLY 39 1HA GLY 39 1.951 2.327 4.665 292 H CYS 40 H CYS 40 3.631 3.633 5.223 293 HA CYS 40 HA CYS 40 4.486 5.551 3.227 294 1HB CYS 40 2HB CYS 40 3.168 6.444 5.567 295 2HB CYS 40 1HB CYS 40 4.881 6.816 5.779 296 H GLY 41 H GLY 41 6.290 4.354 2.810 297 1HA GLY 41 2HA GLY 41 8.664 4.729 3.952 298 2HA GLY 41 1HA GLY 41 7.996 3.482 5.003 299 H CYS 42 H CYS 42 9.524 1.937 4.428 300 HA CYS 42 HA CYS 42 8.906 0.480 2.034 301 1HB CYS 42 2HB CYS 42 10.523 2.255 1.259 302 2HB CYS 42 1HB CYS 42 11.732 1.513 2.311 303 HA PRO 43 HA PRO 43 10.501 -2.045 5.574 304 1HB PRO 43 2HB PRO 43 8.322 -3.556 5.976 305 2HB PRO 43 1HB PRO 43 8.448 -1.917 6.641 306 1HG PRO 43 2HG PRO 43 6.989 -2.872 4.207 307 2HG PRO 43 1HG PRO 43 6.471 -1.704 5.441 308 1HD PRO 43 2HD PRO 43 7.511 -1.009 2.988 309 2HD PRO 43 1HD PRO 43 7.573 0.027 4.430 310 H LYS 44 H LYS 44 9.969 -4.657 5.715 311 HA LYS 44 HA LYS 44 11.047 -5.667 3.213 312 1HB LYS 44 2HB LYS 44 10.560 -7.098 5.833 313 2HB LYS 44 1HB LYS 44 11.453 -7.736 4.459 314 1HG LYS 44 2HG LYS 44 13.300 -6.514 4.914 315 2HG LYS 44 1HG LYS 44 12.378 -5.152 5.553 316 1HD LYS 44 2HD LYS 44 12.560 -5.895 7.654 317 2HD LYS 44 1HD LYS 44 12.104 -7.536 7.193 318 1HE LYS 44 2HE LYS 44 14.353 -7.462 8.153 319 2HE LYS 44 1HE LYS 44 14.384 -7.983 6.468 320 1HZ LYS 44 1HZ LYS 44 15.030 -5.264 7.471 321 2HZ LYS 44 2HZ LYS 44 14.997 -5.713 5.841 322 3HZ LYS 44 3HZ LYS 44 16.135 -6.403 6.885 323 H VAL 45 H VAL 45 10.217 -8.161 2.936 324 HA VAL 45 HA VAL 45 7.320 -7.892 2.489 325 HB VAL 45 HB VAL 45 7.575 -9.609 0.742 326 1HG1 VAL 45 1HG1 VAL 45 9.627 -7.712 -0.130 327 2HG1 VAL 45 2HG1 VAL 45 8.199 -6.958 0.580 328 3HG1 VAL 45 3HG1 VAL 45 8.029 -8.045 -0.798 329 1HG2 VAL 45 1HG2 VAL 45 10.517 -9.390 1.376 330 2HG2 VAL 45 2HG2 VAL 45 9.840 -10.229 -0.020 331 3HG2 VAL 45 3HG2 VAL 45 9.492 -10.805 1.610 332 H LYS 46 H LYS 46 5.947 -9.651 2.915 333 HA LYS 46 HA LYS 46 6.879 -11.355 5.035 334 1HB LYS 46 2HB LYS 46 4.219 -10.445 4.078 335 2HB LYS 46 1HB LYS 46 4.299 -11.980 4.930 336 1HG LYS 46 2HG LYS 46 5.503 -9.485 6.074 337 2HG LYS 46 1HG LYS 46 3.798 -9.882 6.290 338 1HD LYS 46 2HD LYS 46 6.134 -11.612 7.101 339 2HD LYS 46 1HD LYS 46 5.137 -10.645 8.189 340 1HE LYS 46 2HE LYS 46 3.247 -12.098 6.885 341 2HE LYS 46 1HE LYS 46 4.591 -13.239 6.922 342 1HZ LYS 46 1HZ LYS 46 4.678 -13.119 9.270 343 2HZ LYS 46 2HZ LYS 46 3.051 -13.345 8.865 344 3HZ LYS 46 3HZ LYS 46 3.603 -11.814 9.327 345 HA PRO 47 HA PRO 47 7.693 -15.007 2.688 346 1HB PRO 47 2HB PRO 47 5.963 -16.422 4.607 347 2HB PRO 47 1HB PRO 47 7.651 -16.690 4.206 348 1HG PRO 47 2HG PRO 47 6.656 -15.416 6.468 349 2HG PRO 47 1HG PRO 47 8.336 -15.471 5.937 350 1HD PRO 47 2HD PRO 47 6.630 -13.217 6.038 351 2HD PRO 47 1HD PRO 47 8.269 -13.313 5.366 352 H GLY 48 H GLY 48 6.462 -14.514 0.819 353 1HA GLY 48 2HA GLY 48 4.912 -15.684 -0.621 354 2HA GLY 48 1HA GLY 48 3.841 -15.868 0.765 355 H VAL 49 H VAL 49 4.308 -13.047 1.570 356 HA VAL 49 HA VAL 49 2.201 -11.892 -0.018 357 HB VAL 49 HB VAL 49 3.812 -10.572 2.168 358 1HG1 VAL 49 1HG1 VAL 49 1.325 -9.522 2.299 359 2HG1 VAL 49 2HG1 VAL 49 1.467 -9.815 0.566 360 3HG1 VAL 49 3HG1 VAL 49 2.655 -8.806 1.390 361 1HG2 VAL 49 1HG2 VAL 49 1.210 -12.075 2.433 362 2HG2 VAL 49 2HG2 VAL 49 2.114 -11.285 3.725 363 3HG2 VAL 49 3HG2 VAL 49 2.787 -12.700 2.916 364 H ASN 50 H ASN 50 2.320 -9.949 -1.208 365 HA ASN 50 HA ASN 50 4.996 -9.407 -2.291 366 1HB ASN 50 2HB ASN 50 2.488 -8.383 -3.570 367 2HB ASN 50 1HB ASN 50 4.026 -8.819 -4.316 368 1HD2 ASN 50 1HD2 ASN 50 0.885 -9.790 -3.670 369 2HD2 ASN 50 2HD2 ASN 50 1.033 -11.460 -4.125 370 H LEU 51 H LEU 51 5.688 -7.260 -2.627 371 HA LEU 51 HA LEU 51 4.167 -5.043 -1.619 372 1HB LEU 51 2HB LEU 51 4.887 -5.763 0.503 373 2HB LEU 51 1HB LEU 51 6.481 -6.192 -0.085 374 HG LEU 51 HG LEU 51 6.801 -3.664 -0.482 375 1HD1 LEU 51 1HD1 LEU 51 4.208 -3.452 0.082 376 2HD1 LEU 51 2HD1 LEU 51 5.365 -2.164 0.416 377 3HD1 LEU 51 3HD1 LEU 51 4.860 -3.251 1.708 378 1HD2 LEU 51 1HD2 LEU 51 7.623 -5.272 1.438 379 2HD2 LEU 51 2HD2 LEU 51 6.560 -4.262 2.417 380 3HD2 LEU 51 3HD2 LEU 51 7.889 -3.531 1.518 381 H ASN 52 H ASN 52 5.102 -3.018 -2.181 382 HA ASN 52 HA ASN 52 7.694 -2.954 -3.445 383 1HB ASN 52 2HB ASN 52 7.082 -2.546 -5.646 384 2HB ASN 52 1HB ASN 52 5.924 -3.781 -5.166 385 1HD2 ASN 52 1HD2 ASN 52 4.030 -2.451 -3.831 386 2HD2 ASN 52 2HD2 ASN 52 3.278 -1.267 -4.838 387 H CYS 53 H CYS 53 8.633 -1.087 -2.979 388 HA CYS 53 HA CYS 53 7.067 1.092 -1.897 389 1HB CYS 53 2HB CYS 53 10.051 1.088 -2.291 390 2HB CYS 53 1HB CYS 53 9.098 1.940 -1.081 391 H CYS 54 H CYS 54 7.372 3.303 -2.623 392 HA CYS 54 HA CYS 54 8.566 3.829 -5.181 393 1HB CYS 54 2HB CYS 54 6.280 4.722 -6.064 394 2HB CYS 54 1HB CYS 54 6.666 3.009 -6.230 395 H ARG 55 H ARG 55 8.552 5.969 -5.781 396 HA ARG 55 HA ARG 55 8.019 7.801 -3.560 397 1HB ARG 55 2HB ARG 55 10.038 8.739 -5.367 398 2HB ARG 55 1HB ARG 55 10.149 8.406 -3.647 399 1HG ARG 55 2HG ARG 55 10.457 5.974 -4.300 400 2HG ARG 55 1HG ARG 55 10.715 6.571 -5.942 401 1HD ARG 55 2HD ARG 55 12.265 7.557 -3.557 402 2HD ARG 55 1HD ARG 55 12.794 6.206 -4.562 403 HE ARG 55 HE ARG 55 12.229 8.406 -6.201 404 1HH1 ARG 55 1HH1 ARG 55 14.565 7.366 -3.828 405 2HH1 ARG 55 2HH1 ARG 55 15.851 8.319 -4.491 406 1HH2 ARG 55 1HH2 ARG 55 13.919 9.663 -7.076 407 2HH2 ARG 55 2HH2 ARG 55 15.485 9.622 -6.335 408 H THR 56 H THR 56 6.064 7.282 -5.521 409 HA THR 56 HA THR 56 6.025 9.865 -6.937 410 HB THR 56 HB THR 56 4.494 7.605 -8.101 411 HG1 THR 56 1HG THR 56 6.383 6.869 -9.179 412 1HG2 THR 56 1HG2 THR 56 4.300 9.248 -9.601 413 2HG2 THR 56 2HG2 THR 56 5.907 8.732 -10.115 414 3HG2 THR 56 3HG2 THR 56 5.729 10.096 -9.012 415 H ASP 57 H ASP 57 3.969 10.846 -7.196 416 HA ASP 57 HA ASP 57 2.276 10.622 -4.959 417 1HB ASP 57 2HB ASP 57 2.574 12.682 -6.351 418 2HB ASP 57 1HB ASP 57 1.617 11.908 -7.617 419 H ARG 58 H ARG 58 0.632 9.304 -4.536 420 HA ARG 58 HA ARG 58 -0.957 7.692 -4.760 421 1HB ARG 58 2HB ARG 58 -1.215 9.006 -7.470 422 2HB ARG 58 1HB ARG 58 -2.312 7.755 -6.886 423 1HG ARG 58 2HG ARG 58 -2.842 9.229 -4.948 424 2HG ARG 58 1HG ARG 58 -1.876 10.492 -5.711 425 1HD ARG 58 2HD ARG 58 -3.484 9.800 -7.764 426 2HD ARG 58 1HD ARG 58 -4.552 9.466 -6.402 427 HE ARG 58 HE ARG 58 -3.273 12.037 -6.269 428 1HH1 ARG 58 1HH1 ARG 58 -6.009 10.262 -7.514 429 2HH1 ARG 58 2HH1 ARG 58 -7.014 11.664 -7.651 430 1HH2 ARG 58 1HH2 ARG 58 -4.594 13.882 -6.448 431 2HH2 ARG 58 2HH2 ARG 58 -6.213 13.720 -7.045 432 H CYS 59 H CYS 59 1.853 7.163 -5.560 433 HA CYS 59 HA CYS 59 1.979 5.482 -7.794 434 1HB CYS 59 2HB CYS 59 4.097 4.771 -6.938 435 2HB CYS 59 1HB CYS 59 3.922 6.482 -6.557 436 H ASN 60 H ASN 60 0.849 4.942 -4.551 437 HA ASN 60 HA ASN 60 0.721 2.049 -4.969 438 1HB ASN 60 2HB ASN 60 0.023 1.981 -2.581 439 2HB ASN 60 1HB ASN 60 1.593 2.750 -2.822 440 1HD2 ASN 60 1HD2 ASN 60 0.712 3.360 -0.538 441 2HD2 ASN 60 2HD2 ASN 60 -0.062 4.912 -0.460 