NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1270 | 1afj | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HT1 ALA 1 -18.232 2.469 -0.468 2 2H ALA 1 HT3 ALA 1 -18.656 2.267 1.162 3 3H ALA 1 HT2 ALA 1 -17.437 3.370 0.734 4 HA ALA 1 HA ALA 1 -16.330 1.459 1.581 5 1HB ALA 1 HB3 ALA 1 -18.248 0.054 -0.296 6 2HB ALA 1 HB2 ALA 1 -16.955 -0.764 0.581 7 3HB ALA 1 HB1 ALA 1 -18.272 0.006 1.466 8 H THR 2 HN THR 2 -15.406 3.316 -0.144 9 HA THR 2 HA THR 2 -13.706 1.828 -1.965 10 HB THR 2 HB THR 2 -14.621 3.836 -3.580 11 HG1 THR 2 HG1 THR 2 -16.440 4.428 -2.716 12 1HG2 THR 2 HG21 THR 2 -14.670 0.997 -3.473 13 2HG2 THR 2 HG23 THR 2 -16.255 1.536 -4.028 14 3HG2 THR 2 HG22 THR 2 -14.802 2.028 -4.898 15 H GLN 3 HN GLN 3 -12.038 2.721 -0.622 16 HA GLN 3 HA GLN 3 -11.846 5.719 -0.683 17 1HB GLN 3 HB2 GLN 3 -10.443 3.957 1.311 18 2HB GLN 3 HB1 GLN 3 -10.983 5.624 1.494 19 1HG GLN 3 HG2 GLN 3 -13.350 4.306 0.991 20 2HG GLN 3 HG1 GLN 3 -12.458 3.119 1.944 21 1HE2 GLN 3 HE22 GLN 3 -14.069 6.282 3.807 22 2HE2 GLN 3 HE21 GLN 3 -14.436 5.864 2.203 23 H THR 4 HN THR 4 -9.668 6.607 -0.736 24 HA THR 4 HA THR 4 -7.577 4.815 -1.904 25 HB THR 4 HB THR 4 -8.573 7.494 -2.943 26 HG1 THR 4 HG1 THR 4 -9.933 5.981 -3.669 27 1HG2 THR 4 HG23 THR 4 -6.319 5.693 -3.865 28 2HG2 THR 4 HG22 THR 4 -6.960 7.036 -4.812 29 3HG2 THR 4 HG21 THR 4 -6.178 7.345 -3.262 30 H VAL 5 HN VAL 5 -5.749 5.105 -0.680 31 HA VAL 5 HA VAL 5 -5.218 7.823 0.487 32 HB VAL 5 HB VAL 5 -4.468 6.599 2.523 33 1HG1 VAL 5 HG13 VAL 5 -7.012 7.234 1.784 34 2HG1 VAL 5 HG12 VAL 5 -7.192 5.511 2.112 35 3HG1 VAL 5 HG11 VAL 5 -6.587 6.589 3.369 36 1HG2 VAL 5 HG23 VAL 5 -4.381 4.416 0.827 37 2HG2 VAL 5 HG22 VAL 5 -4.299 4.335 2.586 38 3HG2 VAL 5 HG21 VAL 5 -5.844 4.113 1.764 39 H THR 6 HN THR 6 -2.866 7.844 1.306 40 HA THR 6 HA THR 6 -1.116 6.631 -0.772 41 HB THR 6 HB THR 6 0.356 8.552 0.384 42 HG1 THR 6 HG1 THR 6 -2.270 9.526 0.704 43 1HG2 THR 6 HG21 THR 6 -1.911 8.959 -1.572 44 2HG2 THR 6 HG23 THR 6 -0.655 10.160 -1.269 45 3HG2 THR 6 HG22 THR 6 -0.230 8.592 -1.955 46 H LEU 7 HN LEU 7 1.070 5.911 0.149 47 HA LEU 7 HA LEU 7 0.808 5.160 3.030 48 1HB LEU 7 HB2 LEU 7 0.705 3.506 0.667 49 2HB LEU 7 HB1 LEU 7 2.090 3.046 1.657 50 HG LEU 7 HG LEU 7 0.683 2.779 3.599 51 1HD1 LEU 7 HD11 LEU 7 -1.312 4.135 1.850 52 2HD1 LEU 7 HD13 LEU 7 -1.896 2.988 3.054 53 3HD1 LEU 7 HD12 LEU 7 -0.956 4.389 3.553 54 1HD2 LEU 7 HD22 LEU 7 0.278 1.298 1.152 55 2HD2 LEU 7 HD21 LEU 7 0.255 0.703 2.812 56 3HD2 LEU 7 HD23 LEU 7 -1.222 1.332 2.080 57 H ALA 8 HN ALA 8 2.687 5.113 4.172 58 HA ALA 8 HA ALA 8 5.189 5.990 2.748 59 1HB ALA 8 HB2 ALA 8 3.773 6.767 5.227 60 2HB ALA 8 HB1 ALA 8 5.518 6.583 5.415 61 3HB ALA 8 HB3 ALA 8 4.873 7.713 4.224 62 H VAL 9 HN VAL 9 6.149 3.940 2.399 63 HA VAL 9 HA VAL 9 6.420 2.166 4.803 64 HB VAL 9 HB VAL 9 5.208 1.258 2.891 65 1HG1 VAL 9 HG11 VAL 9 7.438 2.528 1.442 66 2HG1 VAL 9 HG13 VAL 9 7.014 0.920 0.853 67 3HG1 VAL 9 HG12 VAL 9 5.792 2.191 0.905 68 1HG2 VAL 9 HG23 VAL 9 7.499 0.111 4.069 69 2HG2 VAL 9 HG22 VAL 9 6.180 -0.737 3.261 70 3HG2 VAL 9 HG21 VAL 9 7.610 -0.254 2.348 71 HA PRO 10 HA PRO 10 10.703 3.807 3.998 72 1HB PRO 10 HB2 PRO 10 11.168 3.827 6.793 73 2HB PRO 10 HB1 PRO 10 10.827 5.223 5.767 74 1HG PRO 10 HG2 PRO 10 9.106 3.954 7.738 75 2HG PRO 10 HG1 PRO 10 8.865 5.476 6.874 76 1HD PRO 10 HD2 PRO 10 7.499 2.995 6.435 77 2HD PRO 10 HD1 PRO 10 7.347 4.495 5.488 78 H GLY 11 HN GLY 11 9.281 0.999 5.223 79 1HA GLY 11 HA2 GLY 11 11.250 -0.430 6.563 80 2HA GLY 11 HA1 GLY 11 10.142 -1.182 5.415 81 H MET 12 HN MET 12 11.254 0.544 3.200 82 HA MET 12 HA MET 12 14.027 -0.502 2.957 83 1HB MET 12 HB2 MET 12 13.245 -1.452 0.670 84 2HB MET 12 HB1 MET 12 12.808 -2.352 2.120 85 1HG MET 12 HG2 MET 12 10.817 -2.213 0.803 86 2HG MET 12 HG1 MET 12 10.613 -1.049 2.110 87 1HE MET 12 HE2 MET 12 9.270 0.279 1.658 88 2HE MET 12 HE1 MET 12 9.731 1.832 0.966 89 3HE MET 12 HE3 MET 12 8.697 0.727 0.054 90 H THR 13 HN THR 13 14.412 0.037 0.247 91 HA THR 13 HA THR 13 13.295 2.521 -0.667 92 HB THR 13 HB THR 13 14.353 3.370 1.367 93 HG1 THR 13 HG1 THR 13 14.653 4.356 -0.908 94 1HG2 THR 13 HG21 THR 13 16.540 1.622 0.423 95 2HG2 THR 13 HG23 THR 13 17.056 3.177 1.077 96 3HG2 THR 13 HG22 THR 13 16.092 2.080 2.066 97 H CYS 14 HN CYS 14 13.672 0.611 -2.375 98 HA CYS 14 HA CYS 14 15.820 1.503 -4.119 99 1HB CYS 14 HB2 CYS 14 17.429 0.026 -3.516 100 2HB CYS 14 HB1 CYS 14 16.435 -0.386 -2.128 101 H ALA 15 HN ALA 15 15.890 -0.180 -6.088 102 HA ALA 15 HA ALA 15 13.125 -0.449 -7.002 103 1HB ALA 15 HB1 ALA 15 15.834 -1.197 -8.150 104 2HB ALA 15 HB3 ALA 15 14.321 -1.306 -9.050 105 3HB ALA 15 HB2 ALA 15 14.908 0.263 -8.498 106 H ALA 16 HN ALA 16 12.594 -2.054 -5.165 107 HA ALA 16 HA ALA 16 12.430 -4.717 -6.191 108 1HB ALA 16 HB3 ALA 16 14.934 -3.968 -5.120 109 2HB ALA 16 HB2 ALA 16 14.192 -5.027 -3.920 110 3HB ALA 16 HB1 ALA 16 14.416 -5.591 -5.576 111 H CYS 17 HN CYS 17 12.861 -3.042 -3.025 112 HA CYS 17 HA CYS 17 10.801 -4.783 -1.823 113 1HB CYS 17 HB2 CYS 17 12.282 -2.459 -0.580 114 2HB CYS 17 HB1 CYS 17 11.576 -3.854 0.234 115 HA PRO 18 HA PRO 18 8.641 -0.524 -1.308 116 1HB PRO 18 HB2 PRO 18 9.295 1.202 -3.447 117 2HB PRO 18 HB1 PRO 18 9.773 1.390 -1.763 118 1HG PRO 18 HG2 PRO 18 11.418 0.615 -4.037 119 2HG PRO 18 HG1 PRO 18 11.916 1.066 -2.405 120 1HD PRO 18 HD2 PRO 18 11.914 -1.550 -3.554 121 2HD PRO 18 HD1 PRO 18 12.270 -1.132 -1.861 122 H ILE 19 HN ILE 19 9.594 -1.478 -4.599 123 HA ILE 19 HA ILE 19 7.030 -1.191 -5.855 124 HB ILE 19 HB ILE 19 9.443 -2.978 -6.281 125 1HG1 ILE 19 HG12 ILE 19 8.698 -1.042 -8.342 126 2HG1 ILE 19 HG11 ILE 19 8.977 -0.279 -6.776 127 1HG2 ILE 19 HG22 ILE 19 7.319 -4.028 -7.153 128 2HG2 ILE 19 HG21 ILE 19 7.113 -2.612 -8.184 129 3HG2 ILE 19 HG23 ILE 19 8.512 -3.664 -8.400 130 1HD1 ILE 19 HD13 ILE 19 10.896 -2.256 -8.035 131 2HD1 ILE 19 HD12 ILE 19 11.051 -0.508 -8.203 132 3HD1 ILE 19 HD11 ILE 19 11.178 -1.255 -6.611 133 H THR 20 HN THR 20 8.395 -3.631 -3.711 134 HA THR 20 HA THR 20 6.518 -5.753 -4.233 135 HB THR 20 HB THR 20 8.019 -5.066 -1.672 136 HG1 THR 20 HG1 THR 20 8.989 -6.836 -3.597 137 1HG2 THR 20 HG21 THR 20 7.045 -7.684 -2.853 138 2HG2 THR 20 HG23 THR 20 7.991 -7.523 -1.374 139 3HG2 THR 20 HG22 THR 20 6.358 -6.861 -1.453 140 H VAL 21 HN VAL 21 6.496 -2.833 -2.336 141 HA VAL 21 HA VAL 21 4.285 -3.420 -0.630 142 HB VAL 21 HB VAL 21 5.327 -0.821 -1.813 143 1HG1 VAL 21 HG11 VAL 21 3.088 -1.428 -0.041 144 2HG1 VAL 21 HG13 VAL 21 4.236 -0.307 0.692 145 3HG1 VAL 21 HG12 VAL 21 3.491 0.081 -0.859 146 1HG2 VAL 21 HG22 VAL 21 6.106 -2.531 0.514 147 2HG2 VAL 21 HG21 VAL 21 7.126 -1.590 -0.573 148 3HG2 VAL 21 HG23 VAL 21 6.213 -0.781 0.701 149 H LYS 22 HN LYS 22 4.663 -2.311 -3.937 150 HA LYS 22 HA LYS 22 1.954 -1.513 -4.416 151 1HB LYS 22 HB2 LYS 22 4.109 -1.111 -5.788 152 2HB LYS 22 HB1 LYS 22 3.885 -2.749 -6.398 153 1HG LYS 22 HG2 LYS 22 1.664 -2.155 -7.251 154 2HG LYS 22 HG1 LYS 22 1.831 -0.526 -6.597 155 1HD LYS 22 HD2 LYS 22 3.275 0.138 -8.244 156 2HD LYS 22 HD1 LYS 22 4.028 -1.453 -8.367 157 1HE LYS 22 HE2 LYS 22 1.226 -1.527 -9.193 158 2HE LYS 22 HE1 LYS 22 2.183 -0.399 -10.173 159 1HZ LYS 22 HZ1 LYS 22 3.873 -2.120 -10.425 160 2HZ LYS 22 HZ3 LYS 22 2.927 -3.204 -9.527 161 3HZ LYS 22 HZ2 LYS 22 2.379 -2.649 -11.036 162 H LYS 23 HN LYS 23 3.769 -4.525 -4.660 163 HA LYS 23 HA LYS 23 1.620 -6.093 -5.746 164 1HB LYS 23 HB2 LYS 23 3.769 -6.984 -6.031 165 2HB LYS 23 HB1 LYS 23 4.255 -6.566 -4.389 166 1HG LYS 23 HG2 LYS 23 2.008 -8.472 -4.536 167 2HG LYS 23 HG1 LYS 23 3.525 -9.085 -5.196 168 1HD LYS 23 HD2 LYS 23 4.689 -8.463 -3.111 169 2HD LYS 23 HD1 LYS 23 3.173 -7.856 -2.446 170 1HE LYS 23 HE2 LYS 23 2.458 -10.397 -3.254 171 2HE LYS 23 HE1 LYS 23 4.120 -10.632 -2.675 172 1HZ LYS 23 HZ1 LYS 23 3.512 -9.296 -0.698 173 2HZ LYS 23 HZ3 LYS 23 1.900 -9.293 -1.226 174 3HZ LYS 23 HZ2 LYS 23 2.652 -10.757 -0.804 175 H ALA 24 HN ALA 24 2.480 -5.013 -2.589 176 HA ALA 24 HA ALA 24 1.002 -6.914 -1.033 177 1HB ALA 24 HB1 ALA 24 2.840 -4.918 -0.618 178 2HB ALA 24 HB3 ALA 24 1.367 -4.192 0.025 179 3HB ALA 24 HB2 ALA 24 1.944 -5.729 0.667 180 H LEU 25 HN LEU 25 0.286 -3.486 -1.838 181 HA LEU 25 HA LEU 25 -2.383 -3.487 -0.812 182 1HB LEU 25 HB2 LEU 25 -1.397 -1.896 -3.188 183 2HB LEU 25 HB1 LEU 25 -2.557 -1.401 -1.958 184 HG LEU 25 HG LEU 25 -0.130 -2.113 -0.634 185 1HD1 LEU 25 HD11 LEU 25 0.666 -1.585 -3.078 186 2HD1 LEU 25 HD13 LEU 25 0.349 0.089 -2.623 187 3HD1 LEU 25 HD12 LEU 25 1.524 -0.864 -1.716 188 1HD2 LEU 25 HD23 LEU 25 -1.947 0.201 -0.968 189 2HD2 LEU 25 HD22 LEU 25 -1.260 -0.485 0.504 190 3HD2 LEU 25 HD21 LEU 25 -0.299 0.609 -0.491 191 H SER 26 HN SER 26 -1.027 -4.513 -3.891 192 HA SER 26 HA SER 26 -3.560 -4.738 -5.291 193 1HB SER 26 HB2 SER 26 -1.166 -4.539 -6.214 194 2HB SER 26 HB1 SER 26 -0.980 -6.242 -5.808 195 HG SER 26 HG SER 26 -2.695 -5.008 -7.674 196 H LYS 27 HN LYS 27 -1.711 -6.705 -3.082 197 HA LYS 27 HA LYS 27 -3.539 -9.003 -3.552 198 1HB LYS 27 HB2 LYS 27 -1.394 -9.834 -3.748 199 2HB LYS 27 HB1 LYS 27 -0.711 -8.573 -2.728 200 1HG LYS 27 HG2 LYS 27 -2.475 -10.700 -1.539 201 2HG LYS 27 HG1 LYS 27 -0.765 -11.008 -1.825 202 1HD LYS 27 HD2 LYS 27 -0.905 -8.454 -0.623 203 2HD LYS 27 HD1 LYS 27 -1.979 -9.498 0.310 204 1HE LYS 27 HE2 LYS 27 0.733 -10.540 -0.462 205 2HE LYS 27 HE1 LYS 27 0.588 -9.429 0.916 206 1HZ LYS 27 HZ3 LYS 27 -1.068 -11.866 0.525 207 2HZ LYS 27 HZ2 LYS 27 0.275 -11.773 1.561 208 3HZ LYS 27 HZ1 LYS 27 -1.104 -10.827 1.866 209 H VAL 28 HN VAL 28 -3.484 -6.339 -1.679 210 HA VAL 28 HA VAL 28 -3.647 -7.263 1.010 211 HB VAL 28 HB VAL 28 -3.394 -4.911 0.209 212 1HG1 VAL 28 HG11 VAL 28 -5.242 -5.232 -1.553 213 2HG1 VAL 28 HG13 VAL 28 -6.378 -4.943 -0.235 214 3HG1 VAL 28 HG12 VAL 28 -5.216 -3.696 -0.689 215 1HG2 VAL 28 HG23 VAL 28 -5.754 -5.460 2.035 216 2HG2 VAL 28 HG22 VAL 28 -4.063 -5.343 2.525 217 3HG2 VAL 28 HG21 VAL 28 -4.906 -3.917 1.919 218 H GLU 29 HN GLU 29 -6.322 -6.711 -1.352 219 HA GLU 29 HA GLU 29 -7.885 -8.929 -0.698 220 1HB GLU 29 HB2 GLU 29 -7.775 -6.877 1.379 221 2HB GLU 29 HB1 GLU 29 -9.430 -7.228 0.878 222 1HG GLU 29 HG2 GLU 29 -8.173 -9.728 1.024 223 2HG GLU 29 HG1 GLU 29 -7.613 -8.850 2.448 224 H GLY 30 HN GLY 30 -9.306 -5.737 -0.242 225 1HA GLY 30 HA2 GLY 30 -10.912 -6.146 -2.685 226 2HA GLY 30 HA1 GLY 30 -11.206 -4.932 -1.446 227 H VAL 31 HN VAL 31 -7.951 -4.851 -2.213 228 HA VAL 31 HA VAL 31 -7.771 -2.269 -3.191 229 HB VAL 31 HB VAL 31 -5.938 -3.941 -2.693 230 1HG1 VAL 31 HG12 VAL 31 -7.095 -5.573 -4.419 231 2HG1 VAL 31 HG11 VAL 31 -6.078 -4.723 -5.583 232 3HG1 VAL 31 HG13 VAL 31 -5.341 -5.581 -4.230 233 1HG2 VAL 31 HG22 VAL 31 -6.031 -1.850 -4.705 234 2HG2 VAL 31 HG21 VAL 31 -4.746 -2.229 -3.557 235 3HG2 VAL 31 HG23 VAL 31 -4.812 -3.057 -5.112 236 H SER 32 HN SER 32 -8.487 -1.233 -4.949 237 HA SER 32 HA SER 32 -9.489 -2.848 -7.255 238 1HB SER 32 HB2 SER 32 -10.658 -0.878 -5.650 239 2HB SER 32 HB1 SER 32 -10.241 -0.028 -7.135 240 HG SER 32 HG SER 32 -11.217 -2.116 -8.085 241 H LYS 33 HN LYS 33 -7.140 -0.604 -6.195 242 HA LYS 33 HA LYS 33 -5.891 -0.564 -8.854 243 1HB LYS 33 HB2 LYS 33 -7.327 1.182 -9.378 244 2HB LYS 33 HB1 LYS 33 -7.463 1.709 -7.706 245 1HG LYS 33 HG2 LYS 33 -5.657 3.087 -7.865 246 2HG LYS 33 HG1 LYS 33 -4.754 1.946 -8.858 247 1HD LYS 33 HD2 LYS 33 -7.011 2.865 -10.362 248 2HD LYS 33 HD1 LYS 33 -6.154 4.267 -9.719 249 1HE LYS 33 HE2 LYS 33 -5.149 3.692 -11.864 250 2HE LYS 33 HE1 LYS 33 -4.002 3.227 -10.592 251 1HZ LYS 33 HZ1 LYS 33 -5.972 1.206 -11.113 252 2HZ LYS 33 HZ3 LYS 33 -5.029 1.549 -12.480 253 3HZ LYS 33 HZ2 LYS 33 -4.280 1.071 -11.033 254 H VAL 34 HN VAL 34 -3.709 0.334 -8.731 255 HA VAL 34 HA VAL 34 -2.715 1.114 -6.044 256 HB VAL 34 HB VAL 34 -1.715 -1.280 -7.618 257 1HG1 VAL 34 HG11 VAL 34 -0.489 0.326 -5.614 258 2HG1 VAL 34 HG13 VAL 34 -0.916 -1.212 -4.864 259 3HG1 VAL 34 HG12 VAL 34 0.104 -1.186 -6.302 260 1HG2 VAL 34 HG23 VAL 34 -3.468 -1.022 -5.164 261 2HG2 VAL 34 HG22 VAL 34 -3.832 -1.865 -6.669 262 3HG2 VAL 34 HG21 VAL 34 -2.616 -2.512 -5.569 263 H ASP 35 HN ASP 35 -0.804 2.321 -6.152 264 HA ASP 35 HA ASP 35 0.821 2.445 -8.589 265 1HB ASP 35 HB2 ASP 35 -1.470 4.162 -8.174 266 2HB ASP 35 HB1 ASP 35 0.003 5.134 -8.171 267 H VAL 36 HN VAL 36 2.539 2.000 -7.084 268 HA VAL 36 HA VAL 36 2.965 4.057 -4.957 269 HB VAL 36 HB VAL 36 4.119 2.344 -3.792 270 1HG1 VAL 36 HG11 VAL 36 1.656 1.947 -4.036 271 2HG1 VAL 36 HG13 VAL 36 2.004 0.881 -5.396 272 3HG1 VAL 36 HG12 VAL 36 2.578 0.465 -3.782 273 1HG2 VAL 36 HG21 VAL 36 5.562 1.682 -5.716 274 2HG2 VAL 36 HG23 VAL 36 4.920 0.286 -4.849 275 3HG2 VAL 36 HG22 VAL 36 4.209 0.773 -6.388 276 H GLY 37 HN GLY 37 5.640 3.669 -4.526 277 1HA GLY 37 HA2 GLY 37 7.032 4.234 -7.085 278 2HA GLY 37 HA1 GLY 37 7.140 5.427 -5.784 279 H PHE 38 HN PHE 38 8.708 2.860 -7.108 280 HA PHE 38 HA PHE 38 9.569 1.133 -5.144 281 1HB PHE 38 HB2 PHE 38 11.657 1.044 -6.538 282 2HB PHE 38 HB1 PHE 38 10.165 0.961 -7.465 283 HD1 PHE 38 HD1 PHE 38 10.469 4.278 -6.272 284 HD2 PHE 38 HD2 PHE 38 12.059 1.598 -9.233 285 HE1 PHE 38 HE1 PHE 38 11.198 6.210 -7.628 286 HE2 PHE 38 HE2 PHE 38 12.787 3.539 -10.590 287 HZ PHE 38 HZ PHE 38 12.357 5.844 -9.787 288 H GLU 39 HN GLU 39 12.474 2.610 -5.735 289 HA GLU 39 HA GLU 39 13.467 2.994 -3.250 290 1HB GLU 39 HB2 GLU 39 14.657 3.441 -5.346 291 2HB GLU 39 HB1 GLU 39 13.703 4.904 -5.595 292 1HG GLU 39 HG2 GLU 39 14.988 6.106 -4.177 293 2HG GLU 39 HG1 GLU 39 14.979 4.828 -2.961 294 H LYS 40 HN LYS 40 11.017 5.095 -4.701 295 HA LYS 40 HA LYS 40 11.250 7.148 -2.613 296 1HB LYS 40 HB2 LYS 40 10.152 6.840 -5.210 297 2HB LYS 40 HB1 LYS 40 8.801 7.209 -4.138 298 1HG LYS 40 HG2 LYS 40 9.761 9.249 -3.435 299 2HG LYS 40 HG1 LYS 40 11.363 8.795 -4.017 300 1HD LYS 40 HD2 LYS 40 10.865 9.965 -5.886 301 2HD LYS 40 HD1 LYS 40 9.780 8.636 -6.295 302 1HE LYS 40 HE2 LYS 40 8.449 10.329 -4.394 303 2HE LYS 40 HE1 LYS 40 9.060 11.330 -5.726 304 1HZ LYS 40 HZ3 LYS 40 7.704 8.738 -6.187 305 2HZ LYS 40 HZ2 LYS 40 6.844 10.202 -6.113 306 3HZ LYS 40 HZ1 LYS 40 8.024 9.966 -7.313 307 H ARG 41 HN ARG 41 10.616 4.332 -1.792 308 HA ARG 41 HA ARG 41 8.661 3.112 -0.885 309 1HB ARG 41 HB2 ARG 41 9.070 3.519 1.434 310 2HB ARG 41 HB1 ARG 41 10.590 3.798 0.586 311 1HG ARG 41 HG2 ARG 41 10.655 5.861 1.490 312 2HG ARG 41 HG1 ARG 41 9.212 6.267 0.561 313 1HD ARG 41 HD2 ARG 41 7.849 6.120 2.401 314 2HD ARG 41 HD1 ARG 41 8.687 4.683 3.013 315 HE ARG 41 HE ARG 41 10.547 6.742 3.268 316 1HH1 ARG 41 HH21 ARG 41 7.306 6.127 4.293 317 2HH1 ARG 41 HH22 ARG 41 7.454 7.053 5.748 318 1HH2 ARG 41 HH11 ARG 41 10.750 7.953 5.163 319 2HH2 ARG 41 HH12 ARG 41 9.400 8.085 6.240 320 H GLU 42 HN GLU 42 6.958 4.389 -2.302 321 HA GLU 42 HA GLU 42 5.115 5.671 -0.327 322 1HB GLU 42 HB2 GLU 42 6.524 7.402 -1.496 323 2HB GLU 42 HB1 GLU 42 5.821 6.874 -3.025 324 1HG GLU 42 HG2 GLU 42 3.733 7.743 -2.525 325 2HG GLU 42 HG1 GLU 42 3.966 7.580 -0.784 326 H ALA 43 HN ALA 43 3.314 4.335 -0.498 327 HA ALA 43 HA ALA 43 2.579 3.391 -3.242 328 1HB ALA 43 HB2 ALA 43 3.156 1.914 -1.132 329 2HB ALA 43 HB1 ALA 43 1.488 2.271 -0.685 330 3HB ALA 43 HB3 ALA 43 1.836 1.442 -2.202 331 H VAL 44 HN VAL 44 0.849 4.412 -4.146 332 HA VAL 44 HA VAL 44 -1.226 5.566 -2.320 333 HB VAL 44 HB VAL 44 0.247 6.823 -4.237 334 1HG1 VAL 44 HG11 VAL 44 -0.781 5.331 -6.011 335 2HG1 VAL 44 HG13 VAL 44 -2.329 6.097 -5.661 336 3HG1 VAL 44 HG12 VAL 44 -0.990 7.057 -6.291 337 1HG2 VAL 44 HG21 VAL 44 -1.926 7.412 -2.629 338 2HG2 VAL 44 HG23 VAL 44 -1.059 8.570 -3.639 339 3HG2 VAL 44 HG22 VAL 44 -2.521 7.791 -4.246 340 H VAL 45 HN VAL 45 -2.948 4.165 -2.169 341 HA VAL 45 HA VAL 45 -3.625 2.636 -4.669 342 HB VAL 45 HB VAL 45 -3.201 1.766 -1.823 343 1HG1 VAL 45 HG13 VAL 45 -5.075 0.616 -3.845 344 2HG1 VAL 45 HG12 VAL 45 -4.091 -0.512 -2.912 345 3HG1 VAL 45 HG11 VAL 45 -5.177 0.603 -2.084 346 1HG2 VAL 45 HG22 VAL 45 -1.685 1.669 -4.145 347 2HG2 VAL 45 HG21 VAL 45 -1.426 0.677 -2.709 348 3HG2 VAL 45 HG23 VAL 45 -2.383 0.051 -4.052 349 H THR 46 HN THR 46 -5.743 1.997 -4.926 350 HA THR 46 HA THR 46 -7.817 3.455 -3.325 351 HB THR 46 HB THR 46 -7.419 2.749 -6.233 352 HG1 THR 46 HG1 THR 46 -7.345 4.835 -6.367 353 1HG2 THR 46 HG22 THR 46 -9.989 2.853 -4.731 354 2HG2 THR 46 HG21 THR 46 -9.949 3.685 -6.286 355 3HG2 THR 46 HG23 THR 46 -9.578 1.963 -6.196 356 H PHE 47 HN PHE 47 -9.825 2.131 -3.011 357 HA PHE 47 HA PHE 47 -9.847 -0.652 -3.811 358 1HB PHE 47 HB2 PHE 47 -9.342 -1.600 -1.611 359 2HB PHE 47 HB1 PHE 47 -8.001 -0.577 -2.133 360 HD1 PHE 47 HD2 PHE 47 -10.869 -0.870 0.181 361 HD2 PHE 47 HD1 PHE 47 -7.582 1.596 -1.101 362 HE1 PHE 47 HE2 PHE 47 -11.132 0.539 2.198 363 HE2 PHE 47 HE1 PHE 47 -7.853 2.999 0.925 364 HZ PHE 47 HZ PHE 47 -9.624 2.470 2.571 365 H ASP 48 HN ASP 48 -11.439 -1.854 -2.221 366 HA ASP 48 HA ASP 48 -13.791 -0.054 -1.852 367 1HB ASP 48 HB2 ASP 48 -13.649 -3.080 -2.075 368 2HB ASP 48 HB1 ASP 48 -15.093 -2.077 -2.214 369 H ASP 49 HN ASP 49 -13.841 0.558 0.287 370 HA ASP 49 HA ASP 49 -12.512 -0.746 2.411 371 1HB ASP 49 HB2 ASP 49 -13.092 1.373 3.019 372 2HB ASP 49 HB1 ASP 49 -14.525 1.372 1.997 373 H THR 50 HN THR 50 -15.357 -1.725 0.770 374 HA THR 50 HA THR 50 -16.853 -2.986 2.837 375 HB THR 50 HB THR 50 -17.469 -2.565 0.419 376 HG1 THR 50 HG1 THR 50 -18.938 -3.960 0.899 377 1HG2 THR 50 HG22 THR 50 -15.340 -3.417 -0.533 378 2HG2 THR 50 HG21 THR 50 -15.792 -5.047 -0.032 379 3HG2 THR 50 HG23 THR 50 -16.749 -4.201 -1.248 380 H LYS 51 HN LYS 51 -13.958 -4.023 1.078 381 HA LYS 51 HA LYS 51 -13.852 -6.446 2.843 382 1HB LYS 51 HB2 LYS 51 -13.647 -6.055 -0.086 383 2HB LYS 51 HB1 LYS 51 -12.461 -7.160 0.610 384 1HG LYS 51 HG2 LYS 51 -14.903 -7.808 1.851 385 2HG LYS 51 HG1 LYS 51 -15.289 -7.585 0.145 386 1HD LYS 51 HD2 LYS 51 -12.907 -9.224 1.004 387 2HD LYS 51 HD1 LYS 51 -14.517 -9.937 0.894 388 1HE LYS 51 HE2 LYS 51 -14.118 -8.427 -1.491 389 2HE LYS 51 HE1 LYS 51 -12.672 -9.427 -1.243 390 1HZ LYS 51 HZ2 LYS 51 -14.500 -11.164 -0.528 391 2HZ LYS 51 HZ1 LYS 51 -15.458 -10.249 -1.592 392 3HZ LYS 51 HZ3 LYS 51 -14.037 -10.986 -2.154 393 H ALA 52 HN ALA 52 -12.392 -3.547 2.040 394 HA ALA 52 HA ALA 52 -9.818 -4.421 3.274 395 1HB ALA 52 HB3 ALA 52 -10.241 -3.940 0.531 396 2HB ALA 52 HB2 ALA 52 -9.419 -2.501 1.136 397 3HB ALA 52 HB1 ALA 52 -8.684 -4.090 1.347 398 H SER 53 HN SER 53 -8.463 -2.041 3.194 399 HA SER 53 HA SER 53 -10.001 0.320 3.723 400 1HB SER 53 HB2 SER 53 -10.900 -0.922 5.580 401 2HB SER 53 HB1 SER 53 -9.301 -1.493 6.048 402 HG SER 53 HG SER 53 -10.262 0.388 7.216 403 H VAL 54 HN VAL 54 -8.591 2.079 4.412 404 HA VAL 54 HA VAL 54 -6.000 2.176 3.497 405 HB VAL 54 HB VAL 54 -5.801 4.090 4.994 406 1HG1 VAL 54 HG12 VAL 54 -7.592 3.943 3.087 407 2HG1 VAL 54 HG11 VAL 54 -8.741 3.948 4.425 408 3HG1 VAL 54 HG13 VAL 54 -7.634 5.303 4.209 409 1HG2 VAL 54 HG23 VAL 54 -8.016 2.682 6.483 410 2HG2 VAL 54 HG22 VAL 54 -6.446 3.190 7.104 411 3HG2 VAL 54 HG21 VAL 54 -7.675 4.396 6.718 412 H GLN 55 HN GLN 55 -7.124 0.932 6.622 413 HA GLN 55 HA GLN 55 -4.530 0.555 7.810 414 1HB GLN 55 HB2 GLN 55 -7.093 0.410 8.637 415 2HB GLN 55 HB1 GLN 55 -6.792 -1.309 8.379 416 1HG GLN 55 HG2 GLN 55 -4.793 -1.178 9.820 417 2HG GLN 55 HG1 GLN 55 -5.096 0.540 10.082 418 1HE2 GLN 55 HE22 GLN 55 -7.272 -0.124 12.751 419 2HE2 GLN 55 HE21 GLN 55 -6.150 0.921 12.023 420 H LYS 56 HN LYS 56 -6.693 -1.615 5.972 421 HA LYS 56 HA LYS 56 -4.993 -3.910 6.001 422 1HB LYS 56 HB2 LYS 56 -6.943 -3.043 3.846 423 2HB LYS 56 HB1 LYS 56 -6.506 -4.694 4.290 424 1HG LYS 56 HG2 LYS 56 -7.408 -3.338 6.647 425 2HG LYS 56 HG1 LYS 56 -8.600 -3.089 5.371 426 1HD LYS 56 HD2 LYS 56 -9.144 -5.312 5.254 427 2HD LYS 56 HD1 LYS 56 -7.503 -5.839 5.626 428 1HE LYS 56 HE2 LYS 56 -8.786 -6.425 7.558 429 2HE LYS 56 HE1 LYS 56 -7.959 -4.922 8.013 430 1HZ LYS 56 HZ2 LYS 56 -9.892 -3.673 7.266 431 2HZ LYS 56 HZ1 LYS 56 -10.694 -5.116 6.862 432 3HZ LYS 56 HZ3 LYS 56 -10.331 -4.775 8.483 433 H LEU 57 HN LEU 57 -4.919 -0.962 4.058 434 HA LEU 57 HA LEU 57 -3.280 -2.016 1.911 435 1HB LEU 57 HB2 LEU 57 -3.492 0.806 3.016 436 2HB LEU 57 HB1 LEU 57 -2.991 0.353 1.389 437 HG LEU 57 HG LEU 57 -5.740 -0.176 2.571 438 1HD1 LEU 57 HD11 LEU 57 -4.703 2.236 1.731 439 2HD1 LEU 57 HD13 LEU 57 -5.452 1.619 0.259 440 3HD1 LEU 57 HD12 LEU 57 -6.415 1.815 1.723 441 1HD2 LEU 57 HD22 LEU 57 -4.498 -1.541 0.542 442 2HD2 LEU 57 HD21 LEU 57 -6.243 -1.315 0.660 443 3HD2 LEU 57 HD23 LEU 57 -5.282 -0.236 -0.350 444 H THR 58 HN THR 58 -2.507 0.038 4.729 445 HA THR 58 HA THR 58 0.338 -0.117 4.495 446 HB THR 58 HB THR 58 -1.115 0.123 7.115 447 HG1 THR 58 HG1 THR 58 -1.116 2.068 5.053 448 1HG2 THR 58 HG22 THR 58 1.427 0.462 6.663 449 2HG2 THR 58 HG21 THR 58 0.931 1.994 5.943 450 3HG2 THR 58 HG23 THR 58 0.579 1.661 7.639 451 H LYS 59 HN LYS 59 -2.079 -2.306 5.712 452 HA LYS 59 HA LYS 59 -0.230 -3.911 7.313 453 1HB LYS 59 HB2 LYS 59 -2.796 -3.509 7.540 454 2HB LYS 59 HB1 LYS 59 -2.944 -4.722 6.268 455 1HG LYS 59 HG2 LYS 59 -2.674 -6.350 7.788 456 2HG LYS 59 HG1 LYS 59 -1.083 -5.703 8.191 457 1HD LYS 59 HD2 LYS 59 -3.676 -4.647 9.350 458 2HD LYS 59 HD1 LYS 59 -2.649 -5.832 10.157 459 1HE LYS 59 HE2 LYS 59 -0.856 -3.824 9.439 460 2HE LYS 59 HE1 LYS 59 -2.302 -2.934 9.956 461 1HZ LYS 59 HZ2 LYS 59 -1.076 -5.190 11.453 462 2HZ LYS 59 HZ1 LYS 59 -0.858 -3.550 11.838 463 3HZ LYS 59 HZ3 LYS 59 -2.399 -4.248 11.951 464 H ALA 60 HN ALA 60 -1.445 -3.826 4.011 465 HA ALA 60 HA ALA 60 -0.682 -6.534 3.307 466 1HB ALA 60 HB1 ALA 60 -2.207 -4.627 2.187 467 2HB ALA 60 HB3 ALA 60 -0.709 -4.300 1.316 468 3HB ALA 60 HB2 ALA 60 -1.458 -5.894 1.215 469 H THR 61 HN THR 61 0.912 -3.348 3.028 470 HA THR 61 HA THR 61 3.349 -4.487 1.858 471 HB THR 61 HB THR 61 2.506 -2.146 1.572 472 HG1 THR 61 HG1 THR 61 4.926 -2.959 1.883 473 1HG2 THR 61 HG21 THR 61 1.690 -1.852 3.891 474 2HG2 THR 61 HG23 THR 61 3.359 -1.845 4.460 475 3HG2 THR 61 HG22 THR 61 2.780 -0.552 3.410 476 H ALA 62 HN ALA 62 2.158 -3.517 5.040 477 HA ALA 62 HA ALA 62 4.569 -3.933 6.516 478 1HB ALA 62 HB3 ALA 62 1.614 -4.158 7.178 479 2HB ALA 62 HB2 ALA 62 2.879 -4.256 8.403 480 3HB ALA 62 HB1 ALA 62 2.665 -2.773 7.473 481 H ASP 63 HN ASP 63 2.203 -6.024 5.059 482 HA ASP 63 HA ASP 63 3.073 -8.422 6.532 483 1HB ASP 63 HB2 ASP 63 0.733 -8.140 5.894 484 2HB ASP 63 HB1 ASP 63 1.189 -7.902 4.206 485 H ALA 64 HN ALA 64 3.801 -6.723 3.561 486 HA ALA 64 HA ALA 64 5.064 -8.980 2.213 487 1HB ALA 64 HB2 ALA 64 4.594 -6.092 1.841 488 2HB ALA 64 HB1 ALA 64 6.120 -6.658 1.160 489 3HB ALA 64 HB3 ALA 64 4.599 -7.387 0.644 490 H GLY 65 HN GLY 65 5.882 -6.814 4.747 491 1HA GLY 65 HA2 GLY 65 7.868 -7.448 6.114 492 2HA GLY 65 HA1 GLY 65 8.719 -7.719 4.594 493 H TYR 66 HN TYR 66 6.532 -5.033 4.961 494 HA TYR 66 HA TYR 66 8.850 -3.172 5.289 495 1HB TYR 66 HB2 TYR 66 6.635 -2.875 3.237 496 2HB TYR 66 HB1 TYR 66 8.120 -1.932 3.356 497 HD1 TYR 66 HD1 TYR 66 10.259 -3.713 3.682 498 HD2 TYR 66 HD2 TYR 66 6.681 -4.316 1.373 499 HE1 TYR 66 HE1 TYR 66 11.453 -5.355 2.254 500 HE2 TYR 66 HE2 TYR 66 7.876 -5.955 -0.044 501 HH TYR 66 HH TYR 66 11.175 -6.238 -0.153 502 HA PRO 67 HA PRO 67 5.353 -2.280 8.227 503 1HB PRO 67 HB2 PRO 67 7.446 -0.886 9.685 504 2HB PRO 67 HB1 PRO 67 6.506 -2.296 10.183 505 1HG PRO 67 HG2 PRO 67 9.244 -2.236 9.373 506 2HG PRO 67 HG1 PRO 67 8.276 -3.653 9.791 507 1HD PRO 67 HD2 PRO 67 9.246 -2.902 7.190 508 2HD PRO 67 HD1 PRO 67 8.209 -4.291 7.602 509 H SER 68 HN SER 68 4.374 -0.771 6.811 510 HA SER 68 HA SER 68 5.699 1.902 6.533 511 1HB SER 68 HB2 SER 68 4.535 2.055 4.501 512 2HB SER 68 HB1 SER 68 4.900 0.335 4.601 513 HG SER 68 HG SER 68 2.822 -0.022 5.363 514 H SER 69 HN SER 69 3.444 3.362 5.863 515 HA SER 69 HA SER 69 1.549 3.185 8.142 516 1HB SER 69 HB2 SER 69 3.745 4.648 8.483 517 2HB SER 69 HB1 SER 69 2.864 5.809 7.494 518 HG SER 69 HG SER 69 1.970 6.294 9.342 519 H VAL 70 HN VAL 70 0.129 5.470 7.698 520 HA VAL 70 HA VAL 70 -0.394 5.528 4.768 521 HB VAL 70 HB VAL 70 -1.698 3.872 6.252 522 1HG1 VAL 70 HG11 VAL 70 -2.126 5.920 7.887 523 2HG1 VAL 70 HG13 VAL 70 -3.498 6.204 6.816 524 3HG1 VAL 70 HG12 VAL 70 -3.354 4.671 7.675 525 1HG2 VAL 70 HG22 VAL 70 -2.457 5.510 4.007 526 2HG2 VAL 70 HG21 VAL 70 -2.950 3.856 4.374 527 3HG2 VAL 70 HG23 VAL 70 -3.880 5.214 5.008 528 H LYS 71 HN LYS 71 -1.469 7.432 4.025 529 HA LYS 71 HA LYS 71 -2.077 9.577 5.980 530 1HB LYS 71 HB2 LYS 71 -0.330 11.046 5.180 531 2HB LYS 71 HB1 LYS 71 0.423 9.508 5.612 532 1HG LYS 71 HG2 LYS 71 -0.298 9.076 2.995 533 2HG LYS 71 HG1 LYS 71 0.147 10.783 2.976 534 1HD LYS 71 HD2 LYS 71 2.050 9.307 4.562 535 2HD LYS 71 HD1 LYS 71 1.896 8.557 2.972 536 1HE LYS 71 HE2 LYS 71 2.623 10.481 1.848 537 2HE LYS 71 HE1 LYS 71 2.170 11.552 3.189 538 1HZ LYS 71 HZ2 LYS 71 3.847 10.104 4.501 539 2HZ LYS 71 HZ1 LYS 71 4.477 9.733 2.968 540 3HZ LYS 71 HZ3 LYS 71 4.434 11.343 3.498 541 H GLN 72 HN GLN 72 -4.000 8.661 4.468 542 HA GLN 72 HA GLN 72 -4.479 9.206 1.829 543 1HB GLN 72 HB2 GLN 72 -6.799 9.659 2.532 544 2HB GLN 72 HB1 GLN 72 -6.104 8.370 3.514 545 1HG GLN 72 HG2 GLN 72 -5.389 10.410 5.063 546 2HG GLN 72 HG1 GLN 72 -6.764 11.185 4.274 547 1HE2 GLN 72 HE22 GLN 72 -7.416 8.067 6.853 548 2HE2 GLN 72 HE21 GLN 72 -5.847 8.378 6.287 No H/Q in entry = 548 Start of MODEL 2 1 1H ALA 1 HT1 ALA 1 18.159 2.868 0.919 2 2H ALA 1 HT3 ALA 1 18.857 2.656 -0.612 3 3H ALA 1 HT2 ALA 1 17.609 3.789 -0.398 4 HA ALA 1 HA ALA 1 16.418 2.064 -1.311 5 1HB ALA 1 HB1 ALA 1 18.824 0.784 -0.716 6 2HB ALA 1 HB3 ALA 1 17.620 -0.145 0.176 7 3HB ALA 1 HB2 ALA 1 17.456 0.065 -1.567 8 H THR 2 HN THR 2 15.598 3.550 0.823 9 HA THR 2 HA THR 2 13.888 1.730 2.302 10 HB THR 2 HB THR 2 14.893 3.255 4.321 11 HG1 THR 2 HG1 THR 2 16.569 4.057 3.107 12 1HG2 THR 2 HG21 THR 2 14.773 0.558 3.618 13 2HG2 THR 2 HG23 THR 2 16.470 0.843 4.005 14 3HG2 THR 2 HG22 THR 2 15.221 1.208 5.196 15 H GLN 3 HN GLN 3 12.242 2.991 1.229 16 HA GLN 3 HA GLN 3 12.071 5.832 2.201 17 1HB GLN 3 HB2 GLN 3 10.957 6.245 -0.046 18 2HB GLN 3 HB1 GLN 3 12.671 5.836 -0.121 19 1HG GLN 3 HG2 GLN 3 11.133 3.413 -0.149 20 2HG GLN 3 HG1 GLN 3 10.510 4.500 -1.388 21 1HE2 GLN 3 HE22 GLN 3 13.141 3.484 -3.497 22 2HE2 GLN 3 HE21 GLN 3 11.470 3.695 -3.291 23 H THR 4 HN THR 4 9.873 6.713 2.254 24 HA THR 4 HA THR 4 7.765 4.628 2.710 25 HB THR 4 HB THR 4 8.125 7.250 4.189 26 HG1 THR 4 HG1 THR 4 9.209 4.693 4.621 27 1HG2 THR 4 HG23 THR 4 6.475 4.755 4.621 28 2HG2 THR 4 HG22 THR 4 6.754 5.936 5.900 29 3HG2 THR 4 HG21 THR 4 5.906 6.412 4.429 30 H VAL 5 HN VAL 5 5.870 5.035 1.621 31 HA VAL 5 HA VAL 5 5.389 7.783 0.520 32 HB VAL 5 HB VAL 5 4.612 6.495 -1.554 33 1HG1 VAL 5 HG11 VAL 5 7.007 7.589 -0.920 34 2HG1 VAL 5 HG13 VAL 5 7.506 5.923 -1.216 35 3HG1 VAL 5 HG12 VAL 5 6.679 6.834 -2.480 36 1HG2 VAL 5 HG21 VAL 5 4.837 4.306 0.018 37 2HG2 VAL 5 HG23 VAL 5 4.989 4.240 -1.738 38 3HG2 VAL 5 HG22 VAL 5 6.435 4.293 -0.730 39 H THR 6 HN THR 6 3.089 7.949 -0.256 40 HA THR 6 HA THR 6 1.267 6.474 1.589 41 HB THR 6 HB THR 6 1.527 9.012 1.709 42 HG1 THR 6 HG1 THR 6 -0.629 7.516 1.780 43 1HG2 THR 6 HG23 THR 6 1.546 8.940 -0.973 44 2HG2 THR 6 HG22 THR 6 -0.177 9.221 -0.724 45 3HG2 THR 6 HG21 THR 6 1.005 10.359 -0.077 46 H LEU 7 HN LEU 7 -0.892 5.924 0.575 47 HA LEU 7 HA LEU 7 -0.628 5.609 -2.391 48 1HB LEU 7 HB2 LEU 7 -0.662 3.645 -0.248 49 2HB LEU 7 HB1 LEU 7 -1.980 3.358 -1.385 50 HG LEU 7 HG LEU 7 -0.445 3.294 -3.246 51 1HD1 LEU 7 HD13 LEU 7 1.422 4.409 -1.209 52 2HD1 LEU 7 HD12 LEU 7 2.081 3.434 -2.522 53 3HD1 LEU 7 HD11 LEU 7 1.161 4.891 -2.879 54 1HD2 LEU 7 HD21 LEU 7 0.033 1.605 -0.866 55 2HD2 LEU 7 HD23 LEU 7 -0.291 1.130 -2.533 56 3HD2 LEU 7 HD22 LEU 7 1.340 1.597 -2.051 57 H ALA 8 HN ALA 8 -2.599 5.424 -3.510 58 HA ALA 8 HA ALA 8 -5.038 6.326 -1.991 59 1HB ALA 8 HB3 ALA 8 -3.684 7.828 -3.739 60 2HB ALA 8 HB2 ALA 8 -4.626 6.898 -4.904 61 3HB ALA 8 HB1 ALA 8 -5.446 7.871 -3.683 62 H VAL 9 HN VAL 9 -6.067 4.297 -1.806 63 HA VAL 9 HA VAL 9 -6.402 2.718 -4.338 64 HB VAL 9 HB VAL 9 -5.240 1.642 -2.452 65 1HG1 VAL 9 HG12 VAL 9 -7.162 3.045 -0.933 66 2HG1 VAL 9 HG11 VAL 9 -7.513 1.333 -0.691 67 3HG1 VAL 9 HG13 VAL 9 -5.907 1.963 -0.326 68 1HG2 VAL 9 HG21 VAL 9 -7.676 0.690 -3.697 69 2HG2 VAL 9 HG23 VAL 9 -6.220 -0.214 -3.279 70 3HG2 VAL 9 HG22 VAL 9 -7.502 -0.004 -2.085 71 HA PRO 10 HA PRO 10 -10.621 4.441 -3.596 72 1HB PRO 10 HB2 PRO 10 -11.097 4.229 -6.388 73 2HB PRO 10 HB1 PRO 10 -10.730 5.701 -5.481 74 1HG PRO 10 HG2 PRO 10 -9.044 4.271 -7.351 75 2HG PRO 10 HG1 PRO 10 -8.740 5.819 -6.557 76 1HD PRO 10 HD2 PRO 10 -7.503 3.282 -5.991 77 2HD PRO 10 HD1 PRO 10 -7.239 4.834 -5.161 78 H GLY 11 HN GLY 11 -9.301 1.535 -4.785 79 1HA GLY 11 HA2 GLY 11 -11.770 0.236 -5.592 80 2HA GLY 11 HA1 GLY 11 -10.231 -0.571 -5.290 81 H MET 12 HN MET 12 -10.809 1.283 -2.616 82 HA MET 12 HA MET 12 -11.749 -1.077 -1.093 83 1HB MET 12 HB2 MET 12 -10.962 0.218 0.811 84 2HB MET 12 HB1 MET 12 -9.755 0.327 -0.469 85 1HG MET 12 HG2 MET 12 -9.924 2.563 -0.352 86 2HG MET 12 HG1 MET 12 -11.572 2.422 -0.963 87 1HE MET 12 HE1 MET 12 -12.889 3.669 -0.282 88 2HE MET 12 HE3 MET 12 -13.867 3.084 1.071 89 3HE MET 12 HE2 MET 12 -12.958 4.585 1.220 90 H THR 13 HN THR 13 -13.324 -0.371 0.822 91 HA THR 13 HA THR 13 -15.151 1.800 0.422 92 HB THR 13 HB THR 13 -15.694 0.668 -1.621 93 HG1 THR 13 HG1 THR 13 -17.851 0.304 -1.267 94 1HG2 THR 13 HG23 THR 13 -15.852 -1.785 0.138 95 2HG2 THR 13 HG22 THR 13 -16.533 -1.739 -1.488 96 3HG2 THR 13 HG21 THR 13 -14.799 -1.514 -1.251 97 H CYS 14 HN CYS 14 -14.305 -1.106 2.186 98 HA CYS 14 HA CYS 14 -16.116 -0.276 4.333 99 1HB CYS 14 HB2 CYS 14 -17.725 -1.937 4.123 100 2HB CYS 14 HB1 CYS 14 -17.333 -1.675 2.428 101 H ALA 15 HN ALA 15 -16.184 -2.839 5.649 102 HA ALA 15 HA ALA 15 -13.424 -2.899 6.668 103 1HB ALA 15 HB2 ALA 15 -16.135 -3.787 7.432 104 2HB ALA 15 HB1 ALA 15 -14.844 -4.870 7.953 105 3HB ALA 15 HB3 ALA 15 -14.828 -3.178 8.447 106 H ALA 16 HN ALA 16 -13.026 -3.744 4.171 107 HA ALA 16 HA ALA 16 -12.234 -6.524 4.456 108 1HB ALA 16 HB1 ALA 16 -14.820 -5.763 3.267 109 2HB ALA 16 HB3 ALA 16 -13.861 -6.850 2.260 110 3HB ALA 16 HB2 ALA 16 -14.292 -7.321 3.904 111 H CYS 17 HN CYS 17 -12.908 -3.869 2.130 112 HA CYS 17 HA CYS 17 -10.753 -4.901 0.372 113 1HB CYS 17 HB2 CYS 17 -12.442 -2.432 -0.056 114 2HB CYS 17 HB1 CYS 17 -11.658 -3.434 -1.261 115 HA PRO 18 HA PRO 18 -9.119 -0.432 1.499 116 1HB PRO 18 HB2 PRO 18 -10.235 -0.120 4.192 117 2HB PRO 18 HB1 PRO 18 -10.244 1.034 2.855 118 1HG PRO 18 HG2 PRO 18 -12.472 -0.249 3.777 119 2HG PRO 18 HG1 PRO 18 -12.298 0.335 2.123 120 1HD PRO 18 HD2 PRO 18 -12.192 -2.467 3.134 121 2HD PRO 18 HD1 PRO 18 -12.615 -1.872 1.518 122 H ILE 19 HN ILE 19 -9.863 -2.203 4.508 123 HA ILE 19 HA ILE 19 -7.326 -2.124 5.729 124 HB ILE 19 HB ILE 19 -9.726 -3.925 5.767 125 1HG1 ILE 19 HG12 ILE 19 -8.785 -3.022 8.322 126 2HG1 ILE 19 HG11 ILE 19 -8.767 -1.664 7.200 127 1HG2 ILE 19 HG23 ILE 19 -7.781 -5.457 6.032 128 2HG2 ILE 19 HG22 ILE 19 -7.209 -4.466 7.374 129 3HG2 ILE 19 HG21 ILE 19 -8.738 -5.334 7.508 130 1HD1 ILE 19 HD13 ILE 19 -11.122 -2.280 6.539 131 2HD1 ILE 19 HD12 ILE 19 -11.112 -3.472 7.839 132 3HD1 ILE 19 HD11 ILE 19 -10.963 -1.756 8.216 133 H THR 20 HN THR 20 -8.464 -4.250 3.111 134 HA THR 20 HA THR 20 -6.429 -6.257 3.300 135 HB THR 20 HB THR 20 -8.092 -5.139 1.019 136 HG1 THR 20 HG1 THR 20 -8.906 -7.443 1.435 137 1HG2 THR 20 HG23 THR 20 -6.311 -7.594 1.085 138 2HG2 THR 20 HG22 THR 20 -7.441 -7.195 -0.209 139 3HG2 THR 20 HG21 THR 20 -6.057 -6.149 0.105 140 H VAL 21 HN VAL 21 -6.522 -3.044 2.003 141 HA VAL 21 HA VAL 21 -4.211 -3.185 0.344 142 HB VAL 21 HB VAL 21 -5.617 -0.939 1.824 143 1HG1 VAL 21 HG11 VAL 21 -3.068 -0.736 0.956 144 2HG1 VAL 21 HG13 VAL 21 -3.914 -0.370 -0.548 145 3HG1 VAL 21 HG12 VAL 21 -4.207 0.609 0.889 146 1HG2 VAL 21 HG21 VAL 21 -6.124 -2.425 -0.615 147 2HG2 VAL 21 HG23 VAL 21 -7.138 -1.224 0.183 148 3HG2 VAL 21 HG22 VAL 21 -5.903 -0.711 -0.967 149 H LYS 22 HN LYS 22 -4.788 -2.711 3.773 150 HA LYS 22 HA LYS 22 -2.141 -1.768 4.434 151 1HB LYS 22 HB2 LYS 22 -3.859 -1.345 6.007 152 2HB LYS 22 HB1 LYS 22 -4.489 -2.984 5.887 153 1HG LYS 22 HG2 LYS 22 -3.155 -3.687 7.560 154 2HG LYS 22 HG1 LYS 22 -1.728 -3.016 6.771 155 1HD LYS 22 HD2 LYS 22 -2.508 -0.732 7.626 156 2HD LYS 22 HD1 LYS 22 -3.640 -1.619 8.649 157 1HE LYS 22 HE2 LYS 22 -1.558 -2.977 9.422 158 2HE LYS 22 HE1 LYS 22 -0.621 -1.631 8.741 159 1HZ LYS 22 HZ3 LYS 22 -2.000 -0.094 10.030 160 2HZ LYS 22 HZ2 LYS 22 -2.821 -1.407 10.729 161 3HZ LYS 22 HZ1 LYS 22 -1.168 -1.172 11.041 162 H LYS 23 HN LYS 23 -3.769 -4.916 4.482 163 HA LYS 23 HA LYS 23 -1.498 -6.378 5.424 164 1HB LYS 23 HB2 LYS 23 -3.985 -6.986 5.437 165 2HB LYS 23 HB1 LYS 23 -3.780 -7.408 3.736 166 1HG LYS 23 HG2 LYS 23 -1.912 -8.543 5.801 167 2HG LYS 23 HG1 LYS 23 -3.495 -9.278 5.542 168 1HD LYS 23 HD2 LYS 23 -2.350 -8.784 2.979 169 2HD LYS 23 HD1 LYS 23 -1.125 -9.582 3.966 170 1HE LYS 23 HE2 LYS 23 -2.198 -11.539 3.568 171 2HE LYS 23 HE1 LYS 23 -3.559 -10.920 4.524 172 1HZ LYS 23 HZ1 LYS 23 -4.307 -9.722 2.516 173 2HZ LYS 23 HZ3 LYS 23 -3.086 -10.487 1.622 174 3HZ LYS 23 HZ2 LYS 23 -4.332 -11.409 2.317 175 H ALA 24 HN ALA 24 -2.460 -5.204 2.333 176 HA ALA 24 HA ALA 24 -0.943 -6.994 0.689 177 1HB ALA 24 HB1 ALA 24 -2.461 -4.466 0.473 178 2HB ALA 24 HB3 ALA 24 -1.231 -4.711 -0.766 179 3HB ALA 24 HB2 ALA 24 -2.517 -5.898 -0.554 180 H LEU 25 HN LEU 25 -0.304 -3.664 1.853 181 HA LEU 25 HA LEU 25 2.298 -3.389 0.695 182 1HB LEU 25 HB2 LEU 25 1.319 -2.239 3.324 183 2HB LEU 25 HB1 LEU 25 2.489 -1.526 2.217 184 HG LEU 25 HG LEU 25 -0.038 -2.096 0.886 185 1HD1 LEU 25 HD12 LEU 25 -0.667 -1.637 3.353 186 2HD1 LEU 25 HD11 LEU 25 -0.143 0.015 3.037 187 3HD1 LEU 25 HD13 LEU 25 -1.475 -0.678 2.113 188 1HD2 LEU 25 HD23 LEU 25 1.925 0.130 1.230 189 2HD2 LEU 25 HD22 LEU 25 1.261 -0.559 -0.251 190 3HD2 LEU 25 HD21 LEU 25 0.297 0.562 0.709 191 H SER 26 HN SER 26 1.234 -4.592 3.867 192 HA SER 26 HA SER 26 3.894 -5.088 4.889 193 1HB SER 26 HB2 SER 26 2.714 -5.874 6.743 194 2HB SER 26 HB1 SER 26 1.485 -4.862 5.991 195 HG SER 26 HG SER 26 1.255 -7.365 6.553 196 H LYS 27 HN LYS 27 1.766 -6.759 2.720 197 HA LYS 27 HA LYS 27 3.184 -9.317 3.061 198 1HB LYS 27 HB2 LYS 27 0.931 -9.748 2.781 199 2HB LYS 27 HB1 LYS 27 0.682 -8.289 1.827 200 1HG LYS 27 HG2 LYS 27 2.297 -10.549 0.688 201 2HG LYS 27 HG1 LYS 27 0.533 -10.616 0.644 202 1HD LYS 27 HD2 LYS 27 1.165 -8.011 -0.169 203 2HD LYS 27 HD1 LYS 27 2.347 -9.034 -0.987 204 1HE LYS 27 HE2 LYS 27 -0.486 -9.986 -0.984 205 2HE LYS 27 HE1 LYS 27 -0.088 -8.613 -2.036 206 1HZ LYS 27 HZ2 LYS 27 1.877 -10.739 -1.997 207 2HZ LYS 27 HZ1 LYS 27 0.385 -11.177 -2.682 208 3HZ LYS 27 HZ3 LYS 27 1.253 -9.863 -3.312 209 H VAL 28 HN VAL 28 3.515 -6.478 1.295 210 HA VAL 28 HA VAL 28 4.209 -7.238 -1.314 211 HB VAL 28 HB VAL 28 5.087 -5.127 0.644 212 1HG1 VAL 28 HG11 VAL 28 6.277 -5.694 -2.078 213 2HG1 VAL 28 HG13 VAL 28 6.268 -4.067 -1.397 214 3HG1 VAL 28 HG12 VAL 28 7.120 -5.368 -0.563 215 1HG2 VAL 28 HG22 VAL 28 3.576 -5.185 -1.983 216 2HG2 VAL 28 HG21 VAL 28 2.929 -4.824 -0.383 217 3HG2 VAL 28 HG23 VAL 28 4.035 -3.693 -1.163 218 H GLU 29 HN GLU 29 6.768 -6.457 1.014 219 HA GLU 29 HA GLU 29 8.121 -8.904 1.227 220 1HB GLU 29 HB2 GLU 29 8.228 -7.621 -1.416 221 2HB GLU 29 HB1 GLU 29 9.823 -8.000 -0.763 222 1HG GLU 29 HG2 GLU 29 7.898 -10.147 -0.328 223 2HG GLU 29 HG1 GLU 29 8.129 -9.784 -2.038 224 H GLY 30 HN GLY 30 9.631 -6.046 -0.205 225 1HA GLY 30 HA2 GLY 30 11.522 -5.789 1.942 226 2HA GLY 30 HA1 GLY 30 11.266 -4.599 0.667 227 H VAL 31 HN VAL 31 8.269 -4.947 1.783 228 HA VAL 31 HA VAL 31 8.003 -2.460 3.046 229 HB VAL 31 HB VAL 31 6.232 -4.111 2.261 230 1HG1 VAL 31 HG13 VAL 31 7.316 -5.957 3.737 231 2HG1 VAL 31 HG12 VAL 31 6.401 -5.224 5.055 232 3HG1 VAL 31 HG11 VAL 31 5.556 -5.883 3.655 233 1HG2 VAL 31 HG23 VAL 31 6.193 -2.170 4.347 234 2HG2 VAL 31 HG22 VAL 31 4.858 -2.668 3.307 235 3HG2 VAL 31 HG21 VAL 31 5.138 -3.495 4.840 236 H SER 32 HN SER 32 8.759 -1.678 4.904 237 HA SER 32 HA SER 32 9.699 -3.586 7.005 238 1HB SER 32 HB2 SER 32 11.569 -2.325 6.689 239 2HB SER 32 HB1 SER 32 10.675 -1.102 5.789 240 HG SER 32 HG SER 32 11.489 -1.091 8.356 241 H LYS 33 HN LYS 33 7.364 -1.233 6.220 242 HA LYS 33 HA LYS 33 6.133 -1.473 8.878 243 1HB LYS 33 HB2 LYS 33 7.491 0.228 9.633 244 2HB LYS 33 HB1 LYS 33 7.773 0.859 8.016 245 1HG LYS 33 HG2 LYS 33 5.739 2.063 8.002 246 2HG LYS 33 HG1 LYS 33 5.071 1.118 9.333 247 1HD LYS 33 HD2 LYS 33 5.856 2.633 10.798 248 2HD LYS 33 HD1 LYS 33 7.500 2.308 10.246 249 1HE LYS 33 HE2 LYS 33 7.469 4.489 9.555 250 2HE LYS 33 HE1 LYS 33 6.493 3.882 8.203 251 1HZ LYS 33 HZ3 LYS 33 4.540 4.072 9.767 252 2HZ LYS 33 HZ2 LYS 33 5.546 4.989 10.784 253 3HZ LYS 33 HZ1 LYS 33 5.187 5.538 9.216 254 H VAL 34 HN VAL 34 3.969 -0.412 8.884 255 HA VAL 34 HA VAL 34 2.994 0.542 6.247 256 HB VAL 34 HB VAL 34 1.939 -1.892 7.725 257 1HG1 VAL 34 HG11 VAL 34 0.372 -0.231 6.359 258 2HG1 VAL 34 HG13 VAL 34 1.062 -1.086 4.980 259 3HG1 VAL 34 HG12 VAL 34 0.181 -1.979 6.219 260 1HG2 VAL 34 HG21 VAL 34 3.401 -1.567 5.084 261 2HG2 VAL 34 HG23 VAL 34 4.014 -2.372 6.529 262 3HG2 VAL 34 HG22 VAL 34 2.663 -3.071 5.637 263 H ASP 35 HN ASP 35 1.053 1.752 6.427 264 HA ASP 35 HA ASP 35 -0.475 1.910 8.901 265 1HB ASP 35 HB2 ASP 35 1.653 3.097 9.468 266 2HB ASP 35 HB1 ASP 35 1.375 4.193 8.115 267 H VAL 36 HN VAL 36 -2.200 1.624 7.362 268 HA VAL 36 HA VAL 36 -2.532 3.802 5.342 269 HB VAL 36 HB VAL 36 -3.822 2.191 4.140 270 1HG1 VAL 36 HG12 VAL 36 -1.212 1.662 4.922 271 2HG1 VAL 36 HG11 VAL 36 -2.045 0.138 5.229 272 3HG1 VAL 36 HG13 VAL 36 -2.078 0.852 3.617 273 1HG2 VAL 36 HG22 VAL 36 -5.177 1.455 6.107 274 2HG2 VAL 36 HG21 VAL 36 -4.613 0.101 5.130 275 3HG2 VAL 36 HG23 VAL 36 -3.808 0.486 6.651 276 H GLY 37 HN GLY 37 -5.271 3.326 4.944 277 1HA GLY 37 HA2 GLY 37 -6.691 3.793 7.466 278 2HA GLY 37 HA1 GLY 37 -6.653 5.172 6.361 279 H PHE 38 HN PHE 38 -7.854 1.929 6.845 280 HA PHE 38 HA PHE 38 -8.876 1.069 4.492 281 1HB PHE 38 HB2 PHE 38 -11.015 0.584 6.046 282 2HB PHE 38 HB1 PHE 38 -9.485 -0.247 6.283 283 HD1 PHE 38 HD2 PHE 38 -10.248 3.316 7.122 284 HD2 PHE 38 HD1 PHE 38 -9.503 -0.639 8.624 285 HE1 PHE 38 HE2 PHE 38 -10.099 4.220 9.422 286 HE2 PHE 38 HE1 PHE 38 -9.349 0.268 10.926 287 HZ PHE 38 HZ PHE 38 -9.647 2.697 11.326 288 H GLU 39 HN GLU 39 -11.591 2.336 6.209 289 HA GLU 39 HA GLU 39 -13.143 3.310 4.213 290 1HB GLU 39 HB2 GLU 39 -13.391 3.400 6.781 291 2HB GLU 39 HB1 GLU 39 -12.613 4.980 6.674 292 1HG GLU 39 HG2 GLU 39 -15.082 5.179 6.633 293 2HG GLU 39 HG1 GLU 39 -14.359 5.758 5.132 294 H LYS 40 HN LYS 40 -10.371 5.107 5.584 295 HA LYS 40 HA LYS 40 -10.752 7.323 3.666 296 1HB LYS 40 HB2 LYS 40 -9.676 6.987 6.218 297 2HB LYS 40 HB1 LYS 40 -8.258 7.220 5.193 298 1HG LYS 40 HG2 LYS 40 -10.684 9.026 5.075 299 2HG LYS 40 HG1 LYS 40 -9.290 9.358 6.105 300 1HD LYS 40 HD2 LYS 40 -7.831 9.224 4.064 301 2HD LYS 40 HD1 LYS 40 -9.293 9.088 3.086 302 1HE LYS 40 HE2 LYS 40 -8.864 11.407 3.030 303 2HE LYS 40 HE1 LYS 40 -10.013 11.279 4.377 304 1HZ LYS 40 HZ2 LYS 40 -7.062 11.106 4.680 305 2HZ LYS 40 HZ1 LYS 40 -7.960 12.522 4.952 306 3HZ LYS 40 HZ3 LYS 40 -8.216 11.158 5.926 307 H ARG 41 HN ARG 41 -10.385 4.920 2.351 308 HA ARG 41 HA ARG 41 -8.474 3.569 1.379 309 1HB ARG 41 HB2 ARG 41 -8.988 4.172 -0.863 310 2HB ARG 41 HB1 ARG 41 -10.429 4.520 0.089 311 1HG ARG 41 HG2 ARG 41 -10.357 6.645 -0.652 312 2HG ARG 41 HG1 ARG 41 -8.825 6.852 0.185 313 1HD ARG 41 HD2 ARG 41 -7.610 6.694 -1.748 314 2HD ARG 41 HD1 ARG 41 -8.614 5.381 -2.383 315 HE ARG 41 HE ARG 41 -8.886 8.161 -3.033 316 1HH1 ARG 41 HH21 ARG 41 -10.848 5.465 -2.079 317 2HH1 ARG 41 HH22 ARG 41 -12.310 6.177 -2.668 318 1HH2 ARG 41 HH11 ARG 41 -10.781 9.068 -3.800 319 2HH2 ARG 41 HH12 ARG 41 -12.274 8.206 -3.638 320 H GLU 42 HN GLU 42 -6.604 4.482 2.759 321 HA GLU 42 HA GLU 42 -4.737 5.845 0.885 322 1HB GLU 42 HB2 GLU 42 -5.881 7.621 2.165 323 2HB GLU 42 HB1 GLU 42 -5.422 6.836 3.676 324 1HG GLU 42 HG2 GLU 42 -3.114 7.228 1.956 325 2HG GLU 42 HG1 GLU 42 -3.935 8.755 2.279 326 H ALA 43 HN ALA 43 -2.973 4.477 0.905 327 HA ALA 43 HA ALA 43 -2.316 3.077 3.461 328 1HB ALA 43 HB2 ALA 43 -2.136 2.471 0.549 329 2HB ALA 43 HB1 ALA 43 -0.913 1.755 1.599 330 3HB ALA 43 HB3 ALA 43 -2.621 1.425 1.883 331 H VAL 44 HN VAL 44 -0.656 3.980 4.566 332 HA VAL 44 HA VAL 44 1.526 5.344 3.037 333 HB VAL 44 HB VAL 44 0.024 5.831 5.529 334 1HG1 VAL 44 HG13 VAL 44 3.039 5.940 5.493 335 2HG1 VAL 44 HG12 VAL 44 2.107 7.047 6.501 336 3HG1 VAL 44 HG11 VAL 44 1.976 5.307 6.749 337 1HG2 VAL 44 HG21 VAL 44 0.168 7.285 3.452 338 2HG2 VAL 44 HG23 VAL 44 0.464 8.118 4.977 339 3HG2 VAL 44 HG22 VAL 44 1.818 7.673 3.939 340 H VAL 45 HN VAL 45 3.122 3.841 2.719 341 HA VAL 45 HA VAL 45 3.807 2.110 5.086 342 HB VAL 45 HB VAL 45 3.507 1.519 2.145 343 1HG1 VAL 45 HG11 VAL 45 5.328 0.290 4.075 344 2HG1 VAL 45 HG13 VAL 45 4.193 -0.869 3.388 345 3HG1 VAL 45 HG12 VAL 45 5.238 0.077 2.329 346 1HG2 VAL 45 HG22 VAL 45 2.000 1.057 4.593 347 2HG2 VAL 45 HG21 VAL 45 1.497 0.852 2.915 348 3HG2 VAL 45 HG23 VAL 45 2.339 -0.454 3.748 349 H THR 46 HN THR 46 5.950 1.542 5.363 350 HA THR 46 HA THR 46 7.986 3.165 3.878 351 HB THR 46 HB THR 46 7.695 2.075 6.676 352 HG1 THR 46 HG1 THR 46 8.693 4.356 6.852 353 1HG2 THR 46 HG22 THR 46 10.210 2.537 5.132 354 2HG2 THR 46 HG21 THR 46 10.181 3.024 6.827 355 3HG2 THR 46 HG23 THR 46 9.867 1.345 6.386 356 H PHE 47 HN PHE 47 10.008 1.915 3.344 357 HA PHE 47 HA PHE 47 10.077 -0.940 3.801 358 1HB PHE 47 HB2 PHE 47 9.493 -1.644 1.540 359 2HB PHE 47 HB1 PHE 47 8.173 -0.677 2.202 360 HD1 PHE 47 HD2 PHE 47 10.993 -0.722 -0.194 361 HD2 PHE 47 HD1 PHE 47 7.732 1.580 1.416 362 HE1 PHE 47 HE2 PHE 47 11.223 0.904 -2.044 363 HE2 PHE 47 HE1 PHE 47 7.968 3.203 -0.440 364 HZ PHE 47 HZ PHE 47 9.710 2.865 -2.166 365 H ASP 48 HN ASP 48 11.614 -1.956 2.078 366 HA ASP 48 HA ASP 48 13.937 -0.108 1.778 367 1HB ASP 48 HB2 ASP 48 13.928 -3.135 1.681 368 2HB ASP 48 HB1 ASP 48 15.281 -2.068 2.055 369 H ASP 49 HN ASP 49 14.018 0.631 -0.312 370 HA ASP 49 HA ASP 49 12.575 -0.471 -2.488 371 1HB ASP 49 HB2 ASP 49 13.184 1.659 -2.982 372 2HB ASP 49 HB1 ASP 49 14.605 1.585 -1.949 373 H THR 50 HN THR 50 15.386 -1.718 -1.005 374 HA THR 50 HA THR 50 16.782 -2.793 -3.267 375 HB THR 50 HB THR 50 17.652 -2.580 -0.948 376 HG1 THR 50 HG1 THR 50 18.190 -4.362 -2.601 377 1HG2 THR 50 HG21 THR 50 15.335 -4.337 -0.427 378 2HG2 THR 50 HG23 THR 50 16.818 -4.796 0.405 379 3HG2 THR 50 HG22 THR 50 16.138 -3.187 0.638 380 H LYS 51 HN LYS 51 13.876 -3.812 -1.592 381 HA LYS 51 HA LYS 51 13.737 -6.206 -3.385 382 1HB LYS 51 HB2 LYS 51 13.735 -5.960 -0.519 383 2HB LYS 51 HB1 LYS 51 12.182 -6.613 -1.046 384 1HG LYS 51 HG2 LYS 51 13.526 -8.238 -2.500 385 2HG LYS 51 HG1 LYS 51 14.943 -7.723 -1.584 386 1HD LYS 51 HD2 LYS 51 12.433 -8.696 -0.213 387 2HD LYS 51 HD1 LYS 51 13.704 -9.808 -0.722 388 1HE LYS 51 HE2 LYS 51 15.237 -8.979 0.826 389 2HE LYS 51 HE1 LYS 51 14.460 -7.384 0.890 390 1HZ LYS 51 HZ2 LYS 51 12.937 -9.766 1.698 391 2HZ LYS 51 HZ1 LYS 51 14.045 -9.089 2.794 392 3HZ LYS 51 HZ3 LYS 51 12.759 -8.154 2.203 393 H ALA 52 HN ALA 52 12.023 -3.633 -1.760 394 HA ALA 52 HA ALA 52 9.605 -4.166 -3.456 395 1HB ALA 52 HB2 ALA 52 10.077 -3.327 -0.628 396 2HB ALA 52 HB1 ALA 52 8.677 -2.636 -1.450 397 3HB ALA 52 HB3 ALA 52 8.830 -4.386 -1.287 398 H SER 53 HN SER 53 8.331 -1.770 -3.191 399 HA SER 53 HA SER 53 9.989 0.563 -3.497 400 1HB SER 53 HB2 SER 53 9.955 -1.278 -5.650 401 2HB SER 53 HB1 SER 53 8.981 0.097 -6.161 402 HG SER 53 HG SER 53 10.946 0.815 -6.599 403 H VAL 54 HN VAL 54 8.661 2.444 -3.924 404 HA VAL 54 HA VAL 54 6.094 2.567 -2.965 405 HB VAL 54 HB VAL 54 5.968 4.636 -4.290 406 1HG1 VAL 54 HG12 VAL 54 7.606 4.312 -2.319 407 2HG1 VAL 54 HG11 VAL 54 8.862 4.252 -3.555 408 3HG1 VAL 54 HG13 VAL 54 7.868 5.698 -3.378 409 1HG2 VAL 54 HG22 VAL 54 6.778 3.628 -6.421 410 2HG2 VAL 54 HG21 VAL 54 7.633 5.115 -6.015 411 3HG2 VAL 54 HG23 VAL 54 8.401 3.553 -5.733 412 H GLN 55 HN GLN 55 7.086 1.662 -6.254 413 HA GLN 55 HA GLN 55 4.416 1.528 -7.348 414 1HB GLN 55 HB2 GLN 55 6.963 1.412 -8.309 415 2HB GLN 55 HB1 GLN 55 6.538 -0.300 -8.343 416 1HG GLN 55 HG2 GLN 55 4.786 0.025 -9.852 417 2HG GLN 55 HG1 GLN 55 4.602 1.726 -9.426 418 1HE2 GLN 55 HE22 GLN 55 6.322 2.236 -12.520 419 2HE2 GLN 55 HE21 GLN 55 4.791 2.219 -11.788 420 H LYS 56 HN LYS 56 6.616 -0.900 -5.910 421 HA LYS 56 HA LYS 56 4.914 -3.167 -6.181 422 1HB LYS 56 HB2 LYS 56 7.432 -2.567 -5.228 423 2HB LYS 56 HB1 LYS 56 6.572 -3.002 -3.751 424 1HG LYS 56 HG2 LYS 56 6.630 -5.182 -4.301 425 2HG LYS 56 HG1 LYS 56 5.881 -4.845 -5.862 426 1HD LYS 56 HD2 LYS 56 8.276 -3.988 -6.514 427 2HD LYS 56 HD1 LYS 56 8.796 -4.987 -5.156 428 1HE LYS 56 HE2 LYS 56 8.122 -6.974 -6.184 429 2HE LYS 56 HE1 LYS 56 6.925 -6.153 -7.206 430 1HZ LYS 56 HZ2 LYS 56 8.728 -5.037 -8.366 431 2HZ LYS 56 HZ1 LYS 56 9.875 -5.842 -7.404 432 3HZ LYS 56 HZ3 LYS 56 8.905 -6.723 -8.481 433 H LEU 57 HN LEU 57 4.883 -0.487 -3.874 434 HA LEU 57 HA LEU 57 3.222 -1.777 -1.877 435 1HB LEU 57 HB2 LEU 57 3.471 1.166 -2.598 436 2HB LEU 57 HB1 LEU 57 2.989 0.503 -1.038 437 HG LEU 57 HG LEU 57 5.709 0.051 -2.310 438 1HD1 LEU 57 HD13 LEU 57 4.832 2.431 -1.344 439 2HD1 LEU 57 HD12 LEU 57 5.428 1.688 0.139 440 3HD1 LEU 57 HD11 LEU 57 6.507 1.895 -1.240 441 1HD2 LEU 57 HD21 LEU 57 4.307 -1.044 0.009 442 2HD2 LEU 57 HD23 LEU 57 5.803 -1.586 -0.752 443 3HD2 LEU 57 HD22 LEU 57 5.842 -0.295 0.448 444 H THR 58 HN THR 58 2.533 0.558 -4.485 445 HA THR 58 HA THR 58 -0.333 0.433 -4.287 446 HB THR 58 HB THR 58 1.178 0.967 -6.833 447 HG1 THR 58 HG1 THR 58 1.336 2.368 -4.401 448 1HG2 THR 58 HG22 THR 58 -1.390 1.245 -6.338 449 2HG2 THR 58 HG21 THR 58 -0.877 2.733 -5.543 450 3HG2 THR 58 HG23 THR 58 -0.537 2.486 -7.257 451 H LYS 59 HN LYS 59 2.081 -1.675 -5.545 452 HA LYS 59 HA LYS 59 0.306 -3.073 -7.424 453 1HB LYS 59 HB2 LYS 59 3.046 -2.754 -7.063 454 2HB LYS 59 HB1 LYS 59 2.758 -4.415 -6.543 455 1HG LYS 59 HG2 LYS 59 1.707 -3.280 -9.145 456 2HG LYS 59 HG1 LYS 59 3.227 -4.164 -9.015 457 1HD LYS 59 HD2 LYS 59 2.122 -6.119 -9.081 458 2HD LYS 59 HD1 LYS 59 1.184 -5.653 -7.662 459 1HE LYS 59 HE2 LYS 59 -0.591 -5.749 -9.113 460 2HE LYS 59 HE1 LYS 59 -0.019 -4.150 -9.630 461 1HZ LYS 59 HZ1 LYS 59 1.069 -6.682 -10.724 462 2HZ LYS 59 HZ3 LYS 59 -0.223 -5.857 -11.450 463 3HZ LYS 59 HZ2 LYS 59 1.297 -5.108 -11.321 464 H ALA 60 HN ALA 60 1.289 -3.236 -4.080 465 HA ALA 60 HA ALA 60 0.489 -5.989 -3.621 466 1HB ALA 60 HB2 ALA 60 1.895 -4.041 -2.288 467 2HB ALA 60 HB1 ALA 60 0.369 -4.025 -1.405 468 3HB ALA 60 HB3 ALA 60 1.303 -5.516 -1.526 469 H THR 61 HN THR 61 -1.078 -2.808 -3.229 470 HA THR 61 HA THR 61 -3.608 -3.992 -2.298 471 HB THR 61 HB THR 61 -2.763 -1.694 -1.764 472 HG1 THR 61 HG1 THR 61 -5.129 -2.427 -2.178 473 1HG2 THR 61 HG21 THR 61 -1.802 -1.305 -4.053 474 2HG2 THR 61 HG23 THR 61 -3.448 -1.092 -4.648 475 3HG2 THR 61 HG22 THR 61 -2.787 0.031 -3.459 476 H ALA 62 HN ALA 62 -2.193 -2.765 -5.294 477 HA ALA 62 HA ALA 62 -4.475 -2.997 -6.986 478 1HB ALA 62 HB2 ALA 62 -1.508 -3.399 -7.510 479 2HB ALA 62 HB1 ALA 62 -2.718 -3.140 -8.764 480 3HB ALA 62 HB3 ALA 62 -2.369 -1.863 -7.599 481 H ASP 63 HN ASP 63 -2.214 -5.303 -5.622 482 HA ASP 63 HA ASP 63 -3.133 -7.525 -7.318 483 1HB ASP 63 HB2 ASP 63 -1.072 -6.938 -5.278 484 2HB ASP 63 HB1 ASP 63 -1.689 -8.590 -5.238 485 H ALA 64 HN ALA 64 -3.891 -6.064 -4.234 486 HA ALA 64 HA ALA 64 -5.280 -8.342 -3.096 487 1HB ALA 64 HB1 ALA 64 -4.629 -5.581 -2.493 488 2HB ALA 64 HB3 ALA 64 -6.322 -5.898 -2.115 489 3HB ALA 64 HB2 ALA 64 -5.055 -6.878 -1.376 490 H GLY 65 HN GLY 65 -5.921 -6.053 -5.571 491 1HA GLY 65 HA2 GLY 65 -7.816 -6.534 -7.086 492 2HA GLY 65 HA1 GLY 65 -8.755 -6.956 -5.655 493 H TYR 66 HN TYR 66 -6.600 -4.216 -5.632 494 HA TYR 66 HA TYR 66 -8.949 -2.370 -5.863 495 1HB TYR 66 HB2 TYR 66 -6.768 -2.288 -3.752 496 2HB TYR 66 HB1 TYR 66 -8.220 -1.285 -3.815 497 HD1 TYR 66 HD1 TYR 66 -10.353 -3.085 -4.482 498 HD2 TYR 66 HD2 TYR 66 -6.962 -3.782 -1.925 499 HE1 TYR 66 HE1 TYR 66 -11.626 -4.827 -3.265 500 HE2 TYR 66 HE2 TYR 66 -8.243 -5.521 -0.726 501 HH TYR 66 HH TYR 66 -10.653 -7.077 -1.733 502 HA PRO 67 HA PRO 67 -5.642 -0.885 -8.671 503 1HB PRO 67 HB2 PRO 67 -7.679 0.896 -9.690 504 2HB PRO 67 HB1 PRO 67 -6.932 -0.486 -10.496 505 1HG PRO 67 HG2 PRO 67 -9.592 -0.301 -9.464 506 2HG PRO 67 HG1 PRO 67 -8.821 -1.699 -10.218 507 1HD PRO 67 HD2 PRO 67 -9.508 -1.345 -7.438 508 2HD PRO 67 HD1 PRO 67 -8.722 -2.751 -8.197 509 H SER 68 HN SER 68 -4.519 0.231 -6.980 510 HA SER 68 HA SER 68 -5.643 2.886 -6.158 511 1HB SER 68 HB2 SER 68 -4.547 2.527 -4.144 512 2HB SER 68 HB1 SER 68 -4.839 0.859 -4.627 513 HG SER 68 HG SER 68 -2.486 2.332 -4.557 514 H SER 69 HN SER 69 -3.321 4.123 -5.361 515 HA SER 69 HA SER 69 -1.439 4.146 -7.658 516 1HB SER 69 HB2 SER 69 -1.855 6.573 -7.961 517 2HB SER 69 HB1 SER 69 -3.331 5.647 -8.223 518 HG SER 69 HG SER 69 -3.834 7.321 -6.859 519 H VAL 70 HN VAL 70 0.093 6.283 -6.995 520 HA VAL 70 HA VAL 70 0.599 6.075 -4.067 521 HB VAL 70 HB VAL 70 1.827 4.475 -5.670 522 1HG1 VAL 70 HG13 VAL 70 2.336 6.531 -7.206 523 2HG1 VAL 70 HG12 VAL 70 3.671 6.818 -6.090 524 3HG1 VAL 70 HG11 VAL 70 3.583 5.303 -6.988 525 1HG2 VAL 70 HG21 VAL 70 2.666 5.891 -3.312 526 2HG2 VAL 70 HG23 VAL 70 3.103 4.260 -3.819 527 3HG2 VAL 70 HG22 VAL 70 4.072 5.635 -4.344 528 H LYS 71 HN LYS 71 1.730 7.908 -3.167 529 HA LYS 71 HA LYS 71 2.547 10.104 -4.954 530 1HB LYS 71 HB2 LYS 71 0.751 11.589 -3.723 531 2HB LYS 71 HB1 LYS 71 0.259 10.595 -5.096 532 1HG LYS 71 HG2 LYS 71 -1.029 9.256 -3.804 533 2HG LYS 71 HG1 LYS 71 0.206 9.143 -2.551 534 1HD LYS 71 HD2 LYS 71 -1.928 10.288 -1.824 535 2HD LYS 71 HD1 LYS 71 -0.462 11.243 -1.591 536 1HE LYS 71 HE2 LYS 71 -1.465 11.732 -4.246 537 2HE LYS 71 HE1 LYS 71 -2.771 11.987 -3.071 538 1HZ LYS 71 HZ3 LYS 71 -0.047 12.973 -2.520 539 2HZ LYS 71 HZ2 LYS 71 -1.108 13.893 -3.476 540 3HZ LYS 71 HZ1 LYS 71 -1.522 13.505 -1.874 541 H GLN 72 HN GLN 72 3.920 8.681 -2.958 542 HA GLN 72 HA GLN 72 5.099 8.957 -0.903 543 1HB GLN 72 HB2 GLN 72 5.207 11.404 -2.610 544 2HB GLN 72 HB1 GLN 72 5.941 11.497 -1.008 545 1HG GLN 72 HG2 GLN 72 7.702 10.256 -1.666 546 2HG GLN 72 HG1 GLN 72 6.642 9.007 -2.319 547 1HE2 GLN 72 HE22 GLN 72 6.954 10.117 -5.664 548 2HE2 GLN 72 HE21 GLN 72 6.205 9.029 -4.598 No H/Q in entry = 548 Start of MODEL 3 1 1H ALA 1 HT1 ALA 1 -18.303 1.949 -3.447 2 2H ALA 1 HT3 ALA 1 -19.184 2.214 -2.022 3 3H ALA 1 HT2 ALA 1 -18.054 3.368 -2.548 4 HA ALA 1 HA ALA 1 -17.026 2.181 -0.770 5 1HB ALA 1 HB2 ALA 1 -18.353 -0.047 -2.268 6 2HB ALA 1 HB1 ALA 1 -16.919 -0.422 -1.313 7 3HB ALA 1 HB3 ALA 1 -18.337 0.278 -0.534 8 H THR 2 HN THR 2 -15.542 3.509 -2.277 9 HA THR 2 HA THR 2 -13.450 1.792 -3.320 10 HB THR 2 HB THR 2 -14.630 1.991 -5.311 11 HG1 THR 2 HG1 THR 2 -13.517 3.650 -6.500 12 1HG2 THR 2 HG22 THR 2 -15.553 4.536 -4.119 13 2HG2 THR 2 HG21 THR 2 -15.402 4.527 -5.875 14 3HG2 THR 2 HG23 THR 2 -16.448 3.355 -5.074 15 H GLN 3 HN GLN 3 -12.162 2.663 -1.733 16 HA GLN 3 HA GLN 3 -11.823 5.638 -1.675 17 1HB GLN 3 HB2 GLN 3 -10.683 3.773 0.378 18 2HB GLN 3 HB1 GLN 3 -11.325 5.397 0.590 19 1HG GLN 3 HG2 GLN 3 -13.602 4.297 -0.120 20 2HG GLN 3 HG1 GLN 3 -12.811 2.794 0.354 21 1HE2 GLN 3 HE22 GLN 3 -12.390 4.045 3.812 22 2HE2 GLN 3 HE21 GLN 3 -11.388 3.407 2.600 23 H THR 4 HN THR 4 -9.633 6.478 -1.466 24 HA THR 4 HA THR 4 -7.464 4.637 -2.382 25 HB THR 4 HB THR 4 -8.042 7.386 -3.535 26 HG1 THR 4 HG1 THR 4 -8.992 4.845 -4.165 27 1HG2 THR 4 HG22 THR 4 -6.242 5.097 -4.369 28 2HG2 THR 4 HG21 THR 4 -6.543 6.531 -5.351 29 3HG2 THR 4 HG23 THR 4 -5.734 6.684 -3.791 30 H VAL 5 HN VAL 5 -5.689 4.937 -1.121 31 HA VAL 5 HA VAL 5 -5.250 7.599 0.206 32 HB VAL 5 HB VAL 5 -4.779 6.421 2.253 33 1HG1 VAL 5 HG13 VAL 5 -7.267 6.522 1.139 34 2HG1 VAL 5 HG12 VAL 5 -7.115 4.792 1.445 35 3HG1 VAL 5 HG11 VAL 5 -6.949 5.940 2.772 36 1HG2 VAL 5 HG22 VAL 5 -3.609 4.510 1.165 37 2HG2 VAL 5 HG21 VAL 5 -4.779 3.972 2.369 38 3HG2 VAL 5 HG23 VAL 5 -5.171 3.873 0.653 39 H THR 6 HN THR 6 -2.951 7.709 1.014 40 HA THR 6 HA THR 6 -1.098 6.414 -0.932 41 HB THR 6 HB THR 6 -1.354 8.940 -0.852 42 HG1 THR 6 HG1 THR 6 0.615 8.857 -1.521 43 1HG2 THR 6 HG23 THR 6 -1.696 9.037 1.621 44 2HG2 THR 6 HG22 THR 6 0.002 8.614 1.837 45 3HG2 THR 6 HG21 THR 6 -0.437 10.132 1.054 46 H LEU 7 HN LEU 7 1.019 5.729 0.046 47 HA LEU 7 HA LEU 7 0.742 5.187 2.978 48 1HB LEU 7 HB2 LEU 7 0.730 3.381 0.707 49 2HB LEU 7 HB1 LEU 7 2.061 2.997 1.790 50 HG LEU 7 HG LEU 7 0.589 2.726 3.643 51 1HD1 LEU 7 HD13 LEU 7 -1.438 4.025 1.838 52 2HD1 LEU 7 HD12 LEU 7 -1.922 3.092 3.255 53 3HD1 LEU 7 HD11 LEU 7 -0.918 4.521 3.442 54 1HD2 LEU 7 HD21 LEU 7 -0.345 1.475 1.073 55 2HD2 LEU 7 HD23 LEU 7 0.452 0.712 2.448 56 3HD2 LEU 7 HD22 LEU 7 -1.248 1.170 2.557 57 H ALA 8 HN ALA 8 2.631 5.172 4.138 58 HA ALA 8 HA ALA 8 5.149 5.951 2.675 59 1HB ALA 8 HB2 ALA 8 3.817 6.832 5.222 60 2HB ALA 8 HB1 ALA 8 5.578 6.899 5.129 61 3HB ALA 8 HB3 ALA 8 4.598 7.812 3.981 62 H VAL 9 HN VAL 9 6.124 3.869 2.547 63 HA VAL 9 HA VAL 9 6.220 2.308 5.095 64 HB VAL 9 HB VAL 9 5.155 1.208 3.225 65 1HG1 VAL 9 HG12 VAL 9 7.710 1.873 1.734 66 2HG1 VAL 9 HG11 VAL 9 6.496 0.740 1.145 67 3HG1 VAL 9 HG13 VAL 9 6.083 2.439 1.363 68 1HG2 VAL 9 HG21 VAL 9 7.439 0.222 4.581 69 2HG2 VAL 9 HG23 VAL 9 6.130 -0.714 3.860 70 3HG2 VAL 9 HG22 VAL 9 7.567 -0.331 2.911 71 HA PRO 10 HA PRO 10 10.582 3.832 4.603 72 1HB PRO 10 HB2 PRO 10 10.769 4.015 7.421 73 2HB PRO 10 HB1 PRO 10 10.549 5.353 6.289 74 1HG PRO 10 HG2 PRO 10 8.617 4.186 8.139 75 2HG PRO 10 HG1 PRO 10 8.507 5.689 7.216 76 1HD PRO 10 HD2 PRO 10 7.094 3.265 6.705 77 2HD PRO 10 HD1 PRO 10 7.151 4.715 5.673 78 H GLY 11 HN GLY 11 8.948 1.152 5.893 79 1HA GLY 11 HA2 GLY 11 10.674 -0.279 7.491 80 2HA GLY 11 HA1 GLY 11 9.747 -1.051 6.202 81 H MET 12 HN MET 12 11.079 0.470 4.085 82 HA MET 12 HA MET 12 13.911 -0.413 4.272 83 1HB MET 12 HB2 MET 12 11.833 -1.359 2.275 84 2HB MET 12 HB1 MET 12 13.566 -1.609 2.062 85 1HG MET 12 HG2 MET 12 11.910 -2.599 4.403 86 2HG MET 12 HG1 MET 12 12.531 -3.593 3.086 87 1HE MET 12 HE1 MET 12 15.063 -2.699 2.314 88 2HE MET 12 HE3 MET 12 16.340 -3.267 3.399 89 3HE MET 12 HE2 MET 12 15.083 -4.375 2.857 90 H THR 13 HN THR 13 14.479 -0.001 1.509 91 HA THR 13 HA THR 13 13.362 2.411 0.439 92 HB THR 13 HB THR 13 14.208 3.480 2.408 93 HG1 THR 13 HG1 THR 13 15.987 4.715 1.490 94 1HG2 THR 13 HG23 THR 13 16.335 1.494 2.096 95 2HG2 THR 13 HG22 THR 13 16.951 3.099 2.492 96 3HG2 THR 13 HG21 THR 13 15.774 2.320 3.549 97 H CYS 14 HN CYS 14 13.835 0.568 -1.227 98 HA CYS 14 HA CYS 14 16.096 1.395 -2.837 99 1HB CYS 14 HB2 CYS 14 17.677 -0.086 -2.148 100 2HB CYS 14 HB1 CYS 14 16.652 -0.366 -0.749 101 H ALA 15 HN ALA 15 16.322 -0.467 -4.690 102 HA ALA 15 HA ALA 15 13.634 -0.715 -5.814 103 1HB ALA 15 HB2 ALA 15 16.204 -0.452 -6.757 104 2HB ALA 15 HB1 ALA 15 15.889 -2.161 -7.056 105 3HB ALA 15 HB3 ALA 15 14.828 -0.934 -7.748 106 H ALA 16 HN ALA 16 12.919 -2.172 -3.886 107 HA ALA 16 HA ALA 16 12.725 -4.889 -4.754 108 1HB ALA 16 HB3 ALA 16 15.210 -4.323 -3.847 109 2HB ALA 16 HB2 ALA 16 14.443 -4.810 -2.335 110 3HB ALA 16 HB1 ALA 16 14.479 -5.922 -3.705 111 H CYS 17 HN CYS 17 13.019 -3.059 -1.655 112 HA CYS 17 HA CYS 17 10.847 -4.664 -0.487 113 1HB CYS 17 HB2 CYS 17 12.244 -2.254 0.675 114 2HB CYS 17 HB1 CYS 17 11.469 -3.575 1.543 115 HA PRO 18 HA PRO 18 8.713 -0.330 -0.438 116 1HB PRO 18 HB2 PRO 18 9.565 1.156 -2.705 117 2HB PRO 18 HB1 PRO 18 9.869 1.534 -1.009 118 1HG PRO 18 HG2 PRO 18 11.734 0.554 -3.001 119 2HG PRO 18 HG1 PRO 18 12.066 1.120 -1.363 120 1HD PRO 18 HD2 PRO 18 12.139 -1.572 -2.315 121 2HD PRO 18 HD1 PRO 18 12.338 -1.026 -0.634 122 H ILE 19 HN ILE 19 9.824 -1.471 -3.635 123 HA ILE 19 HA ILE 19 7.293 -1.237 -4.972 124 HB ILE 19 HB ILE 19 9.740 -2.986 -5.370 125 1HG1 ILE 19 HG12 ILE 19 8.761 -0.368 -6.536 126 2HG1 ILE 19 HG11 ILE 19 10.268 -0.671 -5.672 127 1HG2 ILE 19 HG23 ILE 19 7.334 -3.621 -6.423 128 2HG2 ILE 19 HG22 ILE 19 7.868 -2.440 -7.618 129 3HG2 ILE 19 HG21 ILE 19 8.848 -3.870 -7.291 130 1HD1 ILE 19 HD13 ILE 19 10.921 -2.245 -7.540 131 2HD1 ILE 19 HD12 ILE 19 9.504 -1.679 -8.425 132 3HD1 ILE 19 HD11 ILE 19 10.800 -0.553 -8.022 133 H THR 20 HN THR 20 8.598 -3.648 -2.749 134 HA THR 20 HA THR 20 6.865 -5.840 -3.415 135 HB THR 20 HB THR 20 8.137 -4.967 -0.786 136 HG1 THR 20 HG1 THR 20 8.945 -6.623 -2.933 137 1HG2 THR 20 HG21 THR 20 6.273 -6.570 -0.494 138 2HG2 THR 20 HG23 THR 20 7.043 -7.661 -1.645 139 3HG2 THR 20 HG22 THR 20 7.829 -7.303 -0.106 140 H VAL 21 HN VAL 21 6.463 -2.842 -1.744 141 HA VAL 21 HA VAL 21 4.091 -3.527 -0.272 142 HB VAL 21 HB VAL 21 5.121 -0.861 -1.297 143 1HG1 VAL 21 HG11 VAL 21 2.838 -1.661 0.322 144 2HG1 VAL 21 HG13 VAL 21 3.902 -0.567 1.206 145 3HG1 VAL 21 HG12 VAL 21 3.228 -0.078 -0.349 146 1HG2 VAL 21 HG22 VAL 21 6.156 -2.716 0.681 147 2HG2 VAL 21 HG21 VAL 21 6.861 -1.207 0.101 148 3HG2 VAL 21 HG23 VAL 21 5.710 -1.187 1.437 149 H LYS 22 HN LYS 22 4.832 -2.351 -3.510 150 HA LYS 22 HA LYS 22 2.180 -1.610 -4.282 151 1HB LYS 22 HB2 LYS 22 3.939 -0.895 -5.685 152 2HB LYS 22 HB1 LYS 22 4.714 -2.476 -5.673 153 1HG LYS 22 HG2 LYS 22 3.502 -3.191 -7.441 154 2HG LYS 22 HG1 LYS 22 2.000 -2.570 -6.756 155 1HD LYS 22 HD2 LYS 22 2.801 -0.246 -7.445 156 2HD LYS 22 HD1 LYS 22 4.058 -1.061 -8.378 157 1HE LYS 22 HE2 LYS 22 1.922 -2.466 -9.244 158 2HE LYS 22 HE1 LYS 22 1.127 -0.920 -8.886 159 1HZ LYS 22 HZ2 LYS 22 3.112 0.124 -10.051 160 2HZ LYS 22 HZ1 LYS 22 3.435 -1.426 -10.669 161 3HZ LYS 22 HZ3 LYS 22 1.970 -0.655 -11.039 162 H LYS 23 HN LYS 23 4.022 -4.617 -4.300 163 HA LYS 23 HA LYS 23 2.034 -6.190 -5.635 164 1HB LYS 23 HB2 LYS 23 4.450 -6.660 -3.927 165 2HB LYS 23 HB1 LYS 23 3.414 -8.028 -4.333 166 1HG LYS 23 HG2 LYS 23 5.364 -7.572 -5.933 167 2HG LYS 23 HG1 LYS 23 3.770 -7.738 -6.671 168 1HD LYS 23 HD2 LYS 23 3.529 -5.360 -6.891 169 2HD LYS 23 HD1 LYS 23 4.945 -5.061 -5.883 170 1HE LYS 23 HE2 LYS 23 6.044 -4.895 -7.887 171 2HE LYS 23 HE1 LYS 23 5.993 -6.669 -7.866 172 1HZ LYS 23 HZ1 LYS 23 3.577 -6.234 -8.739 173 2HZ LYS 23 HZ3 LYS 23 4.255 -4.779 -9.286 174 3HZ LYS 23 HZ2 LYS 23 4.892 -6.263 -9.813 175 H ALA 24 HN ALA 24 2.616 -5.274 -2.339 176 HA ALA 24 HA ALA 24 0.903 -7.092 -0.992 177 1HB ALA 24 HB2 ALA 24 2.665 -5.114 -0.344 178 2HB ALA 24 HB1 ALA 24 1.133 -4.326 0.032 179 3HB ALA 24 HB3 ALA 24 1.557 -5.849 0.813 180 H LEU 25 HN LEU 25 0.276 -3.724 -2.083 181 HA LEU 25 HA LEU 25 -2.537 -3.807 -1.381 182 1HB LEU 25 HB2 LEU 25 -1.277 -2.045 -3.486 183 2HB LEU 25 HB1 LEU 25 -2.581 -1.651 -2.370 184 HG LEU 25 HG LEU 25 -0.313 -2.404 -0.814 185 1HD1 LEU 25 HD13 LEU 25 0.802 -1.772 -3.070 186 2HD1 LEU 25 HD12 LEU 25 0.345 -0.119 -2.665 187 3HD1 LEU 25 HD11 LEU 25 1.423 -1.022 -1.601 188 1HD2 LEU 25 HD21 LEU 25 -2.345 -0.561 -0.752 189 2HD2 LEU 25 HD23 LEU 25 -0.961 -0.548 0.340 190 3HD2 LEU 25 HD22 LEU 25 -0.954 0.464 -1.104 191 H SER 26 HN SER 26 -0.656 -4.710 -4.189 192 HA SER 26 HA SER 26 -2.789 -4.796 -6.114 193 1HB SER 26 HB2 SER 26 0.009 -5.705 -5.796 194 2HB SER 26 HB1 SER 26 -0.955 -6.681 -6.903 195 HG SER 26 HG SER 26 -1.600 -4.570 -7.818 196 H LYS 27 HN LYS 27 -1.733 -6.905 -3.530 197 HA LYS 27 HA LYS 27 -3.875 -8.815 -4.330 198 1HB LYS 27 HB2 LYS 27 -2.397 -10.605 -3.529 199 2HB LYS 27 HB1 LYS 27 -1.557 -9.638 -4.743 200 1HG LYS 27 HG2 LYS 27 0.053 -9.751 -3.060 201 2HG LYS 27 HG1 LYS 27 -0.769 -8.245 -2.653 202 1HD LYS 27 HD2 LYS 27 -1.550 -9.074 -0.715 203 2HD LYS 27 HD1 LYS 27 -2.097 -10.560 -1.491 204 1HE LYS 27 HE2 LYS 27 0.609 -10.934 -1.561 205 2HE LYS 27 HE1 LYS 27 0.432 -10.024 -0.048 206 1HZ LYS 27 HZ2 LYS 27 -1.391 -11.530 0.564 207 2HZ LYS 27 HZ1 LYS 27 -1.098 -12.448 -0.836 208 3HZ LYS 27 HZ3 LYS 27 0.081 -12.358 0.380 209 H VAL 28 HN VAL 28 -3.486 -6.457 -2.281 210 HA VAL 28 HA VAL 28 -3.528 -7.519 0.359 211 HB VAL 28 HB VAL 28 -3.220 -5.150 -0.220 212 1HG1 VAL 28 HG12 VAL 28 -4.993 -5.329 -2.104 213 2HG1 VAL 28 HG11 VAL 28 -6.167 -4.992 -0.832 214 3HG1 VAL 28 HG13 VAL 28 -4.904 -3.819 -1.198 215 1HG2 VAL 28 HG23 VAL 28 -5.440 -6.007 1.592 216 2HG2 VAL 28 HG22 VAL 28 -3.907 -5.229 1.989 217 3HG2 VAL 28 HG21 VAL 28 -5.227 -4.279 1.307 218 H GLU 29 HN GLU 29 -6.270 -6.768 -1.841 219 HA GLU 29 HA GLU 29 -7.868 -8.976 -1.027 220 1HB GLU 29 HB2 GLU 29 -7.752 -6.660 0.765 221 2HB GLU 29 HB1 GLU 29 -9.400 -7.088 0.306 222 1HG GLU 29 HG2 GLU 29 -8.227 -9.548 0.795 223 2HG GLU 29 HG1 GLU 29 -7.526 -8.514 2.039 224 H GLY 30 HN GLY 30 -9.191 -5.707 -1.012 225 1HA GLY 30 HA2 GLY 30 -10.621 -6.356 -3.539 226 2HA GLY 30 HA1 GLY 30 -11.111 -5.131 -2.374 227 H VAL 31 HN VAL 31 -7.788 -4.966 -2.891 228 HA VAL 31 HA VAL 31 -7.580 -2.382 -3.832 229 HB VAL 31 HB VAL 31 -5.711 -3.881 -3.241 230 1HG1 VAL 31 HG13 VAL 31 -6.819 -5.778 -4.678 231 2HG1 VAL 31 HG12 VAL 31 -5.875 -5.078 -5.993 232 3HG1 VAL 31 HG11 VAL 31 -5.062 -5.700 -4.557 233 1HG2 VAL 31 HG23 VAL 31 -5.759 -1.926 -5.236 234 2HG2 VAL 31 HG22 VAL 31 -4.320 -2.557 -4.436 235 3HG2 VAL 31 HG21 VAL 31 -4.858 -3.258 -5.962 236 H SER 32 HN SER 32 -8.159 -1.324 -5.615 237 HA SER 32 HA SER 32 -9.030 -2.889 -8.007 238 1HB SER 32 HB2 SER 32 -10.555 -1.293 -6.571 239 2HB SER 32 HB1 SER 32 -9.710 -0.012 -7.436 240 HG SER 32 HG SER 32 -10.363 -1.025 -9.384 241 H LYS 33 HN LYS 33 -6.763 -0.664 -6.753 242 HA LYS 33 HA LYS 33 -5.338 -0.566 -9.324 243 1HB LYS 33 HB2 LYS 33 -6.673 1.215 -9.931 244 2HB LYS 33 HB1 LYS 33 -7.024 1.655 -8.266 245 1HG LYS 33 HG2 LYS 33 -5.115 2.949 -8.059 246 2HG LYS 33 HG1 LYS 33 -4.217 1.998 -9.244 247 1HD LYS 33 HD2 LYS 33 -6.456 3.153 -10.584 248 2HD LYS 33 HD1 LYS 33 -5.661 4.431 -9.664 249 1HE LYS 33 HE2 LYS 33 -3.543 2.973 -10.782 250 2HE LYS 33 HE1 LYS 33 -4.747 3.097 -12.082 251 1HZ LYS 33 HZ3 LYS 33 -4.991 5.489 -11.414 252 2HZ LYS 33 HZ2 LYS 33 -3.603 5.296 -10.452 253 3HZ LYS 33 HZ1 LYS 33 -3.508 5.097 -12.136 254 H VAL 34 HN VAL 34 -3.175 0.420 -9.033 255 HA VAL 34 HA VAL 34 -2.360 1.152 -6.293 256 HB VAL 34 HB VAL 34 -2.449 -1.300 -6.276 257 1HG1 VAL 34 HG12 VAL 34 -0.853 -0.946 -8.801 258 2HG1 VAL 34 HG11 VAL 34 -0.695 -2.424 -7.854 259 3HG1 VAL 34 HG13 VAL 34 -2.263 -1.965 -8.517 260 1HG2 VAL 34 HG23 VAL 34 0.015 0.249 -5.971 261 2HG2 VAL 34 HG22 VAL 34 -0.659 -0.996 -4.920 262 3HG2 VAL 34 HG21 VAL 34 0.332 -1.453 -6.305 263 H ASP 35 HN ASP 35 -0.283 2.113 -6.244 264 HA ASP 35 HA ASP 35 1.523 2.138 -8.520 265 1HB ASP 35 HB2 ASP 35 1.104 4.506 -9.123 266 2HB ASP 35 HB1 ASP 35 -0.356 3.543 -9.347 267 H VAL 36 HN VAL 36 3.168 1.800 -6.941 268 HA VAL 36 HA VAL 36 3.354 3.823 -4.746 269 HB VAL 36 HB VAL 36 4.434 2.126 -3.504 270 1HG1 VAL 36 HG13 VAL 36 2.480 0.724 -5.352 271 2HG1 VAL 36 HG12 VAL 36 3.005 0.128 -3.777 272 3HG1 VAL 36 HG11 VAL 36 2.061 1.614 -3.887 273 1HG2 VAL 36 HG21 VAL 36 4.974 0.831 -6.190 274 2HG2 VAL 36 HG23 