NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22052 | 2j4n | 7285 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT2 ALA 1 4.865 5.101 -8.385 2 H2 ALA 1 HT1 ALA 1 5.712 3.869 -7.542 3 H3 ALA 1 HT3 ALA 1 4.001 3.935 -7.468 4 HA ALA 1 HA ALA 1 4.668 4.791 -5.481 5 1HB ALA 1 HB3 ALA 1 6.534 6.118 -5.105 6 2HB ALA 1 HB1 ALA 1 6.595 6.681 -6.775 7 3HB ALA 1 HB2 ALA 1 7.075 5.030 -6.384 8 H MET 2 HN MET 2 2.579 5.396 -7.207 9 HA MET 2 HA MET 2 1.753 7.911 -6.201 10 1HB MET 2 HB2 MET 2 3.367 8.316 -8.294 11 2HB MET 2 HB1 MET 2 1.864 8.052 -9.167 12 1HG MET 2 HG2 MET 2 0.998 10.018 -8.536 13 2HG MET 2 HG1 MET 2 1.658 9.904 -6.905 14 1HE MET 2 HE2 MET 2 3.937 10.158 -6.298 15 2HE MET 2 HE1 MET 2 5.131 9.907 -7.572 16 3HE MET 2 HE3 MET 2 4.916 11.510 -6.868 17 H ALA 3 HN ALA 3 -0.004 6.628 -5.562 18 HA ALA 3 HA ALA 3 -2.114 6.465 -7.516 19 1HB ALA 3 HB2 ALA 3 -2.350 4.228 -7.752 20 2HB ALA 3 HB3 ALA 3 -1.749 3.882 -6.130 21 3HB ALA 3 HB1 ALA 3 -0.616 4.244 -7.432 22 H CYS 4 HN CYS 4 -1.563 7.837 -4.993 23 HA CYS 4 HA CYS 4 -3.193 6.618 -2.971 24 1HB CYS 4 HB2 CYS 4 -2.953 8.910 -1.867 25 2HB CYS 4 HB1 CYS 4 -1.472 7.999 -2.134 26 H TRP 5 HN TRP 5 -5.246 7.176 -2.312 27 HA TRP 5 HA TRP 5 -6.974 8.196 -4.357 28 1HB TRP 5 HB2 TRP 5 -8.755 7.862 -2.587 29 2HB TRP 5 HB1 TRP 5 -7.839 6.423 -3.022 30 HD1 TRP 5 HD1 TRP 5 -6.687 5.159 -1.094 31 HE1 TRP 5 HE1 TRP 5 -6.354 5.577 1.425 32 HE3 TRP 5 HE3 TRP 5 -8.401 9.935 -0.869 33 HZ2 TRP 5 HZ2 TRP 5 -6.776 7.685 3.267 34 HZ3 TRP 5 HZ3 TRP 5 -8.414 11.100 1.300 35 HH2 TRP 5 HH2 TRP 5 -7.616 9.995 3.326 36 H ALA 6 HN ALA 6 -5.168 9.635 -1.878 37 HA ALA 6 HA ALA 6 -6.939 11.812 -1.294 38 1HB ALA 6 HB3 ALA 6 -4.016 11.368 -0.725 39 2HB ALA 6 HB2 ALA 6 -4.911 12.793 -0.197 40 3HB ALA 6 HB1 ALA 6 -5.372 11.195 0.389 41 H GLN 7 HN GLN 7 -4.477 11.158 -3.668 42 HA GLN 7 HA GLN 7 -4.015 13.866 -4.422 43 1HB GLN 7 HB2 GLN 7 -2.839 12.951 -6.339 44 2HB GLN 7 HB1 GLN 7 -2.393 12.072 -4.885 45 1HG GLN 7 HG2 GLN 7 -2.942 10.172 -5.863 46 2HG GLN 7 HG1 GLN 7 -4.603 10.739 -6.037 47 1HE2 GLN 7 1HE2 GLN 7 -1.496 10.440 -7.585 48 2HE2 GLN 7 2HE2 GLN 7 -2.051 10.709 -9.199 49 H SER 8 HN SER 8 -6.456 11.542 -5.171 50 HA SER 8 HA SER 8 -7.337 12.391 -7.661 51 1HB SER 8 HB2 SER 8 -8.171 10.484 -5.992 52 2HB SER 8 HB1 SER 8 -9.395 11.698 -5.619 53 HG SER 8 HG SER 8 -8.966 10.256 -7.955 54 H GLN 9 HN GLN 9 -7.575 13.946 -4.580 55 HA GLN 9 HA GLN 9 -9.506 15.894 -5.602 56 1HB GLN 9 HB2 GLN 9 -8.364 15.811 -2.815 57 2HB GLN 9 HB1 GLN 9 -9.846 16.585 -3.359 58 1HG GLN 9 HG2 GLN 9 -10.824 14.380 -3.796 59 2HG GLN 9 HG1 GLN 9 -9.345 13.621 -3.208 60 1HE2 GLN 9 1HE2 GLN 9 -9.769 12.737 -1.318 61 2HE2 GLN 9 2HE2 GLN 9 -10.614 13.487 -0.011 62 H GLY 10 HN GLY 10 -6.159 15.546 -4.669 63 1HA GLY 10 HA1 GLY 10 -5.710 18.430 -4.883 64 2HA GLY 10 HA2 GLY 10 -4.944 17.405 -6.085 65 H TYR 11 HN TYR 11 -5.318 16.143 -2.891 66 HA TYR 11 HA TYR 11 -2.923 17.114 -1.750 67 1HB TYR 11 HB2 TYR 11 -4.810 14.876 -1.144 68 2HB TYR 11 HB1 TYR 11 -3.247 14.901 -0.337 69 HD1 TYR 11 HD1 TYR 11 -2.618 17.176 0.824 70 HD2 TYR 11 HD2 TYR 11 -6.583 16.017 -0.198 71 HE1 TYR 11 HE1 TYR 11 -3.503 18.759 2.482 72 HE2 TYR 11 HE2 TYR 11 -7.478 17.599 1.457 73 HH TYR 11 HH TYR 11 -6.333 18.681 3.776 74 H ASN 12 HN ASN 12 -1.453 15.028 -0.860 75 HA ASN 12 HA ASN 12 -0.513 13.660 -3.290 76 1HB ASN 12 HB2 ASN 12 1.219 14.929 -1.156 77 2HB ASN 12 HB1 ASN 12 1.809 13.989 -2.524 78 1HD2 ASN 12 1HD2 ASN 12 2.444 16.703 -1.848 79 2HD2 ASN 12 2HD2 ASN 12 1.938 17.685 -3.177 80 H CYS 13 HN CYS 13 0.929 11.769 -2.764 81 HA CYS 13 HA CYS 13 -0.392 10.120 -0.825 82 1HB CYS 13 HB2 CYS 13 2.141 9.350 -2.246 83 2HB CYS 13 HB1 CYS 13 0.800 8.327 -1.741 84 H CYS 14 HN CYS 14 0.247 9.590 1.184 85 HA CYS 14 HA CYS 14 2.542 10.988 2.279 86 1HB CYS 14 HB2 CYS 14 0.031 10.189 3.280 87 2HB CYS 14 HB1 CYS 14 1.229 9.269 4.181 88 H ASN 15 HN ASN 15 4.334 9.919 1.512 89 HA ASN 15 HA ASN 15 4.920 7.320 1.153 90 1HB ASN 15 HB2 ASN 15 6.579 8.970 0.708 91 2HB ASN 15 HB1 ASN 15 6.612 9.492 2.387 92 1HD2 ASN 15 1HD2 ASN 15 8.561 9.074 3.098 93 2HD2 ASN 15 2HD2 ASN 15 9.393 7.565 2.957 94 H ASN 16 HN ASN 16 5.700 5.573 2.391 95 HA ASN 16 HA ASN 16 5.443 4.094 4.107 96 1HB ASN 16 HB2 ASN 16 6.711 4.595 6.068 97 2HB ASN 16 HB1 ASN 16 7.535 5.343 4.706 98 1HD2 ASN 16 1HD2 ASN 16 7.407 7.609 4.468 99 2HD2 ASN 16 2HD2 ASN 16 7.076 8.627 5.820 100 HA PRO 17 HA PRO 17 1.591 6.350 5.727 101 1HB PRO 17 HB2 PRO 17 -0.215 4.736 4.458 102 2HB PRO 17 HB1 PRO 17 0.381 6.258 3.786 103 1HG PRO 17 HG2 PRO 17 1.249 3.457 3.197 104 2HG PRO 17 HG1 PRO 17 0.989 4.807 2.078 105 1HD PRO 17 HD2 PRO 17 3.451 4.064 2.886 106 2HD PRO 17 HD1 PRO 17 3.039 5.758 2.556 107 H SER 18 HN SER 18 2.916 3.191 5.582 108 HA SER 18 HA SER 18 1.038 1.840 7.228 109 1HB SER 18 HB2 SER 18 3.963 1.180 6.825 110 2HB SER 18 HB1 SER 18 2.696 0.082 7.374 111 HG SER 18 HG SER 18 2.824 1.345 4.833 112 H SER 19 HN SER 19 3.281 4.259 7.936 113 HA SER 19 HA SER 19 3.053 3.653 10.798 114 1HB SER 19 HB2 SER 19 5.336 3.010 9.835 115 2HB SER 19 HB1 SER 19 5.607 4.739 9.613 116 HG SER 19 HG SER 19 4.854 3.617 12.100 117 H THR 20 HN THR 20 2.200 5.696 8.485 118 HA THR 20 HA THR 20 2.995 8.226 9.453 119 HB THR 20 HB THR 20 0.837 7.246 7.599 120 HG1 THR 20 HG1 THR 20 2.150 8.297 6.078 121 1HG2 THR 20 1HG2 THR 20 1.433 10.107 8.264 122 2HG2 THR 20 3HG2 THR 20 0.417 9.542 6.940 123 3HG2 THR 20 2HG2 THR 20 -0.059 9.235 8.610 124 H LYS 21 HN LYS 21 1.875 9.709 10.703 125 HA LYS 21 HA LYS 21 -0.066 8.556 12.543 126 1HB LYS 21 HB2 LYS 21 1.898 9.910 13.345 127 2HB LYS 21 HB1 LYS 21 1.158 11.319 12.597 128 1HG LYS 21 HG2 LYS 21 -0.546 9.788 14.454 129 2HG LYS 21 HG1 LYS 21 0.817 10.654 15.167 130 1HD LYS 21 HD2 LYS 21 0.031 12.700 13.944 131 2HD LYS 21 HD1 LYS 21 -1.417 11.796 13.497 132 1HE LYS 21 HE2 LYS 21 -2.275 12.618 15.398 133 2HE LYS 21 HE1 LYS 21 -1.307 11.376 16.190 134 1HZ LYS 21 HZ2 LYS 21 -0.362 14.141 15.665 135 2HZ LYS 21 HZ1 LYS 21 -1.019 13.626 17.136 136 3HZ LYS 21 HZ3 LYS 21 0.428 12.953 16.573 137 H VAL 22 HN VAL 22 -2.162 8.692 12.051 138 HA VAL 22 HA VAL 22 -3.111 10.730 10.236 139 HB VAL 22 HB VAL 22 -4.469 8.328 11.470 140 1HG1 VAL 22 3HG1 VAL 22 -6.077 10.142 11.073 141 2HG1 VAL 22 2HG1 VAL 22 -5.552 10.223 9.392 142 3HG1 VAL 22 1HG1 VAL 22 -6.346 8.770 9.999 143 1HG2 VAL 22 3HG2 VAL 22 -2.642 8.216 9.576 144 2HG2 VAL 22 2HG2 VAL 22 -4.077 7.191 9.532 145 3HG2 VAL 22 1HG2 VAL 22 -4.010 8.658 8.555 146 H GLU 23 HN GLU 23 -3.159 12.596 11.387 147 HA GLU 23 HA GLU 23 -4.484 12.685 13.974 148 1HB GLU 23 HB2 GLU 23 -3.974 15.224 13.636 149 2HB GLU 23 HB1 GLU 23 -2.657 14.121 14.006 150 1HG GLU 23 HG2 GLU 23 -1.914 14.112 11.757 151 2HG GLU 23 HG1 GLU 23 -3.374 14.930 11.203 152 H TYR 24 HN TYR 24 -5.454 12.562 10.864 153 HA TYR 24 HA TYR 24 -7.935 14.014 11.496 154 1HB TYR 24 HB2 TYR 24 -6.308 15.358 10.011 155 2HB TYR 24 HB1 TYR 24 -6.743 14.213 8.747 156 HD1 TYR 24 HD1 TYR 24 -7.661 17.214 10.440 157 HD2 TYR 24 HD2 TYR 24 -9.237 13.968 8.184 158 HE1 TYR 24 HE1 TYR 24 -9.667 18.545 9.936 159 HE2 TYR 24 HE2 TYR 24 -11.248 15.290 7.673 160 HH TYR 24 HH TYR 24 -11.968 17.584 7.582 161 H THR 25 HN THR 25 -9.797 13.316 10.371 162 HA THR 25 HA THR 25 -9.669 11.128 8.528 163 HB THR 25 HB THR 25 -10.849 10.594 11.260 164 HG1 THR 25 HG1 THR 25 -8.852 10.094 11.672 165 1HG2 THR 25 3HG2 THR 25 -11.465 9.413 8.804 166 2HG2 THR 25 2HG2 THR 25 -10.405 8.276 9.641 167 3HG2 THR 25 1HG2 THR 25 -11.886 8.836 10.417 168 H ASP 26 HN ASP 26 -11.184 11.619 7.122 169 HA ASP 26 HA ASP 26 -13.735 12.714 8.109 170 1HB ASP 26 HB2 ASP 26 -11.881 13.948 6.384 171 2HB ASP 26 HB1 ASP 26 -13.216 13.433 5.359 172 H ALA 27 HN ALA 27 -15.022 12.675 5.579 173 HA ALA 27 HA ALA 27 -15.714 9.879 5.464 174 1HB ALA 27 HB1 ALA 27 -17.549 10.520 4.134 175 2HB ALA 27 HB2 ALA 27 -16.778 12.034 3.659 176 3HB ALA 27 HB3 ALA 27 -17.348 11.816 5.314 177 H SER 28 HN SER 28 -13.199 11.459 4.172 178 HA SER 28 HA SER 28 -13.320 10.153 1.555 179 1HB SER 28 HB2 SER 28 -12.616 12.387 1.294 180 2HB SER 28 HB1 SER 28 -11.571 12.315 2.713 181 HG SER 28 HG SER 28 -11.085 11.535 0.115 182 H GLY 29 HN GLY 29 -11.817 9.982 4.662 183 1HA GLY 29 HA1 GLY 29 -9.820 8.059 3.724 184 2HA GLY 29 HA2 GLY 29 -11.041 7.497 4.857 185 H GLN 30 HN GLN 30 -7.955 8.319 4.752 186 HA GLN 30 HA GLN 30 -7.986 9.682 7.363 187 1HB GLN 30 HB2 GLN 30 -6.248 7.382 6.464 188 2HB GLN 30 HB1 GLN 30 -5.945 8.324 7.917 189 1HG GLN 30 HG2 GLN 30 -8.024 7.609 8.880 190 2HG GLN 30 HG1 GLN 30 -8.477 6.790 7.386 191 1HE2 GLN 30 1HE2 GLN 30 -6.494 5.306 6.649 192 2HE2 GLN 30 2HE2 GLN 30 -5.982 4.200 7.874 193 H TRP 31 HN TRP 31 -6.310 11.129 7.791 194 HA TRP 31 HA TRP 31 -4.451 11.697 5.594 195 1HB TRP 31 HB2 TRP 31 -5.856 13.922 7.057 196 2HB TRP 31 HB1 TRP 31 -4.919 14.015 5.571 197 HD1 TRP 31 HD1 TRP 31 -8.329 12.729 6.844 198 HE1 TRP 31 HE1 TRP 31 -9.964 12.698 4.856 199 HE3 TRP 31 HE3 TRP 31 -5.082 13.991 3.102 200 HZ2 TRP 31 HZ2 TRP 31 -9.886 13.150 2.069 201 HZ3 TRP 31 HZ3 TRP 31 -5.942 14.169 0.804 202 HH2 TRP 31 HH2 TRP 31 -8.295 13.757 0.300 203 H GLY 32 HN GLY 32 -2.524 12.766 6.206 204 1HA GLY 32 HA1 GLY 32 -1.237 11.910 8.440 205 2HA GLY 32 HA2 GLY 32 -2.017 13.393 8.972 206 H VAL 33 HN VAL 33 0.005 14.386 9.330 207 HA VAL 33 HA VAL 33 1.200 15.442 6.879 208 HB VAL 33 HB VAL 33 1.597 16.341 9.737 209 1HG1 VAL 33 1HG1 VAL 33 3.489 16.841 8.215 210 2HG1 VAL 33 3HG1 VAL 33 2.373 17.719 7.168 211 3HG1 VAL 33 2HG1 VAL 33 2.675 18.289 8.809 212 1HG2 VAL 33 3HG2 VAL 33 -0.186 17.378 7.543 213 2HG2 VAL 33 2HG2 VAL 33 -0.663 16.777 9.131 214 3HG2 VAL 33 1HG2 VAL 33 0.215 18.300 8.992 215 H GLN 34 HN GLN 34 2.935 14.446 6.110 216 HA GLN 34 HA GLN 34 4.901 13.387 8.033 217 1HB GLN 34 HB2 GLN 34 3.563 11.703 6.549 218 2HB GLN 34 HB1 GLN 34 4.635 12.261 5.267 219 1HG GLN 34 HG2 GLN 34 6.239 10.935 5.973 220 2HG GLN 34 HG1 GLN 34 6.194 11.674 7.573 221 1HE2 GLN 34 1HE2 GLN 34 5.168 9.043 5.601 222 2HE2 GLN 34 2HE2 GLN 34 4.546 8.048 6.872 223 H ASN 35 HN ASN 35 6.896 14.182 7.864 224 HA ASN 35 HA ASN 35 8.671 15.384 7.108 225 1HB ASN 35 HB2 ASN 35 8.844 13.647 5.448 226 2HB ASN 35 HB1 ASN 35 7.562 14.366 4.485 227 1HD2 ASN 35 1HD2 ASN 35 8.609 14.746 2.652 228 2HD2 ASN 35 2HD2 ASN 35 9.981 15.786 2.492 229 H GLY 36 HN GLY 36 6.127 16.717 7.559 230 1HA GLY 36 HA1 GLY 36 6.788 19.277 6.539 231 2HA GLY 36 HA2 GLY 36 5.321 18.862 7.411 232 H GLN 37 HN GLN 37 4.152 17.026 5.730 233 HA GLN 37 HA GLN 37 3.164 18.767 3.655 234 1HB GLN 37 HB2 GLN 37 4.448 16.142 2.878 235 2HB GLN 37 HB1 GLN 37 3.613 17.249 1.797 236 1HG GLN 37 HG2 GLN 37 5.335 18.968 2.361 237 2HG GLN 37 HG1 GLN 37 6.209 17.714 3.239 238 1HE2 GLN 37 1HE2 GLN 37 4.525 17.846 0.116 239 2HE2 GLN 37 2HE2 GLN 37 5.850 17.245 -0.817 240 H TRP 38 HN TRP 38 1.038 18.467 3.472 241 HA TRP 38 HA TRP 38 -0.321 16.475 4.950 242 1HB TRP 38 HB2 TRP 38 -1.106 18.604 3.019 243 2HB TRP 38 HB1 TRP 38 -2.265 17.315 3.323 244 HD1 TRP 38 HD1 TRP 38 -1.727 20.632 4.416 245 HE1 TRP 38 HE1 TRP 38 -2.553 21.049 6.818 246 HE3 TRP 38 HE3 TRP 38 -2.130 15.783 5.992 247 HZ2 TRP 38 HZ2 TRP 38 -3.280 19.526 9.080 248 HZ3 TRP 38 HZ3 TRP 38 -2.899 15.350 8.291 249 HH2 TRP 38 HH2 TRP 38 -3.461 17.184 9.800 250 H CYS 39 HN CYS 39 -1.376 14.611 4.299 251 HA CYS 39 HA CYS 39 -1.686 13.784 1.631 252 1HB CYS 39 HB2 CYS 39 0.069 11.796 2.044 253 2HB CYS 39 HB1 CYS 39 0.489 13.282 1.208 254 H GLY 40 HN GLY 40 -2.744 11.791 1.436 255 1HA GLY 40 HA1 GLY 40 -4.411 10.378 2.217 256 2HA GLY 40 HA2 GLY 40 -4.100 10.957 3.846 257 H ILE 41 HN ILE 41 -4.232 8.796 4.615 258 HA ILE 41 HA ILE 41 -1.689 7.405 4.416 259 HB ILE 41 HB ILE 41 -3.999 7.297 6.301 260 1HG1 ILE 41 2HG1 ILE 41 -2.057 7.307 7.928 261 2HG1 ILE 41 1HG1 ILE 41 -0.998 7.490 6.534 262 1HG2 ILE 41 2HG2 ILE 41 -2.169 5.012 5.704 263 2HG2 ILE 41 1HG2 ILE 41 -2.747 5.275 7.350 264 3HG2 ILE 41 3HG2 ILE 41 -3.900 5.004 6.043 265 1HD1 ILE 41 2HD1 ILE 41 -3.230 9.400 6.739 266 2HD1 ILE 41 1HD1 ILE 41 -1.944 9.548 7.936 267 3HD1 ILE 41 3HD1 ILE 41 -1.564 9.644 6.217 268 H ASP 42 HN ASP 42 -1.620 6.342 2.509 269 HA ASP 42 HA ASP 42 -3.708 4.318 2.036 270 1HB ASP 42 HB2 ASP 42 -1.984 5.669 -0.052 271 2HB ASP 42 HB1 ASP 42 -3.287 4.525 -0.351 272 H TYR 43 HN TYR 43 -2.650 2.686 3.179 273 HA TYR 43 HA TYR 43 0.006 2.010 3.172 274 1HB TYR 43 HB2 TYR 43 -2.215 -0.033 3.076 275 2HB TYR 43 HB1 TYR 43 -0.636 -0.199 3.839 276 HD1 TYR 43 HD1 TYR 43 -3.421 -0.598 5.103 277 HD2 TYR 43 HD2 TYR 43 -0.737 2.704 5.025 278 HE1 TYR 43 HE1 TYR 43 -4.363 0.213 7.225 279 HE2 TYR 43 HE2 TYR 43 -1.672 3.525 7.146 280 HH TYR 43 HH TYR 43 -3.469 1.712 9.184 281 H SER 44 HN SER 44 -2.321 1.567 0.641 282 HA SER 44 HA SER 44 -0.239 0.329 -1.039 283 1HB SER 44 HB2 SER 44 -3.193 -0.175 -0.872 284 2HB SER 44 HB1 SER 44 -2.365 -0.399 -2.414 285 HG SER 44 HG SER 44 -2.171 -1.857 -0.054 286 H TYR 45 HN TYR 45 -0.163 2.987 -0.770 287 HA TYR 45 HA TYR 45 -1.823 4.436 -2.525 288 1HB TYR 45 HB2 TYR 45 -0.742 6.260 -1.762 289 2HB TYR 45 HB1 TYR 45 -0.127 5.139 -0.562 290 HD1 TYR 45 HD1 TYR 45 2.183 4.739 -0.363 291 HD2 TYR 45 HD2 TYR 45 0.685 6.791 -3.768 292 HE1 TYR 45 HE1 TYR 45 4.479 5.332 -1.006 293 HE2 TYR 45 HE2 TYR 45 2.975 7.393 -4.424 294 HH TYR 45 HH TYR 45 5.522 7.340 -2.476 295 H GLY 46 HN GLY 46 0.575 2.222 -3.282 296 1HA GLY 46 HA1 GLY 46 0.896 3.481 -5.937 297 2HA GLY 46 HA2 GLY 46 0.696 1.753 -5.702 298 H GLN 47 HN GLN 47 2.456 1.233 -3.663 299 HA GLN 47 HA GLN 47 5.039 2.250 -4.587 300 1HB GLN 47 HB2 GLN 47 4.278 0.683 -2.120 301 2HB GLN 47 HB1 GLN 47 5.925 1.155 -2.524 302 1HG GLN 47 HG2 GLN 47 4.447 3.505 -2.700 303 2HG GLN 47 HG1 GLN 47 3.826 2.680 -1.270 304 1HE2 GLN 47 1HE2 GLN 47 6.266 4.621 -2.513 305 2HE2 GLN 47 2HE2 GLN 47 7.357 4.550 -1.176 306 H ASN 48 HN ASN 48 6.610 0.972 -5.430 307 HA ASN 48 HA ASN 48 5.907 -1.249 -6.928 308 1HB ASN 48 HB2 ASN 48 8.698 -0.682 -5.932 309 2HB ASN 48 HB1 ASN 48 8.234 -1.512 -7.414 310 1HD2 ASN 48 1HD2 ASN 48 9.985 0.583 -7.467 311 2HD2 ASN 48 2HD2 ASN 48 9.245 1.942 -8.235 312 H GLN 49 HN GLN 49 7.298 -3.350 -6.759 313 HA GLN 49 HA GLN 49 6.548 -4.613 -4.247 314 1HB GLN 49 HB2 GLN 49 5.798 -5.942 -5.970 315 2HB GLN 49 HB1 GLN 49 7.125 -5.513 -7.035 316 1HG GLN 49 HG2 GLN 49 7.785 -7.174 -4.679 317 2HG GLN 49 HG1 GLN 49 6.815 -7.919 -5.944 318 1HE2 GLN 49 1HE2 GLN 49 9.191 -9.008 -5.505 319 2HE2 GLN 49 2HE2 GLN 49 10.309 -8.615 -6.762 320 H GLY 50 HN GLY 50 8.733 -2.788 -4.137 321 1HA GLY 50 HA1 GLY 50 11.035 -2.664 -3.749 322 2HA GLY 50 HA2 GLY 50 11.158 -4.387 -4.062 323 H ASN 51 HN ASN 51 8.747 -4.566 -2.060 324 HA ASN 51 HA ASN 51 8.534 -5.196 0.118 325 1HB ASN 51 HB2 ASN 51 10.777 -6.343 -0.482 326 2HB ASN 51 HB1 ASN 51 11.514 -5.049 0.458 327 1HD2 ASN 51 1HD2 ASN 51 9.139 -7.647 0.606 328 2HD2 ASN 51 2HD2 ASN 51 9.308 -7.949 2.299 329 H GLU 52 HN GLU 52 8.286 -2.492 -0.491 330 HA GLU 52 HA GLU 52 9.808 -0.883 1.323 331 1HB GLU 52 HB2 GLU 52 7.302 -0.316 -0.265 332 2HB GLU 52 HB1 GLU 52 8.137 0.887 0.708 333 1HG GLU 52 HG2 GLU 52 10.114 -0.223 -0.903 334 2HG GLU 52 HG1 GLU 52 8.709 -0.050 -1.955 335 H SER 53 HN SER 53 6.748 -2.567 1.452 336 HA SER 53 HA SER 53 6.624 -2.222 4.302 337 1HB SER 53 HB2 SER 53 5.463 -0.185 2.990 338 2HB SER 53 HB1 SER 53 4.112 -1.318 3.004 339 HG SER 53 HG SER 53 4.635 0.252 4.902 340 H CYS 54 HN CYS 54 4.093 -2.977 4.864 341 HA CYS 54 HA CYS 54 3.562 -5.398 3.299 342 1HB CYS 54 HB2 CYS 54 3.525 -6.822 5.198 343 2HB CYS 54 HB1 CYS 54 5.016 -5.898 5.333 344 H THR 55 HN THR 55 1.437 -6.405 3.970 345 HA THR 55 HA THR 55 -0.542 -4.296 4.298 346 HB THR 55 HB THR 55 -0.844 -7.200 3.494 347 HG1 THR 55 HG1 THR 55 -0.282 -6.430 1.640 348 1HG2 THR 55 2HG2 THR 55 -2.890 -5.003 3.637 349 2HG2 THR 55 1HG2 THR 55 -3.105 -6.484 2.701 350 3HG2 THR 55 3HG2 THR 55 -2.918 -6.565 4.454 351 H GLY 56 HN GLY 56 -2.507 -4.900 5.652 352 1HA GLY 56 HA1 GLY 56 -2.112 -6.806 7.760 353 2HA GLY 56 HA2 GLY 56 -3.450 -5.681 7.606 354 H ASN 57 HN ASN 57 -1.192 -3.547 7.313 355 HA ASN 57 HA ASN 57 -0.089 -3.457 9.974 356 1HB ASN 57 HB2 ASN 57 -0.148 -0.967 8.364 357 2HB ASN 57 HB1 ASN 57 1.177 -1.695 9.264 358 1HD2 ASN 57 1HD2 ASN 57 0.999 -0.592 6.533 359 2HD2 ASN 57 2HD2 ASN 57 1.574 -1.849 5.497 360 H GLY 58 HN GLY 58 -3.163 -3.140 9.119 361 1HA GLY 58 HA1 GLY 58 -4.963 -1.878 9.829 362 2HA GLY 58 HA2 GLY 58 -3.839 -0.640 10.372 363 H SER 59 HN SER 59 -3.499 -3.959 11.386 364 HA SER 59 HA SER 59 -3.721 -3.169 14.132 365 1HB SER 59 HB2 SER 59 -6.065 -3.415 13.789 366 2HB SER 59 HB1 SER 59 -5.844 -4.919 12.894 367 HG SER 59 HG SER 59 -6.434 -5.520 14.919 368 H TYR 60 HN TYR 60 -3.544 -5.855 11.829 369 HA TYR 60 HA TYR 60 -2.103 -7.466 13.796 370 1HB TYR 60 HB2 TYR 60 -2.372 -8.690 11.174 371 2HB TYR 60 HB1 TYR 60 -2.930 -9.263 12.739 372 HD1 TYR 60 HD1 TYR 60 -3.932 -8.208 9.557 373 HD2 TYR 60 HD2 TYR 60 -5.100 -8.031 13.642 374 HE1 TYR 60 HE1 TYR 60 -6.251 -7.774 8.868 375 HE2 TYR 60 HE2 TYR 60 -7.424 -7.595 12.966 376 HH TYR 60 HH TYR 60 -8.285 -6.807 9.749 377 HA PRO 61 HA PRO 61 1.820 -7.030 11.756 378 1HB PRO 61 HB2 PRO 61 2.956 -9.418 11.922 379 2HB PRO 61 HB1 PRO 61 2.424 -8.589 13.392 380 1HG PRO 61 HG2 PRO 61 1.098 -10.813 11.884 381 2HG PRO 61 HG1 PRO 61 1.271 -10.596 13.636 382 1HD PRO 61 HD2 PRO 61 -0.983 -9.935 12.144 383 2HD PRO 61 HD1 PRO 61 -0.605 -9.311 13.761 384 H CYS 62 HN CYS 62 3.431 -8.374 10.182 385 HA CYS 62 HA CYS 62 1.958 -8.631 7.672 386 1HB CYS 62 HB2 CYS 62 4.934 -8.874 7.797 387 2HB CYS 62 HB1 CYS 62 3.925 -8.150 6.555 388 H CYS 63 HN CYS 63 2.112 -10.474 6.337 389 HA CYS 63 HA CYS 63 2.405 -12.932 7.790 390 1HB CYS 63 HB2 CYS 63 1.362 -12.113 5.150 391 2HB CYS 63 HB1 CYS 63 2.030 -13.736 5.226 392 H ASN 64 HN ASN 64 3.788 -11.811 4.743 393 HA ASN 64 HA ASN 64 6.101 -11.702 4.256 394 1HB ASN 64 HB2 ASN 64 7.737 -12.854 5.375 395 2HB ASN 64 HB1 ASN 64 6.514 -12.802 6.633 396 1HD2 ASN 64 1HD2 ASN 64 7.764 -14.806 4.007 397 2HD2 ASN 64 2HD2 ASN 64 7.415 -16.323 4.756 398 H THR 65 HN THR 65 3.688 -13.968 3.914 399 HA THR 65 HA THR 65 5.107 -15.419 1.798 400 HB THR 65 HB THR 65 3.918 -16.697 3.595 401 HG1 THR 65 HG1 THR 65 4.253 -17.567 1.478 402 1HG2 THR 65 2HG2 THR 65 1.964 -15.153 3.788 403 2HG2 THR 65 1HG2 THR 65 1.384 -15.801 2.254 404 3HG2 THR 65 3HG2 THR 65 1.556 -16.864 3.651 405 H CYS 66 HN CYS 66 4.339 -15.449 -0.313 406 HA CYS 66 HA CYS 66 2.573 -13.224 -0.983 407 1HB CYS 66 HB2 CYS 66 3.988 -14.959 -2.996 408 2HB CYS 66 HB1 CYS 66 3.469 -13.283 -3.156 409 H GLN 67 HN GLN 67 1.333 -15.369 0.241 410 HA GLN 67 HA GLN 67 -0.313 -16.448 -1.947 411 1HB GLN 67 HB2 GLN 67 0.620 -18.397 -1.136 412 2HB GLN 67 HB1 GLN 67 0.826 -17.752 0.483 413 1HG GLN 67 HG2 GLN 67 -1.973 -18.008 -0.151 414 2HG GLN 67 HG1 GLN 67 -1.127 -19.530 -0.414 415 1HE2 GLN 67 1HE2 GLN 67 -0.310 -17.051 1.948 416 2HE2 GLN 67 2HE2 GLN 67 -0.619 -18.021 3.344 417 H ALA 68 HN ALA 68 -1.777 -14.768 -1.847 418 HA ALA 68 HA ALA 68 -3.007 -14.062 0.668 419 1HB ALA 68 HB1 ALA 68 -3.098 -12.975 -2.099 420 2HB ALA 68 HB2 ALA 68 -2.714 -12.170 -0.577 421 3HB ALA 68 HB3 ALA 68 -4.387 -12.575 -0.963 422 H THR 69 HN THR 69 -4.078 -15.900 1.228 423 HA THR 69 HA THR 69 -5.845 -17.348 -0.398 424 HB THR 69 HB THR 69 -5.330 -18.562 1.469 425 HG1 THR 69 HG1 THR 69 -7.590 -17.230 2.528 426 1HG2 THR 69 1HG2 THR 69 -5.480 -16.008 3.025 427 2HG2 THR 69 3HG2 THR 69 -5.388 -17.591 3.802 428 3HG2 THR 69 2HG2 THR 69 -4.083 -17.049 2.742 429 H TYR 70 HN TYR 70 -6.188 -14.292 1.191 430 HA TYR 70 HA TYR 70 -8.827 -14.019 0.051 431 1HB TYR 70 HB2 TYR 70 -10.092 -13.933 1.945 432 2HB TYR 70 HB1 TYR 70 -8.855 -15.046 2.511 433 HD1 TYR 70 HD1 TYR 70 -9.564 -11.370 2.409 434 HD2 TYR 70 HD2 TYR 70 -7.857 -14.628 4.550 435 HE1 TYR 70 HE1 TYR 70 -9.116 -9.881 4.310 436 HE2 TYR 70 HE2 TYR 70 -7.398 -13.143 6.455 437 HH TYR 70 HH TYR 70 -7.050 -10.657 6.810 438 H THR 71 HN THR 71 -9.389 -11.933 -0.370 439 HA THR 71 HA THR 71 -7.459 -9.862 0.450 440 HB THR 71 HB THR 71 -9.012 -10.076 -2.136 441 HG1 THR 71 HG1 THR 71 -7.112 -11.393 -1.938 442 1HG2 THR 71 1HG2 THR 71 -8.566 -7.719 -1.149 443 2HG2 THR 71 3HG2 THR 71 -6.900 -8.033 -1.638 444 3HG2 THR 71 2HG2 THR 71 -8.190 -8.050 -2.841 445 H ASP 72 HN ASP 72 -8.252 -7.956 1.226 446 HA ASP 72 HA ASP 72 -11.178 -7.745 1.432 447 1HB ASP 72 HB2 ASP 72 -9.406 -8.104 3.538 448 2HB ASP 72 HB1 ASP 72 -9.728 -6.373 3.558 449 H GLY 73 HN GLY 73 -11.329 -5.254 2.610 450 1HA GLY 73 HA1 GLY 73 -11.577 -3.080 1.902 451 2HA GLY 73 HA2 GLY 73 -10.954 -3.571 0.336 452 H ASP 74 HN ASP 74 -8.652 -4.593 2.448 453 HA ASP 74 HA ASP 74 -7.227 -2.017 2.286 454 1HB ASP 74 HB2 ASP 74 -7.767 -3.635 4.559 455 2HB ASP 74 HB1 ASP 74 -6.036 -3.720 4.251 456 H GLY 75 HN GLY 75 -7.405 -4.845 0.772 457 1HA GLY 75 HA1 GLY 75 -4.480 -5.108 0.471 458 2HA GLY 75 HA2 GLY 75 -5.562 -5.078 -0.915 459 H ASP 76 HN ASP 76 -3.697 -7.154 -0.142 460 HA ASP 76 HA ASP 76 -5.580 -9.377 -0.161 461 1HB ASP 76 HB2 ASP 76 -2.688 -9.969 -0.279 462 2HB ASP 76 HB1 ASP 76 -4.003 -10.557 -1.288 463 H TRP 77 HN TRP 77 -5.015 -11.344 1.129 464 HA TRP 77 HA TRP 77 -3.603 -10.824 3.615 465 1HB TRP 77 HB2 TRP 77 -6.499 -11.676 3.633 466 2HB TRP 77 HB1 TRP 77 -5.477 -11.385 5.037 467 HD1 TRP 77 HD1 TRP 77 -7.362 -9.500 2.271 468 HE1 TRP 77 HE1 TRP 77 -7.640 -7.054 2.996 469 HE3 TRP 77 HE3 TRP 77 -4.478 -9.576 6.488 470 HZ2 TRP 77 HZ2 TRP 77 -6.760 -5.379 5.074 471 HZ3 TRP 77 HZ3 TRP 77 -4.249 -7.501 7.787 472 HH2 TRP 77 HH2 TRP 77 -5.366 -5.445 7.094 473 H ALA 78 HN ALA 78 -3.108 -12.680 4.820 474 HA ALA 78 HA ALA 78 -3.790 -15.266 3.685 475 1HB ALA 78 HB1 ALA 78 -0.916 -14.428 4.035 476 2HB ALA 78 HB3 ALA 78 -1.503 -15.985 3.445 477 3HB ALA 78 HB2 ALA 78 -1.765 -14.526 2.490 