NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9620 | 1og7 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 3H LYS 1 -13.849 3.007 5.148 2 H2 LYS 1 2H LYS 1 -12.473 3.633 4.506 3 H3 LYS 1 1H LYS 1 -13.181 4.337 5.810 4 HA LYS 1 HA LYS 1 -15.112 4.918 4.522 5 1HZ LYS 1 1HZ LYS 1 -18.150 8.412 2.968 6 2HZ LYS 1 3HZ LYS 1 -18.239 8.636 1.360 7 3HZ LYS 1 2HZ LYS 1 -18.151 7.123 1.955 8 QB LYS 1 QB LYS 1 -12.497 5.964 3.403 9 QD LYS 1 QD LYS 1 -15.823 7.786 4.063 10 QG LYS 1 QG LYS 1 -14.207 6.550 1.801 11 QE LYS 1 QE LYS 1 -15.990 7.729 1.052 12 QZ LYS 1 QZ LYS 1 -18.180 8.057 2.095 13 H TYR 2 H TYR 2 -16.362 3.575 3.378 14 HA TYR 2 HA TYR 2 -15.755 2.435 0.788 15 HD1 TYR 2 1HD TYR 2 -17.738 -0.434 1.569 16 HD2 TYR 2 2HD TYR 2 -19.210 3.245 -0.156 17 HE1 TYR 2 1HE TYR 2 -19.004 -1.725 -0.065 18 HE2 TYR 2 2HE TYR 2 -20.487 1.955 -1.809 19 HH TYR 2 HH TYR 2 -21.103 -0.143 -2.550 20 QB TYR 2 QB TYR 2 -18.294 2.921 2.358 21 QD TYR 2 QD TYR 2 -18.474 1.406 0.707 22 QE TYR 2 QE TYR 2 -19.746 0.115 -0.937 23 QR TYR 2 QR TYR 2 -19.110 0.760 -0.115 24 H TYR 3 H TYR 3 -15.548 3.680 -0.937 25 HA TYR 3 HA TYR 3 -16.876 6.352 -1.118 26 HD1 TYR 3 1HD TYR 3 -12.873 5.286 -0.893 27 HD2 TYR 3 2HD TYR 3 -15.481 8.601 -1.826 28 HE1 TYR 3 1HE TYR 3 -11.447 6.774 0.436 29 HE2 TYR 3 2HE TYR 3 -14.038 10.108 -0.475 30 HH TYR 3 HH TYR 3 -11.098 8.925 1.159 31 QB TYR 3 QB TYR 3 -15.406 6.495 -3.208 32 QD TYR 3 QD TYR 3 -14.177 6.944 -1.359 33 QE TYR 3 QE TYR 3 -12.743 8.441 -0.019 34 QR TYR 3 QR TYR 3 -13.460 7.692 -0.689 35 H GLY 4 H GLY 4 -16.987 3.186 -2.616 36 1HA GLY 4 3HA GLY 4 -18.932 4.109 -4.703 37 2HA GLY 4 2HA GLY 4 -19.262 2.707 -3.685 38 QA GLY 4 QA GLY 4 -19.262 2.707 -3.685 39 H ASN 5 H ASN 5 -19.432 2.095 -6.137 40 HA ASN 5 HA ASN 5 -18.964 0.353 -7.435 41 1HD2 ASN 5 1HD2 ASN 5 -18.815 0.652 -10.133 42 2HD2 ASN 5 2HD2 ASN 5 -17.793 -0.570 -10.889 43 QB ASN 5 QB ASN 5 -16.320 1.765 -7.870 44 QD ASN 5 QD2 ASN 5 -18.304 0.041 -10.511 45 H GLY 6 H GLY 6 -15.569 0.409 -6.476 46 1HA GLY 6 3HA GLY 6 -14.691 -1.985 -6.111 47 2HA GLY 6 2HA GLY 6 -15.968 -2.109 -4.905 48 QA GLY 6 QA GLY 6 -15.968 -2.109 -4.905 49 H VAL 7 H VAL 7 -15.009 1.096 -4.571 50 HA VAL 7 HA VAL 7 -12.418 0.699 -3.331 51 HB VAL 7 HB VAL 7 -14.139 3.179 -3.727 52 1HG1 VAL 7 3HG1 VAL 7 -11.195 2.745 -2.999 53 2HG1 VAL 7 1HG1 VAL 7 -11.970 4.319 -3.330 54 3HG1 VAL 7 2HG1 VAL 7 -12.484 3.368 -1.927 55 1HG2 VAL 7 1HG2 VAL 7 -11.823 2.087 -5.359 56 2HG2 VAL 7 2HG2 VAL 7 -13.498 2.265 -5.908 57 3HG2 VAL 7 3HG2 VAL 7 -12.534 3.705 -5.538 58 MG1 VAL 7 QG1 VAL 7 -11.883 3.477 -2.752 59 MG2 VAL 7 QG2 VAL 7 -12.619 2.686 -5.601 60 QG VAL 7 QQG VAL 7 -12.251 3.082 -4.176 61 H HIS 8 H HIS 8 -12.445 -0.161 -1.317 62 HA HIS 8 HA HIS 8 -13.935 1.290 0.826 63 HD1 HIS 8 1HD HIS 8 -16.080 0.072 -0.585 64 HD2 HIS 8 2HD HIS 8 -13.954 -3.534 -0.167 65 HE1 HIS 8 1HE HIS 8 -17.106 -1.577 -2.273 66 HE2 HIS 8 2HE HIS 8 -15.868 -3.807 -1.947 67 QB HIS 8 QB HIS 8 -14.320 -0.745 1.942 68 H CYS 9 H CYS 9 -12.116 2.764 0.718 69 HA CYS 9 HA CYS 9 -9.389 2.081 1.167 70 QB CYS 9 QB CYS 9 -9.157 4.511 1.676 71 H GLY 10 H GLY 10 -8.164 1.795 2.939 72 1HA GLY 10 3HA GLY 10 -8.048 1.179 5.323 73 2HA GLY 10 2HA GLY 10 -9.201 2.459 5.676 74 QA GLY 10 QA GLY 10 -9.201 2.459 5.676 75 H LYS 11 H LYS 11 -6.049 1.960 4.135 76 HA LYS 11 HA LYS 11 -5.212 4.742 4.643 77 1HZ LYS 11 3HZ LYS 11 -0.770 1.135 9.029 78 2HZ LYS 11 2HZ LYS 11 -2.110 0.358 9.536 79 3HZ LYS 11 1HZ LYS 11 -0.901 -0.497 8.885 80 QB LYS 11 QB LYS 11 -4.574 3.671 6.742 81 QD LYS 11 QD LYS 11 -3.435 2.014 8.119 82 QG LYS 11 QG LYS 11 -2.645 1.888 5.192 83 QE LYS 11 QE LYS 11 -1.240 0.483 6.698 84 QZ LYS 11 QZ LYS 11 -1.261 0.332 9.150 85 H HIS 12 H HIS 12 -4.257 1.651 3.305 86 HA HIS 12 HA HIS 12 -3.118 3.010 0.890 87 HD1 HIS 12 1HD HIS 12 0.451 0.942 3.500 88 HD2 HIS 12 2HD HIS 12 -3.241 -0.783 2.411 89 HE1 HIS 12 1HE HIS 12 0.333 -1.328 4.700 90 HE2 HIS 12 2HE HIS 12 -1.910 -2.358 4.053 91 QB HIS 12 QB HIS 12 -1.240 2.560 2.244 92 H SER 13 H SER 13 -5.628 1.682 1.479 93 HA SER 13 HA SER 13 -5.522 -0.947 0.093 94 HG SER 13 HG SER 13 -6.820 -0.274 3.839 95 QB SER 13 QB SER 13 -5.408 -1.335 2.386 96 H CYS 14 H CYS 14 -6.794 1.836 -0.639 97 HA CYS 14 HA CYS 14 -9.603 1.800 -1.041 98 QB CYS 14 QB CYS 14 -9.000 3.142 -3.059 99 H THR 15 H THR 15 -10.435 -0.205 -1.398 100 HA THR 15 HA THR 15 -8.979 -2.133 -2.418 101 HB THR 15 HB THR 15 -11.940 -2.584 -2.465 102 HG1 THR 15 1HG THR 15 -10.206 -2.291 -0.251 103 1HG2 THR 15 3HG2 THR 15 -10.386 -4.499 -3.000 104 2HG2 THR 15 2HG2 THR 15 -9.573 -4.267 -1.436 105 3HG2 THR 15 1HG2 THR 15 -11.260 -4.751 -1.485 106 MG THR 15 QG2 THR 15 -10.407 -4.506 -1.973 107 H VAL 16 H VAL 16 -11.713 -0.968 -4.513 108 HA VAL 16 HA VAL 16 -12.125 -1.265 -6.735 109 HB VAL 16 HB VAL 16 -9.290 -2.251 -7.227 110 1HG1 VAL 16 3HG1 VAL 16 -10.884 -2.604 -9.075 111 2HG1 VAL 16 1HG1 VAL 16 -11.221 -0.849 -9.082 112 3HG1 VAL 16 2HG1 VAL 16 -9.582 -1.454 -9.436 113 1HG2 VAL 16 1HG2 VAL 16 -10.267 0.630 -7.194 114 2HG2 VAL 16 2HG2 VAL 16 -9.031 -0.120 -6.132 115 3HG2 VAL 16 3HG2 VAL 16 -8.699 0.036 -7.831 116 MG1 VAL 16 QG1 VAL 16 -10.563 -1.636 -9.197 117 MG2 VAL 16 QG2 VAL 16 -9.333 0.182 -7.052 118 QG VAL 16 QQG VAL 16 -9.948 -0.727 -8.125 119 H ASP 17 H ASP 17 -9.889 -3.717 -6.052 120 HA ASP 17 HA ASP 17 -11.297 -5.963 -5.427 121 QB ASP 17 QB ASP 17 -12.034 -5.994 -7.879 122 H TRP 18 H TRP 18 -8.464 -4.227 -6.084 123 HA TRP 18 HA TRP 18 -6.627 -6.400 -5.395 124 HD1 TRP 18 HD TRP 18 -4.822 -5.100 -9.635 125 HE1 TRP 18 1HE TRP 18 -3.909 -2.729 -10.133 126 HE3 TRP 18 3HE TRP 18 -7.192 -2.535 -5.948 127 HZ2 TRP 18 2HZ TRP 18 -3.818 -0.189 -8.737 128 HZ3 TRP 18 3HZ TRP 18 -6.698 -0.285 -5.479 129 HH2 TRP 18 HH TRP 18 -4.956 0.995 -6.807 130 QB TRP 18 QB TRP 18 -6.885 -5.883 -7.843 131 H GLY 19 H GLY 19 -7.727 -3.872 -3.911 132 1HA GLY 19 3HA GLY 19 -6.948 -2.457 -2.260 133 2HA GLY 19 2HA GLY 19 -5.567 -2.172 -3.309 134 QA GLY 19 QA GLY 19 -5.567 -2.172 -3.309 135 H THR 20 H THR 20 -6.044 -5.448 -2.210 136 HA THR 20 HA THR 20 -4.114 -5.483 -0.055 137 HB THR 20 HB THR 20 -4.068 -7.940 -0.598 138 HG1 THR 20 1HG THR 20 -5.741 -8.588 -2.029 139 1HG2 THR 20 3HG2 THR 20 -5.656 -7.033 1.063 140 2HG2 THR 20 2HG2 THR 20 -6.843 -6.720 -0.222 141 3HG2 THR 20 1HG2 THR 20 -6.374 -8.387 0.177 142 MG THR 20 QG2 THR 20 -6.291 -7.380 0.340 143 H ALA 21 H ALA 21 -3.900 -5.762 -3.578 144 HA ALA 21 HA ALA 21 -1.125 -6.564 -3.714 145 1HB ALA 21 3HB ALA 21 -2.773 -6.819 -5.624 146 2HB ALA 21 1HB ALA 21 -2.667 -5.050 -5.858 147 3HB ALA 21 2HB ALA 21 -1.236 -6.056 -6.055 148 MB ALA 21 QB ALA 21 -2.226 -5.975 -5.845 149 H ILE 22 H ILE 22 -2.674 -3.377 -4.344 150 HA ILE 22 HA ILE 22 -0.138 -1.931 -4.377 151 HB ILE 22 HB ILE 22 -1.446 0.144 -3.973 152 1HG2 ILE 22 1HG2 ILE 22 -0.857 -0.750 -6.237 153 2HG2 ILE 22 2HG2 ILE 22 -2.371 -1.636 -6.284 154 3HG2 ILE 22 3HG2 ILE 22 -2.379 0.141 -6.256 155 1HD1 ILE 22 1HD1 ILE 22 -4.028 0.997 -4.840 156 2HD1 ILE 22 2HD1 ILE 22 -5.107 0.403 -3.550 157 3HD1 ILE 22 3HD1 ILE 22 -3.584 1.240 -3.156 158 MG ILE 22 QG2 ILE 22 -1.869 -0.748 -6.259 159 MD ILE 22 QD1 ILE 22 -4.240 0.880 -3.848 160 QG ILE 22 QG1 ILE 22 -3.394 -1.144 -2.785 161 H GLY 23 H GLY 23 -2.399 -2.555 -1.739 162 1HA GLY 23 3HA GLY 23 -2.018 -2.664 0.568 163 2HA GLY 23 2HA GLY 23 -1.069 -1.203 0.341 164 QA GLY 23 QA GLY 23 -1.069 -1.203 0.341 165 H ASN 24 H ASN 24 -0.461 -4.571 -0.778 166 HA ASN 24 HA ASN 24 1.624 -5.162 1.091 167 1HD2 ASN 24 1HD2 ASN 24 2.648 -7.453 -2.482 168 2HD2 ASN 24 2HD2 ASN 24 3.765 -8.395 -1.527 169 QB ASN 24 QB ASN 24 0.892 -6.343 -1.627 170 QD ASN 24 QD2 ASN 24 3.206 -7.924 -2.004 171 H ILE 25 H ILE 25 1.744 -4.060 -2.293 172 HA ILE 25 HA ILE 25 4.554 -3.888 -2.677 173 HB ILE 25 HB ILE 25 2.220 -2.380 -3.889 174 1HG2 ILE 25 1HG2 ILE 25 5.179 -2.274 -4.701 175 2HG2 ILE 25 2HG2 ILE 25 3.844 -1.710 -5.707 176 3HG2 ILE 25 3HG2 ILE 25 4.199 -0.913 -4.170 177 1HD1 ILE 25 2HD1 ILE 25 1.227 -3.517 -5.772 178 2HD1 ILE 25 3HD1 ILE 25 2.668 -3.314 -6.795 179 3HD1 ILE 25 1HD1 ILE 25 1.999 -4.931 -6.515 180 MG ILE 25 QG2 ILE 25 4.407 -1.632 -4.859 181 MD ILE 25 QD1 ILE 25 1.964 -3.921 -6.360 182 QG ILE 25 QG1 ILE 25 2.595 -4.929 -4.244 183 H GLY 26 H GLY 26 2.260 -1.364 -1.540 184 1HA GLY 26 3HA GLY 26 2.471 0.350 -0.073 185 2HA GLY 26 2HA GLY 26 4.017 0.703 -0.846 186 QA GLY 26 QA GLY 26 4.017 0.703 -0.846 187 H ASN 27 H ASN 27 2.902 -2.012 1.254 188 HA ASN 27 HA ASN 27 4.579 -1.091 3.435 189 1HD2 ASN 27 1HD2 ASN 27 5.523 -2.578 5.199 190 2HD2 ASN 27 2HD2 ASN 27 4.731 -2.162 6.724 191 QB ASN 27 QB ASN 27 3.622 -3.904 3.494 192 QD ASN 27 QD2 ASN 27 5.127 -2.370 5.962 193 H ASN 28 H ASN 28 5.302 -3.230 0.720 194 HA ASN 28 HA ASN 28 7.738 -4.357 1.830 195 1HD2 ASN 28 1HD2 ASN 28 4.998 -5.761 0.439 196 2HD2 ASN 28 2HD2 ASN 28 5.576 -7.406 0.741 197 QB ASN 28 QB ASN 28 8.033 -4.525 -0.838 198 QD ASN 28 QD2 ASN 28 5.287 -6.583 0.590 199 H ALA 29 H ALA 29 7.001 -1.455 -0.182 200 HA ALA 29 HA ALA 29 9.687 -0.433 -0.181 201 1HB ALA 29 3HB ALA 29 7.083 1.136 -0.091 202 2HB ALA 29 1HB ALA 29 8.668 1.772 -0.535 203 3HB ALA 29 2HB ALA 29 7.892 0.543 -1.560 204 MB ALA 29 QB ALA 29 7.881 1.150 -0.728 205 H ALA 30 H ALA 30 7.015 0.084 2.188 206 HA ALA 30 HA ALA 30 8.664 1.298 4.179 207 1HB ALA 30 2HB ALA 30 6.217 1.511 4.045 208 2HB ALA 30 3HB ALA 30 6.066 -0.183 4.628 209 3HB ALA 30 1HB ALA 30 6.803 1.030 5.661 210 MB ALA 30 QB ALA 30 6.362 0.786 4.778 211 H ALA 31 H ALA 31 8.819 -1.978 3.275 212 HA ALA 31 HA ALA 31 10.524 -2.445 5.690 213 1HB ALA 31 2HB ALA 31 9.002 -4.544 4.102 214 2HB ALA 31 3HB ALA 31 10.066 -4.804 5.502 215 3HB ALA 31 1HB ALA 31 8.548 -3.883 5.698 216 MB ALA 31 QB ALA 31 9.205 -4.410 5.101 217 H ASN 32 H ASN 32 10.929 -1.636 2.649 218 HA ASN 32 HA ASN 32 13.828 -2.267 3.017 219 1HD2 ASN 32 1HD2 ASN 32 11.492 -2.331 0.649 220 2HD2 ASN 32 2HD2 ASN 32 12.385 -2.740 -0.797 221 QB ASN 32 QB ASN 32 14.211 -0.169 1.862 222 QD ASN 32 QD2 ASN 32 11.938 -2.535 -0.074 223 H TRP 33 H TRP 33 11.352 0.090 4.075 224 HA TRP 33 HA TRP 33 11.104 1.407 5.857 225 HD1 TRP 33 HD TRP 33 12.913 0.016 9.862 226 HE1 TRP 33 1HE TRP 33 11.172 0.848 11.586 227 HE3 TRP 33 3HE TRP 33 9.328 1.882 6.632 228 HZ2 TRP 33 2HZ TRP 33 8.523 1.914 11.533 229 HZ3 TRP 33 3HZ TRP 33 7.210 2.688 7.508 230 HH2 TRP 33 HH TRP 33 6.716 2.593 9.895 231 QB TRP 33 QB TRP 33 13.199 -0.060 7.404 232 H ALA 34 H ALA 34 14.307 0.825 5.081 233 HA ALA 34 HA ALA 34 15.298 3.573 4.749 234 1HB ALA 34 1HB ALA 34 16.772 1.538 4.665 235 2HB ALA 34 2HB ALA 34 15.801 0.918 3.325 236 3HB ALA 34 3HB ALA 34 16.793 2.385 3.105 237 MB ALA 34 QB ALA 34 16.455 1.614 3.699 238 H THR 35 H THR 35 12.728 1.692 3.312 239 HA THR 35 HA THR 35 10.909 2.594 2.136 240 HB THR 35 HB THR 35 12.389 5.122 2.632 241 HG1 THR 35 1HG THR 35 11.035 5.127 4.356 242 1HG2 THR 35 1HG2 THR 35 9.464 4.593 1.811 243 2HG2 THR 35 3HG2 THR 35 10.070 6.133 2.463 244 3HG2 THR 35 2HG2 THR 35 10.617 5.567 0.891 245 MG THR 35 QG2 THR 35 10.050 5.431 1.722 246 H GLY 36 H GLY 36 11.547 1.058 0.523 247 1HA GLY 36 3HA GLY 36 11.318 2.078 -2.113 248 2HA GLY 36 2HA GLY 36 11.855 0.442 -1.699 249 QA GLY 36 QA GLY 36 11.855 0.442 -1.699 250 H GLY 37 H GLY 37 14.194 1.953 -0.204 251 1HA GLY 37 3HA GLY 37 15.971 2.449 -2.555 252 2HA GLY 37 2HA GLY 37 16.514 2.144 -0.904 253 QA GLY 37 QA GLY 37 16.514 2.144 -0.904 254 H ASN 38 H ASN 38 14.081 4.307 -0.360 255 HA ASN 38 HA ASN 38 14.963 6.791 -1.149 256 1HD2 ASN 38 2HD2 ASN 38 13.907 8.013 2.819 257 2HD2 ASN 38 1HD2 ASN 38 13.654 9.600 2.105 258 QB ASN 38 QB ASN 38 13.819 6.117 1.611 259 QD ASN 38 QD2 ASN 38 13.780 8.807 2.462 260 H ALA 39 H ALA 39 16.092 5.128 1.807 261 HA ALA 39 HA ALA 39 18.179 7.147 2.261 262 1HB ALA 39 2HB ALA 39 16.810 6.232 4.096 263 2HB ALA 39 1HB ALA 39 18.531 5.807 4.313 264 3HB ALA 39 3HB ALA 39 17.415 4.590 3.711 265 MB ALA 39 QB ALA 39 17.585 5.543 4.040 266 H GLY 40 H GLY 40 18.137 5.011 -0.105 267 1HA GLY 40 3HA GLY 40 20.969 4.323 -0.163 268 2HA GLY 40 2HA GLY 40 19.727 3.975 -1.354 269 QA GLY 40 QA GLY 40 19.727 3.975 -1.354 270 H TRP 41 H TRP 41 18.426 2.781 1.419 271 HA TRP 41 HA TRP 41 18.564 0.872 2.752 272 HD1 TRP 41 HD TRP 41 17.193 -0.770 3.667 273 HE1 TRP 41 1HE TRP 41 16.253 -3.140 4.005 274 HE3 TRP 41 3HE TRP 41 17.966 -2.650 -1.047 275 HZ2 TRP 41 2HZ TRP 41 15.965 -5.531 2.494 276 HZ3 TRP 41 3HZ TRP 41 17.496 -5.041 -1.521 277 HH2 TRP 41 HH TRP 41 16.506 -6.500 0.229 278 QB TRP 41 QB TRP 41 18.488 -0.430 0.027 279 H ASN 42 H ASN 42 20.996 1.796 2.824 280 HA ASN 42 HA ASN 42 23.142 0.216 1.938 281 1HD2 ASN 42 1HD2 ASN 42 25.398 1.586 1.693 282 2HD2 ASN 42 2HD2 ASN 42 26.726 1.274 2.807 283 QB ASN 42 QB ASN 42 23.008 2.045 4.346 284 QD ASN 42 QD2 ASN 42 26.062 1.430 2.250 285 H LYS 43 H LYS 43 23.780 -1.730 2.355 286 HA LYS 43 HA LYS 43 23.720 -2.884 5.091 287 1HZ LYS 43 3HZ LYS 43 19.433 -5.924 6.350 288 2HZ LYS 43 2HZ LYS 43 19.680 -4.355 6.666 289 3HZ LYS 43 1HZ LYS 43 18.160 -4.974 6.610 290 QB LYS 43 QB LYS 43 22.999 -5.112 4.039 291 QD LYS 43 QD LYS 43 20.715 -5.901 4.269 292 QG LYS 43 QG LYS 43 20.952 -2.868 3.971 293 QE LYS 43 QE LYS 43 18.257 -5.389 4.277 294 QZ LYS 43 QZ LYS 43 19.091 -5.084 6.542 No H/Q in entry = 294 Start of MODEL 2 1 H1 LYS 1 3H LYS 1 -22.802 4.439 1.047 2 H2 LYS 1 2H LYS 1 -23.773 3.707 -0.041 3 H3 LYS 1 1H LYS 1 -24.109 3.577 1.558 4 HA LYS 1 HA LYS 1 -22.111 2.332 1.935 5 1HZ LYS 1 2HZ LYS 1 -22.742 -2.984 2.937 6 2HZ LYS 1 1HZ LYS 1 -21.582 -3.882 2.252 7 3HZ LYS 1 3HZ LYS 1 -21.369 -2.276 2.425 8 QB LYS 1 QB LYS 1 -23.903 1.114 -0.206 9 QD LYS 1 QD LYS 1 -24.017 -1.451 -0.141 10 QG LYS 1 QG LYS 1 -22.072 -0.204 1.851 11 QE LYS 1 QE LYS 1 -21.929 -2.761 0.104 12 QZ LYS 1 QZ LYS 1 -21.898 -3.047 2.538 13 H TYR 2 H TYR 2 -19.983 2.451 1.344 14 HA TYR 2 HA TYR 2 -19.248 3.220 -1.374 15 HD1 TYR 2 1HD TYR 2 -16.340 0.889 0.240 16 HD2 TYR 2 2HD TYR 2 -18.095 3.790 2.927 17 HE1 TYR 2 1HE TYR 2 -15.482 -0.389 2.182 18 HE2 TYR 2 2HE TYR 2 -17.228 2.519 4.842 19 HH TYR 2 HH TYR 2 -16.122 0.638 5.530 20 QB TYR 2 QB TYR 2 -18.119 4.207 0.589 21 QD TYR 2 QD TYR 2 -17.218 2.340 1.584 22 QE TYR 2 QE TYR 2 -16.355 1.065 3.512 23 QR TYR 2 QR TYR 2 -16.786 1.702 2.548 24 H TYR 3 H TYR 3 -19.830 0.430 -0.053 25 HA TYR 3 HA TYR 3 -20.091 -1.663 -1.029 26 HD1 TYR 3 1HD TYR 3 -21.515 -1.950 -2.920 27 HD2 TYR 3 2HD TYR 3 -18.403 0.652 -4.398 28 HE1 TYR 3 1HE TYR 3 -23.196 -0.712 -4.211 29 HE2 TYR 3 2HE TYR 3 -20.079 1.894 -5.709 30 HH TYR 3 HH TYR 3 -23.584 1.128 -5.623 31 QB TYR 3 QB TYR 3 -18.859 -2.505 -2.939 32 QD TYR 3 QD TYR 3 -19.959 -0.649 -3.659 33 QE TYR 3 QE TYR 3 -21.637 0.591 -4.960 34 QR TYR 3 QR TYR 3 -20.798 -0.029 -4.310 35 H GLY 4 H GLY 4 -16.541 -1.516 -1.245 36 1HA GLY 4 3HA GLY 4 -16.340 -3.500 1.010 37 2HA GLY 4 2HA GLY 4 -15.221 -2.177 0.795 38 QA GLY 4 QA GLY 4 -15.221 -2.177 0.795 39 H ASN 5 H ASN 5 -13.855 -4.093 1.053 40 HA ASN 5 HA ASN 5 -12.026 -5.151 0.157 41 1HD2 ASN 5 1HD2 ASN 5 -13.818 -9.132 -0.914 42 2HD2 ASN 5 2HD2 ASN 5 -12.142 -9.699 -0.875 43 QB ASN 5 QB ASN 5 -14.370 -6.942 -0.445 44 QD ASN 5 QD2 ASN 5 -12.980 -9.416 -0.895 45 H GLY 6 H GLY 6 -11.542 -4.381 -3.319 46 1HA GLY 6 3HA GLY 6 -10.228 -2.983 -1.830 47 2HA GLY 6 2HA GLY 6 -11.432 -3.148 -0.570 48 QA GLY 6 QA GLY 6 -11.432 -3.148 -0.570 49 H VAL 7 H VAL 7 -13.500 -2.932 -2.940 50 HA VAL 7 HA VAL 7 -13.237 -0.581 -4.450 51 HB VAL 7 HB VAL 7 -15.705 -2.119 -3.589 52 1HG1 VAL 7 1HG1 VAL 7 -15.263 -0.136 -5.856 53 2HG1 VAL 7 2HG1 VAL 7 -16.718 -1.158 -5.628 54 3HG1 VAL 7 3HG1 VAL 7 -16.289 0.071 -4.425 55 1HG2 VAL 7 3HG2 VAL 7 -13.931 -2.371 -6.046 56 2HG2 VAL 7 1HG2 VAL 7 -14.162 -3.585 -4.759 57 3HG2 VAL 7 2HG2 VAL 7 -15.507 -3.200 -5.806 58 MG1 VAL 7 QG1 VAL 7 -16.090 -0.408 -5.303 59 MG2 VAL 7 QG2 VAL 7 -14.533 -3.052 -5.537 60 QG VAL 7 QQG VAL 7 -15.312 -1.730 -5.420 61 H HIS 8 H HIS 8 -13.285 1.503 -3.625 62 HA HIS 8 HA HIS 8 -15.412 2.164 -1.628 63 HD1 HIS 8 1HD HIS 8 -14.246 0.336 -0.361 64 HD2 HIS 8 2HD HIS 8 -11.108 2.980 0.568 65 HE1 HIS 8 1HE HIS 8 -12.708 -0.946 1.195 66 HE2 HIS 8 2HE HIS 8 -10.810 0.731 1.861 67 QB HIS 8 QB HIS 8 -13.903 3.820 -0.583 68 H CYS 9 H CYS 9 -16.771 2.681 -3.346 69 HA CYS 9 HA CYS 9 -16.262 5.087 -4.991 70 QB CYS 9 QB CYS 9 -18.704 4.906 -5.439 71 H GLY 10 H GLY 10 -15.657 6.660 -3.658 72 1HA GLY 10 3HA GLY 10 -17.375 7.512 -1.392 73 2HA GLY 10 2HA GLY 10 -17.004 8.667 -2.691 74 QA GLY 10 QA GLY 10 -17.004 8.667 -2.691 75 H LYS 11 H LYS 11 -15.463 6.506 -0.306 76 HA LYS 11 HA LYS 11 -13.623 8.422 0.726 77 1HZ LYS 11 2HZ LYS 11 -14.037 6.220 5.679 78 2HZ LYS 11 