NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22047 | 2j4m | 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 HT1 ALA 1 5.969 5.716 -7.478 2 H2 ALA 1 HT3 ALA 1 6.306 4.267 -6.626 3 H3 ALA 1 HT2 ALA 1 4.693 4.639 -7.079 4 HA ALA 1 HA ALA 1 5.025 5.033 -4.777 5 1HB ALA 1 HB2 ALA 1 6.805 6.089 -3.909 6 2HB ALA 1 HB3 ALA 1 6.824 7.316 -5.176 7 3HB ALA 1 HB1 ALA 1 7.554 5.738 -5.466 8 H MET 2 HN MET 2 3.079 5.643 -6.468 9 HA MET 2 HA MET 2 2.057 8.090 -5.464 10 1HB MET 2 HB2 MET 2 3.644 8.928 -7.223 11 2HB MET 2 HB1 MET 2 2.663 8.101 -8.423 12 1HG MET 2 HG2 MET 2 1.010 9.631 -8.333 13 2HG MET 2 HG1 MET 2 1.231 9.930 -6.610 14 1HE MET 2 HE2 MET 2 3.210 11.114 -5.631 15 2HE MET 2 HE1 MET 2 4.587 10.767 -6.678 16 3HE MET 2 HE3 MET 2 4.084 12.436 -6.407 17 H ALA 3 HN ALA 3 0.350 6.709 -4.908 18 HA ALA 3 HA ALA 3 -1.637 6.389 -6.978 19 1HB ALA 3 HB1 ALA 3 -1.664 4.148 -7.215 20 2HB ALA 3 HB2 ALA 3 -1.210 3.858 -5.535 21 3HB ALA 3 HB3 ALA 3 0.024 4.282 -6.722 22 H CYS 4 HN CYS 4 -1.346 7.844 -4.478 23 HA CYS 4 HA CYS 4 -2.843 6.601 -2.422 24 1HB CYS 4 HB2 CYS 4 -3.009 8.892 -1.473 25 2HB CYS 4 HB1 CYS 4 -1.362 8.441 -1.904 26 H TRP 5 HN TRP 5 -4.986 6.865 -1.802 27 HA TRP 5 HA TRP 5 -6.834 7.290 -3.967 28 1HB TRP 5 HB2 TRP 5 -8.557 6.777 -2.166 29 2HB TRP 5 HB1 TRP 5 -7.388 5.504 -2.504 30 HD1 TRP 5 HD1 TRP 5 -6.078 4.589 -0.490 31 HE1 TRP 5 HE1 TRP 5 -5.814 5.249 1.985 32 HE3 TRP 5 HE3 TRP 5 -8.561 9.018 -0.606 33 HZ2 TRP 5 HZ2 TRP 5 -6.586 7.391 3.666 34 HZ3 TRP 5 HZ3 TRP 5 -8.771 10.325 1.469 35 HH2 TRP 5 HH2 TRP 5 -7.802 9.526 3.563 36 H ALA 6 HN ALA 6 -5.409 9.270 -1.617 37 HA ALA 6 HA ALA 6 -7.579 11.081 -1.196 38 1HB ALA 6 HB3 ALA 6 -4.653 11.673 -0.814 39 2HB ALA 6 HB2 ALA 6 -6.030 12.430 -0.012 40 3HB ALA 6 HB1 ALA 6 -5.614 10.754 0.345 41 H GLN 7 HN GLN 7 -4.948 10.835 -3.504 42 HA GLN 7 HA GLN 7 -5.084 13.456 -4.531 43 1HB GLN 7 HB2 GLN 7 -3.891 12.561 -6.480 44 2HB GLN 7 HB1 GLN 7 -3.177 12.002 -4.974 45 1HG GLN 7 HG2 GLN 7 -3.356 9.919 -5.680 46 2HG GLN 7 HG1 GLN 7 -5.110 10.095 -5.724 47 1HE2 GLN 7 1HE2 GLN 7 -2.160 10.405 -7.590 48 2HE2 GLN 7 2HE2 GLN 7 -2.902 10.265 -9.144 49 H SER 8 HN SER 8 -6.990 10.600 -5.107 50 HA SER 8 HA SER 8 -8.154 11.208 -7.555 51 1HB SER 8 HB2 SER 8 -8.444 9.182 -5.788 52 2HB SER 8 HB1 SER 8 -9.952 10.049 -5.503 53 HG SER 8 HG SER 8 -9.675 8.348 -7.322 54 H GLN 9 HN GLN 9 -8.627 12.647 -4.445 55 HA GLN 9 HA GLN 9 -11.025 14.062 -5.339 56 1HB GLN 9 HB2 GLN 9 -9.716 14.274 -2.633 57 2HB GLN 9 HB1 GLN 9 -11.368 14.685 -3.072 58 1HG GLN 9 HG2 GLN 9 -11.585 12.175 -3.649 59 2HG GLN 9 HG1 GLN 9 -10.138 11.995 -2.657 60 1HE2 GLN 9 1HE2 GLN 9 -10.343 11.941 -0.510 61 2HE2 GLN 9 2HE2 GLN 9 -11.813 12.217 0.355 62 H GLY 10 HN GLY 10 -7.641 14.554 -4.644 63 1HA GLY 10 HA1 GLY 10 -7.944 17.459 -4.907 64 2HA GLY 10 HA2 GLY 10 -6.982 16.619 -6.113 65 H TYR 11 HN TYR 11 -6.946 15.460 -2.846 66 HA TYR 11 HA TYR 11 -4.826 17.031 -1.849 67 1HB TYR 11 HB2 TYR 11 -6.143 14.479 -1.071 68 2HB TYR 11 HB1 TYR 11 -4.553 14.800 -0.391 69 HD1 TYR 11 HD1 TYR 11 -8.068 15.706 -0.363 70 HD2 TYR 11 HD2 TYR 11 -4.206 16.772 1.076 71 HE1 TYR 11 HE1 TYR 11 -9.104 17.131 1.349 72 HE2 TYR 11 HE2 TYR 11 -5.234 18.199 2.791 73 HH TYR 11 HH TYR 11 -8.568 19.005 2.759 74 H ASN 12 HN ASN 12 -2.849 15.438 -0.950 75 HA ASN 12 HA ASN 12 -1.648 14.299 -3.388 76 1HB ASN 12 HB2 ASN 12 -0.638 16.476 -2.839 77 2HB ASN 12 HB1 ASN 12 -0.251 15.892 -1.224 78 1HD2 ASN 12 1HD2 ASN 12 1.932 16.089 -1.392 79 2HD2 ASN 12 2HD2 ASN 12 2.899 15.129 -2.454 80 H CYS 13 HN CYS 13 0.106 12.721 -2.946 81 HA CYS 13 HA CYS 13 -0.748 10.859 -0.927 82 1HB CYS 13 HB2 CYS 13 1.700 10.592 -2.661 83 2HB CYS 13 HB1 CYS 13 0.727 9.315 -1.940 84 H CYS 14 HN CYS 14 0.405 10.143 0.845 85 HA CYS 14 HA CYS 14 2.480 11.988 1.793 86 1HB CYS 14 HB2 CYS 14 0.270 10.682 3.041 87 2HB CYS 14 HB1 CYS 14 1.752 10.102 3.790 88 H ASN 15 HN ASN 15 4.457 11.321 1.234 89 HA ASN 15 HA ASN 15 5.273 8.784 0.557 90 1HB ASN 15 HB2 ASN 15 7.385 9.668 0.459 91 2HB ASN 15 HB1 ASN 15 6.443 11.150 0.507 92 1HD2 ASN 15 1HD2 ASN 15 5.796 11.038 3.280 93 2HD2 ASN 15 2HD2 ASN 15 7.246 11.368 4.159 94 H ASN 16 HN ASN 16 6.429 7.131 1.682 95 HA ASN 16 HA ASN 16 6.574 5.610 3.379 96 1HB ASN 16 HB2 ASN 16 7.070 8.034 5.113 97 2HB ASN 16 HB1 ASN 16 7.625 6.388 5.400 98 1HD2 ASN 16 1HD2 ASN 16 8.417 9.373 4.167 99 2HD2 ASN 16 2HD2 ASN 16 9.833 8.932 3.281 100 HA PRO 17 HA PRO 17 2.234 6.975 4.849 101 1HB PRO 17 HB2 PRO 17 0.954 4.861 3.619 102 2HB PRO 17 HB1 PRO 17 1.091 6.486 2.941 103 1HG PRO 17 HG2 PRO 17 2.721 4.048 2.367 104 2HG PRO 17 HG1 PRO 17 2.124 5.288 1.249 105 1HD PRO 17 HD2 PRO 17 4.677 5.249 2.076 106 2HD PRO 17 HD1 PRO 17 3.811 6.775 1.798 107 H SER 18 HN SER 18 4.222 4.155 4.862 108 HA SER 18 HA SER 18 2.608 2.673 6.728 109 1HB SER 18 HB2 SER 18 4.477 1.898 4.955 110 2HB SER 18 HB1 SER 18 5.479 1.999 6.402 111 HG SER 18 HG SER 18 3.387 0.269 5.796 112 H SER 19 HN SER 19 4.331 5.418 7.130 113 HA SER 19 HA SER 19 4.686 4.896 9.972 114 1HB SER 19 HB2 SER 19 6.887 4.466 8.742 115 2HB SER 19 HB1 SER 19 6.917 6.197 8.410 116 HG SER 19 HG SER 19 7.187 4.839 10.844 117 H THR 20 HN THR 20 2.854 6.474 8.291 118 HA THR 20 HA THR 20 3.582 9.217 8.954 119 HB THR 20 HB THR 20 1.575 7.927 7.137 120 HG1 THR 20 HG1 THR 20 3.393 8.435 6.087 121 1HG2 THR 20 2HG2 THR 20 1.506 10.812 7.964 122 2HG2 THR 20 1HG2 THR 20 0.613 10.100 6.621 123 3HG2 THR 20 3HG2 THR 20 0.267 9.597 8.274 124 H LYS 21 HN LYS 21 2.286 10.536 10.249 125 HA LYS 21 HA LYS 21 0.699 9.093 12.217 126 1HB LYS 21 HB2 LYS 21 2.358 10.675 13.041 127 2HB LYS 21 HB1 LYS 21 1.617 11.973 12.114 128 1HG LYS 21 HG2 LYS 21 0.852 12.313 14.284 129 2HG LYS 21 HG1 LYS 21 -0.492 11.497 13.482 130 1HD LYS 21 HD2 LYS 21 0.201 9.373 14.451 131 2HD LYS 21 HD1 LYS 21 1.581 10.160 15.220 132 1HE LYS 21 HE2 LYS 21 -1.280 10.945 15.735 133 2HE LYS 21 HE1 LYS 21 -0.409 9.761 16.709 134 1HZ LYS 21 HZ3 LYS 21 0.924 12.312 16.313 135 2HZ LYS 21 HZ2 LYS 21 -0.470 12.354 17.269 136 3HZ LYS 21 HZ1 LYS 21 0.819 11.347 17.699 137 H VAL 22 HN VAL 22 -1.401 8.821 11.822 138 HA VAL 22 HA VAL 22 -2.836 10.681 10.135 139 HB VAL 22 HB VAL 22 -3.715 8.073 11.389 140 1HG1 VAL 22 2HG1 VAL 22 -5.539 9.726 10.883 141 2HG1 VAL 22 1HG1 VAL 22 -5.075 9.607 9.186 142 3HG1 VAL 22 3HG1 VAL 22 -5.668 8.183 10.041 143 1HG2 VAL 22 1HG2 VAL 22 -1.876 8.211 9.511 144 2HG2 VAL 22 3HG2 VAL 22 -3.135 6.977 9.470 145 3HG2 VAL 22 2HG2 VAL 22 -3.283 8.421 8.469 146 H GLU 23 HN GLU 23 -3.179 12.477 11.356 147 HA GLU 23 HA GLU 23 -4.324 12.220 14.019 148 1HB GLU 23 HB2 GLU 23 -4.392 14.881 13.567 149 2HB GLU 23 HB1 GLU 23 -2.982 14.044 14.197 150 1HG GLU 23 HG2 GLU 23 -1.883 14.102 12.137 151 2HG GLU 23 HG1 GLU 23 -3.367 14.461 11.256 152 H TYR 24 HN TYR 24 -5.461 11.968 10.995 153 HA TYR 24 HA TYR 24 -8.120 12.924 11.817 154 1HB TYR 24 HB2 TYR 24 -6.928 14.572 10.268 155 2HB TYR 24 HB1 TYR 24 -7.122 13.355 9.011 156 HD1 TYR 24 HD1 TYR 24 -8.633 16.100 10.678 157 HD2 TYR 24 HD2 TYR 24 -9.529 12.514 8.571 158 HE1 TYR 24 HE1 TYR 24 -10.903 16.937 10.229 159 HE2 TYR 24 HE2 TYR 24 -11.802 13.339 8.116 160 HH TYR 24 HH TYR 24 -12.912 15.670 7.946 161 H THR 25 HN THR 25 -9.852 11.748 11.076 162 HA THR 25 HA THR 25 -9.593 9.764 9.040 163 HB THR 25 HB THR 25 -10.067 8.710 11.827 164 HG1 THR 25 HG1 THR 25 -7.694 8.574 10.279 165 1HG2 THR 25 3HG2 THR 25 -10.434 7.581 9.264 166 2HG2 THR 25 2HG2 THR 25 -9.044 6.789 10.010 167 3HG2 THR 25 1HG2 THR 25 -10.599 6.809 10.842 168 H ASP 26 HN ASP 26 -11.504 9.422 8.133 169 HA ASP 26 HA ASP 26 -13.959 9.573 9.657 170 1HB ASP 26 HB2 ASP 26 -13.111 11.936 8.672 171 2HB ASP 26 HB1 ASP 26 -13.975 11.330 7.262 172 H ALA 27 HN ALA 27 -15.482 10.038 7.112 173 HA ALA 27 HA ALA 27 -15.409 7.288 6.208 174 1HB ALA 27 HB3 ALA 27 -17.598 7.921 6.422 175 2HB ALA 27 HB2 ALA 27 -17.289 9.573 5.890 176 3HB ALA 27 HB1 ALA 27 -17.346 8.263 4.711 177 H SER 28 HN SER 28 -13.494 9.724 5.452 178 HA SER 28 HA SER 28 -13.546 9.271 2.552 179 1HB SER 28 HB2 SER 28 -11.898 11.354 3.983 180 2HB SER 28 HB1 SER 28 -12.369 11.311 2.284 181 HG SER 28 HG SER 28 -13.766 12.714 3.172 182 H GLY 29 HN GLY 29 -11.760 8.710 5.451 183 1HA GLY 29 HA1 GLY 29 -9.489 7.672 3.884 184 2HA GLY 29 HA2 GLY 29 -10.268 6.689 5.116 185 H GLN 30 HN GLN 30 -7.599 7.111 5.297 186 HA GLN 30 HA GLN 30 -7.426 8.668 7.755 187 1HB GLN 30 HB2 GLN 30 -5.372 6.839 6.501 188 2HB GLN 30 HB1 GLN 30 -5.325 7.505 8.126 189 1HG GLN 30 HG2 GLN 30 -7.001 6.111 8.890 190 2HG GLN 30 HG1 GLN 30 -7.626 5.809 7.270 191 1HE2 GLN 30 1HE2 GLN 30 -4.291 5.639 8.398 192 2HE2 GLN 30 2HE2 GLN 30 -4.078 3.954 8.080 193 H TRP 31 HN TRP 31 -6.309 10.521 7.967 194 HA TRP 31 HA TRP 31 -4.578 11.366 5.742 195 1HB TRP 31 HB2 TRP 31 -6.296 13.323 7.250 196 2HB TRP 31 HB1 TRP 31 -5.480 13.542 5.707 197 HD1 TRP 31 HD1 TRP 31 -8.409 11.439 7.148 198 HE1 TRP 31 HE1 TRP 31 -10.171 11.171 5.292 199 HE3 TRP 31 HE3 TRP 31 -5.940 13.796 3.343 200 HZ2 TRP 31 HZ2 TRP 31 -10.472 11.871 2.570 201 HZ3 TRP 31 HZ3 TRP 31 -7.034 13.952 1.145 202 HH2 TRP 31 HH2 TRP 31 -9.254 13.010 0.769 203 H GLY 32 HN GLY 32 -2.882 12.817 6.303 204 1HA GLY 32 HA1 GLY 32 -1.418 12.211 8.532 205 2HA GLY 32 HA2 GLY 32 -2.425 13.559 9.038 206 H VAL 33 HN VAL 33 -0.480 14.776 9.352 207 HA VAL 33 HA VAL 33 0.397 16.058 6.879 208 HB VAL 33 HB VAL 33 0.801 16.868 9.762 209 1HG1 VAL 33 3HG1 VAL 33 2.235 17.660 7.419 210 2HG1 VAL 33 2HG1 VAL 33 1.284 19.027 8.004 211 3HG1 VAL 33 1HG1 VAL 33 2.425 18.222 9.080 212 1HG2 VAL 33 2HG2 VAL 33 -1.085 17.751 7.604 213 2HG2 VAL 33 1HG2 VAL 33 -1.446 17.249 9.256 214 3HG2 VAL 33 3HG2 VAL 33 -0.673 18.806 8.956 215 H GLN 34 HN GLN 34 2.124 15.207 5.935 216 HA GLN 34 HA GLN 34 4.348 14.321 7.652 217 1HB GLN 34 HB2 GLN 34 3.160 12.569 6.207 218 2HB GLN 34 HB1 GLN 34 3.895 13.377 4.827 219 1HG GLN 34 HG2 GLN 34 5.728 12.189 5.131 220 2HG GLN 34 HG1 GLN 34 5.945 12.949 6.706 221 1HE2 GLN 34 1HE2 GLN 34 5.932 10.083 5.280 222 2HE2 GLN 34 2HE2 GLN 34 5.319 9.081 6.548 223 H ASN 35 HN ASN 35 6.317 15.184 7.320 224 HA ASN 35 HA ASN 35 7.831 16.757 6.699 225 1HB ASN 35 HB2 ASN 35 8.552 16.651 4.448 226 2HB ASN 35 HB1 ASN 35 7.892 15.059 4.804 227 1HD2 ASN 35 1HD2 ASN 35 6.196 14.316 3.658 228 2HD2 ASN 35 2HD2 ASN 35 5.438 15.182 2.369 229 H GLY 36 HN GLY 36 5.103 17.691 7.228 230 1HA GLY 36 HA1 GLY 36 5.456 20.391 6.367 231 2HA GLY 36 HA2 GLY 36 4.103 19.765 7.296 232 H GLN 37 HN GLN 37 3.115 17.852 5.528 233 HA GLN 37 HA GLN 37 1.762 19.579 3.651 234 1HB GLN 37 HB2 GLN 37 3.298 17.200 2.596 235 2HB GLN 37 HB1 GLN 37 2.307 18.310 1.659 236 1HG GLN 37 HG2 GLN 37 3.875 20.138 2.321 237 2HG GLN 37 HG1 GLN 37 4.911 18.904 3.039 238 1HE2 GLN 37 1HE2 GLN 37 3.078 19.178 0.009 239 2HE2 GLN 37 2HE2 GLN 37 4.407 18.797 -1.028 240 H TRP 38 HN TRP 38 -0.294 18.941 3.354 241 HA TRP 38 HA TRP 38 -1.333 16.754 4.837 242 1HB TRP 38 HB2 TRP 38 -2.444 18.782 2.955 243 2HB TRP 38 HB1 TRP 38 -3.399 17.335 3.251 244 HD1 TRP 38 HD1 TRP 38 -3.562 20.624 4.313 245 HE1 TRP 38 HE1 TRP 38 -4.325 20.910 6.756 246 HE3 TRP 38 HE3 TRP 38 -2.696 15.874 5.996 247 HZ2 TRP 38 HZ2 TRP 38 -4.533 19.331 9.085 248 HZ3 TRP 38 HZ3 TRP 38 -3.207 15.345 8.347 249 HH2 TRP 38 HH2 TRP 38 -4.106 17.039 9.856 250 H CYS 39 HN CYS 39 -1.957 14.732 4.199 251 HA CYS 39 HA CYS 39 -2.314 13.928 1.530 252 1HB CYS 39 HB2 CYS 39 -0.184 12.286 1.793 253 2HB CYS 39 HB1 CYS 39 -0.144 13.800 0.905 254 H GLY 40 HN GLY 40 -3.229 11.932 1.385 255 1HA GLY 40 HA1 GLY 40 -4.431 10.135 2.177 256 2HA GLY 40 HA2 GLY 40 -4.181 10.758 3.802 257 H ILE 41 HN ILE 41 -3.947 8.487 4.384 258 HA ILE 41 HA ILE 41 -1.159 7.653 4.100 259 HB ILE 41 HB ILE 41 -3.280 7.143 6.141 260 1HG1 ILE 41 2HG1 ILE 41 -1.289 7.597 7.637 261 2HG1 ILE 41 1HG1 ILE 41 -0.378 7.962 6.175 262 1HG2 ILE 41 2HG2 ILE 41 -0.998 5.302 5.520 263 2HG2 ILE 41 1HG2 ILE 41 -1.657 5.440 7.151 264 3HG2 ILE 41 3HG2 ILE 41 -2.691 4.910 5.825 265 1HD1 ILE 41 3HD1 ILE 41 -2.945 9.367 6.508 266 2HD1 ILE 41 2HD1 ILE 41 -1.643 9.812 7.610 267 3HD1 ILE 41 1HD1 ILE 41 -1.406 9.940 5.867 268 H ASP 42 HN ASP 42 -0.975 6.536 2.245 269 HA ASP 42 HA ASP 42 -2.762 4.226 1.846 270 1HB ASP 42 HB2 ASP 42 -1.385 6.051 -0.106 271 2HB ASP 42 HB1 ASP 42 -1.873 4.427 -0.582 272 H TYR 43 HN TYR 43 -1.607 2.648 2.908 273 HA TYR 43 HA TYR 43 1.195 2.371 2.827 274 1HB TYR 43 HB2 TYR 43 -0.707 0.067 3.209 275 2HB TYR 43 HB1 TYR 43 0.904 0.275 3.886 276 HD1 TYR 43 HD1 TYR 43 0.802 2.960 5.021 277 HD2 TYR 43 HD2 TYR 43 -2.166 -0.089 5.000 278 HE1 TYR 43 HE1 TYR 43 -0.179 3.907 7.070 279 HE2 TYR 43 HE2 TYR 43 -3.153 0.848 7.047 280 HH TYR 43 HH TYR 43 -1.754 2.684 9.089 281 H SER 44 HN SER 44 -1.185 1.668 0.476 282 HA SER 44 HA SER 44 0.817 0.206 -1.110 283 1HB SER 44 HB2 SER 44 -2.035 -0.477 -0.566 284 2HB SER 44 HB1 SER 44 -1.392 -0.825 -2.171 285 HG SER 44 HG SER 44 -1.040 -2.191 0.091 286 H TYR 45 HN TYR 45 0.746 2.878 -1.364 287 HA TYR 45 HA TYR 45 -1.073 3.598 -3.505 288 1HB TYR 45 HB2 TYR 45 -0.588 5.792 -3.042 289 2HB TYR 45 HB1 TYR 45 -0.223 5.070 -1.484 290 HD1 TYR 45 HD1 TYR 45 2.435 3.811 -2.381 291 HD2 TYR 45 HD2 TYR 45 0.804 7.713 -2.798 292 HE1 TYR 45 HE1 TYR 45 4.701 4.735 -2.491 293 HE2 TYR 45 HE2 TYR 45 3.070 8.658 -2.900 294 HH TYR 45 HH TYR 45 5.343 8.077 -2.227 295 H GLY 46 HN GLY 46 0.975 1.555 -4.012 296 1HA GLY 46 HA1 GLY 46 2.022 2.726 -6.456 297 2HA GLY 46 HA2 GLY 46 2.029 1.022 -6.031 298 H GLN 47 HN GLN 47 3.458 0.586 -3.996 299 HA GLN 47 HA GLN 47 5.904 2.199 -4.138 300 1HB GLN 47 HB2 GLN 47 5.002 0.178 -2.078 301 2HB GLN 47 HB1 GLN 47 6.523 1.057 -2.022 302 1HG GLN 47 HG2 GLN 47 4.246 2.824 -2.322 303 2HG GLN 47 HG1 GLN 47 4.135 1.822 -0.876 304 1HE2 GLN 47 1HE2 GLN 47 4.703 3.076 0.760 305 2HE2 GLN 47 2HE2 GLN 47 6.133 4.042 0.843 306 H ASN 48 HN ASN 48 7.859 0.570 -3.403 307 HA ASN 48 HA ASN 48 8.148 -1.166 -5.697 308 1HB ASN 48 HB2 ASN 48 10.112 -0.646 -3.457 309 2HB ASN 48 HB1 ASN 48 10.467 -1.366 -5.024 310 1HD2 ASN 48 1HD2 ASN 48 12.004 0.642 -4.438 311 2HD2 ASN 48 2HD2 ASN 48 11.556 2.089 -5.269 312 H GLN 49 HN GLN 49 8.824 -3.378 -5.561 313 HA GLN 49 HA GLN 49 7.487 -4.789 -3.401 314 1HB GLN 49 HB2 GLN 49 6.820 -5.851 -5.294 315 2HB GLN 49 HB1 GLN 49 8.260 -5.394 -6.193 316 1HG GLN 49 HG2 GLN 49 8.327 -7.533 -4.091 317 2HG GLN 49 HG1 GLN 49 7.826 -7.870 -5.744 318 1HE2 GLN 49 1HE2 GLN 49 9.437 -6.694 -7.359 319 2HE2 GLN 49 2HE2 GLN 49 11.097 -7.085 -7.081 320 H GLY 50 HN GLY 50 10.359 -3.449 -3.539 321 1HA GLY 50 HA1 GLY 50 12.338 -3.777 -2.437 322 2HA GLY 50 HA2 GLY 50 12.290 -5.404 -3.100 323 H ASN 51 HN ASN 51 9.617 -4.567 -1.141 324 HA ASN 51 HA ASN 51 8.844 -5.688 0.714 325 1HB ASN 51 HB2 ASN 51 10.760 -7.402 0.092 326 2HB ASN 51 HB1 ASN 51 11.552 -6.679 1.489 327 1HD2 ASN 51 1HD2 ASN 51 11.419 -8.675 2.567 328 2HD2 ASN 51 2HD2 ASN 51 9.936 -9.219 3.269 329 H GLU 52 HN GLU 52 9.375 -3.065 0.724 330 HA GLU 52 HA GLU 52 11.096 -2.325 2.908 331 1HB GLU 52 HB2 GLU 52 8.998 -0.619 1.567 332 2HB GLU 52 HB1 GLU 52 10.396 -0.071 2.482 333 1HG GLU 52 HG2 GLU 52 11.856 -1.059 0.739 334 2HG GLU 52 HG1 GLU 52 10.412 -1.442 -0.196 335 H SER 53 HN SER 53 7.757 -3.131 2.463 336 HA SER 53 HA SER 53 7.335 -3.112 5.321 337 1HB SER 53 HB2 SER 53 6.752 -0.770 4.342 338 2HB SER 53 HB1 SER 53 5.331 -1.580 3.684 339 HG SER 53 HG SER 53 5.354 -0.562 5.956 340 H CYS 54 HN CYS 54 4.603 -3.430 5.380 341 HA CYS 54 HA CYS 54 3.861 -5.439 3.428 342 1HB CYS 54 HB2 CYS 54 4.020 -7.290 4.721 343 2HB CYS 54 HB1 CYS 54 5.169 -6.339 5.650 344 H THR 55 HN THR 55 1.591 -6.297 3.950 345 HA THR 55 HA THR 55 -0.047 -3.996 4.654 346 HB THR 55 HB THR 55 -0.770 -6.678 3.453 347 HG1 THR 55 HG1 THR 55 -0.805 -5.632 1.576 348 1HG2 THR 55 2HG2 THR 55 -2.509 -4.315 4.091 349 2HG2 THR 55 1HG2 THR 55 -2.942 -5.533 2.886 350 3HG2 THR 55 3HG2 THR 55 -2.726 -5.996 4.576 351 H GLY 56 HN GLY 56 -1.996 -4.358 6.012 352 1HA GLY 56 HA1 GLY 56 -2.048 -6.589 7.798 353 2HA GLY 56 HA2 GLY 56 -3.039 -5.142 7.911 354 H ASN 57 HN ASN 57 -0.300 -3.661 7.765 355 HA ASN 57 HA ASN 57 0.875 -4.276 10.318 356 1HB ASN 57 HB2 ASN 57 1.426 -2.384 8.096 357 2HB ASN 57 HB1 ASN 57 1.991 -1.911 9.695 358 1HD2 ASN 57 1HD2 ASN 57 3.015 -3.221 6.977 359 2HD2 ASN 57 2HD2 ASN 57 4.212 -4.319 7.564 360 H GLY 58 HN GLY 58 -1.964 -2.853 9.578 361 1HA GLY 58 HA1 GLY 58 -3.074 -0.941 10.439 362 2HA GLY 58 HA2 GLY 58 -1.742 -0.703 11.559 363 H SER 59 HN SER 59 -2.363 -3.926 11.699 364 HA SER 59 HA SER 59 -3.705 -3.657 14.222 365 1HB SER 59 HB2 SER 59 -5.146 -5.145 12.019 366 2HB SER 59 HB1 SER 59 -5.690 -4.940 13.684 367 HG SER 59 HG SER 59 -6.382 -3.429 11.787 368 H TYR 60 HN TYR 60 -3.396 -6.208 11.742 369 HA TYR 60 HA TYR 60 -2.387 -8.021 13.796 370 1HB TYR 60 HB2 TYR 60 -2.609 -9.129 11.102 371 2HB TYR 60 HB1 TYR 60 -3.320 -9.689 12.609 372 HD1 TYR 60 HD1 TYR 60 -3.808 -7.568 9.658 373 HD2 TYR 60 HD2 TYR 60 -5.569 -9.058 13.232 374 HE1 TYR 60 HE1 TYR 60 -6.014 -6.822 8.874 375 HE2 TYR 60 HE2 TYR 60 -7.781 -8.312 12.459 376 HH TYR 60 HH TYR 60 -8.431 -7.446 9.302 377 HA PRO 61 HA PRO 61 1.736 -8.170 12.157 378 1HB PRO 61 HB2 PRO 61 2.458 -10.725 12.199 379 2HB PRO 61 HB1 PRO 61 1.955 -9.918 13.690 380 1HG PRO 61 HG2 PRO 61 0.398 -11.769 11.920 381 2HG PRO 61 HG1 PRO 61 0.481 -11.721 13.692 382 1HD PRO 61 HD2 PRO 61 -1.533 -10.592 12.168 383 2HD PRO 61 HD1 PRO 61 -1.135 -10.116 13.830 384 H CYS 62 HN CYS 62 3.279 -9.206 10.520 385 HA CYS 62 HA CYS 62 2.040 -9.123 7.926 386 1HB CYS 62 HB2 CYS 62 4.907 -9.616 8.763 387 2HB CYS 62 HB1 CYS 62 4.374 -9.463 7.093 388 H CYS 63 HN CYS 63 2.152 -10.806 6.339 389 HA CYS 63 HA CYS 63 1.903 -13.448 7.537 390 1HB CYS 63 HB2 CYS 63 0.577 -12.088 5.440 391 2HB CYS 63 HB1 CYS 63 1.407 -13.458 4.712 392 H ASN 64 HN ASN 64 3.419 -12.093 4.639 393 HA ASN 64 HA ASN 64 5.651 -12.361 3.977 394 1HB ASN 64 HB2 ASN 64 6.351 -13.381 6.098 395 2HB ASN 64 HB1 ASN 64 5.622 -14.908 5.613 396 1HD2 ASN 64 1HD2 ASN 64 6.627 -16.199 4.146 397 2HD2 ASN 64 2HD2 ASN 64 8.250 -15.936 3.612 398 H THR 65 HN THR 65 2.887 -13.992 3.419 399 HA THR 65 HA THR 65 4.059 -15.620 1.269 400 HB THR 65 HB THR 65 2.661 -16.785 2.997 401 HG1 THR 65 HG1 THR 65 1.664 -16.798 0.342 402 1HG2 THR 65 2HG2 THR 65 0.972 -15.079 3.385 403 2HG2 THR 65 1HG2 THR 65 0.390 -15.274 1.732 404 3HG2 THR 65 3HG2 THR 65 0.246 -16.605 2.880 405 H CYS 66 HN CYS 66 3.392 -15.338 -0.834 406 HA CYS 66 HA CYS 66 1.967 -12.849 -1.362 407 1HB CYS 66 HB2 CYS 66 3.199 -14.651 -3.443 408 2HB CYS 66 HB1 CYS 66 2.861 -12.926 -3.554 409 H GLN 67 HN GLN 67 0.366 -14.812 -0.314 410 HA GLN 67 HA GLN 67 -1.367 -15.462 -2.597 411 1HB GLN 67 HB2 GLN 67 -0.754 -17.603 -2.021 412 2HB GLN 67 HB1 GLN 67 -0.416 -17.175 -0.354 413 1HG GLN 67 HG2 GLN 67 -3.239 -16.958 -0.921 414 2HG GLN 67 HG1 GLN 67 -2.622 -18.553 -1.337 415 1HE2 GLN 67 1HE2 GLN 67 -1.410 -16.442 1.206 416 2HE2 GLN 67 2HE2 GLN 67 -1.840 -17.477 2.521 417 H ALA 68 HN ALA 68 -2.569 -13.603 -2.301 418 HA ALA 68 HA ALA 68 -3.698 -13.004 0.283 419 1HB ALA 68 HB3 ALA 68 -3.364 -11.599 -2.248 420 2HB ALA 68 HB2 ALA 68 -4.897 -11.275 -1.437 421 3HB ALA 68 HB1 ALA 68 -3.374 -10.991 -0.593 422 H THR 69 HN THR 69 -5.033 -14.680 0.702 423 HA THR 69 HA THR 69 -6.974 -15.742 -1.022 424 HB THR 69 HB THR 69 -6.651 -17.162 0.735 425 HG1 THR 69 HG1 THR 69 -8.733 -17.161 1.075 426 1HG2 THR 69 1HG2 THR 69 -6.363 -14.740 2.471 427 2HG2 THR 69 3HG2 THR 69 -6.541 -16.364 3.142 428 3HG2 THR 69 2HG2 THR 69 -5.169 -15.984 2.096 429 H TYR 70 HN TYR 70 -6.900 -12.794 0.783 430 HA TYR 70 HA TYR 70 -9.497 -12.102 -0.277 431 1HB TYR 70 HB2 TYR 70 -10.705 -12.003 1.646 432 2HB TYR 70 HB1 TYR 70 -9.583 -13.265 2.132 433 HD1 TYR 70 HD1 TYR 70 -8.519 -13.060 4.165 434 HD2 TYR 70 HD2 TYR 70 -9.895 -9.533 2.220 435 HE1 TYR 70 HE1 TYR 70 -7.865 -11.729 6.126 436 HE2 TYR 70 HE2 TYR 70 -9.245 -8.195 4.175 437 HH TYR 70 HH TYR 70 -7.205 -9.212 6.506 438 H THR 71 HN THR 71 -9.761 -9.949 -0.596 439 HA THR 71 HA THR 71 -7.590 -8.191 0.344 440 HB THR 71 HB THR 71 -9.121 -8.055 -2.260 441 HG1 THR 71 HG1 THR 71 -7.281 -8.722 -3.181 442 1HG2 THR 71 3HG2 THR 71 -8.396 -5.837 -1.138 443 2HG2 THR 71 2HG2 THR 71 -6.770 -6.337 -1.613 444 3HG2 THR 71 1HG2 THR 71 -8.019 -6.119 -2.840 445 H ASP 72 HN ASP 72 -8.148 -6.289 1.282 446 HA ASP 72 HA ASP 72 -11.023 -5.691 1.438 447 1HB ASP 72 HB2 ASP 72 -9.213 -6.310 3.545 448 2HB ASP 72 HB1 ASP 72 -9.660 -4.615 3.708 449 H GLY 73 HN GLY 73 -10.877 -3.297 2.799 450 1HA GLY 73 HA1 GLY 73 -10.793 -1.060 2.281 451 2HA GLY 73 HA2 GLY 73 -10.248 -1.511 0.674 452 H ASP 74 HN ASP 74 -8.138 -2.987 2.753 453 HA ASP 74 HA ASP 74 -6.353 -0.640 2.743 454 1HB ASP 74 HB2 ASP 74 -7.092 -2.419 4.872 455 2HB ASP 74 HB1 ASP 74 -5.364 -2.568 4.566 456 H GLY 75 HN GLY 75 -6.916 -3.247 0.982 457 1HA GLY 75 HA1 GLY 75 -4.055 -3.893 0.644 458 2HA GLY 75 HA2 GLY 75 -5.134 -3.632 -0.720 459 H ASP 76 HN ASP 76 -3.551 -5.976 -0.144 460 HA ASP 76 HA ASP 76 -5.702 -7.933 -0.277 461 1HB ASP 76 HB2 ASP 76 -2.900 -8.865 -0.466 462 2HB ASP 76 HB1 ASP 76 -4.286 -9.237 -1.484 463 H TRP 77 HN TRP 77 -5.278 -10.089 0.845 464 HA TRP 77 HA TRP 77 -3.840 -9.902 3.350 465 1HB TRP 77 HB2 TRP 77 -6.826 -10.349 3.366 466 2HB TRP 77 HB1 TRP 77 -5.761 -10.316 4.768 467 HD1 TRP 77 HD1 TRP 77 -7.358 -7.965 2.176 468 HE1 TRP 77 HE1 TRP 77 -7.294 -5.573 3.105 469 HE3 TRP 77 HE3 TRP 77 -4.546 -8.801 6.356 470 HZ2 TRP 77 HZ2 TRP 77 -6.202 -4.219 5.314 471 HZ3 TRP 77 HZ3 TRP 77 -4.038 -6.900 7.827 472 HH2 TRP 77 HH2 TRP 77 -4.847 -4.653 7.315 473 H ALA 78 HN ALA 78 -3.556 -11.865 4.416 474 HA ALA 78 HA ALA 78 -4.569 -14.272 3.118 475 1HB ALA 78 HB1 ALA 78 -1.645 -13.674 3.530 476 2HB ALA 78 HB3 ALA 78 -2.287 -15.269 3.137 477 3HB ALA 78 HB2 ALA 78 -2.484 -13.937 2.002 478 H PHE 79 HN PHE 79 -3.874 -16.263 