442 H ASN 61 H ASN 61 -0.986 3.900 -6.469 443 HA ASN 61 HA ASN 61 -3.615 3.827 -5.383 444 1HB ASN 61 2HB ASN 61 -4.264 4.454 -7.743 445 2HB ASN 61 1HB ASN 61 -3.128 5.544 -6.960 446 1HD2 ASN 61 1HD2 ASN 61 -2.977 6.023 -9.383 447 2HD2 ASN 61 2HD2 ASN 61 -1.715 5.188 -10.234 Start of MODEL 18 1 1H LEU 1 1HT LEU 1 4.892 14.605 -0.350 2 2H LEU 1 2HT LEU 1 4.104 15.725 -1.384 3 3H LEU 1 3HT LEU 1 5.602 15.029 -1.850 4 HA LEU 1 HA LEU 1 3.724 14.067 -2.996 5 1HB LEU 1 2HB LEU 1 5.930 12.908 -2.170 6 2HB LEU 1 1HB LEU 1 4.842 12.015 -1.126 7 HG LEU 1 HG LEU 1 4.222 12.117 -4.039 8 1HD1 LEU 1 1HD1 LEU 1 5.683 9.884 -3.979 9 2HD1 LEU 1 2HD1 LEU 1 6.608 10.854 -2.834 10 3HD1 LEU 1 3HD1 LEU 1 6.338 11.445 -4.474 11 1HD2 LEU 1 1HD2 LEU 1 2.638 10.779 -3.207 12 2HD2 LEU 1 2HD2 LEU 1 3.503 10.552 -1.687 13 3HD2 LEU 1 3HD2 LEU 1 3.905 9.558 -3.087 14 H GLU 2 H GLU 2 1.915 12.604 -2.879 15 HA GLU 2 HA GLU 2 0.611 12.472 -0.250 16 1HB GLU 2 2HB GLU 2 -0.219 14.053 -2.483 17 2HB GLU 2 1HB GLU 2 -1.405 12.780 -2.232 18 1HG GLU 2 2HG GLU 2 -1.958 13.531 -0.116 19 2HG GLU 2 1HG GLU 2 -0.448 14.420 0.072 20 H CYS 3 H CYS 3 1.009 10.287 -0.021 21 HA CYS 3 HA CYS 3 0.389 8.419 -2.109 22 1HB CYS 3 2HB CYS 3 0.916 7.777 0.789 23 2HB CYS 3 1HB CYS 3 1.177 6.753 -0.619 24 H HIS 4 H HIS 4 -0.769 6.325 -0.782 25 HA HIS 4 HA HIS 4 -3.399 7.366 0.039 26 1HB HIS 4 2HB HIS 4 -2.782 5.062 -1.818 27 2HB HIS 4 1HB HIS 4 -4.377 5.345 -1.113 28 HD1 HIS 4 1HD HIS 4 -5.114 8.070 -1.589 29 HD2 HIS 4 2HD HIS 4 -2.668 6.090 -4.303 30 HE1 HIS 4 1HE HIS 4 -5.339 9.344 -3.743 31 HE2 HIS 4 2HE HIS 4 -3.969 8.038 -5.407 32 H ASN 5 H ASN 5 -4.532 6.169 1.588 33 HA ASN 5 HA ASN 5 -2.996 4.025 2.901 34 1HB ASN 5 2HB ASN 5 -3.878 4.882 5.080 35 2HB ASN 5 1HB ASN 5 -2.767 5.992 4.273 36 1HD2 ASN 5 1HD2 ASN 5 -3.420 7.996 3.857 37 2HD2 ASN 5 2HD2 ASN 5 -5.038 8.587 4.083 38 H GLN 6 H GLN 6 -5.254 3.967 0.964 39 HA GLN 6 HA GLN 6 -7.601 3.204 2.401 40 1HB GLN 6 2HB GLN 6 -8.455 2.481 0.231 41 2HB GLN 6 1HB GLN 6 -7.710 4.068 0.106 42 1HG GLN 6 2HG GLN 6 -5.599 2.637 -0.567 43 2HG GLN 6 1HG GLN 6 -6.838 1.465 -1.015 44 1HE2 GLN 6 1HE2 GLN 6 -8.166 1.873 -2.744 45 2HE2 GLN 6 2HE2 GLN 6 -7.895 3.177 -3.857 46 H GLN 7 H GLN 7 -8.593 0.990 2.054 47 HA GLN 7 HA GLN 7 -6.538 -1.047 2.562 48 1HB GLN 7 2HB GLN 7 -8.759 -2.251 3.440 49 2HB GLN 7 1HB GLN 7 -7.784 -1.203 4.457 50 1HG GLN 7 2HG GLN 7 -9.296 0.569 4.275 51 2HG GLN 7 1HG GLN 7 -10.097 -0.142 2.874 52 1HE2 GLN 7 1HE2 GLN 7 -12.069 0.199 4.038 53 2HE2 GLN 7 2HE2 GLN 7 -12.568 -0.937 5.252 54 H SER 8 H SER 8 -6.193 -2.468 1.004 55 HA SER 8 HA SER 8 -6.483 -3.850 -0.776 56 1HB SER 8 2HB SER 8 -9.191 -3.781 0.460 57 2HB SER 8 1HB SER 8 -9.066 -4.436 -1.178 58 HG SER 8 HG SER 8 -8.437 -6.190 -0.217 59 H SER 9 H SER 9 -9.568 -2.133 -1.110 60 HA SER 9 HA SER 9 -8.525 -0.538 -3.302 61 1HB SER 9 2HB SER 9 -9.523 -2.957 -3.990 62 2HB SER 9 1HB SER 9 -11.002 -1.996 -4.016 63 HG SER 9 HG SER 9 -9.310 -2.151 -5.929 64 H GLN 10 H GLN 10 -11.428 -1.555 -1.525 65 HA GLN 10 HA GLN 10 -12.992 0.701 -2.093 66 1HB GLN 10 2HB GLN 10 -13.043 -1.471 -0.079 67 2HB GLN 10 1HB GLN 10 -13.964 -0.018 0.307 68 1HG GLN 10 2HG GLN 10 -14.374 -0.996 -2.411 69 2HG GLN 10 1HG GLN 10 -14.864 -2.135 -1.155 70 1HE2 GLN 10 1HE2 GLN 10 -15.073 1.349 -1.826 71 2HE2 GLN 10 2HE2 GLN 10 -16.737 1.511 -1.355 72 H ALA 11 H ALA 11 -13.833 1.949 0.072 73 HA ALA 11 HA ALA 11 -13.381 3.815 1.307 74 