478 H PHE 79 HN PHE 79 -3.149 -17.067 5.046 479 HA PHE 79 HA PHE 79 -3.071 -16.295 7.880 480 1HB PHE 79 HB2 PHE 79 -4.972 -17.734 7.023 481 2HB PHE 79 HB1 PHE 79 -3.784 -19.001 6.733 482 HD1 PHE 79 HD1 PHE 79 -3.661 -20.627 8.335 483 HD2 PHE 79 HD2 PHE 79 -4.708 -16.671 9.504 484 HE1 PHE 79 HE1 PHE 79 -3.899 -21.383 10.664 485 HE2 PHE 79 HE2 PHE 79 -4.947 -17.420 11.835 486 HZ PHE 79 HZ PHE 79 -4.542 -19.778 12.418 487 H GLU 80 HN GLU 80 -1.018 -16.217 8.563 488 HA GLU 80 HA GLU 80 0.684 -18.552 8.026 489 1HB GLU 80 HB2 GLU 80 1.429 -16.809 6.527 490 2HB GLU 80 HB1 GLU 80 1.483 -15.646 7.841 491 1HG GLU 80 HG2 GLU 80 3.702 -16.386 7.239 492 2HG GLU 80 HG1 GLU 80 3.295 -16.884 8.882 493 H ASN 81 HN ASN 81 2.123 -19.118 9.664 494 HA ASN 81 HA ASN 81 2.768 -19.433 11.823 495 1HB ASN 81 HB2 ASN 81 2.804 -16.512 11.410 496 2HB ASN 81 HB1 ASN 81 2.758 -17.021 13.095 497 1HD2 ASN 81 1HD2 ASN 81 4.790 -16.061 10.830 498 2HD2 ASN 81 2HD2 ASN 81 6.206 -16.956 11.250 499 H GLY 82 HN GLY 82 -0.125 -19.432 11.105 500 1HA GLY 82 HA1 GLY 82 -1.170 -19.847 13.700 501 2HA GLY 82 HA2 GLY 82 -2.099 -19.822 12.208 502 H ASN 83 HN ASN 83 -1.165 -17.072 11.577 503 HA ASN 83 HA ASN 83 -3.055 -15.681 13.334 504 1HB ASN 83 HB2 ASN 83 -1.507 -13.723 13.433 505 2HB ASN 83 HB1 ASN 83 -0.911 -15.142 14.287 506 1HD2 ASN 83 1HD2 ASN 83 1.176 -15.389 14.042 507 2HD2 ASN 83 2HD2 ASN 83 2.086 -15.065 12.610 508 H TRP 84 HN TRP 84 -4.034 -13.833 12.426 509 HA TRP 84 HA TRP 84 -4.245 -13.939 9.543 510 1HB TRP 84 HB2 TRP 84 -5.717 -12.515 11.733 511 2HB TRP 84 HB1 TRP 84 -5.891 -11.963 10.070 512 HD1 TRP 84 HD1 TRP 84 -7.826 -13.847 12.296 513 HE1 TRP 84 HE1 TRP 84 -9.186 -15.712 11.157 514 HE3 TRP 84 HE3 TRP 84 -5.298 -14.104 7.859 515 HZ2 TRP 84 HZ2 TRP 84 -9.188 -17.107 8.703 516 HZ3 TRP 84 HZ3 TRP 84 -6.043 -15.731 6.170 517 HH2 TRP 84 HH2 TRP 84 -7.947 -17.201 6.585 518 H CYS 85 HN CYS 85 -2.339 -13.167 8.732 519 HA CYS 85 HA CYS 85 -1.654 -10.376 9.369 520 1HB CYS 85 HB2 CYS 85 0.584 -11.122 8.231 521 2HB CYS 85 HB1 CYS 85 0.267 -11.530 9.912 522 H GLY 86 HN GLY 86 -0.779 -9.088 7.569 523 1HA GLY 86 HA1 GLY 86 -1.558 -8.072 5.593 524 2HA GLY 86 HA2 GLY 86 -2.370 -9.570 5.168 525 H ILE 87 HN ILE 87 -1.466 -9.289 3.038 526 HA ILE 87 HA ILE 87 1.030 -10.682 2.759 527 HB ILE 87 HB ILE 87 -1.242 -10.102 1.080 528 1HG1 ILE 87 2HG1 ILE 87 -0.675 -12.137 0.035 529 2HG1 ILE 87 1HG1 ILE 87 1.030 -11.967 0.433 530 1HG2 ILE 87 2HG2 ILE 87 0.192 -8.458 -0.009 531 2HG2 ILE 87 1HG2 ILE 87 1.436 -9.689 -0.241 532 3HG2 ILE 87 3HG2 ILE 87 -0.115 -9.834 -1.068 533 1HD1 ILE 87 3HD1 ILE 87 -1.155 -12.451 2.439 534 2HD1 ILE 87 2HD1 ILE 87 -0.133 -13.703 1.727 535 3HD1 ILE 87 1HD1 ILE 87 0.583 -12.452 2.738 536 H LYS 88 HN LYS 88 2.967 -9.933 2.062 537 HA LYS 88 HA LYS 88 3.611 -7.226 2.564 538 1HB LYS 88 HB2 LYS 88 5.298 -9.167 0.989 539 2HB LYS 88 HB1 LYS 88 5.843 -7.791 1.937 540 1HG LYS 88 HG2 LYS 88 4.588 -10.295 3.045 541 2HG LYS 88 HG1 LYS 88 6.310 -9.910 3.051 542 1HD LYS 88 HD2 LYS 88 5.234 -7.679 4.197 543 2HD LYS 88 HD1 LYS 88 4.152 -8.943 4.784 544 1HE LYS 88 HE2 LYS 88 6.133 -8.461 6.252 545 2HE LYS 88 HE1 LYS 88 5.950 -10.145 5.765 546 1HZ LYS 88 HZ1 LYS 88 7.629 -8.408 4.111 547 2HZ LYS 88 HZ3 LYS 88 8.246 -8.917 5.603 548 3HZ LYS 88 HZ2 LYS 88 7.784 -10.059 4.444 549 H ASN 89 HN ASN 89 3.985 -5.517 1.207 550 HA ASN 89 HA ASN 89 2.585 -5.373 -1.203 551 1HB ASN 89 HB2 ASN 89 3.345 -3.182 -1.374 552 2HB ASN 89 HB1 ASN 89 3.492 -3.482 0.354 553 1HD2 ASN 89 1HD2 ASN 89 5.790 -4.934 0.486 554 2HD2 ASN 89 2HD2 ASN 89 7.120 -3.967 -0.032 555 H SER 90 HN SER 90 5.723 -6.607 -0.513 556 HA SER 90 HA SER 90 6.748 -6.384 -3.189 557 1HB SER 90 HB2 SER 90 8.407 -6.451 -1.501 558 2HB SER 90 HB1 SER 90 7.663 -7.841 -0.712 559 HG SER 90 HG SER 90 8.542 -9.154 -2.150 560 H CYS 91 HN CYS 91 4.627 -8.483 -1.554 561 HA CYS 91 HA CYS 91 5.080 -10.711 -3.368 562 1HB CYS 91 HB2 CYS 91 3.402 -10.321 -0.905 563 2HB CYS 91 HB1 CYS 91 3.137 -11.696 -1.972 564 H LYS 92 HN LYS 92 4.222 -8.379 -4.623 565 HA LYS 92 HA LYS 92 1.410 -8.926 -5.271 566 1HB LYS 92 HB2 LYS 92 3.057 -6.459 -5.838 567 2HB LYS 92 HB1 LYS 92 1.350 -6.661 -6.205 568 1HG LYS 92 HG2 LYS 92 0.756 -6.644 -3.926 569 2HG LYS 92 HG1 LYS 92 2.432 -6.851 -3.411 570 1HD LYS 92 HD2 LYS 92 1.888 -4.569 -3.050 571 2HD LYS 92 HD1 LYS 92 2.918 -4.621 -4.484 572 1HE LYS 92 HE2 LYS 92 1.103 -4.261 -5.931 573 2HE LYS 92 HE1 LYS 92 -0.079 -4.649 -4.680 574 1HZ LYS 92 HZ1 LYS 92 1.710 -2.369 -4.247 575 2HZ LYS 92 HZ3 LYS 92 0.430 -2.184 -5.337 576 3HZ LYS 92 HZ2 LYS 92 0.117 -2.601 -3.729 577 H GLN 93 HN GLN 93 4.147 -7.529 -7.035 578 HA GLN 93 HA GLN 93 3.912 -9.579 -9.088 579 1HB GLN 93 HB2 GLN 93 3.362 -6.658 -9.520 580 2HB GLN 93 HB1 GLN 93 3.986 -7.655 -10.827 581 1HG GLN 93 HG2 GLN 93 1.408 -8.051 -9.327 582 2HG GLN 93 HG1 GLN 93 1.595 -7.502 -10.992 583 1HE2 GLN 93 1HE2 GLN 93 0.615 -10.020 -9.310 584 2HE2 GLN 93 2HE2 GLN 93 1.094 -11.323 -10.337 585 H GLN 94 HN GLN 94 5.645 -9.252 -10.790 586 HA GLN 94 HA GLN 94 8.139 -8.671 -9.414 587 1HB GLN 94 HB2 GLN 94 8.024 -9.723 -12.213 588 2HB GLN 94 HB1 GLN 94 9.218 -10.023 -10.961 589 1HG GLN 94 HG2 GLN 94 7.803 -11.536 -9.832 590 2HG GLN 94 HG1 GLN 94 6.403 -11.051 -10.787 591 1HE2 GLN 94 1HE2 GLN 94 9.676 -11.763 -11.888 592 2HE2 GLN 94 2HE2 GLN 94 9.243 -13.110 -12.880 593 HA PRO 95 HA PRO 95 8.535 -5.720 -13.145 594 1HB PRO 95 HB2 PRO 95 6.104 -5.620 -14.667 595 2HB PRO 95 HB1 PRO 95 7.670 -6.264 -15.159 596 1HG PRO 95 HG2 PRO 95 5.416 -7.795 -14.774 597 2HG PRO 95 HG1 PRO 95 7.074 -8.411 -14.674 598 1HD PRO 95 HD2 PRO 95 5.217 -7.603 -12.468 599 2HD PRO 95 HD1 PRO 95 6.327 -8.988 -12.560 600 H GLN 96 HN GLN 96 7.301 -5.174 -10.610 601 HA GLN 96 HA GLN 96 5.227 -3.227 -10.992 602 1HB GLN 96 HB2 GLN 96 6.931 -3.929 -8.598 603 2HB GLN 96 HB1 GLN 96 5.637 -2.739 -8.560 604 1HG GLN 96 HG2 GLN 96 4.776 -5.280 -9.664 605 2HG GLN 96 HG1 GLN 96 5.408 -5.430 -8.026 606 1HE2 GLN 96 1HE2 GLN 96 2.715 -4.793 -9.840 607 2HE2 GLN 96 2HE2 GLN 96 1.743 -4.025 -8.636 608 H ASN 97 HN ASN 97 5.727 -1.415 -12.061 609 HA ASN 97 HA ASN 97 6.660 0.612 -12.516 610 1HB ASN 97 HB2 ASN 97 6.680 0.815 -9.993 611 2HB ASN 97 HB1 ASN 97 8.348 0.252 -10.034 612 1HD2 ASN 97 1HD2 ASN 97 9.855 1.745 -10.142 613 2HD2 ASN 97 2HD2 ASN 97 9.640 3.371 -10.684 614 H ASN 98 HN ASN 98 8.139 1.056 -14.025 615 HA ASN 98 HA ASN 98 9.948 -0.761 -15.000 616 1HB ASN 98 HB2 ASN 98 9.399 2.071 -15.402 617 2HB ASN 98 HB1 ASN 98 11.099 1.684 -15.652 618 1HD2 ASN 98 1HD2 ASN 98 11.355 -0.472 -16.924 619 2HD2 ASN 98 2HD2 ASN 98 10.405 -0.574 -18.364 620 H ASN 99 HN ASN 99 12.321 -0.674 -15.090 621 HA ASN 99 HA ASN 99 13.488 -0.908 -12.576 622 1HB ASN 99 HB2 ASN 99 14.394 -1.940 -14.632 623 2HB ASN 99 HB1 ASN 99 14.884 -0.348 -15.203 624 1HD2 ASN 99 1HD2 ASN 99 15.499 -2.893 -12.922 625 2HD2 ASN 99 2HD2 ASN 99 17.056 -2.341 -12.418 626 H GLN 100 HN GLN 100 13.091 0.901 -11.313 627 HA GLN 100 HA GLN 100 13.284 3.039 -10.524 628 1HB GLN 100 HB2 GLN 100 15.641 3.847 -10.471 629 2HB GLN 100 HB1 GLN 100 15.446 2.188 -9.924 630 1HG GLN 100 HG2 GLN 100 16.298 1.337 -11.989 631 2HG GLN 100 HG1 GLN 100 16.317 2.951 -12.699 632 1HE2 GLN 100 1HE2 GLN 100 17.495 4.519 -10.961 633 2HE2 GLN 100 2HE2 GLN 100 19.090 3.981 -10.571 No H/Q in entry = 633 Start of MODEL 2 1 H1 ALA 1 HT2 ALA 1 3.893 1.980 -9.583 2 H2 ALA 1 HT1 ALA 1 2.929 2.853 -10.703 3 H3 ALA 1 HT3 ALA 1 4.635 2.842 -10.868 4 HA ALA 1 HA ALA 1 4.926 4.066 -8.921 5 1HB ALA 1 HB2 ALA 1 3.958 5.080 -11.197 6 2HB ALA 1 HB1 ALA 1 2.676 5.581 -10.094 7 3HB ALA 1 HB3 ALA 1 4.341 6.072 -9.790 8 H MET 2 HN MET 2 3.394 5.813 -7.638 9 HA MET 2 HA MET 2 2.074 4.247 -5.692 10 1HB MET 2 HB2 MET 2 2.278 7.218 -6.139 11 2HB MET 2 HB1 MET 2 1.375 6.532 -4.795 12 1HG MET 2 HG2 MET 2 3.392 6.927 -3.806 13 2HG MET 2 HG1 MET 2 3.599 5.255 -4.327 14 1HE MET 2 HE3 MET 2 4.785 4.394 -5.907 15 2HE MET 2 HE2 MET 2 5.604 5.173 -7.261 16 3HE MET 2 HE1 MET 2 6.459 4.926 -5.739 17 H ALA 3 HN ALA 3 -0.149 5.212 -4.864 18 HA ALA 3 HA ALA 3 -2.051 5.515 -7.071 19 1HB ALA 3 HB1 ALA 3 -1.603 3.048 -6.249 20 2HB ALA 3 HB3 ALA 3 -2.705 3.521 -4.957 21 3HB ALA 3 HB2 ALA 3 -3.231 3.597 -6.639 22 H CYS 4 HN CYS 4 -1.143 7.324 -5.003 23 HA CYS 4 HA CYS 4 -2.445 7.688 -2.717 24 1HB CYS 4 HB2 CYS 4 -2.705 10.093 -4.403 25 2HB CYS 4 HB1 CYS 4 -1.935 9.898 -2.842 26 H TRP 5 HN TRP 5 -4.479 6.686 -2.583 27 HA TRP 5 HA TRP 5 -6.625 7.093 -4.300 28 1HB TRP 5 HB2 TRP 5 -8.076 6.472 -2.370 29 2HB TRP 5 HB1 TRP 5 -6.733 5.364 -2.623 30 HD1 TRP 5 HD1 TRP 5 -5.216 4.915 -0.600 31 HE1 TRP 5 HE1 TRP 5 -5.021 5.859 1.786 32 HE3 TRP 5 HE3 TRP 5 -8.411 8.840 -1.053 33 HZ2 TRP 5 HZ2 TRP 5 -6.095 8.004 3.278 34 HZ3 TRP 5 HZ3 TRP 5 -8.787 10.303 0.892 35 HH2 TRP 5 HH2 TRP 5 -7.649 9.889 3.016 36 H ALA 6 HN ALA 6 -5.175 9.244 -2.065 37 HA ALA 6 HA ALA 6 -7.442 10.967 -1.730 38 1HB ALA 6 HB3 ALA 6 -4.572 11.697 -1.212 39 2HB ALA 6 HB2 ALA 6 -6.023 12.349 -0.451 40 3HB ALA 6 HB1 ALA 6 -5.510 10.697 -0.103 41 H GLN 7 HN GLN 7 -4.838 10.647 -4.040 42 HA GLN 7 HA GLN 7 -4.815 13.272 -5.045 43 1HB GLN 7 HB2 GLN 7 -3.680 12.421 -6.953 44 2HB GLN 7 HB1 GLN 7 -3.125 11.506 -5.563 45 1HG GLN 7 HG2 GLN 7 -3.848 9.581 -6.408 46 2HG GLN 7 HG1 GLN 7 -5.398 10.268 -6.890 47 1HE2 GLN 7 1HE2 GLN 7 -2.181 9.499 -7.829 48 2HE2 GLN 7 2HE2 GLN 7 -2.359 9.823 -9.517 49 H SER 8 HN SER 8 -7.112 10.728 -5.407 50 HA SER 8 HA SER 8 -8.299 11.342 -7.840 51 1HB SER 8 HB2 SER 8 -8.801 9.508 -5.931 52 2HB SER 8 HB1 SER 8 -10.128 10.626 -5.614 53 HG SER 8 HG SER 8 -9.722 8.926 -7.735 54 H GLN 9 HN GLN 9 -8.459 13.020 -4.795 55 HA GLN 9 HA GLN 9 -10.557 14.789 -5.835 56 1HB GLN 9 HB2 GLN 9 -9.505 15.076 -3.062 57 2HB GLN 9 HB1 GLN 9 -11.134 15.328 -3.673 58 1HG GLN 9 HG2 GLN 9 -11.441 13.431 -2.452 59 2HG GLN 9 HG1 GLN 9 -11.065 12.731 -4.025 60 1HE2 GLN 9 1HE2 GLN 9 -9.089 14.110 -1.424 61 2HE2 GLN 9 2HE2 GLN 9 -8.061 12.736 -1.242 62 H GLY 10 HN GLY 10 -7.216 14.713 -4.778 63 1HA GLY 10 HA1 GLY 10 -6.980 17.610 -5.119 64 2HA GLY 10 HA2 GLY 10 -6.086 16.594 -6.236 65 H TYR 11 HN TYR 11 -6.434 15.345 -3.051 66 HA TYR 11 HA TYR 11 -4.184 16.618 -1.869 67 1HB TYR 11 HB2 TYR 11 -5.879 14.251 -1.200 68 2HB TYR 11 HB1 TYR 11 -4.337 14.438 -0.374 69 HD1 TYR 11 HD1 TYR 11 -3.967 16.318 1.163 70 HD2 TYR 11 HD2 TYR 11 -7.717 15.754 -0.770 71 HE1 TYR 11 HE1 TYR 11 -5.014 17.868 2.755 72 HE2 TYR 11 HE2 TYR 11 -8.772 17.308 0.815 73 HH TYR 11 HH TYR 11 -7.951 18.056 3.483 74 H ASN 12 HN ASN 12 -2.469 14.888 -0.891 75 HA ASN 12 HA ASN 12 -1.418 13.337 -3.161 76 1HB ASN 12 HB2 ASN 12 -0.211 15.501 -2.950 77 2HB ASN 12 HB1 ASN 12 0.238 15.061 -1.305 78 1HD2 ASN 12 1HD2 ASN 12 2.019 13.902 -0.995 79 2HD2 ASN 12 2HD2 ASN 12 2.959 13.164 -2.243 80 H CYS 13 HN CYS 13 -0.663 11.346 -2.665 81 HA CYS 13 HA CYS 13 -1.365 10.079 -0.308 82 1HB CYS 13 HB2 CYS 13 0.574 8.431 -1.015 83 2HB CYS 13 HB1 CYS 13 -0.905 8.540 -1.954 84 H CYS 14 HN CYS 14 -0.113 9.211 1.419 85 HA CYS 14 HA CYS 14 1.824 11.110 2.440 86 1HB CYS 14 HB2 CYS 14 0.462 8.694 3.620 87 2HB CYS 14 HB1 CYS 14 1.736 9.554 4.470 88 H ASN 15 HN ASN 15 3.712 10.773 1.247 89 HA ASN 15 HA ASN 15 4.869 8.360 0.552 90 1HB ASN 15 HB2 ASN 15 5.704 10.497 -0.277 91 2HB ASN 15 HB1 ASN 15 6.213 10.956 1.344 92 1HD2 ASN 15 1HD2 ASN 15 8.206 10.547 1.907 93 2HD2 ASN 15 2HD2 ASN 15 9.295 9.479 1.092 94 H ASN 16 HN ASN 16 5.088 6.720 1.914 95 HA ASN 16 HA ASN 16 6.184 5.482 3.538 96 1HB ASN 16 HB2 ASN 16 6.734 8.020 5.084 97 2HB ASN 16 HB1 ASN 16 7.471 6.439 5.308 98 1HD2 ASN 16 1HD2 ASN 16 8.036 9.420 4.215 99 2HD2 ASN 16 2HD2 ASN 16 9.270 9.091 3.053 100 HA PRO 17 HA PRO 17 2.026 6.535 5.518 101 1HB PRO 17 HB2 PRO 17 0.758 4.268 4.694 102 2HB PRO 17 HB1 PRO 17 0.771 5.769 3.762 103 1HG PRO 17 HG2 PRO 17 2.474 3.327 3.443 104 2HG PRO 17 HG1 PRO 17 1.680 4.306 2.197 105 1HD PRO 17 HD2 PRO 17 4.301 4.558 2.746 106 2HD PRO 17 HD1 PRO 17 3.303 5.946 2.269 107 H SER 18 HN SER 18 4.225 3.865 5.502 108 HA SER 18 HA SER 18 3.013 2.408 7.638 109 1HB SER 18 HB2 SER 18 4.586 1.441 5.924 110 2HB SER 18 HB1 SER 18 5.899 2.278 6.752 111 HG SER 18 HG SER 18 4.710 -0.047 7.385 112 H SER 19 HN SER 19 4.509 5.368 7.641 113 HA SER 19 HA SER 19 5.008 5.173 10.506 114 1HB SER 19 HB2 SER 19 7.159 4.889 8.996 115 2HB SER 19 HB1 SER 19 7.040 6.645 8.877 116 HG SER 19 HG SER 19 7.221 5.114 11.260 117 H THR 20 HN THR 20 2.965 6.434 8.763 118 HA THR 20 HA THR 20 3.472 9.265 9.314 119 HB THR 20 HB THR 20 1.749 7.796 7.346 120 HG1 THR 20 HG1 THR 20 3.117 8.658 6.029 121 1HG2 THR 20 1HG2 THR 20 1.358 10.669 8.124 122 2HG2 THR 20 3HG2 THR 20 0.648 9.870 6.722 123 3HG2 THR 20 2HG2 THR 20 0.209 9.352 8.349 124 H LYS 21 HN LYS 21 2.554 10.079 11.082 125 HA LYS 21 HA LYS 21 0.636 8.653 12.614 126 1HB LYS 21 HB2 LYS 21 2.164 10.168 13.717 127 2HB LYS 21 HB1 LYS 21 1.578 11.522 12.761 128 1HG LYS 21 HG2 LYS 21 0.537 11.826 14.805 129 2HG LYS 21 HG1 LYS 21 -0.705 11.019 13.846 130 1HD LYS 21 HD2 LYS 21 -0.693 9.200 15.155 131 2HD LYS 21 HD1 LYS 21 1.067 9.179 15.268 132 1HE LYS 21 HE2 LYS 21 -0.645 11.139 16.777 133 2HE LYS 21 HE1 LYS 21 -0.199 9.563 17.430 134 1HZ LYS 21 HZ2 LYS 21 1.725 11.651 16.556 135 2HZ LYS 21 HZ1 LYS 21 1.297 11.336 18.161 136 3HZ LYS 21 HZ3 LYS 21 2.118 10.164 17.258 137 H VAL 22 HN VAL 22 -1.425 8.397 12.015 138 HA VAL 22 HA VAL 22 -2.699 10.345 10.302 139 HB VAL 22 HB VAL 22 -3.911 7.809 11.387 140 1HG1 VAL 22 3HG1 VAL 22 -5.006 9.872 9.946 141 2HG1 VAL 22 2HG1 VAL 22 -4.617 8.685 8.703 142 3HG1 VAL 22 1HG1 VAL 22 -5.651 8.235 10.059 143 1HG2 VAL 22 1HG2 VAL 22 -1.650 7.952 9.730 144 2HG2 VAL 22 3HG2 VAL 22 -2.637 6.536 10.090 145 3HG2 VAL 22 2HG2 VAL 22 -3.003 7.529 8.681 146 H GLU 23 HN GLU 23 -3.161 12.080 11.554 147 HA GLU 23 HA GLU 23 -4.479 11.730 14.116 148 1HB GLU 23 HB2 GLU 23 -4.560 14.373 13.818 149 2HB GLU 23 HB1 GLU 23 -3.102 13.546 14.344 150 1HG GLU 23 HG2 GLU 23 -2.037 13.852 12.327 151 2HG GLU 23 HG1 GLU 23 -3.547 14.032 11.435 152 H TYR 24 HN TYR 24 -5.445 11.552 11.013 153 HA TYR 24 HA TYR 24 -8.162 12.437 11.731 154 1HB TYR 24 HB2 TYR 24 -6.819 14.086 10.220 155 2HB TYR 24 HB1 TYR 24 -7.161 12.916 8.951 156 HD1 TYR 24 HD1 TYR 24 -8.403 15.709 10.777 157 HD2 TYR 24 HD2 TYR 24 -9.628 12.286 8.567 158 HE1 TYR 24 HE1 TYR 24 -10.622 16.719 10.452 159 HE2 TYR 24 HE2 TYR 24 -11.850 13.286 8.236 160 HH TYR 24 HH TYR 24 -12.540 16.379 8.551 161 H THR 25 HN THR 25 -9.867 11.397 10.627 162 HA THR 25 HA THR 25 -9.389 9.368 8.688 163 HB THR 25 HB THR 25 -10.259 8.386 11.408 164 HG1 THR 25 HG1 THR 25 -8.241 8.098 11.845 165 1HG2 THR 25 3HG2 THR 25 -10.570 7.246 8.889 166 2HG2 THR 25 2HG2 THR 25 -9.188 6.418 9.611 167 3HG2 THR 25 1HG2 THR 25 -10.737 6.449 10.456 168 H ASP 26 HN ASP 26 -11.033 9.926 7.436 169 HA ASP 26 HA ASP 26 -13.697 10.214 8.659 170 1HB ASP 26 HB2 ASP 26 -12.296 11.929 6.921 171 2HB ASP 26 HB1 ASP 26 -13.554 11.188 5.939 172 H ALA 27 HN ALA 27 -15.116 10.039 6.184 173 HA ALA 27 HA ALA 27 -15.144 7.160 5.902 174 1HB ALA 27 HB3 ALA 27 -17.055 7.831 4.231 175 2HB ALA 27 HB1 ALA 27 -16.934 9.386 5.053 176 3HB ALA 27 HB2 ALA 27 -17.305 7.929 5.975 177 H SER 28 HN SER 28 -13.127 9.270 4.643 178 HA SER 28 HA SER 28 -13.214 8.209 1.908 179 1HB SER 28 HB2 SER 28 -11.258 10.074 1.807 180 2HB SER 28 HB1 SER 28 -12.959 10.446 1.526 181 HG SER 28 HG SER 28 -11.736 10.578 4.079 182 H GLY 29 HN GLY 29 -11.457 8.202 4.878 183 1HA GLY 29 HA1 GLY 29 -9.147 6.892 3.646 184 2HA GLY 29 HA2 GLY 29 -10.094 5.985 4.817 185 H GLN 30 HN GLN 30 -7.268 7.214 4.697 186 HA GLN 30 HA GLN 30 -7.393 8.438 7.375 187 1HB GLN 30 HB2 GLN 30 -5.661 6.381 6.184 188 2HB GLN 30 HB1 GLN 30 -4.798 7.611 7.096 189 1HG GLN 30 HG2 GLN 30 -5.227 6.333 8.864 190 2HG GLN 30 HG1 GLN 30 -6.854 7.005 8.778 191 1HE2 GLN 30 1HE2 GLN 30 -5.129 4.573 6.859 192 2HE2 GLN 30 2HE2 GLN 30 -6.302 3.322 7.072 193 H TRP 31 HN TRP 31 -5.866 10.105 7.878 194 HA TRP 31 HA TRP 31 -4.448 11.342 5.658 195 1HB TRP 31 HB2 TRP 31 -6.329 13.031 7.296 196 2HB TRP 31 HB1 TRP 31 -5.482 13.467 5.818 197 HD1 TRP 31 HD1 TRP 31 -8.382 11.183 6.980 198 HE1 TRP 31 HE1 TRP 31 -10.015 10.914 5.009 199 HE3 TRP 31 HE3 TRP 31 -5.740 13.690 3.397 200 HZ2 TRP 31 HZ2 TRP 31 -10.161 11.671 2.287 201 HZ3 TRP 31 HZ3 TRP 31 -6.692 13.872 1.138 202 HH2 TRP 31 HH2 TRP 31 -8.856 12.885 0.595 203 H GLY 32 HN GLY 32 -2.849 12.837 6.300 204 1HA GLY 32 HA1 GLY 32 -1.355 12.201 8.516 205 2HA GLY 32 HA2 GLY 32 -2.407 13.508 9.041 206 H VAL 33 HN VAL 33 0.108 14.145 9.245 207 HA VAL 33 HA VAL 33 0.666 15.800 6.872 208 HB VAL 33 HB VAL 33 1.493 16.364 9.721 209 1HG1 VAL 33 2HG1 VAL 33 2.922 17.265 7.847 210 2HG1 VAL 33 1HG1 VAL 33 1.526 18.224 7.354 211 3HG1 VAL 33 3HG1 VAL 33 2.250 18.471 8.943 212 1HG2 VAL 33 3HG2 VAL 33 -0.977 16.475 9.310 213 2HG2 VAL 33 2HG2 VAL 33 -0.245 17.995 9.823 214 3HG2 VAL 33 1HG2 VAL 33 -0.660 17.744 8.127 215 H GLN 34 HN GLN 34 2.393 15.220 5.747 216 HA GLN 34 HA GLN 34 4.577 13.827 7.147 217 1HB GLN 34 HB2 GLN 34 3.222 12.695 5.199 218 2HB GLN 34 HB1 GLN 34 4.248 13.695 4.176 219 1HG GLN 34 HG2 GLN 34 5.936 12.296 4.396 220 2HG GLN 34 HG1 GLN 34 5.842 12.381 6.154 221 1HE2 GLN 34 1HE2 GLN 34 6.381 10.187 6.296 222 2HE2 GLN 34 2HE2 GLN 34 5.227 8.946 5.950 223 H ASN 35 HN ASN 35 6.401 14.926 7.350 224 HA ASN 35 HA ASN 35 8.052 16.452 7.019 225 1HB ASN 35 HB2 ASN 35 8.453 15.237 4.984 226 2HB ASN 35 HB1 ASN 35 7.122 16.052 4.173 227 1HD2 ASN 35 1HD2 ASN 35 8.064 17.104 2.586 228 2HD2 ASN 35 2HD2 ASN 35 9.356 18.241 2.757 229 H GLY 36 HN GLY 36 5.153 17.307 7.389 230 1HA GLY 36 HA1 GLY 36 5.677 20.140 6.991 231 2HA GLY 36 HA2 GLY 36 4.376 19.444 7.943 232 H GLN 37 HN GLN 37 3.317 17.729 5.924 233 HA GLN 37 HA GLN 37 1.778 19.694 4.473 234 1HB GLN 37 HB2 GLN 37 2.224 18.796 2.252 235 2HB GLN 37 HB1 GLN 37 3.708 19.390 2.984 236 1HG GLN 37 HG2 GLN 37 4.659 17.362 3.013 237 2HG GLN 37 HG1 GLN 37 3.157 16.547 3.444 238 1HE2 GLN 37 1HE2 GLN 37 2.459 15.196 1.967 239 2HE2 GLN 37 2HE2 GLN 37 2.686 15.336 0.261 240 H TRP 38 HN TRP 38 -0.225 18.947 3.829 241 HA TRP 38 HA TRP 38 -1.258 16.695 5.173 242 1HB TRP 38 HB2 TRP 38 -2.346 18.470 2.999 243 2HB TRP 38 HB1 TRP 38 -3.257 17.084 3.587 244 HD1 TRP 38 HD1 TRP 38 -3.472 20.525 3.984 245 HE1 TRP 38 HE1 TRP 38 -4.243 21.266 6.327 246 HE3 TRP 38 HE3 TRP 38 -2.555 16.196 6.549 247 HZ2 TRP 38 HZ2 TRP 38 -4.440 20.159 8.916 248 HZ3 TRP 38 HZ3 TRP 38 -3.064 16.120 8.955 249 HH2 TRP 38 HH2 TRP 38 -3.987 18.062 10.112 250 H CYS 39 HN CYS 39 -2.208 14.776 4.251 251 HA CYS 39 HA CYS 39 -1.807 13.965 1.594 252 1HB CYS 39 HB2 CYS 39 0.007 12.342 1.878 253 2HB CYS 39 HB1 CYS 39 0.564 13.978 2.209 254 H GLY 40 HN GLY 40 -2.226 11.613 1.282 255 1HA GLY 40 HA1 GLY 40 -4.217 10.291 1.683 256 2HA GLY 40 HA2 GLY 40 -4.056 10.665 3.393 257 H ILE 41 HN ILE 41 -3.271 9.082 4.611 258 HA ILE 41 HA ILE 41 -0.988 7.569 3.959 259 HB ILE 41 HB ILE 41 -3.093 7.240 6.079 260 1HG1 ILE 41 2HG1 ILE 41 -0.708 7.553 7.329 261 2HG1 ILE 41 1HG1 ILE 41 -0.414 8.450 5.843 262 1HG2 ILE 41 2HG2 ILE 41 -0.691 5.481 5.623 263 2HG2 ILE 41 1HG2 ILE 41 -1.650 5.509 7.103 264 3HG2 ILE 41 3HG2 ILE 41 -2.387 4.995 5.585 265 1HD1 ILE 41 2HD1 ILE 41 -2.971 9.167 6.859 266 2HD1 ILE 41 1HD1 ILE 41 -1.775 9.295 8.149 267 3HD1 ILE 41 3HD1 ILE 41 -1.539 10.170 6.640 268 H ASP 42 HN ASP 42 -0.838 6.119 2.423 269 HA ASP 42 HA ASP 42 -3.002 4.152 2.095 270 1HB ASP 42 HB2 ASP 42 -1.595 4.580 -0.390 271 2HB ASP 42 HB1 ASP 42 -3.322 4.662 -0.066 272 H TYR 43 HN TYR 43 -2.003 2.437 3.053 273 HA TYR 43 HA TYR 43 0.778 1.876 2.565 274 1HB TYR 43 HB2 TYR 43 -0.942 -0.217 3.774 275 2HB TYR 43 HB1 TYR 43 0.655 0.347 4.246 276 HD1 TYR 43 HD1 TYR 43 -2.940 0.812 4.660 277 HD2 TYR 43 HD2 TYR 43 0.911 2.290 5.702 278 HE1 TYR 43 HE1 TYR 43 -3.940 2.110 6.493 279 HE2 TYR 43 HE2 TYR 43 -0.079 3.591 7.536 280 HH TYR 43 HH TYR 43 -2.484 3.199 8.984 281 H SER 44 HN SER 44 -1.868 1.467 0.660 282 HA SER 44 HA SER 44 -0.578 -0.734 -0.770 283 1HB SER 44 HB2 SER 44 -3.399 -0.676 0.226 284 2HB SER 44 HB1 SER 44 -3.029 -1.504 -1.287 285 HG SER 44 HG SER 44 -1.997 -2.044 1.298 286 H TYR 45 HN TYR 45 -0.268 1.818 -1.543 287 HA TYR 45 HA TYR 45 -2.228 2.206 -3.687 288 1HB TYR 45 HB2 TYR 45 -1.488 4.486 -3.809 289 2HB TYR 45 HB1 TYR 45 -1.810 4.103 -2.135 290 HD1 TYR 45 HD1 TYR 45 1.116 2.461 -2.569 291 HD2 TYR 45 HD2 TYR 45 -0.341 6.454 -2.539 292 HE1 TYR 45 HE1 TYR 45 3.334 3.255 -1.991 293 HE2 TYR 45 HE2 TYR 45 1.899 7.266 -1.948 294 HH TYR 45 HH TYR 45 3.994 6.179 -0.736 295 H GLY 46 HN GLY 46 -0.264 0.152 -3.808 296 1HA GLY 46 HA1 GLY 46 0.667 0.494 -6.428 297 2HA GLY 46 HA2 GLY 46 1.179 -0.770 -5.324 298 H GLN 47 HN GLN 47 3.088 -0.561 -4.192 299 HA GLN 47 HA GLN 47 4.764 1.723 -5.013 300 1HB GLN 47 HB2 GLN 47 4.070 0.942 -2.408 301 2HB GLN 47 HB1 GLN 47 5.729 0.394 -2.624 302 1HG GLN 47 HG2 GLN 47 5.113 3.146 -3.512 303 2HG GLN 47 HG1 GLN 47 5.093 2.840 -1.775 304 1HE2 GLN 47 1HE2 GLN 47 6.894 4.543 -2.329 305 2HE2 GLN 47 2HE2 GLN 47 8.485 3.879 -2.433 306 H ASN 48 HN ASN 48 7.222 0.998 -4.503 307 HA ASN 48 HA ASN 48 7.742 -1.101 -6.376 308 1HB ASN 48 HB2 ASN 48 9.751 0.279 -4.591 309 2HB ASN 48 HB1 ASN 48 10.056 -0.535 -6.123 310 1HD2 ASN 48 1HD2 ASN 48 8.886 0.396 -8.019 311 2HD2 ASN 48 2HD2 ASN 48 8.775 2.118 -8.111 312 H GLN 49 HN GLN 49 9.648 -2.665 -5.706 313 HA GLN 49 HA GLN 49 8.590 -4.255 -3.522 314 1HB GLN 49 HB2 GLN 49 8.991 -5.694 -5.244 315 2HB GLN 49 HB1 GLN 49 10.317 -4.742 -5.888 316 1HG GLN 49 HG2 GLN 49 10.622 -6.310 -3.355 317 2HG GLN 49 HG1 GLN 49 10.786 -7.078 -4.927 318 1HE2 GLN 49 1HE2 GLN 49 11.810 -3.889 -5.148 319 2HE2 GLN 49 2HE2 GLN 49 13.502 -4.153 -4.945 320 H GLY 50 HN GLY 50 10.560 -1.725 -3.526 321 1HA GLY 