4.418 479 HA PHE 79 HA PHE 79 -3.761 -15.616 7.287 480 1HB PHE 79 HB2 PHE 79 -6.070 -16.221 6.618 481 2HB PHE 79 HB1 PHE 79 -5.474 -17.768 6.026 482 HD1 PHE 79 HD1 PHE 79 -5.457 -15.691 9.123 483 HD2 PHE 79 HD2 PHE 79 -5.585 -19.589 7.420 484 HE1 PHE 79 HE1 PHE 79 -5.757 -16.657 11.366 485 HE2 PHE 79 HE2 PHE 79 -5.886 -20.562 9.659 486 HZ PHE 79 HZ PHE 79 -5.972 -19.095 11.636 487 H GLU 80 HN GLU 80 -1.796 -16.288 7.886 488 HA GLU 80 HA GLU 80 -1.082 -19.071 7.307 489 1HB GLU 80 HB2 GLU 80 1.041 -18.597 6.545 490 2HB GLU 80 HB1 GLU 80 0.128 -17.262 5.862 491 1HG GLU 80 HG2 GLU 80 1.923 -16.137 6.687 492 2HG GLU 80 HG1 GLU 80 0.849 -16.060 8.085 493 H ASN 81 HN ASN 81 0.437 -20.002 8.829 494 HA ASN 81 HA ASN 81 1.062 -20.505 10.959 495 1HB ASN 81 HB2 ASN 81 1.659 -17.628 10.640 496 2HB ASN 81 HB1 ASN 81 1.581 -18.202 12.303 497 1HD2 ASN 81 1HD2 ASN 81 3.859 -17.255 10.748 498 2HD2 ASN 81 2HD2 ASN 81 5.016 -18.538 10.766 499 H GLY 82 HN GLY 82 -1.799 -19.795 10.300 500 1HA GLY 82 HA1 GLY 82 -2.855 -20.130 12.908 501 2HA GLY 82 HA2 GLY 82 -3.784 -19.826 11.448 502 H ASN 83 HN ASN 83 -2.600 -17.313 10.769 503 HA ASN 83 HA ASN 83 -4.038 -15.658 12.672 504 1HB ASN 83 HB2 ASN 83 -2.039 -14.052 12.768 505 2HB ASN 83 HB1 ASN 83 -1.954 -15.509 13.754 506 1HD2 ASN 83 1HD2 ASN 83 -0.838 -13.978 10.814 507 2HD2 ASN 83 2HD2 ASN 83 0.572 -14.956 10.612 508 H TRP 84 HN TRP 84 -4.921 -13.871 11.767 509 HA TRP 84 HA TRP 84 -4.908 -13.674 8.909 510 1HB TRP 84 HB2 TRP 84 -6.232 -12.087 11.103 511 2HB TRP 84 HB1 TRP 84 -6.355 -11.609 9.413 512 HD1 TRP 84 HD1 TRP 84 -8.128 -13.592 11.913 513 HE1 TRP 84 HE1 TRP 84 -9.827 -15.179 10.809 514 HE3 TRP 84 HE3 TRP 84 -6.492 -13.300 7.077 515 HZ2 TRP 84 HZ2 TRP 84 -10.399 -16.175 8.231 516 HZ3 TRP 84 HZ3 TRP 84 -7.670 -14.601 5.353 517 HH2 TRP 84 HH2 TRP 84 -9.583 -16.009 5.920 518 H CYS 85 HN CYS 85 -2.956 -13.059 8.141 519 HA CYS 85 HA CYS 85 -1.832 -10.525 9.117 520 1HB CYS 85 HB2 CYS 85 0.070 -11.599 7.425 521 2HB CYS 85 HB1 CYS 85 0.078 -11.706 9.179 522 H GLY 86 HN GLY 86 -0.556 -9.351 7.291 523 1HA GLY 86 HA1 GLY 86 -1.441 -7.799 5.649 524 2HA GLY 86 HA2 GLY 86 -2.413 -9.114 5.009 525 H ILE 87 HN ILE 87 -1.672 -9.103 2.928 526 HA ILE 87 HA ILE 87 0.629 -10.541 2.304 527 HB ILE 87 HB ILE 87 -1.456 -9.150 0.826 528 1HG1 ILE 87 2HG1 ILE 87 -1.395 -11.081 -0.545 529 2HG1 ILE 87 1HG1 ILE 87 0.263 -11.447 -0.090 530 1HG2 ILE 87 1HG2 ILE 87 0.392 -7.814 -0.040 531 2HG2 ILE 87 3HG2 ILE 87 1.256 -9.290 -0.477 532 3HG2 ILE 87 2HG2 ILE 87 -0.262 -8.886 -1.277 533 1HD1 ILE 87 3HD1 ILE 87 -0.967 -11.587 2.311 534 2HD1 ILE 87 2HD1 ILE 87 -2.256 -12.110 1.232 535 3HD1 ILE 87 1HD1 ILE 87 -0.707 -12.955 1.230 536 H LYS 88 HN LYS 88 2.688 -10.053 1.895 537 HA LYS 88 HA LYS 88 3.829 -7.693 2.866 538 1HB LYS 88 HB2 LYS 88 4.999 -9.711 0.949 539 2HB LYS 88 HB1 LYS 88 5.916 -8.501 1.838 540 1HG LYS 88 HG2 LYS 88 4.287 -10.697 3.099 541 2HG LYS 88 HG1 LYS 88 6.034 -10.740 2.852 542 1HD LYS 88 HD2 LYS 88 5.810 -8.388 4.135 543 2HD LYS 88 HD1 LYS 88 4.427 -9.239 4.826 544 1HE LYS 88 HE2 LYS 88 6.434 -9.554 6.183 545 2HE LYS 88 HE1 LYS 88 5.879 -11.079 5.494 546 1HZ LYS 88 HZ1 LYS 88 7.940 -9.490 4.112 547 2HZ LYS 88 HZ3 LYS 88 8.368 -10.499 5.401 548 3HZ LYS 88 HZ2 LYS 88 7.638 -11.151 4.023 549 H ASN 89 HN ASN 89 4.909 -5.999 1.834 550 HA ASN 89 HA ASN 89 3.546 -4.839 -0.347 551 1HB ASN 89 HB2 ASN 89 4.753 -3.574 1.431 552 2HB ASN 89 HB1 ASN 89 6.277 -4.128 0.748 553 1HD2 ASN 89 1HD2 ASN 89 6.339 -1.639 0.843 554 2HD2 ASN 89 2HD2 ASN 89 5.916 -0.839 -0.630 555 H SER 90 HN SER 90 6.001 -7.171 -0.198 556 HA SER 90 HA SER 90 7.139 -6.595 -2.801 557 1HB SER 90 HB2 SER 90 8.728 -7.405 -1.255 558 2HB SER 90 HB1 SER 90 7.639 -8.663 -0.670 559 HG SER 90 HG SER 90 9.240 -9.519 -2.052 560 H CYS 91 HN CYS 91 4.707 -8.576 -1.375 561 HA CYS 91 HA CYS 91 4.509 -10.354 -3.660 562 1HB CYS 91 HB2 CYS 91 2.929 -10.187 -1.090 563 2HB CYS 91 HB1 CYS 91 2.682 -11.405 -2.334 564 H LYS 92 HN LYS 92 4.083 -8.047 -4.753 565 HA LYS 92 HA LYS 92 1.188 -7.973 -5.191 566 1HB LYS 92 HB2 LYS 92 1.515 -5.403 -5.454 567 2HB LYS 92 HB1 LYS 92 1.303 -6.095 -3.852 568 1HG LYS 92 HG2 LYS 92 3.247 -5.280 -3.188 569 2HG LYS 92 HG1 LYS 92 4.086 -6.066 -4.526 570 1HD LYS 92 HD2 LYS 92 4.541 -3.943 -5.139 571 2HD LYS 92 HD1 LYS 92 2.917 -4.010 -5.827 572 1HE LYS 92 HE2 LYS 92 2.514 -3.335 -3.164 573 2HE LYS 92 HE1 LYS 92 3.941 -2.412 -3.638 574 1HZ LYS 92 HZ2 LYS 92 2.464 -1.874 -5.707 575 2HZ LYS 92 HZ1 LYS 92 1.195 -2.238 -4.649 576 3HZ LYS 92 HZ3 LYS 92 2.284 -1.000 -4.270 577 H GLN 93 HN GLN 93 4.349 -6.858 -6.321 578 HA GLN 93 HA GLN 93 3.713 -7.679 -9.012 579 1HB GLN 93 HB2 GLN 93 4.249 -4.768 -8.395 580 2HB GLN 93 HB1 GLN 93 4.198 -5.462 -10.009 581 1HG GLN 93 HG2 GLN 93 1.824 -6.206 -9.403 582 2HG GLN 93 HG1 GLN 93 1.956 -5.064 -8.066 583 1HE2 GLN 93 1HE2 GLN 93 0.182 -3.956 -9.068 584 2HE2 GLN 93 2HE2 GLN 93 0.472 -2.874 -10.384 585 H GLN 94 HN GLN 94 5.490 -8.507 -9.904 586 HA GLN 94 HA GLN 94 7.974 -8.413 -8.551 587 1HB GLN 94 HB2 GLN 94 7.891 -9.287 -11.391 588 2HB GLN 94 HB1 GLN 94 8.726 -10.003 -10.025 589 1HG GLN 94 HG2 GLN 94 6.451 -10.708 -9.174 590 2HG GLN 94 HG1 GLN 94 5.826 -10.243 -10.756 591 1HE2 GLN 94 1HE2 GLN 94 6.654 -11.345 -12.618 592 2HE2 GLN 94 2HE2 GLN 94 7.240 -12.964 -12.475 593 HA PRO 95 HA PRO 95 9.474 -5.676 -12.239 594 1HB PRO 95 HB2 PRO 95 7.580 -4.593 -13.836 595 2HB PRO 95 HB1 PRO 95 8.267 -6.196 -14.139 596 1HG PRO 95 HG2 PRO 95 5.714 -5.483 -12.722 597 2HG PRO 95 HG1 PRO 95 5.966 -6.672 -14.015 598 1HD PRO 95 HD2 PRO 95 5.830 -7.410 -11.463 599 2HD PRO 95 HD1 PRO 95 6.969 -8.189 -12.580 600 H GLN 96 HN GLN 96 8.958 -4.847 -9.700 601 HA GLN 96 HA GLN 96 7.289 -2.584 -9.471 602 1HB GLN 96 HB2 GLN 96 8.776 -2.078 -7.459 603 2HB GLN 96 HB1 GLN 96 7.918 -3.613 -7.451 604 1HG GLN 96 HG2 GLN 96 9.810 -4.751 -7.303 605 2HG GLN 96 HG1 GLN 96 10.497 -3.905 -8.688 606 1HE2 GLN 96 1HE2 GLN 96 11.410 -1.752 -8.251 607 2HE2 GLN 96 2HE2 GLN 96 12.210 -1.492 -6.741 608 H ASN 97 HN ASN 97 7.631 -1.153 -11.144 609 HA ASN 97 HA ASN 97 8.481 0.710 -12.110 610 1HB ASN 97 HB2 ASN 97 9.680 2.138 -10.822 611 2HB ASN 97 HB1 ASN 97 9.338 0.962 -9.562 612 1HD2 ASN 97 1HD2 ASN 97 11.729 1.771 -12.042 613 2HD2 ASN 97 2HD2 ASN 97 13.104 1.248 -11.135 614 H ASN 98 HN ASN 98 11.198 -1.414 -11.143 615 HA ASN 98 HA ASN 98 12.874 -0.842 -13.283 616 1HB ASN 98 HB2 ASN 98 12.555 -3.248 -11.515 617 2HB ASN 98 HB1 ASN 98 13.705 -3.271 -12.848 618 1HD2 ASN 98 1HD2 ASN 98 14.676 -3.611 -10.391 619 2HD2 ASN 98 2HD2 ASN 98 15.525 -2.205 -9.855 620 H ASN 99 HN ASN 99 12.154 -0.835 -15.329 621 HA ASN 99 HA ASN 99 10.585 -3.125 -16.283 622 1HB ASN 99 HB2 ASN 99 11.074 -0.518 -17.729 623 2HB ASN 99 HB1 ASN 99 9.863 -1.742 -18.102 624 1HD2 ASN 99 1HD2 ASN 99 10.461 1.144 -16.546 625 2HD2 ASN 99 2HD2 ASN 99 9.031 1.226 -15.579 626 H GLN 100 HN GLN 100 11.903 -4.703 -16.960 627 HA GLN 100 HA GLN 100 14.504 -4.375 -17.943 628 1HB GLN 100 HB2 GLN 100 12.508 -6.586 -17.940 629 2HB GLN 100 HB1 GLN 100 13.890 -6.734 -19.017 630 1HG GLN 100 HG2 GLN 100 14.536 -7.826 -17.063 631 2HG GLN 100 HG1 GLN 100 15.328 -6.254 -16.976 632 1HE2 GLN 100 1HE2 GLN 100 12.082 -7.461 -16.193 633 2HE2 GLN 100 2HE2 GLN 100 12.052 -6.836 -14.583 No H/Q in entry = 633 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 6.180 5.194 -7.013 2 H2 ALA 1 HT3 ALA 1 7.006 3.958 -6.160 3 H3 ALA 1 HT2 ALA 1 5.295 3.917 -6.284 4 HA ALA 1 HA ALA 1 5.656 4.669 -4.185 5 1HB ALA 1 HB1 ALA 1 7.914 6.223 -5.406 6 2HB ALA 1 HB3 ALA 1 7.280 6.605 -3.805 7 3HB ALA 1 HB2 ALA 1 7.970 5.013 -4.124 8 H MET 2 HN MET 2 3.784 5.322 -6.156 9 HA MET 2 HA MET 2 2.715 7.719 -5.084 10 1HB MET 2 HB2 MET 2 4.569 8.296 -6.956 11 2HB MET 2 HB1 MET 2 3.148 8.133 -7.980 12 1HG MET 2 HG2 MET 2 2.234 9.679 -5.907 13 2HG MET 2 HG1 MET 2 3.888 10.246 -6.126 14 1HE MET 2 HE3 MET 2 1.243 11.563 -6.214 15 2HE MET 2 HE2 MET 2 1.633 12.825 -7.383 16 3HE MET 2 HE1 MET 2 0.364 11.654 -7.741 17 H ALA 3 HN ALA 3 0.912 6.424 -4.775 18 HA ALA 3 HA ALA 3 -0.885 6.292 -7.025 19 1HB ALA 3 HB3 ALA 3 -0.747 3.683 -5.670 20 2HB ALA 3 HB1 ALA 3 0.623 4.073 -6.712 21 3HB ALA 3 HB2 ALA 3 -1.014 4.072 -7.371 22 H CYS 4 HN CYS 4 -0.720 7.629 -4.466 23 HA CYS 4 HA CYS 4 -2.369 6.464 -2.523 24 1HB CYS 4 HB2 CYS 4 -2.668 8.838 -1.724 25 2HB CYS 4 HB1 CYS 4 -0.997 8.314 -1.898 26 H TRP 5 HN TRP 5 -4.538 6.925 -1.951 27 HA TRP 5 HA TRP 5 -6.270 7.205 -4.264 28 1HB TRP 5 HB2 TRP 5 -8.078 6.692 -2.543 29 2HB TRP 5 HB1 TRP 5 -6.887 5.425 -2.822 30 HD1 TRP 5 HD1 TRP 5 -5.428 4.680 -0.792 31 HE1 TRP 5 HE1 TRP 5 -5.387 5.293 1.707 32 HE3 TRP 5 HE3 TRP 5 -8.473 8.743 -0.939 33 HZ2 TRP 5 HZ2 TRP 5 -6.513 7.265 3.395 34 HZ3 TRP 5 HZ3 TRP 5 -8.955 9.952 1.151 35 HH2 TRP 5 HH2 TRP 5 -7.993 9.225 3.275 36 H ALA 6 HN ALA 6 -5.155 9.088 -1.605 37 HA ALA 6 HA ALA 6 -7.282 10.924 -1.379 38 1HB ALA 6 HB3 ALA 6 -4.487 11.817 -0.895 39 2HB ALA 6 HB2 ALA 6 -5.941 12.076 0.070 40 3HB ALA 6 HB1 ALA 6 -5.133 10.508 0.096 41 H GLN 7 HN GLN 7 -4.589 10.671 -3.595 42 HA GLN 7 HA GLN 7 -4.609 13.291 -4.605 43 1HB GLN 7 HB2 GLN 7 -3.472 12.339 -6.578 44 2HB GLN 7 HB1 GLN 7 -2.766 11.785 -5.067 45 1HG GLN 7 HG2 GLN 7 -2.961 9.715 -5.820 46 2HG GLN 7 HG1 GLN 7 -4.710 9.894 -5.684 47 1HE2 GLN 7 1HE2 GLN 7 -1.971 10.032 -7.835 48 2HE2 GLN 7 2HE2 GLN 7 -2.869 9.940 -9.307 49 H SER 8 HN SER 8 -6.617 10.515 -5.265 50 HA SER 8 HA SER 8 -7.752 11.255 -7.695 51 1HB SER 8 HB2 SER 8 -9.035 9.813 -5.361 52 2HB SER 8 HB1 SER 8 -9.705 9.885 -6.991 53 HG SER 8 HG SER 8 -7.497 8.479 -6.026 54 H GLN 9 HN GLN 9 -8.211 12.546 -4.515 55 HA GLN 9 HA GLN 9 -10.559 14.074 -5.339 56 1HB GLN 9 HB2 GLN 9 -9.203 13.632 -2.687 57 2HB GLN 9 HB1 GLN 9 -10.433 14.870 -2.903 58 1HG GLN 9 HG2 GLN 9 -11.827 12.879 -3.875 59 2HG GLN 9 HG1 GLN 9 -10.696 11.908 -2.934 60 1HE2 GLN 9 1HE2 GLN 9 -10.782 11.958 -0.718 61 2HE2 GLN 9 2HE2 GLN 9 -12.071 12.703 0.159 62 H GLY 10 HN GLY 10 -7.152 14.435 -4.704 63 1HA GLY 10 HA1 GLY 10 -7.387 17.360 -4.876 64 2HA GLY 10 HA2 GLY 10 -6.425 16.518 -6.080 65 H TYR 11 HN TYR 11 -6.472 15.315 -2.826 66 HA TYR 11 HA TYR 11 -4.320 16.821 -1.789 67 1HB TYR 11 HB2 TYR 11 -5.713 14.296 -1.038 68 2HB TYR 11 HB1 TYR 11 -4.138 14.602 -0.316 69 HD1 TYR 11 HD1 TYR 11 -7.644 15.500 -0.347 70 HD2 TYR 11 HD2 TYR 11 -3.804 16.631 1.098 71 HE1 TYR 11 HE1 TYR 11 -8.707 16.955 1.325 72 HE2 TYR 11 HE2 TYR 11 -4.858 18.088 2.774 73 HH TYR 11 HH TYR 11 -7.090 19.316 3.004 74 H ASN 12 HN ASN 12 -2.402 15.170 -0.867 75 HA ASN 12 HA ASN 12 -1.223 13.969 -3.286 76 1HB ASN 12 HB2 ASN 12 0.254 15.535 -1.158 77 2HB ASN 12 HB1 ASN 12 0.966 14.803 -2.592 78 1HD2 ASN 12 1HD2 ASN 12 1.176 17.515 -1.918 79 2HD2 ASN 12 2HD2 ASN 12 0.361 18.438 -3.130 80 H CYS 13 HN CYS 13 0.456 12.342 -2.840 81 HA CYS 13 HA CYS 13 -0.435 10.478 -0.885 82 1HB CYS 13 HB2 CYS 13 2.202 10.317 -2.327 83 2HB CYS 13 HB1 CYS 13 1.177 9.001 -1.768 84 H CYS 14 HN CYS 14 0.537 9.795 1.005 85 HA CYS 14 HA CYS 14 2.440 11.696 2.168 86 1HB CYS 14 HB2 CYS 14 0.113 10.487 3.170 87 2HB CYS 14 HB1 CYS 14 1.441 9.709 4.022 88 H ASN 15 HN ASN 15 4.432 11.038 1.540 89 HA ASN 15 HA ASN 15 5.484 8.629 0.982 90 1HB ASN 15 HB2 ASN 15 6.769 10.715 0.909 91 2HB ASN 15 HB1 ASN 15 6.822 10.756 2.668 92 1HD2 ASN 15 1HD2 ASN 15 8.899 10.498 3.109 93 2HD2 ASN 15 2HD2 ASN 15 9.878 9.176 2.578 94 H ASN 16 HN ASN 16 6.435 6.894 2.067 95 HA ASN 16 HA ASN 16 6.321 5.213 3.608 96 1HB ASN 16 HB2 ASN 16 7.449 5.692 5.683 97 2HB ASN 16 HB1 ASN 16 8.237 6.591 4.392 98 1HD2 ASN 16 1HD2 ASN 16 7.785 8.855 4.222 99 2HD2 ASN 16 2HD2 ASN 16 7.352 9.756 5.629 100 HA PRO 17 HA PRO 17 2.143 6.744 5.248 101 1HB PRO 17 HB2 PRO 17 0.710 4.777 3.971 102 2HB PRO 17 HB1 PRO 17 0.972 6.397 3.318 103 1HG PRO 17 HG2 PRO 17 2.415 3.850 2.706 104 2HG PRO 17 HG1 PRO 17 1.889 5.134 1.601 105 1HD PRO 17 HD2 PRO 17 4.444 4.923 2.405 106 2HD PRO 17 HD1 PRO 17 3.678 6.504 2.141 107 H SER 18 HN SER 18 4.008 3.857 5.145 108 HA SER 18 HA SER 18 2.365 2.277 6.863 109 1HB SER 18 HB2 SER 18 5.285 1.751 6.748 110 2HB SER 18 HB1 SER 18 3.929 0.636 6.581 111 HG SER 18 HG SER 18 3.593 1.754 4.482 112 H SER 19 HN SER 19 4.204 5.007 7.446 113 HA SER 19 HA SER 19 4.234 4.419 10.314 114 1HB SER 19 HB2 SER 19 6.537 4.073 9.264 115 2HB SER 19 HB1 SER 19 6.555 5.814 8.981 116 HG SER 19 HG SER 19 6.775 6.171 11.071 117 H THR 20 HN THR 20 2.858 6.208 8.123 118 HA THR 20 HA THR 20 3.375 8.871 8.995 119 HB THR 20 HB THR 20 1.343 7.555 7.211 120 HG1 THR 20 HG1 THR 20 2.411 8.763 5.650 121 1HG2 THR 20 2HG2 THR 20 1.451 10.477 7.875 122 2HG2 THR 20 1HG2 THR 20 0.499 9.739 6.587 123 3HG2 THR 20 3HG2 THR 20 0.148 9.358 8.271 124 H LYS 21 HN LYS 21 2.112 10.169 10.309 125 HA LYS 21 HA LYS 21 0.451 8.744 12.225 126 1HB LYS 21 HB2 LYS 21 2.107 10.299 13.101 127 2HB LYS 21 HB1 LYS 21 1.416 11.610 12.154 128 1HG LYS 21 HG2 LYS 21 0.588 11.967 14.294 129 2HG LYS 21 HG1 LYS 21 -0.742 11.161 13.461 130 1HD LYS 21 HD2 LYS 21 -0.600 9.317 14.750 131 2HD LYS 21 HD1 LYS 21 1.164 9.368 14.804 132 1HE LYS 21 HE2 LYS 21 0.841 11.403 16.347 133 2HE LYS 21 HE1 LYS 21 -0.819 10.831 16.513 134 1HZ LYS 21 HZ2 LYS 21 0.504 8.585 16.987 135 2HZ LYS 21 HZ1 LYS 21 1.649 9.695 17.551 136 3HZ LYS 21 HZ3 LYS 21 0.089 9.681 18.207 137 H VAL 22 HN VAL 22 -1.640 8.495 11.754 138 HA VAL 22 HA VAL 22 -2.995 10.384 10.039 139 HB VAL 22 HB VAL 22 -3.970 7.799 11.265 140 1HG1 VAL 22 3HG1 VAL 22 -5.700 9.559 10.629 141 2HG1 VAL 22 2HG1 VAL 22 -5.212 9.266 8.960 142 3HG1 VAL 22 1HG1 VAL 22 -5.890 7.954 9.925 143 1HG2 VAL 22 1HG2 VAL 22 -2.071 8.010 9.365 144 2HG2 VAL 22 3HG2 VAL 22 -3.209 6.667 9.474 145 3HG2 VAL 22 2HG2 VAL 22 -3.524 8.001 8.364 146 H GLU 23 HN GLU 23 -3.363 12.177 11.227 147 HA GLU 23 HA GLU 23 -4.582 11.954 13.863 148 1HB GLU 23 HB2 GLU 23 -4.559 14.589 13.494 149 2HB GLU 23 HB1 GLU 23 -3.122 13.715 14.002 150 1HG GLU 23 HG2 GLU 23 -2.153 13.839 11.880 151 2HG GLU 23 HG1 GLU 23 -3.685 14.246 11.107 152 H TYR 24 HN TYR 24 -5.614 11.720 10.800 153 HA TYR 24 HA TYR 24 -8.282 12.740 11.514 154 1HB TYR 24 HB2 TYR 24 -6.933 14.295 9.947 155 2HB TYR 24 HB1 TYR 24 -7.238 13.071 8.719 156 HD1 TYR 24 HD1 TYR 24 -8.481 15.991 10.267 157 HD2 TYR 24 HD2 TYR 24 -9.739 12.377 8.407 158 HE1 TYR 24 HE1 TYR 24 -10.685 16.991 9.829 159 HE2 TYR 24 HE2 TYR 24 -11.947 13.367 7.963 160 HH TYR 24 HH TYR 24 -12.864 15.770 7.680 161 H THR 25 HN THR 25 -9.982 11.504 10.863 162 HA THR 25 HA THR 25 -9.760 9.541 8.805 163 HB THR 25 HB THR 25 -10.156 8.423 11.574 164 HG1 THR 25 HG1 THR 25 -7.776 8.625 10.053 165 1HG2 THR 25 2HG2 THR 25 -10.446 7.341 8.978 166 2HG2 THR 25 1HG2 THR 25 -9.034 6.593 9.728 167 3HG2 THR 25 3HG2 THR 25 -10.600 6.528 10.537 168 H ASP 26 HN ASP 26 -11.655 9.696 7.866 169 HA ASP 26 HA ASP 26 -14.077 9.678 9.521 170 1HB ASP 26 HB2 ASP 26 -15.100 11.418 8.196 171 2HB ASP 26 HB1 ASP 26 -13.548 12.012 8.777 172 H ALA 27 HN ALA 27 -15.606 10.072 6.904 173 HA ALA 27 HA ALA 27 -15.685 7.264 6.221 174 1HB ALA 27 HB3 ALA 27 -17.646 9.055 6.460 175 2HB ALA 27 HB2 ALA 27 -17.343 9.211 4.730 176 3HB ALA 27 HB1 ALA 27 -17.771 7.642 5.412 177 H SER 28 HN SER 28 -13.623 9.539 5.298 178 HA SER 28 HA SER 28 -13.663 8.872 2.444 179 1HB SER 28 HB2 SER 28 -11.818 10.867 3.748 180 2HB SER 28 HB1 SER 28 -12.324 10.780 2.061 181 HG SER 28 HG SER 28 -14.388 11.432 2.693 182 H GLY 29 HN GLY 29 -11.913 8.397 5.397 183 1HA GLY 29 HA1 GLY 29 -9.723 7.078 3.940 184 2HA GLY 29 HA2 GLY 29 -10.627 6.189 5.158 185 H GLN 30 HN GLN 30 -7.750 7.093 4.930 186 HA GLN 30 HA GLN 30 -7.601 8.413 7.560 187 1HB GLN 30 HB2 GLN 30 -5.444 6.662 6.401 188 2HB GLN 30 HB1 GLN 30 -5.676 7.147 8.074 189 1HG GLN 30 HG2 GLN 30 -7.519 5.691 8.340 190 2HG GLN 30 HG1 GLN 30 -7.617 5.391 6.605 191 1HE2 GLN 30 1HE2 GLN 30 -5.727 4.318 5.625 192 2HE2 GLN 30 2HE2 GLN 30 -4.907 3.109 6.546 193 H TRP 31 HN TRP 31 -6.417 10.233 7.760 194 HA TRP 31 HA TRP 31 -4.681 11.009 5.518 195 1HB TRP 31 HB2 TRP 31 -6.385 13.015 6.980 196 2HB TRP 31 HB1 TRP 31 -5.534 13.209 5.452 197 HD1 TRP 31 HD1 TRP 31 -8.507 11.134 6.844 198 HE1 TRP 31 HE1 TRP 31 -10.239 10.879 4.958 199 HE3 TRP 31 HE3 TRP 31 -5.960 13.480 3.085 200 HZ2 TRP 31 HZ2 TRP 31 -10.491 11.583 2.232 201 HZ3 TRP 31 HZ3 TRP 31 -7.015 13.646 0.869 202 HH2 TRP 31 HH2 TRP 31 -9.233 12.717 0.451 203 H GLY 32 HN GLY 32 -3.024 12.557 6.062 204 1HA GLY 32 HA1 GLY 32 -1.492 11.947 8.237 205 2HA GLY 32 HA2 GLY 32 -2.526 13.256 8.794 206 H VAL 33 HN VAL 33 -0.287 14.218 9.037 207 HA VAL 33 HA VAL 33 0.476 15.530 6.510 208 HB VAL 33 HB VAL 33 -0.495 17.202 7.879 209 1HG1 VAL 33 1HG1 VAL 33 -0.476 15.947 9.978 210 2HG1 VAL 33 3HG1 VAL 33 1.255 16.248 10.140 211 3HG1 VAL 33 2HG1 VAL 33 0.116 17.594 10.197 212 1HG2 VAL 33 1HG2 VAL 33 1.590 17.885 6.804 213 2HG2 VAL 33 3HG2 VAL 33 1.368 18.719 8.341 214 3HG2 VAL 33 2HG2 VAL 33 2.501 17.372 8.224 215 H GLN 34 HN GLN 34 2.331 14.708 5.818 216 HA GLN 34 HA GLN 34 4.451 14.183 7.797 217 1HB GLN 34 HB2 GLN 34 3.445 12.223 6.396 218 2HB GLN 34 HB1 GLN 34 4.409 12.900 5.087 219 1HG GLN 34 HG2 GLN 34 6.222 11.914 5.850 220 2HG GLN 34 HG1 GLN 34 6.031 12.692 7.420 221 1HE2 GLN 34 1HE2 GLN 34 5.379 9.860 5.524 222 2HE2 GLN 34 2HE2 GLN 34 4.975 8.816 6.841 223 H ASN 35 HN ASN 35 6.351 15.192 7.541 224 HA ASN 35 HA ASN 35 7.929 16.601 6.720 225 1HB ASN 35 HB2 ASN 35 8.251 14.909 5.042 226 2HB ASN 35 HB1 ASN 35 6.856 15.470 4.132 227 1HD2 ASN 35 1HD2 ASN 35 7.929 15.835 2.274 228 2HD2 ASN 35 2HD2 ASN 35 9.099 17.092 2.070 229 H GLY 36 HN GLY 36 5.753 17.913 7.561 230 1HA GLY 36 HA1 GLY 36 5.930 20.415 6.423 231 2HA GLY 36 HA2 GLY 36 4.578 19.876 7.400 232 H GLN 37 HN GLN 37 3.390 17.989 5.784 233 HA GLN 37 HA GLN 37 2.055 19.684 3.909 234 1HB GLN 37 HB2 GLN 37 2.594 18.598 1.871 235 2HB GLN 37 HB1 GLN 37 4.123 18.954 2.660 236 1HG GLN 37 HG2 GLN 37 4.705 16.828 2.554 237 2HG GLN 37 HG1 GLN 37 3.270 16.362 3.466 238 1HE2 GLN 37 1HE2 GLN 37 3.375 14.432 2.144 239 2HE2 GLN 37 2HE2 GLN 37 2.663 14.446 0.570 240 H TRP 38 HN TRP 38 0.097 18.824 3.160 241 HA TRP 38 HA TRP 38 -0.986 16.751 4.847 242 1HB TRP 38 HB2 TRP 38 -2.098 18.694 2.870 243 2HB TRP 38 HB1 TRP 38 -3.051 17.271 3.274 244 HD1 TRP 38 HD1 TRP 38 -3.178 20.628 4.141 245 HE1 TRP 38 HE1 TRP 38 -3.893 21.060 6.576 246 HE3 TRP 38 HE3 TRP 38 -2.310 15.977 6.079 247 HZ2 TRP 38 HZ2 TRP 38 -4.066 19.619 8.997 248 HZ3 TRP 38 HZ3 TRP 38 -2.777 15.587 8.463 249 HH2 TRP 38 HH2 TRP 38 -3.636 17.372 9.891 250 H CYS 39 HN CYS 39 -1.894 14.796 4.163 251 HA CYS 39 HA CYS 39 -1.992 13.920 1.499 252 1HB CYS 39 HB2 CYS 39 -0.076 12.111 2.027 253 2HB CYS 39 HB1 CYS 39 0.236 13.618 1.179 254 H GLY 40 HN GLY 40 -2.476 11.595 1.312 255 1HA GLY 40 HA1 GLY 40 -4.210 10.151 2.058 256 2HA GLY 40 HA2 GLY 40 -3.925 10.705 3.702 257 H ILE 41 HN ILE 41 -3.911 8.458 4.312 258 HA ILE 41 HA ILE 41 -1.241 7.311 4.036 259 HB ILE 41 HB ILE 41 -3.477 6.921 5.992 260 1HG1 ILE 41 2HG1 ILE 41 -1.483 7.209 7.562 261 2HG1 ILE 41 1HG1 ILE 41 -0.553 7.634 6.129 262 1HG2 ILE 41 2HG2 ILE 41 -1.202 5.011 5.513 263 2HG2 ILE 41 1HG2 ILE 41 -2.105 5.085 7.027 264 3HG2 ILE 41 3HG2 ILE 41 -2.931 4.660 5.527 265 1HD1 ILE 41 1HD1 ILE 41 -3.090 9.079 6.530 266 2HD1 ILE 41 3HD1 ILE 41 -1.780 9.431 7.657 267 3HD1 ILE 41 2HD1 ILE 41 -1.535 9.649 5.923 268 H ASP 42 HN ASP 42 -0.919 5.918 2.461 269 HA ASP 42 HA ASP 42 -2.890 3.807 1.989 270 1HB ASP 42 HB2 ASP 42 -2.038 4.217 -0.558 271 2HB ASP 42 HB1 ASP 42 -3.526 4.888 0.099 272 H TYR 43 HN TYR 43 -1.577 2.286 2.926 273 HA TYR 43 HA TYR 43 1.179 2.018 2.567 274 1HB TYR 43 HB2 TYR 43 -0.612 -0.362 2.976 275 2HB TYR 43 HB1 TYR 43 1.001 -0.074 3.617 276 HD1 TYR 43 HD1 TYR 43 0.494 2.762 4.627 277 HD2 TYR 43 HD2 TYR 43 -1.738 -0.841 5.004 278 HE1 TYR 43 HE1 TYR 43 -0.492 3.598 6.720 279 HE2 TYR 43 HE2 TYR 43 -2.729 -0.014 7.096 280 HH TYR 43 HH TYR 43 -1.544 2.731 8.735 281 H SER 44 HN SER 44 -1.453 1.161 0.490 282 HA SER 44 HA SER 44 0.391 -0.301 -1.277 283 1HB SER 44 HB2 SER 44 -2.538 -0.528 -0.760 284 2HB SER 44 HB1 SER 44 -1.947 -0.905 -2.379 285 HG SER 44 HG SER 44 -0.818 -2.578 -1.598 286 H TYR 45 HN TYR 45 0.731 2.373 -1.377 287 HA TYR 45 HA TYR 45 -0.890 3.358 -3.591 288 1HB TYR 45 HB2 TYR 45 -0.401 5.481 -2.922 289 2HB TYR 45 HB1 TYR 45 -0.146 4.661 -1.390 290 HD1 TYR 45 HD1 TYR 45 2.513 3.393 -2.071 291 HD2 TYR 45 HD2 TYR 45 1.029 7.333 -2.629 292 HE1 TYR 45 HE1 TYR 45 4.805 4.256 -1.998 293 HE2 TYR 45 HE2 TYR 45 3.322 8.219 -2.554 294 HH TYR 45 HH TYR 45 5.513 7.590 -1.714 295 H GLY 46 HN GLY 46 1.112 1.225 -3.917 296 1HA GLY 46 HA1 GLY 46 2.332 2.254 -6.303 297 2HA GLY 46 HA2 GLY 46 2.448 0.610 -5.697 298 H GLN 47 HN GLN 47 4.187 0.003 -4.467 299 HA GLN 47 HA GLN 47 6.275 2.051 -4.121 300 1HB GLN 47 HB2 GLN 47 5.230 0.011 -2.274 301 2HB GLN 47 HB1 GLN 47 6.985 0.105 -2.346 302 1HG GLN 47 HG2 GLN 47 6.986 1.916 -1.082 303 2HG GLN 47 HG1 GLN 47 5.905 2.743 -2.202 304 1HE2 GLN 47 1HE2 GLN 47 3.576 1.585 -2.019 305 2HE2 GLN 47 2HE2 GLN 47 2.956 1.593 -0.406 306 H ASN 48 HN ASN 48 8.463 0.655 -3.630 307 HA ASN 48 HA ASN 48 9.127 -0.457 -6.163 308 1HB ASN 48 HB2 ASN 48 10.572 0.023 -3.596 309 2HB ASN 48 HB1 ASN 48 11.283 -1.095 -4.756 310 1HD2 ASN 48 1HD2 ASN 48 12.666 1.108 -4.130 311 2HD2 ASN 48 2HD2 ASN 48 12.656 2.236 -5.439 312 H GLN 49 HN GLN 49 10.288 -2.592 -6.341 313 HA GLN 49 HA GLN 49 8.582 -4.651 -5.205 314 1HB GLN 49 HB2 GLN 49 10.508 -4.520 -7.475 315 2HB GLN 49 HB1 GLN 49 10.147 -6.090 -6.764 316 1HG GLN 49 HG2 GLN 49 8.301 -6.203 -7.891 317 2HG GLN 49 HG1 GLN 49 7.725 -4.731 -7.117 318 1HE2 GLN 49 1HE2 GLN 49 8.242 -2.699 -8.129 319 2HE2 GLN 49 2HE2 GLN 49 8.473 -2.619 -9.839 320 H GLY 50 HN GLY 50 10.425 -3.411 -3.364 321 1HA GLY 50 HA1 GLY 50 12.502 -3.944 -2.297 322 2HA GLY 50 HA2 GLY 50 12.415 -5.532 -3.038 323 H ASN 51 HN ASN 51 9.508 -5.693 -2.224 324 HA ASN 51 HA ASN 51 8.281 -6.553 -0.511 325 1HB ASN 51 HB2 ASN 51 10.396 -8.113 -0.662 326 2HB ASN 51 HB1 ASN 51 10.775 -7.401 0.904 327 1HD2 ASN 51 1HD2 ASN 51 10.537 -9.764 1.421 328 2HD2 ASN 51 2HD2 ASN 51 8.967 -10.302 1.899 329 H GLU 52 HN GLU 52 9.581 -3.799 -0.256 330 HA GLU 52 HA GLU 52 9.965 -3.432 2.565 331 1HB GLU 52 HB2 GLU 52 10.139 -1.063 2.040 332 2HB GLU 52 HB1 GLU 52 11.096 -2.005 0.906 333 1HG GLU 52 HG2 GLU 52 9.669 -1.589 -0.855 334 2HG GLU 52 HG1 GLU 52 8.304 -1.229 0.201 335 H SER 53 HN SER 53 7.258 -3.911 0.698 336 HA SER 53 HA SER 53 5.496 -3.160 2.830 337 1HB SER 53 HB2 SER 53 5.979 -1.222 0.851 338 2HB SER 53 HB1 SER 53 4.408 -1.918 0.453 339 HG SER 53 HG SER 53 3.628 -1.296 2.398 340 H CYS 54 HN CYS 54 3.886 -4.595 2.896 341 HA CYS 54 HA CYS 54 3.344 -6.161 0.466 342 1HB CYS 54 HB2 CYS 54 3.771 -7.975 1.689 343 2HB CYS 54 HB1 CYS 54 4.013 -6.996 3.126 344 H THR 55 HN THR 55 1.148 -7.104 0.379 345 HA THR 55 HA THR 55 -0.813 -5.040 0.909 346 HB THR 55 HB THR 55 -1.010 -7.650 -0.609 347 HG1 THR 55 HG1 THR 55 0.051 -6.456 -1.984 348 1HG2 THR 55 2HG2 THR 55 -3.062 -5.775 0.204 349 2HG2 THR 55 1HG2 THR 55 -2.977 -5.963 -1.549 350 3HG2 THR 55 3HG2 THR 55 -3.210 -7.377 -0.520 351 H GLY 56 HN GLY 56 -2.384 -5.204 2.405 352 1HA GLY 56 HA1 GLY 56 -2.532 -7.738 3.915 353 2HA GLY 56 HA2 GLY 56 -3.899 -6.652 3.695 354 H ASN 57 HN ASN 57 -1.410 -4.615 4.043 355 HA ASN 57 HA ASN 57 -1.013 -4.784 6.890 356 1HB ASN 57 HB2 ASN 57 -0.191 -2.835 4.756 357 2HB ASN 57 HB1 ASN 57 0.021 -2.437 6.458 358 1HD2 ASN 57 1HD2 ASN 57 1.998 -2.881 4.348 359 2HD2 ASN 57 2HD2 ASN 57 3.026 -4.145 4.923 360 H GLY 58 HN GLY 58 -3.671 -4.022 5.231 361 1HA GLY 58 HA1 GLY 58 -4.824 -1.725 5.687 362 2HA GLY 58 HA2 GLY 58 -4.628 -2.251 7.354 363 H SER 59 HN SER 59 -5.014 -5.113 6.334 364 HA SER 59 HA SER 59 -7.858 -5.164 6.753 365 1HB SER 59 HB2 SER 59 -6.766 -6.111 4.095 366 2HB SER 59 HB1 SER 59 -8.429 -6.296 4.650 367 HG SER 59 HG SER 59 -8.782 -4.197 4.361 368 H TYR 60 HN TYR 60 -5.481 -7.331 5.183 369 HA TYR 60 HA TYR 60 -5.915 -9.242 7.379 370 1HB TYR 60 HB2 TYR 60 -5.375 -10.590 4.863 371 2HB TYR 60 HB1 TYR 60 -6.659 -10.871 6.030 372 HD1 TYR 60 HD1 TYR 60 -5.765 -8.274 3.491 373 HD2 TYR 60 HD2 TYR 60 -8.801 -10.704 5.207 374 HE1 TYR 60 HE1 TYR 60 -7.387 -7.363 1.885 375 HE2 TYR 60 HE2 TYR 60 -10.437 -9.797 3.611 376 HH TYR 60 HH TYR 60 -10.091 -8.660 1.066 377 HA PRO 61 HA PRO 61 -1.580 -9.853 7.756 378 1HB PRO 61 HB2 PRO 61 -1.294 -12.589 7.529 379 2HB PRO 61 HB1 PRO 61 -1.807 -11.750 8.996 380 1HG PRO 61 HG2 PRO 61 -3.477 -13.086 6.896 381 2HG PRO 61 HG1 PRO 61 -3.639 -13.148 8.664 382 1HD PRO 61 HD2 PRO 61 -5.229 -11.582 7.211 383 2HD PRO 61 HD1 PRO 61 -4.590 -11.019 8.770 384 H CYS 62 HN CYS 62 0.384 -10.520 6.694 385 HA CYS 62 HA CYS 62 0.312 -10.186 3.868 386 1HB CYS 62 HB2 CYS 62 2.470 -10.807 5.867 387 2HB CYS 62 HB1 CYS 62 2.809 -10.865 4.145 388 H CYS 63 HN CYS 63 1.277 -11.747 2.310 389 HA CYS 63 HA CYS 63 0.494 -14.488 3.022 390 1HB CYS 63 HB2 CYS 63 -0.251 -12.892 0.854 391 2HB CYS 63 HB1 CYS 63 0.892 -14.049 0.184 392 H ASN 64 HN ASN 64 2.631 -13.102 0.575 393 HA ASN 64 HA ASN 64 5.057 -13.269 0.781 394 1HB ASN 64 HB2 ASN 64 6.141 -15.246 1.495 395 2HB ASN 64 HB1 ASN 64 4.860 -14.981 2.664 396 1HD2 ASN 64 1HD2 ASN 64 4.251 -16.923 3.322 397 2HD2 ASN 64 2HD2 ASN 64 3.841 -18.255 2.302 398 H THR 65 HN THR 65 2.646 -15.369 -0.546 399 HA THR 65 HA THR 65 4.182 -16.393 -2.696 400 HB THR 65 HB THR 65 2.076 -17.378 -1.756 401 HG1 THR 65 HG1 THR 65 2.858 -18.025 -3.798 402 1HG2 THR 65 2HG2 THR 65 0.790 -15.220 -1.733 403 2HG2 THR 65 1HG2 THR 65 0.632 -15.389 -3.484 404 3HG2 THR 65 3HG2 THR 65 -0.057 -16.611 -2.413 405 H CYS 66 HN CYS 66 4.392 -15.712 -4.783 406 HA CYS 66 HA CYS 66 3.562 -12.953 -5.318 407 1HB CYS 66 HB2 CYS 66 5.508 -14.653 -6.893 408 2HB CYS 66 HB1 CYS 66 5.257 -12.914 -7.042 409 H GLN 67 HN GLN 67 1.688 -15.076 -5.383 410 HA GLN 67 HA GLN 67 0.939 -15.039 -8.225 411 1HB GLN 67 HB2 GLN 67 1.263 -17.287 -8.049 412 2HB GLN 67 HB1 GLN 67 1.111 -17.279 -6.302 413 1HG GLN 67 HG2 GLN 67 -1.422 -16.774 -7.640 414 2HG GLN 67 HG1 GLN 67 -0.694 -18.307 -8.106 415 1HE2 GLN 67 1HE2 GLN 67 -0.341 -16.709 -4.992 416 2HE2 GLN 67 2HE2 GLN 67 -1.163 -17.918 -4.072 417 H ALA 68 HN ALA 68 -0.346 -13.239 -8.014 418 HA ALA 68 HA ALA 68 -2.338 -13.064 -5.948 419 1HB ALA 68 HB1 ALA 68 -1.650 -10.960 -6.424 420 2HB ALA 68 HB2 ALA 68 -3.010 -11.053 -7.544 421 3HB ALA 68 HB3 ALA 68 -1.366 -11.314 -8.128 422 H THR 69 HN THR 69 -4.227 -13.989 -6.029 423 HA THR 69 HA THR 69 -5.263 -14.928 -8.596 424 HB THR 69 HB THR 69 -5.565 -16.750 -7.303 425 HG1 THR 69 HG1 THR 69 -7.607 -16.897 -6.644 426 1HG2 THR 69 3HG2 THR 69 -4.341 -15.815 -5.396 427 2HG2 THR 69 2HG2 THR 69 -5.835 -15.061 -4.832 428 3HG2 THR 69 1HG2 THR 69 -5.708 -16.820 -4.904 429 H TYR 70 HN TYR 70 -5.840 -12.506 -6.201 430 HA TYR 70 HA TYR 70 -8.018 -11.483 -7.817 431 1HB TYR 70 HB2 TYR 70 -9.720 -11.710 -6.332 432 2HB TYR 70 HB1 TYR 70 -8.755 -13.064 -5.763 433 HD1 TYR 70 HD1 TYR 70 -8.277 -13.209 -3.505 434 HD2 TYR 70 HD2 TYR 70 -9.198 -9.400 -5.161 435 HE1 TYR 70 HE1 TYR 70 -8.229 -12.224 -1.253 436 HE2 TYR 70 HE2 TYR 70 -9.153 -8.407 -2.917 437 HH TYR 70 HH TYR 70 -7.822 -9.897 -0.269 438 H THR 71 HN THR 71 -8.083 -9.304 -7.851 439 HA THR 71 HA THR 71 -6.369 -7.870 -5.931 440 HB THR 71 HB THR 71 -6.706 -7.366 -8.893 441 HG1 THR 71 HG1 THR 71 -5.162 -8.982 -8.086 442 1HG2 THR 71 3HG2 THR 71 -6.598 -5.253 -7.519 443 2HG2 THR 71 2HG2 THR 71 -4.978 -5.761 -7.038 444 3HG2 THR 71 1HG2 THR 71 -5.338 -5.459 -8.738 445 H ASP 72 HN ASP 72 -7.228 -6.161 -4.944 446 HA ASP 72 HA ASP 72 -9.859 -5.221 -5.869 447 1HB ASP 72 HB2 ASP 72 -9.413 -6.545 -3.523 448 2HB ASP 72 HB1 ASP 72 -9.248 -4.870 -3.007 449 H GLY 73 HN GLY 73 -10.162 -3.096 -4.137 450 1HA GLY 73 HA1 GLY 73 -9.711 -0.843 -4.113 451 2HA GLY 73 HA2 GLY 73 -8.575 -1.117 -5.423 452 H ASP 74 HN ASP 74 -7.614 -3.191 -3.044 453 HA ASP 74 HA ASP 74 -5.839 -1.161 -1.859 454 1HB ASP 74 HB2 ASP 74 -5.693 -3.200 -0.075 455 2HB ASP 74 HB1 ASP 74 -6.806 -1.846 0.069 456 H GLY 75 HN GLY 75 -5.702 -3.182 -4.248 457 1HA GLY 75 HA1 GLY 75 -3.007 -4.156 -3.540 458 2HA GLY 75 HA2 GLY 75 -3.489 -3.659 -5.155 459 H ASP 76 HN ASP 76 -2.325 -5.984 -5.137 460 HA ASP 76 HA ASP 76 -4.369 -7.796 -5.972 461 1HB ASP 76 HB2 ASP 76 -1.515 -8.625 -5.527 462 2HB ASP 76 HB1 ASP 76 -2.647 -9.160 -6.764 463 H TRP 77 HN TRP 77 -4.229 -10.166 -5.207 464 HA TRP 77 HA TRP 77 -3.569 -10.523 -2.421 465 1HB TRP 77 HB2 TRP 77 -6.459 -10.666 -3.294 466 2HB TRP 77 HB1 TRP 77 -5.840 -11.057 -1.692 467 HD1 TRP 77 HD1 TRP 77 -6.762 -8.101 -3.905 468 HE1 TRP 77 HE1 TRP 77 -6.710 -5.954 -2.493 469 HE3 TRP 77 HE3 TRP 77 -4.664 -9.985 0.357 470 HZ2 TRP 77 HZ2 TRP 77 -5.886 -5.164 0.080 471 HZ3 TRP 77 HZ3 TRP 77 -4.273 -8.462 2.248 472 HH2 TRP 77 HH2 TRP 77 -4.874 -6.099 2.111 473 H ALA 78 HN ALA 78 -3.572 -12.653 -1.735 474 HA ALA 78 HA ALA 78 -4.310 -14.703 -3.672 475 1HB ALA 78 HB3 ALA 78 -1.567 -14.515 -2.441 476 2HB ALA 78 HB2 ALA 78 -2.159 -15.843 -3.440 477 3HB ALA 78 HB1 ALA 78 -1.971 -14.234 -4.136 478 H PHE 79 HN PHE 79 -4.810 -16.702 -2.775 479 HA PHE 79 HA PHE 79 -5.163 -16.662 0.138 480 1HB PHE 79 HB2 PHE 79 -7.193 -16.962 -1.243 481 2HB PHE 79 HB1 PHE 79 -6.493 -18.423 -1.932 482 HD1 PHE 79 HD1 PHE 79 -6.679 -20.485 -0.835 483 HD2 PHE 79 HD2 PHE 79 -7.685 -16.897 1.221 484 HE1 PHE 79 HE1 PHE 79 -7.639 -21.811 1.002 485 HE2 PHE 79 HE2 PHE 79 -8.646 -18.217 3.062 486 HZ PHE 79 HZ PHE 79 -8.623 -20.677 2.954 487 H GLU 80 HN GLU 80 -3.673 -17.709 1.265 488 HA GLU 80 HA GLU 80 -2.853 -20.372 0.403 489 1HB GLU 80 HB2 GLU 80 -0.554 -19.984 0.460 490 2HB GLU 80 HB1 GLU 80 -1.181 -18.568 -0.370 491 1HG GLU 80 HG2 GLU 80 0.129 -17.453 1.060 492 2HG GLU 80 HG1 GLU 80 -1.210 -17.692 2.183 493 H ASN 81 HN ASN 81 -1.847 -21.624 2.126 494 HA ASN 81 HA ASN 81 -1.919 -22.490 4.230 495 1HB ASN 81 HB2 ASN 81 -0.380 -20.361 4.402 496 2HB ASN 81 HB1 ASN 81 -1.703 -19.737 5.383 497 1HD2 ASN 81 1HD2 ASN 81 0.966 -21.869 5.225 498 2HD2 ASN 81 2HD2 ASN 81 0.868 -22.474 6.841 499 H GLY 82 HN GLY 82 -4.440 -21.456 2.984 500 1HA GLY 82 HA1 GLY 82 -6.166 -21.971 5.174 501 2HA GLY 82 HA2 GLY 82 -6.659 -21.439 3.574 502 H ASN 83 HN ASN 83 -5.190 -18.988 3.540 503 HA ASN 83 HA ASN 83 -6.979 -17.410 5.198 504 1HB ASN 83 HB2 ASN 83 -3.998 -16.944 5.361 505 2HB ASN 83 HB1 ASN 83 -5.260 -16.125 6.276 506 1HD2 ASN 83 1HD2 ASN 83 -3.003 -18.556 6.322 507 2HD2 ASN 83 2HD2 ASN 83 -3.589 -19.447 7.681 508 H TRP 84 HN TRP 84 -7.253 -15.279 4.483 509 HA TRP 84 HA TRP 84 -6.476 -14.866 1.704 510 1HB TRP 84 HB2 TRP 84 -8.460 -13.494 3.517 511 2HB TRP 84 HB1 TRP 84 -8.070 -12.889 1.910 512 HD1 TRP 84 HD1 TRP 84 -10.293 -15.301 3.665 513 HE1 TRP 84 HE1 TRP 84 -11.615 -16.696 1.954 514 HE3 TRP 84 HE3 TRP 84 -7.716 -14.049 -0.570 515 HZ2 TRP 84 HZ2 TRP 84 -11.572 -17.200 -0.823 516 HZ3 TRP 84 HZ3 TRP 84 -8.420 -15.032 -2.713 517 HH2 TRP 84 HH2 TRP 84 -10.308 -16.575 -2.835 518 H CYS 85 HN CYS 85 -4.299 -14.331 1.938 519 HA CYS 85 HA CYS 85 -3.716 -11.838 3.377 520 1HB CYS 85 HB2 CYS 85 -1.263 -12.759 2.642 521 2HB CYS 85 HB1 CYS 85 -2.035 -13.116 4.179 522 H GLY 86 HN GLY 86 -2.089 -10.383 2.339 523 1HA GLY 86 HA1 GLY 86 -2.084 -8.815 0.571 524 2HA GLY 86 HA2 GLY 86 -2.844 -10.014 -0.463 525 H ILE 87 HN ILE 87 -1.219 -9.311 -2.028 526 HA ILE 87 HA ILE 87 1.079 -11.057 -1.922 527 HB ILE 87 HB ILE 87 -0.472 -9.780 -3.987 528 1HG1 ILE 87 2HG1 ILE 87 0.337 -11.584 -5.334 529 2HG1 ILE 87 1HG1 ILE 87 1.722 -11.833 -4.276 530 1HG2 ILE 87 1HG2 ILE 87 1.356 -8.183 -4.159 531 2HG2 ILE 87 3HG2 ILE 87 2.510 -9.508 -4.315 532 3HG2 ILE 87 2HG2 ILE 87 1.302 -9.239 -5.571 533 1HD1 ILE 87 1HD1 ILE 87 -1.145 -12.284 -3.491 534 2HD1 ILE 87 3HD1 ILE 87 -0.025 -13.538 -4.027 535 3HD1 ILE 87 2HD1 ILE 87 0.289 -12.659 -2.533 536 H LYS 88 HN LYS 88 3.233 -10.446 -2.107 537 HA LYS 88 HA LYS 88 3.923 -8.049 -0.686 538 1HB LYS 88 HB2 LYS 88 5.863 -9.881 -2.080 539 2HB LYS 88 HB1 LYS 88 6.136 -8.880 -0.660 540 1HG LYS 88 HG2 LYS 88 4.171 -11.142 -0.607 541 2HG LYS 88 HG1 LYS 88 5.893 -11.410 -0.344 542 1HD LYS 88 HD2 LYS 88 5.652 -10.802 1.778 543 2HD LYS 88 HD1 LYS 88 5.125 -9.205 1.254 544 1HE LYS 88 HE2 LYS 88 3.430 -11.621 1.826 545 2HE LYS 88 HE1 LYS 88 3.434 -10.072 2.666 546 1HZ LYS 88 HZ2 LYS 88 2.736 -9.116 0.427 547 2HZ LYS 88 HZ1 LYS 88 2.361 -10.706 -0.008 548 3HZ LYS 88 HZ3 LYS 88 1.577 -9.979 1.303 549 H ASN 89 HN ASN 89 4.928 -6.216 -1.447 550 HA ASN 89 HA ASN 89 4.412 -5.446 -4.090 551 1HB ASN 89 HB2 ASN 89 5.611 -3.422 -3.607 552 2HB ASN 89 HB1 ASN 89 4.721 -3.881 -2.161 553 1HD2 ASN 89 1HD2 ASN 89 6.420 -2.236 -1.447 554 2HD2 ASN 89 2HD2 ASN 89 7.894 -2.900 -0.839 555 H SER 90 HN SER 90 7.031 -7.209 -2.719 556 HA SER 90 HA SER 90 8.890 -6.695 -4.851 557 1HB SER 90 HB2 SER 90 10.122 -7.356 -3.044 558 2HB SER 90 HB1 SER 90 8.822 -8.358 -2.398 559 HG SER 90 HG SER 90 9.540 -10.027 -3.510 560 H CYS 91 HN CYS 91 6.126 -8.567 -4.489 561 HA CYS 91 HA CYS 91 6.919 -10.628 -6.368 562 1HB CYS 91 HB2 CYS 91 4.419 -10.155 -4.756 563 2HB CYS 91 HB1 CYS 91 4.540 -11.429 -5.962 564 H LYS 92 HN LYS 92 6.875 -7.988 -7.430 565 HA LYS 92 HA LYS 92 4.486 -7.962 -9.123 566 1HB LYS 92 HB2 LYS 92 6.712 -5.944 -8.931 567 2HB LYS 92 HB1 LYS 92 5.259 -5.768 -9.890 568 1HG LYS 92 HG2 LYS 92 3.904 -5.565 -7.956 569 2HG LYS 92 HG1 LYS 92 5.234 -6.045 -6.899 570 1HD LYS 92 HD2 LYS 92 6.392 -3.953 -8.077 571 2HD LYS 92 HD1 LYS 92 4.711 -3.448 -8.245 572 1HE LYS 92 HE2 LYS 92 4.916 -4.336 -5.627 573 2HE LYS 92 HE1 LYS 92 6.433 -3.483 -5.918 574 1HZ LYS 92 HZ2 LYS 92 4.695 -1.770 -6.971 575 2HZ LYS 92 HZ1 LYS 92 3.720 -2.449 -5.767 576 3HZ LYS 92 HZ3 LYS 92 5.186 -1.712 -5.353 577 H GLN 93 HN GLN 93 7.947 -7.337 -9.616 578 HA GLN 93 HA GLN 93 8.023 -9.282 -11.773 579 1HB GLN 93 HB2 GLN 93 8.230 -6.326 -12.235 580 2HB GLN 93 HB1 GLN 93 9.075 -7.453 -13.288 581 1HG GLN 93 HG2 GLN 93 6.973 -8.525 -13.860 582 2HG GLN 93 HG1 GLN 93 6.111 -7.442 -12.768 583 1HE2 GLN 93 1HE2 GLN 93 5.963 -5.228 -13.305 584 2HE2 GLN 93 2HE2 GLN 93 6.142 -4.693 -14.938 585 H GLN 94 HN GLN 94 10.192 -6.528 -11.505 586 HA GLN 94 HA GLN 94 12.376 -8.371 -10.919 587 1HB GLN 94 HB2 GLN 94 12.094 -5.830 -12.316 588 2HB GLN 94 HB1 GLN 94 13.464 -5.833 -11.214 589 1HG GLN 94 HG2 GLN 94 14.550 -7.517 -12.355 590 2HG GLN 94 HG1 GLN 94 13.064 -8.113 -13.096 591 1HE2 GLN 94 1HE2 GLN 94 12.002 -6.526 -14.607 592 2HE2 GLN 94 2HE2 GLN 94 13.042 -5.645 -15.668 593 HA PRO 95 HA PRO 95 13.038 -6.937 -6.797 594 1HB PRO 95 HB2 PRO 95 15.701 -6.775 -6.539 595 2HB PRO 95 HB1 PRO 95 14.891 -8.321 -6.818 596 1HG PRO 95 HG2 PRO 95 16.334 -6.561 -8.760 597 2HG PRO 95 HG1 PRO 95 16.379 -8.326 -8.602 598 1HD PRO 95 HD2 PRO 95 14.860 -6.985 -10.456 599 2HD PRO 95 HD1 PRO 95 14.474 -8.602 -9.838 600 H GLN 96 HN GLN 96 12.253 -4.761 -8.302 601 HA GLN 96 HA GLN 96 12.328 -2.498 -8.500 602 1HB GLN 96 HB2 GLN 96 12.180 -1.466 -6.476 603 2HB GLN 96 HB1 GLN 96 12.112 -3.131 -5.923 604 1HG GLN 96 HG2 GLN 96 14.783 -2.704 -5.881 605 2HG GLN 96 HG1 GLN 96 14.185 -1.085 -5.532 606 1HE2 GLN 96 1HE2 GLN 96 15.266 -3.770 -4.121 607 2HE2 GLN 96 2HE2 GLN 96 14.416 -3.707 -2.619 608 H ASN 97 HN ASN 97 14.743 -3.960 -9.410 609 HA ASN 97 HA ASN 97 17.047 -2.443 -8.762 610 1HB ASN 97 HB2 ASN 97 18.110 -3.584 -10.630 611 2HB ASN 97 HB1 ASN 97 17.146 -4.729 -9.702 612 1HD2 ASN 97 1HD2 ASN 97 17.280 -2.825 -12.638 613 2HD2 ASN 97 2HD2 ASN 97 16.157 -3.783 -13.536 614 H ASN 98 HN ASN 98 14.781 -2.322 -11.492 615 HA ASN 98 HA ASN 98 15.327 0.487 -11.854 616 1HB ASN 98 HB2 ASN 98 16.169 -1.555 -13.905 617 2HB ASN 98 HB1 ASN 98 15.821 0.115 -14.342 618 1HD2 ASN 98 1HD2 ASN 98 18.307 -1.642 -14.203 619 2HD2 ASN 98 2HD2 ASN 98 19.458 -0.653 -13.377 620 H ASN 99 HN ASN 99 13.938 1.434 -13.576 621 HA ASN 99 HA ASN 99 11.329 0.134 -13.519 622 1HB ASN 99 HB2 ASN 99 12.266 2.925 -14.127 623 2HB ASN 99 HB1 ASN 99 10.648 2.401 -14.582 624 1HD2 ASN 99 1HD2 ASN 99 10.309 4.302 -13.052 625 2HD2 ASN 99 2HD2 ASN 99 10.072 3.900 -11.388 626 H GLN 100 HN GLN 100 9.963 0.485 -15.566 627 HA GLN 100 HA GLN 100 11.541 0.162 -18.009 628 1HB GLN 100 HB2 GLN 100 10.242 -1.803 -18.684 629 2HB GLN 100 HB1 GLN 100 11.130 -2.107 -17.198 630 1HG GLN 100 HG2 GLN 100 9.249 -2.258 -15.935 631 2HG GLN 100 HG1 GLN 100 8.340 -1.143 -16.953 632 1HE2 GLN 100 1HE2 GLN 100 8.038 -2.047 -19.265 633 2HE2 GLN 100 2HE2 GLN 100 7.480 -3.680 -19.346 No H/Q in entry = 633 Start of MODEL 3 1 H1 ALA 1 HT2 ALA 1 5.097 4.909 -8.206 2 H2 ALA 1 HT1 ALA 1 6.063 3.700 -7.462 3 H3 ALA 1 HT3 ALA 1 4.357 3.642 -7.316 4 HA ALA 1 HA ALA 1 4.995 4.460 -5.323 5 1HB ALA 1 HB1 ALA 1 7.148 5.781 -6.901 6 2HB ALA 1 HB3 ALA 1 6.669 6.478 -5.353 7 3HB ALA 1 HB2 ALA 1 7.256 4.817 -5.428 8 H MET 2 HN MET 2 3.078 5.236 -7.430 9 HA MET 2 HA MET 2 2.127 7.650 -6.160 10 1HB MET 2 HB2 MET 2 1.794 8.758 -8.456 11 2HB MET 2 HB1 MET 2 3.396 8.816 -7.736 12 1HG MET 2 HG2 MET 2 3.307 6.467 -9.269 13 2HG MET 2 HG1 MET 2 2.568 7.730 -10.249 14 1HE MET 2 HE3 MET 2 5.238 8.285 -7.483 15 2HE MET 2 HE2 MET 2 5.802 6.758 -8.159 16 3HE MET 2 HE1 MET 2 6.755 8.225 -8.380 17 H ALA 3 HN ALA 3 0.381 6.345 -5.557 18 HA ALA 3 HA ALA 3 -1.715 6.205 -7.529 19 1HB ALA 3 HB3 ALA 3 -1.807 4.013 -7.917 20 2HB ALA 3 HB1 ALA 3 -1.508 3.609 -6.226 21 3HB ALA 3 HB2 ALA 3 -0.157 3.971 -7.300 22 H CYS 4 HN CYS 4 -1.248 7.555 -4.976 23 HA CYS 4 HA CYS 4 -2.777 6.305 -2.936 24 1HB CYS 4 HB2 CYS 4 -2.862 8.671 -1.981 25 2HB CYS 4 HB1 CYS 4 -1.266 7.963 -2.203 26 H TRP 5 HN TRP 5 -4.869 6.823 -2.189 27 HA TRP 5 HA TRP 5 -6.728 7.407 -4.325 28 1HB TRP 5 HB2 TRP 5 -8.444 6.975 -2.483 29 2HB TRP 5 HB1 TRP 5 -7.403 5.624 -2.921 30 HD1 TRP 5 HD1 TRP 5 -5.876 4.635 -1.061 31 HE1 TRP 5 HE1 TRP 5 -5.562 5.107 1.453 32 HE3 TRP 5 HE3 TRP 5 -8.508 8.964 -0.762 33 HZ2 TRP 5 HZ2 TRP 5 -6.353 7.088 3.318 34 HZ3 TRP 5 HZ3 TRP 5 -8.698 10.100 1.410 35 HH2 TRP 5 HH2 TRP 5 -7.640 9.182 3.408 36 H ALA 6 HN ALA 6 -5.265 9.083 -1.692 37 HA ALA 6 HA ALA 6 -7.213 11.068 -1.231 38 1HB ALA 6 HB2 ALA 6 -4.262 11.545 -0.957 39 2HB ALA 6 HB1 ALA 6 -5.587 12.196 0.014 40 3HB ALA 6 HB3 ALA 6 -5.137 10.495 0.157 41 H GLN 7 HN GLN 7 -4.847 10.640 -3.746 42 HA GLN 7 HA GLN 7 -4.774 13.333 -4.651 43 1HB GLN 7 HB2 GLN 7 -3.705 12.447 -6.648 44 2HB GLN 7 HB1 GLN 7 -3.021 11.701 -5.209 45 1HG GLN 7 HG2 GLN 7 -3.381 9.734 -6.151 46 2HG GLN 7 HG1 GLN 7 -5.110 10.025 -5.959 47 1HE2 GLN 7 1HE2 GLN 7 -2.419 10.057 -8.148 48 2HE2 GLN 7 2HE2 GLN 7 -3.339 10.214 -9.602 49 H SER 8 HN SER 8 -7.069 10.803 -4.988 50 HA SER 8 HA SER 8 -8.257 11.419 -7.432 51 1HB SER 8 HB2 SER 8 -9.870 10.582 -5.031 52 2HB SER 8 HB1 SER 8 -10.097 10.137 -6.722 53 HG SER 8 HG SER 8 -8.707 8.858 -4.850 54 H GLN 9 HN GLN 9 -8.347 13.085 -4.393 55 HA GLN 9 HA GLN 9 -10.418 14.898 -5.426 56 1HB GLN 9 HB2 GLN 9 -10.503 15.673 -2.985 57 2HB GLN 9 HB1 GLN 9 -11.171 14.091 -3.357 58 1HG GLN 9 HG2 GLN 9 -8.336 14.310 -2.479 59 2HG GLN 9 HG1 GLN 9 -9.629 14.432 -1.288 60 1HE2 GLN 9 1HE2 GLN 9 -10.845 12.644 -0.794 61 2HE2 GLN 9 2HE2 GLN 9 -10.430 11.050 -1.313 62 H GLY 10 HN GLY 10 -7.094 14.657 -4.490 63 1HA GLY 10 HA1 GLY 10 -6.806 17.576 -4.455 64 2HA GLY 10 HA2 GLY 10 -5.966 16.680 -5.710 65 H TYR 11 HN TYR 11 -6.344 15.301 -2.535 66 HA TYR 11 HA TYR 11 -3.921 16.290 -1.432 67 1HB TYR 11 HB2 TYR 11 -5.770 14.034 -0.727 68 2HB TYR 11 HB1 TYR 11 -4.234 14.224 0.111 69 HD1 TYR 11 HD1 TYR 11 -3.785 16.557 1.178 70 HD2 TYR 11 HD2 TYR 11 -7.641 15.178 0.020 71 HE1 TYR 11 HE1 TYR 11 -4.819 18.192 2.692 72 HE2 TYR 11 HE2 TYR 11 -8.685 16.809 1.528 73 HH TYR 11 HH TYR 11 -8.157 18.118 3.481 74 H ASN 12 HN ASN 12 -1.879 15.635 -1.684 75 HA ASN 12 HA ASN 12 -1.295 13.582 -3.616 76 1HB ASN 12 HB2 ASN 12 1.095 14.197 -3.098 77 2HB ASN 12 HB1 ASN 12 0.094 15.527 -3.671 78 1HD2 ASN 12 1HD2 ASN 12 2.430 14.827 -1.584 79 2HD2 ASN 12 2HD2 ASN 12 2.091 15.960 -0.324 80 H CYS 13 HN CYS 13 0.345 11.889 -3.163 81 HA CYS 13 HA CYS 13 -0.491 10.257 -1.015 82 1HB CYS 13 HB2 CYS 13 2.113 9.832 -2.445 83 2HB CYS 13 HB1 CYS 13 0.962 8.639 -1.856 84 H CYS 14 HN CYS 14 0.691 9.529 0.809 85 HA CYS 14 HA CYS 14 2.514 11.566 1.860 86 1HB CYS 14 HB2 CYS 14 0.327 10.249 2.980 87 2HB CYS 14 HB1 CYS 14 1.722 9.499 3.746 88 H ASN 15 HN ASN 15 4.604 11.169 1.623 89 HA ASN 15 HA ASN 15 5.844 8.853 0.857 90 1HB ASN 15 HB2 ASN 15 6.986 10.998 0.872 91 2HB ASN 15 HB1 ASN 15 6.907 11.067 2.628 92 1HD2 ASN 15 1HD2 ASN 15 8.417 10.049 3.818 93 2HD2 ASN 15 2HD2 ASN 15 9.760 9.188 3.153 94 H ASN 16 HN ASN 16 5.856 6.908 1.771 95 HA ASN 16 HA ASN 16 6.025 5.235 3.301 96 1HB ASN 16 HB2 ASN 16 7.118 7.477 5.005 97 2HB ASN 16 HB1 ASN 16 6.984 5.822 5.586 98 1HD2 ASN 16 1HD2 ASN 16 8.110 7.471 2.656 99 2HD2 ASN 16 2HD2 ASN 16 9.596 6.602 2.533 100 HA PRO 17 HA PRO 17 1.885 6.772 4.904 101 1HB PRO 17 HB2 PRO 17 0.509 4.645 3.841 102 2HB PRO 17 HB1 PRO 17 0.731 6.194 3.021 103 1HG PRO 17 HG2 PRO 17 2.234 3.632 2.677 104 2HG PRO 17 HG1 PRO 17 1.690 4.788 1.447 105 1HD PRO 17 HD2 PRO 17 4.243 4.703 2.286 106 2HD PRO 17 HD1 PRO 17 3.453 6.228 1.839 107 H SER 18 HN SER 18 3.779 3.890 5.053 108 HA SER 18 HA SER 18 2.174 2.625 7.096 109 1HB SER 18 HB2 SER 18 3.882 1.613 5.268 110 2HB SER 18 HB1 SER 18 4.967 1.734 6.653 111 HG SER 18 HG SER 18 3.789 0.288 7.729 112 H SER 19 HN SER 19 4.113 5.250 7.148 113 HA SER 19 HA SER 19 4.717 4.883 9.984 114 1HB SER 19 HB2 SER 19 6.753 4.416 8.474 115 2HB SER 19 HB1 SER 19 6.740 6.148 8.139 116 HG SER 19 HG SER 19 6.825 5.043 10.751 117 H THR 20 HN THR 20 2.697 6.366 8.420 118 HA THR 20 HA THR 20 3.448 9.137 8.974 119 HB THR 20 HB THR 20 1.429 7.817 7.188 120 HG1 THR 20 HG1 THR 20 3.109 10.023 6.657 121 1HG2 THR 20 3HG2 THR 20 1.343 10.695 8.036 122 2HG2 THR 20 2HG2 THR 20 0.478 10.010 6.662 123 3HG2 THR 20 1HG2 THR 20 0.106 9.467 8.299 124 H LYS 21 HN LYS 21 2.126 10.476 10.224 125 HA LYS 21 HA LYS 21 0.555 9.070 12.235 126 1HB LYS 21 HB2 LYS 21 2.254 10.772 12.897 127 2HB LYS 21 HB1 LYS 21 1.296 11.999 12.079 128 1HG LYS 21 HG2 LYS 21 -0.073 10.352 14.124 129 2HG LYS 21 HG1 LYS 21 1.108 11.537 14.686 130 1HD LYS 21 HD2 LYS 21 -0.153 13.171 13.117 131 2HD LYS 21 HD1 LYS 21 -1.450 11.976 13.191 132 1HE LYS 21 HE2 LYS 21 -2.097 13.119 15.013 133 2HE LYS 21 HE1 LYS 21 -0.811 12.221 15.818 134 1HZ LYS 21 HZ3 LYS 21 0.627 14.211 14.980 135 2HZ LYS 21 HZ2 LYS 21 -0.856 15.022 14.946 136 3HZ LYS 21 HZ1 LYS 21 -0.291 14.355 16.394 137 H VAL 22 HN VAL 22 -1.568 8.815 11.913 138 HA VAL 22 HA VAL 22 -2.965 10.518 10.057 139 HB VAL 22 HB VAL 22 -3.878 8.051 11.547 140 1HG1 VAL 22 3HG1 VAL 22 -5.709 9.629 10.939 141 2HG1 VAL 22 2HG1 VAL 22 -5.238 9.446 9.250 142 3HG1 VAL 22 1HG1 VAL 22 -5.825 8.053 10.157 143 1HG2 VAL 22 2HG2 VAL 22 -2.061 7.795 9.807 144 2HG2 VAL 22 1HG2 VAL 22 -3.519 6.835 9.559 145 3HG2 VAL 22 3HG2 VAL 22 -3.260 8.303 8.617 146 H GLU 23 HN GLU 23 -3.334 12.424 11.042 147 HA GLU 23 HA GLU 23 -4.506 12.472 13.710 148 1HB GLU 23 HB2 GLU 23 -4.494 15.071 13.025 149 2HB GLU 23 HB1 GLU 23 -3.101 14.263 13.723 150 1HG GLU 23 HG2 GLU 23 -2.284 15.522 11.923 151 2HG GLU 23 HG1 GLU 23 -2.310 13.857 11.353 152 H TYR 24 HN TYR 24 -5.579 11.945 10.698 153 HA TYR 24 HA TYR 24 -8.233 13.049 11.355 154 1HB TYR 24 HB2 TYR 24 -6.946 14.469 9.648 155 2HB TYR 24 HB1 TYR 24 -7.193 13.127 8.535 156 HD1 TYR 24 HD1 TYR 24 -8.578 16.114 9.864 157 HD2 TYR 24 HD2 TYR 24 -9.642 12.355 8.176 158 HE1 TYR 24 HE1 TYR 24 -10.801 17.001 9.299 159 HE2 TYR 24 HE2 TYR 24 -11.869 13.231 7.606 160 HH TYR 24 HH TYR 24 -12.625 16.553 7.751 161 H THR 25 HN THR 25 -10.010 11.927 10.508 162 HA THR 25 HA THR 25 -9.709 9.665 