VAL 36 6.155 1.439 -5.031 275 3HG2 VAL 36 HG22 VAL 36 5.221 -0.007 -4.659 276 H GLY 37 HN GLY 37 6.041 3.264 -4.117 277 1HA GLY 37 HA2 GLY 37 7.638 4.026 -6.485 278 2HA GLY 37 HA1 GLY 37 7.601 5.170 -5.140 279 H PHE 38 HN PHE 38 9.426 2.800 -6.407 280 HA PHE 38 HA PHE 38 10.157 1.005 -4.395 281 1HB PHE 38 HB2 PHE 38 12.144 0.742 -5.724 282 2HB PHE 38 HB1 PHE 38 10.823 1.125 -6.821 283 HD1 PHE 38 HD1 PHE 38 10.841 4.206 -5.893 284 HD2 PHE 38 HD2 PHE 38 13.818 1.465 -7.342 285 HE1 PHE 38 HE1 PHE 38 12.161 6.102 -6.765 286 HE2 PHE 38 HE2 PHE 38 15.140 3.372 -8.212 287 HZ PHE 38 HZ PHE 38 14.311 5.690 -7.925 288 H GLU 39 HN GLU 39 13.108 2.203 -4.576 289 HA GLU 39 HA GLU 39 13.925 2.733 -2.140 290 1HB GLU 39 HB2 GLU 39 14.869 3.346 -4.538 291 2HB GLU 39 HB1 GLU 39 14.415 4.980 -4.052 292 1HG GLU 39 HG2 GLU 39 15.667 4.019 -1.790 293 2HG GLU 39 HG1 GLU 39 16.612 3.288 -3.088 294 H LYS 40 HN LYS 40 11.787 5.101 -3.782 295 HA LYS 40 HA LYS 40 11.854 6.943 -1.499 296 1HB LYS 40 HB2 LYS 40 11.481 7.293 -4.091 297 2HB LYS 40 HB1 LYS 40 9.794 6.974 -3.682 298 1HG LYS 40 HG2 LYS 40 10.189 8.722 -1.778 299 2HG LYS 40 HG1 LYS 40 11.568 9.221 -2.758 300 1HD LYS 40 HD2 LYS 40 10.130 10.470 -3.965 301 2HD LYS 40 HD1 LYS 40 9.468 8.959 -4.590 302 1HE LYS 40 HE2 LYS 40 7.724 8.923 -2.970 303 2HE LYS 40 HE1 LYS 40 8.532 10.141 -1.962 304 1HZ LYS 40 HZ3 LYS 40 8.428 11.504 -4.178 305 2HZ LYS 40 HZ2 LYS 40 7.109 10.482 -4.507 306 3HZ LYS 40 HZ1 LYS 40 7.098 11.470 -3.125 307 H ARG 41 HN ARG 41 10.909 4.175 -0.942 308 HA ARG 41 HA ARG 41 8.784 3.043 -0.381 309 1HB ARG 41 HB2 ARG 41 8.753 3.535 2.028 310 2HB ARG 41 HB1 ARG 41 10.410 3.465 1.426 311 1HG ARG 41 HG2 ARG 41 10.765 5.574 2.122 312 2HG ARG 41 HG1 ARG 41 9.447 6.139 1.095 313 1HD ARG 41 HD2 ARG 41 8.042 6.376 2.869 314 2HD ARG 41 HD1 ARG 41 8.504 4.797 3.542 315 HE ARG 41 HE ARG 41 10.762 6.384 3.899 316 1HH1 ARG 41 HH21 ARG 41 7.413 6.584 4.722 317 2HH1 ARG 41 HH22 ARG 41 7.693 7.474 6.180 318 1HH2 ARG 41 HH11 ARG 41 11.138 7.540 5.798 319 2HH2 ARG 41 HH12 ARG 41 9.799 8.015 6.789 320 H GLU 42 HN GLU 42 7.056 3.945 -1.757 321 HA GLU 42 HA GLU 42 5.172 5.585 -0.163 322 1HB GLU 42 HB2 GLU 42 6.831 7.072 -1.472 323 2HB GLU 42 HB1 GLU 42 5.998 6.512 -2.923 324 1HG GLU 42 HG2 GLU 42 4.534 7.732 -0.573 325 2HG GLU 42 HG1 GLU 42 5.130 8.694 -1.926 326 H ALA 43 HN ALA 43 3.388 4.196 -0.367 327 HA ALA 43 HA ALA 43 2.839 3.136 -3.111 328 1HB ALA 43 HB2 ALA 43 2.393 2.124 -0.313 329 2HB ALA 43 HB1 ALA 43 1.477 1.456 -1.664 330 3HB ALA 43 HB3 ALA 43 3.237 1.338 -1.648 331 H VAL 44 HN VAL 44 1.188 4.190 -4.100 332 HA VAL 44 HA VAL 44 -1.027 5.296 -2.418 333 HB VAL 44 HB VAL 44 0.362 6.057 -4.958 334 1HG1 VAL 44 HG12 VAL 44 -2.034 5.695 -5.609 335 2HG1 VAL 44 HG11 VAL 44 -2.504 6.859 -4.371 336 3HG1 VAL 44 HG13 VAL 44 -1.528 7.379 -5.745 337 1HG2 VAL 44 HG23 VAL 44 0.233 7.087 -2.415 338 2HG2 VAL 44 HG22 VAL 44 0.709 8.005 -3.843 339 3HG2 VAL 44 HG21 VAL 44 -0.955 8.077 -3.265 340 H VAL 45 HN VAL 45 -2.860 4.017 -2.483 341 HA VAL 45 HA VAL 45 -3.343 2.516 -5.040 342 HB VAL 45 HB VAL 45 -3.400 1.425 -2.215 343 1HG1 VAL 45 HG12 VAL 45 -4.917 0.518 -4.258 344 2HG1 VAL 45 HG11 VAL 45 -3.417 -0.339 -4.610 345 3HG1 VAL 45 HG13 VAL 45 -4.209 -0.553 -3.049 346 1HG2 VAL 45 HG23 VAL 45 -1.465 1.032 -4.518 347 2HG2 VAL 45 HG22 VAL 45 -1.119 1.824 -2.980 348 3HG2 VAL 45 HG21 VAL 45 -1.449 0.092 -3.027 349 H THR 46 HN THR 46 -5.456 1.934 -5.458 350 HA THR 46 HA THR 46 -7.600 3.297 -3.859 351 HB THR 46 HB THR 46 -7.105 2.670 -6.768 352 HG1 THR 46 HG1 THR 46 -7.253 4.780 -6.932 353 1HG2 THR 46 HG22 THR 46 -9.324 1.717 -6.261 354 2HG2 THR 46 HG21 THR 46 -9.817 3.246 -5.535 355 3HG2 THR 46 HG23 THR 46 -9.474 3.160 -7.263 356 H PHE 47 HN PHE 47 -9.667 1.950 -3.780 357 HA PHE 47 HA PHE 47 -9.581 -0.829 -4.553 358 1HB PHE 47 HB2 PHE 47 -9.266 -1.763 -2.309 359 2HB PHE 47 HB1 PHE 47 -7.889 -0.738 -2.721 360 HD1 PHE 47 HD2 PHE 47 -11.003 -0.968 -0.709 361 HD2 PHE 47 HD1 PHE 47 -7.521 1.394 -1.632 362 HE1 PHE 47 HE2 PHE 47 -11.445 0.465 1.257 363 HE2 PHE 47 HE1 PHE 47 -7.972 2.818 0.343 364 HZ PHE 47 HZ PHE 47 -9.927 2.351 1.785 365 H ASP 48 HN ASP 48 -11.296 -2.038 -3.077 366 HA ASP 48 HA ASP 48 -13.658 -0.225 -2.944 367 1HB ASP 48 HB2 ASP 48 -13.204 -3.163 -3.480 368 2HB ASP 48 HB1 ASP 48 -14.796 -2.588 -2.982 369 H ASP 49 HN ASP 49 -14.237 0.292 -0.874 370 HA ASP 49 HA ASP 49 -12.885 -0.835 1.387 371 1HB ASP 49 HB2 ASP 49 -14.101 0.759 2.581 372 2HB ASP 49 HB1 ASP 49 -14.153 1.429 0.954 373 H THR 50 HN THR 50 -15.296 -2.236 -0.487 374 HA THR 50 HA THR 50 -16.842 -3.551 1.602 375 HB THR 50 HB THR 50 -17.592 -4.907 -0.412 376 HG1 THR 50 HG1 THR 50 -16.415 -4.805 -2.126 377 1HG2 THR 50 HG22 THR 50 -17.738 -1.964 -0.105 378 2HG2 THR 50 HG21 THR 50 -18.218 -2.592 -1.681 379 3HG2 THR 50 HG23 THR 50 -19.037 -3.151 -0.223 380 H LYS 51 HN LYS 51 -13.862 -4.228 -0.140 381 HA LYS 51 HA LYS 51 -13.657 -6.832 1.337 382 1HB LYS 51 HB2 LYS 51 -13.281 -6.057 -1.502 383 2HB LYS 51 HB1 LYS 51 -12.069 -7.160 -0.849 384 1HG LYS 51 HG2 LYS 51 -14.779 -7.905 -0.050 385 2HG LYS 51 HG1 LYS 51 -14.579 -7.888 -1.802 386 1HD LYS 51 HD2 LYS 51 -12.694 -9.297 0.109 387 2HD LYS 51 HD1 LYS 51 -13.999 -10.098 -0.767 388 1HE LYS 51 HE2 LYS 51 -12.974 -9.720 -2.874 389 2HE LYS 51 HE1 LYS 51 -11.892 -8.477 -2.216 390 1HZ LYS 51 HZ3 LYS 51 -11.301 -10.496 -0.618 391 2HZ LYS 51 HZ2 LYS 51 -11.726 -11.380 -2.005 392 3HZ LYS 51 HZ1 LYS 51 -10.481 -10.225 -2.078 393 H ALA 52 HN ALA 52 -12.358 -3.756 0.917 394 HA ALA 52 HA ALA 52 -9.870 -4.546 2.356 395 1HB ALA 52 HB2 ALA 52 -10.132 -3.581 -0.425 396 2HB ALA 52 HB1 ALA 52 -8.930 -2.720 0.537 397 3HB ALA 52 HB3 ALA 52 -8.810 -4.467 0.335 398 H SER 53 HN SER 53 -8.610 -2.139 2.447 399 HA SER 53 HA SER 53 -10.307 0.146 2.855 400 1HB SER 53 HB2 SER 53 -11.230 -1.271 4.609 401 2HB SER 53 HB1 SER 53 -9.617 -1.598 5.235 402 HG SER 53 HG SER 53 -10.860 0.102 6.320 403 H VAL 54 HN VAL 54 -9.065 1.956 3.574 404 HA VAL 54 HA VAL 54 -6.410 2.225 2.903 405 HB VAL 54 HB VAL 54 -7.827 4.084 3.572 406 1HG1 VAL 54 HG12 VAL 54 -8.797 2.465 5.494 407 2HG1 VAL 54 HG11 VAL 54 -7.668 3.405 6.469 408 3HG1 VAL 54 HG13 VAL 54 -8.950 4.220 5.573 409 1HG2 VAL 54 HG23 VAL 54 -5.192 3.748 4.420 410 2HG2 VAL 54 HG22 VAL 54 -6.073 5.274 4.351 411 3HG2 VAL 54 HG21 VAL 54 -6.027 4.350 5.852 412 H GLN 55 HN GLN 55 -7.695 1.014 5.985 413 HA GLN 55 HA GLN 55 -5.154 0.713 7.305 414 1HB GLN 55 HB2 GLN 55 -7.759 0.544 8.010 415 2HB GLN 55 HB1 GLN 55 -7.405 -1.175 7.827 416 1HG GLN 55 HG2 GLN 55 -6.202 -1.216 9.734 417 2HG GLN 55 HG1 GLN 55 -5.274 0.204 9.249 418 1HE2 GLN 55 HE22 GLN 55 -7.378 1.025 12.277 419 2HE2 GLN 55 HE21 GLN 55 -6.243 -0.195 11.952 420 H LYS 56 HN LYS 56 -7.200 -1.529 5.409 421 HA LYS 56 HA LYS 56 -5.529 -3.821 5.587 422 1HB LYS 56 HB2 LYS 56 -7.808 -2.815 4.056 423 2HB LYS 56 HB1 LYS 56 -6.780 -3.879 3.096 424 1HG LYS 56 HG2 LYS 56 -7.523 -5.692 4.202 425 2HG LYS 56 HG1 LYS 56 -7.117 -4.961 5.755 426 1HD LYS 56 HD2 LYS 56 -9.323 -3.531 5.189 427 2HD LYS 56 HD1 LYS 56 -9.717 -5.005 4.304 428 1HE LYS 56 HE2 LYS 56 -10.060 -6.190 6.220 429 2HE LYS 56 HE1 LYS 56 -8.624 -5.498 7.001 430 1HZ LYS 56 HZ1 LYS 56 -10.765 -3.622 6.465 431 2HZ LYS 56 HZ3 LYS 56 -11.134 -4.801 7.627 432 3HZ LYS 56 HZ2 LYS 56 -9.787 -3.790 7.845 433 H LEU 57 HN LEU 57 -5.184 -0.882 3.657 434 HA LEU 57 HA LEU 57 -3.362 -2.059 1.699 435 1HB LEU 57 HB2 LEU 57 -3.666 0.823 2.600 436 2HB LEU 57 HB1 LEU 57 -3.065 0.257 1.043 437 HG LEU 57 HG LEU 57 -5.873 -0.291 2.051 438 1HD1 LEU 57 HD11 LEU 57 -4.918 2.168 1.401 439 2HD1 LEU 57 HD13 LEU 57 -5.425 1.586 -0.183 440 3HD1 LEU 57 HD12 LEU 57 -6.584 1.664 1.143 441 1HD2 LEU 57 HD23 LEU 57 -4.383 -0.749 -0.529 442 2HD2 LEU 57 HD22 LEU 57 -5.360 -1.889 0.396 443 3HD2 LEU 57 HD21 LEU 57 -6.140 -0.597 -0.516 444 H THR 58 HN THR 58 -2.954 0.065 4.533 445 HA THR 58 HA THR 58 -0.090 -0.015 4.629 446 HB THR 58 HB THR 58 -1.889 0.224 7.031 447 HG1 THR 58 HG1 THR 58 -3.043 1.525 5.834 448 1HG2 THR 58 HG21 THR 58 0.589 1.636 6.026 449 2HG2 THR 58 HG23 THR 58 -0.324 2.173 7.435 450 3HG2 THR 58 HG22 THR 58 0.450 0.588 7.437 451 H LYS 59 HN LYS 59 -2.584 -2.258 5.454 452 HA LYS 59 HA LYS 59 -0.986 -3.820 7.355 453 1HB LYS 59 HB2 LYS 59 -3.685 -3.511 6.620 454 2HB LYS 59 HB1 LYS 59 -3.266 -5.150 6.123 455 1HG LYS 59 HG2 LYS 59 -3.638 -5.713 8.285 456 2HG LYS 59 HG1 LYS 59 -2.074 -4.961 8.604 457 1HD LYS 59 HD2 LYS 59 -4.546 -3.256 8.495 458 2HD LYS 59 HD1 LYS 59 -4.179 -4.170 9.959 459 1HE LYS 59 HE2 LYS 59 -1.733 -3.062 9.426 460 2HE LYS 59 HE1 LYS 59 -2.825 -1.785 8.854 461 1HZ LYS 59 HZ1 LYS 59 -3.463 -3.151 11.368 462 2HZ LYS 59 HZ3 LYS 59 -2.228 -1.989 11.387 463 3HZ LYS 59 HZ2 LYS 59 -3.794 -1.553 10.893 464 H ALA 60 HN ALA 60 -1.640 -3.727 3.905 465 HA ALA 60 HA ALA 60 -0.691 -6.409 3.324 466 1HB ALA 60 HB2 ALA 60 -1.905 -4.245 1.992 467 2HB ALA 60 HB1 ALA 60 -0.343 -4.445 1.198 468 3HB ALA 60 HB3 ALA 60 -1.471 -5.799 1.279 469 H THR 61 HN THR 61 0.812 -3.169 3.361 470 HA THR 61 HA THR 61 3.451 -4.199 2.564 471 HB THR 61 HB THR 61 2.573 -1.869 2.203 472 HG1 THR 61 HG1 THR 61 4.911 -2.583 2.641 473 1HG2 THR 61 HG22 THR 61 1.436 -1.724 4.432 474 2HG2 THR 61 HG21 THR 61 3.026 -1.578 5.181 475 3HG2 THR 61 HG23 THR 61 2.454 -0.330 4.073 476 H ALA 62 HN ALA 62 1.753 -3.294 5.532 477 HA ALA 62 HA ALA 62 3.897 -3.680 7.372 478 1HB ALA 62 HB2 ALA 62 0.886 -3.769 7.439 479 2HB ALA 62 HB1 ALA 62 1.795 -4.246 8.874 480 3HB ALA 62 HB3 ALA 62 1.973 -2.619 8.217 481 H ASP 63 HN ASP 63 1.803 -5.835 5.593 482 HA ASP 63 HA ASP 63 2.637 -8.199 7.163 483 1HB ASP 63 HB2 ASP 63 0.723 -7.576 4.917 484 2HB ASP 63 HB1 ASP 63 1.149 -9.250 5.269 485 H ALA 64 HN ALA 64 3.530 -6.436 4.313 486 HA ALA 64 HA ALA 64 4.843 -8.630 2.924 487 1HB ALA 64 HB2 ALA 64 4.105 -5.975 2.438 488 2HB ALA 64 HB1 ALA 64 5.868 -5.924 2.466 489 3HB ALA 64 HB3 ALA 64 5.035 -7.000 1.344 490 H GLY 65 HN GLY 65 5.529 -6.614 5.625 491 1HA GLY 65 HA2 GLY 65 7.371 -7.321 7.121 492 2HA GLY 65 HA1 GLY 65 8.319 -7.655 5.673 493 H TYR 66 HN TYR 66 6.276 -4.833 5.894 494 HA TYR 66 HA TYR 66 8.704 -3.136 6.342 495 1HB TYR 66 HB2 TYR 66 6.608 -2.751 4.183 496 2HB TYR 66 HB1 TYR 66 8.081 -1.807 4.405 497 HD1 TYR 66 HD1 TYR 66 10.150 -3.676 4.936 498 HD2 TYR 66 HD2 TYR 66 6.821 -4.094 2.243 499 HE1 TYR 66 HE1 TYR 66 11.444 -5.309 3.585 500 HE2 TYR 66 HE2 TYR 66 8.116 -5.727 0.906 501 HH TYR 66 HH TYR 66 10.047 -6.782 0.651 502 HA PRO 67 HA PRO 67 5.465 -1.658 9.205 503 1HB PRO 67 HB2 PRO 67 7.547 0.028 10.293 504 2HB PRO 67 HB1 PRO 67 6.781 -1.380 11.035 505 1HG PRO 67 HG2 PRO 67 9.436 -1.190 9.984 506 2HG PRO 67 HG1 PRO 67 8.649 -2.607 10.685 507 1HD PRO 67 HD2 PRO 67 9.313 -2.144 7.917 508 2HD PRO 67 HD1 PRO 67 8.506 -3.566 8.623 509 H SER 68 HN SER 68 4.358 -0.438 7.577 510 HA SER 68 HA SER 68 5.557 2.203 6.846 511 1HB SER 68 HB2 SER 68 4.917 0.471 5.115 512 2HB SER 68 HB1 SER 68 3.242 0.685 5.612 513 HG SER 68 HG SER 68 3.268 2.272 4.241 514 H SER 69 HN SER 69 3.363 3.611 6.125 515 HA SER 69 HA SER 69 1.449 3.632 8.400 516 1HB SER 69 HB2 SER 69 2.027 6.285 8.089 517 2HB SER 69 HB1 SER 69 2.817 5.256 9.280 518 HG SER 69 HG SER 69 3.845 6.466 7.103 519 H VAL 70 HN VAL 70 -0.234 5.536 7.780 520 HA VAL 70 HA VAL 70 -0.592 5.517 4.823 521 HB VAL 70 HB VAL 70 -1.731 3.700 6.151 522 1HG1 VAL 70 HG13 VAL 70 -2.386 5.762 7.837 523 2HG1 VAL 70 HG12 VAL 70 -3.881 5.561 6.925 524 3HG1 VAL 70 HG11 VAL 70 -3.200 4.198 7.813 525 1HG2 VAL 70 HG21 VAL 70 -2.563 5.147 3.943 526 2HG2 VAL 70 HG23 VAL 70 -3.309 3.650 4.505 527 3HG2 VAL 70 HG22 VAL 70 -3.973 5.209 4.994 528 H LYS 71 HN LYS 71 -1.708 7.287 3.948 529 HA LYS 71 HA LYS 71 -2.603 9.383 5.877 530 1HB LYS 71 HB2 LYS 71 -0.399 10.008 5.233 531 2HB LYS 71 HB1 LYS 71 -0.671 9.518 3.558 532 1HG LYS 71 HG2 LYS 71 -2.683 11.400 4.181 533 2HG LYS 71 HG1 LYS 71 -1.166 12.060 4.784 534 1HD LYS 71 HD2 LYS 71 -0.206 11.294 2.483 535 2HD LYS 71 HD1 LYS 71 -1.896 11.282 1.978 536 1HE LYS 71 HE2 LYS 71 -1.799 13.698 3.229 537 2HE LYS 71 HE1 LYS 71 -0.139 13.591 2.611 538 1HZ LYS 71 HZ3 LYS 71 -2.407 12.807 0.902 539 2HZ LYS 71 HZ2 LYS 71 -1.994 14.448 1.050 540 3HZ LYS 71 HZ1 LYS 71 -0.861 13.335 0.448 541 H GLN 72 HN GLN 72 -4.720 8.392 5.165 542 HA GLN 72 HA GLN 72 -5.696 8.394 2.497 543 1HB GLN 72 HB2 GLN 72 -7.931 8.593 3.754 544 2HB GLN 72 HB1 GLN 72 -6.881 7.259 4.239 545 1HG GLN 72 HG2 GLN 72 -6.454 8.168 6.289 546 2HG GLN 72 HG1 GLN 72 -6.421 9.816 5.661 547 1HE2 GLN 72 HE22 GLN 72 -10.054 8.202 6.734 548 2HE2 GLN 72 HE21 GLN 72 -8.789 7.162 6.288 No H/Q in entry = 548 Start of MODEL 4 1 1H ALA 1 HT1 ALA 1 17.575 3.303 0.369 2 2H ALA 1 HT3 ALA 1 18.558 2.026 0.898 3 3H ALA 1 HT2 ALA 1 18.652 2.557 -0.713 4 HA ALA 1 HA ALA 1 16.513 1.699 -1.233 5 1HB ALA 1 HB1 ALA 1 18.146 -0.154 0.526 6 2HB ALA 1 HB3 ALA 1 16.977 -0.676 -0.687 7 3HB ALA 1 HB2 ALA 1 18.442 0.173 -1.182 8 H THR 2 HN THR 2 15.570 3.289 0.738 9 HA THR 2 HA THR 2 13.682 1.606 2.175 10 HB THR 2 HB THR 2 14.523 3.343 4.121 11 HG1 THR 2 HG1 THR 2 16.540 3.793 3.840 12 1HG2 THR 2 HG21 THR 2 14.392 0.580 3.699 13 2HG2 THR 2 HG23 THR 2 16.043 0.882 4.243 14 3HG2 THR 2 HG22 THR 2 14.679 1.396 5.236 15 H GLN 3 HN GLN 3 12.145 2.729 0.866 16 HA GLN 3 HA GLN 3 12.072 5.709 1.214 17 1HB GLN 3 HB2 GLN 3 10.666 4.101 -0.917 18 2HB GLN 3 HB1 GLN 3 11.142 5.798 -0.962 19 1HG GLN 3 HG2 GLN 3 13.520 4.357 -0.496 20 2HG GLN 3 HG1 GLN 3 12.660 3.467 -1.752 21 1HE2 GLN 3 HE22 GLN 3 14.686 6.236 -3.320 22 2HE2 GLN 3 HE21 GLN 3 15.080 4.951 -2.283 23 H THR 4 HN THR 4 9.593 6.351 0.524 24 HA THR 4 HA THR 4 7.613 4.708 1.985 25 HB THR 4 HB THR 4 8.229 7.581 2.758 26 HG1 THR 4 HG1 THR 4 9.531 6.827 4.262 27 1HG2 THR 4 HG22 THR 4 6.198 5.584 3.484 28 2HG2 THR 4 HG21 THR 4 6.993 6.327 4.872 29 3HG2 THR 4 HG23 THR 4 6.173 7.336 3.681 30 H VAL 5 HN VAL 5 5.416 5.475 1.525 31 HA VAL 5 HA VAL 5 4.910 7.753 -0.227 32 HB VAL 5 HB VAL 5 5.858 6.552 -1.961 33 1HG1 VAL 5 HG13 VAL 5 5.093 4.212 -0.325 34 2HG1 VAL 5 HG12 VAL 5 5.060 3.958 -2.070 35 3HG1 VAL 5 HG11 VAL 5 6.545 4.491 -1.286 36 1HG2 VAL 5 HG23 VAL 5 2.989 5.595 -1.875 37 2HG2 VAL 5 HG22 VAL 5 3.571 7.094 -2.601 38 3HG2 VAL 5 HG21 VAL 5 4.027 5.542 -3.297 39 H THR 6 HN THR 6 2.684 7.661 -1.046 40 HA THR 6 HA THR 6 0.890 6.277 0.901 41 HB THR 6 HB THR 6 0.826 8.717 1.014 42 HG1 THR 6 HG1 THR 6 -1.419 8.872 -0.142 43 1HG2 THR 6 HG23 THR 6 0.845 8.412 -1.941 44 2HG2 THR 6 HG22 THR 6 -0.106 9.746 -1.288 45 3HG2 THR 6 HG21 THR 6 1.616 9.633 -0.929 46 H LEU 7 HN LEU 7 -1.251 5.618 -0.146 47 HA LEU 7 HA LEU 7 -0.839 4.980 -3.042 48 1HB LEU 7 HB2 LEU 7 -0.940 3.242 -0.728 49 2HB LEU 7 HB1 LEU 7 -2.225 2.835 -1.863 50 HG LEU 7 HG LEU 7 -0.671 2.560 -3.654 51 1HD1 LEU 7 HD12 LEU 7 1.226 3.908 -1.762 52 2HD1 LEU 7 HD11 LEU 7 1.840 2.896 -3.071 53 3HD1 LEU 7 HD13 LEU 7 0.856 4.308 -3.435 54 1HD2 LEU 7 HD23 LEU 7 -0.637 0.948 -1.414 55 2HD2 LEU 7 HD22 LEU 7 0.147 0.556 -2.944 56 3HD2 LEU 7 HD21 LEU 7 1.075 1.302 -1.645 57 H ALA 8 HN ALA 8 -2.661 4.937 -4.298 58 HA ALA 8 HA ALA 8 -5.196 5.901 -2.995 59 1HB ALA 8 HB2 ALA 8 -3.621 6.766 -5.219 60 2HB ALA 8 HB1 ALA 8 -5.154 6.170 -5.856 61 3HB ALA 8 HB3 ALA 8 -5.142 7.451 -4.644 62 H VAL 9 HN VAL 9 -6.242 3.906 -2.571 63 HA VAL 9 HA VAL 9 -6.469 2.017 -4.890 64 HB VAL 9 HB VAL 9 -5.388 1.076 -2.961 65 1HG1 VAL 9 HG11 VAL 9 -7.737 2.243 -1.453 66 2HG1 VAL 9 HG13 VAL 9 -6.657 1.038 -0.755 67 3HG1 VAL 9 HG12 VAL 9 -6.028 2.613 -1.236 68 1HG2 VAL 9 HG21 VAL 9 -7.275 -0.213 -4.156 69 2HG2 VAL 9 HG23 VAL 9 -6.775 -0.803 -2.572 70 3HG2 VAL 9 HG22 VAL 9 -8.250 0.148 -2.731 71 HA PRO 10 HA PRO 10 -10.716 3.841 -4.393 72 1HB PRO 10 HB2 PRO 10 -11.029 3.675 -7.208 73 2HB PRO 10 HB1 PRO 10 -10.725 5.132 -6.258 74 1HG PRO 10 HG2 PRO 10 -8.916 3.718 -8.040 75 2HG PRO 10 HG1 PRO 10 -8.694 5.282 -7.250 76 1HD PRO 10 HD2 PRO 10 -7.406 2.809 -6.591 77 2HD PRO 10 HD1 PRO 10 -7.285 4.358 -5.721 78 H GLY 11 HN GLY 11 -9.303 0.938 -5.443 79 1HA GLY 11 HA2 GLY 11 -11.208 -0.563 -6.750 80 2HA GLY 11 HA1 GLY 11 -10.231 -1.237 -5.444 81 H MET 12 HN MET 12 -11.212 0.246 -3.286 82 HA MET 12 HA MET 12 -14.145 -0.318 -3.247 83 1HB MET 12 HB2 MET 12 -11.957 -1.372 -1.442 84 2HB MET 12 HB1 MET 12 -13.650 -1.367 -0.947 85 1HG MET 12 HG2 MET 12 -13.143 -2.460 -3.647 86 2HG MET 12 HG1 MET 12 -12.475 -3.412 -2.321 87 1HE MET 12 HE3 MET 12 -15.340 -1.017 -1.767 88 2HE MET 12 HE2 MET 12 -15.714 -1.435 -3.437 89 3HE MET 12 HE1 MET 12 -16.812 -1.921 -2.148 90 H THR 13 HN THR 13 -14.418 0.253 -0.451 91 HA THR 13 HA THR 13 -13.072 2.660 0.351 92 HB THR 13 HB THR 13 -14.135 3.583 -1.627 93 HG1 THR 13 HG1 THR 13 -15.000 5.262 -0.628 94 1HG2 THR 13 HG22 THR 13 -16.017 1.673 -1.307 95 2HG2 THR 13 HG21 THR 13 -16.889 3.059 -0.653 96 3HG2 THR 13 HG23 THR 13 -16.267 3.107 -2.303 97 H CYS 14 HN CYS 14 -13.333 1.163 2.266 98 HA CYS 14 HA CYS 14 -15.381 2.080 4.036 99 1HB CYS 14 HB2 CYS 14 -17.111 0.676 3.604 100 2HB CYS 14 HB1 CYS 14 -16.275 0.274 2.112 101 H ALA 15 HN ALA 15 -15.511 0.269 5.969 102 HA ALA 15 HA ALA 15 -12.718 -0.092 6.790 103 1HB ALA 15 HB1 ALA 15 -15.465 -0.377 7.952 104 2HB ALA 15 HB3 ALA 15 -14.123 -1.170 8.777 105 3HB ALA 15 HB2 ALA 15 -14.101 0.576 8.535 106 H ALA 16 HN ALA 16 -12.430 -1.698 4.836 107 HA ALA 16 HA ALA 16 -12.297 -4.374 5.885 108 1HB ALA 16 HB3 ALA 16 -14.723 -3.476 4.459 109 2HB ALA 16 HB2 ALA 16 -14.070 -5.019 3.911 110 3HB ALA 16 HB1 ALA 16 -14.517 -4.802 5.603 111 H CYS 17 HN CYS 17 -12.661 -2.564 2.786 112 HA CYS 17 HA CYS 17 -10.789 -4.472 1.498 113 1HB CYS 17 HB2 CYS 17 -12.140 -2.061 0.278 114 2HB CYS 17 HB1 CYS 17 -11.566 -3.511 -0.537 115 HA PRO 18 HA PRO 18 -8.385 -0.338 0.933 116 1HB PRO 18 HB2 PRO 18 -8.981 1.380 3.139 117 2HB PRO 18 HB1 PRO 18 -9.329 1.665 1.434 118 1HG PRO 18 HG2 PRO 18 -11.200 1.093 3.527 119 2HG PRO 18 HG1 PRO 18 -11.536 1.377 1.818 120 1HD PRO 18 HD2 PRO 18 -11.637 -1.131 3.271 121 2HD PRO 18 HD1 PRO 18 -12.057 -0.830 1.569 122 H ILE 19 HN ILE 19 -9.353 -1.326 4.186 123 HA ILE 19 HA ILE 19 -6.780 -1.081 5.465 124 HB ILE 19 HB ILE 19 -9.387 -1.644 6.125 125 1HG1 ILE 19 HG12 ILE 19 -6.937 -2.200 7.823 126 2HG1 ILE 19 HG11 ILE 19 -7.671 -0.614 7.578 127 1HG2 ILE 19 HG22 ILE 19 -8.943 -4.048 5.407 128 2HG2 ILE 19 HG21 ILE 19 -7.869 -4.165 6.801 129 3HG2 ILE 19 HG23 ILE 19 -9.587 -3.837 7.036 130 1HD1 ILE 19 HD13 ILE 19 -9.236 -2.960 8.670 131 2HD1 ILE 19 HD12 ILE 19 -8.347 -1.853 9.717 132 3HD1 ILE 19 HD11 ILE 19 -9.667 -1.250 8.716 133 H THR 20 HN THR 20 -8.336 -3.597 3.549 134 HA THR 20 HA THR 20 -6.557 -5.768 4.047 135 HB THR 20 HB THR 20 -8.038 -4.981 1.509 136 HG1 THR 20 HG1 THR 20 -8.817 -6.044 3.964 137 1HG2 THR 20 HG21 THR 20 -6.886 -7.572 2.558 138 2HG2 THR 20 HG23 THR 20 -8.141 -7.542 1.319 139 3HG2 THR 20 HG22 THR 20 -6.576 -6.791 1.008 140 H VAL 21 HN VAL 21 -6.243 -2.806 2.315 141 HA VAL 21 HA VAL 21 -4.092 -3.638 0.567 142 HB VAL 21 HB VAL 21 -4.984 -0.917 1.578 143 1HG1 VAL 21 HG12 VAL 21 -2.759 -1.727 -0.046 144 2HG1 VAL 21 HG11 VAL 21 -3.891 -0.805 -1.036 145 3HG1 VAL 21 HG13 VAL 21 -3.232 -0.101 0.439 146 1HG2 VAL 21 HG21 VAL 21 -5.947 -2.752 -0.568 147 2HG2 VAL 21 HG23 VAL 21 -6.854 -1.607 0.419 148 3HG2 VAL 21 HG22 VAL 21 -5.896 -1.030 -0.943 149 H LYS 22 HN LYS 22 -4.433 -2.190 3.753 150 HA LYS 22 HA LYS 22 -1.712 -1.512 4.229 151 1HB LYS 22 HB2 LYS 22 -2.578 -0.941 6.281 152 2HB LYS 22 HB1 LYS 22 -4.124 -1.271 5.510 153 1HG LYS 22 HG2 LYS 22 -4.198 -2.516 7.521 154 2HG LYS 22 HG1 LYS 22 -3.789 -3.709 6.289 155 1HD LYS 22 HD2 LYS 22 -2.116 -4.221 7.770 156 2HD LYS 22 HD1 LYS 22 -1.304 -2.887 6.952 157 1HE LYS 22 HE2 LYS 22 -1.088 -2.313 9.236 158 2HE LYS 22 HE1 LYS 22 -2.526 -1.396 8.745 159 1HZ LYS 22 HZ3 LYS 22 -2.942 -4.169 9.534 160 2HZ LYS 22 HZ2 LYS 22 -2.550 -3.087 10.784 161 3HZ LYS 22 HZ1 LYS 22 -3.915 -2.809 9.811 162 H LYS 23 HN LYS 23 -3.562 -4.481 4.455 163 HA LYS 23 HA LYS 23 -1.555 -6.031 5.786 164 1HB LYS 23 HB2 LYS 23 -3.972 -6.590 5.622 165 2HB LYS 23 HB1 LYS 23 -3.765 -6.857 3.890 166 1HG LYS 23 HG2 LYS 23 -1.861 -8.321 5.613 167 2HG LYS 23 HG1 LYS 23 -3.544 -8.827 5.763 168 1HD LYS 23 HD2 LYS 23 -2.722 -8.396 2.981 169 2HD LYS 23 HD1 LYS 23 -1.796 -9.663 3.787 170 1HE LYS 23 HE2 LYS 23 -4.815 -9.569 3.978 171 2HE LYS 23 HE1 LYS 23 -3.989 -10.402 2.645 172 1HZ LYS 23 HZ2 LYS 23 -2.549 -11.324 4.610 173 2HZ LYS 23 HZ1 LYS 23 -3.950 -11.003 5.516 174 3HZ LYS 23 HZ3 LYS 23 -4.020 -12.065 4.196 175 H ALA 24 HN ALA 24 -2.444 -5.640 2.414 176 HA ALA 24 HA ALA 24 -0.661 -7.373 1.147 177 1HB ALA 24 HB3 ALA 24 -2.437 -5.276 0.517 178 2HB ALA 24 HB2 ALA 24 -0.911 -4.863 -0.263 179 3HB ALA 24 HB1 ALA 24 -1.689 -6.406 -0.611 180 H LEU 25 HN LEU 25 -0.083 -3.864 1.688 181 HA LEU 25 HA LEU 25 2.672 -3.955 0.875 182 1HB LEU 25 HB2 LEU 25 1.481 -2.021 2.868 183 2HB LEU 25 HB1 LEU 25 2.716 -1.708 1.651 184 HG LEU 25 HG LEU 25 0.365 -2.685 0.327 185 1HD1 LEU 25 HD12 LEU 25 -0.493 -1.635 2.625 186 2HD1 LEU 25 HD11 LEU 25 -0.255 -0.127 1.742 187 3HD1 LEU 25 HD13 LEU 25 -1.353 -1.352 1.112 188 1HD2 LEU 25 HD23 LEU 25 2.362 -0.701 0.067 189 2HD2 LEU 25 HD22 LEU 25 1.134 -1.140 -1.120 190 3HD2 LEU 25 HD21 LEU 25 0.818 0.151 0.039 191 H SER 26 HN SER 26 1.051 -4.472 3.957 192 HA SER 26 HA SER 26 3.337 -4.351 5.671 193 1HB SER 26 HB2 SER 26 1.172 -4.310 6.650 194 2HB SER 26 HB1 SER 26 0.638 -5.711 5.725 195 HG SER 26 HG SER 26 1.118 -6.322 7.842 196 H LYS 27 HN LYS 27 2.238 -6.653 3.338 197 HA LYS 27 HA LYS 27 4.396 -8.501 4.222 198 1HB LYS 27 HB2 LYS 27 2.887 -10.355 3.580 199 2HB LYS 27 HB1 LYS 27 2.143 -9.329 4.807 200 1HG LYS 27 HG2 LYS 27 0.415 -9.557 3.240 201 2HG LYS 27 HG1 LYS 27 1.159 -8.034 2.759 202 1HD LYS 27 HD2 LYS 27 2.148 -8.937 0.878 203 2HD LYS 27 HD1 LYS 27 2.216 -10.560 1.569 204 1HE LYS 27 HE2 LYS 27 -0.460 -10.272 1.490 205 2HE LYS 27 HE1 LYS 27 -0.023 -9.212 0.134 206 1HZ LYS 27 HZ2 LYS 27 1.598 -11.133 -0.432 207 2HZ LYS 27 HZ1 LYS 27 0.539 -12.079 0.502 208 3HZ LYS 27 HZ3 LYS 27 -0.036 -11.270 -0.874 209 H VAL 28 HN VAL 28 3.904 -6.337 1.974 210 HA VAL 28 HA VAL 28 3.832 -7.579 -0.557 211 HB VAL 28 HB VAL 28 3.666 -5.186 -0.245 212 1HG1 VAL 28 HG12 VAL 28 5.468 -5.367 1.698 213 2HG1 VAL 28 HG11 VAL 28 6.574 -4.921 0.399 214 3HG1 VAL 28 HG13 VAL 28 5.231 -3.858 0.819 215 1HG2 VAL 28 HG21 VAL 28 5.626 -6.395 -2.023 216 2HG2 VAL 28 HG23 VAL 28 4.471 -5.103 -2.350 217 3HG2 VAL 28 HG22 VAL 28 6.044 -4.723 -1.649 218 H GLU 29 HN GLU 29 6.837 -6.668 1.244 219 HA GLU 29 HA GLU 29 8.234 -9.074 0.836 220 1HB GLU 29 HB2 GLU 29 9.639 -8.282 -1.170 221 2HB GLU 29 HB1 GLU 29 7.998 -8.812 -1.519 222 1HG GLU 29 HG2 GLU 29 7.359 -6.311 -1.216 223 2HG GLU 29 HG1 GLU 29 9.085 -6.005 -1.406 224 H GLY 30 HN GLY 30 8.825 -5.556 0.387 225 1HA GLY 30 HA2 GLY 30 11.086 -5.832 2.332 226 2HA GLY 30 HA1 GLY 30 11.098 -4.683 0.995 227 H VAL 31 HN VAL 31 7.995 -4.804 2.174 228 HA VAL 31 HA VAL 31 7.838 -2.160 3.085 229 HB VAL 31 HB VAL 31 5.903 -3.526 2.601 230 1HG1 VAL 31 HG11 VAL 31 7.029 -5.252 4.803 231 2HG1 VAL 31 HG13 VAL 31 5.319 -5.329 4.380 232 3HG1 VAL 31 HG12 VAL 31 6.545 -5.722 3.175 233 1HG2 VAL 31 HG23 VAL 31 6.166 -1.925 4.883 234 2HG2 VAL 31 HG22 VAL 31 4.653 -2.421 4.125 235 3HG2 VAL 31 HG21 VAL 31 5.326 -3.367 5.452 236 H SER 32 HN SER 32 8.405 -1.130 4.926 237 HA SER 32 HA SER 32 9.384 -2.764 7.225 238 1HB SER 32 HB2 SER 32 10.516 -0.609 5.655 239 2HB SER 32 HB1 SER 32 10.365 -0.107 7.337 240 HG SER 32 HG SER 32 11.958 -1.388 7.785 241 H LYS 33 HN LYS 33 7.000 -0.678 6.054 242 HA LYS 33 HA LYS 33 5.909 -0.322 8.776 243 1HB LYS 33 HB2 LYS 33 7.574 1.587 7.932 244 2HB LYS 33 HB1 LYS 33 6.111 2.138 7.107 245 1HG LYS 33 HG2 LYS 33 4.879 2.163 9.177 246 2HG LYS 33 HG1 LYS 33 6.250 1.472 10.043 247 1HD LYS 33 HD2 LYS 33 6.553 4.058 8.529 248 2HD LYS 33 HD1 LYS 33 5.888 4.052 10.163 249 1HE LYS 33 HE2 LYS 33 8.492 2.645 9.533 250 2HE LYS 33 HE1 LYS 33 8.443 4.365 9.970 251 1HZ LYS 33 HZ2 LYS 33 7.092 3.743 11.921 252 2HZ LYS 33 HZ1 LYS 33 7.323 2.103 11.540 253 3HZ LYS 33 HZ3 LYS 33 8.651 3.068 11.968 254 H VAL 34 HN VAL 34 3.684 0.485 8.698 255 HA VAL 34 HA VAL 34 2.358 0.584 6.054 256 HB VAL 34 HB VAL 34 1.946 -1.542 8.173 257 1HG1 VAL 34 HG12 VAL 34 0.063 -0.368 6.248 258 2HG1 VAL 34 HG11 VAL 34 0.214 -2.119 6.103 259 3HG1 VAL 34 HG13 VAL 34 -0.253 -1.400 7.643 260 1HG2 VAL 34 HG22 VAL 34 3.015 -1.416 5.393 261 2HG2 VAL 34 HG21 VAL 34 3.518 -2.432 6.741 262 3HG2 VAL 34 HG23 VAL 34 2.070 -2.840 5.821 263 H ASP 35 HN ASP 35 0.574 1.904 6.148 264 HA ASP 35 HA ASP 35 -1.003 2.313 8.560 265 1HB ASP 35 HB2 ASP 35 1.346 3.968 7.933 266 2HB ASP 35 HB1 ASP 35 -0.123 4.919 8.148 267 H VAL 36 HN VAL 36 -2.718 1.874 7.036 268 HA VAL 36 HA VAL 36 -2.982 3.804 4.771 269 HB VAL 36 HB VAL 36 -4.302 2.077 3.756 270 1HG1 VAL 36 HG11 VAL 36 -1.793 1.704 3.981 271 2HG1 VAL 36 HG13 VAL 36 -2.161 0.613 5.316 272 3HG1 VAL 36 HG12 VAL 36 -2.751 0.251 3.694 273 1HG2 VAL 36 HG23 VAL 36 -5.569 1.572 5.908 274 2HG2 VAL 36 HG22 VAL 36 -5.149 0.164 4.939 275 3HG2 VAL 36 HG21 VAL 36 -4.206 0.556 6.376 276 H GLY 37 HN GLY 37 -5.759 3.215 4.409 277 1HA GLY 37 HA2 GLY 37 -7.117 4.226 6.827 278 2HA GLY 37 HA1 GLY 37 -7.187 5.245 5.386 279 H PHE 38 HN PHE 38 -8.675 2.744 7.023 280 HA PHE 38 HA PHE 38 -9.820 1.303 4.749 281 1HB PHE 38 HB2 PHE 38 -10.809 -0.031 6.460 282 2HB PHE 38 HB1 PHE 38 -9.229 0.432 7.081 283 HD1 PHE 38 HD1 PHE 38 -10.296 3.450 7.540 284 HD2 PHE 38 HD2 PHE 38 -11.593 -0.461 8.762 285 HE1 PHE 38 HE1 PHE 38 -11.380 4.432 9.535 286 HE2 PHE 38 HE2 PHE 38 -12.681 0.528 10.756 287 HZ PHE 38 HZ PHE 38 -12.576 2.973 11.143 288 H GLU 39 HN GLU 39 -10.540 3.625 3.972 289 HA GLU 39 HA GLU 39 -13.405 3.768 4.116 290 1HB GLU 39 HB2 GLU 39 -12.147 4.736 6.372 291 2HB GLU 39 HB1 GLU 39 -12.343 6.200 5.408 292 1HG GLU 39 HG2 GLU 39 -14.372 6.114 6.564 293 2HG GLU 39 HG1 GLU 39 -14.784 5.311 5.048 294 H LYS 40 HN LYS 40 -10.828 6.255 4.080 295 HA LYS 40 HA LYS 40 -11.851 7.268 1.489 296 1HB LYS 40 HB2 LYS 40 -10.077 9.019 1.956 297 2HB LYS 40 HB1 LYS 40 -11.297 8.878 3.221 298 1HG LYS 40 HG2 LYS 40 -9.837 7.826 4.703 299 2HG LYS 40 HG1 LYS 40 -8.795 7.230 3.411 300 1HD LYS 40 HD2 LYS 40 -7.458 8.966 4.072 301 2HD LYS 40 HD1 LYS 40 -8.528 9.897 3.023 302 1HE LYS 40 HE2 LYS 40 -8.930 9.514 6.014 303 2HE LYS 40 HE1 LYS 40 -8.317 10.988 5.238 304 1HZ LYS 40 HZ1 LYS 40 -10.415 10.670 3.754 305 2HZ LYS 40 HZ3 LYS 40 -10.996 9.788 5.081 306 3HZ LYS 40 HZ2 LYS 40 -10.559 11.419 5.273 307 H ARG 41 HN ARG 41 -10.799 4.654 1.438 308 HA ARG 41 HA ARG 41 -8.948 3.321 0.690 309 1HB ARG 41 HB2 ARG 41 -8.960 3.599 -1.730 310 2HB ARG 41 HB1 ARG 41 -10.587 3.833 -1.100 311 1HG ARG 41 HG2 ARG 41 -10.646 5.879 -2.028 312 2HG ARG 41 HG1 ARG 41 -9.258 6.358 -1.058 313 1HD ARG 41 HD2 ARG 41 -7.707 5.689 -2.748 314 2HD ARG 41 HD1 ARG 41 -8.957 4.796 -3.637 315 HE ARG 41 HE ARG 41 -9.944 7.399 -3.449 316 1HH1 ARG 41 HH21 ARG 41 -7.086 5.863 -4.629 317 2HH1 ARG 41 HH22 ARG 41 -6.808 7.043 -5.866 318 1HH2 ARG 41 HH11 ARG 41 -9.592 8.942 -5.058 319 2HH2 ARG 41 HH12 ARG 41 -8.222 8.785 -6.107 320 H GLU 42 HN GLU 42 -7.120 4.154 2.016 321 HA GLU 42 HA GLU 42 -5.172 5.537 0.224 322 1HB GLU 42 HB2 GLU 42 -6.694 7.046 1.835 323 2HB GLU 42 HB1 GLU 42 -5.446 6.607 3.002 324 1HG GLU 42 HG2 GLU 42 -3.810 7.786 1.907 325 2HG GLU 42 HG1 GLU 42 -4.512 7.486 0.316 326 H ALA 43 HN ALA 43 -3.384 4.194 0.331 327 HA ALA 43 HA ALA 43 -2.767 2.935 2.977 328 1HB ALA 43 HB2 ALA 43 -3.061 1.944 0.355 329 2HB ALA 43 HB1 ALA 43 -1.336 1.856 0.711 330 3HB ALA 43 HB3 ALA 43 -2.496 1.054 1.769 331 H VAL 44 HN VAL 44 -1.102 3.928 4.034 332 HA VAL 44 HA VAL 44 1.060 5.198 2.397 333 HB VAL 44 HB VAL 44 -0.439 5.877 4.846 334 1HG1 VAL 44 HG12 VAL 44 2.553 5.872 4.819 335 2HG1 VAL 44 HG11 VAL 44 1.739 7.262 5.537 336 3HG1 VAL 44 HG13 VAL 44 1.446 5.643 6.173 337 1HG2 VAL 44 HG23 VAL 44 -0.488 7.201 2.766 338 2HG2 VAL 44 HG22 VAL 44 0.136 8.155 4.112 339 3HG2 VAL 44 HG21 VAL 44 1.245 7.491 2.912 340 H VAL 45 HN VAL 45 2.791 3.833 2.261 341 HA VAL 45 HA VAL 45 3.519 2.322 4.758 342 HB VAL 45 HB VAL 45 3.146 1.334 1.923 343 1HG1 VAL 45 HG12 VAL 45 5.150 0.452 3.621 344 2HG1 VAL 45 HG11 VAL 45 3.835 -0.669 3.945 345 3HG1 VAL 45 HG13 VAL 45 4.443 -0.478 2.305 346 1HG2 VAL 45 HG21 VAL 45 1.308 1.557 3.883 347 2HG2 VAL 45 HG23 VAL 45 1.290 0.243 2.709 348 3HG2 VAL 45 HG22 VAL 45 1.987 -0.012 4.308 349 H THR 46 HN THR 46 5.700 1.807 4.990 350 HA THR 46 HA THR 46 7.621 3.234 3.168 351 HB THR 46 HB THR 46 7.533 2.556 6.111 352 HG1 THR 46 HG1 THR 46 6.991 4.594 5.868 353 1HG2 THR 46 HG21 THR 46 9.693 1.700 5.232 354 2HG2 THR 46 HG23 THR 46 10.027 3.296 4.558 355 3HG2 THR 46 HG22 THR 46 9.915 3.082 6.305 356 H PHE 47 HN PHE 47 9.743 1.932 2.952 357 HA PHE 47 HA PHE 47 9.689 -0.896 3.575 358 1HB PHE 47 HB2 PHE 47 9.294 -1.650 1.248 359 2HB PHE 47 HB1 PHE 47 7.913 -0.737 1.864 360 HD1 PHE 47 HD2 PHE 47 10.842 -0.648 -0.397 361 HD2 PHE 47 HD1 PHE 47 7.415 1.509 1.063 362 HE1 PHE 47 HE2 PHE 47 11.093 1.003 -2.224 363 HE2 PHE 47 HE1 PHE 47 7.675 3.148 -0.771 364 HZ PHE 47 HZ PHE 47 9.511 2.897 -2.411 365 H ASP 48 HN ASP 48 11.253 -1.974 1.754 366 HA ASP 48 HA ASP 48 13.684 -0.248 1.724 367 1HB ASP 48 HB2 ASP 48 13.131 -2.887 2.594 368 2HB ASP 48 HB1 ASP 48 14.096 -3.056 1.127 369 H ASP 49 HN ASP 49 13.830 0.695 -0.282 370 HA ASP 49 HA ASP 49 12.476 -0.223 -2.608 371 1HB ASP 49 HB2 ASP 49 13.035 1.978 -2.808 372 2HB ASP 49 HB1 ASP 49 14.494 1.797 -1.839 373 H THR 50 HN THR 50 15.246 -1.543 -1.131 374 HA THR 50 HA THR 50 16.598 -2.454 -3.555 375 HB THR 50 HB THR 50 17.495 -4.098 -1.610 376 HG1 THR 50 HG1 THR 50 17.410 -2.495 0.271 377 1HG2 THR 50 HG22 THR 50 18.123 -1.322 -2.434 378 2HG2 THR 50 HG21 THR 50 18.856 -1.863 -0.923 379 3HG2 THR 50 HG23 THR 50 19.153 -2.753 -2.416 380 H LYS 51 HN LYS 51 14.075 -3.683 -1.429 381 HA LYS 51 HA LYS 51 13.868 -6.127 -3.160 382 1HB LYS 51 HB2 LYS 51 13.806 -5.625 -0.238 383 2HB LYS 51 HB1 LYS 51 12.598 -6.766 -0.829 384 1HG LYS 51 HG2 LYS 51 14.951 -7.470 -2.176 385 2HG LYS 51 HG1 LYS 51 15.467 -7.126 -0.525 386 1HD LYS 51 HD2 LYS 51 13.222 -9.006 -1.321 387 2HD LYS 51 HD1 LYS 51 14.818 -9.490 -0.745 388 1HE LYS 51 HE2 LYS 51 13.628 -7.582 1.092 389 2HE LYS 51 HE1 LYS 51 12.561 -8.981 0.856 390 1HZ LYS 51 HZ2 LYS 51 15.408 -9.546 1.044 391 2HZ LYS 51 HZ1 LYS 51 14.663 -9.033 2.482 392 3HZ LYS 51 HZ3 LYS 51 14.087 -10.409 1.675 393 H ALA 52 HN ALA 52 12.460 -3.199 -2.557 394 HA ALA 52 HA ALA 52 9.864 -4.078 -3.661 395 1HB ALA 52 HB2 ALA 52 9.852 -4.298 -1.119 396 2HB ALA 52 HB1 ALA 52 10.032 -2.545 -1.053 397 3HB ALA 52 HB3 ALA 52 8.596 -3.255 -1.787 398 H SER 53 HN SER 53 8.433 -1.780 -3.413 399 HA SER 53 HA SER 53 9.855 0.685 -3.737 400 1HB SER 53 HB2 SER 53 10.001 -1.179 -5.900 401 2HB SER 53 HB1 SER 53 9.012 0.180 -6.425 402 HG SER 53 HG SER 53 11.696 0.047 -5.838 403 H VAL 54 HN VAL 54 8.356 2.422 -4.317 404 HA VAL 54 HA VAL 54 5.779 2.346 -3.385 405 HB VAL 54 HB VAL 54 5.461 4.322 -4.757 406 1HG1 VAL 54 HG13 VAL 54 7.698 3.874 -3.126 407 2HG1 VAL 54 HG12 VAL 54 8.316 4.727 -4.541 408 3HG1 VAL 54 HG11 VAL 54 7.018 5.437 -3.580 409 1HG2 VAL 54 HG21 VAL 54 7.714 3.148 -6.396 410 2HG2 VAL 54 HG23 VAL 54 6.068 3.487 -6.931 411 3HG2 VAL 54 HG22 VAL 54 7.168 4.817 -6.566 412 H GLN 55 HN GLN 55 6.875 1.377 -6.626 413 HA GLN 55 HA GLN 55 4.279 0.923 -7.764 414 1HB GLN 55 HB2 GLN 55 6.795 0.976 -8.681 415 2HB GLN 55 HB1 GLN 55 6.647 -0.769 -8.468 416 1HG GLN 55 HG2 GLN 55 4.857 -0.925 -9.997 417 2HG GLN 55 HG1 GLN 55 4.514 0.803 -9.907 418 1HE2 GLN 55 HE22 GLN 55 7.704 -0.444 -12.192 419 2HE2 GLN 55 HE21 GLN 55 7.171 -1.425 -10.914 420 H LYS 56 HN LYS 56 6.585 -1.261 -6.122 421 HA LYS 56 HA LYS 56 5.007 -3.634 -6.251 422 1HB LYS 56 HB2 LYS 56 7.258 -2.536 -4.619 423 2HB LYS 56 HB1 LYS 56 6.464 -4.000 -4.037 424 1HG LYS 56 HG2 LYS 56 7.317 -5.273 -5.716 425 2HG LYS 56 HG1 LYS 56 7.066 -4.012 -6.923 426 1HD LYS 56 HD2 LYS 56 9.059 -2.992 -5.240 427 2HD LYS 56 HD1 LYS 56 9.483 -4.691 -5.459 428 1HE LYS 56 HE2 LYS 56 8.611 -3.437 -7.962 429 2HE LYS 56 HE1 LYS 56 10.053 -2.667 -7.272 430 1HZ LYS 56 HZ1 LYS 56 9.688 -5.601 -7.572 431 2HZ LYS 56 HZ3 LYS 56 10.590 -4.636 -8.636 432 3HZ LYS 56 HZ2 LYS 56 11.084 -4.805 -7.019 433 H LEU 57 HN LEU 57 4.906 -0.853 -4.068 434 HA LEU 57 HA LEU 57 3.296 -2.041 -1.995 435 1HB LEU 57 HB2 LEU 57 3.418 0.833 -2.982 436 2HB LEU 57 HB1 LEU 57 2.923 0.305 -1.378 437 HG LEU 57 HG LEU 57 5.690 -0.107 -2.563 438 1HD1 LEU 57 HD12 LEU 57 4.574 2.233 -1.583 439 2HD1 LEU 57 HD11 LEU 57 5.407 1.565 -0.180 440 3HD1 LEU 57 HD13 LEU 57 6.299 1.876 -1.668 441 1HD2 LEU 57 HD21 LEU 57 4.386 -1.471 -0.489 442 2HD2 LEU 57 HD23 LEU 57 6.123 -1.441 -0.794 443 3HD2 LEU 57 HD22 LEU 57 5.405 -0.284 0.327 444 H THR 58 HN THR 58 2.466 0.032 -4.774 445 HA THR 58 HA THR 58 -0.386 -0.216 -4.554 446 HB THR 58 HB THR 58 1.232 0.178 -7.078 447 HG1 THR 58 HG1 THR 58 0.597 2.283 -5.342 448 1HG2 THR 58 HG23 THR 58 -1.365 0.129 -6.953 449 2HG2 THR 58 HG22 THR 58 -1.201 1.709 -6.188 450 3HG2 THR 58 HG21 THR 58 -0.593 1.454 -7.824 451 H LYS 59 HN LYS 59 2.125 -2.312 -5.650 452 HA LYS 59 HA LYS 59 0.455 -3.959 -7.405 453 1HB LYS 59 HB2 LYS 59 3.068 -3.491 -7.287 454 2HB LYS 59 HB1 LYS 59 3.036 -4.837 -6.148 455 1HG LYS 59 HG2 LYS 59 1.881 -6.229 -7.842 456 2HG LYS 59 HG1 LYS 59 1.973 -4.890 -8.986 457 1HD LYS 59 HD2 LYS 59 3.824 -6.387 -9.438 458 2HD LYS 59 HD1 LYS 59 4.473 -4.916 -8.711 459 1HE LYS 59 HE2 LYS 59 4.961 -5.970 -6.685 460 2HE LYS 59 HE1 LYS 59 3.729 -7.225 -6.927 461 1HZ LYS 59 HZ2 LYS 59 6.159 -6.900 -8.609 462 2HZ LYS 59 HZ1 LYS 59 6.007 -8.037 -7.355 463 3HZ LYS 59 HZ3 LYS 59 5.008 -8.145 -8.721 464 H ALA 60 HN ALA 60 1.400 -3.847 -4.022 465 HA ALA 60 HA ALA 60 0.593 -6.562 -3.369 466 1HB ALA 60 HB1 ALA 60 2.168 -5.178 -2.033 467 2HB ALA 60 HB3 ALA 60 0.862 -4.047 -1.679 468 3HB ALA 60 HB2 ALA 60 0.796 -5.694 -1.052 469 H THR 61 HN THR 61 -0.973 -3.359 -3.170 470 HA THR 61 HA THR 61 -3.498 -4.441 -2.154 471 HB THR 61 HB THR 61 -2.659 -2.104 -1.866 472 HG1 THR 61 HG1 THR 61 -4.733 -1.172 -2.839 473 1HG2 THR 61 HG22 THR 61 -1.750 -2.073 -4.278 474 2HG2 THR 61 HG21 THR 61 -3.396 -1.655 -4.751 475 3HG2 THR 61 HG23 THR 61 -2.492 -0.593 -3.672 476 H ALA 62 HN ALA 62 -2.052 -3.640 -5.261 477 HA ALA 62 HA ALA 62 -4.329 -3.953 -6.936 478 1HB ALA 62 HB1 ALA 62 -1.350 -4.391 -7.243 479 2HB ALA 62 HB3 ALA 62 -2.454 -4.622 -8.599 480 3HB ALA 62 HB2 ALA 62 -2.314 -3.038 -7.835 481 H ASP 63 HN ASP 63 -2.162 -6.235 -5.355 482 HA ASP 63 HA ASP 63 -3.401 -8.549 -6.722 483 1HB ASP 63 HB2 ASP 63 -1.039 -8.667 -6.397 484 2HB ASP 63 HB1 ASP 63 -1.168 -8.107 -4.729 485 H ALA 64 HN ALA 64 -3.816 -6.660 -3.867 486 HA ALA 64 HA ALA 64 -4.980 -8.728 -2.184 487 1HB ALA 64 HB1 ALA 64 -4.920 -5.703 -2.258 488 2HB ALA 64 HB3 ALA 64 -5.850 -6.567 -1.034 489 3HB ALA 64 HB2 ALA 64 -4.102 -6.781 -1.127 490 H GLY 65 HN GLY 65 -5.996 -6.811 -4.863 491 1HA GLY 65 HA2 GLY 65 -8.060 -7.591 -6.030 492 2HA GLY 65 HA1 GLY 65 -8.799 -7.733 -4.438 493 H TYR 66 HN TYR 66 -6.696 -5.060 -5.071 494 HA TYR 66 HA TYR 66 -9.048 -3.268 -5.518 495 1HB TYR 66 HB2 TYR 66 -6.851 -2.791 -3.483 496 2HB TYR 66 HB1 TYR 66 -8.368 -1.907 -3.658 497 HD1 TYR 66 HD1 TYR 66 -10.471 -3.686 -3.825 498 HD2 TYR 66 HD2 TYR 66 -6.825 -4.219 -1.608 499 HE1 TYR 66 HE1 TYR 66 -11.621 -5.284 -2.318 500 HE2 TYR 66 HE2 TYR 66 -7.976 -5.821 -0.119 501 HH TYR 66 HH TYR 66 -9.931 -6.718 0.466 502 HA PRO 67 HA PRO 67 -5.727 -2.293 -8.552 503 1HB PRO 67 HB2 PRO 67 -7.832 -0.727 -9.808 504 2HB PRO 67 HB1 PRO 67 -7.010 -2.161 -10.428 505 1HG PRO 67 HG2 PRO 67 -9.682 -1.994 -9.453 506 2HG PRO 67 HG1 PRO 67 -8.816 -3.447 -9.960 507 1HD PRO 67 HD2 PRO 67 -9.584 -2.688 -7.282 508 2HD PRO 67 HD1 PRO 67 -8.706 -4.151 -7.793 509 H SER 68 HN SER 68 -4.610 -0.900 -7.078 510 HA SER 68 HA SER 68 -5.799 1.811 -6.633 511 1HB SER 68 HB2 SER 68 -4.627 1.797 -4.618 512 2HB SER 68 HB1 SER 68 -4.966 0.080 -4.822 513 HG SER 68 HG SER 68 -2.890 -0.118 -5.775 514 H SER 69 HN SER 69 -3.405 3.072 -5.942 515 HA SER 69 HA SER 69 -1.606 2.953 -8.284 516 1HB SER 69 HB2 SER 69 -3.858 4.594 -8.224 517 2HB SER 69 HB1 SER 69 -2.557 5.665 -7.713 518 HG SER 69 HG SER 69 -2.945 4.308 -10.128 519 H VAL 70 HN VAL 70 -0.218 5.269 -7.821 520 HA VAL 70 HA VAL 70 0.495 5.221 -4.926 521 HB VAL 70 HB VAL 70 1.701 3.650 -6.552 522 1HG1 VAL 70 HG11 VAL 70 2.871 6.329 -7.364 523 2HG1 VAL 70 HG13 VAL 70 3.620 4.778 -7.746 524 3HG1 VAL 70 HG12 VAL 70 2.033 5.176 -8.402 525 1HG2 VAL 70 HG23 VAL 70 2.478 4.749 -4.225 526 2HG2 VAL 70 HG22 VAL 70 3.535 3.685 -5.153 527 3HG2 VAL 70 HG21 VAL 70 3.721 5.434 -5.271 528 H LYS 71 HN LYS 71 1.337 7.241 -4.133 529 HA LYS 71 HA LYS 71 1.959 9.377 -6.084 530 1HB LYS 71 HB2 LYS 71 0.034 10.744 -4.954 531 2HB LYS 71 HB1 LYS 71 -0.385 9.563 -6.198 532 1HG LYS 71 HG2 LYS 71 -1.436 8.200 -4.720 533 2HG LYS 71 HG1 LYS 71 -0.188 8.424 -3.495 534 1HD LYS 71 HD2 LYS 71 -1.164 10.378 -2.668 535 2HD LYS 71 HD1 LYS 71 -2.092 10.652 -4.141 536 1HE LYS 71 HE2 LYS 71 -3.728 9.087 -3.566 537 2HE LYS 71 HE1 LYS 71 -2.622 8.170 -2.524 538 1HZ LYS 71 HZ1 LYS 71 -2.545 10.576 -1.372 539 2HZ LYS 71 HZ3 LYS 71 -4.144 10.573 -1.937 540 3HZ LYS 71 HZ2 LYS 71 -3.611 9.343 -0.892 541 H GLN 72 HN GLN 72 3.614 8.350 -4.160 542 HA GLN 72 HA GLN 72 3.755 9.219 -1.565 543 1HB GLN 72 HB2 GLN 72 6.154 9.251 -1.890 544 2HB GLN 72 HB1 GLN 72 5.488 8.036 -2.981 545 1HG GLN 72 HG2 GLN 72 6.907 9.211 -4.411 546 2HG GLN 72 HG1 GLN 72 5.369 10.029 -4.687 547 1HE2 GLN 72 HE22 GLN 72 7.248 12.990 -4.050 548 2HE2 GLN 72 HE21 GLN 72 6.535 12.033 -5.257 No H/Q in entry = 548 Start of MODEL 5 1 1H ALA 1 HT3 ALA 1 18.437 0.456 1.507 2 2H ALA 1 HT2 ALA 1 17.729 -0.010 0.034 3 3H ALA 1 HT1 ALA 1 19.069 1.034 0.043 4 HA ALA 1 HA ALA 1 17.822 2.821 0.924 5 1HB ALA 1 HB1 ALA 1 17.415 1.593 -1.501 6 2HB ALA 1 HB3 ALA 1 15.766 1.736 -0.891 7 3HB ALA 1 HB2 ALA 1 16.769 3.176 -1.066 8 H THR 2 HN THR 2 15.898 3.578 1.965 9 HA THR 2 HA THR 2 13.911 1.621 2.929 10 HB THR 2 HB THR 2 14.518 3.270 5.096 11 HG1 THR 2 HG1 THR 2 16.436 3.841 3.929 12 1HG2 THR 2 HG21 THR 2 14.282 0.585 4.573 13 2HG2 THR 2 HG23 THR 2 15.974 0.722 5.050 14 3HG2 THR 2 HG22 THR 2 14.702 1.271 6.142 15 H GLN 3 HN GLN 3 12.555 2.838 1.443 16 HA GLN 3 HA GLN 3 12.045 5.674 2.282 17 1HB GLN 3 HB2 GLN 3 11.220 5.775 -0.186 18 2HB GLN 3 HB1 GLN 3 12.956 5.706 0.114 19 1HG GLN 3 HG2 GLN 3 13.126 3.489 -0.569 20 2HG GLN 3 HG1 GLN 3 11.434 3.143 -0.210 21 1HE2 GLN 3 HE22 GLN 3 12.312 3.935 -3.963 22 2HE2 GLN 3 HE21 GLN 3 13.363 3.270 -2.809 23 H THR 4 HN THR 4 9.909 6.394 2.389 24 HA THR 4 HA THR 4 7.803 4.280 2.321 25 HB THR 4 HB THR 4 7.620 4.831 4.495 26 HG1 THR 4 HG1 THR 4 5.869 5.975 3.952 27 1HG2 THR 4 HG22 THR 4 9.884 5.885 4.400 28 2HG2 THR 4 HG21 THR 4 9.100 7.421 4.035 29 3HG2 THR 4 HG23 THR 4 8.812 6.630 5.585 30 H VAL 5 HN VAL 5 5.968 4.755 1.187 31 HA VAL 5 HA VAL 5 5.647 7.509 0.031 32 HB VAL 5 HB VAL 5 4.973 6.340 -2.057 33 1HG1 VAL 5 HG13 VAL 5 7.546 6.676 -1.003 34 2HG1 VAL 5 HG12 VAL 5 7.553 5.049 -1.682 35 3HG1 VAL 5 HG11 VAL 5 7.133 6.427 -2.698 36 1HG2 VAL 5 HG23 VAL 5 4.423 4.207 -0.587 37 2HG2 VAL 5 HG22 VAL 5 4.964 4.019 -2.255 38 3HG2 VAL 5 HG21 VAL 5 6.104 3.801 -0.928 39 H THR 6 HN THR 6 3.355 7.757 -0.775 40 HA THR 6 HA THR 6 1.490 6.429 1.135 41 HB THR 6 HB THR 6 1.840 8.964 1.118 42 HG1 THR 6 HG1 THR 6 -0.791 8.558 0.363 43 1HG2 THR 6 HG23 THR 6 1.682 8.654 -1.604 44 2HG2 THR 6 HG22 THR 6 0.066 9.241 -1.211 45 3HG2 THR 6 HG21 THR 6 1.483 10.188 -0.756 46 H LEU 7 HN LEU 7 -0.646 5.832 0.148 47 HA LEU 7 HA LEU 7 -0.399 5.412 -2.802 48 1HB LEU 7 HB2 LEU 7 -0.431 3.501 -0.610 49 2HB LEU 7 HB1 LEU 7 -1.759 3.197 -1.726 50 HG LEU 7 HG LEU 7 -0.250 3.079 -3.589 51 1HD1 LEU 7 HD11 LEU 7 1.666 4.220 -1.608 52 2HD1 LEU 7 HD13 LEU 7 2.291 3.228 -2.924 53 3HD1 LEU 7 HD12 LEU 7 1.372 4.685 -3.278 54 1HD2 LEU 7 HD22 LEU 7 0.850 1.571 -1.197 55 2HD2 LEU 7 HD21 LEU 7 -0.396 1.001 -2.308 56 3HD2 LEU 7 HD23 LEU 7 1.261 1.211 -2.873 57 H ALA 8 HN ALA 8 -2.355 5.222 -3.911 58 HA ALA 8 HA ALA 8 -4.805 6.100 -2.406 59 1HB ALA 8 HB3 ALA 8 -3.345 7.521 -4.266 60 2HB ALA 8 HB2 ALA 8 -4.588 6.776 -5.271 61 3HB ALA 8 HB1 ALA 8 -5.049 7.802 -3.912 62 H VAL 9 HN VAL 9 -5.979 4.166 -2.331 63 HA VAL 9 HA VAL 9 -6.183 2.629 -4.903 64 HB VAL 9 HB VAL 9 -5.074 1.456 -3.075 65 1HG1 VAL 9 HG13 VAL 9 -7.391 2.524 -1.552 66 2HG1 VAL 9 HG12 VAL 9 -6.847 0.908 -1.119 67 3HG1 VAL 9 HG11 VAL 9 -5.727 2.268 -1.034 68 1HG2 VAL 9 HG22 VAL 9 -6.732 0.276 -4.615 69 2HG2 VAL 9 HG21 VAL 9 -6.384 -0.538 -3.090 70 3HG2 VAL 9 HG23 VAL 9 -7.885 0.367 -3.283 71 HA PRO 10 HA PRO 10 -10.415 4.357 -4.054 72 1HB PRO 10 HB2 PRO 10 -10.728 4.967 -6.786 73 2HB PRO 10 HB1 PRO 10 -10.308 6.105 -5.501 74 1HG PRO 10 HG2 PRO 10 -8.626 5.069 -7.641 75 2HG PRO 10 HG1 PRO 10 -8.296 6.383 -6.508 76 1HD PRO 10 HD2 PRO 10 -7.173 3.739 -6.490 77 2HD PRO 10 HD1 PRO 10 -6.909 5.041 -5.307 78 H GLY 11 HN GLY 11 -9.094 1.699 -5.590 79 1HA GLY 11 HA2 GLY 11 -11.118 0.739 -7.310 80 2HA GLY 11 HA1 GLY 11 -10.056 -0.301 -6.358 81 H MET 12 HN MET 12 -10.953 0.909 -3.825 82 HA MET 12 HA MET 12 -13.809 0.532 -3.518 83 1HB MET 12 HB2 MET 12 -11.903 -1.749 -3.308 84 2HB MET 12 HB1 MET 12 -13.143 -1.651 -2.059 85 1HG MET 12 HG2 MET 12 -14.436 -1.102 -4.515 86 2HG MET 12 HG1 MET 12 -13.412 -2.510 -4.792 87 1HE MET 12 HE3 MET 12 -15.338 -0.840 -2.043 88 2HE MET 12 HE2 MET 12 -16.729 -1.204 -3.062 89 3HE MET 12 HE1 MET 12 -16.558 -2.001 -1.501 90 H THR 13 HN THR 13 -14.153 1.914 -1.797 91 HA THR 13 HA THR 13 -12.340 1.689 0.557 92 HB THR 13 HB THR 13 -11.419 3.461 -0.802 93 HG1 THR 13 HG1 THR 13 -11.705 3.878 1.464 94 1HG2 THR 13 HG21 THR 13 -13.657 3.717 -2.068 95 2HG2 THR 13 HG23 THR 13 -14.094 4.848 -0.789 96 3HG2 THR 13 HG22 THR 13 -12.695 5.173 -1.811 97 H CYS 14 HN CYS 14 -13.809 1.113 2.131 98 HA CYS 14 HA CYS 14 -16.079 2.975 2.636 99 1HB CYS 14 HB2 CYS 14 -16.663 0.037 2.748 100 2HB CYS 14 HB1 CYS 14 -17.753 1.373 2.403 101 H ALA 15 HN ALA 15 -14.908 -0.225 3.704 102 HA ALA 15 HA ALA 15 -13.976 0.776 6.271 103 1HB ALA 15 HB1 ALA 15 -16.726 -0.345 5.881 104 2HB ALA 15 HB3 ALA 15 -15.870 -0.763 7.366 105 3HB ALA 15 HB2 ALA 15 -16.186 0.928 6.975 106 H ALA 16 HN ALA 16 -13.236 -1.074 3.956 107 HA ALA 16 HA ALA 16 -12.041 -3.179 5.581 108 1HB ALA 16 HB2 ALA 16 -14.603 -3.539 4.148 109 2HB ALA 16 HB1 ALA 16 -13.426 -4.832 3.913 110 3HB ALA 16 HB3 ALA 16 -13.962 -4.412 5.540 111 H CYS 17 HN CYS 17 -12.943 -2.189 2.248 112 HA CYS 17 HA CYS 17 -10.917 -3.769 0.948 113 1HB CYS 17 HB2 CYS 17 -12.087 -1.180 -0.075 114 2HB CYS 17 HB1 CYS 17 -11.556 -2.574 -1.005 115 HA PRO 18 HA PRO 18 -8.305 0.289 0.895 116 1HB PRO 18 HB2 PRO 18 -8.864 1.820 3.211 117 2HB PRO 18 HB1 PRO 18 -9.248 2.253 1.546 118 1HG PRO 18 HG2 PRO 18 -11.062 1.404 3.664 119 2HG PRO 18 HG1 PRO 18 -11.443 2.088 2.084 120 1HD PRO 18 HD2 PRO 18 -11.771 -0.619 2.907 121 2HD PRO 18 HD1 PRO 18 -11.977 0.020 1.261 122 H ILE 19 HN ILE 19 -9.471 -0.871 4.037 123 HA ILE 19 HA ILE 19 -6.930 -0.979 5.384 124 HB ILE 19 HB ILE 19 -9.619 -1.438 5.878 125 1HG1 ILE 19 HG12 ILE 19 -7.422 -2.271 7.776 126 2HG1 ILE 19 HG11 ILE 19 -7.715 -0.579 7.371 127 1HG2 ILE 19 HG22 ILE 19 -9.174 -3.838 5.102 128 2HG2 ILE 19 HG21 ILE 19 -8.212 -4.016 6.569 129 3HG2 ILE 19 HG23 ILE 19 -9.933 -3.648 6.682 130 1HD1 ILE 19 HD11 ILE 19 -10.185 -1.081 7.997 131 2HD1 ILE 19 HD13 ILE 19 -9.534 -2.510 8.801 132 3HD1 ILE 19 HD12 ILE 19 -9.018 -0.901 9.308 133 H THR 20 HN THR 20 -8.574 -3.178 3.161 134 HA THR 20 HA THR 20 -6.984 -5.521 3.558 135 HB THR 20 HB THR 20 -8.235 -4.465 0.987 136 HG1 THR 20 HG1 THR 20 -9.404 -6.034 3.044 137 1HG2 THR 20 HG22 THR 20 -7.220 -7.101 1.958 138 2HG2 THR 20 HG21 THR 20 -8.655 -7.101 0.933 139 3HG2 THR 20 HG23 THR 20 -7.149 -6.395 0.344 140 H VAL 21 HN VAL 21 -6.432 -2.472 2.037 141 HA VAL 21 HA VAL 21 -4.218 -3.279 0.366 142 HB VAL 21 HB VAL 21 -5.021 -0.590 1.527 143 1HG1 VAL 21 HG11 VAL 21 -2.766 -1.406 -0.040 144 2HG1 VAL 21 HG13 VAL 21 -3.809 -0.395 -1.040 145 3HG1 VAL 21 HG12 VAL 21 -3.197 0.218 0.496 146 1HG2 VAL 21 HG21 VAL 21 -6.074 -2.268 -0.666 147 2HG2 VAL 21 HG23 VAL 21 -6.856 -0.964 0.226 148 3HG2 VAL 21 HG22 VAL 21 -5.765 -0.590 -1.108 149 H LYS 22 HN LYS 22 -4.670 -2.134 3.652 150 HA LYS 22 HA LYS 22 -1.959 -1.587 4.331 151 1HB LYS 22 HB2 LYS 22 -3.884 -0.904 5.690 152 2HB LYS 22 HB1 LYS 22 -4.336 -2.588 5.940 153 1HG LYS 22 HG2 LYS 22 -2.558 -2.997 7.386 154 2HG LYS 22 HG1 LYS 22 -1.584 -1.685 6.722 155 1HD LYS 22 HD2 LYS 22 -3.283 -0.070 7.691 156 2HD LYS 22 HD1 LYS 22 -4.002 -1.445 8.530 157 1HE LYS 22 HE2 LYS 22 -1.885 -1.886 9.694 158 2HE LYS 22 HE1 LYS 22 -1.105 -0.560 8.809 159 1HZ LYS 22 HZ3 LYS 22 -3.629 -0.028 10.208 160 2HZ LYS 22 HZ2 LYS 22 -2.206 -0.131 11.130 161 3HZ LYS 22 HZ1 LYS 22 -2.335 1.019 9.887 162 H LYS 23 HN LYS 23 -3.930 -4.502 4.230 163 HA LYS 23 HA LYS 23 -2.072 -6.238 5.524 164 1HB LYS 23 HB2 LYS 23 -4.536 -6.595 5.038 165 2HB LYS 23 HB1 LYS 23 -4.076 -6.916 3.366 166 1HG LYS 23 HG2 LYS 23 -2.566 -8.416 5.436 167 2HG LYS 23 HG1 LYS 23 -4.262 -8.861 5.241 168 1HD LYS 23 HD2 LYS 23 -3.352 -8.612 2.625 169 2HD LYS 23 HD1 LYS 23 -1.999 -9.372 3.465 170 1HE LYS 23 HE2 LYS 23 -4.751 -10.422 4.023 171 2HE LYS 23 HE1 LYS 23 -3.976 -10.863 2.487 172 1HZ LYS 23 HZ3 LYS 23 -2.253 -10.929 4.818 173 2HZ LYS 23 HZ2 LYS 23 -3.478 -12.106 4.805 174 3HZ LYS 23 HZ1 LYS 23 -2.365 -12.019 3.524 175 H ALA 24 HN ALA 24 -2.619 -5.416 2.156 176 HA ALA 24 HA ALA 24 -0.804 -7.148 0.894 177 1HB ALA 24 HB1 ALA 24 -2.536 -5.550 -0.075 178 2HB ALA 24 HB3 ALA 24 -1.342 -4.269 0.137 179 3HB ALA 24 HB2 ALA 24 -1.004 -5.619 -0.946 180 H LEU 25 HN LEU 25 -0.150 -3.718 1.760 181 HA LEU 25 HA LEU 25 2.673 -3.870 1.248 182 1HB LEU 25 HB2 LEU 25 1.355 -2.043 3.259 183 2HB LEU 25 HB1 LEU 25 2.713 -1.692 2.192 184 HG LEU 25 HG LEU 25 0.513 -2.455 0.550 185 1HD1 LEU 25 HD12 LEU 25 -0.663 -1.734 2.787 186 2HD1 LEU 25 HD11 LEU 25 -0.242 -0.104 2.261 187 3HD1 LEU 25 HD13 LEU 25 -1.270 -1.119 1.249 188 1HD2 LEU 25 HD21 LEU 25 2.305 -0.145 1.017 189 2HD2 LEU 25 HD23 LEU 25 1.850 -0.928 -0.496 190 3HD2 LEU 25 HD22 LEU 25 0.766 0.247 0.249 191 H SER 26 HN SER 26 0.719 -4.633 4.059 192 HA SER 26 HA SER 26 2.717 -4.645 6.078 193 1HB SER 26 HB2 SER 26 0.158 -6.182 5.584 194 2HB SER 26 HB1 SER 26 1.104 -6.419 7.050 195 HG SER 26 HG SER 26 -0.087 -4.773 7.670 196 H LYS 27 HN LYS 27 1.889 -6.908 3.520 197 HA LYS 27 HA LYS 27 4.283 -8.490 4.293 198 1HB LYS 27 HB2 LYS 27 2.973 -10.535 3.816 199 2HB LYS 27 HB1 LYS 27 2.213 -9.575 5.087 200 1HG LYS 27 HG2 LYS 27 0.393 -10.037 3.698 201 2HG LYS 27 HG1 LYS 27 0.918 -8.467 3.085 202 1HD LYS 27 HD2 LYS 27 1.540 -9.334 1.092 203 2HD LYS 27 HD1 LYS 27 2.350 -10.703 1.854 204 1HE LYS 27 HE2 LYS 27 -0.330 -11.247 2.325 205 2HE LYS 27 HE1 LYS 27 -0.332 -10.571 0.683 206 1HZ LYS 27 HZ1 LYS 27 1.689 -12.549 1.553 207 2HZ LYS 27 HZ3 LYS 27 0.201 -13.036 0.902 208 3HZ LYS 27 HZ2 LYS 27 1.268 -12.097 -0.030 209 H VAL 28 HN VAL 28 3.528 -6.440 2.094 210 HA VAL 28 HA VAL 28 3.291 -7.664 -0.435 211 HB VAL 28 HB VAL 28 3.194 -5.236 0.037 212 1HG1 VAL 28 HG13 VAL 28 5.230 -5.434 1.637 213 2HG1 VAL 28 HG12 VAL 28 6.205 -5.250 0.179 214 3HG1 VAL 28 HG11 VAL 28 5.085 -3.974 0.658 215 1HG2 VAL 28 HG22 VAL 28 3.752 -6.118 -2.263 216 2HG2 VAL 28 HG21 VAL 28 4.360 -4.492 -1.951 217 3HG2 VAL 28 HG23 VAL 28 5.456 -5.871 -1.880 218 H GLU 29 HN GLU 29 6.270 -6.974 1.430 219 HA GLU 29 HA GLU 29 7.679 -9.295 0.627 220 1HB GLU 29 HB2 GLU 29 7.474 -7.131 -1.342 221 2HB GLU 29 HB1 GLU 29 9.143 -7.603 -1.015 222 1HG GLU 29 HG2 GLU 29 7.788 -10.025 -1.161 223 2HG GLU 29 HG1 GLU 29 7.056 -9.057 -2.441 224 H GLY 30 HN GLY 30 9.053 -6.063 0.234 225 1HA GLY 30 HA2 GLY 30 10.806 -6.596 2.569 226 2HA GLY 30 HA1 GLY 30 11.095 -5.383 1.326 227 H VAL 31 HN VAL 31 7.879 -5.135 2.134 228 HA VAL 31 HA VAL 31 7.896 -2.572 3.196 229 HB VAL 31 HB VAL 31 5.910 -3.977 2.598 230 1HG1 VAL 31 HG13 VAL 31 6.989 -5.801 4.323 231 2HG1 VAL 31 HG12 VAL 31 5.743 -5.074 5.338 232 3HG1 VAL 31 HG11 VAL 31 5.305 -5.817 3.800 233 1HG2 VAL 31 HG21 VAL 31 6.154 -1.968 4.529 234 2HG2 VAL 31 HG23 VAL 31 4.656 -2.496 3.762 235 3HG2 VAL 31 HG22 VAL 31 5.151 -3.194 5.305 236 H SER 32 HN SER 32 8.677 -1.671 4.989 237 HA SER 32 HA SER 32 9.495 -3.444 7.252 238 1HB SER 32 HB2 SER 32 10.925 -1.647 5.751 239 2HB SER 32 HB1 SER 32 10.442 -0.646 7.118 240 HG SER 32 HG SER 32 11.171 -2.661 8.348 241 H LYS 33 HN LYS 33 7.192 -1.159 6.297 242 HA LYS 33 HA LYS 33 6.045 -1.050 8.984 243 1HB LYS 33 HB2 LYS 33 7.313 0.693 9.679 244 2HB LYS 33 HB1 LYS 33 7.966 0.945 8.069 245 1HG LYS 33 HG2 LYS 33 6.847 2.964 8.533 246 2HG LYS 33 HG1 LYS 33 5.671 2.083 7.563 247 1HD LYS 33 HD2 LYS 33 4.256 2.538 9.292 248 2HD LYS 33 HD1 LYS 33 5.067 1.180 10.074 249 1HE LYS 33 HE2 LYS 33 6.803 3.248 10.619 250 2HE LYS 33 HE1 LYS 33 5.223 4.053 10.707 251 1HZ LYS 33 HZ2 LYS 33 5.931 1.490 12.040 252 2HZ LYS 33 HZ1 LYS 33 5.788 2.993 12.819 253 3HZ LYS 33 HZ3 LYS 33 4.423 2.268 12.121 254 H VAL 34 HN VAL 34 3.947 0.225 8.941 255 HA VAL 34 HA VAL 34 2.968 0.901 6.219 256 HB VAL 34 HB VAL 34 1.864 -1.281 8.013 257 1HG1 VAL 34 HG12 VAL 34 0.801 -0.048 5.458 258 2HG1 VAL 34 HG11 VAL 34 0.247 -1.599 6.090 259 3HG1 VAL 34 HG13 VAL 34 -0.004 -0.125 7.025 260 1HG2 VAL 34 HG22 VAL 34 3.162 -1.275 5.271 261 2HG2 VAL 34 HG21 VAL 34 3.776 -2.041 6.737 262 3HG2 VAL 34 HG23 VAL 34 2.326 -2.670 5.953 263 H ASP 35 HN ASP 35 0.816 1.923 6.294 264 HA ASP 35 HA ASP 35 -0.459 2.654 8.795 265 1HB ASP 35 HB2 ASP 35 1.870 4.011 8.252 266 2HB ASP 35 HB1 ASP 35 0.675 5.059 7.488 267 H VAL 36 HN VAL 36 -2.209 1.851 7.369 268 HA VAL 36 HA VAL 36 -2.847 3.602 5.031 269 HB VAL 36 HB VAL 36 -3.925 0.906 5.892 270 1HG1 VAL 36 HG13 VAL 36 -4.123 2.528 3.353 271 2HG1 VAL 36 HG12 VAL 36 -4.389 0.787 3.367 272 3HG1 VAL 36 HG11 VAL 36 -5.430 1.846 4.318 273 1HG2 VAL 36 HG23 VAL 36 -1.362 1.673 4.793 274 2HG2 VAL 36 HG22 VAL 36 -1.921 0.074 5.284 275 3HG2 VAL 36 HG21 VAL 36 -2.235 0.654 3.648 276 H GLY 37 HN GLY 37 -5.329 3.701 4.656 277 1HA GLY 37 HA2 GLY 37 -6.764 4.187 7.218 278 2HA GLY 37 HA1 GLY 37 -6.792 5.392 5.929 279 H PHE 38 HN PHE 38 -8.489 2.921 7.240 280 HA PHE 38 HA PHE 38 -9.646 1.761 4.798 281 1HB PHE 38 HB2 PHE 38 -11.074 0.583 6.581 282 2HB PHE 38 HB1 PHE 38 -9.346 0.257 6.617 283 HD1 PHE 38 HD2 PHE 38 -12.111 2.099 8.262 284 HD2 PHE 38 HD1 PHE 38 -7.957 1.017 8.448 285 HE1 PHE 38 HE2 PHE 38 -12.005 2.904 10.600 286 HE2 PHE 38 HE1 PHE 38 -7.856 1.817 10.791 287 HZ PHE 38 HZ PHE 38 -9.879 2.764 11.867 288 H GLU 39 HN GLU 39 -10.188 4.199 4.347 289 HA GLU 39 HA GLU 39 -13.034 4.528 4.431 290 1HB GLU 39 HB2 GLU 39 -12.409 4.890 6.859 291 2HB GLU 39 HB1 GLU 39 -11.461 6.285 6.348 292 1HG GLU 39 HG2 GLU 39 -13.904 6.700 5.105 293 2HG GLU 39 HG1 GLU 39 -14.358 6.028 6.672 294 H LYS 40 HN LYS 40 -10.270 6.748 4.875 295 HA LYS 40 HA LYS 40 -11.091 8.478 2.685 296 1HB LYS 40 HB2 LYS 40 -8.727 8.168 4.530 297 2HB LYS 40 HB1 LYS 40 -8.640 9.295 3.175 298 1HG LYS 40 HG2 LYS 40 -11.153 9.729 4.397 299 2HG LYS 40 HG1 LYS 40 -9.977 9.624 5.709 300 1HD LYS 40 HD2 LYS 40 -8.818 11.151 3.582 301 2HD LYS 40 HD1 LYS 40 -10.419 11.807 3.932 302 1HE LYS 40 HE2 LYS 40 -9.869 12.289 6.173 303 2HE LYS 40 HE1 LYS 40 -8.502 11.157 6.175 304 1HZ LYS 40 HZ2 LYS 40 -7.717 12.663 4.208 305 2HZ LYS 40 HZ1 LYS 40 -8.701 13.825 4.962 306 3HZ LYS 40 HZ3 LYS 40 -7.412 13.126 5.814 307 H ARG 41 HN ARG 41 -9.751 5.418 2.756 308 HA ARG 41 HA ARG 41 -8.715 4.078 1.130 309 1HB ARG 41 HB2 ARG 41 -10.480 5.002 -0.255 310 2HB ARG 41 HB1 ARG 41 -9.549 6.474 -0.519 311 1HG ARG 41 HG2 ARG 41 -7.898 4.249 -1.205 312 2HG ARG 41 HG1 ARG 41 -9.450 4.049 -2.017 313 1HD ARG 41 HD2 ARG 41 -7.643 6.492 -2.159 314 2HD ARG 41 HD1 ARG 41 -8.007 5.364 -3.474 315 HE ARG 41 HE ARG 41 -10.503 6.221 -2.544 316 1HH1 ARG 41 HH21 ARG 41 -7.620 7.668 -3.780 317 2HH1 ARG 41 HH22 ARG 41 -8.447 9.012 -4.492 318 1HH2 ARG 41 HH11 ARG 41 -11.588 7.969 -3.474 319 2HH2 ARG 41 HH12 ARG 41 -10.687 9.182 -4.320 320 H GLU 42 HN GLU 42 -6.664 4.684 2.396 321 HA GLU 42 HA GLU 42 -4.733 5.763 0.412 322 1HB GLU 42 HB2 GLU 42 -3.968 7.554 1.922 323 2HB GLU 42 HB1 GLU 42 -5.686 7.740 1.568 324 1HG GLU 42 HG2 GLU 42 -6.017 6.291 3.727 325 2HG GLU 42 HG1 GLU 42 -4.371 6.803 4.104 326 H ALA 43 HN ALA 43 -2.978 4.412 0.521 327 HA ALA 43 HA ALA 43 -2.396 3.090 3.147 328 1HB ALA 43 HB3 ALA 43 -2.733 2.199 0.479 329 2HB ALA 43 HB2 ALA 43 -1.024 1.989 0.858 330 3HB ALA 43 HB1 ALA 43 -2.252 1.231 1.872 331 H VAL 44 HN VAL 44 -0.720 4.056 4.201 332 HA VAL 44 HA VAL 44 1.503 5.251 2.592 333 HB VAL 44 HB VAL 44 0.091 5.879 5.144 334 1HG1 VAL 44 HG11 VAL 44 3.035 6.477 4.710 335 2HG1 VAL 44 HG13 VAL 44 2.037 7.192 5.977 336 3HG1 VAL 44 HG12 VAL 44 2.358 5.457 5.979 337 1HG2 VAL 44 HG22 VAL 44 1.288 7.371 2.816 338 2HG2 VAL 44 HG21 VAL 44 -0.391 7.334 3.357 339 3HG2 VAL 44 HG23 VAL 44 0.817 8.221 4.288 340 H VAL 45 HN VAL 45 3.281 3.929 2.534 341 HA VAL 45 HA VAL 45 3.800 2.240 4.960 342 HB VAL 45 HB VAL 45 3.577 1.542 2.039 343 1HG1 VAL 45 HG13 VAL 45 5.734 0.616 3.145 344 2HG1 VAL 45 HG12 VAL 45 4.641 -0.379 4.104 345 3HG1 VAL 45 HG11 VAL 45 4.658 -0.532 2.351 346 1HG2 VAL 45 HG23 VAL 45 2.076 1.092 4.499 347 2HG2 VAL 45 HG22 VAL 45 1.570 0.876 2.823 348 3HG2 VAL 45 HG21 VAL 45 2.431 -0.417 3.657 349 H THR 46 HN THR 46 5.938 1.543 5.235 350 HA THR 46 HA THR 46 8.081 3.161 3.878 351 HB THR 46 HB THR 46 7.644 2.043 6.658 352 HG1 THR 46 HG1 THR 46 8.467 4.208 7.122 353 1HG2 THR 46 HG23 THR 46 10.274 2.714 5.333 354 2HG2 THR 46 HG22 THR 46 10.073 2.719 7.085 355 3HG2 THR 46 HG21 THR 46 9.829 1.229 6.175 356 H PHE 47 HN PHE 47 10.016 1.844 3.318 357 HA PHE 47 HA PHE 47 10.006 -1.011 3.829 358 1HB PHE 47 HB2 PHE 47 9.421 -1.733 1.579 359 2HB PHE 47 HB1 PHE 47 8.134 -0.688 2.186 360 HD1 PHE 47 HD2 PHE 47 11.149 -0.795 -0.015 361 HD2 PHE 47 HD1 PHE 47 7.671 1.433 1.196 362 HE1 PHE 47 HE2 PHE 47 11.502 0.776 -1.888 363 HE2 PHE 47 HE1 PHE 47 8.028 3.003 -0.687 364 HZ PHE 47 HZ PHE 47 9.942 2.676 -2.226 365 H ASP 48 HN ASP 48 11.570 -2.119 2.238 366 HA ASP 48 HA ASP 48 13.927 -0.332 1.890 367 1HB ASP 48 HB2 ASP 48 13.504 -3.282 2.395 368 2HB ASP 48 HB1 ASP 48 15.052 -2.682 1.801 369 H ASP 49 HN ASP 49 14.355 0.183 -0.223 370 HA ASP 49 HA ASP 49 12.759 -0.904 -2.351 371 1HB ASP 49 HB2 ASP 49 13.803 0.750 -3.613 372 2HB ASP 49 HB1 ASP 49 14.067 1.365 -1.983 373 H THR 50 HN THR 50 15.277 -2.376 -0.754 374 HA THR 50 HA THR 50 16.764 -3.532 -2.958 375 HB THR 50 HB THR 50 17.529 -5.058 -1.084 376 HG1 THR 50 HG1 THR 50 15.885 -5.183 0.289 377 1HG2 THR 50 HG21 THR 50 18.213 -2.510 -1.616 378 2HG2 THR 50 HG23 THR 50 17.616 -2.303 0.030 379 3HG2 THR 50 HG22 THR 50 18.934 -3.429 -0.295 380 H LYS 51 HN LYS 51 13.888 -4.509 -1.116 381 HA LYS 51 HA LYS 51 13.658 -6.901 -2.911 382 1HB LYS 51 HB2 LYS 51 13.761 -6.625 -0.079 383 2HB LYS 51 HB1 LYS 51 12.124 -7.133 -0.496 384 1HG LYS 51 HG2 LYS 51 13.090 -8.970 -1.885 385 2HG LYS 51 HG1 LYS 51 14.699 -8.498 -1.336 386 1HD LYS 51 HD2 LYS 51 14.382 -9.882 0.417 387 2HD LYS 51 HD1 LYS 51 13.213 -8.705 1.017 388 1HE LYS 51 HE2 LYS 51 11.458 -9.870 -0.413 389 2HE LYS 51 HE1 LYS 51 12.653 -11.155 -0.680 390 1HZ LYS 51 HZ1 LYS 51 12.949 -11.079 1.839 391 2HZ LYS 51 HZ3 LYS 51 11.473 -10.245 1.874 392 3HZ LYS 51 HZ2 LYS 51 11.542 -11.821 1.243 393 H ALA 52 HN ALA 52 12.234 -3.982 -1.883 394 HA ALA 52 HA ALA 52 9.758 -4.632 -3.417 395 1HB ALA 52 HB1 ALA 52 10.095 -4.100 -0.550 396 2HB ALA 52 HB3 ALA 52 8.897 -3.051 -1.307 397 3HB ALA 52 HB2 ALA 52 8.721 -4.803 -1.402 398 H SER 53 HN SER 53 8.445 -2.260 -3.195 399 HA SER 53 HA SER 53 10.050 0.112 -3.306 400 1HB SER 53 HB2 SER 53 9.934 0.270 -5.880 401 2HB SER 53 HB1 SER 53 11.123 -0.838 -5.201 402 HG SER 53 HG SER 53 10.080 -2.428 -6.087 403 H VAL 54 HN VAL 54 8.775 1.962 -4.026 404 HA VAL 54 HA VAL 54 6.151 2.165 -3.270 405 HB VAL 54 HB VAL 54 6.124 4.141 -4.651 406 1HG1 VAL 54 HG12 VAL 54 8.047 3.685 -2.843 407 2HG1 VAL 54 HG11 VAL 54 9.060 3.917 -4.267 408 3HG1 VAL 54 HG13 VAL 54 7.955 5.191 -3.756 409 1HG2 VAL 54 HG22 VAL 54 8.252 2.701 -6.244 410 2HG2 VAL 54 HG21 VAL 54 6.663 3.218 -6.807 411 3HG2 VAL 54 HG23 VAL 54 7.902 4.418 -6.438 412 H GLN 55 HN GLN 55 7.338 1.093 -6.446 413 HA GLN 55 HA GLN 55 4.809 0.832 -7.745 414 1HB GLN 55 HB2 GLN 55 7.356 0.630 -8.490 415 2HB GLN 55 HB1 GLN 55 7.076 -1.086 -8.194 416 1HG GLN 55 HG2 GLN 55 6.255 -1.132 -10.304 417 2HG GLN 55 HG1 GLN 55 4.826 -0.360 -9.615 418 1HE2 GLN 55 HE22 GLN 55 7.466 1.885 -11.814 419 2HE2 GLN 55 HE21 GLN 55 7.939 0.361 -11.237 420 H LYS 56 HN LYS 56 6.777 -1.549 -5.951 421 HA LYS 56 HA LYS 56 4.953 -3.735 -6.120 422 1HB LYS 56 HB2 LYS 56 7.478 -3.126 -5.067 423 2HB LYS 56 HB1 LYS 56 6.523 -3.630 -3.673 424 1HG LYS 56 HG2 LYS 56 6.691 -5.777 -4.315 425 2HG LYS 56 HG1 LYS 56 5.927 -5.385 -5.856 426 1HD LYS 56 HD2 LYS 56 8.739 -4.525 -5.655 427 2HD LYS 56 HD1 LYS 56 8.511 -6.274 -5.591 428 1HE LYS 56 HE2 LYS 56 7.515 -6.350 -7.725 429 2HE LYS 56 HE1 LYS 56 7.106 -4.623 -7.695 430 1HZ LYS 56 HZ3 LYS 56 9.915 -5.260 -7.340 431 2HZ LYS 56 HZ2 LYS 56 9.291 -5.591 -8.885 432 3HZ LYS 56 HZ1 LYS 56 9.191 -4.021 -8.244 433 H LEU 57 HN LEU 57 4.985 -0.908 -3.997 434 HA LEU 57 HA LEU 57 3.257 -2.044 -1.957 435 1HB LEU 57 HB2 LEU 57 3.680 0.847 -2.792 436 2HB LEU 57 HB1 LEU 57 3.130 0.279 -1.217 437 HG LEU 57 HG LEU 57 5.825 -0.442 -2.405 438 1HD1 LEU 57 HD13 LEU 57 5.035 2.063 -1.512 439 2HD1 LEU 57 HD12 LEU 57 5.799 1.347 -0.095 440 3HD1 LEU 57 HD11 LEU 57 6.696 1.482 -1.608 441 1HD2 LEU 57 HD23 LEU 57 4.303 -1.291 -0.087 442 2HD2 LEU 57 HD22 LEU 57 5.834 -1.917 -0.699 443 3HD2 LEU 57 HD21 LEU 57 5.823 -0.542 0.405 444 H THR 58 HN THR 58 2.700 0.226 -4.650 445 HA THR 58 HA THR 58 -0.169 0.235 -4.459 446 HB THR 58 HB THR 58 1.696 0.756 -6.803 447 HG1 THR 58 HG1 THR 58 2.143 1.977 -4.900 448 1HG2 THR 58 HG22 THR 58 -0.917 0.525 -7.072 449 2HG2 THR 58 HG21 THR 58 -0.929 2.132 -6.345 450 3HG2 THR 58 HG23 THR 58 -0.063 1.853 -7.857 451 H LYS 59 HN LYS 59 2.166 -1.990 -5.706 452 HA LYS 59 HA LYS 59 0.318 -3.362 -7.531 453 1HB LYS 59 HB2 LYS 59 3.126 -3.270 -6.956 454 2HB LYS 59 HB1 LYS 59 2.588 -4.940 -6.797 455 1HG LYS 59 HG2 LYS 59 1.435 -3.579 -9.124 456 2HG LYS 59 HG1 LYS 59 3.195 -3.688 -9.185 457 1HD LYS 59 HD2 LYS 59 2.533 -5.719 -10.154 458 2HD LYS 59 HD1 LYS 59 2.817 -6.175 -8.474 459 1HE LYS 59 HE2 LYS 59 0.598 -6.586 -8.082 460 2HE LYS 59 HE1 LYS 59 0.074 -5.202 -9.061 461 1HZ LYS 59 HZ1 LYS 59 1.403 -7.115 -10.680 462 2HZ LYS 59 HZ3 LYS 59 0.135 -7.863 -9.838 463 3HZ LYS 59 HZ2 LYS 59 -0.180 -6.514 -10.821 464 H ALA 60 HN ALA 60 1.290 -3.499 -4.166 465 HA ALA 60 HA ALA 60 0.358 -6.210 -3.677 466 1HB ALA 60 HB1 ALA 60 1.966 -4.645 -2.331 467 2HB ALA 60 HB3 ALA 60 0.485 -3.971 -1.652 468 3HB ALA 60 HB2 ALA 60 0.863 -5.678 -1.422 469 H THR 61 HN THR 61 -1.068 -2.955 -3.339 470 HA THR 61 HA THR 61 -3.642 -4.002 -2.377 471 HB THR 61 HB THR 61 -2.699 -1.733 -1.915 472 HG1 THR 61 HG1 THR 61 -5.090 -2.369 -2.283 473 1HG2 THR 61 HG23 THR 61 -1.762 -1.497 -4.269 474 2HG2 THR 61 HG22 THR 61 -3.402 -1.106 -4.784 475 3HG2 THR 61 HG21 THR 61 -2.571 -0.070 -3.624 476 H ALA 62 HN ALA 62 -2.209 -2.934 -5.432 477 HA ALA 62 HA ALA 62 -4.527 -3.120 -7.073 478 1HB ALA 62 HB2 ALA 62 -1.547 -3.371 -7.455 479 2HB ALA 62 HB1 ALA 62 -2.632 -3.652 -8.816 480 3HB ALA 62 HB3 ALA 62 -2.621 -2.086 -8.006 481 H ASP 63 HN ASP 63 -2.299 -5.496 -5.744 482 HA ASP 63 HA ASP 63 -3.435 -7.704 -7.339 483 1HB ASP 63 HB2 ASP 63 -0.995 -7.322 -6.465 484 2HB ASP 63 HB1 ASP 63 -1.625 -7.945 -4.939 485 H ALA 64 HN ALA 64 -3.958 -6.105 -4.292 486 HA ALA 64 HA ALA 64 -5.268 -8.301 -2.923 487 1HB ALA 64 HB2 ALA 64 -5.220 -5.281 -2.678 488 2HB ALA 64 HB1 ALA 64 -6.168 -6.288 -1.583 489 3HB ALA 64 HB3 ALA 64 -4.414 -6.461 -1.644 490 H GLY 65 HN GLY 65 -6.082 -6.098 -5.444 491 1HA GLY 65 HA2 GLY 65 -8.072 -6.759 -6.814 492 2HA GLY 65 HA1 GLY 65 -8.921 -6.988 -5.288 493 H TYR 66 HN TYR 66 -6.726 -4.320 -5.600 494 HA TYR 66 HA TYR 66 -9.021 -2.459 -6.056 495 1HB TYR 66 HB2 TYR 66 -6.916 -2.143 -3.897 496 2HB TYR 66 HB1 TYR 66 -8.418 -1.236 -4.082 497 HD1 TYR 66 HD1 TYR 66 -10.516 -3.002 -4.468 498 HD2 TYR 66 HD2 TYR 66 -6.992 -3.667 -2.090 499 HE1 TYR 66 HE1 TYR 66 -11.748 -4.670 -3.109 500 HE2 TYR 66 HE2 TYR 66 -8.227 -5.337 -0.741 501 HH TYR 66 HH TYR 66 -10.195 -6.822 -0.999 502 HA PRO 67 HA PRO 67 -5.623 -1.286 -8.898 503 1HB PRO 67 HB2 PRO 67 -7.575 0.550 -10.004 504 2HB PRO 67 HB1 PRO 67 -6.878 -0.891 -10.750 505 1HG PRO 67 HG2 PRO 67 -9.535 -0.566 -9.755 506 2HG PRO 67 HG1 PRO 67 -8.808 -2.029 -10.426 507 1HD PRO 67 HD2 PRO 67 -9.513 -1.507 -7.678 508 2HD PRO 67 HD1 PRO 67 -8.768 -2.976 -8.354 509 H SER 68 HN SER 68 -4.420 -0.127 -7.292 510 HA SER 68 HA SER 68 -5.412 2.616 -6.611 511 1HB SER 68 HB2 SER 68 -4.353 2.312 -4.572 512 2HB SER 68 HB1 SER 68 -4.721 0.636 -4.969 513 HG SER 68 HG SER 68 -2.553 0.795 -6.096 514 H SER 69 HN SER 69 -3.006 3.709 -5.807 515 HA SER 69 HA SER 69 -1.054 3.544 -8.009 516 1HB SER 69 HB2 SER 69 -1.609 5.568 -8.992 517 2HB SER 69 HB1 SER 69 -3.208 5.113 -8.412 518 HG SER 69 HG SER 69 -2.880 7.124 -7.626 519 H VAL 70 HN VAL 70 0.482 5.693 -7.487 520 HA VAL 70 HA VAL 70 0.812 5.792 -4.523 521 HB VAL 70 HB VAL 70 2.152 4.084 -5.862 522 1HG1 VAL 70 HG12 VAL 70 2.617 6.048 -7.600 523 2HG1 VAL 70 HG11 VAL 70 4.002 6.335 -6.546 524 3HG1 VAL 70 HG13 VAL 70 3.803 4.770 -7.335 525 1HG2 VAL 70 HG22 VAL 70 2.853 5.748 -3.667 526 2HG2 VAL 70 HG21 VAL 70 3.494 4.149 -4.042 527 3HG2 VAL 70 HG23 VAL 70 4.301 5.590 -4.660 528 H LYS 71 HN LYS 71 1.997 7.687 -3.748 529 HA LYS 71 HA LYS 71 2.694 9.752 -5.769 530 1HB LYS 71 HB2 LYS 71 1.001 11.338 -4.796 531 2HB LYS 71 HB1 LYS 71 0.288 9.964 -5.645 532 1HG LYS 71 HG2 LYS 71 0.569 8.948 -3.124 533 2HG LYS 71 HG1 LYS 71 0.215 10.642 -2.777 534 1HD LYS 71 HD2 LYS 71 -1.440 9.342 -4.875 535 2HD LYS 71 HD1 LYS 71 -1.718 8.816 -3.214 536 1HE LYS 71 HE2 LYS 71 -3.196 10.664 -3.483 537 2HE LYS 71 HE1 LYS 71 -1.790 11.370 -2.660 538 1HZ LYS 71 HZ1 LYS 71 -2.100 11.246 -5.611 539 2HZ LYS 71 HZ3 LYS 71 -2.482 12.611 -4.682 540 3HZ LYS 71 HZ2 LYS 71 -0.880 12.049 -4.744 541 H GLN 72 HN GLN 72 4.474 8.723 -4.009 542 HA GLN 72 HA GLN 72 5.525 10.962 -2.638 543 1HB GLN 72 HB2 GLN 72 3.363 9.524 -1.302 544 2HB GLN 72 HB1 GLN 72 4.819 9.602 -0.308 545 1HG GLN 72 HG2 GLN 72 4.495 12.150 -1.526 546 2HG GLN 72 HG1 GLN 72 2.927 11.687 -0.866 547 1HE2 GLN 72 HE22 GLN 72 