50 HA1 GLY 50 12.109 -0.918 -2.044 322 2HA GLY 50 HA2 GLY 50 12.933 -2.453 -2.277 323 H ASN 51 HN ASN 51 9.735 -2.652 -1.059 324 HA ASN 51 HA ASN 51 8.986 -3.624 0.872 325 1HB ASN 51 HB2 ASN 51 11.537 -4.502 0.899 326 2HB ASN 51 HB1 ASN 51 11.563 -3.471 2.327 327 1HD2 ASN 51 1HD2 ASN 51 11.586 -6.465 1.818 328 2HD2 ASN 51 2HD2 ASN 51 10.378 -7.075 2.892 329 H GLU 52 HN GLU 52 8.279 -1.218 0.614 330 HA GLU 52 HA GLU 52 9.318 0.558 2.640 331 1HB GLU 52 HB2 GLU 52 7.041 0.771 0.676 332 2HB GLU 52 HB1 GLU 52 7.377 2.014 1.873 333 1HG GLU 52 HG2 GLU 52 8.386 2.721 -0.133 334 2HG GLU 52 HG1 GLU 52 9.692 2.165 0.912 335 H SER 53 HN SER 53 6.623 -1.619 2.225 336 HA SER 53 HA SER 53 6.061 -1.546 5.040 337 1HB SER 53 HB2 SER 53 4.773 0.417 3.936 338 2HB SER 53 HB1 SER 53 3.732 -0.842 3.272 339 HG SER 53 HG SER 53 2.974 -0.025 5.285 340 H CYS 54 HN CYS 54 3.908 -2.908 5.390 341 HA CYS 54 HA CYS 54 4.120 -5.273 3.647 342 1HB CYS 54 HB2 CYS 54 3.873 -6.684 5.497 343 2HB CYS 54 HB1 CYS 54 4.893 -5.398 6.132 344 H THR 55 HN THR 55 2.116 -6.619 3.602 345 HA THR 55 HA THR 55 -0.205 -4.892 3.297 346 HB THR 55 HB THR 55 0.187 -7.800 2.546 347 HG1 THR 55 HG1 THR 55 0.958 -7.053 0.759 348 1HG2 THR 55 2HG2 THR 55 -2.209 -6.298 2.765 349 2HG2 THR 55 1HG2 THR 55 -1.874 -6.576 1.053 350 3HG2 THR 55 3HG2 THR 55 -1.981 -7.942 2.164 351 H GLY 56 HN GLY 56 -1.961 -4.997 4.602 352 1HA GLY 56 HA1 GLY 56 -1.938 -7.079 6.690 353 2HA GLY 56 HA2 GLY 56 -3.384 -6.261 6.117 354 H ASN 57 HN ASN 57 -1.283 -3.829 6.179 355 HA ASN 57 HA ASN 57 -1.139 -3.367 9.020 356 1HB ASN 57 HB2 ASN 57 -0.537 -0.954 8.125 357 2HB ASN 57 HB1 ASN 57 0.621 -2.275 8.016 358 1HD2 ASN 57 1HD2 ASN 57 1.723 -1.551 6.276 359 2HD2 ASN 57 2HD2 ASN 57 1.045 -1.422 4.692 360 H GLY 58 HN GLY 58 -3.678 -3.440 7.060 361 1HA GLY 58 HA1 GLY 58 -5.369 -1.557 6.873 362 2HA GLY 58 HA2 GLY 58 -5.100 -1.377 8.603 363 H SER 59 HN SER 59 -4.729 -4.490 8.495 364 HA SER 59 HA SER 59 -7.443 -5.065 9.247 365 1HB SER 59 HB2 SER 59 -7.501 -5.276 6.759 366 2HB SER 59 HB1 SER 59 -6.296 -6.557 6.880 367 HG SER 59 HG SER 59 -8.961 -6.545 7.819 368 H TYR 60 HN TYR 60 -4.632 -6.969 8.075 369 HA TYR 60 HA TYR 60 -4.540 -8.255 10.726 370 1HB TYR 60 HB2 TYR 60 -3.696 -10.074 8.638 371 2HB TYR 60 HB1 TYR 60 -4.900 -10.303 9.899 372 HD1 TYR 60 HD1 TYR 60 -7.029 -10.811 9.186 373 HD2 TYR 60 HD2 TYR 60 -4.565 -8.405 6.688 374 HE1 TYR 60 HE1 TYR 60 -8.809 -10.759 7.490 375 HE2 TYR 60 HE2 TYR 60 -6.337 -8.347 4.985 376 HH TYR 60 HH TYR 60 -8.717 -8.645 4.791 377 HA PRO 61 HA PRO 61 -0.180 -7.680 10.960 378 1HB PRO 61 HB2 PRO 61 0.733 -10.254 11.422 379 2HB PRO 61 HB1 PRO 61 0.085 -9.174 12.661 380 1HG PRO 61 HG2 PRO 61 -1.299 -11.354 11.136 381 2HG PRO 61 HG1 PRO 61 -1.392 -10.965 12.867 382 1HD PRO 61 HD2 PRO 61 -3.343 -10.225 11.223 383 2HD PRO 61 HD1 PRO 61 -2.778 -9.114 12.494 384 H CYS 62 HN CYS 62 1.919 -8.259 9.981 385 HA CYS 62 HA CYS 62 1.617 -8.795 7.171 386 1HB CYS 62 HB2 CYS 62 4.308 -8.695 8.482 387 2HB CYS 62 HB1 CYS 62 3.812 -8.082 6.910 388 H CYS 63 HN CYS 63 2.833 -10.472 6.026 389 HA CYS 63 HA CYS 63 2.791 -12.959 7.546 390 1HB CYS 63 HB2 CYS 63 2.214 -12.201 4.816 391 2HB CYS 63 HB1 CYS 63 3.365 -13.529 4.857 392 H ASN 64 HN ASN 64 4.804 -11.871 4.864 393 HA ASN 64 HA ASN 64 7.175 -11.372 5.189 394 1HB ASN 64 HB2 ASN 64 7.297 -12.309 7.472 395 2HB ASN 64 HB1 ASN 64 7.152 -13.934 6.807 396 1HD2 ASN 64 1HD2 ASN 64 8.900 -14.888 5.852 397 2HD2 ASN 64 2HD2 ASN 64 10.489 -14.212 5.894 398 H THR 65 HN THR 65 5.294 -14.107 4.322 399 HA THR 65 HA THR 65 7.315 -15.270 2.609 400 HB THR 65 HB THR 65 5.616 -16.651 3.818 401 HG1 THR 65 HG1 THR 65 6.171 -17.914 2.249 402 1HG2 THR 65 2HG2 THR 65 3.717 -14.988 3.302 403 2HG2 THR 65 1HG2 THR 65 3.611 -15.833 1.757 404 3HG2 THR 65 3HG2 THR 65 3.372 -16.719 3.263 405 H CYS 66 HN CYS 66 7.320 -15.224 0.367 406 HA CYS 66 HA CYS 66 5.760 -13.048 -0.812 407 1HB CYS 66 HB2 CYS 66 8.040 -14.586 -2.071 408 2HB CYS 66 HB1 CYS 66 7.338 -13.074 -2.638 409 H GLN 67 HN GLN 67 4.490 -15.480 -0.135 410 HA GLN 67 HA GLN 67 3.768 -16.506 -2.795 411 1HB GLN 67 HB2 GLN 67 4.621 -18.413 -1.840 412 2HB GLN 67 HB1 GLN 67 4.267 -17.885 -0.205 413 1HG GLN 67 HG2 GLN 67 1.840 -18.400 -1.692 414 2HG GLN 67 HG1 GLN 67 2.912 -19.797 -1.690 415 1HE2 GLN 67 1HE2 GLN 67 2.645 -17.370 0.843 416 2HE2 GLN 67 2HE2 GLN 67 2.031 -18.437 2.055 417 H ALA 68 HN ALA 68 2.122 -15.045 -3.125 418 HA ALA 68 HA ALA 68 0.080 -14.641 -1.136 419 1HB ALA 68 HB2 ALA 68 0.362 -12.692 -2.265 420 2HB ALA 68 HB3 ALA 68 -0.949 -13.387 -3.220 421 3HB ALA 68 HB1 ALA 68 0.716 -13.494 -3.796 422 H THR 69 HN THR 69 -1.356 -16.154 -0.815 423 HA THR 69 HA THR 69 -2.162 -17.933 -2.959 424 HB THR 69 HB THR 69 -2.054 -19.283 -1.147 425 HG1 THR 69 HG1 THR 69 -4.093 -19.502 -0.132 426 1HG2 THR 69 1HG2 THR 69 -2.851 -16.997 0.633 427 2HG2 THR 69 3HG2 THR 69 -2.433 -18.625 1.169 428 3HG2 THR 69 2HG2 THR 69 -1.214 -17.613 0.387 429 H TYR 70 HN TYR 70 -3.323 -15.090 -1.387 430 HA TYR 70 HA TYR 70 -5.600 -15.061 -3.167 431 1HB TYR 70 HB2 TYR 70 -7.296 -15.203 -1.649 432 2HB TYR 70 HB1 TYR 70 -6.114 -16.179 -0.789 433 HD1 TYR 70 HD1 TYR 70 -7.269 -12.636 -1.071 434 HD2 TYR 70 HD2 TYR 70 -5.650 -15.677 1.428 435 HE1 TYR 70 HE1 TYR 70 -7.473 -11.144 0.865 436 HE2 TYR 70 HE2 TYR 70 -5.846 -14.187 3.374 437 HH TYR 70 HH TYR 70 -5.956 -11.267 3.455 438 H THR 71 HN THR 71 -6.202 -13.030 -3.733 439 HA THR 71 HA THR 71 -4.837 -10.812 -2.355 440 HB THR 71 HB THR 71 -5.426 -11.170 -5.294 441 HG1 THR 71 HG1 THR 71 -2.923 -10.415 -4.448 442 1HG2 THR 71 2HG2 THR 71 -5.877 -8.826 -4.516 443 2HG2 THR 71 1HG2 THR 71 -4.176 -8.737 -4.052 444 3HG2 THR 71 3HG2 THR 71 -4.617 -8.994 -5.741 445 H ASP 72 HN ASP 72 -6.034 -9.103 -1.751 446 HA ASP 72 HA ASP 72 -8.895 -9.191 -2.420 447 1HB ASP 72 HB2 ASP 72 -7.765 -9.345 0.082 448 2HB ASP 72 HB1 ASP 72 -8.151 -7.632 -0.046 449 H GLY 73 HN GLY 73 -9.635 -6.713 -1.455 450 1HA GLY 73 HA1 GLY 73 -9.935 -4.615 -2.364 451 2HA GLY 73 HA2 GLY 73 -8.796 -5.046 -3.629 452 H ASP 74 HN ASP 74 -7.003 -5.756 -1.058 453 HA ASP 74 HA ASP 74 -5.937 -3.018 -0.915 454 1HB ASP 74 HB2 ASP 74 -7.186 -3.540 1.162 455 2HB ASP 74 HB1 ASP 74 -6.125 -4.918 1.427 456 H GLY 75 HN GLY 75 -5.291 -5.802 -2.212 457 1HA GLY 75 HA1 GLY 75 -2.468 -5.843 -1.345 458 2HA GLY 75 HA2 GLY 75 -2.933 -5.922 -3.038 459 H ASP 76 HN ASP 76 -1.332 -7.860 -2.217 460 HA ASP 76 HA ASP 76 -2.973 -10.205 -2.517 461 1HB ASP 76 HB2 ASP 76 -0.040 -10.380 -1.950 462 2HB ASP 76 HB1 ASP 76 -1.031 -11.341 -3.041 463 H TRP 77 HN TRP 77 -2.384 -12.183 -1.126 464 HA TRP 77 HA TRP 77 -1.733 -11.588 1.624 465 1HB TRP 77 HB2 TRP 77 -4.488 -12.627 0.945 466 2HB TRP 77 HB1 TRP 77 -3.852 -12.310 2.557 467 HD1 TRP 77 HD1 TRP 77 -5.337 -10.538 -0.478 468 HE1 TRP 77 HE1 TRP 77 -5.847 -8.101 0.150 469 HE3 TRP 77 HE3 TRP 77 -3.061 -10.382 4.099 470 HZ2 TRP 77 HZ2 TRP 77 -5.353 -6.348 2.290 471 HZ3 TRP 77 HZ3 TRP 77 -3.125 -8.276 5.370 472 HH2 TRP 77 HH2 TRP 77 -4.250 -6.299 4.478 473 H ALA 78 HN ALA 78 -1.313 -13.398 2.887 474 HA ALA 78 HA ALA 78 -1.560 -16.021 1.660 475 1HB ALA 78 HB3 ALA 78 1.115 -15.055 2.635 476 2HB ALA 78 HB2 ALA 78 0.747 -16.577 1.823 477 3HB ALA 78 HB1 ALA 78 0.629 -15.056 0.938 478 H PHE 79 HN PHE 79 -0.875 -17.771 3.190 479 HA PHE 79 HA PHE 79 -1.670 -17.018 5.914 480 1HB PHE 79 HB2 PHE 79 -2.900 -18.824 4.510 481 2HB PHE 79 HB1 PHE 79 -1.518 -19.844 4.898 482 HD1 PHE 79 HD1 PHE 79 -2.260 -21.422 6.407 483 HD2 PHE 79 HD2 PHE 79 -3.348 -17.346 6.964 484 HE1 PHE 79 HE1 PHE 79 -3.291 -21.995 8.566 485 HE2 PHE 79 HE2 PHE 79 -4.380 -17.912 9.125 486 HZ PHE 79 HZ PHE 79 -4.352 -20.239 9.928 487 H GLU 80 HN GLU 80 0.065 -16.586 7.126 488 HA GLU 80 HA GLU 80 2.314 -18.487 7.034 489 1HB GLU 80 HB2 GLU 80 2.869 -16.218 6.149 490 2HB GLU 80 HB1 GLU 80 2.481 -15.555 7.730 491 1HG GLU 80 HG2 GLU 80 4.290 -17.657 8.154 492 2HG GLU 80 HG1 GLU 80 4.913 -16.700 6.807 493 H ASN 81 HN ASN 81 3.231 -19.126 8.977 494 HA ASN 81 HA ASN 81 3.124 -19.835 11.143 495 1HB ASN 81 HB2 ASN 81 3.192 -16.940 11.113 496 2HB ASN 81 HB1 ASN 81 2.358 -17.531 12.548 497 1HD2 ASN 81 1HD2 ASN 81 5.152 -16.391 11.747 498 2HD2 ASN 81 2HD2 ASN 81 6.230 -17.379 12.665 499 H GLY 82 HN GLY 82 0.624 -19.903 9.548 500 1HA GLY 82 HA1 GLY 82 -1.127 -20.706 11.643 501 2HA GLY 82 HA2 GLY 82 -1.509 -20.663 9.929 502 H ASN 83 HN ASN 83 -0.708 -17.714 9.913 503 HA ASN 83 HA ASN 83 -3.284 -16.760 10.975 504 1HB ASN 83 HB2 ASN 83 -2.180 -14.636 11.652 505 2HB ASN 83 HB1 ASN 83 -1.621 -16.033 12.566 506 1HD2 ASN 83 1HD2 ASN 83 0.483 -16.581 12.510 507 2HD2 ASN 83 2HD2 ASN 83 1.688 -15.727 11.614 508 H TRP 84 HN TRP 84 -4.423 -15.440 9.683 509 HA TRP 84 HA TRP 84 -3.681 -15.200 6.947 510 1HB TRP 84 HB2 TRP 84 -5.945 -13.974 8.531 511 2HB TRP 84 HB1 TRP 84 -5.771 -13.809 6.787 512 HD1 TRP 84 HD1 TRP 84 -7.184 -16.069 9.385 513 HE1 TRP 84 HE1 TRP 84 -8.102 -18.211 8.291 514 HE3 TRP 84 HE3 TRP 84 -5.174 -15.523 4.717 515 HZ2 TRP 84 HZ2 TRP 84 -7.990 -19.497 5.780 516 HZ3 TRP 84 HZ3 TRP 84 -5.627 -17.253 3.027 517 HH2 TRP 84 HH2 TRP 84 -7.005 -19.199 3.550 518 H CYS 85 HN CYS 85 -1.843 -14.022 6.715 519 HA CYS 85 HA CYS 85 -1.936 -11.202 7.551 520 1HB CYS 85 HB2 CYS 85 0.669 -11.575 6.940 521 2HB CYS 85 HB1 CYS 85 0.005 -11.778 8.556 522 H GLY 86 HN GLY 86 -0.309 -9.891 6.051 523 1HA GLY 86 HA1 GLY 86 -0.828 -8.815 3.947 524 2HA GLY 86 HA2 GLY 86 -1.230 -10.397 3.296 525 H ILE 87 HN ILE 87 0.202 -9.904 1.536 526 HA ILE 87 HA ILE 87 2.872 -10.850 2.041 527 HB ILE 87 HB ILE 87 1.119 -10.649 -0.245 528 1HG1 ILE 87 2HG1 ILE 87 2.364 -12.538 -1.015 529 2HG1 ILE 87 1HG1 ILE 87 3.740 -12.126 0.001 530 1HG2 ILE 87 2HG2 ILE 87 3.937 -9.676 -0.657 531 2HG2 ILE 87 1HG2 ILE 87 2.908 -10.284 -1.952 532 3HG2 ILE 87 3HG2 ILE 87 2.438 -8.838 -1.057 533 1HD1 ILE 87 3HD1 ILE 87 1.046 -12.939 1.055 534 2HD1 ILE 87 2HD1 ILE 87 2.401 -14.041 0.808 535 3HD1 ILE 87 1HD1 ILE 87 2.536 -12.726 1.973 536 H LYS 88 HN LYS 88 4.732 -9.732 2.060 537 HA LYS 88 HA LYS 88 4.749 -6.982 2.586 538 1HB LYS 88 HB2 LYS 88 7.044 -8.704 1.638 539 2HB LYS 88 HB1 LYS 88 7.184 -7.143 2.433 540 1HG LYS 88 HG2 LYS 88 6.121 -9.693 3.626 541 2HG LYS 88 HG1 LYS 88 7.637 -8.879 4.020 542 1HD LYS 88 HD2 LYS 88 5.835 -6.887 4.440 543 2HD LYS 88 HD1 LYS 88 4.895 -8.305 4.905 544 1HE LYS 88 HE2 LYS 88 7.493 -7.320 6.047 545 2HE LYS 88 HE1 LYS 88 5.960 -7.586 6.876 546 1HZ LYS 88 HZ2 LYS 88 6.269 -10.004 6.316 547 2HZ LYS 88 HZ1 LYS 88 7.853 -9.625 5.862 548 3HZ LYS 88 HZ3 LYS 88 7.347 -9.374 7.457 549 H ASN 89 HN ASN 89 5.339 -5.198 1.388 550 HA ASN 89 HA ASN 89 4.532 -5.066 -1.275 551 1HB ASN 89 HB2 ASN 89 5.878 -3.286 0.639 552 2HB ASN 89 HB1 ASN 89 6.263 -2.946 -1.045 553 1HD2 ASN 89 1HD2 ASN 89 4.965 -1.083 0.400 554 2HD2 ASN 89 2HD2 ASN 89 3.321 -0.951 -0.117 555 H SER 90 HN SER 90 7.520 -6.080 0.094 556 HA SER 90 HA SER 90 9.111 -5.676 -2.265 557 1HB SER 90 HB2 SER 90 10.360 -5.596 -0.287 558 2HB SER 90 HB1 SER 90 9.542 -7.001 0.397 559 HG SER 90 HG SER 90 10.890 -8.280 -0.613 560 H CYS 91 HN CYS 91 7.006 -8.130 -1.092 561 HA CYS 91 HA CYS 91 8.150 -10.200 -2.778 562 1HB CYS 91 HB2 CYS 91 5.785 -10.195 -0.901 563 2HB CYS 91 HB1 CYS 91 6.286 -11.591 -1.842 564 H LYS 92 HN LYS 92 7.447 -8.232 -4.421 565 HA LYS 92 HA LYS 92 4.835 -8.999 -5.529 566 1HB LYS 92 HB2 LYS 92 6.439 -6.488 -6.022 567 2HB LYS 92 HB1 LYS 92 4.855 -6.844 -6.697 568 1HG LYS 92 HG2 LYS 92 3.831 -6.737 -4.548 569 2HG LYS 92 HG1 LYS 92 5.400 -6.641 -3.746 570 1HD LYS 92 HD2 LYS 92 4.613 -4.434 -3.759 571 2HD LYS 92 HD1 LYS 92 5.754 -4.499 -5.103 572 1HE LYS 92 HE2 LYS 92 4.086 -4.432 -6.697 573 2HE LYS 92 HE1 LYS 92 2.865 -5.063 -5.593 574 1HZ LYS 92 HZ3 LYS 92 4.055 -2.440 -5.032 575 2HZ LYS 92 HZ2 LYS 92 2.891 -2.555 -6.254 576 3HZ LYS 92 HZ1 LYS 92 2.505 -3.017 -4.672 577 H GLN 93 HN GLN 93 8.046 -7.937 -6.609 578 HA GLN 93 HA GLN 93 8.136 -10.082 -8.544 579 1HB GLN 93 HB2 GLN 93 8.033 -7.187 -9.390 580 2HB GLN 93 HB1 GLN 93 8.652 -8.463 -10.426 581 1HG GLN 93 HG2 GLN 93 5.871 -8.371 -9.282 582 2HG GLN 93 HG1 GLN 93 6.317 -7.865 -10.910 583 1HE2 GLN 93 1HE2 GLN 93 4.515 -9.592 -11.120 584 2HE2 GLN 93 2HE2 GLN 93 5.074 -11.200 -11.413 585 H GLN 94 HN GLN 94 10.059 -7.385 -9.395 586 HA GLN 94 HA GLN 94 12.200 -7.855 -7.575 587 1HB GLN 94 HB2 GLN 94 12.385 -8.962 -10.367 588 2HB GLN 94 HB1 GLN 94 13.813 -8.568 -9.423 589 1HG GLN 94 HG2 GLN 94 12.610 -10.092 -7.644 590 2HG GLN 94 HG1 GLN 94 11.837 -10.744 -9.088 591 1HE2 GLN 94 1HE2 GLN 94 12.924 -12.151 -10.316 592 2HE2 GLN 94 2HE2 GLN 94 14.575 -12.603 -10.082 593 HA PRO 95 HA PRO 95 13.663 -4.596 -10.884 594 1HB PRO 95 HB2 PRO 95 11.867 -4.079 -12.882 595 2HB PRO 95 HB1 PRO 95 13.168 -5.268 -13.024 596 1HG PRO 95 HG2 PRO 95 10.294 -5.709 -12.261 597 2HG PRO 95 HG1 PRO 95 11.274 -6.595 -13.447 598 1HD PRO 95 HD2 PRO 95 10.880 -7.594 -11.043 599 2HD PRO 95 HD1 PRO 95 12.489 -7.686 -11.793 600 H GLN 96 HN GLN 96 12.539 -3.968 -8.591 601 HA GLN 96 HA GLN 96 11.177 -1.491 -9.140 602 1HB GLN 96 HB2 GLN 96 9.801 -3.676 -7.570 603 2HB GLN 96 HB1 GLN 96 9.285 -1.995 -7.582 604 1HG GLN 96 HG2 GLN 96 8.978 -2.167 -10.038 605 2HG GLN 96 HG1 GLN 96 9.354 -3.885 -9.922 606 1HE2 GLN 96 1HE2 GLN 96 8.016 -4.955 -8.060 607 2HE2 GLN 96 2HE2 GLN 96 6.320 -4.629 -8.120 608 H ASN 97 HN ASN 97 13.269 -0.885 -8.229 609 HA ASN 97 HA ASN 97 14.568 -0.068 -6.551 610 1HB ASN 97 HB2 ASN 97 12.064 0.635 -5.878 611 2HB ASN 97 HB1 ASN 97 12.449 -0.384 -4.495 612 1HD2 ASN 97 1HD2 ASN 97 14.978 0.092 -3.925 613 2HD2 ASN 97 2HD2 ASN 97 15.252 1.760 -3.567 614 H ASN 98 HN ASN 98 15.820 -2.031 -6.657 615 HA ASN 98 HA ASN 98 15.380 -3.847 -4.381 616 1HB ASN 98 HB2 ASN 98 15.424 -4.773 -6.766 617 2HB ASN 98 HB1 ASN 98 17.148 -4.414 -6.756 618 1HD2 ASN 98 1HD2 ASN 98 18.522 -5.618 -5.480 619 2HD2 ASN 98 2HD2 ASN 98 18.042 -7.105 -4.742 620 H ASN 99 HN ASN 99 16.876 -4.017 -2.817 621 HA ASN 99 HA ASN 99 19.622 -3.523 -3.097 622 1HB ASN 99 HB2 ASN 99 18.515 -1.156 -3.291 623 2HB ASN 99 HB1 ASN 99 18.363 -1.291 -1.541 624 1HD2 ASN 99 1HD2 ASN 99 20.263 -1.480 -0.284 625 2HD2 ASN 99 2HD2 ASN 99 21.781 -0.914 -0.882 626 H GLN 100 HN GLN 100 20.443 -4.810 -1.595 627 HA GLN 100 HA GLN 100 19.329 -4.749 1.111 628 1HB GLN 100 HB2 GLN 100 18.285 -6.658 -0.046 629 2HB GLN 100 HB1 GLN 100 19.879 -7.294 -0.427 630 1HG GLN 100 HG2 GLN 100 19.656 -8.489 1.434 631 2HG GLN 100 HG1 GLN 100 20.016 -6.987 2.284 632 1HE2 GLN 100 1HE2 GLN 100 17.683 -5.593 1.898 633 2HE2 GLN 100 2HE2 GLN 100 16.391 -6.390 2.722 No H/Q in entry = 633 Start of MODEL 3 1 H1 ALA 1 HT3 ALA 1 5.924 6.808 -8.575 2 H2 ALA 1 HT2 ALA 1 6.536 5.391 -7.827 3 H3 ALA 1 HT1 ALA 1 4.861 5.525 -8.175 4 HA ALA 1 HA ALA 1 5.221 5.858 -5.882 5 1HB ALA 1 HB1 ALA 1 6.841 7.166 -4.990 6 2HB ALA 1 HB2 ALA 1 6.769 8.343 -6.301 7 3HB ALA 1 HB3 ALA 1 7.629 6.820 -6.529 8 H MET 2 HN MET 2 3.155 6.347 -7.505 9 HA MET 2 HA MET 2 1.893 8.571 -6.288 10 1HB MET 2 HB2 MET 2 3.450 9.401 -8.331 11 2HB MET 2 HB1 MET 2 1.959 9.066 -9.202 12 1HG MET 2 HG2 MET 2 0.901 10.833 -8.331 13 2HG MET 2 HG1 MET 2 1.600 10.592 -6.731 14 1HE MET 2 HE2 MET 2 3.700 11.131 -6.000 15 2HE MET 2 HE1 MET 2 5.017 11.255 -7.166 16 3HE MET 2 HE3 MET 2 4.428 12.700 -6.346 17 H ALA 3 HN ALA 3 0.346 6.962 -5.835 18 HA ALA 3 HA ALA 3 -1.680 6.710 -7.857 19 1HB ALA 3 HB3 ALA 3 -1.599 4.507 -8.351 20 2HB ALA 3 HB2 ALA 3 0.111 4.736 -8.000 21 3HB ALA 3 HB1 ALA 3 -0.958 4.057 -6.772 22 H CYS 4 HN CYS 4 -1.392 7.870 -5.218 23 HA CYS 4 HA CYS 4 -2.790 6.257 -3.321 24 1HB CYS 4 HB2 CYS 4 -2.983 8.442 -2.059 25 2HB CYS 4 HB1 CYS 4 -1.345 7.925 -2.438 26 H TRP 5 HN TRP 5 -4.863 6.815 -2.377 27 HA TRP 5 HA TRP 5 -6.827 7.362 -4.438 28 1HB TRP 5 HB2 TRP 5 -8.449 6.824 -2.539 29 2HB TRP 5 HB1 TRP 5 -7.383 5.520 -3.054 30 HD1 TRP 5 HD1 TRP 5 -5.680 4.584 -1.298 31 HE1 TRP 5 HE1 TRP 5 -5.302 4.991 1.217 32 HE3 TRP 5 HE3 TRP 5 -8.589 8.710 -0.740 33 HZ2 TRP 5 HZ2 TRP 5 -6.150 6.847 3.182 34 HZ3 TRP 5 HZ3 TRP 5 -8.767 9.755 1.480 35 HH2 TRP 5 HH2 TRP 5 -7.570 8.842 3.400 36 H ALA 6 HN ALA 6 -5.367 8.952 -1.732 37 HA ALA 6 HA ALA 6 -7.331 10.885 -1.172 38 1HB ALA 6 HB2 ALA 6 -4.399 10.656 -0.694 39 2HB ALA 6 HB1 ALA 6 -5.190 12.211 -0.425 40 3HB ALA 6 HB3 ALA 6 -5.725 10.783 0.462 41 H GLN 7 HN GLN 7 -4.897 10.667 -3.668 42 HA GLN 7 HA GLN 7 -4.948 13.392 -4.457 43 1HB GLN 7 HB2 GLN 7 -3.796 12.633 -6.473 44 2HB GLN 7 HB1 GLN 7 -3.094 11.900 -5.039 45 1HG GLN 7 HG2 GLN 7 -3.381 9.898 -5.920 46 2HG GLN 7 HG1 GLN 7 -5.123 10.167 -5.967 47 1HE2 GLN 7 1HE2 GLN 7 -2.138 10.747 -7.760 48 2HE2 GLN 7 2HE2 GLN 7 -2.858 10.695 -9.330 49 H SER 8 HN SER 8 -7.018 10.691 -5.086 50 HA SER 8 HA SER 8 -8.182 11.373 -7.501 51 1HB SER 8 HB2 SER 8 -9.584 10.200 -5.087 52 2HB SER 8 HB1 SER 8 -10.142 10.108 -6.757 53 HG SER 8 HG SER 8 -7.819 8.931 -5.636 54 H GLN 9 HN GLN 9 -8.489 12.899 -4.409 55 HA GLN 9 HA GLN 9 -10.752 14.514 -5.329 56 1HB GLN 9 HB2 GLN 9 -9.470 14.568 -2.598 57 2HB GLN 9 HB1 GLN 9 -11.050 15.186 -3.057 58 1HG GLN 9 HG2 GLN 9 -11.395 12.631 -3.731 59 2HG GLN 9 HG1 GLN 9 -10.189 12.424 -2.462 60 1HE2 GLN 9 1HE2 GLN 9 -10.832 12.474 -0.411 61 2HE2 GLN 9 2HE2 GLN 9 -12.411 12.921 0.131 62 H GLY 10 HN GLY 10 -7.350 14.698 -4.573 63 1HA GLY 10 HA1 GLY 10 -7.382 17.618 -4.815 64 2HA GLY 10 HA2 GLY 10 -6.499 16.708 -6.031 65 H TYR 11 HN TYR 11 -6.520 15.387 -2.855 66 HA TYR 11 HA TYR 11 -4.311 16.782 -1.771 67 1HB TYR 11 HB2 TYR 11 -5.656 14.171 -1.153 68 2HB TYR 11 HB1 TYR 11 -4.154 14.598 -0.344 69 HD1 TYR 11 HD1 TYR 11 -4.076 16.669 1.078 70 HD2 TYR 11 HD2 TYR 11 -7.715 15.135 -0.506 71 HE1 TYR 11 HE1 TYR 11 -5.340 17.984 2.724 72 HE2 TYR 11 HE2 TYR 11 -8.990 16.449 1.133 73 HH TYR 11 HH TYR 11 -8.094 17.508 3.739 74 H ASN 12 HN ASN 12 -2.421 15.077 -0.975 75 HA ASN 12 HA ASN 12 -1.329 13.902 -3.445 76 1HB ASN 12 HB2 ASN 12 -0.240 16.074 -2.845 77 2HB ASN 12 HB1 ASN 12 0.272 15.348 -1.324 78 1HD2 ASN 12 1HD2 ASN 12 2.437 15.502 -1.719 79 2HD2 ASN 12 2HD2 ASN 12 3.249 14.575 -2.931 80 H CYS 13 HN CYS 13 0.306 12.213 -3.065 81 HA CYS 13 HA CYS 13 -0.585 10.406 -1.029 82 1HB CYS 13 HB2 CYS 13 1.901 9.970 -2.650 83 2HB CYS 13 HB1 CYS 13 0.731 8.791 -2.070 84 H CYS 14 HN CYS 14 0.514 9.664 0.763 85 HA CYS 14 HA CYS 14 2.643 11.434 1.724 86 1HB CYS 14 HB2 CYS 14 0.348 10.331 2.944 87 2HB CYS 14 HB1 CYS 14 1.732 9.546 3.694 88 H ASN 15 HN ASN 15 4.622 10.685 2.354 89 HA ASN 15 HA ASN 15 5.447 8.154 1.279 90 1HB ASN 15 HB2 ASN 15 7.684 8.817 1.979 91 2HB ASN 15 HB1 ASN 15 6.883 10.152 1.157 92 1HD2 ASN 15 1HD2 ASN 15 8.887 9.534 3.553 93 2HD2 ASN 15 2HD2 ASN 15 8.482 10.796 4.662 94 H ASN 16 HN ASN 16 6.710 6.592 2.585 95 HA ASN 16 HA ASN 16 6.358 4.901 4.118 96 1HB ASN 16 HB2 ASN 16 7.463 5.401 6.201 97 2HB ASN 16 HB1 ASN 16 8.310 6.211 4.890 98 1HD2 ASN 16 1HD2 ASN 16 8.694 8.301 5.079 99 2HD2 ASN 16 2HD2 ASN 16 8.005 9.349 6.267 100 HA PRO 17 HA PRO 17 2.222 6.679 5.706 101 1HB PRO 17 HB2 PRO 17 0.699 4.815 4.368 102 2HB PRO 17 HB1 PRO 17 1.038 6.443 3.769 103 1HG PRO 17 HG2 PRO 17 2.378 3.855 3.086 104 2HG PRO 17 HG1 PRO 17 1.904 5.188 2.016 105 1HD PRO 17 HD2 PRO 17 4.445 4.870 2.798 106 2HD PRO 17 HD1 PRO 17 3.729 6.486 2.623 107 H SER 18 HN SER 18 3.976 3.745 5.605 108 HA SER 18 HA SER 18 2.240 2.132 7.176 109 1HB SER 18 HB2 SER 18 5.220 1.936 6.682 110 2HB SER 18 HB1 SER 18 4.255 0.698 7.487 111 HG SER 18 HG SER 18 4.321 1.446 4.799 112 H SER 19 HN SER 19 4.118 4.825 7.958 113 HA SER 19 HA SER 19 3.823 4.217 10.808 114 1HB SER 19 HB2 SER 19 6.262 3.955 9.682 115 2HB SER 19 HB1 SER 19 6.295 5.675 10.067 116 HG SER 19 HG SER 19 7.026 4.111 11.740 117 H THR 20 HN THR 20 2.824 6.114 8.481 118 HA THR 20 HA THR 20 3.370 8.729 9.454 119 HB THR 20 HB THR 20 1.422 7.573 7.467 120 HG1 THR 20 HG1 THR 20 3.544 7.698 6.764 121 1HG2 THR 20 2HG2 THR 20 0.361 9.529 8.412 122 2HG2 THR 20 1HG2 THR 20 1.810 10.480 8.095 123 3HG2 THR 20 3HG2 THR 20 0.881 9.816 6.753 124 H LYS 21 HN LYS 21 2.400 9.767 11.077 125 HA LYS 21 HA LYS 21 0.330 8.523 12.598 126 1HB LYS 21 HB2 LYS 21 2.055 9.942 13.639 127 2HB LYS 21 HB1 LYS 21 1.433 11.336 12.765 128 1HG LYS 21 HG2 LYS 21 -0.442 9.811 14.494 129 2HG LYS 21 HG1 LYS 21 0.758 10.854 15.262 130 1HD LYS 21 HD2 LYS 21 -0.143 12.539 13.387 131 2HD LYS 21 HD1 LYS 21 -1.591 11.555 13.602 132 1HE LYS 21 HE2 LYS 21 -2.077 12.783 15.390 133 2HE LYS 21 HE1 LYS 21 -0.665 12.089 16.185 134 1HZ LYS 21 HZ2 LYS 21 -0.630 14.539 14.506 135 2HZ LYS 21 HZ1 LYS 21 -0.656 14.525 16.197 136 3HZ LYS 21 HZ3 LYS 21 0.676 13.895 15.367 137 H VAL 22 HN VAL 22 -1.731 8.473 11.959 138 HA VAL 22 HA VAL 22 -2.767 10.506 10.189 139 HB VAL 22 HB VAL 22 -3.868 7.879 11.182 140 1HG1 VAL 22 2HG1 VAL 22 -5.293 10.172 10.079 141 2HG1 VAL 22 1HG1 VAL 22 -5.571 8.676 9.192 142 3HG1 VAL 22 3HG1 VAL 22 -5.909 8.751 10.920 143 1HG2 VAL 22 2HG2 VAL 22 -2.094 8.187 9.279 144 2HG2 VAL 22 1HG2 VAL 22 -3.420 7.039 9.097 145 3HG2 VAL 22 3HG2 VAL 22 -3.510 8.621 8.322 146 H GLU 23 HN GLU 23 -3.101 12.301 11.382 147 HA GLU 23 HA GLU 23 -4.452 12.175 13.936 148 1HB GLU 23 HB2 GLU 23 -4.421 14.789 13.489 149 2HB GLU 23 HB1 GLU 23 -2.981 13.936 14.024 150 1HG GLU 23 HG2 GLU 23 -2.061 13.938 11.839 151 2HG GLU 23 HG1 GLU 23 -3.582 14.479 11.130 152 H TYR 24 HN TYR 24 -5.403 11.968 10.789 153 HA TYR 24 HA TYR 24 -8.101 12.913 11.492 154 1HB TYR 24 HB2 TYR 24 -6.787 14.584 10.053 155 2HB TYR 24 HB1 TYR 24 -6.977 13.415 8.751 156 HD1 TYR 24 HD1 TYR 24 -8.394 16.221 10.309 157 HD2 TYR 24 HD2 TYR 24 -9.456 12.590 8.363 158 HE1 TYR 24 HE1 TYR 24 -10.623 17.141 9.820 159 HE2 TYR 24 HE2 TYR 24 -11.687 13.497 7.867 160 HH TYR 24 HH TYR 24 -12.810 15.612 7.660 161 H THR 25 HN THR 25 -9.714 11.599 10.922 162 HA THR 25 HA THR 25 -9.426 9.729 