1HZ LYS 11 -12.422 6.126 5.708 79 3HZ LYS 11 3HZ LYS 11 -13.176 7.072 4.595 80 QB LYS 11 QB LYS 11 -12.545 6.528 1.841 81 QD LYS 11 QD LYS 11 -14.550 4.159 2.654 82 QG LYS 11 QG LYS 11 -15.564 6.181 1.752 83 QE LYS 11 QE LYS 11 -12.405 5.043 3.492 84 QZ LYS 11 QZ LYS 11 -13.212 6.473 5.327 85 H HIS 12 H HIS 12 -13.199 6.184 -1.943 86 HA HIS 12 HA HIS 12 -10.661 7.522 -2.736 87 HD1 HIS 12 1HD HIS 12 -9.318 3.564 -4.142 88 HD2 HIS 12 2HD HIS 12 -7.930 7.133 -2.434 89 HE1 HIS 12 1HE HIS 12 -6.928 3.954 -5.104 90 HE2 HIS 12 2HE HIS 12 -6.105 6.130 -4.004 91 QB HIS 12 QB HIS 12 -10.872 4.500 -2.481 92 H SER 13 H SER 13 -13.177 7.817 -3.818 93 HA SER 13 HA SER 13 -14.458 7.709 -5.761 94 HG SER 13 HG SER 13 -12.526 10.475 -6.363 95 QB SER 13 QB SER 13 -13.193 8.720 -7.594 96 H CYS 14 H CYS 14 -14.110 5.104 -5.216 97 HA CYS 14 HA CYS 14 -14.688 3.086 -6.080 98 QB CYS 14 QB CYS 14 -15.217 2.742 -8.400 99 H THR 15 H THR 15 -12.454 2.800 -5.117 100 HA THR 15 HA THR 15 -10.300 1.768 -6.653 101 HB THR 15 HB THR 15 -11.288 0.365 -4.180 102 HG1 THR 15 1HG THR 15 -10.536 1.921 -2.893 103 1HG2 THR 15 1HG2 THR 15 -8.535 1.304 -5.111 104 2HG2 THR 15 3HG2 THR 15 -8.880 0.612 -3.511 105 3HG2 THR 15 2HG2 THR 15 -9.093 -0.369 -4.953 106 MG THR 15 QG2 THR 15 -8.836 0.516 -4.525 107 H VAL 16 H VAL 16 -9.793 -0.620 -6.686 108 HA VAL 16 HA VAL 16 -12.034 -2.401 -7.566 109 HB VAL 16 HB VAL 16 -10.153 -3.742 -8.545 110 1HG1 VAL 16 2HG1 VAL 16 -11.458 -2.245 -9.950 111 2HG1 VAL 16 3HG1 VAL 16 -10.309 -0.918 -9.575 112 3HG1 VAL 16 1HG1 VAL 16 -9.754 -2.350 -10.462 113 1HG2 VAL 16 1HG2 VAL 16 -8.338 -2.671 -7.098 114 2HG2 VAL 16 2HG2 VAL 16 -7.954 -2.783 -8.840 115 3HG2 VAL 16 3HG2 VAL 16 -8.440 -1.237 -8.120 116 MG1 VAL 16 QG1 VAL 16 -10.507 -1.838 -9.995 117 MG2 VAL 16 QG2 VAL 16 -8.244 -2.230 -8.019 118 QG VAL 16 QQG VAL 16 -9.376 -2.034 -9.007 119 H ASP 17 H ASP 17 -11.261 -4.802 -7.192 120 HA ASP 17 HA ASP 17 -11.043 -5.620 -4.489 121 QB ASP 17 QB ASP 17 -10.297 -6.925 -7.105 122 H TRP 18 H TRP 18 -8.578 -4.463 -6.634 123 HA TRP 18 HA TRP 18 -6.455 -5.993 -5.580 124 HD1 TRP 18 HD TRP 18 -4.431 -4.117 -9.427 125 HE1 TRP 18 1HE TRP 18 -3.713 -1.630 -9.667 126 HE3 TRP 18 3HE TRP 18 -7.056 -2.089 -5.514 127 HZ2 TRP 18 2HZ TRP 18 -3.866 0.754 -8.054 128 HZ3 TRP 18 3HZ TRP 18 -6.545 0.085 -4.718 129 HH2 TRP 18 HH TRP 18 -4.893 1.535 -5.883 130 QB TRP 18 QB TRP 18 -6.794 -5.063 -7.932 131 H GLY 19 H GLY 19 -7.665 -3.886 -3.638 132 1HA GLY 19 3HA GLY 19 -6.819 -2.565 -1.845 133 2HA GLY 19 2HA GLY 19 -5.454 -2.180 -2.857 134 QA GLY 19 QA GLY 19 -5.454 -2.180 -2.857 135 H THR 20 H THR 20 -5.933 -5.559 -2.452 136 HA THR 20 HA THR 20 -3.977 -6.078 -0.355 137 HB THR 20 HB THR 20 -3.913 -8.366 -1.450 138 HG1 THR 20 1HG THR 20 -5.526 -8.700 -3.054 139 1HG2 THR 20 2HG2 THR 20 -5.522 -7.806 0.315 140 2HG2 THR 20 1HG2 THR 20 -6.717 -7.328 -0.911 141 3HG2 THR 20 3HG2 THR 20 -6.161 -9.015 -0.823 142 MG THR 20 QG2 THR 20 -6.133 -8.050 -0.473 143 H ALA 21 H ALA 21 -3.779 -5.797 -3.909 144 HA ALA 21 HA ALA 21 -1.051 -6.515 -4.245 145 1HB ALA 21 2HB ALA 21 -2.883 -6.377 -6.024 146 2HB ALA 21 3HB ALA 21 -2.664 -4.615 -6.011 147 3HB ALA 21 1HB ALA 21 -1.318 -5.652 -6.469 148 MB ALA 21 QB ALA 21 -2.288 -5.548 -6.168 149 H ILE 22 H ILE 22 -2.501 -3.239 -4.347 150 HA ILE 22 HA ILE 22 0.008 -1.850 -4.147 151 HB ILE 22 HB ILE 22 -1.344 0.117 -3.388 152 1HG2 ILE 22 2HG2 ILE 22 -0.715 -0.305 -5.721 153 2HG2 ILE 22 3HG2 ILE 22 -2.205 -1.253 -5.961 154 3HG2 ILE 22 1HG2 ILE 22 -2.296 0.474 -5.641 155 1HD1 ILE 22 2HD1 ILE 22 -3.881 1.143 -3.879 156 2HD1 ILE 22 3HD1 ILE 22 -4.956 0.239 -2.776 157 3HD1 ILE 22 1HD1 ILE 22 -3.438 0.891 -2.169 158 MG ILE 22 QG2 ILE 22 -1.739 -0.361 -5.774 159 MD ILE 22 QD1 ILE 22 -4.092 0.758 -2.941 160 QG ILE 22 QG1 ILE 22 -3.340 -1.525 -2.543 161 H GLY 23 H GLY 23 -2.268 -2.819 -1.669 162 1HA GLY 23 3HA GLY 23 -1.903 -3.480 0.566 163 2HA GLY 23 2HA GLY 23 -1.126 -1.901 0.719 164 QA GLY 23 QA GLY 23 -1.126 -1.901 0.719 165 H ASN 24 H ASN 24 -0.368 -5.141 -0.655 166 HA ASN 24 HA ASN 24 1.846 -5.656 1.015 167 1HD2 ASN 24 1HD2 ASN 24 -1.095 -7.419 -0.440 168 2HD2 ASN 24 2HD2 ASN 24 -1.068 -8.664 0.813 169 QB ASN 24 QB ASN 24 2.356 -7.344 -0.958 170 QD ASN 24 QD2 ASN 24 -1.081 -8.041 0.187 171 H ILE 25 H ILE 25 1.866 -4.458 -2.384 172 HA ILE 25 HA ILE 25 4.651 -4.205 -2.734 173 HB ILE 25 HB ILE 25 2.385 -2.568 -3.938 174 1HG2 ILE 25 3HG2 ILE 25 5.349 -2.676 -4.714 175 2HG2 ILE 25 1HG2 ILE 25 4.074 -1.957 -5.707 176 3HG2 ILE 25 2HG2 ILE 25 4.468 -1.247 -4.149 177 1HD1 ILE 25 1HD1 ILE 25 1.270 -3.638 -5.865 178 2HD1 ILE 25 2HD1 ILE 25 2.742 -3.370 -6.847 179 3HD1 ILE 25 3HD1 ILE 25 2.040 -4.981 -6.721 180 MG ILE 25 QG2 ILE 25 4.630 -1.960 -4.857 181 MD ILE 25 QD1 ILE 25 2.017 -3.997 -6.478 182 QG ILE 25 QG1 ILE 25 2.576 -5.135 -4.390 183 H GLY 26 H GLY 26 2.382 -1.691 -1.519 184 1HA GLY 26 3HA GLY 26 2.719 0.221 -0.300 185 2HA GLY 26 2HA GLY 26 4.339 0.292 -0.991 186 QA GLY 26 QA GLY 26 4.339 0.292 -0.991 187 H ASN 27 H ASN 27 3.388 -2.467 1.010 188 HA ASN 27 HA ASN 27 4.832 -1.292 3.335 189 1HD2 ASN 27 1HD2 ASN 27 1.499 -1.648 2.386 190 2HD2 ASN 27 2HD2 ASN 27 1.107 -0.329 3.498 191 QB ASN 27 QB ASN 27 3.785 -3.278 4.554 192 QD ASN 27 QD2 ASN 27 1.303 -0.988 2.942 193 H ASN 28 H ASN 28 5.366 -3.811 0.951 194 HA ASN 28 HA ASN 28 7.904 -4.661 2.120 195 1HD2 ASN 28 1HD2 ASN 28 8.536 -7.118 1.298 196 2HD2 ASN 28 2HD2 ASN 28 10.037 -7.127 0.376 197 QB ASN 28 QB ASN 28 7.059 -4.543 -0.795 198 QD ASN 28 QD2 ASN 28 9.286 -7.123 0.837 199 H ALA 29 H ALA 29 6.932 -2.071 -0.212 200 HA ALA 29 HA ALA 29 9.432 -0.808 -0.384 201 1HB ALA 29 3HB ALA 29 6.692 0.519 -0.367 202 2HB ALA 29 1HB ALA 29 8.180 1.202 -1.041 203 3HB ALA 29 2HB ALA 29 7.455 -0.244 -1.793 204 MB ALA 29 QB ALA 29 7.442 0.492 -1.067 205 H ALA 30 H ALA 30 6.949 -0.491 2.210 206 HA ALA 30 HA ALA 30 8.681 1.346 3.679 207 1HB ALA 30 2HB ALA 30 6.186 1.515 3.738 208 2HB ALA 30 1HB ALA 30 6.895 1.316 5.360 209 3HB ALA 30 3HB ALA 30 6.131 -0.061 4.558 210 MB ALA 30 QB ALA 30 6.404 0.923 4.552 211 H ALA 31 H ALA 31 8.750 -2.124 3.606 212 HA ALA 31 HA ALA 31 10.398 -2.168 6.057 213 1HB ALA 31 3HB ALA 31 10.418 -3.982 3.594 214 2HB ALA 31 1HB ALA 31 11.169 -4.320 5.158 215 3HB ALA 31 2HB ALA 31 9.400 -4.253 5.041 216 MB ALA 31 QB ALA 31 10.329 -4.185 4.598 217 H ASN 32 H ASN 32 10.754 -1.232 2.748 218 HA ASN 32 HA ASN 32 13.635 -0.545 3.048 219 1HD2 ASN 32 1HD2 ASN 32 11.297 -3.021 1.091 220 2HD2 ASN 32 2HD2 ASN 32 12.604 -4.190 0.947 221 QB ASN 32 QB ASN 32 13.493 -0.257 0.570 222 QD ASN 32 QD2 ASN 32 11.950 -3.605 1.019 223 H TRP 33 H TRP 33 10.801 1.044 3.709 224 HA TRP 33 HA TRP 33 10.737 3.604 2.798 225 HD1 TRP 33 HD TRP 33 8.624 4.855 6.594 226 HE1 TRP 33 1HE TRP 33 6.327 5.515 5.688 227 HE3 TRP 33 3HE TRP 33 9.006 2.945 1.840 228 HZ2 TRP 33 2HZ TRP 33 4.715 4.941 3.381 229 HZ3 TRP 33 3HZ TRP 33 7.032 2.904 0.372 230 HH2 TRP 33 HH TRP 33 4.860 3.778 1.171 231 QB TRP 33 QB TRP 33 10.747 3.836 5.684 232 H ALA 34 H ALA 34 13.035 2.500 5.166 233 HA ALA 34 HA ALA 34 14.452 5.083 5.429 234 1HB ALA 34 3HB ALA 34 15.711 3.814 7.122 235 2HB ALA 34 1HB ALA 34 13.947 3.577 7.316 236 3HB ALA 34 2HB ALA 34 14.938 2.311 6.564 237 MB ALA 34 QB ALA 34 14.865 3.234 7.001 238 H THR 35 H THR 35 14.659 2.607 3.204 239 HA THR 35 HA THR 35 17.555 3.254 2.605 240 HB THR 35 HB THR 35 16.334 0.506 2.166 241 HG1 THR 35 1HG THR 35 16.623 1.012 4.389 242 1HG2 THR 35 1HG2 THR 35 19.206 1.568 2.052 243 2HG2 THR 35 3HG2 THR 35 18.711 -0.126 1.896 244 3HG2 THR 35 2HG2 THR 35 18.225 1.041 0.666 245 MG THR 35 QG2 THR 35 18.714 0.828 1.538 246 H GLY 36 H GLY 36 15.130 1.383 0.756 247 1HA GLY 36 3HA GLY 36 14.489 1.573 -1.484 248 2HA GLY 36 2HA GLY 36 15.794 2.751 -1.731 249 QA GLY 36 QA GLY 36 15.794 2.751 -1.731 250 H GLY 37 H GLY 37 13.044 2.999 0.572 251 1HA GLY 37 3HA GLY 37 11.466 4.670 0.861 252 2HA GLY 37 2HA GLY 37 11.579 5.025 -0.858 253 QA GLY 37 QA GLY 37 11.579 5.025 -0.858 254 H ASN 38 H ASN 38 14.364 5.179 1.304 255 HA ASN 38 HA ASN 38 14.315 8.065 1.628 256 1HD2 ASN 38 1HD2 ASN 38 15.181 8.738 4.046 257 2HD2 ASN 38 2HD2 ASN 38 16.689 9.662 4.093 258 QB ASN 38 QB ASN 38 16.573 6.073 2.139 259 QD ASN 38 QD2 ASN 38 15.935 9.200 4.070 260 H ALA 39 H ALA 39 15.777 5.796 -0.667 261 HA ALA 39 HA ALA 39 17.539 7.787 -1.913 262 1HB ALA 39 2HB ALA 39 18.210 5.840 -3.307 263 2HB ALA 39 3HB ALA 39 18.261 5.473 -1.567 264 3HB ALA 39 1HB ALA 39 16.928 4.877 -2.556 265 MB ALA 39 QB ALA 39 17.800 5.397 -2.477 266 H GLY 40 H GLY 40 14.429 6.311 -2.729 267 1HA GLY 40 3HA GLY 40 14.437 7.308 -5.491 268 2HA GLY 40 2HA GLY 40 13.492 8.332 -4.427 269 QA GLY 40 QA GLY 40 13.492 8.332 -4.427 270 H TRP 41 H TRP 41 12.941 5.219 -3.273 271 HA TRP 41 HA TRP 41 11.014 4.290 -5.252 272 HD1 TRP 41 HD TRP 41 8.851 2.888 -4.916 273 HE1 TRP 41 1HE TRP 41 7.871 0.550 -4.905 274 HE3 TRP 41 3HE TRP 41 12.512 0.487 -2.222 275 HZ2 TRP 41 2HZ TRP 41 8.558 -2.051 -3.875 276 HZ3 TRP 41 3HZ TRP 41 12.290 -1.952 -1.759 277 HH2 TRP 41 HH TRP 41 10.325 -3.209 -2.534 278 QB TRP 41 QB TRP 41 11.441 3.329 -2.418 279 H ASN 42 H ASN 42 9.979 6.415 -5.295 280 HA ASN 42 HA ASN 42 8.117 7.220 -3.219 281 1HD2 ASN 42 1HD2 ASN 42 7.444 10.254 -6.528 282 2HD2 ASN 42 2HD2 ASN 42 6.300 10.926 -5.356 283 QB ASN 42 QB ASN 42 8.317 8.102 -6.137 284 QD ASN 42 QD2 ASN 42 6.872 10.590 -5.942 285 H LYS 43 H LYS 43 5.794 7.538 -3.754 286 HA LYS 43 HA LYS 43 4.359 5.099 -4.368 287 1HZ LYS 43 1HZ LYS 43 0.773 5.478 -0.399 288 2HZ LYS 43 3HZ LYS 43 -0.382 5.569 -1.539 289 3HZ LYS 43 2HZ LYS 43 1.115 5.055 -1.944 290 QB LYS 43 QB LYS 43 2.347 6.606 -4.108 291 QD LYS 43 QD LYS 43 2.671 8.466 -1.510 292 QG LYS 43 QG LYS 43 4.470 6.808 -1.907 293 QE LYS 43 QE LYS 43 0.801 7.362 -2.702 294 QZ LYS 43 QZ LYS 43 0.502 5.367 -1.294 No H/Q in entry = 294 Start of MODEL 3 1 H1 LYS 1 3H LYS 1 -17.954 -11.961 -13.995 2 H2 LYS 1 2H LYS 1 -17.026 -12.263 -12.681 3 H3 LYS 1 1H LYS 1 -18.483 -13.007 -12.873 4 HA LYS 1 HA LYS 1 -19.622 -10.855 -12.658 5 1HZ LYS 1 1HZ LYS 1 -23.177 -8.697 -9.860 6 2HZ LYS 1 3HZ LYS 1 -22.734 -7.244 -9.259 7 3HZ LYS 1 2HZ LYS 1 -22.398 -7.628 -10.811 8 QB LYS 1 QB LYS 1 -17.799 -11.635 -10.368 9 QD LYS 1 QD LYS 1 -21.438 -10.564 -10.186 10 QG LYS 1 QG LYS 1 -18.643 -9.416 -9.872 11 QE LYS 1 QE LYS 1 -20.371 -7.796 -9.503 12 QZ LYS 1 QZ LYS 1 -22.769 -7.856 -9.977 13 H TYR 2 H TYR 2 -19.064 -9.184 -14.074 14 HA TYR 2 HA TYR 2 -16.837 -7.388 -13.497 15 HD1 TYR 2 1HD TYR 2 -16.298 -5.884 -16.501 16 HD2 TYR 2 2HD TYR 2 -20.033 -5.072 -14.480 17 HE1 TYR 2 1HE TYR 2 -16.103 -3.490 -17.094 18 HE2 TYR 2 2HE TYR 2 -19.821 -2.690 -15.033 19 HH TYR 2 HH TYR 2 -17.023 -1.429 -16.928 20 QB TYR 2 QB TYR 2 -19.303 -7.417 -15.281 21 QD TYR 2 QD TYR 2 -18.165 -5.478 -15.491 22 QE TYR 2 QE TYR 2 -17.962 -3.090 -16.063 23 QR TYR 2 QR TYR 2 -18.063 -4.284 -15.777 24 H TYR 3 H TYR 3 -17.031 -5.516 -12.343 25 HA TYR 3 HA TYR 3 -19.582 -4.990 -10.832 26 HD1 TYR 3 1HD TYR 3 -16.276 -7.151 -10.026 27 HD2 TYR 3 2HD TYR 3 -19.417 -5.383 -7.644 28 HE1 TYR 3 1HE TYR 3 -16.029 -8.916 -8.371 29 HE2 TYR 3 2HE TYR 3 -19.355 -7.333 -6.121 30 HH TYR 3 HH TYR 3 -18.256 -9.236 -5.562 31 QB TYR 3 QB TYR 3 -18.067 -3.994 -9.095 32 QD TYR 3 QD TYR 3 -17.847 -6.267 -8.835 33 QE TYR 3 QE TYR 3 -17.692 -8.125 -7.246 34 QR TYR 3 QR TYR 3 -17.769 -7.196 -8.041 35 H GLY 4 H GLY 4 -16.920 -3.475 -12.670 36 1HA GLY 4 3HA GLY 4 -17.704 -0.735 -11.951 37 2HA GLY 4 2HA GLY 4 -18.079 -1.219 -13.610 38 QA GLY 4 QA GLY 4 -18.079 -1.219 -13.610 39 H ASN 5 H ASN 5 -16.574 0.799 -13.305 40 HA ASN 5 HA ASN 5 -14.673 1.646 -14.423 41 1HD2 ASN 5 1HD2 ASN 5 -14.039 4.103 -13.356 42 2HD2 ASN 5 2HD2 ASN 5 -12.305 4.334 -13.209 43 QB ASN 5 QB ASN 5 -13.880 0.931 -11.573 44 QD ASN 5 QD2 ASN 5 -13.172 4.218 -13.283 45 H GLY 6 H GLY 6 -12.631 -0.399 -12.432 46 1HA GLY 6 3HA GLY 6 -10.534 -1.189 -13.458 47 2HA GLY 6 2HA GLY 6 -11.437 -1.659 -14.885 48 QA GLY 6 QA GLY 6 -11.437 -1.659 -14.885 49 H VAL 7 H VAL 7 -13.390 -2.607 -12.294 50 HA VAL 7 HA VAL 7 -11.953 -5.012 -11.492 51 HB VAL 7 HB VAL 7 -12.585 -3.829 -9.663 52 1HG1 VAL 7 2HG1 VAL 7 -15.308 -3.282 -10.873 53 2HG1 VAL 7 3HG1 VAL 7 -14.919 -3.065 -9.137 54 3HG1 VAL 7 1HG1 VAL 7 -14.067 -2.138 -10.386 55 1HG2 VAL 7 1HG2 VAL 7 -13.005 -6.173 -9.486 56 2HG2 VAL 7 2HG2 VAL 7 -14.133 -5.222 -8.465 57 3HG2 VAL 7 3HG2 VAL 7 -14.686 -5.884 -10.026 58 MG1 VAL 7 QG1 VAL 7 -14.765 -2.828 -10.132 59 MG2 VAL 7 QG2 VAL 7 -13.941 -5.760 -9.326 60 QG VAL 7 QQG VAL 7 -14.353 -4.294 -9.729 61 H HIS 8 H HIS 8 -12.164 -6.613 -12.740 62 HA HIS 8 HA HIS 8 -14.707 -7.346 -14.101 63 HD1 HIS 8 1HD HIS 8 -14.620 -4.871 -14.750 64 HD2 HIS 8 2HD HIS 8 -11.163 -5.607 -17.036 65 HE1 HIS 8 1HE HIS 8 -13.969 -2.624 -15.879 66 HE2 HIS 8 2HE HIS 8 -11.903 -3.120 -17.293 67 QB HIS 8 QB HIS 8 -13.440 -7.751 -16.105 68 H CYS 9 H CYS 9 -14.517 -8.565 -11.898 69 HA CYS 9 HA CYS 9 -12.615 -10.484 -11.320 70 QB CYS 9 QB CYS 9 -15.488 -10.608 -10.357 71 H GLY 10 H GLY 10 -12.067 -12.216 -12.337 72 1HA GLY 10 3HA GLY 10 -13.847 -13.778 -14.098 73 2HA GLY 10 2HA GLY 10 -13.395 -14.615 -12.627 74 QA GLY 10 QA GLY 10 -13.395 -14.615 -12.627 75 H LYS 11 H LYS 11 -11.148 -12.463 -14.276 76 HA LYS 11 HA LYS 11 -9.728 -14.365 -15.869 77 1HZ LYS 11 3HZ LYS 11 -5.716 -10.185 -18.855 78 2HZ LYS 11 2HZ LYS 11 -4.745 -10.036 -17.544 79 3HZ LYS 11 1HZ LYS 11 -4.284 -10.942 -18.803 80 QB LYS 11 QB LYS 11 -8.644 -11.823 -14.589 81 QD LYS 11 QD LYS 11 -6.684 -10.812 -16.040 82 QG LYS 11 QG LYS 11 -7.767 -13.498 -17.003 83 QE LYS 11 QE LYS 11 -5.991 -12.587 -18.437 84 QZ LYS 11 QZ LYS 11 -4.915 -10.388 -18.401 85 H HIS 12 H HIS 12 -8.794 -13.149 -12.714 86 HA HIS 12 HA HIS 12 -7.854 -15.827 -11.823 87 HD1 HIS 12 1HD HIS 12 -6.588 -16.255 -13.876 88 HD2 HIS 12 2HD HIS 12 -3.347 -14.434 -11.874 89 HE1 HIS 12 1HE HIS 12 -4.445 -17.151 -14.969 90 HE2 HIS 12 2HE HIS 12 -2.479 -16.020 -13.742 91 QB HIS 12 QB HIS 12 -5.915 -14.522 -10.642 92 H SER 13 H SER 13 -8.165 -12.462 -10.800 93 HA SER 13 HA SER 13 -9.923 -13.177 -8.498 94 HG SER 13 HG SER 13 -6.778 -12.903 -6.833 95 QB SER 13 QB SER 13 -8.635 -11.634 -7.028 96 H CYS 14 H CYS 14 -10.662 -10.948 -7.469 97 HA CYS 14 HA CYS 14 -12.116 -9.433 -9.495 98 QB CYS 14 QB CYS 14 -12.823 -8.071 -7.578 99 H THR 15 H THR 15 -10.979 -8.441 -10.873 100 HA THR 15 HA THR 15 -8.441 -7.776 -10.899 101 HB THR 15 HB THR 15 -10.322 -6.002 -12.429 102 HG1 THR 15 1HG THR 15 -9.896 -8.738 -12.937 103 1HG2 THR 15 3HG2 THR 15 -7.846 -7.557 -13.318 104 2HG2 THR 15 2HG2 THR 15 -8.847 -6.510 -14.334 105 3HG2 THR 15 1HG2 THR 15 -7.921 -5.810 -12.996 106 MG THR 15 QG2 THR 15 -8.205 -6.626 -13.549 107 H VAL 16 H VAL 16 -10.857 -5.414 -9.839 108 HA VAL 16 HA VAL 16 -8.812 -4.585 -8.117 109 HB VAL 16 HB VAL 16 -8.135 -2.900 -9.500 110 1HG1 VAL 16 1HG1 VAL 16 -11.006 -2.047 -9.822 111 2HG1 VAL 16 2HG1 VAL 16 -9.568 -1.173 -10.466 112 3HG1 VAL 16 3HG1 VAL 16 -9.953 -2.810 -11.049 113 1HG2 VAL 16 3HG2 VAL 16 -8.694 -2.217 -7.039 114 2HG2 VAL 16 1HG2 VAL 16 -8.183 -1.014 -8.234 115 3HG2 VAL 16 2HG2 VAL 16 -9.892 -1.153 -7.797 116 MG1 VAL 16 QG1 VAL 16 -10.176 -2.010 -10.446 117 MG2 VAL 16 QG2 VAL 16 -8.923 -1.461 -7.690 118 QG VAL 16 QQG VAL 16 -9.549 -1.736 -9.068 119 H ASP 17 H ASP 17 -10.283 -5.991 -7.076 120 HA ASP 17 HA ASP 17 -11.393 -4.171 -4.993 121 QB ASP 17 QB ASP 17 -10.896 -7.186 -4.949 122 H TRP 18 H TRP 18 -8.716 -4.302 -6.485 123 HA TRP 18 HA TRP 18 -6.991 -5.926 -5.100 124 HD1 TRP 18 HD TRP 18 -4.618 -4.935 -9.117 125 HE1 TRP 18 1HE TRP 18 -3.635 -2.638 -9.696 126 HE3 TRP 18 3HE TRP 18 -7.078 -2.118 -5.628 127 HZ2 TRP 18 2HZ TRP 18 -3.810 0.076 -8.641 128 HZ3 TRP 18 3HZ TRP 18 -6.536 0.144 -5.284 129 HH2 TRP 18 HH TRP 18 -4.884 1.313 -6.698 130 QB TRP 18 QB TRP 18 -7.051 -5.486 -7.535 131 H GLY 19 H GLY 19 -7.774 -3.557 -3.408 132 1HA GLY 19 3HA GLY 19 -6.811 -1.983 -1.938 133 2HA GLY 19 2HA GLY 19 -5.468 -1.875 -3.022 134 QA GLY 19 QA GLY 19 -5.468 -1.875 -3.022 135 H THR 20 H THR 20 -6.135 -5.092 -2.080 136 HA THR 20 HA THR 20 -4.138 -5.481 0.003 137 HB THR 20 HB THR 20 -4.267 -7.891 -0.777 138 HG1 THR 20 1HG THR 20 -5.994 -8.323 -2.228 139 1HG2 THR 20 2HG2 THR 20 -6.924 -6.529 -0.103 140 2HG2 THR 20 1HG2 THR 20 -6.591 -8.266 0.034 141 3HG2 THR 20 3HG2 THR 20 -5.717 -7.125 1.059 142 MG THR 20 QG2 THR 20 -6.410 -7.307 0.330 143 H ALA 21 H ALA 21 -4.083 -5.586 -3.549 144 HA ALA 21 HA ALA 21 -1.433 -6.607 -3.847 145 1HB ALA 21 3HB ALA 21 -3.226 -6.674 -5.577 146 2HB ALA 21 1HB ALA 21 -3.055 -4.914 -5.811 147 3HB ALA 21 2HB ALA 21 -1.699 -6.000 -6.193 148 MB ALA 21 QB