5.017 13.312 1.828 548 2HE2 GLN 72 HE21 GLN 72 4.543 13.803 0.274 No H/Q in entry = 548 Start of MODEL 6 1 1H ALA 1 HT2 ALA 1 18.348 2.589 1.588 2 2H ALA 1 HT1 ALA 1 18.637 0.919 1.468 3 3H ALA 1 HT3 ALA 1 19.105 1.952 0.207 4 HA ALA 1 HA ALA 1 16.857 2.394 -0.403 5 1HB ALA 1 HB3 ALA 1 18.185 0.091 -0.740 6 2HB ALA 1 HB2 ALA 1 16.823 -0.537 0.188 7 3HB ALA 1 HB1 ALA 1 16.539 0.299 -1.339 8 H THR 2 HN THR 2 15.687 3.481 1.323 9 HA THR 2 HA THR 2 13.829 1.736 2.807 10 HB THR 2 HB THR 2 14.463 3.781 4.557 11 HG1 THR 2 HG1 THR 2 16.345 4.448 3.934 12 1HG2 THR 2 HG22 THR 2 15.048 0.892 4.307 13 2HG2 THR 2 HG21 THR 2 16.031 1.773 5.477 14 3HG2 THR 2 HG23 THR 2 14.274 1.773 5.625 15 H GLN 3 HN GLN 3 12.365 2.583 1.172 16 HA GLN 3 HA GLN 3 11.839 5.528 1.388 17 1HB GLN 3 HB2 GLN 3 10.992 3.686 -0.846 18 2HB GLN 3 HB1 GLN 3 11.209 5.435 -0.895 19 1HG GLN 3 HG2 GLN 3 13.415 3.386 -0.528 20 2HG GLN 3 HG1 GLN 3 13.092 4.303 -2.000 21 1HE2 GLN 3 HE22 GLN 3 15.744 6.142 -0.145 22 2HE2 GLN 3 HE21 GLN 3 15.613 4.621 -0.887 23 H THR 4 HN THR 4 9.790 6.244 1.819 24 HA THR 4 HA THR 4 7.649 4.210 2.182 25 HB THR 4 HB THR 4 7.810 4.781 4.350 26 HG1 THR 4 HG1 THR 4 6.221 6.095 4.568 27 1HG2 THR 4 HG22 THR 4 9.381 7.224 3.538 28 2HG2 THR 4 HG21 THR 4 9.149 6.672 5.197 29 3HG2 THR 4 HG23 THR 4 10.055 5.678 4.057 30 H VAL 5 HN VAL 5 5.976 4.623 0.841 31 HA VAL 5 HA VAL 5 5.518 7.445 -0.103 32 HB VAL 5 HB VAL 5 4.723 6.402 -2.151 33 1HG1 VAL 5 HG13 VAL 5 7.308 6.491 -1.408 34 2HG1 VAL 5 HG12 VAL 5 7.146 4.749 -1.630 35 3HG1 VAL 5 HG11 VAL 5 6.799 5.844 -2.968 36 1HG2 VAL 5 HG22 VAL 5 3.711 4.419 -0.942 37 2HG2 VAL 5 HG21 VAL 5 4.580 4.010 -2.421 38 3HG2 VAL 5 HG23 VAL 5 5.333 3.734 -0.851 39 H THR 6 HN THR 6 3.172 7.742 -0.727 40 HA THR 6 HA THR 6 1.421 6.476 1.330 41 HB THR 6 HB THR 6 1.822 8.990 1.308 42 HG1 THR 6 HG1 THR 6 -0.648 9.312 1.005 43 1HG2 THR 6 HG23 THR 6 1.502 8.669 -1.424 44 2HG2 THR 6 HG22 THR 6 -0.020 9.406 -0.924 45 3HG2 THR 6 HG21 THR 6 1.509 10.209 -0.565 46 H LEU 7 HN LEU 7 -0.708 5.765 0.518 47 HA LEU 7 HA LEU 7 -0.730 5.467 -2.462 48 1HB LEU 7 HB2 LEU 7 -0.443 3.481 -0.391 49 2HB LEU 7 HB1 LEU 7 -1.932 3.184 -1.276 50 HG LEU 7 HG LEU 7 -0.729 3.158 -3.380 51 1HD1 LEU 7 HD11 LEU 7 1.608 3.982 -1.661 52 2HD1 LEU 7 HD13 LEU 7 1.810 3.317 -3.281 53 3HD1 LEU 7 HD12 LEU 7 0.932 4.823 -3.049 54 1HD2 LEU 7 HD21 LEU 7 -0.659 1.127 -1.727 55 2HD2 LEU 7 HD23 LEU 7 0.426 1.114 -3.118 56 3HD2 LEU 7 HD22 LEU 7 1.038 1.563 -1.526 57 H ALA 8 HN ALA 8 -2.825 5.070 -3.347 58 HA ALA 8 HA ALA 8 -5.092 6.031 -1.622 59 1HB ALA 8 HB3 ALA 8 -3.872 7.440 -3.599 60 2HB ALA 8 HB2 ALA 8 -5.102 6.593 -4.538 61 3HB ALA 8 HB1 ALA 8 -5.577 7.631 -3.194 62 H VAL 9 HN VAL 9 -6.701 4.501 -1.534 63 HA VAL 9 HA VAL 9 -6.841 2.481 -3.758 64 HB VAL 9 HB VAL 9 -7.973 2.270 -0.961 65 1HG1 VAL 9 HG11 VAL 9 -8.583 0.649 -2.850 66 2HG1 VAL 9 HG13 VAL 9 -6.904 0.112 -2.784 67 3HG1 VAL 9 HG12 VAL 9 -7.945 -0.073 -1.372 68 1HG2 VAL 9 HG23 VAL 9 -5.158 1.759 -1.949 69 2HG2 VAL 9 HG22 VAL 9 -5.664 2.752 -0.582 70 3HG2 VAL 9 HG21 VAL 9 -5.800 0.996 -0.495 71 HA PRO 10 HA PRO 10 -10.808 4.944 -3.964 72 1HB PRO 10 HB2 PRO 10 -10.660 5.099 -6.760 73 2HB PRO 10 HB1 PRO 10 -10.181 6.367 -5.626 74 1HG PRO 10 HG2 PRO 10 -8.491 4.651 -7.286 75 2HG PRO 10 HG1 PRO 10 -8.064 6.123 -6.409 76 1HD PRO 10 HD2 PRO 10 -7.404 3.432 -5.689 77 2HD PRO 10 HD1 PRO 10 -7.104 4.909 -4.746 78 H GLY 11 HN GLY 11 -9.535 2.128 -5.649 79 1HA GLY 11 HA2 GLY 11 -11.709 1.181 -7.093 80 2HA GLY 11 HA1 GLY 11 -10.621 0.113 -6.204 81 H MET 12 HN MET 12 -11.138 0.679 -3.600 82 HA MET 12 HA MET 12 -14.083 0.536 -3.213 83 1HB MET 12 HB2 MET 12 -12.034 -1.589 -2.534 84 2HB MET 12 HB1 MET 12 -13.671 -1.584 -1.875 85 1HG MET 12 HG2 MET 12 -12.993 -1.600 -4.832 86 2HG MET 12 HG1 MET 12 -13.483 -3.016 -3.902 87 1HE MET 12 HE2 MET 12 -15.486 -2.860 -2.267 88 2HE MET 12 HE1 MET 12 -15.545 -1.143 -1.878 89 3HE MET 12 HE3 MET 12 -16.965 -1.948 -2.558 90 H THR 13 HN THR 13 -14.663 0.818 -0.912 91 HA THR 13 HA THR 13 -12.722 1.275 1.156 92 HB THR 13 HB THR 13 -11.998 3.140 -0.133 93 HG1 THR 13 HG1 THR 13 -13.296 4.914 1.102 94 1HG2 THR 13 HG23 THR 13 -13.890 3.136 -1.718 95 2HG2 THR 13 HG22 THR 13 -14.926 3.843 -0.479 96 3HG2 THR 13 HG21 THR 13 -13.565 4.763 -1.119 97 H CYS 14 HN CYS 14 -14.067 0.615 2.815 98 HA CYS 14 HA CYS 14 -16.364 2.253 3.521 99 1HB CYS 14 HB2 CYS 14 -18.106 0.771 2.956 100 2HB CYS 14 HB1 CYS 14 -17.029 0.664 1.569 101 H ALA 15 HN ALA 15 -14.759 -0.917 4.000 102 HA ALA 15 HA ALA 15 -14.262 -0.456 6.782 103 1HB ALA 15 HB1 ALA 15 -16.775 -1.976 6.032 104 2HB ALA 15 HB3 ALA 15 -16.054 -2.037 7.640 105 3HB ALA 15 HB2 ALA 15 -16.665 -0.509 7.006 106 H ALA 16 HN ALA 16 -13.119 -1.765 4.325 107 HA ALA 16 HA ALA 16 -11.782 -3.971 5.554 108 1HB ALA 16 HB1 ALA 16 -14.045 -4.948 5.419 109 2HB ALA 16 HB3 ALA 16 -14.074 -4.645 3.682 110 3HB ALA 16 HB2 ALA 16 -12.934 -5.809 4.356 111 H CYS 17 HN CYS 17 -12.909 -2.483 2.526 112 HA CYS 17 HA CYS 17 -10.945 -3.752 0.837 113 1HB CYS 17 HB2 CYS 17 -12.438 -1.141 0.456 114 2HB CYS 17 HB1 CYS 17 -11.726 -2.138 -0.805 115 HA PRO 18 HA PRO 18 -8.397 0.276 1.411 116 1HB PRO 18 HB2 PRO 18 -9.005 1.631 3.788 117 2HB PRO 18 HB1 PRO 18 -9.534 2.114 2.175 118 1HG PRO 18 HG2 PRO 18 -11.118 0.964 4.355 119 2HG PRO 18 HG1 PRO 18 -11.668 1.765 2.880 120 1HD PRO 18 HD2 PRO 18 -11.703 -1.034 3.458 121 2HD PRO 18 HD1 PRO 18 -12.139 -0.254 1.926 122 H ILE 19 HN ILE 19 -9.617 -0.995 4.485 123 HA ILE 19 HA ILE 19 -7.238 -1.267 5.971 124 HB ILE 19 HB ILE 19 -9.664 -3.086 5.769 125 1HG1 ILE 19 HG12 ILE 19 -9.702 -1.110 7.892 126 2HG1 ILE 19 HG11 ILE 19 -9.552 -0.335 6.315 127 1HG2 ILE 19 HG21 ILE 19 -7.448 -2.780 7.723 128 2HG2 ILE 19 HG23 ILE 19 -9.068 -3.010 8.383 129 3HG2 ILE 19 HG22 ILE 19 -8.383 -4.211 7.289 130 1HD1 ILE 19 HD13 ILE 19 -11.554 -2.540 6.696 131 2HD1 ILE 19 HD12 ILE 19 -11.939 -0.910 7.245 132 3HD1 ILE 19 HD11 ILE 19 -11.574 -1.203 5.545 133 H THR 20 HN THR 20 -8.571 -3.343 3.393 134 HA THR 20 HA THR 20 -6.825 -5.598 3.794 135 HB THR 20 HB THR 20 -8.364 -4.521 1.400 136 HG1 THR 20 HG1 THR 20 -8.966 -6.853 2.822 137 1HG2 THR 20 HG22 THR 20 -6.668 -6.971 1.773 138 2HG2 THR 20 HG21 THR 20 -8.095 -7.053 0.740 139 3HG2 THR 20 HG23 THR 20 -6.804 -5.910 0.370 140 H VAL 21 HN VAL 21 -6.545 -2.535 2.170 141 HA VAL 21 HA VAL 21 -4.299 -3.159 0.520 142 HB VAL 21 HB VAL 21 -5.133 -0.519 1.764 143 1HG1 VAL 21 HG11 VAL 21 -2.924 -1.060 0.264 144 2HG1 VAL 21 HG13 VAL 21 -4.094 -0.687 -1.001 145 3HG1 VAL 21 HG12 VAL 21 -3.752 0.497 0.259 146 1HG2 VAL 21 HG23 VAL 21 -6.623 -2.246 0.079 147 2HG2 VAL 21 HG22 VAL 21 -7.003 -0.579 0.509 148 3HG2 VAL 21 HG21 VAL 21 -6.055 -0.921 -0.938 149 H LYS 22 HN LYS 22 -4.740 -2.195 3.880 150 HA LYS 22 HA LYS 22 -1.991 -1.536 4.404 151 1HB LYS 22 HB2 LYS 22 -3.430 -0.741 6.038 152 2HB LYS 22 HB1 LYS 22 -4.490 -2.142 5.933 153 1HG LYS 22 HG2 LYS 22 -3.310 -3.300 7.507 154 2HG LYS 22 HG1 LYS 22 -1.758 -2.692 6.933 155 1HD LYS 22 HD2 LYS 22 -2.736 -0.397 7.904 156 2HD LYS 22 HD1 LYS 22 -3.628 -1.515 8.936 157 1HE LYS 22 HE2 LYS 22 -1.032 -2.547 8.934 158 2HE LYS 22 HE1 LYS 22 -0.803 -0.791 9.037 159 1HZ LYS 22 HZ3 LYS 22 -2.735 -2.333 10.687 160 2HZ LYS 22 HZ2 LYS 22 -1.202 -1.835 11.227 161 3HZ LYS 22 HZ1 LYS 22 -2.381 -0.680 10.822 162 H LYS 23 HN LYS 23 -3.962 -4.470 4.678 163 HA LYS 23 HA LYS 23 -1.954 -6.127 5.811 164 1HB LYS 23 HB2 LYS 23 -4.263 -6.798 5.788 165 2HB LYS 23 HB1 LYS 23 -4.339 -6.644 4.032 166 1HG LYS 23 HG2 LYS 23 -2.203 -8.445 4.833 167 2HG LYS 23 HG1 LYS 23 -3.759 -8.977 5.471 168 1HD LYS 23 HD2 LYS 23 -4.524 -8.330 2.970 169 2HD LYS 23 HD1 LYS 23 -2.844 -8.761 2.648 170 1HE LYS 23 HE2 LYS 23 -3.136 -10.978 3.426 171 2HE LYS 23 HE1 LYS 23 -4.631 -10.567 4.290 172 1HZ LYS 23 HZ3 LYS 23 -4.330 -10.261 1.356 173 2HZ LYS 23 HZ2 LYS 23 -4.948 -11.674 2.070 174 3HZ LYS 23 HZ1 LYS 23 -5.759 -10.195 2.266 175 H ALA 24 HN ALA 24 -2.734 -5.302 2.505 176 HA ALA 24 HA ALA 24 -1.080 -7.108 1.109 177 1HB ALA 24 HB1 ALA 24 -2.875 -5.196 0.493 178 2HB ALA 24 HB3 ALA 24 -1.389 -4.331 0.101 179 3HB ALA 24 HB2 ALA 24 -1.755 -5.861 -0.696 180 H LEU 25 HN LEU 25 -0.316 -3.668 1.869 181 HA LEU 25 HA LEU 25 2.410 -3.810 1.015 182 1HB LEU 25 HB2 LEU 25 1.330 -2.065 3.237 183 2HB LEU 25 HB1 LEU 25 2.606 -1.680 2.084 184 HG LEU 25 HG LEU 25 0.204 -2.358 0.651 185 1HD1 LEU 25 HD13 LEU 25 -0.670 -1.557 2.978 186 2HD1 LEU 25 HD12 LEU 25 -0.144 0.039 2.440 187 3HD1 LEU 25 HD11 LEU 25 -1.366 -0.843 1.523 188 1HD2 LEU 25 HD23 LEU 25 2.287 -0.317 0.769 189 2HD2 LEU 25 HD22 LEU 25 1.354 -0.876 -0.619 190 3HD2 LEU 25 HD21 LEU 25 0.706 0.387 0.428 191 H SER 26 HN SER 26 0.854 -4.517 4.094 192 HA SER 26 HA SER 26 3.196 -4.712 5.721 193 1HB SER 26 HB2 SER 26 0.378 -5.124 5.885 194 2HB SER 26 HB1 SER 26 1.149 -6.592 6.477 195 HG SER 26 HG SER 26 2.002 -5.502 8.101 196 H LYS 27 HN LYS 27 1.746 -6.800 3.332 197 HA LYS 27 HA LYS 27 3.842 -8.829 3.937 198 1HB LYS 27 HB2 LYS 27 2.191 -10.517 3.255 199 2HB LYS 27 HB1 LYS 27 1.520 -9.506 4.536 200 1HG LYS 27 HG2 LYS 27 -0.229 -9.509 2.990 201 2HG LYS 27 HG1 LYS 27 0.643 -8.047 2.529 202 1HD LYS 27 HD2 LYS 27 1.179 -8.891 0.517 203 2HD LYS 27 HD1 LYS 27 1.750 -10.399 1.231 204 1HE LYS 27 HE2 LYS 27 -1.212 -9.910 1.103 205 2HE LYS 27 HE1 LYS 27 -0.359 -10.438 -0.362 206 1HZ LYS 27 HZ3 LYS 27 -0.068 -11.743 2.290 207 2HZ LYS 27 HZ2 LYS 27 -1.107 -12.307 1.069 208 3HZ LYS 27 HZ1 LYS 27 0.572 -12.279 0.814 209 H VAL 28 HN VAL 28 3.382 -6.453 1.893 210 HA VAL 28 HA VAL 28 3.161 -7.534 -0.717 211 HB VAL 28 HB VAL 28 2.994 -5.184 -0.393 212 1HG1 VAL 28 HG13 VAL 28 4.930 -5.555 1.578 213 2HG1 VAL 28 HG12 VAL 28 5.747 -4.577 0.361 214 3HG1 VAL 28 HG11 VAL 28 4.242 -4.011 1.080 215 1HG2 VAL 28 HG22 VAL 28 4.730 -6.269 -2.256 216 2HG2 VAL 28 HG21 VAL 28 4.131 -4.610 -2.266 217 3HG2 VAL 28 HG23 VAL 28 5.690 -4.981 -1.529 218 H GLU 29 HN GLU 29 6.291 -6.569 0.825 219 HA GLU 29 HA GLU 29 7.586 -9.024 -0.086 220 1HB GLU 29 HB2 GLU 29 7.455 -6.585 -1.707 221 2HB GLU 29 HB1 GLU 29 9.110 -7.136 -1.440 222 1HG GLU 29 HG2 GLU 29 8.346 -9.447 -2.137 223 2HG GLU 29 HG1 GLU 29 6.818 -8.717 -2.625 224 H GLY 30 HN GLY 30 9.152 -5.864 -0.032 225 1HA GLY 30 HA2 GLY 30 10.729 -6.763 2.323 226 2HA GLY 30 HA1 GLY 30 11.194 -5.479 1.209 227 H VAL 31 HN VAL 31 7.946 -5.153 1.937 228 HA VAL 31 HA VAL 31 7.944 -2.653 3.094 229 HB VAL 31 HB VAL 31 5.942 -3.915 2.501 230 1HG1 VAL 31 HG11 VAL 31 7.138 -5.979 3.891 231 2HG1 VAL 31 HG13 VAL 31 5.836 -5.490 4.976 232 3HG1 VAL 31 HG12 VAL 31 5.469 -5.975 3.320 233 1HG2 VAL 31 HG23 VAL 31 6.306 -2.599 5.099 234 2HG2 VAL 31 HG22 VAL 31 5.045 -2.362 3.888 235 3HG2 VAL 31 HG21 VAL 31 4.912 -3.679 5.055 236 H SER 32 HN SER 32 8.619 -1.770 4.938 237 HA SER 32 HA SER 32 9.563 -3.567 7.130 238 1HB SER 32 HB2 SER 32 11.160 -2.022 5.880 239 2HB SER 32 HB1 SER 32 10.269 -0.671 6.575 240 HG SER 32 HG SER 32 11.797 -1.018 8.052 241 H LYS 33 HN LYS 33 7.199 -1.295 6.225 242 HA LYS 33 HA LYS 33 5.962 -1.391 8.880 243 1HB LYS 33 HB2 LYS 33 7.295 0.311 9.640 244 2HB LYS 33 HB1 LYS 33 7.703 0.850 8.015 245 1HG LYS 33 HG2 LYS 33 5.717 2.130 7.819 246 2HG LYS 33 HG1 LYS 33 4.947 1.295 9.168 247 1HD LYS 33 HD2 LYS 33 6.030 2.555 10.746 248 2HD LYS 33 HD1 LYS 33 7.497 2.695 9.776 249 1HE LYS 33 HE2 LYS 33 6.780 4.611 8.737 250 2HE LYS 33 HE1 LYS 33 5.092 4.065 8.682 251 1HZ LYS 33 HZ2 LYS 33 6.189 4.443 11.339 252 2HZ LYS 33 HZ1 LYS 33 6.004 5.870 10.437 253 3HZ LYS 33 HZ3 LYS 33 4.664 4.871 10.722 254 H VAL 34 HN VAL 34 3.826 -0.273 8.848 255 HA VAL 34 HA VAL 34 2.876 0.667 6.200 256 HB VAL 34 HB VAL 34 1.768 -1.756 7.659 257 1HG1 VAL 34 HG12 VAL 34 0.429 0.016 6.008 258 2HG1 VAL 34 HG11 VAL 34 0.948 -1.243 4.887 259 3HG1 VAL 34 HG13 VAL 34 -0.035 -1.662 6.290 260 1HG2 VAL 34 HG21 VAL 34 3.496 -1.408 5.206 261 2HG2 VAL 34 HG23 VAL 34 3.770 -2.454 6.599 262 3HG2 VAL 34 HG22 VAL 34 2.507 -2.849 5.434 263 H ASP 35 HN ASP 35 0.900 1.842 6.356 264 HA ASP 35 HA ASP 35 -0.658 1.988 8.809 265 1HB ASP 35 HB2 ASP 35 0.045 4.469 9.116 266 2HB ASP 35 HB1 ASP 35 1.187 3.239 9.658 267 H VAL 36 HN VAL 36 -2.436 1.773 7.346 268 HA VAL 36 HA VAL 36 -2.686 3.874 5.236 269 HB VAL 36 HB VAL 36 -4.013 2.294 4.082 270 1HG1 VAL 36 HG11 VAL 36 -1.981 0.722 5.693 271 2HG1 VAL 36 HG13 VAL 36 -2.734 0.169 4.198 272 3HG1 VAL 36 HG12 VAL 36 -1.673 1.577 4.182 273 1HG2 VAL 36 HG23 VAL 36 -4.379 0.979 6.787 274 2HG2 VAL 36 HG22 VAL 36 -5.620 1.700 5.762 275 3HG2 VAL 36 HG21 VAL 36 -4.840 0.196 5.275 276 H GLY 37 HN GLY 37 -5.437 3.558 4.859 277 1HA GLY 37 HA2 GLY 37 -6.735 4.387 7.390 278 2HA GLY 37 HA1 GLY 37 -6.794 5.503 6.020 279 H PHE 38 HN PHE 38 -8.426 3.027 7.501 280 HA PHE 38 HA PHE 38 -9.443 1.354 5.508 281 1HB PHE 38 HB2 PHE 38 -11.012 2.570 7.799 282 2HB PHE 38 HB1 PHE 38 -11.218 0.967 7.095 283 HD1 PHE 38 HD1 PHE 38 -7.969 0.826 6.847 284 HD2 PHE 38 HD2 PHE 38 -10.800 1.406 10.026 285 HE1 PHE 38 HE1 PHE 38 -6.332 -0.084 8.471 286 HE2 PHE 38 HE2 PHE 38 -9.162 0.494 11.648 287 HZ PHE 38 HZ PHE 38 -6.929 -0.251 10.871 288 H GLU 39 HN GLU 39 -12.218 2.963 6.485 289 HA GLU 39 HA GLU 39 -13.391 3.538 4.103 290 1HB GLU 39 HB2 GLU 39 -13.315 5.303 6.572 291 2HB GLU 39 HB1 GLU 39 -14.553 5.383 5.318 292 1HG GLU 39 HG2 GLU 39 -15.609 3.523 6.075 293 2HG GLU 39 HG1 GLU 39 -14.091 2.669 6.354 294 H LYS 40 HN LYS 40 -10.747 5.387 5.535 295 HA LYS 40 HA LYS 40 -10.901 7.490 3.461 296 1HB LYS 40 HB2 LYS 40 -9.305 6.901 5.942 297 2HB LYS 40 HB1 LYS 40 -8.709 8.106 4.799 298 1HG LYS 40 HG2 LYS 40 -11.112 9.089 4.917 299 2HG LYS 40 HG1 LYS 40 -11.269 8.128 6.388 300 1HD LYS 40 HD2 LYS 40 -10.477 10.176 7.208 301 2HD LYS 40 HD1 LYS 40 -8.997 9.228 7.057 302 1HE LYS 40 HE2 LYS 40 -8.209 10.493 5.301 303 2HE LYS 40 HE1 LYS 40 -9.835 10.777 4.647 304 1HZ LYS 40 HZ3 LYS 40 -9.138 11.863 7.287 305 2HZ LYS 40 HZ2 LYS 40 -8.599 12.681 5.898 306 3HZ LYS 40 HZ1 LYS 40 -10.261 12.437 6.153 307 H ARG 41 HN ARG 41 -10.567 5.061 2.246 308 HA ARG 41 HA ARG 41 -8.523 3.588 1.617 309 1HB ARG 41 HB2 ARG 41 -8.872 4.010 -0.758 310 2HB ARG 41 HB1 ARG 41 -10.409 4.154 0.095 311 1HG ARG 41 HG2 ARG 41 -10.634 6.250 -0.687 312 2HG ARG 41 HG1 ARG 41 -9.160 6.713 0.162 313 1HD ARG 41 HD2 ARG 41 -7.799 6.003 -1.774 314 2HD ARG 41 HD1 ARG 41 -9.272 5.504 -2.627 315 HE ARG 41 HE ARG 41 -9.747 8.138 -1.789 316 1HH1 ARG 41 HH21 ARG 41 -7.458 6.440 -3.739 317 2HH1 ARG 41 HH22 ARG 41 -7.133 7.796 -4.765 318 1HH2 ARG 41 HH11 ARG 41 -9.333 9.911 -3.117 319 2HH2 ARG 41 HH12 ARG 41 -8.193 9.762 -4.412 320 H GLU 42 HN GLU 42 -6.618 4.431 2.751 321 HA GLU 42 HA GLU 42 -4.830 5.896 0.895 322 1HB GLU 42 HB2 GLU 42 -5.960 7.677 2.144 323 2HB GLU 42 HB1 GLU 42 -5.596 6.873 3.671 324 1HG GLU 42 HG2 GLU 42 -3.102 7.036 2.759 325 2HG GLU 42 HG1 GLU 42 -3.774 8.386 1.844 326 H ALA 43 HN ALA 43 -3.143 4.390 0.897 327 HA ALA 43 HA ALA 43 -2.414 3.159 3.519 328 1HB ALA 43 HB3 ALA 43 -2.805 2.250 0.813 329 2HB ALA 43 HB2 ALA 43 -1.172 1.850 1.344 330 3HB ALA 43 HB1 ALA 43 -2.563 1.290 2.272 331 H VAL 44 HN VAL 44 -0.654 4.125 4.451 332 HA VAL 44 HA VAL 44 1.493 5.183 2.654 333 HB VAL 44 HB VAL 44 0.546 5.793 5.457 334 1HG1 VAL 44 HG11 VAL 44 3.241 5.721 4.744 335 2HG1 VAL 44 HG13 VAL 44 2.796 7.410 4.517 336 3HG1 VAL 44 HG12 VAL 44 2.556 6.639 6.083 337 1HG2 VAL 44 HG23 VAL 44 -0.051 6.884 2.986 338 2HG2 VAL 44 HG22 VAL 44 -0.287 7.686 4.539 339 3HG2 VAL 44 HG21 VAL 44 1.185 7.976 3.611 340 H VAL 45 HN VAL 45 3.210 3.821 2.486 341 HA VAL 45 HA VAL 45 3.772 2.060 4.858 342 HB VAL 45 HB VAL 45 3.473 1.486 1.920 343 1HG1 VAL 45 HG12 VAL 45 5.056 -0.054 3.971 344 2HG1 VAL 45 HG11 VAL 45 4.285 -0.876 2.616 345 3HG1 VAL 45 HG13 VAL 45 5.506 0.361 2.319 346 1HG2 VAL 45 HG23 VAL 45 1.708 1.292 3.935 347 2HG2 VAL 45 HG22 VAL 45 1.721 0.155 2.589 348 3HG2 VAL 45 HG21 VAL 45 2.492 -0.277 4.113 349 H THR 46 HN THR 46 5.888 1.467 5.204 350 HA THR 46 HA THR 46 8.029 3.042 3.792 351 HB THR 46 HB THR 46 7.598 1.961 6.586 352 HG1 THR 46 HG1 THR 46 8.364 4.111 7.050 353 1HG2 THR 46 HG23 THR 46 9.815 1.152 5.844 354 2HG2 THR 46 HG22 THR 46 10.260 2.802 5.407 355 3HG2 THR 46 HG21 THR 46 9.966 2.386 7.095 356 H PHE 47 HN PHE 47 9.990 1.718 3.289 357 HA PHE 47 HA PHE 47 9.960 -1.130 3.815 358 1HB PHE 47 HB2 PHE 47 9.439 -1.862 1.544 359 2HB PHE 47 HB1 PHE 47 8.120 -0.865 2.159 360 HD1 PHE 47 HD2 PHE 47 11.132 -0.861 -0.043 361 HD2 PHE 47 HD1 PHE 47 7.582 1.241 1.175 362 HE1 PHE 47 HE2 PHE 47 11.410 0.712 -1.933 363 HE2 PHE 47 HE1 PHE 47 7.866 2.811 -0.721 364 HZ PHE 47 HZ PHE 47 9.778 2.544 -2.272 365 H ASP 48 HN ASP 48 11.487 -2.228 2.105 366 HA ASP 48 HA ASP 48 13.915 -0.517 1.952 367 1HB ASP 48 HB2 ASP 48 13.338 -3.454 2.269 368 2HB ASP 48 HB1 ASP 48 14.910 -2.938 1.656 369 H ASP 49 HN ASP 49 14.094 0.329 -0.081 370 HA ASP 49 HA ASP 49 12.709 -0.728 -2.356 371 1HB ASP 49 HB2 ASP 49 13.203 1.546 -2.438 372 2HB ASP 49 HB1 ASP 49 14.835 1.320 -1.810 373 H THR 50 HN THR 50 15.455 -1.927 -0.808 374 HA THR 50 HA THR 50 17.108 -2.750 -2.996 375 HB THR 50 HB THR 50 17.585 -4.625 -1.156 376 HG1 THR 50 HG1 THR 50 16.973 -3.682 0.898 377 1HG2 THR 50 HG21 THR 50 18.614 -2.126 -1.760 378 2HG2 THR 50 HG23 THR 50 18.284 -2.014 -0.032 379 3HG2 THR 50 HG22 THR 50 19.335 -3.290 -0.648 380 H LYS 51 HN LYS 51 14.005 -3.847 -1.908 381 HA LYS 51 HA LYS 51 14.115 -6.057 -3.904 382 1HB LYS 51 HB2 LYS 51 14.494 -7.138 -1.814 383 2HB LYS 51 HB1 LYS 51 13.281 -6.144 -1.006 384 1HG LYS 51 HG2 LYS 51 11.518 -7.369 -1.836 385 2HG LYS 51 HG1 LYS 51 12.373 -7.790 -3.320 386 1HD LYS 51 HD2 LYS 51 12.979 -9.765 -2.434 387 2HD LYS 51 HD1 LYS 51 13.786 -8.934 -1.104 388 1HE LYS 51 HE2 LYS 51 10.785 -9.321 -1.108 389 2HE LYS 51 HE1 LYS 51 11.881 -10.556 -0.458 390 1HZ LYS 51 HZ3 LYS 51 12.920 -8.309 0.568 391 2HZ LYS 51 HZ2 LYS 51 11.267 -7.915 0.564 392 3HZ LYS 51 HZ1 LYS 51 11.811 -9.297 1.388 393 H ALA 52 HN ALA 52 12.127 -3.954 -1.905 394 HA ALA 52 HA ALA 52 9.823 -4.370 -3.768 395 1HB ALA 52 HB2 ALA 52 10.173 -3.628 -0.881 396 2HB ALA 52 HB1 ALA 52 8.717 -3.097 -1.723 397 3HB ALA 52 HB3 ALA 52 9.087 -4.817 -1.601 398 H SER 53 HN SER 53 8.427 -2.056 -3.397 399 HA SER 53 HA SER 53 9.934 0.378 -3.443 400 1HB SER 53 HB2 SER 53 10.560 -1.157 -5.568 401 2HB SER 53 HB1 SER 53 9.146 -0.339 -6.227 402 HG SER 53 HG SER 53 11.109 1.138 -4.864 403 H VAL 54 HN VAL 54 8.581 2.208 -4.126 404 HA VAL 54 HA VAL 54 5.966 2.288 -3.285 405 HB VAL 54 HB VAL 54 7.235 4.247 -3.936 406 1HG1 VAL 54 HG12 VAL 54 8.443 3.088 -5.812 407 2HG1 VAL 54 HG11 VAL 54 6.990 3.270 -6.794 408 3HG1 VAL 54 HG13 VAL 54 7.859 4.698 -6.233 409 1HG2 VAL 54 HG23 VAL 54 4.567 3.726 -4.845 410 2HG2 VAL 54 HG22 VAL 54 5.277 5.262 -4.348 411 3HG2 VAL 54 HG21 VAL 54 5.373 4.752 -6.033 412 H GLN 55 HN GLN 55 7.042 1.411 -6.582 413 HA GLN 55 HA GLN 55 4.444 1.027 -7.711 414 1HB GLN 55 HB2 GLN 55 6.949 1.041 -8.642 415 2HB GLN 55 HB1 GLN 55 6.772 -0.705 -8.459 416 1HG GLN 55 HG2 GLN 55 5.666 -0.739 -10.417 417 2HG GLN 55 HG1 GLN 55 4.375 0.182 -9.646 418 1HE2 GLN 55 HE22 GLN 55 7.175 2.235 -11.862 419 2HE2 GLN 55 HE21 GLN 55 7.608 0.754 -11.154 420 H LYS 56 HN LYS 56 6.662 -1.228 -6.059 421 HA LYS 56 HA LYS 56 5.025 -3.563 -6.292 422 1HB LYS 56 HB2 LYS 56 6.917 -2.879 -4.035 423 2HB LYS 56 HB1 LYS 56 6.571 -4.470 -4.709 424 1HG LYS 56 HG2 LYS 56 7.416 -3.094 -6.932 425 2HG LYS 56 HG1 LYS 56 8.428 -2.395 -5.666 426 1HD LYS 56 HD2 LYS 56 9.740 -4.219 -6.014 427 2HD LYS 56 HD1 LYS 56 8.537 -5.056 -5.033 428 1HE LYS 56 HE2 LYS 56 8.739 -6.377 -7.019 429 2HE LYS 56 HE1 LYS 56 7.259 -5.427 -7.261 430 1HZ LYS 56 HZ1 LYS 56 9.835 -4.251 -8.030 431 2HZ LYS 56 HZ3 LYS 56 9.145 -5.411 -9.058 432 3HZ LYS 56 HZ2 LYS 56 8.290 -3.990 -8.688 433 H LEU 57 HN LEU 57 4.885 -0.799 -4.087 434 HA LEU 57 HA LEU 57 3.242 -2.119 -2.074 435 1HB LEU 57 HB2 LEU 57 3.477 0.826 -2.783 436 2HB LEU 57 HB1 LEU 57 3.005 0.150 -1.226 437 HG LEU 57 HG LEU 57 5.716 -0.353 -2.491 438 1HD1 LEU 57 HD11 LEU 57 4.807 2.086 -1.617 439 2HD1 LEU 57 HD13 LEU 57 5.542 1.427 -0.157 440 3HD1 LEU 57 HD12 LEU 57 6.498 1.591 -1.631 441 1HD2 LEU 57 HD22 LEU 57 4.309 -1.225 -0.064 442 2HD2 LEU 57 HD21 LEU 57 5.746 -1.899 -0.832 443 3HD2 LEU 57 HD23 LEU 57 5.895 -0.527 0.265 444 H THR 58 HN THR 58 2.600 0.168 -4.725 445 HA THR 58 HA THR 58 -0.264 0.108 -4.560 446 HB THR 58 HB THR 58 1.586 0.579 -6.922 447 HG1 THR 58 HG1 THR 58 1.873 2.553 -6.153 448 1HG2 THR 58 HG23 THR 58 -1.061 0.342 -7.083 449 2HG2 THR 58 HG22 THR 58 -1.004 2.008 -6.508 450 3HG2 THR 58 HG21 THR 58 -0.195 1.565 -8.012 451 H LYS 59 HN LYS 59 2.124 -2.096 -5.706 452 HA LYS 59 HA LYS 59 0.393 -3.547 -7.565 453 1HB LYS 59 HB2 LYS 59 2.999 -3.284 -7.462 454 2HB LYS 59 HB1 LYS 59 2.915 -4.565 -6.252 455 1HG LYS 59 HG2 LYS 59 1.843 -6.065 -7.820 456 2HG LYS 59 HG1 LYS 59 1.692 -4.777 -9.016 457 1HD LYS 59 HD2 LYS 59 3.685 -5.440 -9.836 458 2HD LYS 59 HD1 LYS 59 4.413 -4.805 -8.360 459 1HE LYS 59 HE2 LYS 59 4.996 -6.907 -7.761 460 2HE LYS 59 HE1 LYS 59 3.284 -7.375 -7.761 461 1HZ LYS 59 HZ3 LYS 59 4.690 -7.031 -10.320 462 2HZ LYS 59 HZ2 LYS 59 4.911 -8.472 -9.447 463 3HZ LYS 59 HZ1 LYS 59 3.355 -8.013 -9.954 464 H ALA 60 HN ALA 60 1.280 -3.643 -4.160 465 HA ALA 60 HA ALA 60 0.261 -6.302 -3.623 466 1HB ALA 60 HB2 ALA 60 1.677 -4.311 -2.301 467 2HB ALA 60 HB1 ALA 60 0.128 -4.314 -1.459 468 3HB ALA 60 HB3 ALA 60 1.083 -5.794 -1.554 469 H THR 61 HN THR 61 -1.142 -3.018 -3.368 470 HA THR 61 HA THR 61 -3.760 -4.020 -2.481 471 HB THR 61 HB THR 61 -2.809 -1.743 -2.048 472 HG1 THR 61 HG1 THR 61 -4.769 -0.632 -2.749 473 1HG2 THR 61 HG21 THR 61 -1.794 -1.578 -4.374 474 2HG2 THR 61 HG23 THR 61 -3.415 -1.200 -4.958 475 3HG2 THR 61 HG22 THR 61 -2.620 -0.127 -3.805 476 H ALA 62 HN ALA 62 -2.193 -3.088 -5.497 477 HA ALA 62 HA ALA 62 -4.444 -3.233 -7.234 478 1HB ALA 62 HB3 ALA 62 -1.463 -3.646 -7.494 479 2HB ALA 62 HB2 ALA 62 -2.521 -3.836 -8.891 480 3HB ALA 62 HB1 ALA 62 -2.429 -2.283 -8.060 481 H ASP 63 HN ASP 63 -2.401 -5.646 -5.707 482 HA ASP 63 HA ASP 63 -3.548 -7.837 -7.322 483 1HB ASP 63 HB2 ASP 63 -1.154 -7.762 -6.626 484 2HB ASP 63 HB1 ASP 63 -1.665 -7.804 -4.938 485 H ALA 64 HN ALA 64 -4.133 -6.157 -4.345 486 HA ALA 64 HA ALA 64 -5.583 -8.315 -3.019 487 1HB ALA 64 HB1 ALA 64 -4.444 -6.270 -1.983 488 2HB ALA 64 HB3 ALA 64 -5.787 -5.316 -2.614 489 3HB ALA 64 HB2 ALA 64 -6.086 -6.579 -1.420 490 H GLY 65 HN GLY 65 -6.175 -6.150 -5.588 491 1HA GLY 65 HA2 GLY 65 -8.158 -6.414 -6.987 492 2HA GLY 65 HA1 GLY 65 -9.056 -6.880 -5.543 493 H TYR 66 HN TYR 66 -6.782 -4.213 -5.728 494 HA TYR 66 HA TYR 66 -9.075 -2.294 -5.574 495 1HB TYR 66 HB2 TYR 66 -6.674 -2.551 -3.735 496 2HB TYR 66 HB1 TYR 66 -7.837 -1.229 -3.676 497 HD1 TYR 66 HD1 TYR 66 -10.357 -2.672 -4.262 498 HD2 TYR 66 HD2 TYR 66 -7.070 -3.735 -1.692 499 HE1 TYR 66 HE1 TYR 66 -11.885 -4.047 -2.874 500 HE2 TYR 66 HE2 TYR 66 -8.605 -5.114 -0.320 501 HH TYR 66 HH TYR 66 -12.088 -5.293 -1.051 502 HA PRO 67 HA PRO 67 -6.129 -0.786 -8.760 503 1HB PRO 67 HB2 PRO 67 -8.239 1.106 -9.361 504 2HB PRO 67 HB1 PRO 67 -7.659 -0.234 -10.355 505 1HG PRO 67 HG2 PRO 67 -10.127 -0.062 -8.897 506 2HG PRO 67 HG1 PRO 67 -9.546 -1.397 -9.897 507 1HD PRO 67 HD2 PRO 67 -9.797 -1.347 -7.041 508 2HD PRO 67 HD1 PRO 67 -9.095 -2.644 -8.039 509 H SER 68 HN SER 68 -4.724 0.229 -7.232 510 HA SER 68 HA SER 68 -5.713 2.758 -5.976 511 1HB SER 68 HB2 SER 68 -3.172 1.285 -5.320 512 2HB SER 68 HB1 SER 68 -4.160 2.295 -4.270 513 HG SER 68 HG SER 68 -5.497 0.669 -3.947 514 H SER 69 HN SER 69 -3.658 4.247 -5.525 515 HA SER 69 HA SER 69 -1.844 4.467 -7.860 516 1HB SER 69 HB2 SER 69 -4.228 6.122 -7.271 517 2HB SER 69 HB1 SER 69 -2.764 7.052 -7.575 518 HG SER 69 HG SER 69 -4.332 5.684 -9.298 519 H VAL 70 HN VAL 70 0.151 5.205 -7.048 520 HA VAL 70 HA VAL 70 0.166 5.954 -4.188 521 HB VAL 70 HB VAL 70 1.484 4.070 -4.961 522 1HG1 VAL 70 HG13 VAL 70 2.267 6.039 -7.044 523 2HG1 VAL 70 HG12 VAL 70 3.545 4.962 -6.481 524 3HG1 VAL 70 HG11 VAL 70 2.065 4.292 -7.168 525 1HG2 VAL 70 HG21 VAL 70 2.409 6.080 -3.377 526 2HG2 VAL 70 HG23 VAL 70 3.321 4.605 -3.692 527 3HG2 VAL 70 HG22 VAL 70 3.653 6.068 -4.621 528 H LYS 71 HN LYS 71 1.509 7.719 -3.461 529 HA LYS 71 HA LYS 71 2.374 9.655 -5.525 530 1HB LYS 71 HB2 LYS 71 0.888 11.417 -4.442 531 2HB LYS 71 HB1 LYS 71 0.025 10.156 -5.324 532 1HG LYS 71 HG2 LYS 71 0.235 9.032 -2.833 533 2HG LYS 71 HG1 LYS 71 0.052 10.740 -2.436 534 1HD LYS 71 HD2 LYS 71 -1.753 9.784 -4.562 535 2HD LYS 71 HD1 LYS 71 -2.031 9.048 -2.983 536 1HE LYS 71 HE2 LYS 71 -1.727 12.045 -3.299 537 2HE LYS 71 HE1 LYS 71 -3.302 11.237 -3.432 538 1HZ LYS 71 HZ2 LYS 71 -1.445 10.746 -1.176 539 2HZ LYS 71 HZ1 LYS 71 -2.632 11.959 -1.120 540 3HZ LYS 71 HZ3 LYS 71 -3.090 10.334 -1.285 541 H GLN 72 HN GLN 72 4.033 8.363 -3.766 542 HA GLN 72 HA GLN 72 4.566 9.220 -1.209 543 1HB GLN 72 HB2 GLN 72 6.850 8.697 -1.707 544 2HB GLN 72 HB1 GLN 72 5.884 7.702 -2.797 545 1HG GLN 72 HG2 GLN 72 7.407 8.599 -4.299 546 2HG GLN 72 HG1 GLN 72 6.119 9.802 -4.395 547 1HE2 GLN 72 HE22 GLN 72 8.784 12.100 -3.768 548 2HE2 GLN 72 HE21 GLN 72 7.801 11.433 -4.980 No H/Q in entry = 548 Start of MODEL 7 1 1H ALA 1 HT2 ALA 1 17.661 2.426 0.369 2 2H ALA 1 HT1 ALA 1 18.542 1.166 1.093 3 3H ALA 1 HT3 ALA 1 18.801 1.553 -0.539 4 HA ALA 1 HA ALA 1 16.576 0.817 -1.118 5 1HB ALA 1 HB3 ALA 1 18.797 -0.685 -0.104 6 2HB ALA 1 HB2 ALA 1 17.312 -1.548 0.299 7 3HB ALA 1 HB1 ALA 1 17.668 -1.140 -1.380 8 H THR 2 HN THR 2 15.649 2.357 0.899 9 HA THR 2 HA THR 2 13.787 0.624 2.330 10 HB THR 2 HB THR 2 14.650 2.384 4.270 11 HG1 THR 2 HG1 THR 2 16.485 3.000 3.310 12 1HG2 THR 2 HG23 THR 2 15.455 -0.469 3.704 13 2HG2 THR 2 HG22 THR 2 15.786 0.348 5.231 14 3HG2 THR 2 HG21 THR 2 14.120 0.083 4.716 15 H GLN 3 HN GLN 3 12.244 1.762 0.994 16 HA GLN 3 HA GLN 3 12.079 4.715 1.477 17 1HB GLN 3 HB2 GLN 3 10.723 3.214 -0.754 18 2HB GLN 3 HB1 GLN 3 11.233 4.899 -0.712 19 1HG GLN 3 HG2 GLN 3 13.119 2.522 -0.725 20 2HG GLN 3 HG1 GLN 3 12.722 3.503 -2.137 21 1HE2 GLN 3 HE22 GLN 3 14.892 6.142 -1.240 22 2HE2 GLN 3 HE21 GLN 3 13.741 5.563 -2.346 23 H THR 4 HN THR 4 10.018 5.648 1.822 24 HA THR 4 HA THR 4 7.816 3.763 2.584 25 HB THR 4 HB THR 4 8.904 6.204 4.035 26 HG1 THR 4 HG1 THR 4 10.035 4.733 4.975 27 1HG2 THR 4 HG21 THR 4 6.474 4.482 4.570 28 2HG2 THR 4 HG23 THR 4 7.190 5.546 5.779 29 3HG2 THR 4 HG22 THR 4 6.517 6.223 4.296 30 H VAL 5 HN VAL 5 5.902 4.361 1.574 31 HA VAL 5 HA VAL 5 5.638 7.213 0.657 32 HB VAL 5 HB VAL 5 4.669 6.229 -1.437 33 1HG1 VAL 5 HG12 VAL 5 7.212 6.774 -0.931 34 2HG1 VAL 5 HG11 VAL 5 7.394 5.026 -1.088 35 3HG1 VAL 5 HG13 VAL 5 6.754 5.970 -2.433 36 1HG2 VAL 5 HG23 VAL 5 4.133 4.021 -0.249 37 2HG2 VAL 5 HG22 VAL 5 4.828 3.885 -1.864 38 3HG2 VAL 5 HG21 VAL 5 5.840 3.622 -0.443 39 H THR 6 HN THR 6 3.303 7.639 0.036 40 HA THR 6 HA THR 6 1.479 6.310 1.984 41 HB THR 6 HB THR 6 0.205 8.537 1.182 42 HG1 THR 6 HG1 THR 6 2.730 9.607 1.095 43 1HG2 THR 6 HG21 THR 6 2.241 7.986 3.247 44 2HG2 THR 6 HG23 THR 6 1.925 9.694 2.943 45 3HG2 THR 6 HG22 THR 6 0.606 8.626 3.421 46 H LEU 7 HN LEU 7 -0.712 5.844 1.066 47 HA LEU 7 HA LEU 7 -0.639 5.609 -1.914 48 1HB LEU 7 HB2 LEU 7 -0.367 3.574 0.073 49 2HB LEU 7 HB1 LEU 7 -1.909 3.322 -0.744 50 HG LEU 7 HG LEU 7 -0.803 3.347 -2.906 51 1HD1 LEU 7 HD11 LEU 7 1.645 3.995 -1.271 52 2HD1 LEU 7 HD13 LEU 7 1.746 3.369 -2.917 53 3HD1 LEU 7 HD12 LEU 7 0.955 4.909 -2.606 54 1HD2 LEU 7 HD23 LEU 7 -0.756 1.248 -1.333 55 2HD2 LEU 7 HD22 LEU 7 0.253 1.239 -2.779 56 3HD2 LEU 7 HD21 LEU 7 0.968 1.595 -1.207 57 H ALA 8 HN ALA 8 -2.690 5.489 -2.912 58 HA ALA 8 HA ALA 8 -5.042 6.203 -1.184 59 1HB ALA 8 HB1 ALA 8 -3.655 7.676 -3.277 60 2HB ALA 8 HB3 ALA 8 -5.350 7.433 -3.696 61 3HB ALA 8 HB2 ALA 8 -4.922 8.234 -2.185 62 H VAL 9 HN VAL 9 -6.305 4.359 -1.377 63 HA VAL 9 HA VAL 9 -6.553 3.125 -4.098 64 HB VAL 9 HB VAL 9 -5.551 1.806 -2.229 65 1HG1 VAL 9 HG13 VAL 9 -7.384 3.022 -0.644 66 2HG1 VAL 9 HG12 VAL 9 -8.200 1.486 -0.932 67 3HG1 VAL 9 HG11 VAL 9 -6.590 1.508 -0.214 68 1HG2 VAL 9 HG22 VAL 9 -7.954 1.061 -3.766 69 2HG2 VAL 9 HG21 VAL 9 -6.407 0.227 -3.621 70 3HG2 VAL 9 HG23 VAL 9 -7.635 0.029 -2.371 71 HA PRO 10 HA PRO 10 -10.694 5.013 -3.234 72 1HB PRO 10 HB2 PRO 10 -10.975 5.601 -5.980 73 2HB PRO 10 HB1 PRO 10 -10.514 6.733 -4.704 74 1HG PRO 10 HG2 PRO 10 -8.863 5.609 -6.821 75 2HG PRO 10 HG1 PRO 10 -8.482 6.912 -5.690 76 1HD PRO 10 HD2 PRO 10 -7.477 4.221 -5.652 77 2HD PRO 10 HD1 PRO 10 -7.169 5.512 -4.465 78 H GLY 11 HN GLY 11 -9.448 2.396 -5.020 79 1HA GLY 11 HA2 GLY 11 -11.520 1.444 -6.607 80 2HA GLY 11 HA1 GLY 11 -10.492 0.379 -5.645 81 H MET 12 HN MET 12 -11.245 1.309 -3.076 82 HA MET 12 HA MET 12 -14.176 1.040 -2.856 83 1HB MET 12 HB2 MET 12 -12.167 -1.074 -2.052 84 2HB MET 12 HB1 MET 12 -13.795 -1.024 -1.378 85 1HG MET 12 HG2 MET 12 -13.071 -1.292 -4.311 86 2HG MET 12 HG1 MET 12 -13.751 -2.550 -3.284 87 1HE MET 12 HE3 MET 12 -15.723 -2.545 -2.141 88 2HE MET 12 HE2 MET 12 -16.187 -0.937 -1.590 89 3HE MET 12 HE1 MET 12 -17.254 -1.832 -2.667 90 H THR 13 HN THR 13 -14.816 2.179 -1.060 91 HA THR 13 HA THR 13 -12.835 2.612 1.145 92 HB THR 13 HB THR 13 -12.714 4.666 0.059 93 HG1 THR 13 HG1 THR 13 -15.139 5.309 1.257 94 1HG2 THR 13 HG22 THR 13 -15.610 4.249 -0.736 95 2HG2 THR 13 HG21 THR 13 -14.681 5.701 -1.108 96 3HG2 THR 13 HG23 THR 13 -14.200 4.147 -1.791 97 H CYS 14 HN CYS 14 -13.993 1.117 2.550 98 HA CYS 14 HA CYS 14 -16.528 2.279 3.602 99 1HB CYS 14 HB2 CYS 14 -16.607 -0.657 3.144 100 2HB CYS 14 HB1 CYS 14 -17.894 0.530 3.003 101 H ALA 15 HN ALA 15 -14.948 -0.900 3.929 102 HA ALA 15 HA ALA 15 -13.651 -0.383 6.433 103 1HB ALA 15 HB1 ALA 15 -16.544 -0.812 6.414 104 2HB ALA 15 HB3 ALA 15 -15.710 -1.986 7.432 105 3HB ALA 15 HB2 ALA 15 -15.511 -0.259 7.732 106 H ALA 16 HN ALA 16 -12.870 -1.793 4.190 107 HA ALA 16 HA ALA 16 -12.097 -4.343 5.226 108 1HB ALA 16 HB2 ALA 16 -14.753 -4.143 4.232 109 2HB ALA 16 HB1 ALA 16 -13.839 -5.090 3.058 110 3HB ALA 16 HB3 ALA 16 -13.907 -5.603 4.744 111 H CYS 17 HN CYS 17 -12.998 -2.734 2.137 112 HA CYS 17 HA CYS 17 -10.924 -4.080 0.622 113 1HB CYS 17 HB2 CYS 17 -12.178 -1.452 -0.154 114 2HB CYS 17 HB1 CYS 17 -11.695 -2.786 -1.185 115 HA PRO 18 HA PRO 18 -8.592 0.178 1.032 116 1HB PRO 18 HB2 PRO 18 -9.306 1.251 3.588 117 2HB PRO 18 HB1 PRO 18 -9.588 1.980 2.005 118 1HG PRO 18 HG2 PRO 18 -11.512 0.730 3.792 119 2HG PRO 18 HG1 PRO 18 -11.808 1.650 2.316 120 1HD PRO 18 HD2 PRO 18 -12.131 -1.139 2.648 121 2HD PRO 18 HD1 PRO 18 -12.152 -0.252 1.109 122 H ILE 19 HN ILE 19 -9.703 -1.451 3.980 123 HA ILE 19 HA ILE 19 -7.180 -1.622 5.340 124 HB ILE 19 HB ILE 19 -9.634 -3.413 5.348 125 1HG1 ILE 19 HG12 ILE 19 -8.919 -1.082 7.152 126 2HG1 ILE 19 HG11 ILE 19 -10.017 -0.961 5.776 127 1HG2 ILE 19 HG22 ILE 19 -7.336 -4.120 6.475 128 2HG2 ILE 19 HG21 ILE 19 -7.865 -2.991 7.723 129 3HG2 ILE 19 HG23 ILE 19 -8.871 -4.378 7.307 130 1HD1 ILE 19 HD11 ILE 19 -10.830 -3.219 7.301 131 2HD1 ILE 19 HD13 ILE 19 -10.587 -1.887 8.430 132 3HD1 ILE 19 HD12 ILE 19 -11.696 -1.701 7.072 133 H THR 20 HN THR 20 -8.615 -3.532 2.737 134 HA THR 20 HA THR 20 -6.900 -5.840 2.936 135 HB THR 20 HB THR 20 -8.227 -4.591 0.495 136 HG1 THR 20 HG1 THR 20 -9.802 -6.354 1.211 137 1HG2 THR 20 HG23 THR 20 -7.174 -7.339 1.174 138 2HG2 THR 20 HG22 THR 20 -8.360 -7.090 -0.108 139 3HG2 THR 20 HG21 THR 20 -6.774 -6.325 -0.212 140 H VAL 21 HN VAL 21 -6.563 -2.613 1.749 141 HA VAL 21 HA VAL 21 -4.311 -3.017 0.011 142 HB VAL 21 HB VAL 21 -5.149 -0.584 1.627 143 1HG1 VAL 21 HG13 VAL 21 -2.986 -1.030 -0.122 144 2HG1 VAL 21 HG12 VAL 21 -4.168 -0.112 -1.055 145 3HG1 VAL 21 HG11 VAL 21 -3.565 0.526 0.474 146 1HG2 VAL 21 HG21 VAL 21 -6.436 -1.996 -0.595 147 2HG2 VAL 21 HG23 VAL 21 -7.082 -0.737 0.456 148 3HG2 VAL 21 HG22 VAL 21 -6.123 -0.299 -0.958 149 H LYS 22 HN LYS 22 -4.821 -2.639 3.447 150 HA LYS 22 HA LYS 22 -2.141 -2.031 4.253 151 1HB LYS 22 HB2 LYS 22 -4.374 -1.998 5.574 152 2HB LYS 22 HB1 LYS 22 -4.145 -3.732 5.753 153 1HG LYS 22 HG2 LYS 22 -1.870 -3.274 6.717 154 2HG LYS 22 HG1 LYS 22 -2.261 -1.555 6.701 155 1HD LYS 22 HD2 LYS 22 -3.935 -1.791 8.326 156 2HD LYS 22 HD1 LYS 22 -4.119 -3.518 8.023 157 1HE LYS 22 HE2 LYS 22 -2.302 -4.077 9.341 158 2HE LYS 22 HE1 LYS 22 -1.454 -2.556 8.996 159 1HZ LYS 22 HZ3 LYS 22 -3.583 -1.577 10.164 160 2HZ LYS 22 HZ2 LYS 22 -3.592 -3.096 10.924 161 3HZ LYS 22 HZ1 LYS 22 -2.239 -2.079 11.068 162 H LYS 23 HN LYS 23 -4.011 -5.011 3.856 163 HA LYS 23 HA LYS 23 -1.815 -6.759 4.491 164 1HB LYS 23 HB2 LYS 23 -4.335 -7.221 2.873 165 2HB LYS 23 HB1 LYS 23 -3.341 -8.484 3.599 166 1HG LYS 23 HG2 LYS 23 -5.072 -6.430 4.971 167 2HG LYS 23 HG1 LYS 23 -5.074 -8.182 5.170 168 1HD LYS 23 HD2 LYS 23 -2.617 -7.829 6.010 169 2HD LYS 23 HD1 LYS 23 -3.132 -6.161 6.260 170 1HE LYS 23 HE2 LYS 23 -5.226 -7.417 7.412 171 2HE LYS 23 HE1 LYS 23 -3.962 -8.627 7.711 172 1HZ LYS 23 HZ3 LYS 23 -2.552 -6.573 8.328 173 2HZ LYS 23 HZ2 LYS 23 -4.049 -5.798 8.537 174 3HZ LYS 23 HZ1 LYS 23 -3.663 -7.170 9.462 175 H ALA 24 HN ALA 24 -2.747 -5.006 1.700 176 HA ALA 24 HA ALA 24 -1.426 -6.599 -0.295 177 1HB ALA 24 HB1 ALA 24 -3.287 -4.782 -0.444 178 2HB ALA 24 HB3 ALA 24 -1.946 -3.637 -0.448 179 3HB ALA 24 HB2 ALA 24 -2.080 -4.842 -1.729 180 H LEU 25 HN LEU 25 -0.498 -3.745 1.629 181 HA LEU 25 HA LEU 25 2.117 -3.489 0.344 182 1HB LEU 25 HB2 LEU 25 1.280 -2.391 3.033 183 2HB LEU 25 HB1 LEU 25 2.391 -1.682 1.865 184 HG LEU 25 HG LEU 25 -0.209 -2.071 0.658 185 1HD1 LEU 25 HD12 LEU 25 -0.677 -1.809 3.217 186 2HD1 LEU 25 HD11 LEU 25 -0.234 -0.125 2.948 187 3HD1 LEU 25 HD13 LEU 25 -1.597 -0.827 2.077 188 1HD2 LEU 25 HD21 LEU 25 1.807 -0.461 0.168 189 2HD2 LEU 25 HD23 LEU 25 0.163 0.125 -0.084 190 3HD2 LEU 25 HD22 LEU 25 1.045 0.571 1.378 191 H SER 26 HN SER 26 0.805 -4.975 3.263 192 HA SER 26 HA SER 26 3.357 -5.618 4.465 193 1HB SER 26 HB2 SER 26 1.131 -5.440 5.620 194 2HB SER 26 HB1 SER 26 0.621 -6.904 4.782 195 HG SER 26 HG SER 26 2.742 -6.588 6.643 196 H LYS 27 HN LYS 27 1.389 -6.985 1.950 197 HA LYS 27 HA LYS 27 3.051 -9.460 1.978 198 1HB LYS 27 HB2 LYS 27 0.282 -8.754 1.045 199 2HB LYS 27 HB1 LYS 27 1.101 -10.163 0.372 200 1HG LYS 27 HG2 LYS 27 -0.315 -10.714 2.360 201 2HG LYS 27 HG1 LYS 27 1.388 -11.116 2.591 202 1HD LYS 27 HD2 LYS 27 1.737 -9.393 4.097 203 2HD LYS 27 HD1 LYS 27 0.455 -8.395 3.408 204 1HE LYS 27 HE2 LYS 27 -0.598 -9.094 5.366 205 2HE LYS 27 HE1 LYS 27 -1.075 -10.418 4.284 206 1HZ LYS 27 HZ2 LYS 27 1.180 -11.417 4.949 207 2HZ LYS 27 HZ1 LYS 27 1.104 -10.357 6.274 208 3HZ LYS 27 HZ3 LYS 27 -0.103 -11.528 6.057 209 H VAL 28 HN VAL 28 2.911 -6.496 0.495 210 HA VAL 28 HA VAL 28 3.065 -6.887 -2.265 211 HB VAL 28 HB VAL 28 3.183 -4.726 -1.050 212 1HG1 VAL 28 HG13 VAL 28 4.861 -5.703 0.648 213 2HG1 VAL 28 HG12 VAL 28 6.097 -5.335 -0.555 214 3HG1 VAL 28 HG11 VAL 28 5.117 -4.038 0.128 215 1HG2 VAL 28 HG23 VAL 28 4.236 -5.258 -3.445 216 2HG2 VAL 28 HG22 VAL 28 4.402 -3.666 -2.706 217 3HG2 VAL 28 HG21 VAL 28 5.730 -4.823 -2.615 218 H GLU 29 HN GLU 29 5.699 -7.302 0.121 219 HA GLU 29 HA GLU 29 6.951 -9.533 -0.904 220 1HB GLU 29 HB2 GLU 29 7.163 -7.256 -2.689 221 2HB GLU 29 HB1 GLU 29 8.762 -7.811 -2.188 222 1HG GLU 29 HG2 GLU 29 8.085 -10.139 -2.749 223 2HG GLU 29 HG1 GLU 29 6.564 -9.512 -3.380 224 H GLY 30 HN GLY 30 8.824 -6.534 -0.830 225 1HA GLY 30 HA2 GLY 30 10.292 -7.587 1.513 226 2HA GLY 30 HA1 GLY 30 10.817 -6.267 0.473 227 H VAL 31 HN VAL 31 7.582 -5.837 1.278 228 HA VAL 31 HA VAL 31 7.758 -3.408 2.586 229 HB VAL 31 HB VAL 31 5.658 -4.438 1.968 230 1HG1 VAL 31 HG11 VAL 31 6.721 -6.611 3.650 231 2HG1 VAL 31 HG13 VAL 31 5.005 -6.283 3.889 232 3HG1 VAL 31 HG12 VAL 31 5.610 -6.690 2.283 233 1HG2 VAL 31 HG23 VAL 31 5.883 -4.081 4.971 234 2HG2 VAL 31 HG22 VAL 31 5.556 -2.807 3.796 235 3HG2 VAL 31 HG21 VAL 31 4.369 -4.083 4.067 236 H SER 32 HN SER 32 8.440 -2.694 4.496 237 HA SER 32 HA SER 32 9.364 -4.685 6.527 238 1HB SER 32 HB2 SER 32 10.794 -2.808 5.231 239 2HB SER 32 HB1 SER 32 10.184 -1.811 6.549 240 HG SER 32 HG SER 32 11.850 -2.678 7.535 241 H LYS 33 HN LYS 33 7.112 -2.238 5.822 242 HA LYS 33 HA LYS 33 5.878 -2.477 8.475 243 1HB LYS 33 HB2 LYS 33 7.169 -0.782 9.302 244 2HB LYS 33 HB1 LYS 33 7.678 -0.273 7.699 245 1HG LYS 33 HG2 LYS 33 5.424 0.816 7.405 246 2HG LYS 33 HG1 LYS 33 5.075 0.427 9.090 247 1HD LYS 33 HD2 LYS 33 7.241 1.653 9.677 248 2HD LYS 33 HD1 LYS 33 7.234 2.254 8.018 249 1HE LYS 33 HE2 LYS 33 5.980 3.957 8.913 250 2HE LYS 33 HE1 LYS 33 4.650 2.786 8.792 251 1HZ LYS 33 HZ2 LYS 33 6.501 2.929 11.108 252 2HZ LYS 33 HZ1 LYS 33 4.997 3.720 11.070 253 3HZ LYS 33 HZ3 LYS 33 5.066 2.027 10.986 254 H VAL 34 HN VAL 34 3.715 -1.415 8.453 255 HA VAL 34 HA VAL 34 2.815 -0.411 5.805 256 HB VAL 34 HB VAL 34 2.705 -2.911 5.830 257 1HG1 VAL 34 HG11 VAL 34 2.187 -2.900 8.367 258 2HG1 VAL 34 HG13 VAL 34 0.516 -2.605 7.886 259 3HG1 VAL 34 HG12 VAL 34 1.337 -4.077 7.366 260 1HG2 VAL 34 HG21 VAL 34 1.050 -1.380 4.605 261 2HG2 VAL 34 HG23 VAL 34 0.511 -3.033 4.900 262 3HG2 VAL 34 HG22 VAL 34 -0.074 -1.719 5.921 263 H ASP 35 HN ASP 35 0.605 0.449 5.904 264 HA ASP 35 HA ASP 35 -0.661 0.840 8.532 265 1HB ASP 35 HB2 ASP 35 1.333 2.569 7.755 266 2HB ASP 35 HB1 ASP 35 -0.095 3.367 7.094 267 H VAL 36 HN VAL 36 -2.889 1.594 8.186 268 HA VAL 36 HA VAL 36 -3.665 2.159 5.394 269 HB VAL 36 HB VAL 36 -3.463 -0.378 5.946 270 1HG1 VAL 36 HG12 VAL 36 -4.793 -0.125 8.084 271 2HG1 VAL 36 HG11 VAL 36 -6.212 0.190 7.087 272 3HG1 VAL 36 HG13 VAL 36 -5.397 -1.371 6.993 273 1HG2 VAL 36 HG21 VAL 36 -5.866 0.940 4.667 274 2HG2 VAL 36 HG23 VAL 36 -4.409 0.349 3.869 275 3HG2 VAL 36 HG22 VAL 36 -5.559 -0.793 4.563 276 H GLY 37 HN GLY 37 -5.908 2.734 5.179 277 1HA GLY 37 HA2 GLY 37 -7.299 3.400 7.717 278 2HA GLY 37 HA1 GLY 37 -7.053 4.672 6.513 279 H PHE 38 HN PHE 38 -9.137 2.220 7.501 280 HA PHE 38 HA PHE 38 -10.259 1.176 5.143 281 1HB PHE 38 HB2 PHE 38 -12.143 0.701 6.554 282 2HB PHE 38 HB1 PHE 38 -10.729 0.659 7.604 283 HD1 PHE 38 HD2 PHE 38 -10.159 2.716 8.980 284 HD2 PHE 38 HD1 PHE 38 -13.897 2.260 6.915 285 HE1 PHE 38 HE2 PHE 38 -11.160 4.483 10.403 286 HE2 PHE 38 HE1 PHE 38 -14.900 4.024 8.341 287 HZ PHE 38 HZ PHE 38 -13.531 5.136 10.084 288 H GLU 39 HN GLU 39 -12.976 2.171 5.270 289 HA GLU 39 HA GLU 39 -13.889 3.713 3.544 290 1HB GLU 39 HB2 GLU 39 -14.927 3.795 5.734 291 2HB GLU 39 HB1 GLU 39 -13.680 4.895 6.322 292 1HG GLU 39 HG2 GLU 39 -14.398 6.621 4.762 293 2HG GLU 39 HG1 GLU 39 -15.566 5.519 4.033 294 H LYS 40 HN LYS 40 -11.892 5.831 5.695 295 HA LYS 40 HA LYS 40 -11.551 8.044 4.110 296 1HB LYS 40 HB2 LYS 40 -10.055 6.609 6.152 297 2HB LYS 40 HB1 LYS 40 -8.979 7.503 5.076 298 1HG LYS 40 HG2 LYS 40 -11.047 9.294 5.508 299 2HG LYS 40 HG1 LYS 40 -10.868 8.512 7.079 300 1HD LYS 40 HD2 LYS 40 -8.286 9.139 5.872 301 2HD LYS 40 HD1 LYS 40 -9.281 10.578 6.093 302 1HE LYS 40 HE2 LYS 40 -9.132 10.474 8.371 303 2HE LYS 40 HE1 LYS 40 -9.292 8.706 8.390 304 1HZ LYS 40 HZ1 LYS 40 -6.878 10.201 7.511 305 2HZ LYS 40 HZ3 LYS 40 -7.042 9.408 9.001 306 3HZ LYS 40 HZ2 LYS 40 -7.042 8.511 7.557 307 H ARG 41 HN ARG 41 -10.216 4.878 3.378 308 HA ARG 41 HA ARG 41 -9.123 4.047 1.490 309 1HB ARG 41 HB2 ARG 41 -10.966 5.363 0.449 310 2HB ARG 41 HB1 ARG 41 -9.891 6.759 0.387 311 1HG ARG 41 HG2 ARG 41 -8.541 4.477 -0.722 312 2HG ARG 41 HG1 ARG 41 -10.107 4.664 -1.509 313 1HD ARG 41 HD2 ARG 41 -7.961 6.798 -1.241 314 2HD ARG 41 HD1 ARG 41 -8.494 6.013 -2.735 315 HE ARG 41 HE ARG 41 -10.830 7.031 -1.575 316 1HH1 ARG 41 HH21 ARG 41 -7.767 8.249 -2.609 317 2HH1 ARG 41 HH22 ARG 41 -8.386 9.810 -3.031 318 1HH2 ARG 41 HH11 ARG 41 -11.645 9.068 -2.124 319 2HH2 ARG 41 HH12 ARG 41 -10.574 10.272 -2.758 320 H GLU 42 HN GLU 42 -7.145 4.321 2.880 321 HA GLU 42 HA GLU 42 -5.100 5.788 1.364 322 1HB GLU 42 HB2 GLU 42 -6.230 7.532 2.754 323 2HB GLU 42 HB1 GLU 42 -5.774 6.630 4.200 324 1HG GLU 42 HG2 GLU 42 -3.383 6.838 3.540 325 2HG GLU 42 HG1 GLU 42 -3.874 7.821 2.159 326 H ALA 43 HN ALA 43 -3.254 4.496 1.491 327 HA ALA 43 HA ALA 43 -2.867 2.930 4.019 328 1HB ALA 43 HB2 ALA 43 -2.850 2.193 1.128 329 2HB ALA 43 HB1 ALA 43 -1.702 1.367 2.182 330 3HB ALA 43 HB3 ALA 43 -3.432 1.269 2.512 331 H VAL 44 HN VAL 44 -0.907 3.330 4.981 332 HA VAL 44 HA VAL 44 1.178 4.709 3.318 333 HB VAL 44 HB VAL 44 0.051 5.006 6.013 334 1HG1 VAL 44 HG11 VAL 44 3.018 4.708 5.660 335 2HG1 VAL 44 HG13 VAL 44 2.403 5.902 6.804 336 3HG1 VAL 44 HG12 VAL 44 2.001 4.197 7.007 337 1HG2 VAL 44 HG22 VAL 44 1.144 6.594 3.824 338 2HG2 VAL 44 HG21 VAL 44 -0.069 7.029 5.027 339 3HG2 VAL 44 HG23 VAL 44 1.646 7.196 5.404 340 H VAL 45 HN VAL 45 3.244 3.710 3.198 341 HA VAL 45 HA VAL 45 3.670 1.300 4.910 342 HB VAL 45 HB VAL 45 2.386 0.833 2.772 343 1HG1 VAL 45 HG12 VAL 45 5.074 1.571 1.596 344 2HG1 VAL 45 HG11 VAL 45 3.811 0.714 0.714 345 3HG1 VAL 45 HG13 VAL 45 3.529 2.360 1.281 346 1HG2 VAL 45 HG21 VAL 45 4.943 -0.469 3.611 347 2HG2 VAL 45 HG23 VAL 45 3.303 -1.113 3.633 348 3HG2 VAL 45 HG22 VAL 45 4.194 -1.017 2.113 349 H THR 46 HN THR 46 5.792 0.513 4.928 350 HA THR 46 HA THR 46 7.940 2.240 3.733 351 HB THR 46 HB THR 46 7.521 1.039 6.475 352 HG1 THR 46 HG1 THR 46 8.431 3.229 6.923 353 1HG2 THR 46 HG22 THR 46 9.735 0.288 5.645 354 2HG2 THR 46 HG21 THR 46 10.166 1.968 5.325 355 3HG2 THR 46 HG23 THR 46 9.885 1.428 6.981 356 H PHE 47 HN PHE 47 9.884 0.917 3.179 357 HA PHE 47 HA PHE 47 9.830 -1.957 3.535 358 1HB PHE 47 HB2 PHE 47 9.243 -2.547 1.245 359 2HB PHE 47 HB1 PHE 47 7.960 -1.538 1.917 360 HD1 PHE 47 HD2 PHE 47 10.832 -1.633 -0.425 361 HD2 PHE 47 HD1 PHE 47 7.628 0.754 1.181 362 HE1 PHE 47 HE2 PHE 47 11.166 0.031 -2.222 363 HE2 PHE 47 HE1 PHE 47 7.969 2.415 -0.627 364 HZ PHE 47 HZ PHE 47 9.733 2.052 -2.326 365 H ASP 48 HN ASP 48 11.377 -2.956 1.811 366 HA ASP 48 HA ASP 48 13.730 -1.139 1.597 367 1HB ASP 48 HB2 ASP 48 13.266 -3.911 2.392 368 2HB ASP 48 HB1 ASP 48 14.485 -3.806 1.121 369 H ASP 49 HN ASP 49 14.129 -0.465 -0.481 370 HA ASP 49 HA ASP 49 12.511 -1.357 -2.665 371 1HB ASP 49 HB2 ASP 49 13.416 0.493 -3.614 372 2HB ASP 49 HB1 ASP 49 14.217 0.742 -2.067 373 H THR 50 HN THR 50 15.075 -2.961 -1.197 374 HA THR 50 HA THR 50 16.493 -4.089 -3.407 375 HB THR 50 HB THR 50 16.847 -5.943 -1.624 376 HG1 THR 50 HG1 THR 50 15.015 -5.619 -0.418 377 1HG2 THR 50 HG22 THR 50 18.112 -3.628 -2.062 378 2HG2 THR 50 HG21 THR 50 17.487 -3.275 -0.452 379 3HG2 THR 50 HG23 THR 50 18.533 -4.672 -0.705 380 H LYS 51 HN LYS 51 13.478 -5.060 -1.774 381 HA LYS 51 HA LYS 51 13.025 -7.021 -3.999 382 1HB LYS 51 HB2 LYS 51 13.088 -7.300 -1.070 383 2HB LYS 51 HB1 LYS 51 11.656 -8.010 -1.818 384 1HG LYS 51 HG2 LYS 51 13.500 -8.927 -3.537 385 2HG LYS 51 HG1 LYS 51 14.521 -8.779 -2.106 386 1HD LYS 51 HD2 LYS 51 13.698 -10.897 -1.727 387 2HD LYS 51 HD1 LYS 51 12.412 -9.966 -0.958 388 1HE LYS 51 HE2 LYS 51 11.118 -11.287 -2.361 389 2HE LYS 51 HE1 LYS 51 11.470 -9.962 -3.488 390 1HZ LYS 51 HZ1 LYS 51 13.419 -12.140 -3.173 391 2HZ LYS 51 HZ3 LYS 51 12.052 -12.403 -4.142 392 3HZ LYS 51 HZ2 LYS 51 13.128 -11.143 -4.518 393 H ALA 52 HN ALA 52 12.076 -4.147 -3.390 394 HA ALA 52 HA ALA 52 9.327 -4.527 -4.261 395 1HB ALA 52 HB1 ALA 52 10.024 -4.140 -1.398 396 2HB ALA 52 HB3 ALA 52 8.681 -3.171 -2.004 397 3HB ALA 52 HB2 ALA 52 8.619 -4.930 -2.115 398 H SER 53 HN SER 53 8.198 -2.142 -3.731 399 HA SER 53 HA SER 53 9.897 0.162 -3.749 400 1HB SER 53 HB2 SER 53 9.842 -1.420 -6.134 401 2HB SER 53 HB1 SER 53 9.038 0.109 -6.476 402 HG SER 53 HG SER 53 11.409 0.034 -6.709 403 H VAL 54 HN VAL 54 8.635 2.112 -4.096 404 HA VAL 54 HA VAL 54 6.030 2.215 -3.183 405 HB VAL 54 HB VAL 54 7.436 4.166 -3.578 406 1HG1 VAL 54 HG11 VAL 54 8.128 2.974 -5.914 407 2HG1 VAL 54 HG13 VAL 54 6.975 4.168 -6.509 408 3HG1 VAL 54 HG12 VAL 54 8.388 4.689 -5.591 409 1HG2 VAL 54 HG23 VAL 54 4.705 3.944 -4.454 410 2HG2 VAL 54 HG22 VAL 54 5.515 5.323 -3.710 411 3HG2 VAL 54 HG21 VAL 54 5.542 5.125 -5.462 412 H GLN 55 HN GLN 55 7.112 1.504 -6.480 413 HA GLN 55 HA GLN 55 4.528 1.551 -7.745 414 1HB GLN 55 HB2 GLN 55 7.112 1.330 -8.532 415 2HB GLN 55 HB1 GLN 55 6.638 -0.367 -8.619 416 1HG GLN 55 HG2 GLN 55 4.889 0.095 -10.173 417 2HG GLN 55 HG1 GLN 55 4.989 1.832 -9.879 418 1HE2 GLN 55 HE22 GLN 55 6.834 1.202 -13.044 419 2HE2 GLN 55 HE21 GLN 55 5.223 1.079 -12.522 420 H LYS 56 HN LYS 56 6.477 -1.080 -6.329 421 HA LYS 56 HA LYS 56 4.598 -3.189 -6.775 422 1HB LYS 56 HB2 LYS 56 7.100 -2.661 -5.352 423 2HB LYS 56 HB1 LYS 56 6.082 -3.830 -4.509 424 1HG LYS 56 HG2 LYS 56 6.112 -5.343 -6.286 425 2HG LYS 56 HG1 LYS 56 6.483 -4.093 -7.474 426 1HD LYS 56 HD2 LYS 56 8.696 -3.878 -5.982 427 2HD LYS 56 HD1 LYS 56 8.314 -5.566 -5.636 428 1HE LYS 56 HE2 LYS 56 8.018 -4.964 -8.481 429 2HE LYS 56 HE1 LYS 56 9.665 -4.644 -7.899 430 1HZ LYS 56 HZ3 LYS 56 9.465 -6.836 -6.689 431 2HZ LYS 56 HZ2 LYS 56 8.089 -7.142 -7.638 432 3HZ LYS 56 HZ1 LYS 56 9.605 -6.936 -8.376 433 H LEU 57 HN LEU 57 4.742 -0.678 -4.289 434 HA LEU 57 HA LEU 57 3.034 -2.060 -2.378 435 1HB LEU 57 HB2 LEU 57 3.438 0.918 -2.809 436 2HB LEU 57 HB1 LEU 57 2.967 0.118 -1.312 437 HG LEU 57 HG LEU 57 5.627 -0.297 -2.715 438 1HD1 LEU 57 HD13 LEU 57 4.761 1.923 -1.288 439 2HD1 LEU 57 HD12 LEU 57 5.626 0.964 -0.088 440 3HD1 LEU 57 HD11 LEU 57 6.441 1.463 -1.567 441 1HD2 LEU 57 HD22 LEU 57 4.464 -2.064 -1.085 442 2HD2 LEU 57 HD21 LEU 57 6.194 -1.729 -0.987 443 3HD2 LEU 57 HD23 LEU 57 5.083 -0.965 0.149 444 H THR 58 HN THR 58 2.466 0.639 -4.637 445 HA THR 58 HA THR 58 -0.394 0.649 -4.434 446 HB THR 58 HB THR 58 1.065 1.396 -6.943 447 HG1 THR 58 HG1 THR 58 2.216 2.914 -5.979 448 1HG2 THR 58 HG23 THR 58 -1.026 2.689 -5.177 449 2HG2 THR 58 HG22 THR 58 -0.314 3.477 -6.584 450 3HG2 THR 58 HG21 THR 58 -1.260 2.003 -6.786 451 H LYS 59 HN LYS 59 1.888 -1.388 -6.049 452 HA LYS 59 HA LYS 59 0.015 -2.430 -8.050 453 1HB LYS 59 HB2 LYS 59 2.474 -2.262 -8.385 454 2HB LYS 59 HB1 LYS 59 2.721 -3.385 -7.048 455 1HG LYS 59 HG2 LYS 59 2.015 -5.206 -8.261 456 2HG LYS 59 HG1 LYS 59 0.878 -4.257 -9.220 457 1HD LYS 59 HD2 LYS 59 2.416 -4.383 -10.878 458 2HD LYS 59 HD1 LYS 59 3.331 -3.196 -9.946 459 1HE LYS 59 HE2 LYS 59 4.010 -5.542 -8.670 460 2HE LYS 59 HE1 LYS 59 3.883 -6.061 -10.362 461 1HZ LYS 59 HZ1 LYS 59 5.292 -3.586 -9.532 462 2HZ LYS 59 HZ3 LYS 59 6.085 -5.074 -9.712 463 3HZ LYS 59 HZ2 LYS 59 5.334 -4.346 -11.051 464 H ALA 60 HN ALA 60 1.034 -3.154 -4.773 465 HA ALA 60 HA ALA 60 0.022 -5.879 -4.719 466 1HB ALA 60 HB3 ALA 60 1.132 -3.836 -2.885 467 2HB ALA 60 HB2 ALA 60 0.026 -4.980 -2.125 468 3HB ALA 60 HB1 ALA 60 1.464 -5.566 -2.962 469 H THR 61 HN THR 61 -1.283 -2.687 -3.801 470 HA THR 61 HA THR 61 -3.858 -3.800 -2.938 471 HB THR 61 HB THR 61 -2.865 -1.675 -2.104 472 HG1 THR 61 HG1 THR 61 -4.831 -0.360 -2.776 473 1HG2 THR 61 HG22 THR 61 -3.342 -0.741 -4.945 474 2HG2 THR 61 HG21 THR 61 -2.888 0.307 -3.602 475 3HG2 THR 61 HG23 THR 61 -1.773 -0.938 -4.165 476 H ALA 62 HN ALA 62 -2.441 -2.338 -5.815 477 HA ALA 62 HA ALA 62 -4.796 -2.133 -7.415 478 1HB ALA 62 HB2 ALA 62 -1.852 -2.581 -7.978 479 2HB ALA 62 HB1 ALA 62 -3.027 -2.366 -9.276 480 3HB ALA 62 HB3 ALA 62 -2.757 -1.073 -8.108 481 H ASP 63 HN ASP 63 -2.665 -4.796 -6.545 482 HA ASP 63 HA ASP 63 -4.015 -6.666 -8.403 483 1HB ASP 63 HB2 ASP 63 -1.525 -6.623 -7.916 484 2HB ASP 63 HB1 ASP 63 -1.902 -7.152 -6.276 485 H ALA 64 HN ALA 64 -4.294 -5.489 -5.185 486 HA ALA 64 HA ALA 64 -5.476 -7.838 -3.958 487 1HB ALA 64 HB2 ALA 64 -4.394 -5.915 -2.770 488 2HB ALA 64 HB1 ALA 64 -5.714 -4.878 -3.312 489 3HB ALA 64 HB3 ALA 64 -6.038 -6.211 -2.203 490 H GLY 65 HN GLY 65 -6.510 -5.328 -6.093 491 1HA GLY 65 HA2 GLY 65 -8.614 -5.855 -7.362 492 2HA GLY 65 HA1 GLY 65 -9.326 -6.272 -5.807 493 H TYR 66 HN TYR 66 -7.169 -3.566 -5.974 494 HA TYR 66 HA TYR 66 -9.488 -1.678 -6.039 495 1HB TYR 66 HB2 TYR 66 -7.246 -1.583 -4.006 496 2HB TYR 66 HB1 TYR 66 -8.774 -0.701 -3.977 497 HD1 TYR 66 HD1 TYR 66 -10.878 -2.420 -4.376 498 HD2 TYR 66 HD2 TYR 66 -7.143 -3.352 -2.464 499 HE1 TYR 66 HE1 TYR 66 -11.968 -4.284 -3.149 500 HE2 TYR 66 HE2 TYR 66 -8.231 -5.212 -1.250 501 HH TYR 66 HH TYR 66 -11.397 -5.526 -0.814 502 HA PRO 67 HA PRO 67 -6.344 -0.024 -8.907 503 1HB PRO 67 HB2 PRO 67 -8.289 2.043 -9.468 504 2HB PRO 67 HB1 PRO 67 -7.766 0.721 -10.517 505 1HG PRO 67 HG2 PRO 67 -10.278 0.995 -9.163 506 2HG PRO 67 HG1 PRO 67 -9.740 -0.338 -10.189 507 1HD PRO 67 HD2 PRO 67 -10.103 -0.356 -7.333 508 2HD PRO 67 HD1 PRO 67 -9.513 -1.684 -8.363 509 H SER 68 HN SER 68 -4.970 0.751 -7.213 510 HA SER 68 HA SER 68 -5.763 3.333 -5.927 511 1HB SER 68 HB2 SER 68 -5.342 1.709 -4.288 512 2HB SER 68 HB1 SER 68 -4.044 0.970 -5.218 513 HG SER 68 HG SER 68 -4.040 3.230 -3.581 514 H SER 69 HN SER 69 -3.516 4.494 -5.245 515 HA SER 69 HA SER 69 -1.564 4.501 -7.467 516 1HB SER 69 HB2 SER 69 -3.626 6.107 -7.761 517 2HB SER 69 HB1 SER 69 -2.838 7.063 -6.509 518 HG SER 69 HG SER 69 -2.019 6.473 -9.122 519 H VAL 70 HN VAL 70 0.091 6.453 -6.684 520 HA VAL 70 HA VAL 70 0.379 6.161 -3.730 521 HB VAL 70 HB VAL 70 1.658 4.563 -5.189 522 1HG1 VAL 70 HG12 VAL 70 2.103 6.395 -6.926 523 2HG1 VAL 70 HG11 VAL 70 3.359 6.979 -5.835 524 3HG1 VAL 70 HG13 VAL 70 3.472 5.359 -6.522 525 1HG2 VAL 70 HG22 VAL 70 2.423 5.968 -2.889 526 2HG2 VAL 70 HG21 VAL 70 3.160 4.481 -3.484 527 3HG2 VAL 70 HG23 VAL 70 3.835 6.047 -3.933 528 H LYS 71 HN LYS 71 1.757 7.807 -2.730 529 HA LYS 71 HA LYS 71 2.369 10.182 -4.427 530 1HB LYS 71 HB2 LYS 71 0.981 11.635 -3.056 531 2HB LYS 71 HB1 LYS 71 -0.015 10.293 -3.623 532 1HG LYS 71 HG2 LYS 71 1.001 9.254 -1.306 533 2HG LYS 71 HG1 LYS 71 0.859 10.960 -0.882 534 1HD LYS 71 HD2 LYS 71 -1.496 10.195 -2.319 535 2HD LYS 71 HD1 LYS 71 -1.221 9.017 -1.035 536 1HE LYS 71 HE2 LYS 71 -1.299 10.673 0.663 537 2HE LYS 71 HE1 LYS 71 -1.066 11.993 -0.501 538 1HZ LYS 71 HZ2 LYS 71 -3.357 10.142 -0.727 539 2HZ LYS 71 HZ1 LYS 71 -3.441 11.509 0.279 540 3HZ LYS 71 HZ3 LYS 71 -3.180 11.698 -1.386 541 H GLN 72 HN GLN 72 4.221 8.508 -3.214 542 HA GLN 72 HA GLN 72 5.897 8.396 -1.500 543 1HB GLN 72 HB2 GLN 72 5.814 11.281 -2.437 544 2HB GLN 72 HB1 GLN 72 7.208 10.494 -1.694 545 1HG GLN 72 HG2 GLN 72 7.635 10.298 -4.005 546 2HG GLN 72 HG1 GLN 72 6.953 8.729 -3.575 547 1HE2 GLN 72 HE22 GLN 72 4.578 9.160 -6.145 548 2HE2 GLN 72 HE21 GLN 72 5.790 8.184 -5.465 No H/Q in entry = 548 Start of MODEL 8 1 1H ALA 1 HT2 ALA 1 18.346 1.633 1.224 2 2H ALA 1 HT1 ALA 1 19.094 1.399 -0.283 3 3H ALA 1 HT3 ALA 1 18.557 2.944 0.165 4 HA ALA 1 HA ALA 1 16.855 2.287 -1.235 5 1HB ALA 1 HB3 ALA 1 17.616 -0.399 -0.095 6 2HB ALA 1 HB2 ALA 1 16.109 -0.200 -0.989 7 3HB ALA 1 HB1 ALA 1 17.652 0.130 -1.776 8 H THR 2 HN THR 2 15.575 3.679 0.104 9 HA THR 2 HA THR 2 13.717 2.320 1.916 10 HB THR 2 HB THR 2 14.366 4.630 3.258 11 HG1 THR 2 HG1 THR 2 16.789 4.142 3.356 12 1HG2 THR 2 HG21 THR 2 15.398 1.812 3.582 13 2HG2 THR 2 HG23 THR 2 15.622 3.067 4.800 14 3HG2 THR 2 HG22 THR 2 13.996 2.537 4.371 15 H GLN 3 HN GLN 3 12.225 2.872 0.200 16 HA GLN 3 HA GLN 3 11.821 5.813 -0.219 17 1HB GLN 3 HB2 GLN 3 10.830 3.545 -1.951 18 2HB GLN 3 HB1 GLN 3 11.045 5.236 -2.397 19 1HG GLN 3 HG2 GLN 3 13.539 4.140 -1.418 20 2HG GLN 3 HG1 GLN 3 12.905 3.143 -2.726 21 1HE2 GLN 3 HE22 GLN 3 14.857 6.227 -3.961 22 2HE2 GLN 3 HE21 GLN 3 15.209 5.164 -2.686 23 H THR 4 HN THR 4 9.664 6.612 -0.292 24 HA THR 4 HA THR 4 7.594 4.842 0.963 25 HB THR 4 HB THR 4 8.010 7.812 1.438 26 HG1 THR 4 HG1 THR 4 9.150 5.548 2.608 27 1HG2 THR 4 HG22 THR 4 6.302 5.651 2.654 28 2HG2 THR 4 HG21 THR 4 6.724 7.094 3.578 29 3HG2 THR 4 HG23 THR 4 5.817 7.244 2.072 30 H VAL 5 HN VAL 5 5.372 5.526 0.407 31 HA VAL 5 HA VAL 5 4.899 7.518 -1.674 32 HB VAL 5 HB VAL 5 5.756 6.044 -3.231 33 1HG1 VAL 5 HG13 VAL 5 5.075 4.005 -1.193 34 2HG1 VAL 5 HG12 VAL 5 5.007 3.460 -2.869 35 3HG1 VAL 5 HG11 VAL 5 6.502 4.136 -2.222 36 1HG2 VAL 5 HG21 VAL 5 2.902 5.104 -2.869 37 2HG2 VAL 5 HG23 VAL 5 3.447 6.445 -3.875 38 3HG2 VAL 5 HG22 VAL 5 3.886 4.792 -4.299 39 H THR 6 HN THR 6 2.615 7.312 -2.450 40 HA THR 6 HA THR 6 0.870 6.403 -0.211 41 HB THR 6 HB THR 6 -0.620 8.117 -1.635 42 HG1 THR 6 HG1 THR 6 1.897 9.249 -2.025 43 1HG2 THR 6 HG21 THR 6 1.567 8.657 0.354 44 2HG2 THR 6 HG23 THR 6 0.567 9.972 -0.262 45 3HG2 THR 6 HG22 THR 6 -0.178 8.635 0.615 46 H LEU 7 HN LEU 7 -1.302 5.550 -0.985 47 HA LEU 7 HA LEU 7 -1.109 4.366 -3.723 48 1HB LEU 7 HB2 LEU 7 -0.950 3.097 -1.128 49 2HB LEU 7 HB1 LEU 7 -2.350 2.488 -2.012 50 HG LEU 7 HG LEU 7 -0.991 1.876 -3.891 51 1HD1 LEU 7 HD13 LEU 7 1.101 3.482 -2.464 52 2HD1 LEU 7 HD12 LEU 7 1.554 2.254 -3.645 53 3HD1 LEU 7 HD11 LEU 7 0.550 3.613 -4.129 54 1HD2 LEU 7 HD23 LEU 7 -0.903 0.454 -1.711 55 2HD2 LEU 7 HD22 LEU 7 0.307 0.129 -2.953 56 3HD2 LEU 7 HD21 LEU 7 0.731 1.093 -1.538 57 H ALA 8 HN ALA 8 -3.052 4.150 -4.789 58 HA ALA 8 HA ALA 8 -5.486 5.276 -3.423 59 1HB ALA 8 HB3 ALA 8 -4.150 5.663 -6.012 60 2HB ALA 8 HB2 ALA 8 -5.884 5.381 -6.167 61 3HB ALA 8 HB1 ALA 8 -5.293 6.716 -5.178 62 H VAL 9 HN VAL 9 -6.467 3.324 -2.703 63 HA VAL 9 HA VAL 9 -6.862 1.189 -4.770 64 HB VAL 9 HB VAL 9 -5.644 0.511 -2.790 65 1HG1 VAL 9 HG11 VAL 9 -7.562 2.281 -1.508 66 2HG1 VAL 9 HG13 VAL 9 -7.490 0.719 -0.691 67 3HG1 VAL 9 HG12 VAL 9 -6.023 1.676 -0.896 68 1HG2 VAL 9 HG21 VAL 9 -8.533 -0.409 -2.676 69 2HG2 VAL 9 HG23 VAL 9 -7.269 -1.100 -3.692 70 3HG2 VAL 9 HG22 VAL 9 -7.169 -1.248 -1.939 71 HA PRO 10 HA PRO 10 -11.077 3.064 -4.293 72 1HB PRO 10 HB2 PRO 10 -11.626 2.181 -6.945 73 2HB PRO 10 HB1 PRO 10 -11.304 3.833 -6.410 74 1HG PRO 10 HG2 PRO 10 -9.593 2.069 -7.947 75 2HG PRO 10 HG1 PRO 10 -9.350 3.773 -7.551 76 1HD PRO 10 HD2 PRO 10 -7.952 1.520 -6.459 77 2HD PRO 10 HD1 PRO 10 -7.797 3.227 -5.974 78 H GLY 11 HN GLY 11 -9.767 -0.051 -4.752 79 1HA GLY 11 HA2 GLY 11 -12.262 -1.501 -5.133 80 2HA GLY 11 HA1 GLY 11 -10.709 -2.215 -4.695 81 H MET 12 HN MET 12 -11.223 0.289 -2.593 82 HA MET 12 HA MET 12 -12.144 -1.579 -0.473 83 1HB MET 12 HB2 MET 12 -11.146 0.092 1.001 84 2HB MET 12 HB1 MET 12 -10.013 -0.284 -0.292 85 1HG MET 12 HG2 MET 12 -9.947 2.039 -0.313 86 2HG MET 12 HG1 MET 12 -11.215 1.740 -1.500 87 1HE MET 12 HE3 MET 12 -12.773 2.821 -1.731 88 2HE MET 12 HE2 MET 12 -14.152 2.960 -0.642 89 3HE MET 12 HE1 MET 12 -13.031 4.309 -0.810 90 H THR 13 HN THR 13 -13.525 -0.407 1.279 91 HA THR 13 HA THR 13 -15.175 1.833 0.565 92 HB THR 13 HB THR 13 -15.965 0.381 -1.180 93 HG1 THR 13 HG1 THR 13 -17.508 1.528 0.290 94 1HG2 THR 13 HG23 THR 13 -15.953 -1.632 1.028 95 2HG2 THR 13 HG22 THR 13 -17.145 -1.818 -0.258 96 3HG2 THR 13 HG21 THR 13 -15.424 -1.801 -0.646 97 H CYS 14 HN CYS 14 -14.022 0.011 2.988 98 HA CYS 14 HA CYS 14 -15.799 1.033 4.958 99 1HB CYS 14 HB2 CYS 14 -17.410 -0.586 5.204 100 2HB CYS 14 HB1 CYS 14 -17.032 -0.910 3.520 101 H ALA 15 HN ALA 15 -15.590 -0.989 6.933 102 HA ALA 15 HA ALA 15 -12.718 -0.805 7.553 103 1HB ALA 15 HB2 ALA 15 -14.992 -0.624 8.999 104 2HB ALA 15 HB1 ALA 15 -14.640 -2.336 9.240 105 3HB ALA 15 HB3 ALA 15 -13.457 -1.117 9.714 106 H ALA 16 HN ALA 16 -12.886 -2.409 5.345 107 HA ALA 16 HA ALA 16 -11.770 -4.924 6.261 108 1HB ALA 16 HB3 ALA 16 -14.593 -4.679 6.065 109 2HB ALA 16 HB2 ALA 16 -14.075 -5.709 4.729 110 3HB ALA 16 HB1 ALA 16 -13.662 -6.141 6.389 111 H CYS 17 HN CYS 17 -11.448 -2.658 4.211 112 HA CYS 17 HA CYS 17 -10.524 -4.367 2.015 113 1HB CYS 17 HB2 CYS 17 -12.492 -2.123 1.467 114 2HB CYS 17 HB1 CYS 17 -11.777 -3.205 0.288 115 HA PRO 18 HA PRO 18 -8.638 -0.033 1.397 116 1HB PRO 18 HB2 PRO 18 -9.263 1.854 3.370 117 2HB PRO 18 HB1 PRO 18 -9.973 1.788 1.755 118 1HG PRO 18 HG2 PRO 18 -11.211 1.152 4.322 119 2HG PRO 18 HG1 PRO 18 -11.974 1.378 2.747 120 1HD PRO 18 HD2 PRO 18 -11.509 -1.080 4.129 121 2HD PRO 18 HD1 PRO 18 -12.212 -0.869 2.515 122 H ILE 19 HN ILE 19 -9.359 -0.422 4.869 123 HA ILE 19 HA ILE 19 -6.658 -0.012 5.796 124 HB ILE 19 HB ILE 19 -9.287 -1.028 6.779 125 1HG1 ILE 19 HG12 ILE 19 -7.241 0.862 7.977 126 2HG1 ILE 19 HG11 ILE 19 -8.543 1.359 6.896 127 1HG2 ILE 19 HG23 ILE 19 -6.645 -1.751 8.028 128 2HG2 ILE 19 HG22 ILE 19 -8.078 -1.515 9.029 129 3HG2 ILE 19 HG21 ILE 19 -8.067 -2.764 7.784 130 1HD1 ILE 19 HD11 ILE 19 -9.768 -0.226 8.878 131 2HD1 ILE 19 HD13 ILE 19 -8.649 0.831 9.738 132 3HD1 ILE 19 HD12 ILE 19 -9.889 1.524 8.692 133 H THR 20 HN THR 20 -8.376 -2.739 4.430 134 HA THR 20 HA THR 20 -6.725 -4.898 5.337 135 HB THR 20 HB THR 20 -8.020 -4.702 2.612 136 HG1 THR 20 HG1 THR 20 -9.299 -4.952 5.133 137 1HG2 THR 20 HG23 THR 20 -7.503 -6.844 4.664 138 2HG2 THR 20 HG22 THR 20 -8.776 -7.054 3.462 139 3HG2 THR 20 HG21 THR 20 -7.104 -6.835 2.946 140 H VAL 21 HN VAL 21 -6.360 -2.372 3.005 141 HA VAL 21 HA VAL 21 -4.239 -3.557 1.453 142 HB VAL 21 HB VAL 21 -5.099 -0.686 1.941 143 1HG1 VAL 21 HG11 VAL 21 -2.950 -1.885 0.344 144 2HG1 VAL 21 HG13 VAL 21 -4.026 -0.858 -0.604 145 3HG1 VAL 21 HG12 VAL 21 -3.199 -0.202 0.809 146 1HG2 VAL 21 HG23 VAL 21 -6.056 -2.887 0.179 147 2HG2 VAL 21 HG22 VAL 21 -6.958 -1.557 0.907 148 3HG2 VAL 21 HG21 VAL 21 -5.977 -1.276 -0.531 149 H LYS 22 HN LYS 22 -4.507 -1.604 4.367 150 HA LYS 22 HA LYS 22 -1.791 -0.823 4.665 151 1HB LYS 22 HB2 LYS 22 -3.852 -0.082 5.978 152 2HB LYS 22 HB1 LYS 22 -3.764 -1.620 6.835 153 1HG LYS 22 HG2 LYS 22 -1.314 -0.990 7.337 154 2HG LYS 22 HG1 LYS 22 -1.772 0.644 6.852 155 1HD LYS 22 HD2 LYS 22 -2.995 0.993 8.739 156 2HD LYS 22 HD1 LYS 22 -3.641 -0.648 8.736 157 1HE LYS 22 HE2 LYS 22 -1.259 -1.386 9.450 158 2HE LYS 22 HE1 LYS 22 -1.007 0.325 9.851 159 1HZ LYS 22 HZ2 LYS 22 -3.319 0.087 10.954 160 2HZ LYS 22 HZ1 LYS 22 -2.958 -1.573 10.975 161 3HZ LYS 22 HZ3 LYS 22 -1.947 -0.476 11.783 162 H LYS 23 HN LYS 23 -3.609 -3.737 5.399 163 HA LYS 23 HA LYS 23 -1.505 -5.084 6.815 164 1HB LYS 23 HB2 LYS 23 -4.054 -5.518 6.706 165 2HB LYS 23 HB1 LYS 23 -3.696 -6.392 5.216 166 1HG LYS 23 HG2 LYS 23 -2.463 -6.969 7.926 167 2HG LYS 23 HG1 LYS 23 -3.729 -7.924 7.154 168 1HD LYS 23 HD2 LYS 23 -1.949 -7.922 5.146 169 2HD LYS 23 HD1 LYS 23 -0.828 -7.736 6.496 170 1HE LYS 23 HE2 LYS 23 -2.978 -9.815 6.725 171 2HE LYS 23 HE1 LYS 23 -1.560 -10.164 5.714 172 1HZ LYS 23 HZ1 LYS 23 -0.143 -9.452 7.566 173 2HZ LYS 23 HZ3 LYS 23 -1.516 -9.224 8.536 174 3HZ LYS 23 HZ2 LYS 23 -1.107 -10.783 7.995 175 H ALA 24 HN ALA 24 -2.484 -4.951 3.457 176 HA ALA 24 HA ALA 24 -0.831 -6.989 2.396 177 1HB ALA 24 HB1 ALA 24 -2.759 -5.651 1.361 178 2HB ALA 24 HB3 ALA 24 -1.561 -4.402 1.021 179 3HB ALA 24 HB2 ALA 24 -1.394 -6.003 0.302 180 H LEU 25 HN LEU 25 -0.196 -3.443 2.411 181 HA LEU 25 HA LEU 25 2.495 -3.643 1.444 182 1HB LEU 25 HB2 LEU 25 1.406 -1.525 3.310 183 2HB LEU 25 HB1 LEU 25 2.598 -1.326 2.026 184 HG LEU 25 HG LEU 25 0.231 -2.432 0.868 185 1HD1 LEU 25 HD13 LEU 25 -0.603 -1.242 3.097 186 2HD1 LEU 25 HD12 LEU 25 -0.407 0.211 2.118 187 3HD1 LEU 25 HD11 LEU 25 -1.499 -1.070 1.589 188 1HD2 LEU 25 HD22 LEU 25 2.025 -0.111 0.601 189 2HD2 LEU 25 HD21 LEU 25 1.288 -1.109 -0.652 190 3HD2 LEU 25 HD23 LEU 25 0.371 0.208 0.079 191 H SER 26 HN SER 26 1.120 -3.802 4.692 192 HA SER 26 HA SER 26 3.601 -3.582 6.145 193 1HB SER 26 HB2 SER 26 2.216 -4.042 7.989 194 2HB SER 26 HB1 SER 26 1.056 -3.404 6.828 195 HG SER 26 HG SER 26 0.905 -5.681 8.004 196 H LYS 27 HN LYS 27 2.054 -6.075 4.329 197 HA LYS 27 HA LYS 27 4.032 -8.050 5.363 198 1HB LYS 27 HB2 LYS 27 2.108 -9.118 5.941 199 2HB LYS 27 HB1 LYS 27 1.132 -8.046 4.946 200 1HG LYS 27 HG2 LYS 27 2.773 -10.299 3.771 201 2HG LYS 27 HG1 LYS 27 1.106 -10.511 4.295 202 1HD LYS 27 HD2 LYS 27 0.889 -8.239 2.788 203 2HD LYS 27 HD1 LYS 27 2.159 -9.105 1.921 204 1HE LYS 27 HE2 LYS 27 -0.051 -10.863 2.727 205 2HE LYS 27 HE1 LYS 27 -0.553 -9.571 1.619 206 1HZ LYS 27 HZ2 LYS 27 1.582 -10.133 0.367 207 2HZ LYS 27 HZ1 LYS 27 1.576 -11.589 1.242 208 3HZ LYS 27 HZ3 LYS 27 0.283 -11.216 0.211 209 H VAL 28 HN VAL 28 3.579 -6.042 2.843 210 HA VAL 28 HA VAL 28 3.600 -7.582 0.478 211 HB VAL 28 HB VAL 28 3.391 -5.138 0.590 212 1HG1 VAL 28 HG13 VAL 28 5.276 -5.067 2.418 213 2HG1 VAL 28 HG12 VAL 28 6.354 -4.912 1.031 214 3HG1 VAL 28 HG11 VAL 28 5.093 -3.710 1.307 215 1HG2 VAL 28 HG21 VAL 28 5.047 -6.609 -1.224 216 2HG2 VAL 28 HG23 VAL 28 4.093 -5.161 -1.548 217 3HG2 VAL 28 HG22 VAL 28 5.762 -5.012 -0.998 218 H GLU 29 HN GLU 29 6.462 -6.513 2.393 219 HA GLU 29 HA GLU 29 7.947 -8.897 2.062 220 1HB GLU 29 HB2 GLU 29 7.743 -7.161 -0.282 221 2HB GLU 29 HB1 GLU 29 9.418 -7.475 0.175 222 1HG GLU 29 HG2 GLU 29 8.179 -9.948 0.460 223 2HG GLU 29 HG1 GLU 29 7.457 -9.279 -1.004 224 H GLY 30 HN GLY 30 9.372 -5.832 1.073 225 1HA GLY 30 HA2 GLY 30 11.040 -5.879 3.520 226 2HA GLY 30 HA1 GLY 30 11.353 -4.923 2.076 227 H VAL 31 HN VAL 31 8.111 -4.709 3.004 228 HA VAL 31 HA VAL 31 7.937 -1.970 3.394 229 HB VAL 31 HB VAL 31 6.095 -3.685 3.376 230 1HG1 VAL 31 HG11 VAL 31 6.940 -4.017 6.271 231 2HG1 VAL 31 HG13 VAL 31 5.488 -4.707 5.548 232 3HG1 VAL 31 HG12 VAL 31 7.079 -5.240 5.008 233 1HG2 VAL 31 HG23 VAL 31 6.309 -1.286 5.021 234 2HG2 VAL 31 HG22 VAL 31 4.977 -1.821 3.997 235 3HG2 VAL 31 HG21 VAL 31 5.106 -2.408 5.656 236 H SER 32 HN SER 32 8.605 -0.553 4.885 237 HA SER 32 HA SER 32 9.891 -1.609 7.371 238 1HB SER 32 HB2 SER 32 10.900 -0.041 5.359 239 2HB SER 32 HB1 SER 32 10.353 1.180 6.504 240 HG SER 32 HG SER 32 12.520 0.432 6.875 241 H LYS 33 HN LYS 33 7.351 0.256 6.052 242 HA LYS 33 HA LYS 33 6.190 0.705 8.708 243 1HB LYS 33 HB2 LYS 33 7.527 2.591 8.901 244 2HB LYS 33 HB1 LYS 33 7.628 2.826 7.160 245 1HG LYS 33 HG2 LYS 33 5.643 4.002 7.065 246 2HG LYS 33 HG1 LYS 33 4.951 3.143 8.441 247 1HD LYS 33 HD2 LYS 33 6.652 4.348 9.898 248 2HD LYS 33 HD1 LYS 33 7.008 5.359 8.496 249 1HE LYS 33 HE2 LYS 33 4.281 5.039 9.807 250 2HE LYS 33 HE1 LYS 33 5.318 6.477 9.886 251 1HZ LYS 33 HZ3 LYS 33 5.293 6.018 7.264 252 2HZ LYS 33 HZ2 LYS 33 3.743 5.452 7.666 253 3HZ LYS 33 HZ1 LYS 33 4.188 7.050 8.033 254 H VAL 34 HN VAL 34 3.950 1.553 8.477 255 HA VAL 34 HA VAL 34 2.922 1.829 5.718 256 HB VAL 34 HB VAL 34 2.265 -0.462 7.584 257 1HG1 VAL 34 HG11 VAL 34 0.828 0.683 5.228 258 2HG1 VAL 34 HG13 VAL 34 0.892 -1.073 5.377 259 3HG1 VAL 34 HG12 VAL 34 0.178 -0.104 6.665 260 1HG2 VAL 34 HG23 VAL 34 3.583 -0.228 4.872 261 2HG2 VAL 34 HG22 VAL 34 4.259 -0.913 6.349 262 3HG2 VAL 34 HG21 VAL 34 2.967 -1.758 5.497 263 H ASP 35 HN ASP 35 1.006 2.927 5.632 264 HA ASP 35 HA ASP 35 -0.584 3.374 8.110 265 1HB ASP 35 HB2 ASP 35 1.138 5.267 6.648 266 2HB ASP 35 HB1 ASP 35 -0.516 5.850 6.837 267 H VAL 36 HN VAL 36 -2.848 4.094 7.441 268 HA VAL 36 HA VAL 36 -3.354 3.915 4.529 269 HB VAL 36 HB VAL 36 -3.186 1.607 5.538 270 1HG1 VAL 36 HG12 VAL 36 -5.722 2.543 6.918 271 2HG1 VAL 36 HG11 VAL 36 -5.144 0.879 6.892 272 3HG1 VAL 36 HG13 VAL 36 -4.203 2.126 7.710 273 1HG2 VAL 36 HG22 VAL 36 -4.790 2.539 3.567 274 2HG2 VAL 36 HG21 VAL 36 -4.753 0.841 4.044 275 3HG2 VAL 36 HG23 VAL 36 -6.014 1.905 4.667 276 H GLY 37 HN GLY 37 -5.674 4.122 4.022 277 1HA GLY 37 HA2 GLY 37 -7.194 5.664 6.067 278 2HA GLY 37 HA1 GLY 37 -7.064 6.248 4.402 279 H PHE 38 HN PHE 38 -8.862 4.345 6.492 280 HA PHE 38 HA PHE 38 -9.855 2.179 5.070 281 1HB PHE 38 HB2 PHE 38 -11.692 2.355 6.611 282 2HB PHE 38 HB1 PHE 38 -10.275 2.989 7.436 283 HD1 PHE 38 HD1 PHE 38 -10.032 5.742 6.331 284 HD2 PHE 38 HD2 PHE 38 -13.533 3.509 7.444 285 HE1 PHE 38 HE1 PHE 38 -11.250 7.850 6.723 286 HE2 PHE 38 HE2 PHE 38 -14.750 5.632 7.836 287 HZ PHE 38 HZ PHE 38 -13.608 7.801 7.476 288 H GLU 39 HN GLU 39 -12.747 3.422 5.184 289 HA GLU 39 HA GLU 39 -13.689 3.405 2.694 290 1HB GLU 39 HB2 GLU 39 -14.384 4.636 5.093 291 2HB GLU 39 HB1 GLU 39 -14.445 5.948 3.915 292 1HG GLU 39 HG2 GLU 39 -15.952 4.686 2.496 293 2HG GLU 39 HG1 GLU 39 -15.793 3.262 3.526 294 H LYS 40 HN LYS 40 -11.475 5.974 3.785 295 HA LYS 40 HA LYS 40 -11.778 7.558 1.335 296 1HB LYS 40 HB2 LYS 40 -10.009 7.553 3.779 297 2HB LYS 40 HB1 LYS 40 -9.702 8.665 2.444 298 1HG LYS 40 HG2 LYS 40 -12.152 9.358 2.633 299 2HG LYS 40 HG1 LYS 40 -12.189 8.468 4.156 300 1HD LYS 40 HD2 LYS 40 -10.093 9.859 4.782 301 2HD LYS 40 HD1 LYS 40 -10.569 10.913 3.451 302 1HE LYS 40 HE2 LYS 40 -12.581 11.547 4.505 303 2HE LYS 40 HE1 LYS 40 -12.572 10.129 5.573 304 1HZ LYS 40 HZ2 LYS 40 -10.222 11.198 6.178 305 2HZ LYS 40 HZ1 LYS 40 -11.068 12.616 5.787 306 3HZ LYS 40 HZ3 LYS 40 -11.649 11.595 7.010 307 H ARG 41 HN ARG 41 -10.886 4.674 1.138 308 HA ARG 41 HA ARG 41 -8.928 3.415 0.444 309 1HB ARG 41 HB2 ARG 41 -9.265 3.427 -1.919 310 2HB ARG 41 HB1 ARG 41 -10.811 3.828 -1.181 311 1HG ARG 41 HG2 ARG 41 -10.864 5.673 -2.460 312 2HG ARG 41 HG1 ARG 41 -9.493 6.291 -1.543 313 1HD ARG 41 HD2 ARG 41 -8.204 6.108 -3.408 314 2HD ARG 41 HD1 ARG 41 -8.497 4.359 -3.419 315 HE ARG 41 HE ARG 41 -10.862 5.531 -4.380 316 1HH1 ARG 41 HH21 ARG 41 -7.511 5.461 -5.216 317 2HH1 ARG 41 HH22 ARG 41 -7.801 5.665 -6.912 318 1HH2 ARG 41 HH11 ARG 41 -11.250 5.793 -6.579 319 2HH2 ARG 41 HH12 ARG 41 -9.917 5.855 -7.683 320 H GLU 42 HN GLU 42 -7.008 4.337 1.484 321 HA GLU 42 HA GLU 42 -5.186 5.503 -0.499 322 1HB GLU 42 HB2 GLU 42 -6.826 7.246 0.889 323 2HB GLU 42 HB1 GLU 42 -5.337 7.286 1.833 324 1HG GLU 42 HG2 GLU 42 -4.038 7.929 -0.074 325 2HG GLU 42 HG1 GLU 42 -5.373 7.594 -1.177 326 H ALA 43 HN ALA 43 -3.468 4.114 -0.032 327 HA ALA 43 HA ALA 43 -2.745 3.748 2.854 328 1HB ALA 43 HB1 ALA 43 -3.351 1.905 0.976 329 2HB ALA 43 HB3 ALA 43 -1.612 2.031 0.713 330 3HB ALA 43 HB2 ALA 43 -2.233 1.581 2.301 331 H VAL 44 HN VAL 44 -0.885 4.755 3.537 332 HA VAL 44 HA VAL 44 1.114 5.586 1.462 333 HB VAL 44 HB VAL 44 -0.119 7.293 2.917 334 1HG1 VAL 44 HG11 VAL 44 0.236 5.626 4.945 335 2HG1 VAL 44 HG13 VAL 44 1.753 6.509 5.118 336 3HG1 VAL 44 HG12 VAL 44 0.216 7.370 5.210 337 1HG2 VAL 44 HG21 VAL 44 2.211 7.548 1.818 338 2HG2 VAL 44 HG23 VAL 44 1.798 8.671 3.113 339 3HG2 VAL 44 HG22 VAL 44 2.855 7.298 3.440 340 H VAL 45 HN VAL 45 2.790 4.112 1.432 341 HA VAL 45 HA VAL 45 3.622 2.992 4.099 342 HB VAL 45 HB VAL 45 3.165 1.729 1.404 343 1HG1 VAL 45 HG11 VAL 45 5.066 0.916 3.558 344 2HG1 VAL 45 HG13 VAL 45 4.102 -0.355 2.807 345 3HG1 VAL 45 HG12 VAL 45 5.163 0.650 1.818 346 1HG2 VAL 45 HG23 VAL 45 1.903 1.754 4.030 347 2HG2 VAL 45 HG22 VAL 45 1.271 1.157 2.495 348 3HG2 VAL 45 HG21 VAL 45 2.270 0.112 3.505 349 H THR 46 HN THR 46 5.771 2.571 4.428 350 HA THR 46 HA THR 46 7.747 3.756 2.500 351 HB THR 46 HB THR 46 7.485 3.562 5.499 352 HG1 THR 46 HG1 THR 46 8.122 5.747 5.287 353 1HG2 THR 46 HG23 THR 46 10.075 3.896 3.954 354 2HG2 THR 46 HG22 THR 46 9.895 4.219 5.679 355 3HG2 THR 46 HG21 THR 46 9.671 2.583 5.061 356 H PHE 47 HN PHE 47 9.811 2.458 2.402 357 HA PHE 47 HA PHE 47 9.878 -0.182 3.601 358 1HB PHE 47 HB2 PHE 47 9.443 -1.410 1.497 359 2HB PHE 47 HB1 PHE 47 8.050 -0.425 1.953 360 HD1 PHE 47 HD2 PHE 47 10.961 -0.678 -0.336 361 HD2 PHE 47 HD1 PHE 47 7.415 1.537 0.682 362 HE1 PHE 47 HE2 PHE 47 11.127 0.566 -2.463 363 HE2 PHE 47 HE1 PHE 47 7.583 2.774 -1.458 364 HZ PHE 47 HZ PHE 47 9.436 2.286 -3.028 365 H ASP 48 HN ASP 48 11.408 -1.573 2.015 366 HA ASP 48 HA ASP 48 13.789 0.150 1.537 367 1HB ASP 48 HB2 ASP 48 13.547 -2.855 1.930 368 2HB ASP 48 HB1 ASP 48 15.043 -1.920 1.933 369 H ASP 49 HN ASP 49 14.221 0.488 -0.612 370 HA ASP 49 HA ASP 49 12.605 -0.805 -2.623 371 1HB ASP 49 HB2 ASP 49 13.415 0.884 -3.931 372 2HB ASP 49 HB1 ASP 49 13.979 1.523 -2.391 373 H THR 50 HN THR 50 15.082 -2.165 -0.943 374 HA THR 50 HA THR 50 16.475 -3.472 -3.190 375 HB THR 50 HB THR 50 17.334 -4.786 -1.026 376 HG1 THR 50 HG1 THR 50 17.077 -3.565 0.807 377 1HG2 THR 50 HG22 THR 50 18.628 -3.201 -2.465 378 2HG2 THR 50 HG21 THR 50 18.002 -1.868 -1.496 379 3HG2 THR 50 HG23 THR 50 19.045 -3.082 -0.756 380 H LYS 51 HN LYS 51 13.944 -4.220 -0.826 381 HA LYS 51 HA LYS 51 13.565 -6.875 -2.169 382 1HB LYS 51 HB2 LYS 51 13.870 -6.055 0.587 383 2HB LYS 51 HB1 LYS 51 12.299 -6.826 0.363 384 1HG LYS 51 HG2 LYS 51 13.703 -8.598 -1.000 385 2HG LYS 51 HG1 LYS 51 15.043 -7.968 -0.040 386 1HD LYS 51 HD2 LYS 51 12.434 -9.010 1.103 387 2HD LYS 51 HD1 LYS 51 13.947 -9.916 1.052 388 1HE LYS 51 HE2 LYS 51 14.842 -7.652 2.235 389 2HE LYS 51 HE1 LYS 51 13.165 -7.655 2.820 390 1HZ LYS 51 HZ1 LYS 51 13.699 -10.208 3.088 391 2HZ LYS 51 HZ3 LYS 51 15.284 -9.628 3.253 392 3HZ LYS 51 HZ2 LYS 51 14.070 -9.093 4.315 393 H ALA 52 HN ALA 52 12.273 -3.807 -1.800 394 HA ALA 52 HA ALA 52 9.606 -4.752 -2.728 395 1HB ALA 52 HB3 ALA 52 9.662 -4.458 -0.216 396 2HB ALA 52 HB2 ALA 52 10.006 -2.750 -0.488 397 3HB ALA 52 HB1 ALA 52 8.479 -3.439 -1.037 398 H SER 53 HN SER 53 8.280 -2.438 -3.006 399 HA SER 53 HA SER 53 9.766 -0.129 -3.831 400 1HB SER 53 HB2 SER 53 10.096 -2.331 -5.488 401 2HB SER 53 HB1 SER 53 8.842 -1.403 -6.305 402 HG SER 53 HG SER 53 10.212 0.228 -6.578 403 H VAL 54 HN VAL 54 8.301 1.507 -4.703 404 HA VAL 54 HA VAL 54 5.701 1.615 -3.821 405 HB VAL 54 HB VAL 54 5.437 3.310 -5.580 406 1HG1 VAL 54 HG12 VAL 54 7.685 3.104 -3.779 407 2HG1 VAL 54 HG11 VAL 54 8.118 4.053 -5.202 408 3HG1 VAL 54 HG13 VAL 54 6.738 4.528 -4.212 409 1HG2 VAL 54 HG23 VAL 54 7.641 1.716 -6.804 410 2HG2 VAL 54 HG22 VAL 54 6.251 2.478 -7.577 411 3HG2 VAL 54 HG21 VAL 54 7.633 3.458 -7.083 412 H GLN 55 HN GLN 55 6.897 -0.005 -6.721 413 HA GLN 55 HA GLN 55 4.319 -0.569 -7.900 414 1HB GLN 55 HB2 GLN 55 6.864 -0.709 -8.717 415 2HB GLN 55 HB1 GLN 55 6.691 -2.382 -8.186 416 1HG GLN 55 HG2 GLN 55 4.404 -2.161 -9.574 417 2HG GLN 55 HG1 GLN 55 5.366 -0.965 -10.445 418 1HE2 GLN 55 HE22 GLN 55 5.932 -4.515 -11.765 419 2HE2 GLN 55 HE21 GLN 55 4.496 -3.700 -11.373 420 H LYS 56 HN LYS 56 6.537 -2.440 -5.822 421 HA LYS 56 HA LYS 56 4.911 -4.773 -5.563 422 1HB LYS 56 HB2 LYS 56 6.885 -3.572 -3.595 423 2HB LYS 56 HB1 LYS 56 6.452 -5.276 -3.747 424 1HG LYS 56 HG2 LYS 56 7.218 -4.883 -6.266 425 2HG LYS 56 HG1 LYS 56 8.166 -3.593 -5.527 426 1HD LYS 56 HD2 LYS 56 9.595 -5.051 -4.549 427 2HD LYS 56 HD1 LYS 56 8.288 -6.119 -4.037 428 1HE LYS 56 HE2 LYS 56 9.186 -5.977 -6.926 429 2HE LYS 56 HE1 LYS 56 9.918 -7.100 -5.764 430 1HZ LYS 56 HZ1 LYS 56 7.027 -6.966 -5.687 431 2HZ LYS 56 HZ3 LYS 56 7.659 -7.617 -7.120 432 3HZ LYS 56 HZ2 LYS 56 8.053 -8.320 -5.624 433 H LEU 57 HN LEU 57 4.767 -1.627 -3.978 434 HA LEU 57 HA LEU 57 3.158 -2.478 -1.713 435 1HB LEU 57 HB2 LEU 57 3.301 0.224 -3.093 436 2HB LEU 57 HB1 LEU 57 2.843 -0.081 -1.420 437 HG LEU 57 HG LEU 57 5.575 -0.696 -2.585 438 1HD1 LEU 57 HD11 LEU 57 4.517 1.794 -2.059 439 2HD1 LEU 57 HD13 LEU 57 5.321 1.394 -0.541 440 3HD1 LEU 57 HD12 LEU 57 6.235 1.399 -2.049 441 1HD2 LEU 57 HD21 LEU 57 4.370 -0.846 0.185 442 2HD2 LEU 57 HD23 LEU 57 5.214 -2.115 -0.705 443 3HD2 LEU 57 HD22 LEU 57 6.112 -0.738 -0.066 444 H THR 58 HN THR 58 2.383 -0.805 -4.773 445 HA THR 58 HA THR 58 -0.462 -0.909 -4.528 446 HB THR 58 HB THR 58 1.133 -1.032 -7.098 447 HG1 THR 58 HG1 THR 58 2.068 0.744 -6.552 448 1HG2 THR 58 HG21 THR 58 -1.524 0.021 -6.212 449 2HG2 THR 58 HG23 THR 58 -0.692 0.830 -7.540 450 3HG2 THR 58 HG22 THR 58 -1.106 -0.879 -7.670 451 H LYS 59 HN LYS 59 1.958 -3.241 -5.442 452 HA LYS 59 HA LYS 59 0.119 -5.092 -6.761 453 1HB LYS 59 HB2 LYS 59 2.907 -4.673 -6.462 454 2HB LYS 59 HB1 LYS 59 2.572 -6.255 -5.759 455 1HG LYS 59 HG2 LYS 59 1.487 -6.996 -7.797 456 2HG LYS 59 HG1 LYS 59 1.610 -5.382 -8.497 457 1HD LYS 59 HD2 LYS 59 4.124 -5.577 -8.262 458 2HD LYS 59 HD1 LYS 59 3.883 -7.270 -7.832 459 1HE LYS 59 HE2 LYS 59 2.434 -6.468 -10.270 460 2HE LYS 59 HE1 LYS 59 4.201 -6.363 -10.413 461 1HZ LYS 59 HZ2 LYS 59 4.310 -8.594 -9.368 462 2HZ LYS 59 HZ1 LYS 59 2.618 -8.696 -9.480 463 3HZ LYS 59 HZ3 LYS 59 3.554 -8.601 -10.890 464 H ALA 60 HN ALA 60 1.355 -4.512 -3.510 465 HA ALA 60 HA ALA 60 0.596 -7.050 -2.366 466 1HB ALA 60 HB1 ALA 60 1.426 -4.335 -1.499 467 2HB ALA 60 HB3 ALA 60 0.497 -5.251 -0.313 468 3HB ALA 60 HB2 ALA 60 2.004 -5.908 -0.951 469 H THR 61 HN THR 61 -1.057 -3.878 -2.568 470 HA THR 61 HA THR 61 -3.492 -4.852 -1.272 471 HB THR 61 HB THR 61 -2.699 -2.470 -1.427 472 HG1 THR 61 HG1 THR 61 -5.157 -2.675 -2.766 473 1HG2 THR 61 HG21 THR 61 -1.913 -2.674 -3.801 474 2HG2 THR 61 HG23 THR 61 -3.602 -2.692 -4.308 475 3HG2 THR 61 HG22 THR 61 -2.933 -1.264 -3.519 476 H ALA 62 HN ALA 62 -2.274 -4.432 -4.556 477 HA ALA 62 HA ALA 62 -4.625 -5.111 -5.997 478 1HB ALA 62 HB3 ALA 62 -2.535 -4.168 -6.949 479 2HB ALA 62 HB2 ALA 62 -1.695 -5.675 -6.582 480 3HB ALA 62 HB1 ALA 62 -2.987 -5.654 -7.782 481 H ASP 63 HN ASP 63 -2.291 -7.003 -4.190 482 HA ASP 63 HA ASP 63 -3.366 -9.570 -5.200 483 1HB ASP 63 HB2 ASP 63 -0.896 -8.810 -4.508 484 2HB ASP 63 HB1 ASP 63 -1.451 -9.315 -2.910 485 H ALA 64 HN ALA 64 -3.799 -7.348 -2.556 486 HA ALA 64 HA ALA 64 -4.894 -9.243 -0.645 487 1HB ALA 64 HB1 ALA 64 -3.964 -6.747 -0.481 488 2HB ALA 64 HB3 ALA 64 -5.656 -6.341 -0.768 489 3HB ALA 64 HB2 ALA 64 -5.208 -7.313 0.633 490 H GLY 65 HN GLY 65 -5.987 -7.724 -3.528 491 1HA GLY 65 HA2 GLY 65 -8.037 -8.652 -4.573 492 2HA GLY 65 HA1 GLY 65 -8.754 -8.672 -2.964 493 H TYR 66 HN TYR 66 -6.761 -6.013 -3.979 494 HA TYR 66 HA TYR 66 -9.193 -4.337 -4.449 495 1HB TYR 66 HB2 TYR 66 -6.853 -3.630 -2.650 496 2HB TYR 66 HB1 TYR 66 -8.355 -2.730 -2.842 497 HD1 TYR 66 HD1 TYR 66 -10.465 -4.618 -2.718 498 HD2 TYR 66 HD2 TYR 66 -6.768 -4.626 -0.523 499 HE1 TYR 66 HE1 TYR 66 -11.532 -5.958 -0.922 500 HE2 TYR 66 HE2 TYR 66 -7.836 -5.971 1.265 501 HH TYR 66 HH TYR 66 -9.651 -7.196 1.811 502 HA PRO 67 HA PRO 67 -6.105 -3.691 -7.817 503 1HB PRO 67 HB2 PRO 67 -8.340 -2.322 -9.091 504 2HB PRO 67 HB1 PRO 67 -7.502 -3.788 -9.611 505 1HG PRO 67 HG2 PRO 67 -10.111 -3.616 -8.497 506 2HG PRO 67 HG1 PRO 67 -9.203 -5.086 -8.864 507 1HD PRO 67 HD2 PRO 67 -9.859 -4.004 -6.261 508 2HD PRO 67 HD1 PRO 67 -8.967 -5.501 -6.633 509 H SER 68 HN SER 68 -4.915 -2.114 -6.634 510 HA SER 68 HA SER 68 -6.138 0.606 -6.409 511 1HB SER 68 HB2 SER 68 -5.265 -0.719 -4.410 512 2HB SER 68 HB1 SER 68 -3.652 -0.504 -5.084 513 HG SER 68 HG SER 68 -3.706 1.352 -4.110 514 H SER 69 HN SER 69 -3.923 2.146 -6.184 515 HA SER 69 HA SER 69 -2.209 1.705 -8.571 516 1HB SER 69 HB2 SER 69 -3.731 4.266 -7.991 517 2HB SER 69 HB1 SER 69 -2.797 3.888 -9.436 518 HG SER 69 HG SER 69 -5.166 2.602 -8.534 519 H VAL 70 HN VAL 70 -0.810 4.083 -8.452 520 HA VAL 70 HA VAL 70 -0.017 4.386 -5.602 521 HB VAL 70 HB VAL 70 1.125 2.565 -7.049 522 1HG1 VAL 70 HG11 VAL 70 1.502 4.177 -8.962 523 2HG1 VAL 70 HG13 VAL 70 2.703 4.989 -7.958 524 3HG1 VAL 70 HG12 VAL 70 2.949 3.312 -8.444 525 1HG2 VAL 70 HG23 VAL 70 2.107 4.384 -5.012 526 2HG2 VAL 70 HG22 VAL 70 2.428 2.661 -5.209 527 3HG2 VAL 70 HG21 VAL 70 3.430 3.844 -6.046 528 H LYS 71 HN LYS 71 1.233 6.312 -5.152 529 HA LYS 71 HA LYS 71 1.579 8.259 -7.379 530 1HB LYS 71 HB2 LYS 71 0.195 9.925 -6.136 531 2HB LYS 71 HB1 LYS 71 -0.744 8.520 -6.644 532 1HG LYS 71 HG2 LYS 71 0.264 7.757 -4.172 533 2HG LYS 71 HG1 LYS 71 -0.129 9.462 -3.947 534 1HD LYS 71 HD2 LYS 71 -2.271 8.374 -5.423 535 2HD LYS 71 HD1 LYS 71 -1.923 7.205 -4.149 536 1HE LYS 71 HE2 LYS 71 -1.752 9.642 -2.820 537 2HE LYS 71 HE1 LYS 71 -3.121 9.867 -3.926 538 1HZ LYS 71 HZ3 LYS 71 -3.564 7.381 -3.143 539 2HZ LYS 71 HZ2 LYS 71 -2.797 7.960 -1.743 540 3HZ LYS 71 HZ1 LYS 71 -4.204 8.718 -2.319 541 H GLN 72 HN GLN 72 3.665 7.148 -6.047 542 HA GLN 72 HA GLN 72 4.625 8.047 -3.626 543 1HB GLN 72 HB2 GLN 72 5.738 6.619 -5.408 544 2HB GLN 72 HB1 GLN 72 6.199 8.117 -6.216 545 1HG GLN 72 HG2 GLN 72 6.834 7.739 -3.303 546 2HG GLN 72 HG1 GLN 72 7.872 7.010 -4.527 547 1HE2 GLN 72 HE22 GLN 72 8.512 10.422 -5.938 548 2HE2 GLN 72 HE21 GLN 72 7.818 8.995 -6.540 No H/Q in entry = 548 Start of MODEL 9 1 1H ALA 1 HT3 ALA 1 -18.470 1.425 -1.678 2 2H ALA 1 HT2 ALA 1 -19.013 1.944 -0.154 3 3H ALA 1 HT1 ALA 1 -18.056 2.970 -1.113 4 HA ALA 1 HA ALA 1 -16.690 2.032 0.629 5 1HB ALA 1 HB3 ALA 1 -18.312 0.108 0.861 6 2HB ALA 1 HB2 ALA 1 -17.563 -0.614 -0.564 7 3HB ALA 1 HB1 ALA 1 -16.615 -0.371 0.904 8 H THR 2 HN THR 2 -15.576 3.268 -1.198 9 HA THR 2 HA THR 2 -13.637 1.541 -2.539 10 HB THR 2 HB THR 2 -14.353 3.437 -4.447 11 HG1 THR 2 HG1 THR 2 -16.377 3.836 -4.167 12 1HG2 THR 2 HG22 THR 2 -14.238 0.609 -4.129 13 2HG2 THR 2 HG21 THR 2 -15.738 1.002 -4.970 14 3HG2 THR 2 HG23 THR 2 -14.192 1.538 -5.628 15 H GLN 3 HN GLN 3 -12.195 2.559 -1.035 16 HA GLN 3 HA GLN 3 -11.940 5.537 -1.264 17 1HB GLN 3 HB2 GLN 3 -10.737 3.724 0.828 18 2HB GLN 3 HB1 GLN 3 -11.059 5.450 0.946 19 1HG GLN 3 HG2 GLN 3 -13.499 4.025 0.314 20 2HG GLN 3 HG1 GLN 3 -12.752 3.348 1.760 21 1HE2 GLN 3 HE22 GLN 3 -14.867 6.516 2.420 22 2HE2 GLN 3 HE21 GLN 3 -15.180 5.223 1.366 23 H THR 4 HN THR 4 -9.660 6.361 -0.981 24 HA THR 4 HA THR 4 -7.565 4.547 -2.080 25 HB THR 4 HB THR 4 -8.311 7.275 -3.196 26 HG1 THR 4 HG1 THR 4 -9.607 6.238 -4.459 27 1HG2 THR 4 HG22 THR 4 -6.090 5.359 -3.648 28 2HG2 THR 4 HG21 THR 4 -6.811 6.065 -5.095 29 3HG2 THR 4 HG23 THR 4 -6.128 7.110 -3.851 30 H VAL 5 HN VAL 5 -5.760 4.838 -0.838 31 HA VAL 5 HA VAL 5 -5.300 7.519 0.446 32 HB VAL 5 HB VAL 5 -4.614 4.864 1.699 33 1HG1 VAL 5 HG13 VAL 5 -5.029 7.701 2.638 34 2HG1 VAL 5 HG12 VAL 5 -5.061 6.347 3.767 35 3HG1 VAL 5 HG11 VAL 5 -3.604 6.681 2.830 36 1HG2 VAL 5 HG21 VAL 5 -7.281 6.052 1.288 37 2HG2 VAL 5 HG23 VAL 5 -6.844 4.406 1.744 38 3HG2 VAL 5 HG22 VAL 5 -6.921 5.670 2.972 39 H THR 6 HN THR 6 -2.976 7.695 1.161 40 HA THR 6 HA THR 6 -1.169 6.448 -0.860 41 HB THR 6 HB THR 6 -1.573 9.004 -0.679 42 HG1 THR 6 HG1 THR 6 1.121 8.329 -0.299 43 1HG2 THR 6 HG22 THR 6 -1.310 8.781 1.915 44 2HG2 THR 6 HG21 THR 6 0.417 8.851 1.565 45 3HG2 THR 6 HG23 THR 6 -0.631 10.191 1.101 46 H LEU 7 HN LEU 7 0.988 5.801 0.035 47 HA LEU 7 HA LEU 7 0.824 5.308 2.984 48 1HB LEU 7 HB2 LEU 7 0.756 3.462 0.746 49 2HB LEU 7 HB1 LEU 7 2.127 3.113 1.793 50 HG LEU 7 HG LEU 7 0.703 2.922 3.711 51 1HD1 LEU 7 HD11 LEU 7 -1.318 4.157 1.886 52 2HD1 LEU 7 HD13 LEU 7 -1.854 3.151 3.233 53 3HD1 LEU 7 HD12 LEU 7 -0.887 4.588 3.535 54 1HD2 LEU 7 HD21 LEU 7 0.376 1.295 1.385 55 2HD2 LEU 7 HD23 LEU 7 0.152 0.824 3.068 56 3HD2 LEU 7 HD22 LEU 7 -1.207 1.459 2.145 57 H ALA 8 HN ALA 8 2.807 5.123 4.039 58 HA ALA 8 HA ALA 8 5.230 5.965 2.474 59 1HB ALA 8 HB3 ALA 8 4.067 6.871 5.108 60 2HB ALA 8 HB2 ALA 8 5.788 7.070 4.778 61 3HB ALA 8 HB1 ALA 8 4.595 7.858 3.745 62 H VAL 9 HN VAL 9 6.260 3.942 2.378 63 HA VAL 9 HA VAL 9 6.530 2.428 4.951 64 HB VAL 9 HB VAL 9 5.442 1.182 3.211 65 1HG1 VAL 9 HG11 VAL 9 7.320 2.651 1.522 66 2HG1 VAL 9 HG13 VAL 9 7.195 0.950 1.084 67 3HG1 VAL 9 HG12 VAL 9 5.751 1.962 1.118 68 1HG2 VAL 9 HG22 VAL 9 8.181 0.496 4.009 69 2HG2 VAL 9 HG21 VAL 9 6.734 -0.509 3.982 70 3HG2 VAL 9 HG23 VAL 9 7.681 -0.287 2.511 71 HA PRO 10 HA PRO 10 10.736 4.204 4.354 72 1HB PRO 10 HB2 PRO 10 11.168 3.831 7.140 73 2HB PRO 10 HB1 PRO 10 10.799 5.349 6.314 74 1HG PRO 10 HG2 PRO 10 9.088 3.772 8.051 75 2HG PRO 10 HG1 PRO 10 8.800 5.379 7.378 76 1HD PRO 10 HD2 PRO 10 7.547 2.923 6.598 77 2HD PRO 10 HD1 PRO 10 7.355 4.522 5.839 78 H GLY 11 HN GLY 11 9.436 1.227 5.455 79 1HA GLY 11 HA2 GLY 11 11.869 -0.121 6.202 80 2HA GLY 11 HA1 GLY 11 10.364 -0.912 5.728 81 H MET 12 HN MET 12 10.846 1.088 3.239 82 HA MET 12 HA MET 12 12.768 -0.705 1.821 83 1HB MET 12 HB2 MET 12 11.090 -0.581 -0.106 84 2HB MET 12 HB1 MET 12 10.596 -1.549 1.281 85 1HG MET 12 HG2 MET 12 8.704 -0.210 0.756 86 2HG MET 12 HG1 MET 12 9.446 0.574 2.147 87 1HE MET 12 HE3 MET 12 7.861 0.694 -0.728 88 2HE MET 12 HE2 MET 12 7.557 2.420 -0.569 89 3HE MET 12 HE1 MET 12 8.532 1.827 -1.908 90 H THR 13 HN THR 13 13.674 0.282 -0.089 91 HA THR 13 HA THR 13 13.189 2.945 -0.998 92 HB THR 13 HB THR 13 13.952 3.395 1.347 93 HG1 THR 13 HG1 THR 13 15.959 4.172 -0.474 94 1HG2 THR 13 HG23 THR 13 15.594 1.300 1.046 95 2HG2 THR 13 HG22 THR 13 16.721 2.584 0.611 96 3HG2 THR 13 HG21 THR 13 15.936 2.598 2.191 97 H CYS 14 HN CYS 14 13.920 0.248 -1.941 98 HA CYS 14 HA CYS 14 16.059 0.983 -3.809 99 1HB CYS 14 HB2 CYS 14 17.751 -0.047 -2.692 100 2HB CYS 14 HB1 CYS 14 16.670 -0.152 -1.310 101 H ALA 15 HN ALA 15 15.448 0.037 -5.740 102 HA ALA 15 HA ALA 15 13.218 -1.383 -6.370 103 1HB ALA 15 HB3 ALA 15 14.940 -0.605 -7.945 104 2HB ALA 15 HB2 ALA 15 16.016 -1.898 -7.419 105 3HB ALA 15 HB1 ALA 15 14.522 -2.287 -8.272 106 H ALA 16 HN ALA 16 12.746 -2.769 -4.481 107 HA ALA 16 HA ALA 16 13.230 -5.548 -4.909 108 1HB ALA 16 HB3 ALA 16 15.448 -4.258 -3.934 109 2HB ALA 16 HB2 ALA 16 14.675 -4.786 -2.439 110 3HB ALA 16 HB1 ALA 16 15.112 -5.970 -3.672 111 H CYS 17 HN CYS 17 13.243 -3.578 -1.934 112 HA CYS 17 HA CYS 17 11.000 -5.094 -0.792 113 1HB CYS 17 HB2 CYS 17 12.196 -2.564 0.335 114 2HB CYS 17 HB1 CYS 17 11.567 -3.961 1.192 115 HA PRO 18 HA PRO 18 9.069 -0.568 -1.272 116 1HB PRO 18 HB2 PRO 18 10.265 0.010 -3.902 117 2HB PRO 18 HB1 PRO 18 10.065 1.089 -2.518 118 1HG PRO 18 HG2 PRO 18 12.466 0.078 -3.334 119 2HG PRO 18 HG1 PRO 18 12.118 0.570 -1.671 120 1HD PRO 18 HD2 PRO 18 12.461 -2.139 -2.776 121 2HD PRO 18 HD1 PRO 18 12.566 -1.595 -1.087 122 H ILE 19 HN ILE 19 10.018 -2.055 -4.363 123 HA ILE 19 HA ILE 19 7.522 -2.046 -5.675 124 HB ILE 19 HB ILE 19 9.898 -3.920 -5.672 125 1HG1 ILE 19 HG12 ILE 19 8.910 -1.843 -7.654 126 2HG1 ILE 19 HG11 ILE 19 10.229 -1.612 -6.505 127 1HG2 ILE 19 HG21 ILE 19 7.277 -4.324 -6.859 128 2HG2 ILE 19 HG23 ILE 19 8.530 -4.233 -8.096 129 3HG2 ILE 19 HG22 ILE 19 8.656 -5.422 -6.800 130 1HD1 ILE 19 HD12 ILE 19 10.917 -3.980 -7.754 131 2HD1 ILE 19 HD11 ILE 19 10.228 -3.027 -9.068 132 3HD1 ILE 19 HD13 ILE 19 11.583 -2.392 -8.136 133 H THR 20 HN THR 20 8.709 -4.149 -3.099 134 HA THR 20 HA THR 20 6.763 -6.260 -3.385 135 HB THR 20 HB THR 20 8.229 -5.301 -0.899 136 HG1 THR 20 HG1 THR 20 9.612 -7.179 -1.909 137 1HG2 THR 20 HG21 THR 20 7.186 -8.000 -1.806 138 2HG2 THR 20 HG23 THR 20 8.176 -7.744 -0.368 139 3HG2 THR 20 HG22 THR 20 6.568 -7.027 -0.471 140 H VAL 21 HN VAL 21 6.838 -3.151 -1.784 141 HA VAL 21 HA VAL 21 4.536 -3.466 -0.133 142 HB VAL 21 HB VAL 21 5.924 -1.097 -1.422 143 1HG1 VAL 21 HG11 VAL 21 3.568 -1.225 0.454 144 2HG1 VAL 21 HG13 VAL 21 4.656 0.163 0.464 145 3HG1 VAL 21 HG12 VAL 21 3.768 -0.250 -1.002 146 1HG2 VAL 21 HG23 VAL 21 6.222 -2.652 1.079 147 2HG2 VAL 21 HG22 VAL 21 7.420 -1.712 0.189 148 3HG2 VAL 21 HG21 VAL 21 6.289 -0.901 1.273 149 H LYS 22 HN LYS 22 5.086 -2.573 -3.493 150 HA LYS 22 HA LYS 22 2.411 -1.673 -4.043 151 1HB LYS 22 HB2 LYS 22 4.314 -1.046 -5.435 152 2HB LYS 22 HB1 LYS 22 4.665 -2.742 -5.772 153 1HG LYS 22 HG2 LYS 22 3.031 -2.896 -7.348 154 2HG LYS 22 HG1 LYS 22 1.904 -1.917 -6.409 155 1HD LYS 22 HD2 LYS 22 3.047 0.127 -7.090 156 2HD LYS 22 HD1 LYS 22 4.273 -0.811 -7.944 157 1HE LYS 22 HE2 LYS 22 1.835 -1.755 -8.966 158 2HE LYS 22 HE1 LYS 22 1.639 0.006 -8.869 159 1HZ LYS 22 HZ3 LYS 22 3.880 0.204 -9.874 160 2HZ LYS 22 HZ2 LYS 22 3.888 -1.476 -10.125 161 3HZ LYS 22 HZ1 LYS 22 2.742 -0.501 -10.915 162 H LYS 23 HN LYS 23 4.097 -4.759 -4.088 163 HA LYS 23 HA LYS 23 1.962 -6.209 -5.391 164 1HB LYS 23 HB2 LYS 23 4.232 -7.159 -3.622 165 2HB LYS 23 HB1 LYS 23 3.322 -8.156 -4.755 166 1HG LYS 23 HG2 LYS 23 5.325 -5.990 -5.333 167 2HG LYS 23 HG1 LYS 23 5.240 -7.621 -5.991 168 1HD LYS 23 HD2 LYS 23 2.994 -6.856 -7.038 169 2HD LYS 23 HD1 LYS 23 3.558 -5.220 -6.696 170 1HE LYS 23 HE2 LYS 23 4.613 -5.371 -8.719 171 2HE LYS 23 HE1 LYS 23 5.784 -6.399 -7.868 172 1HZ LYS 23 HZ3 LYS 23 3.920 -8.182 -8.246 173 2HZ LYS 23 HZ2 LYS 23 3.510 -7.175 -9.552 174 3HZ LYS 23 HZ1 LYS 23 5.064 -7.857 -9.455 175 H ALA 24 HN ALA 24 2.785 -5.338 -2.147 176 HA ALA 24 HA ALA 24 1.174 -7.155 -0.680 177 1HB ALA 24 HB2 ALA 24 3.020 -5.427 -0.010 178 2HB ALA 24 HB1 ALA 24 1.675 -4.293 0.106 179 3HB ALA 24 HB3 ALA 24 1.703 -5.733 1.123 180 H LEU 25 HN LEU 25 0.498 -3.863 -1.907 181 HA LEU 25 HA LEU 25 -2.264 -3.858 -0.971 182 1HB LEU 25 HB2 LEU 25 -1.072 -2.238 -3.234 183 2HB LEU 25 HB1 LEU 25 -2.356 -1.763 -2.124 184 HG LEU 25 HG LEU 25 0.001 -2.464 -0.623 185 1HD1 LEU 25 HD11 LEU 25 0.991 -1.804 -2.903 186 2HD1 LEU 25 HD13 LEU 25 0.424 -0.175 -2.543 187 3HD1 LEU 25 HD12 LEU 25 1.606 -0.952 -1.488 188 1HD2 LEU 25 HD23 LEU 25 -2.032 -0.392 -0.817 189 2HD2 LEU 25 HD22 LEU 25 -1.097 -0.904 0.589 190 3HD2 LEU 25 HD21 LEU 25 -0.441 0.308 -0.513 191 H SER 26 HN SER 26 -0.581 -4.744 -3.932 192 HA SER 26 HA SER 26 -2.861 -5.039 -5.643 193 1HB SER 26 HB2 SER 26 -0.421 -4.927 -6.280 194 2HB SER 26 HB1 SER 26 -0.224 -6.548 -5.621 195 HG SER 26 HG SER 26 -1.292 -5.730 -7.991 196 H LYS 27 HN LYS 27 -1.620 -6.863 -2.980 197 HA LYS 27 HA LYS 27 -3.549 -9.036 -3.633 198 1HB LYS 27 HB2 LYS 27 -1.919 -10.600 -2.707 199 2HB LYS 27 HB1 LYS 27 -1.131 -9.614 -3.940 200 1HG LYS 27 HG2 LYS 27 0.401 -9.512 -2.164 201 2HG LYS 27 HG1 LYS 27 -0.540 -8.038 -1.940 202 1HD LYS 27 HD2 LYS 27 -1.359 -8.741 0.030 203 2HD LYS 27 HD1 LYS 27 -1.781 -10.320 -0.630 204 1HE LYS 27 HE2 LYS 27 1.043 -10.290 -0.493 205 2HE LYS 27 HE1 LYS 27 0.466 -9.626 1.050 206 1HZ LYS 27 HZ3 LYS 27 -0.651 -12.065 -0.224 207 2HZ LYS 27 HZ2 LYS 27 0.538 -12.099 0.990 208 3HZ LYS 27 HZ1 LYS 27 -1.004 -11.466 1.323 209 H VAL 28 HN VAL 28 -3.179 -6.494 -1.634 210 HA VAL 28 HA VAL 28 -3.239 -7.381 1.014 211 HB VAL 28 HB VAL 28 -3.257 -5.026 0.230 212 1HG1 VAL 28 HG13 VAL 28 -5.027 -5.386 -1.527 213 2HG1 VAL 28 HG12 VAL 28 -6.221 -5.440 -0.229 214 3HG1 VAL 28 HG11 VAL 28 -5.294 -3.968 -0.513 215 1HG2 VAL 28 HG22 VAL 28 -4.633 -6.130 2.455 216 2HG2 VAL 28 HG21 VAL 28 -3.928 -4.520 2.314 217 3HG2 VAL 28 HG23 VAL 28 -5.611 -4.788 1.861 218 H GLU 29 HN GLU 29 -6.134 -7.051 -1.118 219 HA GLU 29 HA GLU 29 -7.402 -9.442 -0.479 220 1HB GLU 29 HB2 GLU 29 -8.982 -8.574 1.353 221 2HB GLU 29 HB1 GLU 29 -7.338 -8.946 1.846 222 1HG GLU 29 HG2 GLU 29 -6.939 -6.385 1.239 223 2HG GLU 29 HG1 GLU 29 -8.673 -6.288 1.533 224 H GLY 30 HN GLY 30 -8.233 -5.943 -0.463 225 1HA GLY 30 HA2 GLY 30 -10.319 -6.591 -2.509 226 2HA GLY 30 HA1 GLY 30 -10.601 -5.413 -1.232 227 H VAL 31 HN VAL 31 -7.410 -5.088 -2.130 228 HA VAL 31 HA VAL 31 -7.526 -2.502 -3.136 229 HB VAL 31 HB VAL 31 -5.683 -4.757 -3.152 230 1HG1 VAL 31 HG12 VAL 31 -5.723 -2.943 -5.565 231 2HG1 VAL 31 HG11 VAL 31 -4.224 -3.676 -4.992 232 3HG1 VAL 31 HG13 VAL 31 -5.562 -4.699 -5.516 233 1HG2 VAL 31 HG23 VAL 31 -5.840 -2.074 -2.293 234 2HG2 VAL 31 HG22 VAL 31 -4.518 -3.205 -2.008 235 3HG2 VAL 31 HG21 VAL 31 -4.481 -2.143 -3.414 236 H SER 32 HN SER 32 -8.312 -1.578 -4.918 237 HA SER 32 HA SER 32 -9.213 -3.336 -7.158 238 1HB SER 32 HB2 SER 32 -10.220 -0.905 -5.774 239 2HB SER 32 HB1 SER 32 -10.485 -0.966 -7.514 240 HG SER 32 HG SER 32 -11.386 -2.706 -5.488 241 H LYS 33 HN LYS 33 -6.982 -0.958 -6.193 242 HA LYS 33 HA LYS 33 -5.822 -0.850 -8.888 243 1HB LYS 33 HB2 LYS 33 -7.396 0.789 -9.386 244 2HB LYS 33 HB1 LYS 33 -7.505 1.336 -7.720 245 1HG LYS 33 HG2 LYS 33 -6.378 3.075 -8.886 246 2HG LYS 33 HG1 LYS 33 -5.113 2.218 -8.010 247 1HD LYS 33 HD2 LYS 33 -4.056 1.886 -9.974 248 2HD LYS 33 HD1 LYS 33 -5.407 0.870 -10.479 249 1HE LYS 33 HE2 LYS 33 -6.340 3.504 -10.794 250 2HE LYS 33 HE1 LYS 33 -4.679 3.519 -11.421 251 1HZ LYS 33 HZ1 LYS 33 -5.334 1.290 -12.474 252 2HZ LYS 33 HZ3 LYS 33 -6.936 1.788 -12.220 253 3HZ LYS 33 HZ2 LYS 33 -5.906 2.713 -13.205 254 H VAL 34 HN VAL 34 -3.754 0.467 -8.825 255 HA VAL 34 HA VAL 34 -2.781 1.150 -6.110 256 HB VAL 34 HB VAL 34 -2.454 -1.267 -6.329 257 1HG1 VAL 34 HG13 VAL 34 -2.352 -0.990 -8.941 258 2HG1 VAL 34 HG12 VAL 34 -0.620 -0.802 -8.665 259 3HG1 VAL 34 HG11 VAL 34 -1.436 -2.285 -8.171 260 1HG2 VAL 34 HG23 VAL 34 -0.607 0.437 -5.463 261 2HG2 VAL 34 HG22 VAL 34 -0.246 -1.283 -5.608 262 3HG2 VAL 34 HG21 VAL 34 0.281 -0.163 -6.864 263 H ASP 35 HN ASP 35 -0.640 2.179 -6.183 264 HA ASP 35 HA ASP 35 0.626 2.893 -8.702 265 1HB ASP 35 HB2 ASP 35 -1.412 4.645 -7.367 266 2HB ASP 35 HB1 ASP 35 -0.012 5.422 -8.107 267 H VAL 36 HN VAL 36 2.284 1.969 -7.205 268 HA VAL 36 HA VAL 36 3.075 3.797 -4.978 269 HB VAL 36 HB VAL 36 3.893 0.956 -5.648 270 1HG1 VAL 36 HG11 VAL 36 4.496 2.863 -3.441 271 2HG1 VAL 36 HG13 VAL 36 4.228 1.180 -2.997 272 3HG1 VAL 36 HG12 VAL 36 5.504 1.598 -4.139 273 1HG2 VAL 36 HG22 VAL 36 1.608 2.111 -4.070 274 2HG2 VAL 36 HG21 VAL 36 1.605 0.758 -5.200 275 3HG2 VAL 36 HG23 VAL 36 2.307 0.563 -3.595 276 H GLY 37 HN GLY 37 5.420 4.056 -4.650 277 1HA GLY 37 HA2 GLY 37 6.999 3.971 -7.172 278 2HA GLY 37 HA1 GLY 37 7.047 5.376 -6.100 279 H PHE 38 HN PHE 38 8.406 2.324 -6.733 280 HA PHE 38 HA PHE 38 9.147 1.349 -4.262 281 1HB PHE 38 HB2 PHE 38 11.216 0.562 -5.642 282 2HB PHE 38 HB1 PHE 38 9.610 0.064 -6.161 283 HD1 PHE 38 HD2 PHE 38 10.501 3.582 -6.642 284 HD2 PHE 38 HD1 PHE 38 10.561 -0.320 -8.440 285 HE1 PHE 38 HE2 PHE 38 10.893 4.610 -8.861 286 HE2 PHE 38 HE1 PHE 38 10.954 0.711 -10.659 287 HZ PHE 38 HZ PHE 38 11.121 3.176 -10.871 288 H GLU 39 HN GLU 39 12.037 2.344 -5.816 289 HA GLU 39 HA GLU 39 13.661 3.208 -3.940 290 1HB GLU 39 HB2 GLU 39 12.900 4.597 -6.500 291 2HB GLU 39 HB1 GLU 39 14.229 5.201 -5.511 292 1HG GLU 39 HG2 GLU 39 15.505 3.256 -5.803 293 2HG GLU 39 HG1 GLU 39 14.099 2.287 -6.249 294 H LYS 40 HN LYS 40 11.531 5.807 -5.221 295 HA LYS 40 HA LYS 40 11.928 7.758 -3.312 296 1HB LYS 40 HB2 LYS 40 10.379 7.692 -5.351 297 2HB LYS 40 HB1 LYS 40 9.181 6.944 -4.294 298 1HG LYS 40 HG2 LYS 40 8.982 9.461 -4.498 299 2HG LYS 40 HG1 LYS 40 9.144 8.867 -2.845 300 1HD LYS 40 HD2 LYS 40 11.320 9.647 -2.630 301 2HD LYS 40 HD1 LYS 40 11.626 9.578 -4.366 302 1HE LYS 40 HE2 LYS 40 11.402 11.930 -3.538 303 2HE LYS 40 HE1 LYS 40 10.138 11.520 -4.715 304 1HZ LYS 40 HZ1 LYS 40 9.781 11.097 -1.805 305 2HZ LYS 40 HZ3 LYS 40 9.358 12.560 -2.552 306 3HZ LYS 40 HZ2 LYS 40 8.590 11.118 -3.017 307 H ARG 41 HN ARG 41 9.425 5.239 -3.052 308 HA ARG 41 HA ARG 41 8.948 3.902 -1.093 309 1HB ARG 41 HB2 ARG 41 10.974 4.833 0.018 310 2HB ARG 41 HB1 ARG 41 10.037 6.262 0.453 311 1HG ARG 41 HG2 ARG 41 8.638 3.835 1.182 312 2HG ARG 41 HG1 ARG 41 10.228 3.901 1.934 313 1HD ARG 41 HD2 ARG 41 7.995 5.951 2.156 314 2HD ARG 41 HD1 ARG 41 8.759 5.031 3.463 315 HE ARG 41 HE ARG 41 10.874 6.360 2.240 316 1HH1 ARG 41 HH21 ARG 41 7.836 7.228 3.636 317 2HH1 ARG 41 HH22 ARG 41 8.382 8.779 4.175 318 1HH2 ARG 41 HH11 ARG 41 11.592 8.386 2.935 319 2HH2 ARG 41 HH12 ARG 41 10.501 9.437 3.775 320 H GLU 42 HN GLU 42 6.879 4.517 -2.152 321 HA GLU 42 HA GLU 42 5.076 5.729 -0.191 322 1HB GLU 42 HB2 GLU 42 6.432 7.511 -1.717 323 2HB GLU 42 HB1 GLU 42 5.046 7.213 -2.767 324 1HG GLU 42 HG2 GLU 42 4.152 7.484 -0.045 325 2HG GLU 42 HG1 GLU 42 5.140 8.877 -0.485 326 H ALA 43 HN ALA 43 3.367 4.256 -0.418 327 HA ALA 43 HA ALA 43 2.723 3.333 -3.196 328 1HB ALA 43 HB1 ALA 43 3.381 1.696 -1.425 329 2HB ALA 43 HB3 ALA 43 1.982 2.204 -0.482 330 3HB ALA 43 HB2 ALA 43 1.752 1.411 -2.038 331 H VAL 44 HN VAL 44 0.954 4.282 -4.104 332 HA VAL 44 HA VAL 44 -1.203 5.286 -2.291 333 HB VAL 44 HB VAL 44 -0.032 6.121 -4.919 334 1HG1 VAL 44 HG12 VAL 44 -2.872 6.731 -4.036 335 2HG1 VAL 44 HG11 VAL 44 -2.041 7.508 -5.383 336 3HG1 VAL 44 HG13 VAL 44 -2.412 5.785 -5.451 337 1HG2 VAL 44 HG21 VAL 44 0.461 7.158 -2.630 338 2HG2 VAL 44 HG23 VAL 44 -0.019 8.279 -3.904 339 3HG2 VAL 44 HG22 VAL 44 -1.186 7.788 -2.676 340 H VAL 45 HN VAL 45 -2.913 3.909 -2.216 341 HA VAL 45 HA VAL 45 -3.513 2.359 -4.722 342 HB VAL 45 HB VAL 45 -3.083 1.523 -1.868 343 1HG1 VAL 45 HG12 VAL 45 -5.313 0.634 -2.602 344 2HG1 VAL 45 HG11 VAL 45 -4.506 -0.155 -3.956 345 3HG1 VAL 45 HG13 VAL 45 -4.120 -0.629 -2.303 346 1HG2 VAL 45 HG23 VAL 45 -1.303 1.484 -3.708 347 2HG2 VAL 45 HG22 VAL 45 -1.560 -0.031 -2.843 348 3HG2 VAL 45 HG21 VAL 45 -2.245 0.192 -4.452 349 H THR 46 HN THR 46 -5.647 1.623 -4.937 350 HA THR 46 HA THR 46 -7.723 3.093 -3.347 351 HB THR 46 HB THR 46 -7.385 2.360 -6.253 352 HG1 THR 46 HG1 THR 46 -8.487 4.621 -6.107 353 1HG2 THR 46 HG21 THR 46 -9.953 2.683 -4.721 354 2HG2 THR 46 HG23 THR 46 -9.866 3.157 -6.418 355 3HG2 THR 46 HG22 THR 46 -9.541 1.488 -5.951 356 H PHE 47 HN PHE 47 -9.747 1.748 -3.096 357 HA PHE 47 HA PHE 47 -9.679 -1.064 -3.766 358 1HB PHE 47 HB2 PHE 47 -9.257 -1.862 -1.471 359 2HB PHE 47 HB1 PHE 47 -7.901 -0.884 -2.039 360 HD1 PHE 47 HD2 PHE 47 -10.870 -0.953 0.171 361 HD2 PHE 47 HD1 PHE 47 -7.474 1.340 -1.147 362 HE1 PHE 47 HE2 PHE 47 -11.206 0.631 2.043 363 HE2 PHE 47 HE1 PHE 47 -7.813 2.913 0.736 364 HZ PHE 47 HZ PHE 47 -9.679 2.556 2.328 365 H ASP 48 HN ASP 48 -11.280 -2.209 -2.106 366 HA ASP 48 HA ASP 48 -13.679 -0.450 -1.958 367 1HB ASP 48 HB2 ASP 48 -14.941 -2.506 -2.197 368 2HB ASP 48 HB1 ASP 48 -13.655 -2.544 -3.403 369 H ASP 49 HN ASP 49 -13.880 0.329 0.098 370 HA ASP 49 HA ASP 49 -12.556 -0.775 2.372 371 1HB ASP 49 HB2 ASP 49 -13.099 1.466 2.573 372 2HB ASP 49 HB1 ASP 49 -14.671 1.263 1.804 373 H THR 50 HN THR 50 -15.324 -1.905 0.757 374 HA THR 50 HA THR 50 -16.931 -2.871 2.915 375 HB THR 50 HB THR 50 -17.642 -2.766 0.569 376 HG1 THR 50 HG1 THR 50 -18.784 -4.295 1.557 377 1HG2 THR 50 HG22 THR 50 -15.114 -4.082 0.175 378 2HG2 THR 50 HG21 THR 50 -16.399 -5.055 -0.542 379 3HG2 THR 50 HG23 THR 50 -16.188 -3.374 -1.031 380 H LYS 51 HN LYS 51 -13.886 -3.966 1.589 381 HA LYS 51 HA LYS 51 -13.929 -6.274 3.490 382 1HB LYS 51 HB2 LYS 51 -13.665 -6.171 0.598 383 2HB LYS 51 HB1 LYS 51 -12.265 -6.948 1.339 384 1HG LYS 51 HG2 LYS 51 -13.608 -8.591 2.411 385 2HG LYS 51 HG1 LYS 51 -15.093 -7.688 2.101 386 1HD LYS 51 HD2 LYS 51 -15.307 -9.071 0.311 387 2HD LYS 51 HD1 LYS 51 -14.113 -8.009 -0.437 388 1HE LYS 51 HE2 LYS 51 -12.870 -9.910 -0.680 389 2HE LYS 51 HE1 LYS 51 -12.535 -9.735 1.054 390 1HZ LYS 51 HZ2 LYS 51 -14.954 -10.801 1.152 391 2HZ LYS 51 HZ1 LYS 51 -14.417 -11.503 -0.299 392 3HZ LYS 51 HZ3 LYS 51 -13.542 -11.746 1.134 393 H ALA 52 HN ALA 52 -11.993 -3.973 1.682 394 HA ALA 52 HA ALA 52 -9.689 -4.450 3.531 395 1HB ALA 52 HB1 ALA 52 -9.491 -4.691 0.999 396 2HB ALA 52 HB3 ALA 52 -9.757 -2.950 0.898 397 3HB ALA 52 HB2 ALA 52 -8.339 -3.579 1.738 398 H SER 53 HN SER 53 -8.368 -2.084 3.341 399 HA SER 53 HA SER 53 -9.964 0.289 3.569 400 1HB SER 53 HB2 SER 53 -10.921 -0.875 5.472 401 2HB SER 53 HB1 SER 53 -9.318 -1.270 6.087 402 HG SER 53 HG SER 53 -10.048 1.408 5.620 403 H VAL 54 HN VAL 54 -8.632 2.118 4.200 404 HA VAL 54 HA VAL 54 -5.994 2.220 3.403 405 HB VAL 54 HB VAL 54 -7.340 4.163 4.021 406 1HG1 VAL 54 HG12 VAL 54 -8.444 2.977 5.971 407 2HG1 VAL 54 HG11 VAL 54 -6.980 3.298 6.901 408 3HG1 VAL 54 HG13 VAL 54 -7.954 4.639 6.300 409 1HG2 VAL 54 HG21 VAL 54 -4.849 3.805 5.710 410 2HG2 VAL 54 HG23 VAL 54 -4.947 4.512 4.097 411 3HG2 VAL 54 HG22 VAL 54 -5.661 5.353 5.473 412 H GLN 55 HN GLN 55 -7.193 1.310 6.629 413 HA GLN 55 HA GLN 55 -4.657 1.002 7.912 414 1HB GLN 55 HB2 GLN 55 -6.816 1.101 9.071 415 2HB GLN 55 HB1 GLN 55 -7.332 -0.389 8.281 416 1HG GLN 55 HG2 GLN 55 -5.357 -1.541 9.361 417 2HG GLN 55 HG1 GLN 55 -5.090 -0.066 10.291 418 1HE2 GLN 55 HE22 GLN 55 -7.266 -1.478 12.708 419 2HE2 GLN 55 HE21 GLN 55 -5.679 -0.990 12.355 420 H LYS 56 HN LYS 56 -6.711 -1.326 6.133 421 HA LYS 56 HA LYS 56 -4.963 -3.580 6.468 422 1HB LYS 56 HB2 LYS 56 -7.077 -2.857 4.419 423 2HB LYS 56 HB1 LYS 56 -6.375 -4.466 4.583 424 1HG LYS 56 HG2 LYS 56 -7.108 -4.465 6.991 425 2HG LYS 56 HG1 LYS 56 -7.955 -2.949 6.679 426 1HD LYS 56 HD2 LYS 56 -9.579 -3.956 5.397 427 2HD LYS 56 HD1 LYS 56 -8.490 -5.218 4.818 428 1HE LYS 56 HE2 LYS 56 -10.165 -6.177 6.367 429 2HE LYS 56 HE1 LYS 56 -8.548 -6.262 7.096 430 1HZ LYS 56 HZ2 LYS 56 -10.032 -3.786 7.487 431 2HZ LYS 56 HZ1 LYS 56 -10.607 -5.142 8.334 432 3HZ LYS 56 HZ3 LYS 56 -9.010 -4.618 8.559 433 H LEU 57 HN LEU 57 -4.876 -0.834 4.240 434 HA LEU 57 HA LEU 57 -3.222 -2.126 2.228 435 1HB LEU 57 HB2 LEU 57 -3.448 0.809 2.981 436 2HB LEU 57 HB1 LEU 57 -2.939 0.160 1.424 437 HG LEU 57 HG LEU 57 -5.678 -0.318 2.633 438 1HD1 LEU 57 HD11 LEU 57 -4.759 2.098 1.752 439 2HD1 LEU 57 HD13 LEU 57 -5.398 1.412 0.258 440 3HD1 LEU 57 HD12 LEU 57 -6.445 1.588 1.666 441 1HD2 LEU 57 HD23 LEU 57 -4.421 -1.753 0.688 442 2HD2 LEU 57 HD22 LEU 57 -6.168 -1.516 0.741 443 3HD2 LEU 57 HD21 LEU 57 -5.170 -0.488 -0.287 444 H THR 58 HN THR 58 -2.523 0.140 4.899 445 HA THR 58 HA THR 58 0.339 0.004 4.701 446 HB THR 58 HB THR 58 -1.143 0.450 7.276 447 HG1 THR 58 HG1 THR 58 -1.154 2.214 5.055 448 1HG2 THR 58 HG22 THR 58 1.412 0.777 6.732 449 2HG2 THR 58 HG21 THR 58 0.858 2.287 6.006 450 3HG2 THR 58 HG23 THR 58 0.561 1.968 7.715 451 H LYS 59 HN LYS 59 -2.093 -2.106 5.946 452 HA LYS 59 HA LYS 59 -0.305 -3.601 7.731 453 1HB LYS 59 HB2 LYS 59 -3.144 -3.486 6.948 454 2HB LYS 59 HB1 LYS 59 -2.563 -5.125 7.243 455 1HG LYS 59 HG2 LYS 59 -1.800 -4.528 9.457 456 2HG LYS 59 HG1 LYS 59 -2.140 -2.822 9.166 457 1HD LYS 59 HD2 LYS 59 -4.305 -3.080 9.736 458 2HD LYS 59 HD1 LYS 59 -4.485 -4.457 8.647 459 1HE LYS 59 HE2 LYS 59 -3.576 -5.973 10.329 460 2HE LYS 59 HE1 LYS 59 -3.243 -4.610 11.417 461 1HZ LYS 59 HZ3 LYS 59 -5.933 -4.724 10.339 462 2HZ LYS 59 HZ2 LYS 59 -5.544 -5.971 11.425 463 3HZ LYS 59 HZ1 LYS 59 -5.410 -4.348 11.908 464 H ALA 60 HN ALA 60 -1.360 -3.651 4.392 465 HA ALA 60 HA ALA 60 -0.604 -6.389 3.818 466 1HB ALA 60 HB3 ALA 60 -1.411 -3.910 2.390 467 2HB ALA 60 HB2 ALA 60 -0.456 -5.051 1.442 468 3HB ALA 60 HB1 ALA 60 -1.980 -5.564 2.165 469 H THR 61 HN THR 61 1.035 -3.228 3.465 470 HA THR 61 HA THR 61 3.513 -4.459 2.480 471 HB THR 61 HB THR 61 2.742 -2.135 1.993 472 HG1 THR 61 HG1 THR 61 5.059 -1.762 3.468 473 1HG2 THR 61 HG23 THR 61 1.766 -1.699 4.235 474 2HG2 THR 61 HG22 THR 61 3.395 -1.651 4.909 475 3HG2 THR 61 HG21 THR 61 2.887 -0.431 3.741 476 H ALA 62 HN ALA 62 2.192 -3.258 5.533 477 HA ALA 62 HA ALA 62 4.527 -3.623 7.141 478 1HB ALA 62 HB3 ALA 62 1.543 -3.586 7.587 479 2HB ALA 62 HB2 ALA 62 2.635 -3.915 8.931 480 3HB ALA 62 HB1 ALA 62 2.736 -2.380 8.067 481 H ASP 63 HN ASP 63 2.187 -5.790 5.732 482 HA ASP 63 HA ASP 63 3.001 -8.077 7.418 483 1HB ASP 63 HB2 ASP 63 0.967 -7.440 5.319 484 2HB ASP 63 HB1 ASP 63 1.428 -9.132 5.514 485 H ALA 64 HN ALA 64 3.808 -6.586 4.367 486 HA ALA 64 HA ALA 64 5.032 -8.947 3.169 487 1HB ALA 64 HB3 ALA 64 4.170 -6.562 2.248 488 2HB ALA 64 HB2 ALA 64 5.873 -6.165 2.482 489 3HB ALA 64 HB1 ALA 64 5.415 -7.489 1.411 490 H GLY 65 HN GLY 65 5.852 -6.664 5.595 491 1HA GLY 65 HA2 GLY 65 7.785 -7.277 7.048 492 2HA GLY 65 HA1 GLY 65 8.668 -7.648 5.569 493 H TYR 66 HN TYR 66 6.543 -4.895 5.751 494 HA TYR 66 HA TYR 66 8.915 -3.083 5.985 495 1HB TYR 66 HB2 TYR 66 6.678 -2.927 3.937 496 2HB TYR 66 HB1 TYR 66 8.116 -1.906 4.006 497 HD1 TYR 66 HD1 TYR 66 10.298 -3.648 4.535 498 HD2 TYR 66 HD2 TYR 66 6.845 -4.394 2.083 499 HE1 TYR 66 HE1 TYR 66 11.585 -5.317 3.228 500 HE2 TYR 66 HE2 TYR 66 8.133 -6.061 0.791 501 HH TYR 66 HH TYR 66 11.284 -7.146 1.793 502 HA PRO 67 HA PRO 67 5.632 -1.765 8.949 503 1HB PRO 67 HB2 PRO 67 7.767 -0.180 10.101 504 2HB PRO 67 HB1 PRO 67 6.922 -1.562 10.806 505 1HG PRO 67 HG2 PRO 67 9.598 -1.486 9.796 506 2HG PRO 67 HG1 PRO 67 8.728 -2.879 10.447 507 1HD PRO 67 HD2 PRO 67 9.470 -2.395 7.708 508 2HD PRO 67 HD1 PRO 67 8.550 -3.775 8.358 509 H SER 68 HN SER 68 4.602 -0.478 7.307 510 HA SER 68 HA SER 68 5.834 2.198 6.759 511 1HB SER 68 HB2 SER 68 4.703 2.093 4.707 512 2HB SER 68 HB1 SER 68 5.122 0.406 4.992 513 HG SER 68 HG SER 68 2.670 1.662 4.983 514 H SER 69 HN SER 69 3.566 3.539 5.966 515 HA SER 69 HA SER 69 1.591 3.440 8.172 516 1HB SER 69 HB2 SER 69 3.745 4.880 8.642 517 2HB SER 69 HB1 SER 69 2.995 6.024 7.532 518 HG SER 69 HG SER 69 1.690 6.553 9.079 519 H VAL 70 HN VAL 70 0.186 5.702 7.635 520 HA VAL 70 HA VAL 70 -0.218 5.745 4.686 521 HB VAL 70 HB VAL 70 -1.572 4.074 6.014 522 1HG1 VAL 70 HG13 VAL 70 -1.916 5.548 7.984 523 2HG1 VAL 70 HG12 VAL 70 -2.924 6.606 6.996 524 3HG1 VAL 70 HG11 VAL 70 -3.445 4.956 7.334 525 1HG2 VAL 70 HG23 VAL 70 -2.279 5.728 3.872 526 2HG2 VAL 70 HG22 VAL 70 -3.120 4.257 4.357 527 3HG2 VAL 70 HG21 VAL 70 -3.661 5.826 4.956 528 H LYS 71 HN LYS 71 -1.497 7.601 3.951 529 HA LYS 71 HA LYS 71 -2.277 9.690 5.824 530 1HB LYS 71 HB2 LYS 71 -0.438 11.266 5.221 531 2HB LYS 71 HB1 LYS 71 0.151 9.831 6.059 532 1HG LYS 71 HG2 LYS 71 0.195 9.033 3.418 533 2HG LYS 71 HG1 LYS 71 0.666 10.730 3.312 534 1HD LYS 71 HD2 LYS 71 1.952 8.617 5.064 535 2HD LYS 71 HD1 LYS 71 2.661 9.360 3.630 536 1HE LYS 71 HE2 LYS 71 1.734 11.134 5.875 537 2HE LYS 71 HE1 LYS 71 3.297 10.304 6.008 538 1HZ LYS 71 HZ1 LYS 71 2.502 11.744 3.549 539 2HZ LYS 71 HZ3 LYS 71 3.285 12.542 4.824 540 3HZ LYS 71 HZ2 LYS 71 4.056 11.254 4.029 541 H GLN 72 HN GLN 72 -3.650 8.577 3.716 542 HA GLN 72 HA GLN 72 -4.411 8.989 1.433 543 1HB GLN 72 HB2 GLN 72 -5.800 9.881 3.407 544 2HB GLN 72 HB1 GLN 72 -5.194 11.475 2.956 545 1HG GLN 72 HG2 GLN 72 -6.020 11.004 0.603 546 2HG GLN 72 HG1 GLN 72 -6.831 9.580 1.255 547 1HE2 GLN 72 HE22 GLN 72 -9.509 11.974 1.570 548 2HE2 GLN 72 HE21 GLN 72 -8.843 10.840 0.496 No H/Q in entry = 548 Start of MODEL 10 1 1H ALA 1 HT2 ALA 1 18.171 1.299 1.881 2 2H ALA 1 HT1 ALA 1 19.033 0.961 0.456 3 3H ALA 1 HT3 ALA 1 18.200 2.429 0.612 4 HA ALA 1 HA ALA 1 16.707 1.269 -0.668 5 1HB ALA 1 HB3 ALA 1 17.794 -1.084 0.898 6 2HB ALA 1 HB2 ALA 1 16.479 -1.232 -0.267 7 3HB ALA 1 HB1 ALA 1 18.076 -0.711 -0.802 8 H THR 2 HN THR 2 15.470 2.755 0.826 9 HA THR 2 HA THR 2 13.467 1.282 2.308 10 HB THR 2 HB THR 2 14.851 1.552 4.122 11 HG1 THR 2 HG1 THR 2 12.902 2.670 4.502 12 1HG2 THR 2 HG21 THR 2 15.806 4.032 2.725 13 2HG2 THR 2 HG23 THR 2 16.135 3.798 4.441 14 3HG2 THR 2 HG22 THR 2 16.745 2.639 3.261 15 H GLN 3 HN GLN 3 12.042 2.122 0.783 16 HA GLN 3 HA GLN 3 11.838 5.105 0.609 17 1HB GLN 3 HB2 GLN 3 10.591 3.059 -1.229 18 2HB GLN 3 HB1 GLN 3 10.946 4.748 -1.571 19 1HG GLN 3 HG2 GLN 3 13.135 2.763 -0.924 20 2HG GLN 3 HG1 GLN 3 12.549 3.005 -2.568 21 1HE2 GLN 3 HE22 GLN 3 15.002 5.558 -2.785 22 2HE2 GLN 3 HE21 GLN 3 14.531 4.015 -3.313 23 H THR 4 HN THR 4 9.797 6.093 0.832 24 HA THR 4 HA THR 4 7.588 4.358 1.887 25 HB THR 4 HB THR 4 8.444 7.115 2.855 26 HG1 THR 4 HG1 THR 4 9.037 4.502 3.701 27 1HG2 THR 4 HG23 THR 4 6.410 5.101 3.839 28 2HG2 THR 4 HG22 THR 4 6.946 6.488 4.788 29 3HG2 THR 4 HG21 THR 4 6.100 6.737 3.260 30 H VAL 5 HN VAL 5 5.850 4.602 0.544 31 HA VAL 5 HA VAL 5 5.424 7.256 -0.809 32 HB VAL 5 HB VAL 5 4.655 5.914 -2.740 33 1HG1 VAL 5 HG11 VAL 5 7.293 6.215 -1.807 34 2HG1 VAL 5 HG13 VAL 5 7.189 4.552 -2.384 35 3HG1 VAL 5 HG12 VAL 5 6.789 5.886 -3.465 36 1HG2 VAL 5 HG23 VAL 5 4.659 3.838 -0.738 37 2HG2 VAL 5 HG22 VAL 5 4.020 3.780 -2.381 38 3HG2 VAL 5 HG21 VAL 5 5.706 3.362 -2.075 39 H THR 6 HN THR 6 3.124 7.438 -1.565 40 HA THR 6 HA THR 6 1.263 6.334 0.494 41 HB THR 6 HB THR 6 1.631 8.841 0.276 42 HG1 THR 6 HG1 THR 6 -0.976 8.148 -0.536 43 1HG2 THR 6 HG22 THR 6 1.427 8.229 -2.454 44 2HG2 THR 6 HG21 THR 6 -0.043 9.120 -2.069 45 3HG2 THR 6 HG23 THR 6 1.533 9.837 -1.738 46 H LEU 7 HN LEU 7 -0.853 5.613 -0.405 47 HA LEU 7 HA LEU 7 -0.660 4.971 -3.325 48 1HB LEU 7 HB2 LEU 7 -0.542 3.249 -1.027 49 2HB LEU 7 HB1 LEU 7 -1.996 2.873 -1.941 50 HG LEU 7 HG LEU 7 -0.704 2.562 -3.954 51 1HD1 LEU 7 HD12 LEU 7 1.336 3.966 -2.382 52 2HD1 LEU 7 HD11 LEU 7 1.949 2.596 -3.307 53 3HD1 LEU 7 HD13 LEU 7 1.100 3.901 -4.126 54 1HD2 LEU 7 HD23 LEU 7 0.384 1.184 -1.495 55 2HD2 LEU 7 HD22 LEU 7 -0.753 0.548 -2.685 56 3HD2 LEU 7 HD21 LEU 7 0.945 0.758 -3.111 57 H ALA 8 HN ALA 8 -2.645 4.740 -4.392 58 HA ALA 8 HA ALA 8 -5.037 5.781 -2.898 59 1HB ALA 8 HB2 ALA 8 -3.616 6.690 -5.242 60 2HB ALA 8 HB1 ALA 8 -5.263 6.250 -5.691 61 3HB ALA 8 HB3 ALA 8 -4.984 7.448 -4.428 62 H VAL 9 HN VAL 9 -6.309 3.960 -2.596 63 HA VAL 9 HA VAL 9 -6.513 2.010 -4.870 64 HB VAL 9 HB VAL 9 -7.238 1.674 -1.949 65 1HG1 VAL 9 HG11 VAL 9 -8.006 0.088 -3.908 66 2HG1 VAL 9 HG13 VAL 9 -6.343 -0.492 -3.821 67 3HG1 VAL 9 HG12 VAL 9 -7.389 -0.603 -2.407 68 1HG2 VAL 9 HG22 VAL 9 -4.669 2.106 -3.039 69 2HG2 VAL 9 HG21 VAL 9 -5.050 1.490 -1.431 70 3HG2 VAL 9 HG23 VAL 9 -4.786 0.368 -2.766 71 HA PRO 10 HA PRO 10 -10.662 4.188 -4.562 72 1HB PRO 10 HB2 PRO 10 -10.829 4.256 -7.382 73 2HB PRO 10 HB1 PRO 10 -10.429 5.608 -6.316 74 1HG PRO 10 HG2 PRO 10 -8.676 4.097 -8.096 75 2HG PRO 10 HG1 PRO 10 -8.369 5.624 -7.263 76 1HD PRO 10 HD2 PRO 10 -7.275 3.076 -6.609 77 2HD PRO 10 HD1 PRO 10 -7.146 4.574 -5.660 78 H GLY 11 HN GLY 11 -9.394 1.266 -5.833 79 1HA GLY 11 HA2 GLY 11 -11.511 0.122 -7.262 80 2HA GLY 11 HA1 GLY 11 -10.455 -0.806 -6.193 81 H MET 12 HN MET 12 -11.110 0.398 -3.749 82 HA MET 12 HA MET 12 -14.046 0.189 -3.413 83 1HB MET 12 HB2 MET 12 -11.983 -1.726 -2.289 84 2HB MET 12 HB1 MET 12 -13.631 -1.622 -1.670 85 1HG MET 12 HG2 MET 12 -12.825 -2.296 -4.514 86 2HG MET 12 HG1 MET 12 -13.481 -3.420 -3.325 87 1HE MET 12 HE3 MET 12 -15.313 -2.488 -1.826 88 2HE MET 12 HE2 MET 12 -15.796 -0.820 -2.122 89 3HE MET 12 HE1 MET 12 -16.904 -2.134 -2.514 90 H THR 13 HN THR 13 -14.631 0.805 -1.108 91 HA THR 13 HA THR 13 -12.593 1.831 0.684 92 HB THR 13 HB THR 13 -12.302 3.461 -1.064 93 HG1 THR 13 HG1 THR 13 -12.923 4.094 1.294 94 1HG2 THR 13 HG23 THR 13 -14.600 2.898 -2.076 95 2HG2 THR 13 HG22 THR 13 -15.251 4.092 -0.955 96 3HG2 THR 13 HG21 THR 13 -14.074 4.578 -2.174 97 H CYS 14 HN CYS 14 -13.735 1.196 2.516 98 HA CYS 14 HA CYS 14 -16.079 2.735 3.267 99 1HB CYS 14 HB2 CYS 14 -17.763 1.150 2.967 100 2HB CYS 14 HB1 CYS 14 -16.748 0.831 1.567 101 H ALA 15 HN ALA 15 -14.255 -0.275 3.907 102 HA ALA 15 HA ALA 15 -13.421 0.521 6.513 103 1HB ALA 15 HB1 ALA 15 -16.055 -0.919 6.258 104 2HB ALA 15 HB3 ALA 15 -15.080 -1.099 7.717 105 3HB ALA 15 HB2 ALA 15 -15.661 0.495 7.236 106 H ALA 16 HN ALA 16 -14.159 -2.050 4.247 107 HA ALA 16 HA ALA 16 -12.054 -3.741 5.547 108 1HB ALA 16 HB2 ALA 16 -14.615 -4.458 4.089 109 2HB ALA 16 HB1 ALA 16 -13.418 -5.642 4.614 110 3HB ALA 16 HB3 ALA 16 -14.283 -4.673 5.807 111 H CYS 17 HN CYS 17 -11.996 -1.688 3.205 112 HA CYS 17 HA CYS 17 -10.820 -3.591 1.217 113 1HB CYS 17 HB2 CYS 17 -12.310 -0.995 0.724 114 2HB CYS 17 HB1 CYS 17 -11.564 -1.976 -0.526 115 HA PRO 18 HA PRO 18 -7.901 0.293 1.002 116 1HB PRO 18 HB2 PRO 18 -8.597 1.823 3.378 117 2HB PRO 18 HB1 PRO 18 -8.462 2.387 1.713 118 1HG PRO 18 HG2 PRO 18 -10.861 1.986 3.208 119 2HG PRO 18 HG1 PRO 18 -10.718 2.453 1.514 120 1HD PRO 18 HD2 PRO 18 -11.664 -0.045 2.548 121 2HD PRO 18 HD1 PRO 18 -11.412 0.409 0.846 122 H ILE 19 HN ILE 19 -9.327 -0.712 4.079 123 HA ILE 19 HA ILE 19 -6.940 -0.953 5.642 124 HB ILE 19 HB ILE 19 -9.737 -1.396 5.807 125 1HG1 ILE 19 HG12 ILE 19 -7.746 -1.891 8.022 126 2HG1 ILE 19 HG11 ILE 19 -8.099 -0.273 7.412 127 1HG2 ILE 19 HG23 ILE 19 -9.293 -3.804 5.367 128 2HG2 ILE 19 HG22 ILE 19 -8.206 -3.837 6.756 129 3HG2 ILE 19 HG21 ILE 19 -9.926 -3.527 6.990 130 1HD1 ILE 19 HD11 ILE 19 -10.604 -0.997 7.774 131 2HD1 ILE 19 HD13 ILE 19 -9.900 -2.177 8.879 132 3HD1 ILE 19 HD12 ILE 19 -9.646 -0.454 9.151 133 H THR 20 HN THR 20 -8.569 -3.192 3.418 134 HA THR 20 HA THR 20 -7.015 -5.533 3.907 135 HB THR 20 HB THR 20 -8.225 -4.556 1.291 136 HG1 THR 20 HG1 THR 20 -9.999 -5.968 2.342 137 1HG2 THR 20 HG23 THR 20 -7.736 -7.307 2.473 138 2HG2 THR 20 HG22 THR 20 -8.653 -7.009 0.996 139 3HG2 THR 20 HG21 THR 20 -6.938 -6.605 1.066 140 H VAL 21 HN VAL 21 -6.396 -2.551 2.289 141 HA VAL 21 HA VAL 21 -4.192 -3.478 0.659 142 HB VAL 21 HB VAL 21 -4.848 -0.681 1.615 143 1HG1 VAL 21 HG13 VAL 21 -2.891 -1.772 -0.142 144 2HG1 VAL 21 HG12 VAL 21 -4.061 -0.899 -1.133 145 3HG1 VAL 21 HG11 VAL 21 -3.227 -0.072 0.183 146 1HG2 VAL 21 HG22 VAL 21 -6.233 -2.485 -0.326 147 2HG2 VAL 21 HG21 VAL 21 -6.910 -1.256 0.741 148 3HG2 VAL 21 HG23 VAL 21 -6.091 -0.778 -0.746 149 H LYS 22 HN LYS 22 -4.645 -2.138 3.874 150 HA LYS 22 HA LYS 22 -1.919 -1.483 4.447 151 1HB LYS 22 HB2 LYS 22 -4.274 -1.046 5.637 152 2HB LYS 22 HB1 LYS 22 -3.815 -2.494 6.535 153 1HG LYS 22 HG2 LYS 22 -1.757 -0.352 6.202 154 2HG LYS 22 HG1 LYS 22 -3.064 -0.067 7.352 155 1HD LYS 22 HD2 LYS 22 -2.211 -2.728 7.778 156 2HD LYS 22 HD1 LYS 22 -0.744 -1.759 7.636 157 1HE LYS 22 HE2 LYS 22 -1.958 -0.098 9.249 158 2HE LYS 22 HE1 LYS 22 -2.985 -1.495 9.635 159 1HZ LYS 22 HZ2 LYS 22 -0.017 -1.598 9.604 160 2HZ LYS 22 HZ1 LYS 22 -0.924 -1.320 11.015 161 3HZ LYS 22 HZ3 LYS 22 -1.086 -2.788 10.179 162 H LYS 23 HN LYS 23 -3.881 -4.407 4.729 163 HA LYS 23 HA LYS 23 -1.829 -5.939 6.066 164 1HB LYS 23 HB2 LYS 23 -4.094 -6.615 6.346 165 2HB LYS 23 HB1 LYS 23 -4.398 -6.542 4.610 166 1HG LYS 23 HG2 LYS 23 -2.214 -8.363 5.218 167 2HG LYS 23 HG1 LYS 23 -3.689 -8.821 6.072 168 1HD LYS 23 HD2 LYS 23 -4.919 -8.572 3.872 169 2HD LYS 23 HD1 LYS 23 -3.344 -8.407 3.093 170 1HE LYS 23 HE2 LYS 23 -3.286 -10.674 2.987 171 2HE LYS 23 HE1 LYS 23 -3.096 -10.668 4.752 172 1HZ LYS 23 HZ1 LYS 23 -5.709 -10.480 3.350 173 2HZ LYS 23 HZ3 LYS 23 -5.080 -11.918 3.994 174 3HZ LYS 23 HZ2 LYS 23 -5.461 -10.621 5.024 175 H ALA 24 HN ALA 24 -2.792 -5.388 2.769 176 HA ALA 24 HA ALA 24 -1.321 -7.424 1.461 177 1HB ALA 24 HB2 ALA 24 -3.053 -5.380 0.815 178 2HB ALA 24 HB1 ALA 24 -1.545 -4.842 0.074 179 3HB ALA 24 HB3 ALA 24 -2.230 -6.409 -0.358 180 H LEU 25 HN LEU 25 -0.427 -4.004 2.082 181 HA LEU 25 HA LEU 25 2.211 -4.189 0.958 182 1HB LEU 25 HB2 LEU 25 1.286 -2.381 3.207 183 2HB LEU 25 HB1 LEU 25 2.513 -2.037 1.991 184 HG LEU 25 HG LEU 25 -0.055 -2.722 0.782 185 1HD1 LEU 25 HD12 LEU 25 -0.543 -1.522 3.091 186 2HD1 LEU 25 HD11 LEU 25 -0.050 -0.083 2.201 187 3HD1 LEU 25 HD13 LEU 25 -1.415 -1.042 1.635 188 1HD2 LEU 25 HD23 LEU 25 2.238 -1.079 0.332 189 2HD2 LEU 25 HD22 LEU 25 0.912 -1.416 -0.780 190 3HD2 LEU 25 HD21 LEU 25 0.818 -0.033 0.310 191 H SER 26 HN SER 26 1.047 -4.415 4.326 192 HA SER 26 HA SER 26 3.585 -4.853 5.549 193 1HB SER 26 HB2 SER 26 1.715 -4.299 6.916 194 2HB SER 26 HB1 SER 26 0.714 -5.556 6.195 195 HG SER 26 HG SER 26 2.154 -7.084 7.162 196 H LYS 27 HN LYS 27 1.605 -6.820 3.530 197 HA LYS 27 HA LYS 27 3.023 -9.273 4.392 198 1HB LYS 27 HB2 LYS 27 0.455 -8.605 3.033 199 2HB LYS 27 HB1 LYS 27 1.190 -10.167 2.665 200 1HG LYS 27 HG2 LYS 27 -0.446 -10.102 4.647 201 2HG LYS 27 HG1 LYS 27 1.123 -10.855 4.937 202 1HD LYS 27 HD2 LYS 27 1.920 -9.037 6.175 203 2HD LYS 27 HD1 LYS 27 0.760 -7.917 5.458 204 1HE LYS 27 HE2 LYS 27 -0.212 -8.255 7.561 205 2HE LYS 27 HE1 LYS 27 -1.008 -9.539 6.630 206 1HZ LYS 27 HZ2 LYS 27 1.525 -9.845 8.154 207 2HZ LYS 27 HZ1 LYS 27 0.006 -10.410 8.664 208 3HZ LYS 27 HZ3 LYS 27 0.734 -11.067 7.280 209 H VAL 28 HN VAL 28 3.044 -6.902 1.977 210 HA VAL 28 HA VAL 28 3.712 -8.174 -0.408 211 HB VAL 28 HB VAL 28 4.575 -5.665 1.001 212 1HG1 VAL 28 HG13 VAL 28 5.787 -6.810 -1.516 213 2HG1 VAL 28 HG12 VAL 28 5.705 -5.068 -1.260 214 3HG1 VAL 28 HG11 VAL 28 6.607 -6.082 -0.134 215 1HG2 VAL 28 HG22 VAL 28 2.358 -5.964 -0.184 216 2HG2 VAL 28 HG21 VAL 28 3.325 -4.610 -0.766 217 3HG2 VAL 28 HG23 VAL 28 3.262 -6.109 -1.691 218 H GLU 29 HN GLU 29 6.052 -7.157 2.092 219 HA GLU 29 HA GLU 29 7.583 -9.385 2.540 220 1HB GLU 29 HB2 GLU 29 7.800 -8.471 -0.257 221 2HB GLU 29 HB1 GLU 29 9.358 -8.715 0.534 222 1HG GLU 29 HG2 GLU 29 7.553 -10.857 1.220 223 2HG GLU 29 HG1 GLU 29 7.668 -10.697 -0.533 224 H GLY 30 HN GLY 30 9.035 -6.698 0.760 225 1HA GLY 30 HA2 GLY 30 10.869 -6.083 2.874 226 2HA GLY 30 HA1 GLY 30 10.612 -5.097 1.442 227 H VAL 31 HN VAL 31 7.658 -5.006 2.207 228 HA VAL 31 HA VAL 31 7.449 -2.478 3.327 229 HB VAL 31 HB VAL 31 5.756 -4.960 3.572 230 1HG1 VAL 31 HG12 VAL 31 5.288 -2.206 4.717 231 2HG1 VAL 31 HG11 VAL 31 3.945 -3.268 4.293 232 3HG1 VAL 31 HG13 VAL 31 5.111 -3.767 5.519 233 1HG2 VAL 31 HG23 VAL 31 5.861 -2.485 1.878 234 2HG2 VAL 31 HG22 VAL 31 5.629 -4.161 1.384 235 3HG2 VAL 31 HG21 VAL 31 4.305 -3.272 2.136 236 H SER 32 HN SER 32 8.217 -1.644 5.143 237 HA SER 32 HA SER 32 8.703 -3.456 7.474 238 1HB SER 32 HB2 SER 32 9.872 -0.734 7.365 239 2HB SER 32 HB1 SER 32 10.635 -2.261 7.799 240 HG SER 32 HG SER 32 11.487 -1.728 5.856 241 H LYS 33 HN LYS 33 6.808 -0.869 6.322 242 HA LYS 33 HA LYS 33 5.495 -0.639 8.968 243 1HB LYS 33 HB2 LYS 33 6.996 1.055 9.411 244 2HB LYS 33 HB1 LYS 33 7.282 1.388 7.708 245 1HG LYS 33 HG2 LYS 33 5.382 2.748 7.523 246 2HG LYS 33 HG1 LYS 33 4.610 2.024 8.935 247 1HD LYS 33 HD2 LYS 33 6.364 3.047 10.380 248 2HD LYS 33 HD1 LYS 33 7.039 3.839 8.955 249 1HE LYS 33 HE2 LYS 33 4.975 5.091 8.606 250 2HE LYS 33 HE1 LYS 33 4.186 4.217 9.934 251 1HZ LYS 33 HZ3 LYS 33 6.446 5.021 11.108 252 2HZ LYS 33 HZ2 LYS 33 6.190 6.316 10.039 253 3HZ LYS 33 HZ1 LYS 33 4.996 5.899 11.174 254 H VAL 34 HN VAL 34 3.378 0.400 8.765 255 HA VAL 34 HA VAL 34 2.482 1.058 6.013 256 HB VAL 34 HB VAL 34 1.059 -1.009 7.701 257 1HG1 VAL 34 HG13 VAL 34 0.092 0.331 5.631 258 2HG1 VAL 34 HG12 VAL 34 1.043 -0.833 4.708 259 3HG1 VAL 34 HG11 VAL 34 -0.222 -1.396 5.801 260 1HG2 VAL 34 HG22 VAL 34 3.257 -1.382 5.648 261 2HG2 VAL 34 HG21 VAL 34 3.236 -1.959 7.315 262 3HG2 VAL 34 HG23 VAL 34 2.154 -2.674 6.119 263 H ASP 35 HN ASP 35 0.498 2.216 5.986 264 HA ASP 35 HA ASP 35 -1.070 2.766 8.358 265 1HB ASP 35 HB2 ASP 35 1.355 4.270 7.835 266 2HB ASP 35 HB1 ASP 35 -0.046 5.337 7.737 267 H VAL 36 HN VAL 36 -2.802 2.354 6.873 268 HA VAL 36 HA VAL 36 -2.949 4.130 4.477 269 HB VAL 36 HB VAL 36 -4.367 2.413 3.583 270 1HG1 VAL 36 HG12 VAL 36 -1.781 1.849 4.654 271 2HG1 VAL 36 HG11 VAL 36 -2.773 0.404 4.848 272 3HG1 VAL 36 HG13 VAL 36 -2.560 1.117 3.251 273 1HG2 VAL 36 HG21 VAL 36 -4.416 1.286 6.403 274 2HG2 VAL 36 HG23 VAL 36 -5.769 2.052 5.571 275 3HG2 VAL 36 HG22 VAL 36 -5.136 0.512 4.991 276 H GLY 37 HN GLY 37 -5.756 3.639 4.151 277 1HA GLY 37 HA2 GLY 37 -7.049 4.946 6.464 278 2HA GLY 37 HA1 GLY 37 -7.089 5.807 4.922 279 H PHE 38 HN PHE 38 -8.591 3.473 6.814 280 HA PHE 38 HA PHE 38 -9.854 1.890 4.711 281 1HB PHE 38 HB2 PHE 38 -10.814 0.740 6.574 282 2HB PHE 38 HB1 PHE 38 -9.189 1.198 7.074 283 HD1 PHE 38 HD1 PHE 38 -10.204 4.287 7.278 284 HD2 PHE 38 HD2 PHE 38 -11.416 0.533 8.987 285 HE1 PHE 38 HE1 PHE 38 -11.145 5.479 9.229 286 HE2 PHE 38 HE2 PHE 38 -12.363 1.735 10.938 287 HZ PHE 38 HZ PHE 38 -12.227 4.207 11.059 288 H GLU 39 HN GLU 39 -10.546 4.247 3.835 289 HA GLU 39 HA GLU 39 -13.400 4.406 3.996 290 1HB GLU 39 HB2 GLU 39 -13.031 5.196 6.251 291 2HB GLU 39 HB1 GLU 39 -11.781 6.318 5.709 292 1HG GLU 39 HG2 GLU 39 -14.054 7.370 6.146 293 2HG GLU 39 HG1 GLU 39 -13.384 7.672 4.543 294 H LYS 40 HN LYS 40 -10.432 6.316 3.614 295 HA LYS 40 HA LYS 40 -11.616 7.593 1.175 296 1HB LYS 40 HB2 LYS 40 -9.878 8.447 3.410 297 2HB LYS 40 HB1 LYS 40 -9.335 8.989 1.820 298 1HG LYS 40 HG2 LYS 40 -12.143 9.356 1.879 299 2HG LYS 40 HG1 LYS 40 -11.521 9.986 3.405 300 1HD LYS 40 HD2 LYS 40 -10.267 10.675 0.743 301 2HD LYS 40 HD1 LYS 40 -11.566 11.635 1.453 302 1HE LYS 40 HE2 LYS 40 -10.113 12.652 2.862 303 2HE LYS 40 HE1 LYS 40 -9.497 11.085 3.424 304 1HZ LYS 40 HZ3 LYS 40 -8.448 11.055 1.044 305 2HZ LYS 40 HZ2 LYS 40 -8.582 12.743 1.180 306 3HZ LYS 40 HZ1 LYS 40 -7.669 11.865 2.314 307 H ARG 41 HN ARG 41 -10.622 4.939 1.153 308 HA ARG 41 HA ARG 41 -8.823 3.563 0.371 309 1HB ARG 41 HB2 ARG 41 -8.847 3.797 -2.036 310 2HB ARG 41 HB1 ARG 41 -10.462 4.113 -1.411 311 1HG ARG 41 HG2 ARG 41 -10.437 6.115 -2.423 312 2HG ARG 41 HG1 ARG 41 -9.060 6.593 -1.435 313 1HD ARG 41 HD2 ARG 41 -7.799 5.028 -3.255 314 2HD ARG 41 HD1 ARG 41 -9.118 5.650 -4.256 315 HE ARG 41 HE ARG 41 -6.835 7.145 -3.352 316 1HH1 ARG 41 HH21 ARG 41 -10.265 7.415 -3.642 317 2HH1 ARG 41 HH22 ARG 41 -10.267 9.135 -3.466 318 1HH2 ARG 41 HH11 ARG 41 -6.830 9.382 -3.152 319 2HH2 ARG 41 HH12 ARG 41 -8.330 10.247 -3.199 320 H GLU 42 HN GLU 42 -7.055 4.505 1.769 321 HA GLU 42 HA GLU 42 -5.024 5.760 -0.041 322 1HB GLU 42 HB2 GLU 42 -6.347 7.506 1.225 323 2HB GLU 42 HB1 GLU 42 -5.700 6.824 2.717 324 1HG GLU 42 HG2 GLU 42 -4.115 8.459 2.327 325 2HG GLU 42 HG1 GLU 42 -3.387 7.123 1.434 326 H ALA 43 HN ALA 43 -3.325 4.276 0.099 327 HA ALA 43 HA ALA 43 -2.740 3.158 2.814 328 1HB ALA 43 HB1 ALA 43 -2.119 2.150 0.025 329 2HB ALA 43 HB3 ALA 43 -1.710 1.309 1.520 330 3HB ALA 43 HB2 ALA 43 -3.400 1.552 1.080 331 H VAL 44 HN VAL 44 -1.024 4.202 3.749 332 HA VAL 44 HA VAL 44 1.174 5.175 1.961 333 HB VAL 44 HB VAL 44 -0.016 6.029 4.586 334 1HG1 VAL 44 HG11 VAL 44 2.833 6.005 3.931 335 2HG1 VAL 44 HG13 VAL 44 2.237 7.634 4.246 336 3HG1 VAL 44 HG12 VAL 44 2.043 6.374 5.464 337 1HG2 VAL 44 HG22 VAL 44 0.889 7.478 2.081 338 2HG2 VAL 44 HG21 VAL 44 -0.777 7.108 2.527 339 3HG2 VAL 44 HG23 VAL 44 0.157 8.257 3.484 340 H VAL 45 HN VAL 45 2.971 3.867 2.009 341 HA VAL 45 HA VAL 45 3.467 2.365 4.560 342 HB VAL 45 HB VAL 45 3.339 1.391 1.701 343 1HG1 VAL 45 HG11 VAL 45 5.259 0.449 3.180 344 2HG1 VAL 45 HG13 VAL 45 3.968 -0.347 4.077 345 3HG1 VAL 45 HG12 VAL 45 4.196 -0.695 2.365 346 1HG2 VAL 45 HG23 VAL 45 1.723 0.987 4.211 347 2HG2 VAL 45 HG22 VAL 45 1.165 1.414 2.593 348 3HG2 VAL 45 HG21 VAL 45 1.710 -0.228 2.933 349 H THR 46 HN THR 46 5.582 1.686 4.916 350 HA THR 46 HA THR 46 7.747 3.052 3.344 351 HB THR 46 HB THR 46 7.230 2.485 6.262 352 HG1 THR 46 HG1 THR 46 6.929 4.546 6.016 353 1HG2 THR 46 HG21 THR 46 9.845 2.380 4.862 354 2HG2 THR 46 HG23 THR 46 9.803 3.344 6.339 355 3HG2 THR 46 HG22 THR 46 9.351 1.639 6.384 356 H PHE 47 HN PHE 47 9.736 1.648 3.121 357 HA PHE 47 HA PHE 47 9.624 -1.088 4.050 358 1HB PHE 47 HB2 PHE 47 9.056 -2.133 1.928 359 2HB PHE 47 HB1 PHE 47 7.791 -0.973 2.343 360 HD1 PHE 47 HD2 PHE 47 10.710 -1.615 0.146 361 HD2 PHE 47 HD1 PHE 47 7.508 1.098 1.123 362 HE1 PHE 47 HE2 PHE 47 11.097 -0.389 -1.964 363 HE2 PHE 47 HE1 PHE 47 7.898 2.311 -1.001 364 HZ PHE 47 HZ PHE 47 9.688 1.568 -2.541 365 H ASP 48 HN ASP 48 11.209 -2.446 2.653 366 HA ASP 48 HA ASP 48 13.581 -0.726 2.117 367 1HB ASP 48 HB2 ASP 48 13.258 -3.665 2.824 368 2HB ASP 48 HB1 ASP 48 14.810 -2.880 2.534 369 H ASP 49 HN ASP 49 13.967 -0.458 -0.041 370 HA ASP 49 HA ASP 49 12.464 -1.811 -2.051 371 1HB ASP 49 HB2 ASP 49 13.539 -0.324 -3.440 372 2HB ASP 49 HB1 ASP 49 13.980 0.416 -1.904 373 H THR 50 HN THR 50 15.038 -2.985 -0.205 374 HA THR 50 HA THR 50 16.445 -4.601 -2.116 375 HB THR 50 HB THR 50 16.905 -5.887 0.126 376 HG1 THR 50 HG1 THR 50 16.201 -4.853 1.916 377 1HG2 THR 50 HG22 THR 50 17.680 -3.159 -0.744 378 2HG2 THR 50 HG21 THR 50 18.073 -3.580 0.923 379 3HG2 THR 50 HG23 THR 50 18.692 -4.563 -0.405 380 H LYS 51 HN LYS 51 13.398 -5.040 -0.387 381 HA LYS 51 HA LYS 51 13.122 -7.716 -1.710 382 1HB LYS 51 HB2 LYS 51 12.855 -6.816 1.091 383 2HB LYS 51 HB1 LYS 51 11.562 -7.877 0.531 384 1HG LYS 51 HG2 LYS 51 12.920 -9.679 0.540 385 2HG LYS 51 HG1 LYS 51 14.175 -8.817 -0.351 386 1HD LYS 51 HD2 LYS 51 15.099 -9.407 1.798 387 2HD LYS 51 HD1 LYS 51 14.798 -7.669 1.814 388 1HE LYS 51 HE2 LYS 51 12.807 -7.928 3.127 389 2HE LYS 51 HE1 LYS 51 12.798 -9.686 2.882 390 1HZ LYS 51 HZ1 LYS 51 15.286 -8.639 3.904 391 2HZ LYS 51 HZ3 LYS 51 13.979 -8.442 4.966 392 3HZ LYS 51 HZ2 LYS 51 14.390 -9.992 4.407 393 H ALA 52 HN ALA 52 11.847 -4.603 -1.365 394 HA ALA 52 HA ALA 52 9.350 -5.425 -2.762 395 1HB ALA 52 HB3 ALA 52 9.631 -4.473 -0.010 396 2HB ALA 52 HB2 ALA 52 8.536 -3.466 -0.956 397 3HB ALA 52 HB1 ALA 52 8.231 -5.196 -0.803 398 H SER 53 HN SER 53 8.116 -2.996 -2.913 399 HA SER 53 HA SER 53 9.830 -0.749 -3.438 400 1HB SER 53 HB2 SER 53 9.912 -2.879 -5.311 401 2HB SER 53 HB1 SER 53 9.016 -1.571 -6.079 402 HG SER 53 HG SER 53 11.017 -0.931 -6.454 403 H VAL 54 HN VAL 54 8.590 1.048 -4.306 404 HA VAL 54 HA VAL 54 5.964 1.383 -3.529 405 HB VAL 54 HB VAL 54 7.195 2.420 -6.103 406 1HG1 VAL 54 HG11 VAL 54 4.733 2.932 -4.708 407 2HG1 VAL 54 HG13 VAL 54 5.731 4.385 -4.676 408 3HG1 VAL 54 HG12 VAL 54 5.309 3.639 -6.218 409 1HG2 VAL 54 HG22 VAL 54 7.795 2.927 -3.234 410 2HG2 VAL 54 HG21 VAL 54 8.845 3.066 -4.644 411 3HG2 VAL 54 HG23 VAL 54 7.693 4.349 -4.273 412 H GLN 55 HN GLN 55 7.118 -0.019 -6.584 413 HA GLN 55 HA GLN 55 4.589 -0.359 -7.857 414 1HB GLN 55 HB2 GLN 55 7.083 -0.652 -8.637 415 2HB GLN 55 HB1 GLN 55 6.871 -2.314 -8.084 416 1HG GLN 55 HG2 GLN 55 4.563 -1.877 -9.530 417 2HG GLN 55 HG1 GLN 55 5.764 -0.976 -10.455 418 1HE2 GLN 55 HE22 GLN 55 7.119 -3.899 -11.849 419 2HE2 GLN 55 HE21 GLN 55 6.878 -2.222 -11.957 420 H LYS 56 HN LYS 56 6.466 -2.557 -5.743 421 HA LYS 56 HA LYS 56 4.547 -4.691 -5.772 422 1HB LYS 56 HB2 LYS 56 7.027 -3.911 -4.416 423 2HB LYS 56 HB1 LYS 56 5.957 -4.867 -3.390 424 1HG LYS 56 HG2 LYS 56 6.340 -6.750 -4.580 425 2HG LYS 56 HG1 LYS 56 6.106 -5.914 -6.116 426 1HD LYS 56 HD2 LYS 56 8.501 -4.867 -5.273 427 2HD LYS 56 HD1 LYS 56 8.601 -6.523 -4.673 428 1HE LYS 56 HE2 LYS 56 7.515 -6.527 -7.356 429 2HE LYS 56 HE1 LYS 56 9.067 -5.667 -7.322 430 1HZ LYS 56 HZ1 LYS 56 9.709 -7.616 -5.736 431 2HZ LYS 56 HZ3 LYS 56 8.464 -8.435 -6.544 432 3HZ LYS 56 HZ2 LYS 56 9.786 -7.827 -7.420 433 H LEU 57 HN LEU 57 4.641 -1.661 -3.978 434 HA LEU 57 HA LEU 57 2.887 -2.564 -1.826 435 1HB LEU 57 HB2 LEU 57 3.343 0.237 -2.906 436 2HB LEU 57 HB1 LEU 57 2.823 -0.201 -1.280 437 HG LEU 57 HG LEU 57 5.500 -0.995 -2.465 438 1HD1 LEU 57 HD12 LEU 57 4.744 1.556 -1.831 439 2HD1 LEU 57 HD11 LEU 57 5.371 0.987 -0.284 440 3HD1 LEU 57 HD13 LEU 57 6.399 0.955 -1.717 441 1HD2 LEU 57 HD22 LEU 57 4.038 -1.778 -0.112 442 2HD2 LEU 57 HD21 LEU 57 5.634 -2.309 -0.639 443 3HD2 LEU 57 HD23 LEU 57 5.472 -0.876 0.376 444 H THR 58 HN THR 58 2.395 -0.434 -4.651 445 HA THR 58 HA THR 58 -0.475 -0.403 -4.517 446 HB THR 58 HB THR 58 1.166 -0.135 -7.033 447 HG1 THR 58 HG1 THR 58 2.349 1.267 -6.047 448 1HG2 THR 58 HG22 THR 58 -1.374 0.200 -6.894 449 2HG2 THR 58 HG21 THR 58 -1.016 1.652 -5.960 450 3HG2 THR 58 HG23 THR 58 -0.443 1.509 -7.622 451 H LYS 59 HN LYS 59 1.866 -2.688 -5.654 452 HA LYS 59 HA LYS 59 0.039 -4.131 -7.435 453 1HB LYS 59 HB2 LYS 59 2.514 -3.988 -7.739 454 2HB LYS 59 HB1 LYS 59 2.729 -4.863 -6.222 455 1HG LYS 59 HG2 LYS 59 2.483 -6.814 -7.304 456 2HG LYS 59 HG1 LYS 59 0.873 -6.322 -7.831 457 1HD LYS 59 HD2 LYS 59 3.389 -5.407 -9.238 458 2HD LYS 59 HD1 LYS 59 2.530 -6.878 -9.695 459 1HE LYS 59 HE2 LYS 59 0.835 -4.454 -9.408 460 2HE LYS 59 HE1 LYS 59 1.957 -4.459 -10.783 461 1HZ LYS 59 HZ3 LYS 59 1.175 -6.856 -11.101 462 2HZ LYS 59 HZ2 LYS 59 -0.138 -6.432 -10.108 463 3HZ LYS 59 HZ1 LYS 59 0.117 -5.619 -11.578 464 H ALA 60 HN ALA 60 1.074 -4.210 -4.063 465 HA ALA 60 HA ALA 60 0.082 -6.867 -3.470 466 1HB ALA 60 HB3 ALA 60 1.527 -4.865 -2.207 467 2HB ALA 60 HB2 ALA 60 -0.002 -4.848 -1.328 468 3HB ALA 60 HB1 ALA 60 0.944 -6.333 -1.422 469 H THR 61 HN THR 61 -1.324 -3.597 -3.284 470 HA THR 61 HA THR 61 -3.912 -4.552 -2.293 471 HB THR 61 HB THR 61 -2.947 -2.271 -1.958 472 HG1 THR 61 HG1 THR 61 -5.218 -2.635 -1.922 473 1HG2 THR 61 HG21 THR 61 -1.907 -2.080 -4.205 474 2HG2 THR 61 HG23 THR 61 -3.517 -1.939 -4.912 475 3HG2 THR 61 HG22 THR 61 -2.921 -0.689 -3.820 476 H ALA 62 HN ALA 62 -2.409 -3.750 -5.382 477 HA ALA 62 HA ALA 62 -4.709 -3.966 -7.053 478 1HB ALA 62 HB3 ALA 62 -1.786 -4.646 -7.541 479 2HB ALA 62 HB2 ALA 62 -2.985 -4.377 -8.806 480 3HB ALA 62 HB1 ALA 62 -2.515 -3.052 -7.741 481 H ASP 63 HN ASP 63 -2.657 -6.300 -5.441 482 HA ASP 63 HA ASP 63 -3.823 -8.580 -6.923 483 1HB ASP 63 HB2 ASP 63 -1.380 -8.290 -6.145 484 2HB ASP 63 HB1 ASP 63 -1.982 -8.610 -4.519 485 H ALA 64 HN ALA 64 -4.330 -6.739 -4.032 486 HA ALA 64 HA ALA 64 -5.711 -8.790 -2.507 487 1HB ALA 64 HB1 ALA 64 -4.597 -6.496 -1.841 488 2HB ALA 64 HB3 ALA 64 -6.165 -5.821 -2.280 489 3HB ALA 64 HB2 ALA 64 -6.051 -7.020 -0.992 490 H GLY 65 HN GLY 65 -6.449 -6.746 -5.176 491 1HA GLY 65 HA2 GLY 65 -8.473 -7.371 -6.493 492 2HA GLY 65 HA1 GLY 65 -9.319 -7.522 -4.955 493 H TYR 66 HN TYR 66 -7.034 -4.941 -5.476 494 HA TYR 66 HA TYR 66 -9.307 -3.035 -5.883 495 1HB TYR 66 HB2 TYR 66 -7.066 -2.743 -3.859 496 2HB TYR 66 HB1 TYR 66 -8.482 -1.708 -4.036 497 HD1 TYR 66 HD1 TYR 66 -10.729 -3.380 -4.289 498 HD2 TYR 66 HD2 TYR 66 -7.216 -4.047 -1.898 499 HE1 TYR 66 HE1 TYR 66 -12.041 -4.833 -2.761 500 HE2 TYR 66 HE2 TYR 66 -8.529 -5.501 -0.380 501 HH TYR 66 HH TYR 66 -10.546 -6.285 0.130 502 HA PRO 67 HA PRO 67 -6.044 -2.047 -8.954 503 1HB PRO 67 HB2 PRO 67 -8.046 -0.303 -10.107 504 2HB PRO 67 HB1 PRO 67 -7.384 -1.800 -10.773 505 1HG PRO 67 HG2 PRO 67 -9.996 -1.383 -9.685 506 2HG PRO 67 HG1 PRO 67 -9.308 -2.891 -10.291 507 1HD PRO 67 HD2 PRO 67 -9.880 -2.187 -7.552 508 2HD PRO 67 HD1 PRO 67 -9.177 -3.705 -8.165 509 H SER 68 HN SER 68 -4.832 -0.802 -7.409 510 HA SER 68 HA SER 68 -5.819 1.973 -6.873 511 1HB SER 68 HB2 SER 68 -4.579 1.827 -4.883 512 2HB SER 68 HB1 SER 68 -5.170 0.182 -5.096 513 HG SER 68 HG SER 68 -3.140 -0.231 -6.188 514 H SER 69 HN SER 69 -3.377 3.093 -6.183 515 HA SER 69 HA SER 69 -1.492 2.836 -8.426 516 1HB SER 69 HB2 SER 69 -1.879 5.255 -9.028 517 2HB SER 69 HB1 SER 69 -3.261 4.221 -9.375 518 HG SER 69 HG SER 69 -3.077 5.410 -6.850 519 H VAL 70 HN VAL 70 -0.030 5.117 -8.032 520 HA VAL 70 HA VAL 70 0.424 5.238 -5.086 521 HB VAL 70 HB VAL 70 1.786 3.594 -6.450 522 1HG1 VAL 70 HG12 VAL 70 2.150 5.897 -8.053 523 2HG1 VAL 70 HG11 VAL 70 3.719 5.567 -7.318 524 3HG1 VAL 70 HG13 VAL 70 2.911 4.320 -8.268 525 1HG2 VAL 70 HG22 VAL 70 2.578 5.483 -4.417 526 2HG2 VAL 70 HG21 VAL 70 3.117 3.819 -4.634 527 3HG2 VAL 70 HG23 VAL 70 3.961 5.133 -5.453 528 H LYS 71 HN LYS 71 1.629 7.153 -4.387 529 HA LYS 71 HA LYS 71 2.258 9.267 -6.295 530 1HB LYS 71 HB2 LYS 71 0.324 10.721 -5.360 531 2HB LYS 71 HB1 LYS 71 -0.095 9.466 -6.529 532 1HG LYS 71 HG2 LYS 71 -1.331 8.352 -5.009 533 2HG LYS 71 HG1 LYS 71 -0.023 8.404 -3.827 534 1HD LYS 71 HD2 LYS 71 -1.765 9.631 -2.812 535 2HD LYS 71 HD1 LYS 71 -0.689 10.864 -3.470 536 1HE LYS 71 HE2 LYS 71 -2.143 11.354 -5.266 537 2HE LYS 71 HE1 LYS 71 -3.016 9.818 -5.092 538 1HZ LYS 71 HZ3 LYS 71 -3.456 10.695 -2.713 539 2HZ LYS 71 HZ2 LYS 71 -3.129 12.218 -3.388 540 3HZ LYS 71 HZ1 LYS 71 -4.405 11.274 -3.993 541 H GLN 72 HN GLN 72 3.726 8.190 -4.206 542 HA GLN 72 HA GLN 72 3.631 9.260 -1.645 543 1HB GLN 72 HB2 GLN 72 6.005 8.898 -1.625 544 2HB GLN 72 HB1 GLN 72 5.341 7.718 -2.755 545 1HG GLN 72 HG2 GLN 72 6.869 8.534 -4.218 546 2HG GLN 72 HG1 GLN 72 5.768 9.901 -4.381 547 1HE2 GLN 72 HE22 GLN 72 9.139 11.231 -3.448 548 2HE2 GLN 72 