8.735 163 HB THR 25 HB THR 25 -9.957 8.682 11.523 164 HG1 THR 25 HG1 THR 25 -7.680 8.266 9.890 165 1HG2 THR 25 3HG2 THR 25 -10.506 7.573 8.979 166 2HG2 THR 25 2HG2 THR 25 -9.163 6.675 9.692 167 3HG2 THR 25 1HG2 THR 25 -10.685 6.830 10.570 168 H ASP 26 HN ASP 26 -11.289 9.671 7.689 169 HA ASP 26 HA ASP 26 -13.795 9.877 9.181 170 1HB ASP 26 HB2 ASP 26 -14.673 11.612 7.735 171 2HB ASP 26 HB1 ASP 26 -13.162 12.170 8.441 172 H ALA 27 HN ALA 27 -15.308 10.196 6.657 173 HA ALA 27 HA ALA 27 -15.453 7.417 5.974 174 1HB ALA 27 HB2 ALA 27 -17.554 8.253 5.883 175 2HB ALA 27 HB1 ALA 27 -17.016 9.852 5.369 176 3HB ALA 27 HB3 ALA 27 -17.113 8.535 4.199 177 H SER 28 HN SER 28 -13.330 9.716 4.987 178 HA SER 28 HA SER 28 -13.255 8.894 2.189 179 1HB SER 28 HB2 SER 28 -12.849 11.323 3.222 180 2HB SER 28 HB1 SER 28 -11.197 10.719 3.338 181 HG SER 28 HG SER 28 -12.776 11.172 1.061 182 H GLY 29 HN GLY 29 -11.552 8.505 5.207 183 1HA GLY 29 HA1 GLY 29 -9.421 6.993 3.874 184 2HA GLY 29 HA2 GLY 29 -10.426 6.168 5.057 185 H GLN 30 HN GLN 30 -7.500 7.383 4.736 186 HA GLN 30 HA GLN 30 -7.384 8.464 7.472 187 1HB GLN 30 HB2 GLN 30 -5.328 6.690 6.144 188 2HB GLN 30 HB1 GLN 30 -5.268 7.303 7.787 189 1HG GLN 30 HG2 GLN 30 -5.952 5.048 7.915 190 2HG GLN 30 HG1 GLN 30 -7.374 6.035 8.246 191 1HE2 GLN 30 1HE2 GLN 30 -5.800 5.063 5.219 192 2HE2 GLN 30 2HE2 GLN 30 -7.198 4.322 4.529 193 H TRP 31 HN TRP 31 -5.922 10.127 7.861 194 HA TRP 31 HA TRP 31 -4.302 11.095 5.634 195 1HB TRP 31 HB2 TRP 31 -6.080 13.017 7.121 196 2HB TRP 31 HB1 TRP 31 -5.185 13.289 5.632 197 HD1 TRP 31 HD1 TRP 31 -8.253 11.291 6.890 198 HE1 TRP 31 HE1 TRP 31 -9.887 11.025 4.919 199 HE3 TRP 31 HE3 TRP 31 -5.418 13.402 3.197 200 HZ2 TRP 31 HZ2 TRP 31 -9.962 11.634 2.160 201 HZ3 TRP 31 HZ3 TRP 31 -6.343 13.519 0.921 202 HH2 TRP 31 HH2 TRP 31 -8.569 12.653 0.414 203 H GLY 32 HN GLY 32 -2.532 12.346 6.246 204 1HA GLY 32 HA1 GLY 32 -1.134 11.769 8.469 205 2HA GLY 32 HA2 GLY 32 -2.174 13.071 9.029 206 H VAL 33 HN VAL 33 -0.634 14.615 9.348 207 HA VAL 33 HA VAL 33 0.380 15.914 6.980 208 HB VAL 33 HB VAL 33 0.726 16.633 9.894 209 1HG1 VAL 33 1HG1 VAL 33 2.535 17.517 8.472 210 2HG1 VAL 33 3HG1 VAL 33 1.326 18.279 7.437 211 3HG1 VAL 33 2HG1 VAL 33 1.502 18.797 9.113 212 1HG2 VAL 33 3HG2 VAL 33 -1.303 17.315 7.827 213 2HG2 VAL 33 2HG2 VAL 33 -1.509 16.992 9.549 214 3HG2 VAL 33 1HG2 VAL 33 -0.857 18.541 9.013 215 H GLN 34 HN GLN 34 2.072 14.898 6.057 216 HA GLN 34 HA GLN 34 4.353 14.244 7.800 217 1HB GLN 34 HB2 GLN 34 3.132 12.417 6.359 218 2HB GLN 34 HB1 GLN 34 4.087 13.101 5.049 219 1HG GLN 34 HG2 GLN 34 5.918 12.059 5.730 220 2HG GLN 34 HG1 GLN 34 5.709 12.637 7.384 221 1HE2 GLN 34 1HE2 GLN 34 5.968 9.954 5.554 222 2HE2 GLN 34 2HE2 GLN 34 5.137 8.815 6.556 223 H ASN 35 HN ASN 35 6.265 15.176 7.419 224 HA ASN 35 HA ASN 35 7.712 16.764 6.691 225 1HB ASN 35 HB2 ASN 35 8.473 16.503 4.464 226 2HB ASN 35 HB1 ASN 35 7.879 14.917 4.946 227 1HD2 ASN 35 1HD2 ASN 35 6.205 14.015 3.872 228 2HD2 ASN 35 2HD2 ASN 35 5.442 14.729 2.496 229 H GLY 36 HN GLY 36 4.981 17.644 7.147 230 1HA GLY 36 HA1 GLY 36 5.216 20.270 6.085 231 2HA GLY 36 HA2 GLY 36 3.860 19.647 7.011 232 H GLN 37 HN GLN 37 2.988 17.593 5.368 233 HA GLN 37 HA GLN 37 1.699 19.137 3.286 234 1HB GLN 37 HB2 GLN 37 3.308 16.673 2.596 235 2HB GLN 37 HB1 GLN 37 2.273 17.566 1.488 236 1HG GLN 37 HG2 GLN 37 3.754 19.578 2.010 237 2HG GLN 37 HG1 GLN 37 4.874 18.411 2.712 238 1HE2 GLN 37 1HE2 GLN 37 3.405 19.588 -0.202 239 2HE2 GLN 37 2HE2 GLN 37 4.453 18.770 -1.305 240 H TRP 38 HN TRP 38 -0.375 18.595 3.198 241 HA TRP 38 HA TRP 38 -1.424 16.462 4.761 242 1HB TRP 38 HB2 TRP 38 -2.525 18.580 2.997 243 2HB TRP 38 HB1 TRP 38 -3.532 17.155 3.230 244 HD1 TRP 38 HD1 TRP 38 -3.563 20.376 4.485 245 HE1 TRP 38 HE1 TRP 38 -4.254 20.541 6.959 246 HE3 TRP 38 HE3 TRP 38 -2.801 15.512 5.868 247 HZ2 TRP 38 HZ2 TRP 38 -4.452 18.836 9.199 248 HZ3 TRP 38 HZ3 TRP 38 -3.268 14.862 8.196 249 HH2 TRP 38 HH2 TRP 38 -4.075 16.491 9.824 250 H CYS 39 HN CYS 39 -1.093 14.400 4.166 251 HA CYS 39 HA CYS 39 -1.945 13.624 1.479 252 1HB CYS 39 HB2 CYS 39 0.107 11.911 1.743 253 2HB CYS 39 HB1 CYS 39 0.242 13.449 0.907 254 H GLY 40 HN GLY 40 -2.976 11.692 1.351 255 1HA GLY 40 HA1 GLY 40 -4.263 9.957 2.144 256 2HA GLY 40 HA2 GLY 40 -3.979 10.569 3.767 257 H ILE 41 HN ILE 41 -3.861 8.307 4.376 258 HA ILE 41 HA ILE 41 -1.123 7.330 4.149 259 HB ILE 41 HB ILE 41 -3.349 6.888 6.081 260 1HG1 ILE 41 2HG1 ILE 41 -1.460 7.172 7.684 261 2HG1 ILE 41 1HG1 ILE 41 -0.377 7.370 6.311 262 1HG2 ILE 41 2HG2 ILE 41 -1.282 4.852 5.384 263 2HG2 ILE 41 1HG2 ILE 41 -1.817 5.020 7.056 264 3HG2 ILE 41 3HG2 ILE 41 -2.983 4.632 5.792 265 1HD1 ILE 41 2HD1 ILE 41 -2.747 9.123 6.392 266 2HD1 ILE 41 1HD1 ILE 41 -1.486 9.419 7.589 267 3HD1 ILE 41 3HD1 ILE 41 -1.096 9.460 5.869 268 H ASP 42 HN ASP 42 -0.845 6.197 2.326 269 HA ASP 42 HA ASP 42 -2.618 3.890 1.892 270 1HB ASP 42 HB2 ASP 42 -2.504 6.055 0.190 271 2HB ASP 42 HB1 ASP 42 -1.352 4.941 -0.541 272 H TYR 43 HN TYR 43 -1.306 2.310 2.675 273 HA TYR 43 HA TYR 43 1.481 2.225 2.467 274 1HB TYR 43 HB2 TYR 43 -0.275 -0.228 2.540 275 2HB TYR 43 HB1 TYR 43 1.352 -0.039 3.188 276 HD1 TYR 43 HD1 TYR 43 -0.971 -1.123 4.744 277 HD2 TYR 43 HD2 TYR 43 0.492 2.850 4.315 278 HE1 TYR 43 HE1 TYR 43 -1.914 -0.543 6.939 279 HE2 TYR 43 HE2 TYR 43 -0.449 3.442 6.509 280 HH TYR 43 HH TYR 43 -2.478 2.445 7.969 281 H SER 44 HN SER 44 -0.964 1.588 0.147 282 HA SER 44 HA SER 44 1.042 0.520 -1.721 283 1HB SER 44 HB2 SER 44 -1.387 -0.021 -2.900 284 2HB SER 44 HB1 SER 44 -0.441 -1.173 -1.958 285 HG SER 44 HG SER 44 -1.764 -0.931 -0.289 286 H TYR 45 HN TYR 45 1.110 3.180 -1.402 287 HA TYR 45 HA TYR 45 -0.609 4.399 -3.391 288 1HB TYR 45 HB2 TYR 45 -0.350 6.277 -2.178 289 2HB TYR 45 HB1 TYR 45 0.536 5.318 -0.997 290 HD1 TYR 45 HD1 TYR 45 2.782 5.778 -0.575 291 HD2 TYR 45 HD2 TYR 45 0.974 7.225 -4.129 292 HE1 TYR 45 HE1 TYR 45 4.846 6.970 -1.135 293 HE2 TYR 45 HE2 TYR 45 3.011 8.407 -4.707 294 HH TYR 45 HH TYR 45 5.981 7.915 -3.044 295 H GLY 46 HN GLY 46 0.014 4.128 -5.371 296 1HA GLY 46 HA1 GLY 46 1.810 5.221 -6.859 297 2HA GLY 46 HA2 GLY 46 1.407 3.547 -7.140 298 H GLN 47 HN GLN 47 2.812 2.723 -4.611 299 HA GLN 47 HA GLN 47 5.550 3.449 -5.000 300 1HB GLN 47 HB2 GLN 47 4.336 1.242 -3.333 301 2HB GLN 47 HB1 GLN 47 6.008 1.786 -3.248 302 1HG GLN 47 HG2 GLN 47 4.609 4.116 -2.917 303 2HG GLN 47 HG1 GLN 47 3.601 2.935 -2.079 304 1HE2 GLN 47 1HE2 GLN 47 7.112 3.266 -2.457 305 2HE2 GLN 47 2HE2 GLN 47 7.467 3.283 -0.767 306 H ASN 48 HN ASN 48 7.078 1.296 -4.878 307 HA ASN 48 HA ASN 48 6.852 0.212 -7.530 308 1HB ASN 48 HB2 ASN 48 8.896 -0.411 -5.392 309 2HB ASN 48 HB1 ASN 48 9.034 -0.769 -7.111 310 1HD2 ASN 48 1HD2 ASN 48 9.205 0.999 -8.584 311 2HD2 ASN 48 2HD2 ASN 48 9.871 2.505 -8.061 312 H GLN 49 HN GLN 49 6.411 -1.816 -8.160 313 HA GLN 49 HA GLN 49 5.177 -3.589 -6.209 314 1HB GLN 49 HB2 GLN 49 3.757 -3.400 -8.020 315 2HB GLN 49 HB1 GLN 49 5.064 -3.283 -9.187 316 1HG GLN 49 HG2 GLN 49 4.754 -5.880 -7.817 317 2HG GLN 49 HG1 GLN 49 3.467 -5.408 -8.919 318 1HE2 GLN 49 1HE2 GLN 49 4.731 -7.579 -9.629 319 2HE2 GLN 49 2HE2 GLN 49 5.838 -7.300 -10.926 320 H GLY 50 HN GLY 50 7.990 -3.287 -6.039 321 1HA GLY 50 HA1 GLY 50 9.997 -4.447 -6.203 322 2HA GLY 50 HA2 GLY 50 9.220 -5.582 -7.295 323 H ASN 51 HN ASN 51 7.112 -5.510 -4.856 324 HA ASN 51 HA ASN 51 6.572 -6.970 -3.200 325 1HB ASN 51 HB2 ASN 51 7.349 -8.672 -4.852 326 2HB ASN 51 HB1 ASN 51 8.950 -8.586 -4.127 327 1HD2 ASN 51 1HD2 ASN 51 5.662 -8.702 -2.794 328 2HD2 ASN 51 2HD2 ASN 51 5.941 -10.069 -1.776 329 H GLU 52 HN GLU 52 7.930 -4.780 -2.392 330 HA GLU 52 HA GLU 52 10.122 -5.613 -0.673 331 1HB GLU 52 HB2 GLU 52 8.901 -2.862 -0.802 332 2HB GLU 52 HB1 GLU 52 10.518 -3.311 -0.276 333 1HG GLU 52 HG2 GLU 52 10.563 -4.213 -2.817 334 2HG GLU 52 HG1 GLU 52 9.466 -2.842 -2.978 335 H SER 53 HN SER 53 6.727 -5.028 -0.486 336 HA SER 53 HA SER 53 6.687 -5.849 2.270 337 1HB SER 53 HB2 SER 53 5.341 -3.779 2.955 338 2HB SER 53 HB1 SER 53 7.083 -3.570 2.768 339 HG SER 53 HG SER 53 6.629 -2.772 0.635 340 H CYS 54 HN CYS 54 4.608 -6.440 3.008 341 HA CYS 54 HA CYS 54 2.577 -6.577 0.878 342 1HB CYS 54 HB2 CYS 54 1.762 -8.617 2.267 343 2HB CYS 54 HB1 CYS 54 3.159 -8.807 1.215 344 H THR 55 HN THR 55 0.309 -6.734 1.692 345 HA THR 55 HA THR 55 -0.074 -4.753 3.788 346 HB THR 55 HB THR 55 -2.066 -6.043 1.911 347 HG1 THR 55 HG1 THR 55 -1.646 -4.452 0.603 348 1HG2 THR 55 3HG2 THR 55 -2.535 -4.516 4.257 349 2HG2 THR 55 2HG2 THR 55 -2.961 -3.535 2.852 350 3HG2 THR 55 1HG2 THR 55 -3.697 -5.122 3.077 351 H GLY 56 HN GLY 56 -1.269 -5.097 5.651 352 1HA GLY 56 HA1 GLY 56 -2.171 -7.834 6.181 353 2HA GLY 56 HA2 GLY 56 -2.614 -6.408 7.103 354 H ASN 57 HN ASN 57 0.589 -6.042 6.669 355 HA ASN 57 HA ASN 57 1.534 -7.924 8.632 356 1HB ASN 57 HB2 ASN 57 3.652 -6.419 8.470 357 2HB ASN 57 HB1 ASN 57 3.209 -7.437 7.107 358 1HD2 ASN 57 1HD2 ASN 57 1.539 -4.458 7.936 359 2HD2 ASN 57 2HD2 ASN 57 2.066 -3.567 6.558 360 H GLY 58 HN GLY 58 -0.424 -5.440 9.096 361 1HA GLY 58 HA1 GLY 58 -0.689 -3.810 10.730 362 2HA GLY 58 HA2 GLY 58 0.966 -4.094 11.247 363 H SER 59 HN SER 59 -1.168 -6.803 10.898 364 HA SER 59 HA SER 59 -0.888 -7.426 13.685 365 1HB SER 59 HB2 SER 59 -3.316 -7.517 14.164 366 2HB SER 59 HB1 SER 59 -2.764 -5.876 13.826 367 HG SER 59 HG SER 59 -3.475 -6.350 11.591 368 H TYR 60 HN TYR 60 -2.691 -8.160 10.710 369 HA TYR 60 HA TYR 60 -2.707 -10.997 11.399 370 1HB TYR 60 HB2 TYR 60 -3.773 -10.402 8.767 371 2HB TYR 60 HB1 TYR 60 -4.568 -11.136 10.153 372 HD1 TYR 60 HD1 TYR 60 -4.494 -8.364 7.995 373 HD2 TYR 60 HD2 TYR 60 -5.352 -9.450 12.015 374 HE1 TYR 60 HE1 TYR 60 -5.874 -6.346 8.234 375 HE2 TYR 60 HE2 TYR 60 -6.735 -7.431 12.271 376 HH TYR 60 HH TYR 60 -8.089 -5.881 10.423 377 HA PRO 61 HA PRO 61 0.405 -12.037 8.396 378 1HB PRO 61 HB2 PRO 61 -0.429 -14.263 7.210 379 2HB PRO 61 HB1 PRO 61 -0.220 -14.211 8.966 380 1HG PRO 61 HG2 PRO 61 -2.726 -14.079 7.347 381 2HG PRO 61 HG1 PRO 61 -2.434 -14.880 8.901 382 1HD PRO 61 HD2 PRO 61 -3.615 -12.364 8.530 383 2HD PRO 61 HD1 PRO 61 -2.997 -13.011 10.061 384 H CYS 62 HN CYS 62 1.120 -12.082 6.190 385 HA CYS 62 HA CYS 62 -0.465 -10.462 4.434 386 1HB CYS 62 HB2 CYS 62 2.183 -11.855 3.965 387 2HB CYS 62 HB1 CYS 62 1.449 -10.679 2.879 388 H CYS 63 HN CYS 63 -1.270 -11.060 2.374 389 HA CYS 63 HA CYS 63 -2.273 -13.756 2.312 390 1HB CYS 63 HB2 CYS 63 -3.076 -11.220 1.298 391 2HB CYS 63 HB1 CYS 63 -2.951 -12.328 -0.062 392 H ASN 64 HN ASN 64 -1.062 -11.886 -0.411 393 HA ASN 64 HA ASN 64 1.018 -12.493 -1.557 394 1HB ASN 64 HB2 ASN 64 1.622 -14.715 -1.979 395 2HB ASN 64 HB1 ASN 64 1.024 -14.777 -0.330 396 1HD2 ASN 64 1HD2 ASN 64 0.787 -16.037 -3.428 397 2HD2 ASN 64 2HD2 ASN 64 -0.628 -17.002 -3.211 398 H THR 65 HN THR 65 -2.289 -13.452 -1.839 399 HA THR 65 HA THR 65 -2.328 -13.800 -4.664 400 HB THR 65 HB THR 65 -3.965 -14.768 -3.028 401 HG1 THR 65 HG1 THR 65 -5.179 -13.193 -5.048 402 1HG2 THR 65 1HG2 THR 65 -4.316 -12.628 -1.748 403 2HG2 THR 65 3HG2 THR 65 -5.308 -12.081 -3.101 404 3HG2 THR 65 2HG2 THR 65 -5.778 -13.514 -2.187 405 H CYS 66 HN CYS 66 -2.977 -12.390 -6.262 406 HA CYS 66 HA CYS 66 -2.914 -9.558 -5.519 407 1HB CYS 66 HB2 CYS 66 -2.816 -10.622 -8.335 408 2HB CYS 66 HB1 CYS 66 -2.239 -9.073 -7.729 409 H GLN 67 HN GLN 67 -5.214 -11.071 -4.973 410 HA GLN 67 HA GLN 67 -7.151 -9.795 -6.782 411 1HB GLN 67 HB2 GLN 67 -7.634 -11.956 -7.324 412 2HB GLN 67 HB1 GLN 67 -6.943 -12.595 -5.844 413 1HG GLN 67 HG2 GLN 67 -9.405 -11.128 -5.362 414 2HG GLN 67 HG1 GLN 67 -9.618 -12.456 -6.498 415 1HE2 GLN 67 1HE2 GLN 67 -7.289 -12.335 -3.865 416 2HE2 GLN 67 2HE2 GLN 67 -7.978 -13.630 -2.952 417 H ALA 68 HN ALA 68 -7.402 -8.011 -5.479 418 HA ALA 68 HA ALA 68 -7.968 -8.294 -2.670 419 1HB ALA 68 HB1 ALA 68 -6.764 -6.382 -3.021 420 2HB ALA 68 HB3 ALA 68 -7.586 -6.006 -4.535 421 3HB ALA 68 HB2 ALA 68 -8.405 -5.733 -2.996 422 H THR 69 HN THR 69 -9.871 -8.937 -2.037 423 HA THR 69 HA THR 69 -12.236 -8.404 -3.640 424 HB THR 69 HB THR 69 -12.532 -10.536 -2.932 425 HG1 THR 69 HG1 THR 69 -13.299 -9.331 -0.490 426 1HG2 THR 69 1HG2 THR 69 -11.028 -9.926 -0.403 427 2HG2 THR 69 3HG2 THR 69 -11.681 -11.502 -0.861 428 3HG2 THR 69 2HG2 THR 69 -10.398 -10.763 -1.825 429 H TYR 70 HN TYR 70 -10.670 -7.225 -0.794 430 HA TYR 70 HA TYR 70 -12.707 -5.181 -0.549 431 1HB TYR 70 HB2 TYR 70 -13.514 -5.691 1.520 432 2HB TYR 70 HB1 TYR 70 -13.119 -7.322 1.000 433 HD1 TYR 70 HD1 TYR 70 -11.617 -4.428 2.825 434 HD2 TYR 70 HD2 TYR 70 -11.813 -8.655 2.379 435 HE1 TYR 70 HE1 TYR 70 -10.195 -4.696 4.808 436 HE2 TYR 70 HE2 TYR 70 -10.386 -8.935 4.363 437 HH TYR 70 HH TYR 70 -9.956 -7.063 6.599 438 H THR 71 HN THR 71 -11.930 -3.269 0.203 439 HA THR 71 HA THR 71 -9.115 -3.224 1.072 440 HB THR 71 HB THR 71 -10.577 -1.323 -0.759 441 HG1 THR 71 HG1 THR 71 -9.607 -3.102 -1.759 442 1HG2 THR 71 1HG2 THR 71 -9.173 -0.082 0.904 443 2HG2 THR 71 3HG2 THR 71 -7.775 -0.946 0.258 444 3HG2 THR 71 2HG2 THR 71 -8.707 0.130 -0.785 445 H ASP 72 HN ASP 72 -8.669 -2.143 2.894 446 HA ASP 72 HA ASP 72 -10.869 -0.635 4.132 447 1HB ASP 72 HB2 ASP 72 -9.451 -2.874 5.112 448 2HB ASP 72 HB1 ASP 72 -8.914 -1.493 6.063 449 H GLY 73 HN GLY 73 -9.484 0.482 6.241 450 1HA GLY 73 HA1 GLY 73 -8.417 2.472 6.678 451 2HA GLY 73 HA2 GLY 73 -8.255 2.706 4.946 452 H ASP 74 HN ASP 74 -6.909 -0.216 5.280 453 HA ASP 74 HA ASP 74 -4.251 0.947 5.772 454 1HB ASP 74 HB2 ASP 74 -5.533 -1.419 6.994 455 2HB ASP 74 HB1 ASP 74 -3.864 -1.643 6.479 456 H GLY 75 HN GLY 75 -6.055 0.046 3.367 457 1HA GLY 75 HA1 GLY 75 -3.910 -1.475 2.021 458 2HA GLY 75 HA2 GLY 75 -4.852 -0.220 1.229 459 H ASP 76 HN ASP 76 -4.733 -2.576 -0.021 460 HA ASP 76 HA ASP 76 -7.482 -3.395 -0.049 461 1HB ASP 76 HB2 ASP 76 -5.243 -4.760 -1.538 462 2HB ASP 76 HB1 ASP 76 -6.941 -4.638 -1.984 463 H TRP 77 HN TRP 77 -7.967 -5.825 -0.171 464 HA TRP 77 HA TRP 77 -6.330 -7.510 1.497 465 1HB TRP 77 HB2 TRP 77 -9.111 -6.806 2.448 466 2HB TRP 77 HB1 TRP 77 -7.962 -7.875 3.245 467 HD1 TRP 77 HD1 TRP 77 -8.672 -4.157 2.647 468 HE1 TRP 77 HE1 TRP 77 -7.299 -2.777 4.318 469 HE3 TRP 77 HE3 TRP 77 -5.841 -7.907 4.666 470 HZ2 TRP 77 HZ2 TRP 77 -5.289 -3.211 6.231 471 HZ3 TRP 77 HZ3 TRP 77 -4.215 -7.332 6.414 472 HH2 TRP 77 HH2 TRP 77 -3.944 -5.028 7.182 473 H ALA 78 HN ALA 78 -6.894 -9.683 1.429 474 HA ALA 78 HA ALA 78 -9.174 -10.448 -0.210 475 1HB ALA 78 HB2 ALA 78 -7.253 -10.147 -1.739 476 2HB ALA 78 HB3 ALA 78 -7.882 -11.795 -1.714 477 3HB ALA 78 HB1 ALA 78 -6.395 -11.406 -0.849 478 H PHE 79 HN PHE 79 -9.798 -12.647 0.001 479 HA PHE 79 HA PHE 79 -9.006 -13.800 2.557 480 1HB PHE 79 HB2 PHE 79 -11.433 -13.529 1.811 481 2HB PHE 79 HB1 PHE 79 -11.127 -14.844 0.681 482 HD1 PHE 79 HD1 PHE 79 -9.998 -14.390 4.197 483 HD2 PHE 79 HD2 PHE 79 -12.348 -16.645 1.459 484 HE1 PHE 79 HE1 PHE 79 -10.491 -16.022 5.971 485 HE2 PHE 79 HE2 PHE 79 -12.846 -18.281 3.227 486 HZ PHE 79 HZ PHE 79 -11.919 -17.970 5.487 487 H GLU 80 HN GLU 80 -7.217 -15.007 2.464 488 HA GLU 80 HA GLU 80 -7.052 -17.058 0.356 489 1HB GLU 80 HB2 GLU 80 -5.450 -15.101 0.073 490 2HB GLU 80 HB1 GLU 80 -4.658 -15.666 1.541 491 1HG GLU 80 HG2 GLU 80 -3.492 -16.456 -0.412 492 2HG GLU 80 HG1 GLU 80 -4.202 -17.804 0.479 493 H ASN 81 HN ASN 81 -6.118 -19.034 0.934 494 HA ASN 81 HA ASN 81 -5.866 -20.817 2.343 495 1HB ASN 81 HB2 ASN 81 -3.659 -19.907 2.508 496 2HB ASN 81 HB1 ASN 81 -4.183 -18.671 3.643 497 1HD2 ASN 81 1HD2 ASN 81 -2.892 -19.136 5.294 498 2HD2 ASN 81 2HD2 ASN 81 -2.911 -20.626 6.173 499 H GLY 82 HN GLY 82 -8.163 -19.024 2.848 500 1HA GLY 82 HA1 GLY 82 -9.099 -20.226 5.233 501 2HA GLY 82 HA2 GLY 82 -9.911 -18.956 4.332 502 H ASN 83 HN ASN 83 -7.435 -17.232 4.621 503 HA ASN 83 HA ASN 83 -8.068 -16.310 7.339 504 1HB ASN 83 HB2 ASN 83 -5.546 -15.639 7.423 505 2HB ASN 83 HB1 ASN 83 -6.016 -17.294 7.798 506 1HD2 ASN 83 1HD2 ASN 83 -4.472 -15.199 5.509 507 2HD2 ASN 83 2HD2 ASN 83 -3.751 -16.441 4.549 508 H TRP 84 HN TRP 84 -8.252 -14.146 7.587 509 HA TRP 84 HA TRP 84 -8.471 -12.539 5.235 510 1HB TRP 84 HB2 TRP 84 -8.841 -12.068 8.172 511 2HB TRP 84 HB1 TRP 84 -8.757 -10.691 7.077 512 HD1 TRP 84 HD1 TRP 84 -11.306 -12.418 8.744 513 HE1 TRP 84 HE1 TRP 84 -13.509 -12.538 7.418 514 HE3 TRP 84 HE3 TRP 84 -9.517 -11.267 4.096 515 HZ2 TRP 84 HZ2 TRP 84 -14.373 -12.189 4.753 516 HZ3 TRP 84 HZ3 TRP 84 -11.098 -11.181 2.212 517 HH2 TRP 84 HH2 TRP 84 -13.475 -11.634 2.535 518 H CYS 85 HN CYS 85 -6.502 -12.323 4.258 519 HA CYS 85 HA CYS 85 -4.381 -11.001 5.814 520 1HB CYS 85 HB2 CYS 85 -3.097 -11.799 3.569 521 2HB CYS 85 HB1 CYS 85 -3.182 -12.756 5.039 522 H GLY 86 HN GLY 86 -2.861 -9.700 4.224 523 1HA GLY 86 HA1 GLY 86 -3.154 -7.407 3.496 524 2HA GLY 86 HA2 GLY 86 -4.661 -7.893 2.737 525 H ILE 87 HN ILE 87 -4.065 -7.072 0.718 526 HA ILE 87 HA ILE 87 -2.653 -8.887 -0.947 527 HB ILE 87 HB ILE 87 -4.307 -6.538 -1.314 528 1HG1 ILE 87 2HG1 ILE 87 -5.036 -7.682 -3.253 529 2HG1 ILE 87 1HG1 ILE 87 -3.529 -8.578 -3.390 530 1HG2 ILE 87 2HG2 ILE 87 -2.235 -5.455 -2.044 531 2HG2 ILE 87 1HG2 ILE 87 -1.963 -6.761 -3.201 532 3HG2 ILE 87 3HG2 ILE 87 -3.355 -5.692 -3.385 533 1HD1 ILE 87 3HD1 ILE 87 -5.473 -8.933 -1.129 534 2HD1 ILE 87 2HD1 ILE 87 -5.492 -9.894 -2.609 535 3HD1 ILE 87 1HD1 ILE 87 -4.093 -9.951 -1.540 536 H LYS 88 HN LYS 88 -0.655 -8.803 -1.826 537 HA LYS 88 HA LYS 88 1.359 -7.369 -0.428 538 1HB LYS 88 HB2 LYS 88 1.861 -8.618 -3.103 539 2HB LYS 88 HB1 LYS 88 2.909 -8.554 -1.696 540 1HG LYS 88 HG2 LYS 88 0.468 -10.283 -2.036 541 2HG LYS 88 HG1 LYS 88 2.150 -10.809 -2.064 542 1HD LYS 88 HD2 LYS 88 1.437 -9.310 0.338 543 2HD LYS 88 HD1 LYS 88 0.513 -10.799 0.138 544 1HE LYS 88 HE2 LYS 88 2.721 -10.937 1.424 545 2HE LYS 88 HE1 LYS 88 2.431 -12.134 0.165 546 1HZ LYS 88 HZ2 LYS 88 3.920 -9.650 -0.409 547 2HZ LYS 88 HZ1 LYS 88 4.700 -10.999 0.248 548 3HZ LYS 88 HZ3 LYS 88 3.936 -11.112 -1.258 549 H ASN 89 HN ASN 89 2.695 -5.690 -1.124 550 HA ASN 89 HA ASN 89 1.469 -3.716 -2.735 551 1HB ASN 89 HB2 ASN 89 3.251 -2.342 -2.175 552 2HB ASN 89 HB1 ASN 89 3.283 -3.497 -0.848 553 1HD2 ASN 89 1HD2 ASN 89 4.449 -5.658 -2.166 554 2HD2 ASN 89 2HD2 ASN 89 6.084 -5.254 -2.544 555 H SER 90 HN SER 90 3.268 -6.480 -3.499 556 HA SER 90 HA SER 90 4.268 -5.500 -6.037 557 1HB SER 90 HB2 SER 90 5.014 -7.545 -4.277 558 2HB SER 90 HB1 SER 90 4.370 -8.383 -5.688 559 HG SER 90 HG SER 90 6.297 -8.011 -6.451 560 H CYS 91 HN CYS 91 1.419 -6.844 -4.809 561 HA CYS 91 HA CYS 91 0.607 -8.087 -7.304 562 1HB CYS 91 HB2 CYS 91 -0.460 -8.015 -4.521 563 2HB CYS 91 HB1 CYS 91 -1.583 -8.338 -5.836 564 H LYS 92 HN LYS 92 1.050 -5.488 -7.770 565 HA LYS 92 HA LYS 92 -1.652 -4.341 -7.977 566 1HB LYS 92 HB2 LYS 92 0.900 -2.750 -7.948 567 2HB LYS 92 HB1 LYS 92 -0.743 -2.155 -7.764 568 1HG LYS 92 HG2 LYS 92 -0.918 -2.989 -5.580 569 2HG LYS 92 HG1 LYS 92 0.497 -4.026 -5.777 570 1HD LYS 92 HD2 LYS 92 1.028 -2.080 -4.405 571 2HD LYS 92 HD1 LYS 92 1.926 -2.041 -5.924 572 1HE LYS 92 HE2 LYS 92 0.736 -0.272 -6.745 573 2HE LYS 92 HE1 LYS 92 -0.706 -0.671 -5.807 574 1HZ LYS 92 HZ2 LYS 92 0.715 -0.006 -3.805 575 2HZ LYS 92 HZ1 LYS 92 1.732 0.744 -4.929 576 3HZ LYS 92 HZ3 LYS 92 0.117 1.231 -4.794 577 H GLN 93 HN GLN 93 1.553 -3.950 -9.437 578 HA GLN 93 HA GLN 93 0.595 -4.663 -12.047 579 1HB GLN 93 HB2 GLN 93 1.030 -2.531 -13.129 580 2HB GLN 93 HB1 GLN 93 -0.191 -2.334 -11.879 581 1HG GLN 93 HG2 GLN 93 2.285 -1.846 -10.649 582 2HG GLN 93 HG1 GLN 93 2.317 -0.997 -12.194 583 1HE2 GLN 93 1HE2 GLN 93 0.757 0.603 -12.604 584 2HE2 GLN 93 2HE2 GLN 93 -0.101 1.375 -11.319 585 H GLN 94 HN GLN 94 2.233 -5.365 -13.325 586 HA GLN 94 HA GLN 94 4.734 -5.870 -12.196 587 1HB GLN 94 HB2 GLN 94 4.565 -7.382 -13.834 588 2HB GLN 94 HB1 GLN 94 3.360 -6.424 -14.680 589 1HG GLN 94 HG2 GLN 94 5.209 -6.791 -16.134 590 2HG GLN 94 HG1 GLN 94 5.191 -5.092 -15.675 591 1HE2 GLN 94 1HE2 GLN 94 7.062 -4.261 -15.095 592 2HE2 GLN 94 2HE2 GLN 94 8.427 -5.138 -14.501 593 HA PRO 95 HA PRO 95 6.401 -2.321 -15.092 594 1HB PRO 95 HB2 PRO 95 4.550 -0.408 -15.707 595 2HB PRO 95 HB1 PRO 95 4.922 -1.783 -16.756 596 1HG PRO 95 HG2 PRO 95 2.692 -1.469 -14.772 597 2HG PRO 95 HG1 PRO 95 2.621 -2.069 -16.441 598 1HD PRO 95 HD2 PRO 95 2.631 -3.745 -14.382 599 2HD PRO 95 HD1 PRO 95 3.537 -4.124 -15.860 600 H GLN 96 HN GLN 96 4.112 -1.959 -12.499 601 HA GLN 96 HA GLN 96 3.841 -0.354 -10.873 602 1HB GLN 96 HB2 GLN 96 5.607 -0.421 -9.351 603 2HB GLN 96 HB1 GLN 96 5.795 -1.905 -10.271 604 1HG GLN 96 HG2 GLN 96 7.313 0.017 -11.625 605 2HG GLN 96 HG1 GLN 96 7.636 0.263 -9.912 606 1HE2 GLN 96 1HE2 GLN 96 7.330 -2.362 -12.279 607 2HE2 GLN 96 2HE2 GLN 96 8.638 -3.305 -11.658 608 H ASN 97 HN ASN 97 5.922 1.537 -9.980 609 HA ASN 97 HA ASN 97 5.110 3.812 -11.364 610 1HB ASN 97 HB2 ASN 97 6.052 3.943 -9.125 611 2HB ASN 97 HB1 ASN 97 7.607 3.365 -9.713 612 1HD2 ASN 97 1HD2 ASN 97 8.764 5.141 -9.105 613 2HD2 ASN 97 2HD2 ASN 97 8.575 6.695 -9.836 614 H ASN 98 HN ASN 98 8.464 2.608 -11.375 615 HA ASN 98 HA ASN 98 8.833 3.761 -14.028 616 1HB ASN 98 HB2 ASN 98 10.645 2.865 -11.836 617 2HB ASN 98 HB1 ASN 98 11.267 2.837 -13.483 618 1HD2 ASN 98 1HD2 ASN 98 10.637 4.723 -10.763 619 2HD2 ASN 98 2HD2 ASN 98 10.986 6.271 -11.447 620 H ASN 99 HN ASN 99 9.801 2.554 -15.755 621 HA ASN 99 HA ASN 99 8.759 -0.139 -15.909 622 1HB ASN 99 HB2 ASN 99 10.352 1.339 -18.007 623 2HB ASN 99 HB1 ASN 99 9.279 -0.038 -18.246 624 1HD2 ASN 99 1HD2 ASN 99 7.147 0.797 -16.645 625 2HD2 ASN 99 2HD2 ASN 99 6.401 2.161 -17.398 626 H GLN 100 HN GLN 100 9.929 -1.654 -14.897 627 HA GLN 100 HA GLN 100 12.842 -1.556 -14.997 628 1HB GLN 100 HB2 GLN 100 11.361 -2.108 -12.915 629 2HB GLN 100 HB1 GLN 100 11.282 -3.715 -13.624 630 1HG GLN 100 HG2 GLN 100 13.616 -4.014 -13.447 631 2HG GLN 100 HG1 GLN 100 13.878 -2.311 -13.078 632 1HE2 GLN 100 