ALA 21 -2.660 -5.862 -5.860 149 H ILE 22 H ILE 22 -2.651 -3.288 -4.426 150 HA ILE 22 HA ILE 22 -0.038 -2.074 -4.498 151 HB ILE 22 HB ILE 22 -1.254 0.097 -3.970 152 1HG2 ILE 22 2HG2 ILE 22 -0.706 -0.647 -6.261 153 2HG2 ILE 22 3HG2 ILE 22 -2.212 -1.585 -6.313 154 3HG2 ILE 22 1HG2 ILE 22 -2.271 0.189 -6.245 155 1HD1 ILE 22 2HD1 ILE 22 -3.727 1.168 -4.625 156 2HD1 ILE 22 3HD1 ILE 22 -4.880 0.541 -3.428 157 3HD1 ILE 22 1HD1 ILE 22 -3.321 1.164 -2.891 158 MG ILE 22 QG2 ILE 22 -1.730 -0.681 -6.273 159 MD ILE 22 QD1 ILE 22 -3.976 0.958 -3.648 160 QG ILE 22 QG1 ILE 22 -3.296 -1.240 -2.863 161 H GLY 23 H GLY 23 -2.289 -2.421 -1.820 162 1HA GLY 23 3HA GLY 23 -1.944 -2.691 0.456 163 2HA GLY 23 2HA GLY 23 -0.928 -1.262 0.344 164 QA GLY 23 QA GLY 23 -0.928 -1.262 0.344 165 H ASN 24 H ASN 24 -0.632 -4.704 -0.662 166 HA ASN 24 HA ASN 24 1.531 -5.395 1.013 167 1HD2 ASN 24 1HD2 ASN 24 1.625 -8.203 1.318 168 2HD2 ASN 24 2HD2 ASN 24 3.025 -9.001 0.591 169 QB ASN 24 QB ASN 24 0.615 -6.544 -1.653 170 QD ASN 24 QD2 ASN 24 2.325 -8.602 0.955 171 H ILE 25 H ILE 25 1.689 -4.354 -2.442 172 HA ILE 25 HA ILE 25 4.508 -4.415 -2.713 173 HB ILE 25 HB ILE 25 2.433 -2.627 -4.031 174 1HG2 ILE 25 1HG2 ILE 25 5.375 -3.069 -4.754 175 2HG2 ILE 25 2HG2 ILE 25 4.178 -2.214 -5.771 176 3HG2 ILE 25 3HG2 ILE 25 4.677 -1.542 -4.221 177 1HD1 ILE 25 3HD1 ILE 25 1.269 -3.691 -6.015 178 2HD1 ILE 25 1HD1 ILE 25 2.793 -3.567 -6.897 179 3HD1 ILE 25 2HD1 ILE 25 1.967 -5.138 -6.734 180 MG ILE 25 QG2 ILE 25 4.743 -2.275 -4.916 181 MD ILE 25 QD1 ILE 25 2.010 -4.132 -6.549 182 QG ILE 25 QG1 ILE 25 2.368 -5.199 -4.375 183 H GLY 26 H GLY 26 2.461 -1.694 -1.626 184 1HA GLY 26 3HA GLY 26 2.921 0.190 -0.385 185 2HA GLY 26 2HA GLY 26 4.580 0.130 -1.002 186 QA GLY 26 QA GLY 26 4.580 0.130 -1.002 187 H ASN 27 H ASN 27 3.447 -2.605 0.870 188 HA ASN 27 HA ASN 27 4.905 -1.569 3.258 189 1HD2 ASN 27 1HD2 ASN 27 1.661 -1.324 2.249 190 2HD2 ASN 27 2HD2 ASN 27 1.600 0.099 3.298 191 QB ASN 27 QB ASN 27 3.513 -3.331 4.494 192 QD ASN 27 QD2 ASN 27 1.631 -0.612 2.773 193 H ASN 28 H ASN 28 5.134 -4.136 0.960 194 HA ASN 28 HA ASN 28 7.579 -5.250 2.030 195 1HD2 ASN 28 1HD2 ASN 28 8.453 -4.370 -2.076 196 2HD2 ASN 28 2HD2 ASN 28 9.862 -5.411 -1.998 197 QB ASN 28 QB ASN 28 6.603 -4.675 -0.814 198 QD ASN 28 QD2 ASN 28 9.157 -4.890 -2.037 199 H ALA 29 H ALA 29 6.871 -2.323 0.003 200 HA ALA 29 HA ALA 29 9.452 -1.203 0.263 201 1HB ALA 29 3HB ALA 29 6.848 0.312 -0.073 202 2HB ALA 29 1HB ALA 29 8.469 0.853 -0.516 203 3HB ALA 29 2HB ALA 29 7.724 -0.511 -1.384 204 MB ALA 29 QB ALA 29 7.680 0.218 -0.658 205 H ALA 30 H ALA 30 6.677 -1.001 2.602 206 HA ALA 30 HA ALA 30 8.188 0.745 4.385 207 1HB ALA 30 3HB ALA 30 5.654 0.582 4.330 208 2HB ALA 30 1HB ALA 30 5.827 -1.013 5.111 209 3HB ALA 30 2HB ALA 30 6.388 0.462 5.934 210 MB ALA 30 QB ALA 30 5.956 0.010 5.125 211 H ALA 31 H ALA 31 8.547 -2.688 3.911 212 HA ALA 31 HA ALA 31 10.193 -2.919 6.344 213 1HB ALA 31 1HB ALA 31 11.180 -4.865 5.274 214 2HB ALA 31 3HB ALA 31 10.458 -4.441 3.721 215 3HB ALA 31 2HB ALA 31 9.430 -4.925 5.099 216 MB ALA 31 QB ALA 31 10.356 -4.743 4.698 217 H ASN 32 H ASN 32 10.694 -1.899 2.946 218 HA ASN 32 HA ASN 32 13.491 -1.233 3.244 219 1HD2 ASN 32 1HD2 ASN 32 14.543 -2.322 0.854 220 2HD2 ASN 32 2HD2 ASN 32 15.506 -1.087 0.082 221 QB ASN 32 QB ASN 32 11.702 -0.139 1.073 222 QD ASN 32 QD2 ASN 32 15.024 -1.704 0.468 223 H TRP 33 H TRP 33 10.624 0.668 4.014 224 HA TRP 33 HA TRP 33 11.347 3.278 4.224 225 HD1 TRP 33 HD TRP 33 7.965 3.407 7.326 226 HE1 TRP 33 1HE TRP 33 5.887 4.067 5.948 227 HE3 TRP 33 3HE TRP 33 9.899 2.698 2.704 228 HZ2 TRP 33 2HZ TRP 33 5.088 3.949 3.179 229 HZ3 TRP 33 3HZ TRP 33 8.444 2.876 0.684 230 HH2 TRP 33 HH TRP 33 6.073 3.453 0.912 231 QB TRP 33 QB TRP 33 10.423 3.032 6.747 232 H ALA 34 H ALA 34 12.303 0.743 6.445 233 HA ALA 34 HA ALA 34 14.243 2.443 7.979 234 1HB ALA 34 2HB ALA 34 11.906 2.611 8.797 235 2HB ALA 34 1HB ALA 34 12.935 1.814 9.974 236 3HB ALA 34 3HB ALA 34 11.815 0.855 8.920 237 MB ALA 34 QB ALA 34 12.219 1.760 9.230 238 H THR 35 H THR 35 13.467 -0.804 6.889 239 HA THR 35 HA THR 35 15.720 -1.938 8.503 240 HB THR 35 HB THR 35 13.597 -3.455 6.981 241 HG1 THR 35 1HG THR 35 12.730 -2.289 8.788 242 1HG2 THR 35 2HG2 THR 35 15.633 -4.317 9.093 243 2HG2 THR 35 1HG2 THR 35 14.293 -5.312 8.498 244 3HG2 THR 35 3HG2 THR 35 15.563 -4.820 7.379 245 MG THR 35 QG2 THR 35 15.163 -4.816 8.324 246 H GLY 36 H GLY 36 14.430 -1.779 5.199 247 1HA GLY 36 3HA GLY 36 15.475 -2.364 3.131 248 2HA GLY 36 2HA GLY 36 16.819 -3.016 4.035 249 QA GLY 36 QA GLY 36 16.819 -3.016 4.035 250 H GLY 37 H GLY 37 15.324 0.218 3.478 251 1HA GLY 37 3HA GLY 37 16.199 2.284 3.013 252 2HA GLY 37 2HA GLY 37 17.433 1.436 2.111 253 QA GLY 37 QA GLY 37 17.433 1.436 2.111 254 H ASN 38 H ASN 38 16.859 1.178 5.571 255 HA ASN 38 HA ASN 38 18.785 3.045 6.591 256 1HD2 ASN 38 1HD2 ASN 38 18.309 3.831 9.049 257 2HD2 ASN 38 2HD2 ASN 38 19.404 3.310 10.307 258 QB ASN 38 QB ASN 38 17.782 0.464 7.823 259 QD ASN 38 QD2 ASN 38 18.857 3.570 9.678 260 H ALA 39 H ALA 39 19.264 -0.253 5.386 261 HA ALA 39 HA ALA 39 22.030 -0.550 6.293 262 1HB ALA 39 2HB ALA 39 20.460 -2.138 4.239 263 2HB ALA 39 3HB ALA 39 21.935 -2.613 5.094 264 3HB ALA 39 1HB ALA 39 20.428 -2.417 5.994 265 MB ALA 39 QB ALA 39 20.941 -2.390 5.109 266 H GLY 40 H GLY 40 20.742 1.478 3.911 267 1HA GLY 40 3HA GLY 40 23.224 1.695 2.377 268 2HA GLY 40 2HA GLY 40 21.724 2.604 2.128 269 QA GLY 40 QA GLY 40 21.724 2.604 2.128 270 H TRP 41 H TRP 41 19.847 1.035 1.450 271 HA TRP 41 HA TRP 41 20.295 -1.385 0.079 272 HD1 TRP 41 HD TRP 41 17.012 -0.496 -2.596 273 HE1 TRP 41 1HE TRP 41 16.073 -2.847 -3.154 274 HE3 TRP 41 3HE TRP 41 18.671 -3.040 1.529 275 HZ2 TRP 41 2HZ TRP 41 15.970 -5.443 -1.913 276 HZ3 TRP 41 3HZ TRP 41 18.055 -5.436 1.859 277 HH2 TRP 41 HH TRP 41 16.729 -6.612 0.163 278 QB TRP 41 QB TRP 41 18.095 0.613 -0.524 279 H ASN 42 H ASN 42 20.115 -1.980 -2.136 280 HA ASN 42 HA ASN 42 20.952 -0.045 -4.215 281 1HD2 ASN 42 1HD2 ASN 42 22.531 -3.812 -4.885 282 2HD2 ASN 42 2HD2 ASN 42 22.943 -4.756 -3.462 283 QB ASN 42 QB ASN 42 23.031 -0.683 -3.145 284 QD ASN 42 QD2 ASN 42 22.737 -4.284 -4.174 285 H LYS 43 H LYS 43 21.231 -1.053 -6.328 286 HA LYS 43 HA LYS 43 19.147 -2.918 -7.194 287 1HZ LYS 43 1HZ LYS 43 15.866 -1.914 -8.937 288 2HZ LYS 43 3HZ LYS 43 15.932 -0.732 -10.067 289 3HZ LYS 43 2HZ LYS 43 15.860 -2.286 -10.524 290 QB LYS 43 QB LYS 43 20.285 -2.758 -9.371 291 QD LYS 43 QD LYS 43 17.918 0.235 -8.984 292 QG LYS 43 QG LYS 43 20.165 -0.372 -9.831 293 QE LYS 43 QE LYS 43 18.073 -2.729 -9.667 294 QZ LYS 43 QZ LYS 43 15.886 -1.644 -9.843 No H/Q in entry = 294 Start of MODEL 4 1 H1 LYS 1 1H LYS 1 -23.885 0.861 -16.155 2 H2 LYS 1 3H LYS 1 -24.742 0.609 -14.764 3 H3 LYS 1 2H LYS 1 -24.445 2.125 -15.303 4 HA LYS 1 HA LYS 1 -23.012 1.688 -13.451 5 1HZ LYS 1 3HZ LYS 1 -22.207 -5.022 -12.434 6 2HZ LYS 1 2HZ LYS 1 -21.625 -4.300 -11.115 7 3HZ LYS 1 1HZ LYS 1 -23.068 -5.086 -11.046 8 QB LYS 1 QB LYS 1 -21.184 -0.039 -13.771 9 QD LYS 1 QD LYS 1 -21.341 -2.154 -12.432 10 QG LYS 1 QG LYS 1 -23.975 -1.233 -13.622 11 QE LYS 1 QE LYS 1 -24.107 -3.434 -12.493 12 QZ LYS 1 QZ LYS 1 -22.300 -4.802 -11.532 13 H TYR 2 H TYR 2 -20.803 2.351 -13.342 14 HA TYR 2 HA TYR 2 -19.579 3.849 -15.544 15 HD1 TYR 2 1HD TYR 2 -17.518 4.781 -11.506 16 HD2 TYR 2 2HD TYR 2 -16.847 3.700 -15.647 17 HE1 TYR 2 1HE TYR 2 -15.105 5.251 -11.251 18 HE2 TYR 2 2HE TYR 2 -14.485 4.217 -15.390 19 HH TYR 2 HH TYR 2 -12.820 4.879 -13.976 20 QB TYR 2 QB TYR 2 -18.904 3.103 -12.687 21 QD TYR 2 QD TYR 2 -17.182 4.241 -13.576 22 QE TYR 2 QE TYR 2 -14.795 4.734 -13.320 23 QR TYR 2 QR TYR 2 -15.989 4.487 -13.448 24 H TYR 3 H TYR 3 -17.832 1.830 -13.697 25 HA TYR 3 HA TYR 3 -16.108 0.954 -15.666 26 HD1 TYR 3 1HD TYR 3 -18.078 -0.826 -12.545 27 HD2 TYR 3 2HD TYR 3 -14.961 2.075 -11.709 28 HE1 TYR 3 1HE TYR 3 -19.351 -0.035 -10.581 29 HE2 TYR 3 2HE TYR 3 -16.315 2.922 -9.831 30 HH TYR 3 HH TYR 3 -19.452 1.481 -8.901 31 QB TYR 3 QB TYR 3 -14.922 0.832 -13.792 32 QD TYR 3 QD TYR 3 -16.519 0.625 -12.127 33 QE TYR 3 QE TYR 3 -17.833 1.443 -10.206 34 QR TYR 3 QR TYR 3 -17.176 1.034 -11.166 35 H GLY 4 H GLY 4 -16.911 -2.378 -16.773 36 1HA GLY 4 3HA GLY 4 -14.695 -0.400 -16.311 37 2HA GLY 4 2HA GLY 4 -15.201 -0.819 -17.922 38 QA GLY 4 QA GLY 4 -15.201 -0.819 -17.922 39 H ASN 5 H ASN 5 -13.804 -1.795 -14.946 40 HA ASN 5 HA ASN 5 -13.634 -4.651 -15.444 41 1HD2 ASN 5 1HD2 ASN 5 -9.415 -4.351 -13.945 42 2HD2 ASN 5 2HD2 ASN 5 -9.542 -6.110 -13.766 43 QB ASN 5 QB ASN 5 -11.104 -3.099 -14.705 44 QD ASN 5 QD2 ASN 5 -9.479 -5.230 -13.856 45 H GLY 6 H GLY 6 -12.532 -2.165 -13.126 46 1HA GLY 6 3HA GLY 6 -13.188 -3.255 -10.671 47 2HA GLY 6 2HA GLY 6 -14.752 -2.704 -11.315 48 QA GLY 6 QA GLY 6 -14.752 -2.704 -11.315 49 H VAL 7 H VAL 7 -13.358 -0.409 -12.681 50 HA VAL 7 HA VAL 7 -11.245 0.552 -11.438 51 HB VAL 7 HB VAL 7 -13.082 2.232 -13.157 52 1HG1 VAL 7 2HG1 VAL 7 -10.072 2.185 -12.641 53 2HG1 VAL 7 3HG1 VAL 7 -10.897 3.219 -13.838 54 3HG1 VAL 7 1HG1 VAL 7 -11.195 3.446 -12.088 55 1HG2 VAL 7 1HG2 VAL 7 -10.975 0.104 -13.809 56 2HG2 VAL 7 2HG2 VAL 7 -12.663 0.147 -14.353 57 3HG2 VAL 7 3HG2 VAL 7 -11.517 1.308 -14.979 58 MG1 VAL 7 QG1 VAL 7 -10.721 2.950 -12.856 59 MG2 VAL 7 QG2 VAL 7 -11.719 0.520 -14.380 60 QG VAL 7 QQG VAL 7 -11.220 1.735 -13.618 61 H HIS 8 H HIS 8 -13.585 3.262 -11.233 62 HA HIS 8 HA HIS 8 -14.462 4.342 -9.369 63 HD1 HIS 8 1HD HIS 8 -13.424 0.701 -8.432 64 HD2 HIS 8 2HD HIS 8 -16.019 3.489 -6.645 65 HE1 HIS 8 1HE HIS 8 -15.707 -0.304 -8.526 66 HE2 HIS 8 2HE HIS 8 -17.288 1.277 -7.168 67 QB HIS 8 QB HIS 8 -13.549 4.267 -7.085 68 H CYS 9 H CYS 9 -12.499 5.254 -11.360 69 HA CYS 9 HA CYS 9 -10.778 7.173 -10.093 70 QB CYS 9 QB CYS 9 -10.792 8.272 -12.221 71 H GLY 10 H GLY 10 -11.113 9.226 -9.387 72 1HA GLY 10 3HA GLY 10 -13.676 10.667 -9.424 73 2HA GLY 10 2HA GLY 10 -12.242 11.093 -8.527 74 QA GLY 10 QA GLY 10 -12.242 11.093 -8.527 75 H LYS 11 H LYS 11 -14.415 8.266 -8.525 76 HA LYS 11 HA LYS 11 -15.698 8.803 -6.057 77 1HZ LYS 11 3HZ LYS 11 -19.224 3.866 -8.544 78 2HZ LYS 11 2HZ LYS 11 -20.391 4.276 -7.476 79 3HZ LYS 11 1HZ LYS 11 -20.254 5.068 -8.905 80 QB LYS 11 QB LYS 11 -16.472 6.435 -6.168 81 QD LYS 11 QD LYS 11 -17.185 5.412 -8.894 82 QG LYS 11 QG LYS 11 -16.491 7.845 -8.875 83 QE LYS 11 QE LYS 11 -19.443 6.479 -7.151 84 QZ LYS 11 QZ LYS 11 -19.956 4.403 -8.308 85 H HIS 12 H HIS 12 -13.101 6.480 -6.681 86 HA HIS 12 HA HIS 12 -11.761 6.962 -4.147 87 HD1 HIS 12 1HD HIS 12 -10.215 3.419 -3.746 88 HD2 HIS 12 2HD HIS 12 -12.666 5.613 -1.105 89 HE1 HIS 12 1HE HIS 12 -9.168 3.191 -1.423 90 HE2 HIS 12 2HE HIS 12 -10.654 4.512 0.188 91 QB HIS 12 QB HIS 12 -12.795 4.108 -4.571 92 H SER 13 H SER 13 -10.475 7.691 -6.085 93 HA SER 13 HA SER 13 -8.729 7.512 -7.533 94 HG SER 13 HG SER 13 -7.162 7.991 -4.430 95 QB SER 13 QB SER 13 -6.755 6.777 -6.338 96 H CYS 14 H CYS 14 -10.462 5.598 -8.491 97 HA CYS 14 HA CYS 14 -10.585 3.773 -9.973 98 QB CYS 14 QB CYS 14 -8.774 3.547 -11.497 99 H THR 15 H THR 15 -10.116 3.166 -7.123 100 HA THR 15 HA THR 15 -8.459 0.839 -6.860 101 HB THR 15 HB THR 15 -10.841 1.736 -5.174 102 HG1 THR 15 1HG THR 15 -8.764 2.969 -5.445 103 1HG2 THR 15 2HG2 THR 15 -8.680 -0.388 -4.696 104 2HG2 THR 15 1HG2 THR 15 -9.691 0.299 -3.419 105 3HG2 THR 15 3HG2 THR 15 -10.438 -0.632 -4.715 106 MG THR 15 QG2 THR 15 -9.603 -0.240 -4.276 107 H VAL 16 H VAL 16 -8.760 -0.596 -8.417 108 HA VAL 16 HA VAL 16 -11.020 -1.685 -9.577 109 HB VAL 16 HB VAL 16 -8.543 -3.321 -9.042 110 1HG1 VAL 16 3HG1 VAL 16 -10.480 -3.158 -11.399 111 2HG1 VAL 16 1HG1 VAL 16 -8.942 -4.090 -11.375 112 3HG1 VAL 16 2HG1 VAL 16 -10.234 -4.529 -10.263 113 1HG2 VAL 16 1HG2 VAL 16 -8.861 -1.159 -11.190 114 2HG2 VAL 16 2HG2 VAL 16 -7.724 -1.103 -9.801 115 3HG2 VAL 16 3HG2 VAL 16 -7.511 -2.313 -11.041 116 MG1 VAL 16 QG1 VAL 16 -9.885 -3.926 -11.012 117 MG2 VAL 16 QG2 VAL 16 -8.032 -1.525 -10.677 118 QG VAL 16 QQG VAL 16 -8.959 -2.725 -10.845 119 H ASP 17 H ASP 17 -9.901 -2.231 -6.481 120 HA ASP 17 HA ASP 17 -11.181 -3.224 -4.654 121 QB ASP 17 QB ASP 17 -11.438 -5.675 -6.443 122 H TRP 18 H TRP 18 -8.707 -4.394 -6.707 123 HA TRP 18 HA TRP 18 -7.109 -5.951 -4.976 124 HD1 TRP 18 HD TRP 18 -5.019 -5.452 -9.317 125 HE1 TRP 18 1HE TRP 18 -4.274 -3.199 -10.306 126 HE3 TRP 18 3HE TRP 18 -7.490 -2.278 -6.103 127 HZ2 TRP 18 2HZ TRP 18 -4.211 -0.467 -9.389 128 HZ3 TRP 18 3HZ TRP 18 -6.722 -0.035 -5.877 129 HH2 TRP 18 HH TRP 18 -5.010 0.928 -7.413 130 QB TRP 18 QB TRP 18 -7.136 -5.945 -7.427 131 H GLY 19 H GLY 19 -7.857 -3.388 -3.742 132 1HA GLY 19 3HA GLY 19 -6.950 -1.731 -2.321 133 2HA GLY 19 2HA GLY 19 -5.599 -1.617 -3.426 134 QA GLY 19 QA GLY 19 -5.599 -1.617 -3.426 135 H THR 20 H THR 20 -6.298 -4.733 -2.068 136 HA THR 20 HA THR 20 -4.402 -4.797 0.121 137 HB THR 20 HB THR 20 -4.710 -7.332 -0.224 138 HG1 THR 20 1HG THR 20 -6.469 -7.860 -1.562 139 1HG2 THR 20 3HG2 THR 20 -6.080 -6.018 1.397 140 2HG2 THR 20 2HG2 THR 20 -7.263 -5.708 0.113 141 3HG2 THR 20 1HG2 THR 20 -6.980 -7.361 0.677 142 MG THR 20 QG2 THR 20 -6.774 -6.362 0.729 143 H ALA 21 H ALA 21 -4.240 -5.529 -3.349 144 HA ALA 21 HA ALA 21 -1.626 -6.687 -3.405 145 1HB ALA 21 2HB ALA 21 -3.277 -6.736 -5.348 146 2HB ALA 21 3HB ALA 21 -2.931 -5.018 -5.627 147 3HB ALA 21 1HB ALA 21 -1.650 -6.189 -5.769 148 MB ALA 21 QB ALA 21 -2.619 -5.981 -5.581 149 H ILE 22 H ILE 22 -2.704 -3.306 -4.139 150 HA ILE 22 HA ILE 22 -0.113 -2.209 -4.045 151 HB ILE 22 HB ILE 22 -2.043 -0.194 -3.257 152 1HG2 ILE 22 1HG2 ILE 22 -0.490 -0.793 -5.784 153 2HG2 ILE 22 2HG2 ILE 22 -1.292 0.754 -5.438 154 3HG2 ILE 22 3HG2 ILE 22 0.062 0.194 -4.414 155 1HD1 ILE 22 1HD1 ILE 22 -2.097 -2.613 -6.153 156 2HD1 ILE 22 2HD1 ILE 22 -3.820 -2.347 -6.489 157 3HD1 ILE 22 3HD1 ILE 22 -2.627 -1.131 -6.969 158 MG ILE 22 QG2 ILE 22 -0.573 0.052 -5.212 159 MD ILE 22 QD1 ILE 22 -2.848 -2.030 -6.537 160 QG ILE 22 QG1 ILE 22 -3.666 -0.255 -5.017 161 H GLY 23 H GLY 23 -2.401 -2.687 -1.458 162 1HA GLY 23 3HA GLY 23 -2.020 -2.897 0.835 163 2HA GLY 23 2HA GLY 23 -1.048 -1.438 0.709 164 QA GLY 23 QA GLY 23 -1.048 -1.438 0.709 165 H ASN 24 H ASN 24 -0.568 -4.810 -0.558 166 HA ASN 24 HA ASN 24 1.579 -5.487 1.170 167 1HD2 ASN 24 1HD2 ASN 24 2.725 -7.751 -2.254 168 2HD2 ASN 24 2HD2 ASN 24 3.666 -8.714 -1.130 169 QB ASN 24 QB ASN 24 0.884 -6.574 -1.591 170 QD ASN 24 QD2 ASN 24 3.195 -8.232 -1.692 171 H ILE 25 H ILE 25 1.602 -4.071 -2.105 172 HA ILE 25 HA ILE 25 4.464 -3.888 -2.431 173 HB ILE 25 HB ILE 25 2.188 -2.262 -3.609 174 1HG2 ILE 25 1HG2 ILE 25 5.127 -2.262 -4.402 175 2HG2 ILE 25 2HG2 ILE 25 3.815 -1.508 -5.335 176 3HG2 ILE 25 3HG2 ILE 25 4.230 -0.896 -3.752 177 1HD1 ILE 25 1HD1 ILE 25 1.248 -3.173 -5.712 178 2HD1 ILE 25 2HD1 ILE 25 2.797 -3.032 -6.568 179 3HD1 ILE 25 3HD1 ILE 25 1.980 -4.603 -6.470 180 MG ILE 25 QG2 ILE 25 4.391 -1.555 -4.496 181 MD ILE 25 QD1 ILE 25 2.009 -3.603 -6.250 182 QG ILE 25 QG1 ILE 25 2.338 -4.764 -4.122 183 H GLY 26 H GLY 26 2.104 -1.592 -1.029 184 1HA GLY 26 3HA GLY 26 2.292 -0.009 0.609 185 2HA GLY 26 2HA GLY 26 3.798 0.497 -0.204 186 QA GLY 26 QA GLY 26 3.798 0.497 -0.204 187 H ASN 27 H ASN 27 2.791 -2.358 1.760 188 HA ASN 27 HA ASN 27 4.554 -1.908 3.922 189 1HD2 ASN 27 1HD2 ASN 27 4.012 -2.884 6.063 190 2HD2 ASN 27 2HD2 ASN 27 4.974 -4.210 6.698 191 QB ASN 27 QB ASN 27 3.500 -4.560 2.870 192 QD ASN 27 QD2 ASN 27 4.493 -3.547 6.381 193 H ASN 28 H ASN 28 5.234 -3.730 0.888 194 HA ASN 28 HA ASN 28 7.813 -4.605 1.624 195 1HD2 ASN 28 1HD2 ASN 28 8.390 -3.512 -2.462 196 2HD2 ASN 28 2HD2 ASN 28 9.811 -4.532 -2.546 197 QB ASN 28 QB ASN 28 6.629 -3.955 -1.132 198 QD ASN 28 QD2 ASN 28 9.101 -4.022 -2.504 199 H ALA 29 H ALA 29 6.919 -1.497 0.031 200 HA ALA 29 HA ALA 29 9.590 -0.396 -0.026 201 1HB ALA 29 1HB ALA 29 6.864 0.961 0.068 202 2HB ALA 29 2HB ALA 29 8.397 1.765 -0.264 203 3HB ALA 29 3HB ALA 29 7.786 0.537 -1.388 204 MB ALA 29 QB ALA 29 7.683 1.088 -0.528 205 H ALA 30 H ALA 30 6.887 0.082 2.293 206 HA ALA 30 HA ALA 30 8.240 1.629 4.212 207 1HB ALA 30 3HB ALA 30 5.805 1.432 4.044 208 2HB ALA 30 1HB ALA 30 5.892 -0.248 4.633 209 3HB ALA 30 2HB ALA 30 6.394 1.109 5.683 210 MB ALA 30 QB ALA 30 6.030 0.764 4.786 211 H ALA 31 H ALA 31 8.787 -1.744 3.612 212 HA ALA 31 HA ALA 31 10.426 -1.781 6.058 213 1HB ALA 31 3HB ALA 31 9.080 -4.193 4.731 214 2HB ALA 31 1HB ALA 31 10.068 -4.234 6.205 215 3HB ALA 31 2HB ALA 31 8.518 -3.378 6.193 216 MB ALA 31 QB ALA 31 9.222 -3.935 5.710 217 H ASN 32 H ASN 32 10.813 -1.836 2.733 218 HA ASN 32 HA ASN 32 13.771 -1.969 3.042 219 1HD2 ASN 32 1HD2 ASN 32 11.292 -2.994 0.591 220 2HD2 ASN 32 2HD2 ASN 32 12.449 -3.931 -0.352 221 