HE21 GLN 72 8.534 10.320 -4.746 No H/Q in entry = 548 Start of MODEL 11 1 1H ALA 1 HT3 ALA 1 -17.667 0.180 -0.261 2 2H ALA 1 HT2 ALA 1 -16.631 0.648 1.002 3 3H ALA 1 HT1 ALA 1 -18.239 1.196 0.971 4 HA ALA 1 HA ALA 1 -17.834 2.573 -0.920 5 1HB ALA 1 HB3 ALA 1 -16.634 2.747 1.628 6 2HB ALA 1 HB2 ALA 1 -15.401 3.279 0.484 7 3HB ALA 1 HB1 ALA 1 -16.971 4.080 0.524 8 H THR 2 HN THR 2 -15.512 3.654 -1.817 9 HA THR 2 HA THR 2 -13.662 1.578 -2.730 10 HB THR 2 HB THR 2 -14.342 2.925 -5.041 11 HG1 THR 2 HG1 THR 2 -16.518 3.068 -5.105 12 1HG2 THR 2 HG23 THR 2 -14.640 0.267 -3.905 13 2HG2 THR 2 HG22 THR 2 -15.915 0.630 -5.069 14 3HG2 THR 2 HG21 THR 2 -14.221 0.735 -5.553 15 H GLN 3 HN GLN 3 -12.153 2.916 -1.545 16 HA GLN 3 HA GLN 3 -11.717 5.638 -2.745 17 1HB GLN 3 HB2 GLN 3 -10.993 6.311 -0.505 18 2HB GLN 3 HB1 GLN 3 -12.586 5.562 -0.408 19 1HG GLN 3 HG2 GLN 3 -11.642 3.486 0.356 20 2HG GLN 3 HG1 GLN 3 -10.001 4.065 0.055 21 1HE2 GLN 3 HE22 GLN 3 -11.761 4.913 3.570 22 2HE2 GLN 3 HE21 GLN 3 -12.434 3.834 2.446 23 H THR 4 HN THR 4 -9.458 6.418 -2.584 24 HA THR 4 HA THR 4 -7.444 4.200 -2.704 25 HB THR 4 HB THR 4 -7.524 6.690 -4.431 26 HG1 THR 4 HG1 THR 4 -8.707 5.611 -5.839 27 1HG2 THR 4 HG23 THR 4 -5.378 5.315 -4.054 28 2HG2 THR 4 HG22 THR 4 -6.177 4.047 -4.982 29 3HG2 THR 4 HG21 THR 4 -5.858 5.614 -5.725 30 H VAL 5 HN VAL 5 -5.589 4.631 -1.539 31 HA VAL 5 HA VAL 5 -5.164 7.437 -0.537 32 HB VAL 5 HB VAL 5 -4.591 6.420 1.618 33 1HG1 VAL 5 HG11 VAL 5 -7.159 6.473 0.444 34 2HG1 VAL 5 HG13 VAL 5 -7.062 4.943 1.317 35 3HG1 VAL 5 HG12 VAL 5 -6.778 6.463 2.166 36 1HG2 VAL 5 HG23 VAL 5 -3.890 4.226 0.278 37 2HG2 VAL 5 HG22 VAL 5 -4.406 4.135 1.961 38 3HG2 VAL 5 HG21 VAL 5 -5.540 3.745 0.668 39 H THR 6 HN THR 6 -2.873 7.710 0.194 40 HA THR 6 HA THR 6 -1.039 6.205 -1.592 41 HB THR 6 HB THR 6 0.335 8.370 -0.743 42 HG1 THR 6 HG1 THR 6 -1.135 10.075 -0.469 43 1HG2 THR 6 HG22 THR 6 -1.840 8.336 -2.845 44 2HG2 THR 6 HG21 THR 6 -0.595 9.580 -2.727 45 3HG2 THR 6 HG23 THR 6 -0.143 7.912 -3.077 46 H LEU 7 HN LEU 7 1.025 5.547 -0.547 47 HA LEU 7 HA LEU 7 0.796 5.436 2.431 48 1HB LEU 7 HB2 LEU 7 0.564 3.350 0.464 49 2HB LEU 7 HB1 LEU 7 1.983 3.043 1.463 50 HG LEU 7 HG LEU 7 0.658 3.227 3.471 51 1HD1 LEU 7 HD11 LEU 7 -1.349 4.299 1.571 52 2HD1 LEU 7 HD13 LEU 7 -1.959 3.325 2.908 53 3HD1 LEU 7 HD12 LEU 7 -1.007 4.768 3.232 54 1HD2 LEU 7 HD21 LEU 7 0.641 1.055 2.120 55 2HD2 LEU 7 HD23 LEU 7 -0.693 1.252 3.257 56 3HD2 LEU 7 HD22 LEU 7 -0.950 1.544 1.537 57 H ALA 8 HN ALA 8 2.742 5.376 3.540 58 HA ALA 8 HA ALA 8 5.204 5.929 1.909 59 1HB ALA 8 HB3 ALA 8 3.999 7.742 3.374 60 2HB ALA 8 HB2 ALA 8 4.728 6.880 4.730 61 3HB ALA 8 HB1 ALA 8 5.752 7.593 3.483 62 H VAL 9 HN VAL 9 6.506 4.117 2.055 63 HA VAL 9 HA VAL 9 6.575 2.673 4.696 64 HB VAL 9 HB VAL 9 7.409 1.511 2.043 65 1HG1 VAL 9 HG11 VAL 9 7.720 0.418 4.368 66 2HG1 VAL 9 HG13 VAL 9 5.973 0.181 4.336 67 3HG1 VAL 9 HG12 VAL 9 6.985 -0.557 3.095 68 1HG2 VAL 9 HG22 VAL 9 4.749 2.449 2.724 69 2HG2 VAL 9 HG21 VAL 9 5.314 1.709 1.228 70 3HG2 VAL 9 HG23 VAL 9 4.757 0.694 2.557 71 HA PRO 10 HA PRO 10 10.841 4.346 3.942 72 1HB PRO 10 HB2 PRO 10 11.023 5.461 6.488 73 2HB PRO 10 HB1 PRO 10 10.518 6.327 5.033 74 1HG PRO 10 HG2 PRO 10 8.906 5.501 7.330 75 2HG PRO 10 HG1 PRO 10 8.501 6.633 6.037 76 1HD PRO 10 HD2 PRO 10 7.572 3.920 6.362 77 2HD PRO 10 HD1 PRO 10 7.190 5.056 5.047 78 H GLY 11 HN GLY 11 10.059 1.637 4.791 79 1HA GLY 11 HA2 GLY 11 12.100 1.187 6.929 80 2HA GLY 11 HA1 GLY 11 10.622 0.231 6.814 81 H MET 12 HN MET 12 11.584 0.875 3.696 82 HA MET 12 HA MET 12 13.613 -1.252 3.494 83 1HB MET 12 HB2 MET 12 12.213 -2.876 2.527 84 2HB MET 12 HB1 MET 12 11.209 -2.206 3.807 85 1HG MET 12 HG2 MET 12 11.125 -1.305 0.912 86 2HG MET 12 HG1 MET 12 9.974 -2.418 1.649 87 1HE MET 12 HE2 MET 12 10.412 0.368 0.246 88 2HE MET 12 HE1 MET 12 8.999 1.309 0.717 89 3HE MET 12 HE3 MET 12 10.598 1.731 1.346 90 H THR 13 HN THR 13 12.919 1.635 2.609 91 HA THR 13 HA THR 13 12.482 1.950 -0.114 92 HB THR 13 HB THR 13 14.386 3.271 1.829 93 HG1 THR 13 HG1 THR 13 12.484 3.941 2.416 94 1HG2 THR 13 HG21 THR 13 14.314 3.537 -1.021 95 2HG2 THR 13 HG23 THR 13 13.709 5.025 -0.294 96 3HG2 THR 13 HG22 THR 13 15.307 4.417 0.141 97 H CYS 14 HN CYS 14 13.370 0.208 -1.391 98 HA CYS 14 HA CYS 14 15.987 0.611 -2.452 99 1HB CYS 14 HB2 CYS 14 17.230 -0.357 -0.821 100 2HB CYS 14 HB1 CYS 14 15.780 -0.812 0.062 101 H ALA 15 HN ALA 15 15.391 0.053 -4.491 102 HA ALA 15 HA ALA 15 13.404 -1.250 -5.669 103 1HB ALA 15 HB2 ALA 15 16.105 -0.739 -6.259 104 2HB ALA 15 HB1 ALA 15 15.827 -2.415 -6.734 105 3HB ALA 15 HB3 ALA 15 14.825 -1.129 -7.408 106 H ALA 16 HN ALA 16 12.625 -2.766 -3.901 107 HA ALA 16 HA ALA 16 12.895 -5.485 -4.660 108 1HB ALA 16 HB1 ALA 16 14.845 -4.388 -2.674 109 2HB ALA 16 HB3 ALA 16 14.238 -6.023 -2.412 110 3HB ALA 16 HB2 ALA 16 15.084 -5.625 -3.908 111 H CYS 17 HN CYS 17 12.675 -3.523 -1.681 112 HA CYS 17 HA CYS 17 10.509 -5.268 -0.662 113 1HB CYS 17 HB2 CYS 17 11.988 -2.957 0.602 114 2HB CYS 17 HB1 CYS 17 11.047 -4.195 1.438 115 HA PRO 18 HA PRO 18 8.418 -0.886 -0.539 116 1HB PRO 18 HB2 PRO 18 9.279 0.420 -2.959 117 2HB PRO 18 HB1 PRO 18 9.425 0.998 -1.302 118 1HG PRO 18 HG2 PRO 18 11.531 0.086 -2.984 119 2HG PRO 18 HG1 PRO 18 11.630 0.545 -1.281 120 1HD PRO 18 HD2 PRO 18 11.801 -2.113 -2.440 121 2HD PRO 18 HD1 PRO 18 12.020 -1.648 -0.739 122 H ILE 19 HN ILE 19 9.462 -2.358 -3.601 123 HA ILE 19 HA ILE 19 6.916 -2.184 -4.962 124 HB ILE 19 HB ILE 19 9.418 -3.858 -5.121 125 1HG1 ILE 19 HG12 ILE 19 8.023 -2.248 -7.266 126 2HG1 ILE 19 HG11 ILE 19 9.104 -1.497 -6.092 127 1HG2 ILE 19 HG23 ILE 19 6.829 -4.353 -6.612 128 2HG2 ILE 19 HG22 ILE 19 8.392 -4.931 -7.189 129 3HG2 ILE 19 HG21 ILE 19 7.752 -5.506 -5.649 130 1HD1 ILE 19 HD11 ILE 19 10.257 -3.910 -7.272 131 2HD1 ILE 19 HD13 ILE 19 9.880 -2.686 -8.484 132 3HD1 ILE 19 HD12 ILE 19 10.946 -2.293 -7.136 133 H THR 20 HN THR 20 8.270 -4.336 -2.536 134 HA THR 20 HA THR 20 6.361 -6.478 -2.698 135 HB THR 20 HB THR 20 7.791 -5.470 -0.217 136 HG1 THR 20 HG1 THR 20 8.847 -7.044 -2.327 137 1HG2 THR 20 HG22 THR 20 6.702 -8.082 -1.213 138 2HG2 THR 20 HG21 THR 20 8.055 -8.084 -0.081 139 3HG2 THR 20 HG23 THR 20 6.527 -7.332 0.374 140 H VAL 21 HN VAL 21 6.341 -3.272 -1.403 141 HA VAL 21 HA VAL 21 4.147 -3.557 0.432 142 HB VAL 21 HB VAL 21 5.210 -1.158 -1.099 143 1HG1 VAL 21 HG13 VAL 21 2.894 -1.285 0.338 144 2HG1 VAL 21 HG12 VAL 21 4.047 -0.819 1.589 145 3HG1 VAL 21 HG11 VAL 21 3.863 0.177 0.147 146 1HG2 VAL 21 HG23 VAL 21 6.906 -2.403 0.285 147 2HG2 VAL 21 HG22 VAL 21 6.618 -0.752 0.837 148 3HG2 VAL 21 HG21 VAL 21 5.892 -2.109 1.698 149 H LYS 22 HN LYS 22 4.510 -3.002 -3.014 150 HA LYS 22 HA LYS 22 1.822 -2.145 -3.561 151 1HB LYS 22 HB2 LYS 22 3.441 -1.737 -5.242 152 2HB LYS 22 HB1 LYS 22 4.106 -3.362 -5.114 153 1HG LYS 22 HG2 LYS 22 2.667 -4.161 -6.654 154 2HG LYS 22 HG1 LYS 22 1.288 -3.430 -5.830 155 1HD LYS 22 HD2 LYS 22 1.227 -1.698 -7.276 156 2HD LYS 22 HD1 LYS 22 2.963 -1.426 -7.124 157 1HE LYS 22 HE2 LYS 22 2.058 -3.815 -8.694 158 2HE LYS 22 HE1 LYS 22 1.932 -2.213 -9.447 159 1HZ LYS 22 HZ3 LYS 22 4.371 -2.382 -8.053 160 2HZ LYS 22 HZ2 LYS 22 4.242 -3.740 -9.065 161 3HZ LYS 22 HZ1 LYS 22 4.122 -2.177 -9.718 162 H LYS 23 HN LYS 23 3.503 -5.250 -3.416 163 HA LYS 23 HA LYS 23 1.228 -6.812 -4.245 164 1HB LYS 23 HB2 LYS 23 3.596 -7.647 -2.558 165 2HB LYS 23 HB1 LYS 23 2.637 -8.678 -3.621 166 1HG LYS 23 HG2 LYS 23 4.596 -6.509 -4.379 167 2HG LYS 23 HG1 LYS 23 4.571 -8.195 -4.895 168 1HD LYS 23 HD2 LYS 23 2.180 -7.481 -5.850 169 2HD LYS 23 HD1 LYS 23 2.938 -5.888 -5.867 170 1HE LYS 23 HE2 LYS 23 4.682 -6.619 -7.335 171 2HE LYS 23 HE1 LYS 23 4.265 -8.327 -7.088 172 1HZ LYS 23 HZ2 LYS 23 2.247 -6.416 -8.077 173 2HZ LYS 23 HZ1 LYS 23 3.341 -7.135 -9.159 174 3HZ LYS 23 HZ3 LYS 23 2.289 -8.106 -8.249 175 H ALA 24 HN ALA 24 2.386 -5.568 -1.228 176 HA ALA 24 HA ALA 24 0.878 -7.150 0.586 177 1HB ALA 24 HB1 ALA 24 2.819 -5.321 0.779 178 2HB ALA 24 HB3 ALA 24 1.446 -4.269 1.124 179 3HB ALA 24 HB2 ALA 24 1.754 -5.678 2.139 180 H LEU 25 HN LEU 25 0.138 -4.028 -1.004 181 HA LEU 25 HA LEU 25 -2.479 -3.789 0.258 182 1HB LEU 25 HB2 LEU 25 -1.586 -2.479 -2.312 183 2HB LEU 25 HB1 LEU 25 -2.661 -1.833 -1.075 184 HG LEU 25 HG LEU 25 -0.082 -2.474 0.074 185 1HD1 LEU 25 HD11 LEU 25 0.471 -2.023 -2.395 186 2HD1 LEU 25 HD13 LEU 25 -0.014 -0.360 -2.075 187 3HD1 LEU 25 HD12 LEU 25 1.340 -1.069 -1.193 188 1HD2 LEU 25 HD23 LEU 25 -1.784 -0.920 1.009 189 2HD2 LEU 25 HD22 LEU 25 -0.227 -0.124 0.781 190 3HD2 LEU 25 HD21 LEU 25 -1.536 0.156 -0.367 191 H SER 26 HN SER 26 -1.245 -5.023 -2.820 192 HA SER 26 HA SER 26 -3.769 -5.415 -4.119 193 1HB SER 26 HB2 SER 26 -1.044 -5.749 -4.644 194 2HB SER 26 HB1 SER 26 -1.686 -7.389 -4.697 195 HG SER 26 HG SER 26 -1.770 -5.985 -6.682 196 H LYS 27 HN LYS 27 -2.125 -7.021 -1.546 197 HA LYS 27 HA LYS 27 -4.039 -9.297 -1.726 198 1HB LYS 27 HB2 LYS 27 -1.195 -8.976 -0.846 199 2HB LYS 27 HB1 LYS 27 -2.164 -10.253 -0.109 200 1HG LYS 27 HG2 LYS 27 -0.950 -11.073 -2.107 201 2HG LYS 27 HG1 LYS 27 -2.698 -11.154 -2.331 202 1HD LYS 27 HD2 LYS 27 -2.696 -9.553 -3.954 203 2HD LYS 27 HD1 LYS 27 -1.448 -8.603 -3.148 204 1HE LYS 27 HE2 LYS 27 -0.560 -9.519 -5.256 205 2HE LYS 27 HE1 LYS 27 0.257 -10.291 -3.882 206 1HZ LYS 27 HZ1 LYS 27 -1.399 -12.075 -3.974 207 2HZ LYS 27 HZ3 LYS 27 -2.102 -11.363 -5.342 208 3HZ LYS 27 HZ2 LYS 27 -0.518 -11.972 -5.422 209 H VAL 28 HN VAL 28 -3.602 -6.434 -0.150 210 HA VAL 28 HA VAL 28 -3.791 -6.922 2.606 211 HB VAL 28 HB VAL 28 -3.598 -4.727 1.422 212 1HG1 VAL 28 HG13 VAL 28 -5.525 -5.394 -0.187 213 2HG1 VAL 28 HG12 VAL 28 -6.593 -4.827 1.096 214 3HG1 VAL 28 HG11 VAL 28 -5.442 -3.718 0.352 215 1HG2 VAL 28 HG23 VAL 28 -4.329 -4.973 3.840 216 2HG2 VAL 28 HG22 VAL 28 -4.843 -3.478 3.059 217 3HG2 VAL 28 HG21 VAL 28 -5.991 -4.799 3.277 218 H GLU 29 HN GLU 29 -6.405 -6.979 0.171 219 HA GLU 29 HA GLU 29 -7.989 -8.960 1.328 220 1HB GLU 29 HB2 GLU 29 -7.929 -6.483 2.835 221 2HB GLU 29 HB1 GLU 29 -9.576 -6.860 2.322 222 1HG GLU 29 HG2 GLU 29 -8.729 -9.316 3.096 223 2HG GLU 29 HG1 GLU 29 -7.811 -8.301 4.206 224 H GLY 30 HN GLY 30 -9.412 -5.760 0.833 225 1HA GLY 30 HA2 GLY 30 -10.814 -6.848 -1.548 226 2HA GLY 30 HA1 GLY 30 -11.325 -5.449 -0.611 227 H VAL 31 HN VAL 31 -8.019 -5.258 -1.111 228 HA VAL 31 HA VAL 31 -7.876 -2.896 -2.528 229 HB VAL 31 HB VAL 31 -5.972 -4.172 -1.632 230 1HG1 VAL 31 HG11 VAL 31 -7.092 -6.275 -3.066 231 2HG1 VAL 31 HG13 VAL 31 -5.629 -5.889 -3.972 232 3HG1 VAL 31 HG12 VAL 31 -5.523 -6.296 -2.260 233 1HG2 VAL 31 HG22 VAL 31 -5.816 -2.462 -3.602 234 2HG2 VAL 31 HG21 VAL 31 -4.412 -3.468 -3.248 235 3HG2 VAL 31 HG23 VAL 31 -5.478 -3.882 -4.591 236 H SER 32 HN SER 32 -8.500 -2.219 -4.477 237 HA SER 32 HA SER 32 -9.293 -4.254 -6.516 238 1HB SER 32 HB2 SER 32 -11.033 -2.723 -5.638 239 2HB SER 32 HB1 SER 32 -10.060 -1.342 -6.134 240 HG SER 32 HG SER 32 -11.768 -2.095 -7.624 241 H LYS 33 HN LYS 33 -6.945 -1.924 -5.760 242 HA LYS 33 HA LYS 33 -5.655 -2.285 -8.369 243 1HB LYS 33 HB2 LYS 33 -6.852 -0.604 -9.328 244 2HB LYS 33 HB1 LYS 33 -7.407 0.003 -7.774 245 1HG LYS 33 HG2 LYS 33 -5.137 1.045 -7.447 246 2HG LYS 33 HG1 LYS 33 -4.731 0.554 -9.093 247 1HD LYS 33 HD2 LYS 33 -7.304 1.970 -8.870 248 2HD LYS 33 HD1 LYS 33 -5.906 2.949 -8.424 249 1HE LYS 33 HE2 LYS 33 -5.659 3.295 -10.666 250 2HE LYS 33 HE1 LYS 33 -5.048 1.629 -10.722 251 1HZ LYS 33 HZ2 LYS 33 -7.461 0.940 -10.784 252 2HZ LYS 33 HZ1 LYS 33 -7.832 2.564 -11.119 253 3HZ LYS 33 HZ3 LYS 33 -6.866 1.677 -12.195 254 H VAL 34 HN VAL 34 -3.545 -0.970 -8.428 255 HA VAL 34 HA VAL 34 -2.582 0.142 -5.898 256 HB VAL 34 HB VAL 34 -2.663 -2.344 -5.555 257 1HG1 VAL 34 HG12 VAL 34 -1.389 -2.253 -8.147 258 2HG1 VAL 34 HG11 VAL 34 -0.363 -3.115 -7.000 259 3HG1 VAL 34 HG13 VAL 34 -2.022 -3.649 -7.274 260 1HG2 VAL 34 HG23 VAL 34 -1.023 -0.898 -4.364 261 2HG2 VAL 34 HG22 VAL 34 -0.383 -2.514 -4.664 262 3HG2 VAL 34 HG21 VAL 34 0.130 -1.160 -5.672 263 H ASP 35 HN ASP 35 -0.499 1.084 -6.124 264 HA ASP 35 HA ASP 35 1.091 0.777 -8.564 265 1HB ASP 35 HB2 ASP 35 -0.958 2.240 -9.099 266 2HB ASP 35 HB1 ASP 35 -0.248 3.442 -8.020 267 H VAL 36 HN VAL 36 2.799 0.416 -7.031 268 HA VAL 36 HA VAL 36 3.381 2.664 -5.157 269 HB VAL 36 HB VAL 36 4.447 -0.170 -5.248 270 1HG1 VAL 36 HG13 VAL 36 4.507 2.045 -3.195 271 2HG1 VAL 36 HG12 VAL 36 4.775 0.360 -2.760 272 3HG1 VAL 36 HG11 VAL 36 5.867 1.165 -3.886 273 1HG2 VAL 36 HG23 VAL 36 1.988 1.029 -3.973 274 2HG2 VAL 36 HG22 VAL 36 2.119 -0.438 -4.944 275 3HG2 VAL 36 HG21 VAL 36 2.752 -0.411 -3.298 276 H GLY 37 HN GLY 37 5.824 2.859 -4.712 277 1HA GLY 37 HA2 GLY 37 7.370 2.676 -7.249 278 2HA GLY 37 HA1 GLY 37 7.378 4.156 -6.286 279 H PHE 38 HN PHE 38 9.120 1.501 -6.924 280 HA PHE 38 HA PHE 38 10.041 0.389 -4.518 281 1HB PHE 38 HB2 PHE 38 12.104 -0.008 -5.981 282 2HB PHE 38 HB1 PHE 38 10.574 -0.525 -6.669 283 HD1 PHE 38 HD2 PHE 38 13.012 2.313 -6.652 284 HD2 PHE 38 HD1 PHE 38 9.788 0.355 -8.708 285 HE1 PHE 38 HE2 PHE 38 13.363 3.790 -8.606 286 HE2 PHE 38 HE1 PHE 38 10.145 1.833 -10.668 287 HZ PHE 38 HZ PHE 38 11.933 3.552 -10.615 288 H GLU 39 HN GLU 39 12.924 1.121 -4.937 289 HA GLU 39 HA GLU 39 14.110 2.470 -3.191 290 1HB GLU 39 HB2 GLU 39 14.921 2.461 -5.522 291 2HB GLU 39 HB1 GLU 39 13.876 3.835 -5.885 292 1HG GLU 39 HG2 GLU 39 16.042 4.751 -5.435 293 2HG GLU 39 HG1 GLU 39 15.065 5.075 -4.002 294 H LYS 40 HN LYS 40 12.242 4.805 -5.197 295 HA LYS 40 HA LYS 40 12.213 7.044 -3.636 296 1HB LYS 40 HB2 LYS 40 10.419 5.722 -5.505 297 2HB LYS 40 HB1 LYS 40 9.517 6.686 -4.334 298 1HG LYS 40 HG2 LYS 40 11.186 8.567 -4.819 299 2HG LYS 40 HG1 LYS 40 11.705 7.606 -6.204 300 1HD LYS 40 HD2 LYS 40 8.893 7.615 -6.316 301 2HD LYS 40 HD1 LYS 40 9.353 9.274 -5.928 302 1HE LYS 40 HE2 LYS 40 9.587 9.398 -8.226 303 2HE LYS 40 HE1 LYS 40 11.189 8.730 -7.855 304 1HZ LYS 40 HZ2 LYS 40 10.211 6.493 -8.013 305 2HZ LYS 40 HZ1 LYS 40 8.738 7.180 -8.505 306 3HZ LYS 40 HZ3 LYS 40 10.113 7.339 -9.484 307 H ARG 41 HN ARG 41 9.663 4.576 -3.238 308 HA ARG 41 HA ARG 41 9.072 3.508 -1.117 309 1HB ARG 41 HB2 ARG 41 10.958 4.759 -0.026 310 2HB ARG 41 HB1 ARG 41 9.877 6.146 0.114 311 1HG ARG 41 HG2 ARG 41 8.569 3.758 1.084 312 2HG ARG 41 HG1 ARG 41 10.102 4.011 1.922 313 1HD ARG 41 HD2 ARG 41 7.837 6.015 1.654 314 2HD ARG 41 HD1 ARG 41 8.419 5.260 3.141 315 HE ARG 41 HE ARG 41 10.679 6.434 1.965 316 1HH1 ARG 41 HH21 ARG 41 7.569 7.424 3.087 317 2HH1 ARG 41 HH22 ARG 41 8.088 9.018 3.518 318 1HH2 ARG 41 HH11 ARG 41 11.370 8.506 2.523 319 2HH2 ARG 41 HH12 ARG 41 10.241 9.632 3.198 320 H GLU 42 HN GLU 42 7.057 3.875 -2.430 321 HA GLU 42 HA GLU 42 5.151 5.377 -0.786 322 1HB GLU 42 HB2 GLU 42 6.394 7.117 -2.143 323 2HB GLU 42 HB1 GLU 42 5.694 6.395 -3.592 324 1HG GLU 42 HG2 GLU 42 3.815 7.069 -1.380 325 2HG GLU 42 HG1 GLU 42 4.502 8.417 -2.286 326 H ALA 43 HN ALA 43 3.396 3.985 -0.847 327 HA ALA 43 HA ALA 43 2.794 2.637 -3.458 328 1HB ALA 43 HB1 ALA 43 2.261 1.929 -0.564 329 2HB ALA 43 HB3 ALA 43 1.646 0.993 -1.926 330 3HB ALA 43 HB2 ALA 43 3.385 1.129 -1.664 331 H VAL 44 HN VAL 44 1.037 3.517 -4.496 332 HA VAL 44 HA VAL 44 -1.098 4.767 -2.813 333 HB VAL 44 HB VAL 44 0.211 6.047 -4.649 334 1HG1 VAL 44 HG13 VAL 44 -0.325 3.918 -6.211 335 2HG1 VAL 44 HG12 VAL 44 -1.727 4.909 -6.601 336 3HG1 VAL 44 HG11 VAL 44 -0.102 5.537 -6.865 337 1HG2 VAL 44 HG21 VAL 44 -2.331 6.298 -3.657 338 2HG2 VAL 44 HG23 VAL 44 -1.568 7.461 -4.741 339 3HG2 VAL 44 HG22 VAL 44 -2.640 6.221 -5.391 340 H VAL 45 HN VAL 45 -2.893 3.511 -2.589 341 HA VAL 45 HA VAL 45 -3.442 1.513 -4.764 342 HB VAL 45 HB VAL 45 -2.374 0.794 -2.535 343 1HG1 VAL 45 HG13 VAL 45 -4.120 2.268 -1.282 344 2HG1 VAL 45 HG12 VAL 45 -5.194 0.887 -1.503 345 3HG1 VAL 45 HG11 VAL 45 -3.690 0.698 -0.603 346 1HG2 VAL 45 HG21 VAL 45 -4.926 -0.423 -3.618 347 2HG2 VAL 45 HG23 VAL 45 -3.268 -0.876 -4.011 348 3HG2 VAL 45 HG22 VAL 45 -3.922 -1.227 -2.411 349 H THR 46 HN THR 46 -5.606 0.797 -4.952 350 HA THR 46 HA THR 46 -7.701 2.687 -3.925 351 HB THR 46 HB THR 46 -7.180 1.314 -6.557 352 HG1 THR 46 HG1 THR 46 -8.253 3.549 -7.005 353 1HG2 THR 46 HG22 THR 46 -9.898 2.252 -5.591 354 2HG2 THR 46 HG21 THR 46 -9.522 1.723 -7.231 355 3HG2 THR 46 HG23 THR 46 -9.437 0.577 -5.892 356 H PHE 47 HN PHE 47 -9.728 1.538 -3.321 357 HA PHE 47 HA PHE 47 -9.858 -1.345 -3.489 358 1HB PHE 47 HB2 PHE 47 -9.362 -1.840 -1.161 359 2HB PHE 47 HB1 PHE 47 -8.010 -0.927 -1.833 360 HD1 PHE 47 HD2 PHE 47 -11.048 -0.695 0.309 361 HD2 PHE 47 HD1 PHE 47 -7.504 1.306 -1.093 362 HE1 PHE 47 HE2 PHE 47 -11.376 1.078 2.000 363 HE2 PHE 47 HE1 PHE 47 -7.840 3.077 0.611 364 HZ PHE 47 HZ PHE 47 -9.783 2.967 2.144 365 H ASP 48 HN ASP 48 -11.515 -2.149 -1.778 366 HA ASP 48 HA ASP 48 -13.777 -0.208 -1.768 367 1HB ASP 48 HB2 ASP 48 -13.840 -3.217 -1.387 368 2HB ASP 48 HB1 ASP 48 -15.181 -2.167 -1.847 369 H ASP 49 HN ASP 49 -14.027 0.715 0.232 370 HA ASP 49 HA ASP 49 -12.661 -0.206 2.559 371 1HB ASP 49 HB2 ASP 49 -13.212 2.061 2.507 372 2HB ASP 49 HB1 ASP 49 -14.851 1.753 1.934 373 H THR 50 HN THR 50 -15.407 -1.525 1.084 374 HA THR 50 HA THR 50 -16.905 -2.325 3.438 375 HB THR 50 HB THR 50 -17.639 -4.099 1.551 376 HG1 THR 50 HG1 THR 50 -15.788 -3.221 0.283 377 1HG2 THR 50 HG21 THR 50 -18.596 -1.700 2.521 378 2HG2 THR 50 HG23 THR 50 -18.497 -1.403 0.785 379 3HG2 THR 50 HG22 THR 50 -19.449 -2.756 1.396 380 H LYS 51 HN LYS 51 -14.122 -3.616 1.728 381 HA LYS 51 HA LYS 51 -14.121 -5.968 3.599 382 1HB LYS 51 HB2 LYS 51 -14.114 -5.767 0.736 383 2HB LYS 51 HB1 LYS 51 -12.580 -6.466 1.254 384 1HG LYS 51 HG2 LYS 51 -13.987 -8.004 2.764 385 2HG LYS 51 HG1 LYS 51 -15.371 -7.477 1.804 386 1HD LYS 51 HD2 LYS 51 -14.805 -8.884 0.145 387 2HD LYS 51 HD1 LYS 51 -13.197 -8.166 0.046 388 1HE LYS 51 HE2 LYS 51 -12.245 -9.773 1.421 389 2HE LYS 51 HE1 LYS 51 -13.757 -10.054 2.309 390 1HZ LYS 51 HZ3 LYS 51 -14.664 -10.877 0.110 391 2HZ LYS 51 HZ2 LYS 51 -13.054 -10.931 -0.431 392 3HZ LYS 51 HZ1 LYS 51 -13.545 -11.890 0.883 393 H ALA 52 HN ALA 52 -12.607 -3.103 2.875 394 HA ALA 52 HA ALA 52 -10.175 -3.848 4.366 395 1HB ALA 52 HB1 ALA 52 -10.271 -3.241 1.413 396 2HB ALA 52 HB3 ALA 52 -8.823 -2.874 2.351 397 3HB ALA 52 HB2 ALA 52 -9.407 -4.535 2.243 398 H SER 53 HN SER 53 -8.638 -1.628 3.827 399 HA SER 53 HA SER 53 -10.059 0.847 3.601 400 1HB SER 53 HB2 SER 53 -9.846 1.288 6.187 401 2HB SER 53 HB1 SER 53 -11.222 0.377 5.574 402 HG SER 53 HG SER 53 -10.535 -1.213 6.746 403 H VAL 54 HN VAL 54 -8.672 2.686 4.121 404 HA VAL 54 HA VAL 54 -6.033 2.615 3.375 405 HB VAL 54 HB VAL 54 -7.367 4.634 3.854 406 1HG1 VAL 54 HG11 VAL 54 -8.276 3.544 6.028 407 2HG1 VAL 54 HG13 VAL 54 -6.819 4.188 6.785 408 3HG1 VAL 54 HG12 VAL 54 -7.981 5.282 6.035 409 1HG2 VAL 54 HG22 VAL 54 -4.627 4.192 4.677 410 2HG2 VAL 54 HG21 VAL 54 -5.343 5.619 3.926 411 3HG2 VAL 54 HG23 VAL 54 -5.372 5.437 5.680 412 H GLN 55 HN GLN 55 -7.259 2.064 6.678 413 HA GLN 55 HA GLN 55 -4.736 1.759 7.972 414 1HB GLN 55 HB2 GLN 55 -7.472 1.601 8.566 415 2HB GLN 55 HB1 GLN 55 -6.841 0.000 8.957 416 1HG GLN 55 HG2 GLN 55 -6.539 1.265 10.944 417 2HG GLN 55 HG1 GLN 55 -4.947 1.231 10.185 418 1HE2 GLN 55 HE22 GLN 55 -6.838 4.770 10.687 419 2HE2 GLN 55 HE21 GLN 55 -7.493 3.316 11.268 420 H LYS 56 HN LYS 56 -6.896 -0.677 6.474 421 HA LYS 56 HA LYS 56 -5.212 -2.933 6.996 422 1HB LYS 56 HB2 LYS 56 -7.674 -2.274 5.676 423 2HB LYS 56 HB1 LYS 56 -6.718 -3.299 4.604 424 1HG LYS 56 HG2 LYS 56 -6.877 -5.111 5.980 425 2HG LYS 56 HG1 LYS 56 -6.737 -4.135 7.442 426 1HD LYS 56 HD2 LYS 56 -9.156 -3.297 6.606 427 2HD LYS 56 HD1 LYS 56 -9.167 -4.920 5.915 428 1HE LYS 56 HE2 LYS 56 -9.498 -5.856 7.954 429 2HE LYS 56 HE1 LYS 56 -8.143 -4.943 8.649 430 1HZ LYS 56 HZ3 LYS 56 -9.651 -2.952 8.555 431 2HZ LYS 56 HZ2 LYS 56 -10.932 -4.021 8.231 432 3HZ LYS 56 HZ1 LYS 56 -10.081 -4.129 9.698 433 H LEU 57 HN LEU 57 -5.044 -0.405 4.536 434 HA LEU 57 HA LEU 57 -3.393 -1.924 2.677 435 1HB LEU 57 HB2 LEU 57 -3.597 1.073 3.117 436 2HB LEU 57 HB1 LEU 57 -3.098 0.256 1.637 437 HG LEU 57 HG LEU 57 -5.841 -0.077 2.887 438 1HD1 LEU 57 HD12 LEU 57 -4.856 2.218 1.737 439 2HD1 LEU 57 HD11 LEU 57 -5.603 1.401 0.366 440 3HD1 LEU 57 HD13 LEU 57 -6.559 1.769 1.799 441 1HD2 LEU 57 HD21 LEU 57 -4.546 -0.922 0.291 442 2HD2 LEU 57 HD23 LEU 57 -5.401 -1.924 1.464 443 3HD2 LEU 57 HD22 LEU 57 -6.298 -0.794 0.448 444 H THR 58 HN THR 58 -2.712 0.635 5.068 445 HA THR 58 HA THR 58 0.147 0.452 4.945 446 HB THR 58 HB THR 58 -1.437 1.194 7.401 447 HG1 THR 58 HG1 THR 58 -1.111 3.061 5.363 448 1HG2 THR 58 HG22 THR 58 1.152 1.351 7.059 449 2HG2 THR 58 HG21 THR 58 0.760 2.769 6.086 450 3HG2 THR 58 HG23 THR 58 0.301 2.713 7.788 451 H LYS 59 HN LYS 59 -2.339 -1.463 6.407 452 HA LYS 59 HA LYS 59 -0.605 -2.778 8.373 453 1HB LYS 59 HB2 LYS 59 -3.191 -2.353 8.367 454 2HB LYS 59 HB1 LYS 59 -3.252 -3.792 7.347 455 1HG LYS 59 HG2 LYS 59 -1.639 -4.736 9.269 456 2HG LYS 59 HG1 LYS 59 -2.517 -3.540 10.225 457 1HD LYS 59 HD2 LYS 59 -3.784 -5.553 10.407 458 2HD LYS 59 HD1 LYS 59 -4.658 -4.548 9.250 459 1HE LYS 59 HE2 LYS 59 -3.279 -5.775 7.429 460 2HE LYS 59 HE1 LYS 59 -2.928 -6.964 8.699 461 1HZ LYS 59 HZ1 LYS 59 -5.398 -6.911 9.166 462 2HZ LYS 59 HZ3 LYS 59 -5.577 -6.109 7.682 463 3HZ LYS 59 HZ2 LYS 59 -4.929 -7.679 7.725 464 H ALA 60 HN ALA 60 -1.620 -3.250 5.041 465 HA ALA 60 HA ALA 60 -0.866 -6.048 4.865 466 1HB ALA 60 HB3 ALA 60 -1.875 -3.889 3.196 467 2HB ALA 60 HB2 ALA 60 -0.642 -4.815 2.340 468 3HB ALA 60 HB1 ALA 60 -2.068 -5.629 2.985 469 H THR 61 HN THR 61 0.767 -2.966 4.105 470 HA THR 61 HA THR 61 3.256 -4.280 3.292 471 HB THR 61 HB THR 61 2.548 -2.028 2.533 472 HG1 THR 61 HG1 THR 61 4.864 -2.734 3.140 473 1HG2 THR 61 HG22 THR 61 1.412 -1.344 4.630 474 2HG2 THR 61 HG21 THR 61 2.981 -1.229 5.423 475 3HG2 THR 61 HG23 THR 61 2.580 -0.139 4.097 476 H ALA 62 HN ALA 62 1.908 -2.775 6.188 477 HA ALA 62 HA ALA 62 4.216 -2.919 7.851 478 1HB ALA 62 HB3 ALA 62 1.236 -2.837 8.192 479 2HB ALA 62 HB2 ALA 62 2.231 -3.166 9.610 480 3HB ALA 62 HB1 ALA 62 2.443 -1.662 8.713 481 H ASP 63 HN ASP 63 1.897 -5.283 6.724 482 HA ASP 63 HA ASP 63 2.865 -7.353 8.604 483 1HB ASP 63 HB2 ASP 63 0.482 -7.212 8.068 484 2HB ASP 63 HB1 ASP 63 0.836 -7.305 6.342 485 H ALA 64 HN ALA 64 3.478 -6.166 5.402 486 HA ALA 64 HA ALA 64 4.612 -8.618 4.316 487 1HB ALA 64 HB1 ALA 64 3.657 -6.461 3.175 488 2HB ALA 64 HB3 ALA 64 5.267 -5.800 3.460 489 3HB ALA 64 HB2 ALA 64 5.068 -7.236 2.456 490 H GLY 65 HN GLY 65 5.608 -6.189 6.522 491 1HA GLY 65 HA2 GLY 65 7.632 -6.682 7.872 492 2HA GLY 65 HA1 GLY 65 8.400 -7.223 6.383 493 H TYR 66 HN TYR 66 6.362 -4.402 6.409 494 HA TYR 66 HA TYR 66 8.778 -2.637 6.366 495 1HB TYR 66 HB2 TYR 66 6.503 -2.622 4.356 496 2HB TYR 66 HB1 TYR 66 7.975 -1.654 4.290 497 HD1 TYR 66 HD1 TYR 66 10.127 -3.394 4.890 498 HD2 TYR 66 HD2 TYR 66 6.543 -4.288 2.692 499 HE1 TYR 66 HE1 TYR 66 11.308 -5.224 3.705 500 HE2 TYR 66 HE2 TYR 66 7.723 -6.121 1.517 501 HH TYR 66 HH TYR 66 9.630 -7.540 1.770 502 HA PRO 67 HA PRO 67 5.687 -0.834 9.240 503 1HB PRO 67 HB2 PRO 67 7.823 1.014 9.894 504 2HB PRO 67 HB1 PRO 67 7.116 -0.247 10.910 505 1HG PRO 67 HG2 PRO 67 9.691 -0.252 9.653 506 2HG PRO 67 HG1 PRO 67 8.965 -1.525 10.639 507 1HD PRO 67 HD2 PRO 67 9.441 -1.564 7.804 508 2HD PRO 67 HD1 PRO 67 8.641 -2.816 8.786 509 H SER 68 HN SER 68 4.422 0.140 7.576 510 HA SER 68 HA SER 68 5.542 2.612 6.314 511 1HB SER 68 HB2 SER 68 4.428 1.919 4.455 512 2HB SER 68 HB1 SER 68 4.361 0.364 5.274 513 HG SER 68 HG SER 68 2.397 2.328 4.945 514 H SER 69 HN SER 69 3.274 3.872 5.558 515 HA SER 69 HA SER 69 1.422 4.250 7.810 516 1HB SER 69 HB2 SER 69 3.822 5.857 7.347 517 2HB SER 69 HB1 SER 69 2.362 6.841 7.295 518 HG SER 69 HG SER 69 2.863 4.941 9.333 519 H VAL 70 HN VAL 70 0.160 6.522 6.985 520 HA VAL 70 HA VAL 70 -0.240 6.140 4.049 521 HB VAL 70 HB VAL 70 -1.780 4.939 5.677 522 1HG1 VAL 70 HG11 VAL 70 -1.860 7.277 7.002 523 2HG1 VAL 70 HG13 VAL 70 -3.276 7.500 5.975 524 3HG1 VAL 70 HG12 VAL 70 -3.187 6.117 7.065 525 1HG2 VAL 70 HG21 VAL 70 -2.313 6.355 3.246 526 2HG2 VAL 70 HG23 VAL 70 -3.105 4.899 3.847 527 3HG2 VAL 70 HG22 VAL 70 -3.740 6.488 4.273 528 H LYS 71 HN LYS 71 -1.339 7.988 2.988 529 HA LYS 71 HA LYS 71 -1.270 10.532 4.568 530 1HB LYS 71 HB2 LYS 71 0.284 11.542 2.994 531 2HB LYS 71 HB1 LYS 71 0.990 10.041 3.597 532 1HG LYS 71 HG2 LYS 71 -0.394 9.097 1.462 533 2HG LYS 71 HG1 LYS 71 0.020 10.711 0.880 534 1HD LYS 71 HD2 LYS 71 2.302 9.554 2.196 535 2HD LYS 71 HD1 LYS 71 1.696 8.433 0.976 536 1HE LYS 71 HE2 LYS 71 3.049 9.759 -0.374 537 2HE LYS 71 HE1 LYS 71 1.553 10.711 -0.459 538 1HZ LYS 71 HZ1 LYS 71 2.309 11.905 1.552 539 2HZ LYS 71 HZ3 LYS 71 3.793 11.088 1.457 540 3HZ LYS 71 HZ2 LYS 71 3.330 12.153 0.217 541 H GLN 72 HN GLN 72 -3.642 9.503 3.719 542 HA GLN 72 HA GLN 72 -4.643 11.550 1.949 543 1HB GLN 72 HB2 GLN 72 -3.545 10.253 0.252 544 2HB GLN 72 HB1 GLN 72 -4.171 8.746 0.924 545 1HG GLN 72 HG2 GLN 72 -6.135 8.961 -0.146 546 2HG GLN 72 HG1 GLN 72 -6.289 10.650 0.334 547 1HE2 GLN 72 HE22 GLN 72 -3.836 10.284 -2.914 548 2HE2 GLN 72 HE21 GLN 72 -3.476 9.460 -1.475 No H/Q in entry = 548 Start of MODEL 12 1 1H ALA 1 HT2 ALA 1 18.455 1.772 1.436 2 2H ALA 1 HT1 ALA 1 18.757 2.166 -0.188 3 3H ALA 1 HT3 ALA 1 17.700 3.121 0.733 4 HA ALA 1 HA ALA 1 16.474 1.650 -0.785 5 1HB ALA 1 HB3 ALA 1 18.423 -0.165 0.491 6 2HB ALA 1 HB2 ALA 1 16.804 -0.840 0.309 7 3HB ALA 1 HB1 ALA 1 17.682 -0.259 -1.106 8 H THR 2 HN THR 2 15.552 3.212 1.122 9 HA THR 2 HA THR 2 13.660 1.578 2.647 10 HB THR 2 HB THR 2 14.509 3.438 4.484 11 HG1 THR 2 HG1 THR 2 16.495 3.920 4.091 12 1HG2 THR 2 HG22 THR 2 14.091 0.862 4.582 13 2HG2 THR 2 HG21 THR 2 15.833 0.750 4.330 14 3HG2 THR 2 HG23 THR 2 15.199 1.591 5.745 15 H GLN 3 HN GLN 3 12.172 2.664 1.136 16 HA GLN 3 HA GLN 3 11.840 5.589 1.725 17 1HB GLN 3 HB2 GLN 3 10.830 4.705 -0.873 18 2HB GLN 3 HB1 GLN 3 11.925 6.029 -0.495 19 1HG GLN 3 HG2 GLN 3 13.709 4.163 -0.158 20 2HG GLN 3 HG1 GLN 3 12.586 3.142 -1.056 21 1HE2 GLN 3 HE22 GLN 3 14.050 6.429 -3.063 22 2HE2 GLN 3 HE21 GLN 3 13.672 6.576 -1.415 23 H THR 4 HN THR 4 9.698 6.394 1.714 24 HA THR 4 HA THR 4 7.555 4.321 1.960 25 HB THR 4 HB THR 4 7.492 5.195 4.065 26 HG1 THR 4 HG1 THR 4 6.293 7.211 4.126 27 1HG2 THR 4 HG21 THR 4 8.918 7.607 2.957 28 2HG2 THR 4 HG23 THR 4 8.431 7.454 4.645 29 3HG2 THR 4 HG22 THR 4 9.601 6.326 3.959 30 H VAL 5 HN VAL 5 5.468 4.951 1.135 31 HA VAL 5 HA VAL 5 5.348 7.445 -0.507 32 HB VAL 5 HB VAL 5 4.687 6.142 -2.465 33 1HG1 VAL 5 HG13 VAL 5 7.197 6.409 -1.648 34 2HG1 VAL 5 HG12 VAL 5 7.098 4.656 -1.489 35 3HG1 VAL 5 HG11 VAL 5 6.811 5.417 -3.054 36 1HG2 VAL 5 HG23 VAL 5 3.668 4.306 -0.945 37 2HG2 VAL 5 HG22 VAL 5 4.434 3.792 -2.448 38 3HG2 VAL 5 HG21 VAL 5 5.295 3.624 -0.917 39 H THR 6 HN THR 6 3.048 7.661 -1.357 40 HA THR 6 HA THR 6 1.144 6.655 0.709 41 HB THR 6 HB THR 6 1.794 9.224 -0.364 42 HG1 THR 6 HG1 THR 6 0.947 9.626 1.483 43 1HG2 THR 6 HG23 THR 6 0.106 8.518 -2.174 44 2HG2 THR 6 HG22 THR 6 -1.113 8.613 -0.904 45 3HG2 THR 6 HG21 THR 6 -0.195 10.050 -1.354 46 H LEU 7 HN LEU 7 -0.982 5.923 -0.181 47 HA LEU 7 HA LEU 7 -0.793 5.294 -3.104 48 1HB LEU 7 HB2 LEU 7 -0.678 3.513 -0.838 49 2HB LEU 7 HB1 LEU 7 -2.098 3.139 -1.807 50 HG LEU 7 HG LEU 7 -0.750 2.940 -3.797 51 1HD1 LEU 7 HD13 LEU 7 1.367 4.083 -2.020 52 2HD1 LEU 7 HD12 LEU 7 1.821 3.077 -3.396 53 3HD1 LEU 7 HD11 LEU 7 0.899 4.554 -3.649 54 1HD2 LEU 7 HD23 LEU 7 0.030 1.427 -1.349 55 2HD2 LEU 7 HD22 LEU 7 -0.608 0.824 -2.879 56 3HD2 LEU 7 HD21 LEU 7 1.095 1.261 -2.745 57 H ALA 8 HN ALA 8 -2.735 5.182 -4.199 58 HA ALA 8 HA ALA 8 -5.158 6.142 -2.700 59 1HB ALA 8 HB1 ALA 8 -3.996 7.666 -4.395 60 2HB ALA 8 HB3 ALA 8 -4.489 6.511 -5.634 61 3HB ALA 8 HB2 ALA 8 -5.709 7.372 -4.697 62 H VAL 9 HN VAL 9 -6.507 4.368 -2.470 63 HA VAL 9 HA VAL 9 -6.590 2.387 -4.716 64 HB VAL 9 HB VAL 9 -7.383 2.224 -1.793 65 1HG1 VAL 9 HG13 VAL 9 -8.134 0.602 -4.004 66 2HG1 VAL 9 HG12 VAL 9 -6.955 -0.314 -3.066 67 3HG1 VAL 9 HG11 VAL 9 -8.418 0.293 -2.291 68 1HG2 VAL 9 HG21 VAL 9 -4.891 2.416 -2.505 69 2HG2 VAL 9 HG23 VAL 9 -5.344 1.093 -1.430 70 3HG2 VAL 9 HG22 VAL 9 -5.103 0.789 -3.150 71 HA PRO 10 HA PRO 10 -10.668 4.741 -4.864 72 1HB PRO 10 HB2 PRO 10 -10.575 4.300 -7.697 73 2HB PRO 10 HB1 PRO 10 -10.403 5.833 -6.835 74 1HG PRO 10 HG2 PRO 10 -8.355 4.269 -8.163 75 2HG PRO 10 HG1 PRO 10 -8.223 5.878 -7.447 76 1HD PRO 10 HD2 PRO 10 -7.103 3.467 -6.431 77 2HD PRO 10 HD1 PRO 10 -7.167 5.043 -5.609 78 H GLY 11 HN GLY 11 -9.354 1.692 -5.778 79 1HA GLY 11 HA2 GLY 11 -11.892 0.530 -6.672 80 2HA GLY 11 HA1 GLY 11 -10.377 -0.343 -6.434 81 H MET 12 HN MET 12 -11.266 1.658 -3.798 82 HA MET 12 HA MET 12 -11.939 -0.754 -2.213 83 1HB MET 12 HB2 MET 12 -11.483 0.747 -0.289 84 2HB MET 12 HB1 MET 12 -10.137 0.725 -1.422 85 1HG MET 12 HG2 MET 12 -10.408 3.005 -0.951 86 2HG MET 12 HG1 MET 12 -11.272 2.822 -2.471 87 1HE MET 12 HE2 MET 12 -10.985 3.356 0.945 88 2HE MET 12 HE1 MET 12 -12.141 4.676 1.108 89 3HE MET 12 HE3 MET 12 -12.529 3.072 1.742 90 H THR 13 HN THR 13 -13.469 0.448 -0.189 91 HA THR 13 HA THR 13 -15.609 2.090 -1.136 92 HB THR 13 HB THR 13 -16.063 0.339 -2.688 93 HG1 THR 13 HG1 THR 13 -18.010 0.802 -1.964 94 1HG2 THR 13 HG22 THR 13 -15.622 -1.465 -0.312 95 2HG2 THR 13 HG21 THR 13 -16.432 -2.031 -1.772 96 3HG2 THR 13 HG23 THR 13 -14.766 -1.459 -1.854 97 H CYS 14 HN CYS 14 -14.489 -0.375 1.152 98 HA CYS 14 HA CYS 14 -15.996 1.001 3.279 99 1HB CYS 14 HB2 CYS 14 -17.502 -0.743 3.733 100 2HB CYS 14 HB1 CYS 14 -17.447 -0.749 1.974 101 H ALA 15 HN ALA 15 -15.816 -1.254 5.100 102 HA ALA 15 HA ALA 15 -12.959 -1.046 5.780 103 1HB ALA 15 HB3 ALA 15 -15.414 -1.307 7.112 104 2HB ALA 15 HB2 ALA 15 -14.596 -2.846 7.382 105 3HB ALA 15 HB1 ALA 15 -13.816 -1.338 7.858 106 H ALA 16 HN ALA 16 -13.400 -2.498 3.344 107 HA ALA 16 HA ALA 16 -12.350 -5.159 4.170 108 1HB ALA 16 HB2 ALA 16 -14.964 -4.888 3.663 109 2HB ALA 16 HB1 ALA 16 -14.401 -5.046 1.999 110 3HB ALA 16 HB3 ALA 16 -14.076 -6.328 3.165 111 H CYS 17 HN CYS 17 -12.958 -2.837 1.519 112 HA CYS 17 HA CYS 17 -11.019 -4.258 -0.193 113 1HB CYS 17 HB2 CYS 17 -12.482 -1.662 -0.723 114 2HB CYS 17 HB1 CYS 17 -11.823 -2.784 -1.906 115 HA PRO 18 HA PRO 18 -8.610 -0.193 0.501 116 1HB PRO 18 HB2 PRO 18 -9.446 1.308 2.685 117 2HB PRO 18 HB1 PRO 18 -9.900 1.629 1.012 118 1HG PRO 18 HG2 PRO 18 -11.544 0.552 3.193 119 2HG PRO 18 HG1 PRO 18 -12.052 1.263 1.658 120 1HD PRO 18 HD2 PRO 18 -12.023 -1.511 2.361 121 2HD PRO 18 HD1 PRO 18 -12.395 -0.809 0.770 122 H ILE 19 HN ILE 19 -10.072 -1.430 3.501 123 HA ILE 19 HA ILE 19 -7.817 -1.472 5.216 124 HB ILE 19 HB ILE 19 -10.405 -2.104 5.337 125 1HG1 ILE 19 HG12 ILE 19 -8.221 -3.281 7.073 126 2HG1 ILE 19 HG11 ILE 19 -9.062 -1.754 7.323 127 1HG2 ILE 19 HG22 ILE 19 -9.051 -4.800 5.131 128 2HG2 ILE 19 HG21 ILE 19 -10.720 -4.535 5.638 129 3HG2 ILE 19 HG23 ILE 19 -10.225 -4.140 3.992 130 1HD1 ILE 19 HD11 ILE 19 -11.199 -3.007 7.589 131 2HD1 ILE 19 HD13 ILE 19 -10.298 -4.517 7.447 132 3HD1 ILE 19 HD12 ILE 19 -10.004 -3.441 8.813 133 H THR 20 HN THR 20 -8.879 -3.778 2.737 134 HA THR 20 HA THR 20 -7.003 -5.877 3.255 135 HB THR 20 HB THR 20 -8.505 -4.905 0.799 136 HG1 THR 20 HG1 THR 20 -8.832 -6.810 2.817 137 1HG2 THR 20 HG22 THR 20 -6.644 -7.271 1.119 138 2HG2 THR 20 HG21 THR 20 -7.873 -7.185 -0.144 139 3HG2 THR 20 HG23 THR 20 -6.574 -5.993 -0.095 140 H VAL 21 HN VAL 21 -6.772 -2.788 1.737 141 HA VAL 21 HA VAL 21 -4.394 -3.262 0.196 142 HB VAL 21 HB VAL 21 -5.441 -0.693 1.426 143 1HG1 VAL 21 HG11 VAL 21 -3.147 -1.263 -0.128 144 2HG1 VAL 21 HG13 VAL 21 -4.291 -0.461 -1.205 145 3HG1 VAL 21 HG12 VAL 21 -3.790 0.325 0.292 146 1HG2 VAL 21 HG23 VAL 21 -6.256 -2.257 -1.018 147 2HG2 VAL 21 HG22 VAL 21 -7.282 -1.521 0.214 148 3HG2 VAL 21 HG21 VAL 21 -6.457 -0.506 -0.969 149 H LYS 22 HN LYS 22 -5.112 -2.377 3.505 150 HA LYS 22 HA LYS 22 -2.465 -1.590 4.292 151 1HB LYS 22 HB2 LYS 22 -4.433 -1.018 5.603 152 2HB LYS 22 HB1 LYS 22 -4.869 -2.714 5.767 153 1HG LYS 22 HG2 LYS 22 -3.525 -2.951 7.554 154 2HG LYS 22 HG1 LYS 22 -2.155 -2.276 6.674 155 1HD LYS 22 HD2 LYS 22 -2.992 0.011 7.152 156 2HD LYS 22 HD1 LYS 22 -4.323 -0.685 8.078 157 1HE LYS 22 HE2 LYS 22 -2.234 -1.952 9.265 158 2HE LYS 22 HE1 LYS 22 -1.458 -0.421 8.814 159 1HZ LYS 22 HZ3 LYS 22 -3.311 0.775 9.797 160 2HZ LYS 22 HZ2 LYS 22 -4.057 -0.687 10.233 161 3HZ LYS 22 HZ1 LYS 22 -2.587 -0.232 10.953 162 H LYS 23 HN LYS 23 -4.302 -4.614 4.332 163 HA LYS 23 HA LYS 23 -2.262 -6.188 5.575 164 1HB LYS 23 HB2 LYS 23 -4.689 -6.741 5.415 165 2HB LYS 23 HB1 LYS 23 -4.488 -6.979 3.679 166 1HG LYS 23 HG2 LYS 23 -2.660 -8.469 5.516 167 2HG LYS 23 HG1 LYS 23 -4.328 -9.027 5.375 168 1HD LYS 23 HD2 LYS 23 -3.887 -8.787 2.791 169 2HD LYS 23 HD1 LYS 23 -2.192 -8.898 3.268 170 1HE LYS 23 HE2 LYS 23 -3.627 -10.923 4.697 171 2HE LYS 23 HE1 LYS 23 -4.062 -11.042 2.981 172 1HZ LYS 23 HZ2 LYS 23 -1.561 -10.641 2.606 173 2HZ LYS 23 HZ1 LYS 23 -1.386 -11.143 4.219 174 3HZ LYS 23 HZ3 LYS 23 -2.069 -12.193 3.075 175 H ALA 24 HN ALA 24 -2.807 -5.080 2.358 176 HA ALA 24 HA ALA 24 -1.186 -6.975 0.948 177 1HB ALA 24 HB3 ALA 24 -3.013 -5.274 0.182 178 2HB ALA 24 HB2 ALA 24 -1.672 -4.130 0.102 179 3HB ALA 24 HB1 ALA 24 -1.649 -5.587 -0.892 180 H LEU 25 HN LEU 25 -0.530 -3.568 1.889 181 HA LEU 25 HA LEU 25 2.203 -3.523 1.085 182 1HB LEU 25 HB2 LEU 25 1.008 -2.077 3.459 183 2HB LEU 25 HB1 LEU 25 2.304 -1.521 2.403 184 HG LEU 25 HG LEU 25 -0.015 -2.130 0.815 185 1HD1 LEU 25 HD12 LEU 25 -1.020 -1.639 3.158 186 2HD1 LEU 25 HD11 LEU 25 -0.524 0.026 2.857 187 3HD1 LEU 25 HD13 LEU 25 -1.674 -0.761 1.775 188 1HD2 LEU 25 HD22 LEU 25 2.070 -0.264 0.949 189 2HD2 LEU 25 HD21 LEU 25 0.780 -0.299 -0.253 190 3HD2 LEU 25 HD23 LEU 25 0.609 0.693 1.195 191 H SER 26 HN SER 26 0.665 -4.568 4.090 192 HA SER 26 HA SER 26 3.131 -4.957 5.563 193 1HB SER 26 HB2 SER 26 0.380 -4.922 6.039 194 2HB SER 26 HB1 SER 26 0.834 -6.598 6.332 195 HG SER 26 HG SER 26 2.371 -5.885 7.798 196 H LYS 27 HN LYS 27 1.319 -6.799 3.223 197 HA LYS 27 HA LYS 27 2.859 -9.244 3.872 198 1HB LYS 27 HB2 LYS 27 0.685 -9.932 3.593 199 2HB LYS 27 HB1 LYS 27 0.281 -8.537 2.602 200 1HG LYS 27 HG2 LYS 27 2.049 -10.723 1.529 201 2HG LYS 27 HG1 LYS 27 0.291 -10.860 1.463 202 1HD LYS 27 HD2 LYS 27 1.105 -8.230 0.591 203 2HD LYS 27 HD1 LYS 27 1.959 -9.462 -0.339 204 1HE LYS 27 HE2 LYS 27 -0.388 -10.594 -0.560 205 2HE LYS 27 HE1 LYS 27 -1.011 -8.991 -0.121 206 1HZ LYS 27 HZ2 LYS 27 1.160 -9.019 -2.049 207 2HZ LYS 27 HZ1 LYS 27 -0.314 -9.654 -2.609 208 3HZ LYS 27 HZ3 LYS 27 -0.249 -8.069 -2.012 209 H VAL 28 HN VAL 28 3.077 -6.554 1.893 210 HA VAL 28 HA VAL 28 3.812 -7.386 -0.656 211 HB VAL 28 HB VAL 28 4.737 -5.269 1.264 212 1HG1 VAL 28 HG12 VAL 28 6.185 -6.174 -1.154 213 2HG1 VAL 28 HG11 VAL 28 5.868 -4.440 -1.080 214 3HG1 VAL 28 HG13 VAL 28 6.764 -5.228 0.218 215 1HG2 VAL 28 HG22 VAL 28 2.569 -5.297 -0.169 216 2HG2 VAL 28 HG21 VAL 28 3.541 -3.825 -0.167 217 3HG2 VAL 28 HG23 VAL 28 3.639 -4.945 -1.525 218 H GLU 29 HN GLU 29 6.462 -6.588 1.553 219 HA GLU 29 HA GLU 29 7.684 -9.097 1.878 220 1HB GLU 29 HB2 GLU 29 7.920 -9.559 -0.370 221 2HB GLU 29 HB1 GLU 29 7.878 -7.856 -0.826 222 1HG GLU 29 HG2 GLU 29 10.157 -7.540 -0.293 223 2HG GLU 29 HG1 GLU 29 10.233 -9.031 0.645 224 H GLY 30 HN GLY 30 8.458 -5.772 0.788 225 1HA GLY 30 HA2 GLY 30 10.682 -5.734 2.760 226 2HA GLY 30 HA1 GLY 30 10.553 -4.644 1.385 227 H VAL 31 HN VAL 31 7.569 -4.393 2.097 228 HA VAL 31 HA VAL 31 7.491 -1.924 3.325 229 HB VAL 31 HB VAL 31 5.634 -4.300 3.657 230 1HG1 VAL 31 HG12 VAL 31 5.241 -2.593 5.405 231 2HG1 VAL 31 HG11 VAL 31 5.132 -1.348 4.160 232 3HG1 VAL 31 HG13 VAL 31 3.917 -2.624 4.240 233 1HG2 VAL 31 HG23 VAL 31 5.856 -2.012 1.693 234 2HG2 VAL 31 HG22 VAL 31 5.795 -3.740 1.350 235 3HG2 VAL 31 HG21 VAL 31 4.348 -2.900 1.908 236 H SER 32 HN SER 32 8.119 -1.176 5.263 237 HA SER 32 HA SER 32 8.511 -3.123 7.499 238 1HB SER 32 HB2 SER 32 9.979 -0.754 6.432 239 2HB SER 32 HB1 SER 32 9.984 -0.962 8.181 240 HG SER 32 HG SER 32 10.571 -3.079 6.398 241 H LYS 33 HN LYS 33 6.667 -0.566 6.311 242 HA LYS 33 HA LYS 33 5.391 -0.198 8.965 243 1HB LYS 33 HB2 LYS 33 7.309 1.530 8.056 244 2HB LYS 33 HB1 LYS 33 5.836 2.280 7.435 245 1HG LYS 33 HG2 LYS 33 5.075 2.802 9.495 246 2HG LYS 33 HG1 LYS 33 5.643 1.285 10.192 247 1HD LYS 33 HD2 LYS 33 8.019 2.286 9.907 248 2HD LYS 33 HD1 LYS 33 7.191 3.833 9.729 249 1HE LYS 33 HE2 LYS 33 6.070 2.447 11.990 250 2HE LYS 33 HE1 LYS 33 7.836 2.506 12.158 251 1HZ LYS 33 HZ3 LYS 33 7.733 4.874 11.536 252 2HZ LYS 33 HZ2 LYS 33 6.036 4.792 11.545 253 3HZ LYS 33 HZ1 LYS 33 6.909 4.551 12.983 254 H VAL 34 HN VAL 34 3.237 0.682 8.757 255 HA VAL 34 HA VAL 34 2.132 1.054 6.042 256 HB VAL 34 HB VAL 34 2.159 -1.358 6.339 257 1HG1 VAL 34 HG13 VAL 34 1.510 -0.606 9.069 258 2HG1 VAL 34 HG12 VAL 34 0.394 -1.832 8.467 259 3HG1 VAL 34 HG11 VAL 34 2.131 -2.138 8.453 260 1HG2 VAL 34 HG21 VAL 34 -0.551 -0.064 6.736 261 2HG2 VAL 34 HG23 VAL 34 0.184 -0.580 5.218 262 3HG2 VAL 34 HG22 VAL 34 -0.358 -1.782 6.390 263 H ASP 35 HN ASP 35 0.590 2.593 6.149 264 HA ASP 35 HA ASP 35 -1.192 2.825 8.503 265 1HB ASP 35 HB2 ASP 35 1.097 4.564 7.855 266 2HB ASP 35 HB1 ASP 35 -0.414 5.453 8.051 267 H VAL 36 HN VAL 36 -2.813 2.226 6.922 268 HA VAL 36 HA VAL 36 -3.173 4.142 4.659 269 HB VAL 36 HB VAL 36 -4.230 2.336 3.547 270 1HG1 VAL 36 HG12 VAL 36 -2.127 1.116 5.361 271 2HG1 VAL 36 HG11 VAL 36 -2.689 0.426 3.839 272 3HG1 VAL 36 HG13 VAL 36 -1.813 1.957 3.843 273 1HG2 VAL 36 HG21 VAL 36 -5.728 1.778 5.518 274 2HG2 VAL 36 HG23 VAL 36 -5.126 0.383 4.629 275 3HG2 VAL 36 HG22 VAL 36 -4.395 0.828 6.171 276 H GLY 37 HN GLY 37 -5.833 3.550 4.141 277 1HA GLY 37 HA2 GLY 37 -7.370 4.269 6.562 278 2HA GLY 37 HA1 GLY 37 -7.437 5.381 5.190 279 H PHE 38 HN PHE 38 -8.807 2.614 6.541 280 HA PHE 38 HA PHE 38 -9.583 0.983 4.419 281 1HB PHE 38 HB2 PHE 38 -11.243 1.849 6.806 282 2HB PHE 38 HB1 PHE 38 -11.367 0.321 5.938 283 HD1 PHE 38 HD2 PHE 38 -8.047 0.646 5.711 284 HD2 PHE 38 HD1 PHE 38 -10.991 0.244 8.816 285 HE1 PHE 38 HE2 PHE 38 -6.327 -0.314 7.219 286 HE2 PHE 38 HE1 PHE 38 -9.272 -0.716 10.320 287 HZ PHE 38 HZ PHE 38 -6.941 -0.994 9.524 288 H GLU 39 HN GLU 39 -12.362 2.617 5.694 289 HA GLU 39 HA GLU 39 -13.623 3.076 3.229 290 1HB GLU 39 HB2 GLU 39 -13.829 4.127 6.021 291 2HB GLU 39 HB1 GLU 39 -14.792 4.908 4.766 292 1HG GLU 39 HG2 GLU 39 -14.892 1.993 4.586 293 2HG GLU 39 HG1 GLU 39 -15.487 2.591 6.135 294 H LYS 40 HN LYS 40 -10.949 4.837 4.539 295 HA LYS 40 HA LYS 40 -11.575 7.399 3.258 296 1HB LYS 40 HB2 LYS 40 -9.187 6.176 4.656 297 2HB LYS 40 HB1 LYS 40 -9.148 7.808 3.988 298 1HG LYS 40 HG2 LYS 40 -10.087 8.531 5.903 299 2HG LYS 40 HG1 LYS 40 -11.552 7.666 5.438 300 1HD LYS 40 HD2 LYS 40 -10.317 5.577 6.428 301 2HD LYS 40 HD1 LYS 40 -9.336 6.779 7.266 302 1HE LYS 40 HE2 LYS 40 -11.611 7.836 7.973 303 2HE LYS 40 HE1 LYS 40 -12.298 6.260 7.529 304 1HZ LYS 40 HZ2 LYS 40 -10.102 5.526 8.869 305 2HZ LYS 40 HZ1 LYS 40 -10.514 6.943 9.712 306 3HZ LYS 40 HZ3 LYS 40 -11.634 5.676 9.586 307 H ARG 41 HN ARG 41 -9.874 4.482 2.383 308 HA ARG 41 HA ARG 41 -8.964 3.780 0.325 309 1HB ARG 41 HB2 ARG 41 -10.982 5.104 -0.473 310 2HB ARG 41 HB1 ARG 41 -9.890 6.466 -0.694 311 1HG ARG 41 HG2 ARG 41 -8.855 3.990 -1.860 312 2HG ARG 41 HG1 ARG 41 -10.393 4.477 -2.567 313 1HD ARG 41 HD2 ARG 41 -7.806 6.056 -2.481 314 2HD ARG 41 HD1 ARG 41 -8.756 5.582 -3.898 315 HE ARG 41 HE ARG 41 -10.530 7.066 -2.351 316 1HH1 ARG 41 HH21 ARG 41 -7.388 7.524 -3.708 317 2HH1 ARG 41 HH22 ARG 41 -7.586 9.231 -3.919 318 1HH2 ARG 41 HH11 ARG 41 -10.800 9.292 -2.621 319 2HH2 ARG 41 HH12 ARG 41 -9.516 10.231 -3.305 320 H GLU 42 HN GLU 42 -7.018 4.459 1.910 321 HA GLU 42 HA GLU 42 -5.113 5.879 0.161 322 1HB GLU 42 HB2 GLU 42 -6.434 7.644 1.384 323 2HB GLU 42 HB1 GLU 42 -5.792 7.002 2.896 324 1HG GLU 42 HG2 GLU 42 -3.832 8.076 2.604 325 2HG GLU 42 HG1 GLU 42 -3.665 7.440 0.967 326 H ALA 43 HN ALA 43 -3.383 4.446 0.311 327 HA ALA 43 HA ALA 43 -2.735 3.360 3.023 328 1HB ALA 43 HB1 ALA 43 -2.531 2.356 0.205 329 2HB ALA 43 HB3 ALA 43 -1.443 1.701 1.428 330 3HB ALA 43 HB2 ALA 43 -3.188 1.545 1.626 331 H VAL 44 HN VAL 44 -1.064 4.496 3.934 332 HA VAL 44 HA VAL 44 1.130 5.430 2.116 333 HB VAL 44 HB VAL 44 0.133 6.424 4.796 334 1HG1 VAL 44 HG13 VAL 44 2.613 6.697 4.372 335 2HG1 VAL 44 HG12 VAL 44 2.194 7.682 2.970 336 3HG1 VAL 44 HG11 VAL 44 1.737 8.211 4.589 337 1HG2 VAL 44 HG23 VAL 44 -0.378 7.163 1.962 338 2HG2 VAL 44 HG22 VAL 44 -1.448 7.263 3.361 339 3HG2 VAL 44 HG21 VAL 44 -0.204 8.488 3.113 340 H VAL 45 HN VAL 45 2.985 4.222 2.358 341 HA VAL 45 HA VAL 45 3.500 3.096 5.100 342 HB VAL 45 HB VAL 45 4.105 0.977 4.029 343 1HG1 VAL 45 HG13 VAL 45 1.557 1.973 4.390 344 2HG1 VAL 45 HG12 VAL 45 1.507 1.369 2.733 345 3HG1 VAL 45 HG11 VAL 45 1.952 0.288 4.053 346 1HG2 VAL 45 HG23 VAL 45 3.323 2.427 1.489 347 2HG2 VAL 45 HG22 VAL 45 4.910 1.770 1.891 348 3HG2 VAL 45 HG21 VAL 45 3.554 0.682 1.596 349 H THR 46 HN THR 46 5.670 1.916 5.046 350 HA THR 46 HA THR 46 7.809 3.509 3.653 351 HB THR 46 HB THR 46 7.407 2.643 6.528 352 HG1 THR 46 HG1 THR 46 7.358 4.706 6.821 353 1HG2 THR 46 HG23 THR 46 9.974 2.952 5.020 354 2HG2 THR 46 HG22 THR 46 9.907 3.466 6.706 355 3HG2 THR 46 HG21 THR 46 9.550 1.793 6.279 356 H PHE 47 HN PHE 47 9.755 2.085 3.288 357 HA PHE 47 HA PHE 47 9.589 -0.729 3.974 358 1HB PHE 47 HB2 PHE 47 9.037 -1.564 1.751 359 2HB PHE 47 HB1 PHE 47 7.777 -0.444 2.271 360 HD1 PHE 47 HD2 PHE 47 10.867 -0.724 0.173 361 HD2 PHE 47 HD1 PHE 47 7.340 1.562 1.103 362 HE1 PHE 47 HE2 PHE 47 11.262 0.698 -1.808 363 HE2 PHE 47 HE1 PHE 47 7.741 2.981 -0.888 364 HZ PHE 47 HZ PHE 47 9.693 2.546 -2.342 365 H ASP 48 HN ASP 48 11.155 -1.988 2.457 366 HA ASP 48 HA ASP 48 13.584 -0.295 2.101 367 1HB ASP 48 HB2 ASP 48 13.215 -3.290 2.486 368 2HB ASP 48 HB1 ASP 48 14.768 -2.456 2.413 369 H ASP 49 HN ASP 49 13.925 0.188 -0.033 370 HA ASP 49 HA ASP 49 12.461 -1.015 -2.155 371 1HB ASP 49 HB2 ASP 49 13.343 0.766 -3.239 372 2HB ASP 49 HB1 ASP 49 14.137 1.168 -1.721 373 H THR 50 HN THR 50 15.083 -2.294 -0.428 374 HA THR 50 HA THR 50 16.428 -3.708 -2.580 375 HB THR 50 HB THR 50 17.520 -3.176 -0.469 376 HG1 THR 50 HG1 THR 50 17.865 -5.536 0.201 377 1HG2 THR 50 HG22 THR 50 15.058 -4.386 0.615 378 2HG2 THR 50 HG21 THR 50 16.537 -4.838 1.462 379 3HG2 THR 50 HG23 THR 50 16.098 -3.138 1.300 380 H LYS 51 HN LYS 51 13.616 -4.375 -0.564 381 HA LYS 51 HA LYS 51 13.402 -7.071 -1.862 382 1HB LYS 51 HB2 LYS 51 13.121 -6.077 0.907 383 2HB LYS 51 HB1 LYS 51 11.865 -7.207 0.399 384 1HG LYS 51 HG2 LYS 51 14.205 -8.350 -0.581 385 2HG LYS 51 HG1 LYS 51 14.679 -7.715 0.995 386 1HD LYS 51 HD2 LYS 51 12.219 -9.424 0.537 387 2HD LYS 51 HD1 LYS 51 13.772 -10.060 1.083 388 1HE LYS 51 HE2 LYS 51 12.487 -7.763 2.558 389 2HE LYS 51 HE1 LYS 51 12.006 -9.436 2.903 390 1HZ LYS 51 HZ3 LYS 51 14.861 -8.779 2.678 391 2HZ LYS 51 HZ2 LYS 51 14.047 -8.403 4.121 392 3HZ LYS 51 HZ1 LYS 51 14.110 -10.011 3.571 393 H ALA 52 HN ALA 52 11.989 -4.009 -1.450 394 HA ALA 52 HA ALA 52 9.573 -4.858 -2.961 395 1HB ALA 52 HB3 ALA 52 9.585 -4.546 -0.190 396 2HB ALA 52 HB2 ALA 52 8.953 -3.009 -0.780 397 3HB ALA 52 HB1 ALA 52 8.156 -4.519 -1.221 398 H SER 53 HN SER 53 8.225 -2.449 -2.907 399 HA SER 53 HA SER 53 9.864 -0.117 -3.189 400 1HB SER 53 HB2 SER 53 10.034 -2.081 -5.267 401 2HB SER 53 HB1 SER 53 9.257 -0.644 -5.924 402 HG SER 53 HG SER 53 11.838 -1.049 -5.195 403 H VAL 54 HN VAL 54 8.657 1.686 -4.092 404 HA VAL 54 HA VAL 54 6.003 1.988 -3.407 405 HB VAL 54 HB VAL 54 7.569 3.747 -4.183 406 1HG1 VAL 54 HG12 VAL 54 8.338 2.222 -6.143 407 2HG1 VAL 54 HG11 VAL 54 6.955 2.893 -7.007 408 3HG1 VAL 54 HG13 VAL 54 8.236 3.959 -6.432 409 1HG2 VAL 54 HG21 VAL 54 4.920 3.798 -4.402 410 2HG2 VAL 54 HG23 VAL 54 5.908 5.124 -5.011 411 3HG2 VAL 54 HG22 VAL 54 5.298 3.896 -6.121 412 H GLN 55 HN GLN 55 7.283 0.628 -6.426 413 HA GLN 55 HA GLN 55 4.776 0.371 -7.801 414 1HB GLN 55 HB2 GLN 55 7.375 0.079 -8.422 415 2HB GLN 55 HB1 GLN 55 6.979 -1.618 -8.152 416 1HG GLN 55 HG2 GLN 55 6.101 -1.682 -10.222 417 2HG GLN 55 HG1 GLN 55 4.848 -0.568 -9.674 418 1HE2 GLN 55 HE22 GLN 55 8.152 1.077 -11.511 419 2HE2 GLN 55 HE21 GLN 55 8.345 -0.320 -10.566 420 H LYS 56 HN LYS 56 6.621 -1.866 -5.715 421 HA LYS 56 HA LYS 56 4.770 -4.052 -5.898 422 1HB LYS 56 HB2 LYS 56 6.842 -3.231 -3.848 423 2HB LYS 56 HB1 LYS 56 6.054 -4.809 -3.872 424 1HG LYS 56 HG2 LYS 56 6.845 -4.893 -6.359 425 2HG LYS 56 HG1 LYS 56 7.975 -3.630 -5.867 426 1HD LYS 56 HD2 LYS 56 9.324 -5.233 -5.050 427 2HD LYS 56 HD1 LYS 56 8.087 -5.593 -3.844 428 1HE LYS 56 HE2 LYS 56 6.977 -7.100 -5.549 429 2HE LYS 56 HE1 LYS 56 8.403 -6.867 -6.580 430 1HZ LYS 56 HZ3 LYS 56 8.485 -7.796 -3.758 431 2HZ LYS 56 HZ2 LYS 56 8.628 -8.811 -5.113 432 3HZ LYS 56 HZ1 LYS 56 9.812 -7.634 -4.803 433 H LEU 57 HN LEU 57 4.731 -1.094 -3.982 434 HA LEU 57 HA LEU 57 2.924 -2.128 -1.933 435 1HB LEU 57 HB2 LEU 57 3.373 0.725 -2.863 436 2HB LEU 57 HB1 LEU 57 2.813 0.202 -1.276 437 HG LEU 57 HG LEU 57 5.520 -0.569 -2.398 438 1HD1 LEU 57 HD13 LEU 57 4.840 1.982 -1.899 439 2HD1 LEU 57 HD12 LEU 57 5.258 1.477 -0.262 440 3HD1 LEU 57 HD11 LEU 57 6.446 1.343 -1.559 441 1HD2 LEU 57 HD21 LEU 57 4.269 -1.804 -0.433 442 2HD2 LEU 57 HD23 LEU 57 5.978 -1.402 -0.270 443 3HD2 LEU 57 HD22 LEU 57 4.758 -0.389 0.499 444 H THR 58 HN THR 58 2.462 0.169 -4.634 445 HA THR 58 HA THR 58 -0.401 0.110 -4.605 446 HB THR 58 HB THR 58 1.234 0.520 -7.093 447 HG1 THR 58 HG1 THR 58 2.365 2.042 -6.217 448 1HG2 THR 58 HG22 THR 58 -1.121 1.873 -5.769 449 2HG2 THR 58 HG21 THR 58 -0.281 2.575 -7.153 450 3HG2 THR 58 HG23 THR 58 -1.089 1.015 -7.309 451 H LYS 59 HN LYS 59 2.045 -2.052 -5.788 452 HA LYS 59 HA LYS 59 0.311 -3.480 -7.667 453 1HB LYS 59 HB2 LYS 59 2.720 -3.371 -8.016 454 2HB LYS 59 HB1 LYS 59 3.014 -4.029 -6.407 455 1HG LYS 59 HG2 LYS 59 2.311 -6.175 -7.004 456 2HG LYS 59 HG1 LYS 59 1.347 -5.587 -8.359 457 1HD LYS 59 HD2 LYS 59 4.235 -4.992 -8.552 458 2HD LYS 59 HD1 LYS 59 3.828 -6.707 -8.620 459 1HE LYS 59 HE2 LYS 59 2.110 -6.148 -10.395 460 2HE LYS 59 HE1 LYS 59 2.777 -4.503 -10.425 461 1HZ LYS 59 HZ2 LYS 59 5.011 -5.926 -10.494 462 2HZ LYS 59 HZ1 LYS 59 3.981 -7.007 -11.304 463 3HZ LYS 59 HZ3 LYS 59 4.196 -5.433 -11.902 464 H ALA 60 HN ALA 60 1.224 -3.648 -4.269 465 HA ALA 60 HA ALA 60 0.315 -6.349 -3.787 466 1HB ALA 60 HB1 ALA 60 1.728 -4.507 -2.417 467 2HB ALA 60 HB3 ALA 60 0.147 -4.231 -1.686 468 3HB ALA 60 HB2 ALA 60 0.890 -5.828 -1.603 469 H THR 61 HN THR 61 -1.253 -3.147 -3.516 470 HA THR 61 HA THR 61 -3.818 -4.284 -2.658 471 HB THR 61 HB THR 61 -3.009 -1.970 -2.190 472 HG1 THR 61 HG1 THR 61 -5.217 -1.564 -3.815 473 1HG2 THR 61 HG23 THR 61 -1.869 -1.586 -4.339 474 2HG2 THR 61 HG22 THR 61 -3.427 -1.587 -5.165 475 3HG2 THR 61 HG21 THR 61 -3.041 -0.309 -4.012 476 H ALA 62 HN ALA 62 -2.283 -3.229 -5.659 477 HA ALA 62 HA ALA 62 -4.498 -3.511 -7.420 478 1HB ALA 62 HB2 ALA 62 -1.501 -3.846 -7.684 479 2HB ALA 62 HB1 ALA 62 -2.574 -3.968 -9.077 480 3HB ALA 62 HB3 ALA 62 -2.477 -2.459 -8.168 481 H ASP 63 HN ASP 63 -2.377 -5.816 -5.840 482 HA ASP 63 HA ASP 63 -3.322 -8.088 -7.469 483 1HB ASP 63 HB2 ASP 63 -1.092 -7.431 -5.863 484 2HB ASP 63 HB1 ASP 63 -1.915 -8.741 -5.016 485 H ALA 64 HN ALA 64 -4.105 -6.450 -4.484 486 HA ALA 64 HA ALA 64 -5.586 -8.640 -3.268 487 1HB ALA 64 HB1 ALA 64 -4.653 -6.075 -2.604 488 2HB ALA 64 HB3 ALA 64 -6.410 -5.930 -2.566 489 3HB ALA 64 HB2 ALA 64 -5.603 -7.136 -1.563 490 H GLY 65 HN GLY 65 -6.093 -6.470 -5.861 491 1HA GLY 65 HA2 GLY 65 -7.992 -6.883 -7.370 492 2HA GLY 65 HA1 GLY 65 -8.964 -7.244 -5.945 493 H TYR 66 HN TYR 66 -6.700 -4.591 -6.034 494 HA TYR 66 HA TYR 66 -8.978 -2.661 -6.254 495 1HB TYR 66 HB2 TYR 66 -6.742 -2.711 -4.197 496 2HB TYR 66 HB1 TYR 66 -8.039 -1.516 -4.279 497 HD1 TYR 66 HD1 TYR 66 -10.367 -3.126 -4.957 498 HD2 TYR 66 HD2 TYR 66 -7.159 -3.997 -2.226 499 HE1 TYR 66 HE1 TYR 66 -11.865 -4.625 -3.674 500 HE2 TYR 66 HE2 TYR 66 -8.660 -5.494 -0.955 501 HH TYR 66 HH TYR 66 -11.319 -6.796 -2.030 502 HA PRO 67 HA PRO 67 -5.682 -1.418 -9.205 503 1HB PRO 67 HB2 PRO 67 -7.692 0.346 -10.291 504 2HB PRO 67 HB1 PRO 67 -7.002 -1.104 -11.027 505 1HG PRO 67 HG2 PRO 67 -9.633 -0.771 -9.930 506 2HG PRO 67 HG1 PRO 67 -8.937 -2.218 -10.666 507 1HD PRO 67 HD2 PRO 67 -9.536 -1.781 -7.887 508 2HD PRO 67 HD1 PRO 67 -8.768 -3.212 -8.618 509 H SER 68 HN SER 68 -4.544 -0.242 -7.541 510 HA SER 68 HA SER 68 -5.635 2.466 -6.890 511 1HB SER 68 HB2 SER 68 -3.288 1.348 -5.468 512 2HB SER 68 HB1 SER 68 -4.716 2.150 -4.818 513 HG SER 68 HG SER 68 -5.781 0.284 -4.817 514 H SER 69 HN SER 69 -3.401 3.798 -6.161 515 HA SER 69 HA SER 69 -1.407 3.637 -8.356 516 1HB SER 69 HB2 SER 69 -3.590 5.575 -8.036 517 2HB SER 69 HB1 SER 69 -2.012 6.347 -8.159 518 HG SER 69 HG SER 69 -1.975 5.825 -10.187 519 H VAL 70 HN VAL 70 0.167 5.746 -7.783 520 HA VAL 70 HA VAL 70 0.463 5.795 -4.821 521 HB VAL 70 HB VAL 70 1.722 3.998 -6.098 522 1HG1 VAL 70 HG13 VAL 70 2.349 5.959 -7.832 523 2HG1 VAL 70 HG12 VAL 70 3.757 6.067 -6.775 524 3HG1 VAL 70 HG11 VAL 70 3.384 4.551 -7.593 525 1HG2 VAL 70 HG21 VAL 70 2.412 5.583 -3.890 526 2HG2 VAL 70 HG23 VAL 70 3.114 4.022 -4.309 527 3HG2 VAL 70 HG22 VAL 70 3.882 5.512 -4.856 528 H LYS 71 HN LYS 71 1.553 7.573 -3.972 529 HA LYS 71 HA LYS 71 2.336 9.719 -5.901 530 1HB LYS 71 HB2 LYS 71 0.161 10.321 -5.182 531 2HB LYS 71 HB1 LYS 71 0.458 9.748 -3.539 532 1HG LYS 71 HG2 LYS 71 2.430 11.712 -4.172 533 2HG LYS 71 HG1 LYS 71 0.845 12.363 -4.576 534 1HD LYS 71 HD2 LYS 71 0.016 11.789 -2.333 535 2HD LYS 71 HD1 LYS 71 1.586 11.099 -1.925 536 1HE LYS 71 HE2 LYS 71 1.499 13.363 -1.021 537 2HE LYS 71 HE1 LYS 71 2.609 13.376 -2.405 538 1HZ LYS 71 HZ3 LYS 71 -0.180 13.730 -3.082 539 2HZ LYS 71 HZ2 LYS 71 0.481 15.001 -2.169 540 3HZ LYS 71 HZ1 LYS 71 1.186 14.559 -3.651 541 H GLN 72 HN GLN 72 4.502 8.784 -5.285 542 HA GLN 72 HA GLN 72 5.397 9.392 -2.515 543 1HB GLN 72 HB2 GLN 72 7.328 8.040 -3.157 544 2HB GLN 72 HB1 GLN 72 5.855 7.202 -3.647 545 1HG GLN 72 HG2 GLN 72 6.287 7.463 -5.875 546 2HG GLN 72 HG1 GLN 72 6.995 9.063 -5.655 547 1HE2 GLN 72 HE22 GLN 72 10.094 7.446 -6.311 548 2HE2 GLN 72 HE21 GLN 72 8.917 8.505 -6.920 No H/Q in entry = 548 Start of MODEL 13 1 1H ALA 1 HT1 ALA 1 18.194 2.500 2.914 2 2H ALA 1 HT3 ALA 1 18.744 2.893 1.359 3 3H ALA 1 HT2 ALA 1 17.393 3.694 2.009 4 HA ALA 1 HA ALA 1 16.634 2.059 0.418 5 1HB ALA 1 HB1 ALA 1 18.483 0.379 2.116 6 2HB ALA 1 HB3 ALA 1 17.251 -0.365 1.097 7 3HB ALA 1 HB2 ALA 1 18.521 0.618 0.369 8 H THR 2 HN THR 2 15.440 3.387 2.505 9 HA THR 2 HA THR 2 13.552 1.402 3.550 10 HB THR 2 HB THR 2 14.035 3.086 5.691 11 HG1 THR 2 HG1 THR 2 16.169 3.359 5.862 12 1HG2 THR 2 HG23 THR 2 14.041 0.375 5.148 13 2HG2 THR 2 HG22 THR 2 15.676 0.669 5.740 14 3HG2 THR 2 HG21 THR 2 14.286 1.099 6.737 15 H GLN 3 HN GLN 3 12.137 2.521 2.048 16 HA GLN 3 HA GLN 3 11.526 5.358 2.812 17 1HB GLN 3 HB2 GLN 3 10.967 4.091 0.133 18 2HB GLN 3 HB1 GLN 3 11.173 5.799 0.518 19 1HG GLN 3 HG2 GLN 3 13.373 3.720 0.711 20 2HG GLN 3 HG1 GLN 3 13.155 4.823 -0.649 21 1HE2 GLN 3 HE22 GLN 3 15.590 6.479 1.590 22 2HE2 GLN 3 HE21 GLN 3 15.557 5.106 0.591 23 H THR 4 HN THR 4 9.320 6.011 2.692 24 HA THR 4 HA THR 4 7.293 3.824 2.553 25 HB THR 4 HB THR 4 7.879 4.232 4.900 26 HG1 THR 4 HG1 THR 4 5.482 5.636 4.415 27 1HG2 THR 4 HG21 THR 4 8.810 6.477 4.531 28 2HG2 THR 4 HG23 THR 4 7.171 7.100 4.341 29 3HG2 THR 4 HG22 THR 4 7.683 6.422 5.887 30 H VAL 5 HN VAL 5 5.321 4.531 1.642 31 HA VAL 5 HA VAL 5 5.110 7.443 0.920 32 HB VAL 5 HB VAL 5 4.408 6.631 -1.340 33 1HG1 VAL 5 HG13 VAL 5 6.865 7.144 -0.520 34 2HG1 VAL 5 HG12 VAL 5 7.089 5.411 -0.757 35 3HG1 VAL 5 HG11 VAL 5 6.600 6.430 -2.111 36 1HG2 VAL 5 HG23 VAL 5 3.695 4.365 -0.557 37 2HG2 VAL 5 HG22 VAL 5 4.808 4.290 -1.924 38 3HG2 VAL 5 HG21 VAL 5 5.390 3.956 -0.293 39 H THR 6 HN THR 6 2.812 7.802 0.014 40 HA THR 6 HA THR 6 0.911 6.243 1.712 41 HB THR 6 HB THR 6 1.223 8.771 2.023 42 HG1 THR 6 HG1 THR 6 -0.998 9.092 2.180 43 1HG2 THR 6 HG22 THR 6 1.352 8.991 -0.592 44 2HG2 THR 6 HG21 THR 6 -0.406 9.074 -0.474 45 3HG2 THR 6 HG23 THR 6 0.589 10.267 0.356 46 H LEU 7 HN LEU 7 -1.076 5.569 0.582 47 HA LEU 7 HA LEU 7 -0.753 5.622 -2.394 48 1HB LEU 7 HB2 LEU 7 -0.587 3.456 -0.513 49 2HB LEU 7 HB1 LEU 7 -1.994 3.194 -1.537 50 HG LEU 7 HG LEU 7 -0.628 3.402 -3.526 51 1HD1 LEU 7 HD12 LEU 7 1.649 3.929 -1.617 52 2HD1 LEU 7 HD11 LEU 7 1.823 3.680 -3.355 53 3HD1 LEU 7 HD13 LEU 7 0.947 5.076 -2.747 54 1HD2 LEU 7 HD23 LEU 7 0.635 1.596 -1.441 55 2HD2 LEU 7 HD22 LEU 7 -0.662 1.159 -2.554 56 3HD2 LEU 7 HD21 LEU 7 0.959 1.480 -3.171 57 H ALA 8 HN ALA 8 -2.646 5.579 -3.591 58 HA ALA 8 HA ALA 8 -5.187 6.115 -2.080 59 1HB ALA 8 HB3 ALA 8 -3.707 7.636 -3.976 60 2HB ALA 8 HB2 ALA 8 -5.172 7.094 -4.794 61 3HB ALA 8 HB1 ALA 8 -5.289 8.023 -3.299 62 H VAL 9 HN VAL 9 -6.510 4.328 -2.308 63 HA VAL 9 HA VAL 9 -6.281 2.755 -4.856 64 HB VAL 9 HB VAL 9 -7.702 1.676 -2.472 65 1HG1 VAL 9 HG13 VAL 9 -7.152 0.483 -4.661 66 2HG1 VAL 9 HG12 VAL 9 -5.469 0.502 -4.133 67 3HG1 VAL 9 HG11 VAL 9 -6.682 -0.355 -3.182 68 1HG2 VAL 9 HG21 VAL 9 -4.693 2.112 -2.522 69 2HG2 VAL 9 HG23 VAL 9 -5.826 2.846 -1.387 70 3HG2 VAL 9 HG22 VAL 9 -5.551 1.104 -1.356 71 HA PRO 10 HA PRO 10 -10.441 4.898 -5.004 72 1HB PRO 10 HB2 PRO 10 -10.125 5.024 -7.836 73 2HB PRO 10 HB1 PRO 10 -10.028 6.359 -6.682 74 1HG PRO 10 HG2 PRO 10 -7.879 5.079 -8.148 75 2HG PRO 10 HG1 PRO 10 -7.814 6.521 -7.131 76 1HD PRO 10 HD2 PRO 10 -6.755 3.937 -6.523 77 2HD PRO 10 HD1 PRO 10 -6.841 5.347 -5.442 78 H GLY 11 HN GLY 11 -8.981 2.074 -6.429 79 1HA GLY 11 HA2 GLY 11 -11.110 1.067 -7.992 80 2HA GLY 11 HA1 GLY 11 -9.958 0.052 -7.118 81 H MET 12 HN MET 12 -10.812 1.509 -4.581 82 HA MET 12 HA MET 12 -13.542 0.380 -4.208 83 1HB MET 12 HB2 MET 12 -11.561 -0.202 -2.076 84 2HB MET 12 HB1 MET 12 -12.874 -1.202 -2.685 85 1HG MET 12 HG2 MET 12 -10.959 -2.343 -3.392 86 2HG MET 12 HG1 MET 12 -11.406 -1.430 -4.822 87 1HE MET 12 HE1 MET 12 -9.256 -1.801 -1.748 88 2HE MET 12 HE3 MET 12 -8.106 -0.458 -1.788 89 3HE MET 12 HE2 MET 12 -9.805 -0.157 -1.432 90 H THR 13 HN THR 13 -13.977 0.831 -1.603 91 HA THR 13 HA THR 13 -12.741 3.108 -0.402 92 HB THR 13 HB THR 13 -13.501 4.372 -2.273 93 HG1 THR 13 HG1 THR 13 -15.281 5.586 -1.313 94 1HG2 THR 13 HG22 THR 13 -15.868 2.575 -2.043 95 2HG2 THR 13 HG21 THR 13 -16.142 4.199 -2.673 96 3HG2 THR 13 HG23 THR 13 -15.005 3.121 -3.481 97 H CYS 14 HN CYS 14 -13.300 1.301 1.247 98 HA CYS 14 HA CYS 14 -15.496 2.149 2.878 99 1HB CYS 14 HB2 CYS 14 -17.253 0.973 2.048 100 2HB CYS 14 HB1 CYS 14 -16.265 0.726 0.616 101 H ALA 15 HN ALA 15 -16.030 0.157 4.507 102 HA ALA 15 HA ALA 15 -13.436 -0.612 5.624 103 1HB ALA 15 HB3 ALA 15 -16.325 -0.675 6.341 104 2HB ALA 15 HB2 ALA 15 -15.299 -1.867 7.139 105 3HB ALA 15 HB1 ALA 15 -14.944 -0.147 7.303 106 H ALA 16 HN ALA 16 -12.873 -1.954 3.605 107 HA ALA 16 HA ALA 16 -13.179 -4.747 4.154 108 1HB ALA 16 HB3 ALA 16 -15.469 -3.635 3.186 109 2HB ALA 16 HB2 ALA 16 -14.695 -4.140 1.684 110 3HB ALA 16 HB1 ALA 16 -15.030 -5.327 2.945 111 H CYS 17 HN CYS 17 -12.879 -2.445 1.403 112 HA CYS 17 HA CYS 17 -10.906 -4.278 0.154 113 1HB CYS 17 HB2 CYS 17 -11.932 -1.664 -0.936 114 2HB CYS 17 HB1 CYS 17 -11.326 -3.058 -1.817 115 HA PRO 18 HA PRO 18 -8.345 -0.165 0.451 116 1HB PRO 18 HB2 PRO 18 -9.177 1.084 2.916 117 2HB PRO 18 HB1 PRO 18 -9.191 1.769 1.291 118 1HG PRO 18 HG2 PRO 18 -11.443 0.979 2.842 119 2HG PRO 18 HG1 PRO 18 -11.440 1.557 1.174 120 1HD PRO 18 HD2 PRO 18 -11.929 -1.135 2.137 121 2HD PRO 18 HD1 PRO 18 -12.016 -0.536 0.463 122 H ILE 19 HN ILE 19 -9.675 -1.684 3.349 123 HA ILE 19 HA ILE 19 -7.241 -1.861 4.886 124 HB ILE 19 HB ILE 19 -9.903 -2.395 5.192 125 1HG1 ILE 19 HG12 ILE 19 -7.664 -3.542 6.883 126 2HG1 ILE 19 HG11 ILE 19 -8.270 -1.889 6.982 127 1HG2 ILE 19 HG22 ILE 19 -9.651 -4.558 3.955 128 2HG2 ILE 19 HG21 ILE 19 -8.561 -5.109 5.228 129 3HG2 ILE 19 HG23 ILE 19 -10.250 -4.757 5.601 130 1HD1 ILE 19 HD12 ILE 19 -10.448 -3.805 7.140 131 2HD1 ILE 19 HD11 ILE 19 -9.243 -4.113 8.390 132 3HD1 ILE 19 HD13 ILE 19 -10.006 -2.528 8.272 133 H THR 20 HN THR 20 -8.700 -3.853 2.370 134 HA THR 20 HA THR 20 -6.990 -6.143 2.528 135 HB THR 20 HB THR 20 -8.199 -4.939 0.017 136 HG1 THR 20 HG1 THR 20 -9.405 -6.073 2.281 137 1HG2 THR 20 HG22 THR 20 -6.798 -7.032 -0.094 138 2HG2 THR 20 HG21 THR 20 -7.978 -7.810 0.963 139 3HG2 THR 20 HG23 THR 20 -8.462 -7.252 -0.638 140 H VAL 21 HN VAL 21 -6.559 -2.916 1.407 141 HA VAL 21 HA VAL 21 -4.350 -3.428 -0.386 142 HB VAL 21 HB VAL 21 -5.112 -0.908 1.124 143 1HG1 VAL 21 HG13 VAL 21 -3.180 -1.579 -0.978 144 2HG1 VAL 21 HG12 VAL 21 -4.242 -0.241 -1.419 145 3HG1 VAL 21 HG11 VAL 21 -3.270 -0.149 0.050 146 1HG2 VAL 21 HG22 VAL 21 -7.032 -1.960 -0.119 147 2HG2 VAL 21 HG21 VAL 21 -6.572 -0.377 -0.744 148 3HG2 VAL 21 HG23 VAL 21 -6.080 -1.839 -1.596 149 H LYS 22 HN LYS 22 -4.789 -2.761 3.028 150 HA LYS 22 HA LYS 22 -2.060 -2.223 3.712 151 1HB LYS 22 HB2 LYS 22 -4.238 -1.891 5.050 152 2HB LYS 22 HB1 LYS 22 -4.152 -3.613 5.407 153 1HG LYS 22 HG2 LYS 22 -1.812 -3.220 6.286 154 2HG LYS 22 HG1 LYS 22 -2.118 -1.491 6.129 155 1HD LYS 22 HD2 LYS 22 -3.901 -1.563 7.720 156 2HD LYS 22 HD1 LYS 22 -3.942 -3.327 7.695 157 1HE LYS 22 HE2 LYS 22 -1.302 -2.214 8.401 158 2HE LYS 22 HE1 LYS 22 -2.584 -1.854 9.574 159 1HZ LYS 22 HZ3 LYS 22 -2.306 -4.550 8.401 160 2HZ LYS 22 HZ2 LYS 22 -1.396 -4.101 9.765 161 3HZ LYS 22 HZ1 LYS 22 -3.094 -4.093 9.831 162 H LYS 23 HN LYS 23 -4.024 -5.128 3.350 163 HA LYS 23 HA LYS 23 -2.089 -6.976 4.367 164 1HB LYS 23 HB2 LYS 23 -4.535 -7.382 4.026 165 2HB LYS 23 HB1 LYS 23 -4.252 -7.367 2.284 166 1HG LYS 23 HG2 LYS 23 -2.512 -9.172 3.874 167 2HG LYS 23 HG1 LYS 23 -4.209 -9.636 3.756 168 1HD LYS 23 HD2 LYS 23 -3.001 -8.741 1.214 169 2HD LYS 23 HD1 LYS 23 -2.323 -10.234 1.866 170 1HE LYS 23 HE2 LYS 23 -4.117 -11.210 0.813 171 2HE LYS 23 HE1 LYS 23 -5.016 -10.655 2.239 172 1HZ LYS 23 HZ2 LYS 23 -4.555 -9.027 -0.204 173 2HZ LYS 23 HZ1 LYS 23 -5.996 -9.860 0.133 174 3HZ LYS 23 HZ3 LYS 23 -5.497 -8.589 1.140 175 H ALA 24 HN ALA 24 -2.733 -5.637 1.208 176 HA ALA 24 HA ALA 24 -1.051 -7.217 -0.402 177 1HB ALA 24 HB1 ALA 24 -2.768 -5.217 -0.807 178 2HB ALA 24 HB3 ALA 24 -1.278 -4.274 -0.858 179 3HB ALA 24 HB2 ALA 24 -1.521 -5.602 -1.993 180 H LEU 25 HN LEU 25 -0.270 -3.990 0.956 181 HA LEU 25 HA LEU 25 2.537 -4.128 0.339 182 1HB LEU 25 HB2 LEU 25 1.303 -2.592 2.631 183 2HB LEU 25 HB1 LEU 25 2.645 -2.111 1.595 184 HG LEU 25 HG LEU 25 0.404 -2.579 -0.096 185 1HD1 LEU 25 HD12 LEU 25 -0.736 -2.212 2.237 186 2HD1 LEU 25 HD11 LEU 25 -0.286 -0.525 1.991 187 3HD1 LEU 25 HD13 LEU 25 -1.347 -1.333 0.836 188 1HD2 LEU 25 HD23 LEU 25 2.457 -0.723 0.270 189 2HD2 LEU 25 HD22 LEU 25 1.221 -0.664 -0.988 190 3HD2 LEU 25 HD21 LEU 25 0.987 0.217 0.522 191 H SER 26 HN SER 26 0.600 -5.304 2.997 192 HA SER 26 HA SER 26 2.643 -5.663 4.962 193 1HB SER 26 HB2 SER 26 0.327 -5.797 5.571 194 2HB SER 26 HB1 SER 26 0.000 -6.999 4.327 195 HG SER 26 HG SER 26 0.424 -7.588 6.721 196 H LYS 27 HN LYS 27 1.730 -7.405 2.076 197 HA LYS 27 HA LYS 27 3.863 -9.380 2.709 198 1HB LYS 27 HB2 LYS 27 2.352 -11.046 2.440 199 2HB LYS 27 HB1 LYS 27 1.117 -9.795 2.469 200 1HG LYS 27 HG2 LYS 27 2.515 -10.780 -0.038 201 2HG LYS 27 HG1 LYS 27 0.916 -11.294 0.490 202 1HD LYS 27 HD2 LYS 27 0.669 -8.564 0.585 203 2HD LYS 27 HD1 LYS 27 1.744 -8.777 -0.797 204 1HE LYS 27 HE2 LYS 27 -0.707 -10.512 -0.554 205 2HE LYS 27 HE1 LYS 27 -0.848 -8.870 -1.206 206 1HZ LYS 27 HZ3 LYS 27 1.444 -10.009 -2.309 207 2HZ LYS 27 HZ2 LYS 27 0.205 -11.161 -2.466 208 3HZ LYS 27 HZ1 LYS 27 0.004 -9.601 -3.107 209 H VAL 28 HN VAL 28 3.299 -6.797 0.817 210 HA VAL 28 HA VAL 28 3.664 -7.513 -1.866 211 HB VAL 28 HB VAL 28 3.329 -5.221 -1.097 212 1HG1 VAL 28 HG12 VAL 28 4.888 -5.667 0.952 213 2HG1 VAL 28 HG11 VAL 28 6.173 -5.122 -0.125 214 3HG1 VAL 28 HG13 VAL 28 4.831 -4.046 0.260 215 1HG2 VAL 28 HG21 VAL 28 5.557 -6.002 -2.842 216 2HG2 VAL 28 HG23 VAL 28 4.293 -4.801 -3.108 217 3HG2 VAL 28 HG22 VAL 28 5.733 -4.375 -2.184 218 H GLU 29 HN GLU 29 6.267 -7.018 0.570 219 HA GLU 29 HA GLU 29 7.892 -9.172 -0.151 220 1HB GLU 29 HB2 GLU 29 7.815 -6.999 -2.104 221 2HB GLU 29 HB1 GLU 29 9.458 -7.373 -1.579 222 1HG GLU 29 HG2 GLU 29 7.947 -9.803 -1.985 223 2HG GLU 29 HG1 GLU 29 7.916 -8.806 -3.439 224 H GLY 30 HN GLY 30 9.316 -5.963 -0.375 225 1HA GLY 30 HA2 GLY 30 10.894 -6.497 2.037 226 2HA GLY 30 HA1 GLY 30 11.074 -5.111 0.966 227 H VAL 31 HN VAL 31 7.831 -5.322 1.691 228 HA VAL 31 HA VAL 31 7.572 -2.922 3.068 229 HB VAL 31 HB VAL 31 5.795 -4.548 2.203 230 1HG1 VAL 31 HG11 VAL 31 6.803 -6.380 3.803 231 2HG1 VAL 31 HG13 VAL 31 5.752 -5.626 5.003 232 3HG1 VAL 31 HG12 VAL 31 5.061 -6.317 3.535 233 1HG2 VAL 31 HG22 VAL 31 5.696 -2.491 4.057 234 2HG2 VAL 31 HG21 VAL 31 4.299 -3.218 3.264 235 3HG2 VAL 31 HG23 VAL 31 4.806 -3.789 4.853 236 H SER 32 HN SER 32 8.102 -2.195 5.008 237 HA SER 32 HA SER 32 9.043 -4.134 7.077 238 1HB SER 32 HB2 SER 32 10.110 -1.754 5.903 239 2HB SER 32 HB1 SER 32 9.778 -1.415 7.599 240 HG SER 32 HG SER 32 11.643 -2.397 7.821 241 H LYS 33 HN LYS 33 6.666 -1.837 6.226 242 HA LYS 33 HA LYS 33 5.249 -2.240 8.761 243 1HB LYS 33 HB2 LYS 33 6.538 -0.581 9.712 244 2HB LYS 33 HB1 LYS 33 6.890 0.175 8.166 245 1HG LYS 33 HG2 LYS 33 4.685 1.180 8.085 246 2HG LYS 33 HG1 LYS 33 4.185 0.288 9.522 247 1HD LYS 33 HD2 LYS 33 6.633 1.795 9.998 248 2HD LYS 33 HD1 LYS 33 5.311 2.844 9.481 249 1HE LYS 33 HE2 LYS 33 4.463 0.816 11.434 250 2HE LYS 33 HE1 LYS 33 5.671 1.949 12.070 251 1HZ LYS 33 HZ2 LYS 33 4.256 3.692 10.820 252 2HZ LYS 33 HZ1 LYS 33 3.025 2.525 10.910 253 3HZ LYS 33 HZ3 LYS 33 3.720 3.132 12.332 254 H VAL 34 HN VAL 34 3.077 -1.221 8.676 255 HA VAL 34 HA VAL 34 2.261 -0.060 6.073 256 HB VAL 34 HB VAL 34 0.986 -2.564 7.212 257 1HG1 VAL 34 HG12 VAL 34 -0.282 -0.945 5.656 258 2HG1 VAL 34 HG11 VAL 34 0.838 -1.472 4.399 259 3HG1 VAL 34 HG13 VAL 34 -0.230 -2.642 5.176 260 1HG2 VAL 34 HG21 VAL 34 3.117 -2.224 5.083 261 2HG2 VAL 34 HG23 VAL 34 3.224 -3.181 6.561 262 3HG2 VAL 34 HG22 VAL 34 2.152 -3.689 5.256 263 H ASP 35 HN ASP 35 0.231 1.015 6.209 264 HA ASP 35 HA ASP 35 -1.466 0.921 8.562 265 1HB ASP 35 HB2 ASP 35 0.726 2.152 9.222 266 2HB ASP 35 HB1 ASP 35 0.154 3.451 8.173 267 H VAL 36 HN VAL 36 -3.133 0.814 6.976 268 HA VAL 36 HA VAL 36 -3.266 3.065 5.021 269 HB VAL 36 HB VAL 36 -4.551 1.540 3.697 270 1HG1 VAL 36 HG13 VAL 36 -2.354 0.096 5.202 271 2HG1 VAL 36 HG12 VAL 36 -3.126 -0.551 3.757 272 3HG1 VAL 36 HG11 VAL 36 -2.210 0.953 3.670 273 1HG2 VAL 36 HG23 VAL 36 -6.013 0.777 5.586 274 2HG2 VAL 36 HG22 VAL 36 -5.454 -0.550 4.571 275 3HG2 VAL 36 HG21 VAL 36 -4.698 -0.258 6.137 276 H GLY 37 HN GLY 37 -6.025 