1HE2 GLN 100 12.385 -1.639 -11.110 633 2HE2 GLN 100 2HE2 GLN 100 12.560 -2.658 -9.726 No H/Q in entry = 633 Start of MODEL 4 1 H1 ALA 1 HT2 ALA 1 3.516 5.613 -9.792 2 H2 ALA 1 HT1 ALA 1 4.514 6.931 -10.254 3 H3 ALA 1 HT3 ALA 1 5.221 5.498 -9.634 4 HA ALA 1 HA ALA 1 4.186 5.857 -7.536 5 1HB ALA 1 HB1 ALA 1 5.962 7.937 -8.730 6 2HB ALA 1 HB3 ALA 1 5.395 8.118 -7.071 7 3HB ALA 1 HB2 ALA 1 6.331 6.697 -7.532 8 H MET 2 HN MET 2 1.872 6.172 -8.706 9 HA MET 2 HA MET 2 0.664 8.335 -7.329 10 1HB MET 2 HB2 MET 2 1.739 9.147 -9.708 11 2HB MET 2 HB1 MET 2 0.092 8.753 -10.182 12 1HG MET 2 HG2 MET 2 -0.765 10.529 -9.138 13 2HG MET 2 HG1 MET 2 0.272 10.325 -7.728 14 1HE MET 2 HE1 MET 2 2.405 10.900 -7.446 15 2HE MET 2 HE3 MET 2 3.532 11.411 -8.704 16 3HE MET 2 HE2 MET 2 2.731 12.615 -7.695 17 H ALA 3 HN ALA 3 -0.640 6.641 -6.558 18 HA ALA 3 HA ALA 3 -2.929 6.072 -8.222 19 1HB ALA 3 HB2 ALA 3 -2.624 3.886 -8.662 20 2HB ALA 3 HB1 ALA 3 -0.916 4.266 -8.427 21 3HB ALA 3 HB3 ALA 3 -1.856 3.576 -7.102 22 H CYS 4 HN CYS 4 -2.372 7.436 -5.706 23 HA CYS 4 HA CYS 4 -3.558 5.721 -3.675 24 1HB CYS 4 HB2 CYS 4 -3.330 7.884 -2.273 25 2HB CYS 4 HB1 CYS 4 -1.873 7.009 -2.708 26 H TRP 5 HN TRP 5 -5.382 6.422 -2.402 27 HA TRP 5 HA TRP 5 -7.556 7.299 -4.029 28 1HB TRP 5 HB2 TRP 5 -8.831 7.232 -1.852 29 2HB TRP 5 HB1 TRP 5 -8.030 5.723 -2.279 30 HD1 TRP 5 HD1 TRP 5 -6.187 4.829 -0.646 31 HE1 TRP 5 HE1 TRP 5 -5.359 5.557 1.683 32 HE3 TRP 5 HE3 TRP 5 -8.429 9.381 -0.412 33 HZ2 TRP 5 HZ2 TRP 5 -5.641 7.789 3.392 34 HZ3 TRP 5 HZ3 TRP 5 -8.116 10.765 1.602 35 HH2 TRP 5 HH2 TRP 5 -6.744 9.983 3.464 36 H ALA 6 HN ALA 6 -5.128 8.867 -2.300 37 HA ALA 6 HA ALA 6 -6.455 11.180 -1.387 38 1HB ALA 6 HB1 ALA 6 -4.408 10.915 -0.389 39 2HB ALA 6 HB3 ALA 6 -3.626 10.396 -1.883 40 3HB ALA 6 HB2 ALA 6 -4.003 12.101 -1.631 41 H GLN 7 HN GLN 7 -4.436 10.636 -4.288 42 HA GLN 7 HA GLN 7 -4.768 13.162 -5.424 43 1HB GLN 7 HB2 GLN 7 -4.346 11.917 -7.628 44 2HB GLN 7 HB1 GLN 7 -3.102 11.836 -6.388 45 1HG GLN 7 HG2 GLN 7 -3.482 9.631 -5.947 46 2HG GLN 7 HG1 GLN 7 -5.164 9.704 -6.474 47 1HE2 GLN 7 1HE2 GLN 7 -1.857 9.363 -7.469 48 2HE2 GLN 7 2HE2 GLN 7 -2.180 8.836 -9.082 49 H SER 8 HN SER 8 -6.811 10.305 -5.577 50 HA SER 8 HA SER 8 -8.574 11.184 -7.582 51 1HB SER 8 HB2 SER 8 -8.349 8.868 -6.294 52 2HB SER 8 HB1 SER 8 -9.621 9.570 -5.294 53 HG SER 8 HG SER 8 -9.666 9.073 -8.082 54 H GLN 9 HN GLN 9 -8.124 12.146 -4.317 55 HA GLN 9 HA GLN 9 -10.726 13.428 -4.126 56 1HB GLN 9 HB2 GLN 9 -8.420 13.214 -2.191 57 2HB GLN 9 HB1 GLN 9 -9.891 14.117 -1.856 58 1HG GLN 9 HG2 GLN 9 -11.208 12.175 -1.830 59 2HG GLN 9 HG1 GLN 9 -9.937 11.208 -2.580 60 1HE2 GLN 9 1HE2 GLN 9 -11.097 10.260 -0.354 61 2HE2 GLN 9 2HE2 GLN 9 -10.020 10.365 0.993 62 H GLY 10 HN GLY 10 -7.345 14.217 -4.629 63 1HA GLY 10 HA1 GLY 10 -7.989 17.079 -4.576 64 2HA GLY 10 HA2 GLY 10 -7.432 16.388 -6.090 65 H TYR 11 HN TYR 11 -6.092 15.129 -3.135 66 HA TYR 11 HA TYR 11 -3.652 16.670 -3.715 67 1HB TYR 11 HB2 TYR 11 -3.161 16.924 -1.452 68 2HB TYR 11 HB1 TYR 11 -4.893 17.198 -1.551 69 HD1 TYR 11 HD1 TYR 11 -3.281 16.528 0.905 70 HD2 TYR 11 HD2 TYR 11 -5.439 14.084 -1.815 71 HE1 TYR 11 HE1 TYR 11 -3.635 14.881 2.692 72 HE2 TYR 11 HE2 TYR 11 -5.810 12.426 -0.040 73 HH TYR 11 HH TYR 11 -5.841 12.252 2.331 74 H ASN 12 HN ASN 12 -1.631 15.593 -2.707 75 HA ASN 12 HA ASN 12 -1.398 13.034 -3.995 76 1HB ASN 12 HB2 ASN 12 0.860 14.025 -2.354 77 2HB ASN 12 HB1 ASN 12 0.852 13.377 -3.989 78 1HD2 ASN 12 1HD2 ASN 12 1.357 16.076 -2.197 79 2HD2 ASN 12 2HD2 ASN 12 1.117 17.282 -3.410 80 H CYS 13 HN CYS 13 0.215 11.449 -2.785 81 HA CYS 13 HA CYS 13 -1.223 10.594 -0.393 82 1HB CYS 13 HB2 CYS 13 0.878 8.775 -1.132 83 2HB CYS 13 HB1 CYS 13 -0.860 8.512 -1.131 84 H CYS 14 HN CYS 14 0.265 9.460 1.289 85 HA CYS 14 HA CYS 14 2.327 11.417 1.996 86 1HB CYS 14 HB2 CYS 14 0.255 10.286 3.466 87 2HB CYS 14 HB1 CYS 14 1.691 9.456 4.050 88 H ASN 15 HN ASN 15 4.382 10.934 1.753 89 HA ASN 15 HA ASN 15 5.349 8.489 0.826 90 1HB ASN 15 HB2 ASN 15 6.622 10.507 0.490 91 2HB ASN 15 HB1 ASN 15 6.767 10.764 2.226 92 1HD2 ASN 15 1HD2 ASN 15 8.249 9.593 3.395 93 2HD2 ASN 15 2HD2 ASN 15 9.489 8.646 2.653 94 H ASN 16 HN ASN 16 5.032 6.662 1.935 95 HA ASN 16 HA ASN 16 5.487 5.045 3.465 96 1HB ASN 16 HB2 ASN 16 7.396 5.292 4.598 97 2HB ASN 16 HB1 ASN 16 7.431 6.971 4.094 98 1HD2 ASN 16 1HD2 ASN 16 6.995 8.558 5.557 99 2HD2 ASN 16 2HD2 ASN 16 6.782 8.261 7.245 100 HA PRO 17 HA PRO 17 1.645 6.497 5.539 101 1HB PRO 17 HB2 PRO 17 0.265 4.219 5.020 102 2HB PRO 17 HB1 PRO 17 0.376 5.559 3.875 103 1HG PRO 17 HG2 PRO 17 1.917 2.998 3.948 104 2HG PRO 17 HG1 PRO 17 1.213 3.845 2.563 105 1HD PRO 17 HD2 PRO 17 3.843 3.980 3.169 106 2HD PRO 17 HD1 PRO 17 2.966 5.320 2.405 107 H SER 18 HN SER 18 3.632 3.659 5.805 108 HA SER 18 HA SER 18 2.455 2.454 8.049 109 1HB SER 18 HB2 SER 18 5.416 2.343 7.675 110 2HB SER 18 HB1 SER 18 4.285 1.049 8.070 111 HG SER 18 HG SER 18 4.651 0.632 6.008 112 H SER 19 HN SER 19 4.080 5.424 7.813 113 HA SER 19 HA SER 19 4.452 5.453 10.733 114 1HB SER 19 HB2 SER 19 6.492 6.536 10.582 115 2HB SER 19 HB1 SER 19 6.570 5.483 9.169 116 HG SER 19 HG SER 19 6.436 8.221 9.322 117 H THR 20 HN THR 20 3.190 6.981 7.912 118 HA THR 20 HA THR 20 2.918 9.593 8.502 119 HB THR 20 HB THR 20 0.720 7.813 7.411 120 HG1 THR 20 HG1 THR 20 2.603 9.262 5.886 121 1HG2 THR 20 2HG2 THR 20 1.270 10.742 7.174 122 2HG2 THR 20 1HG2 THR 20 0.190 9.857 6.101 123 3HG2 THR 20 3HG2 THR 20 -0.165 9.953 7.826 124 H LYS 21 HN LYS 21 2.473 10.455 10.440 125 HA LYS 21 HA LYS 21 0.818 9.269 12.392 126 1HB LYS 21 HB2 LYS 21 2.575 11.035 12.804 127 2HB LYS 21 HB1 LYS 21 1.448 12.214 12.144 128 1HG LYS 21 HG2 LYS 21 0.388 10.499 14.289 129 2HG LYS 21 HG1 LYS 21 1.657 11.634 14.760 130 1HD LYS 21 HD2 LYS 21 0.277 13.400 13.522 131 2HD LYS 21 HD1 LYS 21 -1.031 12.216 13.551 132 1HE LYS 21 HE2 LYS 21 -1.298 12.361 15.819 133 2HE LYS 21 HE1 LYS 21 0.385 12.808 16.096 134 1HZ LYS 21 HZ3 LYS 21 -1.247 14.720 14.626 135 2HZ LYS 21 HZ2 LYS 21 -1.606 14.534 16.269 136 3HZ LYS 21 HZ1 LYS 21 -0.048 14.988 15.790 137 H VAL 22 HN VAL 22 -1.277 8.899 12.076 138 HA VAL 22 HA VAL 22 -2.855 10.615 10.399 139 HB VAL 22 HB VAL 22 -3.280 7.952 11.706 140 1HG1 VAL 22 3HG1 VAL 22 -5.352 9.894 10.984 141 2HG1 VAL 22 2HG1 VAL 22 -5.572 8.298 10.270 142 3HG1 VAL 22 1HG1 VAL 22 -5.444 8.471 12.020 143 1HG2 VAL 22 3HG2 VAL 22 -2.111 8.238 9.502 144 2HG2 VAL 22 2HG2 VAL 22 -3.495 7.145 9.503 145 3HG2 VAL 22 1HG2 VAL 22 -3.657 8.775 8.847 146 H GLU 23 HN GLU 23 -3.214 12.456 11.472 147 HA GLU 23 HA GLU 23 -4.288 12.368 14.184 148 1HB GLU 23 HB2 GLU 23 -4.359 15.020 13.264 149 2HB GLU 23 HB1 GLU 23 -3.180 14.315 14.360 150 1HG GLU 23 HG2 GLU 23 -1.737 13.763 12.477 151 2HG GLU 23 HG1 GLU 23 -2.930 14.421 11.359 152 H TYR 24 HN TYR 24 -5.297 12.130 11.039 153 HA TYR 24 HA TYR 24 -8.037 12.891 11.817 154 1HB TYR 24 HB2 TYR 24 -7.012 14.741 10.491 155 2HB TYR 24 HB1 TYR 24 -6.840 13.621 9.146 156 HD1 TYR 24 HD1 TYR 24 -9.045 15.848 10.897 157 HD2 TYR 24 HD2 TYR 24 -8.932 12.615 8.134 158 HE1 TYR 24 HE1 TYR 24 -11.331 16.397 10.169 159 HE2 TYR 24 HE2 TYR 24 -11.220 13.152 7.398 160 HH TYR 24 HH TYR 24 -13.324 14.643 8.881 161 H THR 25 HN THR 25 -9.717 11.862 10.655 162 HA THR 25 HA THR 25 -9.209 9.919 8.642 163 HB THR 25 HB THR 25 -10.041 8.797 11.320 164 HG1 THR 25 HG1 THR 25 -8.020 8.535 11.760 165 1HG2 THR 25 3HG2 THR 25 -9.831 7.709 8.615 166 2HG2 THR 25 2HG2 THR 25 -9.041 6.743 9.865 167 3HG2 THR 25 1HG2 THR 25 -10.753 7.140 10.007 168 H ASP 26 HN ASP 26 -11.083 9.245 7.644 169 HA ASP 26 HA ASP 26 -13.659 9.637 8.850 170 1HB ASP 26 HB2 ASP 26 -12.650 11.906 7.797 171 2HB ASP 26 HB1 ASP 26 -13.403 11.224 6.358 172 H ALA 27 HN ALA 27 -14.970 9.937 6.214 173 HA ALA 27 HA ALA 27 -14.894 7.145 5.475 174 1HB ALA 27 HB1 ALA 27 -16.925 7.476 4.469 175 2HB ALA 27 HB2 ALA 27 -16.541 9.126 3.982 176 3HB ALA 27 HB3 ALA 27 -16.950 8.775 5.661 177 H SER 28 HN SER 28 -12.973 9.637 4.640 178 HA SER 28 HA SER 28 -12.744 8.833 1.824 179 1HB SER 28 HB2 SER 28 -11.053 11.065 2.608 180 2HB SER 28 HB1 SER 28 -12.278 10.979 1.343 181 HG SER 28 HG SER 28 -13.074 12.432 2.749 182 H GLY 29 HN GLY 29 -11.529 7.927 4.686 183 1HA GLY 29 HA1 GLY 29 -8.889 7.307 3.521 184 2HA GLY 29 HA2 GLY 29 -9.752 6.267 4.649 185 H GLN 30 HN GLN 30 -7.112 7.012 5.136 186 HA GLN 30 HA GLN 30 -7.494 8.618 7.553 187 1HB GLN 30 HB2 GLN 30 -5.376 6.657 6.693 188 2HB GLN 30 HB1 GLN 30 -5.180 7.686 8.104 189 1HG GLN 30 HG2 GLN 30 -7.246 6.717 9.044 190 2HG GLN 30 HG1 GLN 30 -7.325 5.629 7.659 191 1HE2 GLN 30 1HE2 GLN 30 -5.435 4.223 7.326 192 2HE2 GLN 30 2HE2 GLN 30 -4.620 3.603 8.717 193 H TRP 31 HN TRP 31 -6.215 10.396 8.036 194 HA TRP 31 HA TRP 31 -4.467 11.376 5.882 195 1HB TRP 31 HB2 TRP 31 -6.342 13.124 7.480 196 2HB TRP 31 HB1 TRP 31 -5.314 13.624 6.145 197 HD1 TRP 31 HD1 TRP 31 -8.135 10.969 6.575 198 HE1 TRP 31 HE1 TRP 31 -9.669 11.124 4.515 199 HE3 TRP 31 HE3 TRP 31 -5.711 14.691 4.049 200 HZ2 TRP 31 HZ2 TRP 31 -9.826 12.634 2.121 201 HZ3 TRP 31 HZ3 TRP 31 -6.605 15.424 1.876 202 HH2 TRP 31 HH2 TRP 31 -8.620 14.426 0.937 203 H GLY 32 HN GLY 32 -2.562 12.247 6.537 204 1HA GLY 32 HA1 GLY 32 -1.151 11.673 8.648 205 2HA GLY 32 HA2 GLY 32 -2.211 12.865 9.383 206 H VAL 33 HN VAL 33 -0.019 13.821 9.811 207 HA VAL 33 HA VAL 33 0.683 15.613 7.583 208 HB VAL 33 HB VAL 33 1.087 16.049 10.548 209 1HG1 VAL 33 2HG1 VAL 33 2.830 17.095 9.145 210 2HG1 VAL 33 1HG1 VAL 33 1.570 17.942 8.247 211 3HG1 VAL 33 3HG1 VAL 33 1.812 18.285 9.959 212 1HG2 VAL 33 2HG2 VAL 33 -1.270 16.178 9.839 213 2HG2 VAL 33 1HG2 VAL 33 -0.642 17.738 10.366 214 3HG2 VAL 33 3HG2 VAL 33 -0.829 17.400 8.646 215 H GLN 34 HN GLN 34 2.344 14.634 6.555 216 HA GLN 34 HA GLN 34 4.690 13.935 8.195 217 1HB GLN 34 HB2 GLN 34 3.393 12.110 6.780 218 2HB GLN 34 HB1 GLN 34 4.346 12.784 5.462 219 1HG GLN 34 HG2 GLN 34 6.271 11.916 6.228 220 2HG GLN 34 HG1 GLN 34 5.835 12.159 7.919 221 1HE2 GLN 34 1HE2 GLN 34 4.868 10.217 5.118 222 2HE2 GLN 34 2HE2 GLN 34 4.623 8.749 5.998 223 H ASN 35 HN ASN 35 6.421 15.155 7.866 224 HA ASN 35 HA ASN 35 7.884 16.624 6.933 225 1HB ASN 35 HB2 ASN 35 6.780 15.184 4.590 226 2HB ASN 35 HB1 ASN 35 7.578 16.717 4.249 227 1HD2 ASN 35 1HD2 ASN 35 8.306 13.924 3.634 228 2HD2 ASN 35 2HD2 ASN 35 9.900 13.717 4.268 229 H GLY 36 HN GLY 36 5.422 17.558 7.908 230 1HA GLY 36 HA1 GLY 36 5.401 20.187 6.914 231 2HA GLY 36 HA2 GLY 36 4.170 19.483 7.953 232 H GLN 37 HN GLN 37 3.642 17.348 5.957 233 HA GLN 37 HA GLN 37 2.035 18.966 4.097 234 1HB GLN 37 HB2 GLN 37 3.548 16.419 3.488 235 2HB GLN 37 HB1 GLN 37 2.378 17.159 2.403 236 1HG GLN 37 HG2 GLN 37 3.751 18.982 1.966 237 2HG GLN 37 HG1 GLN 37 4.741 18.700 3.399 238 1HE2 GLN 37 1HE2 GLN 37 3.695 16.617 0.725 239 2HE2 GLN 37 2HE2 GLN 37 5.283 16.120 0.262 240 H TRP 38 HN TRP 38 -0.056 18.338 3.809 241 HA TRP 38 HA TRP 38 -1.080 16.284 5.585 242 1HB TRP 38 HB2 TRP 38 -2.074 18.622 5.294 243 2HB TRP 38 HB1 TRP 38 -2.620 18.084 3.712 244 HD1 TRP 38 HD1 TRP 38 -5.114 17.838 3.933 245 HE1 TRP 38 HE1 TRP 38 -6.731 16.649 5.551 246 HE3 TRP 38 HE3 TRP 38 -1.735 16.216 7.402 247 HZ2 TRP 38 HZ2 TRP 38 -6.580 15.217 7.978 248 HZ3 TRP 38 HZ3 TRP 38 -2.554 14.938 9.340 249 HH2 TRP 38 HH2 TRP 38 -4.927 14.453 9.620 250 H CYS 39 HN CYS 39 -0.757 14.294 4.719 251 HA CYS 39 HA CYS 39 -1.811 13.838 2.011 252 1HB CYS 39 HB2 CYS 39 0.133 11.961 2.165 253 2HB CYS 39 HB1 CYS 39 0.327 13.517 1.381 254 H GLY 40 HN GLY 40 -2.907 11.965 1.664 255 1HA GLY 40 HA1 GLY 40 -4.281 10.216 2.245 256 2HA GLY 40 HA2 GLY 40 -4.038 10.665 3.927 257 H ILE 41 HN ILE 41 -4.043 8.349 4.300 258 HA ILE 41 HA ILE 41 -1.334 7.294 4.182 259 HB ILE 41 HB ILE 41 -3.565 5.797 5.455 260 1HG1 ILE 41 2HG1 ILE 41 -3.987 8.077 6.181 261 2HG1 ILE 41 1HG1 ILE 41 -3.366 7.110 7.506 262 1HG2 ILE 41 2HG2 ILE 41 -0.649 6.107 5.839 263 2HG2 ILE 41 1HG2 ILE 41 -1.657 5.600 7.196 264 3HG2 ILE 41 3HG2 ILE 41 -1.631 4.646 5.714 265 1HD1 ILE 41 3HD1 ILE 41 -1.709 8.988 5.849 266 2HD1 ILE 41 2HD1 ILE 41 -2.437 9.397 7.404 267 3HD1 ILE 41 1HD1 ILE 41 -1.211 8.129 7.307 268 H ASP 42 HN ASP 42 -0.969 6.474 2.159 269 HA ASP 42 HA ASP 42 -2.783 4.330 1.253 270 1HB ASP 42 HB2 ASP 42 -1.468 6.547 -0.231 271 2HB ASP 42 HB1 ASP 42 -1.559 4.986 -1.039 272 H TYR 43 HN TYR 43 -1.814 2.474 1.812 273 HA TYR 43 HA TYR 43 1.068 2.209 1.770 274 1HB TYR 43 HB2 TYR 43 -0.690 -0.145 2.245 275 2HB TYR 43 HB1 TYR 43 0.814 0.312 3.036 276 HD1 TYR 43 HD1 TYR 43 -2.826 0.810 2.978 277 HD2 TYR 43 HD2 TYR 43 0.815 1.771 4.957 278 HE1 TYR 43 HE1 TYR 43 -4.101 1.699 4.882 279 HE2 TYR 43 HE2 TYR 43 -0.450 2.663 6.865 280 HH TYR 43 HH TYR 43 -3.212 2.035 7.698 281 H SER 44 HN SER 44 -0.930 2.255 -0.712 282 HA SER 44 HA SER 44 0.763 0.566 -2.301 283 1HB SER 44 HB2 SER 44 -2.052 -0.208 -2.709 284 2HB SER 44 HB1 SER 44 -0.593 -1.197 -2.728 285 HG SER 44 HG SER 44 -2.115 -0.348 -0.504 286 H TYR 45 HN TYR 45 0.473 3.254 -2.529 287 HA TYR 45 HA TYR 45 -1.560 3.827 -4.484 288 1HB TYR 45 HB2 TYR 45 -0.975 6.074 -4.330 289 2HB TYR 45 HB1 TYR 45 -0.711 5.453 -2.713 290 HD1 TYR 45 HD1 TYR 45 1.072 6.412 -1.660 291 HD2 TYR 45 HD2 TYR 45 1.332 5.726 -5.840 292 HE1 TYR 45 HE1 TYR 45 3.331 7.382 -1.675 293 HE2 TYR 45 HE2 TYR 45 3.580 6.659 -5.870 294 HH TYR 45 HH TYR 45 4.867 8.422 -4.315 295 H GLY 46 HN GLY 46 1.151 2.116 -4.789 296 1HA GLY 46 HA1 GLY 46 1.341 2.813 -7.624 297 2HA GLY 46 HA2 GLY 46 1.885 1.313 -6.890 298 H GLN 47 HN GLN 47 3.646 1.822 -5.094 299 HA GLN 47 HA GLN 47 5.522 3.811 -6.156 300 1HB GLN 47 HB2 GLN 47 5.456 2.348 -3.509 301 2HB GLN 47 HB1 GLN 47 6.729 3.463 -3.994 302 1HG GLN 47 HG2 GLN 47 5.445 5.294 -3.670 303 2HG GLN 47 HG1 GLN 47 3.959 4.470 -4.144 304 1HE2 GLN 47 1HE2 GLN 47 5.148 6.049 -1.697 305 2HE2 GLN 47 2HE2 GLN 47 4.516 5.162 -0.356 306 H ASN 48 HN ASN 48 7.847 3.189 -6.158 307 HA ASN 48 HA ASN 48 8.300 0.956 -7.767 308 1HB ASN 48 HB2 ASN 48 9.777 3.133 -6.993 309 2HB ASN 48 HB1 ASN 48 10.622 1.816 -6.185 310 1HD2 ASN 48 1HD2 ASN 48 11.634 0.237 -7.407 311 2HD2 ASN 48 2HD2 ASN 48 11.948 0.436 -9.095 312 H GLN 49 HN GLN 49 9.928 -0.801 -7.215 313 HA GLN 49 HA GLN 49 8.982 -2.150 -4.817 314 1HB GLN 49 HB2 GLN 49 9.080 -3.967 -6.106 315 2HB GLN 49 HB1 GLN 49 9.645 -2.969 -7.433 316 1HG GLN 49 HG2 GLN 49 11.380 -4.421 -5.441 317 2HG GLN 49 HG1 GLN 49 11.058 -4.909 -7.100 318 1HE2 GLN 49 1HE2 GLN 49 13.581 -4.256 -5.745 319 2HE2 GLN 49 2HE2 GLN 49 14.306 -3.005 -6.689 320 H GLY 50 HN GLY 50 10.926 0.129 -4.765 321 1HA GLY 50 HA1 GLY 50 12.866 0.739 -3.713 322 2HA GLY 50 HA2 GLY 50 13.498 -0.853 -4.100 323 H ASN 51 HN ASN 51 10.630 -1.232 -2.427 324 HA ASN 51 HA ASN 51 10.284 -2.262 -0.406 325 1HB ASN 51 HB2 ASN 51 12.936 -2.720 -0.689 326 2HB ASN 51 HB1 ASN 51 12.947 -1.687 0.736 327 1HD2 ASN 51 1HD2 ASN 51 10.569 -2.445 1.917 328 2HD2 ASN 51 2HD2 ASN 51 10.696 -4.085 2.445 329 H GLU 52 HN GLU 52 9.255 0.075 -0.667 330 HA GLU 52 HA GLU 52 10.230 1.915 1.363 331 1HB GLU 52 HB2 GLU 52 8.255 2.045 -0.857 332 2HB GLU 52 HB1 GLU 52 7.998 3.111 0.517 333 1HG GLU 52 HG2 GLU 52 10.591 2.968 -0.993 334 2HG GLU 52 HG1 GLU 52 9.289 4.086 -1.398 335 H SER 53 HN SER 53 7.703 -0.441 0.908 336 HA SER 53 HA SER 53 7.006 -0.259 3.702 337 1HB SER 53 HB2 SER 53 5.568 1.421 2.256 338 2HB SER 53 HB1 SER 53 4.664 -0.040 1.858 339 HG SER 53 HG SER 53 4.166 1.346 3.873 340 H CYS 54 HN CYS 54 5.376 -1.936 4.316 341 HA CYS 54 HA CYS 54 5.399 -4.222 2.474 342 1HB CYS 54 HB2 CYS 54 6.666 -5.445 3.845 343 2HB CYS 54 HB1 CYS 54 6.900 -4.025 4.850 344 H THR 55 HN THR 55 3.780 -5.928 3.151 345 HA THR 55 HA THR 55 1.284 -4.587 3.801 346 HB THR 55 HB THR 55 1.898 -7.345 2.738 347 HG1 THR 55 HG1 THR 55 1.878 -6.276 0.951 348 1HG2 THR 55 1HG2 THR 55 -0.798 -6.108 3.239 349 2HG2 THR 55 3HG2 THR 55 -0.507 -7.574 2.300 350 3HG2 THR 55 2HG2 THR 55 -0.130 -7.540 4.023 351 H GLY 56 HN GLY 56 -0.281 -5.690 5.231 352 1HA GLY 56 HA1 GLY 56 0.728 -7.559 7.167 353 2HA GLY 56 HA2 GLY 56 -0.863 -6.811 7.167 354 H ASN 57 HN ASN 57 0.874 -4.188 6.876 355 HA ASN 57 HA ASN 57 2.013 -3.974 9.509 356 1HB ASN 57 HB2 ASN 57 2.175 -1.480 8.806 357 2HB ASN 57 HB1 ASN 57 3.181 -2.667 7.988 358 1HD2 ASN 57 1HD2 ASN 57 -0.255 -2.348 7.358 359 2HD2 ASN 57 2HD2 ASN 57 -0.089 -1.704 5.768 360 H GLY 58 HN GLY 58 -1.099 -4.106 8.624 361 1HA GLY 58 HA1 GLY 58 -3.019 -2.877 9.267 362 2HA GLY 58 HA2 GLY 58 -2.011 -1.905 10.327 363 H SER 59 HN SER 59 -1.119 -5.069 10.793 364 HA SER 59 HA SER 59 -2.448 -5.154 13.339 365 1HB SER 59 HB2 SER 59 -3.029 -7.523 11.598 366 2HB SER 59 HB1 SER 59 -3.882 -6.956 13.035 367 HG SER 59 HG SER 59 -4.322 -6.361 10.437 368 H TYR 60 HN TYR 60 -1.078 -7.568 11.093 369 HA TYR 60 HA TYR 60 0.604 -8.581 13.246 370 1HB TYR 60 HB2 TYR 60 0.981 -9.843 10.641 371 2HB TYR 60 HB1 TYR 60 0.531 -10.562 12.182 372 HD1 TYR 60 HD1 TYR 60 -0.703 -9.127 9.054 373 HD2 TYR 60 HD2 TYR 60 -1.812 -10.882 12.765 374 HE1 TYR 60 HE1 TYR 60 -2.983 -9.469 8.200 375 HE2 TYR 60 HE2 TYR 60 -4.098 -11.230 11.925 376 HH TYR 60 HH TYR 60 -5.248 -9.776 9.069 377 HA PRO 61 HA PRO 61 4.374 -6.967 11.553 378 1HB PRO 61 HB2 PRO 61 6.180 -8.898 11.828 379 2HB PRO 61 HB1 PRO 61 5.320 -8.263 13.236 380 1HG PRO 61 HG2 PRO 61 4.896 -10.813 11.746 381 2HG PRO 61 HG1 PRO 61 4.774 -10.495 13.485 382 1HD PRO 61 HD2 PRO 61 2.640 -10.608 11.666 383 2HD PRO 61 HD1 PRO 61 2.577 -9.951 13.312 384 H CYS 62 HN CYS 62 6.234 -7.236 10.011 385 HA CYS 62 HA CYS 62 5.278 -7.868 7.399 386 1HB CYS 62 HB2 CYS 62 7.923 -6.957 8.512 387 2HB CYS 62 HB1 CYS 62 7.739 -7.361 6.812 388 H CYS 63 HN CYS 63 6.432 -9.333 5.884 389 HA CYS 63 HA CYS 63 7.101 -11.834 7.246 390 1HB CYS 63 HB2 CYS 63 5.707 -11.142 4.814 391 2HB CYS 63 HB1 CYS 63 7.018 -12.257 4.464 392 H ASN 64 HN ASN 64 8.173 -10.365 4.217 393 HA ASN 64 HA ASN 64 10.394 -9.569 3.820 394 1HB ASN 64 HB2 ASN 64 11.154 -10.266 6.121 395 2HB ASN 64 HB1 ASN 64 11.362 -11.897 5.490 396 1HD2 ASN 64 1HD2 ASN 64 12.886 -12.206 3.766 397 2HD2 ASN 64 2HD2 ASN 64 14.255 -11.161 3.636 398 H THR 65 HN THR 65 8.755 -12.480 3.498 399 HA THR 65 HA THR 65 10.558 -13.510 1.441 400 HB THR 65 HB THR 65 9.663 -15.052 3.172 401 HG1 THR 65 HG1 THR 65 10.186 -15.854 1.093 402 1HG2 THR 65 2HG2 THR 65 7.388 -13.902 3.269 403 2HG2 THR 65 1HG2 THR 65 6.994 -14.854 1.835 404 3HG2 THR 65 3HG2 THR 65 7.427 -15.665 3.341 405 H CYS 66 HN CYS 66 9.864 -13.862 -0.694 406 HA CYS 66 HA CYS 66 7.663 -12.120 -1.508 407 1HB CYS 66 HB2 CYS 66 9.625 -13.513 -3.328 408 2HB CYS 66 HB1 CYS 66 8.606 -12.126 -3.696 409 H GLN 67 HN GLN 67 7.260 -14.746 -0.268 410 HA GLN 67 HA GLN 67 5.951 -16.182 -2.473 411 1HB GLN 67 HB2 GLN 67 7.318 -17.779 -1.539 412 2HB GLN 67 HB1 GLN 67 7.268 -17.048 0.054 413 1HG GLN 67 HG2 GLN 67 4.678 -18.090 -0.683 414 2HG GLN 67 HG1 GLN 67 5.926 -19.325 -0.808 415 1HE2 GLN 67 1HE2 GLN 67 5.894 -16.604 1.425 416 2HE2 GLN 67 2HE2 GLN 67 5.773 -17.552 2.864 417 H ALA 68 HN ALA 68 4.055 -15.011 -2.538 418 HA ALA 68 HA ALA 68 2.516 -14.597 -0.130 419 1HB ALA 68 HB2 ALA 68 2.588 -13.453 -2.766 420 2HB ALA 68 HB1 ALA 68 0.939 -13.895 -2.318 421 3HB ALA 68 HB3 ALA 68 1.878 -12.822 -1.282 422 H THR 69 HN THR 69 1.887 -16.550 0.567 423 HA THR 69 HA THR 69 0.775 -18.566 -1.096 424 HB THR 69 HB THR 69 1.630 -19.533 0.786 425 HG1 THR 69 HG1 THR 69 -0.947 -18.981 1.816 426 1HG2 THR 69 3HG2 THR 69 0.654 -17.149 2.317 427 2HG2 THR 69 2HG2 THR 69 1.249 -18.613 3.106 428 3HG2 THR 69 1HG2 THR 69 2.315 -17.684 2.047 429 H TYR 70 HN TYR 70 -0.553 -15.759 0.439 430 HA TYR 70 HA TYR 70 -3.123 -16.373 -0.725 431 1HB TYR 70 HB2 TYR 70 -4.366 -16.720 1.150 432 2HB TYR 70 HB1 TYR 70 -2.833 -17.332 1.755 433 HD1 TYR 70 HD1 TYR 70 -4.846 -14.190 1.611 434 HD2 TYR 70 HD2 TYR 70 -1.987 -16.504 3.750 435 HE1 TYR 70 HE1 TYR 70 -4.957 -12.593 3.474 436 HE2 TYR 70 HE2 TYR 70 -2.087 -14.910 5.618 437 HH TYR 70 HH TYR 70 -2.701 -12.604 6.041 438 H THR 71 HN THR 71 -4.309 -14.589 -1.199 439 HA THR 71 HA THR 71 -3.251 -11.996 -0.280 440 HB THR 71 HB THR 71 -4.303 -12.726 -3.018 441 HG1 THR 71 HG1 THR 71 -2.210 -13.211 -3.026 442 1HG2 THR 71 3HG2 THR 71 -4.978 -10.417 -2.180 443 2HG2 THR 71 2HG2 THR 71 -3.258 -10.029 -2.247 444 3HG2 THR 71 1HG2 THR 71 -4.111 -10.509 -3.714 445 H ASP 72 HN ASP 72 -4.686 -10.560 0.486 446 HA ASP 72 HA ASP 72 -7.533 -11.279 0.301 447 1HB ASP 72 HB2 ASP 72 -5.934 -11.081 2.613 448 2HB ASP 72 HB1 ASP 72 -6.966 -9.654 2.616 449 H GLY 73 HN GLY 73 -8.606 -9.039 1.489 450 1HA GLY 73 HA1 GLY 73 -9.420 -6.990 0.852 451 2HA GLY 73 HA2 GLY 73 -8.588 -7.206 -0.678 452 H ASP 74 HN ASP 74 -6.267 -7.558 1.671 453 HA ASP 74 HA ASP 74 -5.657 -4.675 1.607 454 1HB ASP 74 HB2 ASP 74 -5.586 -6.644 3.781 455 2HB ASP 74 HB1 ASP 74 -4.120 -5.677 3.653 456 H GLY 75 HN GLY 75 -4.898 -7.242 -0.066 457 1HA GLY 75 HA1 GLY 75 -2.023 -6.578 -0.161 458 2HA GLY 75 HA2 GLY 75 -2.982 -7.001 -1.573 459 H ASP 76 HN ASP 76 -0.727 -8.376 -1.258 460 HA ASP 76 HA ASP 76 -1.675 -11.053 -0.939 461 1HB ASP 76 HB2 ASP 76 1.242 -10.397 -1.149 462 2HB ASP 76 HB1 ASP 76 0.350 -11.746 -1.841 463 H TRP 77 HN TRP 77 -0.335 -12.652 0.366 464 HA TRP 77 HA TRP 77 0.759 -11.615 2.839 465 1HB TRP 77 HB2 TRP 77 -1.672 -13.413 2.871 466 2HB TRP 77 HB1 TRP 77 -0.789 -12.832 4.279 467 HD1 TRP 77 HD1 TRP 77 -3.214 -11.610 1.559 468 HE1 TRP 77 HE1 TRP 77 -4.292 -9.420 2.355 469 HE3 TRP 77 HE3 TRP 77 -0.453 -10.840 5.791 470 HZ2 TRP 77 HZ2 TRP 77 -4.014 -7.608 4.488 471 HZ3 TRP 77 HZ3 TRP 77 -0.927 -8.847 7.154 472 HH2 TRP 77 HH2 TRP 77 -2.671 -7.264 6.515 473 H ALA 78 HN ALA 78 1.691 -13.308 4.195 474 HA ALA 78 HA ALA 78 2.015 -15.914 2.994 475 1HB ALA 78 HB1 ALA 78 4.405 -14.119 3.360 476 2HB ALA 78 HB3 ALA 78 4.438 -15.805 2.845 477 3HB ALA 78 HB2 ALA 78 3.688 -14.584 1.816 478 H