QB ASN 32 QB ASN 32 13.593 -0.292 1.113 222 QD ASN 32 QD2 ASN 32 11.870 -3.463 0.120 223 H TRP 33 H TRP 33 11.208 -0.231 4.378 224 HA TRP 33 HA TRP 33 10.988 1.531 5.722 225 HD1 TRP 33 HD TRP 33 12.423 3.663 8.233 226 HE1 TRP 33 1HE TRP 33 10.809 3.105 10.176 227 HE3 TRP 33 3HE TRP 33 11.995 -1.371 7.522 228 HZ2 TRP 33 2HZ TRP 33 9.224 0.862 11.013 229 HZ3 TRP 33 3HZ TRP 33 10.313 -2.677 8.801 230 HH2 TRP 33 HH TRP 33 8.849 -1.552 10.459 231 QB TRP 33 QB TRP 33 13.692 2.291 6.415 232 H ALA 34 H ALA 34 11.187 1.591 2.983 233 HA ALA 34 HA ALA 34 11.493 2.686 1.082 234 1HB ALA 34 3HB ALA 34 9.716 3.861 2.265 235 2HB ALA 34 2HB ALA 34 10.579 4.930 1.127 236 3HB ALA 34 1HB ALA 34 10.877 5.042 2.887 237 MB ALA 34 QB ALA 34 10.390 4.611 2.093 238 H THR 35 H THR 35 13.911 2.064 2.474 239 HA THR 35 HA THR 35 15.739 4.275 1.626 240 HB THR 35 HB THR 35 15.805 2.743 4.231 241 HG1 THR 35 1HG THR 35 14.362 4.409 4.264 242 1HG2 THR 35 1HG2 THR 35 17.712 4.865 3.172 243 2HG2 THR 35 3HG2 THR 35 17.648 4.278 4.851 244 3HG2 THR 35 2HG2 THR 35 18.120 3.176 3.550 245 MG THR 35 QG2 THR 35 17.827 4.106 3.858 246 H GLY 36 H GLY 36 15.742 0.816 2.646 247 1HA GLY 36 3HA GLY 36 16.945 -0.995 1.964 248 2HA GLY 36 2HA GLY 36 18.272 0.130 1.685 249 QA GLY 36 QA GLY 36 18.272 0.130 1.685 250 H GLY 37 H GLY 37 15.482 0.657 -0.230 251 1HA GLY 37 3HA GLY 37 15.073 -0.557 -2.386 252 2HA GLY 37 2HA GLY 37 16.802 -0.496 -2.680 253 QA GLY 37 QA GLY 37 16.802 -0.496 -2.680 254 H ASN 38 H ASN 38 16.293 2.427 -1.317 255 HA ASN 38 HA ASN 38 14.434 3.827 -2.854 256 1HD2 ASN 38 1HD2 ASN 38 13.795 5.950 -0.485 257 2HD2 ASN 38 2HD2 ASN 38 13.780 7.469 -1.378 258 QB ASN 38 QB ASN 38 16.928 4.913 -1.466 259 QD ASN 38 QD2 ASN 38 13.788 6.709 -0.932 260 H ALA 39 H ALA 39 17.926 3.585 -3.436 261 HA ALA 39 HA ALA 39 17.772 5.261 -5.867 262 1HB ALA 39 1HB ALA 39 19.504 5.569 -4.071 263 2HB ALA 39 3HB ALA 39 20.213 5.242 -5.674 264 3HB ALA 39 2HB ALA 39 20.136 3.952 -4.466 265 MB ALA 39 QB ALA 39 19.951 4.921 -4.737 266 H GLY 40 H GLY 40 17.353 1.942 -5.432 267 1HA GLY 40 3HA GLY 40 19.036 0.465 -6.832 268 2HA GLY 40 2HA GLY 40 18.306 1.303 -8.190 269 QA GLY 40 QA GLY 40 18.306 1.303 -8.190 270 H TRP 41 H TRP 41 15.869 0.750 -5.882 271 HA TRP 41 HA TRP 41 14.945 -1.686 -7.369 272 HD1 TRP 41 HD TRP 41 12.442 -2.920 -4.038 273 HE1 TRP 41 1HE TRP 41 12.069 -5.413 -4.591 274 HE3 TRP 41 3HE TRP 41 16.545 -3.727 -6.950 275 HZ2 TRP 41 2HZ TRP 41 13.411 -7.517 -6.062 276 HZ3 TRP 41 3HZ TRP 41 16.987 -5.996 -7.904 277 HH2 TRP 41 HH TRP 41 15.453 -7.875 -7.444 278 QB TRP 41 QB TRP 41 14.275 -1.157 -4.475 279 H ASN 42 H ASN 42 14.324 1.393 -7.226 280 HA ASN 42 HA ASN 42 11.445 1.553 -6.817 281 1HD2 ASN 42 1HD2 ASN 42 11.670 4.114 -9.840 282 2HD2 ASN 42 2HD2 ASN 42 10.301 5.030 -9.222 283 QB ASN 42 QB ASN 42 13.350 3.449 -8.255 284 QD ASN 42 QD2 ASN 42 10.986 4.572 -9.531 285 H LYS 43 H LYS 43 10.248 0.252 -8.031 286 HA LYS 43 HA LYS 43 10.662 -0.544 -10.738 287 1HZ LYS 43 3HZ LYS 43 9.512 -5.254 -12.538 288 2HZ LYS 43 2HZ LYS 43 8.651 -5.106 -13.907 289 3HZ LYS 43 1HZ LYS 43 9.988 -4.186 -13.672 290 QB LYS 43 QB LYS 43 8.086 -0.469 -9.131 291 QD LYS 43 QD LYS 43 9.444 -3.482 -10.734 292 QG LYS 43 QG LYS 43 7.779 -1.067 -11.555 293 QE LYS 43 QE LYS 43 7.945 -2.848 -13.321 294 QZ LYS 43 QZ LYS 43 9.384 -4.849 -13.372 No H/Q in entry = 294 Start of MODEL 5 1 H1 LYS 1 1H LYS 1 -19.598 -8.700 -11.208 2 H2 LYS 1 3H LYS 1 -18.508 -9.464 -12.161 3 H3 LYS 1 2H LYS 1 -18.746 -9.982 -10.629 4 HA LYS 1 HA LYS 1 -17.882 -7.916 -9.748 5 1HZ LYS 1 2HZ LYS 1 -11.338 -9.612 -10.174 6 2HZ LYS 1 1HZ LYS 1 -10.600 -8.278 -9.585 7 3HZ LYS 1 3HZ LYS 1 -11.480 -9.220 -8.596 8 QB LYS 1 QB LYS 1 -15.999 -9.332 -11.712 9 QD LYS 1 QD LYS 1 -13.697 -9.527 -10.947 10 QG LYS 1 QG LYS 1 -15.409 -7.627 -9.280 11 QE LYS 1 QE LYS 1 -12.867 -7.377 -8.953 12 QZ LYS 1 QZ LYS 1 -11.139 -9.037 -9.452 13 H TYR 2 H TYR 2 -17.964 -5.794 -10.048 14 HA TYR 2 HA TYR 2 -17.787 -4.481 -12.679 15 HD1 TYR 2 1HD TYR 2 -19.055 -1.470 -9.200 16 HD2 TYR 2 2HD TYR 2 -17.691 -2.195 -13.261 17 HE1 TYR 2 1HE TYR 2 -18.412 0.900 -9.417 18 HE2 TYR 2 2HE TYR 2 -17.063 0.165 -13.450 19 HH TYR 2 HH TYR 2 -17.297 2.415 -10.720 20 QB TYR 2 QB TYR 2 -18.459 -3.638 -9.860 21 QD TYR 2 QD TYR 2 -18.373 -1.833 -11.230 22 QE TYR 2 QE TYR 2 -17.738 0.533 -11.434 23 QR TYR 2 QR TYR 2 -18.056 -0.650 -11.332 24 H TYR 3 H TYR 3 -16.569 -2.485 -10.649 25 HA TYR 3 HA TYR 3 -14.902 -1.165 -10.511 26 HD1 TYR 3 1HD TYR 3 -14.342 -5.144 -9.410 27 HD2 TYR 3 2HD TYR 3 -13.536 -1.458 -7.280 28 HE1 TYR 3 1HE TYR 3 -14.959 -6.226 -7.260 29 HE2 TYR 3 2HE TYR 3 -14.176 -2.554 -5.166 30 HH TYR 3 HH TYR 3 -14.807 -4.534 -4.129 31 QB TYR 3 QB TYR 3 -12.820 -1.748 -9.607 32 QD TYR 3 QD TYR 3 -13.939 -3.301 -8.345 33 QE TYR 3 QE TYR 3 -14.568 -4.390 -6.213 34 QR TYR 3 QR TYR 3 -14.253 -3.845 -7.279 35 H GLY 4 H GLY 4 -14.674 -3.276 -13.172 36 1HA GLY 4 3HA GLY 4 -14.276 -2.702 -15.399 37 2HA GLY 4 2HA GLY 4 -12.651 -2.802 -14.743 38 QA GLY 4 QA GLY 4 -12.651 -2.802 -14.743 39 H ASN 5 H ASN 5 -11.500 -0.911 -14.437 40 HA ASN 5 HA ASN 5 -10.885 1.274 -14.348 41 1HD2 ASN 5 1HD2 ASN 5 -11.568 2.994 -18.429 42 2HD2 ASN 5 2HD2 ASN 5 -10.650 4.375 -17.852 43 QB ASN 5 QB ASN 5 -12.051 1.213 -17.136 44 QD ASN 5 QD2 ASN 5 -11.109 3.685 -18.140 45 H GLY 6 H GLY 6 -12.515 1.552 -12.614 46 1HA GLY 6 3HA GLY 6 -15.046 2.799 -13.076 47 2HA GLY 6 2HA GLY 6 -13.841 4.053 -12.777 48 QA GLY 6 QA GLY 6 -13.841 4.053 -12.777 49 H VAL 7 H VAL 7 -14.006 0.867 -11.345 50 HA VAL 7 HA VAL 7 -14.097 0.008 -9.207 51 HB VAL 7 HB VAL 7 -12.319 0.374 -8.170 52 1HG1 VAL 7 1HG1 VAL 7 -11.685 0.535 -10.601 53 2HG1 VAL 7 2HG1 VAL 7 -11.636 2.324 -10.434 54 3HG1 VAL 7 3HG1 VAL 7 -10.528 1.326 -9.547 55 1HG2 VAL 7 2HG2 VAL 7 -12.765 3.335 -8.377 56 2HG2 VAL 7 3HG2 VAL 7 -12.996 2.245 -6.959 57 3HG2 VAL 7 1HG2 VAL 7 -11.365 2.510 -7.565 58 MG1 VAL 7 QG1 VAL 7 -11.283 1.395 -10.194 59 MG2 VAL 7 QG2 VAL 7 -12.375 2.697 -7.634 60 QG VAL 7 QQG VAL 7 -11.829 2.046 -8.914 61 H HIS 8 H HIS 8 -14.635 0.337 -6.752 62 HA HIS 8 HA HIS 8 -17.295 1.577 -6.668 63 HD1 HIS 8 1HD HIS 8 -16.537 -0.727 -7.973 64 HD2 HIS 8 2HD HIS 8 -17.790 -2.447 -4.343 65 HE1 HIS 8 1HE HIS 8 -16.721 -3.208 -8.372 66 HE2 HIS 8 2HE HIS 8 -17.778 -4.239 -6.214 67 QB HIS 8 QB HIS 8 -17.589 0.340 -4.554 68 H CYS 9 H CYS 9 -14.974 3.432 -6.628 69 HA CYS 9 HA CYS 9 -14.750 4.795 -4.155 70 QB CYS 9 QB CYS 9 -14.543 6.834 -5.630 71 H GLY 10 H GLY 10 -16.199 5.767 -2.864 72 1HA GLY 10 3HA GLY 10 -18.622 7.136 -3.797 73 2HA GLY 10 2HA GLY 10 -18.051 6.931 -2.134 74 QA GLY 10 QA GLY 10 -18.051 6.931 -2.134 75 H LYS 11 H LYS 11 -18.771 4.409 -4.523 76 HA LYS 11 HA LYS 11 -21.290 3.527 -3.408 77 1HZ LYS 11 2HZ LYS 11 -22.157 1.406 -9.635 78 2HZ LYS 11 1HZ LYS 11 -22.018 2.792 -10.468 79 3HZ LYS 11 3HZ LYS 11 -20.679 1.945 -10.053 80 QB LYS 11 QB LYS 11 -20.927 1.440 -4.712 81 QD LYS 11 QD LYS 11 -21.553 1.347 -7.134 82 QG LYS 11 QG LYS 11 -20.215 3.951 -6.290 83 QE LYS 11 QE LYS 11 -20.895 3.911 -8.631 84 QZ LYS 11 QZ LYS 11 -21.618 2.048 -10.052 85 H HIS 12 H HIS 12 -17.983 2.442 -2.798 86 HA HIS 12 HA HIS 12 -18.704 1.700 -0.058 87 HD1 HIS 12 1HD HIS 12 -18.973 -0.457 1.668 88 HD2 HIS 12 2HD HIS 12 -15.723 -1.734 -0.710 89 HE1 HIS 12 1HE HIS 12 -17.514 -1.966 3.164 90 HE2 HIS 12 2HE HIS 12 -15.517 -2.680 1.731 91 QB HIS 12 QB HIS 12 -17.558 -0.396 -1.970 92 H SER 13 H SER 13 -15.925 1.066 -2.224 93 HA SER 13 HA SER 13 -14.303 3.163 -1.108 94 HG SER 13 HG SER 13 -11.777 1.405 0.594 95 QB SER 13 QB SER 13 -13.425 0.299 -0.596 96 H CYS 14 H CYS 14 -12.233 3.307 -2.203 97 HA CYS 14 HA CYS 14 -12.382 2.588 -5.034 98 QB CYS 14 QB CYS 14 -10.298 3.923 -5.168 99 H THR 15 H THR 15 -12.184 0.222 -3.504 100 HA THR 15 HA THR 15 -9.435 -0.633 -3.254 101 HB THR 15 HB THR 15 -11.901 -1.408 -2.167 102 HG1 THR 15 1HG THR 15 -9.974 -1.170 -1.071 103 1HG2 THR 15 3HG2 THR 15 -12.141 -3.276 -3.788 104 2HG2 THR 15 2HG2 THR 15 -10.533 -3.867 -3.326 105 3HG2 THR 15 1HG2 THR 15 -11.839 -3.824 -2.131 106 MG THR 15 QG2 THR 15 -11.504 -3.656 -3.082 107 H VAL 16 H VAL 16 -11.528 -0.866 -5.957 108 HA VAL 16 HA VAL 16 -11.454 -1.990 -7.952 109 HB VAL 16 HB VAL 16 -8.521 -2.282 -7.924 110 1HG1 VAL 16 1HG1 VAL 16 -9.702 -2.772 -9.951 111 2HG1 VAL 16 2HG1 VAL 16 -10.459 -1.161 -9.959 112 3HG1 VAL 16 3HG1 VAL 16 -8.693 -1.328 -10.152 113 1HG2 VAL 16 1HG2 VAL 16 -9.862 0.419 -7.759 114 2HG2 VAL 16 2HG2 VAL 16 -8.516 -0.188 -6.779 115 3HG2 VAL 16 3HG2 VAL 16 -8.248 0.159 -8.486 116 MG1 VAL 16 QG1 VAL 16 -9.618 -1.754 -10.021 117 MG2 VAL 16 QG2 VAL 16 -8.875 0.130 -7.675 118 QG VAL 16 QQG VAL 16 -9.247 -0.812 -8.848 119 H ASP 17 H ASP 17 -11.549 -3.809 -5.611 120 HA ASP 17 HA ASP 17 -11.087 -5.821 -4.714 121 QB ASP 17 QB ASP 17 -10.973 -6.855 -7.554 122 H TRP 18 H TRP 18 -8.657 -4.156 -5.663 123 HA TRP 18 HA TRP 18 -6.678 -6.210 -5.037 124 HD1 TRP 18 HD TRP 18 -4.476 -5.544 -9.172 125 HE1 TRP 18 1HE TRP 18 -3.439 -3.320 -9.887 126 HE3 TRP 18 3HE TRP 18 -7.042 -2.449 -6.075 127 HZ2 TRP 18 2HZ TRP 18 -3.424 -0.589 -8.916 128 HZ3 TRP 18 3HZ TRP 18 -6.371 -0.171 -5.750 129 HH2 TRP 18 HH TRP 18 -4.523 0.843 -7.141 130 QB TRP 18 QB TRP 18 -6.953 -5.913 -7.589 131 H GLY 19 H GLY 19 -7.781 -3.536 -3.872 132 1HA GLY 19 3HA GLY 19 -6.973 -1.984 -2.351 133 2HA GLY 19 2HA GLY 19 -5.569 -1.870 -3.379 134 QA GLY 19 QA GLY 19 -5.569 -1.870 -3.379 135 H THR 20 H THR 20 -6.194 -5.020 -2.072 136 HA THR 20 HA THR 20 -4.241 -4.996 0.124 137 HB THR 20 HB THR 20 -4.401 -7.516 -0.233 138 HG1 THR 20 1HG THR 20 -6.140 -8.127 -1.583 139 1HG2 THR 20 3HG2 THR 20 -5.837 -6.352 1.384 140 2HG2 THR 20 2HG2 THR 20 -7.048 -6.050 0.111 141 3HG2 THR 20 1HG2 THR 20 -6.690 -7.714 0.622 142 MG THR 20 QG2 THR 20 -6.525 -6.705 0.706 143 H ALA 21 H ALA 21 -4.020 -5.433 -3.378 144 HA ALA 21 HA ALA 21 -1.349 -6.591 -3.340 145 1HB ALA 21 2HB ALA 21 -2.997 -6.952 -5.247 146 2HB ALA 21 3HB ALA 21 -2.803 -5.253 -5.690 147 3HB ALA 21 1HB ALA 21 -1.414 -6.337 -5.760 148 MB ALA 21 QB ALA 21 -2.405 -6.180 -5.566 149 H ILE 22 H ILE 22 -2.654 -3.366 -4.250 150 HA ILE 22 HA ILE 22 -0.028 -2.131 -4.344 151 HB ILE 22 HB ILE 22 -1.221 0.064 -4.107 152 1HG2 ILE 22 1HG2 ILE 22 -0.642 -1.043 -6.289 153 2HG2 ILE 22 2HG2 ILE 22 -2.249 -1.789 -6.323 154 3HG2 ILE 22 3HG2 ILE 22 -2.089 -0.029 -6.395 155 1HD1 ILE 22 1HD1 ILE 22 -3.679 1.021 -5.123 156 2HD1 ILE 22 2HD1 ILE 22 -4.866 0.567 -3.877 157 3HD1 ILE 22 3HD1 ILE 22 -3.320 1.314 -3.411 158 MG ILE 22 QG2 ILE 22 -1.660 -0.954 -6.336 159 MD ILE 22 QD1 ILE 22 -3.955 0.967 -4.137 160 QG ILE 22 QG1 ILE 22 -3.265 -0.994 -2.873 161 H GLY 23 H GLY 23 -2.372 -2.533 -1.779 162 1HA GLY 23 3HA GLY 23 -2.003 -2.788 0.539 163 2HA GLY 23 2HA GLY 23 -1.038 -1.310 0.417 164 QA GLY 23 QA GLY 23 -1.038 -1.310 0.417 165 H ASN 24 H ASN 24 -0.595 -4.684 -0.697 166 HA ASN 24 HA ASN 24 1.511 -5.399 1.038 167 1HD2 ASN 24 1HD2 ASN 24 2.709 -7.585 -2.487 168 2HD2 ASN 24 2HD2 ASN 24 3.695 -8.560 -1.385 169 QB ASN 24 QB ASN 24 0.972 -6.413 -1.794 170 QD ASN 24 QD2 ASN 24 3.202 -8.072 -1.936 171 H ILE 25 H ILE 25 1.675 -4.050 -2.234 172 HA ILE 25 HA ILE 25 4.525 -3.885 -2.532 173 HB ILE 25 HB ILE 25 2.299 -2.187 -3.737 174 1HG2 ILE 25 1HG2 ILE 25 5.253 -2.245 -4.469 175 2HG2 ILE 25 2HG2 ILE 25 4.002 -1.442 -5.427 176 3HG2 ILE 25 3HG2 ILE 25 4.341 -0.848 -3.816 177 1HD1 ILE 25 1HD1 ILE 25 1.302 -3.121 -5.795 178 2HD1 ILE 25 2HD1 ILE 25 2.797 -2.890 -6.702 179 3HD1 ILE 25 3HD1 ILE 25 2.071 -4.506 -6.606 180 MG ILE 25 QG2 ILE 25 4.532 -1.512 -4.571 181 MD ILE 25 QD1 ILE 25 2.056 -3.506 -6.367 182 QG ILE 25 QG1 ILE 25 2.508 -4.735 -4.280 183 H GLY 26 H GLY 26 2.248 -1.464 -1.216 184 1HA GLY 26 3HA GLY 26 2.560 0.310 0.251 185 2HA GLY 26 2HA GLY 26 4.144 0.540 -0.485 186 QA GLY 26 QA GLY 26 4.144 0.540 -0.485 187 H ASN 27 H ASN 27 3.171 -2.403 1.236 188 HA ASN 27 HA ASN 27 4.692 -1.642 3.632 189 1HD2 ASN 27 1HD2 ASN 27 1.334 -1.942 2.786 190 2HD2 ASN 27 2HD2 ASN 27 0.954 -0.976 4.223 191 QB ASN 27 QB ASN 27 3.817 -3.922 4.446 192 QD ASN 27 QD2 ASN 27 1.144 -1.459 3.505 193 H ASN 28 H ASN 28 5.198 -3.731 0.865 194 HA ASN 28 HA ASN 28 7.757 -4.762 1.757 195 1HD2 ASN 28 1HD2 ASN 28 8.396 -7.004 0.327 196 2HD2 ASN 28 2HD2 ASN 28 9.815 -6.864 -0.707 197 QB ASN 28 QB ASN 28 6.727 -4.163 -1.057 198 QD ASN 28 QD2 ASN 28 9.105 -6.934 -0.190 199 H ALA 29 H ALA 29 6.799 -1.751 -0.005 200 HA ALA 29 HA ALA 29 9.367 -0.509 0.068 201 1HB ALA 29 2HB ALA 29 6.614 0.790 0.248 202 2HB ALA 29 3HB ALA 29 8.131 1.572 -0.244 203 3HB ALA 29 1HB ALA 29 7.394 0.297 -1.251 204 MB ALA 29 QB ALA 29 7.380 0.886 -0.415 205 H ALA 30 H ALA 30 6.905 -0.806 2.659 206 HA ALA 30 HA ALA 30 8.595 0.697 4.477 207 1HB ALA 30 3HB ALA 30 6.090 0.707 4.554 208 2HB ALA 30 1HB ALA 30 6.137 -0.979 5.136 209 3HB ALA 30 2HB ALA 30 6.865 0.304 6.108 210 MB ALA 30 QB ALA 30 6.364 0.011 5.266 211 H ALA 31 H ALA 31 8.789 -2.614 3.562 212 HA ALA 31 HA ALA 31 10.582 -3.224 5.831 213 1HB ALA 31 2HB ALA 31 11.461 -4.996 4.462 214 2HB ALA 31 1HB ALA 31 10.676 -4.341 3.012 215 3HB ALA 31 3HB ALA 31 9.686 -5.026 4.331 216 MB ALA 31 QB ALA 31 10.608 -4.788 3.935 217 H ASN 32 H ASN 32 10.787 -1.561 2.759 218 HA ASN 32 HA ASN 32 13.601 -0.743 3.203 219 1HD2 ASN 32 1HD2 ASN 32 11.216 -2.617 0.688 220 2HD2 ASN 32 2HD2 ASN 32 12.533 -3.665 0.132 221 QB ASN 32 QB ASN 32 13.508 0.165 0.978 222 QD ASN 32 QD2 ASN 32 11.874 -3.141 0.410 223 H TRP 33 H TRP 33 10.783 0.440 4.391 224 HA TRP 33 HA TRP 33 10.548 3.100 4.260 225 HD1 TRP 33 HD TRP 33 8.793 3.338 8.396 226 HE1 TRP 33 1HE TRP 33 6.453 4.262 7.890 227 HE3 TRP 33 3HE TRP 33 8.742 2.731 3.298 228 HZ2 TRP 33 2HZ TRP 33 4.624 4.249 5.638 229 HZ3 TRP 33 3HZ TRP 33 6.699 3.106 2.028 230 HH2 TRP 33 HH TRP 33 4.599 3.728 3.167 231 QB TRP 33 QB TRP 33 10.771 2.511 7.119 232 H ALA 34 H ALA 34 13.314 1.640 5.921 233 HA ALA 34 HA ALA 34 14.561 3.904 7.084 234 1HB ALA 34 1HB ALA 34 15.859 1.524 5.693 235 2HB ALA 34 3HB ALA 34 15.230 1.457 7.360 236 3HB ALA 34 2HB ALA 34 16.575 2.549 6.938 237 MB ALA 34 QB ALA 34 15.888 1.843 6.664 238 H THR 35 H THR 35 14.268 2.972 3.762 239 HA THR 35 HA THR 35 16.505 4.665 2.823 240 HB THR 35 HB THR 35 16.860 3.100 1.252 241 HG1 THR 35 1HG THR 35 14.392 1.909 1.858 242 1HG2 THR 35 1HG2 THR 35 17.465 2.203 3.510 243 2HG2 THR 35 3HG2 THR 35 15.948 1.255 3.472 244 3HG2 THR 35 2HG2 THR 35 17.171 0.982 2.251 245 MG THR 35 QG2 THR 35 16.861 1.480 3.077 246 H GLY 36 H GLY 36 13.105 3.748 2.025 247 1HA GLY 36 3HA GLY 36 12.521 6.179 0.516 248 2HA GLY 36 2HA GLY 36 11.608 4.635 0.494 249 QA GLY 36 QA GLY 36 11.608 4.635 0.494 250 H GLY 37 H GLY 37 14.039 3.096 -0.191 251 1HA GLY 37 3HA GLY 37 14.489 3.605 -3.085 252 2HA GLY 37 2HA GLY 37 14.955 2.200 -2.128 253 QA GLY 37 QA GLY 37 14.955 2.200 -2.128 254 H ASN 38 H ASN 38 15.838 4.602 -0.224 255 HA ASN 38 HA ASN 38 17.612 5.695 0.505 256 1HD2 ASN 38 1HD2 ASN 38 19.857 6.028 1.538 257 2HD2 ASN 38 2HD2 ASN 38 21.497 6.172 0.910 258 QB ASN 38 QB ASN 38 18.965 3.375 -0.811 259 QD ASN 38 QD2 ASN 38 20.677 6.100 1.224 260 H ALA 39 H ALA 39 19.014 4.941 -2.643 261 HA ALA 39 HA ALA 39 18.790 7.772 -3.594 262 1HB ALA 39 3HB ALA 39 21.362 6.154 -3.581 263 2HB ALA 39 2HB ALA 39 20.942 7.415 -2.387 264 3HB ALA 39 1HB ALA 39 21.173 7.824 -4.109 265 MB ALA 39 QB ALA 39 21.159 7.131 -3.359 266 H GLY 40 H GLY 40 18.031 4.696 -4.338 267 1HA GLY 40 3HA GLY 40 18.894 4.689 -7.228 268 2HA GLY 40 2HA GLY 40 17.167 4.664 -6.831 269 QA GLY 40 QA GLY 40 17.167 4.664 -6.831 270 H TRP 41 H TRP 41 17.531 2.812 -4.490 271 HA TRP 41 HA TRP 41 18.760 0.387 -5.277 272 HD1 TRP 41 HD TRP 41 15.485 -1.405 -2.720 273 HE1 TRP 41 1HE TRP 41 16.290 -3.836 -2.467 274 HE3 TRP 41 3HE TRP 41 20.406 -0.730 -3.809 275 HZ2 TRP 41 2HZ TRP 41 18.788 -5.293 -2.658 276 HZ3 TRP 41 3HZ TRP 41 21.993 -2.659 -3.805 277 HH2 TRP 41 HH TRP 41 21.198 -4.931 -3.218 278 QB TRP 41 QB TRP 41 16.480 0.848 -3.309 279 H ASN 42 H ASN 42 18.289 -0.420 -7.213 280 HA ASN 42 HA ASN 42 15.579 -1.549 -7.698 281 1HD2 ASN 42 1HD2 ASN 42 13.741 -0.894 -9.081 282 2HD2 ASN 42 2HD2 ASN 42 13.477 -1.260 -10.759 283 QB ASN 42 QB ASN 42 17.149 0.256 -9.612 284 QD ASN 42 QD2 ASN 42 13.609 -1.077 -9.920 285 H LYS 43 H LYS 43 15.612 -3.061 -9.559 286 HA LYS 43 HA LYS 43 16.227 -5.016 -10.490 287 1HZ LYS 43 3HZ LYS 43 19.973 -4.891 -16.037 288 2HZ LYS 43 2HZ LYS 43 19.227 -6.163 -16.753 289 3HZ LYS 43 1HZ LYS 43 18.471 -4.727 -16.592 290 QB LYS 43 QB LYS 43 18.669 -3.466 -11.401 291 QD LYS 43 QD LYS 43 19.305 -4.085 -13.781 292 QG LYS 43 QG LYS 43 16.909 -5.597 -12.649 293 QE LYS 43 QE LYS 43 17.587 -6.300 -14.966 