2.631 4.447 277 1HA GLY 37 HA2 GLY 37 -7.469 3.351 6.927 278 2HA GLY 37 HA1 GLY 37 -7.475 4.522 5.604 279 H PHE 38 HN PHE 38 -8.990 1.816 6.880 280 HA PHE 38 HA PHE 38 -10.111 0.702 4.414 281 1HB PHE 38 HB2 PHE 38 -11.217 -0.816 5.985 282 2HB PHE 38 HB1 PHE 38 -9.530 -0.623 6.448 283 HD1 PHE 38 HD2 PHE 38 -8.918 0.797 8.412 284 HD2 PHE 38 HD1 PHE 38 -13.012 -0.012 7.390 285 HE1 PHE 38 HE2 PHE 38 -9.630 1.551 10.664 286 HE2 PHE 38 HE1 PHE 38 -13.721 0.734 9.645 287 HZ PHE 38 HZ PHE 38 -12.032 1.521 11.281 288 H GLU 39 HN GLU 39 -10.793 3.242 4.194 289 HA GLU 39 HA GLU 39 -13.664 3.285 4.169 290 1HB GLU 39 HB2 GLU 39 -13.206 3.435 6.634 291 2HB GLU 39 HB1 GLU 39 -12.324 4.934 6.341 292 1HG GLU 39 HG2 GLU 39 -14.927 5.004 5.059 293 2HG GLU 39 HG1 GLU 39 -15.084 4.676 6.785 294 H LYS 40 HN LYS 40 -11.075 5.660 4.880 295 HA LYS 40 HA LYS 40 -12.084 7.516 2.851 296 1HB LYS 40 HB2 LYS 40 -10.725 7.781 5.163 297 2HB LYS 40 HB1 LYS 40 -9.358 7.739 4.048 298 1HG LYS 40 HG2 LYS 40 -9.780 9.839 3.350 299 2HG LYS 40 HG1 LYS 40 -11.461 9.433 3.003 300 1HD LYS 40 HD2 LYS 40 -12.006 9.722 5.411 301 2HD LYS 40 HD1 LYS 40 -10.334 10.197 5.714 302 1HE LYS 40 HE2 LYS 40 -11.357 11.746 3.507 303 2HE LYS 40 HE1 LYS 40 -12.463 11.884 4.890 304 1HZ LYS 40 HZ3 LYS 40 -9.559 11.970 5.347 305 2HZ LYS 40 HZ2 LYS 40 -10.344 13.369 4.787 306 3HZ LYS 40 HZ1 LYS 40 -10.810 12.663 6.260 307 H ARG 41 HN ARG 41 -10.496 4.649 2.605 308 HA ARG 41 HA ARG 41 -9.260 3.628 0.885 309 1HB ARG 41 HB2 ARG 41 -10.998 4.780 -0.435 310 2HB ARG 41 HB1 ARG 41 -9.984 6.221 -0.497 311 1HG ARG 41 HG2 ARG 41 -8.473 3.897 -1.319 312 2HG ARG 41 HG1 ARG 41 -9.940 4.051 -2.285 313 1HD ARG 41 HD2 ARG 41 -7.835 6.207 -1.870 314 2HD ARG 41 HD1 ARG 41 -8.177 5.342 -3.374 315 HE ARG 41 HE ARG 41 -10.640 6.395 -2.568 316 1HH1 ARG 41 HH21 ARG 41 -7.475 7.580 -3.286 317 2HH1 ARG 41 HH22 ARG 41 -8.039 9.115 -3.855 318 1HH2 ARG 41 HH11 ARG 41 -11.385 8.394 -3.315 319 2HH2 ARG 41 HH12 ARG 41 -10.248 9.575 -3.873 320 H GLU 42 HN GLU 42 -7.261 3.909 2.188 321 HA GLU 42 HA GLU 42 -5.271 5.424 0.647 322 1HB GLU 42 HB2 GLU 42 -6.168 7.289 1.803 323 2HB GLU 42 HB1 GLU 42 -6.307 6.391 3.314 324 1HG GLU 42 HG2 GLU 42 -3.888 6.313 3.549 325 2HG GLU 42 HG1 GLU 42 -3.677 7.067 1.968 326 H ALA 43 HN ALA 43 -3.489 4.082 0.717 327 HA ALA 43 HA ALA 43 -2.996 2.585 3.262 328 1HB ALA 43 HB2 ALA 43 -2.301 2.002 0.374 329 2HB ALA 43 HB1 ALA 43 -1.840 0.977 1.733 330 3HB ALA 43 HB3 ALA 43 -3.544 1.198 1.333 331 H VAL 44 HN VAL 44 -1.290 3.410 4.405 332 HA VAL 44 HA VAL 44 0.911 4.762 2.886 333 HB VAL 44 HB VAL 44 -0.395 5.077 5.565 334 1HG1 VAL 44 HG13 VAL 44 2.010 4.638 6.082 335 2HG1 VAL 44 HG12 VAL 44 2.455 5.959 5.003 336 3HG1 VAL 44 HG11 VAL 44 1.530 6.291 6.467 337 1HG2 VAL 44 HG22 VAL 44 -0.593 6.502 3.338 338 2HG2 VAL 44 HG21 VAL 44 -0.590 7.297 4.913 339 3HG2 VAL 44 HG23 VAL 44 0.884 7.249 3.946 340 H VAL 45 HN VAL 45 2.772 3.569 2.747 341 HA VAL 45 HA VAL 45 3.220 1.479 4.859 342 HB VAL 45 HB VAL 45 2.227 0.588 2.809 343 1HG1 VAL 45 HG11 VAL 45 4.499 2.103 1.559 344 2HG1 VAL 45 HG13 VAL 45 3.808 0.702 0.741 345 3HG1 VAL 45 HG12 VAL 45 2.794 2.097 1.111 346 1HG2 VAL 45 HG22 VAL 45 5.127 -0.043 3.355 347 2HG2 VAL 45 HG21 VAL 45 3.700 -0.967 3.826 348 3HG2 VAL 45 HG23 VAL 45 4.211 -0.933 2.139 349 H THR 46 HN THR 46 5.329 0.950 5.326 350 HA THR 46 HA THR 46 7.511 2.713 4.235 351 HB THR 46 HB THR 46 6.898 1.429 6.904 352 HG1 THR 46 HG1 THR 46 6.314 3.482 6.952 353 1HG2 THR 46 HG22 THR 46 9.198 0.754 6.301 354 2HG2 THR 46 HG21 THR 46 9.610 2.443 6.006 355 3HG2 THR 46 HG23 THR 46 9.199 1.907 7.635 356 H PHE 47 HN PHE 47 9.571 1.478 3.867 357 HA PHE 47 HA PHE 47 9.570 -1.410 4.150 358 1HB PHE 47 HB2 PHE 47 9.335 -1.914 1.748 359 2HB PHE 47 HB1 PHE 47 7.902 -1.077 2.350 360 HD1 PHE 47 HD2 PHE 47 11.130 -0.570 0.535 361 HD2 PHE 47 HD1 PHE 47 7.265 1.042 1.511 362 HE1 PHE 47 HE2 PHE 47 11.471 1.242 -1.110 363 HE2 PHE 47 HE1 PHE 47 7.608 2.856 -0.146 364 HZ PHE 47 HZ PHE 47 9.709 2.953 -1.456 365 H ASP 48 HN ASP 48 11.335 -2.276 2.488 366 HA ASP 48 HA ASP 48 13.664 -0.429 2.738 367 1HB ASP 48 HB2 ASP 48 13.190 -3.125 3.448 368 2HB ASP 48 HB1 ASP 48 14.257 -3.188 2.046 369 H ASP 49 HN ASP 49 13.991 0.598 0.807 370 HA ASP 49 HA ASP 49 12.820 -0.168 -1.651 371 1HB ASP 49 HB2 ASP 49 13.803 1.777 -2.383 372 2HB ASP 49 HB1 ASP 49 14.062 2.005 -0.657 373 H THR 50 HN THR 50 15.451 -1.635 -0.065 374 HA THR 50 HA THR 50 17.038 -2.422 -2.346 375 HB THR 50 HB THR 50 17.810 -2.376 0.006 376 HG1 THR 50 HG1 THR 50 19.114 -3.808 -0.767 377 1HG2 THR 50 HG21 THR 50 15.644 -4.444 0.289 378 2HG2 THR 50 HG23 THR 50 17.022 -4.436 1.389 379 3HG2 THR 50 HG22 THR 50 15.961 -3.030 1.294 380 H LYS 51 HN LYS 51 14.120 -3.734 -0.835 381 HA LYS 51 HA LYS 51 14.187 -5.954 -2.852 382 1HB LYS 51 HB2 LYS 51 13.786 -5.873 0.061 383 2HB LYS 51 HB1 LYS 51 12.582 -6.836 -0.797 384 1HG LYS 51 HG2 LYS 51 14.625 -7.855 -2.050 385 2HG LYS 51 HG1 LYS 51 15.571 -7.199 -0.714 386 1HD LYS 51 HD2 LYS 51 14.908 -9.537 -0.271 387 2HD LYS 51 HD1 LYS 51 14.174 -8.436 0.895 388 1HE LYS 51 HE2 LYS 51 12.044 -8.537 -0.211 389 2HE LYS 51 HE1 LYS 51 12.746 -9.358 -1.620 390 1HZ LYS 51 HZ3 LYS 51 12.948 -10.464 1.121 391 2HZ LYS 51 HZ2 LYS 51 11.649 -10.841 0.092 392 3HZ LYS 51 HZ1 LYS 51 13.235 -11.257 -0.351 393 H ALA 52 HN ALA 52 12.471 -3.272 -1.628 394 HA ALA 52 HA ALA 52 10.170 -3.919 -3.410 395 1HB ALA 52 HB2 ALA 52 10.176 -4.035 -0.575 396 2HB ALA 52 HB1 ALA 52 9.289 -2.575 -1.012 397 3HB ALA 52 HB3 ALA 52 8.778 -4.139 -1.645 398 H SER 53 HN SER 53 8.654 -1.690 -3.075 399 HA SER 53 HA SER 53 10.060 0.784 -2.758 400 1HB SER 53 HB2 SER 53 10.101 1.175 -5.358 401 2HB SER 53 HB1 SER 53 11.407 0.271 -4.598 402 HG SER 53 HG SER 53 9.681 -0.531 -6.462 403 H VAL 54 HN VAL 54 8.746 2.615 -3.470 404 HA VAL 54 HA VAL 54 6.047 2.585 -2.969 405 HB VAL 54 HB VAL 54 7.336 4.605 -3.355 406 1HG1 VAL 54 HG13 VAL 54 8.625 3.357 -5.292 407 2HG1 VAL 54 HG12 VAL 54 7.391 4.094 -6.313 408 3HG1 VAL 54 HG11 VAL 54 8.451 5.111 -5.337 409 1HG2 VAL 54 HG21 VAL 54 4.801 4.092 -4.542 410 2HG2 VAL 54 HG23 VAL 54 5.446 5.636 -3.988 411 3HG2 VAL 54 HG22 VAL 54 5.700 5.124 -5.655 412 H GLN 55 HN GLN 55 7.562 1.959 -6.145 413 HA GLN 55 HA GLN 55 5.195 1.607 -7.671 414 1HB GLN 55 HB2 GLN 55 7.534 1.757 -8.518 415 2HB GLN 55 HB1 GLN 55 7.859 0.157 -7.848 416 1HG GLN 55 HG2 GLN 55 6.181 -0.843 -9.297 417 2HG GLN 55 HG1 GLN 55 5.706 0.745 -9.899 418 1HE2 GLN 55 HE22 GLN 55 8.543 1.077 -12.045 419 2HE2 GLN 55 HE21 GLN 55 7.323 1.935 -11.235 420 H LYS 56 HN LYS 56 7.125 -0.799 -5.860 421 HA LYS 56 HA LYS 56 5.463 -3.063 -6.406 422 1HB LYS 56 HB2 LYS 56 7.837 -2.436 -5.066 423 2HB LYS 56 HB1 LYS 56 6.781 -3.070 -3.804 424 1HG LYS 56 HG2 LYS 56 7.435 -5.110 -4.545 425 2HG LYS 56 HG1 LYS 56 6.314 -4.821 -5.877 426 1HD LYS 56 HD2 LYS 56 9.122 -3.759 -6.024 427 2HD LYS 56 HD1 LYS 56 8.797 -5.447 -6.420 428 1HE LYS 56 HE2 LYS 56 7.506 -4.900 -8.291 429 2HE LYS 56 HE1 LYS 56 7.097 -3.292 -7.659 430 1HZ LYS 56 HZ1 LYS 56 9.854 -4.131 -8.375 431 2HZ LYS 56 HZ3 LYS 56 8.838 -3.271 -9.424 432 3HZ LYS 56 HZ2 LYS 56 9.330 -2.570 -7.958 433 H LEU 57 HN LEU 57 5.165 -0.458 -4.032 434 HA LEU 57 HA LEU 57 3.298 -1.837 -2.292 435 1HB LEU 57 HB2 LEU 57 3.651 1.131 -2.839 436 2HB LEU 57 HB1 LEU 57 2.986 0.405 -1.378 437 HG LEU 57 HG LEU 57 5.831 -0.018 -2.362 438 1HD1 LEU 57 HD13 LEU 57 4.672 2.231 -1.124 439 2HD1 LEU 57 HD12 LEU 57 5.535 1.374 0.152 440 3HD1 LEU 57 HD11 LEU 57 6.391 1.882 -1.301 441 1HD2 LEU 57 HD21 LEU 57 4.206 -1.423 -0.479 442 2HD2 LEU 57 HD23 LEU 57 5.924 -1.650 -0.812 443 3HD2 LEU 57 HD22 LEU 57 5.410 -0.511 0.432 444 H THR 58 HN THR 58 2.847 0.700 -4.763 445 HA THR 58 HA THR 58 -0.013 0.538 -4.869 446 HB THR 58 HB THR 58 1.870 1.311 -7.109 447 HG1 THR 58 HG1 THR 58 1.069 3.087 -5.093 448 1HG2 THR 58 HG23 THR 58 -0.727 1.316 -7.267 449 2HG2 THR 58 HG22 THR 58 -0.631 2.732 -6.220 450 3HG2 THR 58 HG21 THR 58 0.147 2.750 -7.802 451 H LYS 59 HN LYS 59 2.554 -1.415 -6.157 452 HA LYS 59 HA LYS 59 0.911 -2.659 -8.251 453 1HB LYS 59 HB2 LYS 59 3.694 -2.677 -7.266 454 2HB LYS 59 HB1 LYS 59 3.132 -4.234 -7.875 455 1HG LYS 59 HG2 LYS 59 2.162 -2.680 -9.828 456 2HG LYS 59 HG1 LYS 59 3.511 -1.660 -9.330 457 1HD LYS 59 HD2 LYS 59 4.880 -2.977 -10.536 458 2HD LYS 59 HD1 LYS 59 4.527 -4.291 -9.413 459 1HE LYS 59 HE2 LYS 59 3.056 -5.306 -10.863 460 2HE LYS 59 HE1 LYS 59 2.469 -3.758 -11.504 461 1HZ LYS 59 HZ2 LYS 59 5.273 -4.479 -11.954 462 2HZ LYS 59 HZ1 LYS 59 4.094 -5.255 -12.900 463 3HZ LYS 59 HZ3 LYS 59 4.224 -3.564 -12.928 464 H ALA 60 HN ALA 60 1.707 -3.184 -4.873 465 HA ALA 60 HA ALA 60 0.948 -5.989 -4.802 466 1HB ALA 60 HB2 ALA 60 1.881 -3.889 -3.038 467 2HB ALA 60 HB1 ALA 60 0.541 -4.750 -2.282 468 3HB ALA 60 HB3 ALA 60 1.974 -5.635 -2.807 469 H THR 61 HN THR 61 -0.722 -2.902 -4.184 470 HA THR 61 HA THR 61 -3.273 -4.207 -3.544 471 HB THR 61 HB THR 61 -2.539 -1.942 -2.773 472 HG1 THR 61 HG1 THR 61 -4.707 -2.259 -2.768 473 1HG2 THR 61 HG22 THR 61 -1.409 -1.333 -4.925 474 2HG2 THR 61 HG21 THR 61 -3.004 -1.132 -5.651 475 3HG2 THR 61 HG23 THR 61 -2.498 -0.082 -4.327 476 H ALA 62 HN ALA 62 -1.705 -2.697 -6.328 477 HA ALA 62 HA ALA 62 -3.832 -2.792 -8.193 478 1HB ALA 62 HB3 ALA 62 -0.840 -3.218 -8.501 479 2HB ALA 62 HB2 ALA 62 -1.935 -2.882 -9.841 480 3HB ALA 62 HB1 ALA 62 -1.683 -1.672 -8.582 481 H ASP 63 HN ASP 63 -1.643 -5.274 -6.957 482 HA ASP 63 HA ASP 63 -2.632 -7.305 -8.856 483 1HB ASP 63 HB2 ASP 63 -0.316 -6.858 -7.392 484 2HB ASP 63 HB1 ASP 63 -1.096 -8.169 -6.506 485 H ALA 64 HN ALA 64 -3.370 -6.119 -5.661 486 HA ALA 64 HA ALA 64 -4.735 -8.509 -4.715 487 1HB ALA 64 HB1 ALA 64 -3.720 -6.438 -3.466 488 2HB ALA 64 HB3 ALA 64 -5.273 -5.682 -3.823 489 3HB ALA 64 HB2 ALA 64 -5.210 -7.152 -2.849 490 H GLY 65 HN GLY 65 -5.414 -6.079 -7.001 491 1HA GLY 65 HA2 GLY 65 -7.385 -6.296 -8.443 492 2HA GLY 65 HA1 GLY 65 -8.267 -6.916 -7.049 493 H TYR 66 HN TYR 66 -6.094 -4.202 -6.880 494 HA TYR 66 HA TYR 66 -8.409 -2.324 -6.660 495 1HB TYR 66 HB2 TYR 66 -6.108 -2.761 -4.727 496 2HB TYR 66 HB1 TYR 66 -7.308 -1.484 -4.580 497 HD1 TYR 66 HD1 TYR 66 -9.766 -2.880 -5.450 498 HD2 TYR 66 HD2 TYR 66 -6.566 -4.203 -2.890 499 HE1 TYR 66 HE1 TYR 66 -11.305 -4.480 -4.333 500 HE2 TYR 66 HE2 TYR 66 -8.107 -5.784 -1.776 501 HH TYR 66 HH TYR 66 -11.438 -5.631 -2.072 502 HA PRO 67 HA PRO 67 -5.152 -0.621 -9.480 503 1HB PRO 67 HB2 PRO 67 -7.276 1.193 -10.269 504 2HB PRO 67 HB1 PRO 67 -6.479 -0.052 -11.235 505 1HG PRO 67 HG2 PRO 67 -9.128 -0.115 -10.155 506 2HG PRO 67 HG1 PRO 67 -8.305 -1.382 -11.070 507 1HD PRO 67 HD2 PRO 67 -8.976 -1.394 -8.272 508 2HD PRO 67 HD1 PRO 67 -8.088 -2.642 -9.181 509 H SER 68 HN SER 68 -4.035 0.349 -7.672 510 HA SER 68 HA SER 68 -5.225 2.882 -6.613 511 1HB SER 68 HB2 SER 68 -4.523 2.062 -4.634 512 2HB SER 68 HB1 SER 68 -4.000 0.602 -5.469 513 HG SER 68 HG SER 68 -1.987 1.331 -5.509 514 H SER 69 HN SER 69 -3.041 4.159 -5.687 515 HA SER 69 HA SER 69 -0.984 4.406 -7.793 516 1HB SER 69 HB2 SER 69 -3.359 5.916 -7.828 517 2HB SER 69 HB1 SER 69 -2.155 7.000 -7.138 518 HG SER 69 HG SER 69 -2.262 5.776 -9.659 519 H VAL 70 HN VAL 70 0.463 6.471 -6.932 520 HA VAL 70 HA VAL 70 0.496 6.295 -3.952 521 HB VAL 70 HB VAL 70 2.031 4.763 -5.241 522 1HG1 VAL 70 HG13 VAL 70 2.517 6.639 -6.948 523 2HG1 VAL 70 HG12 VAL 70 3.640 7.270 -5.744 524 3HG1 VAL 70 HG11 VAL 70 3.887 5.660 -6.421 525 1HG2 VAL 70 HG22 VAL 70 2.404 6.145 -2.879 526 2HG2 VAL 70 HG21 VAL 70 3.451 4.844 -3.449 527 3HG2 VAL 70 HG23 VAL 70 3.877 6.526 -3.762 528 H LYS 71 HN LYS 71 1.539 8.084 -2.869 529 HA LYS 71 HA LYS 71 2.454 10.375 -4.477 530 1HB LYS 71 HB2 LYS 71 0.549 11.813 -3.534 531 2HB LYS 71 HB1 LYS 71 0.097 10.651 -4.786 532 1HG LYS 71 HG2 LYS 71 -1.305 9.625 -3.364 533 2HG LYS 71 HG1 LYS 71 0.024 9.341 -2.240 534 1HD LYS 71 HD2 LYS 71 -0.629 11.023 -0.883 535 2HD LYS 71 HD1 LYS 71 -0.864 12.124 -2.239 536 1HE LYS 71 HE2 LYS 71 -3.084 11.360 -2.623 537 2HE LYS 71 HE1 LYS 71 -2.840 9.913 -1.625 538 1HZ LYS 71 HZ3 LYS 71 -2.334 12.520 -0.399 539 2HZ LYS 71 HZ2 LYS 71 -3.956 12.077 -0.645 540 3HZ LYS 71 HZ1 LYS 71 -2.939 11.097 0.300 541 H GLN 72 HN GLN 72 3.680 8.903 -2.421 542 HA GLN 72 HA GLN 72 4.882 9.226 -0.407 543 1HB GLN 72 HB2 GLN 72 4.471 11.795 -1.766 544 2HB GLN 72 HB1 GLN 72 4.781 11.971 -0.039 545 1HG GLN 72 HG2 GLN 72 6.956 11.465 -0.315 546 2HG GLN 72 HG1 GLN 72 6.546 9.978 -1.172 547 1HE2 GLN 72 HE22 GLN 72 8.225 11.704 -3.849 548 2HE2 GLN 72 HE21 GLN 72 8.488 10.613 -2.575 No H/Q in entry = 548 Start of MODEL 14 1 1H ALA 1 HT1 ALA 1 18.264 2.455 2.069 2 2H ALA 1 HT3 ALA 1 19.057 2.112 0.609 3 3H ALA 1 HT2 ALA 1 18.411 3.661 0.882 4 HA ALA 1 HA ALA 1 16.674 2.898 -0.324 5 1HB ALA 1 HB1 ALA 1 18.114 0.391 0.329 6 2HB ALA 1 HB3 ALA 1 16.397 0.199 -0.028 7 3HB ALA 1 HB2 ALA 1 17.467 0.945 -1.215 8 H THR 2 HN THR 2 15.521 4.040 1.424 9 HA THR 2 HA THR 2 13.751 2.275 2.974 10 HB THR 2 HB THR 2 14.376 4.342 4.699 11 HG1 THR 2 HG1 THR 2 16.814 3.884 4.646 12 1HG2 THR 2 HG23 THR 2 15.367 1.508 4.476 13 2HG2 THR 2 HG22 THR 2 15.790 2.529 5.850 14 3HG2 THR 2 HG21 THR 2 14.100 2.142 5.526 15 H GLN 3 HN GLN 3 12.216 3.084 1.382 16 HA GLN 3 HA GLN 3 11.720 6.037 1.491 17 1HB GLN 3 HB2 GLN 3 10.596 4.088 -0.515 18 2HB GLN 3 HB1 GLN 3 10.893 5.814 -0.710 19 1HG GLN 3 HG2 GLN 3 13.055 3.717 -0.352 20 2HG GLN 3 HG1 GLN 3 12.586 4.426 -1.897 21 1HE2 GLN 3 HE22 GLN 3 15.473 6.404 -0.618 22 2HE2 GLN 3 HE21 GLN 3 15.225 4.796 -1.100 23 H THR 4 HN THR 4 9.540 6.796 1.572 24 HA THR 4 HA THR 4 7.497 4.855 2.580 25 HB THR 4 HB THR 4 8.042 7.614 3.723 26 HG1 THR 4 HG1 THR 4 8.950 5.067 4.571 27 1HG2 THR 4 HG21 THR 4 6.484 5.219 4.736 28 2HG2 THR 4 HG23 THR 4 6.720 6.725 5.623 29 3HG2 THR 4 HG22 THR 4 5.796 6.722 4.121 30 H VAL 5 HN VAL 5 5.857 5.026 1.086 31 HA VAL 5 HA VAL 5 5.217 7.752 -0.019 32 HB VAL 5 HB VAL 5 4.649 6.596 -2.073 33 1HG1 VAL 5 HG11 VAL 5 7.204 6.767 -1.034 34 2HG1 VAL 5 HG13 VAL 5 7.107 5.080 -1.539 35 3HG1 VAL 5 HG12 VAL 5 6.813 6.369 -2.707 36 1HG2 VAL 5 HG22 VAL 5 3.723 4.570 -0.843 37 2HG2 VAL 5 HG21 VAL 5 4.673 4.202 -2.283 38 3HG2 VAL 5 HG23 VAL 5 5.387 4.008 -0.682 39 H THR 6 HN THR 6 2.903 7.886 -0.710 40 HA THR 6 HA THR 6 1.149 6.472 1.250 41 HB THR 6 HB THR 6 1.363 8.995 1.291 42 HG1 THR 6 HG1 THR 6 -1.032 9.258 0.975 43 1HG2 THR 6 HG21 THR 6 1.056 8.624 -1.516 44 2HG2 THR 6 HG23 THR 6 -0.332 9.549 -0.945 45 3HG2 THR 6 HG22 THR 6 1.303 10.135 -0.641 46 H LEU 7 HN LEU 7 -0.979 5.762 0.325 47 HA LEU 7 HA LEU 7 -0.808 5.386 -2.643 48 1HB LEU 7 HB2 LEU 7 -0.718 3.473 -0.454 49 2HB LEU 7 HB1 LEU 7 -2.052 3.117 -1.549 50 HG LEU 7 HG LEU 7 -0.584 3.023 -3.434 51 1HD1 LEU 7 HD12 LEU 7 1.350 4.306 -1.549 52 2HD1 LEU 7 HD11 LEU 7 1.952 3.357 -2.909 53 3HD1 LEU 7 HD13 LEU 7 0.926 4.756 -3.195 54 1HD2 LEU 7 HD21 LEU 7 0.212 1.530 -0.982 55 2HD2 LEU 7 HD23 LEU 7 -0.319 0.910 -2.545 56 3HD2 LEU 7 HD22 LEU 7 1.339 1.474 -2.337 57 H ALA 8 HN ALA 8 -2.794 5.193 -3.713 58 HA ALA 8 HA ALA 8 -5.222 6.007 -2.132 59 1HB ALA 8 HB3 ALA 8 -3.818 7.194 -4.370 60 2HB ALA 8 HB2 ALA 8 -5.472 6.800 -4.836 61 3HB ALA 8 HB1 ALA 8 -5.172 7.848 -3.449 62 H VAL 9 HN VAL 9 -6.363 4.061 -2.027 63 HA VAL 9 HA VAL 9 -6.573 2.453 -4.552 64 HB VAL 9 HB VAL 9 -5.529 1.398 -2.591 65 1HG1 VAL 9 HG11 VAL 9 -7.472 2.838 -1.179 66 2HG1 VAL 9 HG13 VAL 9 -7.952 1.152 -0.998 67 3HG1 VAL 9 HG12 VAL 9 -6.340 1.667 -0.503 68 1HG2 VAL 9 HG21 VAL 9 -7.010 0.101 -4.189 69 2HG2 VAL 9 HG23 VAL 9 -6.846 -0.616 -2.587 70 3HG2 VAL 9 HG22 VAL 9 -8.310 0.272 -3.010 71 HA PRO 10 HA PRO 10 -10.805 4.234 -4.070 72 1HB PRO 10 HB2 PRO 10 -11.118 4.027 -6.883 73 2HB PRO 10 HB1 PRO 10 -10.783 5.492 -5.956 74 1HG PRO 10 HG2 PRO 10 -9.010 4.035 -7.723 75 2HG PRO 10 HG1 PRO 10 -8.733 5.581 -6.915 76 1HD PRO 10 HD2 PRO 10 -7.566 3.029 -6.273 77 2HD PRO 10 HD1 PRO 10 -7.331 4.579 -5.430 78 H GLY 11 HN GLY 11 -9.508 1.244 -4.954 79 1HA GLY 11 HA2 GLY 11 -11.992 0.048 -5.959 80 2HA GLY 11 HA1 GLY 11 -10.493 -0.815 -5.616 81 H MET 12 HN MET 12 -11.446 1.213 -3.068 82 HA MET 12 HA MET 12 -12.389 -1.139 -1.526 83 1HB MET 12 HB2 MET 12 -11.576 0.141 0.402 84 2HB MET 12 HB1 MET 12 -10.322 0.078 -0.837 85 1HG MET 12 HG2 MET 12 -10.269 2.338 -0.476 86 2HG MET 12 HG1 MET 12 -11.606 2.322 -1.624 87 1HE MET 12 HE3 MET 12 -12.588 4.398 -1.029 88 2HE MET 12 HE2 MET 12 -13.916 3.245 -1.127 89 3HE MET 12 HE1 MET 12 -13.904 4.457 0.152 90 H THR 13 HN THR 13 -13.639 0.215 0.587 91 HA THR 13 HA THR 13 -15.466 2.273 -0.210 92 HB THR 13 HB THR 13 -16.304 0.705 -1.782 93 HG1 THR 13 HG1 THR 13 -17.959 1.720 -0.668 94 1HG2 THR 13 HG22 THR 13 -15.904 -1.204 0.470 95 2HG2 THR 13 HG21 THR 13 -17.201 -1.550 -0.670 96 3HG2 THR 13 HG23 THR 13 -15.540 -1.400 -1.243 97 H CYS 14 HN CYS 14 -14.377 0.091 2.244 98 HA CYS 14 HA CYS 14 -15.866 1.534 4.267 99 1HB CYS 14 HB2 CYS 14 -17.466 -0.136 4.871 100 2HB CYS 14 HB1 CYS 14 -17.561 -0.024 3.115 101 H ALA 15 HN ALA 15 -15.884 -0.525 6.247 102 HA ALA 15 HA ALA 15 -12.991 -0.711 6.794 103 1HB ALA 15 HB1 ALA 15 -15.580 -1.265 8.243 104 2HB ALA 15 HB3 ALA 15 -14.046 -1.817 8.919 105 3HB ALA 15 HB2 ALA 15 -14.321 -0.096 8.646 106 H ALA 16 HN ALA 16 -13.128 -2.225 4.662 107 HA ALA 16 HA ALA 16 -12.815 -4.974 5.629 108 1HB ALA 16 HB3 ALA 16 -15.038 -4.128 3.751 109 2HB ALA 16 HB2 ALA 16 -14.580 -5.806 4.039 110 3HB ALA 16 HB1 ALA 16 -15.222 -4.828 5.359 111 H CYS 17 HN CYS 17 -13.077 -2.880 2.700 112 HA CYS 17 HA CYS 17 -11.046 -4.668 1.447 113 1HB CYS 17 HB2 CYS 17 -11.876 -3.622 -0.703 114 2HB CYS 17 HB1 CYS 17 -13.045 -4.598 0.173 115 HA PRO 18 HA PRO 18 -9.085 -0.385 0.831 116 1HB PRO 18 HB2 PRO 18 -9.523 1.363 2.952 117 2HB PRO 18 HB1 PRO 18 -10.356 1.442 1.403 118 1HG PRO 18 HG2 PRO 18 -11.410 0.639 4.010 119 2HG PRO 18 HG1 PRO 18 -12.287 1.045 2.531 120 1HD PRO 18 HD2 PRO 18 -11.813 -1.577 3.628 121 2HD PRO 18 HD1 PRO 18 -12.654 -1.166 2.123 122 H ILE 19 HN ILE 19 -9.840 -1.446 4.095 123 HA ILE 19 HA ILE 19 -7.266 -1.108 5.318 124 HB ILE 19 HB ILE 19 -9.625 -2.967 5.746 125 1HG1 ILE 19 HG12 ILE 19 -8.730 -0.613 7.417 126 2HG1 ILE 19 HG11 ILE 19 -9.819 -0.423 6.042 127 1HG2 ILE 19 HG22 ILE 19 -6.993 -3.129 6.867 128 2HG2 ILE 19 HG21 ILE 19 -8.117 -2.629 8.130 129 3HG2 ILE 19 HG23 ILE 19 -8.406 -4.119 7.233 130 1HD1 ILE 19 HD11 ILE 19 -10.327 -2.326 8.345 131 2HD1 ILE 19 HD13 ILE 19 -11.009 -0.703 8.241 132 3HD1 ILE 19 HD12 ILE 19 -11.440 -1.920 7.039 133 H THR 20 HN THR 20 -8.665 -3.605 3.250 134 HA THR 20 HA THR 20 -6.727 -5.676 3.715 135 HB THR 20 HB THR 20 -8.258 -5.095 1.155 136 HG1 THR 20 HG1 THR 20 -9.742 -6.624 2.495 137 1HG2 THR 20 HG23 THR 20 -7.277 -7.599 2.555 138 2HG2 THR 20 HG22 THR 20 -8.399 -7.627 1.195 139 3HG2 THR 20 HG21 THR 20 -6.771 -6.983 0.981 140 H VAL 21 HN VAL 21 -6.706 -2.696 1.990 141 HA VAL 21 HA VAL 21 -4.602 -3.281 0.118 142 HB VAL 21 HB VAL 21 -5.524 -0.688 1.409 143 1HG1 VAL 21 HG12 VAL 21 -3.416 -1.286 -0.467 144 2HG1 VAL 21 HG11 VAL 21 -4.644 -0.285 -1.243 145 3HG1 VAL 21 HG13 VAL 21 -3.862 0.267 0.238 146 1HG2 VAL 21 HG22 VAL 21 -6.407 -2.121 -1.115 147 2HG2 VAL 21 HG21 VAL 21 -7.387 -1.802 0.317 148 3HG2 VAL 21 HG23 VAL 21 -6.863 -0.466 -0.708 149 H LYS 22 HN LYS 22 -4.839 -2.206 3.453 150 HA LYS 22 HA LYS 22 -2.075 -1.482 3.806 151 1HB LYS 22 HB2 LYS 22 -4.047 -0.854 5.264 152 2HB LYS 22 HB1 LYS 22 -4.070 -2.522 5.843 153 1HG LYS 22 HG2 LYS 22 -1.397 -1.767 6.066 154 2HG LYS 22 HG1 LYS 22 -2.288 -0.339 6.591 155 1HD LYS 22 HD2 LYS 22 -2.420 -1.399 8.593 156 2HD LYS 22 HD1 LYS 22 -3.673 -2.376 7.826 157 1HE LYS 22 HE2 LYS 22 -0.942 -3.296 7.219 158 2HE LYS 22 HE1 LYS 22 -1.371 -3.402 8.939 159 1HZ LYS 22 HZ1 LYS 22 -3.052 -4.373 6.687 160 2HZ LYS 22 HZ3 LYS 22 -2.125 -5.363 7.705 161 3HZ LYS 22 HZ2 LYS 22 -3.435 -4.486 8.338 162 H LYS 23 HN LYS 23 -3.974 -4.431 4.161 163 HA LYS 23 HA LYS 23 -1.952 -6.051 5.339 164 1HB LYS 23 HB2 LYS 23 -4.513 -6.389 4.925 165 2HB LYS 23 HB1 LYS 23 -3.996 -7.048 3.372 166 1HG LYS 23 HG2 LYS 23 -2.782 -8.008 5.961 167 2HG LYS 23 HG1 LYS 23 -4.275 -8.707 5.333 168 1HD LYS 23 HD2 LYS 23 -2.940 -8.942 3.102 169 2HD LYS 23 HD1 LYS 23 -1.518 -8.764 4.130 170 1HE LYS 23 HE2 LYS 23 -1.737 -10.874 4.948 171 2HE LYS 23 HE1 LYS 23 -3.475 -10.657 5.231 172 1HZ LYS 23 HZ1 LYS 23 -3.526 -10.653 2.631 173 2HZ LYS 23 HZ3 LYS 23 -2.088 -11.536 2.799 174 3HZ LYS 23 HZ2 LYS 23 -3.527 -12.120 3.489 175 H ALA 24 HN ALA 24 -2.633 -5.104 2.063 176 HA ALA 24 HA ALA 24 -0.990 -6.936 0.654 177 1HB ALA 24 HB3 ALA 24 -2.731 -4.908 0.081 178 2HB ALA 24 HB2 ALA 24 -1.191 -4.172 -0.363 179 3HB ALA 24 HB1 ALA 24 -1.697 -5.683 -1.118 180 H LEU 25 HN LEU 25 -0.260 -3.536 1.582 181 HA LEU 25 HA LEU 25 2.514 -3.667 0.823 182 1HB LEU 25 HB2 LEU 25 1.375 -1.938 3.022 183 2HB LEU 25 HB1 LEU 25 2.646 -1.538 1.869 184 HG LEU 25 HG LEU 25 0.409 -2.196 0.302 185 1HD1 LEU 25 HD12 LEU 25 -0.834 -1.927 2.512 186 2HD1 LEU 25 HD11 LEU 25 -0.377 -0.225 2.458 187 3HD1 LEU 25 HD13 LEU 25 -1.398 -0.905 1.190 188 1HD2 LEU 25 HD23 LEU 25 2.269 -0.090 0.668 189 2HD2 LEU 25 HD22 LEU 25 1.153 -0.303 -0.681 190 3HD2 LEU 25 HD21 LEU 25 0.671 0.653 0.720 191 H SER 26 HN SER 26 0.800 -4.718 3.669 192 HA SER 26 HA SER 26 3.124 -4.848 5.421 193 1HB SER 26 HB2 SER 26 0.248 -5.667 5.415 194 2HB SER 26 HB1 SER 26 1.314 -6.464 6.569 195 HG SER 26 HG SER 26 0.418 -4.557 7.435 196 H LYS 27 HN LYS 27 1.710 -6.851 2.960 197 HA LYS 27 HA LYS 27 3.445 -9.117 3.803 198 1HB LYS 27 HB2 LYS 27 1.338 -10.029 3.711 199 2HB LYS 27 HB1 LYS 27 0.747 -8.780 2.619 200 1HG LYS 27 HG2 LYS 27 2.688 -10.873 1.657 201 2HG LYS 27 HG1 LYS 27 0.956 -11.197 1.708 202 1HD LYS 27 HD2 LYS 27 1.512 -8.592 0.539 203 2HD LYS 27 HD1 LYS 27 2.325 -9.885 -0.346 204 1HE LYS 27 HE2 LYS 27 -0.394 -10.654 0.380 205 2HE LYS 27 HE1 LYS 27 -0.369 -9.178 -0.606 206 1HZ LYS 27 HZ3 LYS 27 1.213 -10.305 -2.102 207 2HZ LYS 27 HZ2 LYS 27 1.019 -11.737 -1.207 208 3HZ LYS 27 HZ1 LYS 27 -0.296 -11.078 -2.056 209 H VAL 28 HN VAL 28 3.464 -6.538 1.737 210 HA VAL 28 HA VAL 28 4.080 -7.420 -0.832 211 HB VAL 28 HB VAL 28 5.034 -5.227 0.985 212 1HG1 VAL 28 HG11 VAL 28 6.515 -6.226 -1.341 213 2HG1 VAL 28 HG13 VAL 28 6.050 -4.534 -1.508 214 3HG1 VAL 28 HG12 VAL 28 7.005 -5.053 -0.120 215 1HG2 VAL 28 HG23 VAL 28 2.840 -5.181 -0.238 216 2HG2 VAL 28 HG22 VAL 28 3.902 -3.835 -0.650 217 3HG2 VAL 28 HG21 VAL 28 3.738 -5.199 -1.756 218 H GLU 29 HN GLU 29 6.865 -6.488 1.139 219 HA GLU 29 HA GLU 29 8.086 -9.064 1.401 220 1HB GLU 29 HB2 GLU 29 9.481 -9.162 -0.533 221 2HB GLU 29 HB1 GLU 29 7.889 -8.726 -1.144 222 1HG GLU 29 HG2 GLU 29 8.541 -6.346 -1.165 223 2HG GLU 29 HG1 GLU 29 10.137 -6.780 -0.554 224 H GLY 30 HN GLY 30 8.770 -5.627 0.678 225 1HA GLY 30 HA2 GLY 30 11.017 -5.779 2.641 226 2HA GLY 30 HA1 GLY 30 10.954 -4.624 1.311 227 H VAL 31 HN VAL 31 7.892 -4.597 2.187 228 HA VAL 31 HA VAL 31 7.830 -2.064 3.403 229 HB VAL 31 HB VAL 31 6.019 -4.475 3.404 230 1HG1 VAL 31 HG11 VAL 31 5.906 -2.168 5.205 231 2HG1 VAL 31 HG13 VAL 31 4.448 -2.334 4.227 232 3HG1 VAL 31 HG12 VAL 31 4.981 -3.669 5.249 233 1HG2 VAL 31 HG23 VAL 31 6.220 -1.824 2.013 234 2HG2 VAL 31 HG22 VAL 31 5.907 -3.420 1.331 235 3HG2 VAL 31 HG21 VAL 31 4.630 -2.564 2.197 236 H SER 32 HN SER 32 8.505 -1.374 5.320 237 HA SER 32 HA SER 32 8.929 -3.364 7.517 238 1HB SER 32 HB2 SER 32 10.648 -1.594 6.333 239 2HB SER 32 HB1 SER 32 10.069 -0.639 7.695 240 HG SER 32 HG SER 32 11.357 -1.795 8.870 241 H LYS 33 HN LYS 33 7.000 -0.767 6.492 242 HA LYS 33 HA LYS 33 5.596 -0.718 9.094 243 1HB LYS 33 HB2 LYS 33 6.894 1.040 9.757 244 2HB LYS 33 HB1 LYS 33 7.477 1.336 8.125 245 1HG LYS 33 HG2 LYS 33 5.222 2.397 7.623 246 2HG LYS 33 HG1 LYS 33 4.871 2.284 9.348 247 1HD LYS 33 HD2 LYS 33 7.492 3.415 8.976 248 2HD LYS 33 HD1 LYS 33 6.322 4.318 8.012 249 1HE LYS 33 HE2 LYS 33 5.179 3.726 10.601 250 2HE LYS 33 HE1 LYS 33 6.741 4.544 10.799 251 1HZ LYS 33 HZ1 LYS 33 4.823 5.452 8.750 252 2HZ LYS 33 HZ3 LYS 33 4.660 5.975 10.355 253 3HZ LYS 33 HZ2 LYS 33 6.082 6.318 9.492 254 H VAL 34 HN VAL 34 3.466 0.437 8.848 255 HA VAL 34 HA VAL 34 2.703 1.154 6.085 256 HB VAL 34 HB VAL 34 2.584 -1.277 6.141 257 1HG1 VAL 34 HG13 VAL 34 1.587 -0.746 8.811 258 2HG1 VAL 34 HG12 VAL 34 0.480 -1.800 7.933 259 3HG1 VAL 34 HG11 VAL 34 2.171 -2.262 8.125 260 1HG2 VAL 34 HG22 VAL 34 0.714 0.230 5.117 261 2HG2 VAL 34 HG21 VAL 34 0.400 -1.497 5.299 262 3HG2 VAL 34 HG23 VAL 34 -0.262 -0.350 6.465 263 H ASP 35 HN ASP 35 0.469 1.933 5.962 264 HA ASP 35 HA ASP 35 -0.769 2.738 8.562 265 1HB ASP 35 HB2 ASP 35 0.551 4.395 6.564 266 2HB ASP 35 HB1 ASP 35 -1.139 4.859 6.739 267 H VAL 36 HN VAL 36 -3.072 2.722 8.425 268 HA VAL 36 HA VAL 36 -4.129 1.614 5.855 269 HB VAL 36 HB VAL 36 -5.719 1.553 8.371 270 1HG1 VAL 36 HG13 VAL 36 -5.541 0.177 5.854 271 2HG1 VAL 36 HG12 VAL 36 -5.356 -0.987 7.166 272 3HG1 VAL 36 HG11 VAL 36 -6.785 0.044 7.097 273 1HG2 VAL 36 HG21 VAL 36 -2.982 0.422 8.137 274 2HG2 VAL 36 HG23 VAL 36 -3.906 0.842 9.578 275 3HG2 VAL 36 HG22 VAL 36 -4.217 -0.679 8.744 276 H GLY 37 HN GLY 37 -5.491 2.822 4.672 277 1HA GLY 37 HA2 GLY 37 -6.892 5.118 5.986 278 2HA GLY 37 HA1 GLY 37 -6.376 5.132 4.292 279 H PHE 38 HN PHE 38 -7.967 2.677 6.281 280 HA PHE 38 HA PHE 38 -9.490 1.192 4.728 281 1HB PHE 38 HB2 PHE 38 -11.261 1.309 6.489 282 2HB PHE 38 HB1 PHE 38 -9.627 1.172 7.123 283 HD1 PHE 38 HD1 PHE 38 -9.973 4.441 5.824 284 HD2 PHE 38 HD2 PHE 38 -11.114 2.004 9.174 285 HE1 PHE 38 HE1 PHE 38 -10.330 6.476 7.183 286 HE2 PHE 38 HE2 PHE 38 -11.471 4.044 10.532 287 HZ PHE 38 HZ PHE 38 -11.079 6.281 9.538 288 H GLU 39 HN GLU 39 -12.142 2.847 5.763 289 HA GLU 39 HA GLU 39 -13.486 3.163 3.402 290 1HB GLU 39 HB2 GLU 39 -14.394 3.585 5.645 291 2HB GLU 39 HB1 GLU 39 -13.432 5.057 5.773 292 1HG GLU 39 HG2 GLU 39 -15.207 6.138 4.889 293 2HG GLU 39 HG1 GLU 39 -14.780 5.369 3.361 294 H LYS 40 HN LYS 40 -11.058 5.423 4.691 295 HA LYS 40 HA LYS 40 -11.462 7.322 2.473 296 1HB LYS 40 HB2 LYS 40 -10.829 7.736 4.975 297 2HB LYS 40 HB1 LYS 40 -9.194 7.320 4.459 298 1HG LYS 40 HG2 LYS 40 -9.764 9.045 2.506 299 2HG LYS 40 HG1 LYS 40 -10.872 9.680 3.723 300 1HD LYS 40 HD2 LYS 40 -8.098 9.059 4.618 301 2HD LYS 40 HD1 LYS 40 -8.308 10.470 3.580 302 1HE LYS 40 HE2 LYS 40 -9.204 11.664 5.286 303 2HE LYS 40 HE1 LYS 40 -10.363 10.370 5.647 304 1HZ LYS 40 HZ3 LYS 40 -7.564 9.851 6.275 305 2HZ LYS 40 HZ2 LYS 40 -8.367 10.964 7.276 306 3HZ LYS 40 HZ1 LYS 40 -8.964 9.382 7.109 307 H ARG 41 HN ARG 41 -10.694 4.668 1.668 308 HA ARG 41 HA ARG 41 -8.707 3.450 0.849 309 1HB ARG 41 HB2 ARG 41 -8.830 4.093 -1.502 310 2HB ARG 41 HB1 ARG 41 -10.437 4.153 -0.783 311 1HG ARG 41 HG2 ARG 41 -10.626 6.317 -1.335 312 2HG ARG 41 HG1 ARG 41 -9.171 6.699 -0.415 313 1HD ARG 41 HD2 ARG 41 -8.055 7.059 -2.362 314 2HD ARG 41 HD1 ARG 41 -8.377 5.383 -2.848 315 HE ARG 41 HE ARG 41 -10.803 6.743 -3.210 316 1HH1 ARG 41 HH21 ARG 41 -7.544 6.992 -4.326 317 2HH1 ARG 41 HH22 ARG 41 -7.983 7.686 -5.850 318 1HH2 ARG 41 HH11 ARG 41 -11.387 7.646 -5.192 319 2HH2 ARG 41 HH12 ARG 41 -10.157 8.053 -6.342 320 H GLU 42 HN GLU 42 -6.853 4.139 2.170 321 HA GLU 42 HA GLU 42 -4.928 5.653 0.570 322 1HB GLU 42 HB2 GLU 42 -6.499 7.237 1.934 323 2HB GLU 42 HB1 GLU 42 -5.533 6.721 3.317 324 1HG GLU 42 HG2 GLU 42 -3.638 7.787 2.571 325 2HG GLU 42 HG1 GLU 42 -4.052 7.559 0.871 326 H ALA 43 HN ALA 43 -3.242 4.187 0.763 327 HA ALA 43 HA ALA 43 -2.670 3.099 3.500 328 1HB ALA 43 HB2 ALA 43 -2.022 2.119 0.701 329 2HB ALA 43 HB1 ALA 43 -1.508 1.307 2.179 330 3HB ALA 43 HB3 ALA 43 -3.224 1.437 1.796 331 H VAL 44 HN VAL 44 -0.920 4.061 4.467 332 HA VAL 44 HA VAL 44 1.184 5.265 2.693 333 HB VAL 44 HB VAL 44 -0.085 5.916 5.306 334 1HG1 VAL 44 HG13 VAL 44 2.827 6.566 4.740 335 2HG1 VAL 44 HG12 VAL 44 1.875 7.216 6.075 336 3HG1 VAL 44 HG11 VAL 44 2.245 5.493 6.013 337 1HG2 VAL 44 HG22 VAL 44 -0.493 7.191 3.220 338 2HG2 VAL 44 HG21 VAL 44 0.234 8.203 4.468 339 3HG2 VAL 44 HG23 VAL 44 1.222 7.591 3.143 340 H VAL 45 HN VAL 45 3.050 4.043 2.573 341 HA VAL 45 HA VAL 45 3.646 2.315 4.952 342 HB VAL 45 HB VAL 45 3.493 1.714 2.007 343 1HG1 VAL 45 HG12 VAL 45 5.223 0.457 4.080 344 2HG1 VAL 45 HG11 VAL 45 4.346 -0.635 3.009 345 3HG1 VAL 45 HG13 VAL 45 5.454 0.560 2.335 346 1HG2 VAL 45 HG21 VAL 45 1.620 1.456 3.874 347 2HG2 VAL 45 HG23 VAL 45 1.824 0.229 2.623 348 3HG2 VAL 45 HG22 VAL 45 2.503 -0.029 4.230 349 H THR 46 HN THR 46 5.781 1.800 5.324 350 HA THR 46 HA THR 46 7.870 3.446 3.934 351 HB THR 46 HB THR 46 7.373 2.561 6.776 352 HG1 THR 46 HG1 THR 46 8.154 4.768 7.062 353 1HG2 THR 46 HG21 THR 46 9.636 1.735 6.165 354 2HG2 THR 46 HG23 THR 46 10.077 3.368 5.664 355 3HG2 THR 46 HG22 THR 46 9.706 3.034 7.356 356 H PHE 47 HN PHE 47 9.902 2.198 3.557 357 HA PHE 47 HA PHE 47 9.977 -0.615 4.245 358 1HB PHE 47 HB2 PHE 47 9.446 -1.494 2.042 359 2HB PHE 47 HB1 PHE 47 8.125 -0.448 2.571 360 HD1 PHE 47 HD2 PHE 47 11.047 -0.723 0.311 361 HD2 PHE 47 HD1 PHE 47 7.720 1.707 1.558 362 HE1 PHE 47 HE2 PHE 47 11.356 0.725 -1.669 363 HE2 PHE 47 HE1 PHE 47 8.037 3.151 -0.430 364 HZ PHE 47 HZ PHE 47 9.853 2.658 -2.041 365 H ASP 48 HN ASP 48 11.582 -1.748 2.660 366 HA ASP 48 HA ASP 48 13.903 0.086 2.308 367 1HB ASP 48 HB2 ASP 48 13.493 -2.808 3.004 368 2HB ASP 48 HB1 ASP 48 15.005 -2.337 2.227 369 H ASP 49 HN ASP 49 14.142 0.664 0.181 370 HA ASP 49 HA ASP 49 12.717 -0.689 -1.926 371 1HB ASP 49 HB2 ASP 49 13.207 1.678 -2.006 372 2HB ASP 49 HB1 ASP 49 14.941 1.368 -1.906 373 H THR 50 HN THR 50 15.428 -1.745 -0.313 374 HA THR 50 HA THR 50 17.161 -2.606 -2.434 375 HB THR 50 HB THR 50 17.612 -2.485 0.061 376 HG1 THR 50 HG1 THR 50 19.158 -3.847 -0.316 377 1HG2 THR 50 HG23 THR 50 15.364 -4.209 0.110 378 2HG2 THR 50 HG22 THR 50 16.745 -5.164 0.650 379 3HG2 THR 50 HG21 THR 50 16.331 -3.663 1.480 380 H LYS 51 HN LYS 51 14.043 -3.669 -1.412 381 HA LYS 51 HA LYS 51 14.226 -5.988 -3.276 382 1HB LYS 51 HB2 LYS 51 13.303 -5.898 -0.407 383 2HB LYS 51 HB1 LYS 51 12.793 -7.188 -1.496 384 1HG LYS 51 HG2 LYS 51 15.585 -6.930 -1.850 385 2HG LYS 51 HG1 LYS 51 15.308 -6.887 -0.109 386 1HD LYS 51 HD2 LYS 51 14.019 -8.965 -1.885 387 2HD LYS 51 HD1 LYS 51 15.605 -9.210 -1.154 388 1HE LYS 51 HE2 LYS 51 13.579 -8.244 0.756 389 2HE LYS 51 HE1 LYS 51 13.224 -9.846 0.077 390 1HZ LYS 51 HZ2 LYS 51 15.973 -9.188 0.899 391 2HZ LYS 51 HZ1 LYS 51 14.843 -9.647 2.081 392 3HZ LYS 51 HZ3 LYS 51 15.212 -10.705 0.808 393 H ALA 52 HN ALA 52 12.134 -3.896 -1.373 394 HA ALA 52 HA ALA 52 9.911 -4.301 -3.334 395 1HB ALA 52 HB2 ALA 52 9.814 -4.565 -0.712 396 2HB ALA 52 HB1 ALA 52 9.715 -2.804 -0.733 397 3HB ALA 52 HB3 ALA 52 8.486 -3.766 -1.552 398 H SER 53 HN SER 53 8.529 -1.967 -3.088 399 HA SER 53 HA SER 53 10.105 0.439 -3.151 400 1HB SER 53 HB2 SER 53 10.975 -0.892 -5.134 401 2HB SER 53 HB1 SER 53 9.380 -0.709 -5.856 402 HG SER 53 HG SER 53 10.693 1.556 -4.861 403 H VAL 54 HN VAL 54 8.798 2.290 -3.801 404 HA VAL 54 HA VAL 54 6.159 2.414 -3.024 405 HB VAL 54 HB VAL 54 7.442 4.372 -3.618 406 1HG1 VAL 54 HG13 VAL 54 8.673 3.075 -5.480 407 2HG1 VAL 54 HG12 VAL 54 7.330 3.546 -6.520 408 3HG1 VAL 54 HG11 VAL 54 8.342 4.781 -5.773 409 1HG2 VAL 54 HG22 VAL 54 4.831 3.866 -4.660 410 2HG2 VAL 54 HG21 VAL 54 5.529 5.413 -4.181 411 3HG2 VAL 54 HG23 VAL 54 5.704 4.843 -5.841 412 H GLN 55 HN GLN 55 7.344 1.534 -6.274 413 HA GLN 55 HA GLN 55 4.802 1.204 -7.532 414 1HB GLN 55 HB2 GLN 55 7.106 1.285 -8.576 415 2HB GLN 55 HB1 GLN 55 7.370 -0.355 -7.983 416 1HG GLN 55 HG2 GLN 55 5.396 -1.127 -9.264 417 2HG GLN 55 HG1 GLN 55 5.164 0.510 -9.878 418 1HE2 GLN 55 HE22 GLN 55 7.758 0.261 -12.282 419 2HE2 GLN 55 HE21 GLN 55 6.625 1.278 -11.530 420 H LYS 56 HN LYS 56 6.896 -1.112 -5.798 421 HA LYS 56 HA LYS 56 5.186 -3.390 -6.068 422 1HB LYS 56 HB2 LYS 56 7.635 -2.580 -4.772 423 2HB LYS 56 HB1 LYS 56 6.665 -3.544 -3.658 424 1HG LYS 56 HG2 LYS 56 6.802 -5.437 -4.954 425 2HG LYS 56 HG1 LYS 56 6.860 -4.525 -6.463 426 1HD LYS 56 HD2 LYS 56 9.199 -3.758 -5.210 427 2HD LYS 56 HD1 LYS 56 9.064 -5.459 -4.763 428 1HE LYS 56 HE2 LYS 56 10.020 -5.832 -6.811 429 2HE LYS 56 HE1 LYS 56 8.386 -5.525 -7.436 430 1HZ LYS 56 HZ3 LYS 56 8.969 -3.108 -7.367 431 2HZ LYS 56 HZ2 LYS 56 10.580 -3.560 -7.067 432 3HZ LYS 56 HZ1 LYS 56 9.827 -4.005 -8.524 433 H LEU 57 HN LEU 57 5.038 -0.620 -3.870 434 HA LEU 57 HA LEU 57 3.373 -1.942 -1.878 435 1HB LEU 57 HB2 LEU 57 3.624 1.001 -2.585 436 2HB LEU 57 HB1 LEU 57 3.109 0.330 -1.039 437 HG LEU 57 HG LEU 57 5.850 -0.162 -2.245 438 1HD1 LEU 57 HD13 LEU 57 4.938 2.264 -1.370 439 2HD1 LEU 57 HD12 LEU 57 5.574 1.577 0.125 440 3HD1 LEU 57 HD11 LEU 57 6.622 1.749 -1.284 441 1HD2 LEU 57 HD23 LEU 57 4.394 -1.238 0.011 442 2HD2 LEU 57 HD22 LEU 57 6.004 -1.666 -0.568 443 3HD2 LEU 57 HD21 LEU 57 5.804 -0.347 0.584 444 H THR 58 HN THR 58 2.690 0.472 -4.421 445 HA THR 58 HA THR 58 -0.165 0.293 -4.304 446 HB THR 58 HB THR 58 1.687 0.958 -6.616 447 HG1 THR 58 HG1 THR 58 2.280 2.452 -5.268 448 1HG2 THR 58 HG22 THR 58 -1.197 1.618 -6.001 449 2HG2 THR 58 HG21 THR 58 -0.248 2.526 -7.177 450 3HG2 THR 58 HG23 THR 58 -0.551 0.808 -7.428 451 H LYS 59 HN LYS 59 2.308 -1.741 -5.636 452 HA LYS 59 HA LYS 59 0.568 -3.144 -7.526 453 1HB LYS 59 HB2 LYS 59 2.936 -2.924 -7.976 454 2HB LYS 59 HB1 LYS 59 3.347 -3.572 -6.387 455 1HG LYS 59 HG2 LYS 59 1.609 -5.357 -7.913 456 2HG LYS 59 HG1 LYS 59 3.145 -5.047 -8.723 457 1HD LYS 59 HD2 LYS 59 4.372 -6.096 -7.098 458 2HD LYS 59 HD1 LYS 59 3.287 -5.582 -5.805 459 1HE LYS 59 HE2 LYS 59 2.006 -7.468 -5.973 460 2HE LYS 59 HE1 LYS 59 2.090 -7.477 -7.747 461 1HZ LYS 59 HZ3 LYS 59 4.575 -7.979 -7.323 462 2HZ LYS 59 HZ2 LYS 59 4.047 -8.497 -5.793 463 3HZ LYS 59 HZ1 LYS 59 3.450 -9.242 -7.199 464 H ALA 60 HN ALA 60 1.630 -3.454 -4.175 465 HA ALA 60 HA ALA 60 0.807 -6.207 -3.814 466 1HB ALA 60 HB2 ALA 60 2.218 -4.335 -2.409 467 2HB ALA 60 HB1 ALA 60 0.685 -4.308 -1.536 468 3HB ALA 60 HB3 ALA 60 1.588 -5.816 -1.687 469 H THR 61 HN THR 61 -0.803 -3.059 -3.366 470 HA THR 61 HA THR 61 -3.291 -4.261 -2.381 471 HB THR 61 HB THR 61 -2.467 -1.928 -1.931 472 HG1 THR 61 HG1 THR 61 -4.795 -2.702 -2.117 473 1HG2 THR 61 HG21 THR 61 -1.581 -1.513 -4.216 474 2HG2 THR 61 HG23 THR 61 -3.236 -1.472 -4.825 475 3HG2 THR 61 HG22 THR 61 -2.683 -0.241 -3.689 476 H ALA 62 HN ALA 62 -1.998 -3.008 -5.430 477 HA ALA 62 HA ALA 62 -4.309 -3.336 -7.047 478 1HB ALA 62 HB1 ALA 62 -2.130 -2.183 -7.614 479 2HB ALA 62 HB3 ALA 62 -1.391 -3.776 -7.779 480 3HB ALA 62 HB2 ALA 62 -2.684 -3.287 -8.873 481 H ASP 63 HN ASP 63 -1.997 -5.581 -5.693 482 HA ASP 63 HA ASP 63 -2.956 -7.830 -7.356 483 1HB ASP 63 HB2 ASP 63 -0.542 -7.310 -6.552 484 2HB ASP 63 HB1 ASP 63 -1.081 -7.922 -4.988 485 H ALA 64 HN ALA 64 -3.538 -6.389 -4.230 486 HA ALA 64 HA ALA 64 -4.655 -8.751 -2.956 487 1HB ALA 64 HB1 ALA 64 -4.524 -5.788 -2.508 488 2HB ALA 64 HB3 ALA 64 -5.707 -6.714 -1.585 489 3HB ALA 64 HB2 ALA 64 -3.990 -7.096 -1.453 490 H GLY 65 HN GLY 65 -5.709 -6.486 -5.320 491 1HA GLY 65 HA2 GLY 65 -7.742 -7.141 -6.613 492 2HA GLY 65 HA1 GLY 65 -8.489 -7.532 -5.066 493 H TYR 66 HN TYR 66 -6.450 -4.747 -5.315 494 HA TYR 66 HA TYR 66 -8.837 -2.962 -5.503 495 1HB TYR 66 HB2 TYR 66 -6.631 -2.726 -3.435 496 2HB TYR 66 HB1 TYR 66 -8.153 -1.837 -3.489 497 HD1 TYR 66 HD1 TYR 66 -10.241 -3.623 -3.897 498 HD2 TYR 66 HD2 TYR 66 -6.598 -4.341 -1.730 499 HE1 TYR 66 HE1 TYR 66 -11.368 -5.406 -2.586 500 HE2 TYR 66 HE2 TYR 66 -7.722 -6.123 -0.435 501 HH TYR 66 HH TYR 66 -11.012 -7.164 -1.195 502 HA PRO 67 HA PRO 67 -5.492 -1.657 -8.405 503 1HB PRO 67 HB2 PRO 67 -7.630 -0.110 -9.615 504 2HB PRO 67 HB1 PRO 67 -6.732 -1.470 -10.296 505 1HG PRO 67 HG2 PRO 67 -9.433 -1.467 -9.375 506 2HG PRO 67 HG1 PRO 67 -8.501 -2.845 -9.968 507 1HD PRO 67 HD2 PRO 67 -9.350 -2.322 -7.261 508 2HD PRO 67 HD1 PRO 67 -8.389 -3.699 -7.855 509 H SER 68 HN SER 68 -4.467 -0.320 -6.829 510 HA SER 68 HA SER 68 -5.757 2.324 -6.262 511 1HB SER 68 HB2 SER 68 -3.320 1.377 -4.843 512 2HB SER 68 HB1 SER 68 -4.752 2.176 -4.200 513 HG SER 68 HG SER 68 -4.621 -0.041 -3.599 514 H SER 69 HN SER 69 -3.484 3.716 -5.526 515 HA SER 69 HA SER 69 -1.600 3.680 -7.814 516 1HB SER 69 HB2 SER 69 -3.842 5.533 -7.365 517 2HB SER 69 HB1 SER 69 -2.300 6.352 -7.596 518 HG SER 69 HG SER 69 -2.257 5.693 -9.605 519 H VAL 70 HN VAL 70 -0.189 5.939 -7.282 520 HA VAL 70 HA VAL 70 0.311 5.920 -4.347 521 HB VAL 70 HB VAL 70 1.641 4.309 -5.815 522 1HG1 VAL 70 HG11 VAL 70 1.985 6.330 -7.494 523 2HG1 VAL 70 HG13 VAL 70 3.377 6.664 -6.462 524 3HG1 VAL 70 HG12 VAL 70 3.244 5.112 -7.290 525 1HG2 VAL 70 HG21 VAL 70 2.344 5.878 -3.564 526 2HG2 VAL 70 HG23 VAL 70 3.059 4.342 -4.051 527 3HG2 VAL 70 HG22 VAL 70 3.763 5.860 -4.607 528 H LYS 71 HN LYS 71 1.381 7.795 -3.532 529 HA LYS 71 HA LYS 71 2.021 9.983 -5.418 530 1HB LYS 71 HB2 LYS 71 0.326 11.374 -3.832 531 2HB LYS 71 HB1 LYS 71 -0.194 10.613 -5.334 532 1HG LYS 71 HG2 LYS 71 -1.299 8.902 -4.248 533 2HG LYS 71 HG1 LYS 71 -0.213 8.942 -2.859 534 1HD LYS 71 HD2 LYS 71 -1.925 10.007 -1.821 535 2HD LYS 71 HD1 LYS 71 -1.364 11.420 -2.716 536 1HE LYS 71 HE2 LYS 71 -2.919 10.304 -4.625 537 2HE LYS 71 HE1 LYS 71 -3.773 9.728 -3.181 538 1HZ LYS 71 HZ3 LYS 71 -3.140 12.275 -2.531 539 2HZ LYS 71 HZ2 LYS 71 -3.488 12.416 -4.188 540 3HZ LYS 71 HZ1 LYS 71 -4.647 11.776 -3.125 541 H GLN 72 HN GLN 72 3.570 8.533 -3.553 542 HA GLN 72 HA GLN 72 4.854 8.781 -1.532 543 1HB GLN 72 HB2 GLN 72 5.185 11.326 -3.149 544 2HB GLN 72 HB1 GLN 72 6.342 10.729 -1.958 545 1HG GLN 72 HG2 GLN 72 6.719 8.710 -3.251 546 2HG GLN 72 HG1 GLN 72 5.443 9.151 -4.386 547 1HE2 GLN 72 HE22 GLN 72 8.226 10.389 -6.280 548 2HE2 GLN 72 HE21 GLN 72 7.201 9.050 -6.083 No H/Q in entry = 548 Start of MODEL 15 1 1H ALA 1 HT1 ALA 1 18.323 2.553 1.734 2 2H ALA 1 HT3 ALA 1 19.147 2.278 0.277 3 3H ALA 1 HT2 ALA 1 17.950 3.482 0.361 4 HA ALA 1 HA ALA 1 16.806 1.767 -0.673 5 1HB ALA 1 HB1 ALA 1 18.692 0.194 1.042 6 2HB ALA 1 HB3 ALA 1 17.227 -0.595 0.459 7 3HB ALA 1 HB2 ALA 1 18.392 0.063 -0.691 8 H THR 2 HN THR 2 15.756 3.439 1.170 9 HA THR 2 HA THR 2 13.853 1.770 2.645 10 HB THR 2 HB THR 2 14.530 3.793 4.413 11 HG1 THR 2 HG1 THR 2 16.427 4.352 3.622 12 1HG2 THR 2 HG21 THR 2 14.087 1.247 4.681 13 2HG2 THR 2 HG23 THR 2 15.836 1.092 4.524 14 3HG2 THR 2 HG22 THR 2 15.150 2.043 5.842 15 H GLN 3 HN GLN 3 12.405 2.681 1.029 16 HA GLN 3 HA GLN 3 12.062 5.655 1.172 17 1HB GLN 3 HB2 GLN 3 10.864 3.833 -0.904 18 2HB GLN 3 HB1 GLN 3 11.309 5.530 -1.053 19 1HG GLN 3 HG2 GLN 3 13.694 4.210 -0.372 20 2HG GLN 3 HG1 GLN 3 12.915 3.167 -1.561 21 1HE2 GLN 3 HE22 GLN 3 14.827 6.327 -2.939 22 2HE2 GLN 3 HE21 GLN 3 15.150 5.533 -1.474 23 H THR 4 HN THR 4 9.909 6.517 1.228 24 HA THR 4 HA THR 4 7.771 4.633 2.148 25 HB THR 4 HB THR 4 8.437 7.343 3.348 26 HG1 THR 4 HG1 THR 4 9.281 4.737 3.953 27 1HG2 THR 4 HG22 THR 4 6.510 5.122 4.005 28 2HG2 THR 4 HG21 THR 4 7.050 6.251 5.248 29 3HG2 THR 4 HG23 THR 4 6.186 6.847 3.831 30 H VAL 5 HN VAL 5 5.783 5.127 1.223 31 HA VAL 5 HA VAL 5 5.376 7.804 -0.021 32 HB VAL 5 HB VAL 5 4.725 6.640 -2.136 33 1HG1 VAL 5 HG11 VAL 5 7.085 7.524 -1.568 34 2HG1 VAL 5 HG13 VAL 5 7.524 5.830 -1.349 35 3HG1 VAL 5 HG12 VAL 5 6.945 6.396 -2.915 36 1HG2 VAL 5 HG21 VAL 5 4.444 4.419 -0.699 37 2HG2 VAL 5 HG23 VAL 5 4.907 4.341 -2.399 38 3HG2 VAL 5 HG22 VAL 5 6.135 4.191 -1.143 39 H THR 6 HN THR 6 3.081 7.826 -0.978 40 HA THR 6 HA THR 6 1.238 6.474 0.933 41 HB THR 6 HB THR 6 1.446 9.019 0.863 42 HG1 THR 6 HG1 THR 6 -0.762 9.272 1.012 43 1HG2 THR 6 HG23 THR 6 1.394 8.639 -1.857 44 2HG2 THR 6 HG22 THR 6 -0.265 9.142 -1.529 45 3HG2 THR 6 HG21 THR 6 1.082 10.177 -1.054 46 H LEU 7 HN LEU 7 -0.889 5.830 -0.091 47 HA LEU 7 HA LEU 7 -0.509 5.254 -3.002 48 1HB LEU 7 HB2 LEU 7 -0.712 3.481 -0.705 49 2HB LEU 7 HB1 LEU 7 -1.962 3.129 -1.900 50 HG LEU 7 HG LEU 7 -0.341 2.867 -3.643 51 1HD1 LEU 7 HD11 LEU 7 1.466 4.181 -1.663 52 2HD1 LEU 7 HD13 LEU 7 2.159 3.099 -2.870 53 3HD1 LEU 7 HD12 LEU 7 1.247 4.515 -3.378 54 1HD2 LEU 7 HD23 LEU 7 -0.502 1.132 -1.573 55 2HD2 LEU 7 HD22 LEU 7 0.552 0.857 -2.961 56 3HD2 LEU 7 HD21 LEU 7 1.211 1.543 -1.475 57 H ALA 8 HN ALA 8 -2.267 5.520 -4.247 58 HA ALA 8 HA ALA 8 -4.806 6.411 -2.906 59 1HB ALA 8 HB2 ALA 8 -3.138 7.369 -5.119 60 2HB ALA 8 HB1 ALA 8 -4.839 7.236 -5.566 61 3HB ALA 8 HB3 ALA 8 -4.363 8.234 -4.191 62 H VAL 9 HN VAL 9 -5.791 4.309 -2.800 63 HA VAL 9 HA VAL 9 -6.254 3.004 -5.462 64 HB VAL 9 HB VAL 9 -5.053 1.498 -4.121 65 1HG1 VAL 9 HG11 VAL 9 -6.735 2.511 -1.818 66 2HG1 VAL 9 HG13 VAL 9 -5.637 1.136 -1.692 67 3HG1 VAL 9 HG12 VAL 9 -5.003 2.741 -2.059 68 1HG2 VAL 9 HG21 VAL 9 -7.255 0.561 -4.945 69 2HG2 VAL 9 HG23 VAL 9 -6.589 -0.270 -3.540 70 3HG2 VAL 9 HG22 VAL 9 -7.914 0.876 -3.340 71 HA PRO 10 HA PRO 10 -10.439 4.403 -4.383 72 1HB PRO 10 HB2 PRO 10 -11.176 4.321 -7.097 73 2HB PRO 10 HB1 PRO 10 -10.626 5.745 -6.207 74 1HG PRO 10 HG2 PRO 10 -9.240 4.268 -8.286 75 2HG PRO 10 HG1 PRO 10 -8.776 5.790 -7.518 76 1HD PRO 10 HD2 PRO 10 -7.646 3.156 -7.090 77 2HD PRO 10 HD1 PRO 10 -7.145 4.700 -6.355 78 H GLY 11 HN GLY 11 -9.183 1.483 -5.323 79 1HA GLY 11 HA2 GLY 11 -11.661 0.187 -6.210 80 2HA GLY 11 HA1 GLY 11 -10.127 -0.621 -5.886 81 H MET 12 HN MET 12 -10.913 1.429 -3.353 82 HA MET 12 HA MET 12 -12.396 -0.682 -1.853 83 1HB MET 12 HB2 MET 12 -10.746 -0.290 0.010 84 2HB MET 12 HB1 MET 12 -10.015 -0.998 -1.433 85 1HG MET 12 HG2 MET 12 -9.541 1.445 -2.140 86 2HG MET 12 HG1 MET 12 -9.858 1.849 -0.455 87 1HE MET 12 HE3 MET 12 -8.781 1.766 1.140 88 2HE MET 12 HE2 MET 12 -7.433 0.758 1.653 89 3HE MET 12 HE1 MET 12 -7.123 2.266 0.793 90 H THR 13 HN THR 13 -13.507 0.210 0.037 91 HA THR 13 HA THR 13 -13.443 2.960 0.815 92 HB THR 13 HB THR 13 -14.215 3.378 -1.441 93 HG1 THR 13 HG1 THR 13 -16.033 4.463 -0.942 94 1HG2 THR 13 HG23 THR 13 -15.062 0.935 -1.636 95 2HG2 THR 13 HG22 THR 13 -16.574 1.563 -0.980 96 3HG2 THR 13 HG21 THR 13 -15.946 2.189 -2.505 97 H CYS 14 HN CYS 14 -13.733 0.352 2.051 98 HA CYS 14 HA CYS 14 -15.954 0.910 3.833 99 1HB CYS 14 HB2 CYS 14 -17.604 -0.324 2.864 100 2HB CYS 14 HB1 CYS 14 -16.618 -0.261 1.411 101 H ALA 15 HN ALA 15 -16.324 -1.319 5.202 102 HA ALA 15 HA ALA 15 -13.667 -2.004 6.227 103 1HB ALA 15 HB3 ALA 15 -15.875 -1.628 7.499 104 2HB ALA 15 HB2 ALA 15 -16.335 -3.238 6.944 105 3HB ALA 15 HB1 ALA 15 -14.922 -3.032 7.980 106 H ALA 16 HN ALA 16 -12.985 -3.041 4.064 107 HA ALA 16 HA ALA 16 -13.091 -5.903 4.248 108 1HB ALA 16 HB3 ALA 16 -15.428 -4.772 3.321 109 2HB ALA 16 HB2 ALA 16 -14.586 -5.172 1.823 110 3HB ALA 16 HB1 ALA 16 -14.921 -6.433 3.010 111 H CYS 17 HN CYS 17 -13.027 -3.355 1.692 112 HA CYS 17 HA CYS 17 -10.859 -4.827 0.313 113 1HB CYS 17 HB2 CYS 17 -12.005 -2.146 -0.480 114 2HB CYS 17 HB1 CYS 17 -11.341 -3.397 -1.506 115 HA PRO 18 HA PRO 18 -8.701 -0.592 1.348 116 1HB PRO 18 HB2 PRO 18 -10.015 0.021 3.895 117 2HB PRO 18 HB1 PRO 18 -9.666 1.098 2.545 118 1HG PRO 18 HG2 PRO 18 -12.174 0.264 3.205 119 2HG PRO 18 HG1 PRO 18 -11.703 0.708 1.563 120 1HD PRO 18 HD2 PRO 18 -12.221 -1.999 2.687 121 2HD PRO 18 HD1 PRO 18 -12.315 -1.433 1.005 122 H ILE 19 HN ILE 19 -9.869 -1.874 4.470 123 HA ILE 19 HA ILE 19 -7.467 -2.124 5.838 124 HB ILE 19 HB ILE 19 -9.848 -3.982 5.646 125 1HG1 ILE 19 HG12 ILE 19 -9.071 -1.761 7.564 126 2HG1 ILE 19 HG11 ILE 19 -10.405 -1.742 6.409 127 1HG2 ILE 19 HG21 ILE 19 -7.803 -5.104 6.577 128 2HG2 ILE 19 HG23 ILE 19 -7.760 -3.872 7.838 129 3HG2 ILE 19 HG22 ILE 19 -9.130 -4.979 7.732 130 1HD1 ILE 19 HD11 ILE 19 -11.230 -3.868 7.647 131 2HD1 ILE 19 HD13 ILE 19 -10.134 -3.364 8.934 132 3HD1 ILE 19 HD12 ILE 19 -11.458 -2.309 8.438 133 H THR 20 HN THR 20 -8.585 -4.117 3.136 134 HA THR 20 HA THR 20 -6.713 -6.291 3.491 135 HB THR 20 HB THR 20 -8.171 -5.226 1.034 136 HG1 THR 20 HG1 THR 20 -9.588 -7.020 1.672 137 1HG2 THR 20 HG22 THR 20 -6.497 -7.626 1.594 138 2HG2 THR 20 HG21 THR 20 -7.962 -7.878 0.645 139 3HG2 THR 20 HG23 THR 20 -6.734 -6.744 0.084 140 H VAL 21 HN VAL 21 -6.726 -3.263 1.712 141 HA VAL 21 HA VAL 21 -4.329 -3.570 0.249 142 HB VAL 21 HB VAL 21 -5.870 -1.241 1.411 143 1HG1 VAL 21 HG12 VAL 21 -3.131 -1.251 0.409 144 2HG1 VAL 21 HG11 VAL 21 -4.174 -0.198 -0.546 145 3HG1 VAL 21 HG13 VAL 21 -4.029 0.048 1.194 146 1HG2 VAL 21 HG21 VAL 21 -5.720 -2.696 -1.166 147 2HG2 VAL 21 HG23 VAL 21 -7.080 -1.852 -0.427 148 3HG2 VAL 21 HG22 VAL 21 -5.842 -0.941 -1.291 149 H LYS 22 HN LYS 22 -5.011 -2.879 3.599 150 HA LYS 22 HA LYS 22 -2.413 -1.840 4.281 151 1HB LYS 22 HB2 LYS 22 -4.336 -1.381 5.681 152 2HB LYS 22 HB1 LYS 22 -4.696 -3.095 5.831 153 1HG LYS 22 HG2 LYS 22 -3.528 -2.990 7.767 154 2HG LYS 22 HG1 LYS 22 -2.099 -2.985 6.736 155 1HD LYS 22 HD2 LYS 22 -2.001 -0.576 6.758 156 2HD LYS 22 HD1 LYS 22 -3.561 -0.470 7.574 157 1HE LYS 22 HE2 LYS 22 -1.075 -1.767 8.753 158 2HE LYS 22 HE1 LYS 22 -1.695 -0.162 9.186 159 1HZ LYS 22 HZ3 LYS 22 -3.900 -1.739 9.302 160 2HZ LYS 22 HZ2 LYS 22 -2.692 -2.760 9.922 161 3HZ LYS 22 HZ1 LYS 22 -2.981 -1.248 10.640 162 H LYS 23 HN LYS 23 -3.992 -5.022 4.470 163 HA LYS 23 HA LYS 23 -1.747 -6.360 5.626 164 1HB LYS 23 HB2 LYS 23 -3.961 -7.318 5.710 165 2HB LYS 23 HB1 LYS 23 -4.089 -7.279 3.951 166 1HG LYS 23 HG2 LYS 23 -3.523 -9.552 4.949 167 2HG LYS 23 HG1 LYS 23 -2.417 -8.978 3.701 168 1HD LYS 23 HD2 LYS 23 -0.682 -8.886 5.146 169 2HD LYS 23 HD1 LYS 23 -1.649 -8.059 6.368 170 1HE LYS 23 HE2 LYS 23 -2.527 -10.813 6.100 171 2HE LYS 23 HE1 LYS 23 -0.790 -10.738 6.463 172 1HZ LYS 23 HZ3 LYS 23 -2.832 -9.114 7.878 173 2HZ LYS 23 HZ2 LYS 23 -2.261 -10.605 8.460 174 3HZ LYS 23 HZ1 LYS 23 -1.196 -9.293 8.287 175 H ALA 24 HN ALA 24 -2.555 -5.440 2.389 176 HA ALA 24 HA ALA 24 -0.817 -7.183 0.950 177 1HB ALA 24 HB1 ALA 24 -2.734 -5.277 0.420 178 2HB ALA 24 HB3 ALA 24 -1.258 -4.494 -0.146 179 3HB ALA 24 HB2 ALA 24 -1.731 -6.061 -0.801 180 H LEU 25 HN LEU 25 -0.362 -3.800 2.052 181 HA LEU 25 HA LEU 25 2.383 -3.639 1.114 182 1HB LEU 25 HB2 LEU 25 1.048 -2.025 3.299 183 2HB LEU 25 HB1 LEU 25 2.327 -1.504 2.206 184 HG LEU 25 HG LEU 25 -0.006 -2.442 0.742 185 1HD1 LEU 25 HD12 LEU 25 -0.988 -1.550 2.946 186 2HD1 LEU 25 HD11 LEU 25 -0.412 0.033 2.423 187 3HD1 LEU 25 HD13 LEU 25 -1.603 -0.836 1.455 188 1HD2 LEU 25 HD22 LEU 25 1.857 -1.054 -0.159 189 2HD2 LEU 25 HD21 LEU 25 0.291 -0.270 -0.369 190 3HD2 LEU 25 HD23 LEU 25 1.376 0.257 0.918 191 H SER 26 HN SER 26 0.876 -4.249 4.270 192 HA SER 26 HA SER 26 3.246 -4.310 5.845 193 1HB SER 26 HB2 SER 26 0.575 -4.431 6.282 194 2HB SER 26 HB1 SER 26 0.979 -6.135 6.477 195 HG SER 26 HG SER 26 2.632 -4.251 7.700 196 H LYS 27 HN LYS 27 1.819 -6.594 3.625 197 HA LYS 27 HA LYS 27 3.937 -8.526 4.415 198 1HB LYS 27 HB2 LYS 27 2.341 -10.132 4.586 199 2HB LYS 27 HB1 LYS 27 1.181 -8.811 4.553 200 1HG LYS 27 HG2 LYS 27 2.184 -10.332 2.124 201 2HG LYS 27 HG1 LYS 27 0.608 -10.538 2.884 202 1HD LYS 27 HD2 LYS 27 -0.232 -8.707 1.868 203 2HD LYS 27 HD1 LYS 27 1.183 -7.741 2.283 204 1HE LYS 27 HE2 LYS 27 1.143 -7.859 -0.121 205 2HE LYS 27 HE1 LYS 27 2.399 -9.004 0.390 206 1HZ LYS 27 HZ1 LYS 27 0.677 -10.750 0.414 207 2HZ LYS 27 HZ3 LYS 27 -0.435 -9.645 -0.235 208 3HZ LYS 27 HZ2 LYS 27 0.929 -10.106 -1.138 209 H VAL 28 HN VAL 28 3.308 -6.332 2.121 210 HA VAL 28 HA VAL 28 3.325 -7.574 -0.389 211 HB VAL 28 HB VAL 28 3.187 -5.147 0.041 212 1HG1 VAL 28 HG13 VAL 28 5.071 -5.288 1.808 213 2HG1 VAL 28 HG12 VAL 28 6.177 -5.156 0.441 214 3HG1 VAL 28 HG11 VAL 28 5.028 -3.860 0.774 215 1HG2 VAL 28 HG21 VAL 28 5.487 -6.018 -1.735 216 2HG2 VAL 28 HG23 VAL 28 3.798 -5.843 -2.209 217 3HG2 VAL 28 HG22 VAL 28 4.747 -4.418 -1.786 218 H GLU 29 HN GLU 29 6.190 -6.822 1.643 219 HA GLU 29 HA GLU 29 7.650 -9.154 1.153 220 1HB GLU 29 HB2 GLU 29 7.466 -7.327 -1.136 221 2HB GLU 29 HB1 GLU 29 9.131 -7.735 -0.716 222 1HG GLU 29 HG2 GLU 29 7.605 -10.124 -0.521 223 2HG GLU 29 HG1 GLU 29 7.183 -9.358 -2.052 224 H GLY 30 HN GLY 30 9.085 -6.064 0.244 225 1HA GLY 30 HA2 GLY 30 10.917 -6.247 2.530 226 2HA GLY 30 HA1 GLY 30 11.005 -5.068 1.226 227 H VAL 31 HN VAL 31 7.852 -5.013 2.247 228 HA VAL 31 HA VAL 31 7.799 -2.422 3.259 229 HB VAL 31 HB VAL 31 5.846 -3.898 2.782 230 1HG1 VAL 31 HG13 VAL 31 7.128 -5.647 4.511 231 2HG1 VAL 31 HG12 VAL 31 5.783 -5.042 5.479 232 3HG1 VAL 31 HG11 VAL 31 5.473 -5.818 3.926 233 1HG2 VAL 31 HG21 VAL 31 5.972 -1.814 4.461 234 2HG2 VAL 31 HG23 VAL 31 4.476 -2.714 4.217 235 3HG2 VAL 31 HG22 VAL 31 5.487 -3.049 5.623 236 H SER 32 HN SER 32 8.639 -1.465 4.995 237 HA SER 32 HA SER 32 9.617 -3.160 7.254 238 1HB SER 32 HB2 SER 32 10.750 -1.089 5.632 239 2HB SER 32 HB1 SER 32 10.645 -0.491 7.286 240 HG SER 32 HG SER 32 12.469 -2.050 6.348 241 H LYS 33 HN LYS 33 7.344 -0.810 6.295 242 HA LYS 33 HA LYS 33 6.232 -0.678 9.009 243 1HB LYS 33 HB2 LYS 33 7.714 1.023 9.493 244 2HB LYS 33 HB1 LYS 33 7.912 1.472 7.805 245 1HG LYS 33 HG2 LYS 33 5.938 2.763 7.790 246 2HG LYS 33 HG1 LYS 33 5.301 1.965 9.229 247 1HD LYS 33 HD2 LYS 33 7.375 2.963 10.434 248 2HD LYS 33 HD1 LYS 33 7.482 4.035 9.038 249 1HE LYS 33 HE2 LYS 33 4.755 3.818 10.138 250 2HE LYS 33 HE1 LYS 33 5.930 4.542 11.255 251 1HZ LYS 33 HZ3 LYS 33 6.043 5.326 8.437 252 2HZ LYS 33 HZ2 LYS 33 4.787 5.972 9.381 253 3HZ LYS 33 HZ1 LYS 33 6.406 6.232 9.824 254 H VAL 34 HN VAL 34 4.121 0.523 8.970 255 HA VAL 34 HA VAL 34 3.081 1.170 6.266 256 HB VAL 34 HB VAL 34 2.838 -1.265 6.572 257 1HG1 VAL 34 HG13 VAL 34 2.776 -1.079 9.110 258 2HG1 VAL 34 HG12 VAL 34 1.083 -0.610 8.951 259 3HG1 VAL 34 HG11 VAL 34 1.612 -2.202 8.406 260 1HG2 VAL 34 HG21 VAL 34 0.836 0.531 5.864 261 2HG2 VAL 34 HG23 VAL 34 0.806 -1.208 5.575 262 3HG2 VAL 34 HG22 VAL 34 0.036 -0.540 7.015 263 H ASP 35 HN ASP 35 1.082 2.355 6.350 264 HA ASP 35 HA ASP 35 -0.271 2.957 8.847 265 1HB ASP 35 HB2 ASP 35 1.808 4.224 9.187 266 2HB ASP 35 HB1 ASP 35 1.635 4.974 7.600 267 H VAL 36 HN VAL 36 -1.924 2.264 7.280 268 HA VAL 36 HA VAL 36 -2.464 4.228 5.096 269 HB VAL 36 HB VAL 36 -3.620 2.374 4.068 270 1HG1 VAL 36 HG12 VAL 36 -1.021 2.384 4.282 271 2HG1 VAL 36 HG11 VAL 36 -1.266 1.058 5.417 272 3HG1 VAL 36 HG13 VAL 36 -1.808 0.900 3.747 273 1HG2 VAL 36 HG22 VAL 36 -3.658 1.402 6.866 274 2HG2 VAL 36 HG21 VAL 36 -4.847 1.182 5.582 275 3HG2 VAL 36 HG23 VAL 36 -3.405 0.170 5.633 276 H GLY 37 HN GLY 37 -5.096 3.640 4.666 277 1HA GLY 37 HA2 GLY 37 -6.603 4.070 7.162 278 2HA GLY 37 HA1 GLY 37 -6.685 5.356 5.949 279 H PHE 38 HN PHE 38 -7.594 2.083 6.692 280 HA PHE 38 HA PHE 38 -8.501 1.196 4.196 281 1HB PHE 38 HB2 PHE 38 -10.252 -0.028 5.751 282 2HB PHE 38 HB1 PHE 38 -8.545 -0.426 5.867 283 HD1 PHE 38 HD2 PHE 38 -11.390 1.245 7.507 284 HD2 PHE 38 HD1 PHE 38 -7.217 0.268 7.821 285 HE1 PHE 38 HE2 PHE 38 -11.438 1.810 9.920 286 HE2 PHE 38 HE1 PHE 38 -7.271 0.823 10.237 287 HZ PHE 38 HZ PHE 38 -9.380 1.597 11.285 288 H GLU 39 HN GLU 39 -10.416 2.869 6.682 289 HA GLU 39 HA GLU 39 -12.731 3.257 5.015 290 1HB GLU 39 HB2 GLU 39 -12.612 3.278 7.523 291 2HB GLU 39 HB1 GLU 39 -11.771 4.825 7.428 292 1HG GLU 39 HG2 GLU 39 -13.709 5.782 6.207 293 2HG GLU 39 HG1 GLU 39 -14.555 4.244 6.374 294 H LYS 40 HN LYS 40 -9.720 5.006 5.409 295 HA LYS 40 HA LYS 40 -10.753 7.408 4.008 296 1HB LYS 40 HB2 LYS 40 -8.594 6.666 5.799 297 2HB LYS 40 HB1 LYS 40 -7.964 7.539 4.401 298 1HG LYS 40 HG2 LYS 40 -10.429 8.714 5.466 299 2HG LYS 40 HG1 LYS 40 -9.105 8.710 6.633 300 1HD LYS 40 HD2 LYS 40 -8.279 10.519 5.571 301 2HD LYS 40 HD1 LYS 40 -7.923 9.465 4.202 302 1HE LYS 40 HE2 LYS 40 -9.331 10.893 3.078 303 2HE LYS 40 HE1 LYS 40 -10.604 9.915 3.835 304 1HZ LYS 40 HZ1 LYS 40 -9.955 11.536 5.843 305 2HZ LYS 40 HZ3 LYS 40 -9.655 12.572 4.535 306 3HZ LYS 40 HZ2 LYS 40 -11.195 11.883 4.735 307 H ARG 41 HN ARG 41 -9.683 4.412 3.078 308 HA ARG 41 HA ARG 41 -8.680 3.557 1.123 309 1HB ARG 41 HB2 ARG 41 -10.814 4.676 0.424 310 2HB ARG 41 HB1 ARG 41 -9.862 6.097 0.013 311 1HG ARG 41 HG2 ARG 41 -8.897 3.520 -1.103 312 2HG ARG 41 HG1 ARG 41 -10.422 4.091 -1.753 313 1HD ARG 41 HD2 ARG 41 -7.693 5.358 -1.943 314 2HD ARG 41 HD1 ARG 41 -8.878 5.091 -3.223 315 HE ARG 41 HE ARG 41 -8.671 7.438 -1.572 316 1HH1 ARG 41 HH21 ARG 41 -11.040 5.280 -2.867 317 2HH1 ARG 41 HH22 ARG 41 -12.355 6.365 -2.589 318 1HH2 ARG 41 HH11 ARG 41 -10.372 8.856 -1.232 319 2HH2 ARG 41 HH12 ARG 41 -11.980 8.385 -1.669 320 H GLU 42 HN GLU 42 -6.559 4.262 2.241 321 HA GLU 42 HA GLU 42 -4.892 5.554 0.216 322 1HB GLU 42 HB2 GLU 42 -6.249 7.250 1.903 323 2HB GLU 42 HB1 GLU 42 -4.724 7.046 2.765 324 1HG GLU 42 HG2 GLU 42 -3.490 8.064 1.110 325 2HG GLU 42 HG1 GLU 42 -4.573 7.525 -0.174 326 H ALA 43 HN ALA 43 -3.045 4.278 0.367 327 HA ALA 43 HA ALA 43 -2.334 3.215 3.061 328 1HB ALA 43 HB3 ALA 43 -2.224 2.290 0.253 329 2HB ALA 43 HB2 ALA 43 -0.892 1.768 1.284 330 3HB ALA 43 HB1 ALA 43 -2.554 1.374 1.723 331 H VAL 44 HN VAL 44 -0.649 4.205 4.083 332 HA VAL 44 HA VAL 44 1.512 5.417 2.398 333 HB VAL 44 HB VAL 44 0.058 6.166 4.862 334 1HG1 VAL 44 HG11 VAL 44 3.065 6.447 4.651 335 2HG1 VAL 44 HG13 VAL 44 2.086 7.485 5.688 336 3HG1 VAL 44 HG12 VAL 44 2.140 5.746 5.978 337 1HG2 VAL 44 HG21 VAL 44 0.083 7.370 2.622 338 2HG2 VAL 44 HG23 VAL 44 0.407 8.379 4.031 339 3HG2 VAL 44 HG22 VAL 44 1.737 7.852 3.000 340 H VAL 45 HN VAL 45 3.113 3.907 2.233 341 HA VAL 45 HA VAL 45 3.786 2.419 4.767 342 HB VAL 45 HB VAL 45 3.708 1.428 1.908 343 1HG1 VAL 45 HG12 VAL 45 5.212 0.469 4.046 344 2HG1 VAL 45 HG11 VAL 45 3.768 -0.541 4.065 345 3HG1 VAL 45 HG13 VAL 45 4.758 -0.445 2.609 346 1HG2 VAL 45 HG22 VAL 45 1.764 1.491 4.147 347 2HG2 VAL 45 HG21 VAL 45 1.476 1.397 2.409 348 3HG2 VAL 45 HG23 VAL 45 1.909 -0.055 3.312 349 H THR 46 HN THR 46 5.904 1.854 5.104 350 HA THR 46 HA THR 46 7.980 3.249 3.449 351 HB THR 46 HB THR 46 7.637 2.514 6.355 352 HG1 THR 46 HG1 THR 46 8.279 4.673 6.586 353 1HG2 THR 46 HG23 THR 46 10.267 3.088 4.961 354 2HG2 THR 46 HG22 THR 46 10.046 3.044 6.710 355 3HG2 THR 46 HG21 THR 46 9.813 1.580 5.754 356 H PHE 47 HN PHE 47 9.980 1.909 3.136 357 HA PHE 47 HA PHE 47 9.956 -0.899 3.837 358 1HB PHE 47 HB2 PHE 47 9.479 -1.737 1.576 359 2HB PHE 47 HB1 PHE 47 8.134 -0.746 2.147 360 HD1 PHE 47 HD2 PHE 47 11.074 -0.855 -0.116 361 HD2 PHE 47 HD1 PHE 47 7.677 1.443 1.201 362 HE1 PHE 47 HE2 PHE 47 11.364 0.680 -2.030 363 HE2 PHE 47 HE1 PHE 47 7.973 2.970 -0.728 364 HZ PHE 47 HZ PHE 47 9.812 2.585 -2.342 365 H ASP 48 HN ASP 48 11.498 -2.051 2.141 366 HA ASP 48 HA ASP 48 13.901 -0.307 1.916 367 1HB ASP 48 HB2 ASP 48 13.667 -3.334 1.879 368 2HB ASP 48 HB1 ASP 48 15.140 -2.390 2.104 369 H ASP 49 HN ASP 49 14.454 0.235 -0.168 370 HA ASP 49 HA ASP 49 12.820 -0.741 -2.352 371 1HB ASP 49 HB2 ASP 49 13.964 0.915 -3.602 372 2HB ASP 49 HB1 ASP 49 13.941 1.551 -1.957 373 H THR 50 HN THR 50 15.062 -2.490 -0.824 374 HA THR 50 HA THR 50 16.630 -3.426 -3.139 375 HB THR 50 HB THR 50 17.586 -4.935 -1.382 376 HG1 THR 50 HG1 THR 50 16.390 -5.283 0.286 377 1HG2 THR 50 HG23 THR 50 17.324 -1.987 -0.772 378 2HG2 THR 50 HG22 THR 50 18.414 -3.051 0.117 379 3HG2 THR 50 HG21 THR 50 18.641 -2.801 -1.614 380 H LYS 51 HN LYS 51 13.937 -4.514 -1.096 381 HA LYS 51 HA LYS 51 13.544 -6.829 -2.960 382 1HB LYS 51 HB2 LYS 51 13.200 -6.438 0.006 383 2HB LYS 51 HB1 LYS 51 12.294 -7.702 -0.828 384 1HG LYS 51 HG2 LYS 51 14.279 -8.804 -1.540 385 2HG LYS 51 HG1 LYS 51 15.287 -7.415 -1.132 386 1HD LYS 51 HD2 LYS 51 15.576 -9.077 0.602 387 2HD LYS 51 HD1 LYS 51 14.639 -7.744 1.277 388 1HE LYS 51 HE2 LYS 51 12.539 -9.035 0.781 389 2HE LYS 51 HE1 LYS 51 13.556 -10.404 0.290 390 1HZ LYS 51 HZ2 LYS 51 14.715 -10.139 2.477 391 2HZ LYS 51 HZ1 LYS 51 13.482 -9.066 2.937 392 3HZ LYS 51 HZ3 LYS 51 13.110 -10.684 2.589 393 H ALA 52 HN ALA 52 12.271 -3.903 -1.817 394 HA ALA 52 HA ALA 52 9.626 -4.529 -3.063 395 1HB ALA 52 HB2 ALA 52 10.262 -3.965 -0.309 396 2HB ALA 52 HB1 ALA 52 9.263 -2.662 -0.952 397 3HB ALA 52 HB3 ALA 52 8.688 -4.329 -1.018 398 H SER 53 HN SER 53 8.428 -2.156 -3.059 399 HA SER 53 HA SER 53 10.067 0.169 -3.475 400 1HB SER 53 HB2 SER 53 10.670 -1.544 -5.353 401 2HB SER 53 HB1 SER 53 9.114 -1.088 -6.041 402 HG SER 53 HG SER 53 11.440 0.222 -6.128 403 H VAL 54 HN VAL 54 8.733 1.994 -4.143 404 HA VAL 54 HA VAL 54 6.131 2.176 -3.289 405 HB VAL 54 HB VAL 54 6.015 4.066 -4.894 406 1HG1 VAL 54 HG12 VAL 54 7.416 4.159 -2.784 407 2HG1 VAL 54 HG11 VAL 54 8.817 3.808 -3.796 408 3HG1 VAL 54 HG13 VAL 54 7.896 5.288 -4.051 409 1HG2 VAL 54 HG21 VAL 54 8.286 2.542 -6.122 410 2HG2 VAL 54 HG23 VAL 54 6.910 3.314 -6.912 411 3HG2 VAL 54 HG22 VAL 54 8.234 4.297 -6.288 412 H GLN 55 HN GLN 55 7.265 1.005 -6.444 413 HA GLN 55 HA GLN 55 4.689 0.695 -7.672 414 1HB GLN 55 HB2 GLN 55 7.243 0.529 -8.476 415 2HB GLN 55 HB1 GLN 55 6.949 -1.191 -8.216 416 1HG GLN 55 HG2 GLN 55 5.358 -1.316 -9.893 417 2HG GLN 55 HG1 GLN 55 4.904 0.382 -9.732 418 1HE2 GLN 55 HE22 GLN 55 8.564 -0.016 -11.515 419 2HE2 GLN 55 HE21 GLN 55 8.281 -0.698 -9.987 420 H LYS 56 HN LYS 56 6.776 -1.580 -5.866 421 HA LYS 56 HA LYS 56 5.033 -3.834 -5.962 422 1HB LYS 56 HB2 LYS 56 7.467 -2.941 -4.654 423 2HB LYS 56 HB1 LYS 56 6.477 -3.895 -3.549 424 1HG LYS 56 HG2 LYS 56 6.664 -5.810 -4.808 425 2HG LYS 56 HG1 LYS 56 6.767 -4.924 -6.330 426 1HD LYS 56 HD2 LYS 56 9.068 -4.092 -5.246 427 2HD LYS 56 HD1 LYS 56 8.928 -5.633 -4.398 428 1HE LYS 56 HE2 LYS 56 8.565 -5.466 -7.397 429 2HE LYS 56 HE1 LYS 56 10.168 -5.680 -6.664 430 1HZ LYS 56 HZ1 LYS 56 7.849 -7.340 -5.872 431 2HZ LYS 56 HZ3 LYS 56 8.857 -7.784 -7.162 432 3HZ LYS 56 HZ2 LYS 56 9.500 -7.635 -5.597 433 H LEU 57 HN LEU 57 4.996 -0.948 -3.914 434 HA LEU 57 HA LEU 57 3.268 -2.032 -1.852 435 1HB LEU 57 HB2 LEU 57 3.588 0.834 -2.817 436 2HB LEU 57 HB1 LEU 57 3.061 0.314 -1.218 437 HG LEU 57 HG LEU 57 5.794 -0.289 -2.389 438 1HD1 LEU 57 HD11 LEU 57 4.883 2.170 -1.541 439 2HD1 LEU 57 HD13 LEU 57 5.602 1.503 -0.075 440 3HD1 LEU 57 HD12 LEU 57 6.570 1.657 -1.541 441 1HD2 LEU 57 HD23 LEU 57 4.467 -0.772 0.278 442 2HD2 LEU 57 HD22 LEU 57 5.298 -1.933 -0.757 443 3HD2 LEU 57 HD21 LEU 57 6.222 -0.713 0.120 444 H THR 58 HN THR 58 2.668 0.132 -4.619 445 HA THR 58 HA THR 58 -0.201 0.034 -4.495 446 HB THR 58 HB THR 58 1.357 0.413 -7.035 447 HG1 THR 58 HG1 THR 58 1.670 1.809 -4.641 448 1HG2 THR 58 HG21 THR 58 -0.992 1.717 -5.666 449 2HG2 THR 58 HG23 THR 58 -0.161 2.507 -7.006 450 3HG2 THR 58 HG22 THR 58 -0.934 0.941 -7.249 451 H LYS 59 HN LYS 59 2.227 -2.162 -5.567 452 HA LYS 59 HA LYS 59 0.482 -3.647 -7.415 453 1HB LYS 59 HB2 LYS 59 3.050 -3.259 -7.513 454 2HB LYS 59 HB1 LYS 59 3.143 -4.515 -6.278 455 1HG LYS 59 HG2 LYS 59 1.569 -5.830 -7.946 456 2HG LYS 59 HG1 LYS 59 2.260 -4.724 -9.134 457 1HD LYS 59 HD2 LYS 59 3.790 -6.475 -9.218 458 2HD LYS 59 HD1 LYS 59 4.543 -5.423 -8.018 459 1HE LYS 59 HE2 LYS 59 4.067 -6.855 -6.266 460 2HE LYS 59 HE1 LYS 59 2.574 -7.445 -7.023 461 1HZ LYS 59 HZ3 LYS 59 4.173 -8.334 -8.818 462 2HZ LYS 59 HZ2 LYS 59 5.367 -8.186 -7.618 463 3HZ LYS 59 HZ1 LYS 59 4.025 -9.198 -7.366 464 H ALA 60 HN ALA 60 1.358 -3.642 -4.038 465 HA ALA 60 HA ALA 60 0.599 -6.422 -3.538 466 1HB ALA 60 HB1 ALA 60 1.932 -4.336 -2.220 467 2HB ALA 60 HB3 ALA 60 0.454 -4.563 -1.285 468 3HB ALA 60 HB2 ALA 60 1.557 -5.917 -1.533 469 H THR 61 HN THR 61 -0.919 -3.228 -3.259 470 HA THR 61 HA THR 61 -3.463 -4.367 -2.292 471 HB THR 61 HB THR 61 -2.827 -2.167 -1.576 472 HG1 THR 61 HG1 THR 61 -4.534 -0.896 -2.684 473 1HG2 THR 61 HG22 THR 61 -2.405 -1.620 -4.509 474 2HG2 THR 61 HG21 THR 61 -2.586 -0.322 -3.331 475 3HG2 THR 61 HG23 THR 61 -1.245 -1.453 -3.191 476 H ALA 62 HN ALA 62 -2.006 -3.224 -5.297 477 HA ALA 62 HA ALA 62 -4.353 -3.426 -6.948 478 1HB ALA 62 HB1 ALA 62 -1.380 -3.720 -7.517 479 2HB ALA 62 HB3 ALA 62 -2.615 -3.530 -8.761 480 3HB ALA 62 HB2 ALA 62 -2.313 -2.226 -7.613 481 H ASP 63 HN ASP 63 -2.015 -5.681 -5.630 482 HA ASP 63 HA ASP 63 -2.909 -7.918 -7.325 483 1HB ASP 63 HB2 ASP 63 -0.922 -7.416 -5.123 484 2HB ASP 63 HB1 ASP 63 -1.373 -9.079 -5.499 485 H ALA 64 HN ALA 64 -3.743 -6.416 -4.303 486 HA ALA 64 HA ALA 64 -5.022 -8.740 -3.096 487 1HB ALA 64 HB2 ALA 64 -4.142 -6.460 -2.103 488 2HB ALA 64 HB1 ALA 64 -5.737 -5.862 -2.563 489 3HB ALA 64 HB3 ALA 64 -5.591 -7.194 -1.416 490 H GLY 65 HN GLY 65 -5.766 -6.432 -5.536 491 1HA GLY 65 HA2 GLY 65 -7.638 -7.028 -7.072 492 2HA GLY 65 HA1 GLY 65 -8.573 -7.441 -5.635 493 H TYR 66 HN TYR 66 -6.453 -4.682 -5.701 494 HA TYR 66 HA TYR 66 -8.833 -2.873 -5.901 495 1HB TYR 66 HB2 TYR 66 -6.564 -2.791 -3.885 496 2HB TYR 66 HB1 TYR 66 -7.957 -1.705 -3.927 497 HD1 TYR 66 HD1 TYR 66 -10.170 -3.423 -4.564 498 HD2 TYR 66 HD2 TYR 66 -6.828 -4.199 -1.965 499 HE1 TYR 66 HE1 TYR 66 -11.523 -5.090 -3.317 500 HE2 TYR 66 HE2 TYR 66 -8.185 -5.855 -0.724 501 HH TYR 66 HH TYR 66 -11.522 -6.094 -1.004 502 HA PRO 67 HA PRO 67 -5.869 -1.311 -9.001 503 1HB PRO 67 HB2 PRO 67 -7.855 0.824 -9.258 504 2HB PRO 67 HB1 PRO 67 -7.360 -0.375 -10.458 505 1HG PRO 67 HG2 PRO 67 -9.801 -0.320 -8.987 506 2HG PRO 67 HG1 PRO 67 -9.245 -1.581 -10.091 507 1HD PRO 67 HD2 PRO 67 -9.508 -1.752 -7.234 508 2HD PRO 67 HD1 PRO 67 -8.865 -2.994 -8.337 509 H SER 68 HN SER 68 -4.258 -0.553 -7.578 510 HA SER 68 HA SER 68 -4.900 1.844 -5.934 511 1HB SER 68 HB2 SER 68 -3.122 1.085 -4.534 512 2HB SER 68 HB1 SER 68 -4.037 -0.349 -4.989 513 HG SER 68 HG SER 68 -2.453 -0.429 -6.810 514 H SER 69 HN SER 69 -3.342 3.555 -5.787 515 HA SER 69 HA SER 69 -1.511 3.800 -8.144 516 1HB SER 69 HB2 SER 69 -3.822 5.120 -7.939 517 2HB SER 69 HB1 SER 69 -2.874 6.157 -6.877 518 HG SER 69 HG SER 69 -1.924 6.932 -8.577 519 H VAL 70 HN VAL 70 -0.005 5.881 -7.503 520 HA VAL 70 HA VAL 70 0.699 5.678 -4.620 521 HB VAL 70 HB VAL 70 1.786 4.034 -6.271 522 1HG1 VAL 70 HG11 VAL 70 2.304 6.330 -7.688 523 2HG1 VAL 70 HG13 VAL 70 3.843 6.062 -6.870 524 3HG1 VAL 70 HG12 VAL 70 3.165 4.806 -7.906 525 1HG2 VAL 70 HG22 VAL 70 2.760 5.411 -3.975 526 2HG2 VAL 70 HG21 VAL 70 3.243 3.817 -4.558 527 3HG2 VAL 70 HG23 VAL 70 4.113 5.254 -5.094 528 H LYS 71 HN LYS 71 1.846 7.532 -3.807 529 HA LYS 71 HA LYS 71 2.730 9.644 -5.639 530 1HB LYS 71 HB2 LYS 71 0.930 11.246 -4.910 531 2HB LYS 71 HB1 LYS 71 0.334 9.895 -5.877 532 1HG LYS 71 HG2 LYS 71 0.168 8.816 -3.392 533 2HG LYS 71 HG1 LYS 71 -0.125 10.515 -3.017 534 1HD LYS 71 HD2 LYS 71 -1.581 9.821 -5.390 535 2HD LYS 71 HD1 LYS 71 -1.947 8.644 -4.128 536 1HE LYS 71 HE2 LYS 71 -1.910 11.548 -3.375 537 2HE LYS 71 HE1 LYS 71 -3.317 10.917 -4.254 538 1HZ LYS 71 HZ1 LYS 71 -2.134 9.629 -1.853 539 2HZ LYS 71 HZ3 LYS 71 -3.488 10.649 -1.807 540 3HZ LYS 71 HZ2 LYS 71 -3.563 9.177 -2.653 541 H GLN 72 HN GLN 72 4.140 8.490 -3.594 542 HA GLN 72 HA GLN 72 5.180 8.894 -1.481 543 1HB GLN 72 HB2 GLN 72 5.852 10.569 -3.439 544 2HB GLN 72 HB1 GLN 72 5.143 11.756 -2.342 545 1HG GLN 72 HG2 GLN 72 6.645 11.097 -0.559 546 2HG GLN 72 HG1 GLN 72 7.271 9.760 -1.525 547 1HE2 GLN 72 HE21 GLN 72 6.716 13.279 -2.156 548 2HE2 GLN 72 HE22 GLN 72 8.263 13.552 -2.798 No H/Q in entry = 548 