8.807 163 HB THR 25 HB THR 25 -10.547 8.965 11.611 164 HG1 THR 25 HG1 THR 25 -8.472 9.453 11.957 165 1HG2 THR 25 3HG2 THR 25 -10.581 7.564 9.189 166 2HG2 THR 25 2HG2 THR 25 -9.248 6.893 10.132 167 3HG2 THR 25 1HG2 THR 25 -10.875 6.934 10.811 168 H ASP 26 HN ASP 26 -11.619 9.071 7.921 169 HA ASP 26 HA ASP 26 -14.139 9.652 9.168 170 1HB ASP 26 HB2 ASP 26 -13.102 11.798 7.927 171 2HB ASP 26 HB1 ASP 26 -13.880 11.031 6.547 172 H ALA 27 HN ALA 27 -15.430 9.817 6.447 173 HA ALA 27 HA ALA 27 -15.507 6.957 5.991 174 1HB ALA 27 HB1 ALA 27 -17.499 7.297 4.865 175 2HB ALA 27 HB3 ALA 27 -17.512 8.604 6.049 176 3HB ALA 27 HB2 ALA 27 -17.063 8.935 4.376 177 H SER 28 HN SER 28 -13.416 9.191 4.981 178 HA SER 28 HA SER 28 -13.301 8.291 2.196 179 1HB SER 28 HB2 SER 28 -13.103 10.773 2.945 180 2HB SER 28 HB1 SER 28 -11.461 10.334 3.414 181 HG SER 28 HG SER 28 -12.576 9.961 0.829 182 H GLY 29 HN GLY 29 -11.674 8.075 5.260 183 1HA GLY 29 HA1 GLY 29 -9.413 6.658 4.040 184 2HA GLY 29 HA2 GLY 29 -10.416 5.805 5.204 185 H GLN 30 HN GLN 30 -7.578 7.351 4.906 186 HA GLN 30 HA GLN 30 -7.651 8.579 7.568 187 1HB GLN 30 HB2 GLN 30 -5.527 6.617 6.693 188 2HB GLN 30 HB1 GLN 30 -5.642 7.413 8.255 189 1HG GLN 30 HG2 GLN 30 -7.818 6.242 8.601 190 2HG GLN 30 HG1 GLN 30 -7.493 5.336 7.124 191 1HE2 GLN 30 1HE2 GLN 30 -6.169 6.093 10.306 192 2HE2 GLN 30 2HE2 GLN 30 -5.346 4.589 10.522 193 H TRP 31 HN TRP 31 -6.425 10.373 7.782 194 HA TRP 31 HA TRP 31 -4.540 11.018 5.615 195 1HB TRP 31 HB2 TRP 31 -6.128 13.177 6.957 196 2HB TRP 31 HB1 TRP 31 -5.327 13.199 5.392 197 HD1 TRP 31 HD1 TRP 31 -8.377 11.440 7.031 198 HE1 TRP 31 HE1 TRP 31 -10.199 11.192 5.232 199 HE3 TRP 31 HE3 TRP 31 -5.817 13.335 3.038 200 HZ2 TRP 31 HZ2 TRP 31 -10.503 11.737 2.468 201 HZ3 TRP 31 HZ3 TRP 31 -6.941 13.430 0.852 202 HH2 TRP 31 HH2 TRP 31 -9.235 12.649 0.576 203 H GLY 32 HN GLY 32 -2.961 12.715 6.239 204 1HA GLY 32 HA1 GLY 32 -1.530 12.020 8.504 205 2HA GLY 32 HA2 GLY 32 -2.527 13.399 8.950 206 H VAL 33 HN VAL 33 -0.596 14.623 9.271 207 HA VAL 33 HA VAL 33 0.470 15.661 6.742 208 HB VAL 33 HB VAL 33 -0.511 17.416 7.985 209 1HG1 VAL 33 2HG1 VAL 33 0.993 16.357 10.368 210 2HG1 VAL 33 1HG1 VAL 33 0.140 17.900 10.341 211 3HG1 VAL 33 3HG1 VAL 33 -0.753 16.394 10.127 212 1HG2 VAL 33 3HG2 VAL 33 1.673 17.967 7.012 213 2HG2 VAL 33 2HG2 VAL 33 1.354 18.903 8.473 214 3HG2 VAL 33 1HG2 VAL 33 2.456 17.526 8.531 215 H GLN 34 HN GLN 34 2.204 14.452 6.234 216 HA GLN 34 HA GLN 34 4.274 14.066 8.291 217 1HB GLN 34 HB2 GLN 34 3.385 11.999 7.221 218 2HB GLN 34 HB1 GLN 34 3.942 12.599 5.665 219 1HG GLN 34 HG2 GLN 34 6.054 11.996 6.051 220 2HG GLN 34 HG1 GLN 34 6.014 12.560 7.720 221 1HE2 GLN 34 1HE2 GLN 34 5.456 9.891 5.577 222 2HE2 GLN 34 2HE2 GLN 34 5.335 8.667 6.793 223 H ASN 35 HN ASN 35 6.204 15.038 8.057 224 HA ASN 35 HA ASN 35 7.848 16.370 7.219 225 1HB ASN 35 HB2 ASN 35 6.826 15.038 4.731 226 2HB ASN 35 HB1 ASN 35 8.029 16.320 4.607 227 1HD2 ASN 35 1HD2 ASN 35 7.927 13.268 4.264 228 2HD2 ASN 35 2HD2 ASN 35 9.352 12.732 5.082 229 H GLY 36 HN GLY 36 5.176 17.414 7.721 230 1HA GLY 36 HA1 GLY 36 5.510 20.029 6.737 231 2HA GLY 36 HA2 GLY 36 4.060 19.408 7.513 232 H GLN 37 HN GLN 37 3.281 17.450 5.737 233 HA GLN 37 HA GLN 37 2.248 19.079 3.573 234 1HB GLN 37 HB2 GLN 37 3.919 16.613 3.055 235 2HB GLN 37 HB1 GLN 37 2.917 17.402 1.844 236 1HG GLN 37 HG2 GLN 37 5.228 18.678 3.291 237 2HG GLN 37 HG1 GLN 37 5.283 18.012 1.660 238 1HE2 GLN 37 1HE2 GLN 37 3.006 18.887 0.535 239 2HE2 GLN 37 2HE2 GLN 37 2.978 20.612 0.466 240 H TRP 38 HN TRP 38 0.174 18.566 3.191 241 HA TRP 38 HA TRP 38 -1.116 16.509 4.660 242 1HB TRP 38 HB2 TRP 38 -1.999 18.365 2.462 243 2HB TRP 38 HB1 TRP 38 -3.067 17.101 3.063 244 HD1 TRP 38 HD1 TRP 38 -2.082 20.593 3.707 245 HE1 TRP 38 HE1 TRP 38 -3.055 21.413 5.946 246 HE3 TRP 38 HE3 TRP 38 -3.555 16.099 5.646 247 HZ2 TRP 38 HZ2 TRP 38 -4.286 20.300 8.230 248 HZ3 TRP 38 HZ3 TRP 38 -4.625 16.063 7.863 249 HH2 TRP 38 HH2 TRP 38 -4.982 18.121 9.126 250 H CYS 39 HN CYS 39 -1.784 14.490 4.060 251 HA CYS 39 HA CYS 39 -1.945 13.567 1.407 252 1HB CYS 39 HB2 CYS 39 0.075 11.878 1.847 253 2HB CYS 39 HB1 CYS 39 0.294 13.415 1.027 254 H GLY 40 HN GLY 40 -3.009 11.655 1.305 255 1HA GLY 40 HA1 GLY 40 -4.343 9.951 2.093 256 2HA GLY 40 HA2 GLY 40 -4.127 10.609 3.708 257 H ILE 41 HN ILE 41 -4.045 8.343 4.370 258 HA ILE 41 HA ILE 41 -1.299 7.340 4.181 259 HB ILE 41 HB ILE 41 -3.460 7.039 6.225 260 1HG1 ILE 41 2HG1 ILE 41 -1.530 7.556 7.728 261 2HG1 ILE 41 1HG1 ILE 41 -0.521 7.715 6.293 262 1HG2 ILE 41 2HG2 ILE 41 -1.269 5.076 5.692 263 2HG2 ILE 41 1HG2 ILE 41 -1.861 5.345 7.332 264 3HG2 ILE 41 3HG2 ILE 41 -2.965 4.780 6.077 265 1HD1 ILE 41 2HD1 ILE 41 -3.005 9.298 6.350 266 2HD1 ILE 41 1HD1 ILE 41 -1.720 9.779 7.456 267 3HD1 ILE 41 3HD1 ILE 41 -1.408 9.704 5.721 268 H ASP 42 HN ASP 42 -1.225 6.159 2.343 269 HA ASP 42 HA ASP 42 -3.049 3.850 2.178 270 1HB ASP 42 HB2 ASP 42 -2.867 5.827 0.299 271 2HB ASP 42 HB1 ASP 42 -1.691 4.664 -0.310 272 H TYR 43 HN TYR 43 -1.720 2.427 3.277 273 HA TYR 43 HA TYR 43 1.004 2.142 3.111 274 1HB TYR 43 HB2 TYR 43 -0.975 -0.135 3.323 275 2HB TYR 43 HB1 TYR 43 0.710 -0.165 3.833 276 HD1 TYR 43 HD1 TYR 43 -1.325 -0.955 5.725 277 HD2 TYR 43 HD2 TYR 43 0.084 2.953 4.796 278 HE1 TYR 43 HE1 TYR 43 -1.990 -0.186 7.964 279 HE2 TYR 43 HE2 TYR 43 -0.578 3.733 7.034 280 HH TYR 43 HH TYR 43 -0.915 2.505 9.382 281 H SER 44 HN SER 44 -1.359 1.352 0.714 282 HA SER 44 HA SER 44 0.734 0.129 -0.957 283 1HB SER 44 HB2 SER 44 -2.256 -0.258 -0.948 284 2HB SER 44 HB1 SER 44 -1.246 -0.743 -2.310 285 HG SER 44 HG SER 44 -0.004 -1.919 -0.579 286 H TYR 45 HN TYR 45 0.829 2.832 -0.846 287 HA TYR 45 HA TYR 45 -0.760 3.849 -3.059 288 1HB TYR 45 HB2 TYR 45 -0.604 5.830 -2.015 289 2HB TYR 45 HB1 TYR 45 0.214 5.001 -0.696 290 HD1 TYR 45 HD1 TYR 45 2.496 5.391 -0.252 291 HD2 TYR 45 HD2 TYR 45 0.772 6.801 -3.864 292 HE1 TYR 45 HE1 TYR 45 4.560 6.608 -0.755 293 HE2 TYR 45 HE2 TYR 45 2.821 8.010 -4.393 294 HH TYR 45 HH TYR 45 5.565 7.524 -3.412 295 H GLY 46 HN GLY 46 -0.013 3.746 -5.051 296 1HA GLY 46 HA1 GLY 46 2.723 4.436 -5.610 297 2HA GLY 46 HA2 GLY 46 1.478 4.120 -6.800 298 H GLN 47 HN GLN 47 3.338 2.390 -4.327 299 HA GLN 47 HA GLN 47 4.746 0.723 -5.948 300 1HB GLN 47 HB2 GLN 47 3.583 -0.187 -3.319 301 2HB GLN 47 HB1 GLN 47 5.092 -0.702 -4.064 302 1HG GLN 47 HG2 GLN 47 5.228 2.099 -3.804 303 2HG GLN 47 HG1 GLN 47 4.612 1.468 -2.276 304 1HE2 GLN 47 1HE2 GLN 47 7.335 2.316 -3.824 305 2HE2 GLN 47 2HE2 GLN 47 8.480 1.309 -3.013 306 H ASN 48 HN ASN 48 4.264 -0.737 -7.393 307 HA ASN 48 HA ASN 48 1.632 -1.681 -7.845 308 1HB ASN 48 HB2 ASN 48 2.719 -3.124 -9.574 309 2HB ASN 48 HB1 ASN 48 3.132 -1.417 -9.709 310 1HD2 ASN 48 1HD2 ASN 48 5.211 -0.767 -9.401 311 2HD2 ASN 48 2HD2 ASN 48 6.531 -1.860 -9.188 312 H GLN 49 HN GLN 49 1.431 -4.189 -8.326 313 HA GLN 49 HA GLN 49 1.439 -5.454 -5.796 314 1HB GLN 49 HB2 GLN 49 -0.146 -6.658 -6.794 315 2HB GLN 49 HB1 GLN 49 0.227 -5.872 -8.319 316 1HG GLN 49 HG2 GLN 49 2.002 -7.638 -8.650 317 2HG GLN 49 HG1 GLN 49 1.305 -8.472 -7.264 318 1HE2 GLN 49 1HE2 GLN 49 -0.835 -9.263 -7.421 319 2HE2 GLN 49 2HE2 GLN 49 -1.544 -9.600 -8.959 320 H GLY 50 HN GLY 50 4.066 -4.882 -7.605 321 1HA GLY 50 HA1 GLY 50 6.208 -5.693 -7.453 322 2HA GLY 50 HA2 GLY 50 5.471 -7.161 -8.074 323 H ASN 51 HN ASN 51 4.487 -5.976 -4.970 324 HA ASN 51 HA ASN 51 4.420 -7.144 -2.989 325 1HB ASN 51 HB2 ASN 51 5.062 -9.183 -4.573 326 2HB ASN 51 HB1 ASN 51 6.607 -9.017 -3.744 327 1HD2 ASN 51 1HD2 ASN 51 6.807 -10.257 -2.038 328 2HD2 ASN 51 2HD2 ASN 51 5.533 -10.782 -0.996 329 H GLU 52 HN GLU 52 5.729 -4.848 -3.210 330 HA GLU 52 HA GLU 52 8.428 -5.152 -2.164 331 1HB GLU 52 HB2 GLU 52 6.827 -2.651 -2.745 332 2HB GLU 52 HB1 GLU 52 8.530 -2.702 -2.308 333 1HG GLU 52 HG2 GLU 52 7.886 -4.369 -4.606 334 2HG GLU 52 HG1 GLU 52 7.519 -2.663 -4.853 335 H SER 53 HN SER 53 5.210 -4.525 -1.063 336 HA SER 53 HA SER 53 6.124 -4.561 1.689 337 1HB SER 53 HB2 SER 53 4.963 -2.161 0.371 338 2HB SER 53 HB1 SER 53 4.405 -2.532 2.001 339 HG SER 53 HG SER 53 6.965 -1.824 1.108 340 H CYS 54 HN CYS 54 4.876 -5.979 2.703 341 HA CYS 54 HA CYS 54 2.170 -6.464 1.682 342 1HB CYS 54 HB2 CYS 54 2.333 -8.556 3.124 343 2HB CYS 54 HB1 CYS 54 3.391 -8.483 1.720 344 H THR 55 HN THR 55 0.708 -7.376 3.587 345 HA THR 55 HA THR 55 0.491 -5.189 5.482 346 HB THR 55 HB THR 55 -1.410 -7.486 4.962 347 HG1 THR 55 HG1 THR 55 -2.518 -6.047 3.674 348 1HG2 THR 55 3HG2 THR 55 -1.424 -5.446 6.957 349 2HG2 THR 55 2HG2 THR 55 -2.771 -5.199 5.844 350 3HG2 THR 55 1HG2 THR 55 -2.584 -6.742 6.675 351 H GLY 56 HN GLY 56 0.434 -5.486 7.715 352 1HA GLY 56 HA1 GLY 56 1.161 -8.160 8.690 353 2HA GLY 56 HA2 GLY 56 0.510 -6.856 9.674 354 H ASN 57 HN ASN 57 2.611 -5.265 7.841 355 HA ASN 57 HA ASN 57 5.095 -6.071 9.056 356 1HB ASN 57 HB2 ASN 57 4.467 -3.541 7.527 357 2HB ASN 57 HB1 ASN 57 6.068 -4.184 7.875 358 1HD2 ASN 57 1HD2 ASN 57 5.100 -3.580 5.312 359 2HD2 ASN 57 2HD2 ASN 57 5.010 -5.049 4.410 360 H GLY 58 HN GLY 58 2.541 -4.719 10.457 361 1HA GLY 58 HA1 GLY 58 2.807 -2.447 11.697 362 2HA GLY 58 HA2 GLY 58 4.213 -3.260 12.370 363 H SER 59 HN SER 59 2.554 -5.849 12.162 364 HA SER 59 HA SER 59 1.532 -5.707 14.845 365 1HB SER 59 HB2 SER 59 -0.430 -6.305 12.621 366 2HB SER 59 HB1 SER 59 -0.772 -6.272 14.350 367 HG SER 59 HG SER 59 -0.257 -4.142 12.592 368 H TYR 60 HN TYR 60 0.886 -7.740 11.973 369 HA TYR 60 HA TYR 60 2.161 -9.986 13.378 370 1HB TYR 60 HB2 TYR 60 -0.012 -10.984 11.793 371 2HB TYR 60 HB1 TYR 60 0.264 -11.160 13.521 372 HD1 TYR 60 HD1 TYR 60 -0.832 -8.418 11.210 373 HD2 TYR 60 HD2 TYR 60 -1.515 -10.540 14.835 374 HE1 TYR 60 HE1 TYR 60 -2.800 -7.013 11.655 375 HE2 TYR 60 HE2 TYR 60 -3.483 -9.137 15.290 376 HH TYR 60 HH TYR 60 -4.851 -7.067 12.938 377 HA PRO 61 HA PRO 61 4.374 -11.083 9.742 378 1HB PRO 61 HB2 PRO 61 3.495 -13.712 9.336 379 2HB PRO 61 HB1 PRO 61 4.860 -13.215 10.340 380 1HG PRO 61 HG2 PRO 61 2.055 -13.856 11.135 381 2HG PRO 61 HG1 PRO 61 3.574 -14.213 11.980 382 1HD PRO 61 HD2 PRO 61 1.992 -12.229 12.800 383 2HD PRO 61 HD1 PRO 61 3.760 -12.041 12.811 384 H CYS 62 HN CYS 62 4.167 -11.553 7.475 385 HA CYS 62 HA CYS 62 1.599 -10.739 6.422 386 1HB CYS 62 HB2 CYS 62 4.239 -11.331 5.069 387 2HB CYS 62 HB1 CYS 62 2.798 -10.774 4.224 388 H CYS 63 HN CYS 63 0.392 -11.919 4.854 389 HA CYS 63 HA CYS 63 0.269 -14.711 5.427 390 1HB CYS 63 HB2 CYS 63 -1.256 -12.957 3.506 391 2HB CYS 63 HB1 CYS 63 -1.565 -14.680 3.675 392 H ASN 64 HN ASN 64 0.172 -13.302 2.209 393 HA ASN 64 HA ASN 64 1.957 -13.636 0.581 394 1HB ASN 64 HB2 ASN 64 3.041 -15.725 0.296 395 2HB ASN 64 HB1 ASN 64 3.070 -15.418 2.025 396 1HD2 ASN 64 1HD2 ASN 64 3.044 -17.382 2.898 397 2HD2 ASN 64 2HD2 ASN 64 1.872 -18.609 2.576 398 H THR 65 HN THR 65 -1.074 -14.633 1.373 399 HA THR 65 HA THR 65 -1.655 -15.685 -1.312 400 HB THR 65 HB THR 65 -2.252 -17.130 0.634 401 HG1 THR 65 HG1 THR 65 -4.502 -16.123 -0.767 402 1HG2 THR 65 2HG2 THR 65 -2.924 -15.077 2.074 403 2HG2 THR 65 1HG2 THR 65 -4.492 -15.260 1.283 404 3HG2 THR 65 3HG2 THR 65 -3.821 -16.588 2.231 405 H CYS 66 HN CYS 66 -3.219 -14.691 -2.585 406 HA CYS 66 HA CYS 66 -3.959 -12.005 -1.748 407 1HB CYS 66 HB2 CYS 66 -3.185 -12.120 -4.016 408 2HB CYS 66 HB1 CYS 66 -4.276 -13.455 -4.388 409 H GLN 67 HN GLN 67 -5.152 -13.387 -0.039 410 HA GLN 67 HA GLN 67 -7.969 -13.340 -0.778 411 1HB GLN 67 HB2 GLN 67 -7.655 -15.643 -1.052 412 2HB GLN 67 HB1 GLN 67 -6.464 -15.736 0.234 413 1HG GLN 67 HG2 GLN 67 -8.966 -14.908 1.338 414 2HG GLN 67 HG1 GLN 67 -9.212 -16.339 0.341 415 1HE2 GLN 67 1HE2 GLN 67 -6.314 -15.487 2.156 416 2HE2 GLN 67 2HE2 GLN 67 -6.379 -16.830 3.240 417 H ALA 68 HN ALA 68 -8.158 -11.502 0.468 418 HA ALA 68 HA ALA 68 -7.350 -11.606 3.256 419 1HB ALA 68 HB3 ALA 68 -7.390 -9.574 1.360 420 2HB ALA 68 HB2 ALA 68 -8.676 -9.171 2.499 421 3HB ALA 68 HB1 ALA 68 -7.031 -9.430 3.080 422 H THR 69 HN THR 69 -8.817 -12.999 4.090 423 HA THR 69 HA THR 69 -11.589 -12.955 3.720 424 HB THR 69 HB THR 69 -10.932 -14.897 4.738 425 HG1 THR 69 HG1 THR 69 -11.614 -14.862 6.916 426 1HG2 THR 69 1HG2 THR 69 -9.042 -13.237 6.357 427 2HG2 THR 69 3HG2 THR 69 -9.417 -14.910 6.782 428 3HG2 THR 69 2HG2 THR 69 -8.686 -14.537 5.217 429 H TYR 70 HN TYR 70 -9.567 -10.794 5.507 430 HA TYR 70 HA TYR 70 -11.910 -9.286 6.281 431 1HB TYR 70 HB2 TYR 70 -11.749 -9.427 8.557 432 2HB TYR 70 HB1 TYR 70 -11.154 -11.028 8.139 433 HD1 TYR 70 HD1 TYR 70 -9.934 -7.572 8.839 434 HD2 TYR 70 HD2 TYR 70 -9.120 -11.744 9.008 435 HE1 TYR 70 HE1 TYR 70 -7.875 -7.112 10.100 436 HE2 TYR 70 HE2 TYR 70 -7.056 -11.297 10.266 437 HH TYR 70 HH TYR 70 -5.752 -8.147 10.601 438 H THR 71 HN THR 71 -11.535 -7.122 6.528 439 HA THR 71 HA THR 71 -8.755 -6.222 6.160 440 HB THR 71 HB THR 71 -11.254 -5.058 4.916 441 HG1 THR 71 HG1 THR 71 -10.508 -6.830 3.779 442 1HG2 THR 71 1HG2 THR 71 -9.412 -3.412 5.638 443 2HG2 THR 71 3HG2 THR 71 -8.481 -4.124 4.319 444 3HG2 THR 71 2HG2 THR 71 -10.025 -3.338 3.985 445 H ASP 72 HN ASP 72 -8.073 -4.578 7.424 446 HA ASP 72 HA ASP 72 -10.052 -3.396 9.251 447 1HB ASP 72 HB2 ASP 72 -8.071 -5.094 10.028 448 2HB ASP 72 HB1 ASP 72 -7.260 -3.541 10.201 449 H GLY 73 HN GLY 73 -8.414 -1.559 10.499 450 1HA GLY 73 HA1 GLY 73 -7.840 0.650 10.221 451 2HA GLY 73 HA2 GLY 73 -8.366 0.520 8.550 452 H ASP 74 HN ASP 74 -6.202 -1.923 8.833 453 HA ASP 74 HA ASP 74 -3.965 -0.158 8.083 454 1HB ASP 74 HB2 ASP 74 -4.057 -2.559 9.838 455 2HB ASP 74 HB1 ASP 74 -2.632 -2.347 8.825 456 H GLY 75 HN GLY 75 -6.190 -1.938 6.675 457 1HA GLY 75 HA1 GLY 75 -4.302 -3.164 4.762 458 2HA GLY 75 HA2 GLY 75 -5.742 -2.295 4.255 459 H ASP 76 HN ASP 76 -5.145 -4.930 3.492 460 HA ASP 76 HA ASP 76 -7.527 -6.259 4.511 461 1HB ASP 76 HB2 ASP 76 -5.915 -7.675 2.492 462 2HB ASP 76 HB1 ASP 76 -7.638 -7.322 2.517 463 H TRP 77 HN TRP 77 -7.365 -8.691 4.888 464 HA TRP 77 HA TRP 77 -4.811 -9.637 5.857 465 1HB TRP 77 HB2 TRP 77 -7.082 -9.332 7.817 466 2HB TRP 77 HB1 TRP 77 -5.462 -9.933 8.158 467 HD1 TRP 77 HD1 TRP 77 -7.370 -6.674 7.493 468 HE1 TRP 77 HE1 TRP 77 -5.905 -4.701 8.245 469 HE3 TRP 77 HE3 TRP 77 -3.055 -9.213 8.527 470 HZ2 TRP 77 HZ2 TRP 77 -3.275 -4.277 9.153 471 HZ3 TRP 77 HZ3 TRP 77 -1.109 -7.946 9.332 472 HH2 TRP 77 HH2 TRP 77 -1.217 -5.526 9.640 473 H ALA 78 HN ALA 78 -4.745 -11.830 6.370 474 HA ALA 78 HA ALA 78 -7.160 -13.386 5.858 475 1HB ALA 78 HB2 ALA 78 -6.298 -14.658 4.166 476 2HB ALA 78 HB1 ALA 78 -5.556 -13.099 3.817 477 3HB ALA 78 HB3 ALA 78 -4.629 -14.350 4.639 478 H PHE 79 HN PHE 79 -6.794 -15.750 6.399 479 HA PHE 79 HA PHE 79 -5.066 -15.921 8.780 480 1HB PHE 79 HB2 PHE 79 -7.561 -16.050 9.147 481 2HB PHE 79 HB1 PHE 79 -7.547 -17.559 8.239 482 HD1 PHE 79 HD1 PHE 79 -5.646 -16.004 11.053 483 HD2 PHE 79 HD2 PHE 79 -7.540 -19.477 9.484 484 HE1 PHE 79 HE1 PHE 79 -5.096 -17.230 13.114 485 HE2 PHE 79 HE2 PHE 79 -6.994 -20.710 11.543 486 HZ PHE 79 HZ PHE 79 -5.770 -19.586 13.361 487 H GLU 80 HN GLU 80 -3.261 -16.964 8.225 488 HA GLU 80 HA GLU 80 -3.542 -19.585 6.942 489 1HB GLU 80 HB2 GLU 80 -1.848 -19.214 5.371 490 2HB GLU 80 HB1 GLU 80 -2.788 -17.731 5.327 491 1HG GLU 80 HG2 GLU 80 -0.874 -16.646 5.580 492 2HG GLU 80 HG1 GLU 80 -0.860 -17.233 7.243 493 H ASN 81 HN ASN 81 -1.895 -21.094 7.465 494 HA ASN 81 HA ASN 81 -0.530 -22.170 8.932 495 1HB ASN 81 HB2 ASN 81 0.676 -19.471 8.626 496 2HB ASN 81 HB1 ASN 81 1.275 -20.469 9.949 497 1HD2 ASN 81 1HD2 ASN 81 2.226 -19.545 7.150 498 2HD2 ASN 81 2HD2 ASN 81 2.908 -20.986 6.484 499 H GLY 82 HN GLY 82 -2.989 -20.738 9.918 500 1HA GLY 82 HA1 GLY 82 -2.702 -21.369 12.661 501 2HA GLY 82 HA2 GLY 82 -4.075 -20.552 11.930 502 H ASN 83 HN ASN 83 -2.668 -18.291 10.911 503 HA ASN 83 HA ASN 83 -2.371 -16.823 13.409 504 1HB ASN 83 HB2 ASN 83 -0.267 -15.722 12.538 505 2HB ASN 83 HB1 ASN 83 -0.087 -17.399 13.043 506 1HD2 ASN 83 1HD2 ASN 83 -0.661 -15.380 10.201 507 2HD2 ASN 83 2HD2 ASN 83 0.174 -16.404 9.087 508 H TRP 84 HN TRP 84 -2.813 -14.631 13.247 509 HA TRP 84 HA TRP 84 -4.388 -13.867 10.960 510 1HB TRP 84 HB2 TRP 84 -3.686 -12.510 13.558 511 2HB TRP 84 HB1 TRP 84 -4.574 -11.675 12.287 512 HD1 TRP 84 HD1 TRP 84 -5.316 -13.277 15.362 513 HE1 TRP 84 HE1 TRP 84 -7.677 -14.302 15.411 514 HE3 TRP 84 HE3 TRP 84 -6.301 -13.292 10.345 515 HZ2 TRP 84 HZ2 TRP 84 -9.689 -15.022 13.568 516 HZ3 TRP 84 HZ3 TRP 84 -8.467 -14.166 9.572 517 HH2 TRP 84 HH2 TRP 84 -10.124 -15.013 11.151 518 H CYS 85 HN CYS 85 -2.777 -13.895 9.337 519 HA CYS 85 HA CYS 85 -0.677 -11.878 9.483 520 1HB CYS 85 HB2 CYS 85 0.020 -12.886 7.284 521 2HB CYS 85 HB1 CYS 85 0.056 -13.995 8.651 522 H GLY 86 HN GLY 86 -0.308 -10.717 7.237 523 1HA GLY 86 HA1 GLY 86 -1.421 -8.671 6.511 524 2HA GLY 86 HA2 GLY 86 -2.923 -9.579 6.475 525 H ILE 87 HN ILE 87 -3.114 -8.728 4.297 526 HA ILE 87 HA ILE 87 -2.097 -10.610 2.367 527 HB ILE 87 HB ILE 87 -4.279 -8.701 2.508 528 1HG1 ILE 87 2HG1 ILE 87 -5.422 -10.280 1.230 529 2HG1 ILE 87 1HG1 ILE 87 -3.965 -10.822 0.409 530 1HG2 ILE 87 1HG2 ILE 87 -2.966 -7.385 0.934 531 2HG2 ILE 87 3HG2 ILE 87 -2.791 -8.795 -0.114 532 3HG2 ILE 87 2HG2 ILE 87 -4.382 -8.082 0.147 533 1HD1 ILE 87 2HD1 ILE 87 -4.417 -11.299 3.331 534 2HD1 ILE 87 1HD1 ILE 87 -5.025 -12.390 2.084 535 3HD1 ILE 87 3HD1 ILE 87 -3.293 -12.111 2.238 536 H LYS 88 HN LYS 88 -0.605 -10.286 0.810 537 HA LYS 88 HA LYS 88 1.236 -8.120 1.178 538 1HB LYS 88 HB2 LYS 88 1.307 -10.042 -1.127 539 2HB LYS 88 HB1 LYS 88 2.649 -9.236 -0.330 540 1HG LYS 88 HG2 LYS 88 1.152 -10.966 1.466 541 2HG LYS 88 HG1 LYS 88 1.829 -11.823 0.082 542 1HD LYS 88 HD2 LYS 88 3.944 -10.314 0.768 543 2HD LYS 88 HD1 LYS 88 3.181 -10.499 2.347 544 1HE LYS 88 HE2 LYS 88 4.780 -12.267 2.045 545 2HE LYS 88 HE1 LYS 88 3.155 -12.950 1.997 546 1HZ LYS 88 HZ3 LYS 88 3.592 -12.441 -0.591 547 2HZ LYS 88 HZ2 LYS 88 5.164 -12.807 -0.085 548 3HZ LYS 88 HZ1 LYS 88 3.919 -13.930 0.144 549 H ASN 89 HN ASN 89 2.058 -6.875 -0.719 550 HA ASN 89 HA ASN 89 0.030 -5.294 -1.835 551 1HB ASN 89 HB2 ASN 89 2.959 -5.518 -2.071 552 2HB ASN 89 HB1 ASN 89 2.159 -4.837 -3.486 553 1HD2 ASN 89 1HD2 ASN 89 3.905 -3.348 -2.006 554 2HD2 ASN 89 2HD2 ASN 89 3.049 -2.105 -1.168 555 H SER 90 HN SER 90 1.080 -8.379 -2.747 556 HA SER 90 HA SER 90 0.749 -8.224 -5.541 557 1HB SER 90 HB2 SER 90 1.249 -10.281 -3.548 558 2HB SER 90 HB1 SER 90 0.166 -10.852 -4.818 559 HG SER 90 HG SER 90 1.909 -11.074 -5.959 560 H CYS 91 HN CYS 91 -1.490 -8.596 -2.898 561 HA CYS 91 HA CYS 91 -3.639 -9.404 -4.678 562 1HB CYS 91 HB2 CYS 91 -3.309 -10.268 -2.278 563 2HB CYS 91 HB1 CYS 91 -3.994 -8.724 -1.778 564 H LYS 92 HN LYS 92 -2.891 -7.069 -5.598 565 HA LYS 92 HA LYS 92 -5.099 -5.320 -4.772 566 1HB LYS 92 HB2 LYS 92 -3.727 -3.325 -4.897 567 2HB LYS 92 HB1 LYS 92 -3.063 -4.444 -3.715 568 1HG LYS 92 HG2 LYS 92 -1.321 -5.085 -5.186 569 2HG LYS 92 HG1 LYS 92 -2.053 -4.222 -6.535 570 1HD LYS 92 HD2 LYS 92 -0.695 -2.536 -5.979 571 2HD LYS 92 HD1 LYS 92 -1.796 -2.264 -4.627 572 1HE LYS 92 HE2 LYS 92 -0.397 -3.892 -3.310 573 2HE LYS 92 HE1 LYS 92 0.768 -3.842 -4.636 574 1HZ LYS 92 HZ3 LYS 92 0.257 -1.213 -4.048 575 2HZ LYS 92 HZ2 LYS 92 0.346 -1.963 -2.535 576 3HZ LYS 92 HZ1 LYS 92 1.639 -2.089 -3.617 577 H GLN 93 HN GLN 93 -2.684 -6.019 -7.265 578 HA GLN 93 HA GLN 93 -4.673 -5.673 -9.312 579 1HB GLN 93 HB2 GLN 93 -2.441 -3.683 -8.984 580 2HB GLN 93 HB1 GLN 93 -3.189 -3.975 -10.548 581 1HG GLN 93 HG2 GLN 93 -5.402 -3.466 -9.403 582 2HG GLN 93 HG1 GLN 93 -4.434 -2.846 -8.066 583 1HE2 GLN 93 1HE2 GLN 93 -5.242 -0.764 -8.369 584 2HE2 GLN 93 2HE2 GLN 93 -4.732 0.234 -9.683 585 H GLN 94 HN GLN 94 -4.320 -7.279 -10.667 586 HA GLN 94 HA GLN 94 -1.990 -8.819 -10.718 587 1HB GLN 94 HB2 GLN 94 -3.069 -9.432 -13.133 588 2HB GLN 94 HB1 GLN 94 -3.570 -10.144 -11.610 589 1HG GLN 94 HG2 GLN 94 -4.940 -7.645 -12.319 590 2HG GLN 94 HG1 GLN 94 -5.232 -9.000 -13.404 591 1HE2 GLN 94 1HE2 GLN 94 -4.601 -9.130 -9.942 592 2HE2 GLN 94 2HE2 GLN 94 -6.138 -9.784 -9.503 593 HA PRO 95 HA PRO 95 -0.934 -6.422 -14.870 594 1HB PRO 95 HB2 PRO 95 -1.574 -3.750 -14.674 595 2HB PRO 95 HB1 PRO 95 -2.544 -4.948 -15.539 596 1HG PRO 95 HG2 PRO 95 -2.889 -3.883 -12.759 597 2HG PRO 95 HG1 PRO 95 -4.118 -4.161 -14.009 598 1HD PRO 95 HD2 PRO 95 -3.797 -5.880 -12.016 599 2HD PRO 95 HD1 PRO 95 -4.117 -6.463 -13.661 600 H GLN 96 HN GLN 96 -0.917 -5.098 -11.628 601 HA GLN 96 HA GLN 96 0.607 -3.736 -10.536 602 1HB GLN 96 HB2 GLN 96 2.780 -4.986 -10.275 603 2HB GLN 96 HB1 GLN 96 1.327 -5.905 -9.910 604 1HG GLN 96 HG2 GLN 96 1.701 -7.378 -11.545 605 2HG GLN 96 HG1 GLN 96 2.209 -6.136 -12.686 606 1HE2 GLN 96 1HE2 GLN 96 3.577 -6.819 -9.514 607 2HE2 GLN 96 2HE2 GLN 96 5.138 -7.286 -10.087 608 H ASN 97 HN ASN 97 0.829 -1.825 -11.649 609 HA ASN 97 HA ASN 97 2.078 -1.283 -14.010 610 1HB ASN 97 HB2 ASN 97 2.118 0.390 -11.492 611 2HB ASN 97 HB1 ASN 97 2.554 0.985 -13.092 612 1HD2 ASN 97 1HD2 ASN 97 0.531 2.106 -11.562 613 2HD2 ASN 97 2HD2 ASN 97 -0.982 1.826 -12.345 614 H ASN 98 HN ASN 98 3.976 -2.045 -14.677 615 HA ASN 98 HA ASN 98 6.241 -2.092 -12.818 616 1HB ASN 98 HB2 ASN 98 5.463 -3.657 -15.200 617 2HB ASN 98 HB1 ASN 98 7.183 -3.302 -15.059 618 1HD2 ASN 98 1HD2 ASN 98 4.841 -3.846 -12.481 619 2HD2 ASN 98 2HD2 ASN 98 5.599 -5.262 -11.847 620 H ASN 99 HN ASN 99 8.391 -1.501 -13.730 621 HA ASN 99 HA ASN 99 8.132 0.888 -15.430 622 1HB ASN 99 HB2 ASN 99 10.388 0.278 -13.517 623 2HB ASN 99 HB1 ASN 99 10.043 1.808 -14.316 624 1HD2 ASN 99 1HD2 ASN 99 9.221 -0.323 -11.727 625 2HD2 ASN 99 2HD2 ASN 99 8.168 0.759 -10.889 626 H GLN 100 HN GLN 100 8.383 -0.085 -17.428 627 HA GLN 100 HA GLN 100 11.093 -1.078 -17.979 628 1HB GLN 100 HB2 GLN 100 9.094 -2.829 -17.863 629 2HB GLN 100 HB1 GLN 100 8.818 -2.256 -19.502 630 1HG GLN 100 HG2 GLN 100 11.527 -2.722 -19.452 631 2HG GLN 100 HG1 GLN 100 10.872 -4.024 -18.459 632 1HE2 GLN 100 1HE2 GLN 100 10.516 -5.793 -19.570 633 2HE2 GLN 100 2HE2 GLN 100 9.984 -5.885 -21.212 No H/Q in entry = 633 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 5.404 5.231 -7.197 2 H2 ALA 1 HT3 ALA 1 7.014 5.800 -7.048 3 H3 ALA 1 HT2 ALA 1 6.601 4.235 -6.474 4 HA ALA 1 HA ALA 1 5.517 5.002 -4.680 5 1HB ALA 1 HB3 ALA 1 7.212 5.957 -3.574 6 2HB ALA 1 HB1 ALA 1 7.254 7.354 -4.650 7 3HB ALA 1 HB2 ALA 1 8.075 5.862 -5.110 8 H MET 2 HN MET 2 3.667 5.718 -6.395 9 HA MET 2 HA MET 2 2.533 8.059 -5.271 10 1HB MET 2 HB2 MET 2 4.279 8.842 -7.080 11 2HB MET 2 HB1 MET 2 2.988 8.422 -8.198 12 1HG MET 2 HG2 MET 2 1.701 10.165 -7.586 13 2HG MET 2 HG1 MET 2 2.218 10.098 -5.902 14 1HE MET 2 HE1 MET 2 3.952 10.933 -4.914 15 2HE MET 2 HE3 MET 2 5.426 11.594 -5.621 16 3HE MET 2 HE2 MET 2 4.086 12.666 -5.215 17 H ALA 3 HN ALA 3 0.852 6.628 -4.907 18 HA ALA 3 HA ALA 3 -1.045 6.407 -7.070 19 1HB ALA 3 HB1 ALA 3 -0.763 3.795 -5.803 20 2HB ALA 3 HB2 ALA 3 0.655 4.272 -6.736 21 3HB ALA 3 HB3 ALA 3 -0.931 4.215 -7.509 22 H CYS 4 HN CYS 4 -0.821 7.730 -4.520 23 HA CYS 4 HA CYS 4 -2.440 6.382 -2.598 24 1HB CYS 4 HB2 CYS 4 -2.389 8.536 -1.395 25 2HB CYS 4 HB1 CYS 4 -0.783 8.038 -1.910 26 H TRP 5 HN TRP 5 -4.594 6.322 -2.427 27 HA TRP 5 HA TRP 5 -6.282 7.249 -4.454 28 1HB TRP 5 HB2 TRP 5 -8.139 6.727 -2.864 29 2HB TRP 5 HB1 TRP 5 -6.979 5.417 -3.052 30 HD1 TRP 5 HD1 TRP 5 -5.634 4.675 -0.923 31 HE1 TRP 5 HE1 TRP 5 -5.794 5.266 1.582 32 HE3 TRP 5 HE3 TRP 5 -8.701 8.708 -1.278 33 HZ2 TRP 5 HZ2 TRP 5 -7.084 7.206 3.188 34 HZ3 TRP 5 HZ3 TRP 5 -9.369 9.887 0.777 35 HH2 TRP 5 HH2 TRP 5 -8.574 9.148 2.966 36 H ALA 6 HN ALA 6 -4.902 8.902 -1.795 37 HA ALA 6 HA ALA 6 -6.859 10.887 -1.359 38 1HB ALA 6 HB3 ALA 6 -3.877 10.985 -0.927 39 2HB ALA 6 HB2 ALA 6 -5.035 12.160 -0.305 40 3HB ALA 6 HB1 ALA 6 -5.094 10.486 0.249 41 H GLN 7 HN GLN 7 -4.130 10.670 -3.602 42 HA GLN 7 HA GLN 7 -4.377 13.347 -4.538 43 1HB GLN 7 HB2 GLN 7 -2.793 12.741 -6.246 44 2HB GLN 7 HB1 GLN 7 -2.287 12.031 -4.719 45 1HG GLN 7 HG2 GLN 7 -2.578 9.921 -5.447 46 2HG GLN 7 HG1 GLN 7 -3.966 10.337 -6.449 47 1HE2 GLN 7 1HE2 GLN 7 -3.551 9.834 -8.464 48 2HE2 GLN 7 2HE2 GLN 7 -2.071 10.116 -9.307 49 H SER 8 HN SER 8 -6.329 10.670 -4.986 50 HA SER 8 HA SER 8 -7.073 10.985 -7.699 51 1HB SER 8 HB2 SER 8 -7.546 8.927 -6.435 52 2HB SER 8 HB1 SER 8 -8.658 9.818 -5.396 53 HG SER 8 HG SER 8 -10.130 9.676 -6.888 54 H GLN 9 HN GLN 9 -8.064 12.536 -4.725 55 HA GLN 9 HA GLN 9 -10.210 13.953 -6.120 56 1HB GLN 9 HB2 GLN 9 -10.847 14.790 -3.884 57 2HB GLN 9 HB1 GLN 9 -10.825 13.034 -3.966 58 1HG GLN 9 HG2 GLN 9 -8.293 13.632 -3.106 59 2HG GLN 9 HG1 GLN 9 -9.277 14.855 -2.310 60 1HE2 GLN 9 1HE2 GLN 9 -8.388 11.557 -2.434 61 2HE2 GLN 9 2HE2 GLN 9 -9.351 11.012 -1.107 62 H GLY 10 HN GLY 10 -6.977 14.415 -4.986 63 1HA GLY 10 HA1 GLY 10 -7.249 17.333 -5.161 64 2HA GLY 10 HA2 GLY 10 -6.181 16.535 -6.303 65 H TYR 11 HN TYR 11 -6.389 15.190 -3.132 66 HA TYR 11 HA TYR 11 -4.426 16.748 -1.845 67 1HB TYR 11 HB2 TYR 11 -5.658 14.075 -1.378 68 2HB TYR 11 HB1 TYR 11 -4.172 14.453 -0.516 69 HD1 TYR 11 HD1 TYR 11 -7.725 14.970 -0.693 70 HD2 TYR 11 HD2 TYR 11 -4.118 16.491 0.977 71 HE1 TYR 11 HE1 TYR 11 -9.030 16.209 0.979 72 HE2 TYR 11 HE2 TYR 11 -5.411 17.734 2.656 73 HH TYR 11 HH TYR 11 -7.578 17.706 3.705 74 H ASN 12 HN ASN 12 -2.465 15.159 -0.896 75 HA ASN 12 HA ASN 12 -1.013 14.270 -3.301 76 1HB ASN 12 HB2 ASN 12 1.026 15.204 -2.399 77 2HB ASN 12 HB1 ASN 12 -0.205 16.461 -2.442 78 1HD2 ASN 12 1HD2 ASN 12 -0.103 17.721 -0.745 79 2HD2 ASN 12 2HD2 ASN 12 0.270 17.234 0.870 80 H CYS 13 HN CYS 13 0.846 12.798 -2.776 81 HA CYS 13 HA CYS 13 -0.085 10.733 -0.986 82 1HB CYS 13 HB2 CYS 13 2.321 10.827 -2.807 83 2HB CYS 13 HB1 CYS 13 1.754 9.410 -1.937 84 H CYS 14 HN CYS 14 0.949 9.937 0.777 85 HA CYS 14 HA CYS 14 2.926 11.712 2.007 86 1HB CYS 14 HB2 CYS 14 2.200 9.875 3.951 87 2HB CYS 14 HB1 CYS 14 1.579 11.509 3.787 88 H ASN 15 HN ASN 15 4.927 11.127 1.561 89 HA ASN 15 HA ASN 15 6.008 8.816 0.697 90 1HB ASN 15 HB2 ASN 15 8.090 9.483 1.972 91 2HB ASN 15 HB1 ASN 15 7.391 10.740 0.957 92 1HD2 ASN 15 1HD2 ASN 15 7.728 9.591 4.248 93 2HD2 ASN 15 2HD2 ASN 15 7.421 11.110 5.009 94 H ASN 16 HN ASN 16 6.339 6.782 1.447 95 HA ASN 16 HA ASN 16 5.981 4.957 2.783 96 1HB ASN 16 HB2 ASN 16 7.080 5.389 5.175 97 2HB ASN 16 HB1 ASN 16 8.055 5.149 3.730 98 1HD2 ASN 16 1HD2 ASN 16 8.912 7.025 2.677 99 2HD2 ASN 16 2HD2 ASN 16 9.226 8.458 3.588 100 HA PRO 17 HA PRO 17 2.265 6.910 4.858 101 1HB PRO 17 HB2 PRO 17 0.515 5.071 3.809 102 2HB PRO 17 HB1 PRO 17 0.896 6.622 3.054 103 1HG PRO 17 HG2 PRO 17 1.982 3.902 2.450 104 2HG PRO 17 HG1 PRO 17 1.512 5.197 1.333 105 1HD PRO 17 HD2 PRO 17 4.087 4.707 1.938 106 2HD PRO 17 HD1 PRO 17 3.490 6.353 1.643 107 H SER 18 HN SER 18 3.872 3.902 4.829 108 HA SER 18 HA SER 18 2.195 2.567 6.738 109 1HB SER 18 HB2 SER 18 3.993 1.655 4.958 110 2HB SER 18 HB1 SER 18 5.016 1.712 6.394 111 HG SER 18 HG SER 18 3.398 0.442 7.455 112 H SER 19 HN SER 19 4.160 5.175 7.081 113 HA SER 19 HA SER 19 4.621 4.556 9.909 114 1HB SER 19 HB2 SER 19 6.709 4.362 8.340 115 2HB SER 19 HB1 SER 19 6.675 6.126 8.390 116 HG SER 19 HG SER 19 6.708 4.458 10.687 117 H THR 20 HN THR 20 2.858 6.336 8.016 118 HA THR 20 HA THR 20 3.443 8.973 9.042 119 HB THR 20 HB THR 20 1.520 7.808 7.061 120 HG1 THR 20 HG1 THR 20 2.775 8.813 5.718 121 1HG2 THR 20 2HG2 THR 20 1.333 10.590 8.172 122 2HG2 THR 20 1HG2 THR 20 0.526 10.010 6.716 123 3HG2 THR 20 3HG2 THR 20 0.117 9.318 8.285 124 H LYS 21 HN LYS 21 2.165 10.125 10.465 125 HA LYS 21 HA LYS 21 0.471 8.515 12.202 126 1HB LYS 21 HB2 LYS 21 2.197 10.001 13.178 127 2HB LYS 21 HB1 LYS 21 1.365 11.389 12.490 128 1HG LYS 21 HG2 LYS 21 -0.156 9.553 14.268 129 2HG LYS 21 HG1 LYS 21 0.998 10.679 14.987 130 1HD LYS 21 HD2 LYS 21 -0.323 12.310 13.264 131 2HD LYS 21 HD1 LYS 21 -1.606 11.187 13.719 132 1HE LYS 21 HE2 LYS 21 -1.883 12.535 15.489 133 2HE LYS 21 HE1 LYS 21 -0.456 11.723 16.132 134 1HZ LYS 21 HZ3 LYS 21 -0.387 14.224 14.531 135 2HZ LYS 21 HZ2 LYS 21 -0.311 14.165 16.220 136 3HZ LYS 21 HZ1 LYS 21 0.925 13.477 15.294 137 H VAL 22 HN VAL 22 -1.651 8.408 11.820 138 HA VAL 22 HA VAL 22 -2.941 10.415 10.192 139 HB VAL 22 HB VAL 22 -4.010 7.828 11.335 140 1HG1 VAL 22 1HG1 VAL 22 -5.389 10.029 10.254 141 2HG1 VAL 22 3HG1 VAL 22 -5.420 8.761 9.030 142 3HG1 VAL 22 2HG1 VAL 22 -6.030 8.436 10.653 143 1HG2 VAL 22 3HG2 VAL 22 -2.127 7.738 9.608 144 2HG2 VAL 22 2HG2 VAL 22 -3.588 6.808 9.274 145 3HG2 VAL 22 1HG2 VAL 22 -3.320 8.352 8.463 146 H GLU 23 HN GLU 23 -3.237 12.184 11.449 147 HA GLU 23 HA GLU 23 -4.445 11.913 14.082 148 1HB GLU 23 HB2 GLU 23 -4.376 14.518 13.883 149 2HB GLU 23 HB1 GLU 23 -2.882 13.631 14.149 150 1HG GLU 23 HG2 GLU 23 -2.247 13.858 11.870 151 2HG GLU 23 HG1 GLU 23 -3.836 14.484 11.429 152 H TYR 24 HN TYR 24 -5.480 11.840 10.983 153 HA TYR 24 HA TYR 24 -8.148 12.807 11.767 154 1HB TYR 24 HB2 TYR 24 -6.840 14.492 10.340 155 2HB TYR 24 HB1 TYR 24 -7.061 13.352 9.017 156 HD1 TYR 24 HD1 TYR 24 -9.384 12.792 8.260 157 HD2 TYR 24 HD2 TYR 24 -8.594 15.919 11.035 158 HE1 TYR 24 HE1 TYR 24 -11.610 13.739 7.811 159 HE2 TYR 24 HE2 TYR 24 -10.817 16.877 10.595 160 HH TYR 24 HH TYR 24 -12.757 15.901 7.983 161 H THR 25 HN THR 25 -9.792 11.515 11.192 162 HA THR 25 HA THR 25 -9.546 9.695 8.964 163 HB THR 25 HB THR 25 -10.191 8.453 11.623 164 HG1 THR 25 HG1 THR 25 -8.169 8.411 12.126 165 1HG2 THR 25 1HG2 THR 25 -10.129 7.519 8.955 166 2HG2 THR 25 3HG2 THR 25 -8.809 6.747 9.835 167 3HG2 THR 25 2HG2 THR 25 -10.463 6.616 10.435 168 H ASP 26 HN ASP 26 -11.365 10.085 7.933 169 HA ASP 26 HA ASP 26 -13.869 10.176 9.482 170 1HB ASP 26 HB2 ASP 26 -12.869 12.328 8.229 171 2HB ASP 26 HB1 ASP 26 -13.731 11.605 6.875 172 H ALA 27 HN ALA 27 -15.306 10.424 6.826 173 HA ALA 27 HA ALA 27 -15.491 7.576 6.343 174 1HB ALA 27 HB3 ALA 27 -17.615 8.368 6.325 175 2HB ALA 27 HB1 ALA 27 -17.260 8.580 4.610 176 3HB ALA 27 HB2 ALA 27 -17.139 9.952 5.713 177 H SER 28 HN SER 28 -13.338 9.698 5.280 178 HA SER 28 HA SER 28 -13.390 8.809 2.484 179 1HB SER 28 HB2 SER 28 -11.284 10.706 3.196 180 2HB SER 28 HB1 SER 28 -12.501 10.805 1.925 181 HG SER 28 HG SER 28 -12.666 12.436 3.600 182 H GLY 29 HN GLY 29 -11.721 8.471 5.482 183 1HA GLY 29 HA1 GLY 29 -9.516 7.040 4.157 184 2HA GLY 29 HA2 GLY 29 -10.464 6.243 5.404 185 H GLN 30 HN GLN 30 -7.591 6.873 5.328 186 HA GLN 30 HA GLN 30 -7.469 8.332 7.872 187 1HB GLN 30 HB2 GLN 30 -5.962 6.083 6.683 188 2HB GLN 30 HB1 GLN 30 -5.007 7.230 7.612 189 1HG GLN 30 HG2 GLN 30 -6.566 6.908 9.510 190 2HG GLN 30 HG1 GLN 30 -7.383 5.657 8.574 191 1HE2 GLN 30 1HE2 GLN 30 -5.592 4.119 7.538 192 2HE2 GLN 30 2HE2 GLN 30 -4.502 3.459 8.704 193 H TRP 31 HN TRP 31 -6.361 10.202 8.068 194 HA TRP 31 HA TRP 31 -4.633 11.031 5.840 195 1HB TRP 31 HB2 TRP 31 -6.551 12.896 7.240 196 2HB TRP 31 HB1 TRP 31 -5.553 13.248 5.835 197 HD1 TRP 31 HD1 TRP 31 -8.609 11.090 6.810 198 HE1 TRP 31 HE1 TRP 31 -10.050 10.758 4.705 199 HE3 TRP 31 HE3 TRP 31 -5.565 13.354 3.386 200 HZ2 TRP 31 HZ2 TRP 31 -9.912 11.384 1.946 201 HZ3 TRP 31 HZ3 TRP 31 -6.291 13.443 1.038 202 HH2 TRP 31 HH2 TRP 31 -8.418 12.478 0.335 203 H GLY 32 HN GLY 32 -3.028 12.611 6.390 204 1HA GLY 32 HA1 GLY 32 -1.565 12.106 8.647 205 2HA GLY 32 HA2 GLY 32 -2.643 13.412 9.115 206 H VAL 33 HN VAL 33 -0.443 14.414 9.436 207 HA VAL 33 HA VAL 33 0.286 15.842 6.973 208 HB VAL 33 HB VAL 33 0.772 16.629 9.851 209 1HG1 VAL 33 1HG1 VAL 33 2.513 17.436 8.305 210 2HG1 VAL 33 3HG1 VAL 33 1.262 18.199 7.322 211 3HG1 VAL 33 2HG1 VAL 33 1.544 18.752 8.973 212 1HG2 VAL 33 1HG2 VAL 33 -1.271 17.484 7.821 213 2HG2 VAL 33 3HG2 VAL 33 -1.532 16.881 9.457 214 3HG2 VAL 33 2HG2 VAL 33 -0.847 18.487 9.208 215 H GLN 34 HN GLN 34 1.954 14.849 6.014 216 HA GLN 34 HA GLN 34 4.196 13.962 7.700 217 1HB GLN 34 HB2 GLN 34 2.954 12.369 6.038 218 2HB GLN 34 HB1 GLN 34 3.912 13.196 4.815 219 1HG GLN 34 HG2 GLN 34 5.945 12.503 5.827 220 2HG GLN 34 HG1 GLN 34 5.096 11.880 7.241 221 1HE2 GLN 34 1HE2 GLN 34 6.149 9.877 6.859 222 2HE2 GLN 34 2HE2 GLN 34 5.557 8.786 5.654 223 H ASN 35 HN ASN 35 6.190 14.806 7.424 224 HA ASN 35 HA ASN 35 7.699 16.441 6.916 225 1HB ASN 35 HB2 ASN 35 8.462 16.386 4.649 226 2HB ASN 35 HB1 ASN 35 7.903 14.764 5.053 227 1HD2 ASN 35 1HD2 ASN 35 7.230 17.665 3.246 228 2HD2 ASN 35 2HD2 ASN 35 6.057 16.969 2.187 229 H GLY 36 HN GLY 36 4.908 17.355 7.290 230 1HA GLY 36 HA1 GLY 36 5.301 20.047 6.351 231 2HA GLY 36 HA2 GLY 36 3.976 19.473 7.349 232 H GLN 37 HN GLN 37 3.000 17.441 5.641 233 HA GLN 37 HA GLN 37 1.598 19.109 3.724 234 1HB GLN 37 HB2 GLN 37 2.060 17.700 1.807 235 2HB GLN 37 HB1 GLN 37 3.572 18.302 2.475 236 1HG GLN 37 HG2 GLN 37 4.322 16.257 2.910 237 2HG GLN 37 HG1 GLN 37 2.785 15.742 3.600 238 1HE2 GLN 37 1HE2 GLN 37 2.463 13.844 2.635 239 2HE2 GLN 37 2HE2 GLN 37 2.372 13.601 0.927 240 H TRP 38 HN TRP 38 -0.435 18.356 3.196 241 HA TRP 38 HA TRP 38 -1.530 16.350 4.950 242 1HB TRP 38 HB2 TRP 38 -2.624 18.312 2.987 243 2HB TRP 38 HB1 TRP 38 -3.618 16.919 3.398 244 HD1 TRP 38 HD1 TRP 38 -3.598 20.280 4.286 245 HE1 TRP 38 HE1 TRP 38 -4.277 20.721 6.730 246 HE3 TRP 38 HE3 TRP 38 -2.919 15.580 6.177 247 HZ2 TRP 38 HZ2 TRP 38 -4.498 19.266 9.139 248 HZ3 TRP 38 HZ3 TRP 38 -3.387 15.188 8.561 249 HH2 TRP 38 HH2 TRP 38 -4.160 16.995 10.010 250 H CYS 39 HN CYS 39 -2.542 14.407 4.318 251 HA CYS 39 HA CYS 39 -2.681 13.495 1.640 252 1HB CYS 39 HB2 CYS 39 -0.337 13.341 1.593 253 2HB CYS 39 HB1 CYS 39 -0.266 12.679 3.225 254 H GLY 40 HN GLY 40 -3.476 11.368 1.442 255 1HA GLY 40 HA1 GLY 40 -5.121 9.857 2.209 256 2HA GLY 40 HA2 GLY 40 -4.771 10.361 3.863 257 H ILE 41 HN ILE 41 -4.007 8.587 4.926 258 HA ILE 41 HA ILE 41 -1.513 7.490 4.118 259 HB ILE 41 HB ILE 41 -3.378 6.908 6.386 260 1HG1 ILE 41 2HG1 ILE 41 -1.458 7.632 7.708 261 2HG1 ILE 41 1HG1 ILE 41 -0.474 7.733 6.253 262 1HG2 ILE 41 2HG2 ILE 41 -0.948 5.306 5.621 263 2HG2 ILE 41 1HG2 ILE 41 -1.711 5.256 7.211 264 3HG2 ILE 41 3HG2 ILE 41 -2.606 4.721 5.788 265 1HD1 ILE 41 1HD1 ILE 41 -2.972 9.324 6.388 266 2HD1 ILE 41 3HD1 ILE 41 -1.567 9.860 7.308 267 3HD1 ILE 41 2HD1 ILE 41 -1.453 9.664 5.557 268 H ASP 42 HN ASP 42 -1.369 6.257 2.404 269 HA ASP 42 HA ASP 42 -3.202 3.964 2.161 270 1HB ASP 42 HB2 ASP 42 -1.862 5.099 -0.260 271 2HB ASP 42 HB1 ASP 42 -3.386 4.228 -0.132 272 H TYR 43 HN TYR 43 -1.893 2.449 3.099 273 HA TYR 43 HA TYR 43 0.873 2.239 2.836 274 1HB TYR 43 HB2 TYR 43 -1.049 -0.063 3.219 275 2HB TYR 43 HB1 TYR 43 0.656 -0.033 3.650 276 HD1 TYR 43 HD1 TYR 43 0.254 3.002 4.679 277 HD2 TYR 43 HD2 TYR 43 -1.537 -0.761 5.541 278 HE1 TYR 43 HE1 TYR 43 -0.332 3.802 6.932 279 HE2 TYR 43 HE2 TYR 43 -2.128 0.030 7.792 280 HH TYR 43 HH TYR 43 -2.469 2.090 8.991 281 H SER 44 HN SER 44 -1.582 1.515 0.548 282 HA SER 44 HA SER 44 0.376 0.092 -1.129 283 1HB SER 44 HB2 SER 44 -2.475 -0.096 -1.873 284 2HB SER 44 HB1 SER 44 -1.230 -1.344 -1.842 285 HG SER 44 HG SER 44 -2.826 -0.382 0.277 286 H TYR 45 HN TYR 45 0.633 2.781 -1.172 287 HA TYR 45 HA TYR 45 -0.973 3.845 -3.337 288 1HB TYR 45 HB2 TYR 45 -0.383 5.911 -2.623 289 2HB TYR 45 HB1 TYR 45 0.025 5.048 -1.150 290 HD1 TYR 45 HD1 TYR 45 2.572 3.754 -2.143 291 HD2 TYR 45 HD2 TYR 45 1.116 7.734 -2.468 292 HE1 TYR 45 HE1 TYR 45 4.876 4.578 -2.303 293 HE2 TYR 45 HE2 TYR 45 3.423 8.573 -2.615 294 HH TYR 45 HH TYR 45 6.145 6.594 -1.953 295 H GLY 46 HN GLY 46 0.971 1.620 -3.792 296 1HA GLY 46 HA1 GLY 46 2.117 2.729 -6.207 297 2HA GLY 46 HA2 GLY 46 2.103 1.037 -5.739 298 H GLN 47 HN GLN 47 3.590 0.448 -3.922 299 HA GLN 47 HA GLN 47 6.072 2.026 -4.106 300 1HB GLN 47 HB2 GLN 47 4.629 0.980 -1.795 301 2HB GLN 47 HB1 GLN 47 6.314 0.480 -1.815 302 1HG GLN 47 HG2 GLN 47 6.307 3.206 -2.464 303 2HG GLN 47 HG1 GLN 47 5.172 3.014 -1.129 304 1HE2 GLN 47 1HE2 GLN 47 8.148 1.253 -1.875 305 2HE2 GLN 47 2HE2 GLN 47 8.961 1.652 -0.404 306 H ASN 48 HN ASN 48 8.072 0.714 -3.774 307 HA ASN 48 HA ASN 48 8.142 -1.444 -5.585 308 1HB ASN 48 HB2 ASN 48 10.094 -0.277 -3.632 309 2HB ASN 48 HB1 ASN 48 10.464 -1.812 -4.411 310 1HD2 ASN 48 1HD2 ASN 48 9.026 1.269 -5.440 311 2HD2 ASN 48 2HD2 ASN 48 10.050 1.481 -6.815 312 H GLN 49 HN GLN 49 8.682 -3.676 -5.154 313 HA GLN 49 HA GLN 49 7.256 -4.662 -2.830 314 1HB GLN 49 HB2 GLN 49 7.106 -6.718 -3.921 315 2HB GLN 49 HB1 GLN 49 7.044 -5.559 -5.235 316 1HG GLN 49 HG2 GLN 49 9.751 -6.377 -4.670 317 2HG GLN 49 HG1 GLN 49 8.704 -7.755 -5.005 318 1HE2 GLN 49 1HE2 GLN 49 6.964 -6.622 -6.825 319 2HE2 GLN 49 2HE2 GLN 49 7.827 -6.224 -8.267 320 H GLY 50 HN GLY 50 10.006 -3.386 -2.701 321 1HA GLY 50 HA1 GLY 50 11.792 -3.612 -1.283 322 2HA GLY 50 HA2 GLY 50 12.060 -5.102 -2.169 323 H ASN 51 HN ASN 51 9.123 -4.806 -0.384 324 HA ASN 51 HA ASN 51 8.293 -6.242 1.204 325 1HB ASN 51 HB2 ASN 51 10.474 -7.664 0.449 326 2HB ASN 51 HB1 ASN 51 10.897 -7.295 2.119 327 1HD2 ASN 51 1HD2 ASN 51 8.551 -7.390 3.415 328 2HD2 ASN 51 2HD2 ASN 51 7.857 -8.969 3.315 329 H GLU 52 HN GLU 52 9.259 -3.539 1.525 330 HA GLU 52 HA GLU 52 10.668 -3.100 3.888 331 1HB GLU 52 HB2 GLU 52 8.364 -1.373 2.996 332 2HB GLU 52 HB1 GLU 52 9.827 -0.884 3.840 333 1HG GLU 52 HG2 GLU 52 10.605 -2.076 1.393 334 2HG GLU 52 HG1 GLU 52 9.308 -0.933 1.049 335 H SER 53 HN SER 53 7.371 -4.049 3.331 336 HA SER 53 HA SER 53 7.032 -4.758 6.091 337 1HB SER 53 HB2 SER 53 6.338 -2.186 5.563 338 2HB SER 53 HB1 SER 53 4.818 -3.007 5.208 339 HG SER 53 HG SER 53 4.664 -2.701 7.329 340 H CYS 54 HN CYS 54 4.373 -5.170 6.232 341 HA CYS 54 HA CYS 54 3.531 -6.584 3.832 342 1HB CYS 54 HB2 CYS 54 4.269 -8.524 4.696 343 2HB CYS 54 HB1 CYS 54 4.458 -7.857 6.305 344 H THR 55 HN THR 55 1.252 -7.388 4.092 345 HA THR 55 HA THR 55 -0.309 -5.278 5.341 346 HB THR 55 HB THR 55 -0.975 -7.496 3.413 347 HG1 THR 55 HG1 THR 55 -1.368 -5.725 2.034 348 1HG2 THR 55 3HG2 THR 55 -2.793 -6.099 5.141 349 2HG2 THR 55 2HG2 THR 55 -3.090 -5.655 3.457 350 3HG2 THR 55 1HG2 THR 55 -3.127 -7.350 3.941 351 H GLY 56 HN GLY 56 -1.826 -5.625 6.939 352 1HA GLY 56 HA1 GLY 56 -2.079 -8.353 7.990 353 2HA GLY 56 HA2 GLY 56 -3.152 -7.011 8.351 354 H ASN 57 HN ASN 57 -0.285 -5.582 8.562 355 HA ASN 57 HA ASN 57 0.611 -6.613 11.097 356 1HB ASN 57 HB2 ASN 57 1.377 -4.076 9.638 357 2HB ASN 57 HB1 ASN 57 2.198 -4.728 11.052 358 1HD2 ASN 57 1HD2 ASN 57 2.105 -7.456 10.316 359 2HD2 ASN 57 2HD2 ASN 57 3.174 -7.677 8.980 360 H GLY 58 HN GLY 58 -2.093 -4.985 10.371 361 1HA GLY 58 HA1 GLY 58 -3.419 -3.437 11.459 362 2HA GLY 58 HA2 GLY 58 -1.998 -2.888 12.337 363 H SER 59 HN SER 59 -3.149 -6.211 12.225 364 HA SER 59 HA SER 59 -3.179 -6.327 15.092 365 1HB SER 59 HB2 SER 59 -5.780 -6.477 13.565 366 2HB SER 59 HB1 SER 59 -5.589 -7.072 15.214 367 HG SER 59 HG SER 59 -6.259 -4.702 14.626 368 H TYR 60 HN TYR 60 -4.113 -7.916 12.070 369 HA TYR 60 HA TYR 60 -3.826 -10.549 13.260 370 1HB TYR 60 HB2 TYR 60 -4.074 -10.641 10.391 371 2HB TYR 60 HB1 TYR 60 -5.193 -11.213 11.619 372 HD1 TYR 60 HD1 TYR 60 -4.880 -9.138 8.880 373 HD2 TYR 60 HD2 TYR 60 -6.544 -9.172 12.791 374 HE1 TYR 60 HE1 TYR 60 -6.469 -7.390 8.207 375 HE2 TYR 60 HE2 TYR 60 -8.139 -7.418 12.134 376 HH TYR 60 HH TYR 60 -7.815 -5.584 9.359 377 HA PRO 61 HA PRO 61 0.197 -11.393 11.556 378 1HB PRO 61 HB2 PRO 61 0.115 -13.922 10.776 379 2HB PRO 61 HB1 PRO 61 -0.273 -13.503 12.450 380 1HG PRO 61 HG2 PRO 61 -2.112 -14.180 10.191 381 2HG PRO 61 HG1 PRO 61 -2.219 -14.639 11.900 382 1HD PRO 61 HD2 PRO 61 -3.582 -12.521 10.676 383 2HD PRO 61 HD1 PRO 61 -3.369 -12.748 12.423 384 H CYS 62 HN CYS 62 1.477 -12.323 9.631 385 HA CYS 62 HA CYS 62 0.448 -11.107 7.211 386 1HB CYS 62 HB2 CYS 62 3.098 -12.309 7.987 387 2HB CYS 62 HB1 CYS 62 2.736 -11.909 6.312 388 H CYS 63 HN CYS 63 0.789 -12.348 5.104 389 HA CYS 63 HA CYS 63 -0.307 -15.049 5.461 390 1HB CYS 63 HB2 CYS 63 -1.145 -12.889 3.878 391 2HB CYS 63 HB1 CYS 63 -0.465 -14.055 2.752 392 H ASN 64 HN ASN 64 1.969 -13.222 3.477 393 HA ASN 64 HA ASN 64 4.029 -13.798 2.666 394 1HB ASN 64 HB2 ASN 64 3.615 -16.639 3.583 395 2HB ASN 64 HB1 ASN 64 5.131 -15.793 3.295 396 1HD2 ASN 64 1HD2 ASN 64 2.655 -16.511 5.533 397 2HD2 ASN 64 2HD2 ASN 64 3.312 -15.653 6.883 398 H THR 65 HN THR 65 1.221 -14.411 1.525 399 HA THR 65 HA THR 65 2.172 -16.065 -0.705 400 HB THR 65 HB THR 65 0.342 -17.071 0.662 401 HG1 THR 65 HG1 THR 65 -0.447 -17.918 -1.098 402 1HG2 THR 65 3HG2 THR 65 -1.169 -14.656 -0.269 403 2HG2 THR 65 2HG2 THR 65 -1.968 -16.158 0.196 404 3HG2 THR 65 1HG2 THR 65 -0.987 -15.282 1.370 405 H CYS 66 HN CYS 66 1.875 -15.306 -2.774 406 HA CYS 66 HA CYS 66 1.113 -12.496 -2.957 407 1HB CYS 66 HB2 CYS 66 2.261 -14.153 -5.196 408 2HB CYS 66 HB1 CYS 66 2.299 -12.401 -5.000 409 H GLN 67 HN GLN 67 -0.913 -14.362 -2.513 410 HA GLN 67 HA GLN 67 -2.461 -14.089 -4.994 411 1HB GLN 67 HB2 GLN 67 -2.331 -16.377 -4.979 412 2HB GLN 67 HB1 GLN 67 -2.025 -16.456 -3.253 413 1HG GLN 67 HG2 GLN 67 -4.728 -15.578 -3.823 414 2HG GLN 67 HG1 GLN 67 -4.364 -17.130 -4.570 415 1HE2 GLN 67 1HE2 GLN 67 -2.963 -15.909 -1.584 416 2HE2 GLN 67 2HE2 GLN 67 -3.672 -17.099 -0.551 417 H ALA 68 HN ALA 68 -3.366 -12.174 -4.314 418 HA ALA 68 HA ALA 68 -4.626 -11.996 -1.727 419 1HB ALA 68 HB2 ALA 68 -3.965 -10.115 -3.902 420 2HB ALA 68 HB1 ALA 68 -5.351 -9.713 -2.888 421 3HB ALA 68 HB3 ALA 68 -3.766 -9.960 -2.156 422 H THR 69 HN THR 69 -6.544 -12.747 -1.373 423 HA THR 69 HA THR 69 -8.404 -13.173 -3.572 424 HB THR 69 HB THR 69 -8.641 -15.059 -2.355 425 HG1 THR 69 HG1 THR 69 -10.624 -13.864 -1.974 426 1HG2 THR 69 2HG2 THR 69 -7.843 -13.575 0.137 427 2HG2 THR 69 1HG2 THR 69 -8.177 -15.306 0.029 428 3HG2 THR 69 3HG2 THR 69 -6.808 -14.614 -0.846 429 H TYR 70 HN TYR 70 -7.855 -10.926 -1.024 430 HA TYR 70 HA TYR 70 -10.189 -9.435 -1.856 431 1HB TYR 70 HB2 TYR 70 -11.506 -9.730 -0.055 432 2HB TYR 70 HB1 TYR 70 -10.528 -11.160 0.242 433 HD1 TYR 70 HD1 TYR 70 -9.630 -11.435 2.343 434 HD2 TYR 70 HD2 TYR 70 -10.508 -7.491 1.008 435 HE1 TYR 70 HE1 TYR 70 -9.000 -10.553 4.550 436 HE2 TYR 70 HE2 TYR 70 -9.878 -6.599 3.210 437 HH TYR 70 HH TYR 70 -9.770 -7.500 5.600 438 H THR 71 HN THR 71 -9.801 -7.311 -1.843 439 HA THR 71 HA THR 71 -7.522 -6.334 -0.249 440 HB THR 71 HB THR 71 -8.451 -5.366 -2.961 441 HG1 THR 71 HG1 THR 71 -6.388 -6.138 -3.602 442 1HG2 THR 71 1HG2 THR 71 -7.273 -3.773 -1.133 443 2HG2 THR 71 3HG2 THR 71 -5.857 -4.479 -1.913 444 3HG2 THR 71 2HG2 THR 71 -7.055 -3.615 -2.876 445 H ASP 72 HN ASP 72 -8.267 -5.183 1.403 446 HA ASP 72 HA ASP 72 -9.986 -2.934 0.930 447 1HB ASP 72 HB2 ASP 72 -11.529 -4.974 1.156 448 2HB ASP 72 HB1 ASP 72 -11.064 -4.981 2.855 449 H GLY 73 HN GLY 73 -10.200 -1.539 2.756 450 1HA GLY 73 HA1 GLY 73 -8.780 -2.206 5.190 451 2HA GLY 73 HA2 GLY 73 -9.664 -0.723 4.869 452 H ASP 74 HN ASP 74 -6.661 -2.442 4.086 453 HA ASP 74 HA ASP 74 -5.383 0.195 3.745 454 1HB ASP 74 HB2 ASP 74 -3.321 -0.824 4.710 455 2HB ASP 74 HB1 ASP 74 -4.660 -0.731 5.849 456 H GLY 75 HN GLY 75 -5.820 -3.001 2.513 457 1HA GLY 75 HA1 GLY 75 -3.561 -3.137 0.826 458 2HA GLY 75 HA2 GLY 75 -4.890 -2.376 -0.036 459 H ASP 76 HN ASP 76 -3.436 -5.032 -0.204 460 HA ASP 76 HA ASP 76 -5.775 -6.597 -0.817 461 1HB ASP 76 HB2 ASP 76 -2.920 -7.520 -1.069 462 2HB ASP 76 HB1 ASP 76 -4.326 -8.050 -1.984 463 H TRP 77 HN TRP 77 -5.681 -8.996 -0.277 464 HA TRP 77 HA TRP 77 -4.438 -9.712 2.214 465 1HB TRP 77 HB2 TRP 77 -7.451 -9.507 2.096 466 2HB TRP 77 HB1 TRP 77 -6.512 -10.144 3.439 467 HD1 TRP 77 HD1 TRP 77 -7.448 -6.837 1.748 468 HE1 TRP 77 HE1 TRP 77 -6.913 -4.913 3.360 469 HE3 TRP 77 HE3 TRP 77 -5.019 -9.483 5.381 470 HZ2 TRP 77 HZ2 TRP 77 -5.636 -4.560 5.840 471 HZ3 TRP 77 HZ3 TRP 77 -4.171 -8.273 7.339 472 HH2 TRP 77 HH2 TRP 77 -4.472 -5.857 7.567 473 H ALA 78 HN ALA 78 -4.633 -11.916 2.719 474 HA ALA 78 HA ALA 78 -5.964 -13.607 0.749 475 1HB ALA 78 HB3 ALA 78 -3.035 -13.755 1.441 476 2HB ALA 78 HB2 ALA 78 -3.915 -15.035 0.603 477 3HB ALA 78 HB1 ALA 78 -3.760 -13.441 -0.137 478 H