294 QZ LYS 43 QZ LYS 43 19.224 -5.260 -16.461 No H/Q in entry = 294 Start of MODEL 6 1 H1 LYS 1 3H LYS 1 -19.459 3.633 0.532 2 H2 LYS 1 2H LYS 1 -18.185 4.654 0.746 3 H3 LYS 1 1H LYS 1 -19.666 5.086 1.249 4 HA LYS 1 HA LYS 1 -20.532 5.163 -0.983 5 1HZ LYS 1 1HZ LYS 1 -18.871 11.408 -0.998 6 2HZ LYS 1 3HZ LYS 1 -20.221 11.640 -1.880 7 3HZ LYS 1 2HZ LYS 1 -20.307 11.680 -0.268 8 QB LYS 1 QB LYS 1 -19.372 7.172 -1.753 9 QD LYS 1 QD LYS 1 -18.432 9.240 0.255 10 QG LYS 1 QG LYS 1 -19.462 7.236 1.295 11 QE LYS 1 QE LYS 1 -21.183 9.580 -1.009 12 QZ LYS 1 QZ LYS 1 -19.799 11.576 -1.049 13 H TYR 2 H TYR 2 -20.342 3.333 -2.417 14 HA TYR 2 HA TYR 2 -17.874 2.612 -3.675 15 HD1 TYR 2 1HD TYR 2 -20.749 2.167 -6.703 16 HD2 TYR 2 2HD TYR 2 -18.080 -0.335 -4.429 17 HE1 TYR 2 1HE TYR 2 -20.334 0.793 -8.709 18 HE2 TYR 2 2HE TYR 2 -17.672 -1.736 -6.378 19 HH TYR 2 HH TYR 2 -18.265 -2.142 -8.623 20 QB TYR 2 QB TYR 2 -20.817 2.059 -4.236 21 QD TYR 2 QD TYR 2 -19.414 0.916 -5.566 22 QE TYR 2 QE TYR 2 -19.003 -0.471 -7.543 23 QR TYR 2 QR TYR 2 -19.209 0.222 -6.555 24 H TYR 3 H TYR 3 -16.910 4.390 -4.637 25 HA TYR 3 HA TYR 3 -18.169 6.586 -5.870 26 HD1 TYR 3 1HD TYR 3 -14.062 4.983 -4.545 27 HD2 TYR 3 2HD TYR 3 -16.976 8.188 -4.302 28 HE1 TYR 3 1HE TYR 3 -13.321 5.480 -2.260 29 HE2 TYR 3 2HE TYR 3 -16.184 8.706 -2.005 30 HH TYR 3 HH TYR 3 -14.630 8.227 -0.419 31 QB TYR 3 QB TYR 3 -15.967 7.228 -6.611 32 QD TYR 3 QD TYR 3 -15.519 6.586 -4.423 33 QE TYR 3 QE TYR 3 -14.752 7.093 -2.133 34 QR TYR 3 QR TYR 3 -15.136 6.839 -3.278 35 H GLY 4 H GLY 4 -17.713 3.472 -7.282 36 1HA GLY 4 3HA GLY 4 -18.671 4.489 -9.943 37 2HA GLY 4 2HA GLY 4 -19.463 3.253 -8.994 38 QA GLY 4 QA GLY 4 -19.463 3.253 -8.994 39 H ASN 5 H ASN 5 -15.991 3.034 -9.115 40 HA ASN 5 HA ASN 5 -15.837 1.515 -11.608 41 1HD2 ASN 5 1HD2 ASN 5 -13.386 4.381 -9.662 42 2HD2 ASN 5 2HD2 ASN 5 -13.340 5.189 -11.224 43 QB ASN 5 QB ASN 5 -13.446 1.250 -10.938 44 QD ASN 5 QD2 ASN 5 -13.363 4.785 -10.443 45 H GLY 6 H GLY 6 -15.077 0.627 -8.278 46 1HA GLY 6 3HA GLY 6 -14.483 -2.076 -8.682 47 2HA GLY 6 2HA GLY 6 -16.173 -2.047 -8.152 48 QA GLY 6 QA GLY 6 -16.173 -2.047 -8.152 49 H VAL 7 H VAL 7 -16.022 0.159 -6.378 50 HA VAL 7 HA VAL 7 -13.543 -0.204 -4.776 51 HB VAL 7 HB VAL 7 -13.878 2.315 -4.316 52 1HG1 VAL 7 3HG1 VAL 7 -12.885 1.166 -6.927 53 2HG1 VAL 7 1HG1 VAL 7 -12.557 2.825 -6.347 54 3HG1 VAL 7 2HG1 VAL 7 -11.971 1.423 -5.425 55 1HG2 VAL 7 1HG2 VAL 7 -16.087 2.436 -5.548 56 2HG2 VAL 7 2HG2 VAL 7 -14.829 3.562 -6.166 57 3HG2 VAL 7 3HG2 VAL 7 -15.213 2.101 -7.064 58 MG1 VAL 7 QG1 VAL 7 -12.471 1.805 -6.233 59 MG2 VAL 7 QG2 VAL 7 -15.376 2.700 -6.259 60 QG VAL 7 QQG VAL 7 -13.924 2.252 -6.246 61 H HIS 8 H HIS 8 -13.895 -1.199 -3.050 62 HA HIS 8 HA HIS 8 -15.547 -0.065 -0.879 63 HD1 HIS 8 1HD HIS 8 -15.006 -3.702 -3.473 64 HD2 HIS 8 2HD HIS 8 -18.739 -2.058 -2.318 65 HE1 HIS 8 1HE HIS 8 -16.615 -4.184 -5.353 66 HE2 HIS 8 2HE HIS 8 -18.923 -3.294 -4.627 67 QB HIS 8 QB HIS 8 -16.852 -1.922 -0.497 68 H CYS 9 H CYS 9 -14.273 0.019 0.944 69 HA CYS 9 HA CYS 9 -11.507 -0.582 1.077 70 QB CYS 9 QB CYS 9 -11.869 -0.702 3.588 71 H GLY 10 H GLY 10 -14.364 -2.424 1.813 72 1HA GLY 10 3HA GLY 10 -13.185 -4.426 3.605 73 2HA GLY 10 2HA GLY 10 -13.991 -5.044 2.161 74 QA GLY 10 QA GLY 10 -13.991 -5.044 2.161 75 H LYS 11 H LYS 11 -14.746 -2.201 4.054 76 HA LYS 11 HA LYS 11 -17.655 -2.885 4.112 77 1HZ LYS 11 3HZ LYS 11 -18.910 -5.592 8.844 78 2HZ LYS 11 2HZ LYS 11 -18.075 -6.993 8.762 79 3HZ LYS 11 1HZ LYS 11 -17.284 -5.571 8.827 80 QB LYS 11 QB LYS 11 -17.861 -1.815 6.400 81 QD LYS 11 QD LYS 11 -18.348 -4.599 5.339 82 QG LYS 11 QG LYS 11 -16.821 -3.584 7.779 83 QE LYS 11 QE LYS 11 -17.179 -6.436 6.590 84 QZ LYS 11 QZ LYS 11 -18.090 -6.052 8.811 85 H HIS 12 H HIS 12 -15.485 -0.178 4.856 86 HA HIS 12 HA HIS 12 -17.235 1.855 3.678 87 HD1 HIS 12 1HD HIS 12 -17.631 4.243 4.622 88 HD2 HIS 12 2HD HIS 12 -13.446 4.468 4.216 89 HE1 HIS 12 1HE HIS 12 -17.073 6.708 4.151 90 HE2 HIS 12 2HE HIS 12 -14.518 6.841 3.915 91 QB HIS 12 QB HIS 12 -14.357 2.088 4.619 92 H SER 13 H SER 13 -15.023 3.333 2.295 93 HA SER 13 HA SER 13 -15.907 2.401 -0.287 94 HG SER 13 HG SER 13 -16.199 5.801 0.986 95 QB SER 13 QB SER 13 -15.418 4.611 -0.965 96 H CYS 14 H CYS 14 -12.843 1.996 1.110 97 HA CYS 14 HA CYS 14 -11.419 3.318 -0.981 98 QB CYS 14 QB CYS 14 -11.135 3.898 1.355 99 H THR 15 H THR 15 -12.032 0.306 -1.491 100 HA THR 15 HA THR 15 -9.306 -0.231 -2.595 101 HB THR 15 HB THR 15 -10.727 -1.828 -0.539 102 HG1 THR 15 1HG THR 15 -8.761 -0.680 -0.362 103 1HG2 THR 15 2HG2 THR 15 -9.322 -3.184 -2.849 104 2HG2 THR 15 1HG2 THR 15 -9.516 -3.917 -1.227 105 3HG2 THR 15 3HG2 THR 15 -10.945 -3.529 -2.185 106 MG THR 15 QG2 THR 15 -9.928 -3.543 -2.087 107 H VAL 16 H VAL 16 -9.354 -0.622 -4.675 108 HA VAL 16 HA VAL 16 -11.709 -1.010 -6.271 109 HB VAL 16 HB VAL 16 -8.931 -1.586 -7.272 110 1HG1 VAL 16 2HG1 VAL 16 -10.811 -1.796 -8.867 111 2HG1 VAL 16 3HG1 VAL 16 -11.320 -0.135 -8.494 112 3HG1 VAL 16 1HG1 VAL 16 -9.745 -0.456 -9.279 113 1HG2 VAL 16 3HG2 VAL 16 -10.036 1.207 -6.759 114 2HG2 VAL 16 1HG2 VAL 16 -8.634 0.467 -5.952 115 3HG2 VAL 16 2HG2 VAL 16 -8.555 0.819 -7.676 116 MG1 VAL 16 QG1 VAL 16 -10.625 -0.796 -8.880 117 MG2 VAL 16 QG2 VAL 16 -9.075 0.831 -6.795 118 QG VAL 16 QQG VAL 16 -9.850 0.018 -7.838 119 H ASP 17 H ASP 17 -11.505 -3.110 -4.364 120 HA ASP 17 HA ASP 17 -11.085 -5.230 -3.757 121 QB ASP 17 QB ASP 17 -11.766 -7.035 -5.266 122 H TRP 18 H TRP 18 -8.845 -3.855 -5.781 123 HA TRP 18 HA TRP 18 -6.912 -6.030 -5.319 124 HD1 TRP 18 HD TRP 18 -5.197 -4.584 -9.486 125 HE1 TRP 18 1HE TRP 18 -4.205 -2.236 -9.863 126 HE3 TRP 18 3HE TRP 18 -7.312 -2.155 -5.512 127 HZ2 TRP 18 2HZ TRP 18 -3.999 0.238 -8.359 128 HZ3 TRP 18 3HZ TRP 18 -6.505 -0.021 -4.826 129 HH2 TRP 18 HH TRP 18 -4.848 1.253 -6.246 130 QB TRP 18 QB TRP 18 -7.465 -5.292 -7.682 131 H GLY 19 H GLY 19 -7.714 -3.625 -3.512 132 1HA GLY 19 3HA GLY 19 -6.688 -2.393 -1.825 133 2HA GLY 19 2HA GLY 19 -5.365 -2.136 -2.929 134 QA GLY 19 QA GLY 19 -5.365 -2.136 -2.929 135 H THR 20 H THR 20 -6.111 -5.435 -2.194 136 HA THR 20 HA THR 20 -4.118 -5.885 -0.169 137 HB THR 20 HB THR 20 -5.905 -7.461 -0.586 138 HG1 THR 20 1HG THR 20 -4.148 -8.344 0.334 139 1HG2 THR 20 3HG2 THR 20 -6.072 -7.361 -3.089 140 2HG2 THR 20 2HG2 THR 20 -4.544 -8.276 -3.178 141 3HG2 THR 20 1HG2 THR 20 -6.011 -8.974 -2.431 142 MG THR 20 QG2 THR 20 -5.542 -8.204 -2.899 143 H ALA 21 H ALA 21 -3.924 -5.734 -3.719 144 HA ALA 21 HA ALA 21 -1.208 -6.641 -4.017 145 1HB ALA 21 2HB ALA 21 -2.975 -6.695 -5.828 146 2HB ALA 21 3HB ALA 21 -2.860 -4.927 -5.924 147 3HB ALA 21 1HB ALA 21 -1.449 -5.930 -6.300 148 MB ALA 21 QB ALA 21 -2.428 -5.851 -6.017 149 H ILE 22 H ILE 22 -2.689 -3.347 -4.331 150 HA ILE 22 HA ILE 22 -0.092 -2.046 -4.357 151 HB ILE 22 HB ILE 22 -1.270 0.081 -3.791 152 1HG2 ILE 22 3HG2 ILE 22 -0.828 -0.712 -6.102 153 2HG2 ILE 22 1HG2 ILE 22 -2.427 -1.469 -6.154 154 3HG2 ILE 22 2HG2 ILE 22 -2.285 0.277 -6.026 155 1HD1 ILE 22 3HD1 ILE 22 -3.754 1.193 -4.369 156 2HD1 ILE 22 1HD1 ILE 22 -4.894 0.556 -3.151 157 3HD1 ILE 22 2HD1 ILE 22 -3.300 1.205 -2.664 158 MG ILE 22 QG2 ILE 22 -1.847 -0.635 -6.094 159 MD ILE 22 QD1 ILE 22 -3.983 0.984 -3.395 160 QG ILE 22 QG1 ILE 22 -3.272 -1.166 -2.553 161 H GLY 23 H GLY 23 -2.304 -2.717 -1.721 162 1HA GLY 23 3HA GLY 23 -1.949 -2.909 0.587 163 2HA GLY 23 2HA GLY 23 -0.974 -1.436 0.427 164 QA GLY 23 QA GLY 23 -0.974 -1.436 0.427 165 H ASN 24 H ASN 24 -0.536 -4.812 -0.683 166 HA ASN 24 HA ASN 24 1.613 -5.502 1.062 167 1HD2 ASN 24 1HD2 ASN 24 1.902 -8.139 1.375 168 2HD2 ASN 24 2HD2 ASN 24 3.296 -8.928 0.638 169 QB ASN 24 QB ASN 24 0.902 -6.587 -1.699 170 QD ASN 24 QD2 ASN 24 2.599 -8.533 1.007 171 H ILE 25 H ILE 25 1.730 -4.232 -2.292 172 HA ILE 25 HA ILE 25 4.565 -4.054 -2.540 173 HB ILE 25 HB ILE 25 2.269 -2.605 -3.850 174 1HG2 ILE 25 3HG2 ILE 25 5.239 -2.222 -4.441 175 2HG2 ILE 25 1HG2 ILE 25 3.902 -1.774 -5.547 176 3HG2 ILE 25 2HG2 ILE 25 4.073 -0.992 -3.969 177 1HD1 ILE 25 3HD1 ILE 25 1.523 -3.798 -5.926 178 2HD1 ILE 25 1HD1 ILE 25 3.057 -3.462 -6.777 179 3HD1 ILE 25 2HD1 ILE 25 2.499 -5.124 -6.596 180 MG ILE 25 QG2 ILE 25 4.405 -1.663 -4.653 181 MD ILE 25 QD1 ILE 25 2.360 -4.128 -6.433 182 QG ILE 25 QG1 ILE 25 2.792 -5.103 -4.235 183 H GLY 26 H GLY 26 2.242 -1.557 -1.354 184 1HA GLY 26 3HA GLY 26 2.573 0.320 -0.073 185 2HA GLY 26 2HA GLY 26 4.126 0.502 -0.878 186 QA GLY 26 QA GLY 26 4.126 0.502 -0.878 187 H ASN 27 H ASN 27 3.082 -2.182 1.289 188 HA ASN 27 HA ASN 27 4.855 -1.163 3.421 189 1HD2 ASN 27 1HD2 ASN 27 2.316 -0.406 3.347 190 2HD2 ASN 27 2HD2 ASN 27 2.227 0.296 4.966 191 QB ASN 27 QB ASN 27 3.896 -3.444 4.456 192 QD ASN 27 QD2 ASN 27 2.272 -0.055 4.156 193 H ASN 28 H ASN 28 5.140 -3.615 0.924 194 HA ASN 28 HA ASN 28 7.648 -4.689 1.889 195 1HD2 ASN 28 1HD2 ASN 28 7.587 -7.426 -0.501 196 2HD2 ASN 28 2HD2 ASN 28 9.253 -7.271 -1.005 197 QB ASN 28 QB ASN 28 6.762 -4.193 -0.994 198 QD ASN 28 QD2 ASN 28 8.420 -7.348 -0.753 199 H ALA 29 H ALA 29 6.908 -1.880 -0.213 200 HA ALA 29 HA ALA 29 9.481 -0.716 -0.228 201 1HB ALA 29 3HB ALA 29 6.843 0.773 -0.307 202 2HB ALA 29 1HB ALA 29 8.389 1.281 -0.978 203 3HB ALA 29 2HB ALA 29 7.522 -0.081 -1.701 204 MB ALA 29 QB ALA 29 7.585 0.658 -0.995 205 H ALA 30 H ALA 30 7.062 -0.605 2.338 206 HA ALA 30 HA ALA 30 8.807 1.188 3.894 207 1HB ALA 30 1HB ALA 30 6.306 1.615 3.630 208 2HB ALA 30 3HB ALA 30 6.867 1.564 5.314 209 3HB ALA 30 2HB ALA 30 6.020 0.167 4.604 210 MB ALA 30 QB ALA 30 6.398 1.115 4.516 211 H ALA 31 H ALA 31 8.848 -2.098 3.673 212 HA ALA 31 HA ALA 31 10.336 -2.057 6.287 213 1HB ALA 31 2HB ALA 31 9.885 -4.389 4.378 214 2HB ALA 31 3HB ALA 31 10.741 -4.396 5.945 215 3HB ALA 31 1HB ALA 31 8.980 -4.090 5.882 216 MB ALA 31 QB ALA 31 9.869 -4.291 5.401 217 H ASN 32 H ASN 32 10.788 -1.710 2.856 218 HA ASN 32 HA ASN 32 13.712 -1.752 3.025 219 1HD2 ASN 32 1HD2 ASN 32 10.985 -3.143 0.916 220 2HD2 ASN 32 2HD2 ASN 32 12.018 -4.216 -0.003 221 QB ASN 32 QB ASN 32 13.447 -0.516 0.842 222 QD ASN 32 QD2 ASN 32 11.501 -3.679 0.457 223 H TRP 33 H TRP 33 11.148 0.645 2.988 224 HA TRP 33 HA TRP 33 11.041 2.897 3.422 225 HD1 TRP 33 HD TRP 33 10.275 3.432 7.847 226 HE1 TRP 33 1HE TRP 33 8.171 4.913 7.812 227 HE3 TRP 33 3HE TRP 33 9.114 3.139 2.828 228 HZ2 TRP 33 2HZ TRP 33 6.110 5.552 5.980 229 HZ3 TRP 33 3HZ TRP 33 7.013 4.069 2.023 230 HH2 TRP 33 HH TRP 33 5.450 5.209 3.571 231 QB TRP 33 QB TRP 33 11.684 2.157 6.267 232 H ALA 34 H ALA 34 13.714 1.951 5.424 233 HA ALA 34 HA ALA 34 15.222 4.423 5.557 234 1HB ALA 34 2HB ALA 34 17.039 2.797 6.192 235 2HB ALA 34 3HB ALA 34 15.504 2.439 7.053 236 3HB ALA 34 1HB ALA 34 15.974 1.476 5.650 237 MB ALA 34 QB ALA 34 16.172 2.237 6.298 238 H THR 35 H THR 35 14.831 1.981 3.167 239 HA THR 35 HA THR 35 16.485 3.306 1.100 240 HB THR 35 HB THR 35 16.864 0.339 1.589 241 HG1 THR 35 1HG THR 35 18.335 2.441 2.736 242 1HG2 THR 35 2HG2 THR 35 17.586 1.300 -0.620 243 2HG2 THR 35 1HG2 THR 35 18.616 2.451 0.238 244 3HG2 THR 35 3HG2 THR 35 18.944 0.691 0.301 245 MG THR 35 QG2 THR 35 18.382 1.481 -0.027 246 H GLY 36 H GLY 36 13.764 3.309 1.355 247 1HA GLY 36 3HA GLY 36 11.805 3.022 0.255 248 2HA GLY 36 2HA GLY 36 12.170 1.301 0.146 249 QA GLY 36 QA GLY 36 12.170 1.301 0.146 250 H GLY 37 H GLY 37 13.675 0.694 -1.664 251 1HA GLY 37 3HA GLY 37 13.370 1.971 -4.279 252 2HA GLY 37 2HA GLY 37 14.562 0.747 -3.827 253 QA GLY 37 QA GLY 37 14.562 0.747 -3.827 254 H ASN 38 H ASN 38 15.346 2.447 -1.533 255 HA ASN 38 HA ASN 38 15.981 4.410 -0.635 256 1HD2 ASN 38 1HD2 ASN 38 18.227 6.771 -3.319 257 2HD2 ASN 38 2HD2 ASN 38 18.731 7.759 -1.950 258 QB ASN 38 QB ASN 38 17.642 4.600 -3.136 259 QD ASN 38 QD2 ASN 38 18.479 7.265 -2.634 260 H ALA 39 H ALA 39 14.965 5.004 -4.019 261 HA ALA 39 HA ALA 39 13.036 6.990 -3.028 262 1HB ALA 39 1HB ALA 39 15.047 7.558 -5.254 263 2HB ALA 39 3HB ALA 39 14.937 8.398 -3.686 264 3HB ALA 39 2HB ALA 39 13.644 8.552 -4.886 265 MB ALA 39 QB ALA 39 14.543 8.169 -4.609 266 H GLY 40 H GLY 40 11.480 5.428 -3.378 267 1HA GLY 40 3HA GLY 40 10.484 5.443 -6.184 268 2HA GLY 40 2HA GLY 40 9.537 5.315 -4.698 269 QA GLY 40 QA GLY 40 9.537 5.315 -4.698 270 H TRP 41 H TRP 41 11.430 3.014 -3.876 271 HA TRP 41 HA TRP 41 11.527 0.740 -3.932 272 HD1 TRP 41 HD TRP 41 10.527 -0.938 -2.161 273 HE1 TRP 41 1HE TRP 41 9.825 -3.427 -2.154 274 HE3 TRP 41 3HE TRP 41 7.609 -1.004 -6.358 275 HZ2 TRP 41 2HZ TRP 41 8.291 -5.196 -3.772 276 HZ3 TRP 41 3HZ TRP 41 6.522 -3.108 -7.100 277 HH2 TRP 41 HH TRP 41 6.882 -5.213 -5.852 278 QB TRP 41 QB TRP 41 8.744 0.860 -5.077 279 H ASN 42 H ASN 42 12.437 2.176 -6.433 280 HA ASN 42 HA ASN 42 12.191 0.298 -8.621 281 1HD2 ASN 42 1HD2 ASN 42 15.729 0.928 -9.385 282 2HD2 ASN 42 2HD2 ASN 42 15.546 0.938 -11.136 283 QB ASN 42 QB ASN 42 14.278 2.460 -8.105 284 QD ASN 42 QD2 ASN 42 15.637 0.933 -10.261 285 H LYS 43 H LYS 43 12.572 -1.664 -7.496 286 HA LYS 43 HA LYS 43 15.422 -2.574 -7.592 287 1HZ LYS 43 2HZ LYS 43 15.494 -2.411 -0.799 288 2HZ LYS 43 1HZ LYS 43 16.970 -2.938 -1.265 289 3HZ LYS 43 3HZ LYS 43 16.775 -1.433 -0.657 290 QB LYS 43 QB LYS 43 14.935 -4.107 -5.689 291 QD LYS 43 QD LYS 43 15.897 -3.576 -3.513 292 QG LYS 43 QG LYS 43 14.601 -1.189 -4.865 293 QE LYS 43 QE LYS 43 15.488 -0.706 -2.555 294 QZ LYS 43 QZ LYS 43 16.413 -2.260 -0.907 No H/Q in entry = 294 Start of MODEL 7 1 H1 LYS 1 3H LYS 1 -19.640 4.402 -1.200 2 H2 LYS 1 2H LYS 1 -18.212 4.863 -0.566 3 H3 LYS 1 1H LYS 1 -19.553 5.745 -0.265 4 HA LYS 1 HA LYS 1 -19.759 6.370 -2.578 5 1HZ LYS 1 1HZ LYS 1 -18.330 11.757 -2.874 6 2HZ LYS 1 3HZ LYS 1 -19.364 10.599 -2.386 7 3HZ LYS 1 2HZ LYS 1 -19.006 11.840 -1.398 8 QB LYS 1 QB LYS 1 -16.985 6.973 -1.444 9 QD LYS 1 QD LYS 1 -16.678 10.047 -3.459 10 QG LYS 1 QG LYS 1 -18.783 8.668 -3.259 11 QE LYS 1 QE LYS 1 -16.725 11.112 -1.168 12 QZ LYS 1 QZ LYS 1 -18.900 11.399 -2.220 13 H TYR 2 H TYR 2 -19.848 4.928 -4.375 14 HA TYR 2 HA TYR 2 -17.349 3.703 -5.283 15 HD1 TYR 2 1HD TYR 2 -17.007 1.761 -6.695 16 HD2 TYR 2 2HD TYR 2 -20.646 3.301 -8.387 17 HE1 TYR 2 1HE TYR 2 -16.341 0.854 -8.869 18 HE2 TYR 2 2HE TYR 2 -19.980 2.402 -10.629 19 HH TYR 2 HH TYR 2 -16.931 0.554 -11.073 20 QB TYR 2 QB TYR 2 -20.272 3.528 -6.100 21 QD TYR 2 QD TYR 2 -18.827 2.531 -7.541 22 QE TYR 2 QE TYR 2 -18.160 1.628 -9.749 23 QR TYR 2 QR TYR 2 -18.494 2.079 -8.645 24 H TYR 3 H TYR 3 -16.037 5.129 -6.246 25 HA TYR 3 HA TYR 3 -16.737 7.627 -7.279 26 HD1 TYR 3 1HD TYR 3 -13.968 5.981 -4.863 27 HD2 TYR 3 2HD TYR 3 -14.689 9.562 -7.200 28 HE1 TYR 3 1HE TYR 3 -13.267 7.405 -2.955 29 HE2 TYR 3 2HE TYR 3 -14.015 10.953 -5.269 30 HH TYR 3 HH TYR 3 -13.149 10.924 -3.127 31 QB TYR 3 QB TYR 3 -14.314 7.374 -8.285 32 QD TYR 3 QD TYR 3 -14.328 7.771 -6.032 33 QE TYR 3 QE TYR 3 -13.641 9.179 -4.112 34 QR TYR 3 QR TYR 3 -13.985 8.475 -5.072 35 H GLY 4 H GLY 4 -17.460 4.792 -8.929 36 1HA GLY 4 3HA GLY 4 -18.073 6.370 -11.360 37 2HA GLY 4 2HA GLY 4 -18.801 4.856 -10.849 38 QA GLY 4 QA GLY 4 -18.801 4.856 -10.849 39 H ASN 5 H ASN 5 -15.328 5.082 -11.003 40 HA ASN 5 HA ASN 5 -15.161 3.619 -13.573 41 1HD2 ASN 5 1HD2 ASN 5 -13.531 4.627 -15.369 42 2HD2 ASN 5 2HD2 ASN 5 -12.094 3.675 -15.693 43 QB ASN 5 QB ASN 5 -12.945 4.743 -11.810 44 QD ASN 5 QD2 ASN 5 -12.812 4.151 -15.531 45 H GLY 6 H GLY 6 -14.159 1.049 -10.708 46 1HA GLY 6 3HA GLY 6 -15.383 3.181 -9.454 47 2HA GLY 6 2HA GLY 6 -13.763 3.791 -9.826 48 QA GLY 6 QA GLY 6 -13.763 3.791 -9.826 49 H VAL 7 H VAL 7 -13.830 3.990 -7.411 50 HA VAL 7 HA VAL 7 -11.963 1.929 -6.663 51 HB VAL 7 HB VAL 7 -12.345 4.761 -5.683 52 1HG1 VAL 7 3HG1 VAL 7 -10.117 2.727 -5.390 53 2HG1 VAL 7 1HG1 VAL 7 -9.857 4.473 -5.174 54 3HG1 VAL 7 2HG1 VAL 7 -11.004 3.617 -4.128 55 1HG2 VAL 7 3HG2 VAL 7 -10.575 3.683 -7.912 56 2HG2 VAL 7 1HG2 VAL 7 -11.902 4.852 -8.076 57 3HG2 VAL 7 2HG2 VAL 7 -10.440 5.306 -7.205 58 MG1 VAL 7 QG1 VAL 7 -10.326 3.605 -4.898 59 MG2 VAL 7 QG2 VAL 7 -10.972 4.614 -7.731 60 QG VAL 7 QQG VAL 7 -10.649 4.110 -6.314 61 H HIS 8 H HIS 8 -15.050 2.692 -5.499 62 HA HIS 8 HA HIS 8 -16.253 2.265 -3.591 63 HD1 HIS 8 1HD HIS 8 -13.785 -0.806 -5.573 64 HD2 HIS 8 2HD HIS 8 -17.947 -0.384 -5.000 65 HE1 HIS 8 1HE HIS 8 -14.855 -1.536 -7.739 66 HE2 HIS 8 2HE HIS 8 -17.425 -1.408 -7.357 67 QB HIS 8 QB HIS 8 -16.298 0.068 -2.853 68 H CYS 9 H CYS 9 -15.443 4.135 -2.423 69 HA CYS 9 HA CYS 9 -13.614 3.451 -0.154 70 QB CYS 9 QB CYS 9 -13.956 6.249 -1.155 71 H GLY 10 H GLY 10 -13.815 4.920 1.715 72 1HA GLY 10 3HA GLY 10 -16.390 4.642 2.940 73 2HA GLY 10 2HA GLY 10 -16.089 6.334 2.506 74 QA GLY 10 QA GLY 10 -16.089 6.334 2.506 75 H LYS 11 H LYS 11 -15.469 3.888 4.760 76 HA LYS 11 HA LYS 11 -14.055 5.724 6.582 