PHE 79 HN PHE 79 3.090 -17.434 4.354 479 HA PHE 79 HA PHE 79 2.925 -16.709 7.197 480 1HB PHE 79 HB2 PHE 79 1.513 -18.600 6.416 481 2HB PHE 79 HB1 PHE 79 2.970 -19.456 5.922 482 HD1 PHE 79 HD1 PHE 79 3.384 -21.224 7.318 483 HD2 PHE 79 HD2 PHE 79 2.011 -17.561 8.993 484 HE1 PHE 79 HE1 PHE 79 3.580 -22.186 9.575 485 HE2 PHE 79 HE2 PHE 79 2.205 -18.516 11.252 486 HZ PHE 79 HZ PHE 79 2.991 -20.831 11.545 487 H GLU 80 HN GLU 80 4.853 -16.075 7.952 488 HA GLU 80 HA GLU 80 7.155 -17.820 7.451 489 1HB GLU 80 HB2 GLU 80 7.490 -16.069 5.877 490 2HB GLU 80 HB1 GLU 80 7.037 -14.837 7.043 491 1HG GLU 80 HG2 GLU 80 9.396 -14.768 6.698 492 2HG GLU 80 HG1 GLU 80 9.072 -15.350 8.330 493 H ASN 81 HN ASN 81 8.733 -17.829 9.081 494 HA ASN 81 HA ASN 81 9.450 -17.847 11.239 495 1HB ASN 81 HB2 ASN 81 8.205 -15.090 11.198 496 2HB ASN 81 HB1 ASN 81 9.240 -15.694 12.489 497 1HD2 ASN 81 1HD2 ASN 81 11.228 -16.944 11.231 498 2HD2 ASN 81 2HD2 ASN 81 12.104 -15.857 10.213 499 H GLY 82 HN GLY 82 6.792 -18.900 10.619 500 1HA GLY 82 HA1 GLY 82 5.921 -19.492 13.223 501 2HA GLY 82 HA2 GLY 82 5.016 -19.809 11.750 502 H ASN 83 HN ASN 83 4.913 -17.003 10.960 503 HA ASN 83 HA ASN 83 2.723 -16.210 12.718 504 1HB ASN 83 HB2 ASN 83 3.530 -13.908 12.900 505 2HB ASN 83 HB1 ASN 83 4.689 -15.031 13.602 506 1HD2 ASN 83 1HD2 ASN 83 6.576 -14.046 13.325 507 2HD2 ASN 83 2HD2 ASN 83 7.204 -13.498 11.811 508 H TRP 84 HN TRP 84 1.244 -14.730 11.765 509 HA TRP 84 HA TRP 84 1.114 -14.992 8.880 510 1HB TRP 84 HB2 TRP 84 -0.777 -14.246 11.049 511 2HB TRP 84 HB1 TRP 84 -1.085 -13.566 9.454 512 HD1 TRP 84 HD1 TRP 84 -2.445 -16.175 11.310 513 HE1 TRP 84 HE1 TRP 84 -3.123 -18.220 9.900 514 HE3 TRP 84 HE3 TRP 84 0.258 -15.183 7.084 515 HZ2 TRP 84 HZ2 TRP 84 -2.585 -19.273 7.337 516 HZ3 TRP 84 HZ3 TRP 84 0.121 -16.759 5.200 517 HH2 TRP 84 HH2 TRP 84 -1.271 -18.761 5.325 518 H CYS 85 HN CYS 85 2.644 -13.636 8.039 519 HA CYS 85 HA CYS 85 2.423 -10.779 8.699 520 1HB CYS 85 HB2 CYS 85 4.674 -10.844 7.242 521 2HB CYS 85 HB1 CYS 85 4.658 -11.114 8.979 522 H GLY 86 HN GLY 86 2.920 -9.287 6.804 523 1HA GLY 86 HA1 GLY 86 1.597 -8.526 4.966 524 2HA GLY 86 HA2 GLY 86 1.286 -10.200 4.535 525 H ILE 87 HN ILE 87 1.913 -9.373 2.357 526 HA ILE 87 HA ILE 87 4.691 -9.993 1.906 527 HB ILE 87 HB ILE 87 2.376 -9.467 0.071 528 1HG1 ILE 87 2HG1 ILE 87 2.288 -11.702 0.521 529 2HG1 ILE 87 1HG1 ILE 87 3.448 -11.747 -0.798 530 1HG2 ILE 87 1HG2 ILE 87 5.278 -9.643 -0.709 531 2HG2 ILE 87 3HG2 ILE 87 3.945 -9.887 -1.836 532 3HG2 ILE 87 2HG2 ILE 87 4.149 -8.330 -1.035 533 1HD1 ILE 87 2HD1 ILE 87 5.218 -11.606 1.072 534 2HD1 ILE 87 1HD1 ILE 87 3.898 -12.123 2.122 535 3HD1 ILE 87 3HD1 ILE 87 4.394 -13.133 0.765 536 H LYS 88 HN LYS 88 6.182 -8.745 0.880 537 HA LYS 88 HA LYS 88 6.117 -5.964 1.591 538 1HB LYS 88 HB2 LYS 88 8.273 -7.240 -0.055 539 2HB LYS 88 HB1 LYS 88 8.406 -5.957 1.139 540 1HG LYS 88 HG2 LYS 88 7.518 -8.639 2.072 541 2HG LYS 88 HG1 LYS 88 9.212 -8.419 1.638 542 1HD LYS 88 HD2 LYS 88 9.567 -7.515 3.636 543 2HD LYS 88 HD1 LYS 88 8.518 -6.177 3.177 544 1HE LYS 88 HE2 LYS 88 7.921 -8.583 4.826 545 2HE LYS 88 HE1 LYS 88 7.532 -6.893 5.119 546 1HZ LYS 88 HZ2 LYS 88 5.957 -7.114 3.177 547 2HZ LYS 88 HZ1 LYS 88 6.167 -8.786 3.305 548 3HZ LYS 88 HZ3 LYS 88 5.516 -7.913 4.598 549 H ASN 89 HN ASN 89 6.071 -4.208 0.253 550 HA ASN 89 HA ASN 89 4.696 -4.428 -2.188 551 1HB ASN 89 HB2 ASN 89 4.762 -2.106 -2.283 552 2HB ASN 89 HB1 ASN 89 4.950 -2.401 -0.558 553 1HD2 ASN 89 1HD2 ASN 89 7.563 -3.059 -0.337 554 2HD2 ASN 89 2HD2 ASN 89 8.554 -1.728 -0.808 555 H SER 90 HN SER 90 7.936 -4.999 -1.461 556 HA SER 90 HA SER 90 8.975 -4.302 -4.077 557 1HB SER 90 HB2 SER 90 10.187 -5.458 -1.568 558 2HB SER 90 HB1 SER 90 11.089 -5.362 -3.081 559 HG SER 90 HG SER 90 11.412 -3.337 -2.683 560 H CYS 91 HN CYS 91 8.194 -7.164 -2.171 561 HA CYS 91 HA CYS 91 9.157 -9.044 -4.083 562 1HB CYS 91 HB2 CYS 91 7.384 -9.267 -1.660 563 2HB CYS 91 HB1 CYS 91 7.718 -10.651 -2.693 564 H LYS 92 HN LYS 92 7.905 -7.621 -5.756 565 HA LYS 92 HA LYS 92 5.508 -9.134 -6.456 566 1HB LYS 92 HB2 LYS 92 4.686 -6.747 -7.326 567 2HB LYS 92 HB1 LYS 92 4.301 -7.349 -5.720 568 1HG LYS 92 HG2 LYS 92 5.452 -5.729 -4.723 569 2HG LYS 92 HG1 LYS 92 6.838 -5.936 -5.792 570 1HD LYS 92 HD2 LYS 92 6.142 -3.781 -6.279 571 2HD LYS 92 HD1 LYS 92 5.360 -4.733 -7.545 572 1HE LYS 92 HE2 LYS 92 3.480 -3.698 -6.907 573 2HE LYS 92 HE1 LYS 92 3.504 -4.809 -5.537 574 1HZ LYS 92 HZ3 LYS 92 4.984 -2.274 -5.368 575 2HZ LYS 92 HZ2 LYS 92 3.309 -2.269 -5.141 576 3HZ LYS 92 HZ1 LYS 92 4.296 -3.197 -4.129 577 H GLN 93 HN GLN 93 7.238 -6.305 -7.703 578 HA GLN 93 HA GLN 93 8.221 -7.803 -9.975 579 1HB GLN 93 HB2 GLN 93 6.116 -5.669 -10.218 580 2HB GLN 93 HB1 GLN 93 7.237 -5.989 -11.533 581 1HG GLN 93 HG2 GLN 93 5.405 -8.031 -10.297 582 2HG GLN 93 HG1 GLN 93 5.080 -7.146 -11.786 583 1HE2 GLN 93 1HE2 GLN 93 7.184 -9.494 -10.257 584 2HE2 GLN 93 2HE2 GLN 93 7.751 -10.222 -11.718 585 H GLN 94 HN GLN 94 10.215 -7.109 -10.419 586 HA GLN 94 HA GLN 94 11.411 -4.997 -9.038 587 1HB GLN 94 HB2 GLN 94 12.514 -5.969 -11.647 588 2HB GLN 94 HB1 GLN 94 13.378 -5.465 -10.205 589 1HG GLN 94 HG2 GLN 94 13.580 -7.587 -9.635 590 2HG GLN 94 HG1 GLN 94 11.831 -7.671 -9.441 591 1HE2 GLN 94 1HE2 GLN 94 14.505 -8.244 -11.610 592 2HE2 GLN 94 2HE2 GLN 94 13.666 -9.308 -12.681 593 HA PRO 95 HA PRO 95 11.086 -2.417 -13.129 594 1HB PRO 95 HB2 PRO 95 9.261 -3.272 -14.947 595 2HB PRO 95 HB1 PRO 95 10.945 -3.815 -14.958 596 1HG PRO 95 HG2 PRO 95 8.539 -5.169 -13.771 597 2HG PRO 95 HG1 PRO 95 9.790 -5.858 -14.825 598 1HD PRO 95 HD2 PRO 95 9.851 -6.220 -12.194 599 2HD PRO 95 HD1 PRO 95 11.346 -5.944 -13.110 600 H GLN 96 HN GLN 96 9.809 -1.901 -10.845 601 HA GLN 96 HA GLN 96 6.976 -1.521 -11.281 602 1HB GLN 96 HB2 GLN 96 8.860 -1.021 -9.009 603 2HB GLN 96 HB1 GLN 96 7.293 -0.223 -9.020 604 1HG GLN 96 HG2 GLN 96 7.221 -3.104 -9.563 605 2HG GLN 96 HG1 GLN 96 7.774 -2.657 -7.950 606 1HE2 GLN 96 1HE2 GLN 96 5.109 -3.074 -9.986 607 2HE2 GLN 96 2HE2 GLN 96 3.890 -2.469 -8.922 608 H ASN 97 HN ASN 97 5.929 0.555 -11.178 609 HA ASN 97 HA ASN 97 5.610 2.710 -11.831 610 1HB ASN 97 HB2 ASN 97 7.188 3.229 -10.011 611 2HB ASN 97 HB1 ASN 97 8.537 3.028 -11.126 612 1HD2 ASN 97 1HD2 ASN 97 9.045 4.638 -12.530 613 2HD2 ASN 97 2HD2 ASN 97 8.284 6.190 -12.523 614 H ASN 98 HN ASN 98 5.448 1.515 -13.961 615 HA ASN 98 HA ASN 98 7.608 2.228 -15.810 616 1HB ASN 98 HB2 ASN 98 6.483 0.694 -17.391 617 2HB ASN 98 HB1 ASN 98 6.905 -0.104 -15.879 618 1HD2 ASN 98 1HD2 ASN 98 5.378 -1.212 -14.886 619 2HD2 ASN 98 2HD2 ASN 98 3.683 -1.098 -15.197 620 H ASN 99 HN ASN 99 6.943 2.998 -17.991 621 HA ASN 99 HA ASN 99 5.245 5.285 -17.723 622 1HB ASN 99 HB2 ASN 99 7.394 4.781 -19.259 623 2HB ASN 99 HB1 ASN 99 6.123 4.417 -20.422 624 1HD2 ASN 99 1HD2 ASN 99 4.240 6.177 -20.106 625 2HD2 ASN 99 2HD2 ASN 99 4.812 7.800 -20.259 626 H GLN 100 HN GLN 100 3.202 4.358 -17.251 627 HA GLN 100 HA GLN 100 1.106 3.628 -17.746 628 1HB GLN 100 HB2 GLN 100 1.895 4.081 -20.628 629 2HB GLN 100 HB1 GLN 100 0.263 4.026 -19.975 630 1HG GLN 100 HG2 GLN 100 0.776 6.043 -18.639 631 2HG GLN 100 HG1 GLN 100 2.353 6.120 -19.428 632 1HE2 GLN 100 1HE2 GLN 100 2.234 6.104 -21.868 633 2HE2 GLN 100 2HE2 GLN 100 1.015 7.090 -22.589 No H/Q in entry = 633 Start of MODEL 5 1 H1 ALA 1 HT2 ALA 1 5.378 5.132 -7.949 2 H2 ALA 1 HT1 ALA 1 6.314 3.765 -7.500 3 H3 ALA 1 HT3 ALA 1 4.616 3.756 -7.260 4 HA ALA 1 HA ALA 1 5.436 4.152 -5.195 5 1HB ALA 1 HB1 ALA 1 7.208 6.398 -5.911 6 2HB ALA 1 HB2 ALA 1 7.743 4.794 -6.415 7 3HB ALA 1 HB3 ALA 1 7.417 5.120 -4.713 8 H MET 2 HN MET 2 3.320 5.246 -6.820 9 HA MET 2 HA MET 2 2.443 7.302 -5.086 10 1HB MET 2 HB2 MET 2 2.211 9.048 -6.957 11 2HB MET 2 HB1 MET 2 3.778 8.862 -6.181 12 1HG MET 2 HG2 MET 2 4.529 7.474 -8.051 13 2HG MET 2 HG1 MET 2 2.966 7.698 -8.834 14 1HE MET 2 HE2 MET 2 3.050 10.825 -7.270 15 2HE MET 2 HE1 MET 2 3.364 11.846 -8.675 16 3HE MET 2 HE3 MET 2 2.115 10.603 -8.750 17 H ALA 3 HN ALA 3 0.507 6.413 -4.870 18 HA ALA 3 HA ALA 3 -1.371 6.554 -7.055 19 1HB ALA 3 HB2 ALA 3 -1.659 4.367 -7.515 20 2HB ALA 3 HB3 ALA 3 -1.450 3.885 -5.830 21 3HB ALA 3 HB1 ALA 3 -0.037 4.189 -6.842 22 H CYS 4 HN CYS 4 -0.982 7.739 -4.436 23 HA CYS 4 HA CYS 4 -2.585 6.656 -2.447 24 1HB CYS 4 HB2 CYS 4 -2.732 9.010 -1.588 25 2HB CYS 4 HB1 CYS 4 -1.095 8.455 -1.920 26 H TRP 5 HN TRP 5 -4.686 7.037 -1.778 27 HA TRP 5 HA TRP 5 -6.575 7.428 -3.925 28 1HB TRP 5 HB2 TRP 5 -8.252 6.963 -2.051 29 2HB TRP 5 HB1 TRP 5 -7.135 5.663 -2.455 30 HD1 TRP 5 HD1 TRP 5 -5.670 4.742 -0.535 31 HE1 TRP 5 HE1 TRP 5 -5.321 5.349 1.943 32 HE3 TRP 5 HE3 TRP 5 -8.224 9.130 -0.447 33 HZ2 TRP 5 HZ2 TRP 5 -6.050 7.439 3.704 34 HZ3 TRP 5 HZ3 TRP 5 -8.363 10.389 1.665 35 HH2 TRP 5 HH2 TRP 5 -7.297 9.558 3.699 36 H ALA 6 HN ALA 6 -5.180 9.328 -1.432 37 HA ALA 6 HA ALA 6 -7.282 11.183 -1.032 38 1HB ALA 6 HB2 ALA 6 -4.324 11.648 -0.681 39 2HB ALA 6 HB1 ALA 6 -5.638 12.559 0.060 40 3HB ALA 6 HB3 ALA 6 -5.368 10.877 0.512 41 H GLN 7 HN GLN 7 -4.663 10.964 -3.369 42 HA GLN 7 HA GLN 7 -4.799 13.579 -4.380 43 1HB GLN 7 HB2 GLN 7 -3.678 12.685 -6.370 44 2HB GLN 7 HB1 GLN 7 -2.938 12.088 -4.891 45 1HG GLN 7 HG2 GLN 7 -3.148 10.039 -5.682 46 2HG GLN 7 HG1 GLN 7 -4.898 10.214 -5.549 47 1HE2 GLN 7 1HE2 GLN 7 -2.153 10.328 -7.675 48 2HE2 GLN 7 2HE2 GLN 7 -3.042 10.309 -9.157 49 H SER 8 HN SER 8 -6.770 10.761 -4.949 50 HA SER 8 HA SER 8 -7.994 11.436 -7.349 51 1HB SER 8 HB2 SER 8 -8.248 9.324 -5.812 52 2HB SER 8 HB1 SER 8 -9.606 10.221 -5.132 53 HG SER 8 HG SER 8 -9.277 9.740 -7.907 54 H GLN 9 HN GLN 9 -8.344 12.830 -4.205 55 HA GLN 9 HA GLN 9 -10.726 14.321 -5.026 56 1HB GLN 9 HB2 GLN 9 -9.407 14.371 -2.315 57 2HB GLN 9 HB1 GLN 9 -11.038 14.877 -2.730 58 1HG GLN 9 HG2 GLN 9 -11.076 12.276 -3.506 59 2HG GLN 9 HG1 GLN 9 -9.984 12.215 -2.124 60 1HE2 GLN 9 1HE2 GLN 9 -10.839 12.156 -0.159 61 2HE2 GLN 9 2HE2 GLN 9 -12.497 12.456 0.226 62 H GLY 10 HN GLY 10 -7.329 14.692 -4.323 63 1HA GLY 10 HA1 GLY 10 -7.547 17.611 -4.437 64 2HA GLY 10 HA2 GLY 10 -6.647 16.814 -5.716 65 H TYR 11 HN TYR 11 -6.586 15.531 -2.482 66 HA TYR 11 HA TYR 11 -4.361 16.962 -1.507 67 1HB TYR 11 HB2 TYR 11 -5.660 14.357 -0.781 68 2HB TYR 11 HB1 TYR 11 -4.147 14.828 -0.015 69 HD1 TYR 11 HD1 TYR 11 -7.692 15.745 -0.465 70 HD2 TYR 11 HD2 TYR 11 -4.090 16.533 1.658 71 HE1 TYR 11 HE1 TYR 11 -8.946 17.125 1.138 72 HE2 TYR 11 HE2 TYR 11 -5.333 17.913 3.269 73 HH TYR 11 HH TYR 11 -7.850 19.299 2.946 74 H ASN 12 HN ASN 12 -2.460 15.166 -0.699 75 HA ASN 12 HA ASN 12 -1.397 14.087 -3.226 76 1HB ASN 12 HB2 ASN 12 0.306 15.361 -1.085 77 2HB ASN 12 HB1 ASN 12 0.787 14.898 -2.715 78 1HD2 ASN 12 1HD2 ASN 12 -0.763 17.264 -0.750 79 2HD2 ASN 12 2HD2 ASN 12 -0.960 18.466 -1.975 80 H CYS 13 HN CYS 13 0.462 12.543 -2.827 81 HA CYS 13 HA CYS 13 -0.427 10.506 -1.018 82 1HB CYS 13 HB2 CYS 13 2.087 10.535 -2.682 83 2HB CYS 13 HB1 CYS 13 1.235 9.136 -2.051 84 H CYS 14 HN CYS 14 0.563 9.752 0.808 85 HA CYS 14 HA CYS 14 2.627 11.489 1.959 86 1HB CYS 14 HB2 CYS 14 0.308 10.220 3.031 87 2HB CYS 14 HB1 CYS 14 1.726 9.559 3.834 88 H ASN 15 HN ASN 15 4.627 10.811 1.695 89 HA ASN 15 HA ASN 15 5.392 8.233 0.940 90 1HB ASN 15 HB2 ASN 15 7.588 9.019 1.059 91 2HB ASN 15 HB1 ASN 15 6.640 10.470 0.755 92 1HD2 ASN 15 1HD2 ASN 15 8.550 8.725 3.064 93 2HD2 ASN 15 2HD2 ASN 15 8.730 10.017 4.197 94 H ASN 16 HN ASN 16 5.302 6.425 2.084 95 HA ASN 16 HA ASN 16 5.603 4.928 3.761 96 1HB ASN 16 HB2 ASN 16 7.433 5.319 4.982 97 2HB ASN 16 HB1 ASN 16 7.425 6.978 4.408 98 1HD2 ASN 16 1HD2 ASN 16 6.810 8.600 5.767 99 2HD2 ASN 16 2HD2 ASN 16 6.511 8.363 7.453 100 HA PRO 17 HA PRO 17 1.669 6.774 5.509 101 1HB PRO 17 HB2 PRO 17 0.007 4.904 4.449 102 2HB PRO 17 HB1 PRO 17 0.450 6.392 3.606 103 1HG PRO 17 HG2 PRO 17 1.551 3.631 3.279 104 2HG PRO 17 HG1 PRO 17 1.141 4.826 2.037 105 1HD PRO 17 HD2 PRO 17 3.683 4.387 2.859 106 2HD PRO 17 HD1 PRO 17 3.114 5.978 2.317 107 H SER 18 HN SER 18 3.326 3.766 5.540 108 HA SER 18 HA SER 18 1.661 2.381 7.382 109 1HB SER 18 HB2 SER 18 3.626 1.551 5.794 110 2HB SER 18 HB1 SER 18 4.584 1.802 7.253 111 HG SER 18 HG SER 18 2.288 0.156 6.982 112 H SER 19 HN SER 19 3.733 5.022 7.749 113 HA SER 19 HA SER 19 3.787 4.608 10.663 114 1HB SER 19 HB2 SER 19 6.043 4.529 9.182 115 2HB SER 19 HB1 SER 19 5.945 6.263 9.484 116 HG SER 19 HG SER 19 5.618 5.577 11.772 117 H THR 20 HN THR 20 2.960 6.599 8.032 118 HA THR 20 HA THR 20 3.148 9.164 8.846 119 HB THR 20 HB THR 20 0.882 7.742 7.437 120 HG1 THR 20 HG1 THR 20 1.912 8.731 5.618 121 1HG2 THR 20 2HG2 THR 20 1.354 10.665 7.823 122 2HG2 THR 20 1HG2 THR 20 0.398 10.008 6.496 123 3HG2 THR 20 3HG2 THR 20 -0.100 9.728 8.164 124 H LYS 21 HN LYS 21 2.290 10.442 10.374 125 HA LYS 21 HA LYS 21 0.776 9.303 12.506 126 1HB LYS 21 HB2 LYS 21 2.359 11.098 12.947 127 2HB LYS 21 HB1 LYS 21 1.473 12.180 11.881 128 1HG LYS 21 HG2 LYS 21 0.858 12.810 14.049 129 2HG LYS 21 HG1 LYS 21 -0.502 11.862 13.443 130 1HD LYS 21 HD2 LYS 21 0.408 9.882 14.618 131 2HD LYS 21 HD1 LYS 21 1.681 10.903 15.291 132 1HE LYS 21 HE2 LYS 21 -1.209 11.604 15.654 133 2HE LYS 21 HE1 LYS 21 -0.425 10.431 16.711 134 1HZ LYS 21 HZ3 LYS 21 1.246 12.140 17.234 135 2HZ LYS 21 HZ2 LYS 21 0.384 13.258 16.303 136 3HZ LYS 21 HZ1 LYS 21 -0.316 12.601 17.695 137 H VAL 22 HN VAL 22 -1.321 8.840 12.324 138 HA VAL 22 HA VAL 22 -2.983 10.276 10.462 139 HB VAL 22 HB VAL 22 -3.225 7.728 12.003 140 1HG1 VAL 22 3HG1 VAL 22 -5.498 9.419 11.075 141 2HG1 VAL 22 2HG1 VAL 22 -5.624 7.664 10.957 142 3HG1 VAL 22 1HG1 VAL 22 -5.355 8.425 12.524 143 1HG2 VAL 22 1HG2 VAL 22 -3.496 8.545 9.131 144 2HG2 VAL 22 3HG2 VAL 22 -2.278 7.501 9.862 145 3HG2 VAL 22 2HG2 VAL 22 -3.944 6.942 9.717 146 H GLU 23 HN GLU 23 -3.409 12.214 11.331 147 HA GLU 23 HA GLU 23 -4.587 12.326 14.014 148 1HB GLU 23 HB2 GLU 23 -4.457 14.885 13.454 149 2HB GLU 23 HB1 GLU 23 -3.002 14.024 13.935 150 1HG GLU 23 HG2 GLU 23 -2.204 13.936 11.715 151 2HG GLU 23 HG1 GLU 23 -3.759 14.443 11.058 152 H TYR 24 HN TYR 24 -5.452 11.773 10.944 153 HA TYR 24 HA TYR 24 -8.150 12.886 11.381 154 1HB TYR 24 HB2 TYR 24 -6.611 14.195 9.698 155 2HB TYR 24 HB1 TYR 24 -7.030 12.879 8.608 156 HD1 TYR 24 HD1 TYR 24 -9.510 12.427 8.182 157 HD2 TYR 24 HD2 TYR 24 -8.085 15.990 10.020 158 HE1 TYR 24 HE1 TYR 24 -11.626 13.548 7.629 159 HE2 TYR 24 HE2 TYR 24 -10.198 17.123 9.473 160 HH TYR 24 HH TYR 24 -12.957 15.545 8.590 161 H THR 25 HN THR 25 -9.849 11.784 10.253 162 HA THR 25 HA THR 25 -9.324 9.419 8.745 163 HB THR 25 HB THR 25 -10.488 9.038 11.508 164 HG1 THR 25 HG1 THR 25 -8.327 9.225 11.780 165 1HG2 THR 25 3HG2 THR 25 -10.776 7.468 9.210 166 2HG2 THR 25 2HG2 THR 25 -9.584 6.649 10.221 167 3HG2 THR 25 1HG2 THR 25 -11.176 7.037 10.873 168 H ASP 26 HN ASP 26 -10.739 10.083 7.233 169 HA ASP 26 HA ASP 26 -13.505 10.629 8.061 170 1HB ASP 26 HB2 ASP 26 -11.844 12.040 6.356 171 2HB ASP 26 HB1 ASP 26 -12.846 11.109 5.246 172 H ALA 27 HN ALA 27 -14.567 10.121 5.397 173 HA ALA 27 HA ALA 27 -14.773 7.229 5.618 174 1HB ALA 27 HB1 ALA 27 -16.605 7.456 3.980 175 2HB ALA 27 HB2 ALA 27 -16.278 9.186 3.883 176 3HB ALA 27 HB3 ALA 27 -16.836 8.478 5.398 177 H SER 28 HN SER 28 -12.475 8.916 4.350 178 HA SER 28 HA SER 28 -12.281 7.291 1.900 179 1HB SER 28 HB2 SER 28 -12.388 9.968 1.837 180 2HB SER 28 HB1 SER 28 -10.663 9.782 2.155 181 HG SER 28 HG SER 28 -11.819 9.629 -0.156 182 H GLY 29 HN GLY 29 -11.430 7.062 4.850 183 1HA GLY 29 HA1 GLY 29 -8.655 6.268 4.278 184 2HA GLY 29 HA2 GLY 29 -9.703 5.512 5.473 185 H GLN 30 HN GLN 30 -6.997 7.096 5.456 186 HA GLN 30 HA GLN 30 -7.742 8.937 7.633 187 1HB GLN 30 HB2 GLN 30 -5.185 7.353 7.608 188 2HB GLN 30 HB1 GLN 30 -5.909 8.234 8.946 189 1HG GLN 30 HG2 GLN 30 -7.597 6.611 9.226 190 2HG GLN 30 HG1 GLN 30 -7.209 5.843 7.687 191 1HE2 GLN 30 1HE2 GLN 30 -5.112 4.795 7.516 192 2HE2 GLN 30 2HE2 GLN 30 -4.422 4.062 8.920 193 H TRP 31 HN TRP 31 -6.098 10.607 8.075 194 HA TRP 31 HA TRP 31 -4.408 11.244 5.766 195 1HB TRP 31 HB2 TRP 31 -6.007 13.421 7.080 196 2HB TRP 31 HB1 TRP 31 -5.227 13.420 5.504 197 HD1 TRP 31 HD1 TRP 31 -8.138 11.455 7.179 198 HE1 TRP 31 HE1 TRP 31 -10.004 11.179 5.427 199 HE3 TRP 31 HE3 TRP 31 -5.861 13.733 3.213 200 HZ2 TRP 31 HZ2 TRP 31 -10.448 11.843 2.715 201 HZ3 TRP 31 HZ3 TRP 31 -7.070 13.868 1.076 202 HH2 TRP 31 HH2 TRP 31 -9.315 12.945 0.832 203 H GLY 32 HN GLY 32 -2.430 11.869 6.342 204 1HA GLY 32 HA1 GLY 32 -1.043 11.623 8.478 205 2HA GLY 32 HA2 GLY 32 -2.035 12.956 9.050 206 H VAL 33 HN VAL 33 -0.364 14.387 9.313 207 HA VAL 33 HA VAL 33 0.606 15.612 6.860 208 HB VAL 33 HB VAL 33 1.012 16.505 9.719 209 1HG1 VAL 33 1HG1 VAL 33 2.657 17.332 8.008 210 2HG1 VAL 33 3HG1 VAL 33 1.305 18.114 7.189 211 3HG1 VAL 33 2HG1 VAL 33 1.736 18.592 8.830 212 1HG2 VAL 33 3HG2 VAL 33 -1.027 17.388 7.678 213 2HG2 VAL 33 2HG2 VAL 33 -1.351 16.481 9.155 214 3HG2 VAL 33 1HG2 VAL 33 -0.763 18.141 9.250 215 H GLN 34 HN GLN 34 2.375 14.750 5.992 216 HA GLN 34 HA GLN 34 4.637 14.165 7.783 217 1HB GLN 34 HB2 GLN 34 3.382 12.157 6.669 218 2HB GLN 34 HB1 GLN 34 4.258 12.652 5.226 219 1HG GLN 34 HG2 GLN 34 6.256 11.971 6.031 220 2HG GLN 34 HG1 GLN 34 5.839 12.349 7.702 221 1HE2 GLN 34 1HE2 GLN 34 4.511 10.232 5.186 222 2HE2 GLN 34 2HE2 GLN 34 4.471 8.805 6.162 223 H ASN 35 HN ASN 35 6.213 15.540 7.417 224 HA ASN 35 HA ASN 35 7.847 16.681 6.338 225 1HB ASN 35 HB2 ASN 35 8.523 16.038 4.263 226 2HB ASN 35 HB1 ASN 35 7.398 14.723 4.565 227 1HD2 ASN 35 1HD2 ASN 35 8.165 15.380 2.038 228 2HD2 ASN 35 2HD2 ASN 35 6.832 16.056 1.173 229 H GLY 36 HN GLY 36 5.131 17.667 6.972 230 1HA GLY 36 HA1 GLY 36 5.453 20.289 5.904 231 2HA GLY 36 HA2 GLY 36 4.121 19.734 6.908 232 H GLN 37 HN GLN 37 3.108 17.698 5.302 233 HA GLN 37 HA GLN 37 1.700 19.275 3.339 234 1HB GLN 37 HB2 GLN 37 3.269 16.851 2.443 235 2HB GLN 37 HB1 GLN 37 2.206 17.829 1.442 236 1HG GLN 37 HG2 GLN 37 3.703 19.762 1.818 237 2HG GLN 37 HG1 GLN 37 4.795 18.700 2.706 238 1HE2 GLN 37 1HE2 GLN 37 2.971 18.373 -0.322 239 2HE2 GLN 37 2HE2 GLN 37 4.333 17.947 -1.296 240 H TRP 38 HN TRP 38 -0.362 18.663 3.278 241 HA TRP 38 HA TRP 38 -1.280 16.470 4.851 242 1HB TRP 38 HB2 TRP 38 -2.506 18.629 3.237 243 2HB TRP 38 HB1 TRP 38 -3.470 17.168 3.419 244 HD1 TRP 38 HD1 TRP 38 -3.373 20.343 4.907 245 HE1 TRP 38 HE1 TRP 38 -4.047 20.330 7.391 246 HE3 TRP 38 HE3 TRP 38 -2.836 15.351 5.867 247 HZ2 TRP 38 HZ2 TRP 38 -4.316 18.452 9.481 248 HZ3 TRP 38 HZ3 TRP 38 -3.323 14.527 8.135 249 HH2 TRP 38 HH2 TRP 38 -4.047 16.047 9.902 250 H CYS 39 HN CYS 39 -1.319 14.404 4.256 251 HA CYS 39 HA CYS 39 -2.050 13.725 1.515 252 1HB CYS 39 HB2 CYS 39 -0.092 11.883 1.888 253 2HB CYS 39 HB1 CYS 39 0.121 13.379 0.992 254 H GLY 40 HN GLY 40 -2.865 11.613 1.250 255 1HA GLY 40 HA1 GLY 40 -4.375 10.011 1.984 256 2HA GLY 40 HA2 GLY 40 -4.143 10.588 3.627 257 H ILE 41 HN ILE 41 -4.146 8.298 4.180 258 HA ILE 41 HA ILE 41 -1.431 7.212 4.033 259 HB ILE 41 HB ILE 41 -3.503 5.881 5.688 260 1HG1 ILE 41 2HG1 ILE 41 -4.007 8.223 6.123 261 2HG1 ILE 41 1HG1 ILE 41 -3.214 7.502 7.514 262 1HG2 ILE 41 2HG2 ILE 41 -0.583 6.443 5.855 263 2HG2 ILE 41 1HG2 ILE 41 -1.494 5.970 7.291 264 3HG2 ILE 41 3HG2 ILE 41 -1.435 4.898 5.892 265 1HD1 ILE 41 3HD1 ILE 41 -1.059 8.486 6.493 266 2HD1 ILE 41 2HD1 ILE 41 -2.167 9.508 5.576 267 3HD1 ILE 41 1HD1 ILE 41 -2.182 9.553 7.340 268 H ASP 42 HN ASP 42 -1.046 5.819 2.440 269 HA ASP 42 HA ASP 42 -2.954 3.662 1.945 270 1HB ASP 42 HB2 ASP 42 -2.180 4.168 -0.615 271 2HB ASP 42 HB1 ASP 42 -3.681 4.749 0.094 272 H TYR 43 HN TYR 43 -1.596 2.105 2.739 273 HA TYR 43 HA TYR 43 1.167 1.947 2.352 274 1HB TYR 43 HB2 TYR 43 -0.545 -0.514 2.588 275 2HB TYR 43 HB1 TYR 43 1.063 -0.223 3.244 276 HD1 TYR 43 HD1 TYR 43 -1.753 -1.114 4.508 277 HD2 TYR 43 HD2 TYR 43 0.579 2.444 4.531 278 HE1 TYR 43 HE1 TYR 43 -2.757 -0.477 6.660 279 HE2 TYR 43 HE2 TYR 43 -0.418 3.092 6.683 280 HH TYR 43 HH TYR 43 -1.549 1.632 8.701 281 H SER 44 HN SER 44 -1.494 0.899 0.337 282 HA SER 44 HA SER 44 0.410 -0.200 -1.617 283 1HB SER 44 HB2 SER 44 -2.459 -0.760 -1.004 284 2HB SER 44 HB1 SER 44 -1.902 -0.974 -2.664 285 HG SER 44 HG SER 44 -0.568 -2.119 -0.445 286 H TYR 45 HN TYR 45 0.470 2.490 -1.542 287 HA TYR 45 HA TYR 45 -1.400 3.527 -3.500 288 1HB TYR 45 HB2 TYR 45 -0.805 5.635 -2.813 289 2HB TYR 45 HB1 TYR 45 -0.424 4.727 -1.358 290 HD1 TYR 45 HD1 TYR 45 0.692 7.461 -2.361 291 HD2 TYR 45 HD2 TYR 45 2.136 3.465 -2.539 292 HE1 TYR 45 HE1 TYR 45 3.004 8.303 -2.452 293 HE2 TYR 45 HE2 TYR 45 4.433 4.286 -2.647 294 HH TYR 45 HH TYR 45 5.220 7.528 -3.234 295 H GLY 46 HN GLY 46 0.451 1.488 -4.412 296 1HA GLY 46 HA1 GLY 46 1.887 3.098 -6.425 297 2HA GLY 46 HA2 GLY 46 1.134 1.550 -6.767 298 H GLN 47 HN GLN 47 2.808 1.819 -3.769 299 HA GLN 47 HA GLN 47 5.426 1.349 -4.418 300 1HB GLN 47 HB2 GLN 47 3.842 0.106 -2.162 301 2HB GLN 47 HB1 GLN 47 5.598 0.118 -2.263 302 1HG GLN 47 HG2 GLN 47 5.505 2.607 -2.292 303 2HG GLN 47 HG1 GLN 47 3.773 2.489 -1.983 304 1HE2 GLN 47 1HE2 GLN 47 6.003 3.618 -0.388 305 2HE2 GLN 47 2HE2 GLN 47 5.897 2.842 1.152 306 H ASN 48 HN ASN 48 6.167 -0.035 -5.894 307 HA ASN 48 HA ASN 48 4.854 -2.445 -6.613 308 1HB ASN 48 HB2 ASN 48 7.707 -1.639 -7.207 309 2HB ASN 48 HB1 ASN 48 6.752 -2.839 -8.072 310 1HD2 ASN 48 1HD2 ASN 48 7.233 -1.614 -9.970 311 2HD2 ASN 48 2HD2 ASN 48 6.315 -0.200 -10.347 312 H GLN 49 HN GLN 49 6.337 -4.511 -6.783 313 HA GLN 49 HA GLN 49 6.646 -5.488 -4.153 314 1HB GLN 49 HB2 GLN 49 6.146 -7.206 -5.569 315 2HB GLN 49 HB1 GLN 49 7.059 -6.526 -6.903 316 1HG GLN 49 HG2 GLN 49 8.670 -7.997 -6.525 317 2HG GLN 49 HG1 GLN 49 8.930 -7.315 -4.929 318 1HE2 GLN 49 1HE2 GLN 49 9.395 -9.958 -5.450 319 2HE2 GLN 49 2HE2 GLN 49 8.233 -10.920 -4.607 320 H GLY 50 HN GLY 50 8.675 -3.540 -6.006 321 1HA GLY 50 HA1 GLY 50 10.698 -2.588 -5.422 322 2HA GLY 50 HA2 GLY 50 