PHE 79 HN PHE 79 -6.186 -15.847 1.452 479 HA PHE 79 HA PHE 79 -6.223 -16.052 4.390 480 1HB PHE 79 HB2 PHE 79 -8.439 -16.063 3.140 481 2HB PHE 79 HB1 PHE 79 -7.958 -17.627 2.490 482 HD1 PHE 79 HD1 PHE 79 -9.041 -19.364 3.504 483 HD2 PHE 79 HD2 PHE 79 -7.852 -16.029 5.864 484 HE1 PHE 79 HE1 PHE 79 -9.931 -20.473 5.512 485 HE2 PHE 79 HE2 PHE 79 -8.738 -17.132 7.877 486 HZ PHE 79 HZ PHE 79 -9.779 -19.357 7.703 487 H GLU 80 HN GLU 80 -4.501 -17.190 5.019 488 HA GLU 80 HA GLU 80 -4.021 -19.778 3.704 489 1HB GLU 80 HB2 GLU 80 -1.692 -19.498 3.722 490 2HB GLU 80 HB1 GLU 80 -2.307 -17.951 3.162 491 1HG GLU 80 HG2 GLU 80 -1.096 -16.976 4.733 492 2HG GLU 80 HG1 GLU 80 -2.148 -17.716 5.938 493 H ASN 81 HN ASN 81 -3.219 -21.447 5.056 494 HA ASN 81 HA ASN 81 -3.279 -22.702 6.955 495 1HB ASN 81 HB2 ASN 81 -1.996 -20.140 7.803 496 2HB ASN 81 HB1 ASN 81 -2.391 -21.334 9.036 497 1HD2 ASN 81 1HD2 ASN 81 0.176 -20.303 7.843 498 2HD2 ASN 81 2HD2 ASN 81 1.051 -21.730 7.420 499 H GLY 82 HN GLY 82 -5.668 -21.041 6.246 500 1HA GLY 82 HA1 GLY 82 -7.258 -21.702 8.495 501 2HA GLY 82 HA2 GLY 82 -7.780 -20.766 7.102 502 H ASN 83 HN ASN 83 -6.003 -18.601 7.300 503 HA ASN 83 HA ASN 83 -7.241 -17.188 9.516 504 1HB ASN 83 HB2 ASN 83 -5.078 -16.277 10.320 505 2HB ASN 83 HB1 ASN 83 -5.214 -18.015 10.564 506 1HD2 ASN 83 1HD2 ASN 83 -3.329 -18.938 10.274 507 2HD2 ASN 83 2HD2 ASN 83 -2.193 -18.572 9.026 508 H TRP 84 HN TRP 84 -7.541 -15.042 9.123 509 HA TRP 84 HA TRP 84 -7.188 -14.149 6.421 510 1HB TRP 84 HB2 TRP 84 -8.479 -13.076 8.884 511 2HB TRP 84 HB1 TRP 84 -8.055 -11.931 7.617 512 HD1 TRP 84 HD1 TRP 84 -11.000 -13.467 8.672 513 HE1 TRP 84 HE1 TRP 84 -12.617 -14.046 6.755 514 HE3 TRP 84 HE3 TRP 84 -7.735 -13.201 4.747 515 HZ2 TRP 84 HZ2 TRP 84 -12.521 -14.351 3.950 516 HZ3 TRP 84 HZ3 TRP 84 -8.578 -13.651 2.479 517 HH2 TRP 84 HH2 TRP 84 -10.921 -14.214 2.090 518 H CYS 85 HN CYS 85 -5.073 -13.875 5.924 519 HA CYS 85 HA CYS 85 -3.523 -11.989 7.566 520 1HB CYS 85 HB2 CYS 85 -1.665 -13.053 5.907 521 2HB CYS 85 HB1 CYS 85 -2.032 -13.690 7.503 522 H GLY 86 HN GLY 86 -1.835 -10.753 6.204 523 1HA GLY 86 HA1 GLY 86 -2.129 -8.742 4.897 524 2HA GLY 86 HA2 GLY 86 -3.274 -9.619 3.894 525 H ILE 87 HN ILE 87 -2.040 -8.921 2.050 526 HA ILE 87 HA ILE 87 -0.021 -10.837 1.334 527 HB ILE 87 HB ILE 87 -1.781 -9.008 -0.067 528 1HG1 ILE 87 2HG1 ILE 87 -1.792 -10.681 -1.718 529 2HG1 ILE 87 1HG1 ILE 87 -0.184 -11.245 -1.287 530 1HG2 ILE 87 1HG2 ILE 87 0.242 -7.731 -0.517 531 2HG2 ILE 87 3HG2 ILE 87 1.035 -9.188 -1.122 532 3HG2 ILE 87 2HG2 ILE 87 -0.352 -8.518 -1.980 533 1HD1 ILE 87 2HD1 ILE 87 -2.645 -11.570 0.408 534 2HD1 ILE 87 1HD1 ILE 87 -1.955 -12.802 -0.650 535 3HD1 ILE 87 3HD1 ILE 87 -1.043 -12.226 0.741 536 H LYS 88 HN LYS 88 2.107 -10.586 1.174 537 HA LYS 88 HA LYS 88 3.415 -8.476 2.540 538 1HB LYS 88 HB2 LYS 88 4.785 -10.317 0.595 539 2HB LYS 88 HB1 LYS 88 5.421 -9.611 2.074 540 1HG LYS 88 HG2 LYS 88 3.339 -11.778 1.889 541 2HG LYS 88 HG1 LYS 88 5.026 -11.980 2.357 542 1HD LYS 88 HD2 LYS 88 3.551 -9.964 3.887 543 2HD LYS 88 HD1 LYS 88 2.971 -11.615 4.093 544 1HE LYS 88 HE2 LYS 88 4.577 -11.490 5.740 545 2HE LYS 88 HE1 LYS 88 5.499 -12.169 4.400 546 1HZ LYS 88 HZ2 LYS 88 5.830 -9.546 3.999 547 2HZ LYS 88 HZ1 LYS 88 5.736 -9.588 5.687 548 3HZ LYS 88 HZ3 LYS 88 6.904 -10.509 4.880 549 H ASN 89 HN ASN 89 4.907 -6.940 1.713 550 HA ASN 89 HA ASN 89 3.998 -5.506 -0.529 551 1HB ASN 89 HB2 ASN 89 6.200 -5.291 1.407 552 2HB ASN 89 HB1 ASN 89 6.574 -4.618 -0.177 553 1HD2 ASN 89 1HD2 ASN 89 6.587 -2.855 1.731 554 2HD2 ASN 89 2HD2 ASN 89 5.162 -1.877 1.744 555 H SER 90 HN SER 90 6.333 -8.047 -0.140 556 HA SER 90 HA SER 90 7.743 -7.726 -2.575 557 1HB SER 90 HB2 SER 90 7.517 -9.735 -0.450 558 2HB SER 90 HB1 SER 90 7.826 -10.432 -2.041 559 HG SER 90 HG SER 90 9.334 -8.253 -1.063 560 H CYS 91 HN CYS 91 4.697 -9.114 -1.758 561 HA CYS 91 HA CYS 91 4.399 -10.423 -4.329 562 1HB CYS 91 HB2 CYS 91 2.568 -10.230 -1.934 563 2HB CYS 91 HB1 CYS 91 2.188 -11.115 -3.406 564 H LYS 92 HN LYS 92 4.756 -7.830 -4.799 565 HA LYS 92 HA LYS 92 2.106 -6.629 -5.169 566 1HB LYS 92 HB2 LYS 92 4.891 -5.547 -5.066 567 2HB LYS 92 HB1 LYS 92 3.673 -4.665 -5.977 568 1HG LYS 92 HG2 LYS 92 2.269 -4.581 -3.946 569 2HG LYS 92 HG1 LYS 92 3.574 -5.363 -3.051 570 1HD LYS 92 HD2 LYS 92 4.442 -3.031 -4.582 571 2HD LYS 92 HD1 LYS 92 3.237 -2.653 -3.351 572 1HE LYS 92 HE2 LYS 92 4.821 -4.215 -1.896 573 2HE LYS 92 HE1 LYS 92 6.011 -3.655 -3.067 574 1HZ LYS 92 HZ1 LYS 92 5.009 -1.344 -2.481 575 2HZ LYS 92 HZ3 LYS 92 4.512 -2.120 -1.062 576 3HZ LYS 92 HZ2 LYS 92 6.155 -2.050 -1.458 577 H GLN 93 HN GLN 93 5.093 -7.356 -6.899 578 HA GLN 93 HA GLN 93 3.522 -7.629 -9.374 579 1HB GLN 93 HB2 GLN 93 6.293 -6.472 -9.436 580 2HB GLN 93 HB1 GLN 93 5.047 -6.407 -10.672 581 1HG GLN 93 HG2 GLN 93 5.045 -4.919 -8.057 582 2HG GLN 93 HG1 GLN 93 5.350 -4.237 -9.654 583 1HE2 GLN 93 1HE2 GLN 93 3.299 -3.577 -7.676 584 2HE2 GLN 93 2HE2 GLN 93 1.783 -3.775 -8.480 585 H GLN 94 HN GLN 94 6.503 -8.334 -7.651 586 HA GLN 94 HA GLN 94 6.486 -11.051 -8.587 587 1HB GLN 94 HB2 GLN 94 8.876 -10.885 -9.421 588 2HB GLN 94 HB1 GLN 94 7.651 -10.177 -10.463 589 1HG GLN 94 HG2 GLN 94 8.450 -8.103 -8.790 590 2HG GLN 94 HG1 GLN 94 9.937 -8.952 -9.210 591 1HE2 GLN 94 1HE2 GLN 94 6.932 -8.124 -10.915 592 2HE2 GLN 94 2HE2 GLN 94 7.706 -7.411 -12.285 593 HA PRO 95 HA PRO 95 8.058 -11.748 -4.528 594 1HB PRO 95 HB2 PRO 95 9.865 -13.797 -5.161 595 2HB PRO 95 HB1 PRO 95 8.166 -14.004 -4.731 596 1HG PRO 95 HG2 PRO 95 9.448 -13.941 -7.421 597 2HG PRO 95 HG1 PRO 95 8.076 -14.908 -6.849 598 1HD PRO 95 HD2 PRO 95 7.712 -12.774 -8.424 599 2HD PRO 95 HD1 PRO 95 6.573 -13.154 -7.114 600 H GLN 96 HN GLN 96 9.170 -9.725 -4.384 601 HA GLN 96 HA GLN 96 11.549 -8.971 -5.465 602 1HB GLN 96 HB2 GLN 96 11.325 -7.246 -4.057 603 2HB GLN 96 HB1 GLN 96 9.921 -8.071 -3.400 604 1HG GLN 96 HG2 GLN 96 11.219 -7.511 -1.543 605 2HG GLN 96 HG1 GLN 96 11.533 -9.224 -1.808 606 1HE2 GLN 96 1HE2 GLN 96 12.845 -6.350 -3.422 607 2HE2 GLN 96 2HE2 GLN 96 14.497 -6.682 -3.043 608 H ASN 97 HN ASN 97 13.706 -9.304 -5.130 609 HA ASN 97 HA ASN 97 14.459 -11.355 -3.159 610 1HB ASN 97 HB2 ASN 97 14.394 -11.863 -5.825 611 2HB ASN 97 HB1 ASN 97 16.043 -11.272 -5.652 612 1HD2 ASN 97 1HD2 ASN 97 13.762 -13.727 -4.691 613 2HD2 ASN 97 2HD2 ASN 97 14.927 -14.862 -4.111 614 H ASN 98 HN ASN 98 17.166 -11.389 -3.558 615 HA ASN 98 HA ASN 98 18.042 -9.170 -2.102 616 1HB ASN 98 HB2 ASN 98 19.120 -11.566 -2.645 617 2HB ASN 98 HB1 ASN 98 20.024 -10.591 -3.800 618 1HD2 ASN 98 1HD2 ASN 98 21.903 -9.973 -3.047 619 2HD2 ASN 98 2HD2 ASN 98 22.265 -9.556 -1.410 620 H ASN 99 HN ASN 99 17.817 -7.157 -2.884 621 HA ASN 99 HA ASN 99 18.230 -6.531 -5.658 622 1HB ASN 99 HB2 ASN 99 16.551 -5.343 -4.283 623 2HB ASN 99 HB1 ASN 99 17.848 -4.676 -3.297 624 1HD2 ASN 99 1HD2 ASN 99 16.242 -2.895 -4.349 625 2HD2 ASN 99 2HD2 ASN 99 16.960 -2.082 -5.694 626 H GLN 100 HN GLN 100 20.222 -6.496 -6.468 627 HA GLN 100 HA GLN 100 22.573 -6.139 -4.954 628 1HB GLN 100 HB2 GLN 100 23.722 -6.017 -7.118 629 2HB GLN 100 HB1 GLN 100 22.565 -7.341 -7.080 630 1HG GLN 100 HG2 GLN 100 20.966 -5.584 -8.164 631 2HG GLN 100 HG1 GLN 100 22.475 -4.787 -8.606 632 1HE2 GLN 100 1HE2 GLN 100 21.161 -8.088 -8.560 633 2HE2 GLN 100 2HE2 GLN 100 21.708 -8.509 -10.144 No H/Q in entry = 633 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 6.738 7.234 -4.294 2 H2 ALA 1 HT3 ALA 1 7.710 5.968 -4.916 3 H3 ALA 1 HT2 ALA 1 7.521 7.421 -5.809 4 HA ALA 1 HA ALA 1 6.160 5.944 -6.855 5 1HB ALA 1 HB1 ALA 1 4.382 4.844 -5.097 6 2HB ALA 1 HB2 ALA 1 5.879 4.850 -4.162 7 3HB ALA 1 HB3 ALA 1 5.823 4.045 -5.729 8 H MET 2 HN MET 2 3.565 5.878 -6.846 9 HA MET 2 HA MET 2 2.238 8.030 -5.553 10 1HB MET 2 HB2 MET 2 1.822 9.146 -7.960 11 2HB MET 2 HB1 MET 2 3.075 9.683 -6.854 12 1HG MET 2 HG2 MET 2 4.136 9.538 -8.918 13 2HG MET 2 HG1 MET 2 4.619 8.068 -8.079 14 1HE MET 2 HE3 MET 2 4.406 6.009 -8.644 15 2HE MET 2 HE2 MET 2 2.732 5.505 -8.874 16 3HE MET 2 HE1 MET 2 3.887 5.354 -10.198 17 H ALA 3 HN ALA 3 0.582 6.611 -5.174 18 HA ALA 3 HA ALA 3 -1.275 6.224 -7.345 19 1HB ALA 3 HB2 ALA 3 -0.877 3.654 -6.033 20 2HB ALA 3 HB3 ALA 3 0.530 4.193 -6.954 21 3HB ALA 3 HB1 ALA 3 -1.039 4.042 -7.746 22 H CYS 4 HN CYS 4 -1.196 7.613 -4.807 23 HA CYS 4 HA CYS 4 -2.699 6.223 -2.845 24 1HB CYS 4 HB2 CYS 4 -1.416 8.715 -3.071 25 2HB CYS 4 HB1 CYS 4 -3.100 9.075 -2.719 26 H TRP 5 HN TRP 5 -4.847 6.904 -2.091 27 HA TRP 5 HA TRP 5 -6.684 7.122 -4.353 28 1HB TRP 5 HB2 TRP 5 -8.415 6.613 -2.523 29 2HB TRP 5 HB1 TRP 5 -7.294 5.323 -2.950 30 HD1 TRP 5 HD1 TRP 5 -5.882 4.327 -1.037 31 HE1 TRP 5 HE1 TRP 5 -5.566 4.850 1.465 32 HE3 TRP 5 HE3 TRP 5 -8.399 8.731 -0.850 33 HZ2 TRP 5 HZ2 TRP 5 -6.311 6.892 3.281 34 HZ3 TRP 5 HZ3 TRP 5 -8.568 9.923 1.297 35 HH2 TRP 5 HH2 TRP 5 -7.542 9.020 3.320 36 H ALA 6 HN ALA 6 -5.374 8.944 -1.763 37 HA ALA 6 HA ALA 6 -7.449 10.816 -1.360 38 1HB ALA 6 HB3 ALA 6 -4.469 11.085 -0.949 39 2HB ALA 6 HB2 ALA 6 -5.681 12.228 -0.365 40 3HB ALA 6 HB1 ALA 6 -5.659 10.575 0.250 41 H GLN 7 HN GLN 7 -4.899 10.521 -3.729 42 HA GLN 7 HA GLN 7 -4.869 13.128 -4.742 43 1HB GLN 7 HB2 GLN 7 -4.013 12.066 -6.842 44 2HB GLN 7 HB1 GLN 7 -3.148 11.589 -5.388 45 1HG GLN 7 HG2 GLN 7 -3.426 9.497 -6.068 46 2HG GLN 7 HG1 GLN 7 -5.117 9.680 -5.601 47 1HE2 GLN 7 1HE2 GLN 7 -2.855 9.647 -8.240 48 2HE2 GLN 7 2HE2 GLN 7 -4.022 9.509 -9.506 49 H SER 8 HN SER 8 -7.124 10.516 -5.188 50 HA SER 8 HA SER 8 -8.392 11.268 -7.541 51 1HB SER 8 HB2 SER 8 -9.753 10.133 -5.086 52 2HB SER 8 HB1 SER 8 -10.305 10.006 -6.757 53 HG SER 8 HG SER 8 -8.059 8.786 -5.549 54 H GLN 9 HN GLN 9 -8.449 12.749 -4.419 55 HA GLN 9 HA GLN 9 -10.669 14.495 -5.222 56 1HB GLN 9 HB2 GLN 9 -9.443 14.309 -2.475 57 2HB GLN 9 HB1 GLN 9 -10.996 15.003 -2.921 58 1HG GLN 9 HG2 GLN 9 -12.037 13.028 -2.843 59 2HG GLN 9 HG1 GLN 9 -10.709 12.185 -3.637 60 1HE2 GLN 9 1HE2 GLN 9 -12.214 12.964 -0.672 61 2HE2 GLN 9 2HE2 GLN 9 -11.144 12.089 0.364 62 H GLY 10 HN GLY 10 -7.276 14.414 -4.861 63 1HA GLY 10 HA1 GLY 10 -7.199 17.369 -4.962 64 2HA GLY 10 HA2 GLY 10 -6.147 16.345 -5.926 65 H TYR 11 HN TYR 11 -6.036 14.564 -3.376 66 HA TYR 11 HA TYR 11 -4.144 16.230 -1.856 67 1HB TYR 11 HB2 TYR 11 -5.971 13.997 -1.126 68 2HB TYR 11 HB1 TYR 11 -4.445 14.105 -0.259 69 HD1 TYR 11 HD1 TYR 11 -7.735 15.548 -0.741 70 HD2 TYR 11 HD2 TYR 11 -3.963 16.093 1.154 71 HE1 TYR 11 HE1 TYR 11 -8.736 17.207 0.767 72 HE2 TYR 11 HE2 TYR 11 -4.955 17.750 2.666 73 HH TYR 11 HH TYR 11 -8.351 18.236 2.896 74 H ASN 12 HN ASN 12 -2.030 15.678 -1.758 75 HA ASN 12 HA ASN 12 -1.092 13.548 -3.465 76 1HB ASN 12 HB2 ASN 12 1.180 14.325 -2.662 77 2HB ASN 12 HB1 ASN 12 0.217 15.554 -3.478 78 1HD2 ASN 12 1HD2 ASN 12 2.038 14.845 -0.786 79 2HD2 ASN 12 2HD2 ASN 12 1.553 16.161 0.222 80 H CYS 13 HN CYS 13 0.063 11.691 -2.778 81 HA CYS 13 HA CYS 13 -0.905 10.529 -0.402 82 1HB CYS 13 HB2 CYS 13 0.125 9.447 -2.591 83 2HB CYS 13 HB1 CYS 13 1.593 9.468 -1.623 84 H CYS 14 HN CYS 14 0.425 9.625 1.327 85 HA CYS 14 HA CYS 14 2.307 11.654 2.289 86 1HB CYS 14 HB2 CYS 14 0.174 10.300 3.498 87 2HB CYS 14 HB1 CYS 14 1.619 9.604 4.218 88 H ASN 15 HN ASN 15 4.187 11.023 1.218 89 HA ASN 15 HA ASN 15 5.355 8.692 0.694 90 1HB ASN 15 HB2 ASN 15 6.436 10.871 0.347 91 2HB ASN 15 HB1 ASN 15 6.726 11.011 2.078 92 1HD2 ASN 15 1HD2 ASN 15 8.642 10.436 2.754 93 2HD2 ASN 15 2HD2 ASN 15 9.735 9.370 1.943 94 H ASN 16 HN ASN 16 5.685 6.857 1.755 95 HA ASN 16 HA ASN 16 6.200 5.359 3.391 96 1HB ASN 16 HB2 ASN 16 7.118 7.845 4.841 97 2HB ASN 16 HB1 ASN 16 7.172 6.249 5.580 98 1HD2 ASN 16 1HD2 ASN 16 8.007 7.703 2.464 99 2HD2 ASN 16 2HD2 ASN 16 9.569 6.977 2.347 100 HA PRO 17 HA PRO 17 1.994 6.827 5.104 101 1HB PRO 17 HB2 PRO 17 0.696 4.614 4.037 102 2HB PRO 17 HB1 PRO 17 0.708 6.231 3.329 103 1HG PRO 17 HG2 PRO 17 2.364 3.848 2.641 104 2HG PRO 17 HG1 PRO 17 1.671 5.082 1.575 105 1HD PRO 17 HD2 PRO 17 4.275 5.082 2.225 106 2HD PRO 17 HD1 PRO 17 3.367 6.594 2.012 107 H SER 18 HN SER 18 3.960 3.979 5.056 108 HA SER 18 HA SER 18 2.529 2.598 7.137 109 1HB SER 18 HB2 SER 18 5.381 1.978 6.480 110 2HB SER 18 HB1 SER 18 4.051 0.879 6.848 111 HG SER 18 HG SER 18 4.953 1.506 4.483 112 H SER 19 HN SER 19 4.412 5.307 7.136 113 HA SER 19 HA SER 19 5.086 4.951 9.966 114 1HB SER 19 HB2 SER 19 7.101 4.641 8.420 115 2HB SER 19 HB1 SER 19 6.937 6.354 8.032 116 HG SER 19 HG SER 19 7.688 5.130 10.439 117 H THR 20 HN THR 20 2.921 6.323 8.459 118 HA THR 20 HA THR 20 3.487 9.116 9.119 119 HB THR 20 HB THR 20 1.612 7.751 7.215 120 HG1 THR 20 HG1 THR 20 3.238 8.450 6.066 121 1HG2 THR 20 2HG2 THR 20 1.319 10.581 8.166 122 2HG2 THR 20 1HG2 THR 20 0.526 9.885 6.753 123 3HG2 THR 20 3HG2 THR 20 0.159 9.268 8.363 124 H LYS 21 HN LYS 21 2.187 10.260 10.505 125 HA LYS 21 HA LYS 21 0.539 8.668 12.302 126 1HB LYS 21 HB2 LYS 21 2.122 10.155 13.358 127 2HB LYS 21 HB1 LYS 21 1.518 11.525 12.438 128 1HG LYS 21 HG2 LYS 21 0.623 11.760 14.596 129 2HG LYS 21 HG1 LYS 21 -0.702 11.157 13.596 130 1HD LYS 21 HD2 LYS 21 -0.824 9.210 14.716 131 2HD LYS 21 HD1 LYS 21 0.929 9.071 14.866 132 1HE LYS 21 HE2 LYS 21 0.992 10.367 16.794 133 2HE LYS 21 HE1 LYS 21 -0.575 11.104 16.465 134 1HZ LYS 21 HZ2 LYS 21 -1.592 8.909 16.890 135 2HZ LYS 21 HZ1 LYS 21 -0.075 8.311 17.342 136 3HZ LYS 21 HZ3 LYS 21 -0.804 9.545 18.245 137 H VAL 22 HN VAL 22 -1.568 8.469 11.878 138 HA VAL 22 HA VAL 22 -2.903 10.391 10.186 139 HB VAL 22 HB VAL 22 -4.021 7.869 11.408 140 1HG1 VAL 22 3HG1 VAL 22 -5.278 9.946 10.097 141 2HG1 VAL 22 2HG1 VAL 22 -5.064 8.727 8.842 142 3HG1 VAL 22 1HG1 VAL 22 -5.918 8.319 10.332 143 1HG2 VAL 22 2HG2 VAL 22 -1.942 7.979 9.595 144 2HG2 VAL 22 1HG2 VAL 22 -3.004 6.601 9.882 145 3HG2 VAL 22 3HG2 VAL 22 -3.365 7.736 8.583 146 H GLU 23 HN GLU 23 -3.267 12.170 11.401 147 HA GLU 23 HA GLU 23 -4.501 11.911 14.026 148 1HB GLU 23 HB2 GLU 23 -4.426 14.527 13.784 149 2HB GLU 23 HB1 GLU 23 -2.960 13.628 14.143 150 1HG GLU 23 HG2 GLU 23 -2.043 14.031 12.103 151 2HG GLU 23 HG1 GLU 23 -3.607 14.125 11.292 152 H TYR 24 HN TYR 24 -5.532 11.748 10.952 153 HA TYR 24 HA TYR 24 -8.183 12.806 11.691 154 1HB TYR 24 HB2 TYR 24 -6.768 14.344 10.135 155 2HB TYR 24 HB1 TYR 24 -7.180 13.170 8.891 156 HD1 TYR 24 HD1 TYR 24 -8.305 16.003 10.785 157 HD2 TYR 24 HD2 TYR 24 -9.630 12.732 8.409 158 HE1 TYR 24 HE1 TYR 24 -10.463 17.132 10.446 159 HE2 TYR 24 HE2 TYR 24 -11.792 13.851 8.062 160 HH TYR 24 HH TYR 24 -12.509 16.536 8.148 161 H THR 25 HN THR 25 -9.966 11.880 10.548 162 HA THR 25 HA THR 25 -9.583 9.733 8.708 163 HB THR 25 HB THR 25 -10.632 8.959 11.433 164 HG1 THR 25 HG1 THR 25 -8.645 8.658 11.973 165 1HG2 THR 25 2HG2 THR 25 -10.940 7.713 8.974 166 2HG2 THR 25 1HG2 THR 25 -9.626 6.839 9.764 167 3HG2 THR 25 3HG2 THR 25 -11.188 7.000 10.569 168 H ASP 26 HN ASP 26 -11.123 10.429 7.373 169 HA ASP 26 HA ASP 26 -13.793 10.987 8.476 170 1HB ASP 26 HB2 ASP 26 -12.214 12.469 6.709 171 2HB ASP 26 HB1 ASP 26 -13.433 11.718 5.683 172 H ALA 27 HN ALA 27 -15.140 10.742 5.951 173 HA ALA 27 HA ALA 27 -15.434 7.865 5.909 174 1HB ALA 27 HB3 ALA 27 -17.227 9.870 5.668 175 2HB ALA 27 HB2 ALA 27 -16.966 9.467 3.972 176 3HB ALA 27 HB1 ALA 27 -17.507 8.224 5.100 177 H SER 28 HN SER 28 -13.196 9.684 4.547 178 HA SER 28 HA SER 28 -13.294 8.398 1.912 179 1HB SER 28 HB2 SER 28 -11.744 10.770 2.960 180 2HB SER 28 HB1 SER 28 -11.385 10.011 1.408 181 HG SER 28 HG SER 28 -13.660 11.452 2.206 182 H GLY 29 HN GLY 29 -11.623 8.491 4.935 183 1HA GLY 29 HA1 GLY 29 -9.431 6.848 3.899 184 2HA GLY 29 HA2 GLY 29 -10.486 6.159 5.124 185 H GLN 30 HN GLN 30 -7.566 6.909 5.089 186 HA GLN 30 HA GLN 30 -7.613 8.434 7.598 187 1HB GLN 30 HB2 GLN 30 -6.082 6.131 6.621 188 2HB GLN 30 HB1 GLN 30 -5.095 7.350 7.413 189 1HG GLN 30 HG2 GLN 30 -5.635 6.273 9.287 190 2HG GLN 30 HG1 GLN 30 -7.171 7.129 9.150 191 1HE2 GLN 30 1HE2 GLN 30 -5.516 4.123 8.375 192 2HE2 GLN 30 2HE2 GLN 30 -6.933 3.135 8.346 193 H TRP 31 HN TRP 31 -6.280 10.193 7.917 194 HA TRP 31 HA TRP 31 -4.627 11.067 5.653 195 1HB TRP 31 HB2 TRP 31 -6.392 12.980 7.178 196 2HB TRP 31 HB1 TRP 31 -5.477 13.295 5.710 197 HD1 TRP 31 HD1 TRP 31 -8.585 11.318 6.884 198 HE1 TRP 31 HE1 TRP 31 -10.176 11.076 4.875 199 HE3 TRP 31 HE3 TRP 31 -5.630 13.379 3.259 200 HZ2 TRP 31 HZ2 TRP 31 -10.175 11.681 2.115 201 HZ3 TRP 31 HZ3 TRP 31 -6.498 13.508 0.962 202 HH2 TRP 31 HH2 TRP 31 -8.723 12.677 0.403 203 H GLY 32 HN GLY 32 -2.980 12.611 6.221 204 1HA GLY 32 HA1 GLY 32 -1.404 11.975 8.343 205 2HA GLY 32 HA2 GLY 32 -2.468 13.224 8.980 206 H VAL 33 HN VAL 33 -0.084 14.070 9.157 207 HA VAL 33 HA VAL 33 0.527 15.564 6.695 208 HB VAL 33 HB VAL 33 -0.486 17.148 8.151 209 1HG1 VAL 33 3HG1 VAL 33 -0.216 15.741 10.203 210 2HG1 VAL 33 2HG1 VAL 33 1.430 16.360 10.333 211 3HG1 VAL 33 1HG1 VAL 33 0.062 17.467 10.442 212 1HG2 VAL 33 3HG2 VAL 33 1.520 17.944 7.009 213 2HG2 VAL 33 2HG2 VAL 33 1.331 18.731 8.575 214 3HG2 VAL 33 1HG2 VAL 33 2.512 17.435 8.377 215 H GLN 34 HN GLN 34 2.295 14.499 6.000 216 HA GLN 34 HA GLN 34 4.462 13.995 7.911 217 1HB GLN 34 HB2 GLN 34 3.540 12.181 6.310 218 2HB GLN 34 HB1 GLN 34 4.429 13.040 5.059 219 1HG GLN 34 HG2 GLN 34 6.276 11.982 5.635 220 2HG GLN 34 HG1 GLN 34 6.176 12.671 7.254 221 1HE2 GLN 34 1HE2 GLN 34 6.162 9.869 5.460 222 2HE2 GLN 34 2HE2 GLN 34 5.569 8.776 6.662 223 H ASN 35 HN ASN 35 6.488 14.855 7.632 224 HA ASN 35 HA ASN 35 7.956 16.514 7.135 225 1HB ASN 35 HB2 ASN 35 8.741 16.519 4.918 226 2HB ASN 35 HB1 ASN 35 8.047 14.914 5.130 227 1HD2 ASN 35 1HD2 ASN 35 6.375 14.290 3.881 228 2HD2 ASN 35 2HD2 ASN 35 5.673 15.264 2.638 229 H GLY 36 HN GLY 36 5.158 17.303 7.643 230 1HA GLY 36 HA1 GLY 36 5.434 20.070 6.991 231 2HA GLY 36 HA2 GLY 36 4.079 19.329 7.826 232 H GLN 37 HN GLN 37 3.273 17.496 5.856 233 HA GLN 37 HA GLN 37 1.956 19.328 4.023 234 1HB GLN 37 HB2 GLN 37 3.532 16.956 3.005 235 2HB GLN 37 HB1 GLN 37 2.528 18.019 2.032 236 1HG GLN 37 HG2 GLN 37 4.957 18.917 3.563 237 2HG GLN 37 HG1 GLN 37 4.963 18.461 1.862 238 1HE2 GLN 37 1HE2 GLN 37 2.726 19.592 0.888 239 2HE2 GLN 37 2HE2 GLN 37 2.794 21.311 1.040 240 H TRP 38 HN TRP 38 -0.101 18.703 3.560 241 HA TRP 38 HA TRP 38 -1.264 16.570 5.010 242 1HB TRP 38 HB2 TRP 38 -2.259 18.376 2.822 243 2HB TRP 38 HB1 TRP 38 -3.244 17.037 3.397 244 HD1 TRP 38 HD1 TRP 38 -3.405 20.440 3.769 245 HE1 TRP 38 HE1 TRP 38 -4.117 21.239 6.112 246 HE3 TRP 38 HE3 TRP 38 -2.459 16.164 6.412 247 HZ2 TRP 38 HZ2 TRP 38 -4.261 20.193 8.729 248 HZ3 TRP 38 HZ3 TRP 38 -2.913 16.147 8.830 249 HH2 TRP 38 HH2 TRP 38 -3.796 18.121 9.962 250 H CYS 39 HN CYS 39 -2.059 14.576 4.317 251 HA CYS 39 HA CYS 39 -2.007 13.679 1.658 252 1HB CYS 39 HB2 CYS 39 -0.080 11.920 2.324 253 2HB CYS 39 HB1 CYS 39 0.225 13.395 1.425 254 H GLY 40 HN GLY 40 -2.498 11.401 1.431 255 1HA GLY 40 HA1 GLY 40 -4.183 9.878 2.093 256 2HA GLY 40 HA2 GLY 40 -4.002 10.435 3.751 257 H ILE 41 HN ILE 41 -3.784 8.337 4.575 258 HA ILE 41 HA ILE 41 -1.106 7.247 4.257 259 HB ILE 41 HB ILE 41 -3.278 6.890 6.283 260 1HG1 ILE 41 2HG1 ILE 41 -1.155 7.255 7.747 261 2HG1 ILE 41 1HG1 ILE 41 -0.428 7.809 6.241 262 1HG2 ILE 41 2HG2 ILE 41 -1.089 4.955 5.682 263 2HG2 ILE 41 1HG2 ILE 41 -1.615 5.200 7.348 264 3HG2 ILE 41 3HG2 ILE 41 -2.768 4.651 6.131 265 1HD1 ILE 41 2HD1 ILE 41 -3.035 8.987 6.779 266 2HD1 ILE 41 1HD1 ILE 41 -1.818 9.358 7.999 267 3HD1 ILE 41 3HD1 ILE 41 -1.518 9.748 6.306 268 H ASP 42 HN ASP 42 -1.045 6.101 2.380 269 HA ASP 42 HA ASP 42 -2.853 3.781 2.208 270 1HB ASP 42 HB2 ASP 42 -2.801 5.798 0.372 271 2HB ASP 42 HB1 ASP 42 -1.619 4.681 -0.313 272 H TYR 43 HN TYR 43 -1.577 2.214 3.023 273 HA TYR 43 HA TYR 43 1.204 2.034 2.696 274 1HB TYR 43 HB2 TYR 43 -0.591 -0.349 3.115 275 2HB TYR 43 HB1 TYR 43 1.055 -0.106 3.691 276 HD1 TYR 43 HD1 TYR 43 0.638 2.745 4.724 277 HD2 TYR 43 HD2 TYR 43 -1.620 -0.828 5.205 278 HE1 TYR 43 HE1 TYR 43 -0.237 3.595 6.861 279 HE2 TYR 43 HE2 TYR 43 -2.501 0.010 7.342 280 HH TYR 43 HH TYR 43 -1.278 2.146 9.126 281 H SER 44 HN SER 44 -1.258 1.532 0.432 282 HA SER 44 HA SER 44 0.605 0.068 -1.300 283 1HB SER 44 HB2 SER 44 -2.297 -0.417 -0.793 284 2HB SER 44 HB1 SER 44 -1.654 -0.735 -2.405 285 HG SER 44 HG SER 44 -1.404 -2.608 -1.282 286 H TYR 45 HN TYR 45 0.736 2.759 -1.378 287 HA TYR 45 HA TYR 45 -1.063 3.748 -3.413 288 1HB TYR 45 HB2 TYR 45 -0.307 5.864 -2.932 289 2HB TYR 45 HB1 TYR 45 0.009 5.061 -1.399 290 HD1 TYR 45 HD1 TYR 45 1.332 7.563 -2.888 291 HD2 TYR 45 HD2 TYR 45 2.447 3.524 -2.218 292 HE1 TYR 45 HE1 TYR 45 3.695 8.208 -3.029 293 HE2 TYR 45 HE2 TYR 45 4.806 4.142 -2.373 294 HH TYR 45 HH TYR 45 5.942 7.184 -2.082 295 H GLY 46 HN GLY 46 0.695 1.528 -4.122 296 1HA GLY 46 HA1 GLY 46 1.654 2.615 -6.612 297 2HA GLY 46 HA2 GLY 46 1.625 0.922 -6.154 298 H GLN 47 HN GLN 47 3.244 0.413 -4.297 299 HA GLN 47 HA GLN 47 5.776 1.779 -4.944 300 1HB GLN 47 HB2 GLN 47 4.550 1.404 -2.422 301 2HB GLN 47 HB1 GLN 47 5.938 0.325 -2.466 302 1HG GLN 47 HG2 GLN 47 6.359 3.100 -3.397 303 2HG GLN 47 HG1 GLN 47 6.095 2.856 -1.671 304 1HE2 GLN 47 1HE2 GLN 47 7.884 2.642 -0.554 305 2HE2 GLN 47 2HE2 GLN 47 9.365 1.951 -1.113 306 H ASN 48 HN ASN 48 7.635 0.125 -4.025 307 HA ASN 48 HA ASN 48 7.716 -1.955 -5.914 308 1HB ASN 48 HB2 ASN 48 9.375 -1.541 -3.418 309 2HB ASN 48 HB1 ASN 48 9.751 -2.698 -4.692 310 1HD2 ASN 48 1HD2 ASN 48 9.375 -1.409 -6.964 311 2HD2 ASN 48 2HD2 ASN 48 10.383 -0.010 -7.080 312 H GLN 49 HN GLN 49 7.092 -4.027 -5.855 313 HA GLN 49 HA GLN 49 5.632 -4.950 -3.510 314 1HB GLN 49 HB2 GLN 49 4.335 -5.428 -5.343 315 2HB GLN 49 HB1 GLN 49 5.713 -5.634 -6.407 316 1HG GLN 49 HG2 GLN 49 6.020 -7.861 -5.750 317 2HG GLN 49 HG1 GLN 49 4.998 -7.670 -4.326 318 1HE2 GLN 49 1HE2 GLN 49 4.237 -6.471 -7.536 319 2HE2 GLN 49 2HE2 GLN 49 2.894 -7.520 -7.813 320 H GLY 50 HN GLY 50 8.472 -4.743 -3.244 321 1HA GLY 50 HA1 GLY 50 10.414 -6.058 -3.012 