77 1HZ LYS 11 3HZ LYS 11 -18.318 3.439 11.100 78 2HZ LYS 11 2HZ LYS 11 -19.751 3.920 10.517 79 3HZ LYS 11 1HZ LYS 11 -19.090 2.554 9.968 80 QB LYS 11 QB LYS 11 -14.194 3.801 8.173 81 QD LYS 11 QD LYS 11 -16.188 3.590 9.650 82 QG LYS 11 QG LYS 11 -16.854 4.473 6.826 83 QE LYS 11 QE LYS 11 -18.818 4.345 8.302 84 QZ LYS 11 QZ LYS 11 -19.053 3.304 10.528 85 H HIS 12 H HIS 12 -13.172 2.553 5.237 86 HA HIS 12 HA HIS 12 -10.256 3.227 5.528 87 HD1 HIS 12 1HD HIS 12 -8.802 2.984 8.013 88 HD2 HIS 12 2HD HIS 12 -9.172 -0.877 6.361 89 HE1 HIS 12 1HE HIS 12 -6.557 1.791 8.455 90 HE2 HIS 12 2HE HIS 12 -6.805 -0.564 7.470 91 QB HIS 12 QB HIS 12 -11.410 0.590 6.461 92 H SER 13 H SER 13 -12.425 2.295 3.288 93 HA SER 13 HA SER 13 -11.148 -0.103 2.206 94 HG SER 13 HG SER 13 -14.745 1.482 1.391 95 QB SER 13 QB SER 13 -13.454 -0.159 2.226 96 H CYS 14 H CYS 14 -12.309 2.295 -0.009 97 HA CYS 14 HA CYS 14 -11.492 3.066 -2.010 98 QB CYS 14 QB CYS 14 -8.874 3.745 -1.809 99 H THR 15 H THR 15 -11.634 0.348 -1.670 100 HA THR 15 HA THR 15 -9.249 -1.155 -2.053 101 HB THR 15 HB THR 15 -12.142 -2.001 -2.473 102 HG1 THR 15 1HG THR 15 -11.950 -2.605 -0.267 103 1HG2 THR 15 2HG2 THR 15 -9.688 -3.631 -1.700 104 2HG2 THR 15 1HG2 THR 15 -11.353 -4.226 -1.601 105 3HG2 THR 15 3HG2 THR 15 -10.666 -3.812 -3.178 106 MG THR 15 QG2 THR 15 -10.569 -3.890 -2.159 107 H VAL 16 H VAL 16 -11.288 0.197 -4.524 108 HA VAL 16 HA VAL 16 -11.864 -0.435 -6.687 109 HB VAL 16 HB VAL 16 -9.077 -1.504 -7.113 110 1HG1 VAL 16 2HG1 VAL 16 -10.744 -1.903 -8.951 111 2HG1 VAL 16 3HG1 VAL 16 -11.070 -0.143 -8.994 112 3HG1 VAL 16 1HG1 VAL 16 -9.464 -0.817 -9.408 113 1HG2 VAL 16 2HG2 VAL 16 -8.805 0.733 -6.174 114 2HG2 VAL 16 3HG2 VAL 16 -8.346 0.653 -7.872 115 3HG2 VAL 16 1HG2 VAL 16 -9.909 1.384 -7.409 116 MG1 VAL 16 QG1 VAL 16 -10.426 -0.954 -9.118 117 MG2 VAL 16 QG2 VAL 16 -9.020 0.923 -7.151 118 QG VAL 16 QQG VAL 16 -9.723 -0.015 -8.135 119 H ASP 17 H ASP 17 -9.975 -3.196 -7.363 120 HA ASP 17 HA ASP 17 -11.316 -4.965 -5.417 121 QB ASP 17 QB ASP 17 -12.362 -5.244 -7.668 122 H TRP 18 H TRP 18 -8.589 -3.517 -5.855 123 HA TRP 18 HA TRP 18 -6.790 -5.818 -5.415 124 HD1 TRP 18 HD TRP 18 -4.929 -4.523 -9.642 125 HE1 TRP 18 1HE TRP 18 -4.179 -2.143 -10.231 126 HE3 TRP 18 3HE TRP 18 -7.201 -1.982 -5.829 127 HZ2 TRP 18 2HZ TRP 18 -4.023 0.384 -8.835 128 HZ3 TRP 18 3HZ TRP 18 -6.476 0.198 -5.240 129 HH2 TRP 18 HH TRP 18 -4.808 1.427 -6.617 130 QB TRP 18 QB TRP 18 -6.981 -5.334 -7.826 131 H GLY 19 H GLY 19 -7.741 -3.341 -3.847 132 1HA GLY 19 3HA GLY 19 -6.896 -2.037 -2.117 133 2HA GLY 19 2HA GLY 19 -5.507 -1.762 -3.122 134 QA GLY 19 QA GLY 19 -5.507 -1.762 -3.122 135 H THR 20 H THR 20 -6.321 -5.042 -2.185 136 HA THR 20 HA THR 20 -4.496 -5.493 -0.007 137 HB THR 20 HB THR 20 -4.664 -7.869 -0.787 138 HG1 THR 20 1HG THR 20 -6.185 -8.264 -2.397 139 1HG2 THR 20 1HG2 THR 20 -7.290 -6.376 -0.378 140 2HG2 THR 20 3HG2 THR 20 -7.076 -8.122 -0.225 141 3HG2 THR 20 2HG2 THR 20 -6.223 -7.030 0.890 142 MG THR 20 QG2 THR 20 -6.863 -7.176 0.096 143 H ALA 21 H ALA 21 -4.104 -5.599 -3.552 144 HA ALA 21 HA ALA 21 -1.428 -6.642 -3.655 145 1HB ALA 21 1HB ALA 21 -3.027 -6.450 -5.610 146 2HB ALA 21 2HB ALA 21 -2.682 -4.707 -5.665 147 3HB ALA 21 3HB ALA 21 -1.376 -5.865 -5.936 148 MB ALA 21 QB ALA 21 -2.362 -5.674 -5.737 149 H ILE 22 H ILE 22 -2.592 -3.232 -4.045 150 HA ILE 22 HA ILE 22 0.002 -2.173 -3.818 151 HB ILE 22 HB ILE 22 -1.949 -0.183 -2.961 152 1HG2 ILE 22 2HG2 ILE 22 -0.328 -0.646 -5.473 153 2HG2 ILE 22 3HG2 ILE 22 -1.147 0.881 -5.036 154 3HG2 ILE 22 1HG2 ILE 22 0.189 0.267 -4.040 155 1HD1 ILE 22 1HD1 ILE 22 -1.895 -2.449 -5.977 156 2HD1 ILE 22 2HD1 ILE 22 -3.606 -2.209 -6.335 157 3HD1 ILE 22 3HD1 ILE 22 -2.434 -0.945 -6.737 158 MG ILE 22 QG2 ILE 22 -0.429 0.167 -4.850 159 MD ILE 22 QD1 ILE 22 -2.645 -1.868 -6.350 160 QG ILE 22 QG1 ILE 22 -3.488 -0.135 -4.733 161 H GLY 23 H GLY 23 -2.304 -2.787 -1.292 162 1HA GLY 23 3HA GLY 23 -1.969 -2.976 1.055 163 2HA GLY 23 2HA GLY 23 -0.951 -1.535 0.896 164 QA GLY 23 QA GLY 23 -0.951 -1.535 0.896 165 H ASN 24 H ASN 24 -0.646 -4.925 -0.322 166 HA ASN 24 HA ASN 24 1.502 -5.682 1.358 167 1HD2 ASN 24 1HD2 ASN 24 2.535 -7.590 -2.292 168 2HD2 ASN 24 2HD2 ASN 24 3.576 -8.675 -1.398 169 QB ASN 24 QB ASN 24 0.608 -6.693 -1.377 170 QD ASN 24 QD2 ASN 24 3.056 -8.133 -1.845 171 H ILE 25 H ILE 25 1.599 -4.388 -1.992 172 HA ILE 25 HA ILE 25 4.442 -4.295 -2.256 173 HB ILE 25 HB ILE 25 2.255 -2.667 -3.578 174 1HG2 ILE 25 1HG2 ILE 25 5.214 -2.837 -4.341 175 2HG2 ILE 25 2HG2 ILE 25 3.968 -2.115 -5.355 176 3HG2 ILE 25 3HG2 ILE 25 4.363 -1.385 -3.794 177 1HD1 ILE 25 3HD1 ILE 25 1.183 -3.767 -5.531 178 2HD1 ILE 25 1HD1 ILE 25 2.679 -3.605 -6.492 179 3HD1 ILE 25 2HD1 ILE 25 1.913 -5.190 -6.274 180 MG ILE 25 QG2 ILE 25 4.515 -2.112 -4.497 181 MD ILE 25 QD1 ILE 25 1.925 -4.187 -6.099 182 QG ILE 25 QG1 ILE 25 2.388 -5.227 -3.924 183 H GLY 26 H GLY 26 2.196 -1.780 -1.081 184 1HA GLY 26 3HA GLY 26 2.479 0.109 0.132 185 2HA GLY 26 2HA GLY 26 4.119 0.250 -0.484 186 QA GLY 26 QA GLY 26 4.119 0.250 -0.484 187 H ASN 27 H ASN 27 3.389 -2.686 1.248 188 HA ASN 27 HA ASN 27 4.840 -1.657 3.670 189 1HD2 ASN 27 2HD2 ASN 27 3.160 -0.500 3.791 190 2HD2 ASN 27 1HD2 ASN 27 1.638 -0.432 4.655 191 QB ASN 27 QB ASN 27 3.902 -3.633 4.820 192 QD ASN 27 QD2 ASN 27 2.399 -0.466 4.223 193 H ASN 28 H ASN 28 5.259 -3.949 1.053 194 HA ASN 28 HA ASN 28 7.913 -4.785 1.934 195 1HD2 ASN 28 1HD2 ASN 28 8.867 -6.939 0.697 196 2HD2 ASN 28 2HD2 ASN 28 10.164 -6.700 -0.457 197 QB ASN 28 QB ASN 28 6.757 -4.453 -0.880 198 QD ASN 28 QD2 ASN 28 9.516 -6.820 0.120 199 H ALA 29 H ALA 29 6.603 -1.948 0.168 200 HA ALA 29 HA ALA 29 9.046 -0.466 -0.005 201 1HB ALA 29 2HB ALA 29 6.272 0.682 0.354 202 2HB ALA 29 3HB ALA 29 7.679 1.454 -0.397 203 3HB ALA 29 1HB ALA 29 6.918 0.076 -1.196 204 MB ALA 29 QB ALA 29 6.956 0.737 -0.413 205 H ALA 30 H ALA 30 6.622 -0.585 2.744 206 HA ALA 30 HA ALA 30 8.322 0.997 4.426 207 1HB ALA 30 1HB ALA 30 5.817 0.632 4.701 208 2HB ALA 30 2HB ALA 30 6.187 -0.977 5.348 209 3HB ALA 30 3HB ALA 30 6.780 0.468 6.183 210 MB ALA 30 QB ALA 30 6.261 0.041 5.411 211 H ALA 31 H ALA 31 8.850 -2.359 3.655 212 HA ALA 31 HA ALA 31 10.830 -2.582 5.825 213 1HB ALA 31 3HB ALA 31 11.762 -4.414 4.546 214 2HB ALA 31 2HB ALA 31 10.792 -3.981 3.110 215 3HB ALA 31 1HB ALA 31 10.010 -4.595 4.572 216 MB ALA 31 QB ALA 31 10.854 -4.330 4.076 217 H ASN 32 H ASN 32 10.827 -1.419 2.434 218 HA ASN 32 HA ASN 32 13.638 -0.657 2.356 219 1HD2 ASN 32 1HD2 ASN 32 11.016 -2.608 0.460 220 2HD2 ASN 32 2HD2 ASN 32 12.291 -3.517 -0.326 221 QB ASN 32 QB ASN 32 12.895 0.474 0.203 222 QD ASN 32 QD2 ASN 32 11.653 -3.062 0.067 223 H TRP 33 H TRP 33 10.906 0.960 3.651 224 HA TRP 33 HA TRP 33 11.500 3.683 3.674 225 HD1 TRP 33 HD TRP 33 8.348 3.434 7.112 226 HE1 TRP 33 1HE TRP 33 6.186 4.061 5.899 227 HE3 TRP 33 3HE TRP 33 10.035 3.182 2.288 228 HZ2 TRP 33 2HZ TRP 33 5.237 4.200 3.148 229 HZ3 TRP 33 3HZ TRP 33 8.467 3.521 0.388 230 HH2 TRP 33 HH TRP 33 6.071 3.939 0.824 231 QB TRP 33 QB TRP 33 10.858 3.413 6.296 232 H ALA 34 H ALA 34 12.932 1.118 5.615 233 HA ALA 34 HA ALA 34 14.943 2.905 6.914 234 1HB ALA 34 3HB ALA 34 12.827 2.863 8.201 235 2HB ALA 34 2HB ALA 34 14.125 2.046 9.083 236 3HB ALA 34 1HB ALA 34 12.874 1.085 8.260 237 MB ALA 34 QB ALA 34 13.276 1.998 8.514 238 H THR 35 H THR 35 14.078 -0.367 5.936 239 HA THR 35 HA THR 35 16.619 -1.430 7.075 240 HB THR 35 HB THR 35 13.951 -2.853 6.718 241 HG1 THR 35 1HG THR 35 15.114 -1.813 9.085 242 1HG2 THR 35 1HG2 THR 35 16.408 -3.605 8.356 243 2HG2 THR 35 3HG2 THR 35 14.846 -4.475 8.348 244 3HG2 THR 35 2HG2 THR 35 15.830 -4.467 6.902 245 MG THR 35 QG2 THR 35 15.695 -4.182 7.869 246 H GLY 36 H GLY 36 14.689 -1.392 4.173 247 1HA GLY 36 3HA GLY 36 14.937 -2.323 2.048 248 2HA GLY 36 2HA GLY 36 15.604 -3.733 2.860 249 QA GLY 36 QA GLY 36 15.604 -3.733 2.860 250 H GLY 37 H GLY 37 18.402 -1.101 1.504 251 1HA GLY 37 3HA GLY 37 15.697 0.004 2.205 252 2HA GLY 37 2HA GLY 37 16.831 0.686 1.061 253 QA GLY 37 QA GLY 37 16.831 0.686 1.061 254 H ASN 38 H ASN 38 18.182 -0.424 4.018 255 HA ASN 38 HA ASN 38 17.923 1.926 5.628 256 1HD2 ASN 38 1HD2 ASN 38 18.163 1.348 8.130 257 2HD2 ASN 38 2HD2 ASN 38 19.563 1.937 9.048 258 QB ASN 38 QB ASN 38 20.159 -0.180 5.568 259 QD ASN 38 QD2 ASN 38 18.863 1.642 8.589 260 H ALA 39 H ALA 39 20.375 1.020 3.223 261 HA ALA 39 HA ALA 39 22.157 3.209 3.649 262 1HB ALA 39 1HB ALA 39 22.853 1.094 2.647 263 2HB ALA 39 2HB ALA 39 21.798 1.369 1.250 264 3HB ALA 39 3HB ALA 39 23.184 2.418 1.510 265 MB ALA 39 QB ALA 39 22.612 1.627 1.802 266 H GLY 40 H GLY 40 19.087 3.309 2.211 267 1HA GLY 40 3HA GLY 40 19.766 5.501 0.289 268 2HA GLY 40 2HA GLY 40 18.569 5.774 1.539 269 QA GLY 40 QA GLY 40 18.569 5.774 1.539 270 H TRP 41 H TRP 41 16.908 3.765 1.602 271 HA TRP 41 HA TRP 41 15.067 2.863 0.728 272 HD1 TRP 41 HD TRP 41 13.471 4.442 2.359 273 HE1 TRP 41 1HE TRP 41 14.008 6.178 4.161 274 HE3 TRP 41 3HE TRP 41 16.651 7.391 -0.333 275 HZ2 TRP 41 2HZ TRP 41 15.630 8.543 4.412 276 HZ3 TRP 41 3HZ TRP 41 17.686 9.407 0.734 277 HH2 TRP 41 HH TRP 41 17.165 10.014 3.066 278 QB TRP 41 QB TRP 41 13.809 4.553 -0.436 279 H ASN 42 H ASN 42 17.489 1.960 -0.887 280 HA ASN 42 HA ASN 42 15.974 1.043 -3.300 281 1HD2 ASN 42 2HD2 ASN 42 19.295 3.486 -2.214 282 2HD2 ASN 42 1HD2 ASN 42 20.794 2.586 -2.015 283 QB ASN 42 QB ASN 42 17.708 2.815 -3.789 284 QD ASN 42 QD2 ASN 42 20.045 3.036 -2.114 285 H LYS 43 H LYS 43 17.019 -0.834 -4.353 286 HA LYS 43 HA LYS 43 18.001 -2.936 -2.510 287 1HZ LYS 43 1HZ LYS 43 11.950 -5.379 -3.119 288 2HZ LYS 43 3HZ LYS 43 11.888 -5.787 -4.691 289 3HZ LYS 43 2HZ LYS 43 12.436 -6.866 -3.600 290 QB LYS 43 QB LYS 43 15.397 -3.117 -4.043 291 QD LYS 43 QD LYS 43 14.117 -4.910 -1.916 292 QG LYS 43 QG LYS 43 16.611 -5.036 -2.006 293 QE LYS 43 QE LYS 43 14.328 -5.881 -4.821 294 QZ LYS 43 QZ LYS 43 12.091 -6.011 -3.804 No H/Q in entry = 294 Start of MODEL 8 1 H1 LYS 1 3H LYS 1 -21.061 3.698 -4.941 2 H2 LYS 1 2H LYS 1 -19.922 4.720 -5.458 3 H3 LYS 1 1H LYS 1 -21.488 5.214 -5.361 4 HA LYS 1 HA LYS 1 -22.158 3.759 -7.148 5 1HZ LYS 1 3HZ LYS 1 -21.252 7.320 -12.628 6 2HZ LYS 1 2HZ LYS 1 -19.622 7.250 -12.599 7 3HZ LYS 1 1HZ LYS 1 -20.454 6.408 -13.710 8 QB LYS 1 QB LYS 1 -19.720 5.486 -7.749 9 QD LYS 1 QD LYS 1 -19.630 6.482 -10.098 10 QG LYS 1 QG LYS 1 -21.678 4.269 -9.707 11 QE LYS 1 QE LYS 1 -21.402 4.948 -12.037 12 QZ LYS 1 QZ LYS 1 -20.443 6.992 -12.979 13 H TYR 2 H TYR 2 -21.981 1.799 -8.094 14 HA TYR 2 HA TYR 2 -19.539 0.206 -8.163 15 HD1 TYR 2 1HD TYR 2 -20.919 -0.847 -11.527 16 HD2 TYR 2 2HD TYR 2 -21.356 -2.906 -7.751 17 HE1 TYR 2 1HE TYR 2 -20.613 -2.987 -12.655 18 HE2 TYR 2 2HE TYR 2 -21.023 -5.063 -8.894 19 HH TYR 2 HH TYR 2 -20.669 -6.119 -10.885 20 QB TYR 2 QB TYR 2 -22.336 0.002 -9.340 21 QD TYR 2 QD TYR 2 -21.138 -1.877 -9.639 22 QE TYR 2 QE TYR 2 -20.818 -4.025 -10.775 23 QR TYR 2 QR TYR 2 -20.978 -2.951 -10.207 24 H TYR 3 H TYR 3 -17.980 1.011 -9.465 25 HA TYR 3 HA TYR 3 -18.603 2.798 -11.722 26 HD1 TYR 3 1HD TYR 3 -16.795 5.255 -11.532 27 HD2 TYR 3 2HD TYR 3 -16.567 2.539 -8.177 28 HE1 TYR 3 1HE TYR 3 -16.881 7.186 -9.967 29 HE2 TYR 3 2HE TYR 3 -16.624 4.477 -6.619 30 HH TYR 3 HH TYR 3 -16.816 7.851 -7.765 31 QB TYR 3 QB TYR 3 -16.129 2.973 -11.853 32 QD TYR 3 QD TYR 3 -16.681 3.897 -9.855 33 QE TYR 3 QE TYR 3 -16.752 5.831 -8.293 34 QR TYR 3 QR TYR 3 -16.717 4.864 -9.074 35 H GLY 4 H GLY 4 -17.695 -0.563 -11.401 36 1HA GLY 4 3HA GLY 4 -17.180 -0.857 -14.350 37 2HA GLY 4 2HA GLY 4 -18.404 -1.844 -13.544 38 QA GLY 4 QA GLY 4 -18.404 -1.844 -13.544 39 H ASN 5 H ASN 5 -16.748 -3.337 -14.694 40 HA ASN 5 HA ASN 5 -15.651 -5.286 -14.357 41 1HD2 ASN 5 1HD2 ASN 5 -13.733 -6.190 -15.845 42 2HD2 ASN 5 2HD2 ASN 5 -12.380 -7.035 -15.070 43 QB ASN 5 QB ASN 5 -13.439 -3.347 -13.615 44 QD ASN 5 QD2 ASN 5 -13.056 -6.612 -15.458 45 H GLY 6 H GLY 6 -13.742 -4.033 -11.670 46 1HA GLY 6 3HA GLY 6 -13.413 -5.586 -9.731 47 2HA GLY 6 2HA GLY 6 -15.150 -5.870 -9.727 48 QA GLY 6 QA GLY 6 -15.150 -5.870 -9.727 49 H VAL 7 H VAL 7 -14.773 -2.597 -10.392 50 HA VAL 7 HA VAL 7 -14.123 -1.564 -7.782 51 HB VAL 7 HB VAL 7 -15.222 -0.089 -10.186 52 1HG1 VAL 7 1HG1 VAL 7 -14.971 1.017 -7.903 53 2HG1 VAL 7 2HG1 VAL 7 -13.231 0.663 -8.017 54 3HG1 VAL 7 3HG1 VAL 7 -13.996 1.760 -9.199 55 1HG2 VAL 7 1HG2 VAL 7 -12.305 -0.837 -9.799 56 2HG2 VAL 7 2HG2 VAL 7 -13.358 -1.265 -11.170 57 3HG2 VAL 7 3HG2 VAL 7 -12.905 0.417 -10.875 58 MG1 VAL 7 QG1 VAL 7 -14.066 1.146 -8.373 59 MG2 VAL 7 QG2 VAL 7 -12.856 -0.562 -10.614 60 QG VAL 7 QQG VAL 7 -13.461 0.292 -9.494 61 H HIS 8 H HIS 8 -15.711 -1.899 -6.299 62 HA HIS 8 HA HIS 8 -18.586 -1.284 -6.876 63 HD1 HIS 8 1HD HIS 8 -18.124 -2.756 -8.885 64 HD2 HIS 8 2HD HIS 8 -17.768 -6.081 -6.321 65 HE1 HIS 8 1HE HIS 8 -17.688 -4.791 -10.394 66 HE2 HIS 8 2HE HIS 8 -17.527 -6.835 -8.817 67 QB HIS 8 QB HIS 8 -19.168 -3.317 -5.617 68 H CYS 9 H CYS 9 -17.989 0.821 -5.892 69 HA CYS 9 HA CYS 9 -17.464 0.870 -2.987 70 QB CYS 9 QB CYS 9 -17.482 3.283 -3.234 71 H GLY 10 H GLY 10 -19.367 0.009 -1.929 72 1HA GLY 10 3HA GLY 10 -22.085 0.665 -2.602 73 2HA GLY 10 2HA GLY 10 -21.487 1.717 -1.318 74 QA GLY 10 QA GLY 10 -21.487 1.717 -1.318 75 H LYS 11 H LYS 11 -22.325 -1.559 -2.184 76 HA LYS 11 HA LYS 11 -22.724 -2.467 0.584 77 1HZ LYS 11 1HZ LYS 11 -26.302 -6.858 -2.313 78 2HZ LYS 11 3HZ LYS 11 -26.843 -7.236 -0.802 79 3HZ LYS 11 2HZ LYS 11 -27.597 -6.098 -1.674 80 QB LYS 11 QB LYS 11 -23.167 -4.683 -0.448 81 QD LYS 11 QD LYS 11 -25.126 -4.674 -2.785 82 QG LYS 11 QG LYS 11 -24.594 -2.381 -1.888 83 QE LYS 11 QE LYS 11 -26.277 -5.022 0.015 84 QZ LYS 11 QZ LYS 11 -26.914 -6.731 -1.596 85 H HIS 12 H HIS 12 -20.428 -3.230 -1.951 86 HA HIS 12 HA HIS 12 -18.370 -4.359 -0.137 87 HD1 HIS 12 1HD HIS 12 -16.079 -6.262 -2.740 88 HD2 HIS 12 2HD HIS 12 -20.178 -6.325 -1.861 89 HE1 HIS 12 1HE HIS 12 -16.788 -8.763 -2.704 90 HE2 HIS 12 2HE HIS 12 -19.297 -8.768 -2.132 91 QB HIS 12 QB HIS 12 -17.032 -3.998 -2.431 92 H SER 13 H SER 13 -16.198 -3.361 -0.210 93 HA SER 13 HA SER 13 -16.317 -0.372 0.170 94 HG SER 13 HG SER 13 -16.424 -2.384 2.288 95 QB SER 13 QB SER 13 -14.267 -0.673 1.548 96 H CYS 14 H CYS 14 -16.302 -0.673 -2.335 97 HA CYS 14 HA CYS 14 -15.369 -0.122 -4.333 98 QB CYS 14 QB CYS 14 -13.172 0.903 -4.423 99 H THR 15 H THR 15 -13.264 -2.280 -2.446 100 HA THR 15 HA THR 15 -12.187 -4.184 -2.938 101 HB THR 15 HB THR 15 -14.536 -4.460 -4.807 102 HG1 THR 15 1HG THR 15 -13.877 -5.343 -2.225 103 1HG2 THR 15 1HG2 THR 15 -12.476 -6.543 -4.044 104 2HG2 THR 15 3HG2 THR 15 -14.155 -6.980 -4.436 105 3HG2 THR 15 2HG2 THR 15 -13.161 -6.181 -5.655 106 MG THR 15 QG2 THR 15 -13.264 -6.568 -4.712 107 H VAL 16 H VAL 16 -13.035 -3.573 -6.342 108 HA VAL 16 HA VAL 16 -11.902 -3.937 -8.262 109 HB VAL 16 HB VAL 16 -9.322 -3.041 -7.031 110 1HG1 VAL 16 3HG1 VAL 16 -10.641 -2.505 -9.737 111 2HG1 VAL 16 1HG1 VAL 16 -9.054 -1.894 -9.222 112 3HG1 VAL 16 2HG1 VAL 16 -9.264 -3.610 -9.450 113 1HG2 VAL 16 1HG2 VAL 16 -11.648 -1.205 -7.677 114 2HG2 VAL 16 2HG2 VAL 16 -10.771 -1.394 -6.132 115 3HG2 VAL 16 3HG2 VAL 16 -9.963 -0.697 -7.537 116 MG1 VAL 16 QG1 VAL 16 -9.653 -2.670 -9.470 117 MG2 VAL 16 QG2 VAL 16 -10.794 -1.099 -7.115 118 QG VAL 16 QQG VAL 16 -10.224 -1.884 -8.293 119 H ASP 17 H ASP 17 -11.225 -5.844 -5.669 120 HA ASP 17 HA ASP 17 -10.144 -7.725 -5.125 121 QB ASP 17 QB ASP 17 -9.886 -8.366 -8.071 122 H TRP 18 H TRP 18 -8.727 -5.169 -5.756 123 HA TRP 18 HA TRP 18 -5.936 -6.123 -6.196 124 HD1 TRP 18 HD TRP 18 -4.897 -4.516 -9.741 125 HE1 TRP 18 1HE TRP 18 -3.943 -2.124 -10.014 126 HE3 TRP 18 3HE TRP 18 -7.545 -2.330 -6.069 127 HZ2 TRP 18 2HZ TRP 18 -4.255 0.489 -8.554 128 HZ3 TRP 18 3HZ TRP 18 -7.123 -0.076 -5.360 129 HH2 TRP 18 HH TRP 18 -5.393 1.344 -6.535 130 QB TRP 18 QB TRP 18 -7.830 -4.362 -7.616 131 H GLY 19 H GLY 19 -7.784 -4.290 -4.239 132 1HA GLY 19 3HA GLY 19 -7.328 -2.723 -2.488 133 2HA GLY 19 2HA GLY 19 -5.974 -2.163 -3.424 134 QA GLY 19 QA GLY 19 -5.974 -2.163 -3.424 135 H THR 20 H THR 20 -6.342 -5.520 -2.408 136 HA THR 20 HA THR 20 -4.422 -5.607 -0.248 137 HB THR 20 HB THR 20 -4.353 -8.060 -0.851 138 HG1 THR 20 1HG THR 20 -5.861 -8.716 -2.407 139 1HG2 THR 20 3HG2 THR 20 -5.971 -7.143 0.799 140 2HG2 THR 20 2HG2 THR 20 -7.143 -6.879 -0.533 141 3HG2 THR 20 1HG2 THR 20 -6.607 -8.519 -0.108 142 MG THR 20 QG2 THR 20 -6.574 -7.514 0.053 143 H ALA 21 H ALA 21 -4.050 -5.706 -3.792 144 HA ALA 21 HA ALA 21 -1.308 -6.530 -3.907 145 1HB ALA 21 1HB ALA 21 -2.890 -6.313 -5.892 146 2HB ALA 21 2HB ALA 21 -2.576 -4.549 -5.861 147 3HB ALA 21 3HB ALA 21 -1.262 -5.680 -6.124 148 MB ALA 21 QB ALA 21 -2.243 -5.514 -5.959 149 H ILE 22 H ILE 22 -2.715 -3.190 -4.103 150 HA ILE 22 HA ILE 22 -0.264 -1.897 -3.779 151 HB ILE 22 HB ILE 22 -2.460 -0.288 -2.712 152 1HG2 ILE 22 3HG2 ILE 22 -0.712 -0.172 -5.172 153 2HG2 ILE 22 1HG2 ILE 22 -1.730 1.169 -4.572 154 3HG2 ILE 22 2HG2 ILE 22 -0.380 0.588 -3.593 155 1HD1 ILE 22 3HD1 ILE 22 -2.035 -2.167 -5.913 156 2HD1 ILE 22 1HD1 ILE 22 -3.760 -2.117 -6.344 157 3HD1 ILE 22 2HD1 ILE 22 -2.731 -0.675 -6.576 158 MG ILE 22 QG2 ILE 22 -0.941 0.528 -4.445 159 MD ILE 22 QD1 ILE 22 -2.842 -1.653 -6.277 160 QG ILE 22 QG1 ILE 22 -3.895 -0.141 -4.630 161 H GLY 23 H GLY 23 -2.576 -2.809 -1.302 162 1HA GLY 23 3HA GLY 23 -2.269 -3.332 0.940 163 2HA GLY 23 2HA GLY 23 -1.447 -1.773 1.059 164 QA GLY 23 QA GLY 23 -1.447 -1.773 1.059 165 H ASN 24 H ASN 24 -0.721 -4.965 -0.373 166 HA ASN 24 HA ASN 24 1.475 -5.645 1.330 167 1HD2 ASN 24 1HD2 ASN 24 2.601 -7.493 -2.341 168 2HD2 ASN 24 2HD2 ASN 24 3.703 -8.488 -1.402 169 QB ASN 24 QB ASN 24 0.680 -6.641 -1.447 170 QD ASN 24 QD2 ASN 24 3.152 -7.990 -1.872 171 H ILE 25 H ILE 25 1.509 -4.356 -1.991 172 HA ILE 25 HA ILE 25 4.336 -4.127 -2.350 173 HB ILE 25 HB ILE 25 2.025 -2.605 -3.564 174 1HG2 ILE 25 2HG2 ILE 25 5.001 -2.537 -4.379 175 2HG2 ILE 25 3HG2 ILE 25 3.646 -1.865 -5.351 176 3HG2 ILE 25 1HG2 ILE 25 4.053 -1.172 -3.801 177 1HD1 ILE 25 2HD1 ILE 25 1.017 -3.681 -5.517 178 2HD1 ILE 25 3HD1 ILE 25 2.496 -3.437 -6.479 179 3HD1 ILE 25 1HD1 ILE 25 1.833 -5.065 -6.298 180 MG ILE 25 QG2 ILE 25 4.233 -1.858 -4.510 181 MD ILE 25 QD1 ILE 25 1.782 -4.061 -6.098 182 QG ILE 25 QG1 ILE 25 2.330 -5.129 -3.956 183 H GLY 26 H GLY 26 2.017 -1.784 -1.001 184 1HA GLY 26 3HA GLY 26 2.205 -0.055 0.445 185 2HA GLY 26 2HA GLY 26 3.586 0.451 -0.516 186 QA GLY 26 QA GLY 26 3.586 0.451 -0.516 187 H ASN 27 H ASN 27 2.769 -2.005 2.014 188 HA ASN 27 HA ASN 27 5.002 -1.046 3.643 189 1HD2 ASN 27 1HD2 ASN 27 4.565 -0.478 5.841 190 2HD2 ASN 27 2HD2 ASN 27 5.461 -1.285 7.107 191 QB ASN 27 QB ASN 27 3.398 -3.522 4.247 192 QD ASN 27 QD2 ASN 27 5.013 -0.882 6.474 193 H ASN 28 H ASN 28 4.993 -3.510 1.127 194 HA ASN 28 HA ASN 28 7.447 -4.737 1.930 195 1HD2 ASN 28 1HD2 ASN 28 8.252 -4.104 -2.102 196 2HD2 ASN 28 2HD2 ASN 28 9.461 -5.392 -2.015 197 QB ASN 28 QB ASN 28 6.365 -4.176 -0.846 198 QD ASN 28 QD2 ASN 28 8.856 -4.748 -2.058 199 H ALA 29 H ALA 29 6.920 -1.869 -0.233 200 HA ALA 29 HA ALA 29 9.658 -1.040 -0.405 201 1HB ALA 29 2HB ALA 29 7.108 0.625 -0.627 202 2HB ALA 29 3HB ALA 29 8.751 1.090 -1.143 203 3HB ALA 29 1HB ALA 29 7.914 -0.240 -1.951 204 MB ALA 29 QB ALA 29 7.924 0.492 -1.240 205 H ALA 30 H ALA 30 7.029 0.025 1.834 206 HA ALA 30 HA ALA 30 8.839 1.573 3.470 207 1HB ALA 30 2HB ALA 30 6.399 2.055 3.200 208 2HB ALA 30 1HB ALA 30 6.867 1.945 4.891 209 3HB ALA 30 3HB ALA 30 6.034 0.586 4.143 210 MB ALA 30 QB ALA 30 6.433 1.528 4.078 211 H ALA 31 H ALA 31 8.741 -1.844 3.285 212 HA ALA 31 HA ALA 31 9.951 -1.917 6.014 213 1HB ALA 31 3HB ALA 31 9.220 -4.193 4.128 214 2HB ALA 31 1HB ALA 31 9.907 -4.354 5.775 215 3HB ALA 31 2HB ALA 31 8.286 -3.667 5.552 216 MB ALA 31 QB ALA 31 9.138 -4.071 5.152 217 H ASN 32 H ASN 32 10.930 -1.792 2.681 218 HA ASN 32 HA ASN 32 13.760 -2.237 3.317 219 1HD2 ASN 32 1HD2 ASN 32 13.899 -3.639 1.612 220 2HD2 ASN 32 2HD2 ASN 32 13.135 -4.077 0.090 221 QB ASN 32 QB ASN 32 14.258 -0.776 1.425 222 QD ASN 32 QD2 ASN 32 13.517 -3.858 0.851 223 H TRP 33 H TRP 33 11.600 0.606 3.470 224 HA TRP 33 HA TRP 33 13.405 2.302 5.079 225 HD1 TRP 33 HD TRP 33 13.161 4.946 5.303 226 HE1 TRP 33 1HE TRP 33 12.647 5.785 7.749 227 HE3 TRP 33 3HE TRP 33 8.776 2.800 5.735 228 HZ2 TRP 33 2HZ TRP 33 11.125 4.393 9.824 229 HZ3 TRP 33 3HZ TRP 33 7.978 2.040 7.987 230 HH2 TRP 33 HH TRP 33 9.372 2.524 9.888 231 QB TRP 33 QB TRP 33 10.465 2.523 4.372 232 H ALA 34 H ALA 34 10.740 0.175 6.267 233 HA ALA 34 HA ALA 34 11.312 1.055 8.922 234 1HB ALA 34 1HB ALA 34 10.024 -1.590 8.134 235 2HB ALA 34 3HB ALA 34 9.146 -0.035 8.215 236 3HB ALA 34 2HB ALA 34 9.906 -0.753 9.675 237 MB ALA 34 QB ALA 34 9.692 -0.793 8.675 238 H THR 35 H THR 35 12.712 -1.501 6.982 239 HA THR 35 HA THR 35 14.391 -2.439 9.292 240 HB THR 35 HB THR 35 12.903 -4.256 7.343 241 HG1 THR 35 1HG THR 35 11.709 -4.708 9.273 242 1HG2 THR 35 1HG2 THR 35 14.384 -4.835 9.928 243 2HG2 THR 35 3HG2 THR 35 13.510 -6.014 8.933 244 3HG2 THR 35 2HG2 THR 35 14.972 -5.241 8.291 245 MG THR 35 QG2 THR 35 14.289 -5.363 9.051 246 H GLY 36 H GLY 36 14.126 -3.249 5.750 247 1HA GLY 36 3HA GLY 36 15.764 -4.016 4.332 248 2HA GLY 36 2HA GLY 36 16.656 -4.482 5.780 249 QA GLY 36 QA GLY 36 16.656 -4.482 5.780 250 H GLY 37 H GLY 37 15.930 -1.126 5.010 251 1HA GLY 37 3HA GLY 37 17.574 0.164 3.611 252 2HA GLY 37 2HA GLY 37 18.826 -0.460 4.704 253 QA GLY 37 QA GLY 37 18.826 -0.460 4.704 254 H ASN 38 H ASN 38 16.671 -0.146 6.915 255 HA ASN 38 HA ASN 38 15.593 2.390 7.140 256 1HD2 ASN 38 1HD2 ASN 38 13.790 2.698 8.885 257 2HD2 ASN 38 2HD2 ASN 38 14.119 3.581 10.386 258 QB ASN 38 QB ASN 38 16.708 0.561 9.327 259 QD ASN 38 QD2 ASN 38 13.955 3.139 9.635 260 H ALA 39 H ALA 39 18.823 1.511 8.328 261 HA ALA 39 HA ALA 39 19.501 4.432 8.529 262 1HB ALA 39 1HB ALA 39 21.161 3.742 10.197 263 2HB ALA 39 2HB ALA 39 19.534 3.160 10.631 264 3HB ALA 39 3HB ALA 39 20.731 2.039 9.953 265 MB ALA 39 QB ALA 39 20.475 2.980 10.260 266 H GLY 40 H GLY 40 19.881 2.102 6.256 267 1HA GLY 40 3HA GLY 40 22.070 1.131 5.519 268 2HA GLY 40 2HA GLY 40 22.782 2.732 5.642 269 QA GLY 40 QA GLY 40 22.782 2.732 5.642 270 H TRP 41 H TRP 41 19.564 2.641 4.248 271 HA TRP 41 HA TRP 41 20.712 3.116 1.525 272 HD1 TRP 41 HD TRP 41 21.693 0.847 1.482 273 HE1 TRP 41 1HE TRP 41 21.887 -1.701 1.361 274 HE3 TRP 41 3HE TRP 41 16.719 -0.331 1.227 275 HZ2 TRP 41 2HZ TRP 41 20.105 -3.976 1.205 276 HZ3 TRP 41 3HZ TRP 41 15.991 -2.684 1.077 277 HH2 TRP 41 HH TRP 41 17.666 -4.512 1.089 278 QB TRP 41 QB TRP 41 18.660 2.152 0.566 279 H ASN 42 H ASN 42 19.336 4.485 0.161 280 HA ASN 42 HA ASN 42 18.584 6.532 -0.264 281 1HD2 ASN 42 1HD2 ASN 42 15.595 3.588 0.838 282 2HD2 ASN 42 2HD2 ASN 42 15.009 3.859 2.482 283 QB ASN 42 QB ASN 42 16.593 5.188 -0.345 284 QD ASN 42 QD2 ASN 42 15.302 3.724 1.660 285 H LYS 43 H LYS 43 20.207 6.581 2.128 286 HA LYS 43 HA LYS 43 20.075 9.437 2.598 287 1HZ LYS 43 2HZ LYS 43 17.777 5.481 4.673 288 2HZ LYS 43 1HZ LYS 43 17.177 4.916 6.098 289 3HZ LYS 43 3HZ LYS 43 16.183 5.553 4.955 290 QB LYS 43 QB LYS 43 18.473 8.687 4.265 291 QD LYS 43 QD LYS 43 18.743 8.155 7.049 292 QG LYS 43 QG LYS 43 20.747 7.359 5.783 293 QE LYS 43 QE LYS 43 16.974 7.751 5.328 294 QZ LYS 43 QZ LYS 43 17.046 5.316 5.242 No H/Q in entry = 294 Start of MODEL 9 1 H1 LYS 1 2H LYS 1 -13.648 8.848 -0.641 2 H2 LYS 1 1H LYS 1 -14.705 10.042 -0.247 3 H3 LYS 1 3H LYS 1 -15.238 8.584 -0.736 4 HA LYS 1 HA LYS 1 -15.527 10.098 -2.539 5 1HZ LYS 1 1HZ LYS 1 -14.658 15.431 -3.273 6 2HZ LYS 1 3HZ LYS 1 -15.521 14.600 -2.154 7 3HZ LYS 1 2HZ LYS 1 -14.995 16.116 -1.838 8 QB LYS 1 QB LYS 1 -13.512 11.046 -3.663 9 QD LYS 1 QD LYS 1 -13.059 13.474 -3.431 10 QG LYS 1 QG LYS 1 -13.864 12.058 -0.822 11 QE LYS 1 QE LYS 1 -12.686 15.426 -1.814 12 QZ LYS 1 QZ LYS 1 -15.058 15.382 -2.422 13 H TYR 2 H TYR 2 -16.042 8.747 -4.181 14 HA TYR 2 HA TYR 2 -14.304 6.644 -5.158 15 HD1 TYR 2 1HD TYR 2 -15.720 7.821 -8.484 16 HD2 TYR 2 2HD TYR 2 -16.762 4.372 -6.108 17 HE1 TYR 2 1HE TYR 2 -15.600 6.408 -10.490 18 HE2 TYR 2 2HE TYR 2 -16.643 2.955 -8.061 19 HH TYR 2 HH TYR 2 -16.304 2.900 -10.354 20 QB TYR 2 QB TYR 2 -16.896 7.920 -6.094 21 QD TYR 2 QD TYR 2 -16.241 6.096 -7.296 22 QE TYR 2 QE TYR 2 -16.122 4.682 -9.275 23 QR TYR 2 QR TYR 2 -16.181 5.389 -8.286 24 H TYR 3 H TYR 3 -13.106 6.882 -7.111 25 HA TYR 3 HA TYR 3 -12.658 9.666 -8.121 26 HD1 TYR 3 1HD TYR 3 -10.857 11.295 -7.499 27 HD2 TYR 3 2HD TYR 3 -10.636 8.003 -4.683 28 HE1 TYR 3 1HE TYR 3 -10.337 12.880 -5.659 29 HE2 TYR 3 2HE TYR 3 -10.057 9.631 -2.889 30 HH TYR 3 HH TYR 3 -9.627 13.081 -3.536 31 QB TYR 3 QB TYR 3 -10.224 8.900 -8.196 32 QD TYR 3 QD TYR 3 -10.746 9.649 -6.091 33 QE TYR 3 QE TYR 3 -10.197 11.255 -4.274 34 QR TYR 3 QR TYR 3 -10.472 10.452 -5.182 35 H GLY 4 H GLY 4 -11.843 9.896 -10.248 36 1HA GLY 4 3HA GLY 4 -12.035 9.541 -12.470 37 2HA GLY 4 2HA GLY 4 -13.225 8.308 -12.092 38 QA GLY 4 QA GLY 4 -13.225 8.308 -12.092 39 H ASN 5 H ASN 5 -9.995 7.777 -10.947 40 HA ASN 5 HA ASN 5 -9.157 6.038 -13.136 41 1HD2 ASN 5 1HD2 ASN 5 -5.845 6.376 -9.922 42 2HD2 ASN 5 2HD2 ASN 5 -6.652 6.472 -8.353 43 QB ASN 5 QB ASN 5 -7.507 7.332 -11.824 44 QD ASN 5 QD2 ASN 5 -6.248 6.424 -9.138 45 H GLY 6 H GLY 6 -11.398 5.646 -10.610 46 1HA GLY 6 3HA GLY 6 -11.431 2.710 -10.970 47 2HA GLY 6 2HA GLY 6 -12.813 3.727 -10.593 48 QA GLY 6 QA GLY 6 -12.813 3.727 -10.593 49 H VAL 7 H VAL 7 -10.305 4.807 -8.618 50 HA VAL 7 HA VAL 7 -10.397 2.881 -6.467 51 HB VAL 7 HB VAL 7 -9.497 5.777 -6.803 52 1HG1 VAL 7 1HG1 VAL 7 -9.244 4.071 -4.319 53 2HG1 VAL 7 2HG1 VAL 7 -8.280 5.535 -4.626 54 3HG1 VAL 7 3HG1 VAL 7 -10.037 5.674 -4.473 55 1HG2 VAL 7 2HG2 VAL 7 -8.147 3.983 -7.902 56 2HG2 VAL 7 3HG2 VAL 7 -7.249 4.853 -6.651 57 3HG2 VAL 7 1HG2 VAL 7 -7.885 3.228 -6.317 58 MG1 VAL 7 QG1 VAL 7 -9.187 5.093 -4.473 59 MG2 VAL 7 QG2 VAL 7 -7.760 4.021 -6.957 60 QG VAL 7 QQG VAL 7 -8.474 4.557 -5.715 61 H HIS 8 H HIS 8 -11.435 2.960 -4.512 62 HA HIS 8 HA HIS 8 -13.485 5.046 -3.969 63 HD1 HIS 8 1HD HIS 8 -14.407 3.519 -6.339 64 HD2 HIS 8 2HD HIS 8 -14.354 0.164 -3.805 65 HE1 HIS 8 1HE HIS 8 -14.515 1.434 -7.876 66 HE2 HIS 8 2HE HIS 8 -14.484 -0.587 -6.324 67 QB HIS 8 QB HIS 8 -14.995 3.526 -3.198 68 H CYS 9 H CYS 9 -12.246 6.386 -2.731 69 HA CYS 9 HA CYS 9 -10.617 5.340 -0.487 70 QB CYS 9 QB CYS 9 -10.245 7.781 -0.062 71 H GLY 10 H GLY 10 -12.291 4.237 0.576 72 1HA GLY 10 3HA GLY 10 -13.751 3.959 2.359 73 2HA GLY 10 2HA GLY 10 -14.400 5.590 2.099 74 QA GLY 10 QA GLY 10 -14.400 5.590 2.099 75 H LYS 11 H LYS 11 -12.981 7.350 2.823 76 HA LYS 11 HA LYS 11 -11.819 8.582 4.280 77 1HZ LYS 11 1HZ LYS 11 -15.430 9.823 8.242 78 2HZ LYS 11 3HZ LYS 11 -15.759 9.451 6.692 79 3HZ LYS 11 2HZ LYS 11 -16.917 9.300 7.846 80 QB LYS 11 QB LYS 11 -11.510 7.868 6.601 81 QD LYS 11 QD LYS 11 -13.428 8.237 8.253 82 QG LYS 11 QG LYS 11 -14.267 7.029 5.579 83 QE LYS 11 QE LYS 11 -15.705 7.516 8.948 84 QZ LYS 11 QZ LYS 11 -16.035 9.525 7.594 85 H HIS 12 H HIS 12 -10.471 5.354 4.476 86 HA HIS 12 HA HIS 12 -7.666 6.387 4.150 87 HD1 HIS 12 1HD HIS 12 -9.492 2.565 5.106 88 HD2 HIS 12 2HD HIS 12 -9.481 5.351 8.283 89 HE1 HIS 12 1HE HIS 12 -11.216 1.753 6.762 90 HE2 HIS 12 2HE HIS 12 -11.295 3.461 8.679 91 QB HIS 12 QB HIS 12 -7.906 5.957 6.471 92 H SER 13 H SER 13 -9.893 3.965 3.061 93 HA SER 13 HA SER 13 -7.835 1.948 2.712 94 HG SER 13 HG SER 13 -10.849 0.637 3.708 95 QB SER 13 QB SER 13 -9.644 0.559 1.828 96 H CYS 14 H CYS 14 -9.387 4.123 0.438 97 HA CYS 14 HA CYS 14 -9.293 4.373 -1.868 98 QB CYS 14 QB CYS 14 -6.958 4.884 -2.571 99 H THR 15 H THR 15 -10.160 1.984 -1.733 100 HA THR 15 HA THR 15 -8.476 0.004 -3.186 101 HB THR 15 HB THR 15 -11.173 -0.182 -1.776 102 HG1 THR 15 1HG THR 15 -9.891 -1.419 -0.341 103 1HG2 THR 15 2HG2 THR 15 -9.487 -2.376 -3.040 104 2HG2 THR 15 1HG2 THR 15 -10.878 -2.657 -1.975 105 3HG2 THR 15 3HG2 THR 15 -11.129 -1.875 -3.538 106 MG THR 15 QG2 THR 15 -10.498 -2.303 -2.851 107 H VAL 16 H VAL 16 -8.636 -0.172 -5.347 108 HA VAL 16 HA VAL 16 -11.000 0.575 -6.982 109 HB VAL 16 HB VAL 16 -8.731 -1.370 -7.641 110 1HG1 VAL 16 3HG1 VAL 16 -10.675 -1.586 -9.149 111 2HG1 VAL 16 1HG1 VAL 16 -10.561 0.162 -9.515 112 3HG1 VAL 16 2HG1 VAL 16 -9.245 -0.954 -9.946 113 1HG2 VAL 16 2HG2 VAL 16 -7.884 0.944 -7.114 114 2HG2 VAL 16 3HG2 VAL 16 -7.531 0.288 -8.693 115 3HG2 VAL 16 1HG2 VAL 16 -8.827 1.523 -8.525 116 MG1 VAL 16 QG1 VAL 16 -10.160 -0.792 -9.537 117 MG2 VAL 16 QG2 VAL 16 -8.081 0.918 -8.111 118 QG VAL 16 QQG VAL 16 -9.120 0.063 -8.824 119 H ASP 17 H ASP 17 -9.465 -2.304 -5.949 120 HA ASP 17 HA ASP 17 -11.494 -3.972 -4.992 121 QB ASP 17 QB ASP 17 -10.668 -4.494 -7.892 122 H TRP 18 H TRP 18 -8.537 -3.827 -6.898 123 HA TRP 18 HA TRP 18 -7.114 -5.893 -5.473 124 HD1 TRP 18 HD TRP 18 -4.721 -4.739 -9.525 125 HE1 TRP 18 1HE TRP 18 -3.704 -2.430 -9.980 126 HE3 TRP 18 3HE TRP 18 -7.098 -2.097 -5.850 127 HZ2 TRP 18 2HZ TRP 18 -3.620 0.156 -8.597 128 HZ3 TRP 18 3HZ TRP 18 -6.413 0.093 -5.294 129 HH2 TRP 18 HH TRP 18 -4.664 1.294 -6.618 130 QB TRP 18 QB TRP 18 -6.973 -5.427 -7.887 131 H GLY 19 H GLY 19 -7.893 -3.508 -3.809 132 1HA GLY 19 3HA GLY 19 -7.014 -2.119 -2.168 133 2HA GLY 19 2HA GLY 19 -5.625 -1.899 -3.194 134 QA GLY 19 QA GLY 19 -5.625 -1.899 -3.194 135 H THR 20 H THR 20 -6.364 -5.138 -2.134 136 HA THR 20 HA THR 20 -4.340 -5.403 -0.104 137 HB THR 20 HB THR 20 -5.380 -7.514 -2.021 138 HG1 THR 20 1HG THR 20 -6.789 -7.938 -0.263 139 1HG2 THR 20 1HG2 THR 20 -4.067 -7.777 0.713 140 2HG2 THR 20 3HG2 THR 20 -4.902 -9.084 -0.156 141 3HG2 THR 20 2HG2 THR 20 -3.442 -8.365 -0.836 142 MG THR 20 QG2 THR 20 -4.137 -8.409 -0.093 143 H ALA 21 H ALA 21 -4.152 -5.546 -3.663 144 HA ALA 21 HA ALA 21 -1.467 -6.617 -3.823 145 1HB ALA 21 3HB ALA 21 -3.187 -6.676 -5.708 146 2HB ALA 21 1HB ALA 21 -2.935 -4.947 -5.922 147 3HB ALA 21 2HB ALA 21 -1.579 -6.043 -6.159 148 MB ALA 21 QB ALA 21 -2.567 -5.889 -5.929 149 H ILE 22 H ILE 22 -2.752 -3.306 -4.395 150 HA ILE 22 HA ILE 22 -0.132 -2.117 -4.318 151 HB ILE 22 HB ILE 22 -1.299 0.077 -3.846 152 1HG2 ILE 22 3HG2 ILE 22 -0.733 -0.745 -6.139 153 2HG2 ILE 22 1HG2 ILE 22 -2.330 -1.515 -6.234 154 3HG2 ILE 22 2HG2 ILE 22 -2.183 0.262 -6.095 155 1HD1 ILE 22 1HD1 ILE 22 -3.717 1.170 -4.576 156 2HD1 ILE 22 2HD1 ILE 22 -4.944 0.561 -3.419 157 3HD1 ILE 22 3HD1 ILE 22 -3.399 1.187 -2.832 158 MG ILE 22 QG2 ILE 22 -1.749 -0.666 -6.156 159 MD ILE 22 QD1 ILE 22 -4.020 0.973 -3.609 160 QG ILE 22 QG1 ILE 22 -3.349 -1.158 -2.726 161 H GLY 23 H GLY 23 -2.454 -2.628 -1.703 162 1HA GLY 23 3HA GLY 23 -2.140 -2.924 0.552 163 2HA GLY 23 2HA GLY 23 -1.189 -1.437 0.504 164 QA GLY 23 QA GLY 23 -1.189 -1.437 0.504 165 H ASN 24 H ASN 24 -0.673 -4.803 -0.661 166 HA ASN 24 HA ASN 24 1.433 -5.497 1.144 167 1HD2 ASN 24 1HD2 ASN 24 2.651 -7.580 -2.337 168 2HD2 ASN 24 2HD2 ASN 24 3.633 -8.601 -1.291 169 QB ASN 24 QB ASN 24 0.743 -6.582 -1.626 170 QD ASN 24 QD2 ASN 24 3.142 -8.090 -1.814 171 H ILE 25 H ILE 25 1.647 -4.360 -2.237 172 HA ILE 25 HA ILE 25 4.495 -4.258 -2.449 173 HB ILE 25 HB ILE 25 2.393 -2.576 -3.837 174 1HG2 ILE 25 1HG2 ILE 25 5.355 -2.932 -4.532 175 2HG2 ILE 25 2HG2 ILE 25 4.156 -2.151 -5.572 176 3HG2 ILE 25 3HG2 ILE 25 4.567 -1.437 -4.025 177 1HD1 ILE 25 1HD1 ILE 25 1.364 -3.657 -5.836 178 2HD1 ILE 25 2HD1 ILE 25 2.900 -3.600 -6.721 179 3HD1 ILE 25 3HD1 ILE 25 2.073 -5.145 -6.515 180 MG ILE 25 QG2 ILE 25 4.692 -2.173 -4.709 181 MD ILE 25 QD1 ILE 25 2.112 -4.134 -6.357 182 QG ILE 25 QG1 ILE 25 2.443 -5.178 -4.149 183 H GLY 26 H GLY 26 2.231 -1.698 -1.419 184 1HA GLY 26 3HA GLY 26 2.463 0.152 -0.080 185 2HA GLY 26 2HA GLY 26 4.047 0.407 -0.821 186 QA GLY 26 QA GLY 26 4.047 0.407 -0.821 187 H ASN 27 H ASN 27 2.837 -2.208 1.392 188 HA ASN 27 HA ASN 27 4.464 -1.234 3.557 189 1HD2 ASN 27 1HD2 ASN 27 3.167 -1.219 5.644 190 2HD2 ASN 27 2HD2 ASN 27 3.915 -2.113 6.964 191 QB ASN 27 QB ASN 27 3.241 -3.989 3.350 192 QD ASN 27 QD2 ASN 27 3.541 -1.666 6.304 193 H ASN 28 H ASN 28 5.071 -3.697 1.073 194 HA ASN 28 HA ASN 28 7.541 -4.712 2.114 195 1HD2 ASN 28 1HD2 ASN 28 8.290 -4.500 -2.098 196 2HD2 ASN 28 2HD2 ASN 28 9.649 -5.598 -1.852 197 QB ASN 28 QB ASN 28 6.509 -4.464 -0.743 198 QD ASN 28 QD2 ASN 28 8.970 -5.049 -1.975 199 H ALA 29 H ALA 29 6.895 -1.947 -0.090 200 HA ALA 29 HA ALA 29 9.614 -0.966 -0.157 201 1HB ALA 29 1HB ALA 29 6.968 0.507 -0.546 202 2HB ALA 29 2HB ALA 29 8.568 1.167 -0.892 203 3HB ALA 29 3HB ALA 29 7.975 -0.235 -1.806 204 MB ALA 29 QB ALA 29 7.837 0.480 -1.081 205 H ALA 30 H ALA 30 6.878 -0.028 1.983 206 HA ALA 30 HA ALA 30 8.438 1.717 3.580 207 1HB ALA 30 2HB ALA 30 5.968 1.766 3.496 208 2HB ALA 30 1HB ALA 30 6.541 1.700 5.152 209 3HB ALA 30 3HB ALA 30 5.918 0.216 4.408 210 MB ALA 30 QB ALA 30 6.142 1.227 4.352 211 H ALA 31 H ALA 31 8.555 -1.718 3.667 212 HA ALA 31 HA ALA 31 10.145 -1.625 6.210 213 1HB ALA 31 3HB ALA 31 9.202 -4.030 4.575 214 2HB ALA 31 1HB ALA 31 10.061 -4.075 6.125 215 3HB ALA 31 2HB ALA 31 8.422 -3.372 6.047 216 MB ALA 31 QB ALA 31 9.228 -3.826 5.582 217 H ASN 32 H ASN 32 10.655 -1.825 2.828 218 HA ASN 32 HA ASN 32 13.619 -1.595 3.169 219 1HD2 ASN 32 1HD2 ASN 32 11.164 -3.362 0.976 220 2HD2 ASN 32 2HD2 ASN 32 12.349 -4.456 0.299 221 QB ASN 32 QB ASN 32 13.421 -0.588 0.902 222 QD ASN 32 QD2 ASN 32 11.756 -3.909 0.637 223 H TRP 33 H TRP 33 10.949 0.220 4.071 224 HA TRP 33 HA TRP 33 10.909 2.149 