1HB ALA 11 1HB ALA 11 -11.306 3.266 2.922 75 2HB ALA 11 2HB ALA 11 -11.699 1.637 2.373 76 3HB ALA 11 3HB ALA 11 -12.928 2.620 3.171 77 HA PRO 12 HA PRO 12 -9.979 5.013 -1.779 78 1HB PRO 12 2HB PRO 12 -11.968 7.252 -1.816 79 2HB PRO 12 1HB PRO 12 -10.997 6.587 -3.140 80 1HG PRO 12 2HG PRO 12 -13.524 5.896 -2.975 81 2HG PRO 12 1HG PRO 12 -12.293 4.643 -3.276 82 1HD PRO 12 2HD PRO 12 -13.725 5.309 -0.724 83 2HD PRO 12 1HD PRO 12 -13.337 3.715 -1.414 84 H THR 13 H THR 13 -8.508 6.783 -1.595 85 HA THR 13 HA THR 13 -8.794 8.572 0.682 86 HB THR 13 HB THR 13 -6.460 7.983 1.456 87 HG1 THR 13 1HG THR 13 -5.540 6.767 -0.036 88 1HG2 THR 13 1HG2 THR 13 -8.205 7.202 2.836 89 2HG2 THR 13 2HG2 THR 13 -7.113 5.840 2.582 90 3HG2 THR 13 3HG2 THR 13 -8.634 5.929 1.694 91 H THR 14 H THR 14 -7.334 10.365 0.625 92 HA THR 14 HA THR 14 -5.742 10.676 -1.807 93 HB THR 14 HB THR 14 -7.810 12.704 -0.962 94 HG1 THR 14 1HG THR 14 -9.040 11.964 -2.605 95 1HG2 THR 14 1HG2 THR 14 -7.391 13.657 -3.212 96 2HG2 THR 14 2HG2 THR 14 -6.009 12.571 -3.363 97 3HG2 THR 14 3HG2 THR 14 -6.029 13.804 -2.101 98 H LYS 15 H LYS 15 -5.958 11.003 1.483 99 HA LYS 15 HA LYS 15 -4.418 13.426 1.758 100 1HB LYS 15 2HB LYS 15 -6.112 12.053 3.424 101 2HB LYS 15 1HB LYS 15 -4.536 11.624 4.073 102 1HG LYS 15 2HG LYS 15 -5.050 13.508 5.281 103 2HG LYS 15 1HG LYS 15 -4.087 14.181 3.964 104 1HD LYS 15 2HD LYS 15 -5.827 15.323 3.119 105 2HD LYS 15 1HD LYS 15 -6.952 13.988 3.380 106 1HE LYS 15 2HE LYS 15 -7.785 15.541 4.847 107 2HE LYS 15 1HE LYS 15 -6.678 14.660 5.898 108 1HZ LYS 15 1HZ LYS 15 -6.100 16.813 6.339 109 2HZ LYS 15 2HZ LYS 15 -6.415 17.356 4.768 110 3HZ LYS 15 3HZ LYS 15 -5.011 16.469 5.091 111 H THR 16 H THR 16 -2.538 12.991 3.585 112 HA THR 16 HA THR 16 -0.800 10.872 2.528 113 HB THR 16 HB THR 16 -0.189 13.024 1.477 114 HG1 THR 16 1HG THR 16 1.436 11.468 1.966 115 1HG2 THR 16 1HG2 THR 16 0.787 14.013 4.117 116 2HG2 THR 16 2HG2 THR 16 -0.848 14.382 3.567 117 3HG2 THR 16 3HG2 THR 16 0.541 14.894 2.609 118 H CYS 17 H CYS 17 1.383 11.090 4.020 119 HA CYS 17 HA CYS 17 0.407 10.477 6.691 120 1HB CYS 17 2HB CYS 17 3.264 10.269 5.747 121 2HB CYS 17 1HB CYS 17 2.484 9.399 7.071 122 H SER 18 H SER 18 2.590 11.039 8.258 123 HA SER 18 HA SER 18 2.186 13.730 8.928 124 1HB SER 18 2HB SER 18 4.518 13.234 10.171 125 2HB SER 18 1HB SER 18 2.976 12.611 10.756 126 HG SER 18 HG SER 18 5.117 11.278 9.674 127 H GLY 19 H GLY 19 4.489 12.189 6.806 128 1HA GLY 19 2HA GLY 19 5.146 14.038 5.085 129 2HA GLY 19 1HA GLY 19 5.969 14.705 6.494 130 H GLU 20 H GLU 20 5.693 11.640 4.691 131 HA GLU 20 HA GLU 20 8.482 11.053 5.367 132 1HB GLU 20 2HB GLU 20 6.107 9.442 4.727 133 2HB GLU 20 1HB GLU 20 7.590 8.879 3.957 134 1HG GLU 20 2HG GLU 20 7.113 9.271 6.903 135 2HG GLU 20 1HG GLU 20 7.294 7.741 6.046 136 H THR 21 H THR 21 9.361 9.545 3.341 137 HA THR 21 HA THR 21 9.389 11.425 1.084 138 HB THR 21 HB THR 21 11.525 9.718 0.700 139 HG1 THR 21 1HG THR 21 11.359 8.821 2.734 140 1HG2 THR 21 1HG2 THR 21 12.805 11.656 1.946 141 2HG2 THR 21 2HG2 THR 21 11.241 12.456 1.793 142 3HG2 THR 21 3HG2 THR 21 12.085 11.888 0.353 143 H ASN 22 H ASN 22 10.100 7.965 1.440 144 HA ASN 22 HA ASN 22 8.702 7.485 -1.087 145 1HB ASN 22 2HB ASN 22 10.039 5.181 0.144 146 2HB ASN 22 1HB ASN 22 10.167 5.821 -1.496 147 1HD2 ASN 22 1HD2 ASN 22 11.693 5.431 1.457 148 2HD2 ASN 22 2HD2 ASN 22 13.044 6.487 1.191 149 H CYS 23 H CYS 23 7.113 5.909 -1.320 150 HA CYS 23 HA