322 2HA GLY 50 HA2 GLY 50 9.463 -7.486 -3.388 323 H ASN 51 HN ASN 51 7.375 -6.598 -1.411 324 HA ASN 51 HA ASN 51 6.827 -7.137 0.733 325 1HB ASN 51 HB2 ASN 51 8.604 -9.060 0.033 326 2HB ASN 51 HB1 ASN 51 9.433 -8.348 1.414 327 1HD2 ASN 51 1HD2 ASN 51 7.197 -7.614 2.922 328 2HD2 ASN 51 2HD2 ASN 51 6.422 -9.052 3.484 329 H GLU 52 HN GLU 52 7.864 -4.599 0.240 330 HA GLU 52 HA GLU 52 9.898 -3.902 2.115 331 1HB GLU 52 HB2 GLU 52 7.850 -2.131 0.768 332 2HB GLU 52 HB1 GLU 52 9.306 -1.584 1.588 333 1HG GLU 52 HG2 GLU 52 10.380 -3.293 -0.190 334 2HG GLU 52 HG1 GLU 52 8.961 -2.756 -1.087 335 H SER 53 HN SER 53 6.394 -3.973 2.165 336 HA SER 53 HA SER 53 6.373 -3.917 5.040 337 1HB SER 53 HB2 SER 53 6.426 -1.460 4.208 338 2HB SER 53 HB1 SER 53 4.761 -1.753 3.706 339 HG SER 53 HG SER 53 5.858 -1.617 6.272 340 H CYS 54 HN CYS 54 3.837 -3.673 5.689 341 HA CYS 54 HA CYS 54 2.100 -4.941 3.761 342 1HB CYS 54 HB2 CYS 54 1.587 -6.849 5.351 343 2HB CYS 54 HB1 CYS 54 3.132 -6.931 4.514 344 H THR 55 HN THR 55 -0.058 -5.530 4.894 345 HA THR 55 HA THR 55 -0.865 -3.175 6.392 346 HB THR 55 HB THR 55 -2.548 -5.412 5.240 347 HG1 THR 55 HG1 THR 55 -2.946 -3.934 3.566 348 1HG2 THR 55 1HG2 THR 55 -3.231 -3.126 6.863 349 2HG2 THR 55 3HG2 THR 55 -4.037 -3.082 5.294 350 3HG2 THR 55 2HG2 THR 55 -4.227 -4.486 6.346 351 H GLY 56 HN GLY 56 -1.986 -3.294 8.377 352 1HA GLY 56 HA1 GLY 56 -2.036 -5.882 9.730 353 2HA GLY 56 HA2 GLY 56 -2.784 -4.397 10.302 354 H ASN 57 HN ASN 57 0.070 -3.267 9.428 355 HA ASN 57 HA ASN 57 1.737 -4.301 11.532 356 1HB ASN 57 HB2 ASN 57 3.327 -2.562 10.821 357 2HB ASN 57 HB1 ASN 57 2.745 -3.513 9.460 358 1HD2 ASN 57 1HD2 ASN 57 1.285 -2.574 8.000 359 2HD2 ASN 57 2HD2 ASN 57 1.115 -0.860 7.873 360 H GLY 58 HN GLY 58 -0.887 -2.359 11.621 361 1HA GLY 58 HA1 GLY 58 -0.903 -0.148 12.867 362 2HA GLY 58 HA2 GLY 58 0.095 -0.996 14.043 363 H SER 59 HN SER 59 -1.594 -3.482 13.322 364 HA SER 59 HA SER 59 -3.495 -3.104 15.450 365 1HB SER 59 HB2 SER 59 -5.312 -4.026 13.664 366 2HB SER 59 HB1 SER 59 -5.114 -2.321 14.067 367 HG SER 59 HG SER 59 -4.224 -3.732 11.806 368 H TYR 60 HN TYR 60 -3.231 -5.269 12.608 369 HA TYR 60 HA TYR 60 -2.828 -7.505 14.478 370 1HB TYR 60 HB2 TYR 60 -4.267 -8.461 12.200 371 2HB TYR 60 HB1 TYR 60 -4.739 -8.496 13.893 372 HD1 TYR 60 HD1 TYR 60 -4.494 -5.890 11.209 373 HD2 TYR 60 HD2 TYR 60 -6.834 -7.645 14.298 374 HE1 TYR 60 HE1 TYR 60 -6.314 -4.311 10.717 375 HE2 TYR 60 HE2 TYR 60 -8.659 -6.068 13.819 376 HH TYR 60 HH TYR 60 -9.020 -3.925 12.791 377 HA PRO 61 HA PRO 61 0.598 -8.989 12.165 378 1HB PRO 61 HB2 PRO 61 -0.319 -11.594 11.607 379 2HB PRO 61 HB1 PRO 61 0.628 -11.090 13.008 380 1HG PRO 61 HG2 PRO 61 -2.321 -11.469 12.747 381 2HG PRO 61 HG1 PRO 61 -1.258 -11.819 14.125 382 1HD PRO 61 HD2 PRO 61 -2.832 -9.676 14.151 383 2HD PRO 61 HD1 PRO 61 -1.170 -9.573 14.776 384 H CYS 62 HN CYS 62 1.294 -9.508 10.053 385 HA CYS 62 HA CYS 62 -0.591 -8.759 7.995 386 1HB CYS 62 HB2 CYS 62 2.338 -9.504 7.794 387 2HB CYS 62 HB1 CYS 62 1.364 -8.819 6.496 388 H CYS 63 HN CYS 63 -1.305 -10.040 6.308 389 HA CYS 63 HA CYS 63 -1.671 -12.776 6.877 390 1HB CYS 63 HB2 CYS 63 -2.195 -11.146 4.396 391 2HB CYS 63 HB1 CYS 63 -2.611 -12.850 4.519 392 H ASN 64 HN ASN 64 -0.244 -11.460 3.944 393 HA ASN 64 HA ASN 64 2.043 -11.990 3.287 394 1HB ASN 64 HB2 ASN 64 2.973 -14.132 3.499 395 2HB ASN 64 HB1 ASN 64 2.135 -13.894 5.024 396 1HD2 ASN 64 1HD2 ASN 64 1.807 -15.339 1.821 397 2HD2 ASN 64 2HD2 ASN 64 0.786 -16.643 2.313 398 H THR 65 HN THR 65 -1.039 -12.389 2.478 399 HA THR 65 HA THR 65 -0.390 -13.361 -0.224 400 HB THR 65 HB THR 65 -1.765 -14.989 1.066 401 HG1 THR 65 HG1 THR 65 -1.998 -14.680 -1.249 402 1HG2 THR 65 2HG2 THR 65 -3.039 -13.048 2.271 403 2HG2 THR 65 1HG2 THR 65 -4.113 -13.170 0.877 404 3HG2 THR 65 3HG2 THR 65 -3.848 -14.573 1.912 405 H CYS 66 HN CYS 66 -1.573 -12.382 -1.948 406 HA CYS 66 HA CYS 66 -2.329 -9.635 -1.369 407 1HB CYS 66 HB2 CYS 66 -0.965 -9.693 -3.263 408 2HB CYS 66 HB1 CYS 66 -1.677 -11.187 -3.857 409 H GLN 67 HN GLN 67 -3.893 -12.435 -1.143 410 HA GLN 67 HA GLN 67 -6.349 -11.773 -2.502 411 1HB GLN 67 HB2 GLN 67 -5.983 -14.086 -2.397 412 2HB GLN 67 HB1 GLN 67 -5.421 -14.021 -0.735 413 1HG GLN 67 HG2 GLN 67 -8.136 -13.144 -0.830 414 2HG GLN 67 HG1 GLN 67 -7.988 -14.670 -1.696 415 1HE2 GLN 67 1HE2 GLN 67 -6.060 -13.587 1.048 416 2HE2 GLN 67 2HE2 GLN 67 -6.588 -14.820 2.136 417 H ALA 68 HN ALA 68 -6.989 -9.827 -1.621 418 HA ALA 68 HA ALA 68 -7.370 -9.677 1.256 419 1HB ALA 68 HB3 ALA 68 -6.504 -7.823 -0.609 420 2HB ALA 68 HB2 ALA 68 -8.136 -7.301 -0.189 421 3HB ALA 68 HB1 ALA 68 -6.927 -7.521 1.077 422 H THR 69 HN THR 69 -9.145 -10.921 1.559 423 HA THR 69 HA THR 69 -11.505 -10.873 0.061 424 HB THR 69 HB THR 69 -11.476 -12.701 1.433 425 HG1 THR 69 HG1 THR 69 -13.035 -12.460 3.001 426 1HG2 THR 69 2HG2 THR 69 -10.303 -10.935 3.545 427 2HG2 THR 69 1HG2 THR 69 -10.898 -12.562 3.890 428 3HG2 THR 69 3HG2 THR 69 -9.577 -12.328 2.741 429 H TYR 70 HN TYR 70 -10.279 -8.623 2.400 430 HA TYR 70 HA TYR 70 -12.591 -6.939 1.944 431 1HB TYR 70 HB2 TYR 70 -13.428 -6.852 4.069 432 2HB TYR 70 HB1 TYR 70 -12.853 -8.512 4.061 433 HD1 TYR 70 HD1 TYR 70 -11.454 -9.238 5.767 434 HD2 TYR 70 HD2 TYR 70 -11.765 -5.068 4.987 435 HE1 TYR 70 HE1 TYR 70 -10.094 -8.770 7.762 436 HE2 TYR 70 HE2 TYR 70 -10.406 -4.588 6.980 437 HH TYR 70 HH TYR 70 -8.520 -6.731 8.481 438 H THR 71 HN THR 71 -12.191 -4.776 2.190 439 HA THR 71 HA THR 71 -9.440 -4.039 2.945 440 HB THR 71 HB THR 71 -11.165 -2.872 0.752 441 HG1 THR 71 HG1 THR 71 -9.809 -3.839 -0.592 442 1HG2 THR 71 3HG2 THR 71 -9.632 -1.260 2.112 443 2HG2 THR 71 2HG2 THR 71 -8.341 -2.045 1.198 444 3HG2 THR 71 1HG2 THR 71 -9.641 -1.211 0.348 445 H ASP 72 HN ASP 72 -9.190 -2.338 4.298 446 HA ASP 72 HA ASP 72 -11.647 -0.970 5.164 447 1HB ASP 72 HB2 ASP 72 -10.115 -2.644 6.711 448 2HB ASP 72 HB1 ASP 72 -9.460 -1.063 7.124 449 H GLY 73 HN GLY 73 -10.513 0.907 6.834 450 1HA GLY 73 HA1 GLY 73 -9.781 3.082 6.673 451 2HA GLY 73 HA2 GLY 73 -9.640 2.850 4.939 452 H ASP 74 HN ASP 74 -7.865 0.389 6.203 453 HA ASP 74 HA ASP 74 -5.426 2.046 6.238 454 1HB ASP 74 HB2 ASP 74 -6.365 -0.047 8.071 455 2HB ASP 74 HB1 ASP 74 -4.697 -0.252 7.545 456 H GLY 75 HN GLY 75 -7.041 0.186 4.224 457 1HA GLY 75 HA1 GLY 75 -4.638 -1.241 3.267 458 2HA GLY 75 HA2 GLY 75 -5.707 -0.360 2.185 459 H ASP 76 HN ASP 76 -4.982 -3.136 2.035 460 HA ASP 76 HA ASP 76 -7.675 -4.253 2.026 461 1HB ASP 76 HB2 ASP 76 -5.541 -5.978 1.004 462 2HB ASP 76 HB1 ASP 76 -7.036 -5.462 0.237 463 H TRP 77 HN TRP 77 -7.843 -6.654 2.616 464 HA TRP 77 HA TRP 77 -6.021 -7.551 4.675 465 1HB TRP 77 HB2 TRP 77 -8.901 -7.018 5.405 466 2HB TRP 77 HB1 TRP 77 -7.634 -7.620 6.469 467 HD1 TRP 77 HD1 TRP 77 -8.838 -4.389 4.779 468 HE1 TRP 77 HE1 TRP 77 -7.744 -2.392 5.970 469 HE3 TRP 77 HE3 TRP 77 -5.621 -6.926 7.832 470 HZ2 TRP 77 HZ2 TRP 77 -5.782 -1.951 7.939 471 HZ3 TRP 77 HZ3 TRP 77 -4.167 -5.641 9.338 472 HH2 TRP 77 HH2 TRP 77 -4.245 -3.200 9.392 473 H ALA 78 HN ALA 78 -6.394 -9.696 5.394 474 HA ALA 78 HA ALA 78 -8.447 -11.234 4.034 475 1HB ALA 78 HB2 ALA 78 -6.252 -11.134 2.670 476 2HB ALA 78 HB3 ALA 78 -7.061 -12.681 2.893 477 3HB ALA 78 HB1 ALA 78 -5.655 -12.273 3.873 478 H PHE 79 HN PHE 79 -8.528 -13.501 4.817 479 HA PHE 79 HA PHE 79 -7.900 -13.570 7.682 480 1HB PHE 79 HB2 PHE 79 -10.270 -13.875 7.001 481 2HB PHE 79 HB1 PHE 79 -9.803 -15.312 6.099 482 HD1 PHE 79 HD1 PHE 79 -10.693 -17.147 7.159 483 HD2 PHE 79 HD2 PHE 79 -8.858 -14.098 9.494 484 HE1 PHE 79 HE1 PHE 79 -10.999 -18.516 9.181 485 HE2 PHE 79 HE2 PHE 79 -9.161 -15.461 11.520 486 HZ PHE 79 HZ PHE 79 -10.232 -17.674 11.364 487 H GLU 80 HN GLU 80 -5.978 -14.481 8.047 488 HA GLU 80 HA GLU 80 -5.505 -17.160 6.982 489 1HB GLU 80 HB2 GLU 80 -4.180 -16.116 5.421 490 2HB GLU 80 HB1 GLU 80 -3.835 -14.749 6.463 491 1HG GLU 80 HG2 GLU 80 -1.821 -15.973 6.099 492 2HG GLU 80 HG1 GLU 80 -2.313 -16.189 7.778 493 H ASN 81 HN ASN 81 -4.240 -18.473 8.299 494 HA ASN 81 HA ASN 81 -3.328 -19.250 10.231 495 1HB ASN 81 HB2 ASN 81 -2.329 -16.540 10.003 496 2HB ASN 81 HB1 ASN 81 -2.532 -16.996 11.692 497 1HD2 ASN 81 1HD2 ASN 81 -1.135 -18.094 8.640 498 2HD2 ASN 81 2HD2 ASN 81 0.197 -18.934 9.348 499 H GLY 82 HN GLY 82 -6.144 -17.924 10.016 500 1HA GLY 82 HA1 GLY 82 -6.930 -18.598 12.683 501 2HA GLY 82 HA2 GLY 82 -7.979 -18.001 11.407 502 H ASN 83 HN ASN 83 -6.366 -15.586 10.962 503 HA ASN 83 HA ASN 83 -7.499 -14.017 13.132 504 1HB ASN 83 HB2 ASN 83 -4.605 -13.568 12.440 505 2HB ASN 83 HB1 ASN 83 -5.510 -12.959 13.823 506 1HD2 ASN 83 1HD2 ASN 83 -3.643 -15.522 12.545 507 2HD2 ASN 83 2HD2 ASN 83 -3.642 -16.525 13.952 508 H TRP 84 HN TRP 84 -7.686 -11.773 12.655 509 HA TRP 84 HA TRP 84 -8.085 -11.246 9.860 510 1HB TRP 84 HB2 TRP 84 -8.451 -9.601 12.361 511 2HB TRP 84 HB1 TRP 84 -8.697 -8.923 10.754 512 HD1 TRP 84 HD1 TRP 84 -10.694 -10.198 13.412 513 HE1 TRP 84 HE1 TRP 84 -12.922 -11.189 12.589 514 HE3 TRP 84 HE3 TRP 84 -9.580 -10.688 8.446 515 HZ2 TRP 84 HZ2 TRP 84 -14.057 -12.064 10.156 516 HZ3 TRP 84 HZ3 TRP 84 -11.292 -11.611 6.938 517 HH2 TRP 84 HH2 TRP 84 -13.484 -12.284 7.778 518 H CYS 85 HN CYS 85 -5.952 -11.462 9.069 519 HA CYS 85 HA CYS 85 -3.986 -9.481 9.911 520 1HB CYS 85 HB2 CYS 85 -2.509 -10.735 8.287 521 2HB CYS 85 HB1 CYS 85 -3.085 -11.664 9.666 522 H GLY 86 HN GLY 86 -2.653 -8.514 8.006 523 1HA GLY 86 HA1 GLY 86 -3.182 -6.553 6.688 524 2HA GLY 86 HA2 GLY 86 -4.609 -7.394 6.105 525 H ILE 87 HN ILE 87 -3.736 -6.666 4.014 526 HA ILE 87 HA ILE 87 -2.252 -8.808 2.766 527 HB ILE 87 HB ILE 87 -4.001 -6.627 1.884 528 1HG1 ILE 87 2HG1 ILE 87 -4.846 -8.227 0.398 529 2HG1 ILE 87 1HG1 ILE 87 -3.340 -9.127 0.361 530 1HG2 ILE 87 2HG2 ILE 87 -1.960 -5.816 0.807 531 2HG2 ILE 87 1HG2 ILE 87 -1.710 -7.405 0.078 532 3HG2 ILE 87 3HG2 ILE 87 -3.110 -6.435 -0.375 533 1HD1 ILE 87 1HD1 ILE 87 -4.115 -9.296 2.996 534 2HD1 ILE 87 3HD1 ILE 87 -5.631 -9.389 2.102 535 3HD1 ILE 87 2HD1 ILE 87 -4.330 -10.528 1.755 536 H LYS 88 HN LYS 88 -0.172 -8.783 2.153 537 HA LYS 88 HA LYS 88 1.566 -6.738 3.061 538 1HB LYS 88 HB2 LYS 88 2.218 -8.770 0.926 539 2HB LYS 88 HB1 LYS 88 3.333 -7.967 2.020 540 1HG LYS 88 HG2 LYS 88 1.206 -9.633 3.230 541 2HG LYS 88 HG1 LYS 88 2.519 -10.456 2.386 542 1HD LYS 88 HD2 LYS 88 3.952 -8.718 3.834 543 2HD LYS 88 HD1 LYS 88 2.554 -8.892 4.897 544 1HE LYS 88 HE2 LYS 88 4.337 -10.486 5.449 545 2HE LYS 88 HE1 LYS 88 2.855 -11.296 4.947 546 1HZ LYS 88 HZ2 LYS 88 4.442 -10.865 2.677 547 2HZ LYS 88 HZ1 LYS 88 5.421 -11.561 3.868 548 3HZ LYS 88 HZ3 LYS 88 4.000 -12.338 3.381 549 H ASN 89 HN ASN 89 2.677 -5.152 1.872 550 HA ASN 89 HA ASN 89 1.347 -3.630 0.079 551 1HB ASN 89 HB2 ASN 89 3.351 -2.499 -0.360 552 2HB ASN 89 HB1 ASN 89 3.638 -3.236 1.208 553 1HD2 ASN 89 1HD2 ASN 89 4.893 -5.190 1.276 554 2HD2 ASN 89 2HD2 ASN 89 6.094 -5.475 0.067 555 H SER 90 HN SER 90 3.547 -6.262 -0.778 556 HA SER 90 HA SER 90 3.828 -6.330 -3.374 557 1HB SER 90 HB2 SER 90 4.542 -8.298 -2.489 558 2HB SER 90 HB1 SER 90 3.129 -8.467 -1.452 559 HG SER 90 HG SER 90 2.702 -9.959 -2.912 560 H CYS 91 HN CYS 91 0.632 -6.606 -1.941 561 HA CYS 91 HA CYS 91 -0.602 -7.330 -4.450 562 1HB CYS 91 HB2 CYS 91 -1.433 -8.099 -2.195 563 2HB CYS 91 HB1 CYS 91 -1.981 -6.448 -1.929 564 H LYS 92 HN LYS 92 0.777 -4.992 -4.776 565 HA LYS 92 HA LYS 92 -1.261 -2.878 -4.777 566 1HB LYS 92 HB2 LYS 92 1.675 -2.637 -5.400 567 2HB LYS 92 HB1 LYS 92 0.544 -1.314 -5.232 568 1HG LYS 92 HG2 LYS 92 0.900 -1.203 -3.058 569 2HG LYS 92 HG1 LYS 92 0.547 -2.915 -2.858 570 1HD LYS 92 HD2 LYS 92 3.196 -1.606 -3.444 571 2HD LYS 92 HD1 LYS 92 2.764 -2.636 -2.083 572 1HE LYS 92 HE2 LYS 92 3.867 -4.184 -3.295 573 2HE LYS 92 HE1 LYS 92 2.298 -4.349 -4.073 574 1HZ LYS 92 HZ1 LYS 92 3.573 -2.290 -5.395 575 2HZ LYS 92 HZ3 LYS 92 4.756 -3.477 -5.190 576 3HZ LYS 92 HZ2 LYS 92 3.309 -3.857 -5.972 577 H GLN 93 HN GLN 93 1.173 -4.386 -6.856 578 HA GLN 93 HA GLN 93 -0.564 -3.846 -9.162 579 1HB GLN 93 HB2 GLN 93 1.577 -3.467 -10.491 580 2HB GLN 93 HB1 GLN 93 1.095 -2.189 -9.386 581 1HG GLN 93 HG2 GLN 93 2.766 -3.941 -7.940 582 2HG GLN 93 HG1 GLN 93 3.543 -3.638 -9.493 583 1HE2 GLN 93 1HE2 GLN 93 1.647 -1.724 -7.176 584 2HE2 GLN 93 2HE2 GLN 93 2.764 -0.408 -7.092 585 H GLN 94 HN GLN 94 2.357 -5.159 -10.187 586 HA GLN 94 HA GLN 94 1.848 -7.896 -9.529 587 1HB GLN 94 HB2 GLN 94 1.196 -6.873 -12.289 588 2HB GLN 94 HB1 GLN 94 1.561 -8.563 -11.973 589 1HG GLN 94 HG2 GLN 94 -0.316 -8.288 -10.163 590 2HG GLN 94 HG1 GLN 94 -0.803 -6.946 -11.196 591 1HE2 GLN 94 1HE2 GLN 94 -0.823 -10.310 -10.744 592 2HE2 GLN 94 2HE2 GLN 94 -1.597 -10.746 -12.225 593 HA PRO 95 HA PRO 95 5.585 -7.610 -12.789 594 1HB PRO 95 HB2 PRO 95 6.347 -4.886 -12.860 595 2HB PRO 95 HB1 PRO 95 5.643 -5.826 -14.178 596 1HG PRO 95 HG2 PRO 95 4.319 -3.986 -12.242 597 2HG PRO 95 HG1 PRO 95 3.943 -4.284 -13.950 598 1HD PRO 95 HD2 PRO 95 2.405 -5.290 -12.040 599 2HD PRO 95 HD1 PRO 95 2.802 -6.261 -13.473 600 H GLN 96 HN GLN 96 5.048 -5.601 -9.969 601 HA GLN 96 HA GLN 96 6.356 -5.038 -8.187 602 1HB GLN 96 HB2 GLN 96 7.398 -6.895 -7.079 603 2HB GLN 96 HB1 GLN 96 5.921 -7.470 -7.840 604 1HG GLN 96 HG2 GLN 96 7.113 -8.570 -9.550 605 2HG GLN 96 HG1 GLN 96 8.617 -7.754 -9.127 606 1HE2 GLN 96 1HE2 GLN 96 6.227 -9.354 -7.071 607 2HE2 GLN 96 2HE2 GLN 96 7.314 -10.528 -6.417 608 H ASN 97 HN ASN 97 7.460 -4.362 -10.809 609 HA ASN 97 HA ASN 97 9.337 -3.364 -11.622 610 1HB ASN 97 HB2 ASN 97 9.543 -2.651 -9.162 611 2HB ASN 97 HB1 ASN 97 10.731 -3.942 -9.013 612 1HD2 ASN 97 1HD2 ASN 97 9.962 -0.968 -10.718 613 2HD2 ASN 97 2HD2 ASN 97 11.594 -0.546 -11.097 614 H ASN 98 HN ASN 98 10.658 -5.873 -9.454 615 HA ASN 98 HA ASN 98 12.491 -6.762 -11.479 616 1HB ASN 98 HB2 ASN 98 11.906 -7.503 -8.647 617 2HB ASN 98 HB1 ASN 98 12.772 -8.663 -9.649 618 1HD2 ASN 98 1HD2 ASN 98 12.845 -5.127 -9.358 619 2HD2 ASN 98 2HD2 ASN 98 14.547 -5.015 -9.086 620 H ASN 99 HN ASN 99 12.160 -8.267 -12.974 621 HA ASN 99 HA ASN 99 9.725 -9.894 -12.798 622 1HB ASN 99 HB2 ASN 99 11.329 -8.783 -15.040 623 2HB ASN 99 HB1 ASN 99 10.546 -10.336 -15.310 624 1HD2 ASN 99 1HD2 ASN 99 10.059 -7.657 -16.455 625 2HD2 ASN 99 2HD2 ASN 99 8.385 -7.338 -16.175 626 H GLN 100 HN GLN 100 9.782 -12.133 -13.295 627 HA GLN 100 HA GLN 100 10.587 -14.252 -13.118 628 1HB GLN 100 HB2 GLN 100 11.962 -13.314 -15.094 629 2HB GLN 100 HB1 GLN 100 13.290 -13.225 -13.945 630 1HG GLN 100 HG2 GLN 100 11.757 -15.741 -14.546 631 2HG GLN 100 HG1 GLN 100 13.254 -15.279 -15.354 632 1HE2 GLN 100 1HE2 GLN 100 11.874 -16.807 -12.684 633 2HE2 GLN 100 2HE2 GLN 100 13.317 -17.070 -11.772 No H/Q in entry = 633 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 4.687 4.382 -4.850 2 H2 ALA 1 HT3 ALA 1 6.283 3.801 -5.076 3 H3 ALA 1 HT2 ALA 1 5.988 5.098 -3.991 4 HA ALA 1 HA ALA 1 6.870 6.049 -5.871 5 1HB ALA 1 HB3 ALA 1 4.973 4.257 -7.366 6 2HB ALA 1 HB1 ALA 1 6.735 4.289 -7.442 7 3HB ALA 1 HB2 ALA 1 5.799 5.621 -8.119 8 H MET 2 HN MET 2 3.516 5.570 -6.900 9 HA MET 2 HA MET 2 2.454 7.781 -5.483 10 1HB MET 2 HB2 MET 2 4.008 8.559 -7.624 11 2HB MET 2 HB1 MET 2 2.381 8.580 -8.288 12 1HG MET 2 HG2 MET 2 1.836 10.421 -7.176 13 2HG MET 2 HG1 MET 2 2.513 9.808 -5.667 14 1HE MET 2 HE1 MET 2 4.139 10.583 -4.561 15 2HE MET 2 HE3 MET 2 5.564 11.498 -5.051 16 3HE MET 2 HE2 MET 2 4.019 12.321 -4.838 17 H ALA 3 HN ALA 3 0.695 6.549 -5.089 18 HA ALA 3 HA ALA 3 -1.270 6.347 -7.188 19 1HB ALA 3 HB1 ALA 3 -1.073 3.751 -5.881 20 2HB ALA 3 HB2 ALA 3 0.358 4.148 -6.833 21 3HB ALA 3 HB3 ALA 3 -1.234 4.147 -7.594 22 H CYS 4 HN CYS 4 -0.920 7.718 -4.671 23 HA CYS 4 HA CYS 4 -2.540 6.469 -2.680 24 1HB CYS 4 HB2 CYS 4 -2.382 8.653 -1.531 25 2HB CYS 4 HB1 CYS 4 -0.808 8.055 -2.045 26 H TRP 5 HN TRP 5 -4.681 6.411 -2.564 27 HA TRP 5 HA TRP 5 -6.409 7.347 -4.509 28 1HB TRP 5 HB2 TRP 5 -8.198 7.070 -2.727 29 2HB TRP 5 HB1 TRP 5 -7.183 5.661 -3.019 30 HD1 TRP 5 HD1 TRP 5 -5.549 4.912 -1.073 31 HE1 TRP 5 HE1 TRP 5 -5.412 5.505 1.433 32 HE3 TRP 5 HE3 TRP 5 -8.580 8.980 -1.092 33 HZ2 TRP 5 HZ2 TRP 5 -6.486 7.474 3.169 34 HZ3 TRP 5 HZ3 TRP 5 -8.993 10.177 1.017 35 HH2 TRP 5 HH2 TRP 5 -7.963 9.439 3.104 36 H ALA 6 HN ALA 6 -5.000 9.033 -1.830 37 HA ALA 6 HA ALA 6 -6.812 11.127 -1.487 38 1HB ALA 6 HB3 ALA 6 -3.903 11.699 -1.276 39 2HB ALA 6 HB1 ALA 6 -4.589 10.461 -0.224 40 3HB ALA 6 HB2 ALA 6 -5.222 12.107 -0.178 41 H GLN 7 HN GLN 7 -3.975 10.922 -3.648 42 HA GLN 7 HA GLN 7 -4.187 13.478 -4.754 43 1HB GLN 7 HB2 GLN 7 -2.812 12.666 -6.580 44 2HB GLN 7 HB1 GLN 7 -2.219 12.035 -5.051 45 1HG GLN 7 HG2 GLN 7 -2.609 9.914 -5.632 46 2HG GLN 7 HG1 GLN 7 -4.137 10.299 -6.421 47 1HE2 GLN 7 1HE2 GLN 7 -4.076 9.662 -8.446 48 2HE2 GLN 7 2HE2 GLN 7 -2.745 9.838 -9.534 49 H SER 8 HN SER 8 -6.142 10.694 -5.240 50 HA SER 8 HA SER 8 -7.148 11.247 -7.809 51 1HB SER 8 HB2 SER 8 -8.703 9.982 -5.544 52 2HB SER 8 HB1 SER 8 -8.934 9.738 -7.276 53 HG SER 8 HG SER 8 -6.940 8.687 -7.349 54 H GLN 9 HN GLN 9 -7.602 12.787 -4.779 55 HA GLN 9 HA GLN 9 -9.924 14.273 -5.798 56 1HB GLN 9 HB2 GLN 9 -8.968 14.251 -2.943 57 2HB GLN 9 HB1 GLN 9 -10.538 14.750 -3.558 58 1HG GLN 9 HG2 GLN 9 -10.387 12.140 -4.370 59 2HG GLN 9 HG1 GLN 9 -9.568 12.108 -2.809 60 1HE2 GLN 9 1HE2 GLN 9 -10.843 11.691 -1.169 61 2HE2 GLN 9 2HE2 GLN 9 -12.520 12.085 -1.045 62 H GLY 10 HN GLY 10 -6.653 14.552 -4.586 63 1HA GLY 10 HA1 GLY 10 -6.784 17.469 -4.652 64 2HA GLY 10 HA2 GLY 10 -5.757 16.697 -5.849 65 H TYR 11 HN TYR 11 -6.031 15.183 -2.753 66 HA TYR 11 HA TYR 11 -3.886 16.569 -1.484 67 1HB TYR 11 HB2 TYR 11 -5.277 13.958 -0.915 68 2HB TYR 11 HB1 TYR 11 -3.922 14.522 0.057 69 HD1 TYR 11 HD1 TYR 11 -4.166 16.431 1.546 70 HD2 TYR 11 HD2 TYR 11 -7.429 15.080 -0.828 71 HE1 TYR 11 HE1 TYR 11 -5.708 17.774 2.910 72 HE2 TYR 11 HE2 TYR 11 -8.978 16.422 0.528 73 HH TYR 11 HH TYR 11 -8.740 18.578 2.006 74 H ASN 12 HN ASN 12 -1.738 16.023 -1.260 75 HA ASN 12 HA ASN 12 -0.623 14.428 -3.383 76 1HB ASN 12 HB2 ASN 12 0.371 16.588 -2.524 77 2HB ASN 12 HB1 ASN 12 0.850 15.706 -1.077 78 1HD2 ASN 12 1HD2 ASN 12 2.950 16.604 -1.969 79 2HD2 ASN 12 2HD2 ASN 12 3.837 15.566 -3.027 80 H CYS 13 HN CYS 13 0.933 12.691 -3.026 81 HA CYS 13 HA CYS 13 -0.062 10.769 -1.185 82 1HB CYS 13 HB2 CYS 13 2.409 10.738 -2.923 83 2HB CYS 13 HB1 CYS 13 1.793 9.352 -2.030 84 H CYS 14 HN CYS 14 0.719 10.046 0.686 85 HA CYS 14 HA CYS 14 2.705 11.703 2.026 86 1HB CYS 14 HB2 CYS 14 1.834 9.959 3.950 87 2HB CYS 14 HB1 CYS 14 1.127 11.538 3.634 88 H ASN 15 HN ASN 15 4.680 11.002 1.378 89 HA ASN 15 HA ASN 15 5.617 8.528 0.779 90 1HB ASN 15 HB2 ASN 15 7.021 10.488 0.609 91 2HB ASN 15 HB1 ASN 15 6.999 10.710 2.355 92 1HD2 ASN 15 1HD2 ASN 15 9.022 10.436 2.954 93 2HD2 ASN 15 2HD2 ASN 15 10.003 9.059 2.592 94 H ASN 16 HN ASN 16 6.547 6.782 1.914 95 HA ASN 16 HA ASN 16 6.394 5.146 3.500 96 1HB ASN 16 HB2 ASN 16 7.474 5.658 5.587 97 2HB ASN 16 HB1 ASN 16 8.299 6.542 4.307 98 1HD2 ASN 16 1HD2 ASN 16 7.905 8.801 4.123 99 2HD2 ASN 16 2HD2 ASN 16 7.415 9.719 5.499 100 HA PRO 17 HA PRO 17 2.219 6.773 5.051 101 1HB PRO 17 HB2 PRO 17 0.713 4.969 3.652 102 2HB PRO 17 HB1 PRO 17 1.113 6.584 3.056 103 1HG PRO 17 HG2 PRO 17 2.394 3.955 2.419 104 2HG PRO 17 HG1 PRO 17 1.991 5.299 1.333 105 1HD PRO 17 HD2 PRO 17 4.500 4.883 2.226 106 2HD PRO 17 HD1 PRO 17 3.860 6.514 1.936 107 H SER 18 HN SER 18 3.985 3.847 4.876 108 HA SER 18 HA SER 18 2.240 2.212 6.433 109 1HB SER 18 HB2 SER 18 3.934 1.259 4.915 110 2HB SER 18 HB1 SER 18 5.211 1.933 5.928 111 HG SER 18 HG SER 18 4.595 -0.342 6.298 112 H SER 19 HN SER 19 4.119 4.865 7.247 113 HA SER 19 HA SER 19 3.959 4.152 10.075 114 1HB SER 19 HB2 SER 19 6.342 3.876 8.821 115 2HB SER 19 HB1 SER 19 6.439 5.571 9.300 116 HG SER 19 HG SER 19 5.907 4.846 11.454 117 H THR 20 HN THR 20 2.819 6.114 7.932 118 HA THR 20 HA THR 20 3.524 8.704 8.849 119 HB THR 20 HB THR 20 1.390 7.556 7.080 120 HG1 THR 20 HG1 THR 20 2.491 8.729 5.533 121 1HG2 THR 20 3HG2 THR 20 1.631 10.452 7.816 122 2HG2 THR 20 2HG2 THR 20 0.628 9.786 6.528 123 3HG2 THR 20 1HG2 THR 20 0.290 9.380 8.211 124 H LYS 21 HN LYS 21 2.287 10.134 10.113 125 HA LYS 21 HA LYS 21 0.672 8.807 12.136 126 1HB LYS 21 HB2 LYS 21 2.417 10.333 12.889 127 2HB LYS 21 HB1 LYS 21 1.702 11.643 11.961 128 1HG LYS 21 HG2 LYS 21 1.002 12.048 14.139 129 2HG LYS 21 HG1 LYS 21 -0.389 11.262 13.388 130 1HD LYS 21 HD2 LYS 21 -0.203 10.163 15.428 131 2HD LYS 21 HD1 LYS 21 0.634 9.080 14.315 132 1HE LYS 21 HE2 LYS 21 2.365 9.165 15.713 133 2HE LYS 21 HE1 LYS 21 2.610 10.823 15.167 134 1HZ LYS 21 HZ2 LYS 21 0.649 10.385 17.286 135 2HZ LYS 21 HZ1 LYS 21 2.280 10.218 17.699 136 3HZ LYS 21 HZ3 LYS 21 1.715 11.676 17.050 137 H VAL 22 HN VAL 22 -1.435 8.603 11.760 138 HA VAL 22 HA VAL 22 -2.844 10.498 10.099 139 HB VAL 22 HB VAL 22 -3.734 7.909 11.382 140 1HG1 VAL 22 1HG1 VAL 22 -5.423 9.884 10.744 141 2HG1 VAL 22 3HG1 VAL 22 -5.282 9.106 9.170 142 3HG1 VAL 22 2HG1 VAL 22 -5.826 8.179 10.568 143 1HG2 VAL 22 2HG2 VAL 22 -2.016 7.874 9.492 144 2HG2 VAL 22 1HG2 VAL 22 -3.458 6.874 9.307 145 3HG2 VAL 22 3HG2 VAL 22 -3.336 8.414 8.454 146 H GLU 23 HN GLU 23 -3.124 12.307 11.303 147 HA GLU 23 HA GLU 23 -4.134 12.105 14.021 148 1HB GLU 23 HB2 GLU 23 -4.152 14.796 12.938 149 2HB GLU 23 HB1 GLU 23 -3.264 14.156 14.313 150 1HG GLU 23 HG2 GLU 23 -1.565 13.284 12.693 151 2HG GLU 23 HG1 GLU 23 -2.414 14.170 11.427 152 H TYR 24 HN TYR 24 -5.353 12.006 10.951 153 HA TYR 24 HA TYR 24 -8.021 12.772 11.938 154 1HB TYR 24 HB2 TYR 24 -6.891 14.595 10.501 155 2HB TYR 24 HB1 TYR 24 -7.195 13.513 9.148 156 HD1 TYR 24 HD1 TYR 24 -8.509 16.145 11.078 157 HD2 TYR 24 HD2 TYR 24 -9.677 12.659 8.937 158 HE1 TYR 24 HE1 TYR 24 -10.797 17.028 10.899 159 HE2 TYR 24 HE2 TYR 24 -11.969 13.533 8.752 160 HH TYR 24 HH TYR 24 -13.431 15.109 9.820 161 H THR 25 HN THR 25 -9.746 11.630 11.099 162 HA THR 25 HA THR 25 -9.384 9.804 8.907 163 HB THR 