Start of MODEL 16 1 1H ALA 1 HT3 ALA 1 18.211 2.130 1.532 2 2H ALA 1 HT2 ALA 1 18.818 2.213 -0.052 3 3H ALA 1 HT1 ALA 1 17.667 3.343 0.480 4 HA ALA 1 HA ALA 1 16.505 1.787 -0.878 5 1HB ALA 1 HB2 ALA 1 18.245 -0.059 0.733 6 2HB ALA 1 HB1 ALA 1 16.765 -0.680 0.001 7 3HB ALA 1 HB3 ALA 1 18.028 0.015 -1.015 8 H THR 2 HN THR 2 15.599 3.382 1.108 9 HA THR 2 HA THR 2 13.619 1.717 2.530 10 HB THR 2 HB THR 2 14.300 3.756 4.284 11 HG1 THR 2 HG1 THR 2 16.350 4.137 4.108 12 1HG2 THR 2 HG22 THR 2 14.606 0.846 4.100 13 2HG2 THR 2 HG21 THR 2 15.769 1.610 5.184 14 3HG2 THR 2 HG23 THR 2 14.040 1.834 5.447 15 H GLN 3 HN GLN 3 12.245 2.611 0.848 16 HA GLN 3 HA GLN 3 11.866 5.581 0.951 17 1HB GLN 3 HB2 GLN 3 10.862 3.596 -1.097 18 2HB GLN 3 HB1 GLN 3 11.010 5.339 -1.284 19 1HG GLN 3 HG2 GLN 3 13.533 4.029 -0.533 20 2HG GLN 3 HG1 GLN 3 12.896 3.488 -2.085 21 1HE2 GLN 3 HE22 GLN 3 13.479 7.551 -1.786 22 2HE2 GLN 3 HE21 GLN 3 12.748 6.724 -0.496 23 H THR 4 HN THR 4 9.724 6.434 1.067 24 HA THR 4 HA THR 4 7.587 4.516 1.916 25 HB THR 4 HB THR 4 8.231 7.184 3.211 26 HG1 THR 4 HG1 THR 4 9.713 6.178 4.268 27 1HG2 THR 4 HG21 THR 4 5.912 6.348 3.467 28 2HG2 THR 4 HG23 THR 4 6.543 4.839 4.127 29 3HG2 THR 4 HG22 THR 4 6.780 6.351 5.003 30 H VAL 5 HN VAL 5 5.665 4.943 0.895 31 HA VAL 5 HA VAL 5 5.232 7.675 -0.276 32 HB VAL 5 HB VAL 5 4.477 6.579 -2.327 33 1HG1 VAL 5 HG11 VAL 5 7.125 6.642 -1.346 34 2HG1 VAL 5 HG13 VAL 5 6.948 5.090 -2.166 35 3HG1 VAL 5 HG12 VAL 5 6.612 6.590 -3.032 36 1HG2 VAL 5 HG21 VAL 5 4.552 4.237 -0.571 37 2HG2 VAL 5 HG23 VAL 5 3.670 4.476 -2.080 38 3HG2 VAL 5 HG22 VAL 5 5.353 3.948 -2.115 39 H THR 6 HN THR 6 2.899 7.858 -0.977 40 HA THR 6 HA THR 6 1.134 6.628 1.075 41 HB THR 6 HB THR 6 -0.251 8.694 0.076 42 HG1 THR 6 HG1 THR 6 1.509 8.976 -1.492 43 1HG2 THR 6 HG21 THR 6 1.680 8.359 2.216 44 2HG2 THR 6 HG23 THR 6 1.607 10.033 1.666 45 3HG2 THR 6 HG22 THR 6 0.143 9.225 2.227 46 H LEU 7 HN LEU 7 -0.962 5.841 0.240 47 HA LEU 7 HA LEU 7 -0.911 5.425 -2.728 48 1HB LEU 7 HB2 LEU 7 -0.721 3.506 -0.576 49 2HB LEU 7 HB1 LEU 7 -2.168 3.194 -1.527 50 HG LEU 7 HG LEU 7 -0.862 3.116 -3.573 51 1HD1 LEU 7 HD11 LEU 7 1.373 3.981 -1.745 52 2HD1 LEU 7 HD13 LEU 7 1.683 3.237 -3.313 53 3HD1 LEU 7 HD12 LEU 7 0.804 4.758 -3.217 54 1HD2 LEU 7 HD22 LEU 7 0.195 1.497 -1.257 55 2HD2 LEU 7 HD21 LEU 7 -0.880 0.975 -2.553 56 3HD2 LEU 7 HD23 LEU 7 0.829 1.266 -2.885 57 H ALA 8 HN ALA 8 -2.945 5.060 -3.683 58 HA ALA 8 HA ALA 8 -5.304 6.017 -2.087 59 1HB ALA 8 HB2 ALA 8 -3.927 7.172 -4.323 60 2HB ALA 8 HB1 ALA 8 -5.535 6.683 -4.860 61 3HB ALA 8 HB3 ALA 8 -5.358 7.787 -3.496 62 H VAL 9 HN VAL 9 -6.622 4.215 -1.948 63 HA VAL 9 HA VAL 9 -6.845 2.487 -4.396 64 HB VAL 9 HB VAL 9 -7.243 1.874 -1.453 65 1HG1 VAL 9 HG11 VAL 9 -8.485 0.568 -3.390 66 2HG1 VAL 9 HG13 VAL 9 -6.903 -0.180 -3.604 67 3HG1 VAL 9 HG12 VAL 9 -7.736 -0.310 -2.056 68 1HG2 VAL 9 HG23 VAL 9 -4.871 2.304 -2.753 69 2HG2 VAL 9 HG22 VAL 9 -5.058 1.221 -1.373 70 3HG2 VAL 9 HG21 VAL 9 -5.094 0.574 -3.014 71 HA PRO 10 HA PRO 10 -10.992 4.529 -3.649 72 1HB PRO 10 HB2 PRO 10 -11.275 4.858 -6.453 73 2HB PRO 10 HB1 PRO 10 -10.894 6.112 -5.269 74 1HG PRO 10 HG2 PRO 10 -9.153 4.906 -7.257 75 2HG PRO 10 HG1 PRO 10 -8.845 6.298 -6.218 76 1HD PRO 10 HD2 PRO 10 -7.721 3.674 -5.978 77 2HD PRO 10 HD1 PRO 10 -7.515 5.046 -4.863 78 H GLY 11 HN GLY 11 -9.756 1.757 -5.196 79 1HA GLY 11 HA2 GLY 11 -11.948 0.727 -6.639 80 2HA GLY 11 HA1 GLY 11 -10.782 -0.276 -5.773 81 H MET 12 HN MET 12 -11.551 1.199 -3.227 82 HA MET 12 HA MET 12 -14.294 0.131 -2.791 83 1HB MET 12 HB2 MET 12 -12.227 -0.480 -0.730 84 2HB MET 12 HB1 MET 12 -13.637 -1.418 -1.211 85 1HG MET 12 HG2 MET 12 -11.850 -2.691 -2.026 86 2HG MET 12 HG1 MET 12 -12.347 -1.773 -3.447 87 1HE MET 12 HE2 MET 12 -10.488 -0.934 -0.176 88 2HE MET 12 HE1 MET 12 -9.743 -2.426 -0.741 89 3HE MET 12 HE3 MET 12 -8.799 -0.932 -0.671 90 H THR 13 HN THR 13 -14.770 0.678 -0.255 91 HA THR 13 HA THR 13 -13.413 2.871 0.971 92 HB THR 13 HB THR 13 -13.998 4.175 -0.931 93 HG1 THR 13 HG1 THR 13 -14.904 4.767 1.356 94 1HG2 THR 13 HG23 THR 13 -16.337 2.408 -0.935 95 2HG2 THR 13 HG22 THR 13 -16.741 4.090 -1.280 96 3HG2 THR 13 HG21 THR 13 -15.559 3.244 -2.278 97 H CYS 14 HN CYS 14 -14.202 1.104 2.627 98 HA CYS 14 HA CYS 14 -16.744 2.154 3.736 99 1HB CYS 14 HB2 CYS 14 -18.024 0.357 3.233 100 2HB CYS 14 HB1 CYS 14 -16.796 0.018 2.026 101 H ALA 15 HN ALA 15 -14.367 -0.524 4.312 102 HA ALA 15 HA ALA 15 -13.445 0.592 6.771 103 1HB ALA 15 HB1 ALA 15 -15.995 -0.937 6.781 104 2HB ALA 15 HB3 ALA 15 -14.876 -1.263 8.104 105 3HB ALA 15 HB2 ALA 15 -15.468 0.376 7.833 106 H ALA 16 HN ALA 16 -14.076 -2.301 4.856 107 HA ALA 16 HA ALA 16 -11.781 -3.645 6.237 108 1HB ALA 16 HB1 ALA 16 -14.149 -4.605 6.284 109 2HB ALA 16 HB3 ALA 16 -13.952 -4.908 4.557 110 3HB ALA 16 HB2 ALA 16 -12.886 -5.699 5.718 111 H CYS 17 HN CYS 17 -13.229 -3.051 3.017 112 HA CYS 17 HA CYS 17 -11.172 -4.424 1.550 113 1HB CYS 17 HB2 CYS 17 -12.815 -2.097 0.538 114 2HB CYS 17 HB1 CYS 17 -12.215 -3.478 -0.367 115 HA PRO 18 HA PRO 18 -9.169 -0.088 0.959 116 1HB PRO 18 HB2 PRO 18 -9.719 1.523 3.229 117 2HB PRO 18 HB1 PRO 18 -10.266 1.801 1.579 118 1HG PRO 18 HG2 PRO 18 -11.825 0.932 3.869 119 2HG PRO 18 HG1 PRO 18 -12.388 1.393 2.259 120 1HD PRO 18 HD2 PRO 18 -12.285 -1.241 3.369 121 2HD PRO 18 HD1 PRO 18 -12.723 -0.792 1.705 122 H ILE 19 HN ILE 19 -9.881 -1.277 4.206 123 HA ILE 19 HA ILE 19 -7.201 -0.990 5.276 124 HB ILE 19 HB ILE 19 -9.819 -1.826 6.056 125 1HG1 ILE 19 HG12 ILE 19 -7.412 -1.699 7.869 126 2HG1 ILE 19 HG11 ILE 19 -8.063 -0.243 7.116 127 1HG2 ILE 19 HG23 ILE 19 -7.667 -3.874 6.638 128 2HG2 ILE 19 HG22 ILE 19 -9.140 -3.733 7.596 129 3HG2 ILE 19 HG21 ILE 19 -9.238 -4.147 5.884 130 1HD1 ILE 19 HD13 ILE 19 -10.346 -1.361 8.073 131 2HD1 ILE 19 HD12 ILE 19 -9.193 -1.915 9.283 132 3HD1 ILE 19 HD11 ILE 19 -9.387 -0.190 8.973 133 H THR 20 HN THR 20 -8.802 -3.313 3.214 134 HA THR 20 HA THR 20 -7.076 -5.577 3.572 135 HB THR 20 HB THR 20 -8.433 -4.638 1.016 136 HG1 THR 20 HG1 THR 20 -9.469 -5.884 3.333 137 1HG2 THR 20 HG23 THR 20 -7.255 -7.164 2.031 138 2HG2 THR 20 HG22 THR 20 -8.776 -7.316 1.150 139 3HG2 THR 20 HG21 THR 20 -7.381 -6.560 0.379 140 H VAL 21 HN VAL 21 -6.731 -2.482 2.117 141 HA VAL 21 HA VAL 21 -4.579 -3.132 0.302 142 HB VAL 21 HB VAL 21 -5.418 -0.513 1.593 143 1HG1 VAL 21 HG13 VAL 21 -3.193 -1.041 0.067 144 2HG1 VAL 21 HG12 VAL 21 -4.366 -0.554 -1.157 145 3HG1 VAL 21 HG11 VAL 21 -3.983 0.533 0.178 146 1HG2 VAL 21 HG21 VAL 21 -7.060 -2.092 0.139 147 2HG2 VAL 21 HG23 VAL 21 -7.116 -0.331 0.055 148 3HG2 VAL 21 HG22 VAL 21 -6.240 -1.245 -1.173 149 H LYS 22 HN LYS 22 -4.914 -2.113 3.653 150 HA LYS 22 HA LYS 22 -2.175 -1.477 4.177 151 1HB LYS 22 HB2 LYS 22 -3.538 -0.814 5.914 152 2HB LYS 22 HB1 LYS 22 -4.661 -2.146 5.669 153 1HG LYS 22 HG2 LYS 22 -3.535 -3.528 7.111 154 2HG LYS 22 HG1 LYS 22 -1.958 -2.880 6.661 155 1HD LYS 22 HD2 LYS 22 -3.256 -0.729 7.882 156 2HD LYS 22 HD1 LYS 22 -3.696 -2.121 8.872 157 1HE LYS 22 HE2 LYS 22 -1.068 -2.652 8.561 158 2HE LYS 22 HE1 LYS 22 -1.021 -0.881 8.447 159 1HZ LYS 22 HZ3 LYS 22 -2.707 -1.092 10.428 160 2HZ LYS 22 HZ2 LYS 22 -1.915 -2.577 10.667 161 3HZ LYS 22 HZ1 LYS 22 -1.034 -1.124 10.706 162 H LYS 23 HN LYS 23 -4.070 -4.431 4.108 163 HA LYS 23 HA LYS 23 -2.077 -6.178 5.184 164 1HB LYS 23 HB2 LYS 23 -4.316 -6.935 5.153 165 2HB LYS 23 HB1 LYS 23 -4.530 -6.459 3.468 166 1HG LYS 23 HG2 LYS 23 -4.288 -8.946 3.807 167 2HG LYS 23 HG1 LYS 23 -3.094 -8.251 2.711 168 1HD LYS 23 HD2 LYS 23 -1.436 -9.003 4.025 169 2HD LYS 23 HD1 LYS 23 -2.070 -8.057 5.371 170 1HE LYS 23 HE2 LYS 23 -2.087 -10.329 6.136 171 2HE LYS 23 HE1 LYS 23 -3.770 -9.985 5.690 172 1HZ LYS 23 HZ3 LYS 23 -2.880 -10.706 3.341 173 2HZ LYS 23 HZ2 LYS 23 -1.760 -11.579 4.273 174 3HZ LYS 23 HZ1 LYS 23 -3.425 -11.859 4.459 175 H ALA 24 HN ALA 24 -2.967 -5.307 1.910 176 HA ALA 24 HA ALA 24 -1.234 -6.961 0.446 177 1HB ALA 24 HB2 ALA 24 -3.063 -4.892 0.017 178 2HB ALA 24 HB1 ALA 24 -1.557 -4.301 -0.685 179 3HB ALA 24 HB3 ALA 24 -2.241 -5.832 -1.230 180 H LEU 25 HN LEU 25 -0.640 -3.560 1.467 181 HA LEU 25 HA LEU 25 2.051 -3.446 0.478 182 1HB LEU 25 HB2 LEU 25 0.942 -1.978 2.881 183 2HB LEU 25 HB1 LEU 25 2.173 -1.420 1.750 184 HG LEU 25 HG LEU 25 -0.256 -2.119 0.338 185 1HD1 LEU 25 HD13 LEU 25 -1.059 -1.428 2.718 186 2HD1 LEU 25 HD12 LEU 25 -0.565 0.196 2.240 187 3HD1 LEU 25 HD11 LEU 25 -1.810 -0.654 1.323 188 1HD2 LEU 25 HD22 LEU 25 1.878 -0.366 0.127 189 2HD2 LEU 25 HD21 LEU 25 0.438 -0.343 -0.891 190 3HD2 LEU 25 HD23 LEU 25 0.533 0.702 0.526 191 H SER 26 HN SER 26 0.721 -4.313 3.657 192 HA SER 26 HA SER 26 3.226 -4.648 5.005 193 1HB SER 26 HB2 SER 26 1.414 -4.634 6.453 194 2HB SER 26 HB1 SER 26 0.372 -5.476 5.311 195 HG SER 26 HG SER 26 1.187 -7.370 5.947 196 H LYS 27 HN LYS 27 1.496 -6.484 2.637 197 HA LYS 27 HA LYS 27 3.267 -8.830 3.078 198 1HB LYS 27 HB2 LYS 27 0.487 -8.376 2.291 199 2HB LYS 27 HB1 LYS 27 1.318 -9.503 1.218 200 1HG LYS 27 HG2 LYS 27 0.195 -10.550 3.252 201 2HG LYS 27 HG1 LYS 27 1.898 -10.950 3.031 202 1HD LYS 27 HD2 LYS 27 2.324 -10.145 5.087 203 2HD LYS 27 HD1 LYS 27 1.812 -8.550 4.544 204 1HE LYS 27 HE2 LYS 27 -0.126 -8.683 5.710 205 2HE LYS 27 HE1 LYS 27 -0.473 -10.294 5.053 206 1HZ LYS 27 HZ2 LYS 27 1.504 -9.727 7.199 207 2HZ LYS 27 HZ1 LYS 27 -0.057 -10.347 7.463 208 3HZ LYS 27 HZ3 LYS 27 1.081 -11.260 6.598 209 H VAL 28 HN VAL 28 3.075 -6.093 1.201 210 HA VAL 28 HA VAL 28 3.463 -6.782 -1.461 211 HB VAL 28 HB VAL 28 4.031 -4.606 0.341 212 1HG1 VAL 28 HG11 VAL 28 6.221 -5.238 -1.650 213 2HG1 VAL 28 HG13 VAL 28 5.936 -3.608 -1.040 214 3HG1 VAL 28 HG12 VAL 28 6.389 -4.899 0.072 215 1HG2 VAL 28 HG23 VAL 28 3.167 -5.106 -2.399 216 2HG2 VAL 28 HG22 VAL 28 2.695 -3.816 -1.293 217 3HG2 VAL 28 HG21 VAL 28 4.155 -3.651 -2.269 218 H GLU 29 HN GLU 29 6.015 -6.606 1.029 219 HA GLU 29 HA GLU 29 7.458 -8.906 0.689 220 1HB GLU 29 HB2 GLU 29 7.576 -7.204 -1.723 221 2HB GLU 29 HB1 GLU 29 9.155 -7.728 -1.137 222 1HG GLU 29 HG2 GLU 29 7.499 -9.985 -0.935 223 2HG GLU 29 HG1 GLU 29 7.124 -9.264 -2.499 224 H GLY 30 HN GLY 30 8.744 -5.742 -0.245 225 1HA GLY 30 HA2 GLY 30 10.683 -5.841 1.942 226 2HA GLY 30 HA1 GLY 30 10.595 -4.594 0.703 227 H VAL 31 HN VAL 31 7.559 -4.497 1.483 228 HA VAL 31 HA VAL 31 7.392 -2.143 2.866 229 HB VAL 31 HB VAL 31 5.522 -3.546 1.998 230 1HG1 VAL 31 HG12 VAL 31 6.647 -5.476 3.682 231 2HG1 VAL 31 HG11 VAL 31 5.129 -5.039 4.467 232 3HG1 VAL 31 HG13 VAL 31 5.127 -5.619 2.802 233 1HG2 VAL 31 HG22 VAL 31 5.327 -2.646 4.888 234 2HG2 VAL 31 HG21 VAL 31 4.980 -1.676 3.457 235 3HG2 VAL 31 HG23 VAL 31 3.937 -3.034 3.877 236 H SER 32 HN SER 32 8.237 -1.455 4.744 237 HA SER 32 HA SER 32 8.788 -3.450 6.900 238 1HB SER 32 HB2 SER 32 10.076 -0.838 6.067 239 2HB SER 32 HB1 SER 32 10.443 -1.621 7.601 240 HG SER 32 HG SER 32 10.978 -3.508 6.330 241 H LYS 33 HN LYS 33 6.915 -0.796 5.921 242 HA LYS 33 HA LYS 33 5.834 -0.532 8.683 243 1HB LYS 33 HB2 LYS 33 7.638 1.243 7.682 244 2HB LYS 33 HB1 LYS 33 6.120 1.971 7.143 245 1HG LYS 33 HG2 LYS 33 5.298 2.185 9.310 246 2HG LYS 33 HG1 LYS 33 6.413 0.978 9.953 247 1HD LYS 33 HD2 LYS 33 8.078 2.498 10.249 248 2HD LYS 33 HD1 LYS 33 7.744 3.292 8.710 249 1HE LYS 33 HE2 LYS 33 5.529 4.044 10.078 250 2HE LYS 33 HE1 LYS 33 6.685 3.915 11.418 251 1HZ LYS 33 HZ2 LYS 33 7.656 5.138 8.958 252 2HZ LYS 33 HZ1 LYS 33 6.552 6.055 9.866 253 3HZ LYS 33 HZ3 LYS 33 8.001 5.531 10.574 254 H VAL 34 HN VAL 34 3.663 0.300 8.696 255 HA VAL 34 HA VAL 34 2.304 0.670 6.088 256 HB VAL 34 HB VAL 34 1.381 -1.421 8.069 257 1HG1 VAL 34 HG12 VAL 34 0.599 -0.481 5.352 258 2HG1 VAL 34 HG11 VAL 34 0.491 -2.214 5.660 259 3HG1 VAL 34 HG13 VAL 34 -0.411 -1.081 6.667 260 1HG2 VAL 34 HG22 VAL 34 3.209 -1.723 5.668 261 2HG2 VAL 34 HG21 VAL 34 3.588 -2.120 7.344 262 3HG2 VAL 34 HG23 VAL 34 2.399 -3.072 6.458 263 H ASP 35 HN ASP 35 0.796 2.225 6.315 264 HA ASP 35 HA ASP 35 -0.773 2.540 8.795 265 1HB ASP 35 HB2 ASP 35 1.252 4.535 7.730 266 2HB ASP 35 HB1 ASP 35 -0.024 4.993 8.859 267 H VAL 36 HN VAL 36 -2.528 2.055 7.298 268 HA VAL 36 HA VAL 36 -2.956 4.073 5.134 269 HB VAL 36 HB VAL 36 -4.171 2.360 4.032 270 1HG1 VAL 36 HG13 VAL 36 -1.644 1.978 4.383 271 2HG1 VAL 36 HG12 VAL 36 -2.120 0.748 5.554 272 3HG1 VAL 36 HG11 VAL 36 -2.603 0.591 3.865 273 1HG2 VAL 36 HG21 VAL 36 -4.234 0.916 6.701 274 2HG2 VAL 36 HG23 VAL 36 -5.602 1.705 5.917 275 3HG2 VAL 36 HG22 VAL 36 -4.873 0.276 5.187 276 H GLY 37 HN GLY 37 -5.656 3.562 4.758 277 1HA GLY 37 HA2 GLY 37 -7.082 4.160 7.272 278 2HA GLY 37 HA1 GLY 37 -7.115 5.421 6.034 279 H PHE 38 HN PHE 38 -8.704 2.695 7.136 280 HA PHE 38 HA PHE 38 -9.554 1.248 4.931 281 1HB PHE 38 HB2 PHE 38 -11.683 0.998 6.334 282 2HB PHE 38 HB1 PHE 38 -10.162 0.578 7.111 283 HD1 PHE 38 HD1 PHE 38 -10.574 4.138 6.602 284 HD2 PHE 38 HD2 PHE 38 -11.546 0.888 9.241 285 HE1 PHE 38 HE1 PHE 38 -11.053 5.752 8.415 286 HE2 PHE 38 HE2 PHE 38 -12.020 2.508 11.055 287 HZ PHE 38 HZ PHE 38 -11.775 4.940 10.643 288 H GLU 39 HN GLU 39 -12.409 2.741 5.958 289 HA GLU 39 HA GLU 39 -13.621 3.381 3.640 290 1HB GLU 39 HB2 GLU 39 -14.695 3.785 5.725 291 2HB GLU 39 HB1 GLU 39 -13.461 4.944 6.221 292 1HG GLU 39 HG2 GLU 39 -14.619 6.623 5.276 293 2HG GLU 39 HG1 GLU 39 -14.586 5.795 3.719 294 H LYS 40 HN LYS 40 -10.992 5.306 5.037 295 HA LYS 40 HA LYS 40 -11.215 7.341 2.899 296 1HB LYS 40 HB2 LYS 40 -9.406 8.408 4.193 297 2HB LYS 40 HB1 LYS 40 -10.714 7.916 5.266 298 1HG LYS 40 HG2 LYS 40 -9.507 6.011 6.032 299 2HG LYS 40 HG1 LYS 40 -8.315 6.156 4.740 300 1HD LYS 40 HD2 LYS 40 -8.728 8.297 6.838 301 2HD LYS 40 HD1 LYS 40 -7.548 6.998 7.013 302 1HE LYS 40 HE2 LYS 40 -6.310 7.733 5.095 303 2HE LYS 40 HE1 LYS 40 -7.610 8.836 4.600 304 1HZ LYS 40 HZ3 LYS 40 -6.512 9.081 7.308 305 2HZ LYS 40 HZ2 LYS 40 -5.606 9.710 6.015 306 3HZ LYS 40 HZ1 LYS 40 -7.182 10.274 6.305 307 H ARG 41 HN ARG 41 -10.791 4.931 1.749 308 HA ARG 41 HA ARG 41 -8.750 3.472 1.143 309 1HB ARG 41 HB2 ARG 41 -9.009 3.935 -1.236 310 2HB ARG 41 HB1 ARG 41 -10.573 4.085 -0.435 311 1HG ARG 41 HG2 ARG 41 -10.738 6.173 -1.262 312 2HG ARG 41 HG1 ARG 41 -9.365 6.631 -0.254 313 1HD ARG 41 HD2 ARG 41 -7.929 6.672 -2.037 314 2HD ARG 41 HD1 ARG 41 -8.620 5.196 -2.737 315 HE ARG 41 HE ARG 41 -10.635 7.099 -3.008 316 1HH1 ARG 41 HH21 ARG 41 -7.306 6.828 -3.894 317 2HH1 ARG 41 HH22 ARG 41 -7.476 7.788 -5.325 318 1HH2 ARG 41 HH11 ARG 41 -10.866 8.351 -4.873 319 2HH2 ARG 41 HH12 ARG 41 -9.487 8.651 -5.877 320 H GLU 42 HN GLU 42 -6.905 4.375 2.416 321 HA GLU 42 HA GLU 42 -5.051 5.808 0.591 322 1HB GLU 42 HB2 GLU 42 -6.278 6.869 3.109 323 2HB GLU 42 HB1 GLU 42 -4.593 7.279 2.786 324 1HG GLU 42 HG2 GLU 42 -5.466 7.892 0.397 325 2HG GLU 42 HG1 GLU 42 -7.043 7.969 1.185 326 H ALA 43 HN ALA 43 -3.323 4.374 0.654 327 HA ALA 43 HA ALA 43 -2.633 3.178 3.307 328 1HB ALA 43 HB1 ALA 43 -2.777 2.259 0.529 329 2HB ALA 43 HB3 ALA 43 -1.281 1.785 1.332 330 3HB ALA 43 HB2 ALA 43 -2.837 1.320 2.021 331 H VAL 44 HN VAL 44 -0.914 4.211 4.255 332 HA VAL 44 HA VAL 44 1.197 5.373 2.471 333 HB VAL 44 HB VAL 44 0.133 5.920 5.235 334 1HG1 VAL 44 HG13 VAL 44 2.802 6.777 4.088 335 2HG1 VAL 44 HG12 VAL 44 2.033 7.586 5.453 336 3HG1 VAL 44 HG11 VAL 44 2.518 5.896 5.589 337 1HG2 VAL 44 HG22 VAL 44 0.082 7.177 2.610 338 2HG2 VAL 44 HG21 VAL 44 -0.921 7.500 4.024 339 3HG2 VAL 44 HG23 VAL 44 0.649 8.287 3.857 340 H VAL 45 HN VAL 45 2.928 3.978 2.280 341 HA VAL 45 HA VAL 45 3.650 2.422 4.757 342 HB VAL 45 HB VAL 45 4.262 0.592 3.098 343 1HG1 VAL 45 HG13 VAL 45 1.597 1.496 3.947 344 2HG1 VAL 45 HG12 VAL 45 1.571 0.407 2.560 345 3HG1 VAL 45 HG11 VAL 45 2.336 -0.102 4.066 346 1HG2 VAL 45 HG22 VAL 45 4.185 2.317 1.170 347 2HG2 VAL 45 HG21 VAL 45 3.513 0.714 0.872 348 3HG2 VAL 45 HG23 VAL 45 2.439 2.071 1.213 349 H THR 46 HN THR 46 5.802 1.611 4.807 350 HA THR 46 HA THR 46 7.818 3.200 3.245 351 HB THR 46 HB THR 46 7.617 2.303 6.124 352 HG1 THR 46 HG1 THR 46 7.268 4.357 6.223 353 1HG2 THR 46 HG22 THR 46 9.769 1.453 5.270 354 2HG2 THR 46 HG21 THR 46 10.162 3.062 4.664 355 3HG2 THR 46 HG23 THR 46 10.019 2.784 6.400 356 H PHE 47 HN PHE 47 9.838 1.804 2.874 357 HA PHE 47 HA PHE 47 9.664 -1.026 3.443 358 1HB PHE 47 HB2 PHE 47 9.131 -1.752 1.156 359 2HB PHE 47 HB1 PHE 47 7.846 -0.722 1.788 360 HD1 PHE 47 HD2 PHE 47 10.855 -0.766 -0.419 361 HD2 PHE 47 HD1 PHE 47 7.334 1.390 0.800 362 HE1 PHE 47 HE2 PHE 47 11.159 0.800 -2.305 363 HE2 PHE 47 HE1 PHE 47 7.639 2.947 -1.102 364 HZ PHE 47 HZ PHE 47 9.546 2.651 -2.652 365 H ASP 48 HN ASP 48 11.129 -2.212 1.695 366 HA ASP 48 HA ASP 48 13.642 -0.627 1.541 367 1HB ASP 48 HB2 ASP 48 12.885 -3.476 2.008 368 2HB ASP 48 HB1 ASP 48 14.395 -3.187 1.142 369 H ASP 49 HN ASP 49 13.981 0.157 -0.485 370 HA ASP 49 HA ASP 49 12.450 -0.701 -2.755 371 1HB ASP 49 HB2 ASP 49 13.670 0.991 -3.882 372 2HB ASP 49 HB1 ASP 49 13.625 1.531 -2.205 373 H THR 50 HN THR 50 14.978 -2.315 -1.273 374 HA THR 50 HA THR 50 16.398 -3.252 -3.648 375 HB THR 50 HB THR 50 17.123 -4.980 -1.751 376 HG1 THR 50 HG1 THR 50 15.934 -4.590 -0.060 377 1HG2 THR 50 HG23 THR 50 18.472 -3.120 -2.775 378 2HG2 THR 50 HG22 THR 50 17.824 -2.043 -1.538 379 3HG2 THR 50 HG21 THR 50 18.831 -3.415 -1.074 380 H LYS 51 HN LYS 51 13.568 -4.278 -1.838 381 HA LYS 51 HA LYS 51 13.393 -6.694 -3.613 382 1HB LYS 51 HB2 LYS 51 12.804 -6.267 -0.682 383 2HB LYS 51 HB1 LYS 51 12.099 -7.620 -1.566 384 1HG LYS 51 HG2 LYS 51 14.031 -8.770 -1.459 385 2HG LYS 51 HG1 LYS 51 14.921 -7.416 -2.157 386 1HD LYS 51 HD2 LYS 51 15.887 -7.752 -0.008 387 2HD LYS 51 HD1 LYS 51 14.830 -6.353 0.174 388 1HE LYS 51 HE2 LYS 51 13.208 -7.570 1.369 389 2HE LYS 51 HE1 LYS 51 13.787 -9.128 0.747 390 1HZ LYS 51 HZ3 LYS 51 15.673 -7.442 2.220 391 2HZ LYS 51 HZ2 LYS 51 14.496 -8.275 3.118 392 3HZ LYS 51 HZ1 LYS 51 15.581 -9.133 2.132 393 H ALA 52 HN ALA 52 12.029 -3.739 -2.855 394 HA ALA 52 HA ALA 52 9.541 -4.407 -4.296 395 1HB ALA 52 HB2 ALA 52 9.260 -4.957 -1.830 396 2HB ALA 52 HB1 ALA 52 9.467 -3.237 -1.502 397 3HB ALA 52 HB3 ALA 52 8.098 -3.792 -2.466 398 H SER 53 HN SER 53 8.116 -2.105 -3.872 399 HA SER 53 HA SER 53 9.642 0.317 -3.747 400 1HB SER 53 HB2 SER 53 9.453 0.655 -6.346 401 2HB SER 53 HB1 SER 53 10.786 -0.292 -5.691 402 HG SER 53 HG SER 53 9.750 -1.395 -7.385 403 H VAL 54 HN VAL 54 8.334 2.192 -4.538 404 HA VAL 54 HA VAL 54 5.712 2.291 -3.712 405 HB VAL 54 HB VAL 54 5.598 4.297 -5.023 406 1HG1 VAL 54 HG13 VAL 54 7.661 3.824 -3.344 407 2HG1 VAL 54 HG12 VAL 54 8.551 4.198 -4.820 408 3HG1 VAL 54 HG11 VAL 54 7.417 5.371 -4.154 409 1HG2 VAL 54 HG23 VAL 54 7.588 2.873 -6.784 410 2HG2 VAL 54 HG22 VAL 54 6.025 3.557 -7.232 411 3HG2 VAL 54 HG21 VAL 54 7.381 4.622 -6.863 412 H GLN 55 HN GLN 55 6.946 1.116 -6.802 413 HA GLN 55 HA GLN 55 4.426 0.839 -8.164 414 1HB GLN 55 HB2 GLN 55 7.047 0.636 -8.797 415 2HB GLN 55 HB1 GLN 55 6.671 -1.078 -8.616 416 1HG GLN 55 HG2 GLN 55 5.218 -1.092 -10.411 417 2HG GLN 55 HG1 GLN 55 4.778 0.604 -10.203 418 1HE2 GLN 55 HE22 GLN 55 8.452 -0.045 -11.945 419 2HE2 GLN 55 HE21 GLN 55 7.994 -0.987 -10.610 420 H LYS 56 HN LYS 56 6.424 -1.451 -6.297 421 HA LYS 56 HA LYS 56 4.636 -3.682 -6.467 422 1HB LYS 56 HB2 LYS 56 7.179 -3.151 -5.583 423 2HB LYS 56 HB1 LYS 56 6.325 -3.395 -4.060 424 1HG LYS 56 HG2 LYS 56 6.391 -5.617 -4.394 425 2HG LYS 56 HG1 LYS 56 5.434 -5.412 -5.862 426 1HD LYS 56 HD2 LYS 56 7.940 -4.596 -6.677 427 2HD LYS 56 HD1 LYS 56 8.314 -5.913 -5.565 428 1HE LYS 56 HE2 LYS 56 6.788 -7.411 -6.792 429 2HE LYS 56 HE1 LYS 56 6.379 -6.089 -7.903 430 1HZ LYS 56 HZ2 LYS 56 8.926 -5.885 -8.132 431 2HZ LYS 56 HZ1 LYS 56 8.952 -7.482 -7.554 432 3HZ LYS 56 HZ3 LYS 56 8.125 -7.115 -8.988 433 H LEU 57 HN LEU 57 4.634 -0.824 -4.390 434 HA LEU 57 HA LEU 57 2.961 -1.965 -2.300 435 1HB LEU 57 HB2 LEU 57 3.286 0.919 -3.193 436 2HB LEU 57 HB1 LEU 57 2.785 0.362 -1.599 437 HG LEU 57 HG LEU 57 5.493 -0.251 -2.834 438 1HD1 LEU 57 HD12 LEU 57 4.602 2.213 -1.965 439 2HD1 LEU 57 HD11 LEU 57 5.344 1.546 -0.511 440 3HD1 LEU 57 HD13 LEU 57 6.288 1.699 -1.993 441 1HD2 LEU 57 HD23 LEU 57 4.213 -0.722 -0.135 442 2HD2 LEU 57 HD22 LEU 57 5.027 -1.887 -1.179 443 3HD2 LEU 57 HD21 LEU 57 5.966 -0.664 -0.321 444 H THR 58 HN THR 58 2.296 0.317 -4.968 445 HA THR 58 HA THR 58 -0.564 0.215 -4.774 446 HB THR 58 HB THR 58 0.914 0.642 -7.353 447 HG1 THR 58 HG1 THR 58 1.249 2.037 -4.953 448 1HG2 THR 58 HG23 THR 58 -1.266 2.170 -5.901 449 2HG2 THR 58 HG22 THR 58 -0.656 2.541 -7.514 450 3HG2 THR 58 HG21 THR 58 -1.516 1.029 -7.222 451 H LYS 59 HN LYS 59 1.845 -1.920 -6.041 452 HA LYS 59 HA LYS 59 0.062 -3.366 -7.858 453 1HB LYS 59 HB2 LYS 59 2.542 -3.123 -8.139 454 2HB LYS 59 HB1 LYS 59 2.767 -4.084 -6.676 455 1HG LYS 59 HG2 LYS 59 2.197 -6.038 -7.710 456 2HG LYS 59 HG1 LYS 59 0.978 -5.263 -8.722 457 1HD LYS 59 HD2 LYS 59 3.941 -4.844 -9.154 458 2HD LYS 59 HD1 LYS 59 3.045 -6.141 -9.944 459 1HE LYS 59 HE2 LYS 59 1.427 -3.949 -10.414 460 2HE LYS 59 HE1 LYS 59 3.059 -3.264 -10.545 461 1HZ LYS 59 HZ2 LYS 59 3.514 -5.476 -11.812 462 2HZ LYS 59 HZ1 LYS 59 1.837 -5.452 -12.080 463 3HZ LYS 59 HZ3 LYS 59 2.799 -4.166 -12.624 464 H ALA 60 HN ALA 60 1.079 -3.507 -4.497 465 HA ALA 60 HA ALA 60 0.207 -6.220 -3.981 466 1HB ALA 60 HB1 ALA 60 1.345 -3.951 -2.602 467 2HB ALA 60 HB3 ALA 60 0.020 -4.612 -1.645 468 3HB ALA 60 HB2 ALA 60 1.367 -5.647 -2.119 469 H THR 61 HN THR 61 -1.333 -3.013 -3.624 470 HA THR 61 HA THR 61 -3.867 -4.163 -2.668 471 HB THR 61 HB THR 61 -2.953 -1.842 -2.232 472 HG1 THR 61 HG1 THR 61 -5.281 -2.552 -2.289 473 1HG2 THR 61 HG21 THR 61 -2.138 -1.484 -4.567 474 2HG2 THR 61 HG23 THR 61 -3.817 -1.363 -5.094 475 3HG2 THR 61 HG22 THR 61 -3.152 -0.165 -3.983 476 H ALA 62 HN ALA 62 -2.439 -3.052 -5.694 477 HA ALA 62 HA ALA 62 -4.731 -3.277 -7.377 478 1HB ALA 62 HB2 ALA 62 -1.757 -3.676 -7.843 479 2HB ALA 62 HB1 ALA 62 -2.939 -3.554 -9.145 480 3HB ALA 62 HB3 ALA 62 -2.664 -2.181 -8.072 481 H ASP 63 HN ASP 63 -2.550 -5.592 -5.924 482 HA ASP 63 HA ASP 63 -3.556 -7.823 -7.585 483 1HB ASP 63 HB2 ASP 63 -1.238 -7.928 -7.060 484 2HB ASP 63 HB1 ASP 63 -1.514 -7.444 -5.386 485 H ALA 64 HN ALA 64 -4.172 -6.257 -4.540 486 HA ALA 64 HA ALA 64 -5.502 -8.492 -3.243 487 1HB ALA 64 HB2 ALA 64 -4.615 -5.908 -2.618 488 2HB ALA 64 HB1 ALA 64 -6.372 -5.803 -2.501 489 3HB ALA 64 HB3 ALA 64 -5.494 -6.988 -1.536 490 H GLY 65 HN GLY 65 -6.254 -6.302 -5.768 491 1HA GLY 65 HA2 GLY 65 -8.232 -6.783 -7.160 492 2HA GLY 65 HA1 GLY 65 -9.088 -7.201 -5.680 493 H TYR 66 HN TYR 66 -6.944 -4.443 -5.906 494 HA TYR 66 HA TYR 66 -9.325 -2.632 -5.971 495 1HB TYR 66 HB2 TYR 66 -7.006 -2.566 -4.017 496 2HB TYR 66 HB1 TYR 66 -8.381 -1.470 -4.037 497 HD1 TYR 66 HD1 TYR 66 -10.681 -3.166 -4.509 498 HD2 TYR 66 HD2 TYR 66 -7.189 -3.937 -2.100 499 HE1 TYR 66 HE1 TYR 66 -11.969 -4.786 -3.139 500 HE2 TYR 66 HE2 TYR 66 -8.489 -5.541 -0.737 501 HH TYR 66 HH TYR 66 -10.624 -6.216 -0.223 502 HA PRO 67 HA PRO 67 -6.306 -1.047 -9.013 503 1HB PRO 67 HB2 PRO 67 -8.365 0.831 -9.749 504 2HB PRO 67 HB1 PRO 67 -7.791 -0.566 -10.665 505 1HG PRO 67 HG2 PRO 67 -10.294 -0.266 -9.280 506 2HG PRO 67 HG1 PRO 67 -9.729 -1.650 -10.220 507 1HD PRO 67 HD2 PRO 67 -10.029 -1.480 -7.368 508 2HD PRO 67 HD1 PRO 67 -9.381 -2.846 -8.310 509 H SER 68 HN SER 68 -4.942 0.024 -7.499 510 HA SER 68 HA SER 68 -5.982 2.569 -6.306 511 1HB SER 68 HB2 SER 68 -4.446 2.153 -4.571 512 2HB SER 68 HB1 SER 68 -4.975 0.535 -5.024 513 HG SER 68 HG SER 68 -3.113 0.413 -6.365 514 H SER 69 HN SER 69 -3.649 3.858 -5.763 515 HA SER 69 HA SER 69 -1.901 4.115 -8.096 516 1HB SER 69 HB2 SER 69 -3.999 5.217 -8.843 517 2HB SER 69 HB1 SER 69 -3.966 6.242 -7.411 518 HG SER 69 HG SER 69 -1.854 6.094 -9.299 519 H VAL 70 HN VAL 70 0.043 4.761 -7.177 520 HA VAL 70 HA VAL 70 -0.003 5.776 -4.416 521 HB VAL 70 HB VAL 70 1.422 3.914 -5.036 522 1HG1 VAL 70 HG12 VAL 70 1.773 5.464 -7.416 523 2HG1 VAL 70 HG11 VAL 70 3.363 5.187 -6.704 524 3HG1 VAL 70 HG13 VAL 70 2.322 3.818 -7.097 525 1HG2 VAL 70 HG22 VAL 70 2.261 5.991 -3.570 526 2HG2 VAL 70 HG21 VAL 70 3.329 4.640 -3.938 527 3HG2 VAL 70 HG23 VAL 70 3.431 6.128 -4.880 528 H LYS 71 HN LYS 71 1.391 7.624 -3.815 529 HA LYS 71 HA LYS 71 1.940 9.483 -6.069 530 1HB LYS 71 HB2 LYS 71 0.642 11.261 -4.913 531 2HB LYS 71 HB1 LYS 71 -0.379 9.878 -5.316 532 1HG LYS 71 HG2 LYS 71 0.303 9.030 -2.926 533 2HG LYS 71 HG1 LYS 71 0.677 10.729 -2.635 534 1HD LYS 71 HD2 LYS 71 -1.844 10.586 -3.975 535 2HD LYS 71 HD1 LYS 71 -1.879 9.467 -2.611 536 1HE LYS 71 HE2 LYS 71 -0.980 11.345 -1.159 537 2HE LYS 71 HE1 LYS 71 -1.252 12.437 -2.532 538 1HZ LYS 71 HZ2 LYS 71 -3.556 11.276 -2.585 539 2HZ LYS 71 HZ1 LYS 71 -3.218 10.910 -0.961 540 3HZ LYS 71 HZ3 LYS 71 -3.279 12.527 -1.469 541 H GLN 72 HN GLN 72 3.766 8.097 -4.435 542 HA GLN 72 HA GLN 72 5.549 8.418 -2.884 543 1HB GLN 72 HB2 GLN 72 5.270 10.881 -4.605 544 2HB GLN 72 HB1 GLN 72 6.598 10.731 -3.453 545 1HG GLN 72 HG2 GLN 72 7.633 9.718 -5.225 546 2HG GLN 72 HG1 GLN 72 6.756 8.306 -4.636 547 1HE2 GLN 72 HE22 GLN 72 5.036 7.996 -7.681 548 2HE2 GLN 72 HE21 GLN 72 5.757 7.241 -6.342 No H/Q in entry = 548 Start of MODEL 17 1 1H ALA 1 HT1 ALA 1 18.454 1.636 2.005 2 2H ALA 1 HT3 ALA 1 19.167 0.455 1.019 3 3H ALA 1 HT2 ALA 1 19.192 2.085 0.543 4 HA ALA 1 HA ALA 1 17.176 1.968 -0.391 5 1HB ALA 1 HB1 ALA 1 18.166 -0.802 0.084 6 2HB ALA 1 HB3 ALA 1 16.502 -0.650 -0.482 7 3HB ALA 1 HB2 ALA 1 17.825 0.019 -1.438 8 H THR 2 HN THR 2 15.946 3.061 1.289 9 HA THR 2 HA THR 2 13.977 1.351 2.638 10 HB THR 2 HB THR 2 14.636 3.319 4.485 11 HG1 THR 2 HG1 THR 2 17.002 2.184 3.424 12 1HG2 THR 2 HG23 THR 2 15.567 0.448 4.275 13 2HG2 THR 2 HG22 THR 2 15.665 1.418 5.746 14 3HG2 THR 2 HG21 THR 2 14.092 1.022 5.052 15 H GLN 3 HN GLN 3 12.555 2.289 1.060 16 HA GLN 3 HA GLN 3 12.232 5.261 1.182 17 1HB GLN 3 HB2 GLN 3 10.999 3.455 -0.880 18 2HB GLN 3 HB1 GLN 3 11.517 5.129 -1.048 19 1HG GLN 3 HG2 GLN 3 13.424 2.810 -0.611 20 2HG GLN 3 HG1 GLN 3 13.030 3.475 -2.196 21 1HE2 GLN 3 HE22 GLN 3 15.250 6.180 -1.863 22 2HE2 GLN 3 HE21 GLN 3 14.243 5.260 -2.874 23 H THR 4 HN THR 4 10.068 6.133 1.174 24 HA THR 4 HA THR 4 7.917 4.285 2.126 25 HB THR 4 HB THR 4 8.784 6.940 3.326 26 HG1 THR 4 HG1 THR 4 9.414 5.660 5.052 27 1HG2 THR 4 HG23 THR 4 6.246 5.951 3.290 28 2HG2 THR 4 HG22 THR 4 6.877 5.186 4.749 29 3HG2 THR 4 HG21 THR 4 6.894 6.943 4.596 30 H VAL 5 HN VAL 5 5.869 4.865 1.320 31 HA VAL 5 HA VAL 5 5.564 7.506 -0.056 32 HB VAL 5 HB VAL 5 4.600 6.127 -2.001 33 1HG1 VAL 5 HG11 VAL 5 7.094 7.131 -1.535 34 2HG1 VAL 5 HG13 VAL 5 7.469 5.438 -1.849 35 3HG1 VAL 5 HG12 VAL 5 6.601 6.387 -3.055 36 1HG2 VAL 5 HG21 VAL 5 4.610 4.022 -0.490 37 2HG2 VAL 5 HG23 VAL 5 5.150 3.831 -2.158 38 3HG2 VAL 5 HG22 VAL 5 6.333 3.938 -0.854 39 H THR 6 HN THR 6 3.259 7.846 -0.637 40 HA THR 6 HA THR 6 1.467 6.465 1.307 41 HB THR 6 HB THR 6 1.869 8.984 1.414 42 HG1 THR 6 HG1 THR 6 -0.152 9.241 2.025 43 1HG2 THR 6 HG23 THR 6 1.684 8.886 -1.285 44 2HG2 THR 6 HG22 THR 6 0.033 9.354 -0.881 45 3HG2 THR 6 HG21 THR 6 1.388 10.350 -0.348 46 H LEU 7 HN LEU 7 -0.594 5.739 0.443 47 HA LEU 7 HA LEU 7 -0.617 5.560 -2.543 48 1HB LEU 7 HB2 LEU 7 -0.563 3.529 -0.446 49 2HB LEU 7 HB1 LEU 7 -1.941 3.311 -1.519 50 HG LEU 7 HG LEU 7 -0.526 3.216 -3.450 51 1HD1 LEU 7 HD11 LEU 7 1.632 4.102 -1.539 52 2HD1 LEU 7 HD13 LEU 7 1.983 3.435 -3.133 53 3HD1 LEU 7 HD12 LEU 7 1.060 4.925 -2.985 54 1HD2 LEU 7 HD23 LEU 7 -0.617 1.168 -1.943 55 2HD2 LEU 7 HD22 LEU 7 0.801 1.249 -2.988 56 3HD2 LEU 7 HD21 LEU 7 0.937 1.676 -1.283 57 H ALA 8 HN ALA 8 -2.692 5.363 -3.481 58 HA ALA 8 HA ALA 8 -5.008 6.134 -1.740 59 1HB ALA 8 HB3 ALA 8 -3.607 7.671 -3.790 60 2HB ALA 8 HB2 ALA 8 -5.326 7.514 -4.151 61 3HB ALA 8 HB1 ALA 8 -4.807 8.214 -2.618 62 H VAL 9 HN VAL 9 -6.276 4.309 -2.006 63 HA VAL 9 HA VAL 9 -6.577 3.217 -4.782 64 HB VAL 9 HB VAL 9 -7.542 1.878 -2.273 65 1HG1 VAL 9 HG12 VAL 9 -6.737 1.153 -5.047 66 2HG1 VAL 9 HG11 VAL 9 -6.406 -0.024 -3.776 67 3HG1 VAL 9 HG13 VAL 9 -8.057 0.526 -4.059 68 1HG2 VAL 9 HG23 VAL 9 -4.786 2.653 -2.801 69 2HG2 VAL 9 HG22 VAL 9 -5.465 1.857 -1.384 70 3HG2 VAL 9 HG21 VAL 9 -4.956 0.899 -2.773 71 HA PRO 10 HA PRO 10 -10.600 5.324 -4.302 72 1HB PRO 10 HB2 PRO 10 -11.002 5.094 -7.097 73 2HB PRO 10 HB1 PRO 10 -10.431 6.515 -6.218 74 1HG PRO 10 HG2 PRO 10 -8.940 4.781 -7.989 75 2HG PRO 10 HG1 PRO 10 -8.408 6.272 -7.208 76 1HD PRO 10 HD2 PRO 10 -7.668 3.559 -6.544 77 2HD PRO 10 HD1 PRO 10 -7.119 5.065 -5.768 78 H GLY 11 HN GLY 11 -9.886 2.137 -4.751 79 1HA GLY 11 HA2 GLY 11 -12.622 1.416 -5.695 80 2HA GLY 11 HA1 GLY 11 -11.243 0.318 -5.675 81 H MET 12 HN MET 12 -10.926 1.854 -2.846 82 HA MET 12 HA MET 12 -12.258 -0.339 -1.352 83 1HB MET 12 HB2 MET 12 -10.679 1.823 -0.019 84 2HB MET 12 HB1 MET 12 -10.660 0.086 0.271 85 1HG MET 12 HG2 MET 12 -9.330 1.589 -1.992 86 2HG MET 12 HG1 MET 12 -8.551 0.635 -0.734 87 1HE MET 12 HE1 MET 12 -9.303 -1.777 -0.255 88 2HE MET 12 HE3 MET 12 -10.999 -1.711 -0.747 89 3HE MET 12 HE2 MET 12 -9.923 -2.919 -1.441 90 H THR 13 HN THR 13 -13.769 0.103 0.382 91 HA THR 13 HA THR 13 -14.570 2.751 1.161 92 HB THR 13 HB THR 13 -15.261 2.818 -1.205 93 HG1 THR 13 HG1 THR 13 -16.581 3.721 0.564 94 1HG2 THR 13 HG21 THR 13 -16.296 0.163 -0.498 95 2HG2 THR 13 HG23 THR 13 -17.440 1.149 -1.407 96 3HG2 THR 13 HG22 THR 13 -15.843 0.811 -2.075 97 H CYS 14 HN CYS 14 -14.193 0.271 2.598 98 HA CYS 14 HA CYS 14 -16.552 0.216 4.205 99 1HB CYS 14 HB2 CYS 14 -17.927 -1.104 2.988 100 2HB CYS 14 HB1 CYS 14 -16.732 -1.129 1.701 101 H ALA 15 HN ALA 15 -16.388 -1.560 5.889 102 HA ALA 15 HA ALA 15 -13.631 -1.983 6.677 103 1HB ALA 15 HB3 ALA 15 -16.181 -2.019 7.811 104 2HB ALA 15 HB2 ALA 15 -15.637 -3.691 7.938 105 3HB ALA 15 HB1 ALA 15 -14.674 -2.394 8.647 106 H ALA 16 HN ALA 16 -12.895 -3.173 4.651 107 HA ALA 16 HA ALA 16 -12.706 -5.983 5.085 108 1HB ALA 16 HB3 ALA 16 -14.991 -4.949 3.477 109 2HB ALA 16 HB2 ALA 16 -14.196 -6.409 2.897 110 3HB ALA 16 HB1 ALA 16 -14.905 -6.372 4.511 111 H CYS 17 HN CYS 17 -13.122 -3.827 2.225 112 HA CYS 17 HA CYS 17 -10.823 -5.116 0.909 113 1HB CYS 17 HB2 CYS 17 -12.395 -2.725 -0.063 114 2HB CYS 17 HB1 CYS 17 -11.578 -3.952 -1.015 115 HA PRO 18 HA PRO 18 -9.207 -0.500 1.360 116 1HB PRO 18 HB2 PRO 18 -10.311 0.043 4.038 117 2HB PRO 18 HB1 PRO 18 -10.258 1.106 2.625 118 1HG PRO 18 HG2 PRO 18 -12.539 -0.063 3.594 119 2HG PRO 18 HG1 PRO 18 -12.332 0.445 1.917 120 1HD PRO 18 HD2 PRO 18 -12.422 -2.300 3.020 121 2HD PRO 18 HD1 PRO 18 -12.652 -1.749 1.345 122 H ILE 19 HN ILE 19 -9.949 -2.170 4.421 123 HA ILE 19 HA ILE 19 -7.370 -2.020 5.615 124 HB ILE 19 HB ILE 19 -9.631 -4.035 5.775 125 1HG1 ILE 19 HG12 ILE 19 -8.774 -1.695 7.508 126 2HG1 ILE 19 HG11 ILE 19 -10.229 -1.791 6.515 127 1HG2 ILE 19 HG23 ILE 19 -7.005 -3.873 7.215 128 2HG2 ILE 19 HG22 ILE 19 -8.427 -4.426 8.099 129 3HG2 ILE 19 HG21 ILE 19 -7.889 -5.294 6.662 130 1HD1 ILE 19 HD13 ILE 19 -9.909 -4.025 8.414 131 2HD1 ILE 19 HD12 ILE 19 -10.128 -2.449 9.174 132 3HD1 ILE 19 HD11 ILE 19 -11.336 -3.058 8.043 133 H THR 20 HN THR 20 -8.582 -4.081 3.037 134 HA THR 20 HA THR 20 -6.672 -6.217 3.229 135 HB THR 20 HB THR 20 -8.061 -5.070 0.777 136 HG1 THR 20 HG1 THR 20 -9.039 -7.223 2.259 137 1HG2 THR 20 HG22 THR 20 -6.250 -6.767 0.414 138 2HG2 THR 20 HG21 THR 20 -7.178 -7.896 1.400 139 3HG2 THR 20 HG23 THR 20 -7.843 -7.301 -0.122 140 H VAL 21 HN VAL 21 -6.596 -2.982 1.968 141 HA VAL 21 HA VAL 21 -4.248 -3.254 0.341 142 HB VAL 21 HB VAL 21 -5.389 -0.829 1.772 143 1HG1 VAL 21 HG11 VAL 21 -3.107 -1.178 0.121 144 2HG1 VAL 21 HG13 VAL 21 -4.316 -0.346 -0.857 145 3HG1 VAL 21 HG12 VAL 21 -3.803 0.342 0.684 146 1HG2 VAL 21 HG21 VAL 21 -6.773 -2.438 0.045 147 2HG2 VAL 21 HG23 VAL 21 -7.056 -0.706 0.219 148 3HG2 VAL 21 HG22 VAL 21 -6.022 -1.304 -1.079 149 H LYS 22 HN LYS 22 -4.928 -2.802 3.740 150 HA LYS 22 HA LYS 22 -2.318 -1.879 4.543 151 1HB LYS 22 HB2 LYS 22 -4.358 -1.676 5.938 152 2HB LYS 22 HB1 LYS 22 -4.479 -3.434 6.012 153 1HG LYS 22 HG2 LYS 22 -2.822 -3.615 7.561 154 2HG LYS 22 HG1 LYS 22 -1.845 -2.360 6.800 155 1HD LYS 22 HD2 LYS 22 -3.271 -0.622 7.777 156 2HD LYS 22 HD1 LYS 22 -4.306 -1.856 8.497 157 1HE LYS 22 HE2 LYS 22 -1.927 -2.681 9.479 158 2HE LYS 22 HE1 LYS 22 -1.596 -0.943 9.338 159 1HZ LYS 22 HZ2 LYS 22 -4.210 -1.223 10.269 160 2HZ LYS 22 HZ1 LYS 22 -3.248 -2.259 11.210 161 3HZ LYS 22 HZ3 LYS 22 -2.869 -0.610 11.112 162 H LYS 23 HN LYS 23 -3.924 -5.038 4.353 163 HA LYS 23 HA LYS 23 -1.674 -6.545 5.273 164 1HB LYS 23 HB2 LYS 23 -4.264 -7.039 3.879 165 2HB LYS 23 HB1 LYS 23 -3.071 -8.339 3.866 166 1HG LYS 23 HG2 LYS 23 -4.616 -8.500 5.815 167 2HG LYS 23 HG1 LYS 23 -2.934 -8.283 6.307 168 1HD LYS 23 HD2 LYS 23 -3.268 -6.072 6.962 169 2HD LYS 23 HD1 LYS 23 -4.671 -5.866 5.913 170 1HE LYS 23 HE2 LYS 23 -5.515 -6.008 8.173 171 2HE LYS 23 HE1 LYS 23 -5.865 -7.575 7.414 172 1HZ LYS 23 HZ2 LYS 23 -3.246 -7.196 8.669 173 2HZ LYS 23 HZ1 LYS 23 -4.581 -7.438 9.691 174 3HZ LYS 23 HZ3 LYS 23 -4.183 -8.607 8.528 175 H ALA 24 HN ALA 24 -2.650 -5.298 2.192 176 HA ALA 24 HA ALA 24 -1.052 -6.831 0.442 177 1HB ALA 24 HB1 ALA 24 -2.818 -4.718 0.310 178 2HB ALA 24 HB3 ALA 24 -1.296 -3.964 -0.166 179 3HB ALA 24 HB2 ALA 24 -1.911 -5.352 -1.063 180 H LEU 25 HN LEU 25 -0.317 -3.802 2.188 181 HA LEU 25 HA LEU 25 2.366 -3.502 1.177 182 1HB LEU 25 HB2 LEU 25 1.241 -2.615 3.848 183 2HB LEU 25 HB1 LEU 25 2.518 -1.838 2.917 184 HG LEU 25 HG LEU 25 0.073 -2.149 1.362 185 1HD1 LEU 25 HD11 LEU 25 -0.624 -1.844 3.883 186 2HD1 LEU 25 HD13 LEU 25 -0.136 -0.173 3.610 187 3HD1 LEU 25 HD12 LEU 25 -1.418 -0.886 2.632 188 1HD2 LEU 25 HD21 LEU 25 2.294 -0.376 1.687 189 2HD2 LEU 25 HD23 LEU 25 1.077 -0.367 0.411 190 3HD2 LEU 25 HD22 LEU 25 0.816 0.564 1.886 191 H SER 26 HN SER 26 1.094 -4.865 4.224 192 HA SER 26 HA SER 26 3.640 -5.665 5.285 193 1HB SER 26 HB2 SER 26 1.361 -5.357 6.433 194 2HB SER 26 HB1 SER 26 0.930 -6.934 5.778 195 HG SER 26 HG SER 26 2.129 -7.829 7.251 196 H LYS 27 HN LYS 27 1.759 -6.833 2.695 197 HA LYS 27 HA LYS 27 3.049 -9.505 2.864 198 1HB LYS 27 HB2 LYS 27 0.498 -8.425 1.730 199 2HB LYS 27 HB1 LYS 27 1.186 -9.882 1.018 200 1HG LYS 27 HG2 LYS 27 -0.495 -10.181 2.965 201 2HG LYS 27 HG1 LYS 27 1.008 -11.099 3.034 202 1HD LYS 27 HD2 LYS 27 1.944 -9.692 4.670 203 2HD LYS 27 HD1 LYS 27 0.824 -8.377 4.310 204 1HE LYS 27 HE2 LYS 27 -0.066 -9.258 6.311 205 2HE LYS 27 HE1 LYS 27 -1.022 -10.097 5.074 206 1HZ LYS 27 HZ3 LYS 27 1.185 -11.623 5.207 207 2HZ LYS 27 HZ2 LYS 27 1.035 -11.134 6.827 208 3HZ LYS 27 HZ1 LYS 27 -0.245 -11.944 6.059 209 H VAL 28 HN VAL 28 3.207 -6.534 1.292 210 HA VAL 28 HA VAL 28 3.765 -7.049 -1.396 211 HB VAL 28 HB VAL 28 4.646 -5.128 0.712 212 1HG1 VAL 28 HG12 VAL 28 6.123 -5.577 -1.874 213 2HG1 VAL 28 HG11 VAL 28 5.998 -3.953 -1.197 214 3HG1 VAL 28 HG13 VAL 28 6.775 -5.238 -0.271 215 1HG2 VAL 28 HG21 VAL 28 3.359 -4.965 -2.020 216 2HG2 VAL 28 HG23 VAL 28 2.614 -4.644 -0.454 217 3HG2 VAL 28 HG22 VAL 28 3.824 -3.535 -1.098 218 H GLU 29 HN GLU 29 6.168 -6.968 1.242 219 HA GLU 29 HA GLU 29 7.553 -9.316 0.981 220 1HB GLU 29 HB2 GLU 29 7.806 -7.661 -1.435 221 2HB GLU 29 HB1 GLU 29 9.361 -8.151 -0.768 222 1HG GLU 29 HG2 GLU 29 7.826 -10.451 -0.567 223 2HG GLU 29 HG1 GLU 29 7.341 -9.767 -2.119 224 H GLY 30 HN GLY 30 9.175 -6.323 0.042 225 1HA GLY 30 HA2 GLY 30 10.903 -6.472 2.384 226 2HA GLY 30 HA1 GLY 30 10.992 -5.258 1.113 227 H VAL 31 HN VAL 31 7.852 -5.129 1.868 228 HA VAL 31 HA VAL 31 7.798 -2.634 3.101 229 HB VAL 31 HB VAL 31 6.019 -5.047 3.113 230 1HG1 VAL 31 HG11 VAL 31 5.942 -2.848 5.092 231 2HG1 VAL 31 HG13 VAL 31 4.414 -3.154 4.266 232 3HG1 VAL 31 HG12 VAL 31 5.206 -4.450 5.162 233 1HG2 VAL 31 HG21 VAL 31 6.013 -2.233 2.048 234 2HG2 VAL 31 HG23 VAL 31 5.803 -3.747 1.171 235 3HG2 VAL 31 HG22 VAL 31 4.499 -3.125 2.182 236 H SER 32 HN SER 32 8.648 -1.919 4.925 237 HA SER 32 HA SER 32 9.213 -3.858 7.130 238 1HB SER 32 HB2 SER 32 11.251 -2.900 6.742 239 2HB SER 32 HB1 SER 32 10.536 -1.532 5.895 240 HG SER 32 HG SER 32 11.583 -1.209 8.069 241 H LYS 33 HN LYS 33 7.182 -1.286 6.229 242 HA LYS 33 HA LYS 33 6.071 -1.184 8.972 243 1HB LYS 33 HB2 LYS 33 7.378 0.587 9.515 244 2HB LYS 33 HB1 LYS 33 7.921 0.783 7.854 245 1HG LYS 33 HG2 LYS 33 5.912 2.063 7.307 246 2HG LYS 33 HG1 LYS 33 5.264 1.784 8.924 247 1HD LYS 33 HD2 LYS 33 7.863 2.829 9.296 248 2HD LYS 33 HD1 LYS 33 7.112 3.823 8.048 249 1HE LYS 33 HE2 LYS 33 6.382 4.889 10.012 250 2HE LYS 33 HE1 LYS 33 5.035 3.776 9.699 251 1HZ LYS 33 HZ3 LYS 33 7.283 2.615 11.107 252 2HZ LYS 33 HZ2 LYS 33 6.449 3.809 11.982 253 3HZ LYS 33 HZ1 LYS 33 5.620 2.446 11.396 254 H VAL 34 HN VAL 34 3.968 0.024 8.991 255 HA VAL 34 HA VAL 34 2.844 0.661 6.317 256 HB VAL 34 HB VAL 34 1.608 -1.374 8.191 257 1HG1 VAL 34 HG11 VAL 34 0.481 0.065 6.145 258 2HG1 VAL 34 HG13 VAL 34 1.025 -1.383 5.299 259 3HG1 VAL 34 HG12 VAL 34 -0.076 -1.524 6.670 260 1HG2 VAL 34 HG23 VAL 34 3.381 -1.757 5.759 261 2HG2 VAL 34 HG22 VAL 34 3.719 -2.280 7.408 262 3HG2 VAL 34 HG21 VAL 34 2.422 -3.044 6.490 263 H ASP 35 HN ASP 35 0.928 1.927 6.443 264 HA ASP 35 HA ASP 35 -0.375 2.565 8.968 265 1HB ASP 35 HB2 ASP 35 1.634 3.827 9.356 266 2HB ASP 35 HB1 ASP 35 1.662 4.415 7.693 267 H VAL 36 HN VAL 36 -2.110 1.922 7.428 268 HA VAL 36 HA VAL 36 -2.656 3.929 5.280 269 HB VAL 36 HB VAL 36 -3.845 2.140 4.222 270 1HG1 VAL 36 HG12 VAL 36 -1.184 1.954 4.815 271 2HG1 VAL 36 HG11 VAL 36 -1.775 0.418 5.449 272 3HG1 VAL 36 HG13 VAL 36 -2.035 0.832 3.755 273 1HG2 VAL 36 HG21 VAL 36 -4.298 1.328 6.945 274 2HG2 VAL 36 HG23 VAL 36 -5.091 0.748 5.480 275 3HG2 VAL 36 HG22 VAL 36 -3.609 -0.021 6.046 276 H GLY 37 HN GLY 37 -5.313 3.488 4.895 277 1HA GLY 37 HA2 GLY 37 -6.771 3.836 7.429 278 2HA GLY 37 HA1 GLY 37 -6.760 5.234 6.350 279 H PHE 38 HN PHE 38 -7.992 2.018 6.842 280 HA PHE 38 HA PHE 38 -8.995 1.227 4.412 281 1HB PHE 38 HB2 PHE 38 -10.962 0.402 5.933 282 2HB PHE 38 HB1 PHE 38 -9.330 -0.170 6.260 283 HD1 PHE 38 HD2 PHE 38 -10.156 3.330 7.023 284 HD2 PHE 38 HD1 PHE 38 -9.971 -0.657 8.613 285 HE1 PHE 38 HE2 PHE 38 -10.296 4.238 9.322 286 HE2 PHE 38 HE1 PHE 38 -10.109 0.254 10.909 287 HZ PHE 38 HZ PHE 38 -10.271 2.701 11.266 288 H GLU 39 HN GLU 39 -11.728 2.146 6.273 289 HA GLU 39 HA GLU 39 -13.677 3.077 5.018 290 1HB GLU 39 HB2 GLU 39 -12.064 4.476 7.004 291 2HB GLU 39 HB1 GLU 39 -13.044 5.585 6.045 292 1HG GLU 39 HG2 GLU 39 -14.278 3.072 7.139 293 2HG GLU 39 HG1 GLU 39 -14.090 4.483 8.182 294 H LYS 40 HN LYS 40 -11.261 5.691 4.900 295 HA LYS 40 HA LYS 40 -12.229 6.748 2.421 296 1HB LYS 40 HB2 LYS 40 -10.274 7.278 4.430 297 2HB LYS 40 HB1 LYS 40 -9.448 7.330 2.873 298 1HG LYS 40 HG2 LYS 40 -10.299 9.384 2.547 299 2HG LYS 40 HG1 LYS 40 -11.903 8.655 2.472 300 1HD LYS 40 HD2 LYS 40 -12.108 10.242 4.204 301 2HD LYS 40 HD1 LYS 40 -11.823 8.729 5.067 302 1HE LYS 40 HE2 LYS 40 -9.292 9.962 4.365 303 2HE LYS 40 HE1 LYS 40 -10.302 11.091 5.291 304 1HZ LYS 40 HZ1 LYS 40 -10.833 8.983 6.677 305 2HZ LYS 40 HZ3 LYS 40 -9.378 8.394 6.035 306 3HZ LYS 40 HZ2 LYS 40 -9.380 9.819 6.959 307 H ARG 41 HN ARG 41 -8.890 5.640 2.733 308 HA ARG 41 HA ARG 41 -8.445 3.351 1.462 309 1HB ARG 41 HB2 ARG 41 -8.534 3.825 -1.007 310 2HB ARG 41 HB1 ARG 41 -10.111 3.712 -0.239 311 1HG ARG 41 HG2 ARG 41 -10.542 5.735 -1.179 312 2HG ARG 41 HG1 ARG 41 -9.446 6.401 0.033 313 1HD ARG 41 HD2 ARG 41 -7.815 5.343 -2.037 314 2HD ARG 41 HD1 ARG 41 -9.082 6.295 -2.825 315 HE ARG 41 HE ARG 41 -6.902 7.369 -1.322 316 1HH1 ARG 41 HH21 ARG 41 -10.341 7.670 -1.593 317 2HH1 ARG 41 HH22 ARG 41 -10.393 9.181 -0.755 318 1HH2 ARG 41 HH11 ARG 41 -6.970 9.347 -0.259 319 2HH2 ARG 41 HH12 ARG 41 -8.494 10.133 -0.011 320 H GLU 42 HN GLU 42 -6.691 4.729 2.780 321 HA GLU 42 HA GLU 42 -4.749 5.698 0.703 322 1HB GLU 42 HB2 GLU 42 -5.767 6.979 3.222 323 2HB GLU 42 HB1 GLU 42 -4.109 7.310 2.721 324 1HG GLU 42 HG2 GLU 42 -5.061 7.863 0.417 325 2HG GLU 42 HG1 GLU 42 -6.652 7.848 1.180 326 H ALA 43 HN ALA 43 -3.018 4.292 0.799 327 HA ALA 43 HA ALA 43 -2.349 3.104 3.456 328 1HB ALA 43 HB1 ALA 43 -2.102 2.249 0.586 329 2HB ALA 43 HB3 ALA 43 -1.124 1.468 1.829 330 3HB ALA 43 HB2 ALA 43 -2.884 1.407 1.923 331 H VAL 44 HN VAL 44 -0.625 4.107 4.427 332 HA VAL 44 HA VAL 44 1.544 5.199 2.672 333 HB VAL 44 HB VAL 44 0.409 5.845 5.380 334 1HG1 VAL 44 HG12 VAL 44 3.227 6.400 4.435 335 2HG1 VAL 44 HG11 VAL 44 2.436 7.382 5.668 336 3HG1 VAL 44 HG13 VAL 44 2.718 5.665 5.955 337 1HG2 VAL 44 HG23 VAL 44 -0.344 7.052 3.349 338 2HG2 VAL 44 HG22 VAL 44 0.481 8.129 4.476 339 3HG2 VAL 44 HG21 VAL 44 1.321 7.544 3.039 340 H VAL 45 HN VAL 45 3.373 3.961 2.612 341 HA VAL 45 HA VAL 45 3.909 2.202 4.986 342 HB VAL 45 HB VAL 45 2.628 1.241 2.979 343 1HG1 VAL 45 HG12 VAL 45 4.679 2.383 1.550 344 2HG1 VAL 45 HG11 VAL 45 5.164 0.689 1.614 345 3HG1 VAL 45 HG13 VAL 45 3.595 1.132 0.941 346 1HG2 VAL 45 HG23 VAL 45 5.179 0.038 4.065 347 2HG2 VAL 45 HG22 VAL 45 3.521 -0.295 4.568 348 3HG2 VAL 45 HG21 VAL 45 4.099 -0.863 3.002 349 H THR 46 HN THR 46 6.052 1.341 5.082 350 HA THR 46 HA THR 46 8.161 2.896 3.612 351 HB THR 46 HB THR 46 7.830 2.001 6.481 352 HG1 THR 46 HG1 THR 46 7.306 4.088 6.204 353 1HG2 THR 46 HG22 THR 46 10.412 2.563 5.005 354 2HG2 THR 46 HG21 THR 46 10.277 2.632 6.762 355 3HG2 THR 46 HG23 THR 46 9.985 1.114 5.914 356 H PHE 47 HN PHE 47 10.106 1.535 3.179 357 HA PHE 47 HA PHE 47 10.043 -1.295 3.798 358 1HB PHE 47 HB2 PHE 47 9.493 -2.057 1.522 359 2HB PHE 47 HB1 PHE 47 8.183 -1.065 2.165 360 HD1 PHE 47 HD2 PHE 47 11.097 -1.092 -0.151 361 HD2 PHE 47 HD1 PHE 47 7.663 1.097 1.241 362 HE1 PHE 47 HE2 PHE 47 11.335 0.483 -2.037 363 HE2 PHE 47 HE1 PHE 47 7.907 2.672 -0.658 364 HZ PHE 47 HZ PHE 47 9.744 2.365 -2.297 365 H ASP 48 HN ASP 48 11.542 -2.413 2.003 366 HA ASP 48 HA ASP 48 13.958 -0.685 1.790 367 1HB ASP 48 HB2 ASP 48 13.522 -3.691 1.891 368 2HB ASP 48 HB1 ASP 48 15.099 -2.949 1.618 369 H ASP 49 HN ASP 49 14.383 0.000 -0.284 370 HA ASP 49 HA ASP 49 12.723 -0.929 -2.463 371 1HB ASP 49 HB2 ASP 49 13.739 0.806 -3.657 372 2HB ASP 49 HB1 ASP 49 13.935 1.349 -1.992 373 H THR 50 HN THR 50 15.226 -2.525 -1.028 374 HA THR 50 HA THR 50 16.651 -3.482 -3.393 375 HB THR 50 HB THR 50 17.564 -5.087 -1.637 376 HG1 THR 50 HG1 THR 50 15.932 -5.223 -0.199 377 1HG2 THR 50 HG23 THR 50 17.772 -2.184 -1.772 378 2HG2 THR 50 HG22 THR 50 18.146 -2.794 -0.161 379 3HG2 THR 50 HG21 THR 50 19.044 -3.386 -1.559 380 H LYS 51 HN LYS 51 13.838 -4.462 -1.522 381 HA LYS 51 HA LYS 51 13.556 -6.864 -3.290 382 1HB LYS 51 HB2 LYS 51 13.200 -6.382 -0.366 383 2HB LYS 51 HB1 LYS 51 12.119 -7.544 -1.138 384 1HG LYS 51 HG2 LYS 51 14.102 -8.735 -2.057 385 2HG LYS 51 HG1 LYS 51 15.149 -7.610 -1.190 386 1HD LYS 51 HD2 LYS 51 13.102 -9.451 0.083 387 2HD LYS 51 HD1 LYS 51 14.850 -9.692 0.099 388 1HE LYS 51 HE2 LYS 51 14.926 -7.292 1.154 389 2HE LYS 51 HE1 LYS 51 13.223 -7.608 1.544 390 1HZ LYS 51 HZ2 LYS 51 15.373 -9.572 2.092 391 2HZ LYS 51 HZ1 LYS 51 14.901 -8.407 3.234 392 3HZ LYS 51 HZ3 LYS 51 13.785 -9.565 2.696 393 H ALA 52 HN ALA 52 12.126 -3.965 -2.123 394 HA ALA 52 HA ALA 52 9.650 -4.557 -3.689 395 1HB ALA 52 HB3 ALA 52 9.979 -3.734 -0.815 396 2HB ALA 52 HB2 ALA 52 8.541 -3.227 -1.702 397 3HB ALA 52 HB1 ALA 52 8.896 -4.943 -1.505 398 H SER 53 HN SER 53 8.337 -2.198 -3.417 399 HA SER 53 HA SER 53 9.959 0.178 -3.497 400 1HB SER 53 HB2 SER 53 10.264 -1.522 -5.680 401 2HB SER 53 HB1 SER 53 9.128 -0.307 -6.256 402 HG SER 53 HG SER 53 11.634 -0.002 -6.226 403 H VAL 54 HN VAL 54 8.663 2.059 -4.167 404 HA VAL 54 HA VAL 54 6.063 2.236 -3.302 405 HB VAL 54 HB VAL 54 5.985 4.234 -4.684 406 1HG1 VAL 54 HG13 VAL 54 7.782 3.896 -2.807 407 2HG1 VAL 54 HG12 VAL 54 8.918 3.911 -4.154 408 3HG1 VAL 54 HG11 VAL 54 7.886 5.309 -3.858 409 1HG2 VAL 54 HG22 VAL 54 8.173 2.849 -6.248 410 2HG2 VAL 54 HG21 VAL 54 6.580 3.328 -6.836 411 3HG2 VAL 54 HG23 VAL 54 7.779 4.559 -6.440 412 H GLN 55 HN GLN 55 7.139 1.308 -6.576 413 HA GLN 55 HA GLN 55 4.560 1.027 -7.767 414 1HB GLN 55 HB2 GLN 55 6.571 1.052 -9.093 415 2HB GLN 55 HB1 GLN 55 7.255 -0.299 -8.187 416 1HG GLN 55 HG2 GLN 55 5.762 -1.855 -9.149 417 2HG GLN 55 HG1 GLN 55 4.666 -0.589 -9.705 418 1HE2 GLN 55 HE22 GLN 55 8.046 -0.153 -11.859 419 2HE2 GLN 55 HE21 GLN 55 7.968 0.254 -10.215 420 H LYS 56 HN LYS 56 6.638 -1.305 -6.048 421 HA LYS 56 HA LYS 56 4.889 -3.559 -6.277 422 1HB LYS 56 HB2 LYS 56 7.425 -3.093 -5.459 423 2HB LYS 56 HB1 LYS 56 6.636 -3.239 -3.888 424 1HG LYS 56 HG2 LYS 56 6.423 -5.471 -4.114 425 2HG LYS 56 HG1 LYS 56 5.718 -5.300 -5.722 426 1HD LYS 56 HD2 LYS 56 8.163 -4.789 -6.480 427 2HD LYS 56 HD1 LYS 56 8.617 -5.550 -4.954 428 1HE LYS 56 HE2 LYS 56 6.614 -7.009 -6.615 429 2HE LYS 56 HE1 LYS 56 8.290 -6.994 -7.201 430 1HZ LYS 56 HZ1 LYS 56 8.032 -7.364 -4.350 431 2HZ LYS 56 HZ3 LYS 56 7.365 -8.631 -5.260 432 3HZ LYS 56 HZ2 LYS 56 8.996 -8.202 -5.469 433 H LEU 57 HN LEU 57 4.836 -0.779 -4.095 434 HA LEU 57 HA LEU 57 3.159 -2.080 -2.082 435 1HB LEU 57 HB2 LEU 57 3.502 0.872 -2.696 436 2HB LEU 57 HB1 LEU 57 3.054 0.151 -1.152 437 HG LEU 57 HG LEU 57 5.706 -0.388 -2.517 438 1HD1 LEU 57 HD12 LEU 57 4.864 2.033 -1.452 439 2HD1 LEU 57 HD11 LEU 57 5.748 1.276 -0.128 440 3HD1 LEU 57 HD13 LEU 57 6.539 1.527 -1.680 441 1HD2 LEU 57 HD21 LEU 57 4.444 -1.069 0.117 442 2HD2 LEU 57 HD23 LEU 57 5.425 -2.081 -0.944 443 3HD2 LEU 57 HD22 LEU 57 6.190 -0.835 0.042 444 H THR 58 HN THR 58 2.587 0.358 -4.625 445 HA THR 58 HA THR 58 -0.291 0.314 -4.441 446 HB THR 58 HB THR 58 1.109 0.905 -7.007 447 HG1 THR 58 HG1 THR 58 2.387 2.369 -6.200 448 1HG2 THR 58 HG22 THR 58 -0.871 2.376 -5.247 449 2HG2 THR 58 HG21 THR 58 -0.261 2.996 -6.781 450 3HG2 THR 58 HG23 THR 58 -1.225 1.520 -6.748 451 H LYS 59 HN LYS 59 2.098 -1.766 -5.801 452 HA LYS 59 HA LYS 59 0.312 -3.063 -7.734 453 1HB LYS 59 HB2 LYS 59 2.764 -2.769 -8.063 454 2HB LYS 59 HB1 LYS 59 3.057 -3.782 -6.648 455 1HG LYS 59 HG2 LYS 59 3.182 -5.410 -8.266 456 2HG LYS 59 HG1 LYS 59 1.439 -5.438 -7.995 457 1HD LYS 59 HD2 LYS 59 1.900 -3.357 -9.848 458 2HD LYS 59 HD1 LYS 59 2.883 -4.718 -10.391 459 1HE LYS 59 HE2 LYS 59 0.683 -6.110 -9.890 460 2HE LYS 59 HE1 LYS 59 -0.101 -4.533 -10.113 461 1HZ LYS 59 HZ2 LYS 59 1.362 -4.318 -12.151 462 2HZ LYS 59 HZ1 LYS 59 1.661 -5.985 -12.001 463 3HZ LYS 59 HZ3 LYS 59 0.080 -5.428 -12.263 464 H ALA 60 HN ALA 60 1.346 -3.420 -4.397 465 HA ALA 60 HA ALA 60 0.526 -6.192 -4.094 466 1HB ALA 60 HB3 ALA 60 1.689 -4.053 -2.558 467 2HB ALA 60 HB2 ALA 60 0.341 -4.729 -1.645 468 3HB ALA 60 HB1 ALA 60 1.660 -5.774 -2.173 469 H THR 61 HN THR 61 -1.033 -3.036 -3.505 470 HA THR 61 HA THR 61 -3.539 -4.288 -2.627 471 HB THR 61 HB THR 61 -2.705 -2.038 -1.930 472 HG1 THR 61 HG1 THR 61 -4.843 -1.007 -2.845 473 1HG2 THR 61 HG22 THR 61 -1.818 -1.530 -4.281 474 2HG2 THR 61 HG21 THR 61 -3.480 -1.108 -4.694 475 3HG2 THR 61 HG23 THR 61 -2.626 -0.206 -3.443 476 H ALA 62 HN ALA 62 -2.173 -2.853 -5.552 477 HA ALA 62 HA ALA 62 -4.492 -2.990 -7.208 478 1HB ALA 62 HB2 ALA 62 -1.526 -3.279 -7.807 479 2HB ALA 62 HB1 ALA 62 -2.761 -2.962 -9.023 480 3HB ALA 62 HB3 ALA 62 -2.429 -1.766 -7.770 481 H ASP 63 HN ASP 63 -2.236 -5.358 -5.981 482 HA ASP 63 HA ASP 63 -3.084 -7.472 -7.849 483 1HB ASP 63 HB2 ASP 63 -0.786 -7.367 -7.001 484 2HB ASP 63 HB1 ASP 63 -1.373 -7.408 -5.339 485 H ALA 64 HN ALA 64 -3.903 -6.237 -4.672 486 HA ALA 64 HA ALA 64 -5.359 -8.590 -3.779 487 1HB ALA 64 HB2 ALA 64 -4.549 -6.003 -2.833 488 2HB ALA 64 HB1 ALA 64 -6.287 -6.168 -2.578 489 3HB ALA 64 HB3 ALA 64 -5.177 -7.354 -1.889 490 H GLY 65 HN GLY 65 -5.902 -6.105 -6.046 491 1HA GLY 65 HA2 GLY 65 -7.832 -6.316 -7.561 492 2HA GLY 65 HA1 GLY 65 -8.779 -6.854 -6.175 493 H TYR 66 HN TYR 66 -6.491 -4.204 -6.050 494 HA TYR 66 HA TYR 66 -8.780 -2.282 -5.896 495 1HB TYR 66 HB2 TYR 66 -6.417 -2.590 -4.011 496 2HB TYR 66 HB1 TYR 66 -7.681 -1.372 -3.875 497 HD1 TYR 66 HD1 TYR 66 -10.092 -2.857 -4.595 498 HD2 TYR 66 HD2 TYR 66 -6.755 -4.061 -2.166 499 HE1 TYR 66 HE1 TYR 66 -11.540 -4.484 -3.407 500 HE2 TYR 66 HE2 TYR 66 -8.204 -5.685 -0.984 501 HH TYR 66 HH TYR 66 -10.218 -6.822 -1.162 502 HA PRO 67 HA PRO 67 -5.539 -0.875 -8.911 503 1HB PRO 67 HB2 PRO 67 -7.714 0.775 -9.912 504 2HB PRO 67 HB1 PRO 67 -6.856 -0.533 -10.733 505 1HG PRO 67 HG2 PRO 67 -9.516 -0.591 -9.697 506 2HG PRO 67 HG1 PRO 67 -8.619 -1.924 -10.431 507 1HD PRO 67 HD2 PRO 67 -9.351 -1.609 -7.660 508 2HD PRO 67 HD1 PRO 67 -8.416 -2.935 -8.396 509 H SER 68 HN SER 68 -4.420 0.348 -7.315 510 HA SER 68 HA SER 68 -5.707 2.902 -6.427 511 1HB SER 68 HB2 SER 68 -4.241 2.737 -4.554 512 2HB SER 68 HB1 SER 68 -4.826 1.101 -4.840 513 HG SER 68 HG SER 68 -2.903 0.590 -5.791 514 H SER 69 HN SER 69 -3.510 4.328 -5.701 515 HA SER 69 HA SER 69 -1.644 4.586 -7.983 516 1HB SER 69 HB2 SER 69 -3.965 5.819 -8.295 517 2HB SER 69 HB1 SER 69 -3.283 6.974 -7.155 518 HG SER 69 HG SER 69 -1.549 7.266 -8.565 519 H VAL 70 HN VAL 70 0.315 5.087 -7.024 520 HA VAL 70 HA VAL 70 0.286 6.004 -4.217 521 HB VAL 70 HB VAL 70 1.578 4.055 -4.854 522 1HG1 VAL 70 HG11 VAL 70 2.455 5.884 -7.039 523 2HG1 VAL 70 HG13 VAL 70 3.655 4.748 -6.423 524 3HG1 VAL 70 HG12 VAL 70 2.134 4.151 -7.086 525 1HG2 VAL 70 HG21 VAL 70 2.529 6.057 -3.338 526 2HG2 VAL 70 HG23 VAL 70 3.495 4.623 -3.684 527 3HG2 VAL 70 HG22 VAL 70 3.746 6.101 -4.613 528 H LYS 71 HN LYS 71 1.732 7.772 -3.560 529 HA LYS 71 HA LYS 71 2.606 9.550 -5.774 530 1HB LYS 71 HB2 LYS 71 1.264 11.433 -4.821 531 2HB LYS 71 HB1 LYS 71 0.258 10.109 -5.410 532 1HG LYS 71 HG2 LYS 71 0.717 9.326 -2.831 533 2HG LYS 71 HG1 LYS 71 0.653 11.080 -2.655 534 1HD LYS 71 HD2 LYS 71 -1.435 9.982 -4.416 535 2HD LYS 71 HD1 LYS 71 -1.550 9.435 -2.742 536 1HE LYS 71 HE2 LYS 71 -1.082 12.056 -2.291 537 2HE LYS 71 HE1 LYS 71 -1.905 12.174 -3.859 538 1HZ LYS 71 HZ1 LYS 71 -3.415 10.348 -2.723 539 2HZ LYS 71 HZ3 LYS 71 -2.904 11.139 -1.312 540 3HZ LYS 71 HZ2 LYS 71 -3.720 12.007 -2.522 541 H GLN 72 HN GLN 72 4.332 8.296 -4.064 542 HA GLN 72 HA GLN 72 6.060 8.699 -2.496 543 1HB GLN 72 HB2 GLN 72 5.437 11.115 -4.033 544 2HB GLN 72 HB1 GLN 72 6.200 11.480 -2.485 545 1HG GLN 72 HG2 GLN 72 8.185 10.913 -3.369 546 2HG GLN 72 HG1 GLN 72 7.594 9.261 -3.554 547 1HE2 GLN 72 HE22 GLN 72 8.189 11.486 -6.838 548 2HE2 GLN 72 HE21 GLN 72 8.741 11.940 -5.298 No H/Q in entry = 548 Start of MODEL 18 1 1H ALA 1 HT2 ALA 1 16.761 1.458 0.002 2 2H ALA 1 HT1 ALA 1 18.072 2.462 -0.395 3 3H ALA 1 HT3 ALA 1 18.049 1.651 1.094 4 HA ALA 1 HA ALA 1 17.460 3.896 1.554 5 1HB ALA 1 HB2 ALA 1 16.949 4.186 -0.940 6 2HB ALA 1 HB1 ALA 1 15.337 3.567 -0.579 7 3HB ALA 1 HB3 ALA 1 15.895 5.064 0.168 8 H THR 2 HN THR 2 15.148 4.646 2.412 9 HA THR 2 HA THR 2 13.395 2.411 3.175 10 HB THR 2 HB THR 2 13.802 3.837 5.513 11 HG1 THR 2 HG1 THR 2 15.602 4.863 4.755 12 1HG2 THR 2 HG23 THR 2 13.769 1.271 4.838 13 2HG2 THR 2 HG22 THR 2 15.518 1.458 4.968 14 3HG2 THR 2 HG21 THR 2 14.489 1.802 6.358 15 H GLN 3 HN GLN 3 11.883 3.614 1.862 16 HA GLN 3 HA GLN 3 11.076 6.257 3.032 17 1HB GLN 3 HB2 GLN 3 10.218 6.325 0.422 18 2HB GLN 3 HB1 GLN 3 11.740 7.003 0.990 19 1HG GLN 3 HG2 GLN 3 12.913 4.930 0.423 20 2HG GLN 3 HG1 GLN 3 11.392 4.175 -0.057 21 1HE2 GLN 3 HE22 GLN 3 13.380 6.406 -2.734 22 2HE2 GLN 3 HE21 GLN 3 14.055 5.909 -1.258 23 H THR 4 HN THR 4 8.862 6.759 3.033 24 HA THR 4 HA THR 4 7.012 4.449 2.625 25 HB THR 4 HB THR 4 6.781 4.725 4.875 26 HG1 THR 4 HG1 THR 4 4.887 5.575 4.831 27 1HG2 THR 4 HG22 THR 4 7.774 7.563 4.599 28 2HG2 THR 4 HG21 THR 4 7.482 6.721 6.121 29 3HG2 THR 4 HG23 THR 4 8.761 6.169 5.039 30 H VAL 5 HN VAL 5 4.918 4.998 1.814 31 HA VAL 5 HA VAL 5 4.503 7.800 0.865 32 HB VAL 5 HB VAL 5 3.860 6.761 -1.361 33 1HG1 VAL 5 HG13 VAL 5 6.392 7.418 -0.314 34 2HG1 VAL 5 HG12 VAL 5 6.631 5.932 -1.233 35 3HG1 VAL 5 HG11 VAL 5 5.932 7.350 -2.015 36 1HG2 VAL 5 HG21 VAL 5 3.561 4.453 -0.424 37 2HG2 VAL 5 HG23 VAL 5 4.623 4.495 -1.831 38 3HG2 VAL 5 HG22 VAL 5 5.310 4.355 -0.213 39 H THR 6 HN THR 6 2.161 7.860 -0.075 40 HA THR 6 HA THR 6 0.438 6.198 1.718 41 HB THR 6 HB THR 6 0.487 8.761 1.863 42 HG1 THR 6 HG1 THR 6 -1.922 8.812 1.653 43 1HG2 THR 6 HG23 THR 6 0.392 8.622 -0.868 44 2HG2 THR 6 HG22 THR 6 -1.297 8.945 -0.478 45 3HG2 THR 6 HG21 THR 6 -0.037 10.052 0.069 46 H LEU 7 HN LEU 7 -1.630 5.447 0.631 47 HA LEU 7 HA LEU 7 -1.215 5.242 -2.329 48 1HB LEU 7 HB2 LEU 7 -1.195 3.210 -0.265 49 2HB LEU 7 HB1 LEU 7 -2.455 2.873 -1.450 50 HG LEU 7 HG LEU 7 -0.875 3.011 -3.258 51 1HD1 LEU 7 HD11 LEU 7 0.859 4.162 -1.127 52 2HD1 LEU 7 HD13 LEU 7 1.626 3.279 -2.446 53 3HD1 LEU 7 HD12 LEU 7 0.625 4.683 -2.790 54 1HD2 LEU 7 HD21 LEU 7 -0.928 0.938 -1.617 55 2HD2 LEU 7 HD23 LEU 7 0.318 1.033 -2.863 56 3HD2 LEU 7 HD22 LEU 7 0.696 1.484 -1.201 57 H ALA 8 HN ALA 8 -2.999 5.361 -3.575 58 HA ALA 8 HA ALA 8 -5.606 5.917 -2.193 59 1HB ALA 8 HB2 ALA 8 -4.139 6.987 -4.555 60 2HB ALA 8 HB1 ALA 8 -5.894 6.890 -4.706 61 3HB ALA 8 HB3 ALA 8 -5.171 7.831 -3.401 62 H VAL 9 HN VAL 9 -6.568 3.861 -2.168 63 HA VAL 9 HA VAL 9 -6.678 2.390 -4.783 64 HB VAL 9 HB VAL 9 -5.574 1.299 -2.833 65 1HG1 VAL 9 HG12 VAL 9 -7.359 2.488 -1.264 66 2HG1 VAL 9 HG11 VAL 9 -8.253 0.994 -1.531 67 3HG1 VAL 9 HG13 VAL 9 -6.646 0.943 -0.809 68 1HG2 VAL 9 HG23 VAL 9 -7.987 0.243 -4.203 69 2HG2 VAL 9 HG22 VAL 9 -6.343 -0.391 -4.174 70 3HG2 VAL 9 HG21 VAL 9 -7.422 -0.676 -2.809 71 HA PRO 10 HA PRO 10 -10.974 4.016 -4.017 72 1HB PRO 10 HB2 PRO 10 -11.280 4.369 -6.809 73 2HB PRO 10 HB1 PRO 10 -10.960 5.629 -5.613 74 1HG PRO 10 HG2 PRO 10 -9.165 4.523 -7.621 75 2HG PRO 10 HG1 PRO 10 -8.942 5.944 -6.596 76 1HD PRO 10 HD2 PRO 10 -7.639 3.411 -6.340 77 2HD PRO 10 HD1 PRO 10 -7.540 4.793 -5.223 78 H GLY 11 HN GLY 11 -9.533 1.350 -5.525 79 1HA GLY 11 HA2 GLY 11 -11.626 0.190 -7.029 80 2HA GLY 11 HA1 GLY 11 -10.398 -0.736 -6.164 81 H MET 12 HN MET 12 -11.417 0.802 -3.659 82 HA MET 12 HA MET 12 -14.057 -0.450 -3.242 83 1HB MET 12 HB2 MET 12 -12.419 -1.266 -1.041 84 2HB MET 12 HB1 MET 12 -13.269 -2.280 -2.191 85 1HG MET 12 HG2 MET 12 -10.915 -2.877 -2.218 86 2HG MET 12 HG1 MET 12 -11.315 -2.103 -3.744 87 1HE MET 12 HE2 MET 12 -10.777 -1.061 -0.192 88 2HE MET 12 HE1 MET 12 -9.524 0.177 -0.201 89 3HE MET 12 HE3 MET 12 -11.150 0.553 -0.790 90 H THR 13 HN THR 13 -14.336 -0.197 -0.555 91 HA THR 13 HA THR 13 -13.147 2.109 0.667 92 HB THR 13 HB THR 13 -14.238 3.243 -1.223 93 HG1 THR 13 HG1 THR 13 -15.942 4.330 0.299 94 1HG2 THR 13 HG21 THR 13 -16.561 1.608 -0.275 95 2HG2 THR 13 HG23 THR 13 -16.877 3.176 -1.020 96 3HG2 THR 13 HG22 THR 13 -16.016 1.928 -1.922 97 H CYS 14 HN CYS 14 -13.679 -0.223 1.900 98 HA CYS 14 HA CYS 14 -15.698 0.518 3.897 99 1HB CYS 14 HB2 CYS 14 -16.420 -2.144 3.177 100 2HB CYS 14 HB1 CYS 14 -17.407 -0.696 3.052 101 H ALA 15 HN ALA 15 -15.790 -1.383 5.595 102 HA ALA 15 HA ALA 15 -13.049 -1.983 6.345 103 1HB ALA 15 HB1 ALA 15 -15.661 -1.907 7.480 104 2HB ALA 15 HB3 ALA 15 -15.006 -3.516 7.785 105 3HB ALA 15 HB2 ALA 15 -14.124 -2.087 8.326 106 H ALA 16 HN ALA 16 -12.495 -3.277 4.311 107 HA ALA 16 HA ALA 16 -12.529 -6.086 4.841 108 1HB ALA 16 HB2 ALA 16 -14.867 -4.915 3.569 109 2HB ALA 16 HB1 ALA 16 -14.133 -6.148 2.543 110 3HB ALA 16 HB3 ALA 16 -14.638 -6.552 4.183 111 H CYS 17 HN CYS 17 -12.766 -3.913 1.975 112 HA CYS 17 HA CYS 17 -10.640 -5.478 0.635 113 1HB CYS 17 HB2 CYS 17 -11.918 -2.999 -0.471 114 2HB CYS 17 HB1 CYS 17 -11.399 -4.449 -1.317 115 HA PRO 18 HA PRO 18 -8.588 -1.111 0.776 116 1HB PRO 18 HB2 PRO 18 -9.469 0.128 3.221 117 2HB PRO 18 HB1 PRO 18 -9.647 0.728 1.574 118 1HG PRO 18 HG2 PRO 18 -11.703 -0.264 3.270 119 2HG PRO 18 HG1 PRO 18 -11.853 0.227 1.582 120 1HD PRO 18 HD2 PRO 18 -11.920 -2.464 2.688 121 2HD PRO 18 HD1 PRO 18 -12.202 -1.958 1.004 122 H ILE 19 HN ILE 19 -9.607 -2.517 3.907 123 HA ILE 19 HA ILE 19 -7.075 -2.428 5.238 124 HB ILE 19 HB ILE 19 -9.272 -4.532 5.295 125 1HG1 ILE 19 HG12 ILE 19 -8.891 -2.144 7.117 126 2HG1 ILE 19 HG11 ILE 19 -9.949 -2.117 5.707 127 1HG2 ILE 19 HG21 ILE 19 -6.807 -4.709 6.465 128 2HG2 ILE 19 HG23 ILE 19 -7.729 -3.904 7.735 129 3HG2 ILE 19 HG22 ILE 19 -8.264 -5.463 7.110 130 1HD1 ILE 19 HD11 ILE 19 -10.694 -4.458 6.979 131 2HD1 ILE 19 HD13 ILE 19 -10.370 -3.367 8.326 132 3HD1 ILE 19 HD12 ILE 19 -11.549 -2.920 7.094 133 H THR 20 HN THR 20 -8.333 -4.564 2.717 134 HA THR 20 HA THR 20 -6.393 -6.674 2.901 135 HB THR 20 HB THR 20 -7.828 -5.644 0.421 136 HG1 THR 20 HG1 THR 20 -8.772 -7.273 2.541 137 1HG2 THR 20 HG22 THR 20 -6.890 -8.376 1.336 138 2HG2 THR 20 HG21 THR 20 -7.880 -8.094 -0.096 139 3HG2 THR 20 HG23 THR 20 -6.247 -7.433 -0.008 140 H VAL 21 HN VAL 21 -6.434 -3.503 1.481 141 HA VAL 21 HA VAL 21 -4.163 -3.774 -0.233 142 HB VAL 21 HB VAL 21 -5.413 -1.390 1.172 143 1HG1 VAL 21 HG11 VAL 21 -3.024 -1.590 -0.373 144 2HG1 VAL 21 HG13 VAL 21 -4.229 -0.762 -1.359 145 3HG1 VAL 21 HG12 VAL 21 -3.806 -0.130 0.232 146 1HG2 VAL 21 HG21 VAL 21 -6.069 -2.970 -1.263 147 2HG2 VAL 21 HG23 VAL 21 -7.137 -2.068 -0.186 148 3HG2 VAL 21 HG22 VAL 21 -6.195 -1.217 -1.410 149 H LYS 22 HN LYS 22 -4.629 -3.193 3.197 150 HA LYS 22 HA LYS 22 -1.982 -2.195 3.729 151 1HB LYS 22 HB2 LYS 22 -3.533 -1.740 5.418 152 2HB LYS 22 HB1 LYS 22 -4.281 -3.331 5.291 153 1HG LYS 22 HG2 LYS 22 -2.821 -4.267 6.768 154 2HG LYS 22 HG1 LYS 22 -1.443 -3.392 6.102 155 1HD LYS 22 HD2 LYS 22 -2.464 -1.305 7.235 156 2HD LYS 22 HD1 LYS 22 -3.450 -2.447 8.148 157 1HE LYS 22 HE2 LYS 22 -1.115 -3.629 8.591 158 2HE LYS 22 HE1 LYS 22 -0.487 -2.002 8.260 159 1HZ LYS 22 HZ2 LYS 22 -2.806 -2.433 10.043 160 2HZ LYS 22 HZ1 LYS 22 -1.216 -2.502 10.639 161 3HZ LYS 22 HZ3 LYS 22 -1.795 -1.072 9.934 162 H LYS 23 HN LYS 23 -3.553 -5.375 3.831 163 HA LYS 23 HA LYS 23 -1.251 -6.823 4.714 164 1HB LYS 23 HB2 LYS 23 -3.903 -7.337 3.516 165 2HB LYS 23 HB1 LYS 23 -2.713 -8.613 3.257 166 1HG LYS 23 HG2 LYS 23 -4.127 -8.808 5.384 167 2HG LYS 23 HG1 LYS 23 -2.379 -8.915 5.601 168 1HD LYS 23 HD2 LYS 23 -2.238 -6.660 6.378 169 2HD LYS 23 HD1 LYS 23 -3.884 -6.302 5.855 170 1HE LYS 23 HE2 LYS 23 -4.599 -8.181 7.510 171 2HE LYS 23 HE1 LYS 23 -2.982 -7.966 8.210 172 1HZ LYS 23 HZ3 LYS 23 -4.949 -5.790 7.720 173 2HZ LYS 23 HZ2 LYS 23 -4.596 -6.467 9.238 174 3HZ LYS 23 HZ1 LYS 23 -3.405 -5.598 8.394 175 H ALA 24 HN ALA 24 -2.229 -5.562 1.667 176 HA ALA 24 HA ALA 24 -0.625 -7.167 -0.067 177 1HB ALA 24 HB2 ALA 24 -2.620 -5.434 -0.392 178 2HB ALA 24 HB1 ALA 24 -1.285 -4.315 -0.663 179 3HB ALA 24 HB3 ALA 24 -1.464 -5.738 -1.688 180 H LEU 25 HN LEU 25 -0.055 -3.997 1.498 181 HA LEU 25 HA LEU 25 2.551 -3.586 0.300 182 1HB LEU 25 HB2 LEU 25 1.581 -2.531 2.964 183 2HB LEU 25 HB1 LEU 25 2.679 -1.752 1.827 184 HG LEU 25 HG LEU 25 0.139 -2.374 0.561 185 1HD1 LEU 25 HD13 LEU 25 -0.300 -1.946 3.155 186 2HD1 LEU 25 HD12 LEU 25 -0.121 -0.265 2.660 187 3HD1 LEU 25 HD11 LEU 25 -1.368 -1.272 1.925 188 1HD2 LEU 25 HD21 LEU 25 2.192 -0.483 0.418 189 2HD2 LEU 25 HD23 LEU 25 0.692 -0.457 -0.510 190 3HD2 LEU 25 HD22 LEU 25 0.805 0.435 1.007 191 H SER 26 HN SER 26 1.460 -4.942 3.399 192 HA SER 26 HA SER 26 4.084 -5.412 4.488 193 1HB SER 26 HB2 SER 26 2.619 -7.118 5.846 194 2HB SER 26 HB1 SER 26 2.280 -5.398 6.011 195 HG SER 26 HG SER 26 0.706 -7.359 5.078 196 H LYS 27 HN LYS 27 2.167 -6.940 2.069 197 HA LYS 27 HA LYS 27 3.727 -9.448 2.248 198 1HB LYS 27 HB2 LYS 27 1.185 -8.523 0.948 199 2HB LYS 27 HB1 LYS 27 1.976 -9.983 0.355 200 1HG LYS 27 HG2 LYS 27 0.179 -10.163 2.273 201 2HG LYS 27 HG1 LYS 27 1.645 -11.139 2.355 202 1HD LYS 27 HD2 LYS 27 2.667 -9.653 3.925 203 2HD LYS 27 HD1 LYS 27 1.450 -8.409 3.645 204 1HE LYS 27 HE2 LYS 27 0.996 -9.592 5.769 205 2HE LYS 27 HE1 LYS 27 -0.293 -9.919 4.595 206 1HZ LYS 27 HZ1 LYS 27 2.081 -11.641 4.588 207 2HZ LYS 27 HZ3 LYS 27 0.926 -11.883 5.806 208 3HZ LYS 27 HZ2 LYS 27 0.476 -12.013 4.172 209 H VAL 28 HN VAL 28 3.769 -6.479 0.655 210 HA VAL 28 HA VAL 28 4.492 -6.930 -1.990 211 HB VAL 28 HB VAL 28 5.339 -5.042 0.188 212 1HG1 VAL 28 HG11 VAL 28 6.775 -5.486 -2.400 213 2HG1 VAL 28 HG13 VAL 28 6.526 -3.821 -1.872 214 3HG1 VAL 28 HG12 VAL 28 7.408 -4.949 -0.844 215 1HG2 VAL 28 HG23 VAL 28 3.196 -4.782 -1.048 216 2HG2 VAL 28 HG22 VAL 28 4.277 -3.410 -1.296 217 3HG2 VAL 28 HG21 VAL 28 4.103 -4.635 -2.553 218 H GLU 29 HN GLU 29 6.877 -6.720 0.674 219 HA GLU 29 HA GLU 29 8.268 -9.090 0.437 220 1HB GLU 29 HB2 GLU 29 8.758 -9.031 -1.814 221 2HB GLU 29 HB1 GLU 29 8.619 -7.276 -1.896 222 1HG GLU 29 HG2 GLU 29 10.814 -6.931 -1.308 223 2HG GLU 29 HG1 GLU 29 10.900 -8.412 -0.354 224 H GLY 30 HN GLY 30 9.469 -5.758 -0.151 225 1HA GLY 30 HA2 GLY 30 11.276 -6.052 2.169 226 2HA GLY 30 HA1 GLY 30 11.351 -4.767 0.967 227 H VAL 31 HN VAL 31 8.184 -4.863 1.621 228 HA VAL 31 HA VAL 31 7.875 -2.440 2.934 229 HB VAL 31 HB VAL 31 6.092 -3.955 2.031 230 1HG1 VAL 31 HG13 VAL 31 7.217 -5.885 3.524 231 2HG1 VAL 31 HG12 VAL 31 5.965 -5.366 4.652 232 3HG1 VAL 31 HG11 VAL 31 5.520 -5.939 3.044 233 1HG2 VAL 31 HG22 VAL 31 5.755 -3.000 4.893 234 2HG2 VAL 31 HG21 VAL 31 5.435 -2.066 3.432 235 3HG2 VAL 31 HG23 VAL 31 4.423 -3.453 3.830 236 H SER 32 HN SER 32 8.430 -1.678 4.878 237 HA SER 32 HA SER 32 9.293 -3.619 6.982 238 1HB SER 32 HB2 SER 32 9.962 -0.739 6.337 239 2HB SER 32 HB1 SER 32 10.479 -1.516 7.830 240 HG SER 32 HG SER 32 11.715 -2.906 6.682 241 H LYS 33 HN LYS 33 6.841 -1.452 6.108 242 HA LYS 33 HA LYS 33 5.479 -1.819 8.672 243 1HB LYS 33 HB2 LYS 33 6.510 -0.047 9.650 244 2HB LYS 33 HB1 LYS 33 7.167 0.515 8.121 245 1HG LYS 33 HG2 LYS 33 5.708 2.246 8.902 246 2HG LYS 33 HG1 LYS 33 4.835 1.430 7.606 247 1HD LYS 33 HD2 LYS 33 3.173 0.897 9.025 248 2HD LYS 33 HD1 LYS 33 4.317 0.062 10.078 249 1HE LYS 33 HE2 LYS 33 4.716 1.994 11.382 250 2HE LYS 33 HE1 LYS 33 4.068 3.075 10.133 251 1HZ LYS 33 HZ2 LYS 33 2.242 1.004 10.972 252 2HZ LYS 33 HZ1 LYS 33 2.635 2.105 12.205 253 3HZ LYS 33 HZ3 LYS 33 1.968 2.667 10.752 254 H VAL 34 HN VAL 34 3.236 -0.914 8.549 255 HA VAL 34 HA VAL 34 2.427 0.015 5.837 256 HB VAL 34 HB VAL 34 1.358 -2.443 7.259 257 1HG1 VAL 34 HG12 VAL 34 0.656 -1.146 4.609 258 2HG1 VAL 34 HG11 VAL 34 0.128 -2.757 5.091 259 3HG1 VAL 34 HG13 VAL 34 -0.405 -1.346 6.004 260 1HG2 VAL 34 HG21 VAL 34 3.048 -2.118 4.759 261 2HG2 VAL 34 HG23 VAL 34 3.579 -2.817 6.288 262 3HG2 VAL 34 HG22 VAL 34 2.359 -3.642 5.318 263 H ASP 35 HN ASP 35 0.223 0.807 5.779 264 HA ASP 35 HA ASP 35 -1.053 1.361 8.425 265 1HB ASP 35 HB2 ASP 35 0.371 3.286 7.685 266 2HB ASP 35 HB1 ASP 35 -0.557 3.359 6.188 267 H VAL 36 HN VAL 36 -3.296 1.069 8.278 268 HA VAL 36 HA VAL 36 -4.338 0.474 5.538 269 HB VAL 36 HB VAL 36 -4.512 -1.414 6.948 270 1HG1 VAL 36 HG11 VAL 36 -5.182 0.624 9.040 271 2HG1 VAL 36 HG13 VAL 36 -5.755 -1.032 9.244 272 3HG1 VAL 36 HG12 VAL 36 -4.027 -0.706 9.109 273 1HG2 VAL 36 HG21 VAL 36 -6.657 -0.684 5.783 274 2HG2 VAL 36 HG23 VAL 36 -6.865 -1.781 7.148 275 3HG2 VAL 36 HG22 VAL 36 -7.183 -0.058 7.346 276 H GLY 37 HN GLY 37 -5.797 1.817 4.670 277 1HA GLY 37 HA2 GLY 37 -7.287 3.679 6.474 