CYS 23 5.856 4.993 1.180 151 1HB CYS 23 2HB CYS 23 4.727 6.237 -1.281 152 2HB CYS 23 1HB CYS 23 3.775 4.990 -0.481 153 H TYR 24 H TYR 24 4.091 3.178 0.323 154 HA TYR 24 HA TYR 24 5.173 1.486 -1.723 155 1HB TYR 24 2HB TYR 24 5.731 -0.427 -0.344 156 2HB TYR 24 1HB TYR 24 6.702 0.963 0.138 157 HD1 TYR 24 1HD TYR 24 6.829 1.523 2.388 158 HD2 TYR 24 2HD TYR 24 3.561 -0.842 1.047 159 HE1 TYR 24 1HE TYR 24 6.106 1.219 4.716 160 HE2 TYR 24 2HE TYR 24 2.826 -1.153 3.372 161 HH TYR 24 HH TYR 24 3.640 -1.035 5.596 162 H LYS 25 H LYS 25 4.089 -0.792 -1.490 163 HA LYS 25 HA LYS 25 1.434 -0.761 -0.381 164 1HB LYS 25 2HB LYS 25 1.253 0.500 -2.580 165 2HB LYS 25 1HB LYS 25 1.672 -1.012 -3.382 166 1HG LYS 25 2HG LYS 25 -0.302 -2.075 -2.533 167 2HG LYS 25 1HG LYS 25 -0.689 -0.663 -1.547 168 1HD LYS 25 2HD LYS 25 -1.597 0.441 -3.279 169 2HD LYS 25 1HD LYS 25 -0.326 -0.071 -4.393 170 1HE LYS 25 2HE LYS 25 -1.455 -2.355 -4.366 171 2HE LYS 25 1HE LYS 25 -2.817 -1.549 -3.588 172 1HZ LYS 25 1HZ LYS 25 -2.859 -1.784 -6.108 173 2HZ LYS 25 2HZ LYS 25 -1.697 -0.555 -6.135 174 3HZ LYS 25 3HZ LYS 25 -3.223 -0.262 -5.465 175 H LYS 26 H LYS 26 1.033 -2.751 0.298 176 HA LYS 26 HA LYS 26 2.414 -4.984 -1.039 177 1HB LYS 26 2HB LYS 26 1.842 -5.964 1.441 178 2HB LYS 26 1HB LYS 26 3.374 -5.277 0.960 179 1HG LYS 26 2HG LYS 26 2.988 -3.281 2.063 180 2HG LYS 26 1HG LYS 26 1.241 -3.523 2.081 181 1HD LYS 26 2HD LYS 26 1.523 -5.364 3.681 182 2HD LYS 26 1HD LYS 26 3.266 -5.096 3.673 183 1HE LYS 26 2HE LYS 26 1.848 -2.642 4.208 184 2HE LYS 26 1HE LYS 26 1.374 -3.902 5.345 185 1HZ LYS 26 1HZ LYS 26 3.838 -4.289 5.652 186 2HZ LYS 26 2HZ LYS 26 3.217 -2.855 6.300 187 3HZ LYS 26 3HZ LYS 26 4.082 -2.821 4.847 188 H TRP 27 H TRP 27 1.291 -6.848 -1.445 189 HA TRP 27 HA TRP 27 -1.429 -7.101 -0.474 190 1HB TRP 27 2HB TRP 27 -2.303 -7.561 -2.791 191 2HB TRP 27 1HB TRP 27 -1.933 -5.886 -2.461 192 HD1 TRP 27 HD TRP 27 -1.147 -8.675 -4.710 193 HE1 TRP 27 1HE TRP 27 0.513 -7.926 -6.512 194 HE3 TRP 27 3HE TRP 27 0.190 -4.163 -2.748 195 HZ2 TRP 27 2HZ TRP 27 2.182 -5.715 -7.046 196 HZ3 TRP 27 3HZ TRP 27 1.819 -2.790 -3.969 197 HH2 TRP 27 HH TRP 27 2.796 -3.547 -6.071 198 H TRP 28 H TRP 28 -2.424 -9.171 -1.151 199 HA TRP 28 HA TRP 28 -0.634 -11.263 -2.035 200 1HB TRP 28 2HB TRP 28 -1.034 -12.626 0.049 201 2HB TRP 28 1HB TRP 28 0.006 -11.226 0.280 202 HD1 TRP 28 HD TRP 28 -3.366 -12.611 1.249 203 HE1 TRP 28 1HE TRP 28 -4.344 -11.145 3.092 204 HE3 TRP 28 3HE TRP 28 0.033 -8.796 1.176 205 HZ2 TRP 28 2HZ TRP 28 -3.783 -8.697 4.382 206 HZ3 TRP 28 3HZ TRP 28 -0.261 -6.926 2.749 207 HH2 TRP 28 HH TRP 28 -2.132 -6.880 4.319 208 H SER 29 H SER 29 -1.839 -13.464 -1.723 209 HA SER 29 HA SER 29 -4.635 -13.035 -2.543 210 1HB SER 29 2HB SER 29 -2.547 -15.007 -3.409 211 2HB SER 29 1HB SER 29 -4.257 -15.445 -3.523 212 HG SER 29 HG SER 29 -4.589 -13.757 -4.914 213 H ASP 30 H ASP 30 -6.031 -13.518 -0.986 214 HA ASP 30 HA ASP 30 -5.307 -15.477 1.051 215 1HB ASP 30 2HB ASP 30 -6.507 -13.063 1.286 216 2HB ASP 30 1HB ASP 30 -7.928 -14.107 1.201 217 H HIS 31 H HIS 31 -7.985 -16.215 1.749 218 HA HIS 31 HA HIS 31 -8.344 -18.572 0.461 219 1HB HIS 31 2HB HIS 31 -10.930 -18.072 0.980 220 2HB HIS 31 1HB HIS 31 -9.768 -18.490 2.231 221 HD1 HIS 31 1HD HIS 31 -11.141 -17.223 4.013 222 HD2 HIS 31 2HD HIS 31 -9.789 -14.823 0.901 223 HE1 HIS 31 1HE HIS 31 -11.494 -14.857 4.786 224 HE2 HIS 31 2HE HIS 31 -10.745 -13.424 2.855 225 H ARG 32 H ARG 32 -10.896 -16.219 -0.216 226 HA ARG 32 HA ARG 32 -10.602 -16.846 -3.071 227 1HB ARG 32 2HB ARG 32 -12.982 -16.709 -1.285 228 2HB ARG 32 1HB ARG 32 -13.172 -16.180 -2.954 229 1HG ARG 32 2HG ARG 32 -12.800 -18.284 -3.806 230 2HG ARG 32 1HG ARG 32 -11.889 -18.808 -2.387 231 1HD ARG 32 2HD ARG 32 -14.149 -19.846 -2.600 232 2HD ARG 32 1HD ARG 32 -13.882 -18.985 -1.085 233 HE ARG 32 HE ARG 32 -15.049 -17.124 -2.673 234 1HH1 ARG 32 1HH1 ARG 32 -15.906 -20.379 -1.751 235 2HH1 ARG 32 2HH1 ARG 32 -17.610 -20.094 -1.858 236 1HH2 ARG 32 1HH2 ARG 32 -17.290 -16.747 -2.813 237 2HH2 ARG 32 2HH2 ARG 32 -18.397 -18.031 -2.460 238 H GLY 33 H GLY 33 -9.234 -14.687 -1.871 239 1HA GLY 33 2HA GLY 33 -10.185 -12.544 -3.524 240 2HA GLY 33 1HA GLY 33 -10.445 -12.224 -1.811 241 H THR 34 H THR 34 -8.969 -10.395 -2.720 242 HA THR 34 HA THR 34 -6.217 -11.113 -1.988 243 HB THR 34 HB THR 34 -6.998 -9.320 -4.296 244 HG1 THR 34 1HG THR 34 -5.722 -11.851 -4.281 245 1HG2 THR 34 1HG2 THR 34 -4.223 -10.253 -3.976 246 2HG2 THR 34 2HG2 THR 34 -4.762 -8.984 -2.877 247 3HG2 THR 34 3HG2 THR 34 -4.850 -8.736 -4.620 248 H ILE 35 H ILE 35 -5.088 -9.564 -0.838 249 HA ILE 35 HA ILE 35 -6.629 -7.165 -0.071 250 HB ILE 35 HB ILE 35 -4.662 -8.604 1.703 251 1HG1 ILE 35 2HG1 ILE 35 -7.686 -8.750 1.696 252 2HG1 ILE 35 1HG1 ILE 35 -6.589 -10.057 1.259 253 1HG2 ILE 35 1HG2 ILE 35 -4.854 -6.338 2.345 254 2HG2 ILE 35 2HG2 ILE 35 -5.869 -7.251 3.462 255 3HG2 ILE 35 3HG2 ILE 35 -6.605 -6.351 2.136 256 1HD1 ILE 35 1HD1 ILE 35 -7.193 -10.586 3.420 257 2HD1 ILE 35 2HD1 ILE 35 -7.176 -8.904 3.947 258 3HD1 ILE 35 3HD1 ILE 35 -5.658 -9.748 3.648 259 H ILE 36 H ILE 36 -5.379 -5.278 0.502 260 HA ILE 36 HA ILE 36 -2.567 -5.242 -0.216 261 HB ILE 36 HB ILE 36 -4.250 -3.215 -1.601 262 1HG1 ILE 36 2HG1 ILE 36 -3.752 -6.003 -2.638 263 2HG1 ILE 36 1HG1 ILE 36 -5.310 -5.270 -2.292 264 1HG2 ILE 36 1HG2 ILE 36 -2.220 -3.830 -3.270 265 2HG2 ILE 36 2HG2 ILE 36 -1.494 -4.167 -1.703 266 3HG2 ILE 36 3HG2 ILE 36 -2.160 -2.573 -2.037 267 1HD1 ILE 36 1HD1 ILE 36 -3.500 -4.876 -4.602 268 2HD1 ILE 36 2HD1 ILE 36 -4.481 -3.510 -4.071 269 3HD1 ILE 36 3HD1 ILE 36 -5.256 -5.020 -4.544 270 H GLU 37 H GLU 37 -1.573 -4.026 1.321 271 HA GLU 37 HA GLU 37 -3.140 -1.865 2.566 272 1HB GLU 37 2HB GLU 37 -1.011 -2.214 4.247 273 2HB GLU 37 1HB GLU 37 -2.597 -2.953 4.458 274 1HG GLU 37 2HG GLU 37 -1.734 -4.921 3.160 275 2HG GLU 37 1HG GLU 37 -0.134 -4.190 3.258 276 H ARG 38 H ARG 38 -1.889 0.046 3.283 277 HA ARG 38 HA ARG 38 0.259 0.662 1.359 278 1HB ARG 38 2HB ARG 38 -1.413 2.798 2.631 279 2HB ARG 38 1HB ARG 38 -0.537 2.834 1.109 280 1HG ARG 38 2HG ARG 38 -2.772 0.909 1.300 281 2HG ARG 38 1HG ARG 38 -3.192 2.621 1.270 282 1HD ARG 38 2HD ARG 38 -1.904 2.903 -0.787 283 2HD ARG 38 1HD ARG 38 -1.470 1.194 -0.754 284 HE ARG 38 HE ARG 38 -3.906 2.318 -1.701 285 1HH1 ARG 38 1HH1 ARG 38 -2.570 -0.483 -0.108 286 2HH1 ARG 38 2HH1 ARG 38 -3.818 -1.548 -0.662 287 1HH2 ARG 38 1HH2 ARG 38 -5.546 0.918 -2.435 288 2HH2 ARG 38 2HH2 ARG 38 -5.507 -0.755 -1.984 289 H GLY 39 H GLY 39 1.457 2.786 2.213 290 1HA GLY 39 2HA GLY 39 1.803 3.131 4.986 291 2HA GLY 39 1HA GLY 39 3.009 1.995 4.403 292 H CYS 40 H CYS 40 4.147 4.064 5.426 293 HA CYS 40 HA CYS 40 4.862 5.781 3.141 294 1HB CYS 40 2HB CYS 40 3.909 6.530 5.784 295 2HB CYS 40 1HB CYS 40 5.481 7.253 5.430 296 H GLY 41 H GLY 41 6.519 4.159 2.762 297 1HA GLY 41 2HA GLY 41 9.051 4.908 3.513 298 2HA GLY 41 1HA GLY 41 8.575 