11.240 -4.207 -5.821 323 H ASN 51 HN ASN 51 9.239 -3.623 -3.030 324 HA ASN 51 HA ASN 51 9.589 -4.287 -0.874 325 1HB ASN 51 HB2 ASN 51 11.184 -5.794 -0.484 326 2HB ASN 51 HB1 ASN 51 11.720 -5.545 -2.137 327 1HD2 ASN 51 1HD2 ASN 51 13.626 -4.497 -2.513 328 2HD2 ASN 51 2HD2 ASN 51 14.710 -4.003 -1.262 329 H GLU 52 HN GLU 52 10.412 -1.599 -2.336 330 HA GLU 52 HA GLU 52 12.190 -0.243 -0.655 331 1HB GLU 52 HB2 GLU 52 11.181 1.814 -1.521 332 2HB GLU 52 HB1 GLU 52 11.457 0.654 -2.814 333 1HG GLU 52 HG2 GLU 52 9.357 1.023 -3.417 334 2HG GLU 52 HG1 GLU 52 8.889 0.090 -1.996 335 H SER 53 HN SER 53 8.887 -1.162 -0.234 336 HA SER 53 HA SER 53 8.884 0.083 2.421 337 1HB SER 53 HB2 SER 53 7.115 0.678 0.235 338 2HB SER 53 HB1 SER 53 6.195 -0.046 1.554 339 HG SER 53 HG SER 53 6.507 1.686 2.711 340 H CYS 54 HN CYS 54 8.221 -1.211 4.050 341 HA CYS 54 HA CYS 54 7.106 -3.835 3.313 342 1HB CYS 54 HB2 CYS 54 8.770 -4.882 4.382 343 2HB CYS 54 HB1 CYS 54 9.583 -3.330 4.503 344 H THR 55 HN THR 55 6.006 -4.926 5.218 345 HA THR 55 HA THR 55 4.160 -3.001 6.392 346 HB THR 55 HB THR 55 4.148 -6.021 6.228 347 HG1 THR 55 HG1 THR 55 3.562 -4.920 4.332 348 1HG2 THR 55 2HG2 THR 55 2.440 -4.217 7.839 349 2HG2 THR 55 1HG2 THR 55 1.652 -5.532 6.962 350 3HG2 THR 55 3HG2 THR 55 2.926 -5.888 8.129 351 H GLY 56 HN GLY 56 3.653 -3.018 8.656 352 1HA GLY 56 HA1 GLY 56 5.419 -4.452 10.450 353 2HA GLY 56 HA2 GLY 56 4.084 -3.409 10.912 354 H ASN 57 HN ASN 57 5.610 -1.539 8.799 355 HA ASN 57 HA ASN 57 7.877 -0.717 10.371 356 1HB ASN 57 HB2 ASN 57 6.612 0.206 7.817 357 2HB ASN 57 HB1 ASN 57 7.763 1.252 8.642 358 1HD2 ASN 57 1HD2 ASN 57 7.623 -0.649 6.151 359 2HD2 ASN 57 2HD2 ASN 57 9.176 -1.406 6.187 360 H GLY 58 HN GLY 58 4.724 -0.395 10.995 361 1HA GLY 58 HA1 GLY 58 3.380 1.293 11.881 362 2HA GLY 58 HA2 GLY 58 4.696 2.434 11.653 363 H SER 59 HN SER 59 5.682 -0.444 13.181 364 HA SER 59 HA SER 59 6.154 0.983 15.630 365 1HB SER 59 HB2 SER 59 3.862 0.293 16.037 366 2HB SER 59 HB1 SER 59 4.257 -1.373 15.612 367 HG SER 59 HG SER 59 4.466 -1.436 17.740 368 H TYR 60 HN TYR 60 5.972 -2.340 14.335 369 HA TYR 60 HA TYR 60 8.437 -3.007 15.749 370 1HB TYR 60 HB2 TYR 60 7.360 -5.118 14.053 371 2HB TYR 60 HB1 TYR 60 7.689 -5.125 15.780 372 HD1 TYR 60 HD1 TYR 60 5.172 -4.939 13.229 373 HD2 TYR 60 HD2 TYR 60 5.929 -4.209 17.349 374 HE1 TYR 60 HE1 TYR 60 2.753 -4.934 13.663 375 HE2 TYR 60 HE2 TYR 60 3.510 -4.199 17.798 376 HH TYR 60 HH TYR 60 1.265 -5.426 15.804 377 HA PRO 61 HA PRO 61 10.938 -3.091 12.090 378 1HB PRO 61 HB2 PRO 61 12.509 -5.224 12.348 379 2HB PRO 61 HB1 PRO 61 12.539 -3.932 13.554 380 1HG PRO 61 HG2 PRO 61 11.230 -6.614 13.679 381 2HG PRO 61 HG1 PRO 61 12.072 -5.716 14.953 382 1HD PRO 61 HD2 PRO 61 9.307 -5.826 14.596 383 2HD PRO 61 HD1 PRO 61 10.175 -4.621 15.565 384 H CYS 62 HN CYS 62 11.666 -4.301 10.128 385 HA CYS 62 HA CYS 62 9.441 -5.608 8.891 386 1HB CYS 62 HB2 CYS 62 12.238 -4.963 7.961 387 2HB CYS 62 HB1 CYS 62 11.086 -5.828 6.952 388 H CYS 63 HN CYS 63 9.777 -7.677 7.637 389 HA CYS 63 HA CYS 63 11.110 -9.625 9.376 390 1HB CYS 63 HB2 CYS 63 8.564 -9.564 8.089 391 2HB CYS 63 HB1 CYS 63 9.484 -10.899 7.409 392 H ASN 64 HN ASN 64 10.240 -9.717 5.964 393 HA ASN 64 HA ASN 64 11.903 -9.438 4.208 394 1HB ASN 64 HB2 ASN 64 14.064 -10.340 4.319 395 2HB ASN 64 HB1 ASN 64 13.807 -9.672 5.921 396 1HD2 ASN 64 1HD2 ASN 64 13.666 -12.664 4.056 397 2HD2 ASN 64 2HD2 ASN 64 14.058 -13.717 5.369 398 H THR 65 HN THR 65 9.817 -11.500 5.366 399 HA THR 65 HA THR 65 10.287 -13.469 3.230 400 HB THR 65 HB THR 65 10.701 -14.530 5.376 401 HG1 THR 65 HG1 THR 65 9.483 -15.675 3.735 402 1HG2 THR 65 1HG2 THR 65 9.077 -12.876 6.587 403 2HG2 THR 65 3HG2 THR 65 7.889 -14.139 6.257 404 3HG2 THR 65 2HG2 THR 65 9.331 -14.510 7.202 405 H CYS 66 HN CYS 66 8.491 -14.178 2.085 406 HA CYS 66 HA CYS 66 6.194 -12.399 2.187 407 1HB CYS 66 HB2 CYS 66 7.098 -12.852 -0.007 408 2HB CYS 66 HB1 CYS 66 6.993 -14.589 0.256 409 H GLN 67 HN GLN 67 6.993 -14.914 3.961 410 HA GLN 67 HA GLN 67 4.543 -16.454 3.784 411 1HB GLN 67 HB2 GLN 67 6.313 -17.875 4.246 412 2HB GLN 67 HB1 GLN 67 7.136 -16.699 5.253 413 1HG GLN 67 HG2 GLN 67 4.649 -17.463 6.471 414 2HG GLN 67 HG1 GLN 67 5.599 -18.889 6.066 415 1HE2 GLN 67 1HE2 GLN 67 6.851 -15.711 6.923 416 2HE2 GLN 67 2HE2 GLN 67 7.616 -16.209 8.389 417 H ALA 68 HN ALA 68 2.956 -15.015 4.395 418 HA ALA 68 HA ALA 68 3.179 -13.664 6.954 419 1HB ALA 68 HB1 ALA 68 2.128 -12.831 4.614 420 2HB ALA 68 HB2 ALA 68 1.688 -12.178 6.192 421 3HB ALA 68 HB3 ALA 68 0.679 -13.411 5.437 422 H THR 69 HN THR 69 3.023 -15.330 8.374 423 HA THR 69 HA THR 69 1.129 -17.380 8.352 424 HB THR 69 HB THR 69 2.791 -17.865 9.841 425 HG1 THR 69 HG1 THR 69 1.060 -18.193 11.131 426 1HG2 THR 69 1HG2 THR 69 2.746 -14.979 10.639 427 2HG2 THR 69 3HG2 THR 69 3.631 -16.207 11.549 428 3HG2 THR 69 2HG2 THR 69 4.043 -15.890 9.861 429 H TYR 70 HN TYR 70 0.812 -14.039 9.223 430 HA TYR 70 HA TYR 70 -2.013 -14.463 9.687 431 1HB TYR 70 HB2 TYR 70 -2.142 -13.872 11.885 432 2HB TYR 70 HB1 TYR 70 -0.538 -14.590 11.902 433 HD1 TYR 70 HD1 TYR 70 1.231 -13.382 12.788 434 HD2 TYR 70 HD2 TYR 70 -2.226 -11.288 11.464 435 HE1 TYR 70 HE1 TYR 70 2.155 -11.293 13.699 436 HE2 TYR 70 HE2 TYR 70 -1.313 -9.195 12.370 437 HH TYR 70 HH TYR 70 1.931 -8.900 13.408 438 H THR 71 HN THR 71 -3.267 -12.717 9.220 439 HA THR 71 HA THR 71 -1.859 -10.273 8.366 440 HB THR 71 HB THR 71 -4.279 -11.586 7.116 441 HG1 THR 71 HG1 THR 71 -2.092 -12.353 6.604 442 1HG2 THR 71 1HG2 THR 71 -4.179 -8.981 7.193 443 2HG2 THR 71 3HG2 THR 71 -2.954 -9.196 5.939 444 3HG2 THR 71 2HG2 THR 71 -4.586 -9.819 5.694 445 H ASP 72 HN ASP 72 -2.639 -8.365 9.083 446 HA ASP 72 HA ASP 72 -5.083 -8.464 10.717 447 1HB ASP 72 HB2 ASP 72 -2.464 -7.807 11.527 448 2HB ASP 72 HB1 ASP 72 -3.351 -6.288 11.479 449 H GLY 73 HN GLY 73 -5.352 -5.772 11.236 450 1HA GLY 73 HA1 GLY 73 -6.457 -3.975 10.326 451 2HA GLY 73 HA2 GLY 73 -6.577 -4.880 8.827 452 H ASP 74 HN ASP 74 -3.354 -4.883 9.522 453 HA ASP 74 HA ASP 74 -2.943 -2.373 8.030 454 1HB ASP 74 HB2 ASP 74 -1.685 -3.396 10.463 455 2HB ASP 74 HB1 ASP 74 -0.517 -2.913 9.236 456 H GLY 75 HN GLY 75 -3.118 -5.490 7.452 457 1HA GLY 75 HA1 GLY 75 -0.729 -5.525 5.716 458 2HA GLY 75 HA2 GLY 75 -2.305 -6.089 5.179 459 H ASP 76 HN ASP 76 0.177 -7.561 5.227 460 HA ASP 76 HA ASP 76 -0.763 -9.853 6.765 461 1HB ASP 76 HB2 ASP 76 1.693 -10.207 5.191 462 2HB ASP 76 HB1 ASP 76 0.209 -11.154 5.198 463 H TRP 77 HN TRP 77 1.017 -11.233 7.803 464 HA TRP 77 HA TRP 77 3.259 -9.744 8.858 465 1HB TRP 77 HB2 TRP 77 1.150 -10.787 10.755 466 2HB TRP 77 HB1 TRP 77 2.632 -9.942 11.190 467 HD1 TRP 77 HD1 TRP 77 -0.849 -9.299 9.698 468 HE1 TRP 77 HE1 TRP 77 -1.351 -6.787 9.859 469 HE3 TRP 77 HE3 TRP 77 3.718 -7.662 11.313 470 HZ2 TRP 77 HZ2 TRP 77 0.001 -4.428 10.574 471 HZ3 TRP 77 HZ3 TRP 77 4.025 -5.256 11.711 472 HH2 TRP 77 HH2 TRP 77 2.203 -3.671 11.348 473 H ALA 78 HN ALA 78 4.740 -11.032 10.079 474 HA ALA 78 HA ALA 78 4.298 -13.895 10.158 475 1HB ALA 78 HB1 ALA 78 5.132 -13.459 7.887 476 2HB ALA 78 HB2 ALA 78 6.224 -14.468 8.832 477 3HB ALA 78 HB3 ALA 78 6.597 -12.762 8.577 478 H PHE 79 HN PHE 79 5.902 -15.048 11.368 479 HA PHE 79 HA PHE 79 7.274 -13.330 13.312 480 1HB PHE 79 HB2 PHE 79 5.599 -15.182 13.994 481 2HB PHE 79 HB1 PHE 79 6.891 -16.306 13.585 482 HD1 PHE 79 HD1 PHE 79 6.734 -13.045 15.399 483 HD2 PHE 79 HD2 PHE 79 7.926 -17.129 15.450 484 HE1 PHE 79 HE1 PHE 79 7.709 -12.728 17.635 485 HE2 PHE 79 HE2 PHE 79 8.902 -16.821 17.687 486 HZ PHE 79 HZ PHE 79 8.794 -14.618 18.783 487 H GLU 80 HN GLU 80 9.290 -12.899 12.666 488 HA GLU 80 HA GLU 80 10.953 -15.154 11.757 489 1HB GLU 80 HB2 GLU 80 10.336 -13.561 9.925 490 2HB GLU 80 HB1 GLU 80 11.186 -12.299 10.803 491 1HG GLU 80 HG2 GLU 80 12.492 -13.303 8.966 492 2HG GLU 80 HG1 GLU 80 13.270 -13.421 10.546 493 H ASN 81 HN ASN 81 13.019 -15.282 12.547 494 HA ASN 81 HA ASN 81 14.639 -15.080 14.140 495 1HB ASN 81 HB2 ASN 81 14.231 -12.346 13.042 496 2HB ASN 81 HB1 ASN 81 15.225 -12.492 14.489 497 1HD2 ASN 81 1HD2 ASN 81 14.859 -14.630 11.693 498 2HD2 ASN 81 2HD2 ASN 81 16.523 -14.599 11.232 499 H GLY 82 HN GLY 82 11.826 -15.065 15.047 500 1HA GLY 82 HA1 GLY 82 12.295 -14.557 17.794 501 2HA GLY 82 HA2 GLY 82 10.745 -14.955 17.070 502 H ASN 83 HN ASN 83 11.057 -12.579 15.223 503 HA ASN 83 HA ASN 83 10.227 -10.551 17.189 504 1HB ASN 83 HB2 ASN 83 11.709 -9.916 14.635 505 2HB ASN 83 HB1 ASN 83 11.332 -8.820 15.960 506 1HD2 ASN 83 1HD2 ASN 83 13.620 -10.870 14.631 507 2HD2 ASN 83 2HD2 ASN 83 14.716 -10.933 15.964 508 H TRP 84 HN TRP 84 8.274 -9.717 16.838 509 HA TRP 84 HA TRP 84 6.645 -10.630 14.705 510 1HB TRP 84 HB2 TRP 84 6.322 -8.699 16.958 511 2HB TRP 84 HB1 TRP 84 5.166 -8.628 15.632 512 HD1 TRP 84 HD1 TRP 84 5.140 -9.919 18.873 513 HE1 TRP 84 HE1 TRP 84 3.793 -12.099 19.114 514 HE3 TRP 84 HE3 TRP 84 4.913 -11.280 13.950 515 HZ2 TRP 84 HZ2 TRP 84 2.770 -14.127 17.439 516 HZ3 TRP 84 HZ3 TRP 84 3.731 -13.354 13.354 517 HH2 TRP 84 HH2 TRP 84 2.682 -14.747 15.063 518 H CYS 85 HN CYS 85 7.501 -10.070 12.742 519 HA CYS 85 HA CYS 85 7.736 -7.194 12.166 520 1HB CYS 85 HB2 CYS 85 8.824 -8.411 9.975 521 2HB CYS 85 HB1 CYS 85 9.743 -7.831 11.355 522 H GLY 86 HN GLY 86 7.271 -6.727 9.736 523 1HA GLY 86 HA1 GLY 86 5.040 -6.351 8.779 524 2HA GLY 86 HA2 GLY 86 4.701 -8.043 9.101 525 H ILE 87 HN ILE 87 4.414 -8.926 7.140 526 HA ILE 87 HA ILE 87 6.502 -9.611 5.489 527 HB ILE 87 HB ILE 87 3.577 -9.675 5.285 528 1HG1 ILE 87 2HG1 ILE 87 3.885 -11.925 4.889 529 2HG1 ILE 87 1HG1 ILE 87 5.388 -11.678 4.012 530 1HG2 ILE 87 1HG2 ILE 87 5.203 -9.634 2.751 531 2HG2 ILE 87 3HG2 ILE 87 3.532 -10.182 2.872 532 3HG2 ILE 87 2HG2 ILE 87 3.934 -8.498 3.214 533 1HD1 ILE 87 2HD1 ILE 87 5.069 -11.407 6.990 534 2HD1 ILE 87 1HD1 ILE 87 5.675 -12.838 6.152 535 3HD1 ILE 87 3HD1 ILE 87 6.575 -11.327 6.074 536 H LYS 88 HN LYS 88 7.647 -8.697 3.945 537 HA LYS 88 HA LYS 88 7.392 -5.899 3.437 538 1HB LYS 88 HB2 LYS 88 9.111 -7.744 1.809 539 2HB LYS 88 HB1 LYS 88 9.405 -6.068 2.248 540 1HG LYS 88 HG2 LYS 88 9.230 -7.809 4.569 541 2HG LYS 88 HG1 LYS 88 10.503 -8.288 3.447 542 1HD LYS 88 HD2 LYS 88 10.856 -5.597 3.530 543 2HD LYS 88 HD1 LYS 88 10.281 -5.917 5.167 544 1HE LYS 88 HE2 LYS 88 12.675 -6.055 5.163 545 2HE LYS 88 HE1 LYS 88 12.021 -7.679 5.373 546 1HZ LYS 88 HZ1 LYS 88 12.256 -7.606 2.736 547 2HZ LYS 88 HZ3 LYS 88 13.516 -6.554 3.146 548 3HZ LYS 88 HZ2 LYS 88 13.502 -8.132 3.753 549 H ASN 89 HN ASN 89 7.161 -4.930 1.316 550 HA ASN 89 HA ASN 89 4.895 -5.844 -0.051 551 1HB ASN 89 HB2 ASN 89 5.158 -3.982 -1.455 552 2HB ASN 89 HB1 ASN 89 5.916 -3.475 0.044 553 1HD2 ASN 89 1HD2 ASN 89 7.144 -1.937 -0.954 554 2HD2 ASN 89 2HD2 ASN 89 8.498 -2.321 -1.953 555 H SER 90 HN SER 90 8.162 -6.832 -0.282 556 HA SER 90 HA SER 90 8.195 -7.721 -2.971 557 1HB SER 90 HB2 SER 90 9.844 -8.143 -0.542 558 2HB SER 90 HB1 SER 90 9.946 -9.397 -1.781 559 HG SER 90 HG SER 90 11.077 -8.084 -2.959 560 H CYS 91 HN CYS 91 6.137 -8.645 -0.638 561 HA CYS 91 HA CYS 91 6.151 -11.492 -1.189 562 1HB CYS 91 HB2 CYS 91 5.733 -10.724 1.110 563 2HB CYS 91 HB1 CYS 91 4.325 -9.827 0.557 564 H LYS 92 HN LYS 92 5.202 -8.978 -2.930 565 HA LYS 92 HA LYS 92 3.086 -10.500 -4.209 566 1HB LYS 92 HB2 LYS 92 1.735 -8.292 -4.368 567 2HB LYS 92 HB1 LYS 92 1.650 -9.254 -2.901 568 1HG LYS 92 HG2 LYS 92 1.967 -7.254 -1.935 569 2HG LYS 92 HG1 LYS 92 3.662 -7.640 -2.225 570 1HD LYS 92 HD2 LYS 92 3.039 -6.478 -4.572 571 2HD LYS 92 HD1 LYS 92 1.930 -5.621 -3.502 572 1HE LYS 92 HE2 LYS 92 4.162 -5.526 -2.036 573 2HE LYS 92 HE1 LYS 92 4.867 -5.586 -3.653 574 1HZ LYS 92 HZ1 LYS 92 3.049 -3.734 -4.059 575 2HZ LYS 92 HZ3 LYS 92 3.268 -3.486 -2.399 576 3HZ LYS 92 HZ2 LYS 92 4.583 -3.357 -3.455 577 H GLN 93 HN GLN 93 5.006 -10.640 -5.626 578 HA GLN 93 HA GLN 93 5.789 -8.334 -7.133 579 1HB GLN 93 HB2 GLN 93 7.449 -9.648 -7.973 580 2HB GLN 93 HB1 GLN 93 7.035 -10.645 -6.588 581 1HG GLN 93 HG2 GLN 93 6.079 -11.039 -9.410 582 2HG GLN 93 HG1 GLN 93 7.286 -12.003 -8.563 583 1HE2 GLN 93 1HE2 GLN 93 6.175 -12.400 -6.140 584 2HE2 GLN 93 2HE2 GLN 93 4.707 -13.301 -6.286 585 H GLN 94 HN GLN 94 3.097 -10.330 -7.242 586 HA GLN 94 HA GLN 94 2.683 -10.680 -9.983 587 1HB GLN 94 HB2 GLN 94 0.531 -10.209 -7.918 588 2HB GLN 94 HB1 GLN 94 0.361 -11.047 -9.452 589 1HG GLN 94 HG2 GLN 94 2.404 -12.156 -7.668 590 2HG GLN 94 HG1 GLN 94 0.751 -12.254 -7.062 591 1HE2 GLN 94 1HE2 GLN 94 3.028 -13.428 -9.343 592 2HE2 GLN 94 2HE2 GLN 94 2.021 -14.632 -10.064 593 HA PRO 95 HA PRO 95 0.183 -6.460 -9.794 594 1HB PRO 95 HB2 PRO 95 1.225 -4.748 -7.894 595 2HB PRO 95 HB1 PRO 95 -0.249 -5.699 -7.687 596 1HG PRO 95 HG2 PRO 95 2.537 -6.307 -6.770 597 2HG PRO 95 HG1 PRO 95 1.006 -6.495 -5.894 598 1HD PRO 95 HD2 PRO 95 2.200 -8.595 -6.983 599 2HD PRO 95 HD1 PRO 95 0.436 -8.423 -7.076 600 H GLN 96 HN GLN 96 3.558 -6.347 -8.663 601 HA GLN 96 HA GLN 96 4.248 -4.951 -11.151 602 1HB GLN 96 HB2 GLN 96 4.883 -4.067 -8.351 603 2HB GLN 96 HB1 GLN 96 5.926 -3.619 -9.694 604 1HG GLN 96 HG2 GLN 96 4.585 -1.939 -10.190 605 2HG GLN 96 HG1 GLN 96 3.254 -3.065 -10.453 606 1HE2 GLN 96 1HE2 GLN 96 3.006 -4.013 -7.822 607 2HE2 GLN 96 2HE2 GLN 96 2.389 -2.731 -6.841 608 H ASN 97 HN ASN 97 5.711 -6.106 -12.192 609 HA ASN 97 HA ASN 97 7.964 -7.244 -10.741 610 1HB ASN 97 HB2 ASN 97 7.549 -9.368 -12.294 611 2HB ASN 97 HB1 ASN 97 6.840 -9.238 -10.689 612 1HD2 ASN 97 1HD2 ASN 97 5.840 -7.517 -13.598 613 2HD2 ASN 97 2HD2 ASN 97 4.275 -8.236 -13.702 614 H ASN 98 HN ASN 98 7.521 -5.073 -12.687 615 HA ASN 98 HA ASN 98 9.289 -6.055 -14.832 616 1HB ASN 98 HB2 ASN 98 6.801 -5.224 -15.312 617 2HB ASN 98 HB1 ASN 98 7.592 -3.651 -15.295 618 1HD2 ASN 98 1HD2 ASN 98 7.093 -3.419 -17.503 619 2HD2 ASN 98 2HD2 ASN 98 8.011 -4.234 -18.717 620 H ASN 99 HN ASN 99 10.654 -4.331 -15.811 621 HA ASN 99 HA ASN 99 11.497 -2.389 -13.761 622 1HB ASN 99 HB2 ASN 99 13.137 -4.205 -14.105 623 2HB ASN 99 HB1 ASN 99 13.229 -3.785 -15.813 624 1HD2 ASN 99 1HD2 ASN 99 14.059 -1.692 -16.375 625 2HD2 ASN 99 2HD2 ASN 99 15.198 -0.912 -15.335 626 H GLN 100 HN GLN 100 11.184 -0.347 -14.319 627 HA GLN 100 HA GLN 100 10.910 1.550 -15.541 628 1HB GLN 100 HB2 GLN 100 13.124 0.187 -16.671 629 2HB GLN 100 HB1 GLN 100 12.185 0.836 -18.009 630 1HG GLN 100 HG2 GLN 100 13.328 2.712 -17.662 631 2HG GLN 100 HG1 GLN 100 12.251 2.950 -16.286 632 1HE2 GLN 100 1HE2 GLN 100 14.557 4.189 -16.102 633 2HE2 GLN 100 2HE2 GLN 100 15.638 3.395 -15.013 No H/Q in entry = 633 Start of MODEL 6 1 H1 ALA 1 HT2 ALA 1 4.523 6.977 -9.372 2 H2 ALA 1 HT1 ALA 1 5.905 6.232 -8.678 3 H3 ALA 1 HT3 ALA 1 4.338 5.648 -8.301 4 HA ALA 1 HA ALA 1 4.882 6.848 -6.475 5 1HB ALA 1 HB2 ALA 1 6.906 7.853 -7.071 6 2HB ALA 1 HB1 ALA 1 6.177 8.734 -8.414 7 3HB ALA 1 HB3 ALA 1 5.825 9.209 -6.753 8 H MET 2 HN MET 2 2.536 6.626 -8.116 9 HA MET 2 HA MET 2 1.010 8.767 -6.982 10 1HB MET 2 HB2 MET 2 0.065 9.472 -9.249 11 2HB MET 2 HB1 MET 2 1.656 10.078 -8.816 12 1HG MET 2 HG2 MET 2 2.138 7.681 -10.144 13 2HG MET 2 HG1 MET 2 0.846 8.460 -11.056 14 1HE MET 2 HE2 MET 2 3.514 10.336 -8.938 15 2HE MET 2 HE1 MET 2 4.449 8.964 -9.532 16 3HE MET 2 HE3 MET 2 4.817 10.594 -10.099 17 H ALA 3 HN ALA 3 -0.113 7.060 -6.055 18 HA ALA 3 HA ALA 3 -2.278 6.061 -7.672 19 1HB ALA 3 HB1 ALA 3 -1.374 3.720 -6.358 20 2HB ALA 3 HB2 ALA 3 -0.016 4.388 -7.264 21 3HB ALA 3 HB3 ALA 3 -1.528 4.019 -8.090 22 H CYS 4 HN CYS 4 -1.921 7.774 -5.369 23 HA CYS 4 HA CYS 4 -2.858 6.336 -3.058 24 1HB CYS 4 HB2 CYS 4 -1.498 8.655 -3.360 25 2HB CYS 4 HB1 CYS 4 -3.131 9.282 -3.165 26 H TRP 5 HN TRP 5 -4.872 6.975 -1.945 27 HA TRP 5 HA TRP 5 -7.057 7.130 -3.870 28 1HB TRP 5 HB2 TRP 5 -8.480 6.589 -1.860 29 2HB TRP 5 HB1 TRP 5 -7.290 5.359 -2.274 30 HD1 TRP 5 HD1 TRP 5 -5.673 4.644 -0.403 31 HE1 TRP 5 HE1 TRP 5 -5.182 5.441 1.995 32 HE3 TRP 5 HE3 TRP 5 -8.463 8.885 -0.419 33 HZ2 TRP 5 HZ2 TRP 5 -5.908 7.613 3.662 34 HZ3 TRP 5 HZ3 TRP 5 -8.530 10.280 1.606 35 HH2 TRP 5 HH2 TRP 5 -7.277 9.656 3.605 36 H ALA 6 HN ALA 6 -5.267 9.179 -1.912 37 HA ALA 6 HA ALA 6 -7.372 11.021 -1.214 38 1HB ALA 6 HB3 ALA 6 -5.441 12.467 -0.489 39 2HB ALA 6 HB2 ALA 6 -5.536 10.891 0.297 40 3HB ALA 6 HB1 ALA 6 -4.367 11.160 -0.996 41 H GLN 7 HN GLN 7 -5.063 10.592 -3.796 42 HA GLN 7 HA GLN 7 -5.080 13.184 -4.870 43 1HB GLN 7 HB2 GLN 7 -4.478 11.994 -7.037 44 2HB GLN 7 HB1 GLN 7 -3.413 11.717 -5.666 45 1HG GLN 7 HG2 GLN 7 -3.701 9.540 -5.863 46 2HG GLN 7 HG1 GLN 7 -5.436 9.732 -5.618 47 1HE2 GLN 7 1HE2 GLN 7 -2.986 10.153 -8.150 48 2HE2 GLN 7 2HE2 GLN 7 -3.958 9.527 -9.433 49 H SER 8 HN SER 8 -7.513 10.762 -4.840 50 HA SER 8 HA SER 8 -8.927 11.254 -7.170 51 1HB SER 8 HB2 SER 8 -9.497 9.464 -5.566 52 2HB SER 8 HB1 SER 8 -10.080 10.679 -4.428 53 HG SER 8 HG SER 8 -11.869 10.055 -5.490 54 H GLN 9 HN GLN 9 -8.559 13.219 -4.343 55 HA GLN 9 HA GLN 9 -10.582 15.106 -5.335 56 1HB GLN 9 HB2 GLN 9 -10.506 16.094 -3.072 57 2HB GLN 9 HB1 GLN 9 -10.974 14.399 -3.049 58 1HG GLN 9 HG2 GLN 9 -8.929 13.720 -2.162 59 2HG GLN 9 HG1 GLN 9 -8.132 15.230 -2.606 60 1HE2 GLN 9 1HE2 GLN 9 -10.377 13.718 -0.395 61 2HE2 GLN 9 2HE2 GLN 9 -10.275 14.921 0.840 62 H GLY 10 HN GLY 10 -7.224 14.598 -4.998 63 1HA GLY 10 HA1 GLY 10 -6.712 17.466 -5.482 64 2HA GLY 10 HA2 GLY 10 -5.926 16.204 -6.417 65 H TYR 11 HN TYR 11 -5.874 14.672 -3.687 66 HA TYR 11 HA TYR 11 -3.609 16.136 -2.513 67 1HB TYR 11 HB2 TYR 11 -5.594 14.190 -1.388 68 2HB TYR 11 HB1 TYR 11 -4.036 14.415 -0.603 69 HD1 TYR 11 HD1 TYR 11 -6.195 16.972 -2.238 70 HD2 TYR 11 HD2 TYR 11 -4.573 15.457 1.387 71 HE1 TYR 11 HE1 TYR 11 -7.085 18.922 -1.032 72 HE2 TYR 11 HE2 TYR 11 -5.454 17.392 2.599 73 HH TYR 11 HH TYR 11 -6.717 20.156 1.000 74 H ASN 12 HN ASN 12 -1.608 15.288 -2.556 75 HA ASN 12 HA ASN 12 -1.161 12.841 -4.021 76 1HB ASN 12 HB2 ASN 12 0.955 14.401 -2.549 77 2HB ASN 12 HB1 ASN 12 1.135 13.401 -3.986 78 1HD2 ASN 12 1HD2 ASN 12 1.698 16.291 -3.291 79 2HD2 ASN 12 2HD2 ASN 12 0.993 17.179 -4.595 80 H CYS 13 HN CYS 13 0.391 11.170 -3.084 81 HA CYS 13 HA CYS 13 -0.682 10.332 -0.552 82 1HB CYS 13 HB2 CYS 13 0.345 8.997 -2.738 83 2HB CYS 13 HB1 CYS 13 1.603 8.794 -1.522 84 H CYS 14 HN CYS 14 0.521 9.836 1.320 85 HA CYS 14 HA CYS 14 2.621 11.769 1.833 86 1HB CYS 14 HB2 CYS 14 0.586 10.513 3.367 87 2HB CYS 14 HB1 CYS 14 2.129 10.055 4.077 88 H ASN 15 HN ASN 15 4.716 11.337 1.784 89 HA ASN 15 HA ASN 15 5.733 8.817 1.043 90 1HB ASN 15 HB2 ASN 15 6.916 10.842 0.459 91 2HB ASN 15 HB1 ASN 15 7.096 11.278 2.155 92 1HD2 ASN 15 1HD2 ASN 15 8.930 10.796 3.076 93 2HD2 ASN 15 2HD2 ASN 15 10.075 9.622 2.525 94 H ASN 16 HN ASN 16 5.659 7.101 2.304 95 HA ASN 16 HA ASN 16 6.423 5.728 4.011 96 1HB ASN 16 HB2 ASN 16 6.700 8.141 5.808 97 2HB ASN 16 HB1 ASN 16 7.363 6.530 6.054 98 1HD2 ASN 16 1HD2 ASN 16 8.270 9.503 5.459 99 2HD2 ASN 16 2HD2 ASN 16 9.650 9.242 4.455 100 HA PRO 17 HA PRO 17 2.010 6.703 5.383 101 1HB PRO 17 HB2 PRO 17 0.806 4.665 4.051 102 2HB PRO 17 HB1 PRO 17 1.047 6.267 3.343 103 1HG PRO 17 HG2 PRO 17 2.663 3.771 2.978 104 2HG PRO 17 HG1 PRO 17 2.132 4.948 1.762 105 1HD PRO 17 HD2 PRO 17 4.638 4.947 2.772 106 2HD PRO 17 HD1 PRO 17 3.810 6.441 2.292 107 H SER 18 HN SER 18 4.127 3.972 5.289 108 HA SER 18 HA SER 18 2.582 2.262 6.978 109 1HB SER 18 HB2 SER 18 5.522 1.911 6.897 110 2HB SER 18 HB1 SER 18 4.236 0.730 6.652 111 HG SER 18 HG SER 18 3.893 1.829 4.580 112 H SER 19 HN SER 19 4.181 5.109 7.628 113 HA SER 19 HA SER 19 4.195 4.514 10.483 114 1HB SER 19 HB2 SER 19 6.538 4.186 9.465 115 2HB SER 19 HB1 SER 19 6.552 5.937 9.253 116 HG SER 19 HG SER 19 6.405 4.456 11.656 117 H THR 20 HN THR 20 2.475 6.063 8.729 118 HA THR 20 HA THR 20 3.075 8.811 9.509 119 HB THR 20 HB THR 20 1.319 7.546 7.427 120 HG1 THR 20 HG1 THR 20 3.444 9.392 7.474 121 1HG2 THR 20 1HG2 THR 20 1.175 10.410 8.311 122 2HG2 THR 20 3HG2 THR 20 0.471 9.755 6.833 123 3HG2 THR 20 2HG2 THR 20 -0.107 9.205 8.404 124 H LYS 21 HN LYS 21 2.255 9.390 11.419 125 HA LYS 21 HA LYS 21 0.115 8.079 12.713 126 1HB LYS 21 HB2 LYS 21 1.880 9.442 13.856 127 2HB LYS 21 HB1 LYS 21 1.115 10.889 13.213 128 1HG LYS 21 HG2 LYS 21 -0.656 9.068 14.696 129 2HG LYS 21 HG1 LYS 21 0.600 9.866 15.645 130 1HD LYS 21 HD2 LYS 21 -0.177 12.029 14.530 131 2HD LYS 21 HD1 LYS 21 -1.597 11.114 14.019 132 1HE LYS 21 HE2 LYS 21 -2.271 10.723 16.247 133 2HE LYS 21 HE1 LYS 21 -0.712 11.240 16.888 134 1HZ LYS 21 HZ2 LYS 21 -1.501 13.439 15.595 135 2HZ LYS 21 HZ1 LYS 21 -2.998 12.825 16.085 136 3HZ LYS 21 HZ3 LYS 21 -1.802 13.154 17.235 137 H VAL 22 HN VAL 22 -1.911 8.077 11.943 138 HA VAL 22 HA VAL 22 -2.896 10.259 10.360 139 HB VAL 22 HB VAL 22 -4.118 7.625 11.192 140 1HG1 VAL 22 2HG1 VAL 22 -5.322 9.995 9.929 141 2HG1 VAL 22 1HG1 VAL 22 -5.680 8.450 9.163 142 3HG1 VAL 22 3HG1 VAL 22 -6.070 8.702 10.864 143 1HG2 VAL 22 3HG2 VAL 22 -2.194 7.904 9.431 144 2HG2 VAL 22 2HG2 VAL 22 -3.547 6.816 9.125 145 3HG2 VAL 22 1HG2 VAL 22 -3.518 8.416 8.386 146 H GLU 23 HN GLU 23 -3.205 11.974 11.652 147 HA GLU 23 HA GLU 23 -4.579 11.757 14.179 148 1HB GLU 23 HB2 GLU 23 -4.477 14.333 13.984 149 2HB GLU 23 HB1 GLU 23 -2.967 13.455 14.190 150 1HG GLU 23 HG2 GLU 23 -2.184 14.085 12.191 151 2HG GLU 23 HG1 GLU 23 -3.742 13.867 11.395 152 H TYR 24 HN TYR 24 -5.513 11.749 10.993 153 HA TYR 24 HA TYR 24 -8.212 12.656 11.756 154 1HB TYR 24 HB2 TYR 24 -6.874 14.422 10.459 155 2HB TYR 24 HB1 TYR 24 -7.077 13.365 9.067 156 HD1 TYR 24 HD1 TYR 24 -8.541 15.948 11.027 157 HD2 TYR 24 HD2 TYR 24 -9.486 12.713 8.432 158 HE1 TYR 24 HE1 TYR 24 -10.757 16.934 10.612 159 HE2 TYR 24 HE2 TYR 24 -11.704 13.688 8.009 160 HH TYR 24 HH TYR 24 -12.668 16.187 8.131 161 H THR 25 HN THR 25 -9.873 11.475 10.983 162 HA THR 25 HA THR 25 -9.568 9.787 8.677 163 HB THR 25 HB THR 25 -10.187 8.416 11.290 164 HG1 THR 25 HG1 THR 25 -7.752 8.302 9.851 165 1HG2 THR 