25 HB THR 25 -9.964 8.650 11.640 164 HG1 THR 25 HG1 THR 25 -7.638 8.642 10.036 165 1HG2 THR 25 1HG2 THR 25 -10.792 7.622 9.295 166 2HG2 THR 25 3HG2 THR 25 -9.178 6.915 9.405 167 3HG2 THR 25 2HG2 THR 25 -10.347 6.650 10.700 168 H ASP 26 HN ASP 26 -11.158 10.133 7.789 169 HA ASP 26 HA ASP 26 -13.719 10.368 9.229 170 1HB ASP 26 HB2 ASP 26 -12.501 12.195 7.452 171 2HB ASP 26 HB1 ASP 26 -13.843 11.476 6.569 172 H ALA 27 HN ALA 27 -15.334 10.262 6.898 173 HA ALA 27 HA ALA 27 -15.503 7.442 6.550 174 1HB ALA 27 HB1 ALA 27 -17.412 7.896 5.153 175 2HB ALA 27 HB2 ALA 27 -16.950 9.592 5.011 176 3HB ALA 27 HB3 ALA 27 -17.468 8.947 6.568 177 H SER 28 HN SER 28 -13.486 9.673 5.121 178 HA SER 28 HA SER 28 -13.448 8.429 2.493 179 1HB SER 28 HB2 SER 28 -11.487 10.096 2.194 180 2HB SER 28 HB1 SER 28 -13.121 10.747 2.331 181 HG SER 28 HG SER 28 -11.732 11.888 3.688 182 H GLY 29 HN GLY 29 -11.732 8.358 5.506 183 1HA GLY 29 HA1 GLY 29 -9.534 6.820 4.332 184 2HA GLY 29 HA2 GLY 29 -10.557 6.021 5.515 185 H GLN 30 HN GLN 30 -7.645 7.136 5.327 186 HA GLN 30 HA GLN 30 -7.685 8.451 7.966 187 1HB GLN 30 HB2 GLN 30 -5.267 6.953 7.106 188 2HB GLN 30 HB1 GLN 30 -5.947 7.157 8.712 189 1HG GLN 30 HG2 GLN 30 -6.234 4.906 8.255 190 2HG GLN 30 HG1 GLN 30 -7.815 5.612 7.924 191 1HE2 GLN 30 1HE2 GLN 30 -4.862 4.415 6.463 192 2HE2 GLN 30 2HE2 GLN 30 -5.550 4.043 4.922 193 H TRP 31 HN TRP 31 -6.531 10.308 8.197 194 HA TRP 31 HA TRP 31 -4.795 11.106 5.961 195 1HB TRP 31 HB2 TRP 31 -6.599 13.019 7.441 196 2HB TRP 31 HB1 TRP 31 -5.650 13.341 5.996 197 HD1 TRP 31 HD1 TRP 31 -8.752 11.312 7.094 198 HE1 TRP 31 HE1 TRP 31 -10.291 11.044 5.049 199 HE3 TRP 31 HE3 TRP 31 -5.755 13.437 3.541 200 HZ2 TRP 31 HZ2 TRP 31 -10.242 11.656 2.292 201 HZ3 TRP 31 HZ3 TRP 31 -6.575 13.556 1.225 202 HH2 TRP 31 HH2 TRP 31 -8.770 12.684 0.614 203 H GLY 32 HN GLY 32 -3.109 12.570 6.477 204 1HA GLY 32 HA1 GLY 32 -1.482 12.051 8.532 205 2HA GLY 32 HA2 GLY 32 -2.599 13.195 9.265 206 H VAL 33 HN VAL 33 0.198 13.623 8.932 207 HA VAL 33 HA VAL 33 0.460 15.456 6.693 208 HB VAL 33 HB VAL 33 0.728 16.446 9.534 209 1HG1 VAL 33 1HG1 VAL 33 2.382 17.396 7.950 210 2HG1 VAL 33 3HG1 VAL 33 1.047 17.955 6.941 211 3HG1 VAL 33 2HG1 VAL 33 1.249 18.597 8.572 212 1HG2 VAL 33 1HG2 VAL 33 -1.346 16.933 7.411 213 2HG2 VAL 33 3HG2 VAL 33 -1.581 16.327 9.051 214 3HG2 VAL 33 2HG2 VAL 33 -1.120 18.009 8.790 215 H GLN 34 HN GLN 34 2.241 14.491 5.878 216 HA GLN 34 HA GLN 34 4.562 14.247 7.680 217 1HB GLN 34 HB2 GLN 34 3.487 12.184 6.333 218 2HB GLN 34 HB1 GLN 34 4.584 12.787 5.095 219 1HG GLN 34 HG2 GLN 34 6.390 12.040 6.159 220 2HG GLN 34 HG1 GLN 34 5.807 12.581 7.732 221 1HE2 GLN 34 1HE2 GLN 34 5.447 10.055 5.309 222 2HE2 GLN 34 2HE2 GLN 34 5.026 8.793 6.415 223 H ASN 35 HN ASN 35 6.122 15.646 7.342 224 HA ASN 35 HA ASN 35 7.611 17.006 6.307 225 1HB ASN 35 HB2 ASN 35 8.345 16.226 4.341 226 2HB ASN 35 HB1 ASN 35 6.961 15.143 4.312 227 1HD2 ASN 35 1HD2 ASN 35 5.248 15.590 2.966 228 2HD2 ASN 35 2HD2 ASN 35 5.308 16.808 1.743 229 H GLY 36 HN GLY 36 4.667 17.604 6.879 230 1HA GLY 36 HA1 GLY 36 4.794 20.336 5.960 231 2HA GLY 36 HA2 GLY 36 3.580 19.646 7.026 232 H GLN 37 HN GLN 37 2.716 17.534 5.350 233 HA GLN 37 HA GLN 37 1.084 19.082 3.507 234 1HB GLN 37 HB2 GLN 37 2.636 16.679 2.540 235 2HB GLN 37 HB1 GLN 37 1.542 17.675 1.591 236 1HG GLN 37 HG2 GLN 37 3.134 19.606 2.166 237 2HG GLN 37 HG1 GLN 37 4.271 18.338 2.622 238 1HE2 GLN 37 1HE2 GLN 37 2.241 19.482 -0.029 239 2HE2 GLN 37 2HE2 GLN 37 3.255 18.896 -1.298 240 H TRP 38 HN TRP 38 -0.957 18.368 3.439 241 HA TRP 38 HA TRP 38 -1.745 16.184 5.112 242 1HB TRP 38 HB2 TRP 38 -3.237 18.072 3.299 243 2HB TRP 38 HB1 TRP 38 -4.049 16.725 4.091 244 HD1 TRP 38 HD1 TRP 38 -3.049 20.248 4.648 245 HE1 TRP 38 HE1 TRP 38 -3.473 20.924 7.097 246 HE3 TRP 38 HE3 TRP 38 -3.884 15.615 6.633 247 HZ2 TRP 38 HZ2 TRP 38 -4.082 19.656 9.546 248 HZ3 TRP 38 HZ3 TRP 38 -4.380 15.430 9.035 249 HH2 TRP 38 HH2 TRP 38 -4.476 17.410 10.461 250 H CYS 39 HN CYS 39 -2.588 14.193 4.525 251 HA CYS 39 HA CYS 39 -2.980 13.469 1.768 252 1HB CYS 39 HB2 CYS 39 -0.630 13.313 1.664 253 2HB CYS 39 HB1 CYS 39 -0.539 12.526 3.236 254 H GLY 40 HN GLY 40 -3.824 11.386 1.468 255 1HA GLY 40 HA1 GLY 40 -5.457 9.843 2.173 256 2HA GLY 40 HA2 GLY 40 -5.095 10.265 3.846 257 H ILE 41 HN ILE 41 -3.962 8.773 4.955 258 HA ILE 41 HA ILE 41 -1.632 7.574 4.059 259 HB ILE 41 HB ILE 41 -3.475 6.993 6.331 260 1HG1 ILE 41 2HG1 ILE 41 -1.458 7.536 7.621 261 2HG1 ILE 41 1HG1 ILE 41 -0.532 7.656 6.129 262 1HG2 ILE 41 2HG2 ILE 41 -1.172 5.244 5.492 263 2HG2 ILE 41 1HG2 ILE 41 -1.898 5.222 7.099 264 3HG2 ILE 41 3HG2 ILE 41 -2.859 4.768 5.691 265 1HD1 ILE 41 1HD1 ILE 41 -2.940 9.362 6.493 266 2HD1 ILE 41 3HD1 ILE 41 -1.432 9.791 7.295 267 3HD1 ILE 41 2HD1 ILE 41 -1.485 9.649 5.537 268 H ASP 42 HN ASP 42 -1.184 6.028 2.723 269 HA ASP 42 HA ASP 42 -3.080 3.840 2.296 270 1HB ASP 42 HB2 ASP 42 -2.919 5.821 0.441 271 2HB ASP 42 HB1 ASP 42 -1.648 4.738 -0.129 272 H TYR 43 HN TYR 43 -2.000 2.084 2.881 273 HA TYR 43 HA TYR 43 0.874 1.989 2.798 274 1HB TYR 43 HB2 TYR 43 -0.919 -0.370 3.329 275 2HB TYR 43 HB1 TYR 43 0.713 -0.078 3.922 276 HD1 TYR 43 HD1 TYR 43 0.374 2.757 4.857 277 HD2 TYR 43 HD2 TYR 43 -2.107 -0.667 5.338 278 HE1 TYR 43 HE1 TYR 43 -0.549 3.724 6.923 279 HE2 TYR 43 HE2 TYR 43 -3.035 0.290 7.405 280 HH TYR 43 HH TYR 43 -2.310 1.954 9.152 281 H SER 44 HN SER 44 -1.265 1.791 0.383 282 HA SER 44 HA SER 44 0.502 0.116 -1.210 283 1HB SER 44 HB2 SER 44 -2.393 -0.393 -0.703 284 2HB SER 44 HB1 SER 44 -1.763 -0.712 -2.320 285 HG SER 44 HG SER 44 -1.465 -2.151 -0.052 286 H TYR 45 HN TYR 45 0.605 2.795 -1.306 287 HA TYR 45 HA TYR 45 -1.163 3.779 -3.369 288 1HB TYR 45 HB2 TYR 45 -0.451 5.888 -2.823 289 2HB TYR 45 HB1 TYR 45 -0.085 5.064 -1.315 290 HD1 TYR 45 HD1 TYR 45 1.148 7.652 -2.626 291 HD2 TYR 45 HD2 TYR 45 2.381 3.594 -2.358 292 HE1 TYR 45 HE1 TYR 45 3.494 8.362 -2.813 293 HE2 TYR 45 HE2 TYR 45 4.721 4.280 -2.557 294 HH TYR 45 HH TYR 45 5.679 7.305 -3.581 295 H GLY 46 HN GLY 46 0.599 1.562 -4.072 296 1HA GLY 46 HA1 GLY 46 1.673 2.708 -6.501 297 2HA GLY 46 HA2 GLY 46 1.552 0.999 -6.117 298 H GLN 47 HN GLN 47 3.097 0.170 -4.481 299 HA GLN 47 HA GLN 47 5.661 1.611 -4.671 300 1HB GLN 47 HB2 GLN 47 4.691 -0.215 -2.463 301 2HB GLN 47 HB1 GLN 47 6.290 0.511 -2.544 302 1HG GLN 47 HG2 GLN 47 5.563 2.520 -1.851 303 2HG GLN 47 HG1 GLN 47 4.038 2.391 -2.729 304 1HE2 GLN 47 1HE2 GLN 47 4.438 3.325 -0.047 305 2HE2 GLN 47 2HE2 GLN 47 3.542 2.278 0.993 306 H ASN 48 HN ASN 48 7.583 0.170 -4.558 307 HA ASN 48 HA ASN 48 7.103 -2.241 -6.161 308 1HB ASN 48 HB2 ASN 48 9.656 -0.656 -5.800 309 2HB ASN 48 HB1 ASN 48 9.436 -2.028 -6.881 310 1HD2 ASN 48 1HD2 ASN 48 7.017 -1.503 -8.006 311 2HD2 ASN 48 2HD2 ASN 48 7.101 -0.051 -8.937 312 H GLN 49 HN GLN 49 9.059 -3.878 -5.820 313 HA GLN 49 HA GLN 49 8.931 -4.589 -3.009 314 1HB GLN 49 HB2 GLN 49 8.985 -6.726 -3.692 315 2HB GLN 49 HB1 GLN 49 8.772 -6.098 -5.321 316 1HG GLN 49 HG2 GLN 49 11.381 -5.966 -5.295 317 2HG GLN 49 HG1 GLN 49 11.227 -7.134 -3.982 318 1HE2 GLN 49 1HE2 GLN 49 10.905 -9.207 -4.467 319 2HE2 GLN 49 2HE2 GLN 49 10.610 -9.824 -6.054 320 H GLY 50 HN GLY 50 10.621 -2.353 -3.965 321 1HA GLY 50 HA1 GLY 50 12.920 -1.775 -4.069 322 2HA GLY 50 HA2 GLY 50 13.321 -3.368 -3.445 323 H ASN 51 HN ASN 51 11.259 -3.144 -1.324 324 HA ASN 51 HA ASN 51 11.277 -2.662 0.904 325 1HB ASN 51 HB2 ASN 51 13.914 -2.714 0.340 326 2HB ASN 51 HB1 ASN 51 13.750 -1.028 0.823 327 1HD2 ASN 51 1HD2 ASN 51 12.357 -4.101 1.932 328 2HD2 ASN 51 2HD2 ASN 51 12.769 -3.881 3.595 329 H GLU 52 HN GLU 52 9.631 -1.170 -0.456 330 HA GLU 52 HA GLU 52 10.187 1.653 -0.020 331 1HB GLU 52 HB2 GLU 52 7.984 0.142 -1.395 332 2HB GLU 52 HB1 GLU 52 7.812 1.852 -1.022 333 1HG GLU 52 HG2 GLU 52 10.336 1.296 -2.311 334 2HG GLU 52 HG1 GLU 52 8.971 0.743 -3.280 335 H SER 53 HN SER 53 8.374 -0.945 1.387 336 HA SER 53 HA SER 53 7.800 0.629 3.720 337 1HB SER 53 HB2 SER 53 5.420 0.547 3.663 338 2HB SER 53 HB1 SER 53 5.920 1.164 2.088 339 HG SER 53 HG SER 53 4.421 -0.415 1.711 340 H CYS 54 HN CYS 54 5.864 -0.983 4.889 341 HA CYS 54 HA CYS 54 7.038 -3.673 4.814 342 1HB CYS 54 HB2 CYS 54 7.248 -3.804 7.164 343 2HB CYS 54 HB1 CYS 54 7.904 -2.227 6.742 344 H THR 55 HN THR 55 5.655 -5.356 5.741 345 HA THR 55 HA THR 55 2.851 -4.805 5.136 346 HB THR 55 HB THR 55 4.318 -7.392 5.701 347 HG1 THR 55 HG1 THR 55 3.072 -6.480 3.328 348 1HG2 THR 55 2HG2 THR 55 1.420 -7.016 4.969 349 2HG2 THR 55 1HG2 THR 55 2.285 -8.557 4.962 350 3HG2 THR 55 3HG2 THR 55 2.049 -7.682 6.476 351 H GLY 56 HN GLY 56 1.174 -5.683 6.602 352 1HA GLY 56 HA1 GLY 56 1.864 -6.159 9.343 353 2HA GLY 56 HA2 GLY 56 0.242 -5.998 8.687 354 H ASN 57 HN ASN 57 1.380 -3.346 7.487 355 HA ASN 57 HA ASN 57 1.661 -1.709 9.838 356 1HB ASN 57 HB2 ASN 57 1.453 0.177 8.064 357 2HB ASN 57 HB1 ASN 57 2.887 -0.839 8.072 358 1HD2 ASN 57 1HD2 ASN 57 -0.225 -1.923 6.861 359 2HD2 ASN 57 2HD2 ASN 57 0.241 -1.992 5.204 360 H GLY 58 HN GLY 58 -0.958 -3.210 8.676 361 1HA GLY 58 HA1 GLY 58 -3.213 -2.561 8.392 362 2HA GLY 58 HA2 GLY 58 -2.794 -0.949 8.950 363 H SER 59 HN SER 59 -1.281 -2.915 11.068 364 HA SER 59 HA SER 59 -3.257 -2.456 13.093 365 1HB SER 59 HB2 SER 59 -4.191 -4.499 12.206 366 2HB SER 59 HB1 SER 59 -2.614 -5.288 12.251 367 HG SER 59 HG SER 59 -2.807 -5.588 14.345 368 H TYR 60 HN TYR 60 -0.487 -4.630 12.497 369 HA TYR 60 HA TYR 60 0.674 -3.723 15.039 370 1HB TYR 60 HB2 TYR 60 2.073 -5.931 13.764 371 2HB TYR 60 HB1 TYR 60 1.370 -5.832 15.374 372 HD1 TYR 60 HD1 TYR 60 0.742 -6.744 11.871 373 HD2 TYR 60 HD2 TYR 60 -0.804 -6.749 15.833 374 HE1 TYR 60 HE1 TYR 60 -1.020 -8.310 11.174 375 HE2 TYR 60 HE2 TYR 60 -2.573 -8.314 15.147 376 HH TYR 60 HH TYR 60 -2.498 -10.034 12.283 377 HA PRO 61 HA PRO 61 4.204 -1.996 12.958 378 1HB PRO 61 HB2 PRO 61 6.317 -2.667 14.406 379 2HB PRO 61 HB1 PRO 61 4.974 -1.795 15.158 380 1HG PRO 61 HG2 PRO 61 5.629 -4.719 15.264 381 2HG PRO 61 HG1 PRO 61 5.100 -3.643 16.572 382 1HD PRO 61 HD2 PRO 61 3.444 -5.341 15.139 383 2HD PRO 61 HD1 PRO 61 2.897 -3.921 16.051 384 H CYS 62 HN CYS 62 6.454 -2.383 12.012 385 HA CYS 62 HA CYS 62 6.355 -4.678 10.288 386 1HB CYS 62 HB2 CYS 62 8.781 -2.931 10.484 387 2HB CYS 62 HB1 CYS 62 8.060 -3.679 9.067 388 H CYS 63 HN CYS 63 8.507 -5.963 10.005 389 HA CYS 63 HA CYS 63 9.334 -6.800 12.701 390 1HB CYS 63 HB2 CYS 63 8.408 -8.269 10.465 391 2HB CYS 63 HB1 CYS 63 10.103 -8.687 10.681 392 H ASN 64 HN ASN 64 10.500 -5.878 9.556 393 HA ASN 64 HA ASN 64 12.484 -4.699 9.158 394 1HB ASN 64 HB2 ASN 64 13.063 -4.528 11.551 395 2HB ASN 64 HB1 ASN 64 13.628 -6.195 11.528 396 1HD2 ASN 64 1HD2 ASN 64 15.587 -6.674 10.727 397 2HD2 ASN 64 2HD2 ASN 64 16.728 -5.492 10.191 398 H THR 65 HN THR 65 11.757 -7.968 9.393 399 HA THR 65 HA THR 65 14.003 -8.693 7.644 400 HB THR 65 HB THR 65 13.590 -9.862 9.921 401 HG1 THR 65 HG1 THR 65 13.992 -11.202 7.469 402 1HG2 THR 65 2HG2 THR 65 11.175 -10.290 9.565 403 2HG2 THR 65 1HG2 THR 65 11.606 -11.415 8.279 404 3HG2 THR 65 3HG2 THR 65 12.112 -11.736 9.937 405 H CYS 66 HN CYS 66 13.587 -9.512 5.642 406 HA CYS 66 HA CYS 66 10.844 -9.332 4.702 407 1HB CYS 66 HB2 CYS 66 11.710 -9.049 2.602 408 2HB CYS 66 HB1 CYS 66 13.131 -8.579 3.522 409 H GLN 67 HN GLN 67 12.359 -11.564 6.354 410 HA GLN 67 HA GLN 67 11.667 -13.912 4.788 411 1HB GLN 67 HB2 GLN 67 13.682 -14.306 5.863 412 2HB GLN 67 HB1 GLN 67 13.232 -13.364 7.273 413 1HG GLN 67 HG2 GLN 67 11.562 -15.702 7.033 414 2HG GLN 67 HG1 GLN 67 13.269 -16.135 7.024 415 1HE2 GLN 67 1HE2 GLN 67 11.860 -13.359 8.666 416 2HE2 GLN 67 2HE2 GLN 67 12.215 -13.896 10.268 417 H ALA 68 HN ALA 68 9.487 -14.157 4.768 418 HA ALA 68 HA ALA 68 7.968 -13.728 7.194 419 1HB ALA 68 HB3 ALA 68 7.382 -13.800 4.373 420 2HB ALA 68 HB2 ALA 68 6.234 -14.767 5.303 421 3HB ALA 68 HB1 ALA 68 6.484 -13.065 5.702 422 H THR 69 HN THR 69 7.257 -15.198 8.501 423 HA THR 69 HA THR 69 7.913 -17.999 7.982 424 HB THR 69 HB THR 69 8.628 -17.834 10.106 425 HG1 THR 69 HG1 THR 69 6.725 -18.934 10.570 426 1HG2 THR 69 1HG2 THR 69 8.537 -15.361 9.962 427 2HG2 THR 69 3HG2 THR 69 6.891 -15.431 10.604 428 3HG2 THR 69 2HG2 THR 69 8.246 -15.997 11.585 429 H TYR 70 HN TYR 70 5.274 -15.852 8.012 430 HA TYR 70 HA TYR 70 3.447 -18.002 7.411 431 1HB TYR 70 HB2 TYR 70 2.088 -17.890 9.237 432 2HB TYR 70 HB1 TYR 70 3.566 -17.350 10.022 433 HD1 TYR 70 HD1 TYR 70 0.687 -15.880 8.123 434 HD2 TYR 70 HD2 TYR 70 3.428 -15.479 11.353 435 HE1 TYR 70 HE1 TYR 70 -0.446 -13.819 8.820 436 HE2 TYR 70 HE2 TYR 70 2.302 -13.408 12.056 437 HH TYR 70 HH TYR 70 -0.543 -12.549 11.403 438 H THR 71 HN THR 71 1.918 -17.357 5.965 439 HA THR 71 HA THR 71 1.799 -14.471 5.381 440 HB THR 71 HB THR 71 1.514 -16.819 3.504 441 HG1 THR 71 HG1 THR 71 3.363 -15.931 2.570 442 1HG2 THR 71 3HG2 THR 71 -0.027 -14.882 2.985 443 2HG2 THR 71 2HG2 THR 71 1.432 -13.928 2.711 444 3HG2 THR 71 1HG2 THR 71 1.109 -15.350 1.718 445 H ASP 72 HN ASP 72 -0.150 -13.497 5.151 446 HA ASP 72 HA ASP 72 -2.514 -15.169 5.668 447 1HB ASP 72 HB2 ASP 72 -1.522 -13.173 7.297 448 2HB ASP 72 HB1 ASP 72 -2.784 -12.344 6.391 449 H GLY 73 HN GLY 73 -4.467 -13.259 5.278 450 1HA GLY 73 HA1 GLY 73 -5.812 -12.624 3.516 451 2HA GLY 73 HA2 GLY 73 -4.583 -13.219 2.415 452 H ASP 74 HN ASP 74 -2.790 -11.251 4.239 453 HA ASP 74 HA ASP 74 -3.377 -8.939 2.509 454 1HB ASP 74 HB2 ASP 74 -2.327 -8.664 5.320 455 2HB ASP 74 HB1 ASP 74 -2.977 -7.407 4.274 456 H GLY 75 HN GLY 75 -1.277 -11.318 2.940 457 1HA GLY 75 HA1 GLY 75 1.103 -9.617 2.569 458 2HA GLY 75 HA2 GLY 75 0.748 -10.945 1.472 459 H ASP 76 HN ASP 76 3.153 -10.854 2.780 460 HA ASP 76 HA ASP 76 2.988 -13.295 4.338 461 1HB ASP 76 HB2 ASP 76 5.603 -11.935 3.926 462 2HB ASP 76 HB1 ASP 76 5.188 -13.641 3.820 463 H TRP 77 HN TRP 77 4.228 -13.504 6.367 464 HA TRP 77 HA TRP 77 4.486 -11.034 7.900 465 1HB TRP 77 HB2 TRP 77 2.852 -13.379 8.867 466 2HB TRP 77 HB1 TRP 77 3.131 -11.870 9.728 467 HD1 TRP 77 HD1 TRP 77 1.231 -13.215 6.641 468 HE1 TRP 77 HE1 TRP 77 -0.701 -11.608 6.128 469 HE3 TRP 77 HE3 TRP 77 2.295 -9.555 10.049 470 HZ2 TRP 77 HZ2 TRP 77 -1.653 -9.129 7.039 471 HZ3 TRP 77 HZ3 TRP 77 0.813 -7.597 10.158 472 HH2 TRP 77 HH2 TRP 77 -1.121 -7.389 8.685 473 H ALA 78 HN ALA 78 5.650 -11.207 9.853 474 HA ALA 78 HA ALA 78 7.227 -13.651 10.153 475 1HB ALA 78 HB1 ALA 78 9.149 -11.923 10.715 476 2HB ALA 78 HB2 ALA 78 8.228 -10.914 9.600 477 3HB ALA 78 HB3 ALA 78 8.847 -12.478 9.069 478 H PHE 79 HN PHE 79 8.532 -13.558 12.260 479 HA PHE 79 HA PHE 79 7.053 -12.093 14.335 480 1HB PHE 79 HB2 PHE 79 6.219 -14.411 14.263 481 2HB PHE 79 HB1 PHE 79 7.861 -15.006 14.489 482 HD1 PHE 79 HD1 PHE 79 8.607 -15.466 16.620 483 HD2 PHE 79 HD2 PHE 79 5.340 -12.789 16.103 484 HE1 PHE 79 HE1 PHE 79 8.309 -15.367 19.060 485 HE2 PHE 79 HE2 PHE 79 5.036 -12.684 18.543 486 HZ PHE 79 HZ PHE 79 6.522 -13.974 20.024 487 H GLU 80 HN GLU 80 8.523 -10.708 15.088 488 HA GLU 80 HA GLU 80 11.014 -11.804 16.143 489 1HB GLU 80 HB2 GLU 80 12.443 -10.373 15.029 490 2HB GLU 80 HB1 GLU 80 11.267 -10.740 13.779 491 1HG GLU 80 HG2 GLU 80 11.396 -8.493 13.518 492 2HG GLU 80 HG1 GLU 80 10.111 -8.563 14.724 493 H ASN 81 HN ASN 81 12.024 -10.446 17.751 494 HA ASN 81 HA ASN 81 11.950 -9.199 19.651 495 1HB ASN 81 HB2 ASN 81 10.704 -7.526 17.578 496 2HB ASN 81 HB1 ASN 81 10.274 -7.075 19.225 497 1HD2 ASN 81 1HD2 ASN 81 13.295 -8.460 18.052 498 2HD2 ASN 81 2HD2 ASN 81 14.288 -7.114 18.485 499 H GLY 82 HN GLY 82 9.796 -11.248 18.998 500 1HA GLY 82 HA1 GLY 82 8.313 -10.943 21.401 501 2HA GLY 82 HA2 GLY 82 8.055 -12.173 20.174 502 H ASN 83 HN ASN 83 7.560 -10.348 18.000 503 HA ASN 83 HA ASN 83 4.812 -9.649 18.700 504 1HB ASN 83 HB2 ASN 83 5.233 -7.445 17.329 505 2HB ASN 83 HB1 ASN 83 5.611 -7.511 19.047 506 1HD2 ASN 83 1HD2 ASN 83 6.805 -6.998 15.918 507 2HD2 ASN 83 2HD2 ASN 83 8.472 -6.804 16.326 508 H TRP 84 HN TRP 84 3.376 -9.792 17.027 509 HA TRP 84 HA TRP 84 4.255 -11.235 14.696 510 1HB TRP 84 HB2 TRP 84 1.539 -10.227 15.563 511 2HB TRP 84 HB1 TRP 84 1.810 -11.153 14.091 512 HD1 TRP 84 HD1 TRP 84 0.777 -11.654 17.532 513 HE1 TRP 84 HE1 TRP 84 1.046 -14.111 18.252 514 HE3 TRP 84 HE3 TRP 84 3.765 -13.296 13.723 515 HZ2 TRP 84 HZ2 TRP 84 2.352 -16.437 17.328 516 HZ3 TRP 84 HZ3 TRP 84 4.480 -15.650 13.715 517 HH2 TRP 84 HH2 TRP 84 3.789 -17.187 15.482 518 H CYS 85 HN CYS 85 5.609 -9.697 13.709 519 HA CYS 85 HA CYS 85 4.352 -7.288 12.643 520 1HB CYS 85 HB2 CYS 85 6.970 -7.368 11.685 521 2HB CYS 85 HB1 CYS 85 6.379 -6.424 13.043 522 H GLY 86 HN GLY 86 4.577 -6.749 10.366 523 1HA GLY 86 HA1 GLY 86 3.784 -7.456 8.264 524 2HA GLY 86 HA2 GLY 86 4.123 -9.118 8.718 525 H ILE 87 HN ILE 87 5.049 -9.166 6.485 526 HA ILE 87 HA ILE 87 7.893 -8.784 6.659 527 HB ILE 87 HB ILE 87 6.136 -10.410 5.061 528 1HG1 ILE 87 2HG1 ILE 87 8.043 -11.837 4.936 529 2HG1 ILE 87 1HG1 ILE 87 9.144 -10.499 5.241 530 1HG2 ILE 87 2HG2 ILE 87 6.583 -8.801 3.267 531 2HG2 ILE 87 1HG2 ILE 87 8.318 -9.025 3.512 532 3HG2 ILE 87 3HG2 ILE 87 7.326 -10.368 2.945 533 1HD1 ILE 87 2HD1 ILE 87 7.147 -11.544 7.229 534 2HD1 ILE 87 1HD1 ILE 87 8.845 -12.010 7.160 535 3HD1 ILE 87 3HD1 ILE 87 8.407 -10.341 7.511 536 H LYS 88 HN LYS 88 9.189 -7.574 5.293 537 HA LYS 88 HA LYS 88 8.321 -4.980 4.775 538 1HB LYS 88 HB2 LYS 88 10.688 -6.299 3.473 539 2HB LYS 88 HB1 LYS 88 10.468 -4.590 3.827 540 1HG LYS 88 HG2 LYS 88 10.813 -6.804 5.831 541 2HG LYS 88 HG1 LYS 88 11.999 -5.569 5.409 542 1HD LYS 88 HD2 LYS 88 11.152 -4.541 7.237 543 2HD LYS 88 HD1 LYS 88 9.924 -4.001 6.091 544 1HE LYS 88 HE2 LYS 88 9.116 -4.992 8.301 545 2HE LYS 88 HE1 LYS 88 8.377 -5.602 6.823 546 1HZ LYS 88 HZ1 LYS 88 10.721 -7.024 7.809 547 2HZ LYS 88 HZ3 LYS 88 9.304 -7.187 8.716 548 3HZ LYS 88 HZ2 LYS 88 9.320 -7.627 7.086 549 H ASN 89 HN ASN 89 8.454 -3.864 2.669 550 HA ASN 89 HA ASN 89 6.603 -4.982 0.851 551 1HB ASN 89 HB2 ASN 89 7.178 -2.489 1.391 552 2HB ASN 89 HB1 ASN 89 8.380 -2.684 0.119 553 1HD2 ASN 89 1HD2 ASN 89 5.765 -1.175 0.431 554 2HD2 ASN 89 2HD2 ASN 89 4.898 -1.550 -1.014 555 H SER 90 HN SER 90 9.925 -5.412 1.208 556 HA SER 90 HA SER 90 10.654 -5.727 -1.522 557 1HB SER 90 HB2 SER 90 12.475 -5.238 -0.175 558 2HB SER 90 HB1 SER 90 11.924 -6.296 1.125 559 HG SER 90 HG SER 90 12.673 -8.040 0.034 560 H CYS 91 HN CYS 91 10.504 -8.176 1.057 561 HA CYS 91 HA CYS 91 10.207 -10.247 -0.959 562 1HB CYS 91 HB2 CYS 91 10.626 -10.370 2.023 563 2HB CYS 91 HB1 CYS 91 10.338 -11.798 1.040 564 H LYS 92 HN LYS 92 8.046 -8.744 -1.072 565 HA LYS 92 HA LYS 92 5.955 -10.250 0.347 566 1HB LYS 92 HB2 LYS 92 4.478 -8.290 -0.258 567 2HB LYS 92 HB1 LYS 92 5.744 -7.955 0.913 568 1HG LYS 92 HG2 LYS 92 6.030 -6.149 -0.406 569 2HG LYS 92 HG1 LYS 92 7.055 -7.269 -1.294 570 1HD LYS 92 HD2 LYS 92 5.705 -6.202 -2.905 571 2HD LYS 92 HD1 LYS 92 5.021 -7.816 -2.689 572 1HE LYS 92 HE2 LYS 92 3.197 -6.308 -2.729 573 2HE LYS 92 HE1 LYS 92 3.412 -6.801 -1.049 574 1HZ LYS 92 HZ2 LYS 92 4.715 -4.352 -2.030 575 2HZ LYS 92 HZ1 LYS 92 3.074 -4.317 -1.620 576 3HZ LYS 92 HZ3 LYS 92 4.228 -4.749 -0.460 577 H GLN 93 HN GLN 93 7.100 -9.088 -2.746 578 HA GLN 93 HA GLN 93 5.544 -11.130 -4.096 579 1HB GLN 93 HB2 GLN 93 5.167 -8.183 -4.627 580 2HB GLN 93 HB1 GLN 93 4.738 -9.418 -5.800 581 1HG GLN 93 HG2 GLN 93 3.631 -9.326 -3.007 582 2HG GLN 93 HG1 GLN 93 2.854 -8.569 -4.397 583 1HE2 GLN 93 1HE2 GLN 93 3.917 -11.629 -3.045 584 2HE2 GLN 93 2HE2 GLN 93 2.815 -12.620 -3.934 585 H GLN 94 HN GLN 94 5.983 -10.692 -6.639 586 HA GLN 94 HA GLN 94 8.883 -10.331 -6.865 587 1HB GLN 94 HB2 GLN 94 7.050 -12.356 -8.002 588 2HB GLN 94 HB1 GLN 94 8.354 -11.799 -9.044 589 1HG GLN 94 HG2 GLN 94 8.595 -13.085 -6.344 590 2HG GLN 94 HG1 GLN 94 9.040 -13.773 -7.904 591 1HE2 GLN 94 1HE2 GLN 94 10.937 -13.140 -8.888 592 2HE2 GLN 94 2HE2 GLN 94 12.156 -12.227 -8.073 593 HA PRO 95 HA PRO 95 7.324 -8.431 -10.973 594 1HB PRO 95 HB2 PRO 95 4.694 -8.643 -11.589 595 2HB PRO 95 HB1 PRO 95 5.870 -9.899 -12.002 596 1HG PRO 95 HG2 PRO 95 4.024 -9.761 -9.635 597 2HG PRO 95 HG1 PRO 95 4.302 -11.117 -10.742 598 1HD PRO 95 HD2 PRO 95 5.474 -11.006 -8.368 599 2HD PRO 95 HD1 PRO 95 6.335 -11.627 -9.790 600 H GLN 96 HN GLN 96 7.440 -7.128 -8.549 601 HA GLN 96 HA GLN 96 5.302 -5.685 -7.635 602 1HB GLN 96 HB2 GLN 96 7.017 -3.876 -7.122 603 2HB GLN 96 HB1 GLN 96 7.338 -5.476 -6.471 604 1HG GLN 96 HG2 GLN 96 9.394 -5.068 -7.299 605 2HG GLN 96 HG1 GLN 96 8.667 -5.685 -8.780 606 1HE2 GLN 96 1HE2 GLN 96 10.874 -3.772 -8.314 607 2HE2 GLN 96 2HE2 GLN 96 10.440 -2.352 -9.197 608 H ASN 97 HN ASN 97 7.018 -5.278 -10.634 609 HA ASN 97 HA ASN 97 6.423 -2.674 -11.322 610 1HB ASN 97 HB2 ASN 97 7.821 -4.336 -12.623 611 2HB ASN 97 HB1 ASN 97 6.315 -4.987 -13.260 612 1HD2 ASN 97 1HD2 ASN 97 7.592 -4.314 -15.246 613 2HD2 ASN 97 2HD2 ASN 97 7.280 -2.726 -15.850 614 H ASN 98 HN ASN 98 4.301 -5.423 -11.156 615 HA ASN 98 HA ASN 98 2.029 -3.681 -11.661 616 1HB ASN 98 HB2 ASN 98 2.887 -5.867 -13.473 617 2HB ASN 98 HB1 ASN 98 1.165 -5.782 -13.112 618 1HD2 ASN 98 1HD2 ASN 98 0.467 -3.295 -13.089 619 2HD2 ASN 98 2HD2 ASN 98 0.871 -2.467 -14.550 620 H ASN 99 HN ASN 99 0.139 -4.352 -10.673 621 HA ASN 99 HA ASN 99 0.436 -6.651 -8.861 622 1HB ASN 99 HB2 ASN 99 -0.908 -4.001 -8.597 623 2HB ASN 99 HB1 ASN 99 -1.606 -5.373 -7.742 624 1HD2 ASN 99 1HD2 ASN 99 -0.884 -3.576 -6.092 625 2HD2 ASN 99 2HD2 ASN 99 0.642 -3.884 -5.344 626 H GLN 100 HN GLN 100 -0.275 -8.196 -10.369 627 HA GLN 100 HA GLN 100 -1.744 -9.383 -11.659 628 1HB GLN 100 HB2 GLN 100 -3.975 -9.722 -10.489 629 2HB GLN 100 HB1 GLN 100 -2.536 -10.121 -9.564 630 1HG GLN 100 HG2 GLN 100 -2.698 -8.046 -8.342 631 2HG GLN 100 HG1 GLN 100 -4.073 -7.545 -9.325 632 1HE2 GLN 100 1HE2 GLN 100 -5.800 -9.426 -9.389 633 2HE2 GLN 100 2HE2 GLN 100 -6.266 -9.996 -7.826 No H/Q in entry = 633
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