278 2HA GLY 37 HA1 GLY 37 -6.917 4.024 4.774 279 H PHE 38 HN PHE 38 -8.282 1.325 6.616 280 HA PHE 38 HA PHE 38 -9.708 -0.168 4.950 281 1HB PHE 38 HB2 PHE 38 -11.599 0.019 6.801 282 2HB PHE 38 HB1 PHE 38 -10.019 -0.639 7.180 283 HD1 PHE 38 HD1 PHE 38 -11.025 2.942 6.679 284 HD2 PHE 38 HD2 PHE 38 -9.604 -0.065 9.401 285 HE1 PHE 38 HE1 PHE 38 -10.678 4.675 8.414 286 HE2 PHE 38 HE2 PHE 38 -9.256 1.671 11.135 287 HZ PHE 38 HZ PHE 38 -9.793 4.041 10.642 288 H GLU 39 HN GLU 39 -12.335 1.494 6.214 289 HA GLU 39 HA GLU 39 -13.750 1.842 3.844 290 1HB GLU 39 HB2 GLU 39 -14.478 2.022 6.282 291 2HB GLU 39 HB1 GLU 39 -13.907 3.691 6.233 292 1HG GLU 39 HG2 GLU 39 -15.442 4.206 4.407 293 2HG GLU 39 HG1 GLU 39 -15.962 2.522 4.335 294 H LYS 40 HN LYS 40 -11.857 4.432 5.504 295 HA LYS 40 HA LYS 40 -12.371 6.534 3.695 296 1HB LYS 40 HB2 LYS 40 -11.195 6.583 5.925 297 2HB LYS 40 HB1 LYS 40 -9.759 5.950 5.117 298 1HG LYS 40 HG2 LYS 40 -10.872 8.217 3.671 299 2HG LYS 40 HG1 LYS 40 -10.485 8.646 5.338 300 1HD LYS 40 HD2 LYS 40 -8.583 7.250 3.432 301 2HD LYS 40 HD1 LYS 40 -8.550 8.976 3.798 302 1HE LYS 40 HE2 LYS 40 -8.463 6.995 6.064 303 2HE LYS 40 HE1 LYS 40 -6.981 7.366 5.162 304 1HZ LYS 40 HZ1 LYS 40 -8.627 9.656 5.815 305 2HZ LYS 40 HZ3 LYS 40 -7.935 8.886 7.158 306 3HZ LYS 40 HZ2 LYS 40 -6.941 9.469 5.909 307 H ARG 41 HN ARG 41 -10.588 3.681 3.107 308 HA ARG 41 HA ARG 41 -9.394 2.921 1.225 309 1HB ARG 41 HB2 ARG 41 -11.410 3.977 0.176 310 2HB ARG 41 HB1 ARG 41 -10.499 5.477 0.039 311 1HG ARG 41 HG2 ARG 41 -9.081 3.128 -1.025 312 2HG ARG 41 HG1 ARG 41 -10.572 3.504 -1.885 313 1HD ARG 41 HD2 ARG 41 -8.187 5.334 -1.453 314 2HD ARG 41 HD1 ARG 41 -8.866 4.782 -2.990 315 HE ARG 41 HE ARG 41 -10.996 6.022 -1.683 316 1HH1 ARG 41 HH21 ARG 41 -7.790 6.863 -2.657 317 2HH1 ARG 41 HH22 ARG 41 -8.169 8.533 -2.913 318 1HH2 ARG 41 HH11 ARG 41 -11.497 8.198 -2.008 319 2HH2 ARG 41 HH12 ARG 41 -10.261 9.290 -2.538 320 H GLU 42 HN GLU 42 -7.387 3.378 2.383 321 HA GLU 42 HA GLU 42 -5.602 5.071 0.849 322 1HB GLU 42 HB2 GLU 42 -7.007 6.644 2.329 323 2HB GLU 42 HB1 GLU 42 -6.129 5.958 3.697 324 1HG GLU 42 HG2 GLU 42 -4.463 7.414 3.290 325 2HG GLU 42 HG1 GLU 42 -4.171 6.582 1.761 326 H ALA 43 HN ALA 43 -3.723 3.847 0.920 327 HA ALA 43 HA ALA 43 -3.137 2.399 3.485 328 1HB ALA 43 HB2 ALA 43 -3.073 1.735 0.621 329 2HB ALA 43 HB1 ALA 43 -1.617 1.246 1.488 330 3HB ALA 43 HB3 ALA 43 -3.195 0.664 2.017 331 H VAL 44 HN VAL 44 -1.469 3.320 4.598 332 HA VAL 44 HA VAL 44 0.610 4.839 3.058 333 HB VAL 44 HB VAL 44 -0.803 5.117 5.640 334 1HG1 VAL 44 HG12 VAL 44 2.185 5.276 5.478 335 2HG1 VAL 44 HG11 VAL 44 1.338 6.494 6.431 336 3HG1 VAL 44 HG13 VAL 44 1.164 4.785 6.830 337 1HG2 VAL 44 HG22 VAL 44 0.527 6.892 3.607 338 2HG2 VAL 44 HG21 VAL 44 -1.175 6.816 4.062 339 3HG2 VAL 44 HG23 VAL 44 -0.001 7.541 5.160 340 H VAL 45 HN VAL 45 2.541 3.767 2.844 341 HA VAL 45 HA VAL 45 3.187 1.688 4.919 342 HB VAL 45 HB VAL 45 2.186 0.808 2.844 343 1HG1 VAL 45 HG13 VAL 45 4.519 2.262 1.597 344 2HG1 VAL 45 HG12 VAL 45 3.647 0.977 0.761 345 3HG1 VAL 45 HG11 VAL 45 2.804 2.453 1.233 346 1HG2 VAL 45 HG21 VAL 45 4.821 0.128 3.890 347 2HG2 VAL 45 HG23 VAL 45 3.508 -0.941 3.400 348 3HG2 VAL 45 HG22 VAL 45 4.650 -0.341 2.199 349 H THR 46 HN THR 46 5.356 1.246 5.284 350 HA THR 46 HA THR 46 7.380 3.195 4.209 351 HB THR 46 HB THR 46 6.952 1.781 6.847 352 HG1 THR 46 HG1 THR 46 6.357 3.754 7.205 353 1HG2 THR 46 HG22 THR 46 9.536 2.598 5.579 354 2HG2 THR 46 HG21 THR 46 9.339 2.844 7.314 355 3HG2 THR 46 HG23 THR 46 9.191 1.225 6.631 356 H PHE 47 HN PHE 47 9.419 2.181 3.571 357 HA PHE 47 HA PHE 47 9.775 -0.690 3.799 358 1HB PHE 47 HB2 PHE 47 9.362 -1.223 1.449 359 2HB PHE 47 HB1 PHE 47 7.918 -0.470 2.131 360 HD1 PHE 47 HD2 PHE 47 10.954 0.170 0.048 361 HD2 PHE 47 HD1 PHE 47 7.123 1.636 1.346 362 HE1 PHE 47 HE2 PHE 47 11.076 1.978 -1.632 363 HE2 PHE 47 HE1 PHE 47 7.247 3.442 -0.347 364 HZ PHE 47 HZ PHE 47 9.224 3.614 -1.830 365 H ASP 48 HN ASP 48 11.514 -1.352 2.081 366 HA ASP 48 HA ASP 48 13.580 0.796 2.072 367 1HB ASP 48 HB2 ASP 48 13.664 -2.239 2.068 368 2HB ASP 48 HB1 ASP 48 15.104 -1.251 1.814 369 H ASP 49 HN ASP 49 13.963 1.653 0.060 370 HA ASP 49 HA ASP 49 12.567 0.663 -2.238 371 1HB ASP 49 HB2 ASP 49 13.281 2.636 -3.164 372 2HB ASP 49 HB1 ASP 49 13.690 3.002 -1.491 373 H THR 50 HN THR 50 15.268 -0.667 -0.785 374 HA THR 50 HA THR 50 16.740 -1.409 -3.212 375 HB THR 50 HB THR 50 17.853 -1.082 -1.051 376 HG1 THR 50 HG1 THR 50 18.918 -2.567 -2.212 377 1HG2 THR 50 HG22 THR 50 15.588 -2.514 -0.090 378 2HG2 THR 50 HG21 THR 50 17.024 -3.449 0.328 379 3HG2 THR 50 HG23 THR 50 16.881 -1.770 0.851 380 H LYS 51 HN LYS 51 14.112 -2.715 -1.306 381 HA LYS 51 HA LYS 51 14.163 -5.184 -3.012 382 1HB LYS 51 HB2 LYS 51 13.942 -4.724 -0.093 383 2HB LYS 51 HB1 LYS 51 12.839 -5.934 -0.752 384 1HG LYS 51 HG2 LYS 51 14.524 -7.386 -1.258 385 2HG LYS 51 HG1 LYS 51 15.628 -6.094 -1.733 386 1HD LYS 51 HD2 LYS 51 16.384 -7.257 0.332 387 2HD LYS 51 HD1 LYS 51 16.047 -5.549 0.617 388 1HE LYS 51 HE2 LYS 51 13.928 -6.044 1.643 389 2HE LYS 51 HE1 LYS 51 14.008 -7.739 1.125 390 1HZ LYS 51 HZ1 LYS 51 16.388 -7.041 2.476 391 2HZ LYS 51 HZ3 LYS 51 15.062 -6.639 3.453 392 3HZ LYS 51 HZ2 LYS 51 15.245 -8.229 2.886 393 H ALA 52 HN ALA 52 12.483 -2.390 -2.216 394 HA ALA 52 HA ALA 52 10.063 -3.348 -3.616 395 1HB ALA 52 HB3 ALA 52 10.305 -3.274 -0.777 396 2HB ALA 52 HB2 ALA 52 9.232 -1.954 -1.241 397 3HB ALA 52 HB1 ALA 52 8.855 -3.607 -1.725 398 H SER 53 HN SER 53 8.417 -1.218 -3.259 399 HA SER 53 HA SER 53 9.649 1.370 -3.182 400 1HB SER 53 HB2 SER 53 10.142 -0.216 -5.502 401 2HB SER 53 HB1 SER 53 9.071 1.099 -5.978 402 HG SER 53 HG SER 53 10.646 2.417 -4.661 403 H VAL 54 HN VAL 54 8.106 3.058 -3.822 404 HA VAL 54 HA VAL 54 5.482 2.802 -3.089 405 HB VAL 54 HB VAL 54 5.160 4.808 -4.446 406 1HG1 VAL 54 HG13 VAL 54 7.006 4.530 -2.477 407 2HG1 VAL 54 HG12 VAL 54 8.022 5.136 -3.787 408 3HG1 VAL 54 HG11 VAL 54 6.629 6.072 -3.245 409 1HG2 VAL 54 HG21 VAL 54 7.697 3.901 -5.824 410 2HG2 VAL 54 HG23 VAL 54 6.096 4.033 -6.552 411 3HG2 VAL 54 HG22 VAL 54 6.960 5.487 -6.052 412 H GLN 55 HN GLN 55 6.806 2.165 -6.349 413 HA GLN 55 HA GLN 55 4.333 1.597 -7.657 414 1HB GLN 55 HB2 GLN 55 6.867 1.856 -8.427 415 2HB GLN 55 HB1 GLN 55 6.857 0.098 -8.275 416 1HG GLN 55 HG2 GLN 55 6.206 0.459 -10.514 417 2HG GLN 55 HG1 GLN 55 4.676 0.199 -9.676 418 1HE2 GLN 55 HE22 GLN 55 3.532 3.255 -11.009 419 2HE2 GLN 55 HE21 GLN 55 3.267 1.590 -10.816 420 H LYS 56 HN LYS 56 6.631 -0.547 -5.957 421 HA LYS 56 HA LYS 56 5.158 -2.975 -6.350 422 1HB LYS 56 HB2 LYS 56 7.569 -2.095 -5.210 423 2HB LYS 56 HB1 LYS 56 6.686 -2.841 -3.877 424 1HG LYS 56 HG2 LYS 56 7.005 -4.910 -4.714 425 2HG LYS 56 HG1 LYS 56 6.455 -4.414 -6.315 426 1HD LYS 56 HD2 LYS 56 9.001 -3.208 -5.867 427 2HD LYS 56 HD1 LYS 56 9.135 -4.916 -5.447 428 1HE LYS 56 HE2 LYS 56 7.606 -4.900 -7.799 429 2HE LYS 56 HE1 LYS 56 8.890 -3.708 -8.082 430 1HZ LYS 56 HZ1 LYS 56 9.405 -6.366 -6.874 431 2HZ LYS 56 HZ3 LYS 56 9.510 -6.091 -8.544 432 3HZ LYS 56 HZ2 LYS 56 10.542 -5.259 -7.481 433 H LEU 57 HN LEU 57 4.793 -0.342 -4.029 434 HA LEU 57 HA LEU 57 3.197 -1.855 -2.119 435 1HB LEU 57 HB2 LEU 57 3.239 1.130 -2.689 436 2HB LEU 57 HB1 LEU 57 2.796 0.349 -1.173 437 HG LEU 57 HG LEU 57 5.547 0.181 -2.432 438 1HD1 LEU 57 HD12 LEU 57 4.342 2.355 -1.118 439 2HD1 LEU 57 HD11 LEU 57 5.393 1.597 0.078 440 3HD1 LEU 57 HD13 LEU 57 6.058 2.139 -1.461 441 1HD2 LEU 57 HD23 LEU 57 4.252 -1.322 -0.387 442 2HD2 LEU 57 HD22 LEU 57 5.940 -1.407 -0.889 443 3HD2 LEU 57 HD21 LEU 57 5.456 -0.294 0.391 444 H THR 58 HN THR 58 2.385 0.633 -4.536 445 HA THR 58 HA THR 58 -0.454 0.248 -4.473 446 HB THR 58 HB THR 58 1.180 1.145 -6.845 447 HG1 THR 58 HG1 THR 58 2.130 2.461 -5.528 448 1HG2 THR 58 HG22 THR 58 -1.488 1.085 -6.483 449 2HG2 THR 58 HG21 THR 58 -1.140 2.656 -5.762 450 3HG2 THR 58 HG23 THR 58 -0.688 2.334 -7.437 451 H LYS 59 HN LYS 59 2.167 -1.535 -5.834 452 HA LYS 59 HA LYS 59 0.593 -2.868 -7.921 453 1HB LYS 59 HB2 LYS 59 2.955 -2.536 -8.268 454 2HB LYS 59 HB1 LYS 59 3.342 -3.221 -6.689 455 1HG LYS 59 HG2 LYS 59 2.404 -5.409 -7.463 456 2HG LYS 59 HG1 LYS 59 2.181 -4.704 -9.065 457 1HD LYS 59 HD2 LYS 59 4.875 -4.507 -7.769 458 2HD LYS 59 HD1 LYS 59 4.393 -6.042 -8.493 459 1HE LYS 59 HE2 LYS 59 3.733 -3.822 -10.256 460 2HE LYS 59 HE1 LYS 59 5.465 -3.841 -9.864 461 1HZ LYS 59 HZ3 LYS 59 5.133 -6.401 -10.179 462 2HZ LYS 59 HZ2 LYS 59 3.827 -5.912 -11.149 463 3HZ LYS 59 HZ1 LYS 59 5.404 -5.400 -11.521 464 H ALA 60 HN ALA 60 1.486 -3.347 -4.551 465 HA ALA 60 HA ALA 60 0.755 -6.159 -4.430 466 1HB ALA 60 HB1 ALA 60 2.141 -4.495 -2.851 467 2HB ALA 60 HB3 ALA 60 0.568 -4.316 -2.075 468 3HB ALA 60 HB2 ALA 60 1.321 -5.907 -2.186 469 H THR 61 HN THR 61 -0.933 -3.101 -3.682 470 HA THR 61 HA THR 61 -3.431 -4.444 -2.957 471 HB THR 61 HB THR 61 -2.741 -2.206 -2.148 472 HG1 THR 61 HG1 THR 61 -4.781 -1.146 -3.191 473 1HG2 THR 61 HG21 THR 61 -3.043 -1.431 -5.059 474 2HG2 THR 61 HG23 THR 61 -2.845 -0.284 -3.735 475 3HG2 THR 61 HG22 THR 61 -1.549 -1.414 -4.124 476 H ALA 62 HN ALA 62 -1.982 -2.968 -5.811 477 HA ALA 62 HA ALA 62 -4.249 -3.052 -7.539 478 1HB ALA 62 HB3 ALA 62 -1.263 -3.002 -7.778 479 2HB ALA 62 HB2 ALA 62 -2.195 -3.369 -9.229 480 3HB ALA 62 HB1 ALA 62 -2.445 -1.842 -8.383 481 H ASP 63 HN ASP 63 -1.947 -5.459 -6.419 482 HA ASP 63 HA ASP 63 -2.967 -7.502 -8.301 483 1HB ASP 63 HB2 ASP 63 -0.689 -7.079 -6.461 484 2HB ASP 63 HB1 ASP 63 -1.269 -8.744 -6.531 485 H ALA 64 HN ALA 64 -3.629 -6.283 -5.150 486 HA ALA 64 HA ALA 64 -4.705 -8.755 -4.022 487 1HB ALA 64 HB2 ALA 64 -3.811 -6.480 -2.965 488 2HB ALA 64 HB1 ALA 64 -5.494 -5.991 -3.157 489 3HB ALA 64 HB3 ALA 64 -5.091 -7.392 -2.165 490 H GLY 65 HN GLY 65 -5.755 -6.300 -6.198 491 1HA GLY 65 HA2 GLY 65 -7.776 -6.911 -7.557 492 2HA GLY 65 HA1 GLY 65 -8.538 -7.366 -6.037 493 H TYR 66 HN TYR 66 -6.493 -4.565 -6.115 494 HA TYR 66 HA TYR 66 -8.865 -2.769 -6.328 495 1HB TYR 66 HB2 TYR 66 -6.828 -2.617 -4.087 496 2HB TYR 66 HB1 TYR 66 -8.384 -1.795 -4.194 497 HD1 TYR 66 HD1 TYR 66 -10.401 -3.560 -4.728 498 HD2 TYR 66 HD2 TYR 66 -6.775 -4.428 -2.583 499 HE1 TYR 66 HE1 TYR 66 -11.524 -5.458 -3.592 500 HE2 TYR 66 HE2 TYR 66 -7.900 -6.330 -1.461 501 HH TYR 66 HH TYR 66 -11.148 -6.728 -1.321 502 HA PRO 67 HA PRO 67 -5.310 -1.245 -8.846 503 1HB PRO 67 HB2 PRO 67 -7.327 0.429 -10.087 504 2HB PRO 67 HB1 PRO 67 -6.404 -0.896 -10.805 505 1HG PRO 67 HG2 PRO 67 -9.168 -0.898 -10.076 506 2HG PRO 67 HG1 PRO 67 -8.224 -2.240 -10.728 507 1HD PRO 67 HD2 PRO 67 -9.251 -1.946 -8.052 508 2HD PRO 67 HD1 PRO 67 -8.266 -3.281 -8.698 509 H SER 68 HN SER 68 -4.371 -0.024 -7.136 510 HA SER 68 HA SER 68 -5.730 2.548 -6.411 511 1HB SER 68 HB2 SER 68 -4.746 2.279 -4.329 512 2HB SER 68 HB1 SER 68 -4.894 0.593 -4.814 513 HG SER 68 HG SER 68 -2.685 2.027 -4.312 514 H SER 69 HN SER 69 -3.532 3.902 -5.437 515 HA SER 69 HA SER 69 -1.542 4.113 -7.631 516 1HB SER 69 HB2 SER 69 -3.786 5.945 -7.005 517 2HB SER 69 HB1 SER 69 -2.227 6.735 -7.223 518 HG SER 69 HG SER 69 -2.186 5.185 -9.163 519 H VAL 70 HN VAL 70 -0.081 6.211 -6.831 520 HA VAL 70 HA VAL 70 0.234 5.972 -3.880 521 HB VAL 70 HB VAL 70 1.577 4.398 -5.390 522 1HG1 VAL 70 HG13 VAL 70 3.051 7.005 -5.855 523 2HG1 VAL 70 HG12 VAL 70 3.680 5.412 -6.275 524 3HG1 VAL 70 HG11 VAL 70 2.238 6.030 -7.079 525 1HG2 VAL 70 HG23 VAL 70 2.161 5.701 -2.955 526 2HG2 VAL 70 HG22 VAL 70 2.866 4.195 -3.541 527 3HG2 VAL 70 HG21 VAL 70 3.660 5.732 -3.879 528 H LYS 71 HN LYS 71 0.954 7.796 -2.852 529 HA LYS 71 HA LYS 71 1.768 10.107 -4.569 530 1HB LYS 71 HB2 LYS 71 -0.517 10.455 -3.997 531 2HB LYS 71 HB1 LYS 71 -0.270 9.865 -2.351 532 1HG LYS 71 HG2 LYS 71 1.558 11.991 -2.748 533 2HG LYS 71 HG1 LYS 71 -0.008 12.534 -3.346 534 1HD LYS 71 HD2 LYS 71 -0.881 11.411 -1.113 535 2HD LYS 71 HD1 LYS 71 0.777 11.700 -0.584 536 1HE LYS 71 HE2 LYS 71 0.035 13.799 -0.058 537 2HE LYS 71 HE1 LYS 71 0.097 14.100 -1.807 538 1HZ LYS 71 HZ3 LYS 71 -2.218 12.846 -0.437 539 2HZ LYS 71 HZ2 LYS 71 -2.125 14.508 -0.781 540 3HZ LYS 71 HZ1 LYS 71 -2.140 13.375 -2.047 541 H GLN 72 HN GLN 72 3.959 9.364 -3.848 542 HA GLN 72 HA GLN 72 4.968 9.021 -1.301 543 1HB GLN 72 HB2 GLN 72 6.014 9.306 -3.740 544 2HB GLN 72 HB1 GLN 72 6.380 10.922 -3.135 545 1HG GLN 72 HG2 GLN 72 7.145 9.391 -1.008 546 2HG GLN 72 HG1 GLN 72 7.527 8.314 -2.351 547 1HE2 GLN 72 HE22 GLN 72 10.529 10.419 -1.931 548 2HE2 GLN 72 HE21 GLN 72 9.749 9.175 -1.081 No H/Q in entry = 548 Start of MODEL 19 1 1H ALA 1 HT3 ALA 1 17.204 2.542 -0.177 2 2H ALA 1 HT2 ALA 1 18.428 1.409 0.148 3 3H ALA 1 HT1 ALA 1 18.073 1.844 -1.456 4 HA ALA 1 HA ALA 1 16.148 0.601 -1.533 5 1HB ALA 1 HB1 ALA 1 18.399 -0.515 0.057 6 2HB ALA 1 HB3 ALA 1 16.910 -1.460 0.049 7 3HB ALA 1 HB2 ALA 1 17.718 -1.077 -1.471 8 H THR 2 HN THR 2 15.320 2.575 0.185 9 HA THR 2 HA THR 2 13.554 1.154 2.011 10 HB THR 2 HB THR 2 14.527 3.170 3.593 11 HG1 THR 2 HG1 THR 2 16.794 1.907 2.522 12 1HG2 THR 2 HG23 THR 2 15.173 0.242 3.385 13 2HG2 THR 2 HG22 THR 2 15.860 1.233 4.673 14 3HG2 THR 2 HG21 THR 2 14.111 1.054 4.536 15 H GLN 3 HN GLN 3 11.946 2.083 0.587 16 HA GLN 3 HA GLN 3 11.828 5.084 0.621 17 1HB GLN 3 HB2 GLN 3 10.281 3.368 -1.291 18 2HB GLN 3 HB1 GLN 3 10.952 4.976 -1.535 19 1HG GLN 3 HG2 GLN 3 13.254 3.678 -1.177 20 2HG GLN 3 HG1 GLN 3 12.291 2.312 -1.742 21 1HE2 GLN 3 HE22 GLN 3 11.572 4.093 -4.918 22 2HE2 GLN 3 HE21 GLN 3 10.658 3.380 -3.677 23 H THR 4 HN THR 4 9.720 6.068 0.806 24 HA THR 4 HA THR 4 7.576 4.343 1.984 25 HB THR 4 HB THR 4 8.585 7.008 3.045 26 HG1 THR 4 HG1 THR 4 9.335 4.407 3.492 27 1HG2 THR 4 HG23 THR 4 6.575 5.015 4.125 28 2HG2 THR 4 HG22 THR 4 7.142 6.446 4.985 29 3HG2 THR 4 HG21 THR 4 6.213 6.623 3.497 30 H VAL 5 HN VAL 5 5.743 4.719 0.782 31 HA VAL 5 HA VAL 5 5.292 7.482 -0.314 32 HB VAL 5 HB VAL 5 4.302 6.172 -2.291 33 1HG1 VAL 5 HG13 VAL 5 6.700 7.278 -1.965 34 2HG1 VAL 5 HG12 VAL 5 7.231 5.600 -2.066 35 3HG1 VAL 5 HG11 VAL 5 6.329 6.321 -3.399 36 1HG2 VAL 5 HG21 VAL 5 4.462 4.013 -0.779 37 2HG2 VAL 5 HG23 VAL 5 4.757 3.897 -2.514 38 3HG2 VAL 5 HG22 VAL 5 6.116 3.956 -1.390 39 H THR 6 HN THR 6 2.948 7.666 -1.037 40 HA THR 6 HA THR 6 1.175 6.412 1.005 41 HB THR 6 HB THR 6 1.542 8.947 0.881 42 HG1 THR 6 HG1 THR 6 -1.132 8.459 0.300 43 1HG2 THR 6 HG23 THR 6 1.336 8.649 -1.778 44 2HG2 THR 6 HG22 THR 6 -0.353 9.000 -1.415 45 3HG2 THR 6 HG21 THR 6 0.903 10.154 -0.967 46 H LEU 7 HN LEU 7 -0.974 5.728 0.171 47 HA LEU 7 HA LEU 7 -0.897 5.214 -2.777 48 1HB LEU 7 HB2 LEU 7 -1.032 3.407 -0.485 49 2HB LEU 7 HB1 LEU 7 -2.367 3.145 -1.602 50 HG LEU 7 HG LEU 7 -0.863 2.820 -3.446 51 1HD1 LEU 7 HD12 LEU 7 1.212 3.805 -1.499 52 2HD1 LEU 7 HD11 LEU 7 1.643 2.942 -2.976 53 3HD1 LEU 7 HD13 LEU 7 0.782 4.472 -3.066 54 1HD2 LEU 7 HD22 LEU 7 -1.090 0.989 -1.567 55 2HD2 LEU 7 HD21 LEU 7 0.133 0.787 -2.821 56 3HD2 LEU 7 HD23 LEU 7 0.594 1.392 -1.230 57 H ALA 8 HN ALA 8 -2.923 5.000 -3.774 58 HA ALA 8 HA ALA 8 -5.269 6.137 -2.291 59 1HB ALA 8 HB1 ALA 8 -3.976 7.781 -3.743 60 2HB ALA 8 HB3 ALA 8 -4.428 6.793 -5.132 61 3HB ALA 8 HB2 ALA 8 -5.675 7.598 -4.180 62 H VAL 9 HN VAL 9 -6.497 4.232 -2.226 63 HA VAL 9 HA VAL 9 -6.771 2.710 -4.791 64 HB VAL 9 HB VAL 9 -7.752 1.737 -2.135 65 1HG1 VAL 9 HG11 VAL 9 -6.747 0.620 -4.717 66 2HG1 VAL 9 HG13 VAL 9 -6.549 -0.347 -3.255 67 3HG1 VAL 9 HG12 VAL 9 -8.158 0.155 -3.772 68 1HG2 VAL 9 HG22 VAL 9 -5.183 2.718 -2.230 69 2HG2 VAL 9 HG21 VAL 9 -5.705 1.397 -1.195 70 3HG2 VAL 9 HG23 VAL 9 -4.944 1.054 -2.743 71 HA PRO 10 HA PRO 10 -10.818 4.807 -4.644 72 1HB PRO 10 HB2 PRO 10 -11.227 4.118 -7.364 73 2HB PRO 10 HB1 PRO 10 -10.673 5.672 -6.733 74 1HG PRO 10 HG2 PRO 10 -9.165 3.703 -8.213 75 2HG PRO 10 HG1 PRO 10 -8.643 5.298 -7.664 76 1HD PRO 10 HD2 PRO 10 -7.898 2.714 -6.595 77 2HD PRO 10 HD1 PRO 10 -7.334 4.321 -6.076 78 H GLY 11 HN GLY 11 -9.975 1.577 -4.829 79 1HA GLY 11 HA2 GLY 11 -12.707 0.639 -5.516 80 2HA GLY 11 HA1 GLY 11 -11.291 -0.392 -5.317 81 H MET 12 HN MET 12 -11.163 1.707 -2.793 82 HA MET 12 HA MET 12 -12.540 -0.248 -0.993 83 1HB MET 12 HB2 MET 12 -10.747 1.802 0.161 84 2HB MET 12 HB1 MET 12 -10.787 0.065 0.444 85 1HG MET 12 HG2 MET 12 -9.543 1.474 -1.932 86 2HG MET 12 HG1 MET 12 -8.679 0.659 -0.634 87 1HE MET 12 HE2 MET 12 -9.742 -1.448 0.175 88 2HE MET 12 HE1 MET 12 -11.181 -2.028 -0.653 89 3HE MET 12 HE3 MET 12 -9.648 -2.895 -0.819 90 H THR 13 HN THR 13 -13.679 0.705 0.915 91 HA THR 13 HA THR 13 -14.270 3.498 1.144 92 HB THR 13 HB THR 13 -15.299 3.324 -0.997 93 HG1 THR 13 HG1 THR 13 -17.489 3.599 -0.485 94 1HG2 THR 13 HG21 THR 13 -15.709 0.606 -0.164 95 2HG2 THR 13 HG23 THR 13 -17.244 1.281 -0.710 96 3HG2 THR 13 HG22 THR 13 -15.843 1.292 -1.782 97 H CYS 14 HN CYS 14 -13.918 1.025 2.835 98 HA CYS 14 HA CYS 14 -15.959 1.617 4.791 99 1HB CYS 14 HB2 CYS 14 -17.616 0.235 4.111 100 2HB CYS 14 HB1 CYS 14 -16.699 -0.060 2.641 101 H ALA 15 HN ALA 15 -15.826 -0.068 6.647 102 HA ALA 15 HA ALA 15 -13.010 -0.585 7.213 103 1HB ALA 15 HB3 ALA 15 -15.511 -0.331 8.581 104 2HB ALA 15 HB2 ALA 15 -14.796 -1.877 9.038 105 3HB ALA 15 HB1 ALA 15 -13.893 -0.382 9.281 106 H ALA 16 HN ALA 16 -12.702 -2.119 5.311 107 HA ALA 16 HA ALA 16 -12.724 -4.855 6.168 108 1HB ALA 16 HB1 ALA 16 -15.177 -3.805 5.159 109 2HB ALA 16 HB3 ALA 16 -14.555 -4.943 3.964 110 3HB ALA 16 HB2 ALA 16 -14.824 -5.468 5.627 111 H CYS 17 HN CYS 17 -13.090 -2.896 3.169 112 HA CYS 17 HA CYS 17 -11.166 -4.692 1.809 113 1HB CYS 17 HB2 CYS 17 -12.570 -2.273 0.667 114 2HB CYS 17 HB1 CYS 17 -11.981 -3.693 -0.184 115 HA PRO 18 HA PRO 18 -8.858 -0.471 1.467 116 1HB PRO 18 HB2 PRO 18 -9.557 1.178 3.674 117 2HB PRO 18 HB1 PRO 18 -9.908 1.476 1.976 118 1HG PRO 18 HG2 PRO 18 -11.755 0.753 4.067 119 2HG PRO 18 HG1 PRO 18 -12.107 1.135 2.381 120 1HD PRO 18 HD2 PRO 18 -12.162 -1.449 3.666 121 2HD PRO 18 HD1 PRO 18 -12.533 -1.067 1.970 122 H ILE 19 HN ILE 19 -9.921 -1.575 4.645 123 HA ILE 19 HA ILE 19 -7.490 -1.412 6.124 124 HB ILE 19 HB ILE 19 -10.015 -2.047 6.600 125 1HG1 ILE 19 HG12 ILE 19 -7.746 -3.393 8.089 126 2HG1 ILE 19 HG11 ILE 19 -8.279 -1.735 8.335 127 1HG2 ILE 19 HG22 ILE 19 -9.993 -4.092 5.237 128 2HG2 ILE 19 HG21 ILE 19 -8.751 -4.774 6.285 129 3HG2 ILE 19 HG23 ILE 19 -10.364 -4.451 6.921 130 1HD1 ILE 19 HD13 ILE 19 -10.128 -4.103 8.637 131 2HD1 ILE 19 HD12 ILE 19 -9.226 -3.411 9.985 132 3HD1 ILE 19 HD11 ILE 19 -10.425 -2.437 9.133 133 H THR 20 HN THR 20 -8.780 -3.796 3.868 134 HA THR 20 HA THR 20 -6.848 -5.884 4.220 135 HB THR 20 HB THR 20 -8.393 -5.039 1.736 136 HG1 THR 20 HG1 THR 20 -9.211 -6.946 3.639 137 1HG2 THR 20 HG21 THR 20 -6.583 -6.788 1.498 138 2HG2 THR 20 HG23 THR 20 -7.500 -7.792 2.620 139 3HG2 THR 20 HG22 THR 20 -8.202 -7.338 1.067 140 H VAL 21 HN VAL 21 -6.792 -2.805 2.690 141 HA VAL 21 HA VAL 21 -4.634 -3.262 0.844 142 HB VAL 21 HB VAL 21 -5.476 -0.700 2.237 143 1HG1 VAL 21 HG13 VAL 21 -3.971 -1.358 -0.290 144 2HG1 VAL 21 HG12 VAL 21 -4.792 0.190 -0.099 145 3HG1 VAL 21 HG11 VAL 21 -3.506 -0.269 1.017 146 1HG2 VAL 21 HG23 VAL 21 -6.616 -2.052 -0.229 147 2HG2 VAL 21 HG22 VAL 21 -7.461 -1.759 1.291 148 3HG2 VAL 21 HG21 VAL 21 -6.993 -0.402 0.266 149 H LYS 22 HN LYS 22 -4.937 -2.374 4.229 150 HA LYS 22 HA LYS 22 -2.207 -1.623 4.682 151 1HB LYS 22 HB2 LYS 22 -4.353 -1.307 6.124 152 2HB LYS 22 HB1 LYS 22 -4.044 -2.951 6.679 153 1HG LYS 22 HG2 LYS 22 -1.826 -2.317 7.470 154 2HG LYS 22 HG1 LYS 22 -2.031 -0.688 6.825 155 1HD LYS 22 HD2 LYS 22 -3.633 -0.113 8.440 156 2HD LYS 22 HD1 LYS 22 -4.013 -1.798 8.800 157 1HE LYS 22 HE2 LYS 22 -1.228 -0.777 9.322 158 2HE LYS 22 HE1 LYS 22 -2.520 -0.453 10.495 159 1HZ LYS 22 HZ2 LYS 22 -1.957 -3.137 9.356 160 2HZ LYS 22 HZ1 LYS 22 -1.355 -2.608 10.854 161 3HZ LYS 22 HZ3 LYS 22 -3.028 -2.763 10.621 162 H LYS 23 HN LYS 23 -4.042 -4.642 4.897 163 HA LYS 23 HA LYS 23 -1.850 -6.238 5.835 164 1HB LYS 23 HB2 LYS 23 -4.150 -6.954 6.088 165 2HB LYS 23 HB1 LYS 23 -4.410 -6.856 4.346 166 1HG LYS 23 HG2 LYS 23 -2.198 -8.613 5.309 167 2HG LYS 23 HG1 LYS 23 -3.852 -9.180 5.546 168 1HD LYS 23 HD2 LYS 23 -3.505 -8.062 2.888 169 2HD LYS 23 HD1 LYS 23 -2.351 -9.363 3.186 170 1HE LYS 23 HE2 LYS 23 -4.585 -10.497 4.228 171 2HE LYS 23 HE1 LYS 23 -5.310 -9.491 2.958 172 1HZ LYS 23 HZ1 LYS 23 -3.193 -10.405 1.668 173 2HZ LYS 23 HZ3 LYS 23 -3.439 -11.716 2.716 174 3HZ LYS 23 HZ2 LYS 23 -4.682 -11.225 1.667 175 H ALA 24 HN ALA 24 -2.842 -5.080 2.748 176 HA ALA 24 HA ALA 24 -1.423 -6.915 1.076 177 1HB ALA 24 HB1 ALA 24 -3.329 -5.361 0.485 178 2HB ALA 24 HB3 ALA 24 -2.170 -4.033 0.541 179 3HB ALA 24 HB2 ALA 24 -1.979 -5.321 -0.649 180 H LEU 25 HN LEU 25 -0.645 -3.526 1.992 181 HA LEU 25 HA LEU 25 1.970 -3.494 0.847 182 1HB LEU 25 HB2 LEU 25 1.084 -2.023 3.340 183 2HB LEU 25 HB1 LEU 25 2.228 -1.477 2.115 184 HG LEU 25 HG LEU 25 -0.270 -2.096 0.843 185 1HD1 LEU 25 HD13 LEU 25 -0.970 -1.601 3.305 186 2HD1 LEU 25 HD12 LEU 25 -0.559 0.068 2.916 187 3HD1 LEU 25 HD11 LEU 25 -1.819 -0.767 2.005 188 1HD2 LEU 25 HD21 LEU 25 1.695 0.080 1.073 189 2HD2 LEU 25 HD23 LEU 25 0.783 -0.464 -0.336 190 3HD2 LEU 25 HD22 LEU 25 0.046 0.652 0.815 191 H SER 26 HN SER 26 0.810 -4.490 4.052 192 HA SER 26 HA SER 26 3.436 -4.888 5.196 193 1HB SER 26 HB2 SER 26 0.959 -4.682 6.181 194 2HB SER 26 HB1 SER 26 1.018 -6.437 6.051 195 HG SER 26 HG SER 26 2.001 -6.231 7.915 196 H LYS 27 HN LYS 27 1.404 -6.675 3.033 197 HA LYS 27 HA LYS 27 3.130 -9.081 3.387 198 1HB LYS 27 HB2 LYS 27 0.282 -8.607 2.544 199 2HB LYS 27 HB1 LYS 27 1.098 -10.101 2.083 200 1HG LYS 27 HG2 LYS 27 -0.206 -10.213 4.262 201 2HG LYS 27 HG1 LYS 27 1.487 -10.697 4.377 202 1HD LYS 27 HD2 LYS 27 2.110 -8.739 5.486 203 2HD LYS 27 HD1 LYS 27 0.732 -7.833 4.863 204 1HE LYS 27 HE2 LYS 27 0.205 -8.246 7.155 205 2HE LYS 27 HE1 LYS 27 -0.735 -9.450 6.251 206 1HZ LYS 27 HZ2 LYS 27 1.077 -11.026 6.523 207 2HZ LYS 27 HZ1 LYS 27 1.973 -9.882 7.403 208 3HZ LYS 27 HZ3 LYS 27 0.527 -10.497 8.042 209 H VAL 28 HN VAL 28 3.150 -6.437 1.563 210 HA VAL 28 HA VAL 28 3.027 -7.375 -1.148 211 HB VAL 28 HB VAL 28 2.898 -5.012 -0.425 212 1HG1 VAL 28 HG12 VAL 28 4.792 -5.460 1.333 213 2HG1 VAL 28 HG11 VAL 28 5.875 -5.039 0.007 214 3HG1 VAL 28 HG13 VAL 28 4.680 -3.873 0.576 215 1HG2 VAL 28 HG21 VAL 28 5.252 -5.677 -2.221 216 2HG2 VAL 28 HG23 VAL 28 3.576 -5.468 -2.728 217 3HG2 VAL 28 HG22 VAL 28 4.492 -4.090 -2.117 218 H GLU 29 HN GLU 29 5.778 -6.984 1.113 219 HA GLU 29 HA GLU 29 7.270 -9.212 0.367 220 1HB GLU 29 HB2 GLU 29 7.168 -7.130 -1.683 221 2HB GLU 29 HB1 GLU 29 8.824 -7.547 -1.237 222 1HG GLU 29 HG2 GLU 29 7.464 -9.996 -1.369 223 2HG GLU 29 HG1 GLU 29 6.910 -9.082 -2.772 224 H GLY 30 HN GLY 30 8.754 -6.043 -0.081 225 1HA GLY 30 HA2 GLY 30 10.454 -6.547 2.273 226 2HA GLY 30 HA1 GLY 30 10.701 -5.287 1.070 227 H VAL 31 HN VAL 31 7.495 -5.116 1.920 228 HA VAL 31 HA VAL 31 7.492 -2.601 3.097 229 HB VAL 31 HB VAL 31 5.504 -3.877 2.453 230 1HG1 VAL 31 HG11 VAL 31 6.681 -5.942 3.838 231 2HG1 VAL 31 HG13 VAL 31 5.396 -5.447 4.942 232 3HG1 VAL 31 HG12 VAL 31 5.004 -5.928 3.290 233 1HG2 VAL 31 HG23 VAL 31 5.737 -2.193 4.630 234 2HG2 VAL 31 HG22 VAL 31 4.211 -2.739 3.935 235 3HG2 VAL 31 HG21 VAL 31 4.903 -3.587 5.318 236 H SER 32 HN SER 32 8.280 -1.772 4.921 237 HA SER 32 HA SER 32 9.051 -3.644 7.129 238 1HB SER 32 HB2 SER 32 10.238 -1.185 5.903 239 2HB SER 32 HB1 SER 32 10.543 -1.487 7.612 240 HG SER 32 HG SER 32 12.074 -2.698 6.777 241 H LYS 33 HN LYS 33 7.044 -1.048 6.200 242 HA LYS 33 HA LYS 33 5.918 -0.898 8.932 243 1HB LYS 33 HB2 LYS 33 7.475 0.752 9.360 244 2HB LYS 33 HB1 LYS 33 7.648 1.174 7.661 245 1HG LYS 33 HG2 LYS 33 5.588 2.418 7.678 246 2HG LYS 33 HG1 LYS 33 5.171 1.812 9.281 247 1HD LYS 33 HD2 LYS 33 7.775 3.016 9.396 248 2HD LYS 33 HD1 LYS 33 6.654 4.151 8.642 249 1HE LYS 33 HE2 LYS 33 5.080 3.312 10.663 250 2HE LYS 33 HE1 LYS 33 6.668 3.084 11.424 251 1HZ LYS 33 HZ2 LYS 33 5.882 5.545 9.962 252 2HZ LYS 33 HZ1 LYS 33 5.756 5.379 11.648 253 3HZ LYS 33 HZ3 LYS 33 7.278 5.307 10.902 254 H VAL 34 HN VAL 34 3.825 0.315 8.900 255 HA VAL 34 HA VAL 34 2.790 1.032 6.215 256 HB VAL 34 HB VAL 34 2.566 -1.435 6.505 257 1HG1 VAL 34 HG11 VAL 34 1.644 -0.564 9.113 258 2HG1 VAL 34 HG13 VAL 34 0.435 -1.587 8.337 259 3HG1 VAL 34 HG12 VAL 34 2.077 -2.186 8.574 260 1HG2 VAL 34 HG23 VAL 34 0.093 0.303 6.441 261 2HG2 VAL 34 HG22 VAL 34 0.924 -0.466 5.090 262 3HG2 VAL 34 HG21 VAL 34 -0.002 -1.445 6.225 263 H ASP 35 HN ASP 35 0.737 2.133 6.330 264 HA ASP 35 HA ASP 35 -0.624 2.683 8.825 265 1HB ASP 35 HB2 ASP 35 1.732 3.993 8.620 266 2HB ASP 35 HB1 ASP 35 0.713 5.116 7.719 267 H VAL 36 HN VAL 36 -2.352 2.077 7.330 268 HA VAL 36 HA VAL 36 -2.829 3.985 5.083 269 HB VAL 36 HB VAL 36 -4.127 2.164 4.157 270 1HG1 VAL 36 HG12 VAL 36 -1.443 2.054 4.555 271 2HG1 VAL 36 HG11 VAL 36 -1.934 0.560 5.353 272 3HG1 VAL 36 HG13 VAL 36 -2.338 0.827 3.657 273 1HG2 VAL 36 HG23 VAL 36 -4.965 1.566 6.596 274 2HG2 VAL 36 HG22 VAL 36 -4.876 0.314 5.361 275 3HG2 VAL 36 HG21 VAL 36 -3.599 0.452 6.568 276 H GLY 37 HN GLY 37 -5.534 3.403 4.754 277 1HA GLY 37 HA2 GLY 37 -6.905 4.203 7.249 278 2HA GLY 37 HA1 GLY 37 -7.042 5.285 5.857 279 H PHE 38 HN PHE 38 -8.472 2.706 7.376 280 HA PHE 38 HA PHE 38 -9.344 0.969 5.362 281 1HB PHE 38 HB2 PHE 38 -10.945 1.919 7.754 282 2HB PHE 38 HB1 PHE 38 -10.985 0.324 7.003 283 HD1 PHE 38 HD1 PHE 38 -7.746 0.614 6.637 284 HD2 PHE 38 HD2 PHE 38 -10.508 0.710 9.926 285 HE1 PHE 38 HE1 PHE 38 -5.933 -0.092 8.178 286 HE2 PHE 38 HE2 PHE 38 -8.699 -0.001 11.464 287 HZ PHE 38 HZ PHE 38 -6.412 -0.398 10.592 288 H GLU 39 HN GLU 39 -12.144 2.517 6.620 289 HA GLU 39 HA GLU 39 -13.422 2.996 4.195 290 1HB GLU 39 HB2 GLU 39 -14.113 3.217 6.731 291 2HB GLU 39 HB1 GLU 39 -13.707 4.917 6.490 292 1HG GLU 39 HG2 GLU 39 -15.371 5.211 4.850 293 2HG GLU 39 HG1 GLU 39 -15.508 3.479 4.549 294 H LYS 40 HN LYS 40 -11.081 5.093 5.859 295 HA LYS 40 HA LYS 40 -11.402 7.506 4.454 296 1HB LYS 40 HB2 LYS 40 -9.871 7.005 6.376 297 2HB LYS 40 HB1 LYS 40 -8.804 6.159 5.254 298 1HG LYS 40 HG2 LYS 40 -8.244 8.128 4.100 299 2HG LYS 40 HG1 LYS 40 -9.658 8.993 4.702 300 1HD LYS 40 HD2 LYS 40 -8.494 8.484 7.054 301 2HD LYS 40 HD1 LYS 40 -7.048 8.464 6.045 302 1HE LYS 40 HE2 LYS 40 -7.734 10.701 5.113 303 2HE LYS 40 HE1 LYS 40 -9.049 10.733 6.305 304 1HZ LYS 40 HZ2 LYS 40 -7.351 10.288 8.035 305 2HZ LYS 40 HZ1 LYS 40 -6.142 10.497 6.860 306 3HZ LYS 40 HZ3 LYS 40 -7.154 11.794 7.272 307 H ARG 41 HN ARG 41 -9.553 4.629 3.499 308 HA ARG 41 HA ARG 41 -9.066 3.825 1.316 309 1HB ARG 41 HB2 ARG 41 -11.127 5.205 0.718 310 2HB ARG 41 HB1 ARG 41 -10.013 6.502 0.304 311 1HG ARG 41 HG2 ARG 41 -9.530 3.772 -0.828 312 2HG ARG 41 HG1 ARG 41 -10.794 4.764 -1.540 313 1HD ARG 41 HD2 ARG 41 -7.823 5.350 -1.392 314 2HD ARG 41 HD1 ARG 41 -8.853 5.298 -2.827 315 HE ARG 41 HE ARG 41 -8.431 7.587 -1.130 316 1HH1 ARG 41 HH21 ARG 41 -10.902 5.917 -2.857 317 2HH1 ARG 41 HH22 ARG 41 -12.057 7.193 -2.688 318 1HH2 ARG 41 HH11 ARG 41 -9.914 9.262 -0.920 319 2HH2 ARG 41 HH12 ARG 41 -11.496 9.090 -1.603 320 H GLU 42 HN GLU 42 -6.907 4.307 2.495 321 HA GLU 42 HA GLU 42 -5.170 5.639 0.567 322 1HB GLU 42 HB2 GLU 42 -6.328 7.511 1.846 323 2HB GLU 42 HB1 GLU 42 -5.456 6.965 3.278 324 1HG GLU 42 HG2 GLU 42 -3.339 7.458 2.307 325 2HG GLU 42 HG1 GLU 42 -4.034 7.623 0.695 326 H ALA 43 HN ALA 43 -3.352 4.350 0.660 327 HA ALA 43 HA ALA 43 -2.637 3.180 3.319 328 1HB ALA 43 HB3 ALA 43 -2.493 2.279 0.468 329 2HB ALA 43 HB2 ALA 43 -1.369 1.586 1.638 330 3HB ALA 43 HB1 ALA 43 -3.108 1.417 1.878 331 H VAL 44 HN VAL 44 -0.916 4.201 4.258 332 HA VAL 44 HA VAL 44 1.231 5.283 2.471 333 HB VAL 44 HB VAL 44 0.031 6.021 5.114 334 1HG1 VAL 44 HG13 VAL 44 2.928 6.056 4.502 335 2HG1 VAL 44 HG12 VAL 44 2.274 7.575 5.118 336 3HG1 VAL 44 HG11 VAL 44 2.107 6.096 6.063 337 1HG2 VAL 44 HG21 VAL 44 -0.346 7.121 2.789 338 2HG2 VAL 44 HG23 VAL 44 -0.060 8.176 4.173 339 3HG2 VAL 44 HG22 VAL 44 1.247 7.834 3.039 340 H VAL 45 HN VAL 45 2.940 3.873 2.342 341 HA VAL 45 HA VAL 45 3.598 2.347 4.849 342 HB VAL 45 HB VAL 45 3.487 1.269 2.023 343 1HG1 VAL 45 HG13 VAL 45 4.981 0.240 3.931 344 2HG1 VAL 45 HG12 VAL 45 3.440 -0.360 4.545 345 3HG1 VAL 45 HG11 VAL 45 3.985 -0.819 2.932 346 1HG2 VAL 45 HG23 VAL 45 1.435 1.613 4.130 347 2HG2 VAL 45 HG22 VAL 45 1.239 1.422 2.388 348 3HG2 VAL 45 HG21 VAL 45 1.503 0.007 3.405 349 H THR 46 HN THR 46 5.717 1.600 5.022 350 HA THR 46 HA THR 46 7.752 2.942 3.272 351 HB THR 46 HB THR 46 7.555 2.282 6.213 352 HG1 THR 46 HG1 THR 46 7.263 4.349 6.161 353 1HG2 THR 46 HG22 THR 46 9.696 1.340 5.384 354 2HG2 THR 46 HG21 THR 46 10.107 2.916 4.707 355 3HG2 THR 46 HG23 THR 46 9.955 2.719 6.453 356 H PHE 47 HN PHE 47 9.720 1.533 2.940 357 HA PHE 47 HA PHE 47 9.619 -1.253 3.729 358 1HB PHE 47 HB2 PHE 47 9.029 -2.156 1.527 359 2HB PHE 47 HB1 PHE 47 7.750 -1.075 2.085 360 HD1 PHE 47 HD1 PHE 47 7.432 1.138 1.100 361 HD2 PHE 47 HD2 PHE 47 10.536 -1.494 -0.307 362 HE1 PHE 47 HE1 PHE 47 7.724 2.548 -0.915 363 HE2 PHE 47 HE2 PHE 47 10.822 -0.073 -2.311 364 HZ PHE 47 HZ PHE 47 9.417 1.940 -2.618 365 H ASP 48 HN ASP 48 11.114 -2.514 2.065 366 HA ASP 48 HA ASP 48 13.538 -0.818 1.700 367 1HB ASP 48 HB2 ASP 48 13.113 -3.814 2.007 368 2HB ASP 48 HB1 ASP 48 14.688 -3.053 1.784 369 H ASP 49 HN ASP 49 13.710 -0.186 -0.410 370 HA ASP 49 HA ASP 49 12.207 -1.324 -2.542 371 1HB ASP 49 HB2 ASP 49 12.864 0.817 -3.014 372 2HB ASP 49 HB1 ASP 49 14.382 0.652 -2.137 373 H THR 50 HN THR 50 14.946 -2.585 -0.981 374 HA THR 50 HA THR 50 16.306 -3.832 -3.197 375 HB THR 50 HB THR 50 17.070 -3.445 -0.780 376 HG1 THR 50 HG1 THR 50 17.306 -6.123 -1.651 377 1HG2 THR 50 HG22 THR 50 14.950 -4.433 0.183 378 2HG2 THR 50 HG21 THR 50 15.549 -6.019 -0.305 379 3HG2 THR 50 HG23 THR 50 16.440 -5.067 0.883 380 H LYS 51 HN LYS 51 13.437 -4.613 -1.341 381 HA LYS 51 HA LYS 51 13.091 -7.090 -2.992 382 1HB LYS 51 HB2 LYS 51 13.066 -6.595 -0.074 383 2HB LYS 51 HB1 LYS 51 11.741 -7.599 -0.666 384 1HG LYS 51 HG2 LYS 51 13.275 -9.160 -1.676 385 2HG LYS 51 HG1 LYS 51 14.646 -8.096 -1.361 386 1HD LYS 51 HD2 LYS 51 14.777 -9.674 0.381 387 2HD LYS 51 HD1 LYS 51 13.956 -8.306 1.134 388 1HE LYS 51 HE2 LYS 51 11.916 -9.860 -0.067 389 2HE LYS 51 HE1 LYS 51 12.978 -10.999 0.783 390 1HZ LYS 51 HZ2 LYS 51 12.956 -9.096 2.566 391 2HZ LYS 51 HZ1 LYS 51 11.460 -8.729 1.850 392 3HZ LYS 51 HZ3 LYS 51 11.721 -10.262 2.526 393 H ALA 52 HN ALA 52 11.922 -4.050 -2.326 394 HA ALA 52 HA ALA 52 9.246 -4.742 -3.423 395 1HB ALA 52 HB3 ALA 52 9.685 -4.454 -0.710 396 2HB ALA 52 HB2 ALA 52 9.173 -2.834 -1.183 397 3HB ALA 52 HB1 ALA 52 8.130 -4.218 -1.509 398 H SER 53 HN SER 53 8.049 -2.299 -3.304 399 HA SER 53 HA SER 53 9.704 -0.021 -3.841 400 1HB SER 53 HB2 SER 53 8.864 -0.420 -6.460 401 2HB SER 53 HB1 SER 53 10.498 -0.686 -5.859 402 HG SER 53 HG SER 53 9.974 -2.621 -6.654 403 H VAL 54 HN VAL 54 8.362 1.810 -4.520 404 HA VAL 54 HA VAL 54 5.800 2.015 -3.519 405 HB VAL 54 HB VAL 54 5.649 3.961 -4.947 406 1HG1 VAL 54 HG12 VAL 54 7.694 3.548 -3.247 407 2HG1 VAL 54 HG11 VAL 54 8.604 3.809 -4.735 408 3HG1 VAL 54 HG13 VAL 54 7.497 5.051 -4.149 409 1HG2 VAL 54 HG23 VAL 54 7.792 2.610 -6.608 410 2HG2 VAL 54 HG22 VAL 54 6.114 2.861 -7.089 411 3HG2 VAL 54 HG21 VAL 54 7.188 4.244 -6.880 412 H GLN 55 HN GLN 55 6.770 0.879 -6.748 413 HA GLN 55 HA GLN 55 4.138 0.560 -7.836 414 1HB GLN 55 HB2 GLN 55 6.793 0.221 -8.611 415 2HB GLN 55 HB1 GLN 55 6.143 -1.418 -8.653 416 1HG GLN 55 HG2 GLN 55 5.182 -0.928 -10.628 417 2HG GLN 55 HG1 GLN 55 4.151 0.229 -9.786 418 1HE2 GLN 55 HE22 GLN 55 6.792 2.847 -10.443 419 2HE2 GLN 55 HE21 GLN 55 6.215 2.112 -9.026 420 H LYS 56 HN LYS 56 6.287 -1.663 -6.054 421 HA LYS 56 HA LYS 56 4.561 -3.946 -6.117 422 1HB LYS 56 HB2 LYS 56 7.101 -3.233 -5.213 423 2HB LYS 56 HB1 LYS 56 6.233 -3.669 -3.740 424 1HG LYS 56 HG2 LYS 56 6.262 -5.860 -4.275 425 2HG LYS 56 HG1 LYS 56 5.656 -5.533 -5.899 426 1HD LYS 56 HD2 LYS 56 8.079 -4.692 -6.377 427 2HD LYS 56 HD1 LYS 56 8.507 -5.612 -4.935 428 1HE LYS 56 HE2 LYS 56 7.399 -7.629 -5.965 429 2HE LYS 56 HE1 LYS 56 7.198 -6.686 -7.455 430 1HZ LYS 56 HZ1 LYS 56 9.795 -7.011 -6.054 431 2HZ LYS 56 HZ3 LYS 56 9.309 -7.990 -7.351 432 3HZ LYS 56 HZ2 LYS 56 9.530 -6.321 -7.584 433 H LEU 57 HN LEU 57 4.560 -1.052 -4.091 434 HA LEU 57 HA LEU 57 2.984 -2.157 -1.925 435 1HB LEU 57 HB2 LEU 57 3.159 0.695 -2.952 436 2HB LEU 57 HB1 LEU 57 2.713 0.191 -1.324 437 HG LEU 57 HG LEU 57 5.418 -0.331 -2.600 438 1HD1 LEU 57 HD13 LEU 57 4.455 2.091 -1.791 439 2HD1 LEU 57 HD12 LEU 57 5.149 1.486 -0.286 440 3HD1 LEU 57 HD11 LEU 57 6.158 1.636 -1.725 441 1HD2 LEU 57 HD21 LEU 57 4.265 -0.793 0.164 442 2HD2 LEU 57 HD23 LEU 57 4.983 -1.986 -0.919 443 3HD2 LEU 57 HD22 LEU 57 6.000 -0.767 -0.151 444 H THR 58 HN THR 58 2.113 -0.017 -4.655 445 HA THR 58 HA THR 58 -0.728 -0.247 -4.311 446 HB THR 58 HB THR 58 1.146 0.512 -6.560 447 HG1 THR 58 HG1 THR 58 -0.820 2.045 -5.239 448 1HG2 THR 58 HG21 THR 58 -1.782 -0.010 -6.649 449 2HG2 THR 58 HG23 THR 58 -1.213 1.453 -7.454 450 3HG2 THR 58 HG22 THR 58 -0.579 -0.122 -7.934 451 H LYS 59 HN LYS 59 1.715 -2.284 -5.692 452 HA LYS 59 HA LYS 59 -0.121 -3.870 -7.329 453 1HB LYS 59 HB2 LYS 59 2.769 -3.807 -6.583 454 2HB LYS 59 HB1 LYS 59 2.116 -5.338 -7.172 455 1HG LYS 59 HG2 LYS 59 1.244 -4.198 -9.177 456 2HG LYS 59 HG1 LYS 59 1.901 -2.669 -8.593 457 1HD LYS 59 HD2 LYS 59 4.112 -3.329 -8.945 458 2HD LYS 59 HD1 LYS 59 3.713 -5.047 -8.876 459 1HE LYS 59 HE2 LYS 59 4.012 -4.726 -11.182 460 2HE LYS 59 HE1 LYS 59 2.262 -4.475 -11.020 461 1HZ LYS 59 HZ3 LYS 59 3.143 -2.061 -10.388 462 2HZ LYS 59 HZ2 LYS 59 4.380 -2.522 -11.458 463 3HZ LYS 59 HZ1 LYS 59 2.764 -2.504 -11.981 464 H ALA 60 HN ALA 60 1.068 -3.834 -4.040 465 HA ALA 60 HA ALA 60 0.429 -6.611 -3.437 466 1HB ALA 60 HB2 ALA 60 1.649 -4.340 -2.214 467 2HB ALA 60 HB1 ALA 60 0.339 -4.856 -1.152 468 3HB ALA 60 HB3 ALA 60 1.609 -5.994 -1.602 469 H THR 61 HN THR 61 -1.220 -3.474 -2.967 470 HA THR 61 HA THR 61 -3.627 -4.713 -1.836 471 HB THR 61 HB THR 61 -2.821 -2.382 -1.418 472 HG1 THR 61 HG1 THR 61 -5.006 -2.855 -1.132 473 1HG2 THR 61 HG21 THR 61 -2.000 -1.916 -3.692 474 2HG2 THR 61 HG23 THR 61 -3.655 -1.966 -4.299 475 3HG2 THR 61 HG22 THR 61 -3.163 -0.691 -3.184 476 H ALA 62 HN ALA 62 -2.439 -3.612 -4.958 477 HA ALA 62 HA ALA 62 -4.855 -3.902 -6.466 478 1HB ALA 62 HB3 ALA 62 -1.910 -4.185 -7.141 479 2HB ALA 62 HB2 ALA 62 -3.182 -4.144 -8.360 480 3HB ALA 62 HB1 ALA 62 -2.898 -2.738 -7.332 481 H ASP 63 HN ASP 63 -2.412 -6.109 -5.251 482 HA ASP 63 HA ASP 63 -3.367 -8.412 -6.786 483 1HB ASP 63 HB2 ASP 63 -1.008 -7.960 -5.878 484 2HB ASP 63 HB1 ASP 63 -1.656 -8.339 -4.282 485 H ALA 64 HN ALA 64 -4.076 -6.794 -3.787 486 HA ALA 64 HA ALA 64 -5.486 -9.026 -2.549 487 1HB ALA 64 HB2 ALA 64 -4.369 -7.042 -1.409 488 2HB ALA 64 HB1 ALA 64 -5.690 -6.047 -2.021 489 3HB ALA 64 HB3 ALA 64 -6.024 -7.353 -0.883 490 H GLY 65 HN GLY 65 -6.118 -6.783 -5.038 491 1HA GLY 65 HA2 GLY 65 -8.134 -7.106 -6.421 492 2HA GLY 65 HA1 GLY 65 -9.014 -7.474 -4.940 493 H TYR 66 HN TYR 66 -6.671 -4.889 -5.225 494 HA TYR 66 HA TYR 66 -8.901 -2.897 -5.185 495 1HB TYR 66 HB2 TYR 66 -6.512 -3.130 -3.320 496 2HB TYR 66 HB1 TYR 66 -7.685 -1.813 -3.296 497 HD1 TYR 66 HD1 TYR 66 -10.203 -3.187 -3.819 498 HD2 TYR 66 HD2 TYR 66 -6.915 -4.384 -1.316 499 HE1 TYR 66 HE1 TYR 66 -11.747 -4.546 -2.434 500 HE2 TYR 66 HE2 TYR 66 -8.459 -5.749 0.052 501 HH TYR 66 HH TYR 66 -11.030 -6.894 -0.651 502 HA PRO 67 HA PRO 67 -5.681 -1.868 -8.371 503 1HB PRO 67 HB2 PRO 67 -7.809 -0.274 -9.528 504 2HB PRO 67 HB1 PRO 67 -7.023 -1.707 -10.199 505 1HG PRO 67 HG2 PRO 67 -9.664 -1.511 -9.107 506 2HG PRO 67 HG1 PRO 67 -8.860 -2.950 -9.740 507 1HD PRO 67 HD2 PRO 67 -9.495 -2.366 -6.997 508 2HD PRO 67 HD1 PRO 67 -8.620 -3.783 -7.630 509 H SER 68 HN SER 68 -4.516 -0.521 -6.932 510 HA SER 68 HA SER 68 -5.745 2.119 -6.245 511 1HB SER 68 HB2 SER 68 -4.911 0.497 -4.498 512 2HB SER 68 HB1 SER 68 -3.287 0.750 -5.127 513 HG SER 68 HG SER 68 -3.531 2.214 -3.511 514 H SER 69 HN SER 69 -3.678 3.699 -5.756 515 HA SER 69 HA SER 69 -1.768 3.692 -8.033 516 1HB SER 69 HB2 SER 69 -4.207 5.282 -7.783 517 2HB SER 69 HB1 SER 69 -2.782 6.309 -7.906 518 HG SER 69 HG SER 69 -3.427 5.828 -9.970 519 H VAL 70 HN VAL 70 0.182 4.166 -7.040 520 HA VAL 70 HA VAL 70 0.140 5.447 -4.389 521 HB VAL 70 HB VAL 70 1.377 3.384 -4.789 522 1HG1 VAL 70 HG12 VAL 70 2.448 4.995 -7.072 523 2HG1 VAL 70 HG11 VAL 70 3.514 3.803 -6.326 524 3HG1 VAL 70 HG13 VAL 70 1.976 3.296 -7.024 525 1HG2 VAL 70 HG21 VAL 70 2.377 5.639 -3.557 526 2HG2 VAL 70 HG23 VAL 70 3.115 4.039 -3.470 527 3HG2 VAL 70 HG22 VAL 70 3.686 5.211 -4.658 528 H LYS 71 HN LYS 71 1.540 7.275 -3.911 529 HA LYS 71 HA LYS 71 2.618 8.718 -6.253 530 1HB LYS 71 HB2 LYS 71 1.182 10.724 -5.657 531 2HB LYS 71 HB1 LYS 71 0.282 9.342 -6.286 532 1HG LYS 71 HG2 LYS 71 -0.901 9.205 -4.380 533 2HG LYS 71 HG1 LYS 71 0.587 9.041 -3.447 534 1HD LYS 71 HD2 LYS 71 -0.168 11.017 -2.541 535 2HD LYS 71 HD1 LYS 71 0.707 11.676 -3.924 536 1HE LYS 71 HE2 LYS 71 -1.295 11.960 -5.193 537 2HE LYS 71 HE1 LYS 71 -2.229 10.940 -4.081 538 1HZ LYS 71 HZ2 LYS 71 -1.230 12.702 -2.377 539 2HZ LYS 71 HZ1 LYS 71 -1.331 13.691 -3.755 540 3HZ LYS 71 HZ3 LYS 71 -2.723 12.929 -3.156 541 H GLN 72 HN GLN 72 3.973 7.672 -4.061 542 HA GLN 72 HA GLN 72 5.107 8.264 -1.997 543 1HB GLN 72 HB2 GLN 72 6.920 9.880 -2.841 544 2HB GLN 72 HB1 GLN 72 6.705 8.383 -3.745 545 1HG GLN 72 HG2 GLN 72 6.824 10.077 -5.401 546 2HG GLN 72 HG1 GLN 72 5.106 9.726 -5.253 547 1HE2 GLN 72 HE22 GLN 72 6.505 13.243 -3.619 548 2HE2 GLN 72 HE21 GLN 72 7.543 11.903 -3.701 No H/Q in entry = 548 Start of MODEL 20 1 1H ALA 1 HT3 ALA 1 18.298 0.665 1.733 2 2H ALA 1 HT2 ALA 1 19.285 1.584 0.699 3 3H ALA 1 HT1 ALA 1 18.902 2.163 2.250 4 HA ALA 1 HA ALA 1 17.500 3.371 0.817 5 1HB ALA 1 HB1 ALA 1 18.124 1.434 -0.915 6 2HB ALA 1 HB3 ALA 1 16.520 0.852 -0.469 7 3HB ALA 1 HB2 ALA 1 16.713 2.461 -1.165 8 H THR 2 HN THR 2 15.465 3.866 1.662 9 HA THR 2 HA THR 2 13.500 2.016 2.392 10 HB THR 2 HB THR 2 14.952 1.332 4.122 11 HG1 THR 2 HG1 THR 2 13.248 3.319 5.187 12 1HG2 THR 2 HG23 THR 2 15.529 4.265 4.391 13 2HG2 THR 2 HG22 THR 2 15.880 3.156 5.717 14 3HG2 THR 2 HG21 THR 2 16.665 2.937 4.153 15 H GLN 3 HN GLN 3 11.982 3.334 1.740 16 HA GLN 3 HA GLN 3 11.826 6.084 2.943 17 1HB GLN 3 HB2 GLN 3 11.131 6.897 0.763 18 2HB GLN 3 HB1 GLN 3 12.615 5.968 0.552 19 1HG GLN 3 HG2 GLN 3 11.430 4.079 -0.285 20 2HG GLN 3 HG1 GLN 3 9.877 4.735 0.234 21 1HE2 GLN 3 HE22 GLN 3 11.660 6.496 -3.040 22 2HE2 GLN 3 HE21 GLN 3 12.645 5.886 -1.798 23 H THR 4 HN THR 4 9.531 7.003 2.604 24 HA THR 4 HA THR 4 7.485 4.843 2.994 25 HB THR 4 HB THR 4 7.537 7.558 4.339 26 HG1 THR 4 HG1 THR 4 9.292 6.690 5.193 27 1HG2 THR 4 HG21 THR 4 5.430 6.091 4.197 28 2HG2 THR 4 HG23 THR 4 6.272 4.987 5.285 29 3HG2 THR 4 HG22 THR 4 5.918 6.636 5.802 30 H VAL 5 HN VAL 5 5.609 5.137 1.815 31 HA VAL 5 HA VAL 5 5.199 7.762 0.406 32 HB VAL 5 HB VAL 5 4.616 6.428 -1.592 33 1HG1 VAL 5 HG13 VAL 5 7.198 6.756 -0.444 34 2HG1 VAL 5 HG12 VAL 5 7.167 5.168 -1.209 35 3HG1 VAL 5 HG11 VAL 5 6.786 6.608 -2.152 36 1HG2 VAL 5 HG22 VAL 5 5.088 4.187 0.342 37 2HG2 VAL 5 HG21 VAL 5 3.846 4.351 -0.898 38 3HG2 VAL 5 HG23 VAL 5 5.499 3.938 -1.353 39 H THR 6 HN THR 6 2.910 7.910 -0.390 40 HA THR 6 HA THR 6 1.054 6.649 1.572 41 HB THR 6 HB THR 6 -0.321 8.667 0.437 42 HG1 THR 6 HG1 THR 6 1.562 10.304 0.265 43 1HG2 THR 6 HG21 THR 6 1.689 8.624 2.636 44 2HG2 THR 6 HG23 THR 6 1.037 10.188 2.151 45 3HG2 THR 6 HG22 THR 6 -0.048 8.918 2.712 46 H LEU 7 HN LEU 7 -0.983 5.851 0.617 47 HA LEU 7 HA LEU 7 -0.779 5.370 -2.327 48 1HB LEU 7 HB2 LEU 7 -0.418 3.533 -0.142 49 2HB LEU 7 HB1 LEU 7 -1.864 3.067 -1.040 50 HG LEU 7 HG LEU 7 -0.618 3.028 -3.122 51 1HD1 LEU 7 HD11 LEU 7 1.580 4.156 -1.407 52 2HD1 LEU 7 HD13 LEU 7 1.921 3.354 -2.940 53 3HD1 LEU 7 HD12 LEU 7 0.914 4.797 -2.904 54 1HD2 LEU 7 HD21 LEU 7 0.003 1.351 -0.865 55 2HD2 LEU 7 HD23 LEU 7 -0.010 0.919 -2.575 56 3HD2 LEU 7 HD22 LEU 7 1.459 1.558 -1.838 57 H ALA 8 HN ALA 8 -2.775 5.015 -3.354 58 HA ALA 8 HA ALA 8 -5.216 5.657 -1.717 59 1HB ALA 8 HB1 ALA 8 -4.411 6.557 -4.506 60 2HB ALA 8 HB3 ALA 8 -5.970 6.905 -3.758 61 3HB ALA 8 HB2 ALA 8 -4.492 7.570 -3.064 62 H VAL 9 HN VAL 9 -6.531 3.852 -1.744 63 HA VAL 9 HA VAL 9 -6.449 2.114 -4.193 64 HB VAL 9 HB VAL 9 -7.216 1.567 -1.313 65 1HG1 VAL 9 HG12 VAL 9 -8.111 0.226 -3.542 66 2HG1 VAL 9 HG11 VAL 9 -6.654 -0.678 -3.132 67 3HG1 VAL 9 HG13 VAL 9 -7.940 -0.492 -1.940 68 1HG2 VAL 9 HG21 VAL 9 -4.705 1.490 -2.833 69 2HG2 VAL 9 HG23 VAL 9 -4.962 1.470 -1.088 70 3HG2 VAL 9 HG22 VAL 9 -5.068 -0.028 -2.013 71 HA PRO 10 HA PRO 10 -10.738 3.986 -4.078 72 1HB PRO 10 HB2 PRO 10 -10.655 4.306 -6.888 73 2HB PRO 10 HB1 PRO 10 -10.464 5.578 -5.677 74 1HG PRO 10 HG2 PRO 10 -8.446 4.409 -7.416 75 2HG PRO 10 HG1 PRO 10 -8.321 5.827 -6.370 76 1HD PRO 10 HD2 PRO 10 -7.156 3.243 -5.937 77 2HD PRO 10 HD1 PRO 10 -7.131 4.640 -4.837 78 H GLY 11 HN GLY 11 -9.074 1.413 -5.671 79 1HA GLY 11 HA2 GLY 11 -10.913 0.176 -7.319 80 2HA GLY 11 HA1 GLY 11 -9.865 -0.738 -6.233 81 H MET 12 HN MET 12 -10.894 0.132 -3.763 82 HA MET 12 HA MET 12 -13.797 -0.425 -3.793 83 1HB MET 12 HB2 MET 12 -11.654 -2.258 -2.703 84 2HB MET 12 HB1 MET 12 -13.338 -2.369 -2.189 85 1HG MET 12 HG2 MET 12 -12.328 -2.620 -5.039 86 2HG MET 12 HG1 MET 12 -12.907 -3.942 -4.026 87 1HE MET 12 HE1 MET 12 -14.825 -4.381 -3.234 88 2HE MET 12 HE3 MET 12 -15.944 -3.085 -2.792 89 3HE MET 12 HE2 MET 12 -16.336 -4.178 -4.115 90 H THR 13 HN THR 13 -14.785 0.485 -1.971 91 HA THR 13 HA THR 13 -13.006 1.430 0.245 92 HB THR 13 HB THR 13 -13.378 3.288 -1.241 93 HG1 THR 13 HG1 THR 13 -13.894 4.491 0.382 94 1HG2 THR 13 HG21 THR 13 -16.241 2.327 -1.195 95 2HG2 THR 13 HG23 THR 13 -15.806 3.948 -1.738 96 3HG2 THR 13 HG22 THR 13 -15.183 2.536 -2.592 97 H CYS 14 HN CYS 14 -14.011 -0.568 1.308 98 HA CYS 14 HA CYS 14 -16.523 0.230 2.681 99 1HB CYS 14 HB2 CYS 14 -16.507 -2.607 1.882 100 2HB CYS 14 HB1 CYS 14 -17.812 -1.434 1.787 101 H ALA 15 HN ALA 15 -16.593 -2.691 3.649 102 HA ALA 15 HA ALA 15 -14.333 -2.419 5.595 103 1HB ALA 15 HB3 ALA 15 -17.140 -3.517 5.681 104 2HB ALA 15 HB2 ALA 15 -15.948 -4.053 6.864 105 3HB ALA 15 HB1 ALA 15 -16.382 -2.347 6.761 106 H ALA 16 HN ALA 16 -13.230 -3.492 3.482 107 HA ALA 16 HA ALA 16 -12.656 -6.230 4.142 108 1HB ALA 16 HB3 ALA 16 -14.901 -5.601 2.314 109 2HB ALA 16 HB2 ALA 16 -13.816 -6.880 1.770 110 3HB ALA 16 HB1 ALA 16 -14.639 -7.023 3.323 111 H CYS 17 HN CYS 17 -12.984 -4.229 1.150 112 HA CYS 17 HA CYS 17 -10.525 -5.348 0.051 113 1HB CYS 17 HB2 CYS 17 -11.828 -2.829 -0.945 114 2HB CYS 17 HB1 CYS 17 -11.053 -4.105 -1.855 115 HA PRO 18 HA PRO 18 -8.991 -0.733 0.969 116 1HB PRO 18 HB2 PRO 18 -10.400 -0.485 3.557 117 2HB PRO 18 HB1 PRO 18 -10.168 0.735 2.295 118 1HG PRO 18 HG2 PRO 18 -12.550 -0.502 2.811 119 2HG PRO 18 HG1 PRO 18 -12.117 0.166 1.238 120 1HD PRO 18 HD2 PRO 18 -12.382 -2.653 2.044 121 2HD PRO 18 HD1 PRO 18 -12.344 -1.947 0.412 122 H ILE 19 HN ILE 19 -9.976 -2.535 3.874 123 HA ILE 19 HA ILE 19 -7.516 -2.446 5.278 124 HB ILE 19 HB ILE 19 -10.008 -4.082 5.223 125 1HG1 ILE 19 HG12 ILE 19 -8.881 -3.259 7.788 126 2HG1 ILE 19 HG11 ILE 19 -9.003 -1.919 6.649 127 1HG2 ILE 19 HG23 ILE 19 -7.405 -5.078 6.272 128 2HG2 ILE 19 HG22 ILE 19 -8.815 -5.290 7.310 129 3HG2 ILE 19 HG21 ILE 19 -8.801 -5.982 5.688 130 1HD1 ILE 19 HD12 ILE 19 -11.393 -3.442 6.412 131 2HD1 ILE 19 HD11 ILE 19 -11.104 -3.186 8.133 132 3HD1 ILE 19 HD13 ILE 19 -11.214 -1.805 7.042 133 H THR 20 HN THR 20 -8.519 -4.535 2.589 134 HA THR 20 HA THR 20 -6.521 -6.584 2.912 135 HB THR 20 HB THR 20 -7.861 -5.502 0.403 136 HG1 THR 20 HG1 THR 20 -8.652 -7.608 2.132 137 1HG2 THR 20 HG21 THR 20 -6.439 -8.075 1.086 138 2HG2 THR 20 HG23 THR 20 -7.566 -7.961 -0.265 139 3HG2 THR 20 HG22 THR 20 -6.111 -6.965 -0.245 140 H VAL 21 HN VAL 21 -6.523 -3.360 1.684 141 HA VAL 21 HA VAL 21 -4.148 -3.482 0.093 142 HB VAL 21 HB VAL 21 -5.493 -1.206 1.587 143 1HG1 VAL 21 HG12 VAL 21 -3.070 -0.948 0.652 144 2HG1 VAL 21 HG11 VAL 21 -3.855 -0.951 -0.927 145 3HG1 VAL 21 HG13 VAL 21 -4.263 0.290 0.258 146 1HG2 VAL 21 HG23 VAL 21 -5.975 -2.533 -1.068 147 2HG2 VAL 21 HG22 VAL 21 -7.146 -2.016 0.145 148 3HG2 VAL 21 HG21 VAL 21 -6.339 -0.820 -0.867 149 H LYS 22 HN LYS 22 -4.870 -2.989 3.503 150 HA LYS 22 HA LYS 22 -2.236 -2.076 4.252 151 1HB LYS 22 HB2 LYS 22 -4.051 -1.605 5.720 152 2HB LYS 22 HB1 LYS 22 -4.630 -3.270 5.659 153 1HG LYS 22 HG2 LYS 22 -3.097 -4.007 7.198 154 2HG LYS 22 HG1 LYS 22 -1.863 -2.863 6.669 155 1HD LYS 22 HD2 LYS 22 -2.887 -1.059 7.859 156 2HD LYS 22 HD1 LYS 22 -4.353 -1.996 8.151 157 1HE LYS 22 HE2 LYS 22 -1.625 -2.783 9.233 158 2HE LYS 22 HE1 LYS 22 -2.837 -1.879 10.164 159 1HZ LYS 22 HZ2 LYS 22 -4.349 -3.810 9.160 160 2HZ LYS 22 HZ1 LYS 22 -2.878 -4.652 9.274 161 3HZ LYS 22 HZ3 LYS 22 -3.561 -3.950 10.658 162 H LYS 23 HN LYS 23 -3.892 -5.203 4.120 163 HA LYS 23 HA LYS 23 -1.732 -6.724 5.238 164 1HB LYS 23 HB2 LYS 23 -3.908 -7.674 5.252 165 2HB LYS 23 HB1 LYS 23 -4.153 -7.315 3.542 166 1HG LYS 23 HG2 LYS 23 -1.819 -9.030 4.094 167 2HG LYS 23 HG1 LYS 23 -3.370 -9.759 4.514 168 1HD LYS 23 HD2 LYS 23 -4.102 -8.839 2.152 169 2HD LYS 23 HD1 LYS 23 -2.367 -8.855 1.834 170 1HE LYS 23 HE2 LYS 23 -4.012 -11.234 2.773 171 2HE LYS 23 HE1 LYS 23 -3.342 -11.005 1.146 172 1HZ LYS 23 HZ2 LYS 23 -1.158 -10.589 2.470 173 2HZ LYS 23 HZ1 LYS 23 -1.933 -11.495 3.680 174 3HZ LYS 23 HZ3 LYS 23 -1.661 -12.181 2.153 175 H ALA 24 HN ALA 24 -2.336 -5.359 2.151 176 HA ALA 24 HA ALA 24 -0.679 -7.087 0.563 177 1HB ALA 24 HB1 ALA 24 -2.579 -5.310 0.029 178 2HB ALA 24 HB3 ALA 24 -1.200 -4.219 -0.109 179 3HB ALA 24 HB2 ALA 24 -1.306 -5.642 -1.145 180 H LEU 25 HN LEU 25 -0.158 -3.767 1.830 181 HA LEU 25 HA LEU 25 2.581 -3.554 1.024 182 1HB LEU 25 HB2 LEU 25 1.344 -2.332 3.501 183 2HB LEU 25 HB1 LEU 25 2.584 -1.640 2.459 184 HG LEU 25 HG LEU 25 0.290 -2.239 0.856 185 1HD1 LEU 25 HD13 LEU 25 -0.793 -2.116 3.156 186 2HD1 LEU 25 HD12 LEU 25 -0.311 -0.421 3.197 187 3HD1 LEU 25 HD11 LEU 25 -1.429 -0.991 1.957 188 1HD2 LEU 25 HD21 LEU 25 2.005 0.059 1.606 189 2HD2 LEU 25 HD23 LEU 25 1.465 -0.465 0.013 190 3HD2 LEU 25 HD22 LEU 25 0.388 0.479 1.042 191 H SER 26 HN SER 26 1.023 -5.038 3.804 192 HA SER 26 HA SER 26 3.442 -5.395 5.375 193 1HB SER 26 HB2 SER 26 0.582 -6.219 5.399 194 2HB SER 26 HB1 SER 26 1.694 -7.250 6.295 195 HG SER 26 HG SER 26 0.788 -5.440 7.490 196 H LYS 27 HN LYS 27 1.802 -7.150 2.820 197 HA LYS 27 HA LYS 27 3.664 -9.435 3.191 198 1HB LYS 27 HB2 LYS 27 2.086 -10.637 1.730 199 2HB LYS 27 HB1 LYS 27 1.232 -9.886 3.075 200 1HG LYS 27 HG2 LYS 27 -0.080 -9.382 1.162 201 2HG LYS 27 HG1 LYS 27 0.817 -7.905 1.489 202 1HD LYS 27 HD2 LYS 27 2.179 -8.153 -0.361 203 2HD LYS 27 HD1 LYS 27 2.060 -9.913 -0.338 204 1HE LYS 27 HE2 LYS 27 -0.359 -8.214 -0.969 205 2HE LYS 27 HE1 LYS 27 0.797 -8.676 -2.236 206 1HZ LYS 27 HZ1 LYS 27 -0.224 -10.685 -0.332 207 2HZ LYS 27 HZ3 LYS 27 -1.135 -10.276 -1.702 208 3HZ LYS 27 HZ2 LYS 27 0.427 -10.920 -1.883 209 H VAL 28 HN VAL 28 3.776 -6.581 1.652 210 HA VAL 28 HA VAL 28 4.301 -7.096 -1.082 211 HB VAL 28 HB VAL 28 5.149 -5.082 0.978 212 1HG1 VAL 28 HG12 VAL 28 6.430 -5.498 -1.713 213 2HG1 VAL 28 HG11 VAL 28 6.250 -3.867 -1.067 214 3HG1 VAL 28 HG13 VAL 28 7.188 -5.067 -0.180 215 1HG2 VAL 28 HG23 VAL 28 2.946 -5.110 -0.349 216 2HG2 VAL 28 HG22 VAL 28 3.851 -3.599 -0.352 217 3HG2 VAL 28 HG21 VAL 28 3.918 -4.670 -1.751 218 H GLU 29 HN GLU 29 6.983 -6.365 1.144 219 HA GLU 29 HA GLU 29 8.392 -8.839 0.895 220 1HB GLU 29 HB2 GLU 29 8.415 -6.995 -1.382 221 2HB GLU 29 HB1 GLU 29 10.039 -7.405 -0.826 222 1HG GLU 29 HG2 GLU 29 8.784 -9.842 -0.734 223 2HG GLU 29 HG1 GLU 29 8.023 -9.096 -2.139 224 H GLY 30 HN GLY 30 9.869 -5.712 0.170 225 1HA GLY 30 HA2 GLY 30 11.576 -5.934 2.533 226 2HA GLY 30 HA1 GLY 30 11.631 -4.643 1.334 227 H VAL 31 HN VAL 31 8.455 -4.885 2.163 228 HA VAL 31 HA VAL 31 8.094 -2.416 3.371 229 HB VAL 31 HB VAL 31 6.420 -4.237 2.661 230 1HG1 VAL 31 HG13 VAL 31 6.920 -5.075 5.535 231 2HG1 VAL 31 HG12 VAL 31 5.614 -5.676 4.514 232 3HG1 VAL 31 HG11 VAL 31 7.292 -6.030 4.100 233 1HG2 VAL 31 HG22 VAL 31 6.168 -2.466 5.080 234 2HG2 VAL 31 HG21 VAL 31 5.445 -2.271 3.484 235 3HG2 VAL 31 HG23 VAL 31 4.815 -3.487 4.595 236 H SER 32 HN SER 32 8.544 -1.511 5.279 237 HA SER 32 HA SER 32 9.713 -3.231 7.428 238 1HB SER 32 HB2 SER 32 10.206 -0.492 6.348 239 2HB SER 32 HB1 SER 32 10.472 -0.734 8.073 240 HG SER 32 HG SER 32 11.666 -2.714 7.236 241 H LYS 33 HN LYS 33 7.142 -1.164 6.515 242 HA LYS 33 HA LYS 33 5.727 -1.641 9.028 243 1HB LYS 33 HB2 LYS 33 7.021 0.058 9.975 244 2HB LYS 33 HB1 LYS 33 7.185 0.919 8.448 245 1HG LYS 33 HG2 LYS 33 5.191 2.023 8.696 246 2HG LYS 33 HG1 LYS 33 4.435 0.678 9.551 247 1HD LYS 33 HD2 LYS 33 5.715 1.201 11.573 248 2HD LYS 33 HD1 LYS 33 6.551 2.505 10.728 249 1HE LYS 33 HE2 LYS 33 3.834 3.048 10.302 250 2HE LYS 33 HE1 LYS 33 3.933 2.545 12.002 251 1HZ LYS 33 HZ2 LYS 33 5.874 4.019 12.242 252 2HZ LYS 33 HZ1 LYS 33 5.626 4.583 10.657 253 3HZ LYS 33 HZ3 LYS 33 4.458 4.873 11.852 254 H VAL 34 HN VAL 34 3.481 -0.766 8.867 255 HA VAL 34 HA VAL 34 2.745 0.473 6.283 256 HB VAL 34 HB VAL 34 2.114 -2.353 7.133 257 1HG1 VAL 34 HG12 VAL 34 0.652 -0.674 5.069 258 2HG1 VAL 34 HG11 VAL 34 0.448 -2.411 5.291 259 3HG1 VAL 34 HG13 VAL 34 -0.031 -1.297 6.571 260 1HG2 VAL 34 HG22 VAL 34 3.187 -1.036 4.621 261 2HG2 VAL 34 HG21 VAL 34 4.062 -2.101 5.722 262 3HG2 VAL 34 HG23 VAL 34 2.760 -2.744 4.720 263 H ASP 35 HN ASP 35 0.769 1.509 6.364 264 HA ASP 35 HA ASP 35 -0.985 1.155 8.745 265 1HB ASP 35 HB2 ASP 35 0.911 3.181 8.499 266 2HB ASP 35 HB1 ASP 35 -0.561 3.944 7.896 267 H VAL 36 HN VAL 36 -3.224 1.893 8.186 268 HA VAL 36 HA VAL 36 -3.602 2.783 5.392 269 HB VAL 36 HB VAL 36 -4.375 0.076 6.482 270 1HG1 VAL 36 HG11 VAL 36 -5.479 1.634 4.147 271 2HG1 VAL 36 HG13 VAL 36 -5.457 -0.130 4.129 272 3HG1 VAL 36 HG12 VAL 36 -6.357 0.729 5.379 273 1HG2 VAL 36 HG22 VAL 36 -2.654 1.133 4.244 274 2HG2 VAL 36 HG21 VAL 36 -2.235 -0.031 5.501 275 3HG2 VAL 36 HG23 VAL 36 -3.303 -0.506 4.180 276 H GLY 37 HN GLY 37 -5.763 3.339 4.894 277 1HA GLY 37 HA2 GLY 37 -7.573 3.694 7.237 278 2HA GLY 37 HA1 GLY 37 -7.356 4.966 6.023 279 H PHE 38 HN PHE 38 -8.456 1.658 6.492 280 HA PHE 38 HA PHE 38 -9.232 0.753 4.105 281 1HB PHE 38 HB2 PHE 38 -11.512 0.182 5.529 282 2HB PHE 38 HB1 PHE 38 -9.997 -0.683 5.687 283 HD1 PHE 38 HD1 PHE 38 -12.143 1.947 7.228 284 HD2 PHE 38 HD2 PHE 38 -8.591 -0.441 7.635 285 HE1 PHE 38 HE1 PHE 38 -11.969 2.605 9.604 286 HE2 PHE 38 HE2 PHE 38 -8.425 0.220 10.015 287 HZ PHE 38 HZ PHE 38 -10.113 1.744 11.000 288 H GLU 39 HN GLU 39 -12.214 1.790 5.495 289 HA GLU 39 HA GLU 39 -13.683 2.589 3.416 290 1HB GLU 39 HB2 GLU 39 -13.432 3.352 6.187 291 2HB GLU 39 HB1 GLU 39 -13.956 4.743 5.238 292 1HG GLU 39 HG2 GLU 39 -15.969 3.634 5.831 293 2HG GLU 39 HG1 GLU 39 -15.666 3.146 4.164 294 H LYS 40 HN LYS 40 -11.165 4.708 4.813 295 HA LYS 40 HA LYS 40 -11.512 6.666 2.616 296 1HB LYS 40 HB2 LYS 40 -9.820 6.450 5.120 297 2HB LYS 40 HB1 LYS 40 -9.623 7.772 3.969 298 1HG LYS 40 HG2 LYS 40 -11.330 8.839 4.971 299 2HG LYS 40 HG1 LYS 40 -12.401 7.545 4.435 300 1HD LYS 40 HD2 LYS 40 -12.717 7.046 6.611 301 2HD LYS 40 HD1 LYS 40 -11.052 6.463 6.634 302 1HE LYS 40 HE2 LYS 40 -10.930 9.303 6.824 303 2HE LYS 40 HE1 LYS 40 -12.141 8.747 7.996 304 1HZ LYS 40 HZ1 LYS 40 -10.581 7.072 8.769 305 2HZ LYS 40 HZ3 LYS 40 -9.417 7.601 7.655 306 3HZ LYS 40 HZ2 LYS 40 -9.901 8.621 8.925 307 H ARG 41 HN ARG 41 -10.808 4.259 1.571 308 HA ARG 41 HA ARG 41 -8.655 2.970 1.078 309 1HB ARG 41 HB2 ARG 41 -8.779 3.415 -1.322 310 2HB ARG 41 HB1 ARG 41 -10.394 3.396 -0.618 311 1HG ARG 41 HG2 ARG 41 -10.739 5.464 -1.431 312 2HG ARG 41 HG1 ARG 41 -9.436 6.061 -0.403 313 1HD ARG 41 HD2 ARG 41 -8.070 4.843 -2.490 314 2HD ARG 41 HD1 ARG 41 -9.445 5.605 -3.304 315 HE ARG 41 HE ARG 41 -7.199 6.985 -2.194 316 1HH1 ARG 41 HH21 ARG 41 -10.660 7.137 -2.218 317 2HH1 ARG 41 HH22 ARG 41 -10.708 8.773 -1.661 318 1HH2 ARG 41 HH11 ARG 41 -7.266 9.112 -1.494 319 2HH2 ARG 41 HH12 ARG 41 -8.795 9.892 -1.264 320 H GLU 42 HN GLU 42 -7.020 4.101 2.517 321 HA GLU 42 HA GLU 42 -5.079 5.547 0.776 322 1HB GLU 42 HB2 GLU 42 -6.618 7.193 1.932 323 2HB GLU 42 HB1 GLU 42 -5.991 6.604 3.472 324 1HG GLU 42 HG2 GLU 42 -4.088 7.529 1.335 325 2HG GLU 42 HG1 GLU 42 -4.886 8.708 2.375 326 H ALA 43 HN ALA 43 -3.327 4.118 1.027 327 HA ALA 43 HA ALA 43 -2.768 3.113 3.792 328 1HB ALA 43 HB2 ALA 43 -2.098 2.126 1.010 329 2HB ALA 43 HB1 ALA 43 -1.469 1.377 2.478 330 3HB ALA 43 HB3 ALA 43 -3.205 1.389 2.168 331 H VAL 44 HN VAL 44 -0.985 3.916 4.809 332 HA VAL 44 HA VAL 44 1.087 5.314 3.159 333 HB VAL 44 HB VAL 44 -0.353 5.822 5.646 334 1HG1 VAL 44 HG13 VAL 44 2.665 5.775 5.728 335 2HG1 VAL 44 HG12 VAL 44 1.748 6.907 6.722 336 3HG1 VAL 44 HG11 VAL 44 1.523 5.170 6.929 337 1HG2 VAL 44 HG23 VAL 44 -0.042 7.283 3.590 338 2HG2 VAL 44 HG22 VAL 44 0.214 8.084 5.140 339 3HG2 VAL 44 HG21 VAL 44 1.597 7.588 4.165 340 H VAL 45 HN VAL 45 2.921 4.105 2.907 341 HA VAL 45 HA VAL 45 3.520 2.053 5.026 342 HB VAL 45 HB VAL 45 2.607 1.178 2.933 343 1HG1 VAL 45 HG13 VAL 45 5.007 2.522 1.663 344 2HG1 VAL 45 HG12 VAL 45 3.874 1.458 0.830 345 3HG1 VAL 45 HG11 VAL 45 3.326 3.011 1.459 346 1HG2 VAL 45 HG22 VAL 45 4.804 0.251 4.242 347 2HG2 VAL 45 HG21 VAL 45 4.057 -0.592 2.888 348 3HG2 VAL 45 HG23 VAL 45 5.459 0.441 2.618 349 H THR 46 HN THR 46 5.653 1.477 5.356 350 HA THR 46 HA THR 46 7.773 3.364 4.404 351 HB THR 46 HB THR 46 7.108 2.138 7.079 352 HG1 THR 46 HG1 THR 46 7.623 4.268 7.730 353 1HG2 THR 46 HG21 THR 46 9.786 2.459 5.893 354 2HG2 THR 46 HG23 THR 46 9.605 3.206 7.480 355 3HG2 THR 46 HG22 THR 46 9.276 1.485 7.272 356 H PHE 47 HN PHE 47 9.844 2.180 3.955 357 HA PHE 47 HA PHE 47 9.947 -0.680 4.358 358 1HB PHE 47 HB2 PHE 47 9.549 -1.340 2.044 359 2HB PHE 47 HB1 PHE 47 8.161 -0.425 2.634 360 HD1 PHE 47 HD2 PHE 47 11.221 -0.263 0.539 361 HD2 PHE 47 HD1 PHE 47 7.621 1.756 1.757 362 HE1 PHE 47 HE2 PHE 47 11.530 1.391 -1.276 363 HE2 PHE 47 HE1 PHE 47 7.934 3.403 -0.067 364 HZ PHE 47 HZ PHE 47 9.889 3.224 -1.574 365 H ASP 48 HN ASP 48 11.638 -1.625 2.778 366 HA ASP 48 HA ASP 48 13.972 0.242 2.679 367 1HB ASP 48 HB2 ASP 48 13.889 -2.788 2.551 368 2HB ASP 48 HB1 ASP 48 15.286 -1.772 2.908 369 H ASP 49 HN ASP 49 14.127 1.054 0.606 370 HA ASP 49 HA ASP 49 12.873 -0.090 -1.673 371 1HB ASP 49 HB2 ASP 49 13.337 2.161 -1.868 372 2HB ASP 49 HB1 ASP 49 14.905 2.014 -1.079 373 H THR 50 HN THR 50 15.639 -1.196 -0.039 374 HA THR 50 HA THR 50 17.202 -2.138 -2.291 375 HB THR 50 HB THR 50 17.832 -1.742 0.193 376 HG1 THR 50 HG1 THR 50 19.026 -2.931 -1.543 377 1HG2 THR 50 HG23 THR 50 15.866 -3.364 0.841 378 2HG2 THR 50 HG22 THR 50 17.065 -4.623 0.545 379 3HG2 THR 50 HG21 THR 50 17.364 -3.393 1.773 380 H LYS 51 HN LYS 51 14.216 -3.132 -0.987 381 HA LYS 51 HA LYS 51 14.443 -5.767 -2.382 382 1HB LYS 51 HB2 LYS 51 13.908 -5.087 0.403 383 2HB LYS 51 HB1 LYS 51 12.633 -6.091 -0.289 384 1HG LYS 51 HG2 LYS 51 14.349 -7.704 -1.070 385 2HG LYS 51 HG1 LYS 51 15.601 -6.716 -0.318 386 1HD LYS 51 HD2 LYS 51 15.103 -7.460 1.769 387 2HD LYS 51 HD1 LYS 51 13.365 -7.384 1.479 388 1HE LYS 51 HE2 LYS 51 13.392 -9.649 1.332 389 2HE LYS 51 HE1 LYS 51 14.308 -9.468 -0.178 390 1HZ LYS 51 HZ1 LYS 51 16.245 -9.004 1.516 391 2HZ LYS 51 HZ3 LYS 51 15.289 -9.960 2.540 392 3HZ LYS 51 HZ2 LYS 51 15.840 -10.590 1.061 393 H ALA 52 HN ALA 52 12.330 -3.243 -1.165 394 HA ALA 52 HA ALA 52 10.321 -3.940 -3.287 395 1HB ALA 52 HB3 ALA 52 10.093 -3.969 -0.489 396 2HB ALA 52 HB2 ALA 52 9.292 -2.478 -0.988 397 3HB ALA 52 HB1 ALA 52 8.763 -4.027 -1.646 398 H SER 53 HN SER 53 8.735 -1.729 -3.198 399 HA SER 53 HA SER 53 10.229 0.764 -3.024 400 1HB SER 53 HB2 SER 53 9.477 0.226 -5.833 401 2HB SER 53 HB1 SER 53 10.924 0.996 -5.191 402 HG SER 53 HG SER 53 10.809 -1.357 -6.183 403 H VAL 54 HN VAL 54 8.856 2.586 -3.486 404 HA VAL 54 HA VAL 54 6.202 2.550 -2.774 405 HB VAL 54 HB VAL 54 7.706 4.511 -3.301 406 1HG1 VAL 54 HG11 VAL 54 6.920 3.729 -6.120 407 2HG1 VAL 54 HG13 VAL 54 7.568 5.315 -5.702 408 3HG1 VAL 54 HG12 VAL 54 8.550 3.870 -5.461 409 1HG2 VAL 54 HG23 VAL 54 5.116 4.555 -3.058 410 2HG2 VAL 54 HG22 VAL 54 5.912 5.965 -3.755 411 3HG2 VAL 54 HG21 VAL 54 5.110 4.795 -4.804 412 H GLN 55 HN GLN 55 7.541 1.617 -5.892 413 HA GLN 55 HA GLN 55 5.020 1.502 -7.309 414 1HB GLN 55 HB2 GLN 55 7.134 1.633 -8.487 415 2HB GLN 55 HB1 GLN 55 7.733 0.190 -7.668 416 1HG GLN 55 HG2 GLN 55 6.343 -1.243 -8.887 417 2HG GLN 55 HG1 GLN 55 5.210 0.046 -9.296 418 1HE2 GLN 55 HE22 GLN 55 8.293 -0.736 -11.774 419 2HE2 GLN 55 HE21 GLN 55 7.943 -1.708 -10.427 420 H LYS 56 HN LYS 56 7.079 -0.988 -5.757 421 HA LYS 56 HA LYS 56 5.320 -3.191 -6.166 422 1HB LYS 56 HB2 LYS 56 7.296 -2.650 -3.930 423 2HB LYS 56 HB1 LYS 56 6.729 -4.236 -4.454 424 1HG LYS 56 HG2 LYS 56 7.590 -3.225 -6.825 425 2HG LYS 56 HG1 LYS 56 8.707 -2.427 -5.718 426 1HD LYS 56 HD2 LYS 56 9.903 -4.344 -5.779 427 2HD LYS 56 HD1 LYS 56 8.634 -5.027 -4.762 428 1HE LYS 56 HE2 LYS 56 8.107 -6.464 -6.431 429 2HE LYS 56 HE1 LYS 56 7.702 -5.084 -7.471 430 1HZ LYS 56 HZ3 LYS 56 10.069 -4.820 -7.955 431 2HZ LYS 56 HZ2 LYS 56 10.425 -6.187 -7.011 432 3HZ LYS 56 HZ1 LYS 56 9.514 -6.348 -8.437 433 H LEU 57 HN LEU 57 5.171 -0.540 -3.834 434 HA LEU 57 HA LEU 57 3.486 -1.941 -1.912 435 1HB LEU 57 HB2 LEU 57 3.733 1.029 -2.507 436 2HB LEU 57 HB1 LEU 57 3.214 0.298 -0.989 437 HG LEU 57 HG LEU 57 5.969 -0.103 -2.209 438 1HD1 LEU 57 HD12 LEU 57 4.968 2.214 -1.072 439 2HD1 LEU 57 HD11 LEU 57 5.748 1.412 0.289 440 3HD1 LEU 57 HD13 LEU 57 6.675 1.777 -1.167 441 1HD2 LEU 57 HD22 LEU 57 4.751 -0.784 0.486 442 2HD2 LEU 57 HD21 LEU 57 5.338 -1.922 -0.728 443 3HD2 LEU 57 HD23 LEU 57 6.476 -0.882 0.129 444 H THR 58 HN THR 58 2.869 0.456 -4.470 445 HA THR 58 HA THR 58 -0.006 0.315 -4.379 446 HB THR 58 HB THR 58 1.483 0.909 -6.900 447 HG1 THR 58 HG1 THR 58 1.900 2.141 -4.418 448 1HG2 THR 58 HG23 THR 58 -0.946 1.365 -6.615 449 2HG2 THR 58 HG22 THR 58 -0.560 2.465 -5.291 450 3HG2 THR 58 HG21 THR 58 -0.021 2.834 -6.929 451 H LYS 59 HN LYS 59 2.490 -1.702 -5.649 452 HA LYS 59 HA LYS 59 0.803 -3.083 -7.612 453 1HB LYS 59 HB2 LYS 59 3.520 -2.715 -7.138 454 2HB LYS 59 HB1 LYS 59 3.255 -4.396 -6.675 455 1HG LYS 59 HG2 LYS 59 3.232 -4.961 -8.850 456 2HG LYS 59 HG1 LYS 59 1.789 -3.969 -9.066 457 1HD LYS 59 HD2 LYS 59 4.010 -2.197 -8.916 458 2HD LYS 59 HD1 LYS 59 4.444 -3.484 -10.042 459 1HE LYS 59 HE2 LYS 59 3.236 -2.309 -11.580 460 2HE LYS 59 HE1 LYS 59 1.802 -2.906 -10.720 461 1HZ LYS 59 HZ2 LYS 59 2.561 -0.941 -9.101 462 2HZ LYS 59 HZ1 LYS 59 3.084 -0.297 -10.584 463 3HZ LYS 59 HZ3 LYS 59 1.455 -0.715 -10.370 464 H ALA 60 HN ALA 60 1.651 -3.338 -4.226 465 HA ALA 60 HA ALA 60 0.893 -6.126 -3.905 466 1HB ALA 60 HB3 ALA 60 1.584 -3.761 -2.225 467 2HB ALA 60 HB2 ALA 60 0.654 -5.036 -1.438 468 3HB ALA 60 HB1 ALA 60 2.221 -5.404 -2.157 469 H THR 61 HN THR 61 -0.743 -2.991 -3.418 470 HA THR 61 HA THR 61 -3.276 -4.269 -2.640 471 HB THR 61 HB THR 61 -2.590 -2.023 -1.892 472 HG1 THR 61 HG1 THR 61 -4.689 -1.436 -3.602 473 1HG2 THR 61 HG22 THR 61 -2.753 -1.335 -4.836 474 2HG2 THR 61 HG21 THR 61 -2.609 -0.148 -3.542 475 3HG2 THR 61 HG23 THR 61 -1.306 -1.298 -3.828 476 H ALA 62 HN ALA 62 -1.795 -2.876 -5.530 477 HA ALA 62 HA ALA 62 -4.051 -3.096 -7.276 478 1HB ALA 62 HB1 ALA 62 -1.048 -3.045 -7.557 479 2HB ALA 62 HB3 ALA 62 -2.059 -3.300 -8.978 480 3HB ALA 62 HB2 ALA 62 -2.215 -1.815 -8.039 481 H ASP 63 HN ASP 63 -1.747 -5.356 -5.942 482 HA ASP 63 HA ASP 63 -2.468 -7.525 -7.796 483 1HB ASP 63 HB2 ASP 63 -0.226 -7.563 -7.035 484 2HB ASP 63 HB1 ASP 63 -0.690 -7.149 -5.385 485 H ALA 64 HN ALA 64 -3.453 -6.251 -4.694 486 HA ALA 64 HA ALA 64 -4.788 -8.642 -3.736 487 1HB ALA 64 HB1 ALA 64 -4.535 -5.760 -3.085 488 2HB ALA 64 HB3 ALA 64 -6.042 -6.511 -2.561 489 3HB ALA 64 HB2 ALA 64 -4.496 -7.155 -2.008 490 H GLY 65 HN GLY 65 -5.417 -6.211 -6.088 491 1HA GLY 65 HA2 GLY 65 -7.180 -6.729 -7.763 492 2HA GLY 65 HA1 GLY 65 -8.185 -7.261 -6.416 493 H TYR 66 HN TYR 66 -6.150 -4.435 -6.151 494 HA TYR 66 HA TYR 66 -8.577 -2.696 -6.413 495 1HB TYR 66 HB2 TYR 66 -6.475 -2.584 -4.224 496 2HB TYR 66 HB1 TYR 66 -7.976 -1.658 -4.300 497 HD1 TYR 66 HD1 TYR 66 -9.992 -3.514 -5.106 498 HD2 TYR 66 HD2 TYR 66 -6.641 -4.178 -2.485 499 HE1 TYR 66 HE1 TYR 66 -11.197 -5.399 -4.035 500 HE2 TYR 66 HE2 TYR 66 -7.854 -6.051 -1.414 501 HH TYR 66 HH TYR 66 -11.165 -6.922 -2.422 502 HA PRO 67 HA PRO 67 -5.136 -1.135 -9.081 503 1HB PRO 67 HB2 PRO 67 -7.302 0.485 -10.183 504 2HB PRO 67 HB1 PRO 67 -6.313 -0.736 -10.991 505 1HG PRO 67 HG2 PRO 67 -9.034 -0.985 -10.194 506 2HG PRO 67 HG1 PRO 67 -7.999 -2.246 -10.870 507 1HD PRO 67 HD2 PRO 67 -8.999 -2.049 -8.175 508 2HD PRO 67 HD1 PRO 67 -7.920 -3.298 -8.847 509 H SER 68 HN SER 68 -4.127 0.109 -7.457 510 HA SER 68 HA SER 68 -5.564 2.561 -6.533 511 1HB SER 68 HB2 SER 68 -3.689 2.441 -4.782 512 2HB SER 68 HB1 SER 68 -4.878 1.142 -4.752 513 HG SER 68 HG SER 68 -2.250 0.975 -5.087 514 H SER 69 HN SER 69 -3.516 4.114 -5.727 515 HA SER 69 HA SER 69 -1.592 4.520 -7.939 516 1HB SER 69 HB2 SER 69 -3.997 6.186 -7.268 517 2HB SER 69 HB1 SER 69 -2.534 7.018 -7.789 518 HG SER 69 HG SER 69 -4.250 5.337 -9.182 519 H VAL 70 HN VAL 70 0.312 5.170 -6.957 520 HA VAL 70 HA VAL 70 0.171 5.912 -4.095 521 HB VAL 70 HB VAL 70 1.529 4.038 -4.787 522 1HG1 VAL 70 HG13 VAL 70 2.108 5.780 -7.006 523 2HG1 VAL 70 HG12 VAL 70 3.621 5.263 -6.261 524 3HG1 VAL 70 HG11 VAL 70 2.466 4.061 -6.836 525 1HG2 VAL 70 HG21 VAL 70 2.402 6.068 -3.198 526 2HG2 VAL 70 HG23 VAL 70 3.312 4.581 -3.461 527 3HG2 VAL 70 HG22 VAL 70 3.694 6.026 -4.397 528 H LYS 71 HN LYS 71 1.489 7.696 -3.297 529 HA LYS 71 HA LYS 71 2.185 9.682 -5.431 530 1HB LYS 71 HB2 LYS 71 1.097 11.368 -3.744 531 2HB LYS 71 HB1 LYS 71 0.045 10.401 -4.777 532 1HG LYS 71 HG2 LYS 71 -0.598 8.992 -3.041 533 2HG LYS 71 HG1 LYS 71 0.863 9.311 -2.108 534 1HD LYS 71 HD2 LYS 71 -0.510 10.663 -0.893 535 2HD LYS 71 HD1 LYS 71 -0.221 11.805 -2.205 536 1HE LYS 71 HE2 LYS 71 -2.555 11.790 -2.184 537 2HE LYS 71 HE1 LYS 71 -2.254 10.463 -3.324 538 1HZ LYS 71 HZ2 LYS 71 -2.255 9.927 -0.430 539 2HZ LYS 71 HZ1 LYS 71 -3.739 10.044 -1.249 540 3HZ LYS 71 HZ3 LYS 71 -2.605 8.873 -1.717 541 H GLN 72 HN GLN 72 4.054 8.134 -4.076 542 HA GLN 72 HA GLN 72 6.031 8.324 -2.789 543 1HB GLN 72 HB2 GLN 72 5.543 10.615 -4.316 544 2HB GLN 72 HB1 GLN 72 5.970 11.240 -2.723 545 1HG GLN 72 HG2 GLN 72 8.130 10.599 -2.932 546 2HG GLN 72 HG1 GLN 72 7.682 9.019 -3.575 547 1HE2 GLN 72 HE22 GLN 72 7.544 11.914 -6.465 548 2HE2 GLN 72 HE21 GLN 72 6.645 12.098 -5.037 No H/Q in entry = 548
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