25 2HG2 THR 25 -10.236 7.613 8.515 166 2HG2 THR 25 1HG2 THR 25 -9.159 6.601 9.482 167 3HG2 THR 25 3HG2 THR 25 -10.851 6.784 9.947 168 H ASP 26 HN ASP 26 -11.358 10.238 7.632 169 HA ASP 26 HA ASP 26 -13.899 10.245 9.120 170 1HB ASP 26 HB2 ASP 26 -14.735 11.961 7.600 171 2HB ASP 26 HB1 ASP 26 -13.253 12.516 8.367 172 H ALA 27 HN ALA 27 -15.374 10.548 6.553 173 HA ALA 27 HA ALA 27 -15.488 7.747 5.905 174 1HB ALA 27 HB1 ALA 27 -17.608 8.604 5.914 175 2HB ALA 27 HB2 ALA 27 -17.236 8.728 4.194 176 3HB ALA 27 HB3 ALA 27 -17.106 10.150 5.228 177 H SER 28 HN SER 28 -13.404 10.048 4.923 178 HA SER 28 HA SER 28 -13.357 9.266 2.110 179 1HB SER 28 HB2 SER 28 -12.005 11.127 1.713 180 2HB SER 28 HB1 SER 28 -13.028 11.694 3.034 181 HG SER 28 HG SER 28 -10.365 10.739 3.189 182 H GLY 29 HN GLY 29 -11.535 8.985 5.092 183 1HA GLY 29 HA1 GLY 29 -9.436 7.458 3.742 184 2HA GLY 29 HA2 GLY 29 -10.421 6.620 4.931 185 H GLN 30 HN GLN 30 -7.531 7.232 4.890 186 HA GLN 30 HA GLN 30 -7.393 8.500 7.535 187 1HB GLN 30 HB2 GLN 30 -5.690 6.471 6.120 188 2HB GLN 30 HB1 GLN 30 -5.064 7.367 7.495 189 1HG GLN 30 HG2 GLN 30 -7.528 6.448 8.355 190 2HG GLN 30 HG1 GLN 30 -6.869 5.111 7.414 191 1HE2 GLN 30 1HE2 GLN 30 -4.615 4.490 7.944 192 2HE2 GLN 30 2HE2 GLN 30 -4.135 4.537 9.603 193 H TRP 31 HN TRP 31 -6.035 10.200 7.963 194 HA TRP 31 HA TRP 31 -4.377 11.216 5.763 195 1HB TRP 31 HB2 TRP 31 -6.111 13.010 7.462 196 2HB TRP 31 HB1 TRP 31 -5.147 13.468 6.063 197 HD1 TRP 31 HD1 TRP 31 -8.376 11.583 6.967 198 HE1 TRP 31 HE1 TRP 31 -9.889 11.530 4.888 199 HE3 TRP 31 HE3 TRP 31 -5.144 13.620 3.573 200 HZ2 TRP 31 HZ2 TRP 31 -9.728 12.267 2.154 201 HZ3 TRP 31 HZ3 TRP 31 -5.897 13.909 1.250 202 HH2 TRP 31 HH2 TRP 31 -8.140 13.247 0.555 203 H GLY 32 HN GLY 32 -2.544 12.347 6.365 204 1HA GLY 32 HA1 GLY 32 -0.997 11.608 8.404 205 2HA GLY 32 HA2 GLY 32 -1.996 12.831 9.177 206 H VAL 33 HN VAL 33 -0.082 14.085 9.538 207 HA VAL 33 HA VAL 33 0.621 15.686 7.191 208 HB VAL 33 HB VAL 33 1.140 16.253 10.114 209 1HG1 VAL 33 1HG1 VAL 33 2.755 17.304 8.566 210 2HG1 VAL 33 3HG1 VAL 33 1.410 18.074 7.724 211 3HG1 VAL 33 2HG1 VAL 33 1.746 18.482 9.406 212 1HG2 VAL 33 2HG2 VAL 33 -0.958 17.356 8.247 213 2HG2 VAL 33 1HG2 VAL 33 -1.238 16.274 9.612 214 3HG2 VAL 33 3HG2 VAL 33 -0.655 17.914 9.892 215 H GLN 34 HN GLN 34 2.302 14.795 6.128 216 HA GLN 34 HA GLN 34 4.703 14.144 7.713 217 1HB GLN 34 HB2 GLN 34 3.459 12.292 6.308 218 2HB GLN 34 HB1 GLN 34 4.306 13.044 4.961 219 1HG GLN 34 HG2 GLN 34 6.320 12.287 5.616 220 2HG GLN 34 HG1 GLN 34 5.936 12.416 7.332 221 1HE2 GLN 34 1HE2 GLN 34 4.065 10.720 4.887 222 2HE2 GLN 34 2HE2 GLN 34 4.296 9.137 5.542 223 H ASN 35 HN ASN 35 6.407 15.410 7.362 224 HA ASN 35 HA ASN 35 7.791 16.952 6.421 225 1HB ASN 35 HB2 ASN 35 8.148 15.286 4.721 226 2HB ASN 35 HB1 ASN 35 6.639 15.700 3.922 227 1HD2 ASN 35 1HD2 ASN 35 7.511 16.161 1.985 228 2HD2 ASN 35 2HD2 ASN 35 8.540 17.520 1.690 229 H GLY 36 HN GLY 36 5.099 17.705 7.193 230 1HA GLY 36 HA1 GLY 36 5.054 20.337 6.155 231 2HA GLY 36 HA2 GLY 36 3.816 19.609 7.168 232 H GLN 37 HN GLN 37 2.901 17.558 5.593 233 HA GLN 37 HA GLN 37 1.443 19.050 3.572 234 1HB GLN 37 HB2 GLN 37 3.071 16.593 2.897 235 2HB GLN 37 HB1 GLN 37 1.876 17.320 1.833 236 1HG GLN 37 HG2 GLN 37 4.397 18.632 2.823 237 2HG GLN 37 HG1 GLN 37 4.130 17.971 1.211 238 1HE2 GLN 37 1HE2 GLN 37 1.588 18.868 0.686 239 2HE2 GLN 37 2HE2 GLN 37 1.595 20.592 0.579 240 H TRP 38 HN TRP 38 -0.644 18.515 3.672 241 HA TRP 38 HA TRP 38 -1.515 16.328 5.298 242 1HB TRP 38 HB2 TRP 38 -2.562 18.689 4.924 243 2HB TRP 38 HB1 TRP 38 -3.285 17.949 3.503 244 HD1 TRP 38 HD1 TRP 38 -5.707 18.004 4.268 245 HE1 TRP 38 HE1 TRP 38 -7.066 16.822 6.107 246 HE3 TRP 38 HE3 TRP 38 -1.847 16.079 7.022 247 HZ2 TRP 38 HZ2 TRP 38 -6.567 15.289 8.414 248 HZ3 TRP 38 HZ3 TRP 38 -2.381 14.772 9.030 249 HH2 TRP 38 HH2 TRP 38 -4.689 14.387 9.715 250 H CYS 39 HN CYS 39 -0.840 14.445 4.276 251 HA CYS 39 HA CYS 39 -2.078 13.902 1.657 252 1HB CYS 39 HB2 CYS 39 -0.079 11.978 2.090 253 2HB CYS 39 HB1 CYS 39 -0.044 13.312 0.948 254 H GLY 40 HN GLY 40 -2.473 11.530 1.262 255 1HA GLY 40 HA1 GLY 40 -4.063 9.914 1.866 256 2HA GLY 40 HA2 GLY 40 -3.980 10.483 3.528 257 H ILE 41 HN ILE 41 -3.889 8.183 4.066 258 HA ILE 41 HA ILE 41 -1.111 7.254 4.032 259 HB ILE 41 HB ILE 41 -3.412 6.802 5.886 260 1HG1 ILE 41 2HG1 ILE 41 -1.558 7.212 7.553 261 2HG1 ILE 41 1HG1 ILE 41 -0.507 7.552 6.182 262 1HG2 ILE 41 2HG2 ILE 41 -1.170 4.894 5.388 263 2HG2 ILE 41 1HG2 ILE 41 -1.841 5.075 7.010 264 3HG2 ILE 41 3HG2 ILE 41 -2.878 4.565 5.678 265 1HD1 ILE 41 1HD1 ILE 41 -3.024 9.035 6.170 266 2HD1 ILE 41 3HD1 ILE 41 -1.958 9.398 7.526 267 3HD1 ILE 41 2HD1 ILE 41 -1.374 9.583 5.872 268 H ASP 42 HN ASP 42 -0.868 6.169 2.135 269 HA ASP 42 HA ASP 42 -2.590 3.810 1.743 270 1HB ASP 42 HB2 ASP 42 -2.245 5.930 -0.045 271 2HB ASP 42 HB1 ASP 42 -1.214 4.650 -0.677 272 H TYR 43 HN TYR 43 -1.315 2.324 2.740 273 HA TYR 43 HA TYR 43 1.464 2.187 2.690 274 1HB TYR 43 HB2 TYR 43 -0.300 -0.253 2.812 275 2HB TYR 43 HB1 TYR 43 1.263 0.004 3.581 276 HD1 TYR 43 HD1 TYR 43 -1.587 -0.811 4.718 277 HD2 TYR 43 HD2 TYR 43 0.696 2.780 4.692 278 HE1 TYR 43 HE1 TYR 43 -2.728 -0.076 6.769 279 HE2 TYR 43 HE2 TYR 43 -0.441 3.526 6.743 280 HH TYR 43 HH TYR 43 -2.740 3.013 7.861 281 H SER 44 HN SER 44 -0.796 1.432 0.211 282 HA SER 44 HA SER 44 1.370 0.216 -1.374 283 1HB SER 44 HB2 SER 44 -1.351 -0.373 -2.297 284 2HB SER 44 HB1 SER 44 0.023 -1.456 -2.072 285 HG SER 44 HG SER 44 -0.837 -2.060 -0.263 286 H TYR 45 HN TYR 45 1.271 2.901 -1.401 287 HA TYR 45 HA TYR 45 -0.344 3.706 -3.670 288 1HB TYR 45 HB2 TYR 45 -0.197 5.790 -2.825 289 2HB TYR 45 HB1 TYR 45 0.503 5.041 -1.397 290 HD1 TYR 45 HD1 TYR 45 2.509 5.858 -0.637 291 HD2 TYR 45 HD2 TYR 45 1.552 6.264 -4.754 292 HE1 TYR 45 HE1 TYR 45 4.589 7.104 -0.991 293 HE2 TYR 45 HE2 TYR 45 3.620 7.496 -5.126 294 HH TYR 45 HH TYR 45 5.199 9.020 -3.409 295 H GLY 46 HN GLY 46 0.380 3.448 -5.608 296 1HA GLY 46 HA1 GLY 46 1.874 3.791 -7.400 297 2HA GLY 46 HA2 GLY 46 2.328 2.238 -6.732 298 H GLN 47 HN GLN 47 4.079 2.207 -5.143 299 HA GLN 47 HA GLN 47 5.981 4.414 -5.549 300 1HB GLN 47 HB2 GLN 47 5.589 2.479 -3.281 301 2HB GLN 47 HB1 GLN 47 7.097 3.367 -3.479 302 1HG GLN 47 HG2 GLN 47 4.819 5.120 -3.682 303 2HG GLN 47 HG1 GLN 47 4.802 4.216 -2.165 304 1HE2 GLN 47 1HE2 GLN 47 7.121 5.938 -4.232 305 2HE2 GLN 47 2HE2 GLN 47 7.944 6.736 -2.941 306 H ASN 48 HN ASN 48 8.349 3.592 -5.283 307 HA ASN 48 HA ASN 48 8.711 1.567 -7.328 308 1HB ASN 48 HB2 ASN 48 11.060 2.258 -7.309 309 2HB ASN 48 HB1 ASN 48 9.996 3.653 -7.453 310 1HD2 ASN 48 1HD2 ASN 48 11.127 5.232 -6.530 311 2HD2 ASN 48 2HD2 ASN 48 11.750 5.200 -4.919 312 H GLN 49 HN GLN 49 10.482 -0.041 -7.068 313 HA GLN 49 HA GLN 49 10.116 -1.476 -4.562 314 1HB GLN 49 HB2 GLN 49 11.093 -2.179 -7.286 315 2HB GLN 49 HB1 GLN 49 11.626 -3.158 -5.921 316 1HG GLN 49 HG2 GLN 49 9.725 -4.221 -5.868 317 2HG GLN 49 HG1 GLN 49 8.840 -2.708 -5.714 318 1HE2 GLN 49 1HE2 GLN 49 10.775 -4.041 -8.363 319 2HE2 GLN 49 2HE2 GLN 49 9.514 -3.992 -9.543 320 H GLY 50 HN GLY 50 11.727 0.890 -4.410 321 1HA GLY 50 HA1 GLY 50 13.954 1.543 -4.086 322 2HA GLY 50 HA2 GLY 50 14.434 -0.132 -4.320 323 H ASN 51 HN ASN 51 11.857 0.793 -2.183 324 HA ASN 51 HA ASN 51 11.970 -0.528 -0.039 325 1HB ASN 51 HB2 ASN 51 13.758 -0.006 1.500 326 2HB ASN 51 HB1 ASN 51 14.443 -0.579 -0.013 327 1HD2 ASN 51 1HD2 ASN 51 16.277 0.564 1.229 328 2HD2 ASN 51 2HD2 ASN 51 16.544 2.216 0.800 329 H GLU 52 HN GLU 52 10.474 1.594 -1.095 330 HA GLU 52 HA GLU 52 10.613 3.879 0.619 331 1HB GLU 52 HB2 GLU 52 8.908 2.945 -1.588 332 2HB GLU 52 HB1 GLU 52 8.063 3.908 -0.384 333 1HG GLU 52 HG2 GLU 52 8.793 5.700 -1.457 334 2HG GLU 52 HG1 GLU 52 10.402 5.314 -0.847 335 H SER 53 HN SER 53 8.763 0.900 0.550 336 HA SER 53 HA SER 53 8.217 1.071 3.362 337 1HB SER 53 HB2 SER 53 6.085 1.628 1.349 338 2HB SER 53 HB1 SER 53 5.656 0.653 2.755 339 HG SER 53 HG SER 53 6.995 3.135 2.981 340 H CYS 54 HN CYS 54 7.233 -0.943 4.177 341 HA CYS 54 HA CYS 54 7.789 -3.151 2.323 342 1HB CYS 54 HB2 CYS 54 7.782 -4.462 4.636 343 2HB CYS 54 HB1 CYS 54 9.212 -3.654 4.016 344 H THR 55 HN THR 55 6.518 -5.125 2.579 345 HA THR 55 HA THR 55 3.711 -4.483 2.611 346 HB THR 55 HB THR 55 5.316 -6.950 1.968 347 HG1 THR 55 HG1 THR 55 5.231 -5.866 0.169 348 1HG2 THR 55 3HG2 THR 55 2.450 -6.853 2.589 349 2HG2 THR 55 2HG2 THR 55 2.873 -7.624 1.060 350 3HG2 THR 55 1HG2 THR 55 3.573 -8.215 2.566 351 H GLY 56 HN GLY 56 2.143 -5.548 3.931 352 1HA GLY 56 HA1 GLY 56 3.097 -7.071 6.202 353 2HA GLY 56 HA2 GLY 56 1.419 -6.742 5.800 354 H ASN 57 HN ASN 57 2.884 -3.833 5.580 355 HA ASN 57 HA ASN 57 3.087 -3.181 8.373 356 1HB ASN 57 HB2 ASN 57 3.499 -0.887 7.566 357 2HB ASN 57 HB1 ASN 57 4.526 -2.062 6.749 358 1HD2 ASN 57 1HD2 ASN 57 4.789 -0.485 5.091 359 2HD2 ASN 57 2HD2 ASN 57 3.571 -0.274 3.886 360 H GLY 58 HN GLY 58 0.461 -3.815 6.559 361 1HA GLY 58 HA1 GLY 58 -1.709 -2.982 6.463 362 2HA GLY 58 HA2 GLY 58 -1.181 -1.567 7.362 363 H SER 59 HN SER 59 -0.165 -4.479 8.779 364 HA SER 59 HA SER 59 -1.898 -4.049 11.020 365 1HB SER 59 HB2 SER 59 -3.488 -5.312 9.797 366 2HB SER 59 HB1 SER 59 -2.269 -6.464 9.255 367 HG SER 59 HG SER 59 -3.618 -7.222 11.001 368 H TYR 60 HN TYR 60 0.426 -6.210 9.443 369 HA TYR 60 HA TYR 60 1.459 -6.955 12.092 370 1HB TYR 60 HB2 TYR 60 2.639 -8.372 9.829 371 2HB TYR 60 HB1 TYR 60 1.893 -9.009 11.288 372 HD1 TYR 60 HD1 TYR 60 -0.341 -9.827 11.265 373 HD2 TYR 60 HD2 TYR 60 1.218 -7.808 7.862 374 HE1 TYR 60 HE1 TYR 60 -2.282 -10.563 9.946 375 HE2 TYR 60 HE2 TYR 60 -0.716 -8.537 6.534 376 HH TYR 60 HH TYR 60 -2.980 -9.293 6.838 377 HA PRO 61 HA PRO 61 5.364 -5.007 11.207 378 1HB PRO 61 HB2 PRO 61 7.121 -6.515 12.463 379 2HB PRO 61 HB1 PRO 61 5.734 -5.879 13.361 380 1HG PRO 61 HG2 PRO 61 6.159 -8.623 12.223 381 2HG PRO 61 HG1 PRO 61 5.486 -8.158 13.798 382 1HD PRO 61 HD2 PRO 61 4.003 -8.797 11.518 383 2HD PRO 61 HD1 PRO 61 3.389 -7.926 12.937 384 H CYS 62 HN CYS 62 7.144 -4.890 9.816 385 HA CYS 62 HA CYS 62 7.241 -6.743 7.655 386 1HB CYS 62 HB2 CYS 62 9.308 -4.643 8.352 387 2HB CYS 62 HB1 CYS 62 9.005 -5.359 6.770 388 H CYS 63 HN CYS 63 9.726 -7.491 7.057 389 HA CYS 63 HA CYS 63 10.614 -8.923 9.468 390 1HB CYS 63 HB2 CYS 63 11.557 -10.582 7.632 391 2HB CYS 63 HB1 CYS 63 9.907 -10.700 8.221 392 H ASN 64 HN ASN 64 11.882 -8.225 6.243 393 HA ASN 64 HA ASN 64 13.715 -6.653 5.939 394 1HB ASN 64 HB2 ASN 64 15.580 -6.571 7.348 395 2HB ASN 64 HB1 ASN 64 14.229 -6.724 8.456 396 1HD2 ASN 64 1HD2 ASN 64 14.003 -9.654 7.697 397 2HD2 ASN 64 2HD2 ASN 64 15.270 -10.414 8.583 398 H THR 65 HN THR 65 12.768 -9.242 4.961 399 HA THR 65 HA THR 65 15.285 -10.127 3.751 400 HB THR 65 HB THR 65 14.679 -11.703 5.572 401 HG1 THR 65 HG1 THR 65 14.987 -13.504 4.332 402 1HG2 THR 65 3HG2 THR 65 12.187 -11.426 5.317 403 2HG2 THR 65 2HG2 THR 65 12.302 -12.485 3.911 404 3HG2 THR 65 1HG2 THR 65 12.770 -13.080 5.504 405 H CYS 66 HN CYS 66 15.101 -10.899 1.629 406 HA CYS 66 HA CYS 66 12.608 -10.128 0.307 407 1HB CYS 66 HB2 CYS 66 15.266 -10.831 -0.957 408 2HB CYS 66 HB1 CYS 66 13.875 -10.113 -1.765 409 H GLN 67 HN GLN 67 12.751 -12.535 1.841 410 HA GLN 67 HA GLN 67 12.428 -14.562 -0.266 411 1HB GLN 67 HB2 GLN 67 14.067 -15.546 0.983 412 2HB GLN 67 HB1 GLN 67 13.652 -14.648 2.430 413 1HG GLN 67 HG2 GLN 67 11.608 -16.587 1.738 414 2HG GLN 67 HG1 GLN 67 13.192 -17.328 1.943 415 1HE2 GLN 67 1HE2 GLN 67 12.059 -14.443 3.604 416 2HE2 GLN 67 2HE2 GLN 67 12.039 -15.139 5.185 417 H ALA 68 HN ALA 68 10.285 -14.141 -0.687 418 HA ALA 68 HA ALA 68 8.360 -14.094 1.471 419 1HB ALA 68 HB1 ALA 68 7.598 -14.061 -1.410 420 2HB ALA 68 HB3 ALA 68 6.837 -13.267 -0.033 421 3HB ALA 68 HB2 ALA 68 8.354 -12.643 -0.681 422 H THR 69 HN THR 69 8.429 -16.138 2.261 423 HA THR 69 HA THR 69 8.317 -18.512 0.792 424 HB THR 69 HB THR 69 8.890 -18.960 2.955 425 HG1 THR 69 HG1 THR 69 6.090 -19.187 3.293 426 1HG2 THR 69 3HG2 THR 69 6.899 -16.883 3.781 427 2HG2 THR 69 2HG2 THR 69 7.655 -17.985 4.935 428 3HG2 THR 69 1HG2 THR 69 8.652 -16.877 3.985 429 H TYR 70 HN TYR 70 5.827 -16.208 1.530 430 HA TYR 70 HA TYR 70 3.961 -17.776 -0.036 431 1HB TYR 70 HB2 TYR 70 2.400 -18.226 1.567 432 2HB TYR 70 HB1 TYR 70 3.828 -18.241 2.592 433 HD1 TYR 70 HD1 TYR 70 3.845 -16.941 4.517 434 HD2 TYR 70 HD2 TYR 70 1.178 -15.911 1.364 435 HE1 TYR 70 HE1 TYR 70 2.825 -15.221 5.947 436 HE2 TYR 70 HE2 TYR 70 0.153 -14.190 2.785 437 HH TYR 70 HH TYR 70 -0.095 -13.622 5.106 438 H THR 71 HN THR 71 2.481 -16.554 -1.115 439 HA THR 71 HA THR 71 2.539 -13.653 -0.598 440 HB THR 71 HB THR 71 2.312 -15.078 -3.256 441 HG1 THR 71 HG1 THR 71 4.387 -14.884 -3.190 442 1HG2 THR 71 1HG2 THR 71 1.005 -12.858 -2.915 443 2HG2 THR 71 3HG2 THR 71 2.609 -12.125 -2.989 444 3HG2 THR 71 2HG2 THR 71 2.014 -13.081 -4.347 445 H ASP 72 HN ASP 72 0.625 -12.581 -0.544 446 HA ASP 72 HA ASP 72 -1.799 -14.194 -0.964 447 1HB ASP 72 HB2 ASP 72 -0.908 -13.163 1.458 448 2HB ASP 72 HB1 ASP 72 -2.138 -12.014 0.941 449 H GLY 73 HN GLY 73 -3.682 -12.221 -0.574 450 1HA GLY 73 HA1 GLY 73 -4.856 -10.733 -1.875 451 2HA GLY 73 HA2 GLY 73 -3.617 -10.911 -3.105 452 H ASP 74 HN ASP 74 -1.926 -10.076 -0.413 453 HA ASP 74 HA ASP 74 -2.208 -7.203 -1.014 454 1HB ASP 74 HB2 ASP 74 -2.141 -8.645 1.536 455 2HB ASP 74 HB1 ASP 74 -1.014 -7.294 1.465 456 H GLY 75 HN GLY 75 -0.313 -9.674 -1.741 457 1HA GLY 75 HA1 GLY 75 2.185 -8.136 -1.401 458 2HA GLY 75 HA2 GLY 75 1.765 -8.923 -2.916 459 H ASP 76 HN ASP 76 4.135 -9.352 -1.374 460 HA ASP 76 HA ASP 76 3.871 -12.238 -1.009 461 1HB ASP 76 HB2 ASP 76 6.557 -11.102 -0.690 462 2HB ASP 76 HB1 ASP 76 6.001 -12.409 -1.729 463 H TRP 77 HN TRP 77 5.040 -13.262 0.825 464 HA TRP 77 HA TRP 77 5.334 -11.594 3.193 465 1HB TRP 77 HB2 TRP 77 3.450 -13.950 3.173 466 2HB TRP 77 HB1 TRP 77 3.770 -12.864 4.521 467 HD1 TRP 77 HD1 TRP 77 1.987 -12.934 1.107 468 HE1 TRP 77 HE1 TRP 77 0.246 -11.047 1.065 469 HE3 TRP 77 HE3 TRP 77 3.148 -10.664 5.536 470 HZ2 TRP 77 HZ2 TRP 77 -0.533 -8.887 2.690 471 HZ3 TRP 77 HZ3 TRP 77 1.852 -8.688 6.219 472 HH2 TRP 77 HH2 TRP 77 0.048 -7.817 4.823 473 H ALA 78 HN ALA 78 6.449 -12.548 4.904 474 HA ALA 78 HA ALA 78 7.566 -15.205 4.503 475 1HB ALA 78 HB1 ALA 78 9.329 -12.809 4.975 476 2HB ALA 78 HB3 ALA 78 9.844 -14.486 4.781 477 3HB ALA 78 HB2 ALA 78 9.120 -13.625 3.426 478 H PHE 79 HN PHE 79 8.244 -16.222 6.387 479 HA PHE 79 HA PHE 79 7.254 -14.999 8.848 480 1HB PHE 79 HB2 PHE 79 6.633 -17.362 8.141 481 2HB PHE 79 HB1 PHE 79 8.297 -17.812 8.498 482 HD1 PHE 79 HD1 PHE 79 8.340 -19.072 10.415 483 HD2 PHE 79 HD2 PHE 79 5.847 -15.626 10.268 484 HE1 PHE 79 HE1 PHE 79 7.743 -19.407 12.779 485 HE2 PHE 79 HE2 PHE 79 5.247 -15.954 12.632 486 HZ PHE 79 HZ PHE 79 6.196 -17.847 13.890 487 H GLU 80 HN GLU 80 8.708 -13.725 9.821 488 HA GLU 80 HA GLU 80 11.354 -14.859 10.380 489 1HB GLU 80 HB2 GLU 80 11.646 -13.352 8.485 490 2HB GLU 80 HB1 GLU 80 10.837 -12.061 9.360 491 1HG GLU 80 HG2 GLU 80 13.257 -11.781 9.347 492 2HG GLU 80 HG1 GLU 80 12.629 -11.992 10.981 493 H ASN 81 HN ASN 81 12.356 -14.082 12.278 494 HA ASN 81 HA ASN 81 12.340 -13.551 14.494 495 1HB ASN 81 HB2 ASN 81 11.245 -11.220 13.057 496 2HB ASN 81 HB1 ASN 81 10.907 -11.250 14.785 497 1HD2 ASN 81 1HD2 ASN 81 12.554 -9.385 13.400 498 2HD2 ASN 81 2HD2 ASN 81 14.152 -9.539 14.034 499 H GLY 82 HN GLY 82 10.150 -15.242 13.471 500 1HA GLY 82 HA1 GLY 82 8.636 -15.448 15.838 501 2HA GLY 82 HA2 GLY 82 8.286 -16.271 14.324 502 H ASN 83 HN ASN 83 8.088 -13.683 12.877 503 HA ASN 83 HA ASN 83 5.354 -13.047 13.720 504 1HB ASN 83 HB2 ASN 83 5.795 -10.630 13.275 505 2HB ASN 83 HB1 ASN 83 6.675 -11.262 14.664 506 1HD2 ASN 83 1HD2 ASN 83 8.607 -10.407 14.783 507 2HD2 ASN 83 2HD2 ASN 83 9.666 -10.079 13.458 508 H TRP 84 HN TRP 84 3.939 -12.758 12.077 509 HA TRP 84 HA TRP 84 4.700 -13.594 9.472 510 1HB TRP 84 HB2 TRP 84 2.172 -12.615 10.734 511 2HB TRP 84 HB1 TRP 84 2.272 -12.693 8.978 512 HD1 TRP 84 HD1 TRP 84 0.809 -14.648 11.479 513 HE1 TRP 84 HE1 TRP 84 0.835 -17.171 10.970 514 HE3 TRP 84 HE3 TRP 84 4.399 -14.705 7.839 515 HZ2 TRP 84 HZ2 TRP 84 2.197 -18.949 9.253 516 HZ3 TRP 84 HZ3 TRP 84 5.005 -16.858 6.814 517 HH2 TRP 84 HH2 TRP 84 3.925 -18.935 7.508 518 H CYS 85 HN CYS 85 6.135 -12.255 8.479 519 HA CYS 85 HA CYS 85 5.610 -9.392 8.362 520 1HB CYS 85 HB2 CYS 85 7.873 -9.578 8.613 521 2HB CYS 85 HB1 CYS 85 7.947 -11.125 7.770 522 H GLY 86 HN GLY 86 5.648 -8.237 6.406 523 1HA GLY 86 HA1 GLY 86 4.278 -8.062 4.396 524 2HA GLY 86 HA2 GLY 86 4.677 -9.750 4.065 525 H ILE 87 HN ILE 87 6.305 -10.024 2.625 526 HA ILE 87 HA ILE 87 8.817 -9.003 2.831 527 HB ILE 87 HB ILE 87 7.392 -10.517 0.879 528 1HG1 ILE 87 2HG1 ILE 87 9.502 -11.567 0.545 529 2HG1 ILE 87 1HG1 ILE 87 10.376 -10.142 1.097 530 1HG2 ILE 87 3HG2 ILE 87 9.254 -8.482 -0.336 531 2HG2 ILE 87 2HG2 ILE 87 8.590 -9.887 -1.168 532 3HG2 ILE 87 1HG2 ILE 87 7.516 -8.604 -0.610 533 1HD1 ILE 87 1HD1 ILE 87 8.522 -11.619 2.917 534 2HD1 ILE 87 3HD1 ILE 87 10.186 -12.151 2.663 535 3HD1 ILE 87 2HD1 ILE 87 9.864 -10.548 3.322 536 H LYS 88 HN LYS 88 9.795 -7.176 2.538 537 HA LYS 88 HA LYS 88 8.718 -4.730 2.222 538 1HB LYS 88 HB2 LYS 88 11.335 -5.111 0.861 539 2HB LYS 88 HB1 LYS 88 10.833 -3.866 1.991 540 1HG LYS 88 HG2 LYS 88 11.670 -6.683 2.617 541 2HG LYS 88 HG1 LYS 88 12.492 -5.186 3.052 542 1HD LYS 88 HD2 LYS 88 9.702 -5.500 3.988 543 2HD LYS 88 HD1 LYS 88 10.915 -6.532 4.744 544 1HE LYS 88 HE2 LYS 88 11.129 -3.533 4.514 545 2HE LYS 88 HE1 LYS 88 10.527 -4.381 5.937 546 1HZ LYS 88 HZ2 LYS 88 13.155 -5.132 4.880 547 2HZ LYS 88 HZ1 LYS 88 13.025 -3.679 5.735 548 3HZ LYS 88 HZ3 LYS 88 12.592 -5.138 6.475 549 H ASN 89 HN ASN 89 8.492 -3.190 0.562 550 HA ASN 89 HA ASN 89 7.422 -4.223 -1.854 551 1HB ASN 89 HB2 ASN 89 6.778 -2.043 -2.339 552 2HB ASN 89 HB1 ASN 89 6.869 -2.006 -0.582 553 1HD2 ASN 89 1HD2 ASN 89 9.690 -1.899 -0.363 554 2HD2 ASN 89 2HD2 ASN 89 10.202 -0.346 -0.915 555 H SER 90 HN SER 90 10.577 -3.598 -0.856 556 HA SER 90 HA SER 90 11.613 -2.991 -3.498 557 1HB SER 90 HB2 SER 90 12.742 -1.840 -1.767 558 2HB SER 90 HB1 SER 90 12.846 -3.287 -0.765 559 HG SER 90 HG SER 90 14.349 -2.578 -3.035 560 H CYS 91 HN CYS 91 11.181 -5.675 -1.376 561 HA CYS 91 HA CYS 91 12.961 -7.408 -2.878 562 1HB CYS 91 HB2 CYS 91 11.171 -7.969 -0.507 563 2HB CYS 91 HB1 CYS 91 12.297 -9.114 -1.216 564 H LYS 92 HN LYS 92 11.331 -6.711 -4.721 565 HA LYS 92 HA LYS 92 9.304 -8.835 -4.900 566 1HB LYS 92 HB2 LYS 92 9.182 -6.102 -6.182 567 2HB LYS 92 HB1 LYS 92 7.959 -7.359 -6.304 568 1HG LYS 92 HG2 LYS 92 7.369 -7.140 -4.024 569 2HG LYS 92 HG1 LYS 92 8.784 -6.142 -3.683 570 1HD LYS 92 HD2 LYS 92 6.696 -4.828 -3.825 571 2HD LYS 92 HD1 LYS 92 7.888 -4.342 -5.029 572 1HE LYS 92 HE2 LYS 92 6.555 -4.907 -6.732 573 2HE LYS 92 HE1 LYS 92 6.103 -6.438 -5.979 574 1HZ LYS 92 HZ2 LYS 92 4.587 -5.102 -4.523 575 2HZ LYS 92 HZ1 LYS 92 4.896 -3.770 -5.517 576 3HZ LYS 92 HZ3 LYS 92 4.149 -5.147 -6.156 577 H GLN 93 HN GLN 93 11.374 -6.691 -6.812 578 HA GLN 93 HA GLN 93 12.319 -8.887 -8.383 579 1HB GLN 93 HB2 GLN 93 11.567 -7.546 -10.541 580 2HB GLN 93 HB1 GLN 93 10.546 -8.768 -9.802 581 1HG GLN 93 HG2 GLN 93 10.073 -6.183 -8.622 582 2HG GLN 93 HG1 GLN 93 9.884 -6.128 -10.374 583 1HE2 GLN 93 1HE2 GLN 93 8.901 -8.610 -10.916 584 2HE2 GLN 93 2HE2 GLN 93 7.346 -8.801 -10.188 585 H GLN 94 HN GLN 94 11.976 -5.562 -9.503 586 HA GLN 94 HA GLN 94 14.748 -4.982 -8.796 587 1HB GLN 94 HB2 GLN 94 13.642 -5.060 -11.595 588 2HB GLN 94 HB1 GLN 94 15.031 -4.065 -11.186 589 1HG GLN 94 HG2 GLN 94 16.411 -5.808 -11.171 590 2HG GLN 94 HG1 GLN 94 15.289 -6.801 -10.242 591 1HE2 GLN 94 1HE2 GLN 94 14.784 -5.275 -13.379 592 2HE2 GLN 94 2HE2 GLN 94 14.560 -6.745 -14.261 593 HA PRO 95 HA PRO 95 13.472 -0.867 -7.909 594 1HB PRO 95 HB2 PRO 95 15.183 0.611 -9.568 595 2HB PRO 95 HB1 PRO 95 15.527 0.092 -7.916 596 1HG PRO 95 HG2 PRO 95 16.353 -1.139 -10.501 597 2HG PRO 95 HG1 PRO 95 17.243 -1.028 -8.971 598 1HD PRO 95 HD2 PRO 95 16.107 -3.321 -9.749 599 2HD PRO 95 HD1 PRO 95 16.110 -2.833 -8.041 600 H GLN 96 HN GLN 96 11.413 -1.102 -8.910 601 HA GLN 96 HA GLN 96 10.943 -0.670 -11.658 602 1HB GLN 96 HB2 GLN 96 9.333 -0.969 -9.223 603 2HB GLN 96 HB1 GLN 96 8.591 0.061 -10.440 604 1HG GLN 96 HG2 GLN 96 9.700 -2.595 -11.223 605 2HG GLN 96 HG1 GLN 96 8.129 -2.494 -10.427 606 1HE2 GLN 96 1HE2 GLN 96 7.964 -3.549 -12.776 607 2HE2 GLN 96 2HE2 GLN 96 7.388 -2.449 -13.976 608 H ASN 97 HN ASN 97 11.726 1.158 -12.546 609 HA ASN 97 HA ASN 97 10.369 3.587 -12.208 610 1HB ASN 97 HB2 ASN 97 12.367 4.919 -11.328 611 2HB ASN 97 HB1 ASN 97 11.476 3.955 -10.153 612 1HD2 ASN 97 1HD2 ASN 97 13.380 4.080 -8.849 613 2HD2 ASN 97 2HD2 ASN 97 14.704 3.009 -9.143 614 H ASN 98 HN ASN 98 10.457 4.455 -14.164 615 HA ASN 98 HA ASN 98 12.347 3.613 -16.114 616 1HB ASN 98 HB2 ASN 98 9.853 4.822 -16.165 617 2HB ASN 98 HB1 ASN 98 10.929 6.080 -16.765 618 1HD2 ASN 98 1HD2 ASN 98 12.680 5.025 -18.306 619 2HD2 ASN 98 2HD2 ASN 98 12.000 4.067 -19.572 620 H ASN 99 HN ASN 99 14.281 4.414 -16.606 621 HA ASN 99 HA ASN 99 15.539 6.380 -15.054 622 1HB ASN 99 HB2 ASN 99 16.694 4.579 -16.363 623 2HB ASN 99 HB1 ASN 99 16.351 5.493 -17.829 624 1HD2 ASN 99 1HD2 ASN 99 17.690 6.069 -14.590 625 2HD2 ASN 99 2HD2 ASN 99 19.022 7.029 -15.128 626 H GLN 100 HN GLN 100 16.446 8.435 -15.793 627 HA GLN 100 HA GLN 100 14.472 10.164 -16.791 628 1HB GLN 100 HB2 GLN 100 16.285 11.857 -16.862 629 2HB GLN 100 HB1 GLN 100 16.214 10.989 -15.335 630 1HG GLN 100 HG2 GLN 100 18.132 9.727 -15.844 631 2HG GLN 100 HG1 GLN 100 18.087 10.200 -17.541 632 1HE2 GLN 100 1HE2 GLN 100 19.041 12.063 -18.170 633 2HE2 GLN 100 2HE2 GLN 100 19.911 13.114 -17.109 No H/Q in entry = 633
Contact the webmaster for help, if required. Saturday, June 1, 2024 5:22:29 AM GMT (wattos1)