3.691 4.697 299 H CYS 42 H CYS 42 10.000 2.111 4.075 300 HA CYS 42 HA CYS 42 9.233 0.559 1.787 301 1HB CYS 42 2HB CYS 42 10.782 2.308 0.831 302 2HB CYS 42 1HB CYS 42 12.066 1.616 1.826 303 HA PRO 43 HA PRO 43 11.292 -1.643 5.383 304 1HB PRO 43 2HB PRO 43 9.141 -2.691 6.594 305 2HB PRO 43 1HB PRO 43 9.671 -1.031 6.916 306 1HG PRO 43 2HG PRO 43 7.461 -2.010 5.147 307 2HG PRO 43 1HG PRO 43 7.477 -0.630 6.263 308 1HD PRO 43 2HD PRO 43 7.850 -0.425 3.546 309 2HD PRO 43 1HD PRO 43 8.466 0.749 4.730 310 H LYS 44 H LYS 44 10.457 -4.083 6.104 311 HA LYS 44 HA LYS 44 10.440 -5.547 3.563 312 1HB LYS 44 2HB LYS 44 12.052 -5.796 5.791 313 2HB LYS 44 1HB LYS 44 10.904 -7.112 5.991 314 1HG LYS 44 2HG LYS 44 12.892 -7.854 4.812 315 2HG LYS 44 1HG LYS 44 11.470 -7.953 3.772 316 1HD LYS 44 2HD LYS 44 12.268 -6.421 2.332 317 2HD LYS 44 1HD LYS 44 12.902 -5.399 3.623 318 1HE LYS 44 2HE LYS 44 14.319 -7.945 3.250 319 2HE LYS 44 1HE LYS 44 14.428 -6.830 1.887 320 1HZ LYS 44 1HZ LYS 44 15.656 -5.370 3.064 321 2HZ LYS 44 2HZ LYS 44 16.067 -6.742 3.963 322 3HZ LYS 44 3HZ LYS 44 14.869 -5.690 4.528 323 H VAL 45 H VAL 45 9.505 -7.929 4.054 324 HA VAL 45 HA VAL 45 6.924 -7.679 5.420 325 HB VAL 45 HB VAL 45 5.733 -8.697 3.545 326 1HG1 VAL 45 1HG1 VAL 45 6.706 -6.082 3.666 327 2HG1 VAL 45 2HG1 VAL 45 5.304 -6.663 2.765 328 3HG1 VAL 45 3HG1 VAL 45 6.881 -6.572 1.980 329 1HG2 VAL 45 1HG2 VAL 45 6.961 -9.942 2.145 330 2HG2 VAL 45 2HG2 VAL 45 8.445 -9.072 2.530 331 3HG2 VAL 45 3HG2 VAL 45 7.330 -8.423 1.328 332 H LYS 46 H LYS 46 6.319 -10.387 3.975 333 HA LYS 46 HA LYS 46 8.232 -12.134 5.165 334 1HB LYS 46 2HB LYS 46 6.673 -13.289 6.623 335 2HB LYS 46 1HB LYS 46 6.765 -11.589 7.066 336 1HG LYS 46 2HG LYS 46 4.688 -12.076 5.121 337 2HG LYS 46 1HG LYS 46 4.472 -13.058 6.571 338 1HD LYS 46 2HD LYS 46 5.061 -10.711 7.719 339 2HD LYS 46 1HD LYS 46 4.339 -10.120 6.221 340 1HE LYS 46 2HE LYS 46 2.558 -12.034 6.932 341 2HE LYS 46 1HE LYS 46 3.101 -11.483 8.516 342 1HZ LYS 46 1HZ LYS 46 2.433 -9.422 6.567 343 2HZ LYS 46 2HZ LYS 46 2.164 -9.462 8.236 344 3HZ LYS 46 3HZ LYS 46 1.141 -10.316 7.195 345 HA PRO 47 HA PRO 47 7.597 -14.827 1.751 346 1HB PRO 47 2HB PRO 47 6.895 -16.898 3.747 347 2HB PRO 47 1HB PRO 47 8.114 -16.922 2.481 348 1HG PRO 47 2HG PRO 47 8.547 -16.458 5.184 349 2HG PRO 47 1HG PRO 47 9.699 -16.197 3.872 350 1HD PRO 47 2HD PRO 47 8.496 -14.237 5.514 351 2HD PRO 47 1HD PRO 47 9.501 -13.977 4.072 352 H GLY 48 H GLY 48 5.853 -14.926 0.486 353 1HA GLY 48 2HA GLY 48 3.696 -15.806 -0.043 354 2HA GLY 48 1HA GLY 48 3.281 -15.721 1.668 355 H VAL 49 H VAL 49 4.507 -12.953 1.751 356 HA VAL 49 HA VAL 49 2.138 -11.562 0.718 357 HB VAL 49 HB VAL 49 4.158 -10.515 2.700 358 1HG1 VAL 49 1HG1 VAL 49 1.414 -9.508 2.744 359 2HG1 VAL 49 2HG1 VAL 49 2.284 -9.155 1.252 360 3HG1 VAL 49 3HG1 VAL 49 2.944 -8.636 2.802 361 1HG2 VAL 49 1HG2 VAL 49 2.908 -12.609 3.419 362 2HG2 VAL 49 2HG2 VAL 49 1.447 -11.621 3.381 363 3HG2 VAL 49 3HG2 VAL 49 2.767 -11.203 4.473 364 H ASN 50 H ASN 50 2.277 -9.929 -0.736 365 HA ASN 50 HA ASN 50 4.896 -9.485 -1.965 366 1HB ASN 50 2HB ASN 50 2.336 -8.395 -3.080 367 2HB ASN 50 1HB ASN 50 3.797 -8.893 -3.932 368 1HD2 ASN 50 1HD2 ASN 50 0.741 -9.637 -3.740 369 2HD2 ASN 50 2HD2 ASN 50 0.789 -11.367 -3.881 370 H LEU 51 H LEU 51 5.653 -7.379 -2.444 371 HA LEU 51 HA LEU 51 4.322 -5.067 -1.389 372 1HB LEU 51 2HB LEU 51 5.237 -5.886 0.670 373 2HB LEU 51 1HB LEU 51 6.802 -6.156 -0.071 