5.447 225 HD1 TRP 33 HD TRP 33 13.072 3.322 7.969 226 HE1 TRP 33 1HE TRP 33 11.482 4.290 9.703 227 HE3 TRP 33 3HE TRP 33 9.572 -0.450 8.110 228 HZ2 TRP 33 2HZ TRP 33 8.693 3.897 10.396 229 HZ3 TRP 33 3HZ TRP 33 7.363 -0.007 9.118 230 HH2 TRP 33 HH TRP 33 6.853 2.196 10.081 231 QB TRP 33 QB TRP 33 13.154 0.651 6.816 232 H ALA 34 H ALA 34 14.268 1.378 5.472 233 HA ALA 34 HA ALA 34 15.546 3.829 5.877 234 1HB ALA 34 2HB ALA 34 16.318 1.206 4.496 235 2HB ALA 34 3HB ALA 34 17.469 2.384 5.147 236 3HB ALA 34 1HB ALA 34 16.378 1.520 6.239 237 MB ALA 34 QB ALA 34 16.722 1.703 5.294 238 H THR 35 H THR 35 14.427 2.430 2.797 239 HA THR 35 HA THR 35 14.414 5.135 1.911 240 HB THR 35 HB THR 35 16.785 4.149 1.182 241 HG1 THR 35 1HG THR 35 16.864 5.993 -0.021 242 1HG2 THR 35 1HG2 THR 35 15.763 2.689 -0.646 243 2HG2 THR 35 3HG2 THR 35 15.131 4.155 -1.392 244 3HG2 THR 35 2HG2 THR 35 16.886 3.921 -1.236 245 MG THR 35 QG2 THR 35 15.926 3.588 -1.091 246 H GLY 36 H GLY 36 13.382 1.889 1.212 247 1HA GLY 36 3HA GLY 36 11.603 2.798 -1.019 248 2HA GLY 36 2HA GLY 36 11.100 1.602 0.188 249 QA GLY 36 QA GLY 36 11.100 1.602 0.188 250 H GLY 37 H GLY 37 14.350 1.595 -0.879 251 1HA GLY 37 3HA GLY 37 14.720 -0.232 -2.909 252 2HA GLY 37 2HA GLY 37 14.293 -1.245 -1.516 253 QA GLY 37 QA GLY 37 14.293 -1.245 -1.516 254 H ASN 38 H ASN 38 15.410 -0.244 0.591 255 HA ASN 38 HA ASN 38 18.342 -0.066 -0.003 256 1HD2 ASN 38 1HD2 ASN 38 19.692 2.175 0.139 257 2HD2 ASN 38 2HD2 ASN 38 20.870 2.238 1.443 258 QB ASN 38 QB ASN 38 16.919 1.403 2.236 259 QD ASN 38 QD2 ASN 38 20.281 2.206 0.791 260 H ALA 39 H ALA 39 16.811 -0.299 3.156 261 HA ALA 39 HA ALA 39 18.716 -2.280 3.982 262 1HB ALA 39 3HB ALA 39 17.849 -0.517 5.452 263 2HB ALA 39 1HB ALA 39 16.233 -1.249 5.404 264 3HB ALA 39 2HB ALA 39 17.599 -2.124 6.141 265 MB ALA 39 QB ALA 39 17.227 -1.297 5.666 266 H GLY 40 H GLY 40 15.731 -2.823 2.380 267 1HA GLY 40 3HA GLY 40 14.207 -4.619 2.427 268 2HA GLY 40 2HA GLY 40 15.159 -5.399 3.694 269 QA GLY 40 QA GLY 40 15.159 -5.399 3.694 270 H TRP 41 H TRP 41 15.478 -4.418 0.300 271 HA TRP 41 HA TRP 41 16.628 -7.109 -0.337 272 HD1 TRP 41 HD TRP 41 14.829 -7.045 -4.305 273 HE1 TRP 41 1HE TRP 41 14.762 -9.569 -4.859 274 HE3 TRP 41 3HE TRP 41 15.105 -8.923 0.428 275 HZ2 TRP 41 2HZ TRP 41 14.836 -12.057 -3.451 276 HZ3 TRP 41 3HZ TRP 41 15.101 -11.392 0.819 277 HH2 TRP 41 HH TRP 41 14.953 -12.961 -1.106 278 QB TRP 41 QB TRP 41 14.797 -5.593 -2.174 279 H ASN 42 H ASN 42 18.015 -4.343 -0.181 280 HA ASN 42 HA ASN 42 19.505 -4.664 -2.751 281 1HD2 ASN 42 1HD2 ASN 42 18.821 -3.569 -4.727 282 2HD2 ASN 42 2HD2 ASN 42 19.831 -2.334 -5.475 283 QB ASN 42 QB ASN 42 18.909 -1.986 -1.474 284 QD ASN 42 QD2 ASN 42 19.326 -2.951 -5.101 285 H LYS 43 H LYS 43 20.193 -5.706 -0.218 286 HA LYS 43 HA LYS 43 22.908 -4.546 -0.019 287 1HZ LYS 43 3HZ LYS 43 17.711 -7.269 3.270 288 2HZ LYS 43 2HZ LYS 43 17.968 -7.805 4.806 289 3HZ LYS 43 1HZ LYS 43 17.875 -6.206 4.502 290 QB LYS 43 QB LYS 43 21.521 -3.811 1.973 291 QD LYS 43 QD LYS 43 19.790 -6.394 1.880 292 QG LYS 43 QG LYS 43 21.752 -5.286 3.939 293 QE LYS 43 QE LYS 43 20.111 -6.725 4.893 294 QZ LYS 43 QZ LYS 43 17.851 -7.093 4.193 No H/Q in entry = 294 Start of MODEL 10 1 H1 LYS 1 2H LYS 1 -24.888 -3.049 -3.842 2 H2 LYS 1 1H LYS 1 -26.086 -4.145 -4.057 3 H3 LYS 1 3H LYS 1 -24.685 -4.595 -3.341 4 HA LYS 1 HA LYS 1 -24.688 -5.412 -5.601 5 1HZ LYS 1 2HZ LYS 1 -25.938 -1.927 -11.285 6 2HZ LYS 1 1HZ LYS 1 -27.162 -1.435 -10.300 7 3HZ LYS 1 3HZ LYS 1 -25.914 -0.453 -10.609 8 QB LYS 1 QB LYS 1 -24.832 -2.512 -6.489 9 QD LYS 1 QD LYS 1 -26.823 -3.540 -8.802 10 QG LYS 1 QG LYS 1 -25.171 -5.179 -7.937 11 QE LYS 1 QE LYS 1 -24.332 -1.905 -9.458 12 QZ LYS 1 QZ LYS 1 -26.338 -1.271 -10.731 13 H TYR 2 H TYR 2 -22.703 -5.670 -6.667 14 HA TYR 2 HA TYR 2 -20.735 -3.527 -6.511 15 HD1 TYR 2 1HD TYR 2 -21.403 -7.473 -5.106 16 HD2 TYR 2 2HD TYR 2 -17.825 -6.465 -7.310 17 HE1 TYR 2 1HE TYR 2 -20.974 -9.893 -5.524 18 HE2 TYR 2 2HE TYR 2 -17.396 -8.848 -7.714 19 HH TYR 2 HH TYR 2 -19.569 -11.419 -6.497 20 QB TYR 2 QB TYR 2 -20.027 -5.238 -4.787 21 QD TYR 2 QD TYR 2 -19.614 -6.969 -6.208 22 QE TYR 2 QE TYR 2 -19.185 -9.371 -6.619 23 QR TYR 2 QR TYR 2 -19.400 -8.170 -6.414 24 H TYR 3 H TYR 3 -19.530 -3.399 -8.429 25 HA TYR 3 HA TYR 3 -20.939 -4.113 -10.761 26 HD1 TYR 3 1HD TYR 3 -21.763 -2.246 -10.065 27 HD2 TYR 3 2HD TYR 3 -17.807 -0.590 -10.683 28 HE1 TYR 3 1HE TYR 3 -22.609 0.012 -9.568 29 HE2 TYR 3 2HE TYR 3 -18.690 1.654 -10.270 30 HH TYR 3 HH TYR 3 -20.540 2.922 -9.736 31 QB TYR 3 QB TYR 3 -19.040 -2.994 -11.897 32 QD TYR 3 QD TYR 3 -19.785 -1.418 -10.374 33 QE TYR 3 QE TYR 3 -20.650 0.833 -9.919 34 QR TYR 3 QR TYR 3 -20.217 -0.293 -10.146 35 H GLY 4 H GLY 4 -18.731 -6.156 -9.184 36 1HA GLY 4 3HA GLY 4 -18.170 -7.762 -11.639 37 2HA GLY 4 2HA GLY 4 -18.562 -8.426 -10.048 38 QA GLY 4 QA GLY 4 -18.562 -8.426 -10.048 39 H ASN 5 H ASN 5 -16.486 -9.495 -11.097 40 HA ASN 5 HA ASN 5 -14.188 -8.906 -9.541 41 1HD2 ASN 5 1HD2 ASN 5 -12.451 -10.504 -13.124 42 2HD2 ASN 5 2HD2 ASN 5 -13.661 -10.814 -14.376 43 QB ASN 5 QB ASN 5 -14.663 -11.130 -10.509 44 QD ASN 5 QD2 ASN 5 -13.056 -10.659 -13.750 45 H GLY 6 H GLY 6 -12.267 -7.796 -9.984 46 1HA GLY 6 3HA GLY 6 -11.645 -6.528 -12.506 47 2HA GLY 6 2HA GLY 6 -10.830 -6.339 -10.964 48 QA GLY 6 QA GLY 6 -10.830 -6.339 -10.964 49 H VAL 7 H VAL 7 -13.965 -5.463 -10.245 50 HA VAL 7 HA VAL 7 -13.329 -2.551 -10.627 51 HB VAL 7 HB VAL 7 -15.696 -2.170 -11.412 52 1HG1 VAL 7 2HG1 VAL 7 -13.630 -2.159 -12.881 53 2HG1 VAL 7 3HG1 VAL 7 -13.964 -3.870 -13.245 54 3HG1 VAL 7 1HG1 VAL 7 -15.137 -2.613 -13.699 55 1HG2 VAL 7 3HG2 VAL 7 -16.606 -4.479 -10.880 56 2HG2 VAL 7 1HG2 VAL 7 -16.818 -4.016 -12.574 57 3HG2 VAL 7 2HG2 VAL 7 -15.507 -5.144 -12.085 58 MG1 VAL 7 QG1 VAL 7 -14.244 -2.880 -13.275 59 MG2 VAL 7 QG2 VAL 7 -16.310 -4.546 -11.846 60 QG VAL 7 QQG VAL 7 -15.277 -3.713 -12.561 61 H HIS 8 H HIS 8 -15.930 -4.584 -9.239 62 HA HIS 8 HA HIS 8 -17.404 -4.320 -7.612 63 HD1 HIS 8 1HD HIS 8 -13.812 -5.289 -7.757 64 HD2 HIS 8 2HD HIS 8 -16.514 -6.675 -4.817 65 HE1 HIS 8 1HE HIS 8 -13.540 -7.773 -7.722 66 HE2 HIS 8 2HE HIS 8 -15.127 -8.668 -5.845 67 QB HIS 8 QB HIS 8 -16.552 -4.087 -5.323 68 H CYS 9 H CYS 9 -15.552 -1.464 -6.765 69 HA CYS 9 HA CYS 9 -16.114 0.609 -6.125 70 QB CYS 9 QB CYS 9 -18.517 0.880 -7.806 71 H GLY 10 H GLY 10 -19.150 -1.208 -6.044 72 1HA GLY 10 3HA GLY 10 -20.971 -1.194 -4.641 73 2HA GLY 10 2HA GLY 10 -20.676 0.524 -4.503 74 QA GLY 10 QA GLY 10 -20.676 0.524 -4.503 75 H LYS 11 H LYS 11 -18.185 -1.510 -3.259 76 HA LYS 11 HA LYS 11 -19.043 -1.828 -0.525 77 1HZ LYS 11 1HZ LYS 11 -14.070 -5.698 1.081 78 2HZ LYS 11 3HZ LYS 11 -14.574 -6.673 -0.141 79 3HZ LYS 11 2HZ LYS 11 -13.626 -5.373 -0.439 80 QB LYS 11 QB LYS 11 -16.182 -1.719 -1.620 81 QD LYS 11 QD LYS 11 -15.004 -3.458 1.449 82 QG LYS 11 QG LYS 11 -17.385 -3.009 0.872 83 QE LYS 11 QE LYS 11 -15.908 -4.867 -1.084 84 QZ LYS 11 QZ LYS 11 -14.090 -5.915 0.167 85 H HIS 12 H HIS 12 -17.008 0.555 -2.130 86 HA HIS 12 HA HIS 12 -17.725 2.766 -0.407 87 HD1 HIS 12 1HD HIS 12 -16.908 4.292 1.868 88 HD2 HIS 12 2HD HIS 12 -13.275 3.556 -0.147 89 HE1 HIS 12 1HE HIS 12 -15.480 6.416 2.156 90 HE2 HIS 12 2HE HIS 12 -13.275 5.960 0.947 91 QB HIS 12 QB HIS 12 -14.936 1.557 -0.071 92 H SER 13 H SER 13 -15.125 1.617 -2.567 93 HA SER 13 HA SER 13 -15.661 3.640 -4.567 94 HG SER 13 HG SER 13 -12.607 5.346 -4.650 95 QB SER 13 QB SER 13 -12.862 3.519 -3.363 96 H CYS 14 H CYS 14 -14.014 3.233 -6.399 97 HA CYS 14 HA CYS 14 -14.439 0.532 -7.408 98 QB CYS 14 QB CYS 14 -13.039 1.597 -9.334 99 H THR 15 H THR 15 -13.283 -0.465 -5.632 100 HA THR 15 HA THR 15 -10.473 -0.307 -5.189 101 HB THR 15 HB THR 15 -12.500 -2.422 -4.382 102 HG1 THR 15 1HG THR 15 -12.869 -0.276 -3.659 103 1HG2 THR 15 1HG2 THR 15 -9.674 -1.927 -3.352 104 2HG2 THR 15 3HG2 THR 15 -10.919 -2.789 -2.410 105 3HG2 THR 15 2HG2 THR 15 -10.352 -3.468 -3.920 106 MG THR 15 QG2 THR 15 -10.315 -2.728 -3.227 107 H VAL 16 H VAL 16 -12.030 -1.851 -7.741 108 HA VAL 16 HA VAL 16 -11.773 -3.505 -9.172 109 HB VAL 16 HB VAL 16 -9.744 -4.189 -10.105 110 1HG1 VAL 16 1HG1 VAL 16 -10.511 -1.749 -10.469 111 2HG1 VAL 16 2HG1 VAL 16 -9.259 -1.296 -9.276 112 3HG1 VAL 16 3HG1 VAL 16 -8.821 -2.076 -10.820 113 1HG2 VAL 16 2HG2 VAL 16 -8.305 -4.699 -8.343 114 2HG2 VAL 16 3HG2 VAL 16 -7.522 -3.591 -9.462 115 3HG2 VAL 16 1HG2 VAL 16 -8.089 -2.956 -7.927 116 MG1 VAL 16 QG1 VAL 16 -9.531 -1.707 -10.188 117 MG2 VAL 16 QG2 VAL 16 -7.972 -3.748 -8.577 118 QG VAL 16 QQG VAL 16 -8.751 -2.728 -9.383 119 H ASP 17 H ASP 17 -10.028 -4.221 -6.307 120 HA ASP 17 HA ASP 17 -10.618 -6.148 -4.867 121 QB ASP 17 QB ASP 17 -11.654 -7.643 -6.452 122 H TRP 18 H TRP 18 -8.225 -4.578 -6.564 123 HA TRP 18 HA TRP 18 -6.085 -6.326 -5.689 124 HD1 TRP 18 HD TRP 18 -3.855 -4.406 -9.359 125 HE1 TRP 18 1HE TRP 18 -3.333 -1.972 -9.603 126 HE3 TRP 18 3HE TRP 18 -7.075 -2.604 -5.819 127 HZ2 TRP 18 2HZ TRP 18 -3.954 0.516 -8.108 128 HZ3 TRP 18 3HZ TRP 18 -6.960 -0.343 -5.085 129 HH2 TRP 18 HH TRP 18 -5.328 1.268 -6.112 130 QB TRP 18 QB TRP 18 -6.228 -5.605 -8.037 131 H GLY 19 H GLY 19 -7.577 -4.267 -3.888 132 1HA GLY 19 3HA GLY 19 -7.035 -2.929 -2.046 133 2HA GLY 19 2HA GLY 19 -5.675 -2.342 -2.985 134 QA GLY 19 QA GLY 19 -5.675 -2.342 -2.985 135 H THR 20 H THR 20 -5.751 -5.780 -2.460 136 HA THR 20 HA THR 20 -3.799 -5.914 -0.291 137 HB THR 20 HB THR 20 -3.563 -8.248 -1.070 138 HG1 THR 20 1HG THR 20 -5.090 -8.955 -2.612 139 1HG2 THR 20 1HG2 THR 20 -5.236 -7.583 0.664 140 2HG2 THR 20 3HG2 THR 20 -6.471 -7.427 -0.610 141 3HG2 THR 20 2HG2 THR 20 -5.727 -8.997 -0.260 142 MG THR 20 QG2 THR 20 -5.811 -8.002 -0.069 143 H ALA 21 H ALA 21 -3.629 -5.699 -3.841 144 HA ALA 21 HA ALA 21 -0.874 -6.434 -4.180 145 1HB ALA 21 2HB ALA 21 -2.594 -6.464 -6.029 146 2HB ALA 21 3HB ALA 21 -2.598 -4.692 -6.031 147 3HB ALA 21 1HB ALA 21 -1.122 -5.583 -6.413 148 MB ALA 21 QB ALA 21 -2.105 -5.580 -6.157 149 H ILE 22 H ILE 22 -2.415 -3.244 -4.552 150 HA ILE 22 HA ILE 22 -0.056 -1.670 -4.231 151 HB ILE 22 HB ILE 22 -1.659 0.211 -3.645 152 1HG2 ILE 22 1HG2 ILE 22 -0.802 -0.251 -5.918 153 2HG2 ILE 22 2HG2 ILE 22 -2.205 -1.315 -6.208 154 3HG2 ILE 22 3HG2 ILE 22 -2.446 0.420 -5.932 155 1HD1 ILE 22 1HD1 ILE 22 -4.072 1.056 -4.071 156 2HD1 ILE 22 2HD1 ILE 22 -5.245 0.033 -3.215 157 3HD1 ILE 22 3HD1 ILE 22 -3.773 0.588 -2.391 158 MG ILE 22 QG2 ILE 22 -1.818 -0.382 -6.019 159 MD ILE 22 QD1 ILE 22 -4.363 0.559 -3.225 160 QG ILE 22 QG1 ILE 22 -3.533 -1.735 -2.993 161 H GLY 23 H GLY 23 -2.466 -2.611 -1.888 162 1HA GLY 23 3HA GLY 23 -2.160 -3.285 0.360 163 2HA GLY 23 2HA GLY 23 -1.554 -1.637 0.542 164 QA GLY 23 QA GLY 23 -1.554 -1.637 0.542 165 H ASN 24 H ASN 24 -0.390 -4.808 -0.738 166 HA ASN 24 HA ASN 24 1.751 -5.066 1.190 167 1HD2 ASN 24 1HD2 ASN 24 -0.919 -7.274 -0.256 168 2HD2 ASN 24 2HD2 ASN 24 -0.825 -8.323 1.167 169 QB ASN 24 QB ASN 24 2.522 -6.858 -0.551 170 QD ASN 24 QD2 ASN 24 -0.872 -7.798 0.455 171 H ILE 25 H ILE 25 1.781 -3.807 -2.154 172 HA ILE 25 HA ILE 25 4.606 -3.409 -2.384 173 HB ILE 25 HB ILE 25 2.260 -1.962 -3.625 174 1HG2 ILE 25 2HG2 ILE 25 5.227 -1.662 -4.313 175 2HG2 ILE 25 3HG2 ILE 25 3.894 -1.016 -5.272 176 3HG2 ILE 25 1HG2 ILE 25 4.146 -0.401 -3.661 177 1HD1 ILE 25 3HD1 ILE 25 1.436 -3.057 -5.688 178 2HD1 ILE 25 1HD1 ILE 25 2.944 -2.634 -6.538 179 3HD1 ILE 25 2HD1 ILE 25 2.385 -4.317 -6.500 180 MG ILE 25 QG2 ILE 25 4.422 -1.026 -4.415 181 MD ILE 25 QD1 ILE 25 2.255 -3.336 -6.242 182 QG ILE 25 QG1 ILE 25 2.763 -4.470 -4.121 183 H GLY 26 H GLY 26 2.100 -1.121 -1.217 184 1HA GLY 26 3HA GLY 26 2.155 0.485 0.434 185 2HA GLY 26 2HA GLY 26 3.679 1.005 -0.293 186 QA GLY 26 QA GLY 26 3.679 1.005 -0.293 187 H ASN 27 H ASN 27 2.692 -1.812 1.585 188 HA ASN 27 HA ASN 27 4.199 -1.458 3.955 189 1HD2 ASN 27 2HD2 ASN 27 4.582 -5.136 1.752 190 2HD2 ASN 27 1HD2 ASN 27 5.149 -6.244 2.983 191 QB ASN 27 QB ASN 27 2.806 -3.637 2.490 192 QD ASN 27 QD2 ASN 27 4.866 -5.690 2.367 193 H ASN 28 H ASN 28 5.184 -3.260 1.063 194 HA ASN 28 HA ASN 28 7.655 -4.160 2.140 195 1HD2 ASN 28 1HD2 ASN 28 7.362 -5.908 -2.094 196 2HD2 ASN 28 2HD2 ASN 28 9.024 -6.406 -1.869 197 QB ASN 28 QB ASN 28 6.608 -4.006 -0.743 198 QD ASN 28 QD2 ASN 28 8.193 -6.157 -1.982 199 H ALA 29 H ALA 29 6.831 -1.424 -0.024 200 HA ALA 29 HA ALA 29 9.510 -0.487 -0.112 201 1HB ALA 29 1HB ALA 29 6.887 1.122 -0.355 202 2HB ALA 29 3HB ALA 29 7.597 0.202 -1.694 203 3HB ALA 29 2HB ALA 29 8.453 1.591 -1.045 204 MB ALA 29 QB ALA 29 7.646 0.972 -1.031 205 H ALA 30 H ALA 30 6.802 0.464 2.062 206 HA ALA 30 HA ALA 30 8.233 2.499 3.416 207 1HB ALA 30 1HB ALA 30 5.772 2.234 3.558 208 2HB ALA 30 3HB ALA 30 6.475 2.245 5.185 209 3HB ALA 30 2HB ALA 30 5.991 0.712 4.463 210 MB ALA 30 QB ALA 30 6.079 1.730 4.402 211 H ALA 31 H ALA 31 8.811 -0.898 3.646 212 HA ALA 31 HA ALA 31 11.132 0.141 5.225 213 1HB ALA 31 2HB ALA 31 11.542 -2.310 5.896 214 2HB ALA 31 1HB ALA 31 10.044 -2.732 5.054 215 3HB ALA 31 3HB ALA 31 9.998 -1.691 6.498 216 MB ALA 31 QB ALA 31 10.528 -2.244 5.816 217 H ASN 32 H ASN 32 10.798 -2.370 2.746 218 HA ASN 32 HA ASN 32 13.626 -2.632 2.657 219 1HD2 ASN 32 1HD2 ASN 32 10.357 -5.525 1.693 220 2HD2 ASN 32 2HD2 ASN 32 10.935 -6.327 3.147 221 QB ASN 32 QB ASN 32 13.049 -4.162 0.693 222 QD ASN 32 QD2 ASN 32 10.646 -5.926 2.420 223 H TRP 33 H TRP 33 11.773 -0.231 1.142 224 HA TRP 33 HA TRP 33 13.297 -0.109 -1.269 225 HD1 TRP 33 HD TRP 33 10.710 2.861 -2.999 226 HE1 TRP 33 1HE TRP 33 9.187 1.491 -4.528 227 HE3 TRP 33 3HE TRP 33 11.794 -1.844 -1.259 228 HZ2 TRP 33 2HZ TRP 33 7.906 -1.170 -4.284 229 HZ3 TRP 33 3HZ TRP 33 10.255 -3.680 -1.670 230 HH2 TRP 33 HH TRP 33 8.202 -3.314 -2.919 231 QB TRP 33 QB TRP 33 11.990 2.402 -0.604 232 H ALA 34 H ALA 34 13.480 1.293 1.905 233 HA ALA 34 HA ALA 34 15.834 3.035 1.304 234 1HB ALA 34 1HB ALA 34 13.208 3.807 2.681 235 2HB ALA 34 3HB ALA 34 13.697 4.267 1.035 236 3HB ALA 34 2HB ALA 34 14.606 4.865 2.449 237 MB ALA 34 QB ALA 34 13.837 4.313 2.055 238 H THR 35 H THR 35 14.151 1.119 3.777 239 HA THR 35 HA THR 35 16.463 1.646 5.612 240 HB THR 35 HB THR 35 13.560 1.358 6.513 241 HG1 THR 35 1HG THR 35 13.825 3.292 5.386 242 1HG2 THR 35 1HG2 THR 35 16.039 2.371 7.951 243 2HG2 THR 35 3HG2 THR 35 14.396 2.398 8.614 244 3HG2 THR 35 2HG2 THR 35 15.206 0.840 8.272 245 MG THR 35 QG2 THR 35 15.214 1.870 8.279 246 H GLY 36 H GLY 36 13.970 -0.747 4.729 247 1HA GLY 36 3HA GLY 36 14.016 -3.071 4.967 248 2HA GLY 36 2HA GLY 36 15.379 -2.966 6.088 249 QA GLY 36 QA GLY 36 15.379 -2.966 6.088 250 H GLY 37 H GLY 37 15.978 -1.000 3.532 251 1HA GLY 37 3HA GLY 37 16.469 -2.290 1.249 252 2HA GLY 37 2HA GLY 37 17.985 -2.614 2.154 253 QA GLY 37 QA GLY 37 17.985 -2.614 2.154 254 H ASN 38 H ASN 38 18.577 -0.344 3.404 255 HA ASN 38 HA ASN 38 18.152 2.104 2.011 256 1HD2 ASN 38 1HD2 ASN 38 18.201 4.034 3.644 257 2HD2 ASN 38 2HD2 ASN 38 19.451 5.264 3.473 258 QB ASN 38 QB ASN 38 20.492 1.297 3.796 259 QD ASN 38 QD2 ASN 38 18.826 4.649 3.558 260 H ALA 39 H ALA 39 20.276 -0.481 1.360 261 HA ALA 39 HA ALA 39 22.065 0.839 -0.563 262 1HB ALA 39 1HB ALA 39 22.685 -1.445 -1.197 263 2HB ALA 39 3HB ALA 39 21.373 -2.101 -0.184 264 3HB ALA 39 2HB ALA 39 22.706 -1.217 0.583 265 MB ALA 39 QB ALA 39 22.255 -1.587 -0.266 266 H GLY 40 H GLY 40 18.756 -0.050 -0.762 267 1HA GLY 40 3HA GLY 40 18.692 0.044 -3.757 268 2HA GLY 40 2HA GLY 40 17.664 1.042 -2.729 269 QA GLY 40 QA GLY 40 17.664 1.042 -2.729 270 H TRP 41 H TRP 41 18.227 -2.207 -1.650 271 HA TRP 41 HA TRP 41 15.436 -3.016 -2.095 272 HD1 TRP 41 HD TRP 41 14.751 -3.796 -5.268 273 HE1 TRP 41 1HE TRP 41 15.682 -2.802 -7.485 274 HE3 TRP 41 3HE TRP 41 19.705 -3.370 -4.011 275 HZ2 TRP 41 2HZ TRP 41 18.175 -1.959 -8.527 276 HZ3 TRP 41 3HZ TRP 41 21.332 -2.458 -5.616 277 HH2 TRP 41 HH TRP 41 20.625 -1.770 -7.877 278 QB TRP 41 QB TRP 41 15.931 -5.039 -3.241 279 H ASN 42 H ASN 42 15.037 -5.152 -1.001 280 HA ASN 42 HA ASN 42 15.680 -5.171 1.676 281 1HD2 ASN 42 1HD2 ASN 42 14.019 -6.595 3.225 282 2HD2 ASN 42 2HD2 ASN 42 14.493 -8.171 3.842 283 QB ASN 42 QB ASN 42 14.946 -7.497 -0.162 284 QD ASN 42 QD2 ASN 42 14.256 -7.383 3.533 285 H LYS 43 H LYS 43 17.327 -5.635 2.948 286 HA LYS 43 HA LYS 43 19.558 -7.409 2.092 287 1HZ LYS 43 2HZ LYS 43 21.341 -8.227 5.258 288 2HZ LYS 43 1HZ LYS 43 22.956 -8.429 5.297 289 3HZ LYS 43 3HZ LYS 43 22.229 -7.565 6.462 290 QB LYS 43 QB LYS 43 20.131 -4.852 3.606 291 QD LYS 43 QD LYS 43 23.328 -6.992 2.792 292 QG LYS 43 QG LYS 43 22.232 -4.852 2.414 293 QE LYS 43 QE LYS 43 21.519 -5.868 4.868 294 QZ LYS 43 QZ LYS 43 22.175 -8.074 5.672 No H/Q in entry = 294
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