374 HG LEU 51 HG LEU 51 6.770 -3.576 -0.465 375 1HD1 LEU 51 1HD1 LEU 51 5.106 -3.581 2.008 376 2HD1 LEU 51 2HD1 LEU 51 4.320 -3.607 0.429 377 3HD1 LEU 51 3HD1 LEU 51 5.406 -2.283 0.853 378 1HD2 LEU 51 1HD2 LEU 51 8.063 -5.153 1.227 379 2HD2 LEU 51 2HD2 LEU 51 7.098 -4.257 2.402 380 3HD2 LEU 51 3HD2 LEU 51 8.181 -3.394 1.307 381 H ASN 52 H ASN 52 5.190 -3.135 -2.155 382 HA ASN 52 HA ASN 52 7.707 -3.138 -3.573 383 1HB ASN 52 2HB ASN 52 6.944 -2.771 -5.745 384 2HB ASN 52 1HB ASN 52 5.853 -4.020 -5.157 385 1HD2 ASN 52 1HD2 ASN 52 4.033 -2.688 -3.716 386 2HD2 ASN 52 2HD2 ASN 52 3.180 -1.551 -4.697 387 H CYS 53 H CYS 53 8.678 -1.259 -3.204 388 HA CYS 53 HA CYS 53 7.180 0.951 -2.101 389 1HB CYS 53 2HB CYS 53 10.133 0.885 -2.699 390 2HB CYS 53 1HB CYS 53 9.280 1.869 -1.516 391 H CYS 54 H CYS 54 7.452 3.135 -2.894 392 HA CYS 54 HA CYS 54 8.430 3.617 -5.543 393 1HB CYS 54 2HB CYS 54 6.080 4.510 -6.243 394 2HB CYS 54 1HB CYS 54 6.450 2.796 -6.429 395 H ARG 55 H ARG 55 8.374 5.753 -6.161 396 HA ARG 55 HA ARG 55 7.988 7.611 -3.931 397 1HB ARG 55 2HB ARG 55 9.928 8.517 -5.833 398 2HB ARG 55 1HB ARG 55 10.117 8.188 -4.120 399 1HG ARG 55 2HG ARG 55 10.328 5.730 -4.844 400 2HG ARG 55 1HG ARG 55 10.634 6.398 -6.451 401 1HD ARG 55 2HD ARG 55 12.230 6.722 -3.930 402 2HD ARG 55 1HD ARG 55 12.758 6.126 -5.504 403 HE ARG 55 HE ARG 55 11.931 8.740 -5.869 404 1HH1 ARG 55 1HH1 ARG 55 14.398 7.049 -4.072 405 2HH1 ARG 55 2HH1 ARG 55 15.516 8.371 -4.119 406 1HH2 ARG 55 1HH2 ARG 55 13.401 10.482 -5.932 407 2HH2 ARG 55 2HH2 ARG 55 14.951 10.320 -5.174 408 H THR 56 H THR 56 5.974 7.044 -5.864 409 HA THR 56 HA THR 56 5.894 9.611 -7.310 410 HB THR 56 HB THR 56 4.113 7.658 -8.464 411 HG1 THR 56 1HG THR 56 5.475 6.044 -7.924 412 1HG2 THR 56 1HG2 THR 56 5.690 9.753 -9.345 413 2HG2 THR 56 2HG2 THR 56 4.696 8.683 -10.334 414 3HG2 THR 56 3HG2 THR 56 6.404 8.319 -10.083 415 H ASP 57 H ASP 57 3.829 10.617 -7.507 416 HA ASP 57 HA ASP 57 2.271 10.490 -5.152 417 1HB ASP 57 2HB ASP 57 2.575 12.280 -7.260 418 2HB ASP 57 1HB ASP 57 0.902 11.732 -7.407 419 H ARG 58 H ARG 58 0.618 9.215 -4.628 420 HA ARG 58 HA ARG 58 -1.081 7.708 -4.763 421 1HB ARG 58 2HB ARG 58 -1.333 8.678 -7.617 422 2HB ARG 58 1HB ARG 58 -2.543 7.763 -6.722 423 1HG ARG 58 2HG ARG 58 -2.621 9.671 -5.088 424 2HG ARG 58 1HG ARG 58 -1.622 10.581 -6.222 425 1HD ARG 58 2HD ARG 58 -3.546 9.719 -7.889 426 2HD ARG 58 1HD ARG 58 -4.467 9.806 -6.389 427 HE ARG 58 HE ARG 58 -3.061 12.187 -6.619 428 1HH1 ARG 58 1HH1 ARG 58 -5.558 10.482 -8.360 429 2HH1 ARG 58 2HH1 ARG 58 -6.294 11.925 -8.969 430 1HH2 ARG 58 1HH2 ARG 58 -4.028 14.088 -7.418 431 2HH2 ARG 58 2HH2 ARG 58 -5.426 13.974 -8.434 432 H CYS 59 H CYS 59 1.701 7.006 -5.523 433 HA CYS 59 HA CYS 59 1.676 5.160 -7.653 434 1HB CYS 59 2HB CYS 59 3.842 4.543 -6.942 435 2HB CYS 59 1HB CYS 59 3.692 6.259 -6.573 436 H ASN 60 H ASN 60 0.661 4.954 -4.351 437 HA ASN 60 HA ASN 60 0.375 2.033 -4.579 438 1HB ASN 60 2HB ASN 60 0.104 2.066 -2.109 439 2HB ASN 60 1HB ASN 60 1.662 2.709 -2.636 440 1HD2 ASN 60 1HD2 ASN 60 1.040 3.343 -0.195 441 2HD2 ASN 60 2HD2 ASN 60 0.482 4.981 -0.054 442 H ASN 61 H ASN 61 -1.403 3.955 -5.854 443 HA ASN 61 HA ASN 61 -3.781 4.287 -4.384 444 1HB ASN 61 2HB ASN 61 -4.799 4.785 -6.560 445 2HB ASN 61 1HB ASN 61 -3.260 5.613 -6.374 446 1HD2 ASN 61 1HD2 ASN 61 -4.764 4.844 -8.777 447 2HD2 ASN 61 2HD2 ASN 61 -3.670 3.882 -9.721
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